data_18788 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18788 _Entry.PDB_ID 2M00 save_ save_delta_chem_shifts _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts _Entity_delta_chem_shifts.Model_type single _Entity_delta_chem_shifts.Entry_ID 18788 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 THR N N 2 120.300 120.300 114.900 5.400 18788 2 1 1 . 1 1 2 2 THR HA H 2 4.430 4.430 4.215 0.215 18788 3 1 1 . 1 1 2 2 THR C C 2 174.400 174.400 172.951 1.449 18788 4 1 1 . 1 1 2 2 THR CA C 2 62.100 62.100 62.397 -0.297 18788 5 1 1 . 1 1 2 2 THR CB C 2 69.900 69.900 69.014 0.886 18788 6 1 1 . 1 1 2 2 THR H H 2 8.320 8.320 8.085 0.235 18788 7 1 1 . 1 1 3 3 SER N N 3 118.700 118.700 119.630 -0.930 18788 8 1 1 . 1 1 3 3 SER HA H 3 5.000 5.000 4.703 0.297 18788 9 1 1 . 1 1 3 3 SER CA C 3 58.400 58.400 57.802 0.598 18788 10 1 1 . 1 1 3 3 SER CB C 3 68.800 68.800 65.461 3.339 18788 11 1 1 . 1 1 3 3 SER H H 3 8.520 8.520 8.273 0.247 18788 12 1 1 . 1 1 4 4 THR HA H 4 4.380 4.380 4.441 -0.061 18788 13 1 1 . 1 1 4 4 THR C C 4 174.400 174.400 173.912 0.488 18788 14 1 1 . 1 1 4 4 THR CA C 4 62.000 62.000 62.126 -0.126 18788 15 1 1 . 1 1 4 4 THR CB C 4 69.700 69.700 69.667 0.033 18788 16 1 1 . 1 1 5 5 LYS N N 5 124.000 124.000 124.789 -0.789 18788 17 1 1 . 1 1 5 5 LYS HA H 5 4.370 4.370 4.063 0.307 18788 18 1 1 . 1 1 5 5 LYS C C 5 176.100 176.100 175.235 0.865 18788 19 1 1 . 1 1 5 5 LYS CA C 5 56.500 56.500 56.639 -0.139 18788 20 1 1 . 1 1 5 5 LYS CB C 5 32.900 32.900 33.142 -0.242 18788 21 1 1 . 1 1 5 5 LYS H H 5 8.320 8.320 8.446 -0.126 18788 22 1 1 . 1 1 6 6 LYS N N 6 122.500 122.500 122.606 -0.106 18788 23 1 1 . 1 1 6 6 LYS HA H 6 4.400 4.400 4.341 0.059 18788 24 1 1 . 1 1 6 6 LYS C C 6 176.200 176.200 176.343 -0.143 18788 25 1 1 . 1 1 6 6 LYS CA C 6 55.900 55.900 56.125 -0.225 18788 26 1 1 . 1 1 6 6 LYS CB C 6 33.600 33.600 32.291 1.309 18788 27 1 1 . 1 1 6 6 LYS H H 6 8.220 8.220 8.400 -0.180 18788 28 1 1 . 1 1 7 7 LEU N N 7 122.200 122.200 120.337 1.863 18788 29 1 1 . 1 1 7 7 LEU HA H 7 4.550 4.550 4.135 0.415 18788 30 1 1 . 1 1 7 7 LEU C C 7 176.600 176.600 176.129 0.471 18788 31 1 1 . 1 1 7 7 LEU CA C 7 54.800 54.800 56.345 -1.545 18788 32 1 1 . 1 1 7 7 LEU CB C 7 41.500 41.500 41.702 -0.202 18788 33 1 1 . 1 1 7 7 LEU H H 7 8.340 8.340 8.488 -0.148 18788 34 1 1 . 1 1 8 8 HIS N N 8 119.200 119.200 116.019 3.181 18788 35 1 1 . 1 1 8 8 HIS HA H 8 4.990 4.990 4.966 0.024 18788 36 1 1 . 1 1 8 8 HIS C C 8 173.700 173.700 173.745 -0.045 18788 37 1 1 . 1 1 8 8 HIS CA C 8 55.300 55.300 54.404 0.896 18788 38 1 1 . 1 1 8 8 HIS CB C 8 32.200 32.200 31.980 0.220 18788 39 1 1 . 1 1 8 8 HIS H H 8 8.860 8.860 8.290 0.570 18788 40 1 1 . 1 1 9 9 LYS N N 9 124.000 124.000 124.753 -0.753 18788 41 1 1 . 1 1 9 9 LYS HA H 9 4.840 4.840 4.895 -0.055 18788 42 1 1 . 1 1 9 9 LYS C C 9 176.400 176.400 176.655 -0.255 18788 43 1 1 . 1 1 9 9 LYS CA C 9 55.700 55.700 55.150 0.550 18788 44 1 1 . 1 1 9 9 LYS CB C 9 34.700 34.700 33.683 1.017 18788 45 1 1 . 1 1 9 9 LYS H H 9 8.480 8.480 8.712 -0.232 18788 46 1 1 . 1 1 10 10 GLU N N 10 123.100 123.100 123.785 -0.685 18788 47 1 1 . 1 1 10 10 GLU HA H 10 5.060 5.060 4.980 0.080 18788 48 1 1 . 1 1 10 10 GLU C C 10 173.200 173.200 174.207 -1.007 18788 49 1 1 . 1 1 10 10 GLU CA C 10 53.400 53.400 53.044 0.356 18788 50 1 1 . 1 1 10 10 GLU CB C 10 33.000 33.000 31.679 1.321 18788 51 1 1 . 1 1 10 10 GLU H H 10 9.390 9.390 8.787 0.603 18788 52 1 1 . 1 1 11 11 PRO HA H 11 4.900 4.900 4.654 0.246 18788 53 1 1 . 1 1 11 11 PRO C C 11 175.400 175.400 175.589 -0.189 18788 54 1 1 . 1 1 11 11 PRO CA C 11 63.100 63.100 62.963 0.137 18788 55 1 1 . 1 1 11 11 PRO CB C 11 33.000 33.000 32.343 0.657 18788 56 1 1 . 1 1 12 12 ALA N N 12 119.700 119.700 124.211 -4.511 18788 57 1 1 . 1 1 12 12 ALA HA H 12 4.990 4.990 5.266 -0.276 18788 58 1 1 . 1 1 12 12 ALA C C 12 175.400 175.400 175.662 -0.262 18788 59 1 1 . 1 1 12 12 ALA CA C 12 51.600 51.600 50.948 0.652 18788 60 1 1 . 1 1 12 12 ALA CB C 12 24.600 24.600 23.487 1.113 18788 61 1 1 . 1 1 12 12 ALA H H 12 8.070 8.070 8.727 -0.657 18788 62 1 1 . 1 1 13 13 THR N N 13 109.100 109.100 114.029 -4.929 18788 63 1 1 . 1 1 13 13 THR HA H 13 4.700 4.700 4.672 0.028 18788 64 1 1 . 1 1 13 13 THR C C 13 174.000 174.000 173.033 0.967 18788 65 1 1 . 1 1 13 13 THR CA C 13 60.700 60.700 61.873 -1.173 18788 66 1 1 . 1 1 13 13 THR CB C 13 71.600 71.600 72.618 -1.018 18788 67 1 1 . 1 1 13 13 THR H H 13 8.090 8.090 8.356 -0.266 18788 68 1 1 . 1 1 14 14 LEU N N 14 125.200 125.200 127.151 -1.951 18788 69 1 1 . 1 1 14 14 LEU HA H 14 4.140 4.140 4.270 -0.130 18788 70 1 1 . 1 1 14 14 LEU C C 14 176.700 176.700 175.783 0.917 18788 71 1 1 . 1 1 14 14 LEU CA C 14 56.800 56.800 55.975 0.825 18788 72 1 1 . 1 1 14 14 LEU CB C 14 42.900 42.900 42.795 0.105 18788 73 1 1 . 1 1 14 14 LEU H H 14 9.150 9.150 8.800 0.350 18788 74 1 1 . 1 1 15 15 ILE N N 15 125.200 125.200 125.255 -0.055 18788 75 1 1 . 1 1 15 15 ILE HA H 15 4.220 4.220 4.141 0.079 18788 76 1 1 . 1 1 15 15 ILE C C 15 175.900 175.900 175.649 0.251 18788 77 1 1 . 1 1 15 15 ILE CA C 15 64.300 64.300 62.896 1.404 18788 78 1 1 . 1 1 15 15 ILE CB C 15 38.700 38.700 39.341 -0.641 18788 79 1 1 . 1 1 15 15 ILE H H 15 8.460 8.460 8.527 -0.067 18788 80 1 1 . 1 1 16 16 LYS N N 16 114.100 114.100 116.974 -2.874 18788 81 1 1 . 1 1 16 16 LYS HA H 16 4.460 4.460 4.546 -0.086 18788 82 1 1 . 1 1 16 16 LYS C C 16 174.000 174.000 173.894 0.106 18788 83 1 1 . 1 1 16 16 LYS CA C 16 56.600 56.600 54.578 2.022 18788 84 1 1 . 1 1 16 16 LYS CB C 16 35.300 35.300 35.721 -0.421 18788 85 1 1 . 1 1 16 16 LYS H H 16 8.050 8.050 8.225 -0.175 18788 86 1 1 . 1 1 17 17 ALA N N 17 129.100 129.100 126.006 3.094 18788 87 1 1 . 1 1 17 17 ALA HA H 17 4.480 4.480 4.521 -0.041 18788 88 1 1 . 1 1 17 17 ALA C C 17 175.700 175.700 177.168 -1.468 18788 89 1 1 . 1 1 17 17 ALA CA C 17 52.300 52.300 51.592 0.708 18788 90 1 1 . 1 1 17 17 ALA CB C 17 18.200 18.200 19.019 -0.819 18788 91 1 1 . 1 1 17 17 ALA H H 17 9.470 9.470 8.617 0.853 18788 92 1 1 . 1 1 18 18 ILE N N 18 123.500 123.500 124.647 -1.147 18788 93 1 1 . 1 1 18 18 ILE HA H 18 4.110 4.110 3.823 0.287 18788 94 1 1 . 1 1 18 18 ILE C C 18 175.100 175.100 176.315 -1.215 18788 95 1 1 . 1 1 18 18 ILE CA C 18 63.200 63.200 64.338 -1.138 18788 96 1 1 . 1 1 18 18 ILE CB C 18 37.800 37.800 38.565 -0.765 18788 97 1 1 . 1 1 18 18 ILE H H 18 8.070 8.070 8.193 -0.123 18788 98 1 1 . 1 1 19 19 ASP N N 19 120.500 120.500 114.760 5.740 18788 99 1 1 . 1 1 19 19 ASP HA H 19 4.730 4.730 4.714 0.016 18788 100 1 1 . 1 1 19 19 ASP C C 19 176.800 176.800 175.623 1.177 18788 101 1 1 . 1 1 19 19 ASP CA C 19 53.400 53.400 53.312 0.088 18788 102 1 1 . 1 1 19 19 ASP CB C 19 40.100 40.100 43.353 -3.253 18788 103 1 1 . 1 1 19 19 ASP H H 19 8.290 8.290 8.005 0.285 18788 104 1 1 . 1 1 20 20 GLY N N 20 103.500 103.500 106.908 -3.408 18788 105 1 1 . 1 1 20 20 GLY C C 20 173.300 173.300 175.212 -1.912 18788 106 1 1 . 1 1 20 20 GLY CA C 20 47.700 47.700 47.237 0.463 18788 107 1 1 . 1 1 20 20 GLY H H 20 8.460 8.460 8.752 -0.292 18788 108 1 1 . 1 1 21 21 ASP N N 21 111.200 111.200 116.323 -5.123 18788 109 1 1 . 1 1 21 21 ASP HA H 21 4.850 4.850 4.658 0.192 18788 110 1 1 . 1 1 21 21 ASP C C 21 175.300 175.300 174.945 0.355 18788 111 1 1 . 1 1 21 21 ASP CA C 21 52.100 52.100 54.111 -2.011 18788 112 1 1 . 1 1 21 21 ASP CB C 21 40.600 40.600 40.790 -0.190 18788 113 1 1 . 1 1 21 21 ASP H H 21 7.640 7.640 8.531 -0.891 18788 114 1 1 . 1 1 22 22 THR N N 22 113.200 113.200 115.391 -2.191 18788 115 1 1 . 1 1 22 22 THR HA H 22 5.700 5.700 5.389 0.311 18788 116 1 1 . 1 1 22 22 THR C C 22 174.000 174.000 173.124 0.876 18788 117 1 1 . 1 1 22 22 THR CA C 22 61.000 61.000 61.557 -0.557 18788 118 1 1 . 1 1 22 22 THR CB C 22 71.800 71.800 70.904 0.896 18788 119 1 1 . 1 1 22 22 THR H H 22 7.610 7.610 7.435 0.175 18788 120 1 1 . 1 1 23 23 VAL N N 23 118.000 118.000 119.782 -1.782 18788 121 1 1 . 1 1 23 23 VAL HA H 23 4.620 4.620 4.839 -0.219 18788 122 1 1 . 1 1 23 23 VAL C C 23 172.100 172.100 173.261 -1.161 18788 123 1 1 . 1 1 23 23 VAL CA C 23 60.100 60.100 59.352 0.748 18788 124 1 1 . 1 1 23 23 VAL CB C 23 36.200 36.200 35.563 0.637 18788 125 1 1 . 1 1 23 23 VAL H H 23 8.910 8.910 9.178 -0.268 18788 126 1 1 . 1 1 24 24 LYS N N 24 127.000 127.000 123.104 3.896 18788 127 1 1 . 1 1 24 24 LYS HA H 24 5.440 5.440 5.387 0.053 18788 128 1 1 . 1 1 24 24 LYS C C 24 175.200 175.200 174.943 0.257 18788 129 1 1 . 1 1 24 24 LYS CA C 24 55.600 55.600 55.066 0.534 18788 130 1 1 . 1 1 24 24 LYS CB C 24 34.400 34.400 34.860 -0.460 18788 131 1 1 . 1 1 24 24 LYS H H 24 9.470 9.470 9.008 0.462 18788 132 1 1 . 1 1 25 25 LEU N N 25 127.000 127.000 122.966 4.034 18788 133 1 1 . 1 1 25 25 LEU HA H 25 5.210 5.210 5.002 0.208 18788 134 1 1 . 1 1 25 25 LEU C C 25 174.500 174.500 174.837 -0.337 18788 135 1 1 . 1 1 25 25 LEU CA C 25 53.100 53.100 52.996 0.104 18788 136 1 1 . 1 1 25 25 LEU CB C 25 45.500 45.500 45.148 0.352 18788 137 1 1 . 1 1 25 25 LEU H H 25 9.380 9.380 9.206 0.174 18788 138 1 1 . 1 1 26 26 MET N N 26 122.000 122.000 119.959 2.041 18788 139 1 1 . 1 1 26 26 MET HA H 26 4.880 4.880 4.908 -0.028 18788 140 1 1 . 1 1 26 26 MET C C 26 175.100 175.100 174.496 0.604 18788 141 1 1 . 1 1 26 26 MET CA C 26 54.700 54.700 55.232 -0.532 18788 142 1 1 . 1 1 26 26 MET CB C 26 31.400 31.400 33.528 -2.128 18788 143 1 1 . 1 1 26 26 MET H H 26 9.530 9.530 9.021 0.509 18788 144 1 1 . 1 1 27 27 TYR N N 27 129.600 129.600 129.708 -0.108 18788 145 1 1 . 1 1 27 27 TYR HA H 27 5.050 5.050 4.863 0.187 18788 146 1 1 . 1 1 27 27 TYR C C 27 173.900 173.900 175.062 -1.162 18788 147 1 1 . 1 1 27 27 TYR CA C 27 57.000 57.000 56.588 0.412 18788 148 1 1 . 1 1 27 27 TYR CB C 27 41.700 41.700 39.018 2.682 18788 149 1 1 . 1 1 27 27 TYR H H 27 9.040 9.040 9.453 -0.413 18788 150 1 1 . 1 1 28 28 LYS N N 28 127.600 127.600 127.104 0.496 18788 151 1 1 . 1 1 28 28 LYS HA H 28 3.590 3.590 3.857 -0.267 18788 152 1 1 . 1 1 28 28 LYS C C 28 176.900 176.900 175.976 0.924 18788 153 1 1 . 1 1 28 28 LYS CA C 28 57.100 57.100 57.066 0.035 18788 154 1 1 . 1 1 28 28 LYS CB C 28 29.700 29.700 30.864 -1.164 18788 155 1 1 . 1 1 28 28 LYS H H 28 9.310 9.310 9.030 0.280 18788 156 1 1 . 1 1 29 29 GLY N N 29 102.400 102.400 103.401 -1.001 18788 157 1 1 . 1 1 29 29 GLY C C 29 173.600 173.600 173.422 0.178 18788 158 1 1 . 1 1 29 29 GLY CA C 29 45.600 45.600 45.122 0.478 18788 159 1 1 . 1 1 29 29 GLY H H 29 8.450 8.450 8.328 0.122 18788 160 1 1 . 1 1 30 30 GLN N N 30 119.300 119.300 118.331 0.969 18788 161 1 1 . 1 1 30 30 GLN HA H 30 5.030 5.030 4.881 0.149 18788 162 1 1 . 1 1 30 30 GLN C C 30 173.200 173.200 173.112 0.088 18788 163 1 1 . 1 1 30 30 GLN CA C 30 52.200 52.200 52.030 0.170 18788 164 1 1 . 1 1 30 30 GLN CB C 30 31.200 31.200 29.876 1.324 18788 165 1 1 . 1 1 30 30 GLN H H 30 7.820 7.820 7.722 0.098 18788 166 1 1 . 1 1 31 31 PRO HA H 31 4.880 4.880 4.977 -0.097 18788 167 1 1 . 1 1 31 31 PRO C C 31 177.400 177.400 175.994 1.406 18788 168 1 1 . 1 1 31 31 PRO CA C 31 62.600 62.600 62.937 -0.337 18788 169 1 1 . 1 1 31 31 PRO CB C 31 31.900 31.900 32.123 -0.223 18788 170 1 1 . 1 1 32 32 MET N N 32 125.700 125.700 125.629 0.071 18788 171 1 1 . 1 1 32 32 MET HA H 32 4.670 4.670 4.938 -0.268 18788 172 1 1 . 1 1 32 32 MET C C 32 174.600 174.600 174.422 0.178 18788 173 1 1 . 1 1 32 32 MET CA C 32 55.800 55.800 54.636 1.164 18788 174 1 1 . 1 1 32 32 MET CB C 32 37.200 37.200 37.175 0.026 18788 175 1 1 . 1 1 32 32 MET H H 32 9.570 9.570 9.360 0.210 18788 176 1 1 . 1 1 33 33 THR N N 33 123.600 123.600 122.940 0.660 18788 177 1 1 . 1 1 33 33 THR HA H 33 4.510 4.510 5.000 -0.490 18788 178 1 1 . 1 1 33 33 THR C C 33 173.100 173.100 173.904 -0.804 18788 179 1 1 . 1 1 33 33 THR CA C 33 64.300 64.300 62.782 1.518 18788 180 1 1 . 1 1 33 33 THR CB C 33 68.800 68.800 69.310 -0.510 18788 181 1 1 . 1 1 33 33 THR H H 33 8.990 8.990 8.595 0.395 18788 182 1 1 . 1 1 34 34 PHE N N 34 126.100 126.100 126.887 -0.787 18788 183 1 1 . 1 1 34 34 PHE HA H 34 4.890 4.890 5.189 -0.299 18788 184 1 1 . 1 1 34 34 PHE C C 34 173.400 173.400 174.085 -0.685 18788 185 1 1 . 1 1 34 34 PHE CA C 34 57.300 57.300 56.903 0.397 18788 186 1 1 . 1 1 34 34 PHE CB C 34 41.900 41.900 42.780 -0.880 18788 187 1 1 . 1 1 34 34 PHE H H 34 9.610 9.610 9.581 0.029 18788 188 1 1 . 1 1 35 35 ARG N N 35 124.200 124.200 121.711 2.489 18788 189 1 1 . 1 1 35 35 ARG HA H 35 5.080 5.080 5.318 -0.238 18788 190 1 1 . 1 1 35 35 ARG C C 35 174.600 174.600 176.268 -1.668 18788 191 1 1 . 1 1 35 35 ARG CA C 35 52.100 52.100 54.284 -2.184 18788 192 1 1 . 1 1 35 35 ARG CB C 35 33.600 33.600 33.887 -0.287 18788 193 1 1 . 1 1 35 35 ARG H H 35 9.640 9.640 8.746 0.894 18788 194 1 1 . 1 1 38 38 LEU HA H 38 4.330 4.330 4.201 0.129 18788 195 1 1 . 1 1 38 38 LEU C C 38 175.200 175.200 176.972 -1.772 18788 196 1 1 . 1 1 38 38 LEU CA C 38 56.600 56.600 57.175 -0.575 18788 197 1 1 . 1 1 38 38 LEU CB C 38 40.100 40.100 42.429 -2.329 18788 198 1 1 . 1 1 39 39 VAL N N 39 104.500 104.500 111.553 -7.053 18788 199 1 1 . 1 1 39 39 VAL HA H 39 5.580 5.580 5.008 0.572 18788 200 1 1 . 1 1 39 39 VAL C C 39 175.600 175.600 175.072 0.528 18788 201 1 1 . 1 1 39 39 VAL CA C 39 57.800 57.800 59.431 -1.631 18788 202 1 1 . 1 1 39 39 VAL CB C 39 36.400 36.400 33.932 2.468 18788 203 1 1 . 1 1 39 39 VAL H H 39 6.920 6.920 7.399 -0.479 18788 204 1 1 . 1 1 40 40 ASP N N 40 121.500 121.500 125.846 -4.346 18788 205 1 1 . 1 1 40 40 ASP HA H 40 5.260 5.260 4.963 0.297 18788 206 1 1 . 1 1 40 40 ASP C C 40 174.600 174.600 175.766 -1.166 18788 207 1 1 . 1 1 40 40 ASP CA C 40 54.100 54.100 52.992 1.108 18788 208 1 1 . 1 1 40 40 ASP CB C 40 44.100 44.100 44.215 -0.115 18788 209 1 1 . 1 1 40 40 ASP H H 40 8.880 8.880 9.128 -0.248 18788 210 1 1 . 1 1 41 41 THR N N 41 118.700 118.700 117.445 1.255 18788 211 1 1 . 1 1 41 41 THR HA H 41 5.020 5.020 4.803 0.217 18788 212 1 1 . 1 1 41 41 THR CA C 41 58.300 58.300 59.205 -0.905 18788 213 1 1 . 1 1 41 41 THR CB C 41 68.900 68.900 68.606 0.294 18788 214 1 1 . 1 1 41 41 THR H H 41 8.520 8.520 8.256 0.264 18788 215 1 1 . 1 1 42 42 PRO HA H 42 4.440 4.440 4.540 -0.100 18788 216 1 1 . 1 1 42 42 PRO CA C 42 62.200 62.200 62.409 -0.209 18788 217 1 1 . 1 1 42 42 PRO CB C 42 32.300 32.300 32.550 -0.250 18788 218 1 1 . 1 1 50 50 GLY C C 50 179.800 179.800 173.489 6.311 18788 219 1 1 . 1 1 51 51 VAL N N 51 119.200 119.200 117.267 1.933 18788 220 1 1 . 1 1 51 51 VAL HA H 51 4.160 4.160 4.382 -0.222 18788 221 1 1 . 1 1 51 51 VAL C C 51 178.600 178.600 175.835 2.765 18788 222 1 1 . 1 1 51 51 VAL CA C 51 63.500 63.500 61.115 2.385 18788 223 1 1 . 1 1 51 51 VAL H H 51 7.820 7.820 7.730 0.090 18788 224 1 1 . 1 1 54 54 TYR C C 54 176.300 176.300 174.970 1.330 18788 225 1 1 . 1 1 55 55 GLY N N 55 108.900 108.900 112.843 -3.943 18788 226 1 1 . 1 1 55 55 GLY C C 55 174.300 174.300 172.597 1.703 18788 227 1 1 . 1 1 55 55 GLY CA C 55 48.400 48.400 44.289 4.111 18788 228 1 1 . 1 1 55 55 GLY H H 55 8.810 8.810 8.172 0.638 18788 229 1 1 . 1 1 57 57 GLU HA H 57 4.010 4.010 3.936 0.074 18788 230 1 1 . 1 1 57 57 GLU C C 57 179.500 179.500 177.743 1.757 18788 231 1 1 . 1 1 57 57 GLU CA C 57 61.700 61.700 57.258 4.442 18788 232 1 1 . 1 1 58 58 ALA N N 58 125.000 125.000 123.065 1.935 18788 233 1 1 . 1 1 58 58 ALA HA H 58 4.170 4.170 3.933 0.237 18788 234 1 1 . 1 1 58 58 ALA C C 58 178.700 178.700 179.083 -0.383 18788 235 1 1 . 1 1 58 58 ALA CA C 58 55.800 55.800 55.187 0.613 18788 236 1 1 . 1 1 58 58 ALA CB C 58 18.200 18.200 18.650 -0.450 18788 237 1 1 . 1 1 58 58 ALA H H 58 8.940 8.940 8.797 0.143 18788 238 1 1 . 1 1 59 59 SER N N 59 111.900 111.900 114.938 -3.038 18788 239 1 1 . 1 1 59 59 SER HA H 59 3.740 3.740 4.020 -0.280 18788 240 1 1 . 1 1 59 59 SER C C 59 177.100 177.100 176.640 0.460 18788 241 1 1 . 1 1 59 59 SER CA C 59 62.000 62.000 62.218 -0.218 18788 242 1 1 . 1 1 59 59 SER CB C 59 62.900 62.900 62.438 0.462 18788 243 1 1 . 1 1 59 59 SER H H 59 8.340 8.340 8.570 -0.230 18788 244 1 1 . 1 1 60 60 ALA N N 60 122.900 122.900 123.504 -0.604 18788 245 1 1 . 1 1 60 60 ALA HA H 60 4.070 4.070 4.223 -0.153 18788 246 1 1 . 1 1 60 60 ALA C C 60 179.100 179.100 178.860 0.240 18788 247 1 1 . 1 1 60 60 ALA CA C 60 55.100 55.100 54.196 0.904 18788 248 1 1 . 1 1 60 60 ALA CB C 60 18.200 18.200 18.515 -0.315 18788 249 1 1 . 1 1 60 60 ALA H H 60 8.440 8.440 7.543 0.897 18788 250 1 1 . 1 1 61 61 PHE N N 61 121.700 121.700 120.015 1.685 18788 251 1 1 . 1 1 61 61 PHE HA H 61 4.050 4.050 4.142 -0.092 18788 252 1 1 . 1 1 61 61 PHE C C 61 178.100 178.100 177.193 0.907 18788 253 1 1 . 1 1 61 61 PHE CA C 61 61.800 61.800 62.322 -0.522 18788 254 1 1 . 1 1 61 61 PHE CB C 61 39.800 39.800 39.314 0.486 18788 255 1 1 . 1 1 61 61 PHE H H 61 8.190 8.190 8.521 -0.331 18788 256 1 1 . 1 1 62 62 THR N N 62 120.200 120.200 115.649 4.551 18788 257 1 1 . 1 1 62 62 THR HA H 62 3.560 3.560 3.946 -0.386 18788 258 1 1 . 1 1 62 62 THR C C 62 175.300 175.300 176.128 -0.828 18788 259 1 1 . 1 1 62 62 THR CA C 62 67.600 67.600 67.519 0.081 18788 260 1 1 . 1 1 62 62 THR CB C 62 68.400 68.400 68.446 -0.046 18788 261 1 1 . 1 1 62 62 THR H H 62 8.540 8.540 8.642 -0.102 18788 262 1 1 . 1 1 63 63 LYS N N 63 120.000 120.000 121.876 -1.876 18788 263 1 1 . 1 1 63 63 LYS HA H 63 3.560 3.560 3.811 -0.251 18788 264 1 1 . 1 1 63 63 LYS C C 63 176.800 176.800 178.557 -1.757 18788 265 1 1 . 1 1 63 63 LYS CA C 63 60.400 60.400 59.991 0.409 18788 266 1 1 . 1 1 63 63 LYS CB C 63 33.300 33.300 32.346 0.954 18788 267 1 1 . 1 1 63 63 LYS H H 63 7.910 7.910 7.607 0.303 18788 268 1 1 . 1 1 64 64 LYS N N 64 117.200 117.200 118.601 -1.401 18788 269 1 1 . 1 1 64 64 LYS HA H 64 3.940 3.940 4.003 -0.063 18788 270 1 1 . 1 1 64 64 LYS C C 64 178.700 178.700 179.260 -0.560 18788 271 1 1 . 1 1 64 64 LYS CA C 64 59.200 59.200 59.363 -0.163 18788 272 1 1 . 1 1 64 64 LYS CB C 64 31.900 31.900 32.199 -0.299 18788 273 1 1 . 1 1 64 64 LYS H H 64 8.000 8.000 8.243 -0.243 18788 274 1 1 . 1 1 65 65 MET N N 65 116.200 116.200 117.545 -1.345 18788 275 1 1 . 1 1 65 65 MET HA H 65 3.890 3.890 4.149 -0.259 18788 276 1 1 . 1 1 65 65 MET C C 65 179.200 179.200 178.154 1.046 18788 277 1 1 . 1 1 65 65 MET CA C 65 59.800 59.800 58.698 1.102 18788 278 1 1 . 1 1 65 65 MET CB C 65 32.200 32.200 32.610 -0.410 18788 279 1 1 . 1 1 65 65 MET H H 65 7.680 7.680 7.768 -0.088 18788 280 1 1 . 1 1 66 66 VAL N N 66 107.700 107.700 114.155 -6.455 18788 281 1 1 . 1 1 66 66 VAL HA H 66 4.150 4.150 3.926 0.224 18788 282 1 1 . 1 1 66 66 VAL C C 66 177.500 177.500 177.366 0.134 18788 283 1 1 . 1 1 66 66 VAL CA C 66 64.300 64.300 64.854 -0.554 18788 284 1 1 . 1 1 66 66 VAL CB C 66 31.100 31.100 31.640 -0.540 18788 285 1 1 . 1 1 66 66 VAL H H 66 8.220 8.220 7.883 0.337 18788 286 1 1 . 1 1 67 67 GLU N N 67 121.000 121.000 118.440 2.560 18788 287 1 1 . 1 1 67 67 GLU HA H 67 3.960 3.960 4.119 -0.159 18788 288 1 1 . 1 1 67 67 GLU C C 67 178.000 178.000 177.673 0.327 18788 289 1 1 . 1 1 67 67 GLU CA C 67 59.200 59.200 58.633 0.568 18788 290 1 1 . 1 1 67 67 GLU CB C 67 29.100 29.100 29.742 -0.642 18788 291 1 1 . 1 1 67 67 GLU H H 67 8.750 8.750 8.015 0.735 18788 292 1 1 . 1 1 68 68 ASN N N 68 113.400 113.400 116.316 -2.916 18788 293 1 1 . 1 1 68 68 ASN HA H 68 4.660 4.660 4.711 -0.051 18788 294 1 1 . 1 1 68 68 ASN C C 68 174.600 174.600 174.310 0.290 18788 295 1 1 . 1 1 68 68 ASN CA C 68 53.400 53.400 54.263 -0.863 18788 296 1 1 . 1 1 68 68 ASN CB C 68 38.900 38.900 39.591 -0.691 18788 297 1 1 . 1 1 68 68 ASN H H 68 7.400 7.400 7.925 -0.525 18788 298 1 1 . 1 1 69 69 ALA N N 69 121.100 121.100 122.133 -1.033 18788 299 1 1 . 1 1 69 69 ALA HA H 69 4.490 4.490 4.328 0.162 18788 300 1 1 . 1 1 69 69 ALA C C 69 177.800 177.800 177.606 0.194 18788 301 1 1 . 1 1 69 69 ALA CA C 69 51.400 51.400 52.562 -1.161 18788 302 1 1 . 1 1 69 69 ALA CB C 69 19.200 19.200 18.986 0.214 18788 303 1 1 . 1 1 69 69 ALA H H 69 6.680 6.680 7.223 -0.543 18788 304 1 1 . 1 1 70 70 LYS N N 70 125.700 125.700 123.979 1.721 18788 305 1 1 . 1 1 70 70 LYS HA H 70 4.370 4.370 4.151 0.219 18788 306 1 1 . 1 1 70 70 LYS C C 70 177.800 177.800 177.271 0.529 18788 307 1 1 . 1 1 70 70 LYS CA C 70 57.800 57.800 57.432 0.368 18788 308 1 1 . 1 1 70 70 LYS CB C 70 32.000 32.000 32.875 -0.875 18788 309 1 1 . 1 1 70 70 LYS H H 70 10.130 10.130 9.160 0.970 18788 310 1 1 . 1 1 71 71 LYS N N 71 121.300 121.300 117.920 3.380 18788 311 1 1 . 1 1 71 71 LYS HA H 71 4.660 4.660 4.530 0.130 18788 312 1 1 . 1 1 71 71 LYS C C 71 174.600 174.600 174.469 0.131 18788 313 1 1 . 1 1 71 71 LYS CA C 71 55.500 55.500 55.610 -0.110 18788 314 1 1 . 1 1 71 71 LYS CB C 71 35.400 35.400 34.583 0.817 18788 315 1 1 . 1 1 71 71 LYS H H 71 8.920 8.920 7.589 1.331 18788 316 1 1 . 1 1 72 72 ILE N N 72 128.900 128.900 125.032 3.868 18788 317 1 1 . 1 1 72 72 ILE HA H 72 5.240 5.240 5.130 0.110 18788 318 1 1 . 1 1 72 72 ILE C C 72 175.300 175.300 174.791 0.509 18788 319 1 1 . 1 1 72 72 ILE CA C 72 58.700 58.700 60.190 -1.490 18788 320 1 1 . 1 1 72 72 ILE CB C 72 38.100 38.100 39.819 -1.719 18788 321 1 1 . 1 1 72 72 ILE H H 72 8.960 8.960 8.863 0.097 18788 322 1 1 . 1 1 73 73 GLU N N 73 123.100 123.100 126.723 -3.623 18788 323 1 1 . 1 1 73 73 GLU HA H 73 5.240 5.240 5.302 -0.062 18788 324 1 1 . 1 1 73 73 GLU C C 73 174.900 174.900 175.525 -0.625 18788 325 1 1 . 1 1 73 73 GLU CA C 73 53.600 53.600 54.212 -0.613 18788 326 1 1 . 1 1 73 73 GLU CB C 73 36.200 36.200 33.641 2.559 18788 327 1 1 . 1 1 73 73 GLU H H 73 8.810 8.810 9.114 -0.304 18788 328 1 1 . 1 1 74 74 VAL N N 74 117.300 117.300 117.992 -0.692 18788 329 1 1 . 1 1 74 74 VAL HA H 74 4.550 4.550 4.647 -0.097 18788 330 1 1 . 1 1 74 74 VAL C C 74 174.000 174.000 174.237 -0.237 18788 331 1 1 . 1 1 74 74 VAL CA C 74 59.500 59.500 59.646 -0.146 18788 332 1 1 . 1 1 74 74 VAL CB C 74 34.200 34.200 32.884 1.316 18788 333 1 1 . 1 1 74 74 VAL H H 74 9.510 9.510 9.039 0.471 18788 334 1 1 . 1 1 75 75 GLU N N 75 126.900 126.900 127.839 -0.939 18788 335 1 1 . 1 1 75 75 GLU HA H 75 5.160 5.160 5.073 0.087 18788 336 1 1 . 1 1 75 75 GLU C C 75 175.600 175.600 175.663 -0.063 18788 337 1 1 . 1 1 75 75 GLU CA C 75 54.500 54.500 53.923 0.577 18788 338 1 1 . 1 1 75 75 GLU CB C 75 35.900 35.900 32.146 3.754 18788 339 1 1 . 1 1 75 75 GLU H H 75 8.860 8.860 8.873 -0.013 18788 340 1 1 . 1 1 76 76 PHE N N 76 126.400 126.400 127.281 -0.881 18788 341 1 1 . 1 1 76 76 PHE HA H 76 4.740 4.740 5.004 -0.264 18788 342 1 1 . 1 1 76 76 PHE C C 76 175.600 175.600 175.978 -0.378 18788 343 1 1 . 1 1 76 76 PHE CA C 76 59.500 59.500 58.996 0.504 18788 344 1 1 . 1 1 76 76 PHE CB C 76 39.700 39.700 39.910 -0.210 18788 345 1 1 . 1 1 76 76 PHE H H 76 8.770 8.770 8.546 0.224 18788 346 1 1 . 1 1 77 77 ASP N N 77 123.000 123.000 123.385 -0.385 18788 347 1 1 . 1 1 77 77 ASP HA H 77 5.310 5.310 4.978 0.332 18788 348 1 1 . 1 1 77 77 ASP C C 77 177.600 177.600 176.855 0.745 18788 349 1 1 . 1 1 77 77 ASP CA C 77 51.800 51.800 54.154 -2.354 18788 350 1 1 . 1 1 77 77 ASP CB C 77 42.900 42.900 43.790 -0.890 18788 351 1 1 . 1 1 77 77 ASP H H 77 9.310 9.310 8.634 0.676 18788 352 1 1 . 1 1 78 78 LYS N N 78 119.100 119.100 119.138 -0.038 18788 353 1 1 . 1 1 78 78 LYS HA H 78 4.240 4.240 4.407 -0.167 18788 354 1 1 . 1 1 78 78 LYS C C 78 177.100 177.100 177.204 -0.104 18788 355 1 1 . 1 1 78 78 LYS CA C 78 57.700 57.700 57.153 0.548 18788 356 1 1 . 1 1 78 78 LYS CB C 78 33.400 33.400 32.652 0.748 18788 357 1 1 . 1 1 78 78 LYS H H 78 10.360 10.360 8.587 1.773 18788 358 1 1 . 1 1 79 79 GLY N N 79 111.100 111.100 109.558 1.542 18788 359 1 1 . 1 1 79 79 GLY C C 79 173.600 173.600 174.083 -0.483 18788 360 1 1 . 1 1 79 79 GLY CA C 79 44.500 44.500 44.471 0.029 18788 361 1 1 . 1 1 79 79 GLY H H 79 8.680 8.680 7.776 0.904 18788 362 1 1 . 1 1 80 80 GLN N N 80 124.800 124.800 120.396 4.404 18788 363 1 1 . 1 1 80 80 GLN HA H 80 4.140 4.140 4.519 -0.379 18788 364 1 1 . 1 1 80 80 GLN C C 80 176.900 176.900 175.894 1.006 18788 365 1 1 . 1 1 80 80 GLN CA C 80 57.200 57.200 55.778 1.422 18788 366 1 1 . 1 1 80 80 GLN CB C 80 29.200 29.200 30.148 -0.947 18788 367 1 1 . 1 1 80 80 GLN H H 80 8.800 8.800 8.683 0.117 18788 368 1 1 . 1 1 81 81 ARG N N 81 120.700 120.700 122.021 -1.321 18788 369 1 1 . 1 1 81 81 ARG HA H 81 4.620 4.620 4.337 0.283 18788 370 1 1 . 1 1 81 81 ARG C C 81 176.200 176.200 175.300 0.900 18788 371 1 1 . 1 1 81 81 ARG CA C 81 57.500 57.500 58.288 -0.788 18788 372 1 1 . 1 1 81 81 ARG CB C 81 32.000 32.000 30.886 1.114 18788 373 1 1 . 1 1 81 81 ARG H H 81 8.640 8.640 8.678 -0.038 18788 374 1 1 . 1 1 82 82 THR N N 82 107.900 107.900 107.583 0.317 18788 375 1 1 . 1 1 82 82 THR HA H 82 5.540 5.540 4.908 0.632 18788 376 1 1 . 1 1 82 82 THR C C 82 174.600 174.600 173.412 1.188 18788 377 1 1 . 1 1 82 82 THR CA C 82 58.400 58.400 59.567 -1.167 18788 378 1 1 . 1 1 82 82 THR CB C 82 72.500 72.500 72.280 0.220 18788 379 1 1 . 1 1 82 82 THR H H 82 7.300 7.300 7.351 -0.051 18788 380 1 1 . 1 1 83 83 ASP N N 83 121.300 121.300 121.861 -0.561 18788 381 1 1 . 1 1 83 83 ASP HA H 83 4.660 4.660 4.587 0.073 18788 382 1 1 . 1 1 83 83 ASP C C 83 179.000 179.000 178.136 0.864 18788 383 1 1 . 1 1 83 83 ASP CA C 83 51.700 51.700 53.581 -1.881 18788 384 1 1 . 1 1 83 83 ASP CB C 83 42.100 42.100 42.749 -0.649 18788 385 1 1 . 1 1 83 83 ASP H H 83 8.590 8.590 8.916 -0.326 18788 386 1 1 . 1 1 85 85 TYR N N 85 119.300 119.300 117.689 1.611 18788 387 1 1 . 1 1 85 85 TYR HA H 85 4.600 4.600 4.581 0.019 18788 388 1 1 . 1 1 85 85 TYR C C 85 176.100 176.100 175.259 0.841 18788 389 1 1 . 1 1 85 85 TYR CA C 85 57.100 57.100 57.646 -0.546 18788 390 1 1 . 1 1 85 85 TYR CB C 85 37.900 37.900 38.400 -0.499 18788 391 1 1 . 1 1 85 85 TYR H H 85 7.650 7.650 8.515 -0.865 18788 392 1 1 . 1 1 86 86 GLY N N 86 108.500 108.500 107.761 0.739 18788 393 1 1 . 1 1 86 86 GLY C C 86 174.400 174.400 173.974 0.426 18788 394 1 1 . 1 1 86 86 GLY CA C 86 45.400 45.400 45.160 0.240 18788 395 1 1 . 1 1 86 86 GLY H H 86 8.120 8.120 7.964 0.156 18788 396 1 1 . 1 1 87 87 ARG N N 87 121.600 121.600 119.573 2.027 18788 397 1 1 . 1 1 87 87 ARG HA H 87 4.430 4.430 4.732 -0.302 18788 398 1 1 . 1 1 87 87 ARG C C 87 177.000 177.000 176.567 0.433 18788 399 1 1 . 1 1 87 87 ARG CA C 87 55.300 55.300 54.792 0.508 18788 400 1 1 . 1 1 87 87 ARG CB C 87 30.000 30.000 31.344 -1.344 18788 401 1 1 . 1 1 87 87 ARG H H 87 8.600 8.600 7.474 1.126 18788 402 1 1 . 1 1 88 88 GLY N N 88 108.000 108.000 108.232 -0.232 18788 403 1 1 . 1 1 88 88 GLY C C 88 171.800 171.800 172.790 -0.990 18788 404 1 1 . 1 1 88 88 GLY CA C 88 44.800 44.800 44.245 0.555 18788 405 1 1 . 1 1 88 88 GLY H H 88 8.780 8.780 8.527 0.253 18788 406 1 1 . 1 1 89 89 LEU N N 89 125.100 125.100 125.981 -0.881 18788 407 1 1 . 1 1 89 89 LEU HA H 89 5.190 5.190 5.044 0.146 18788 408 1 1 . 1 1 89 89 LEU C C 89 174.800 174.800 175.590 -0.790 18788 409 1 1 . 1 1 89 89 LEU CA C 89 52.800 52.800 53.843 -1.043 18788 410 1 1 . 1 1 89 89 LEU CB C 89 42.900 42.900 41.852 1.048 18788 411 1 1 . 1 1 89 89 LEU H H 89 8.220 8.220 8.527 -0.307 18788 412 1 1 . 1 1 90 90 ALA N N 90 119.900 119.900 124.574 -4.674 18788 413 1 1 . 1 1 90 90 ALA HA H 90 4.790 4.790 4.706 0.084 18788 414 1 1 . 1 1 90 90 ALA C C 90 177.000 177.000 175.854 1.146 18788 415 1 1 . 1 1 90 90 ALA CA C 90 50.800 50.800 50.618 0.182 18788 416 1 1 . 1 1 90 90 ALA CB C 90 23.700 23.700 22.177 1.523 18788 417 1 1 . 1 1 90 90 ALA H H 90 7.400 7.400 7.930 -0.530 18788 418 1 1 . 1 1 91 91 TYR N N 91 122.400 122.400 120.236 2.164 18788 419 1 1 . 1 1 91 91 TYR HA H 91 4.650 4.650 4.579 0.071 18788 420 1 1 . 1 1 91 91 TYR C C 91 174.600 174.600 175.217 -0.617 18788 421 1 1 . 1 1 91 91 TYR CA C 91 57.200 57.200 57.628 -0.428 18788 422 1 1 . 1 1 91 91 TYR CB C 91 37.600 37.600 38.659 -1.059 18788 423 1 1 . 1 1 91 91 TYR H H 91 9.000 9.000 8.973 0.027 18788 424 1 1 . 1 1 92 92 ILE N N 92 122.200 122.200 125.018 -2.818 18788 425 1 1 . 1 1 92 92 ILE HA H 92 4.950 4.950 4.374 0.576 18788 426 1 1 . 1 1 92 92 ILE C C 92 173.700 173.700 175.365 -1.665 18788 427 1 1 . 1 1 92 92 ILE CA C 92 58.700 58.700 61.208 -2.508 18788 428 1 1 . 1 1 92 92 ILE CB C 92 38.900 38.900 38.589 0.311 18788 429 1 1 . 1 1 92 92 ILE H H 92 7.830 7.830 8.623 -0.793 18788 430 1 1 . 1 1 93 93 TYR N N 93 126.200 126.200 127.886 -1.686 18788 431 1 1 . 1 1 93 93 TYR HA H 93 5.080 5.080 4.941 0.139 18788 432 1 1 . 1 1 93 93 TYR C C 93 173.900 173.900 174.479 -0.579 18788 433 1 1 . 1 1 93 93 TYR CA C 93 56.500 56.500 56.201 0.299 18788 434 1 1 . 1 1 93 93 TYR CB C 93 41.500 41.500 39.551 1.949 18788 435 1 1 . 1 1 93 93 TYR H H 93 9.540 9.540 9.404 0.136 18788 436 1 1 . 1 1 94 94 ALA N N 94 125.700 125.700 127.054 -1.354 18788 437 1 1 . 1 1 94 94 ALA HA H 94 4.960 4.960 4.754 0.206 18788 438 1 1 . 1 1 94 94 ALA C C 94 175.700 175.700 177.191 -1.491 18788 439 1 1 . 1 1 94 94 ALA CA C 94 49.700 49.700 50.069 -0.369 18788 440 1 1 . 1 1 94 94 ALA CB C 94 20.900 20.900 20.141 0.759 18788 441 1 1 . 1 1 94 94 ALA H H 94 9.230 9.230 9.168 0.062 18788 442 1 1 . 1 1 95 95 ASP N N 95 127.600 127.600 125.956 1.644 18788 443 1 1 . 1 1 95 95 ASP HA H 95 4.430 4.430 4.303 0.127 18788 444 1 1 . 1 1 95 95 ASP C C 95 176.100 176.100 176.252 -0.152 18788 445 1 1 . 1 1 95 95 ASP CA C 95 56.500 56.500 55.730 0.770 18788 446 1 1 . 1 1 95 95 ASP CB C 95 39.500 39.500 40.732 -1.232 18788 447 1 1 . 1 1 95 95 ASP H H 95 9.720 9.720 9.385 0.335 18788 448 1 1 . 1 1 96 96 GLY N N 96 103.000 103.000 103.714 -0.714 18788 449 1 1 . 1 1 96 96 GLY C C 96 173.800 173.800 174.074 -0.274 18788 450 1 1 . 1 1 96 96 GLY CA C 96 45.400 45.400 45.338 0.062 18788 451 1 1 . 1 1 96 96 GLY H H 96 9.420 9.420 8.639 0.781 18788 452 1 1 . 1 1 97 97 LYS N N 97 121.400 121.400 123.716 -2.316 18788 453 1 1 . 1 1 97 97 LYS HA H 97 4.670 4.670 4.522 0.148 18788 454 1 1 . 1 1 97 97 LYS C C 97 176.000 176.000 176.051 -0.051 18788 455 1 1 . 1 1 97 97 LYS CA C 97 54.200 54.200 54.880 -0.680 18788 456 1 1 . 1 1 97 97 LYS CB C 97 33.100 33.100 32.671 0.429 18788 457 1 1 . 1 1 97 97 LYS H H 97 7.870 7.870 8.128 -0.258 18788 458 1 1 . 1 1 98 98 MET N N 98 127.000 127.000 124.747 2.253 18788 459 1 1 . 1 1 98 98 MET HA H 98 3.780 3.780 4.273 -0.493 18788 460 1 1 . 1 1 98 98 MET C C 98 177.700 177.700 176.831 0.869 18788 461 1 1 . 1 1 98 98 MET CA C 98 56.100 56.100 54.248 1.852 18788 462 1 1 . 1 1 98 98 MET CB C 98 34.700 34.700 30.380 4.320 18788 463 1 1 . 1 1 98 98 MET H H 98 9.280 9.280 8.855 0.425 18788 464 1 1 . 1 1 99 99 VAL N N 99 103.700 103.700 126.964 -23.264 18788 465 1 1 . 1 1 99 99 VAL HA H 99 3.730 3.730 3.537 0.193 18788 466 1 1 . 1 1 99 99 VAL C C 99 177.200 177.200 177.804 -0.604 18788 467 1 1 . 1 1 99 99 VAL CA C 99 66.100 66.100 66.251 -0.151 18788 468 1 1 . 1 1 99 99 VAL CB C 99 32.400 32.400 31.218 1.182 18788 469 1 1 . 1 1 99 99 VAL H H 99 10.190 10.190 8.906 1.284 18788 470 1 1 . 1 1 100 100 ASN N N 100 108.600 108.600 116.586 -7.986 18788 471 1 1 . 1 1 100 100 ASN HA H 100 4.080 4.080 4.275 -0.195 18788 472 1 1 . 1 1 100 100 ASN C C 100 174.200 174.200 177.289 -3.089 18788 473 1 1 . 1 1 100 100 ASN CA C 100 57.200 57.200 56.937 0.263 18788 474 1 1 . 1 1 100 100 ASN CB C 100 34.700 34.700 38.094 -3.394 18788 475 1 1 . 1 1 100 100 ASN H H 100 9.670 9.670 8.335 1.335 18788 476 1 1 . 1 1 101 101 GLU N N 101 112.800 112.800 120.720 -7.920 18788 477 1 1 . 1 1 101 101 GLU HA H 101 3.660 3.660 4.055 -0.395 18788 478 1 1 . 1 1 101 101 GLU C C 101 176.100 176.100 178.228 -2.128 18788 479 1 1 . 1 1 101 101 GLU CA C 101 59.800 59.800 59.110 0.690 18788 480 1 1 . 1 1 101 101 GLU CB C 101 30.200 30.200 29.527 0.673 18788 481 1 1 . 1 1 101 101 GLU H H 101 6.150 6.150 7.663 -1.513 18788 482 1 1 . 1 1 102 102 ALA N N 102 122.600 122.600 123.014 -0.414 18788 483 1 1 . 1 1 102 102 ALA HA H 102 4.070 4.070 4.143 -0.073 18788 484 1 1 . 1 1 102 102 ALA C C 102 179.800 179.800 180.189 -0.389 18788 485 1 1 . 1 1 102 102 ALA CA C 102 55.300 55.300 55.244 0.056 18788 486 1 1 . 1 1 102 102 ALA CB C 102 17.900 17.900 18.371 -0.471 18788 487 1 1 . 1 1 102 102 ALA H H 102 7.810 7.810 7.732 0.078 18788 488 1 1 . 1 1 103 103 LEU N N 103 116.100 116.100 118.382 -2.282 18788 489 1 1 . 1 1 103 103 LEU HA H 103 3.280 3.280 3.549 -0.269 18788 490 1 1 . 1 1 103 103 LEU C C 103 178.900 178.900 178.893 0.007 18788 491 1 1 . 1 1 103 103 LEU CA C 103 57.800 57.800 57.709 0.091 18788 492 1 1 . 1 1 103 103 LEU CB C 103 45.500 45.500 41.606 3.894 18788 493 1 1 . 1 1 103 103 LEU H H 103 8.070 8.070 8.407 -0.337 18788 494 1 1 . 1 1 104 104 VAL N N 104 116.600 116.600 119.160 -2.560 18788 495 1 1 . 1 1 104 104 VAL HA H 104 3.870 3.870 4.035 -0.165 18788 496 1 1 . 1 1 104 104 VAL C C 104 180.300 180.300 179.191 1.109 18788 497 1 1 . 1 1 104 104 VAL CA C 104 65.000 65.000 66.249 -1.249 18788 498 1 1 . 1 1 104 104 VAL CB C 104 32.000 32.000 31.733 0.267 18788 499 1 1 . 1 1 104 104 VAL H H 104 6.890 6.890 7.667 -0.777 18788 500 1 1 . 1 1 105 105 ARG N N 105 122.400 122.400 118.653 3.747 18788 501 1 1 . 1 1 105 105 ARG HA H 105 4.130 4.130 4.357 -0.227 18788 502 1 1 . 1 1 105 105 ARG C C 105 176.000 176.000 177.789 -1.789 18788 503 1 1 . 1 1 105 105 ARG CA C 105 57.000 57.000 58.430 -1.430 18788 504 1 1 . 1 1 105 105 ARG CB C 105 28.300 28.300 29.787 -1.487 18788 505 1 1 . 1 1 105 105 ARG H H 105 9.140 9.140 8.502 0.638 18788 506 1 1 . 1 1 106 106 GLN N N 106 112.000 112.000 117.921 -5.921 18788 507 1 1 . 1 1 106 106 GLN HA H 106 4.320 4.320 4.294 0.026 18788 508 1 1 . 1 1 106 106 GLN C C 106 175.600 175.600 175.561 0.039 18788 509 1 1 . 1 1 106 106 GLN CA C 106 53.800 53.800 54.403 -0.603 18788 510 1 1 . 1 1 106 106 GLN CB C 106 28.300 28.300 29.001 -0.701 18788 511 1 1 . 1 1 106 106 GLN H H 106 7.120 7.120 7.441 -0.321 18788 512 1 1 . 1 1 107 107 GLY N N 107 107.100 107.100 106.840 0.260 18788 513 1 1 . 1 1 107 107 GLY C C 107 172.400 172.400 174.342 -1.942 18788 514 1 1 . 1 1 107 107 GLY CA C 107 46.300 46.300 46.094 0.206 18788 515 1 1 . 1 1 107 107 GLY H H 107 8.080 8.080 7.845 0.235 18788 516 1 1 . 1 1 108 108 LEU N N 108 115.100 115.100 117.557 -2.457 18788 517 1 1 . 1 1 108 108 LEU HA H 108 4.300 4.300 4.550 -0.250 18788 518 1 1 . 1 1 108 108 LEU C C 108 172.500 172.500 175.466 -2.966 18788 519 1 1 . 1 1 108 108 LEU CA C 108 53.300 53.300 54.297 -0.997 18788 520 1 1 . 1 1 108 108 LEU CB C 108 43.500 43.500 42.917 0.583 18788 521 1 1 . 1 1 108 108 LEU H H 108 7.810 7.810 8.472 -0.662 18788 522 1 1 . 1 1 109 109 ALA N N 109 112.900 112.900 118.565 -5.665 18788 523 1 1 . 1 1 109 109 ALA HA H 109 4.500 4.500 4.545 -0.045 18788 524 1 1 . 1 1 109 109 ALA C C 109 174.800 174.800 175.577 -0.777 18788 525 1 1 . 1 1 109 109 ALA CA C 109 49.900 49.900 50.712 -0.812 18788 526 1 1 . 1 1 109 109 ALA CB C 109 24.900 24.900 21.711 3.189 18788 527 1 1 . 1 1 109 109 ALA H H 109 6.950 6.950 7.312 -0.362 18788 528 1 1 . 1 1 110 110 LYS N N 110 117.700 117.700 119.657 -1.957 18788 529 1 1 . 1 1 110 110 LYS HA H 110 5.120 5.120 4.851 0.269 18788 530 1 1 . 1 1 110 110 LYS C C 110 175.800 175.800 175.637 0.163 18788 531 1 1 . 1 1 110 110 LYS CA C 110 53.800 53.800 54.556 -0.756 18788 532 1 1 . 1 1 110 110 LYS CB C 110 35.300 35.300 35.882 -0.582 18788 533 1 1 . 1 1 110 110 LYS H H 110 7.890 7.890 8.473 -0.583 18788 534 1 1 . 1 1 111 111 VAL N N 111 123.100 123.100 121.349 1.751 18788 535 1 1 . 1 1 111 111 VAL HA H 111 4.630 4.630 4.442 0.188 18788 536 1 1 . 1 1 111 111 VAL C C 111 176.500 176.500 175.741 0.759 18788 537 1 1 . 1 1 111 111 VAL CA C 111 63.100 63.100 62.096 1.004 18788 538 1 1 . 1 1 111 111 VAL CB C 111 30.600 30.600 31.035 -0.435 18788 539 1 1 . 1 1 111 111 VAL H H 111 9.180 9.180 9.215 -0.035 18788 540 1 1 . 1 1 112 112 ALA N N 112 131.500 131.500 130.199 1.301 18788 541 1 1 . 1 1 112 112 ALA HA H 112 4.150 4.150 4.670 -0.520 18788 542 1 1 . 1 1 112 112 ALA C C 112 173.300 173.300 176.257 -2.957 18788 543 1 1 . 1 1 112 112 ALA CA C 112 51.300 51.300 50.278 1.022 18788 544 1 1 . 1 1 112 112 ALA CB C 112 23.900 23.900 21.629 2.271 18788 545 1 1 . 1 1 112 112 ALA H H 112 8.000 8.000 8.633 -0.633 18788 546 1 1 . 1 1 114 114 VAL N N 114 123.100 123.100 123.885 -0.785 18788 547 1 1 . 1 1 114 114 VAL HA H 114 3.550 3.550 3.941 -0.391 18788 548 1 1 . 1 1 114 114 VAL C C 114 174.600 174.600 176.426 -1.826 18788 549 1 1 . 1 1 114 114 VAL CA C 114 62.000 62.000 62.366 -0.366 18788 550 1 1 . 1 1 114 114 VAL CB C 114 30.300 30.300 32.291 -1.991 18788 551 1 1 . 1 1 114 114 VAL H H 114 7.480 7.480 8.080 -0.600 18788 552 1 1 . 1 1 115 115 TYR N N 115 130.100 130.100 130.124 -0.024 18788 553 1 1 . 1 1 115 115 TYR HA H 115 4.940 4.940 4.512 0.428 18788 554 1 1 . 1 1 115 115 TYR C C 115 175.700 175.700 174.974 0.726 18788 555 1 1 . 1 1 115 115 TYR CA C 115 54.900 54.900 56.992 -2.092 18788 556 1 1 . 1 1 115 115 TYR CB C 115 38.200 38.200 37.653 0.547 18788 557 1 1 . 1 1 115 115 TYR H H 115 8.970 8.970 8.655 0.315 18788 558 1 1 . 1 1 116 116 LYS N N 116 125.400 125.400 128.719 -3.319 18788 559 1 1 . 1 1 116 116 LYS HA H 116 3.940 3.940 4.353 -0.413 18788 560 1 1 . 1 1 116 116 LYS C C 116 175.100 175.100 175.615 -0.515 18788 561 1 1 . 1 1 116 116 LYS CA C 116 56.400 56.400 54.938 1.462 18788 562 1 1 . 1 1 116 116 LYS CB C 116 31.600 31.600 31.940 -0.340 18788 563 1 1 . 1 1 116 116 LYS H H 116 8.770 8.770 7.716 1.054 18788 564 1 1 . 1 1 117 117 PRO HA H 117 4.620 4.620 4.501 0.119 18788 565 1 1 . 1 1 117 117 PRO C C 117 175.600 175.600 176.111 -0.511 18788 566 1 1 . 1 1 117 117 PRO CA C 117 64.100 64.100 62.996 1.104 18788 567 1 1 . 1 1 117 117 PRO CB C 117 32.600 32.600 31.718 0.882 18788 568 1 1 . 1 1 118 118 ASN N N 118 128.800 128.800 121.260 7.540 18788 569 1 1 . 1 1 118 118 ASN HA H 118 5.310 5.310 4.945 0.365 18788 570 1 1 . 1 1 118 118 ASN C C 118 174.500 174.500 173.938 0.562 18788 571 1 1 . 1 1 118 118 ASN CA C 118 51.600 51.600 53.310 -1.710 18788 572 1 1 . 1 1 118 118 ASN CB C 118 36.200 36.200 37.114 -0.914 18788 573 1 1 . 1 1 118 118 ASN H H 118 8.710 8.710 7.854 0.856 18788 574 1 1 . 1 1 119 119 ASN N N 119 117.600 117.600 117.729 -0.129 18788 575 1 1 . 1 1 119 119 ASN HA H 119 5.020 5.020 5.058 -0.038 18788 576 1 1 . 1 1 119 119 ASN C C 119 177.500 177.500 174.574 2.926 18788 577 1 1 . 1 1 119 119 ASN CA C 119 51.900 51.900 53.164 -1.264 18788 578 1 1 . 1 1 119 119 ASN CB C 119 39.100 39.100 40.285 -1.185 18788 579 1 1 . 1 1 119 119 ASN H H 119 8.120 8.120 8.284 -0.164 18788 580 1 1 . 1 1 120 120 THR N N 120 124.400 124.400 118.317 6.083 18788 581 1 1 . 1 1 120 120 THR HA H 120 3.850 3.850 4.391 -0.541 18788 582 1 1 . 1 1 120 120 THR C C 120 176.400 176.400 175.301 1.099 18788 583 1 1 . 1 1 120 120 THR CA C 120 69.100 69.100 63.798 5.302 18788 584 1 1 . 1 1 120 120 THR CB C 120 66.800 66.800 69.572 -2.772 18788 585 1 1 . 1 1 120 120 THR H H 120 10.730 10.730 9.296 1.434 18788 586 1 1 . 1 1 121 121 HIS N N 121 113.400 113.400 118.576 -5.176 18788 587 1 1 . 1 1 121 121 HIS HA H 121 5.420 5.420 4.873 0.547 18788 588 1 1 . 1 1 121 121 HIS C C 121 174.800 174.800 175.225 -0.425 18788 589 1 1 . 1 1 121 121 HIS CA C 121 53.900 53.900 55.600 -1.700 18788 590 1 1 . 1 1 121 121 HIS CB C 121 29.400 29.400 30.419 -1.019 18788 591 1 1 . 1 1 121 121 HIS H H 121 6.860 6.860 7.999 -1.139 18788 592 1 1 . 1 1 122 122 GLU N N 122 120.200 120.200 121.731 -1.531 18788 593 1 1 . 1 1 122 122 GLU HA H 122 3.700 3.700 3.966 -0.266 18788 594 1 1 . 1 1 122 122 GLU C C 122 177.200 177.200 177.961 -0.761 18788 595 1 1 . 1 1 122 122 GLU CA C 122 61.200 61.200 60.591 0.609 18788 596 1 1 . 1 1 122 122 GLU CB C 122 29.900 29.900 29.211 0.689 18788 597 1 1 . 1 1 122 122 GLU H H 122 7.540 7.540 8.756 -1.216 18788 598 1 1 . 1 1 123 123 GLN N N 123 117.200 117.200 117.316 -0.116 18788 599 1 1 . 1 1 123 123 GLN HA H 123 3.970 3.970 4.021 -0.051 18788 600 1 1 . 1 1 123 123 GLN C C 123 178.600 178.600 178.542 0.058 18788 601 1 1 . 1 1 123 123 GLN CA C 123 59.500 59.500 58.539 0.961 18788 602 1 1 . 1 1 123 123 GLN CB C 123 27.100 27.100 28.051 -0.951 18788 603 1 1 . 1 1 123 123 GLN H H 123 8.920 8.920 8.591 0.329 18788 604 1 1 . 1 1 124 124 LEU N N 124 122.000 122.000 120.546 1.454 18788 605 1 1 . 1 1 124 124 LEU HA H 124 4.090 4.090 4.092 -0.002 18788 606 1 1 . 1 1 124 124 LEU C C 124 179.100 179.100 178.349 0.751 18788 607 1 1 . 1 1 124 124 LEU CA C 124 58.600 58.600 57.720 0.880 18788 608 1 1 . 1 1 124 124 LEU CB C 124 42.000 42.000 41.704 0.296 18788 609 1 1 . 1 1 124 124 LEU H H 124 7.940 7.940 7.856 0.084 18788 610 1 1 . 1 1 125 125 LEU N N 125 118.900 118.900 118.625 0.275 18788 611 1 1 . 1 1 125 125 LEU HA H 125 4.000 4.000 3.960 0.040 18788 612 1 1 . 1 1 125 125 LEU C C 125 179.200 179.200 179.041 0.159 18788 613 1 1 . 1 1 125 125 LEU CA C 125 58.900 58.900 57.843 1.057 18788 614 1 1 . 1 1 125 125 LEU CB C 125 41.100 41.100 41.294 -0.194 18788 615 1 1 . 1 1 125 125 LEU H H 125 8.030 8.030 7.840 0.190 18788 616 1 1 . 1 1 126 126 ARG N N 126 118.800 118.800 120.295 -1.495 18788 617 1 1 . 1 1 126 126 ARG HA H 126 4.030 4.030 3.938 0.092 18788 618 1 1 . 1 1 126 126 ARG C C 126 179.700 179.700 178.396 1.304 18788 619 1 1 . 1 1 126 126 ARG CA C 126 60.600 60.600 60.288 0.312 18788 620 1 1 . 1 1 126 126 ARG CB C 126 29.100 29.100 30.202 -1.102 18788 621 1 1 . 1 1 126 126 ARG H H 126 9.010 9.010 8.614 0.396 18788 622 1 1 . 1 1 127 127 LYS N N 127 122.700 122.700 118.807 3.893 18788 623 1 1 . 1 1 127 127 LYS HA H 127 4.150 4.150 4.055 0.095 18788 624 1 1 . 1 1 127 127 LYS C C 127 179.800 179.800 179.091 0.709 18788 625 1 1 . 1 1 127 127 LYS CA C 127 60.100 60.100 59.359 0.741 18788 626 1 1 . 1 1 127 127 LYS CB C 127 31.700 31.700 31.905 -0.205 18788 627 1 1 . 1 1 127 127 LYS H H 127 8.160 8.160 8.033 0.127 18788 628 1 1 . 1 1 128 128 SER N N 128 118.300 118.300 116.984 1.316 18788 629 1 1 . 1 1 128 128 SER HA H 128 4.320 4.320 4.097 0.223 18788 630 1 1 . 1 1 128 128 SER C C 128 175.500 175.500 176.249 -0.749 18788 631 1 1 . 1 1 128 128 SER CA C 128 63.600 63.600 62.339 1.261 18788 632 1 1 . 1 1 128 128 SER CB C 128 62.600 62.600 63.049 -0.449 18788 633 1 1 . 1 1 128 128 SER H H 128 7.830 7.830 8.191 -0.361 18788 634 1 1 . 1 1 129 129 GLU N N 129 125.200 125.200 122.986 2.214 18788 635 1 1 . 1 1 129 129 GLU HA H 129 3.900 3.900 4.104 -0.204 18788 636 1 1 . 1 1 129 129 GLU C C 129 177.400 177.400 178.211 -0.811 18788 637 1 1 . 1 1 129 129 GLU CA C 129 59.200 59.200 59.295 -0.095 18788 638 1 1 . 1 1 129 129 GLU CB C 129 30.900 30.900 29.735 1.165 18788 639 1 1 . 1 1 129 129 GLU H H 129 8.580 8.580 8.299 0.281 18788 640 1 1 . 1 1 130 130 ALA N N 130 119.500 119.500 121.472 -1.972 18788 641 1 1 . 1 1 130 130 ALA HA H 130 3.850 3.850 3.794 0.056 18788 642 1 1 . 1 1 130 130 ALA C C 130 181.000 181.000 179.519 1.481 18788 643 1 1 . 1 1 130 130 ALA CA C 130 55.000 55.000 54.956 0.044 18788 644 1 1 . 1 1 130 130 ALA CB C 130 17.600 17.600 17.897 -0.297 18788 645 1 1 . 1 1 130 130 ALA H H 130 7.950 7.950 7.880 0.070 18788 646 1 1 . 1 1 131 131 GLN N N 131 118.600 118.600 118.970 -0.370 18788 647 1 1 . 1 1 131 131 GLN HA H 131 3.990 3.990 3.941 0.049 18788 648 1 1 . 1 1 131 131 GLN C C 131 177.200 177.200 178.055 -0.855 18788 649 1 1 . 1 1 131 131 GLN CA C 131 58.800 58.800 58.766 0.034 18788 650 1 1 . 1 1 131 131 GLN CB C 131 28.000 28.000 28.621 -0.621 18788 651 1 1 . 1 1 131 131 GLN H H 131 7.520 7.520 8.027 -0.507 18788 652 1 1 . 1 1 132 132 ALA N N 132 123.100 123.100 121.510 1.590 18788 653 1 1 . 1 1 132 132 ALA HA H 132 3.930 3.930 4.043 -0.113 18788 654 1 1 . 1 1 132 132 ALA C C 132 179.500 179.500 179.397 0.103 18788 655 1 1 . 1 1 132 132 ALA CA C 132 55.600 55.600 54.990 0.609 18788 656 1 1 . 1 1 132 132 ALA CB C 132 18.400 18.400 18.488 -0.088 18788 657 1 1 . 1 1 132 132 ALA H H 132 8.000 8.000 7.700 0.300 18788 658 1 1 . 1 1 133 133 LYS N N 133 117.200 117.200 118.065 -0.865 18788 659 1 1 . 1 1 133 133 LYS HA H 133 3.450 3.450 3.464 -0.014 18788 660 1 1 . 1 1 133 133 LYS C C 133 180.800 180.800 179.425 1.375 18788 661 1 1 . 1 1 133 133 LYS CA C 133 59.500 59.500 59.097 0.403 18788 662 1 1 . 1 1 133 133 LYS CB C 133 32.200 32.200 31.962 0.238 18788 663 1 1 . 1 1 133 133 LYS H H 133 8.170 8.170 7.809 0.361 18788 664 1 1 . 1 1 134 134 LYS N N 134 122.600 122.600 118.831 3.769 18788 665 1 1 . 1 1 134 134 LYS HA H 134 3.960 3.960 4.149 -0.189 18788 666 1 1 . 1 1 134 134 LYS C C 134 178.700 178.700 177.931 0.769 18788 667 1 1 . 1 1 134 134 LYS CA C 134 59.200 59.200 58.366 0.834 18788 668 1 1 . 1 1 134 134 LYS CB C 134 32.200 32.200 31.587 0.613 18788 669 1 1 . 1 1 134 134 LYS H H 134 7.830 7.830 7.779 0.051 18788 670 1 1 . 1 1 135 135 GLU N N 135 116.500 116.500 117.352 -0.852 18788 671 1 1 . 1 1 135 135 GLU HA H 135 4.030 4.030 4.446 -0.416 18788 672 1 1 . 1 1 135 135 GLU C C 135 174.500 174.500 175.078 -0.578 18788 673 1 1 . 1 1 135 135 GLU CA C 135 56.700 56.700 55.929 0.771 18788 674 1 1 . 1 1 135 135 GLU CB C 135 29.700 29.700 29.755 -0.055 18788 675 1 1 . 1 1 135 135 GLU H H 135 7.680 7.680 7.471 0.209 18788 676 1 1 . 1 1 136 136 LYS N N 136 116.800 116.800 117.326 -0.526 18788 677 1 1 . 1 1 136 136 LYS HA H 136 3.540 3.540 3.975 -0.435 18788 678 1 1 . 1 1 136 136 LYS C C 136 175.000 175.000 176.057 -1.057 18788 679 1 1 . 1 1 136 136 LYS CA C 136 56.800 56.800 56.801 -0.001 18788 680 1 1 . 1 1 136 136 LYS CB C 136 28.800 28.800 29.739 -0.939 18788 681 1 1 . 1 1 136 136 LYS H H 136 7.820 7.820 7.623 0.197 18788 682 1 1 . 1 1 137 137 LEU N N 137 117.000 117.000 117.881 -0.881 18788 683 1 1 . 1 1 137 137 LEU HA H 137 4.190 4.190 4.247 -0.057 18788 684 1 1 . 1 1 137 137 LEU C C 137 178.500 178.500 178.294 0.206 18788 685 1 1 . 1 1 137 137 LEU CA C 137 55.000 55.000 55.070 -0.070 18788 686 1 1 . 1 1 137 137 LEU CB C 137 44.000 44.000 42.689 1.311 18788 687 1 1 . 1 1 137 137 LEU H H 137 7.650 7.650 8.019 -0.369 18788 688 1 1 . 1 1 138 138 ASN N N 138 118.700 118.700 119.834 -1.134 18788 689 1 1 . 1 1 138 138 ASN HA H 138 3.730 3.730 4.325 -0.595 18788 690 1 1 . 1 1 138 138 ASN C C 138 176.300 176.300 176.526 -0.226 18788 691 1 1 . 1 1 138 138 ASN CA C 138 56.600 56.600 56.072 0.527 18788 692 1 1 . 1 1 138 138 ASN CB C 138 38.700 38.700 38.154 0.546 18788 693 1 1 . 1 1 138 138 ASN H H 138 9.050 9.050 9.041 0.009 18788 694 1 1 . 1 1 139 139 ILE N N 139 123.800 123.800 113.774 10.026 18788 695 1 1 . 1 1 139 139 ILE HA H 139 3.380 3.380 3.957 -0.577 18788 696 1 1 . 1 1 139 139 ILE C C 139 176.700 176.700 176.174 0.526 18788 697 1 1 . 1 1 139 139 ILE CA C 139 65.700 65.700 62.537 3.163 18788 698 1 1 . 1 1 139 139 ILE CB C 139 37.000 37.000 37.597 -0.597 18788 699 1 1 . 1 1 139 139 ILE H H 139 8.350 8.350 7.540 0.810 18788 700 1 1 . 1 1 140 140 TRP N N 140 119.700 119.700 118.708 0.992 18788 701 1 1 . 1 1 140 140 TRP HA H 140 4.940 4.940 4.807 0.133 18788 702 1 1 . 1 1 140 140 TRP C C 140 176.200 176.200 176.495 -0.295 18788 703 1 1 . 1 1 140 140 TRP CA C 140 54.900 54.900 55.862 -0.962 18788 704 1 1 . 1 1 140 140 TRP CB C 140 30.000 30.000 29.893 0.107 18788 705 1 1 . 1 1 140 140 TRP H H 140 7.850 7.850 8.082 -0.232 18788 706 1 1 . 1 1 141 141 SER N N 141 116.100 116.100 115.219 0.881 18788 707 1 1 . 1 1 141 141 SER HA H 141 4.220 4.220 4.557 -0.337 18788 708 1 1 . 1 1 141 141 SER C C 141 175.200 175.200 174.896 0.304 18788 709 1 1 . 1 1 141 141 SER CA C 141 59.800 59.800 57.439 2.361 18788 710 1 1 . 1 1 141 141 SER CB C 141 64.600 64.600 64.392 0.208 18788 711 1 1 . 1 1 141 141 SER H H 141 8.080 8.080 7.510 0.570 18788 712 1 1 . 1 1 142 142 GLU N N 142 121.200 121.200 124.732 -3.532 18788 713 1 1 . 1 1 142 142 GLU HA H 142 4.430 4.430 4.403 0.027 18788 714 1 1 . 1 1 142 142 GLU C C 142 176.200 176.200 176.117 0.083 18788 715 1 1 . 1 1 142 142 GLU CA C 142 56.100 56.100 58.551 -2.451 18788 716 1 1 . 1 1 142 142 GLU CB C 142 30.500 30.500 28.323 2.178 18788 717 1 1 . 1 1 142 142 GLU H H 142 8.020 8.020 8.809 -0.789 18788 718 1 1 . 1 1 143 143 ASP N N 143 121.400 121.400 124.146 -2.746 18788 719 1 1 . 1 1 143 143 ASP HA H 143 4.620 4.620 4.601 0.019 18788 720 1 1 . 1 1 143 143 ASP C C 143 176.100 176.100 176.060 0.040 18788 721 1 1 . 1 1 143 143 ASP CA C 143 54.800 54.800 55.083 -0.283 18788 722 1 1 . 1 1 143 143 ASP CB C 143 41.200 41.200 41.459 -0.259 18788 723 1 1 . 1 1 143 143 ASP H H 143 8.370 8.370 8.162 0.208 18788 724 1 1 . 1 1 144 144 ASN N N 144 119.300 119.300 119.597 -0.297 18788 725 1 1 . 1 1 144 144 ASN HA H 144 4.760 4.760 4.633 0.127 18788 726 1 1 . 1 1 144 144 ASN C C 144 175.200 175.200 175.119 0.081 18788 727 1 1 . 1 1 144 144 ASN CA C 144 53.200 53.200 54.398 -1.198 18788 728 1 1 . 1 1 144 144 ASN CB C 144 39.000 39.000 39.573 -0.573 18788 729 1 1 . 1 1 144 144 ASN H H 144 8.400 8.400 8.452 -0.052 18788 730 1 1 . 1 1 145 145 ALA N N 145 124.300 124.300 122.588 1.712 18788 731 1 1 . 1 1 145 145 ALA HA H 145 4.310 4.310 4.599 -0.289 18788 732 1 1 . 1 1 145 145 ALA C C 145 177.700 177.700 175.036 2.664 18788 733 1 1 . 1 1 145 145 ALA CA C 145 53.300 53.300 51.304 1.996 18788 734 1 1 . 1 1 145 145 ALA CB C 145 19.200 19.200 19.868 -0.668 18788 735 1 1 . 1 1 145 145 ALA H H 145 8.240 8.240 7.819 0.421 18788 736 1 1 . 1 1 146 146 ASP N N 146 119.200 119.200 123.686 -4.486 18788 737 1 1 . 1 1 146 146 ASP HA H 146 4.670 4.670 4.852 -0.182 18788 738 1 1 . 1 1 146 146 ASP C C 146 176.400 176.400 175.344 1.056 18788 739 1 1 . 1 1 146 146 ASP CA C 146 54.400 54.400 53.392 1.008 18788 740 1 1 . 1 1 146 146 ASP CB C 146 41.200 41.200 40.858 0.342 18788 741 1 1 . 1 1 146 146 ASP H H 146 8.340 8.340 8.601 -0.261 18788 742 1 1 . 1 1 147 147 SER N N 147 116.100 116.100 119.266 -3.166 18788 743 1 1 . 1 1 147 147 SER HA H 147 4.450 4.450 4.931 -0.481 18788 744 1 1 . 1 1 147 147 SER C C 147 175.200 175.200 173.986 1.214 18788 745 1 1 . 1 1 147 147 SER CA C 147 58.900 58.900 57.893 1.007 18788 746 1 1 . 1 1 147 147 SER CB C 147 64.100 64.100 65.408 -1.308 18788 747 1 1 . 1 1 147 147 SER H H 147 8.220 8.220 8.381 -0.161 18788 748 1 1 . 1 1 148 148 GLY N N 148 111.200 111.200 111.118 0.082 18788 749 1 1 . 1 1 148 148 GLY C C 148 173.400 173.400 172.748 0.652 18788 750 1 1 . 1 1 148 148 GLY CA C 148 45.500 45.500 45.303 0.197 18788 751 1 1 . 1 1 148 148 GLY H H 148 8.470 8.470 8.164 0.306 18788 752 1 2 . 1 1 2 2 THR N N 2 120.300 120.300 117.209 3.091 18788 753 1 2 . 1 1 2 2 THR HA H 2 4.430 4.430 4.360 0.070 18788 754 1 2 . 1 1 2 2 THR C C 2 174.400 174.400 174.977 -0.577 18788 755 1 2 . 1 1 2 2 THR CA C 2 62.100 62.100 62.966 -0.866 18788 756 1 2 . 1 1 2 2 THR CB C 2 69.900 69.900 69.140 0.760 18788 757 1 2 . 1 1 2 2 THR H H 2 8.320 8.320 8.259 0.061 18788 758 1 2 . 1 1 3 3 SER N N 3 118.700 118.700 116.073 2.627 18788 759 1 2 . 1 1 3 3 SER HA H 3 5.000 5.000 4.606 0.394 18788 760 1 2 . 1 1 3 3 SER CA C 3 58.400 58.400 57.264 1.137 18788 761 1 2 . 1 1 3 3 SER CB C 3 68.800 68.800 64.686 4.114 18788 762 1 2 . 1 1 3 3 SER H H 3 8.520 8.520 7.660 0.860 18788 763 1 2 . 1 1 4 4 THR HA H 4 4.380 4.380 4.424 -0.044 18788 764 1 2 . 1 1 4 4 THR C C 4 174.400 174.400 174.711 -0.311 18788 765 1 2 . 1 1 4 4 THR CA C 4 62.000 62.000 61.690 0.310 18788 766 1 2 . 1 1 4 4 THR CB C 4 69.700 69.700 69.026 0.674 18788 767 1 2 . 1 1 5 5 LYS N N 5 124.000 124.000 128.827 -4.827 18788 768 1 2 . 1 1 5 5 LYS HA H 5 4.370 4.370 4.469 -0.099 18788 769 1 2 . 1 1 5 5 LYS C C 5 176.100 176.100 175.513 0.587 18788 770 1 2 . 1 1 5 5 LYS CA C 5 56.500 56.500 55.133 1.367 18788 771 1 2 . 1 1 5 5 LYS CB C 5 32.900 32.900 31.661 1.239 18788 772 1 2 . 1 1 5 5 LYS H H 5 8.320 8.320 8.649 -0.329 18788 773 1 2 . 1 1 6 6 LYS N N 6 122.500 122.500 119.250 3.250 18788 774 1 2 . 1 1 6 6 LYS HA H 6 4.400 4.400 4.502 -0.102 18788 775 1 2 . 1 1 6 6 LYS C C 6 176.200 176.200 175.288 0.912 18788 776 1 2 . 1 1 6 6 LYS CA C 6 55.900 55.900 54.340 1.560 18788 777 1 2 . 1 1 6 6 LYS CB C 6 33.600 33.600 35.196 -1.596 18788 778 1 2 . 1 1 6 6 LYS H H 6 8.220 8.220 7.601 0.619 18788 779 1 2 . 1 1 7 7 LEU N N 7 122.200 122.200 120.384 1.816 18788 780 1 2 . 1 1 7 7 LEU HA H 7 4.550 4.550 4.634 -0.084 18788 781 1 2 . 1 1 7 7 LEU C C 7 176.600 176.600 177.086 -0.486 18788 782 1 2 . 1 1 7 7 LEU CA C 7 54.800 54.800 54.472 0.328 18788 783 1 2 . 1 1 7 7 LEU CB C 7 41.500 41.500 43.063 -1.563 18788 784 1 2 . 1 1 7 7 LEU H H 7 8.340 8.340 8.381 -0.041 18788 785 1 2 . 1 1 8 8 HIS N N 8 119.200 119.200 117.107 2.093 18788 786 1 2 . 1 1 8 8 HIS HA H 8 4.990 4.990 4.998 -0.008 18788 787 1 2 . 1 1 8 8 HIS C C 8 173.700 173.700 174.027 -0.327 18788 788 1 2 . 1 1 8 8 HIS CA C 8 55.300 55.300 54.596 0.703 18788 789 1 2 . 1 1 8 8 HIS CB C 8 32.200 32.200 32.352 -0.152 18788 790 1 2 . 1 1 8 8 HIS H H 8 8.860 8.860 8.522 0.338 18788 791 1 2 . 1 1 9 9 LYS N N 9 124.000 124.000 124.279 -0.279 18788 792 1 2 . 1 1 9 9 LYS HA H 9 4.840 4.840 4.828 0.012 18788 793 1 2 . 1 1 9 9 LYS C C 9 176.400 176.400 176.098 0.302 18788 794 1 2 . 1 1 9 9 LYS CA C 9 55.700 55.700 55.051 0.649 18788 795 1 2 . 1 1 9 9 LYS CB C 9 34.700 34.700 33.927 0.773 18788 796 1 2 . 1 1 9 9 LYS H H 9 8.480 8.480 8.636 -0.156 18788 797 1 2 . 1 1 10 10 GLU N N 10 123.100 123.100 122.329 0.771 18788 798 1 2 . 1 1 10 10 GLU HA H 10 5.060 5.060 5.016 0.044 18788 799 1 2 . 1 1 10 10 GLU C C 10 173.200 173.200 174.397 -1.197 18788 800 1 2 . 1 1 10 10 GLU CA C 10 53.400 53.400 53.001 0.399 18788 801 1 2 . 1 1 10 10 GLU CB C 10 33.000 33.000 32.008 0.992 18788 802 1 2 . 1 1 10 10 GLU H H 10 9.390 9.390 8.835 0.555 18788 803 1 2 . 1 1 11 11 PRO HA H 11 4.900 4.900 4.852 0.048 18788 804 1 2 . 1 1 11 11 PRO C C 11 175.400 175.400 175.507 -0.107 18788 805 1 2 . 1 1 11 11 PRO CA C 11 63.100 63.100 62.816 0.284 18788 806 1 2 . 1 1 11 11 PRO CB C 11 33.000 33.000 32.316 0.683 18788 807 1 2 . 1 1 12 12 ALA N N 12 119.700 119.700 124.402 -4.702 18788 808 1 2 . 1 1 12 12 ALA HA H 12 4.990 4.990 5.576 -0.586 18788 809 1 2 . 1 1 12 12 ALA C C 12 175.400 175.400 175.606 -0.206 18788 810 1 2 . 1 1 12 12 ALA CA C 12 51.600 51.600 50.681 0.919 18788 811 1 2 . 1 1 12 12 ALA CB C 12 24.600 24.600 23.532 1.068 18788 812 1 2 . 1 1 12 12 ALA H H 12 8.070 8.070 8.948 -0.878 18788 813 1 2 . 1 1 13 13 THR N N 13 109.100 109.100 114.767 -5.667 18788 814 1 2 . 1 1 13 13 THR HA H 13 4.700 4.700 4.634 0.066 18788 815 1 2 . 1 1 13 13 THR C C 13 174.000 174.000 173.024 0.976 18788 816 1 2 . 1 1 13 13 THR CA C 13 60.700 60.700 61.425 -0.725 18788 817 1 2 . 1 1 13 13 THR CB C 13 71.600 71.600 72.237 -0.637 18788 818 1 2 . 1 1 13 13 THR H H 13 8.090 8.090 8.364 -0.274 18788 819 1 2 . 1 1 14 14 LEU N N 14 125.200 125.200 127.123 -1.923 18788 820 1 2 . 1 1 14 14 LEU HA H 14 4.140 4.140 4.225 -0.085 18788 821 1 2 . 1 1 14 14 LEU C C 14 176.700 176.700 175.647 1.053 18788 822 1 2 . 1 1 14 14 LEU CA C 14 56.800 56.800 56.193 0.607 18788 823 1 2 . 1 1 14 14 LEU CB C 14 42.900 42.900 42.817 0.083 18788 824 1 2 . 1 1 14 14 LEU H H 14 9.150 9.150 8.870 0.280 18788 825 1 2 . 1 1 15 15 ILE N N 15 125.200 125.200 126.010 -0.810 18788 826 1 2 . 1 1 15 15 ILE HA H 15 4.220 4.220 4.283 -0.063 18788 827 1 2 . 1 1 15 15 ILE C C 15 175.900 175.900 176.142 -0.242 18788 828 1 2 . 1 1 15 15 ILE CA C 15 64.300 64.300 62.853 1.447 18788 829 1 2 . 1 1 15 15 ILE CB C 15 38.700 38.700 39.503 -0.803 18788 830 1 2 . 1 1 15 15 ILE H H 15 8.460 8.460 8.657 -0.197 18788 831 1 2 . 1 1 16 16 LYS N N 16 114.100 114.100 117.702 -3.602 18788 832 1 2 . 1 1 16 16 LYS HA H 16 4.460 4.460 4.566 -0.106 18788 833 1 2 . 1 1 16 16 LYS C C 16 174.000 174.000 174.593 -0.593 18788 834 1 2 . 1 1 16 16 LYS CA C 16 56.600 56.600 54.667 1.933 18788 835 1 2 . 1 1 16 16 LYS CB C 16 35.300 35.300 36.967 -1.667 18788 836 1 2 . 1 1 16 16 LYS H H 16 8.050 8.050 8.280 -0.230 18788 837 1 2 . 1 1 17 17 ALA N N 17 129.100 129.100 126.315 2.785 18788 838 1 2 . 1 1 17 17 ALA HA H 17 4.480 4.480 4.425 0.055 18788 839 1 2 . 1 1 17 17 ALA C C 17 175.700 175.700 177.156 -1.456 18788 840 1 2 . 1 1 17 17 ALA CA C 17 52.300 52.300 52.563 -0.263 18788 841 1 2 . 1 1 17 17 ALA CB C 17 18.200 18.200 19.302 -1.102 18788 842 1 2 . 1 1 17 17 ALA H H 17 9.470 9.470 8.576 0.894 18788 843 1 2 . 1 1 18 18 ILE N N 18 123.500 123.500 123.597 -0.097 18788 844 1 2 . 1 1 18 18 ILE HA H 18 4.110 4.110 4.231 -0.121 18788 845 1 2 . 1 1 18 18 ILE C C 18 175.100 175.100 176.019 -0.919 18788 846 1 2 . 1 1 18 18 ILE CA C 18 63.200 63.200 62.650 0.550 18788 847 1 2 . 1 1 18 18 ILE CB C 18 37.800 37.800 38.442 -0.642 18788 848 1 2 . 1 1 18 18 ILE H H 18 8.070 8.070 8.294 -0.224 18788 849 1 2 . 1 1 19 19 ASP N N 19 120.500 120.500 115.524 4.976 18788 850 1 2 . 1 1 19 19 ASP HA H 19 4.730 4.730 4.798 -0.068 18788 851 1 2 . 1 1 19 19 ASP C C 19 176.800 176.800 177.162 -0.362 18788 852 1 2 . 1 1 19 19 ASP CA C 19 53.400 53.400 53.431 -0.031 18788 853 1 2 . 1 1 19 19 ASP CB C 19 40.100 40.100 43.145 -3.045 18788 854 1 2 . 1 1 19 19 ASP H H 19 8.290 8.290 8.139 0.151 18788 855 1 2 . 1 1 20 20 GLY N N 20 103.500 103.500 107.627 -4.127 18788 856 1 2 . 1 1 20 20 GLY C C 20 173.300 173.300 175.049 -1.749 18788 857 1 2 . 1 1 20 20 GLY CA C 20 47.700 47.700 47.502 0.198 18788 858 1 2 . 1 1 20 20 GLY H H 20 8.460 8.460 8.721 -0.261 18788 859 1 2 . 1 1 21 21 ASP N N 21 111.200 111.200 117.012 -5.812 18788 860 1 2 . 1 1 21 21 ASP HA H 21 4.850 4.850 4.707 0.143 18788 861 1 2 . 1 1 21 21 ASP C C 21 175.300 175.300 175.006 0.294 18788 862 1 2 . 1 1 21 21 ASP CA C 21 52.100 52.100 53.179 -1.079 18788 863 1 2 . 1 1 21 21 ASP CB C 21 40.600 40.600 40.365 0.235 18788 864 1 2 . 1 1 21 21 ASP H H 21 7.640 7.640 7.891 -0.251 18788 865 1 2 . 1 1 22 22 THR N N 22 113.200 113.200 115.713 -2.513 18788 866 1 2 . 1 1 22 22 THR HA H 22 5.700 5.700 5.208 0.492 18788 867 1 2 . 1 1 22 22 THR C C 22 174.000 174.000 173.219 0.781 18788 868 1 2 . 1 1 22 22 THR CA C 22 61.000 61.000 61.866 -0.866 18788 869 1 2 . 1 1 22 22 THR CB C 22 71.800 71.800 71.630 0.170 18788 870 1 2 . 1 1 22 22 THR H H 22 7.610 7.610 7.082 0.528 18788 871 1 2 . 1 1 23 23 VAL N N 23 118.000 118.000 120.733 -2.733 18788 872 1 2 . 1 1 23 23 VAL HA H 23 4.620 4.620 4.789 -0.169 18788 873 1 2 . 1 1 23 23 VAL C C 23 172.100 172.100 173.128 -1.028 18788 874 1 2 . 1 1 23 23 VAL CA C 23 60.100 60.100 59.882 0.218 18788 875 1 2 . 1 1 23 23 VAL CB C 23 36.200 36.200 35.273 0.927 18788 876 1 2 . 1 1 23 23 VAL H H 23 8.910 8.910 9.262 -0.352 18788 877 1 2 . 1 1 24 24 LYS N N 24 127.000 127.000 124.473 2.527 18788 878 1 2 . 1 1 24 24 LYS HA H 24 5.440 5.440 5.208 0.232 18788 879 1 2 . 1 1 24 24 LYS C C 24 175.200 175.200 174.959 0.241 18788 880 1 2 . 1 1 24 24 LYS CA C 24 55.600 55.600 55.023 0.577 18788 881 1 2 . 1 1 24 24 LYS CB C 24 34.400 34.400 34.414 -0.014 18788 882 1 2 . 1 1 24 24 LYS H H 24 9.470 9.470 9.015 0.455 18788 883 1 2 . 1 1 25 25 LEU N N 25 127.000 127.000 122.641 4.359 18788 884 1 2 . 1 1 25 25 LEU HA H 25 5.210 5.210 5.005 0.205 18788 885 1 2 . 1 1 25 25 LEU C C 25 174.500 174.500 174.739 -0.239 18788 886 1 2 . 1 1 25 25 LEU CA C 25 53.100 53.100 52.879 0.221 18788 887 1 2 . 1 1 25 25 LEU CB C 25 45.500 45.500 45.112 0.388 18788 888 1 2 . 1 1 25 25 LEU H H 25 9.380 9.380 9.323 0.057 18788 889 1 2 . 1 1 26 26 MET N N 26 122.000 122.000 119.877 2.123 18788 890 1 2 . 1 1 26 26 MET HA H 26 4.880 4.880 5.086 -0.206 18788 891 1 2 . 1 1 26 26 MET C C 26 175.100 175.100 174.669 0.431 18788 892 1 2 . 1 1 26 26 MET CA C 26 54.700 54.700 54.865 -0.165 18788 893 1 2 . 1 1 26 26 MET CB C 26 31.400 31.400 33.871 -2.471 18788 894 1 2 . 1 1 26 26 MET H H 26 9.530 9.530 9.060 0.470 18788 895 1 2 . 1 1 27 27 TYR N N 27 129.600 129.600 129.980 -0.380 18788 896 1 2 . 1 1 27 27 TYR HA H 27 5.050 5.050 4.835 0.215 18788 897 1 2 . 1 1 27 27 TYR C C 27 173.900 173.900 175.365 -1.465 18788 898 1 2 . 1 1 27 27 TYR CA C 27 57.000 57.000 57.049 -0.049 18788 899 1 2 . 1 1 27 27 TYR CB C 27 41.700 41.700 38.984 2.716 18788 900 1 2 . 1 1 27 27 TYR H H 27 9.040 9.040 9.537 -0.497 18788 901 1 2 . 1 1 28 28 LYS N N 28 127.600 127.600 128.664 -1.064 18788 902 1 2 . 1 1 28 28 LYS HA H 28 3.590 3.590 3.763 -0.173 18788 903 1 2 . 1 1 28 28 LYS C C 28 176.900 176.900 175.799 1.101 18788 904 1 2 . 1 1 28 28 LYS CA C 28 57.100 57.100 57.405 -0.305 18788 905 1 2 . 1 1 28 28 LYS CB C 28 29.700 29.700 30.259 -0.559 18788 906 1 2 . 1 1 28 28 LYS H H 28 9.310 9.310 8.587 0.723 18788 907 1 2 . 1 1 29 29 GLY N N 29 102.400 102.400 102.354 0.046 18788 908 1 2 . 1 1 29 29 GLY C C 29 173.600 173.600 174.274 -0.674 18788 909 1 2 . 1 1 29 29 GLY CA C 29 45.600 45.600 44.822 0.778 18788 910 1 2 . 1 1 29 29 GLY H H 29 8.450 8.450 8.573 -0.123 18788 911 1 2 . 1 1 30 30 GLN N N 30 119.300 119.300 119.611 -0.311 18788 912 1 2 . 1 1 30 30 GLN HA H 30 5.030 5.030 4.926 0.104 18788 913 1 2 . 1 1 30 30 GLN C C 30 173.200 173.200 173.306 -0.106 18788 914 1 2 . 1 1 30 30 GLN CA C 30 52.200 52.200 52.085 0.115 18788 915 1 2 . 1 1 30 30 GLN CB C 30 31.200 31.200 29.664 1.536 18788 916 1 2 . 1 1 30 30 GLN H H 30 7.820 7.820 8.077 -0.257 18788 917 1 2 . 1 1 31 31 PRO HA H 31 4.880 4.880 4.786 0.094 18788 918 1 2 . 1 1 31 31 PRO C C 31 177.400 177.400 175.745 1.655 18788 919 1 2 . 1 1 31 31 PRO CA C 31 62.600 62.600 63.167 -0.567 18788 920 1 2 . 1 1 31 31 PRO CB C 31 31.900 31.900 31.613 0.286 18788 921 1 2 . 1 1 32 32 MET N N 32 125.700 125.700 125.513 0.187 18788 922 1 2 . 1 1 32 32 MET HA H 32 4.670 4.670 4.992 -0.322 18788 923 1 2 . 1 1 32 32 MET C C 32 174.600 174.600 174.177 0.423 18788 924 1 2 . 1 1 32 32 MET CA C 32 55.800 55.800 54.810 0.990 18788 925 1 2 . 1 1 32 32 MET CB C 32 37.200 37.200 37.530 -0.330 18788 926 1 2 . 1 1 32 32 MET H H 32 9.570 9.570 9.299 0.271 18788 927 1 2 . 1 1 33 33 THR N N 33 123.600 123.600 122.510 1.090 18788 928 1 2 . 1 1 33 33 THR HA H 33 4.510 4.510 5.114 -0.604 18788 929 1 2 . 1 1 33 33 THR C C 33 173.100 173.100 173.786 -0.686 18788 930 1 2 . 1 1 33 33 THR CA C 33 64.300 64.300 62.200 2.100 18788 931 1 2 . 1 1 33 33 THR CB C 33 68.800 68.800 69.724 -0.924 18788 932 1 2 . 1 1 33 33 THR H H 33 8.990 8.990 8.584 0.406 18788 933 1 2 . 1 1 34 34 PHE N N 34 126.100 126.100 126.659 -0.559 18788 934 1 2 . 1 1 34 34 PHE HA H 34 4.890 4.890 5.155 -0.265 18788 935 1 2 . 1 1 34 34 PHE C C 34 173.400 173.400 174.154 -0.754 18788 936 1 2 . 1 1 34 34 PHE CA C 34 57.300 57.300 56.995 0.305 18788 937 1 2 . 1 1 34 34 PHE CB C 34 41.900 41.900 41.217 0.683 18788 938 1 2 . 1 1 34 34 PHE H H 34 9.610 9.610 9.574 0.036 18788 939 1 2 . 1 1 35 35 ARG N N 35 124.200 124.200 124.465 -0.265 18788 940 1 2 . 1 1 35 35 ARG HA H 35 5.080 5.080 5.510 -0.430 18788 941 1 2 . 1 1 35 35 ARG C C 35 174.600 174.600 175.272 -0.672 18788 942 1 2 . 1 1 35 35 ARG CA C 35 52.100 52.100 54.023 -1.923 18788 943 1 2 . 1 1 35 35 ARG CB C 35 33.600 33.600 33.914 -0.314 18788 944 1 2 . 1 1 35 35 ARG H H 35 9.640 9.640 8.418 1.222 18788 945 1 2 . 1 1 38 38 LEU HA H 38 4.330 4.330 4.436 -0.106 18788 946 1 2 . 1 1 38 38 LEU C C 38 175.200 175.200 176.316 -1.116 18788 947 1 2 . 1 1 38 38 LEU CA C 38 56.600 56.600 55.711 0.889 18788 948 1 2 . 1 1 38 38 LEU CB C 38 40.100 40.100 41.189 -1.089 18788 949 1 2 . 1 1 39 39 VAL N N 39 104.500 104.500 113.768 -9.268 18788 950 1 2 . 1 1 39 39 VAL HA H 39 5.580 5.580 5.241 0.339 18788 951 1 2 . 1 1 39 39 VAL C C 39 175.600 175.600 174.862 0.738 18788 952 1 2 . 1 1 39 39 VAL CA C 39 57.800 57.800 58.761 -0.961 18788 953 1 2 . 1 1 39 39 VAL CB C 39 36.400 36.400 34.555 1.845 18788 954 1 2 . 1 1 39 39 VAL H H 39 6.920 6.920 7.428 -0.508 18788 955 1 2 . 1 1 40 40 ASP N N 40 121.500 121.500 124.378 -2.878 18788 956 1 2 . 1 1 40 40 ASP HA H 40 5.260 5.260 5.072 0.188 18788 957 1 2 . 1 1 40 40 ASP C C 40 174.600 174.600 175.013 -0.413 18788 958 1 2 . 1 1 40 40 ASP CA C 40 54.100 54.100 53.093 1.007 18788 959 1 2 . 1 1 40 40 ASP CB C 40 44.100 44.100 45.090 -0.990 18788 960 1 2 . 1 1 40 40 ASP H H 40 8.880 8.880 9.097 -0.217 18788 961 1 2 . 1 1 41 41 THR N N 41 118.700 118.700 116.795 1.905 18788 962 1 2 . 1 1 41 41 THR HA H 41 5.020 5.020 5.000 0.020 18788 963 1 2 . 1 1 41 41 THR CA C 41 58.300 58.300 58.639 -0.339 18788 964 1 2 . 1 1 41 41 THR CB C 41 68.900 68.900 69.551 -0.651 18788 965 1 2 . 1 1 41 41 THR H H 41 8.520 8.520 8.765 -0.245 18788 966 1 2 . 1 1 42 42 PRO HA H 42 4.440 4.440 4.574 -0.134 18788 967 1 2 . 1 1 42 42 PRO CA C 42 62.200 62.200 62.247 -0.047 18788 968 1 2 . 1 1 42 42 PRO CB C 42 32.300 32.300 30.685 1.615 18788 969 1 2 . 1 1 50 50 GLY C C 50 179.800 179.800 174.377 5.423 18788 970 1 2 . 1 1 51 51 VAL N N 51 119.200 119.200 119.477 -0.277 18788 971 1 2 . 1 1 51 51 VAL HA H 51 4.160 4.160 3.842 0.318 18788 972 1 2 . 1 1 51 51 VAL C C 51 178.600 178.600 176.790 1.810 18788 973 1 2 . 1 1 51 51 VAL CA C 51 63.500 63.500 63.014 0.486 18788 974 1 2 . 1 1 51 51 VAL H H 51 7.820 7.820 8.285 -0.465 18788 975 1 2 . 1 1 54 54 TYR C C 54 176.300 176.300 176.915 -0.615 18788 976 1 2 . 1 1 55 55 GLY N N 55 108.900 108.900 106.090 2.810 18788 977 1 2 . 1 1 55 55 GLY C C 55 174.300 174.300 171.647 2.653 18788 978 1 2 . 1 1 55 55 GLY CA C 55 48.400 48.400 43.989 4.410 18788 979 1 2 . 1 1 55 55 GLY H H 55 8.810 8.810 7.604 1.206 18788 980 1 2 . 1 1 57 57 GLU HA H 57 4.010 4.010 4.359 -0.349 18788 981 1 2 . 1 1 57 57 GLU C C 57 179.500 179.500 177.302 2.198 18788 982 1 2 . 1 1 57 57 GLU CA C 57 61.700 61.700 54.330 7.370 18788 983 1 2 . 1 1 58 58 ALA N N 58 125.000 125.000 128.478 -3.478 18788 984 1 2 . 1 1 58 58 ALA HA H 58 4.170 4.170 4.052 0.118 18788 985 1 2 . 1 1 58 58 ALA C C 58 178.700 178.700 179.509 -0.809 18788 986 1 2 . 1 1 58 58 ALA CA C 58 55.800 55.800 55.895 -0.095 18788 987 1 2 . 1 1 58 58 ALA CB C 58 18.200 18.200 18.810 -0.610 18788 988 1 2 . 1 1 58 58 ALA H H 58 8.940 8.940 8.862 0.078 18788 989 1 2 . 1 1 59 59 SER N N 59 111.900 111.900 115.292 -3.392 18788 990 1 2 . 1 1 59 59 SER HA H 59 3.740 3.740 4.266 -0.526 18788 991 1 2 . 1 1 59 59 SER C C 59 177.100 177.100 176.805 0.295 18788 992 1 2 . 1 1 59 59 SER CA C 59 62.000 62.000 62.184 -0.184 18788 993 1 2 . 1 1 59 59 SER CB C 59 62.900 62.900 62.849 0.051 18788 994 1 2 . 1 1 59 59 SER H H 59 8.340 8.340 8.878 -0.538 18788 995 1 2 . 1 1 60 60 ALA N N 60 122.900 122.900 124.423 -1.523 18788 996 1 2 . 1 1 60 60 ALA HA H 60 4.070 4.070 4.093 -0.023 18788 997 1 2 . 1 1 60 60 ALA C C 60 179.100 179.100 178.988 0.112 18788 998 1 2 . 1 1 60 60 ALA CA C 60 55.100 55.100 54.839 0.261 18788 999 1 2 . 1 1 60 60 ALA CB C 60 18.200 18.200 18.491 -0.291 18788 1000 1 2 . 1 1 60 60 ALA H H 60 8.440 8.440 8.415 0.025 18788 1001 1 2 . 1 1 61 61 PHE N N 61 121.700 121.700 119.438 2.262 18788 1002 1 2 . 1 1 61 61 PHE HA H 61 4.050 4.050 4.288 -0.238 18788 1003 1 2 . 1 1 61 61 PHE C C 61 178.100 178.100 177.317 0.783 18788 1004 1 2 . 1 1 61 61 PHE CA C 61 61.800 61.800 61.362 0.438 18788 1005 1 2 . 1 1 61 61 PHE CB C 61 39.800 39.800 39.488 0.312 18788 1006 1 2 . 1 1 61 61 PHE H H 61 8.190 8.190 8.858 -0.668 18788 1007 1 2 . 1 1 62 62 THR N N 62 120.200 120.200 116.245 3.955 18788 1008 1 2 . 1 1 62 62 THR HA H 62 3.560 3.560 3.786 -0.226 18788 1009 1 2 . 1 1 62 62 THR C C 62 175.300 175.300 176.476 -1.176 18788 1010 1 2 . 1 1 62 62 THR CA C 62 67.600 67.600 66.997 0.603 18788 1011 1 2 . 1 1 62 62 THR CB C 62 68.400 68.400 68.281 0.119 18788 1012 1 2 . 1 1 62 62 THR H H 62 8.540 8.540 8.629 -0.089 18788 1013 1 2 . 1 1 63 63 LYS N N 63 120.000 120.000 121.793 -1.793 18788 1014 1 2 . 1 1 63 63 LYS HA H 63 3.560 3.560 3.903 -0.343 18788 1015 1 2 . 1 1 63 63 LYS C C 63 176.800 176.800 178.720 -1.920 18788 1016 1 2 . 1 1 63 63 LYS CA C 63 60.400 60.400 59.688 0.712 18788 1017 1 2 . 1 1 63 63 LYS CB C 63 33.300 33.300 32.417 0.883 18788 1018 1 2 . 1 1 63 63 LYS H H 63 7.910 7.910 7.840 0.070 18788 1019 1 2 . 1 1 64 64 LYS N N 64 117.200 117.200 118.718 -1.518 18788 1020 1 2 . 1 1 64 64 LYS HA H 64 3.940 3.940 4.129 -0.189 18788 1021 1 2 . 1 1 64 64 LYS C C 64 178.700 178.700 179.484 -0.784 18788 1022 1 2 . 1 1 64 64 LYS CA C 64 59.200 59.200 58.691 0.509 18788 1023 1 2 . 1 1 64 64 LYS CB C 64 31.900 31.900 31.836 0.064 18788 1024 1 2 . 1 1 64 64 LYS H H 64 8.000 8.000 8.253 -0.253 18788 1025 1 2 . 1 1 65 65 MET N N 65 116.200 116.200 117.743 -1.543 18788 1026 1 2 . 1 1 65 65 MET HA H 65 3.890 3.890 4.036 -0.146 18788 1027 1 2 . 1 1 65 65 MET C C 65 179.200 179.200 178.240 0.960 18788 1028 1 2 . 1 1 65 65 MET CA C 65 59.800 59.800 57.526 2.274 18788 1029 1 2 . 1 1 65 65 MET CB C 65 32.200 32.200 31.575 0.625 18788 1030 1 2 . 1 1 65 65 MET H H 65 7.680 7.680 7.891 -0.211 18788 1031 1 2 . 1 1 66 66 VAL N N 66 107.700 107.700 113.590 -5.890 18788 1032 1 2 . 1 1 66 66 VAL HA H 66 4.150 4.150 3.813 0.337 18788 1033 1 2 . 1 1 66 66 VAL C C 66 177.500 177.500 177.584 -0.084 18788 1034 1 2 . 1 1 66 66 VAL CA C 66 64.300 64.300 64.859 -0.559 18788 1035 1 2 . 1 1 66 66 VAL CB C 66 31.100 31.100 30.578 0.522 18788 1036 1 2 . 1 1 66 66 VAL H H 66 8.220 8.220 7.559 0.661 18788 1037 1 2 . 1 1 67 67 GLU N N 67 121.000 121.000 119.478 1.522 18788 1038 1 2 . 1 1 67 67 GLU HA H 67 3.960 3.960 4.066 -0.106 18788 1039 1 2 . 1 1 67 67 GLU C C 67 178.000 178.000 177.842 0.158 18788 1040 1 2 . 1 1 67 67 GLU CA C 67 59.200 59.200 58.778 0.422 18788 1041 1 2 . 1 1 67 67 GLU CB C 67 29.100 29.100 29.740 -0.640 18788 1042 1 2 . 1 1 67 67 GLU H H 67 8.750 8.750 8.260 0.490 18788 1043 1 2 . 1 1 68 68 ASN N N 68 113.400 113.400 115.514 -2.114 18788 1044 1 2 . 1 1 68 68 ASN HA H 68 4.660 4.660 4.644 0.016 18788 1045 1 2 . 1 1 68 68 ASN C C 68 174.600 174.600 175.134 -0.534 18788 1046 1 2 . 1 1 68 68 ASN CA C 68 53.400 53.400 53.941 -0.541 18788 1047 1 2 . 1 1 68 68 ASN CB C 68 38.900 38.900 39.259 -0.359 18788 1048 1 2 . 1 1 68 68 ASN H H 68 7.400 7.400 7.831 -0.431 18788 1049 1 2 . 1 1 69 69 ALA N N 69 121.100 121.100 122.324 -1.224 18788 1050 1 2 . 1 1 69 69 ALA HA H 69 4.490 4.490 4.514 -0.024 18788 1051 1 2 . 1 1 69 69 ALA C C 69 177.800 177.800 177.998 -0.198 18788 1052 1 2 . 1 1 69 69 ALA CA C 69 51.400 51.400 52.511 -1.111 18788 1053 1 2 . 1 1 69 69 ALA CB C 69 19.200 19.200 19.073 0.127 18788 1054 1 2 . 1 1 69 69 ALA H H 69 6.680 6.680 7.275 -0.595 18788 1055 1 2 . 1 1 70 70 LYS N N 70 125.700 125.700 123.209 2.491 18788 1056 1 2 . 1 1 70 70 LYS HA H 70 4.370 4.370 4.135 0.235 18788 1057 1 2 . 1 1 70 70 LYS C C 70 177.800 177.800 176.818 0.982 18788 1058 1 2 . 1 1 70 70 LYS CA C 70 57.800 57.800 57.270 0.530 18788 1059 1 2 . 1 1 70 70 LYS CB C 70 32.000 32.000 32.821 -0.821 18788 1060 1 2 . 1 1 70 70 LYS H H 70 10.130 10.130 8.455 1.675 18788 1061 1 2 . 1 1 71 71 LYS N N 71 121.300 121.300 116.637 4.663 18788 1062 1 2 . 1 1 71 71 LYS HA H 71 4.660 4.660 4.499 0.161 18788 1063 1 2 . 1 1 71 71 LYS C C 71 174.600 174.600 174.447 0.153 18788 1064 1 2 . 1 1 71 71 LYS CA C 71 55.500 55.500 55.409 0.091 18788 1065 1 2 . 1 1 71 71 LYS CB C 71 35.400 35.400 35.017 0.383 18788 1066 1 2 . 1 1 71 71 LYS H H 71 8.920 8.920 7.475 1.445 18788 1067 1 2 . 1 1 72 72 ILE N N 72 128.900 128.900 124.827 4.073 18788 1068 1 2 . 1 1 72 72 ILE HA H 72 5.240 5.240 5.167 0.073 18788 1069 1 2 . 1 1 72 72 ILE C C 72 175.300 175.300 175.052 0.248 18788 1070 1 2 . 1 1 72 72 ILE CA C 72 58.700 58.700 60.113 -1.413 18788 1071 1 2 . 1 1 72 72 ILE CB C 72 38.100 38.100 39.816 -1.716 18788 1072 1 2 . 1 1 72 72 ILE H H 72 8.960 8.960 8.493 0.467 18788 1073 1 2 . 1 1 73 73 GLU N N 73 123.100 123.100 126.843 -3.743 18788 1074 1 2 . 1 1 73 73 GLU HA H 73 5.240 5.240 5.332 -0.092 18788 1075 1 2 . 1 1 73 73 GLU C C 73 174.900 174.900 175.586 -0.686 18788 1076 1 2 . 1 1 73 73 GLU CA C 73 53.600 53.600 54.297 -0.697 18788 1077 1 2 . 1 1 73 73 GLU CB C 73 36.200 36.200 33.611 2.588 18788 1078 1 2 . 1 1 73 73 GLU H H 73 8.810 8.810 9.120 -0.310 18788 1079 1 2 . 1 1 74 74 VAL N N 74 117.300 117.300 118.400 -1.100 18788 1080 1 2 . 1 1 74 74 VAL HA H 74 4.550 4.550 4.782 -0.232 18788 1081 1 2 . 1 1 74 74 VAL C C 74 174.000 174.000 174.303 -0.303 18788 1082 1 2 . 1 1 74 74 VAL CA C 74 59.500 59.500 59.641 -0.141 18788 1083 1 2 . 1 1 74 74 VAL CB C 74 34.200 34.200 32.913 1.287 18788 1084 1 2 . 1 1 74 74 VAL H H 74 9.510 9.510 9.094 0.416 18788 1085 1 2 . 1 1 75 75 GLU N N 75 126.900 126.900 127.917 -1.017 18788 1086 1 2 . 1 1 75 75 GLU HA H 75 5.160 5.160 5.066 0.094 18788 1087 1 2 . 1 1 75 75 GLU C C 75 175.600 175.600 175.515 0.085 18788 1088 1 2 . 1 1 75 75 GLU CA C 75 54.500 54.500 54.103 0.397 18788 1089 1 2 . 1 1 75 75 GLU CB C 75 35.900 35.900 32.408 3.492 18788 1090 1 2 . 1 1 75 75 GLU H H 75 8.860 8.860 9.182 -0.322 18788 1091 1 2 . 1 1 76 76 PHE N N 76 126.400 126.400 127.009 -0.609 18788 1092 1 2 . 1 1 76 76 PHE HA H 76 4.740 4.740 4.888 -0.148 18788 1093 1 2 . 1 1 76 76 PHE C C 76 175.600 175.600 175.895 -0.295 18788 1094 1 2 . 1 1 76 76 PHE CA C 76 59.500 59.500 58.467 1.033 18788 1095 1 2 . 1 1 76 76 PHE CB C 76 39.700 39.700 40.090 -0.390 18788 1096 1 2 . 1 1 76 76 PHE H H 76 8.770 8.770 8.628 0.142 18788 1097 1 2 . 1 1 77 77 ASP N N 77 123.000 123.000 123.105 -0.105 18788 1098 1 2 . 1 1 77 77 ASP HA H 77 5.310 5.310 4.953 0.357 18788 1099 1 2 . 1 1 77 77 ASP C C 77 177.600 177.600 176.875 0.725 18788 1100 1 2 . 1 1 77 77 ASP CA C 77 51.800 51.800 54.192 -2.392 18788 1101 1 2 . 1 1 77 77 ASP CB C 77 42.900 42.900 43.768 -0.868 18788 1102 1 2 . 1 1 77 77 ASP H H 77 9.310 9.310 8.976 0.334 18788 1103 1 2 . 1 1 78 78 LYS N N 78 119.100 119.100 118.909 0.191 18788 1104 1 2 . 1 1 78 78 LYS HA H 78 4.240 4.240 4.415 -0.175 18788 1105 1 2 . 1 1 78 78 LYS C C 78 177.100 177.100 177.093 0.007 18788 1106 1 2 . 1 1 78 78 LYS CA C 78 57.700 57.700 57.753 -0.053 18788 1107 1 2 . 1 1 78 78 LYS CB C 78 33.400 33.400 32.346 1.054 18788 1108 1 2 . 1 1 78 78 LYS H H 78 10.360 10.360 8.714 1.646 18788 1109 1 2 . 1 1 79 79 GLY N N 79 111.100 111.100 109.495 1.605 18788 1110 1 2 . 1 1 79 79 GLY C C 79 173.600 173.600 173.547 0.053 18788 1111 1 2 . 1 1 79 79 GLY CA C 79 44.500 44.500 44.593 -0.093 18788 1112 1 2 . 1 1 79 79 GLY H H 79 8.680 8.680 7.926 0.754 18788 1113 1 2 . 1 1 80 80 GLN N N 80 124.800 124.800 121.174 3.626 18788 1114 1 2 . 1 1 80 80 GLN HA H 80 4.140 4.140 4.500 -0.360 18788 1115 1 2 . 1 1 80 80 GLN C C 80 176.900 176.900 175.657 1.243 18788 1116 1 2 . 1 1 80 80 GLN CA C 80 57.200 57.200 55.658 1.542 18788 1117 1 2 . 1 1 80 80 GLN CB C 80 29.200 29.200 30.064 -0.864 18788 1118 1 2 . 1 1 80 80 GLN H H 80 8.800 8.800 8.282 0.518 18788 1119 1 2 . 1 1 81 81 ARG N N 81 120.700 120.700 122.159 -1.459 18788 1120 1 2 . 1 1 81 81 ARG HA H 81 4.620 4.620 4.213 0.407 18788 1121 1 2 . 1 1 81 81 ARG C C 81 176.200 176.200 175.351 0.849 18788 1122 1 2 . 1 1 81 81 ARG CA C 81 57.500 57.500 58.583 -1.083 18788 1123 1 2 . 1 1 81 81 ARG CB C 81 32.000 32.000 30.822 1.178 18788 1124 1 2 . 1 1 81 81 ARG H H 81 8.640 8.640 8.823 -0.183 18788 1125 1 2 . 1 1 82 82 THR N N 82 107.900 107.900 106.243 1.657 18788 1126 1 2 . 1 1 82 82 THR HA H 82 5.540 5.540 4.818 0.722 18788 1127 1 2 . 1 1 82 82 THR C C 82 174.600 174.600 173.669 0.931 18788 1128 1 2 . 1 1 82 82 THR CA C 82 58.400 58.400 59.989 -1.589 18788 1129 1 2 . 1 1 82 82 THR CB C 82 72.500 72.500 71.509 0.991 18788 1130 1 2 . 1 1 82 82 THR H H 82 7.300 7.300 7.389 -0.089 18788 1131 1 2 . 1 1 83 83 ASP N N 83 121.300 121.300 120.118 1.182 18788 1132 1 2 . 1 1 83 83 ASP HA H 83 4.660 4.660 4.773 -0.113 18788 1133 1 2 . 1 1 83 83 ASP C C 83 179.000 179.000 178.463 0.537 18788 1134 1 2 . 1 1 83 83 ASP CA C 83 51.700 51.700 52.656 -0.956 18788 1135 1 2 . 1 1 83 83 ASP CB C 83 42.100 42.100 43.276 -1.177 18788 1136 1 2 . 1 1 83 83 ASP H H 83 8.590 8.590 8.814 -0.224 18788 1137 1 2 . 1 1 85 85 TYR N N 85 119.300 119.300 118.432 0.868 18788 1138 1 2 . 1 1 85 85 TYR HA H 85 4.600 4.600 4.318 0.282 18788 1139 1 2 . 1 1 85 85 TYR C C 85 176.100 176.100 176.066 0.034 18788 1140 1 2 . 1 1 85 85 TYR CA C 85 57.100 57.100 58.901 -1.801 18788 1141 1 2 . 1 1 85 85 TYR CB C 85 37.900 37.900 38.547 -0.647 18788 1142 1 2 . 1 1 85 85 TYR H H 85 7.650 7.650 8.240 -0.590 18788 1143 1 2 . 1 1 86 86 GLY N N 86 108.500 108.500 106.705 1.795 18788 1144 1 2 . 1 1 86 86 GLY C C 86 174.400 174.400 173.807 0.593 18788 1145 1 2 . 1 1 86 86 GLY CA C 86 45.400 45.400 45.023 0.377 18788 1146 1 2 . 1 1 86 86 GLY H H 86 8.120 8.120 8.005 0.115 18788 1147 1 2 . 1 1 87 87 ARG N N 87 121.600 121.600 121.117 0.483 18788 1148 1 2 . 1 1 87 87 ARG HA H 87 4.430 4.430 4.601 -0.171 18788 1149 1 2 . 1 1 87 87 ARG C C 87 177.000 177.000 176.659 0.341 18788 1150 1 2 . 1 1 87 87 ARG CA C 87 55.300 55.300 55.454 -0.154 18788 1151 1 2 . 1 1 87 87 ARG CB C 87 30.000 30.000 30.673 -0.673 18788 1152 1 2 . 1 1 87 87 ARG H H 87 8.600 8.600 7.628 0.972 18788 1153 1 2 . 1 1 88 88 GLY N N 88 108.000 108.000 110.823 -2.823 18788 1154 1 2 . 1 1 88 88 GLY C C 88 171.800 171.800 172.586 -0.786 18788 1155 1 2 . 1 1 88 88 GLY CA C 88 44.800 44.800 44.251 0.549 18788 1156 1 2 . 1 1 88 88 GLY H H 88 8.780 8.780 8.397 0.383 18788 1157 1 2 . 1 1 89 89 LEU N N 89 125.100 125.100 124.844 0.256 18788 1158 1 2 . 1 1 89 89 LEU HA H 89 5.190 5.190 4.865 0.325 18788 1159 1 2 . 1 1 89 89 LEU C C 89 174.800 174.800 175.468 -0.668 18788 1160 1 2 . 1 1 89 89 LEU CA C 89 52.800 52.800 53.807 -1.007 18788 1161 1 2 . 1 1 89 89 LEU CB C 89 42.900 42.900 41.997 0.903 18788 1162 1 2 . 1 1 89 89 LEU H H 89 8.220 8.220 8.518 -0.298 18788 1163 1 2 . 1 1 90 90 ALA N N 90 119.900 119.900 124.316 -4.416 18788 1164 1 2 . 1 1 90 90 ALA HA H 90 4.790 4.790 4.659 0.131 18788 1165 1 2 . 1 1 90 90 ALA C C 90 177.000 177.000 175.693 1.307 18788 1166 1 2 . 1 1 90 90 ALA CA C 90 50.800 50.800 50.454 0.346 18788 1167 1 2 . 1 1 90 90 ALA CB C 90 23.700 23.700 22.216 1.484 18788 1168 1 2 . 1 1 90 90 ALA H H 90 7.400 7.400 8.032 -0.632 18788 1169 1 2 . 1 1 91 91 TYR N N 91 122.400 122.400 119.131 3.269 18788 1170 1 2 . 1 1 91 91 TYR HA H 91 4.650 4.650 4.692 -0.042 18788 1171 1 2 . 1 1 91 91 TYR C C 91 174.600 174.600 175.744 -1.144 18788 1172 1 2 . 1 1 91 91 TYR CA C 91 57.200 57.200 57.879 -0.679 18788 1173 1 2 . 1 1 91 91 TYR CB C 91 37.600 37.600 39.103 -1.503 18788 1174 1 2 . 1 1 91 91 TYR H H 91 9.000 9.000 8.844 0.156 18788 1175 1 2 . 1 1 92 92 ILE N N 92 122.200 122.200 124.529 -2.329 18788 1176 1 2 . 1 1 92 92 ILE HA H 92 4.950 4.950 4.641 0.309 18788 1177 1 2 . 1 1 92 92 ILE C C 92 173.700 173.700 175.109 -1.409 18788 1178 1 2 . 1 1 92 92 ILE CA C 92 58.700 58.700 60.544 -1.844 18788 1179 1 2 . 1 1 92 92 ILE CB C 92 38.900 38.900 39.155 -0.255 18788 1180 1 2 . 1 1 92 92 ILE H H 92 7.830 7.830 9.530 -1.700 18788 1181 1 2 . 1 1 93 93 TYR N N 93 126.200 126.200 127.340 -1.140 18788 1182 1 2 . 1 1 93 93 TYR HA H 93 5.080 5.080 5.066 0.014 18788 1183 1 2 . 1 1 93 93 TYR C C 93 173.900 173.900 174.617 -0.717 18788 1184 1 2 . 1 1 93 93 TYR CA C 93 56.500 56.500 55.899 0.601 18788 1185 1 2 . 1 1 93 93 TYR CB C 93 41.500 41.500 40.330 1.170 18788 1186 1 2 . 1 1 93 93 TYR H H 93 9.540 9.540 9.475 0.065 18788 1187 1 2 . 1 1 94 94 ALA N N 94 125.700 125.700 126.525 -0.825 18788 1188 1 2 . 1 1 94 94 ALA HA H 94 4.960 4.960 4.894 0.066 18788 1189 1 2 . 1 1 94 94 ALA C C 94 175.700 175.700 176.359 -0.659 18788 1190 1 2 . 1 1 94 94 ALA CA C 94 49.700 49.700 49.754 -0.054 18788 1191 1 2 . 1 1 94 94 ALA CB C 94 20.900 20.900 19.549 1.351 18788 1192 1 2 . 1 1 94 94 ALA H H 94 9.230 9.230 9.124 0.106 18788 1193 1 2 . 1 1 95 95 ASP N N 95 127.600 127.600 123.164 4.436 18788 1194 1 2 . 1 1 95 95 ASP HA H 95 4.430 4.430 4.276 0.154 18788 1195 1 2 . 1 1 95 95 ASP C C 95 176.100 176.100 176.424 -0.324 18788 1196 1 2 . 1 1 95 95 ASP CA C 95 56.500 56.500 54.946 1.554 18788 1197 1 2 . 1 1 95 95 ASP CB C 95 39.500 39.500 38.930 0.570 18788 1198 1 2 . 1 1 95 95 ASP H H 95 9.720 9.720 9.169 0.551 18788 1199 1 2 . 1 1 96 96 GLY N N 96 103.000 103.000 103.725 -0.725 18788 1200 1 2 . 1 1 96 96 GLY C C 96 173.800 173.800 174.547 -0.747 18788 1201 1 2 . 1 1 96 96 GLY CA C 96 45.400 45.400 44.954 0.446 18788 1202 1 2 . 1 1 96 96 GLY H H 96 9.420 9.420 8.914 0.506 18788 1203 1 2 . 1 1 97 97 LYS N N 97 121.400 121.400 123.558 -2.158 18788 1204 1 2 . 1 1 97 97 LYS HA H 97 4.670 4.670 4.535 0.135 18788 1205 1 2 . 1 1 97 97 LYS C C 97 176.000 176.000 175.290 0.710 18788 1206 1 2 . 1 1 97 97 LYS CA C 97 54.200 54.200 55.135 -0.935 18788 1207 1 2 . 1 1 97 97 LYS CB C 97 33.100 33.100 33.190 -0.090 18788 1208 1 2 . 1 1 97 97 LYS H H 97 7.870 7.870 7.978 -0.108 18788 1209 1 2 . 1 1 98 98 MET N N 98 127.000 127.000 127.140 -0.140 18788 1210 1 2 . 1 1 98 98 MET HA H 98 3.780 3.780 3.964 -0.184 18788 1211 1 2 . 1 1 98 98 MET C C 98 177.700 177.700 176.860 0.840 18788 1212 1 2 . 1 1 98 98 MET CA C 98 56.100 56.100 55.868 0.232 18788 1213 1 2 . 1 1 98 98 MET CB C 98 34.700 34.700 31.933 2.767 18788 1214 1 2 . 1 1 98 98 MET H H 98 9.280 9.280 8.965 0.315 18788 1215 1 2 . 1 1 99 99 VAL N N 99 103.700 103.700 128.712 -25.012 18788 1216 1 2 . 1 1 99 99 VAL HA H 99 3.730 3.730 3.471 0.259 18788 1217 1 2 . 1 1 99 99 VAL C C 99 177.200 177.200 177.244 -0.044 18788 1218 1 2 . 1 1 99 99 VAL CA C 99 66.100 66.100 67.026 -0.926 18788 1219 1 2 . 1 1 99 99 VAL CB C 99 32.400 32.400 31.379 1.021 18788 1220 1 2 . 1 1 99 99 VAL H H 99 10.190 10.190 9.049 1.141 18788 1221 1 2 . 1 1 100 100 ASN N N 100 108.600 108.600 116.942 -8.342 18788 1222 1 2 . 1 1 100 100 ASN HA H 100 4.080 4.080 4.328 -0.248 18788 1223 1 2 . 1 1 100 100 ASN C C 100 174.200 174.200 177.164 -2.964 18788 1224 1 2 . 1 1 100 100 ASN CA C 100 57.200 57.200 57.061 0.139 18788 1225 1 2 . 1 1 100 100 ASN CB C 100 34.700 34.700 38.040 -3.340 18788 1226 1 2 . 1 1 100 100 ASN H H 100 9.670 9.670 7.997 1.673 18788 1227 1 2 . 1 1 101 101 GLU N N 101 112.800 112.800 120.730 -7.930 18788 1228 1 2 . 1 1 101 101 GLU HA H 101 3.660 3.660 4.069 -0.409 18788 1229 1 2 . 1 1 101 101 GLU C C 101 176.100 176.100 178.066 -1.966 18788 1230 1 2 . 1 1 101 101 GLU CA C 101 59.800 59.800 58.992 0.807 18788 1231 1 2 . 1 1 101 101 GLU CB C 101 30.200 30.200 29.424 0.776 18788 1232 1 2 . 1 1 101 101 GLU H H 101 6.150 6.150 7.646 -1.496 18788 1233 1 2 . 1 1 102 102 ALA N N 102 122.600 122.600 123.339 -0.739 18788 1234 1 2 . 1 1 102 102 ALA HA H 102 4.070 4.070 4.145 -0.075 18788 1235 1 2 . 1 1 102 102 ALA C C 102 179.800 179.800 180.154 -0.354 18788 1236 1 2 . 1 1 102 102 ALA CA C 102 55.300 55.300 55.327 -0.027 18788 1237 1 2 . 1 1 102 102 ALA CB C 102 17.900 17.900 18.284 -0.384 18788 1238 1 2 . 1 1 102 102 ALA H H 102 7.810 7.810 8.061 -0.251 18788 1239 1 2 . 1 1 103 103 LEU N N 103 116.100 116.100 118.934 -2.834 18788 1240 1 2 . 1 1 103 103 LEU HA H 103 3.280 3.280 4.066 -0.786 18788 1241 1 2 . 1 1 103 103 LEU C C 103 178.900 178.900 179.171 -0.271 18788 1242 1 2 . 1 1 103 103 LEU CA C 103 57.800 57.800 58.036 -0.236 18788 1243 1 2 . 1 1 103 103 LEU CB C 103 45.500 45.500 41.527 3.973 18788 1244 1 2 . 1 1 103 103 LEU H H 103 8.070 8.070 8.696 -0.626 18788 1245 1 2 . 1 1 104 104 VAL N N 104 116.600 116.600 119.113 -2.513 18788 1246 1 2 . 1 1 104 104 VAL HA H 104 3.870 3.870 4.070 -0.200 18788 1247 1 2 . 1 1 104 104 VAL C C 104 180.300 180.300 178.870 1.430 18788 1248 1 2 . 1 1 104 104 VAL CA C 104 65.000 65.000 65.413 -0.413 18788 1249 1 2 . 1 1 104 104 VAL CB C 104 32.000 32.000 31.215 0.785 18788 1250 1 2 . 1 1 104 104 VAL H H 104 6.890 6.890 7.598 -0.708 18788 1251 1 2 . 1 1 105 105 ARG N N 105 122.400 122.400 119.684 2.716 18788 1252 1 2 . 1 1 105 105 ARG HA H 105 4.130 4.130 4.217 -0.087 18788 1253 1 2 . 1 1 105 105 ARG C C 105 176.000 176.000 178.472 -2.472 18788 1254 1 2 . 1 1 105 105 ARG CA C 105 57.000 57.000 58.888 -1.888 18788 1255 1 2 . 1 1 105 105 ARG CB C 105 28.300 28.300 30.260 -1.960 18788 1256 1 2 . 1 1 105 105 ARG H H 105 9.140 9.140 8.417 0.723 18788 1257 1 2 . 1 1 106 106 GLN N N 106 112.000 112.000 116.026 -4.026 18788 1258 1 2 . 1 1 106 106 GLN HA H 106 4.320 4.320 4.114 0.206 18788 1259 1 2 . 1 1 106 106 GLN C C 106 175.600 175.600 175.718 -0.118 18788 1260 1 2 . 1 1 106 106 GLN CA C 106 53.800 53.800 54.985 -1.185 18788 1261 1 2 . 1 1 106 106 GLN CB C 106 28.300 28.300 28.692 -0.393 18788 1262 1 2 . 1 1 106 106 GLN H H 106 7.120 7.120 8.025 -0.905 18788 1263 1 2 . 1 1 107 107 GLY N N 107 107.100 107.100 106.444 0.656 18788 1264 1 2 . 1 1 107 107 GLY C C 107 172.400 172.400 174.187 -1.787 18788 1265 1 2 . 1 1 107 107 GLY CA C 107 46.300 46.300 46.134 0.166 18788 1266 1 2 . 1 1 107 107 GLY H H 107 8.080 8.080 7.750 0.330 18788 1267 1 2 . 1 1 108 108 LEU N N 108 115.100 115.100 117.484 -2.384 18788 1268 1 2 . 1 1 108 108 LEU HA H 108 4.300 4.300 4.489 -0.189 18788 1269 1 2 . 1 1 108 108 LEU C C 108 172.500 172.500 174.671 -2.171 18788 1270 1 2 . 1 1 108 108 LEU CA C 108 53.300 53.300 54.057 -0.757 18788 1271 1 2 . 1 1 108 108 LEU CB C 108 43.500 43.500 43.289 0.211 18788 1272 1 2 . 1 1 108 108 LEU H H 108 7.810 7.810 8.676 -0.866 18788 1273 1 2 . 1 1 109 109 ALA N N 109 112.900 112.900 119.643 -6.743 18788 1274 1 2 . 1 1 109 109 ALA HA H 109 4.500 4.500 4.896 -0.396 18788 1275 1 2 . 1 1 109 109 ALA C C 109 174.800 174.800 175.807 -1.007 18788 1276 1 2 . 1 1 109 109 ALA CA C 109 49.900 49.900 50.407 -0.506 18788 1277 1 2 . 1 1 109 109 ALA CB C 109 24.900 24.900 22.096 2.804 18788 1278 1 2 . 1 1 109 109 ALA H H 109 6.950 6.950 7.470 -0.520 18788 1279 1 2 . 1 1 110 110 LYS N N 110 117.700 117.700 120.083 -2.383 18788 1280 1 2 . 1 1 110 110 LYS HA H 110 5.120 5.120 4.930 0.190 18788 1281 1 2 . 1 1 110 110 LYS C C 110 175.800 175.800 175.818 -0.018 18788 1282 1 2 . 1 1 110 110 LYS CA C 110 53.800 53.800 54.558 -0.758 18788 1283 1 2 . 1 1 110 110 LYS CB C 110 35.300 35.300 36.110 -0.810 18788 1284 1 2 . 1 1 110 110 LYS H H 110 7.890 7.890 8.898 -1.008 18788 1285 1 2 . 1 1 111 111 VAL N N 111 123.100 123.100 122.132 0.968 18788 1286 1 2 . 1 1 111 111 VAL HA H 111 4.630 4.630 4.592 0.038 18788 1287 1 2 . 1 1 111 111 VAL C C 111 176.500 176.500 175.904 0.596 18788 1288 1 2 . 1 1 111 111 VAL CA C 111 63.100 63.100 62.347 0.753 18788 1289 1 2 . 1 1 111 111 VAL CB C 111 30.600 30.600 30.849 -0.248 18788 1290 1 2 . 1 1 111 111 VAL H H 111 9.180 9.180 9.245 -0.065 18788 1291 1 2 . 1 1 112 112 ALA N N 112 131.500 131.500 129.949 1.551 18788 1292 1 2 . 1 1 112 112 ALA HA H 112 4.150 4.150 4.641 -0.491 18788 1293 1 2 . 1 1 112 112 ALA C C 112 173.300 173.300 175.997 -2.697 18788 1294 1 2 . 1 1 112 112 ALA CA C 112 51.300 51.300 50.339 0.961 18788 1295 1 2 . 1 1 112 112 ALA CB C 112 23.900 23.900 21.619 2.281 18788 1296 1 2 . 1 1 112 112 ALA H H 112 8.000 8.000 8.656 -0.656 18788 1297 1 2 . 1 1 114 114 VAL N N 114 123.100 123.100 124.565 -1.465 18788 1298 1 2 . 1 1 114 114 VAL HA H 114 3.550 3.550 3.821 -0.271 18788 1299 1 2 . 1 1 114 114 VAL C C 114 174.600 174.600 175.753 -1.153 18788 1300 1 2 . 1 1 114 114 VAL CA C 114 62.000 62.000 62.848 -0.848 18788 1301 1 2 . 1 1 114 114 VAL CB C 114 30.300 30.300 31.362 -1.062 18788 1302 1 2 . 1 1 114 114 VAL H H 114 7.480 7.480 8.107 -0.627 18788 1303 1 2 . 1 1 115 115 TYR N N 115 130.100 130.100 129.732 0.368 18788 1304 1 2 . 1 1 115 115 TYR HA H 115 4.940 4.940 4.603 0.337 18788 1305 1 2 . 1 1 115 115 TYR C C 115 175.700 175.700 175.360 0.340 18788 1306 1 2 . 1 1 115 115 TYR CA C 115 54.900 54.900 56.392 -1.492 18788 1307 1 2 . 1 1 115 115 TYR CB C 115 38.200 38.200 36.880 1.320 18788 1308 1 2 . 1 1 115 115 TYR H H 115 8.970 8.970 8.401 0.569 18788 1309 1 2 . 1 1 116 116 LYS N N 116 125.400 125.400 125.268 0.132 18788 1310 1 2 . 1 1 116 116 LYS HA H 116 3.940 3.940 4.455 -0.515 18788 1311 1 2 . 1 1 116 116 LYS C C 116 175.100 175.100 176.223 -1.123 18788 1312 1 2 . 1 1 116 116 LYS CA C 116 56.400 56.400 55.265 1.135 18788 1313 1 2 . 1 1 116 116 LYS CB C 116 31.600 31.600 32.192 -0.592 18788 1314 1 2 . 1 1 116 116 LYS H H 116 8.770 8.770 8.120 0.650 18788 1315 1 2 . 1 1 117 117 PRO HA H 117 4.620 4.620 4.567 0.053 18788 1316 1 2 . 1 1 117 117 PRO C C 117 175.600 175.600 176.227 -0.627 18788 1317 1 2 . 1 1 117 117 PRO CA C 117 64.100 64.100 63.169 0.931 18788 1318 1 2 . 1 1 117 117 PRO CB C 117 32.600 32.600 32.027 0.573 18788 1319 1 2 . 1 1 118 118 ASN N N 118 128.800 128.800 120.596 8.204 18788 1320 1 2 . 1 1 118 118 ASN HA H 118 5.310 5.310 5.033 0.277 18788 1321 1 2 . 1 1 118 118 ASN C C 118 174.500 174.500 173.916 0.584 18788 1322 1 2 . 1 1 118 118 ASN CA C 118 51.600 51.600 53.824 -2.224 18788 1323 1 2 . 1 1 118 118 ASN CB C 118 36.200 36.200 37.032 -0.832 18788 1324 1 2 . 1 1 118 118 ASN H H 118 8.710 8.710 7.966 0.744 18788 1325 1 2 . 1 1 119 119 ASN N N 119 117.600 117.600 116.022 1.578 18788 1326 1 2 . 1 1 119 119 ASN HA H 119 5.020 5.020 5.024 -0.004 18788 1327 1 2 . 1 1 119 119 ASN C C 119 177.500 177.500 176.438 1.062 18788 1328 1 2 . 1 1 119 119 ASN CA C 119 51.900 51.900 53.194 -1.294 18788 1329 1 2 . 1 1 119 119 ASN CB C 119 39.100 39.100 40.026 -0.926 18788 1330 1 2 . 1 1 119 119 ASN H H 119 8.120 8.120 8.315 -0.195 18788 1331 1 2 . 1 1 120 120 THR N N 120 124.400 124.400 118.425 5.975 18788 1332 1 2 . 1 1 120 120 THR HA H 120 3.850 3.850 4.051 -0.201 18788 1333 1 2 . 1 1 120 120 THR C C 120 176.400 176.400 174.977 1.423 18788 1334 1 2 . 1 1 120 120 THR CA C 120 69.100 69.100 66.708 2.392 18788 1335 1 2 . 1 1 120 120 THR CB C 120 66.800 66.800 68.551 -1.751 18788 1336 1 2 . 1 1 120 120 THR H H 120 10.730 10.730 8.995 1.735 18788 1337 1 2 . 1 1 121 121 HIS N N 121 113.400 113.400 117.185 -3.785 18788 1338 1 2 . 1 1 121 121 HIS HA H 121 5.420 5.420 4.863 0.557 18788 1339 1 2 . 1 1 121 121 HIS C C 121 174.800 174.800 175.437 -0.637 18788 1340 1 2 . 1 1 121 121 HIS CA C 121 53.900 53.900 55.306 -1.406 18788 1341 1 2 . 1 1 121 121 HIS CB C 121 29.400 29.400 29.861 -0.461 18788 1342 1 2 . 1 1 121 121 HIS H H 121 6.860 6.860 7.563 -0.703 18788 1343 1 2 . 1 1 122 122 GLU N N 122 120.200 120.200 121.819 -1.619 18788 1344 1 2 . 1 1 122 122 GLU HA H 122 3.700 3.700 3.908 -0.208 18788 1345 1 2 . 1 1 122 122 GLU C C 122 177.200 177.200 178.118 -0.918 18788 1346 1 2 . 1 1 122 122 GLU CA C 122 61.200 61.200 60.672 0.528 18788 1347 1 2 . 1 1 122 122 GLU CB C 122 29.900 29.900 29.633 0.267 18788 1348 1 2 . 1 1 122 122 GLU H H 122 7.540 7.540 7.724 -0.184 18788 1349 1 2 . 1 1 123 123 GLN N N 123 117.200 117.200 116.696 0.504 18788 1350 1 2 . 1 1 123 123 GLN HA H 123 3.970 3.970 4.136 -0.166 18788 1351 1 2 . 1 1 123 123 GLN C C 123 178.600 178.600 178.593 0.007 18788 1352 1 2 . 1 1 123 123 GLN CA C 123 59.500 59.500 58.429 1.071 18788 1353 1 2 . 1 1 123 123 GLN CB C 123 27.100 27.100 27.837 -0.737 18788 1354 1 2 . 1 1 123 123 GLN H H 123 8.920 8.920 8.665 0.255 18788 1355 1 2 . 1 1 124 124 LEU N N 124 122.000 122.000 121.420 0.580 18788 1356 1 2 . 1 1 124 124 LEU HA H 124 4.090 4.090 4.154 -0.064 18788 1357 1 2 . 1 1 124 124 LEU C C 124 179.100 179.100 178.453 0.647 18788 1358 1 2 . 1 1 124 124 LEU CA C 124 58.600 58.600 57.375 1.225 18788 1359 1 2 . 1 1 124 124 LEU CB C 124 42.000 42.000 41.753 0.247 18788 1360 1 2 . 1 1 124 124 LEU H H 124 7.940 7.940 7.814 0.126 18788 1361 1 2 . 1 1 125 125 LEU N N 125 118.900 118.900 119.487 -0.587 18788 1362 1 2 . 1 1 125 125 LEU HA H 125 4.000 4.000 3.892 0.108 18788 1363 1 2 . 1 1 125 125 LEU C C 125 179.200 179.200 179.153 0.047 18788 1364 1 2 . 1 1 125 125 LEU CA C 125 58.900 58.900 58.229 0.671 18788 1365 1 2 . 1 1 125 125 LEU CB C 125 41.100 41.100 41.307 -0.207 18788 1366 1 2 . 1 1 125 125 LEU H H 125 8.030 8.030 8.144 -0.114 18788 1367 1 2 . 1 1 126 126 ARG N N 126 118.800 118.800 118.512 0.288 18788 1368 1 2 . 1 1 126 126 ARG HA H 126 4.030 4.030 3.919 0.111 18788 1369 1 2 . 1 1 126 126 ARG C C 126 179.700 179.700 178.449 1.251 18788 1370 1 2 . 1 1 126 126 ARG CA C 126 60.600 60.600 59.982 0.618 18788 1371 1 2 . 1 1 126 126 ARG CB C 126 29.100 29.100 29.787 -0.687 18788 1372 1 2 . 1 1 126 126 ARG H H 126 9.010 9.010 8.478 0.532 18788 1373 1 2 . 1 1 127 127 LYS N N 127 122.700 122.700 120.399 2.301 18788 1374 1 2 . 1 1 127 127 LYS HA H 127 4.150 4.150 4.003 0.147 18788 1375 1 2 . 1 1 127 127 LYS C C 127 179.800 179.800 178.920 0.880 18788 1376 1 2 . 1 1 127 127 LYS CA C 127 60.100 60.100 59.430 0.670 18788 1377 1 2 . 1 1 127 127 LYS CB C 127 31.700 31.700 32.274 -0.574 18788 1378 1 2 . 1 1 127 127 LYS H H 127 8.160 8.160 7.658 0.502 18788 1379 1 2 . 1 1 128 128 SER N N 128 118.300 118.300 115.771 2.529 18788 1380 1 2 . 1 1 128 128 SER HA H 128 4.320 4.320 4.139 0.181 18788 1381 1 2 . 1 1 128 128 SER C C 128 175.500 175.500 176.216 -0.716 18788 1382 1 2 . 1 1 128 128 SER CA C 128 63.600 63.600 62.154 1.446 18788 1383 1 2 . 1 1 128 128 SER CB C 128 62.600 62.600 63.133 -0.533 18788 1384 1 2 . 1 1 128 128 SER H H 128 7.830 7.830 8.215 -0.385 18788 1385 1 2 . 1 1 129 129 GLU N N 129 125.200 125.200 123.062 2.138 18788 1386 1 2 . 1 1 129 129 GLU HA H 129 3.900 3.900 4.083 -0.183 18788 1387 1 2 . 1 1 129 129 GLU C C 129 177.400 177.400 178.217 -0.817 18788 1388 1 2 . 1 1 129 129 GLU CA C 129 59.200 59.200 59.273 -0.073 18788 1389 1 2 . 1 1 129 129 GLU CB C 129 30.900 30.900 29.727 1.173 18788 1390 1 2 . 1 1 129 129 GLU H H 129 8.580 8.580 8.256 0.324 18788 1391 1 2 . 1 1 130 130 ALA N N 130 119.500 119.500 121.912 -2.412 18788 1392 1 2 . 1 1 130 130 ALA HA H 130 3.850 3.850 3.781 0.069 18788 1393 1 2 . 1 1 130 130 ALA C C 130 181.000 181.000 179.552 1.448 18788 1394 1 2 . 1 1 130 130 ALA CA C 130 55.000 55.000 55.169 -0.169 18788 1395 1 2 . 1 1 130 130 ALA CB C 130 17.600 17.600 17.779 -0.179 18788 1396 1 2 . 1 1 130 130 ALA H H 130 7.950 7.950 8.194 -0.244 18788 1397 1 2 . 1 1 131 131 GLN N N 131 118.600 118.600 118.831 -0.231 18788 1398 1 2 . 1 1 131 131 GLN HA H 131 3.990 3.990 3.960 0.030 18788 1399 1 2 . 1 1 131 131 GLN C C 131 177.200 177.200 178.029 -0.829 18788 1400 1 2 . 1 1 131 131 GLN CA C 131 58.800 58.800 58.916 -0.116 18788 1401 1 2 . 1 1 131 131 GLN CB C 131 28.000 28.000 28.590 -0.590 18788 1402 1 2 . 1 1 131 131 GLN H H 131 7.520 7.520 8.025 -0.505 18788 1403 1 2 . 1 1 132 132 ALA N N 132 123.100 123.100 121.956 1.144 18788 1404 1 2 . 1 1 132 132 ALA HA H 132 3.930 3.930 4.031 -0.101 18788 1405 1 2 . 1 1 132 132 ALA C C 132 179.500 179.500 179.502 -0.002 18788 1406 1 2 . 1 1 132 132 ALA CA C 132 55.600 55.600 55.047 0.553 18788 1407 1 2 . 1 1 132 132 ALA CB C 132 18.400 18.400 18.466 -0.066 18788 1408 1 2 . 1 1 132 132 ALA H H 132 8.000 8.000 7.835 0.165 18788 1409 1 2 . 1 1 133 133 LYS N N 133 117.200 117.200 118.352 -1.152 18788 1410 1 2 . 1 1 133 133 LYS HA H 133 3.450 3.450 3.556 -0.106 18788 1411 1 2 . 1 1 133 133 LYS C C 133 180.800 180.800 179.509 1.291 18788 1412 1 2 . 1 1 133 133 LYS CA C 133 59.500 59.500 59.321 0.179 18788 1413 1 2 . 1 1 133 133 LYS CB C 133 32.200 32.200 31.982 0.218 18788 1414 1 2 . 1 1 133 133 LYS H H 133 8.170 8.170 7.915 0.255 18788 1415 1 2 . 1 1 134 134 LYS N N 134 122.600 122.600 119.327 3.273 18788 1416 1 2 . 1 1 134 134 LYS HA H 134 3.960 3.960 4.064 -0.104 18788 1417 1 2 . 1 1 134 134 LYS C C 134 178.700 178.700 178.299 0.401 18788 1418 1 2 . 1 1 134 134 LYS CA C 134 59.200 59.200 58.787 0.413 18788 1419 1 2 . 1 1 134 134 LYS CB C 134 32.200 32.200 32.029 0.171 18788 1420 1 2 . 1 1 134 134 LYS H H 134 7.830 7.830 7.917 -0.087 18788 1421 1 2 . 1 1 135 135 GLU N N 135 116.500 116.500 116.899 -0.399 18788 1422 1 2 . 1 1 135 135 GLU HA H 135 4.030 4.030 4.413 -0.383 18788 1423 1 2 . 1 1 135 135 GLU C C 135 174.500 174.500 174.965 -0.465 18788 1424 1 2 . 1 1 135 135 GLU CA C 135 56.700 56.700 55.900 0.800 18788 1425 1 2 . 1 1 135 135 GLU CB C 135 29.700 29.700 29.748 -0.048 18788 1426 1 2 . 1 1 135 135 GLU H H 135 7.680 7.680 7.546 0.134 18788 1427 1 2 . 1 1 136 136 LYS N N 136 116.800 116.800 117.180 -0.380 18788 1428 1 2 . 1 1 136 136 LYS HA H 136 3.540 3.540 4.047 -0.507 18788 1429 1 2 . 1 1 136 136 LYS C C 136 175.000 175.000 176.044 -1.044 18788 1430 1 2 . 1 1 136 136 LYS CA C 136 56.800 56.800 56.632 0.168 18788 1431 1 2 . 1 1 136 136 LYS CB C 136 28.800 28.800 29.366 -0.566 18788 1432 1 2 . 1 1 136 136 LYS H H 136 7.820 7.820 7.813 0.007 18788 1433 1 2 . 1 1 137 137 LEU N N 137 117.000 117.000 119.653 -2.653 18788 1434 1 2 . 1 1 137 137 LEU HA H 137 4.190 4.190 4.193 -0.003 18788 1435 1 2 . 1 1 137 137 LEU C C 137 178.500 178.500 178.135 0.365 18788 1436 1 2 . 1 1 137 137 LEU CA C 137 55.000 55.000 55.414 -0.414 18788 1437 1 2 . 1 1 137 137 LEU CB C 137 44.000 44.000 41.877 2.123 18788 1438 1 2 . 1 1 137 137 LEU H H 137 7.650 7.650 8.588 -0.938 18788 1439 1 2 . 1 1 138 138 ASN N N 138 118.700 118.700 119.613 -0.913 18788 1440 1 2 . 1 1 138 138 ASN HA H 138 3.730 3.730 4.331 -0.601 18788 1441 1 2 . 1 1 138 138 ASN C C 138 176.300 176.300 178.102 -1.802 18788 1442 1 2 . 1 1 138 138 ASN CA C 138 56.600 56.600 56.597 0.003 18788 1443 1 2 . 1 1 138 138 ASN CB C 138 38.700 38.700 38.516 0.184 18788 1444 1 2 . 1 1 138 138 ASN H H 138 9.050 9.050 8.726 0.324 18788 1445 1 2 . 1 1 139 139 ILE N N 139 123.800 123.800 113.705 10.095 18788 1446 1 2 . 1 1 139 139 ILE HA H 139 3.380 3.380 3.938 -0.558 18788 1447 1 2 . 1 1 139 139 ILE C C 139 176.700 176.700 175.792 0.908 18788 1448 1 2 . 1 1 139 139 ILE CA C 139 65.700 65.700 62.995 2.705 18788 1449 1 2 . 1 1 139 139 ILE CB C 139 37.000 37.000 37.320 -0.320 18788 1450 1 2 . 1 1 139 139 ILE H H 139 8.350 8.350 7.956 0.394 18788 1451 1 2 . 1 1 140 140 TRP N N 140 119.700 119.700 119.804 -0.104 18788 1452 1 2 . 1 1 140 140 TRP HA H 140 4.940 4.940 4.811 0.129 18788 1453 1 2 . 1 1 140 140 TRP C C 140 176.200 176.200 177.720 -1.520 18788 1454 1 2 . 1 1 140 140 TRP CA C 140 54.900 54.900 56.345 -1.445 18788 1455 1 2 . 1 1 140 140 TRP CB C 140 30.000 30.000 30.304 -0.304 18788 1456 1 2 . 1 1 140 140 TRP H H 140 7.850 7.850 8.086 -0.236 18788 1457 1 2 . 1 1 141 141 SER N N 141 116.100 116.100 116.493 -0.393 18788 1458 1 2 . 1 1 141 141 SER HA H 141 4.220 4.220 4.534 -0.314 18788 1459 1 2 . 1 1 141 141 SER C C 141 175.200 175.200 173.833 1.367 18788 1460 1 2 . 1 1 141 141 SER CA C 141 59.800 59.800 58.939 0.861 18788 1461 1 2 . 1 1 141 141 SER CB C 141 64.600 64.600 60.948 3.652 18788 1462 1 2 . 1 1 141 141 SER H H 141 8.080 8.080 7.968 0.112 18788 1463 1 2 . 1 1 142 142 GLU N N 142 121.200 121.200 121.253 -0.053 18788 1464 1 2 . 1 1 142 142 GLU HA H 142 4.430 4.430 4.225 0.205 18788 1465 1 2 . 1 1 142 142 GLU C C 142 176.200 176.200 176.075 0.125 18788 1466 1 2 . 1 1 142 142 GLU CA C 142 56.100 56.100 56.644 -0.544 18788 1467 1 2 . 1 1 142 142 GLU CB C 142 30.500 30.500 30.382 0.118 18788 1468 1 2 . 1 1 142 142 GLU H H 142 8.020 8.020 7.818 0.202 18788 1469 1 2 . 1 1 143 143 ASP N N 143 121.400 121.400 124.858 -3.458 18788 1470 1 2 . 1 1 143 143 ASP HA H 143 4.620 4.620 4.692 -0.072 18788 1471 1 2 . 1 1 143 143 ASP C C 143 176.100 176.100 177.372 -1.272 18788 1472 1 2 . 1 1 143 143 ASP CA C 143 54.800 54.800 53.219 1.581 18788 1473 1 2 . 1 1 143 143 ASP CB C 143 41.200 41.200 42.705 -1.505 18788 1474 1 2 . 1 1 143 143 ASP H H 143 8.370 8.370 8.397 -0.027 18788 1475 1 2 . 1 1 144 144 ASN N N 144 119.300 119.300 120.462 -1.162 18788 1476 1 2 . 1 1 144 144 ASN HA H 144 4.760 4.760 4.516 0.244 18788 1477 1 2 . 1 1 144 144 ASN C C 144 175.200 175.200 175.247 -0.047 18788 1478 1 2 . 1 1 144 144 ASN CA C 144 53.200 53.200 55.245 -2.045 18788 1479 1 2 . 1 1 144 144 ASN CB C 144 39.000 39.000 38.100 0.900 18788 1480 1 2 . 1 1 144 144 ASN H H 144 8.400 8.400 8.789 -0.389 18788 1481 1 2 . 1 1 145 145 ALA N N 145 124.300 124.300 121.352 2.948 18788 1482 1 2 . 1 1 145 145 ALA HA H 145 4.310 4.310 4.275 0.035 18788 1483 1 2 . 1 1 145 145 ALA C C 145 177.700 177.700 177.272 0.428 18788 1484 1 2 . 1 1 145 145 ALA CA C 145 53.300 53.300 52.967 0.333 18788 1485 1 2 . 1 1 145 145 ALA CB C 145 19.200 19.200 20.196 -0.996 18788 1486 1 2 . 1 1 145 145 ALA H H 145 8.240 8.240 8.061 0.179 18788 1487 1 2 . 1 1 146 146 ASP N N 146 119.200 119.200 115.161 4.039 18788 1488 1 2 . 1 1 146 146 ASP HA H 146 4.670 4.670 4.600 0.070 18788 1489 1 2 . 1 1 146 146 ASP C C 146 176.400 176.400 174.529 1.871 18788 1490 1 2 . 1 1 146 146 ASP CA C 146 54.400 54.400 54.554 -0.154 18788 1491 1 2 . 1 1 146 146 ASP CB C 146 41.200 41.200 41.993 -0.793 18788 1492 1 2 . 1 1 146 146 ASP H H 146 8.340 8.340 9.184 -0.844 18788 1493 1 2 . 1 1 147 147 SER N N 147 116.100 116.100 115.053 1.047 18788 1494 1 2 . 1 1 147 147 SER HA H 147 4.450 4.450 4.254 0.196 18788 1495 1 2 . 1 1 147 147 SER C C 147 175.200 175.200 173.799 1.401 18788 1496 1 2 . 1 1 147 147 SER CA C 147 58.900 58.900 59.116 -0.216 18788 1497 1 2 . 1 1 147 147 SER CB C 147 64.100 64.100 63.017 1.083 18788 1498 1 2 . 1 1 147 147 SER H H 147 8.220 8.220 8.447 -0.227 18788 1499 1 2 . 1 1 148 148 GLY N N 148 111.200 111.200 109.668 1.532 18788 1500 1 2 . 1 1 148 148 GLY C C 148 173.400 173.400 172.760 0.640 18788 1501 1 2 . 1 1 148 148 GLY CA C 148 45.500 45.500 45.210 0.290 18788 1502 1 2 . 1 1 148 148 GLY H H 148 8.470 8.470 7.965 0.505 18788 1503 1 3 . 1 1 2 2 THR N N 2 120.300 120.300 118.682 1.618 18788 1504 1 3 . 1 1 2 2 THR HA H 2 4.430 4.430 3.720 0.710 18788 1505 1 3 . 1 1 2 2 THR C C 2 174.400 174.400 174.411 -0.011 18788 1506 1 3 . 1 1 2 2 THR CA C 2 62.100 62.100 61.952 0.148 18788 1507 1 3 . 1 1 2 2 THR CB C 2 69.900 69.900 69.632 0.268 18788 1508 1 3 . 1 1 2 2 THR H H 2 8.320 8.320 8.208 0.112 18788 1509 1 3 . 1 1 3 3 SER N N 3 118.700 118.700 119.418 -0.718 18788 1510 1 3 . 1 1 3 3 SER HA H 3 5.000 5.000 4.734 0.266 18788 1511 1 3 . 1 1 3 3 SER CA C 3 58.400 58.400 56.759 1.641 18788 1512 1 3 . 1 1 3 3 SER CB C 3 68.800 68.800 64.225 4.575 18788 1513 1 3 . 1 1 3 3 SER H H 3 8.520 8.520 8.283 0.237 18788 1514 1 3 . 1 1 4 4 THR HA H 4 4.380 4.380 4.239 0.141 18788 1515 1 3 . 1 1 4 4 THR C C 4 174.400 174.400 173.574 0.826 18788 1516 1 3 . 1 1 4 4 THR CA C 4 62.000 62.000 63.451 -1.451 18788 1517 1 3 . 1 1 4 4 THR CB C 4 69.700 69.700 68.359 1.341 18788 1518 1 3 . 1 1 5 5 LYS N N 5 124.000 124.000 119.896 4.104 18788 1519 1 3 . 1 1 5 5 LYS HA H 5 4.370 4.370 3.872 0.498 18788 1520 1 3 . 1 1 5 5 LYS C C 5 176.100 176.100 175.336 0.764 18788 1521 1 3 . 1 1 5 5 LYS CA C 5 56.500 56.500 57.499 -0.999 18788 1522 1 3 . 1 1 5 5 LYS CB C 5 32.900 32.900 30.094 2.806 18788 1523 1 3 . 1 1 5 5 LYS H H 5 8.320 8.320 8.513 -0.193 18788 1524 1 3 . 1 1 6 6 LYS N N 6 122.500 122.500 116.486 6.014 18788 1525 1 3 . 1 1 6 6 LYS HA H 6 4.400 4.400 4.605 -0.205 18788 1526 1 3 . 1 1 6 6 LYS C C 6 176.200 176.200 175.325 0.875 18788 1527 1 3 . 1 1 6 6 LYS CA C 6 55.900 55.900 54.253 1.647 18788 1528 1 3 . 1 1 6 6 LYS CB C 6 33.600 33.600 35.885 -2.285 18788 1529 1 3 . 1 1 6 6 LYS H H 6 8.220 8.220 7.401 0.819 18788 1530 1 3 . 1 1 7 7 LEU N N 7 122.200 122.200 118.325 3.875 18788 1531 1 3 . 1 1 7 7 LEU HA H 7 4.550 4.550 5.543 -0.993 18788 1532 1 3 . 1 1 7 7 LEU C C 7 176.600 176.600 177.163 -0.563 18788 1533 1 3 . 1 1 7 7 LEU CA C 7 54.800 54.800 54.534 0.266 18788 1534 1 3 . 1 1 7 7 LEU CB C 7 41.500 41.500 42.952 -1.452 18788 1535 1 3 . 1 1 7 7 LEU H H 7 8.340 8.340 8.543 -0.203 18788 1536 1 3 . 1 1 8 8 HIS N N 8 119.200 119.200 115.509 3.691 18788 1537 1 3 . 1 1 8 8 HIS HA H 8 4.990 4.990 4.999 -0.009 18788 1538 1 3 . 1 1 8 8 HIS C C 8 173.700 173.700 173.719 -0.019 18788 1539 1 3 . 1 1 8 8 HIS CA C 8 55.300 55.300 54.570 0.730 18788 1540 1 3 . 1 1 8 8 HIS CB C 8 32.200 32.200 32.346 -0.145 18788 1541 1 3 . 1 1 8 8 HIS H H 8 8.860 8.860 8.718 0.142 18788 1542 1 3 . 1 1 9 9 LYS N N 9 124.000 124.000 124.212 -0.212 18788 1543 1 3 . 1 1 9 9 LYS HA H 9 4.840 4.840 4.666 0.174 18788 1544 1 3 . 1 1 9 9 LYS C C 9 176.400 176.400 176.319 0.081 18788 1545 1 3 . 1 1 9 9 LYS CA C 9 55.700 55.700 55.873 -0.173 18788 1546 1 3 . 1 1 9 9 LYS CB C 9 34.700 34.700 33.383 1.317 18788 1547 1 3 . 1 1 9 9 LYS H H 9 8.480 8.480 8.674 -0.194 18788 1548 1 3 . 1 1 10 10 GLU N N 10 123.100 123.100 123.832 -0.732 18788 1549 1 3 . 1 1 10 10 GLU HA H 10 5.060 5.060 5.035 0.025 18788 1550 1 3 . 1 1 10 10 GLU C C 10 173.200 173.200 174.502 -1.302 18788 1551 1 3 . 1 1 10 10 GLU CA C 10 53.400 53.400 52.923 0.477 18788 1552 1 3 . 1 1 10 10 GLU CB C 10 33.000 33.000 32.078 0.922 18788 1553 1 3 . 1 1 10 10 GLU H H 10 9.390 9.390 9.046 0.344 18788 1554 1 3 . 1 1 11 11 PRO HA H 11 4.900 4.900 4.737 0.163 18788 1555 1 3 . 1 1 11 11 PRO C C 11 175.400 175.400 175.569 -0.169 18788 1556 1 3 . 1 1 11 11 PRO CA C 11 63.100 63.100 63.067 0.033 18788 1557 1 3 . 1 1 11 11 PRO CB C 11 33.000 33.000 32.205 0.796 18788 1558 1 3 . 1 1 12 12 ALA N N 12 119.700 119.700 125.433 -5.733 18788 1559 1 3 . 1 1 12 12 ALA HA H 12 4.990 4.990 4.994 -0.004 18788 1560 1 3 . 1 1 12 12 ALA C C 12 175.400 175.400 175.611 -0.211 18788 1561 1 3 . 1 1 12 12 ALA CA C 12 51.600 51.600 50.703 0.897 18788 1562 1 3 . 1 1 12 12 ALA CB C 12 24.600 24.600 23.459 1.141 18788 1563 1 3 . 1 1 12 12 ALA H H 12 8.070 8.070 9.068 -0.998 18788 1564 1 3 . 1 1 13 13 THR N N 13 109.100 109.100 114.447 -5.347 18788 1565 1 3 . 1 1 13 13 THR HA H 13 4.700 4.700 4.722 -0.022 18788 1566 1 3 . 1 1 13 13 THR C C 13 174.000 174.000 173.322 0.678 18788 1567 1 3 . 1 1 13 13 THR CA C 13 60.700 60.700 61.626 -0.925 18788 1568 1 3 . 1 1 13 13 THR CB C 13 71.600 71.600 71.849 -0.249 18788 1569 1 3 . 1 1 13 13 THR H H 13 8.090 8.090 8.198 -0.108 18788 1570 1 3 . 1 1 14 14 LEU N N 14 125.200 125.200 127.640 -2.440 18788 1571 1 3 . 1 1 14 14 LEU HA H 14 4.140 4.140 4.254 -0.114 18788 1572 1 3 . 1 1 14 14 LEU C C 14 176.700 176.700 175.679 1.021 18788 1573 1 3 . 1 1 14 14 LEU CA C 14 56.800 56.800 55.843 0.957 18788 1574 1 3 . 1 1 14 14 LEU CB C 14 42.900 42.900 43.048 -0.148 18788 1575 1 3 . 1 1 14 14 LEU H H 14 9.150 9.150 8.706 0.444 18788 1576 1 3 . 1 1 15 15 ILE N N 15 125.200 125.200 124.788 0.412 18788 1577 1 3 . 1 1 15 15 ILE HA H 15 4.220 4.220 4.141 0.079 18788 1578 1 3 . 1 1 15 15 ILE C C 15 175.900 175.900 175.968 -0.068 18788 1579 1 3 . 1 1 15 15 ILE CA C 15 64.300 64.300 62.482 1.818 18788 1580 1 3 . 1 1 15 15 ILE CB C 15 38.700 38.700 39.049 -0.349 18788 1581 1 3 . 1 1 15 15 ILE H H 15 8.460 8.460 8.817 -0.357 18788 1582 1 3 . 1 1 16 16 LYS N N 16 114.100 114.100 117.116 -3.016 18788 1583 1 3 . 1 1 16 16 LYS HA H 16 4.460 4.460 4.668 -0.208 18788 1584 1 3 . 1 1 16 16 LYS C C 16 174.000 174.000 174.212 -0.212 18788 1585 1 3 . 1 1 16 16 LYS CA C 16 56.600 56.600 55.177 1.423 18788 1586 1 3 . 1 1 16 16 LYS CB C 16 35.300 35.300 37.030 -1.730 18788 1587 1 3 . 1 1 16 16 LYS H H 16 8.050 8.050 8.116 -0.066 18788 1588 1 3 . 1 1 17 17 ALA N N 17 129.100 129.100 124.497 4.603 18788 1589 1 3 . 1 1 17 17 ALA HA H 17 4.480 4.480 4.388 0.092 18788 1590 1 3 . 1 1 17 17 ALA C C 17 175.700 175.700 176.810 -1.110 18788 1591 1 3 . 1 1 17 17 ALA CA C 17 52.300 52.300 52.011 0.289 18788 1592 1 3 . 1 1 17 17 ALA CB C 17 18.200 18.200 19.574 -1.374 18788 1593 1 3 . 1 1 17 17 ALA H H 17 9.470 9.470 8.743 0.727 18788 1594 1 3 . 1 1 18 18 ILE N N 18 123.500 123.500 121.788 1.712 18788 1595 1 3 . 1 1 18 18 ILE HA H 18 4.110 4.110 4.253 -0.143 18788 1596 1 3 . 1 1 18 18 ILE C C 18 175.100 175.100 175.932 -0.832 18788 1597 1 3 . 1 1 18 18 ILE CA C 18 63.200 63.200 62.153 1.047 18788 1598 1 3 . 1 1 18 18 ILE CB C 18 37.800 37.800 38.718 -0.918 18788 1599 1 3 . 1 1 18 18 ILE H H 18 8.070 8.070 8.585 -0.515 18788 1600 1 3 . 1 1 19 19 ASP N N 19 120.500 120.500 114.894 5.606 18788 1601 1 3 . 1 1 19 19 ASP HA H 19 4.730 4.730 4.663 0.067 18788 1602 1 3 . 1 1 19 19 ASP C C 19 176.800 176.800 177.167 -0.367 18788 1603 1 3 . 1 1 19 19 ASP CA C 19 53.400 53.400 53.618 -0.218 18788 1604 1 3 . 1 1 19 19 ASP CB C 19 40.100 40.100 43.089 -2.989 18788 1605 1 3 . 1 1 19 19 ASP H H 19 8.290 8.290 7.977 0.313 18788 1606 1 3 . 1 1 20 20 GLY N N 20 103.500 103.500 113.308 -9.808 18788 1607 1 3 . 1 1 20 20 GLY C C 20 173.300 173.300 175.577 -2.277 18788 1608 1 3 . 1 1 20 20 GLY CA C 20 47.700 47.700 46.954 0.746 18788 1609 1 3 . 1 1 20 20 GLY H H 20 8.460 8.460 8.794 -0.334 18788 1610 1 3 . 1 1 21 21 ASP N N 21 111.200 111.200 124.146 -12.946 18788 1611 1 3 . 1 1 21 21 ASP HA H 21 4.850 4.850 4.528 0.322 18788 1612 1 3 . 1 1 21 21 ASP C C 21 175.300 175.300 176.602 -1.302 18788 1613 1 3 . 1 1 21 21 ASP CA C 21 52.100 52.100 55.396 -3.296 18788 1614 1 3 . 1 1 21 21 ASP CB C 21 40.600 40.600 41.123 -0.523 18788 1615 1 3 . 1 1 21 21 ASP H H 21 7.640 7.640 8.612 -0.972 18788 1616 1 3 . 1 1 22 22 THR N N 22 113.200 113.200 118.230 -5.030 18788 1617 1 3 . 1 1 22 22 THR HA H 22 5.700 5.700 5.493 0.207 18788 1618 1 3 . 1 1 22 22 THR C C 22 174.000 174.000 174.361 -0.361 18788 1619 1 3 . 1 1 22 22 THR CA C 22 61.000 61.000 63.476 -2.476 18788 1620 1 3 . 1 1 22 22 THR CB C 22 71.800 71.800 69.480 2.321 18788 1621 1 3 . 1 1 22 22 THR H H 22 7.610 7.610 7.970 -0.360 18788 1622 1 3 . 1 1 23 23 VAL N N 23 118.000 118.000 120.091 -2.091 18788 1623 1 3 . 1 1 23 23 VAL HA H 23 4.620 4.620 4.788 -0.168 18788 1624 1 3 . 1 1 23 23 VAL C C 23 172.100 172.100 173.324 -1.224 18788 1625 1 3 . 1 1 23 23 VAL CA C 23 60.100 60.100 59.383 0.716 18788 1626 1 3 . 1 1 23 23 VAL CB C 23 36.200 36.200 35.500 0.700 18788 1627 1 3 . 1 1 23 23 VAL H H 23 8.910 8.910 9.026 -0.116 18788 1628 1 3 . 1 1 24 24 LYS N N 24 127.000 127.000 123.159 3.841 18788 1629 1 3 . 1 1 24 24 LYS HA H 24 5.440 5.440 5.403 0.037 18788 1630 1 3 . 1 1 24 24 LYS C C 24 175.200 175.200 174.932 0.268 18788 1631 1 3 . 1 1 24 24 LYS CA C 24 55.600 55.600 55.031 0.569 18788 1632 1 3 . 1 1 24 24 LYS CB C 24 34.400 34.400 34.963 -0.563 18788 1633 1 3 . 1 1 24 24 LYS H H 24 9.470 9.470 8.999 0.471 18788 1634 1 3 . 1 1 25 25 LEU N N 25 127.000 127.000 122.734 4.266 18788 1635 1 3 . 1 1 25 25 LEU HA H 25 5.210 5.210 5.004 0.206 18788 1636 1 3 . 1 1 25 25 LEU C C 25 174.500 174.500 174.739 -0.239 18788 1637 1 3 . 1 1 25 25 LEU CA C 25 53.100 53.100 53.027 0.073 18788 1638 1 3 . 1 1 25 25 LEU CB C 25 45.500 45.500 45.244 0.256 18788 1639 1 3 . 1 1 25 25 LEU H H 25 9.380 9.380 9.317 0.063 18788 1640 1 3 . 1 1 26 26 MET N N 26 122.000 122.000 120.066 1.934 18788 1641 1 3 . 1 1 26 26 MET HA H 26 4.880 4.880 4.999 -0.119 18788 1642 1 3 . 1 1 26 26 MET C C 26 175.100 175.100 174.427 0.673 18788 1643 1 3 . 1 1 26 26 MET CA C 26 54.700 54.700 55.138 -0.438 18788 1644 1 3 . 1 1 26 26 MET CB C 26 31.400 31.400 33.653 -2.253 18788 1645 1 3 . 1 1 26 26 MET H H 26 9.530 9.530 9.004 0.526 18788 1646 1 3 . 1 1 27 27 TYR N N 27 129.600 129.600 129.271 0.329 18788 1647 1 3 . 1 1 27 27 TYR HA H 27 5.050 5.050 4.912 0.138 18788 1648 1 3 . 1 1 27 27 TYR C C 27 173.900 173.900 175.010 -1.110 18788 1649 1 3 . 1 1 27 27 TYR CA C 27 57.000 57.000 56.517 0.483 18788 1650 1 3 . 1 1 27 27 TYR CB C 27 41.700 41.700 40.220 1.480 18788 1651 1 3 . 1 1 27 27 TYR H H 27 9.040 9.040 9.475 -0.435 18788 1652 1 3 . 1 1 28 28 LYS N N 28 127.600 127.600 127.177 0.423 18788 1653 1 3 . 1 1 28 28 LYS HA H 28 3.590 3.590 3.799 -0.209 18788 1654 1 3 . 1 1 28 28 LYS C C 28 176.900 176.900 176.112 0.788 18788 1655 1 3 . 1 1 28 28 LYS CA C 28 57.100 57.100 57.004 0.096 18788 1656 1 3 . 1 1 28 28 LYS CB C 28 29.700 29.700 30.568 -0.868 18788 1657 1 3 . 1 1 28 28 LYS H H 28 9.310 9.310 9.071 0.239 18788 1658 1 3 . 1 1 29 29 GLY N N 29 102.400 102.400 103.323 -0.923 18788 1659 1 3 . 1 1 29 29 GLY C C 29 173.600 173.600 173.745 -0.145 18788 1660 1 3 . 1 1 29 29 GLY CA C 29 45.600 45.600 45.164 0.436 18788 1661 1 3 . 1 1 29 29 GLY H H 29 8.450 8.450 8.251 0.199 18788 1662 1 3 . 1 1 30 30 GLN N N 30 119.300 119.300 120.160 -0.860 18788 1663 1 3 . 1 1 30 30 GLN HA H 30 5.030 5.030 4.904 0.126 18788 1664 1 3 . 1 1 30 30 GLN C C 30 173.200 173.200 173.399 -0.199 18788 1665 1 3 . 1 1 30 30 GLN CA C 30 52.200 52.200 52.031 0.169 18788 1666 1 3 . 1 1 30 30 GLN CB C 30 31.200 31.200 28.853 2.347 18788 1667 1 3 . 1 1 30 30 GLN H H 30 7.820 7.820 7.886 -0.066 18788 1668 1 3 . 1 1 31 31 PRO HA H 31 4.880 4.880 4.796 0.084 18788 1669 1 3 . 1 1 31 31 PRO C C 31 177.400 177.400 176.039 1.361 18788 1670 1 3 . 1 1 31 31 PRO CA C 31 62.600 62.600 63.150 -0.550 18788 1671 1 3 . 1 1 31 31 PRO CB C 31 31.900 31.900 31.912 -0.012 18788 1672 1 3 . 1 1 32 32 MET N N 32 125.700 125.700 126.846 -1.146 18788 1673 1 3 . 1 1 32 32 MET HA H 32 4.670 4.670 4.902 -0.232 18788 1674 1 3 . 1 1 32 32 MET C C 32 174.600 174.600 174.229 0.371 18788 1675 1 3 . 1 1 32 32 MET CA C 32 55.800 55.800 54.788 1.012 18788 1676 1 3 . 1 1 32 32 MET CB C 32 37.200 37.200 37.242 -0.042 18788 1677 1 3 . 1 1 32 32 MET H H 32 9.570 9.570 9.413 0.157 18788 1678 1 3 . 1 1 33 33 THR N N 33 123.600 123.600 121.647 1.953 18788 1679 1 3 . 1 1 33 33 THR HA H 33 4.510 4.510 5.266 -0.756 18788 1680 1 3 . 1 1 33 33 THR C C 33 173.100 173.100 173.799 -0.699 18788 1681 1 3 . 1 1 33 33 THR CA C 33 64.300 64.300 62.175 2.125 18788 1682 1 3 . 1 1 33 33 THR CB C 33 68.800 68.800 69.878 -1.078 18788 1683 1 3 . 1 1 33 33 THR H H 33 8.990 8.990 8.530 0.461 18788 1684 1 3 . 1 1 34 34 PHE N N 34 126.100 126.100 125.184 0.916 18788 1685 1 3 . 1 1 34 34 PHE HA H 34 4.890 4.890 5.007 -0.117 18788 1686 1 3 . 1 1 34 34 PHE C C 34 173.400 173.400 173.885 -0.485 18788 1687 1 3 . 1 1 34 34 PHE CA C 34 57.300 57.300 57.006 0.294 18788 1688 1 3 . 1 1 34 34 PHE CB C 34 41.900 41.900 42.501 -0.601 18788 1689 1 3 . 1 1 34 34 PHE H H 34 9.610 9.610 9.606 0.004 18788 1690 1 3 . 1 1 35 35 ARG N N 35 124.200 124.200 122.674 1.526 18788 1691 1 3 . 1 1 35 35 ARG HA H 35 5.080 5.080 4.914 0.166 18788 1692 1 3 . 1 1 35 35 ARG C C 35 174.600 174.600 174.214 0.386 18788 1693 1 3 . 1 1 35 35 ARG CA C 35 52.100 52.100 55.237 -3.138 18788 1694 1 3 . 1 1 35 35 ARG CB C 35 33.600 33.600 34.790 -1.190 18788 1695 1 3 . 1 1 35 35 ARG H H 35 9.640 9.640 8.299 1.341 18788 1696 1 3 . 1 1 38 38 LEU HA H 38 4.330 4.330 4.326 0.004 18788 1697 1 3 . 1 1 38 38 LEU C C 38 175.200 175.200 176.208 -1.008 18788 1698 1 3 . 1 1 38 38 LEU CA C 38 56.600 56.600 56.255 0.345 18788 1699 1 3 . 1 1 38 38 LEU CB C 38 40.100 40.100 41.886 -1.786 18788 1700 1 3 . 1 1 39 39 VAL N N 39 104.500 104.500 110.795 -6.295 18788 1701 1 3 . 1 1 39 39 VAL HA H 39 5.580 5.580 5.010 0.570 18788 1702 1 3 . 1 1 39 39 VAL C C 39 175.600 175.600 174.002 1.598 18788 1703 1 3 . 1 1 39 39 VAL CA C 39 57.800 57.800 58.901 -1.101 18788 1704 1 3 . 1 1 39 39 VAL CB C 39 36.400 36.400 36.547 -0.147 18788 1705 1 3 . 1 1 39 39 VAL H H 39 6.920 6.920 7.124 -0.204 18788 1706 1 3 . 1 1 40 40 ASP N N 40 121.500 121.500 121.002 0.498 18788 1707 1 3 . 1 1 40 40 ASP HA H 40 5.260 5.260 5.094 0.166 18788 1708 1 3 . 1 1 40 40 ASP C C 40 174.600 174.600 175.749 -1.149 18788 1709 1 3 . 1 1 40 40 ASP CA C 40 54.100 54.100 52.813 1.287 18788 1710 1 3 . 1 1 40 40 ASP CB C 40 44.100 44.100 44.050 0.050 18788 1711 1 3 . 1 1 40 40 ASP H H 40 8.880 8.880 8.835 0.045 18788 1712 1 3 . 1 1 41 41 THR N N 41 118.700 118.700 116.912 1.788 18788 1713 1 3 . 1 1 41 41 THR HA H 41 5.020 5.020 4.994 0.026 18788 1714 1 3 . 1 1 41 41 THR CA C 41 58.300 58.300 58.732 -0.432 18788 1715 1 3 . 1 1 41 41 THR CB C 41 68.900 68.900 68.953 -0.053 18788 1716 1 3 . 1 1 41 41 THR H H 41 8.520 8.520 8.130 0.390 18788 1717 1 3 . 1 1 42 42 PRO HA H 42 4.440 4.440 4.684 -0.244 18788 1718 1 3 . 1 1 42 42 PRO CA C 42 62.200 62.200 62.236 -0.036 18788 1719 1 3 . 1 1 42 42 PRO CB C 42 32.300 32.300 32.431 -0.131 18788 1720 1 3 . 1 1 50 50 GLY C C 50 179.800 179.800 173.346 6.454 18788 1721 1 3 . 1 1 51 51 VAL N N 51 119.200 119.200 117.080 2.120 18788 1722 1 3 . 1 1 51 51 VAL HA H 51 4.160 4.160 4.198 -0.038 18788 1723 1 3 . 1 1 51 51 VAL C C 51 178.600 178.600 175.582 3.018 18788 1724 1 3 . 1 1 51 51 VAL CA C 51 63.500 63.500 61.893 1.607 18788 1725 1 3 . 1 1 51 51 VAL H H 51 7.820 7.820 7.658 0.162 18788 1726 1 3 . 1 1 54 54 TYR C C 54 176.300 176.300 173.784 2.516 18788 1727 1 3 . 1 1 55 55 GLY N N 55 108.900 108.900 106.532 2.368 18788 1728 1 3 . 1 1 55 55 GLY C C 55 174.300 174.300 173.114 1.186 18788 1729 1 3 . 1 1 55 55 GLY CA C 55 48.400 48.400 44.027 4.373 18788 1730 1 3 . 1 1 55 55 GLY H H 55 8.810 8.810 8.498 0.312 18788 1731 1 3 . 1 1 57 57 GLU HA H 57 4.010 4.010 4.228 -0.218 18788 1732 1 3 . 1 1 57 57 GLU C C 57 179.500 179.500 177.256 2.244 18788 1733 1 3 . 1 1 57 57 GLU CA C 57 61.700 61.700 57.872 3.828 18788 1734 1 3 . 1 1 58 58 ALA N N 58 125.000 125.000 122.487 2.513 18788 1735 1 3 . 1 1 58 58 ALA HA H 58 4.170 4.170 3.931 0.239 18788 1736 1 3 . 1 1 58 58 ALA C C 58 178.700 178.700 179.324 -0.624 18788 1737 1 3 . 1 1 58 58 ALA CA C 58 55.800 55.800 55.997 -0.197 18788 1738 1 3 . 1 1 58 58 ALA CB C 58 18.200 18.200 18.290 -0.090 18788 1739 1 3 . 1 1 58 58 ALA H H 58 8.940 8.940 7.568 1.372 18788 1740 1 3 . 1 1 59 59 SER N N 59 111.900 111.900 114.590 -2.690 18788 1741 1 3 . 1 1 59 59 SER HA H 59 3.740 3.740 4.189 -0.449 18788 1742 1 3 . 1 1 59 59 SER C C 59 177.100 177.100 176.596 0.504 18788 1743 1 3 . 1 1 59 59 SER CA C 59 62.000 62.000 61.341 0.659 18788 1744 1 3 . 1 1 59 59 SER CB C 59 62.900 62.900 62.835 0.065 18788 1745 1 3 . 1 1 59 59 SER H H 59 8.340 8.340 8.513 -0.173 18788 1746 1 3 . 1 1 60 60 ALA N N 60 122.900 122.900 124.450 -1.550 18788 1747 1 3 . 1 1 60 60 ALA HA H 60 4.070 4.070 4.253 -0.183 18788 1748 1 3 . 1 1 60 60 ALA C C 60 179.100 179.100 179.310 -0.210 18788 1749 1 3 . 1 1 60 60 ALA CA C 60 55.100 55.100 54.552 0.548 18788 1750 1 3 . 1 1 60 60 ALA CB C 60 18.200 18.200 18.273 -0.072 18788 1751 1 3 . 1 1 60 60 ALA H H 60 8.440 8.440 7.605 0.835 18788 1752 1 3 . 1 1 61 61 PHE N N 61 121.700 121.700 119.650 2.050 18788 1753 1 3 . 1 1 61 61 PHE HA H 61 4.050 4.050 4.148 -0.098 18788 1754 1 3 . 1 1 61 61 PHE C C 61 178.100 178.100 177.396 0.704 18788 1755 1 3 . 1 1 61 61 PHE CA C 61 61.800 61.800 61.940 -0.140 18788 1756 1 3 . 1 1 61 61 PHE CB C 61 39.800 39.800 39.320 0.480 18788 1757 1 3 . 1 1 61 61 PHE H H 61 8.190 8.190 8.726 -0.536 18788 1758 1 3 . 1 1 62 62 THR N N 62 120.200 120.200 116.155 4.045 18788 1759 1 3 . 1 1 62 62 THR HA H 62 3.560 3.560 3.864 -0.304 18788 1760 1 3 . 1 1 62 62 THR C C 62 175.300 175.300 176.319 -1.019 18788 1761 1 3 . 1 1 62 62 THR CA C 62 67.600 67.600 67.333 0.267 18788 1762 1 3 . 1 1 62 62 THR CB C 62 68.400 68.400 68.711 -0.311 18788 1763 1 3 . 1 1 62 62 THR H H 62 8.540 8.540 8.511 0.029 18788 1764 1 3 . 1 1 63 63 LYS N N 63 120.000 120.000 121.306 -1.306 18788 1765 1 3 . 1 1 63 63 LYS HA H 63 3.560 3.560 3.925 -0.365 18788 1766 1 3 . 1 1 63 63 LYS C C 63 176.800 176.800 178.366 -1.566 18788 1767 1 3 . 1 1 63 63 LYS CA C 63 60.400 60.400 59.712 0.688 18788 1768 1 3 . 1 1 63 63 LYS CB C 63 33.300 33.300 32.429 0.871 18788 1769 1 3 . 1 1 63 63 LYS H H 63 7.910 7.910 7.872 0.038 18788 1770 1 3 . 1 1 64 64 LYS N N 64 117.200 117.200 119.361 -2.161 18788 1771 1 3 . 1 1 64 64 LYS HA H 64 3.940 3.940 3.962 -0.022 18788 1772 1 3 . 1 1 64 64 LYS C C 64 178.700 178.700 179.163 -0.463 18788 1773 1 3 . 1 1 64 64 LYS CA C 64 59.200 59.200 59.564 -0.364 18788 1774 1 3 . 1 1 64 64 LYS CB C 64 31.900 31.900 32.378 -0.478 18788 1775 1 3 . 1 1 64 64 LYS H H 64 8.000 8.000 8.024 -0.024 18788 1776 1 3 . 1 1 65 65 MET N N 65 116.200 116.200 115.615 0.585 18788 1777 1 3 . 1 1 65 65 MET HA H 65 3.890 3.890 4.267 -0.377 18788 1778 1 3 . 1 1 65 65 MET C C 65 179.200 179.200 178.195 1.005 18788 1779 1 3 . 1 1 65 65 MET CA C 65 59.800 59.800 58.476 1.324 18788 1780 1 3 . 1 1 65 65 MET CB C 65 32.200 32.200 32.998 -0.798 18788 1781 1 3 . 1 1 65 65 MET H H 65 7.680 7.680 7.779 -0.099 18788 1782 1 3 . 1 1 66 66 VAL N N 66 107.700 107.700 114.440 -6.740 18788 1783 1 3 . 1 1 66 66 VAL HA H 66 4.150 4.150 3.910 0.240 18788 1784 1 3 . 1 1 66 66 VAL C C 66 177.500 177.500 178.126 -0.626 18788 1785 1 3 . 1 1 66 66 VAL CA C 66 64.300 64.300 64.790 -0.490 18788 1786 1 3 . 1 1 66 66 VAL CB C 66 31.100 31.100 32.025 -0.925 18788 1787 1 3 . 1 1 66 66 VAL H H 66 8.220 8.220 8.175 0.045 18788 1788 1 3 . 1 1 67 67 GLU N N 67 121.000 121.000 118.411 2.589 18788 1789 1 3 . 1 1 67 67 GLU HA H 67 3.960 3.960 4.184 -0.224 18788 1790 1 3 . 1 1 67 67 GLU C C 67 178.000 178.000 177.621 0.379 18788 1791 1 3 . 1 1 67 67 GLU CA C 67 59.200 59.200 58.719 0.480 18788 1792 1 3 . 1 1 67 67 GLU CB C 67 29.100 29.100 29.811 -0.711 18788 1793 1 3 . 1 1 67 67 GLU H H 67 8.750 8.750 8.295 0.455 18788 1794 1 3 . 1 1 68 68 ASN N N 68 113.400 113.400 115.478 -2.078 18788 1795 1 3 . 1 1 68 68 ASN HA H 68 4.660 4.660 4.731 -0.071 18788 1796 1 3 . 1 1 68 68 ASN C C 68 174.600 174.600 174.360 0.240 18788 1797 1 3 . 1 1 68 68 ASN CA C 68 53.400 53.400 53.565 -0.165 18788 1798 1 3 . 1 1 68 68 ASN CB C 68 38.900 38.900 39.111 -0.211 18788 1799 1 3 . 1 1 68 68 ASN H H 68 7.400 7.400 7.715 -0.315 18788 1800 1 3 . 1 1 69 69 ALA N N 69 121.100 121.100 122.065 -0.965 18788 1801 1 3 . 1 1 69 69 ALA HA H 69 4.490 4.490 4.381 0.109 18788 1802 1 3 . 1 1 69 69 ALA C C 69 177.800 177.800 177.151 0.649 18788 1803 1 3 . 1 1 69 69 ALA CA C 69 51.400 51.400 51.736 -0.336 18788 1804 1 3 . 1 1 69 69 ALA CB C 69 19.200 19.200 19.964 -0.764 18788 1805 1 3 . 1 1 69 69 ALA H H 69 6.680 6.680 7.038 -0.358 18788 1806 1 3 . 1 1 70 70 LYS N N 70 125.700 125.700 121.584 4.116 18788 1807 1 3 . 1 1 70 70 LYS HA H 70 4.370 4.370 4.332 0.038 18788 1808 1 3 . 1 1 70 70 LYS C C 70 177.800 177.800 177.459 0.341 18788 1809 1 3 . 1 1 70 70 LYS CA C 70 57.800 57.800 56.880 0.920 18788 1810 1 3 . 1 1 70 70 LYS CB C 70 32.000 32.000 33.212 -1.212 18788 1811 1 3 . 1 1 70 70 LYS H H 70 10.130 10.130 9.028 1.102 18788 1812 1 3 . 1 1 71 71 LYS N N 71 121.300 121.300 120.301 0.999 18788 1813 1 3 . 1 1 71 71 LYS HA H 71 4.660 4.660 4.540 0.120 18788 1814 1 3 . 1 1 71 71 LYS C C 71 174.600 174.600 174.889 -0.289 18788 1815 1 3 . 1 1 71 71 LYS CA C 71 55.500 55.500 55.010 0.490 18788 1816 1 3 . 1 1 71 71 LYS CB C 71 35.400 35.400 32.151 3.249 18788 1817 1 3 . 1 1 71 71 LYS H H 71 8.920 8.920 7.555 1.365 18788 1818 1 3 . 1 1 72 72 ILE N N 72 128.900 128.900 127.904 0.996 18788 1819 1 3 . 1 1 72 72 ILE HA H 72 5.240 5.240 4.914 0.326 18788 1820 1 3 . 1 1 72 72 ILE C C 72 175.300 175.300 174.860 0.440 18788 1821 1 3 . 1 1 72 72 ILE CA C 72 58.700 58.700 60.836 -2.136 18788 1822 1 3 . 1 1 72 72 ILE CB C 72 38.100 38.100 38.571 -0.471 18788 1823 1 3 . 1 1 72 72 ILE H H 72 8.960 8.960 8.418 0.542 18788 1824 1 3 . 1 1 73 73 GLU N N 73 123.100 123.100 127.685 -4.585 18788 1825 1 3 . 1 1 73 73 GLU HA H 73 5.240 5.240 5.228 0.012 18788 1826 1 3 . 1 1 73 73 GLU C C 73 174.900 174.900 175.597 -0.697 18788 1827 1 3 . 1 1 73 73 GLU CA C 73 53.600 53.600 54.361 -0.761 18788 1828 1 3 . 1 1 73 73 GLU CB C 73 36.200 36.200 33.329 2.871 18788 1829 1 3 . 1 1 73 73 GLU H H 73 8.810 8.810 9.043 -0.233 18788 1830 1 3 . 1 1 74 74 VAL N N 74 117.300 117.300 117.990 -0.690 18788 1831 1 3 . 1 1 74 74 VAL HA H 74 4.550 4.550 4.711 -0.161 18788 1832 1 3 . 1 1 74 74 VAL C C 74 174.000 174.000 174.137 -0.137 18788 1833 1 3 . 1 1 74 74 VAL CA C 74 59.500 59.500 59.536 -0.036 18788 1834 1 3 . 1 1 74 74 VAL CB C 74 34.200 34.200 33.052 1.148 18788 1835 1 3 . 1 1 74 74 VAL H H 74 9.510 9.510 9.137 0.373 18788 1836 1 3 . 1 1 75 75 GLU N N 75 126.900 126.900 127.773 -0.873 18788 1837 1 3 . 1 1 75 75 GLU HA H 75 5.160 5.160 5.121 0.039 18788 1838 1 3 . 1 1 75 75 GLU C C 75 175.600 175.600 175.540 0.060 18788 1839 1 3 . 1 1 75 75 GLU CA C 75 54.500 54.500 53.829 0.671 18788 1840 1 3 . 1 1 75 75 GLU CB C 75 35.900 35.900 32.391 3.509 18788 1841 1 3 . 1 1 75 75 GLU H H 75 8.860 8.860 8.989 -0.129 18788 1842 1 3 . 1 1 76 76 PHE N N 76 126.400 126.400 127.279 -0.879 18788 1843 1 3 . 1 1 76 76 PHE HA H 76 4.740 4.740 4.948 -0.208 18788 1844 1 3 . 1 1 76 76 PHE C C 76 175.600 175.600 175.891 -0.291 18788 1845 1 3 . 1 1 76 76 PHE CA C 76 59.500 59.500 58.663 0.836 18788 1846 1 3 . 1 1 76 76 PHE CB C 76 39.700 39.700 39.774 -0.074 18788 1847 1 3 . 1 1 76 76 PHE H H 76 8.770 8.770 8.432 0.338 18788 1848 1 3 . 1 1 77 77 ASP N N 77 123.000 123.000 124.365 -1.365 18788 1849 1 3 . 1 1 77 77 ASP HA H 77 5.310 5.310 4.964 0.346 18788 1850 1 3 . 1 1 77 77 ASP C C 77 177.600 177.600 176.994 0.606 18788 1851 1 3 . 1 1 77 77 ASP CA C 77 51.800 51.800 52.869 -1.069 18788 1852 1 3 . 1 1 77 77 ASP CB C 77 42.900 42.900 43.788 -0.888 18788 1853 1 3 . 1 1 77 77 ASP H H 77 9.310 9.310 8.516 0.794 18788 1854 1 3 . 1 1 78 78 LYS N N 78 119.100 119.100 119.581 -0.481 18788 1855 1 3 . 1 1 78 78 LYS HA H 78 4.240 4.240 4.223 0.017 18788 1856 1 3 . 1 1 78 78 LYS C C 78 177.100 177.100 176.715 0.385 18788 1857 1 3 . 1 1 78 78 LYS CA C 78 57.700 57.700 57.854 -0.154 18788 1858 1 3 . 1 1 78 78 LYS CB C 78 33.400 33.400 32.218 1.181 18788 1859 1 3 . 1 1 78 78 LYS H H 78 10.360 10.360 8.693 1.667 18788 1860 1 3 . 1 1 79 79 GLY N N 79 111.100 111.100 108.292 2.808 18788 1861 1 3 . 1 1 79 79 GLY C C 79 173.600 173.600 174.349 -0.749 18788 1862 1 3 . 1 1 79 79 GLY CA C 79 44.500 44.500 44.213 0.287 18788 1863 1 3 . 1 1 79 79 GLY H H 79 8.680 8.680 7.735 0.945 18788 1864 1 3 . 1 1 80 80 GLN N N 80 124.800 124.800 118.948 5.852 18788 1865 1 3 . 1 1 80 80 GLN HA H 80 4.140 4.140 4.384 -0.244 18788 1866 1 3 . 1 1 80 80 GLN C C 80 176.900 176.900 175.746 1.154 18788 1867 1 3 . 1 1 80 80 GLN CA C 80 57.200 57.200 56.319 0.881 18788 1868 1 3 . 1 1 80 80 GLN CB C 80 29.200 29.200 30.248 -1.048 18788 1869 1 3 . 1 1 80 80 GLN H H 80 8.800 8.800 8.633 0.167 18788 1870 1 3 . 1 1 81 81 ARG N N 81 120.700 120.700 118.691 2.009 18788 1871 1 3 . 1 1 81 81 ARG HA H 81 4.620 4.620 4.471 0.149 18788 1872 1 3 . 1 1 81 81 ARG C C 81 176.200 176.200 175.344 0.856 18788 1873 1 3 . 1 1 81 81 ARG CA C 81 57.500 57.500 57.325 0.175 18788 1874 1 3 . 1 1 81 81 ARG CB C 81 32.000 32.000 31.303 0.697 18788 1875 1 3 . 1 1 81 81 ARG H H 81 8.640 8.640 8.557 0.083 18788 1876 1 3 . 1 1 82 82 THR N N 82 107.900 107.900 108.756 -0.856 18788 1877 1 3 . 1 1 82 82 THR HA H 82 5.540 5.540 5.076 0.464 18788 1878 1 3 . 1 1 82 82 THR C C 82 174.600 174.600 173.683 0.917 18788 1879 1 3 . 1 1 82 82 THR CA C 82 58.400 58.400 59.145 -0.745 18788 1880 1 3 . 1 1 82 82 THR CB C 82 72.500 72.500 72.368 0.132 18788 1881 1 3 . 1 1 82 82 THR H H 82 7.300 7.300 7.453 -0.153 18788 1882 1 3 . 1 1 83 83 ASP N N 83 121.300 121.300 121.719 -0.419 18788 1883 1 3 . 1 1 83 83 ASP HA H 83 4.660 4.660 4.631 0.029 18788 1884 1 3 . 1 1 83 83 ASP C C 83 179.000 179.000 176.566 2.434 18788 1885 1 3 . 1 1 83 83 ASP CA C 83 51.700 51.700 52.934 -1.234 18788 1886 1 3 . 1 1 83 83 ASP CB C 83 42.100 42.100 42.446 -0.346 18788 1887 1 3 . 1 1 83 83 ASP H H 83 8.590 8.590 8.881 -0.291 18788 1888 1 3 . 1 1 85 85 TYR N N 85 119.300 119.300 116.796 2.504 18788 1889 1 3 . 1 1 85 85 TYR HA H 85 4.600 4.600 4.382 0.218 18788 1890 1 3 . 1 1 85 85 TYR C C 85 176.100 176.100 176.538 -0.438 18788 1891 1 3 . 1 1 85 85 TYR CA C 85 57.100 57.100 58.946 -1.846 18788 1892 1 3 . 1 1 85 85 TYR CB C 85 37.900 37.900 39.009 -1.109 18788 1893 1 3 . 1 1 85 85 TYR H H 85 7.650 7.650 8.408 -0.758 18788 1894 1 3 . 1 1 86 86 GLY N N 86 108.500 108.500 105.812 2.688 18788 1895 1 3 . 1 1 86 86 GLY C C 86 174.400 174.400 174.024 0.376 18788 1896 1 3 . 1 1 86 86 GLY CA C 86 45.400 45.400 44.581 0.819 18788 1897 1 3 . 1 1 86 86 GLY H H 86 8.120 8.120 8.073 0.047 18788 1898 1 3 . 1 1 87 87 ARG N N 87 121.600 121.600 121.130 0.470 18788 1899 1 3 . 1 1 87 87 ARG HA H 87 4.430 4.430 4.693 -0.263 18788 1900 1 3 . 1 1 87 87 ARG C C 87 177.000 177.000 176.458 0.542 18788 1901 1 3 . 1 1 87 87 ARG CA C 87 55.300 55.300 54.396 0.904 18788 1902 1 3 . 1 1 87 87 ARG CB C 87 30.000 30.000 30.804 -0.804 18788 1903 1 3 . 1 1 87 87 ARG H H 87 8.600 8.600 8.875 -0.275 18788 1904 1 3 . 1 1 88 88 GLY N N 88 108.000 108.000 108.761 -0.761 18788 1905 1 3 . 1 1 88 88 GLY C C 88 171.800 171.800 173.082 -1.282 18788 1906 1 3 . 1 1 88 88 GLY CA C 88 44.800 44.800 44.311 0.489 18788 1907 1 3 . 1 1 88 88 GLY H H 88 8.780 8.780 8.325 0.455 18788 1908 1 3 . 1 1 89 89 LEU N N 89 125.100 125.100 126.591 -1.491 18788 1909 1 3 . 1 1 89 89 LEU HA H 89 5.190 5.190 4.519 0.671 18788 1910 1 3 . 1 1 89 89 LEU C C 89 174.800 174.800 175.363 -0.563 18788 1911 1 3 . 1 1 89 89 LEU CA C 89 52.800 52.800 53.954 -1.154 18788 1912 1 3 . 1 1 89 89 LEU CB C 89 42.900 42.900 41.138 1.762 18788 1913 1 3 . 1 1 89 89 LEU H H 89 8.220 8.220 8.453 -0.233 18788 1914 1 3 . 1 1 90 90 ALA N N 90 119.900 119.900 124.389 -4.489 18788 1915 1 3 . 1 1 90 90 ALA HA H 90 4.790 4.790 4.494 0.296 18788 1916 1 3 . 1 1 90 90 ALA C C 90 177.000 177.000 175.670 1.330 18788 1917 1 3 . 1 1 90 90 ALA CA C 90 50.800 50.800 50.156 0.644 18788 1918 1 3 . 1 1 90 90 ALA CB C 90 23.700 23.700 21.932 1.768 18788 1919 1 3 . 1 1 90 90 ALA H H 90 7.400 7.400 7.592 -0.192 18788 1920 1 3 . 1 1 91 91 TYR N N 91 122.400 122.400 120.183 2.217 18788 1921 1 3 . 1 1 91 91 TYR HA H 91 4.650 4.650 4.361 0.289 18788 1922 1 3 . 1 1 91 91 TYR C C 91 174.600 174.600 175.190 -0.590 18788 1923 1 3 . 1 1 91 91 TYR CA C 91 57.200 57.200 57.552 -0.352 18788 1924 1 3 . 1 1 91 91 TYR CB C 91 37.600 37.600 38.803 -1.203 18788 1925 1 3 . 1 1 91 91 TYR H H 91 9.000 9.000 8.672 0.328 18788 1926 1 3 . 1 1 92 92 ILE N N 92 122.200 122.200 124.568 -2.368 18788 1927 1 3 . 1 1 92 92 ILE HA H 92 4.950 4.950 4.624 0.326 18788 1928 1 3 . 1 1 92 92 ILE C C 92 173.700 173.700 175.290 -1.590 18788 1929 1 3 . 1 1 92 92 ILE CA C 92 58.700 58.700 60.506 -1.806 18788 1930 1 3 . 1 1 92 92 ILE CB C 92 38.900 38.900 39.295 -0.395 18788 1931 1 3 . 1 1 92 92 ILE H H 92 7.830 7.830 8.645 -0.815 18788 1932 1 3 . 1 1 93 93 TYR N N 93 126.200 126.200 127.179 -0.979 18788 1933 1 3 . 1 1 93 93 TYR HA H 93 5.080 5.080 5.025 0.055 18788 1934 1 3 . 1 1 93 93 TYR C C 93 173.900 173.900 174.614 -0.714 18788 1935 1 3 . 1 1 93 93 TYR CA C 93 56.500 56.500 56.087 0.413 18788 1936 1 3 . 1 1 93 93 TYR CB C 93 41.500 41.500 40.384 1.116 18788 1937 1 3 . 1 1 93 93 TYR H H 93 9.540 9.540 9.412 0.128 18788 1938 1 3 . 1 1 94 94 ALA N N 94 125.700 125.700 126.604 -0.904 18788 1939 1 3 . 1 1 94 94 ALA HA H 94 4.960 4.960 4.559 0.401 18788 1940 1 3 . 1 1 94 94 ALA C C 94 175.700 175.700 177.076 -1.376 18788 1941 1 3 . 1 1 94 94 ALA CA C 94 49.700 49.700 50.650 -0.950 18788 1942 1 3 . 1 1 94 94 ALA CB C 94 20.900 20.900 19.115 1.785 18788 1943 1 3 . 1 1 94 94 ALA H H 94 9.230 9.230 9.244 -0.014 18788 1944 1 3 . 1 1 95 95 ASP N N 95 127.600 127.600 124.729 2.871 18788 1945 1 3 . 1 1 95 95 ASP HA H 95 4.430 4.430 4.322 0.108 18788 1946 1 3 . 1 1 95 95 ASP C C 95 176.100 176.100 176.257 -0.157 18788 1947 1 3 . 1 1 95 95 ASP CA C 95 56.500 56.500 55.467 1.033 18788 1948 1 3 . 1 1 95 95 ASP CB C 95 39.500 39.500 40.357 -0.857 18788 1949 1 3 . 1 1 95 95 ASP H H 95 9.720 9.720 9.181 0.539 18788 1950 1 3 . 1 1 96 96 GLY N N 96 103.000 103.000 102.370 0.630 18788 1951 1 3 . 1 1 96 96 GLY C C 96 173.800 173.800 174.116 -0.316 18788 1952 1 3 . 1 1 96 96 GLY CA C 96 45.400 45.400 45.180 0.220 18788 1953 1 3 . 1 1 96 96 GLY H H 96 9.420 9.420 8.423 0.997 18788 1954 1 3 . 1 1 97 97 LYS N N 97 121.400 121.400 121.651 -0.251 18788 1955 1 3 . 1 1 97 97 LYS HA H 97 4.670 4.670 4.663 0.007 18788 1956 1 3 . 1 1 97 97 LYS C C 97 176.000 176.000 175.914 0.086 18788 1957 1 3 . 1 1 97 97 LYS CA C 97 54.200 54.200 54.492 -0.292 18788 1958 1 3 . 1 1 97 97 LYS CB C 97 33.100 33.100 34.083 -0.983 18788 1959 1 3 . 1 1 97 97 LYS H H 97 7.870 7.870 7.824 0.046 18788 1960 1 3 . 1 1 98 98 MET N N 98 127.000 127.000 125.145 1.855 18788 1961 1 3 . 1 1 98 98 MET HA H 98 3.780 3.780 4.071 -0.291 18788 1962 1 3 . 1 1 98 98 MET C C 98 177.700 177.700 177.728 -0.028 18788 1963 1 3 . 1 1 98 98 MET CA C 98 56.100 56.100 56.669 -0.569 18788 1964 1 3 . 1 1 98 98 MET CB C 98 34.700 34.700 31.965 2.735 18788 1965 1 3 . 1 1 98 98 MET H H 98 9.280 9.280 9.033 0.247 18788 1966 1 3 . 1 1 99 99 VAL N N 99 103.700 103.700 126.175 -22.475 18788 1967 1 3 . 1 1 99 99 VAL HA H 99 3.730 3.730 3.643 0.087 18788 1968 1 3 . 1 1 99 99 VAL C C 99 177.200 177.200 177.691 -0.491 18788 1969 1 3 . 1 1 99 99 VAL CA C 99 66.100 66.100 66.227 -0.127 18788 1970 1 3 . 1 1 99 99 VAL CB C 99 32.400 32.400 31.719 0.681 18788 1971 1 3 . 1 1 99 99 VAL H H 99 10.190 10.190 8.891 1.299 18788 1972 1 3 . 1 1 100 100 ASN N N 100 108.600 108.600 117.761 -9.161 18788 1973 1 3 . 1 1 100 100 ASN HA H 100 4.080 4.080 4.259 -0.179 18788 1974 1 3 . 1 1 100 100 ASN C C 100 174.200 174.200 177.200 -3.000 18788 1975 1 3 . 1 1 100 100 ASN CA C 100 57.200 57.200 56.840 0.360 18788 1976 1 3 . 1 1 100 100 ASN CB C 100 34.700 34.700 37.367 -2.667 18788 1977 1 3 . 1 1 100 100 ASN H H 100 9.670 9.670 7.707 1.963 18788 1978 1 3 . 1 1 101 101 GLU N N 101 112.800 112.800 120.489 -7.689 18788 1979 1 3 . 1 1 101 101 GLU HA H 101 3.660 3.660 3.971 -0.311 18788 1980 1 3 . 1 1 101 101 GLU C C 101 176.100 176.100 178.042 -1.942 18788 1981 1 3 . 1 1 101 101 GLU CA C 101 59.800 59.800 59.485 0.315 18788 1982 1 3 . 1 1 101 101 GLU CB C 101 30.200 30.200 29.273 0.927 18788 1983 1 3 . 1 1 101 101 GLU H H 101 6.150 6.150 8.157 -2.007 18788 1984 1 3 . 1 1 102 102 ALA N N 102 122.600 122.600 122.591 0.009 18788 1985 1 3 . 1 1 102 102 ALA HA H 102 4.070 4.070 4.109 -0.039 18788 1986 1 3 . 1 1 102 102 ALA C C 102 179.800 179.800 180.180 -0.380 18788 1987 1 3 . 1 1 102 102 ALA CA C 102 55.300 55.300 55.149 0.151 18788 1988 1 3 . 1 1 102 102 ALA CB C 102 17.900 17.900 18.358 -0.458 18788 1989 1 3 . 1 1 102 102 ALA H H 102 7.810 7.810 7.957 -0.147 18788 1990 1 3 . 1 1 103 103 LEU N N 103 116.100 116.100 118.578 -2.478 18788 1991 1 3 . 1 1 103 103 LEU HA H 103 3.280 3.280 3.448 -0.168 18788 1992 1 3 . 1 1 103 103 LEU C C 103 178.900 178.900 178.991 -0.091 18788 1993 1 3 . 1 1 103 103 LEU CA C 103 57.800 57.800 57.685 0.115 18788 1994 1 3 . 1 1 103 103 LEU CB C 103 45.500 45.500 41.508 3.993 18788 1995 1 3 . 1 1 103 103 LEU H H 103 8.070 8.070 8.211 -0.141 18788 1996 1 3 . 1 1 104 104 VAL N N 104 116.600 116.600 119.589 -2.989 18788 1997 1 3 . 1 1 104 104 VAL HA H 104 3.870 3.870 4.031 -0.161 18788 1998 1 3 . 1 1 104 104 VAL C C 104 180.300 180.300 179.329 0.971 18788 1999 1 3 . 1 1 104 104 VAL CA C 104 65.000 65.000 66.149 -1.149 18788 2000 1 3 . 1 1 104 104 VAL CB C 104 32.000 32.000 31.404 0.596 18788 2001 1 3 . 1 1 104 104 VAL H H 104 6.890 6.890 7.859 -0.969 18788 2002 1 3 . 1 1 105 105 ARG N N 105 122.400 122.400 120.110 2.290 18788 2003 1 3 . 1 1 105 105 ARG HA H 105 4.130 4.130 4.319 -0.189 18788 2004 1 3 . 1 1 105 105 ARG C C 105 176.000 176.000 177.730 -1.730 18788 2005 1 3 . 1 1 105 105 ARG CA C 105 57.000 57.000 58.620 -1.620 18788 2006 1 3 . 1 1 105 105 ARG CB C 105 28.300 28.300 29.915 -1.615 18788 2007 1 3 . 1 1 105 105 ARG H H 105 9.140 9.140 8.532 0.608 18788 2008 1 3 . 1 1 106 106 GLN N N 106 112.000 112.000 115.596 -3.596 18788 2009 1 3 . 1 1 106 106 GLN HA H 106 4.320 4.320 4.299 0.021 18788 2010 1 3 . 1 1 106 106 GLN C C 106 175.600 175.600 175.654 -0.054 18788 2011 1 3 . 1 1 106 106 GLN CA C 106 53.800 53.800 54.982 -1.182 18788 2012 1 3 . 1 1 106 106 GLN CB C 106 28.300 28.300 28.984 -0.684 18788 2013 1 3 . 1 1 106 106 GLN H H 106 7.120 7.120 7.447 -0.327 18788 2014 1 3 . 1 1 107 107 GLY N N 107 107.100 107.100 106.548 0.552 18788 2015 1 3 . 1 1 107 107 GLY C C 107 172.400 172.400 174.690 -2.290 18788 2016 1 3 . 1 1 107 107 GLY CA C 107 46.300 46.300 46.138 0.162 18788 2017 1 3 . 1 1 107 107 GLY H H 107 8.080 8.080 7.874 0.206 18788 2018 1 3 . 1 1 108 108 LEU N N 108 115.100 115.100 118.264 -3.164 18788 2019 1 3 . 1 1 108 108 LEU HA H 108 4.300 4.300 4.495 -0.195 18788 2020 1 3 . 1 1 108 108 LEU C C 108 172.500 172.500 175.389 -2.889 18788 2021 1 3 . 1 1 108 108 LEU CA C 108 53.300 53.300 54.254 -0.954 18788 2022 1 3 . 1 1 108 108 LEU CB C 108 43.500 43.500 42.286 1.214 18788 2023 1 3 . 1 1 108 108 LEU H H 108 7.810 7.810 8.332 -0.522 18788 2024 1 3 . 1 1 109 109 ALA N N 109 112.900 112.900 117.522 -4.622 18788 2025 1 3 . 1 1 109 109 ALA HA H 109 4.500 4.500 4.650 -0.150 18788 2026 1 3 . 1 1 109 109 ALA C C 109 174.800 174.800 175.412 -0.612 18788 2027 1 3 . 1 1 109 109 ALA CA C 109 49.900 49.900 50.580 -0.680 18788 2028 1 3 . 1 1 109 109 ALA CB C 109 24.900 24.900 21.808 3.092 18788 2029 1 3 . 1 1 109 109 ALA H H 109 6.950 6.950 7.188 -0.238 18788 2030 1 3 . 1 1 110 110 LYS N N 110 117.700 117.700 122.352 -4.652 18788 2031 1 3 . 1 1 110 110 LYS HA H 110 5.120 5.120 4.929 0.191 18788 2032 1 3 . 1 1 110 110 LYS C C 110 175.800 175.800 175.328 0.472 18788 2033 1 3 . 1 1 110 110 LYS CA C 110 53.800 53.800 54.722 -0.922 18788 2034 1 3 . 1 1 110 110 LYS CB C 110 35.300 35.300 37.063 -1.763 18788 2035 1 3 . 1 1 110 110 LYS H H 110 7.890 7.890 7.969 -0.079 18788 2036 1 3 . 1 1 111 111 VAL N N 111 123.100 123.100 125.672 -2.572 18788 2037 1 3 . 1 1 111 111 VAL HA H 111 4.630 4.630 4.285 0.345 18788 2038 1 3 . 1 1 111 111 VAL C C 111 176.500 176.500 175.968 0.532 18788 2039 1 3 . 1 1 111 111 VAL CA C 111 63.100 63.100 64.195 -1.095 18788 2040 1 3 . 1 1 111 111 VAL CB C 111 30.600 30.600 31.779 -1.179 18788 2041 1 3 . 1 1 111 111 VAL H H 111 9.180 9.180 9.275 -0.095 18788 2042 1 3 . 1 1 112 112 ALA N N 112 131.500 131.500 131.127 0.373 18788 2043 1 3 . 1 1 112 112 ALA HA H 112 4.150 4.150 4.659 -0.509 18788 2044 1 3 . 1 1 112 112 ALA C C 112 173.300 173.300 175.722 -2.422 18788 2045 1 3 . 1 1 112 112 ALA CA C 112 51.300 51.300 50.847 0.453 18788 2046 1 3 . 1 1 112 112 ALA CB C 112 23.900 23.900 20.827 3.073 18788 2047 1 3 . 1 1 112 112 ALA H H 112 8.000 8.000 8.459 -0.459 18788 2048 1 3 . 1 1 114 114 VAL N N 114 123.100 123.100 126.742 -3.642 18788 2049 1 3 . 1 1 114 114 VAL HA H 114 3.550 3.550 3.988 -0.438 18788 2050 1 3 . 1 1 114 114 VAL C C 114 174.600 174.600 175.445 -0.845 18788 2051 1 3 . 1 1 114 114 VAL CA C 114 62.000 62.000 62.577 -0.577 18788 2052 1 3 . 1 1 114 114 VAL CB C 114 30.300 30.300 32.067 -1.767 18788 2053 1 3 . 1 1 114 114 VAL H H 114 7.480 7.480 7.878 -0.398 18788 2054 1 3 . 1 1 115 115 TYR N N 115 130.100 130.100 129.287 0.813 18788 2055 1 3 . 1 1 115 115 TYR HA H 115 4.940 4.940 4.502 0.438 18788 2056 1 3 . 1 1 115 115 TYR C C 115 175.700 175.700 173.873 1.827 18788 2057 1 3 . 1 1 115 115 TYR CA C 115 54.900 54.900 56.202 -1.302 18788 2058 1 3 . 1 1 115 115 TYR CB C 115 38.200 38.200 39.490 -1.290 18788 2059 1 3 . 1 1 115 115 TYR H H 115 8.970 8.970 8.676 0.294 18788 2060 1 3 . 1 1 116 116 LYS N N 116 125.400 125.400 128.125 -2.725 18788 2061 1 3 . 1 1 116 116 LYS HA H 116 3.940 3.940 4.417 -0.477 18788 2062 1 3 . 1 1 116 116 LYS C C 116 175.100 175.100 175.378 -0.278 18788 2063 1 3 . 1 1 116 116 LYS CA C 116 56.400 56.400 54.572 1.828 18788 2064 1 3 . 1 1 116 116 LYS CB C 116 31.600 31.600 31.765 -0.165 18788 2065 1 3 . 1 1 116 116 LYS H H 116 8.770 8.770 8.298 0.472 18788 2066 1 3 . 1 1 117 117 PRO HA H 117 4.620 4.620 4.450 0.170 18788 2067 1 3 . 1 1 117 117 PRO C C 117 175.600 175.600 175.925 -0.325 18788 2068 1 3 . 1 1 117 117 PRO CA C 117 64.100 64.100 62.902 1.198 18788 2069 1 3 . 1 1 117 117 PRO CB C 117 32.600 32.600 31.781 0.819 18788 2070 1 3 . 1 1 118 118 ASN N N 118 128.800 128.800 119.866 8.934 18788 2071 1 3 . 1 1 118 118 ASN HA H 118 5.310 5.310 4.754 0.556 18788 2072 1 3 . 1 1 118 118 ASN C C 118 174.500 174.500 173.929 0.571 18788 2073 1 3 . 1 1 118 118 ASN CA C 118 51.600 51.600 54.389 -2.789 18788 2074 1 3 . 1 1 118 118 ASN CB C 118 36.200 36.200 37.669 -1.469 18788 2075 1 3 . 1 1 118 118 ASN H H 118 8.710 8.710 7.696 1.014 18788 2076 1 3 . 1 1 119 119 ASN N N 119 117.600 117.600 120.632 -3.032 18788 2077 1 3 . 1 1 119 119 ASN HA H 119 5.020 5.020 4.901 0.119 18788 2078 1 3 . 1 1 119 119 ASN C C 119 177.500 177.500 176.611 0.889 18788 2079 1 3 . 1 1 119 119 ASN CA C 119 51.900 51.900 53.872 -1.972 18788 2080 1 3 . 1 1 119 119 ASN CB C 119 39.100 39.100 40.847 -1.747 18788 2081 1 3 . 1 1 119 119 ASN H H 119 8.120 8.120 9.599 -1.479 18788 2082 1 3 . 1 1 120 120 THR N N 120 124.400 124.400 118.226 6.174 18788 2083 1 3 . 1 1 120 120 THR HA H 120 3.850 3.850 4.083 -0.233 18788 2084 1 3 . 1 1 120 120 THR C C 120 176.400 176.400 175.385 1.015 18788 2085 1 3 . 1 1 120 120 THR CA C 120 69.100 69.100 66.562 2.538 18788 2086 1 3 . 1 1 120 120 THR CB C 120 66.800 66.800 69.004 -2.204 18788 2087 1 3 . 1 1 120 120 THR H H 120 10.730 10.730 9.466 1.264 18788 2088 1 3 . 1 1 121 121 HIS N N 121 113.400 113.400 117.160 -3.760 18788 2089 1 3 . 1 1 121 121 HIS HA H 121 5.420 5.420 4.777 0.643 18788 2090 1 3 . 1 1 121 121 HIS C C 121 174.800 174.800 175.043 -0.243 18788 2091 1 3 . 1 1 121 121 HIS CA C 121 53.900 53.900 54.996 -1.096 18788 2092 1 3 . 1 1 121 121 HIS CB C 121 29.400 29.400 29.786 -0.386 18788 2093 1 3 . 1 1 121 121 HIS H H 121 6.860 6.860 7.773 -0.913 18788 2094 1 3 . 1 1 122 122 GLU N N 122 120.200 120.200 122.070 -1.870 18788 2095 1 3 . 1 1 122 122 GLU HA H 122 3.700 3.700 3.989 -0.289 18788 2096 1 3 . 1 1 122 122 GLU C C 122 177.200 177.200 178.172 -0.972 18788 2097 1 3 . 1 1 122 122 GLU CA C 122 61.200 61.200 60.608 0.591 18788 2098 1 3 . 1 1 122 122 GLU CB C 122 29.900 29.900 29.642 0.258 18788 2099 1 3 . 1 1 122 122 GLU H H 122 7.540 7.540 8.195 -0.655 18788 2100 1 3 . 1 1 123 123 GLN N N 123 117.200 117.200 117.721 -0.521 18788 2101 1 3 . 1 1 123 123 GLN HA H 123 3.970 3.970 4.096 -0.126 18788 2102 1 3 . 1 1 123 123 GLN C C 123 178.600 178.600 178.530 0.070 18788 2103 1 3 . 1 1 123 123 GLN CA C 123 59.500 59.500 58.419 1.081 18788 2104 1 3 . 1 1 123 123 GLN CB C 123 27.100 27.100 28.195 -1.095 18788 2105 1 3 . 1 1 123 123 GLN H H 123 8.920 8.920 8.465 0.455 18788 2106 1 3 . 1 1 124 124 LEU N N 124 122.000 122.000 121.488 0.512 18788 2107 1 3 . 1 1 124 124 LEU HA H 124 4.090 4.090 4.064 0.026 18788 2108 1 3 . 1 1 124 124 LEU C C 124 179.100 179.100 178.366 0.734 18788 2109 1 3 . 1 1 124 124 LEU CA C 124 58.600 58.600 57.720 0.880 18788 2110 1 3 . 1 1 124 124 LEU CB C 124 42.000 42.000 41.201 0.799 18788 2111 1 3 . 1 1 124 124 LEU H H 124 7.940 7.940 7.836 0.104 18788 2112 1 3 . 1 1 125 125 LEU N N 125 118.900 118.900 118.185 0.715 18788 2113 1 3 . 1 1 125 125 LEU HA H 125 4.000 4.000 3.908 0.092 18788 2114 1 3 . 1 1 125 125 LEU C C 125 179.200 179.200 179.094 0.106 18788 2115 1 3 . 1 1 125 125 LEU CA C 125 58.900 58.900 57.678 1.222 18788 2116 1 3 . 1 1 125 125 LEU CB C 125 41.100 41.100 41.494 -0.394 18788 2117 1 3 . 1 1 125 125 LEU H H 125 8.030 8.030 7.903 0.127 18788 2118 1 3 . 1 1 126 126 ARG N N 126 118.800 118.800 119.270 -0.470 18788 2119 1 3 . 1 1 126 126 ARG HA H 126 4.030 4.030 3.910 0.120 18788 2120 1 3 . 1 1 126 126 ARG C C 126 179.700 179.700 178.488 1.212 18788 2121 1 3 . 1 1 126 126 ARG CA C 126 60.600 60.600 59.907 0.693 18788 2122 1 3 . 1 1 126 126 ARG CB C 126 29.100 29.100 29.720 -0.620 18788 2123 1 3 . 1 1 126 126 ARG H H 126 9.010 9.010 8.382 0.628 18788 2124 1 3 . 1 1 127 127 LYS N N 127 122.700 122.700 119.935 2.765 18788 2125 1 3 . 1 1 127 127 LYS HA H 127 4.150 4.150 4.018 0.132 18788 2126 1 3 . 1 1 127 127 LYS C C 127 179.800 179.800 178.987 0.813 18788 2127 1 3 . 1 1 127 127 LYS CA C 127 60.100 60.100 59.094 1.006 18788 2128 1 3 . 1 1 127 127 LYS CB C 127 31.700 31.700 32.000 -0.300 18788 2129 1 3 . 1 1 127 127 LYS H H 127 8.160 8.160 7.910 0.250 18788 2130 1 3 . 1 1 128 128 SER N N 128 118.300 118.300 115.326 2.974 18788 2131 1 3 . 1 1 128 128 SER HA H 128 4.320 4.320 4.168 0.152 18788 2132 1 3 . 1 1 128 128 SER C C 128 175.500 175.500 176.451 -0.951 18788 2133 1 3 . 1 1 128 128 SER CA C 128 63.600 63.600 62.293 1.307 18788 2134 1 3 . 1 1 128 128 SER CB C 128 62.600 62.600 63.094 -0.494 18788 2135 1 3 . 1 1 128 128 SER H H 128 7.830 7.830 7.743 0.087 18788 2136 1 3 . 1 1 129 129 GLU N N 129 125.200 125.200 123.212 1.988 18788 2137 1 3 . 1 1 129 129 GLU HA H 129 3.900 3.900 4.135 -0.235 18788 2138 1 3 . 1 1 129 129 GLU C C 129 177.400 177.400 178.336 -0.936 18788 2139 1 3 . 1 1 129 129 GLU CA C 129 59.200 59.200 59.187 0.013 18788 2140 1 3 . 1 1 129 129 GLU CB C 129 30.900 30.900 29.744 1.157 18788 2141 1 3 . 1 1 129 129 GLU H H 129 8.580 8.580 8.240 0.340 18788 2142 1 3 . 1 1 130 130 ALA N N 130 119.500 119.500 121.987 -2.487 18788 2143 1 3 . 1 1 130 130 ALA HA H 130 3.850 3.850 3.824 0.026 18788 2144 1 3 . 1 1 130 130 ALA C C 130 181.000 181.000 179.788 1.212 18788 2145 1 3 . 1 1 130 130 ALA CA C 130 55.000 55.000 55.078 -0.078 18788 2146 1 3 . 1 1 130 130 ALA CB C 130 17.600 17.600 17.868 -0.268 18788 2147 1 3 . 1 1 130 130 ALA H H 130 7.950 7.950 8.431 -0.481 18788 2148 1 3 . 1 1 131 131 GLN N N 131 118.600 118.600 118.757 -0.157 18788 2149 1 3 . 1 1 131 131 GLN HA H 131 3.990 3.990 4.009 -0.019 18788 2150 1 3 . 1 1 131 131 GLN C C 131 177.200 177.200 178.135 -0.935 18788 2151 1 3 . 1 1 131 131 GLN CA C 131 58.800 58.800 58.495 0.305 18788 2152 1 3 . 1 1 131 131 GLN CB C 131 28.000 28.000 28.427 -0.427 18788 2153 1 3 . 1 1 131 131 GLN H H 131 7.520 7.520 7.760 -0.240 18788 2154 1 3 . 1 1 132 132 ALA N N 132 123.100 123.100 122.076 1.024 18788 2155 1 3 . 1 1 132 132 ALA HA H 132 3.930 3.930 4.070 -0.140 18788 2156 1 3 . 1 1 132 132 ALA C C 132 179.500 179.500 179.487 0.013 18788 2157 1 3 . 1 1 132 132 ALA CA C 132 55.600 55.600 54.990 0.610 18788 2158 1 3 . 1 1 132 132 ALA CB C 132 18.400 18.400 18.531 -0.131 18788 2159 1 3 . 1 1 132 132 ALA H H 132 8.000 8.000 7.586 0.414 18788 2160 1 3 . 1 1 133 133 LYS N N 133 117.200 117.200 117.111 0.089 18788 2161 1 3 . 1 1 133 133 LYS HA H 133 3.450 3.450 3.485 -0.035 18788 2162 1 3 . 1 1 133 133 LYS C C 133 180.800 180.800 178.618 2.182 18788 2163 1 3 . 1 1 133 133 LYS CA C 133 59.500 59.500 58.770 0.730 18788 2164 1 3 . 1 1 133 133 LYS CB C 133 32.200 32.200 32.061 0.139 18788 2165 1 3 . 1 1 133 133 LYS H H 133 8.170 8.170 7.762 0.408 18788 2166 1 3 . 1 1 134 134 LYS N N 134 122.600 122.600 117.480 5.120 18788 2167 1 3 . 1 1 134 134 LYS HA H 134 3.960 3.960 4.099 -0.139 18788 2168 1 3 . 1 1 134 134 LYS C C 134 178.700 178.700 178.307 0.393 18788 2169 1 3 . 1 1 134 134 LYS CA C 134 59.200 59.200 58.416 0.784 18788 2170 1 3 . 1 1 134 134 LYS CB C 134 32.200 32.200 32.359 -0.159 18788 2171 1 3 . 1 1 134 134 LYS H H 134 7.830 7.830 7.603 0.227 18788 2172 1 3 . 1 1 135 135 GLU N N 135 116.500 116.500 117.497 -0.997 18788 2173 1 3 . 1 1 135 135 GLU HA H 135 4.030 4.030 4.367 -0.337 18788 2174 1 3 . 1 1 135 135 GLU C C 135 174.500 174.500 175.453 -0.953 18788 2175 1 3 . 1 1 135 135 GLU CA C 135 56.700 56.700 56.411 0.289 18788 2176 1 3 . 1 1 135 135 GLU CB C 135 29.700 29.700 30.080 -0.380 18788 2177 1 3 . 1 1 135 135 GLU H H 135 7.680 7.680 7.544 0.136 18788 2178 1 3 . 1 1 136 136 LYS N N 136 116.800 116.800 116.717 0.083 18788 2179 1 3 . 1 1 136 136 LYS HA H 136 3.540 3.540 4.000 -0.460 18788 2180 1 3 . 1 1 136 136 LYS C C 136 175.000 175.000 176.059 -1.059 18788 2181 1 3 . 1 1 136 136 LYS CA C 136 56.800 56.800 56.857 -0.057 18788 2182 1 3 . 1 1 136 136 LYS CB C 136 28.800 28.800 29.446 -0.646 18788 2183 1 3 . 1 1 136 136 LYS H H 136 7.820 7.820 7.692 0.128 18788 2184 1 3 . 1 1 137 137 LEU N N 137 117.000 117.000 117.387 -0.387 18788 2185 1 3 . 1 1 137 137 LEU HA H 137 4.190 4.190 4.221 -0.031 18788 2186 1 3 . 1 1 137 137 LEU C C 137 178.500 178.500 178.513 -0.013 18788 2187 1 3 . 1 1 137 137 LEU CA C 137 55.000 55.000 55.107 -0.107 18788 2188 1 3 . 1 1 137 137 LEU CB C 137 44.000 44.000 42.584 1.416 18788 2189 1 3 . 1 1 137 137 LEU H H 137 7.650 7.650 7.710 -0.060 18788 2190 1 3 . 1 1 138 138 ASN N N 138 118.700 118.700 118.674 0.026 18788 2191 1 3 . 1 1 138 138 ASN HA H 138 3.730 3.730 4.370 -0.640 18788 2192 1 3 . 1 1 138 138 ASN C C 138 176.300 176.300 177.387 -1.087 18788 2193 1 3 . 1 1 138 138 ASN CA C 138 56.600 56.600 56.010 0.590 18788 2194 1 3 . 1 1 138 138 ASN CB C 138 38.700 38.700 38.099 0.601 18788 2195 1 3 . 1 1 138 138 ASN H H 138 9.050 9.050 8.924 0.126 18788 2196 1 3 . 1 1 139 139 ILE N N 139 123.800 123.800 112.251 11.549 18788 2197 1 3 . 1 1 139 139 ILE HA H 139 3.380 3.380 4.076 -0.696 18788 2198 1 3 . 1 1 139 139 ILE C C 139 176.700 176.700 176.097 0.603 18788 2199 1 3 . 1 1 139 139 ILE CA C 139 65.700 65.700 62.549 3.151 18788 2200 1 3 . 1 1 139 139 ILE CB C 139 37.000 37.000 37.377 -0.377 18788 2201 1 3 . 1 1 139 139 ILE H H 139 8.350 8.350 7.135 1.215 18788 2202 1 3 . 1 1 140 140 TRP N N 140 119.700 119.700 120.166 -0.466 18788 2203 1 3 . 1 1 140 140 TRP HA H 140 4.940 4.940 4.674 0.266 18788 2204 1 3 . 1 1 140 140 TRP C C 140 176.200 176.200 176.401 -0.201 18788 2205 1 3 . 1 1 140 140 TRP CA C 140 54.900 54.900 56.105 -1.205 18788 2206 1 3 . 1 1 140 140 TRP CB C 140 30.000 30.000 29.862 0.138 18788 2207 1 3 . 1 1 140 140 TRP H H 140 7.850 7.850 7.816 0.034 18788 2208 1 3 . 1 1 141 141 SER N N 141 116.100 116.100 116.826 -0.726 18788 2209 1 3 . 1 1 141 141 SER HA H 141 4.220 4.220 4.485 -0.265 18788 2210 1 3 . 1 1 141 141 SER C C 141 175.200 175.200 174.170 1.030 18788 2211 1 3 . 1 1 141 141 SER CA C 141 59.800 59.800 58.741 1.059 18788 2212 1 3 . 1 1 141 141 SER CB C 141 64.600 64.600 63.334 1.266 18788 2213 1 3 . 1 1 141 141 SER H H 141 8.080 8.080 7.862 0.218 18788 2214 1 3 . 1 1 142 142 GLU N N 142 121.200 121.200 128.083 -6.883 18788 2215 1 3 . 1 1 142 142 GLU HA H 142 4.430 4.430 4.296 0.134 18788 2216 1 3 . 1 1 142 142 GLU C C 142 176.200 176.200 176.021 0.179 18788 2217 1 3 . 1 1 142 142 GLU CA C 142 56.100 56.100 56.314 -0.214 18788 2218 1 3 . 1 1 142 142 GLU CB C 142 30.500 30.500 29.801 0.699 18788 2219 1 3 . 1 1 142 142 GLU H H 142 8.020 8.020 8.658 -0.638 18788 2220 1 3 . 1 1 143 143 ASP N N 143 121.400 121.400 125.396 -3.996 18788 2221 1 3 . 1 1 143 143 ASP HA H 143 4.620 4.620 4.715 -0.095 18788 2222 1 3 . 1 1 143 143 ASP C C 143 176.100 176.100 176.873 -0.773 18788 2223 1 3 . 1 1 143 143 ASP CA C 143 54.800 54.800 53.727 1.073 18788 2224 1 3 . 1 1 143 143 ASP CB C 143 41.200 41.200 42.285 -1.085 18788 2225 1 3 . 1 1 143 143 ASP H H 143 8.370 8.370 8.180 0.190 18788 2226 1 3 . 1 1 144 144 ASN N N 144 119.300 119.300 119.047 0.253 18788 2227 1 3 . 1 1 144 144 ASN HA H 144 4.760 4.760 4.682 0.078 18788 2228 1 3 . 1 1 144 144 ASN C C 144 175.200 175.200 175.093 0.107 18788 2229 1 3 . 1 1 144 144 ASN CA C 144 53.200 53.200 53.780 -0.580 18788 2230 1 3 . 1 1 144 144 ASN CB C 144 39.000 39.000 38.943 0.057 18788 2231 1 3 . 1 1 144 144 ASN H H 144 8.400 8.400 8.589 -0.189 18788 2232 1 3 . 1 1 145 145 ALA N N 145 124.300 124.300 121.170 3.130 18788 2233 1 3 . 1 1 145 145 ALA HA H 145 4.310 4.310 4.030 0.280 18788 2234 1 3 . 1 1 145 145 ALA C C 145 177.700 177.700 176.657 1.043 18788 2235 1 3 . 1 1 145 145 ALA CA C 145 53.300 53.300 53.298 0.001 18788 2236 1 3 . 1 1 145 145 ALA CB C 145 19.200 19.200 17.240 1.960 18788 2237 1 3 . 1 1 145 145 ALA H H 145 8.240 8.240 8.575 -0.335 18788 2238 1 3 . 1 1 146 146 ASP N N 146 119.200 119.200 117.696 1.504 18788 2239 1 3 . 1 1 146 146 ASP HA H 146 4.670 4.670 4.645 0.025 18788 2240 1 3 . 1 1 146 146 ASP C C 146 176.400 176.400 177.264 -0.864 18788 2241 1 3 . 1 1 146 146 ASP CA C 146 54.400 54.400 54.953 -0.553 18788 2242 1 3 . 1 1 146 146 ASP CB C 146 41.200 41.200 41.675 -0.475 18788 2243 1 3 . 1 1 146 146 ASP H H 146 8.340 8.340 8.530 -0.190 18788 2244 1 3 . 1 1 147 147 SER N N 147 116.100 116.100 115.220 0.880 18788 2245 1 3 . 1 1 147 147 SER HA H 147 4.450 4.450 4.445 0.005 18788 2246 1 3 . 1 1 147 147 SER C C 147 175.200 175.200 174.977 0.223 18788 2247 1 3 . 1 1 147 147 SER CA C 147 58.900 58.900 60.111 -1.211 18788 2248 1 3 . 1 1 147 147 SER CB C 147 64.100 64.100 63.792 0.308 18788 2249 1 3 . 1 1 147 147 SER H H 147 8.220 8.220 8.649 -0.429 18788 2250 1 3 . 1 1 148 148 GLY N N 148 111.200 111.200 108.276 2.924 18788 2251 1 3 . 1 1 148 148 GLY C C 148 173.400 173.400 173.707 -0.307 18788 2252 1 3 . 1 1 148 148 GLY CA C 148 45.500 45.500 45.073 0.427 18788 2253 1 3 . 1 1 148 148 GLY H H 148 8.470 8.470 8.168 0.302 18788 2254 1 4 . 1 1 2 2 THR N N 2 120.300 120.300 117.979 2.321 18788 2255 1 4 . 1 1 2 2 THR HA H 2 4.430 4.430 4.664 -0.234 18788 2256 1 4 . 1 1 2 2 THR C C 2 174.400 174.400 173.596 0.804 18788 2257 1 4 . 1 1 2 2 THR CA C 2 62.100 62.100 62.396 -0.296 18788 2258 1 4 . 1 1 2 2 THR CB C 2 69.900 69.900 69.561 0.339 18788 2259 1 4 . 1 1 2 2 THR H H 2 8.320 8.320 8.319 0.001 18788 2260 1 4 . 1 1 3 3 SER N N 3 118.700 118.700 120.146 -1.446 18788 2261 1 4 . 1 1 3 3 SER HA H 3 5.000 5.000 4.767 0.233 18788 2262 1 4 . 1 1 3 3 SER CA C 3 58.400 58.400 57.581 0.819 18788 2263 1 4 . 1 1 3 3 SER CB C 3 68.800 68.800 64.907 3.893 18788 2264 1 4 . 1 1 3 3 SER H H 3 8.520 8.520 8.506 0.014 18788 2265 1 4 . 1 1 4 4 THR HA H 4 4.380 4.380 4.532 -0.152 18788 2266 1 4 . 1 1 4 4 THR C C 4 174.400 174.400 173.258 1.142 18788 2267 1 4 . 1 1 4 4 THR CA C 4 62.000 62.000 62.538 -0.539 18788 2268 1 4 . 1 1 4 4 THR CB C 4 69.700 69.700 68.600 1.100 18788 2269 1 4 . 1 1 5 5 LYS N N 5 124.000 124.000 124.073 -0.073 18788 2270 1 4 . 1 1 5 5 LYS HA H 5 4.370 4.370 4.474 -0.104 18788 2271 1 4 . 1 1 5 5 LYS C C 5 176.100 176.100 174.417 1.683 18788 2272 1 4 . 1 1 5 5 LYS CA C 5 56.500 56.500 56.309 0.190 18788 2273 1 4 . 1 1 5 5 LYS CB C 5 32.900 32.900 34.501 -1.601 18788 2274 1 4 . 1 1 5 5 LYS H H 5 8.320 8.320 8.109 0.211 18788 2275 1 4 . 1 1 6 6 LYS N N 6 122.500 122.500 121.232 1.268 18788 2276 1 4 . 1 1 6 6 LYS HA H 6 4.400 4.400 4.636 -0.236 18788 2277 1 4 . 1 1 6 6 LYS C C 6 176.200 176.200 175.496 0.704 18788 2278 1 4 . 1 1 6 6 LYS CA C 6 55.900 55.900 55.236 0.664 18788 2279 1 4 . 1 1 6 6 LYS CB C 6 33.600 33.600 34.285 -0.685 18788 2280 1 4 . 1 1 6 6 LYS H H 6 8.220 8.220 8.026 0.194 18788 2281 1 4 . 1 1 7 7 LEU N N 7 122.200 122.200 116.879 5.321 18788 2282 1 4 . 1 1 7 7 LEU HA H 7 4.550 4.550 4.857 -0.307 18788 2283 1 4 . 1 1 7 7 LEU C C 7 176.600 176.600 176.445 0.155 18788 2284 1 4 . 1 1 7 7 LEU CA C 7 54.800 54.800 54.156 0.644 18788 2285 1 4 . 1 1 7 7 LEU CB C 7 41.500 41.500 43.980 -2.481 18788 2286 1 4 . 1 1 7 7 LEU H H 7 8.340 8.340 8.283 0.057 18788 2287 1 4 . 1 1 8 8 HIS N N 8 119.200 119.200 112.650 6.550 18788 2288 1 4 . 1 1 8 8 HIS HA H 8 4.990 4.990 4.956 0.034 18788 2289 1 4 . 1 1 8 8 HIS C C 8 173.700 173.700 173.875 -0.175 18788 2290 1 4 . 1 1 8 8 HIS CA C 8 55.300 55.300 55.315 -0.015 18788 2291 1 4 . 1 1 8 8 HIS CB C 8 32.200 32.200 32.277 -0.077 18788 2292 1 4 . 1 1 8 8 HIS H H 8 8.860 8.860 8.806 0.054 18788 2293 1 4 . 1 1 9 9 LYS N N 9 124.000 124.000 123.816 0.184 18788 2294 1 4 . 1 1 9 9 LYS HA H 9 4.840 4.840 4.640 0.200 18788 2295 1 4 . 1 1 9 9 LYS C C 9 176.400 176.400 175.755 0.645 18788 2296 1 4 . 1 1 9 9 LYS CA C 9 55.700 55.700 55.695 0.005 18788 2297 1 4 . 1 1 9 9 LYS CB C 9 34.700 34.700 33.775 0.925 18788 2298 1 4 . 1 1 9 9 LYS H H 9 8.480 8.480 8.660 -0.180 18788 2299 1 4 . 1 1 10 10 GLU N N 10 123.100 123.100 123.496 -0.396 18788 2300 1 4 . 1 1 10 10 GLU HA H 10 5.060 5.060 5.062 -0.002 18788 2301 1 4 . 1 1 10 10 GLU C C 10 173.200 173.200 174.377 -1.177 18788 2302 1 4 . 1 1 10 10 GLU CA C 10 53.400 53.400 53.012 0.388 18788 2303 1 4 . 1 1 10 10 GLU CB C 10 33.000 33.000 32.192 0.808 18788 2304 1 4 . 1 1 10 10 GLU H H 10 9.390 9.390 8.925 0.465 18788 2305 1 4 . 1 1 11 11 PRO HA H 11 4.900 4.900 5.046 -0.146 18788 2306 1 4 . 1 1 11 11 PRO C C 11 175.400 175.400 175.557 -0.157 18788 2307 1 4 . 1 1 11 11 PRO CA C 11 63.100 63.100 62.584 0.516 18788 2308 1 4 . 1 1 11 11 PRO CB C 11 33.000 33.000 32.594 0.405 18788 2309 1 4 . 1 1 12 12 ALA N N 12 119.700 119.700 123.791 -4.091 18788 2310 1 4 . 1 1 12 12 ALA HA H 12 4.990 4.990 5.146 -0.156 18788 2311 1 4 . 1 1 12 12 ALA C C 12 175.400 175.400 175.525 -0.125 18788 2312 1 4 . 1 1 12 12 ALA CA C 12 51.600 51.600 50.956 0.644 18788 2313 1 4 . 1 1 12 12 ALA CB C 12 24.600 24.600 23.233 1.367 18788 2314 1 4 . 1 1 12 12 ALA H H 12 8.070 8.070 8.876 -0.806 18788 2315 1 4 . 1 1 13 13 THR N N 13 109.100 109.100 114.257 -5.157 18788 2316 1 4 . 1 1 13 13 THR HA H 13 4.700 4.700 4.734 -0.034 18788 2317 1 4 . 1 1 13 13 THR C C 13 174.000 174.000 172.882 1.118 18788 2318 1 4 . 1 1 13 13 THR CA C 13 60.700 60.700 61.426 -0.726 18788 2319 1 4 . 1 1 13 13 THR CB C 13 71.600 71.600 72.658 -1.058 18788 2320 1 4 . 1 1 13 13 THR H H 13 8.090 8.090 8.493 -0.403 18788 2321 1 4 . 1 1 14 14 LEU N N 14 125.200 125.200 126.831 -1.631 18788 2322 1 4 . 1 1 14 14 LEU HA H 14 4.140 4.140 4.311 -0.171 18788 2323 1 4 . 1 1 14 14 LEU C C 14 176.700 176.700 175.636 1.064 18788 2324 1 4 . 1 1 14 14 LEU CA C 14 56.800 56.800 55.450 1.350 18788 2325 1 4 . 1 1 14 14 LEU CB C 14 42.900 42.900 43.036 -0.136 18788 2326 1 4 . 1 1 14 14 LEU H H 14 9.150 9.150 8.890 0.260 18788 2327 1 4 . 1 1 15 15 ILE N N 15 125.200 125.200 125.312 -0.112 18788 2328 1 4 . 1 1 15 15 ILE HA H 15 4.220 4.220 4.102 0.118 18788 2329 1 4 . 1 1 15 15 ILE C C 15 175.900 175.900 176.022 -0.122 18788 2330 1 4 . 1 1 15 15 ILE CA C 15 64.300 64.300 62.617 1.683 18788 2331 1 4 . 1 1 15 15 ILE CB C 15 38.700 38.700 39.017 -0.317 18788 2332 1 4 . 1 1 15 15 ILE H H 15 8.460 8.460 8.693 -0.233 18788 2333 1 4 . 1 1 16 16 LYS N N 16 114.100 114.100 117.220 -3.120 18788 2334 1 4 . 1 1 16 16 LYS HA H 16 4.460 4.460 4.632 -0.172 18788 2335 1 4 . 1 1 16 16 LYS C C 16 174.000 174.000 174.208 -0.208 18788 2336 1 4 . 1 1 16 16 LYS CA C 16 56.600 56.600 55.168 1.432 18788 2337 1 4 . 1 1 16 16 LYS CB C 16 35.300 35.300 36.590 -1.290 18788 2338 1 4 . 1 1 16 16 LYS H H 16 8.050 8.050 8.148 -0.098 18788 2339 1 4 . 1 1 17 17 ALA N N 17 129.100 129.100 126.230 2.870 18788 2340 1 4 . 1 1 17 17 ALA HA H 17 4.480 4.480 4.610 -0.130 18788 2341 1 4 . 1 1 17 17 ALA C C 17 175.700 175.700 177.637 -1.937 18788 2342 1 4 . 1 1 17 17 ALA CA C 17 52.300 52.300 51.653 0.647 18788 2343 1 4 . 1 1 17 17 ALA CB C 17 18.200 18.200 18.601 -0.400 18788 2344 1 4 . 1 1 17 17 ALA H H 17 9.470 9.470 8.647 0.823 18788 2345 1 4 . 1 1 18 18 ILE N N 18 123.500 123.500 124.881 -1.381 18788 2346 1 4 . 1 1 18 18 ILE HA H 18 4.110 4.110 3.752 0.358 18788 2347 1 4 . 1 1 18 18 ILE C C 18 175.100 175.100 176.471 -1.371 18788 2348 1 4 . 1 1 18 18 ILE CA C 18 63.200 63.200 63.936 -0.736 18788 2349 1 4 . 1 1 18 18 ILE CB C 18 37.800 37.800 38.522 -0.722 18788 2350 1 4 . 1 1 18 18 ILE H H 18 8.070 8.070 8.234 -0.164 18788 2351 1 4 . 1 1 19 19 ASP N N 19 120.500 120.500 115.072 5.428 18788 2352 1 4 . 1 1 19 19 ASP HA H 19 4.730 4.730 4.796 -0.066 18788 2353 1 4 . 1 1 19 19 ASP C C 19 176.800 176.800 177.372 -0.572 18788 2354 1 4 . 1 1 19 19 ASP CA C 19 53.400 53.400 53.550 -0.150 18788 2355 1 4 . 1 1 19 19 ASP CB C 19 40.100 40.100 42.841 -2.741 18788 2356 1 4 . 1 1 19 19 ASP H H 19 8.290 8.290 7.971 0.319 18788 2357 1 4 . 1 1 20 20 GLY N N 20 103.500 103.500 107.624 -4.124 18788 2358 1 4 . 1 1 20 20 GLY C C 20 173.300 173.300 175.096 -1.796 18788 2359 1 4 . 1 1 20 20 GLY CA C 20 47.700 47.700 47.253 0.447 18788 2360 1 4 . 1 1 20 20 GLY H H 20 8.460 8.460 8.581 -0.121 18788 2361 1 4 . 1 1 21 21 ASP N N 21 111.200 111.200 118.262 -7.062 18788 2362 1 4 . 1 1 21 21 ASP HA H 21 4.850 4.850 4.609 0.241 18788 2363 1 4 . 1 1 21 21 ASP C C 21 175.300 175.300 175.652 -0.352 18788 2364 1 4 . 1 1 21 21 ASP CA C 21 52.100 52.100 54.815 -2.715 18788 2365 1 4 . 1 1 21 21 ASP CB C 21 40.600 40.600 40.886 -0.286 18788 2366 1 4 . 1 1 21 21 ASP H H 21 7.640 7.640 8.278 -0.638 18788 2367 1 4 . 1 1 22 22 THR N N 22 113.200 113.200 115.059 -1.859 18788 2368 1 4 . 1 1 22 22 THR HA H 22 5.700 5.700 5.426 0.274 18788 2369 1 4 . 1 1 22 22 THR C C 22 174.000 174.000 173.180 0.820 18788 2370 1 4 . 1 1 22 22 THR CA C 22 61.000 61.000 60.909 0.091 18788 2371 1 4 . 1 1 22 22 THR CB C 22 71.800 71.800 71.159 0.641 18788 2372 1 4 . 1 1 22 22 THR H H 22 7.610 7.610 7.461 0.149 18788 2373 1 4 . 1 1 23 23 VAL N N 23 118.000 118.000 120.817 -2.817 18788 2374 1 4 . 1 1 23 23 VAL HA H 23 4.620 4.620 4.758 -0.138 18788 2375 1 4 . 1 1 23 23 VAL C C 23 172.100 172.100 173.239 -1.139 18788 2376 1 4 . 1 1 23 23 VAL CA C 23 60.100 60.100 59.526 0.574 18788 2377 1 4 . 1 1 23 23 VAL CB C 23 36.200 36.200 35.295 0.905 18788 2378 1 4 . 1 1 23 23 VAL H H 23 8.910 8.910 9.302 -0.392 18788 2379 1 4 . 1 1 24 24 LYS N N 24 127.000 127.000 122.798 4.202 18788 2380 1 4 . 1 1 24 24 LYS HA H 24 5.440 5.440 5.247 0.193 18788 2381 1 4 . 1 1 24 24 LYS C C 24 175.200 175.200 174.915 0.285 18788 2382 1 4 . 1 1 24 24 LYS CA C 24 55.600 55.600 55.127 0.473 18788 2383 1 4 . 1 1 24 24 LYS CB C 24 34.400 34.400 34.399 0.001 18788 2384 1 4 . 1 1 24 24 LYS H H 24 9.470 9.470 8.873 0.597 18788 2385 1 4 . 1 1 25 25 LEU N N 25 127.000 127.000 122.828 4.172 18788 2386 1 4 . 1 1 25 25 LEU HA H 25 5.210 5.210 4.942 0.268 18788 2387 1 4 . 1 1 25 25 LEU C C 25 174.500 174.500 174.707 -0.207 18788 2388 1 4 . 1 1 25 25 LEU CA C 25 53.100 53.100 52.849 0.251 18788 2389 1 4 . 1 1 25 25 LEU CB C 25 45.500 45.500 45.032 0.468 18788 2390 1 4 . 1 1 25 25 LEU H H 25 9.380 9.380 9.272 0.108 18788 2391 1 4 . 1 1 26 26 MET N N 26 122.000 122.000 119.785 2.215 18788 2392 1 4 . 1 1 26 26 MET HA H 26 4.880 4.880 4.965 -0.085 18788 2393 1 4 . 1 1 26 26 MET C C 26 175.100 175.100 174.244 0.856 18788 2394 1 4 . 1 1 26 26 MET CA C 26 54.700 54.700 54.952 -0.251 18788 2395 1 4 . 1 1 26 26 MET CB C 26 31.400 31.400 33.854 -2.454 18788 2396 1 4 . 1 1 26 26 MET H H 26 9.530 9.530 9.036 0.494 18788 2397 1 4 . 1 1 27 27 TYR N N 27 129.600 129.600 129.481 0.119 18788 2398 1 4 . 1 1 27 27 TYR HA H 27 5.050 5.050 4.891 0.159 18788 2399 1 4 . 1 1 27 27 TYR C C 27 173.900 173.900 174.904 -1.004 18788 2400 1 4 . 1 1 27 27 TYR CA C 27 57.000 57.000 55.931 1.069 18788 2401 1 4 . 1 1 27 27 TYR CB C 27 41.700 41.700 39.351 2.349 18788 2402 1 4 . 1 1 27 27 TYR H H 27 9.040 9.040 9.432 -0.392 18788 2403 1 4 . 1 1 28 28 LYS N N 28 127.600 127.600 127.578 0.022 18788 2404 1 4 . 1 1 28 28 LYS HA H 28 3.590 3.590 3.754 -0.164 18788 2405 1 4 . 1 1 28 28 LYS C C 28 176.900 176.900 176.095 0.805 18788 2406 1 4 . 1 1 28 28 LYS CA C 28 57.100 57.100 56.853 0.247 18788 2407 1 4 . 1 1 28 28 LYS CB C 28 29.700 29.700 30.332 -0.632 18788 2408 1 4 . 1 1 28 28 LYS H H 28 9.310 9.310 9.162 0.148 18788 2409 1 4 . 1 1 29 29 GLY N N 29 102.400 102.400 103.378 -0.978 18788 2410 1 4 . 1 1 29 29 GLY C C 29 173.600 173.600 173.667 -0.067 18788 2411 1 4 . 1 1 29 29 GLY CA C 29 45.600 45.600 45.120 0.480 18788 2412 1 4 . 1 1 29 29 GLY H H 29 8.450 8.450 8.316 0.134 18788 2413 1 4 . 1 1 30 30 GLN N N 30 119.300 119.300 119.971 -0.671 18788 2414 1 4 . 1 1 30 30 GLN HA H 30 5.030 5.030 4.883 0.147 18788 2415 1 4 . 1 1 30 30 GLN C C 30 173.200 173.200 173.491 -0.291 18788 2416 1 4 . 1 1 30 30 GLN CA C 30 52.200 52.200 51.983 0.217 18788 2417 1 4 . 1 1 30 30 GLN CB C 30 31.200 31.200 29.299 1.901 18788 2418 1 4 . 1 1 30 30 GLN H H 30 7.820 7.820 7.801 0.019 18788 2419 1 4 . 1 1 31 31 PRO HA H 31 4.880 4.880 4.861 0.019 18788 2420 1 4 . 1 1 31 31 PRO C C 31 177.400 177.400 176.225 1.175 18788 2421 1 4 . 1 1 31 31 PRO CA C 31 62.600 62.600 63.126 -0.526 18788 2422 1 4 . 1 1 31 31 PRO CB C 31 31.900 31.900 31.990 -0.090 18788 2423 1 4 . 1 1 32 32 MET N N 32 125.700 125.700 125.292 0.408 18788 2424 1 4 . 1 1 32 32 MET HA H 32 4.670 4.670 4.957 -0.287 18788 2425 1 4 . 1 1 32 32 MET C C 32 174.600 174.600 175.250 -0.650 18788 2426 1 4 . 1 1 32 32 MET CA C 32 55.800 55.800 54.828 0.972 18788 2427 1 4 . 1 1 32 32 MET CB C 32 37.200 37.200 38.163 -0.963 18788 2428 1 4 . 1 1 32 32 MET H H 32 9.570 9.570 9.319 0.251 18788 2429 1 4 . 1 1 33 33 THR N N 33 123.600 123.600 120.529 3.071 18788 2430 1 4 . 1 1 33 33 THR HA H 33 4.510 4.510 4.997 -0.487 18788 2431 1 4 . 1 1 33 33 THR C C 33 173.100 173.100 173.995 -0.895 18788 2432 1 4 . 1 1 33 33 THR CA C 33 64.300 64.300 63.263 1.037 18788 2433 1 4 . 1 1 33 33 THR CB C 33 68.800 68.800 69.573 -0.773 18788 2434 1 4 . 1 1 33 33 THR H H 33 8.990 8.990 8.699 0.291 18788 2435 1 4 . 1 1 34 34 PHE N N 34 126.100 126.100 125.693 0.407 18788 2436 1 4 . 1 1 34 34 PHE HA H 34 4.890 4.890 5.366 -0.476 18788 2437 1 4 . 1 1 34 34 PHE C C 34 173.400 173.400 173.975 -0.575 18788 2438 1 4 . 1 1 34 34 PHE CA C 34 57.300 57.300 56.516 0.784 18788 2439 1 4 . 1 1 34 34 PHE CB C 34 41.900 41.900 43.343 -1.443 18788 2440 1 4 . 1 1 34 34 PHE H H 34 9.610 9.610 9.548 0.062 18788 2441 1 4 . 1 1 35 35 ARG N N 35 124.200 124.200 122.115 2.085 18788 2442 1 4 . 1 1 35 35 ARG HA H 35 5.080 5.080 5.393 -0.313 18788 2443 1 4 . 1 1 35 35 ARG C C 35 174.600 174.600 175.529 -0.929 18788 2444 1 4 . 1 1 35 35 ARG CA C 35 52.100 52.100 53.979 -1.879 18788 2445 1 4 . 1 1 35 35 ARG CB C 35 33.600 33.600 34.306 -0.706 18788 2446 1 4 . 1 1 35 35 ARG H H 35 9.640 9.640 9.182 0.458 18788 2447 1 4 . 1 1 38 38 LEU HA H 38 4.330 4.330 4.345 -0.015 18788 2448 1 4 . 1 1 38 38 LEU C C 38 175.200 175.200 176.571 -1.371 18788 2449 1 4 . 1 1 38 38 LEU CA C 38 56.600 56.600 54.965 1.635 18788 2450 1 4 . 1 1 38 38 LEU CB C 38 40.100 40.100 41.092 -0.992 18788 2451 1 4 . 1 1 39 39 VAL N N 39 104.500 104.500 114.393 -9.893 18788 2452 1 4 . 1 1 39 39 VAL HA H 39 5.580 5.580 5.033 0.547 18788 2453 1 4 . 1 1 39 39 VAL C C 39 175.600 175.600 174.131 1.469 18788 2454 1 4 . 1 1 39 39 VAL CA C 39 57.800 57.800 58.947 -1.147 18788 2455 1 4 . 1 1 39 39 VAL CB C 39 36.400 36.400 35.845 0.555 18788 2456 1 4 . 1 1 39 39 VAL H H 39 6.920 6.920 7.654 -0.734 18788 2457 1 4 . 1 1 40 40 ASP N N 40 121.500 121.500 121.089 0.411 18788 2458 1 4 . 1 1 40 40 ASP HA H 40 5.260 5.260 5.304 -0.044 18788 2459 1 4 . 1 1 40 40 ASP C C 40 174.600 174.600 175.758 -1.158 18788 2460 1 4 . 1 1 40 40 ASP CA C 40 54.100 54.100 53.050 1.050 18788 2461 1 4 . 1 1 40 40 ASP CB C 40 44.100 44.100 43.740 0.360 18788 2462 1 4 . 1 1 40 40 ASP H H 40 8.880 8.880 9.059 -0.179 18788 2463 1 4 . 1 1 41 41 THR N N 41 118.700 118.700 116.648 2.052 18788 2464 1 4 . 1 1 41 41 THR HA H 41 5.020 5.020 5.079 -0.059 18788 2465 1 4 . 1 1 41 41 THR CA C 41 58.300 58.300 58.427 -0.127 18788 2466 1 4 . 1 1 41 41 THR CB C 41 68.900 68.900 69.509 -0.609 18788 2467 1 4 . 1 1 41 41 THR H H 41 8.520 8.520 9.410 -0.890 18788 2468 1 4 . 1 1 42 42 PRO HA H 42 4.440 4.440 4.607 -0.167 18788 2469 1 4 . 1 1 42 42 PRO CA C 42 62.200 62.200 62.468 -0.268 18788 2470 1 4 . 1 1 42 42 PRO CB C 42 32.300 32.300 30.167 2.133 18788 2471 1 4 . 1 1 50 50 GLY C C 50 179.800 179.800 173.401 6.399 18788 2472 1 4 . 1 1 51 51 VAL N N 51 119.200 119.200 121.161 -1.961 18788 2473 1 4 . 1 1 51 51 VAL HA H 51 4.160 4.160 4.354 -0.194 18788 2474 1 4 . 1 1 51 51 VAL C C 51 178.600 178.600 174.982 3.618 18788 2475 1 4 . 1 1 51 51 VAL CA C 51 63.500 63.500 60.962 2.538 18788 2476 1 4 . 1 1 51 51 VAL H H 51 7.820 7.820 7.711 0.109 18788 2477 1 4 . 1 1 54 54 TYR C C 54 176.300 176.300 173.715 2.585 18788 2478 1 4 . 1 1 55 55 GLY N N 55 108.900 108.900 109.168 -0.268 18788 2479 1 4 . 1 1 55 55 GLY C C 55 174.300 174.300 171.709 2.591 18788 2480 1 4 . 1 1 55 55 GLY CA C 55 48.400 48.400 44.410 3.990 18788 2481 1 4 . 1 1 55 55 GLY H H 55 8.810 8.810 8.815 -0.005 18788 2482 1 4 . 1 1 57 57 GLU HA H 57 4.010 4.010 3.773 0.236 18788 2483 1 4 . 1 1 57 57 GLU C C 57 179.500 179.500 177.354 2.146 18788 2484 1 4 . 1 1 57 57 GLU CA C 57 61.700 61.700 59.802 1.898 18788 2485 1 4 . 1 1 58 58 ALA N N 58 125.000 125.000 121.462 3.538 18788 2486 1 4 . 1 1 58 58 ALA HA H 58 4.170 4.170 4.111 0.059 18788 2487 1 4 . 1 1 58 58 ALA C C 58 178.700 178.700 179.447 -0.747 18788 2488 1 4 . 1 1 58 58 ALA CA C 58 55.800 55.800 55.675 0.125 18788 2489 1 4 . 1 1 58 58 ALA CB C 58 18.200 18.200 18.441 -0.240 18788 2490 1 4 . 1 1 58 58 ALA H H 58 8.940 8.940 8.288 0.652 18788 2491 1 4 . 1 1 59 59 SER N N 59 111.900 111.900 114.951 -3.051 18788 2492 1 4 . 1 1 59 59 SER HA H 59 3.740 3.740 4.250 -0.510 18788 2493 1 4 . 1 1 59 59 SER C C 59 177.100 177.100 176.501 0.599 18788 2494 1 4 . 1 1 59 59 SER CA C 59 62.000 62.000 61.035 0.965 18788 2495 1 4 . 1 1 59 59 SER CB C 59 62.900 62.900 62.371 0.529 18788 2496 1 4 . 1 1 59 59 SER H H 59 8.340 8.340 8.312 0.028 18788 2497 1 4 . 1 1 60 60 ALA N N 60 122.900 122.900 123.815 -0.915 18788 2498 1 4 . 1 1 60 60 ALA HA H 60 4.070 4.070 4.089 -0.019 18788 2499 1 4 . 1 1 60 60 ALA C C 60 179.100 179.100 179.553 -0.453 18788 2500 1 4 . 1 1 60 60 ALA CA C 60 55.100 55.100 54.802 0.298 18788 2501 1 4 . 1 1 60 60 ALA CB C 60 18.200 18.200 18.087 0.114 18788 2502 1 4 . 1 1 60 60 ALA H H 60 8.440 8.440 7.480 0.960 18788 2503 1 4 . 1 1 61 61 PHE N N 61 121.700 121.700 118.911 2.789 18788 2504 1 4 . 1 1 61 61 PHE HA H 61 4.050 4.050 4.228 -0.178 18788 2505 1 4 . 1 1 61 61 PHE C C 61 178.100 178.100 177.423 0.677 18788 2506 1 4 . 1 1 61 61 PHE CA C 61 61.800 61.800 60.585 1.215 18788 2507 1 4 . 1 1 61 61 PHE CB C 61 39.800 39.800 39.149 0.651 18788 2508 1 4 . 1 1 61 61 PHE H H 61 8.190 8.190 8.755 -0.565 18788 2509 1 4 . 1 1 62 62 THR N N 62 120.200 120.200 116.440 3.760 18788 2510 1 4 . 1 1 62 62 THR HA H 62 3.560 3.560 3.654 -0.094 18788 2511 1 4 . 1 1 62 62 THR C C 62 175.300 175.300 176.210 -0.910 18788 2512 1 4 . 1 1 62 62 THR CA C 62 67.600 67.600 67.002 0.598 18788 2513 1 4 . 1 1 62 62 THR CB C 62 68.400 68.400 68.686 -0.286 18788 2514 1 4 . 1 1 62 62 THR H H 62 8.540 8.540 8.401 0.139 18788 2515 1 4 . 1 1 63 63 LYS N N 63 120.000 120.000 121.559 -1.559 18788 2516 1 4 . 1 1 63 63 LYS HA H 63 3.560 3.560 3.850 -0.290 18788 2517 1 4 . 1 1 63 63 LYS C C 63 176.800 176.800 178.564 -1.764 18788 2518 1 4 . 1 1 63 63 LYS CA C 63 60.400 60.400 59.690 0.710 18788 2519 1 4 . 1 1 63 63 LYS CB C 63 33.300 33.300 32.513 0.787 18788 2520 1 4 . 1 1 63 63 LYS H H 63 7.910 7.910 8.149 -0.239 18788 2521 1 4 . 1 1 64 64 LYS N N 64 117.200 117.200 118.918 -1.718 18788 2522 1 4 . 1 1 64 64 LYS HA H 64 3.940 3.940 4.038 -0.098 18788 2523 1 4 . 1 1 64 64 LYS C C 64 178.700 178.700 179.142 -0.442 18788 2524 1 4 . 1 1 64 64 LYS CA C 64 59.200 59.200 59.158 0.042 18788 2525 1 4 . 1 1 64 64 LYS CB C 64 31.900 31.900 32.229 -0.329 18788 2526 1 4 . 1 1 64 64 LYS H H 64 8.000 8.000 8.097 -0.097 18788 2527 1 4 . 1 1 65 65 MET N N 65 116.200 116.200 116.072 0.128 18788 2528 1 4 . 1 1 65 65 MET HA H 65 3.890 3.890 4.235 -0.345 18788 2529 1 4 . 1 1 65 65 MET C C 65 179.200 179.200 178.391 0.809 18788 2530 1 4 . 1 1 65 65 MET CA C 65 59.800 59.800 58.592 1.208 18788 2531 1 4 . 1 1 65 65 MET CB C 65 32.200 32.200 32.753 -0.553 18788 2532 1 4 . 1 1 65 65 MET H H 65 7.680 7.680 7.500 0.180 18788 2533 1 4 . 1 1 66 66 VAL N N 66 107.700 107.700 114.456 -6.756 18788 2534 1 4 . 1 1 66 66 VAL HA H 66 4.150 4.150 3.788 0.362 18788 2535 1 4 . 1 1 66 66 VAL C C 66 177.500 177.500 177.342 0.158 18788 2536 1 4 . 1 1 66 66 VAL CA C 66 64.300 64.300 64.771 -0.471 18788 2537 1 4 . 1 1 66 66 VAL CB C 66 31.100 31.100 31.803 -0.703 18788 2538 1 4 . 1 1 66 66 VAL H H 66 8.220 8.220 7.692 0.528 18788 2539 1 4 . 1 1 67 67 GLU N N 67 121.000 121.000 117.801 3.199 18788 2540 1 4 . 1 1 67 67 GLU HA H 67 3.960 3.960 4.147 -0.187 18788 2541 1 4 . 1 1 67 67 GLU C C 67 178.000 178.000 177.497 0.503 18788 2542 1 4 . 1 1 67 67 GLU CA C 67 59.200 59.200 58.534 0.666 18788 2543 1 4 . 1 1 67 67 GLU CB C 67 29.100 29.100 29.886 -0.785 18788 2544 1 4 . 1 1 67 67 GLU H H 67 8.750 8.750 8.162 0.588 18788 2545 1 4 . 1 1 68 68 ASN N N 68 113.400 113.400 115.581 -2.181 18788 2546 1 4 . 1 1 68 68 ASN HA H 68 4.660 4.660 4.680 -0.020 18788 2547 1 4 . 1 1 68 68 ASN C C 68 174.600 174.600 174.817 -0.217 18788 2548 1 4 . 1 1 68 68 ASN CA C 68 53.400 53.400 53.903 -0.502 18788 2549 1 4 . 1 1 68 68 ASN CB C 68 38.900 38.900 39.295 -0.395 18788 2550 1 4 . 1 1 68 68 ASN H H 68 7.400 7.400 7.632 -0.232 18788 2551 1 4 . 1 1 69 69 ALA N N 69 121.100 121.100 122.151 -1.051 18788 2552 1 4 . 1 1 69 69 ALA HA H 69 4.490 4.490 4.237 0.253 18788 2553 1 4 . 1 1 69 69 ALA C C 69 177.800 177.800 177.125 0.675 18788 2554 1 4 . 1 1 69 69 ALA CA C 69 51.400 51.400 52.344 -0.944 18788 2555 1 4 . 1 1 69 69 ALA CB C 69 19.200 19.200 19.410 -0.210 18788 2556 1 4 . 1 1 69 69 ALA H H 69 6.680 6.680 7.231 -0.551 18788 2557 1 4 . 1 1 70 70 LYS N N 70 125.700 125.700 123.062 2.638 18788 2558 1 4 . 1 1 70 70 LYS HA H 70 4.370 4.370 4.282 0.088 18788 2559 1 4 . 1 1 70 70 LYS C C 70 177.800 177.800 177.344 0.456 18788 2560 1 4 . 1 1 70 70 LYS CA C 70 57.800 57.800 57.081 0.719 18788 2561 1 4 . 1 1 70 70 LYS CB C 70 32.000 32.000 33.204 -1.204 18788 2562 1 4 . 1 1 70 70 LYS H H 70 10.130 10.130 9.269 0.861 18788 2563 1 4 . 1 1 71 71 LYS N N 71 121.300 121.300 119.092 2.208 18788 2564 1 4 . 1 1 71 71 LYS HA H 71 4.660 4.660 4.602 0.058 18788 2565 1 4 . 1 1 71 71 LYS C C 71 174.600 174.600 175.073 -0.473 18788 2566 1 4 . 1 1 71 71 LYS CA C 71 55.500 55.500 55.454 0.046 18788 2567 1 4 . 1 1 71 71 LYS CB C 71 35.400 35.400 33.084 2.316 18788 2568 1 4 . 1 1 71 71 LYS H H 71 8.920 8.920 7.579 1.341 18788 2569 1 4 . 1 1 72 72 ILE N N 72 128.900 128.900 126.922 1.978 18788 2570 1 4 . 1 1 72 72 ILE HA H 72 5.240 5.240 4.745 0.495 18788 2571 1 4 . 1 1 72 72 ILE C C 72 175.300 175.300 175.247 0.053 18788 2572 1 4 . 1 1 72 72 ILE CA C 72 58.700 58.700 60.768 -2.068 18788 2573 1 4 . 1 1 72 72 ILE CB C 72 38.100 38.100 39.393 -1.293 18788 2574 1 4 . 1 1 72 72 ILE H H 72 8.960 8.960 8.126 0.834 18788 2575 1 4 . 1 1 73 73 GLU N N 73 123.100 123.100 125.961 -2.861 18788 2576 1 4 . 1 1 73 73 GLU HA H 73 5.240 5.240 5.516 -0.276 18788 2577 1 4 . 1 1 73 73 GLU C C 73 174.900 174.900 175.572 -0.672 18788 2578 1 4 . 1 1 73 73 GLU CA C 73 53.600 53.600 54.376 -0.776 18788 2579 1 4 . 1 1 73 73 GLU CB C 73 36.200 36.200 33.343 2.857 18788 2580 1 4 . 1 1 73 73 GLU H H 73 8.810 8.810 9.197 -0.387 18788 2581 1 4 . 1 1 74 74 VAL N N 74 117.300 117.300 119.128 -1.828 18788 2582 1 4 . 1 1 74 74 VAL HA H 74 4.550 4.550 4.724 -0.174 18788 2583 1 4 . 1 1 74 74 VAL C C 74 174.000 174.000 174.332 -0.332 18788 2584 1 4 . 1 1 74 74 VAL CA C 74 59.500 59.500 60.017 -0.517 18788 2585 1 4 . 1 1 74 74 VAL CB C 74 34.200 34.200 33.210 0.990 18788 2586 1 4 . 1 1 74 74 VAL H H 74 9.510 9.510 9.069 0.441 18788 2587 1 4 . 1 1 75 75 GLU N N 75 126.900 126.900 128.205 -1.305 18788 2588 1 4 . 1 1 75 75 GLU HA H 75 5.160 5.160 5.127 0.033 18788 2589 1 4 . 1 1 75 75 GLU C C 75 175.600 175.600 175.522 0.078 18788 2590 1 4 . 1 1 75 75 GLU CA C 75 54.500 54.500 54.004 0.496 18788 2591 1 4 . 1 1 75 75 GLU CB C 75 35.900 35.900 32.197 3.703 18788 2592 1 4 . 1 1 75 75 GLU H H 75 8.860 8.860 9.127 -0.267 18788 2593 1 4 . 1 1 76 76 PHE N N 76 126.400 126.400 127.257 -0.857 18788 2594 1 4 . 1 1 76 76 PHE HA H 76 4.740 4.740 4.918 -0.178 18788 2595 1 4 . 1 1 76 76 PHE C C 76 175.600 175.600 175.827 -0.227 18788 2596 1 4 . 1 1 76 76 PHE CA C 76 59.500 59.500 58.649 0.851 18788 2597 1 4 . 1 1 76 76 PHE CB C 76 39.700 39.700 39.824 -0.124 18788 2598 1 4 . 1 1 76 76 PHE H H 76 8.770 8.770 8.603 0.167 18788 2599 1 4 . 1 1 77 77 ASP N N 77 123.000 123.000 124.729 -1.729 18788 2600 1 4 . 1 1 77 77 ASP HA H 77 5.310 5.310 4.896 0.414 18788 2601 1 4 . 1 1 77 77 ASP C C 77 177.600 177.600 177.320 0.280 18788 2602 1 4 . 1 1 77 77 ASP CA C 77 51.800 51.800 54.261 -2.461 18788 2603 1 4 . 1 1 77 77 ASP CB C 77 42.900 42.900 42.820 0.080 18788 2604 1 4 . 1 1 77 77 ASP H H 77 9.310 9.310 8.947 0.363 18788 2605 1 4 . 1 1 78 78 LYS N N 78 119.100 119.100 120.012 -0.912 18788 2606 1 4 . 1 1 78 78 LYS HA H 78 4.240 4.240 4.511 -0.271 18788 2607 1 4 . 1 1 78 78 LYS C C 78 177.100 177.100 176.245 0.855 18788 2608 1 4 . 1 1 78 78 LYS CA C 78 57.700 57.700 56.560 1.140 18788 2609 1 4 . 1 1 78 78 LYS CB C 78 33.400 33.400 32.205 1.195 18788 2610 1 4 . 1 1 78 78 LYS H H 78 10.360 10.360 8.689 1.671 18788 2611 1 4 . 1 1 79 79 GLY N N 79 111.100 111.100 109.766 1.334 18788 2612 1 4 . 1 1 79 79 GLY C C 79 173.600 173.600 173.962 -0.362 18788 2613 1 4 . 1 1 79 79 GLY CA C 79 44.500 44.500 44.814 -0.314 18788 2614 1 4 . 1 1 79 79 GLY H H 79 8.680 8.680 7.745 0.935 18788 2615 1 4 . 1 1 80 80 GLN N N 80 124.800 124.800 120.915 3.885 18788 2616 1 4 . 1 1 80 80 GLN HA H 80 4.140 4.140 4.428 -0.288 18788 2617 1 4 . 1 1 80 80 GLN C C 80 176.900 176.900 175.455 1.445 18788 2618 1 4 . 1 1 80 80 GLN CA C 80 57.200 57.200 55.954 1.246 18788 2619 1 4 . 1 1 80 80 GLN CB C 80 29.200 29.200 29.864 -0.664 18788 2620 1 4 . 1 1 80 80 GLN H H 80 8.800 8.800 8.848 -0.048 18788 2621 1 4 . 1 1 81 81 ARG N N 81 120.700 120.700 122.371 -1.671 18788 2622 1 4 . 1 1 81 81 ARG HA H 81 4.620 4.620 4.380 0.240 18788 2623 1 4 . 1 1 81 81 ARG C C 81 176.200 176.200 175.218 0.982 18788 2624 1 4 . 1 1 81 81 ARG CA C 81 57.500 57.500 58.269 -0.769 18788 2625 1 4 . 1 1 81 81 ARG CB C 81 32.000 32.000 31.119 0.881 18788 2626 1 4 . 1 1 81 81 ARG H H 81 8.640 8.640 8.816 -0.176 18788 2627 1 4 . 1 1 82 82 THR N N 82 107.900 107.900 107.701 0.199 18788 2628 1 4 . 1 1 82 82 THR HA H 82 5.540 5.540 4.870 0.670 18788 2629 1 4 . 1 1 82 82 THR C C 82 174.600 174.600 173.736 0.864 18788 2630 1 4 . 1 1 82 82 THR CA C 82 58.400 58.400 59.876 -1.476 18788 2631 1 4 . 1 1 82 82 THR CB C 82 72.500 72.500 71.460 1.040 18788 2632 1 4 . 1 1 82 82 THR H H 82 7.300 7.300 7.410 -0.110 18788 2633 1 4 . 1 1 83 83 ASP N N 83 121.300 121.300 121.383 -0.083 18788 2634 1 4 . 1 1 83 83 ASP HA H 83 4.660 4.660 4.568 0.092 18788 2635 1 4 . 1 1 83 83 ASP C C 83 179.000 179.000 178.004 0.996 18788 2636 1 4 . 1 1 83 83 ASP CA C 83 51.700 51.700 53.538 -1.837 18788 2637 1 4 . 1 1 83 83 ASP CB C 83 42.100 42.100 42.756 -0.656 18788 2638 1 4 . 1 1 83 83 ASP H H 83 8.590 8.590 8.871 -0.281 18788 2639 1 4 . 1 1 85 85 TYR N N 85 119.300 119.300 117.072 2.228 18788 2640 1 4 . 1 1 85 85 TYR HA H 85 4.600 4.600 4.542 0.058 18788 2641 1 4 . 1 1 85 85 TYR C C 85 176.100 176.100 175.620 0.480 18788 2642 1 4 . 1 1 85 85 TYR CA C 85 57.100 57.100 57.512 -0.412 18788 2643 1 4 . 1 1 85 85 TYR CB C 85 37.900 37.900 38.197 -0.297 18788 2644 1 4 . 1 1 85 85 TYR H H 85 7.650 7.650 8.458 -0.808 18788 2645 1 4 . 1 1 86 86 GLY N N 86 108.500 108.500 108.021 0.479 18788 2646 1 4 . 1 1 86 86 GLY C C 86 174.400 174.400 173.547 0.853 18788 2647 1 4 . 1 1 86 86 GLY CA C 86 45.400 45.400 45.154 0.246 18788 2648 1 4 . 1 1 86 86 GLY H H 86 8.120 8.120 7.927 0.193 18788 2649 1 4 . 1 1 87 87 ARG N N 87 121.600 121.600 119.798 1.802 18788 2650 1 4 . 1 1 87 87 ARG HA H 87 4.430 4.430 4.717 -0.287 18788 2651 1 4 . 1 1 87 87 ARG C C 87 177.000 177.000 176.282 0.718 18788 2652 1 4 . 1 1 87 87 ARG CA C 87 55.300 55.300 54.645 0.655 18788 2653 1 4 . 1 1 87 87 ARG CB C 87 30.000 30.000 31.835 -1.835 18788 2654 1 4 . 1 1 87 87 ARG H H 87 8.600 8.600 7.420 1.180 18788 2655 1 4 . 1 1 88 88 GLY N N 88 108.000 108.000 110.306 -2.306 18788 2656 1 4 . 1 1 88 88 GLY C C 88 171.800 171.800 172.380 -0.580 18788 2657 1 4 . 1 1 88 88 GLY CA C 88 44.800 44.800 44.503 0.297 18788 2658 1 4 . 1 1 88 88 GLY H H 88 8.780 8.780 8.534 0.246 18788 2659 1 4 . 1 1 89 89 LEU N N 89 125.100 125.100 125.857 -0.757 18788 2660 1 4 . 1 1 89 89 LEU HA H 89 5.190 5.190 5.185 0.005 18788 2661 1 4 . 1 1 89 89 LEU C C 89 174.800 174.800 175.346 -0.546 18788 2662 1 4 . 1 1 89 89 LEU CA C 89 52.800 52.800 53.724 -0.924 18788 2663 1 4 . 1 1 89 89 LEU CB C 89 42.900 42.900 42.062 0.838 18788 2664 1 4 . 1 1 89 89 LEU H H 89 8.220 8.220 8.664 -0.444 18788 2665 1 4 . 1 1 90 90 ALA N N 90 119.900 119.900 124.841 -4.941 18788 2666 1 4 . 1 1 90 90 ALA HA H 90 4.790 4.790 4.607 0.183 18788 2667 1 4 . 1 1 90 90 ALA C C 90 177.000 177.000 175.182 1.818 18788 2668 1 4 . 1 1 90 90 ALA CA C 90 50.800 50.800 50.523 0.277 18788 2669 1 4 . 1 1 90 90 ALA CB C 90 23.700 23.700 22.349 1.351 18788 2670 1 4 . 1 1 90 90 ALA H H 90 7.400 7.400 7.746 -0.346 18788 2671 1 4 . 1 1 91 91 TYR N N 91 122.400 122.400 119.263 3.137 18788 2672 1 4 . 1 1 91 91 TYR HA H 91 4.650 4.650 4.752 -0.102 18788 2673 1 4 . 1 1 91 91 TYR C C 91 174.600 174.600 175.352 -0.752 18788 2674 1 4 . 1 1 91 91 TYR CA C 91 57.200 57.200 57.666 -0.466 18788 2675 1 4 . 1 1 91 91 TYR CB C 91 37.600 37.600 38.197 -0.598 18788 2676 1 4 . 1 1 91 91 TYR H H 91 9.000 9.000 8.692 0.308 18788 2677 1 4 . 1 1 92 92 ILE N N 92 122.200 122.200 124.214 -2.014 18788 2678 1 4 . 1 1 92 92 ILE HA H 92 4.950 4.950 4.596 0.354 18788 2679 1 4 . 1 1 92 92 ILE C C 92 173.700 173.700 175.236 -1.536 18788 2680 1 4 . 1 1 92 92 ILE CA C 92 58.700 58.700 60.690 -1.990 18788 2681 1 4 . 1 1 92 92 ILE CB C 92 38.900 38.900 39.286 -0.386 18788 2682 1 4 . 1 1 92 92 ILE H H 92 7.830 7.830 8.698 -0.868 18788 2683 1 4 . 1 1 93 93 TYR N N 93 126.200 126.200 126.454 -0.254 18788 2684 1 4 . 1 1 93 93 TYR HA H 93 5.080 5.080 4.952 0.128 18788 2685 1 4 . 1 1 93 93 TYR C C 93 173.900 173.900 174.384 -0.484 18788 2686 1 4 . 1 1 93 93 TYR CA C 93 56.500 56.500 56.072 0.428 18788 2687 1 4 . 1 1 93 93 TYR CB C 93 41.500 41.500 40.892 0.608 18788 2688 1 4 . 1 1 93 93 TYR H H 93 9.540 9.540 9.392 0.148 18788 2689 1 4 . 1 1 94 94 ALA N N 94 125.700 125.700 125.965 -0.265 18788 2690 1 4 . 1 1 94 94 ALA HA H 94 4.960 4.960 4.503 0.457 18788 2691 1 4 . 1 1 94 94 ALA C C 94 175.700 175.700 176.912 -1.212 18788 2692 1 4 . 1 1 94 94 ALA CA C 94 49.700 49.700 50.651 -0.951 18788 2693 1 4 . 1 1 94 94 ALA CB C 94 20.900 20.900 19.358 1.542 18788 2694 1 4 . 1 1 94 94 ALA H H 94 9.230 9.230 9.272 -0.042 18788 2695 1 4 . 1 1 95 95 ASP N N 95 127.600 127.600 125.294 2.306 18788 2696 1 4 . 1 1 95 95 ASP HA H 95 4.430 4.430 4.387 0.043 18788 2697 1 4 . 1 1 95 95 ASP C C 95 176.100 176.100 175.950 0.150 18788 2698 1 4 . 1 1 95 95 ASP CA C 95 56.500 56.500 55.731 0.769 18788 2699 1 4 . 1 1 95 95 ASP CB C 95 39.500 39.500 40.278 -0.778 18788 2700 1 4 . 1 1 95 95 ASP H H 95 9.720 9.720 8.952 0.768 18788 2701 1 4 . 1 1 96 96 GLY N N 96 103.000 103.000 102.372 0.628 18788 2702 1 4 . 1 1 96 96 GLY C C 96 173.800 173.800 174.105 -0.305 18788 2703 1 4 . 1 1 96 96 GLY CA C 96 45.400 45.400 45.204 0.196 18788 2704 1 4 . 1 1 96 96 GLY H H 96 9.420 9.420 8.404 1.016 18788 2705 1 4 . 1 1 97 97 LYS N N 97 121.400 121.400 122.980 -1.580 18788 2706 1 4 . 1 1 97 97 LYS HA H 97 4.670 4.670 4.528 0.142 18788 2707 1 4 . 1 1 97 97 LYS C C 97 176.000 176.000 175.575 0.425 18788 2708 1 4 . 1 1 97 97 LYS CA C 97 54.200 54.200 54.811 -0.611 18788 2709 1 4 . 1 1 97 97 LYS CB C 97 33.100 33.100 32.892 0.207 18788 2710 1 4 . 1 1 97 97 LYS H H 97 7.870 7.870 8.029 -0.159 18788 2711 1 4 . 1 1 98 98 MET N N 98 127.000 127.000 126.789 0.211 18788 2712 1 4 . 1 1 98 98 MET HA H 98 3.780 3.780 4.007 -0.227 18788 2713 1 4 . 1 1 98 98 MET C C 98 177.700 177.700 176.355 1.345 18788 2714 1 4 . 1 1 98 98 MET CA C 98 56.100 56.100 56.062 0.038 18788 2715 1 4 . 1 1 98 98 MET CB C 98 34.700 34.700 32.310 2.390 18788 2716 1 4 . 1 1 98 98 MET H H 98 9.280 9.280 9.103 0.177 18788 2717 1 4 . 1 1 99 99 VAL N N 99 103.700 103.700 128.253 -24.553 18788 2718 1 4 . 1 1 99 99 VAL HA H 99 3.730 3.730 3.496 0.234 18788 2719 1 4 . 1 1 99 99 VAL C C 99 177.200 177.200 177.873 -0.673 18788 2720 1 4 . 1 1 99 99 VAL CA C 99 66.100 66.100 65.835 0.265 18788 2721 1 4 . 1 1 99 99 VAL CB C 99 32.400 32.400 30.999 1.401 18788 2722 1 4 . 1 1 99 99 VAL H H 99 10.190 10.190 8.549 1.641 18788 2723 1 4 . 1 1 100 100 ASN N N 100 108.600 108.600 117.187 -8.587 18788 2724 1 4 . 1 1 100 100 ASN HA H 100 4.080 4.080 4.243 -0.163 18788 2725 1 4 . 1 1 100 100 ASN C C 100 174.200 174.200 177.213 -3.013 18788 2726 1 4 . 1 1 100 100 ASN CA C 100 57.200 57.200 56.952 0.248 18788 2727 1 4 . 1 1 100 100 ASN CB C 100 34.700 34.700 38.404 -3.704 18788 2728 1 4 . 1 1 100 100 ASN H H 100 9.670 9.670 7.607 2.063 18788 2729 1 4 . 1 1 101 101 GLU N N 101 112.800 112.800 120.715 -7.915 18788 2730 1 4 . 1 1 101 101 GLU HA H 101 3.660 3.660 4.055 -0.395 18788 2731 1 4 . 1 1 101 101 GLU C C 101 176.100 176.100 178.135 -2.035 18788 2732 1 4 . 1 1 101 101 GLU CA C 101 59.800 59.800 59.302 0.498 18788 2733 1 4 . 1 1 101 101 GLU CB C 101 30.200 30.200 29.614 0.586 18788 2734 1 4 . 1 1 101 101 GLU H H 101 6.150 6.150 7.368 -1.218 18788 2735 1 4 . 1 1 102 102 ALA N N 102 122.600 122.600 122.678 -0.078 18788 2736 1 4 . 1 1 102 102 ALA HA H 102 4.070 4.070 4.110 -0.040 18788 2737 1 4 . 1 1 102 102 ALA C C 102 179.800 179.800 180.171 -0.371 18788 2738 1 4 . 1 1 102 102 ALA CA C 102 55.300 55.300 55.299 0.001 18788 2739 1 4 . 1 1 102 102 ALA CB C 102 17.900 17.900 18.168 -0.268 18788 2740 1 4 . 1 1 102 102 ALA H H 102 7.810 7.810 8.162 -0.352 18788 2741 1 4 . 1 1 103 103 LEU N N 103 116.100 116.100 118.622 -2.522 18788 2742 1 4 . 1 1 103 103 LEU HA H 103 3.280 3.280 4.196 -0.916 18788 2743 1 4 . 1 1 103 103 LEU C C 103 178.900 178.900 179.117 -0.217 18788 2744 1 4 . 1 1 103 103 LEU CA C 103 57.800 57.800 58.248 -0.448 18788 2745 1 4 . 1 1 103 103 LEU CB C 103 45.500 45.500 41.729 3.771 18788 2746 1 4 . 1 1 103 103 LEU H H 103 8.070 8.070 8.377 -0.307 18788 2747 1 4 . 1 1 104 104 VAL N N 104 116.600 116.600 119.044 -2.444 18788 2748 1 4 . 1 1 104 104 VAL HA H 104 3.870 3.870 4.039 -0.169 18788 2749 1 4 . 1 1 104 104 VAL C C 104 180.300 180.300 178.885 1.415 18788 2750 1 4 . 1 1 104 104 VAL CA C 104 65.000 65.000 65.707 -0.707 18788 2751 1 4 . 1 1 104 104 VAL CB C 104 32.000 32.000 31.777 0.223 18788 2752 1 4 . 1 1 104 104 VAL H H 104 6.890 6.890 7.541 -0.651 18788 2753 1 4 . 1 1 105 105 ARG N N 105 122.400 122.400 118.466 3.934 18788 2754 1 4 . 1 1 105 105 ARG HA H 105 4.130 4.130 4.247 -0.117 18788 2755 1 4 . 1 1 105 105 ARG C C 105 176.000 176.000 178.487 -2.487 18788 2756 1 4 . 1 1 105 105 ARG CA C 105 57.000 57.000 58.977 -1.977 18788 2757 1 4 . 1 1 105 105 ARG CB C 105 28.300 28.300 30.342 -2.042 18788 2758 1 4 . 1 1 105 105 ARG H H 105 9.140 9.140 8.427 0.713 18788 2759 1 4 . 1 1 106 106 GLN N N 106 112.000 112.000 116.030 -4.030 18788 2760 1 4 . 1 1 106 106 GLN HA H 106 4.320 4.320 4.252 0.068 18788 2761 1 4 . 1 1 106 106 GLN C C 106 175.600 175.600 175.780 -0.180 18788 2762 1 4 . 1 1 106 106 GLN CA C 106 53.800 53.800 55.214 -1.414 18788 2763 1 4 . 1 1 106 106 GLN CB C 106 28.300 28.300 29.333 -1.033 18788 2764 1 4 . 1 1 106 106 GLN H H 106 7.120 7.120 8.162 -1.042 18788 2765 1 4 . 1 1 107 107 GLY N N 107 107.100 107.100 106.344 0.756 18788 2766 1 4 . 1 1 107 107 GLY C C 107 172.400 172.400 174.296 -1.896 18788 2767 1 4 . 1 1 107 107 GLY CA C 107 46.300 46.300 46.091 0.209 18788 2768 1 4 . 1 1 107 107 GLY H H 107 8.080 8.080 7.784 0.296 18788 2769 1 4 . 1 1 108 108 LEU N N 108 115.100 115.100 119.118 -4.018 18788 2770 1 4 . 1 1 108 108 LEU HA H 108 4.300 4.300 4.575 -0.275 18788 2771 1 4 . 1 1 108 108 LEU C C 108 172.500 172.500 175.159 -2.659 18788 2772 1 4 . 1 1 108 108 LEU CA C 108 53.300 53.300 54.744 -1.444 18788 2773 1 4 . 1 1 108 108 LEU CB C 108 43.500 43.500 43.069 0.431 18788 2774 1 4 . 1 1 108 108 LEU H H 108 7.810 7.810 8.759 -0.949 18788 2775 1 4 . 1 1 109 109 ALA N N 109 112.900 112.900 119.108 -6.208 18788 2776 1 4 . 1 1 109 109 ALA HA H 109 4.500 4.500 4.895 -0.395 18788 2777 1 4 . 1 1 109 109 ALA C C 109 174.800 174.800 175.935 -1.135 18788 2778 1 4 . 1 1 109 109 ALA CA C 109 49.900 49.900 50.323 -0.423 18788 2779 1 4 . 1 1 109 109 ALA CB C 109 24.900 24.900 21.885 3.015 18788 2780 1 4 . 1 1 109 109 ALA H H 109 6.950 6.950 7.547 -0.597 18788 2781 1 4 . 1 1 110 110 LYS N N 110 117.700 117.700 120.576 -2.876 18788 2782 1 4 . 1 1 110 110 LYS HA H 110 5.120 5.120 4.983 0.137 18788 2783 1 4 . 1 1 110 110 LYS C C 110 175.800 175.800 175.550 0.250 18788 2784 1 4 . 1 1 110 110 LYS CA C 110 53.800 53.800 54.551 -0.751 18788 2785 1 4 . 1 1 110 110 LYS CB C 110 35.300 35.300 36.217 -0.916 18788 2786 1 4 . 1 1 110 110 LYS H H 110 7.890 7.890 8.645 -0.755 18788 2787 1 4 . 1 1 111 111 VAL N N 111 123.100 123.100 121.137 1.963 18788 2788 1 4 . 1 1 111 111 VAL HA H 111 4.630 4.630 4.254 0.376 18788 2789 1 4 . 1 1 111 111 VAL C C 111 176.500 176.500 174.956 1.544 18788 2790 1 4 . 1 1 111 111 VAL CA C 111 63.100 63.100 62.234 0.866 18788 2791 1 4 . 1 1 111 111 VAL CB C 111 30.600 30.600 32.840 -2.240 18788 2792 1 4 . 1 1 111 111 VAL H H 111 9.180 9.180 9.075 0.105 18788 2793 1 4 . 1 1 112 112 ALA N N 112 131.500 131.500 130.390 1.110 18788 2794 1 4 . 1 1 112 112 ALA HA H 112 4.150 4.150 4.647 -0.497 18788 2795 1 4 . 1 1 112 112 ALA C C 112 173.300 173.300 176.004 -2.704 18788 2796 1 4 . 1 1 112 112 ALA CA C 112 51.300 51.300 50.441 0.859 18788 2797 1 4 . 1 1 112 112 ALA CB C 112 23.900 23.900 21.333 2.567 18788 2798 1 4 . 1 1 112 112 ALA H H 112 8.000 8.000 8.468 -0.468 18788 2799 1 4 . 1 1 114 114 VAL N N 114 123.100 123.100 122.920 0.180 18788 2800 1 4 . 1 1 114 114 VAL HA H 114 3.550 3.550 3.908 -0.358 18788 2801 1 4 . 1 1 114 114 VAL C C 114 174.600 174.600 175.622 -1.022 18788 2802 1 4 . 1 1 114 114 VAL CA C 114 62.000 62.000 62.542 -0.542 18788 2803 1 4 . 1 1 114 114 VAL CB C 114 30.300 30.300 32.081 -1.782 18788 2804 1 4 . 1 1 114 114 VAL H H 114 7.480 7.480 8.032 -0.552 18788 2805 1 4 . 1 1 115 115 TYR N N 115 130.100 130.100 128.738 1.362 18788 2806 1 4 . 1 1 115 115 TYR HA H 115 4.940 4.940 4.727 0.213 18788 2807 1 4 . 1 1 115 115 TYR C C 115 175.700 175.700 174.974 0.726 18788 2808 1 4 . 1 1 115 115 TYR CA C 115 54.900 54.900 56.293 -1.393 18788 2809 1 4 . 1 1 115 115 TYR CB C 115 38.200 38.200 38.055 0.145 18788 2810 1 4 . 1 1 115 115 TYR H H 115 8.970 8.970 8.814 0.156 18788 2811 1 4 . 1 1 116 116 LYS N N 116 125.400 125.400 125.449 -0.049 18788 2812 1 4 . 1 1 116 116 LYS HA H 116 3.940 3.940 4.408 -0.468 18788 2813 1 4 . 1 1 116 116 LYS C C 116 175.100 175.100 175.947 -0.847 18788 2814 1 4 . 1 1 116 116 LYS CA C 116 56.400 56.400 55.917 0.483 18788 2815 1 4 . 1 1 116 116 LYS CB C 116 31.600 31.600 32.137 -0.537 18788 2816 1 4 . 1 1 116 116 LYS H H 116 8.770 8.770 8.727 0.043 18788 2817 1 4 . 1 1 117 117 PRO HA H 117 4.620 4.620 4.597 0.023 18788 2818 1 4 . 1 1 117 117 PRO C C 117 175.600 175.600 176.353 -0.753 18788 2819 1 4 . 1 1 117 117 PRO CA C 117 64.100 64.100 63.207 0.893 18788 2820 1 4 . 1 1 117 117 PRO CB C 117 32.600 32.600 32.223 0.377 18788 2821 1 4 . 1 1 118 118 ASN N N 118 128.800 128.800 121.469 7.331 18788 2822 1 4 . 1 1 118 118 ASN HA H 118 5.310 5.310 4.830 0.480 18788 2823 1 4 . 1 1 118 118 ASN C C 118 174.500 174.500 174.282 0.218 18788 2824 1 4 . 1 1 118 118 ASN CA C 118 51.600 51.600 54.143 -2.543 18788 2825 1 4 . 1 1 118 118 ASN CB C 118 36.200 36.200 37.251 -1.051 18788 2826 1 4 . 1 1 118 118 ASN H H 118 8.710 8.710 8.067 0.643 18788 2827 1 4 . 1 1 119 119 ASN N N 119 117.600 117.600 117.386 0.214 18788 2828 1 4 . 1 1 119 119 ASN HA H 119 5.020 5.020 5.064 -0.044 18788 2829 1 4 . 1 1 119 119 ASN C C 119 177.500 177.500 176.214 1.286 18788 2830 1 4 . 1 1 119 119 ASN CA C 119 51.900 51.900 52.932 -1.032 18788 2831 1 4 . 1 1 119 119 ASN CB C 119 39.100 39.100 39.046 0.054 18788 2832 1 4 . 1 1 119 119 ASN H H 119 8.120 8.120 8.372 -0.252 18788 2833 1 4 . 1 1 120 120 THR N N 120 124.400 124.400 119.410 4.990 18788 2834 1 4 . 1 1 120 120 THR HA H 120 3.850 3.850 4.053 -0.203 18788 2835 1 4 . 1 1 120 120 THR C C 120 176.400 176.400 175.323 1.077 18788 2836 1 4 . 1 1 120 120 THR CA C 120 69.100 69.100 66.549 2.551 18788 2837 1 4 . 1 1 120 120 THR CB C 120 66.800 66.800 68.696 -1.896 18788 2838 1 4 . 1 1 120 120 THR H H 120 10.730 10.730 9.108 1.622 18788 2839 1 4 . 1 1 121 121 HIS N N 121 113.400 113.400 116.494 -3.094 18788 2840 1 4 . 1 1 121 121 HIS HA H 121 5.420 5.420 4.715 0.705 18788 2841 1 4 . 1 1 121 121 HIS C C 121 174.800 174.800 175.075 -0.275 18788 2842 1 4 . 1 1 121 121 HIS CA C 121 53.900 53.900 55.591 -1.691 18788 2843 1 4 . 1 1 121 121 HIS CB C 121 29.400 29.400 29.961 -0.561 18788 2844 1 4 . 1 1 121 121 HIS H H 121 6.860 6.860 7.951 -1.091 18788 2845 1 4 . 1 1 122 122 GLU N N 122 120.200 120.200 122.578 -2.378 18788 2846 1 4 . 1 1 122 122 GLU HA H 122 3.700 3.700 4.036 -0.336 18788 2847 1 4 . 1 1 122 122 GLU C C 122 177.200 177.200 178.095 -0.895 18788 2848 1 4 . 1 1 122 122 GLU CA C 122 61.200 61.200 60.927 0.273 18788 2849 1 4 . 1 1 122 122 GLU CB C 122 29.900 29.900 29.427 0.473 18788 2850 1 4 . 1 1 122 122 GLU H H 122 7.540 7.540 8.041 -0.501 18788 2851 1 4 . 1 1 123 123 GLN N N 123 117.200 117.200 118.235 -1.035 18788 2852 1 4 . 1 1 123 123 GLN HA H 123 3.970 3.970 4.045 -0.075 18788 2853 1 4 . 1 1 123 123 GLN C C 123 178.600 178.600 178.622 -0.022 18788 2854 1 4 . 1 1 123 123 GLN CA C 123 59.500 59.500 58.651 0.849 18788 2855 1 4 . 1 1 123 123 GLN CB C 123 27.100 27.100 28.172 -1.072 18788 2856 1 4 . 1 1 123 123 GLN H H 123 8.920 8.920 7.934 0.986 18788 2857 1 4 . 1 1 124 124 LEU N N 124 122.000 122.000 120.843 1.157 18788 2858 1 4 . 1 1 124 124 LEU HA H 124 4.090 4.090 4.124 -0.034 18788 2859 1 4 . 1 1 124 124 LEU C C 124 179.100 179.100 178.866 0.234 18788 2860 1 4 . 1 1 124 124 LEU CA C 124 58.600 58.600 57.662 0.938 18788 2861 1 4 . 1 1 124 124 LEU CB C 124 42.000 42.000 41.253 0.747 18788 2862 1 4 . 1 1 124 124 LEU H H 124 7.940 7.940 7.737 0.203 18788 2863 1 4 . 1 1 125 125 LEU N N 125 118.900 118.900 119.458 -0.558 18788 2864 1 4 . 1 1 125 125 LEU HA H 125 4.000 4.000 3.932 0.068 18788 2865 1 4 . 1 1 125 125 LEU C C 125 179.200 179.200 179.140 0.060 18788 2866 1 4 . 1 1 125 125 LEU CA C 125 58.900 58.900 58.046 0.854 18788 2867 1 4 . 1 1 125 125 LEU CB C 125 41.100 41.100 41.361 -0.261 18788 2868 1 4 . 1 1 125 125 LEU H H 125 8.030 8.030 8.221 -0.191 18788 2869 1 4 . 1 1 126 126 ARG N N 126 118.800 118.800 119.421 -0.621 18788 2870 1 4 . 1 1 126 126 ARG HA H 126 4.030 4.030 3.915 0.115 18788 2871 1 4 . 1 1 126 126 ARG C C 126 179.700 179.700 178.607 1.093 18788 2872 1 4 . 1 1 126 126 ARG CA C 126 60.600 60.600 60.184 0.416 18788 2873 1 4 . 1 1 126 126 ARG CB C 126 29.100 29.100 29.951 -0.851 18788 2874 1 4 . 1 1 126 126 ARG H H 126 9.010 9.010 8.587 0.423 18788 2875 1 4 . 1 1 127 127 LYS N N 127 122.700 122.700 120.090 2.610 18788 2876 1 4 . 1 1 127 127 LYS HA H 127 4.150 4.150 3.975 0.175 18788 2877 1 4 . 1 1 127 127 LYS C C 127 179.800 179.800 179.179 0.621 18788 2878 1 4 . 1 1 127 127 LYS CA C 127 60.100 60.100 59.490 0.609 18788 2879 1 4 . 1 1 127 127 LYS CB C 127 31.700 31.700 32.210 -0.510 18788 2880 1 4 . 1 1 127 127 LYS H H 127 8.160 8.160 7.686 0.474 18788 2881 1 4 . 1 1 128 128 SER N N 128 118.300 118.300 115.958 2.342 18788 2882 1 4 . 1 1 128 128 SER HA H 128 4.320 4.320 4.088 0.232 18788 2883 1 4 . 1 1 128 128 SER C C 128 175.500 175.500 176.393 -0.893 18788 2884 1 4 . 1 1 128 128 SER CA C 128 63.600 63.600 62.450 1.150 18788 2885 1 4 . 1 1 128 128 SER CB C 128 62.600 62.600 62.850 -0.250 18788 2886 1 4 . 1 1 128 128 SER H H 128 7.830 7.830 8.209 -0.379 18788 2887 1 4 . 1 1 129 129 GLU N N 129 125.200 125.200 122.810 2.390 18788 2888 1 4 . 1 1 129 129 GLU HA H 129 3.900 3.900 4.037 -0.137 18788 2889 1 4 . 1 1 129 129 GLU C C 129 177.400 177.400 178.139 -0.739 18788 2890 1 4 . 1 1 129 129 GLU CA C 129 59.200 59.200 59.117 0.083 18788 2891 1 4 . 1 1 129 129 GLU CB C 129 30.900 30.900 29.794 1.106 18788 2892 1 4 . 1 1 129 129 GLU H H 129 8.580 8.580 8.185 0.395 18788 2893 1 4 . 1 1 130 130 ALA N N 130 119.500 119.500 121.689 -2.189 18788 2894 1 4 . 1 1 130 130 ALA HA H 130 3.850 3.850 3.836 0.014 18788 2895 1 4 . 1 1 130 130 ALA C C 130 181.000 181.000 179.897 1.103 18788 2896 1 4 . 1 1 130 130 ALA CA C 130 55.000 55.000 55.053 -0.054 18788 2897 1 4 . 1 1 130 130 ALA CB C 130 17.600 17.600 17.884 -0.284 18788 2898 1 4 . 1 1 130 130 ALA H H 130 7.950 7.950 8.178 -0.228 18788 2899 1 4 . 1 1 131 131 GLN N N 131 118.600 118.600 118.698 -0.098 18788 2900 1 4 . 1 1 131 131 GLN HA H 131 3.990 3.990 4.011 -0.021 18788 2901 1 4 . 1 1 131 131 GLN C C 131 177.200 177.200 178.279 -1.079 18788 2902 1 4 . 1 1 131 131 GLN CA C 131 58.800 58.800 58.434 0.365 18788 2903 1 4 . 1 1 131 131 GLN CB C 131 28.000 28.000 28.535 -0.535 18788 2904 1 4 . 1 1 131 131 GLN H H 131 7.520 7.520 7.984 -0.464 18788 2905 1 4 . 1 1 132 132 ALA N N 132 123.100 123.100 121.978 1.122 18788 2906 1 4 . 1 1 132 132 ALA HA H 132 3.930 3.930 4.060 -0.130 18788 2907 1 4 . 1 1 132 132 ALA C C 132 179.500 179.500 179.524 -0.024 18788 2908 1 4 . 1 1 132 132 ALA CA C 132 55.600 55.600 55.033 0.567 18788 2909 1 4 . 1 1 132 132 ALA CB C 132 18.400 18.400 18.560 -0.160 18788 2910 1 4 . 1 1 132 132 ALA H H 132 8.000 8.000 7.849 0.151 18788 2911 1 4 . 1 1 133 133 LYS N N 133 117.200 117.200 118.214 -1.014 18788 2912 1 4 . 1 1 133 133 LYS HA H 133 3.450 3.450 3.563 -0.113 18788 2913 1 4 . 1 1 133 133 LYS C C 133 180.800 180.800 179.448 1.352 18788 2914 1 4 . 1 1 133 133 LYS CA C 133 59.500 59.500 59.315 0.185 18788 2915 1 4 . 1 1 133 133 LYS CB C 133 32.200 32.200 31.986 0.214 18788 2916 1 4 . 1 1 133 133 LYS H H 133 8.170 8.170 7.934 0.236 18788 2917 1 4 . 1 1 134 134 LYS N N 134 122.600 122.600 118.235 4.365 18788 2918 1 4 . 1 1 134 134 LYS HA H 134 3.960 3.960 4.015 -0.055 18788 2919 1 4 . 1 1 134 134 LYS C C 134 178.700 178.700 178.308 0.392 18788 2920 1 4 . 1 1 134 134 LYS CA C 134 59.200 59.200 58.648 0.552 18788 2921 1 4 . 1 1 134 134 LYS CB C 134 32.200 32.200 32.127 0.073 18788 2922 1 4 . 1 1 134 134 LYS H H 134 7.830 7.830 7.645 0.185 18788 2923 1 4 . 1 1 135 135 GLU N N 135 116.500 116.500 117.049 -0.549 18788 2924 1 4 . 1 1 135 135 GLU HA H 135 4.030 4.030 4.355 -0.325 18788 2925 1 4 . 1 1 135 135 GLU C C 135 174.500 174.500 175.413 -0.913 18788 2926 1 4 . 1 1 135 135 GLU CA C 135 56.700 56.700 55.740 0.960 18788 2927 1 4 . 1 1 135 135 GLU CB C 135 29.700 29.700 29.723 -0.023 18788 2928 1 4 . 1 1 135 135 GLU H H 135 7.680 7.680 7.449 0.231 18788 2929 1 4 . 1 1 136 136 LYS N N 136 116.800 116.800 117.162 -0.362 18788 2930 1 4 . 1 1 136 136 LYS HA H 136 3.540 3.540 3.977 -0.437 18788 2931 1 4 . 1 1 136 136 LYS C C 136 175.000 175.000 175.892 -0.892 18788 2932 1 4 . 1 1 136 136 LYS CA C 136 56.800 56.800 56.843 -0.043 18788 2933 1 4 . 1 1 136 136 LYS CB C 136 28.800 28.800 29.307 -0.507 18788 2934 1 4 . 1 1 136 136 LYS H H 136 7.820 7.820 7.763 0.057 18788 2935 1 4 . 1 1 137 137 LEU N N 137 117.000 117.000 118.022 -1.022 18788 2936 1 4 . 1 1 137 137 LEU HA H 137 4.190 4.190 4.200 -0.010 18788 2937 1 4 . 1 1 137 137 LEU C C 137 178.500 178.500 177.953 0.547 18788 2938 1 4 . 1 1 137 137 LEU CA C 137 55.000 55.000 54.860 0.140 18788 2939 1 4 . 1 1 137 137 LEU CB C 137 44.000 44.000 42.713 1.287 18788 2940 1 4 . 1 1 137 137 LEU H H 137 7.650 7.650 8.206 -0.556 18788 2941 1 4 . 1 1 138 138 ASN N N 138 118.700 118.700 118.819 -0.119 18788 2942 1 4 . 1 1 138 138 ASN HA H 138 3.730 3.730 4.269 -0.539 18788 2943 1 4 . 1 1 138 138 ASN C C 138 176.300 176.300 178.041 -1.741 18788 2944 1 4 . 1 1 138 138 ASN CA C 138 56.600 56.600 56.793 -0.193 18788 2945 1 4 . 1 1 138 138 ASN CB C 138 38.700 38.700 38.514 0.186 18788 2946 1 4 . 1 1 138 138 ASN H H 138 9.050 9.050 8.529 0.521 18788 2947 1 4 . 1 1 139 139 ILE N N 139 123.800 123.800 113.397 10.403 18788 2948 1 4 . 1 1 139 139 ILE HA H 139 3.380 3.380 4.210 -0.830 18788 2949 1 4 . 1 1 139 139 ILE C C 139 176.700 176.700 176.326 0.374 18788 2950 1 4 . 1 1 139 139 ILE CA C 139 65.700 65.700 62.824 2.876 18788 2951 1 4 . 1 1 139 139 ILE CB C 139 37.000 37.000 37.502 -0.502 18788 2952 1 4 . 1 1 139 139 ILE H H 139 8.350 8.350 7.949 0.401 18788 2953 1 4 . 1 1 140 140 TRP N N 140 119.700 119.700 119.606 0.094 18788 2954 1 4 . 1 1 140 140 TRP HA H 140 4.940 4.940 4.617 0.323 18788 2955 1 4 . 1 1 140 140 TRP C C 140 176.200 176.200 177.210 -1.010 18788 2956 1 4 . 1 1 140 140 TRP CA C 140 54.900 54.900 57.977 -3.078 18788 2957 1 4 . 1 1 140 140 TRP CB C 140 30.000 30.000 30.340 -0.340 18788 2958 1 4 . 1 1 140 140 TRP H H 140 7.850 7.850 7.860 -0.010 18788 2959 1 4 . 1 1 141 141 SER N N 141 116.100 116.100 114.222 1.878 18788 2960 1 4 . 1 1 141 141 SER HA H 141 4.220 4.220 4.512 -0.292 18788 2961 1 4 . 1 1 141 141 SER C C 141 175.200 175.200 175.248 -0.048 18788 2962 1 4 . 1 1 141 141 SER CA C 141 59.800 59.800 59.802 -0.002 18788 2963 1 4 . 1 1 141 141 SER CB C 141 64.600 64.600 64.249 0.351 18788 2964 1 4 . 1 1 141 141 SER H H 141 8.080 8.080 8.111 -0.031 18788 2965 1 4 . 1 1 142 142 GLU N N 142 121.200 121.200 123.319 -2.119 18788 2966 1 4 . 1 1 142 142 GLU HA H 142 4.430 4.430 4.456 -0.026 18788 2967 1 4 . 1 1 142 142 GLU C C 142 176.200 176.200 174.529 1.671 18788 2968 1 4 . 1 1 142 142 GLU CA C 142 56.100 56.100 55.939 0.161 18788 2969 1 4 . 1 1 142 142 GLU CB C 142 30.500 30.500 30.227 0.272 18788 2970 1 4 . 1 1 142 142 GLU H H 142 8.020 8.020 7.751 0.269 18788 2971 1 4 . 1 1 143 143 ASP N N 143 121.400 121.400 123.459 -2.059 18788 2972 1 4 . 1 1 143 143 ASP HA H 143 4.620 4.620 4.794 -0.174 18788 2973 1 4 . 1 1 143 143 ASP C C 143 176.100 176.100 175.452 0.648 18788 2974 1 4 . 1 1 143 143 ASP CA C 143 54.800 54.800 54.220 0.580 18788 2975 1 4 . 1 1 143 143 ASP CB C 143 41.200 41.200 43.123 -1.923 18788 2976 1 4 . 1 1 143 143 ASP H H 143 8.370 8.370 8.058 0.312 18788 2977 1 4 . 1 1 144 144 ASN N N 144 119.300 119.300 123.812 -4.512 18788 2978 1 4 . 1 1 144 144 ASN HA H 144 4.760 4.760 4.868 -0.108 18788 2979 1 4 . 1 1 144 144 ASN C C 144 175.200 175.200 175.588 -0.388 18788 2980 1 4 . 1 1 144 144 ASN CA C 144 53.200 53.200 52.215 0.986 18788 2981 1 4 . 1 1 144 144 ASN CB C 144 39.000 39.000 39.414 -0.414 18788 2982 1 4 . 1 1 144 144 ASN H H 144 8.400 8.400 8.877 -0.477 18788 2983 1 4 . 1 1 145 145 ALA N N 145 124.300 124.300 122.615 1.685 18788 2984 1 4 . 1 1 145 145 ALA HA H 145 4.310 4.310 3.939 0.371 18788 2985 1 4 . 1 1 145 145 ALA C C 145 177.700 177.700 176.245 1.455 18788 2986 1 4 . 1 1 145 145 ALA CA C 145 53.300 53.300 54.210 -0.910 18788 2987 1 4 . 1 1 145 145 ALA CB C 145 19.200 19.200 17.760 1.440 18788 2988 1 4 . 1 1 145 145 ALA H H 145 8.240 8.240 7.965 0.275 18788 2989 1 4 . 1 1 146 146 ASP N N 146 119.200 119.200 118.851 0.349 18788 2990 1 4 . 1 1 146 146 ASP HA H 146 4.670 4.670 4.808 -0.138 18788 2991 1 4 . 1 1 146 146 ASP C C 146 176.400 176.400 176.230 0.170 18788 2992 1 4 . 1 1 146 146 ASP CA C 146 54.400 54.400 53.702 0.698 18788 2993 1 4 . 1 1 146 146 ASP CB C 146 41.200 41.200 42.073 -0.873 18788 2994 1 4 . 1 1 146 146 ASP H H 146 8.340 8.340 8.119 0.221 18788 2995 1 4 . 1 1 147 147 SER N N 147 116.100 116.100 116.881 -0.781 18788 2996 1 4 . 1 1 147 147 SER HA H 147 4.450 4.450 4.514 -0.064 18788 2997 1 4 . 1 1 147 147 SER C C 147 175.200 175.200 174.648 0.552 18788 2998 1 4 . 1 1 147 147 SER CA C 147 58.900 58.900 58.211 0.689 18788 2999 1 4 . 1 1 147 147 SER CB C 147 64.100 64.100 63.434 0.666 18788 3000 1 4 . 1 1 147 147 SER H H 147 8.220 8.220 8.468 -0.248 18788 3001 1 4 . 1 1 148 148 GLY N N 148 111.200 111.200 109.219 1.981 18788 3002 1 4 . 1 1 148 148 GLY C C 148 173.400 173.400 172.777 0.623 18788 3003 1 4 . 1 1 148 148 GLY CA C 148 45.500 45.500 44.795 0.705 18788 3004 1 4 . 1 1 148 148 GLY H H 148 8.470 8.470 7.577 0.893 18788 3005 1 5 . 1 1 2 2 THR N N 2 120.300 120.300 116.853 3.447 18788 3006 1 5 . 1 1 2 2 THR HA H 2 4.430 4.430 4.483 -0.053 18788 3007 1 5 . 1 1 2 2 THR C C 2 174.400 174.400 173.860 0.540 18788 3008 1 5 . 1 1 2 2 THR CA C 2 62.100 62.100 63.377 -1.277 18788 3009 1 5 . 1 1 2 2 THR CB C 2 69.900 69.900 68.816 1.084 18788 3010 1 5 . 1 1 2 2 THR H H 2 8.320 8.320 8.135 0.185 18788 3011 1 5 . 1 1 3 3 SER N N 3 118.700 118.700 120.407 -1.707 18788 3012 1 5 . 1 1 3 3 SER HA H 3 5.000 5.000 4.778 0.222 18788 3013 1 5 . 1 1 3 3 SER CA C 3 58.400 58.400 57.051 1.349 18788 3014 1 5 . 1 1 3 3 SER CB C 3 68.800 68.800 64.693 4.107 18788 3015 1 5 . 1 1 3 3 SER H H 3 8.520 8.520 8.267 0.253 18788 3016 1 5 . 1 1 4 4 THR HA H 4 4.380 4.380 4.485 -0.105 18788 3017 1 5 . 1 1 4 4 THR C C 4 174.400 174.400 174.134 0.266 18788 3018 1 5 . 1 1 4 4 THR CA C 4 62.000 62.000 63.046 -1.046 18788 3019 1 5 . 1 1 4 4 THR CB C 4 69.700 69.700 68.845 0.855 18788 3020 1 5 . 1 1 5 5 LYS N N 5 124.000 124.000 124.460 -0.460 18788 3021 1 5 . 1 1 5 5 LYS HA H 5 4.370 4.370 4.630 -0.260 18788 3022 1 5 . 1 1 5 5 LYS C C 5 176.100 176.100 176.272 -0.172 18788 3023 1 5 . 1 1 5 5 LYS CA C 5 56.500 56.500 56.226 0.274 18788 3024 1 5 . 1 1 5 5 LYS CB C 5 32.900 32.900 34.391 -1.491 18788 3025 1 5 . 1 1 5 5 LYS H H 5 8.320 8.320 8.221 0.099 18788 3026 1 5 . 1 1 6 6 LYS N N 6 122.500 122.500 116.389 6.111 18788 3027 1 5 . 1 1 6 6 LYS HA H 6 4.400 4.400 3.898 0.502 18788 3028 1 5 . 1 1 6 6 LYS C C 6 176.200 176.200 175.568 0.632 18788 3029 1 5 . 1 1 6 6 LYS CA C 6 55.900 55.900 56.927 -1.027 18788 3030 1 5 . 1 1 6 6 LYS CB C 6 33.600 33.600 31.940 1.660 18788 3031 1 5 . 1 1 6 6 LYS H H 6 8.220 8.220 8.220 0.000 18788 3032 1 5 . 1 1 7 7 LEU N N 7 122.200 122.200 115.719 6.481 18788 3033 1 5 . 1 1 7 7 LEU HA H 7 4.550 4.550 4.060 0.490 18788 3034 1 5 . 1 1 7 7 LEU C C 7 176.600 176.600 175.823 0.777 18788 3035 1 5 . 1 1 7 7 LEU CA C 7 54.800 54.800 56.395 -1.595 18788 3036 1 5 . 1 1 7 7 LEU CB C 7 41.500 41.500 41.592 -0.092 18788 3037 1 5 . 1 1 7 7 LEU H H 7 8.340 8.340 8.290 0.050 18788 3038 1 5 . 1 1 8 8 HIS N N 8 119.200 119.200 115.891 3.309 18788 3039 1 5 . 1 1 8 8 HIS HA H 8 4.990 4.990 4.975 0.015 18788 3040 1 5 . 1 1 8 8 HIS C C 8 173.700 173.700 173.977 -0.277 18788 3041 1 5 . 1 1 8 8 HIS CA C 8 55.300 55.300 54.429 0.871 18788 3042 1 5 . 1 1 8 8 HIS CB C 8 32.200 32.200 32.535 -0.335 18788 3043 1 5 . 1 1 8 8 HIS H H 8 8.860 8.860 8.302 0.558 18788 3044 1 5 . 1 1 9 9 LYS N N 9 124.000 124.000 126.091 -2.091 18788 3045 1 5 . 1 1 9 9 LYS HA H 9 4.840 4.840 4.487 0.353 18788 3046 1 5 . 1 1 9 9 LYS C C 9 176.400 176.400 176.039 0.361 18788 3047 1 5 . 1 1 9 9 LYS CA C 9 55.700 55.700 56.096 -0.396 18788 3048 1 5 . 1 1 9 9 LYS CB C 9 34.700 34.700 33.417 1.283 18788 3049 1 5 . 1 1 9 9 LYS H H 9 8.480 8.480 8.744 -0.264 18788 3050 1 5 . 1 1 10 10 GLU N N 10 123.100 123.100 124.981 -1.881 18788 3051 1 5 . 1 1 10 10 GLU HA H 10 5.060 5.060 5.041 0.019 18788 3052 1 5 . 1 1 10 10 GLU C C 10 173.200 173.200 174.791 -1.591 18788 3053 1 5 . 1 1 10 10 GLU CA C 10 53.400 53.400 52.871 0.529 18788 3054 1 5 . 1 1 10 10 GLU CB C 10 33.000 33.000 31.321 1.679 18788 3055 1 5 . 1 1 10 10 GLU H H 10 9.390 9.390 9.096 0.294 18788 3056 1 5 . 1 1 11 11 PRO HA H 11 4.900 4.900 4.758 0.142 18788 3057 1 5 . 1 1 11 11 PRO C C 11 175.400 175.400 175.616 -0.216 18788 3058 1 5 . 1 1 11 11 PRO CA C 11 63.100 63.100 63.121 -0.021 18788 3059 1 5 . 1 1 11 11 PRO CB C 11 33.000 33.000 32.061 0.939 18788 3060 1 5 . 1 1 12 12 ALA N N 12 119.700 119.700 125.615 -5.915 18788 3061 1 5 . 1 1 12 12 ALA HA H 12 4.990 4.990 5.146 -0.156 18788 3062 1 5 . 1 1 12 12 ALA C C 12 175.400 175.400 175.675 -0.275 18788 3063 1 5 . 1 1 12 12 ALA CA C 12 51.600 51.600 50.613 0.987 18788 3064 1 5 . 1 1 12 12 ALA CB C 12 24.600 24.600 23.438 1.162 18788 3065 1 5 . 1 1 12 12 ALA H H 12 8.070 8.070 8.956 -0.886 18788 3066 1 5 . 1 1 13 13 THR N N 13 109.100 109.100 114.125 -5.025 18788 3067 1 5 . 1 1 13 13 THR HA H 13 4.700 4.700 4.699 0.001 18788 3068 1 5 . 1 1 13 13 THR C C 13 174.000 174.000 173.250 0.750 18788 3069 1 5 . 1 1 13 13 THR CA C 13 60.700 60.700 61.670 -0.970 18788 3070 1 5 . 1 1 13 13 THR CB C 13 71.600 71.600 72.304 -0.704 18788 3071 1 5 . 1 1 13 13 THR H H 13 8.090 8.090 8.062 0.028 18788 3072 1 5 . 1 1 14 14 LEU N N 14 125.200 125.200 127.090 -1.890 18788 3073 1 5 . 1 1 14 14 LEU HA H 14 4.140 4.140 4.251 -0.111 18788 3074 1 5 . 1 1 14 14 LEU C C 14 176.700 176.700 175.725 0.975 18788 3075 1 5 . 1 1 14 14 LEU CA C 14 56.800 56.800 55.474 1.326 18788 3076 1 5 . 1 1 14 14 LEU CB C 14 42.900 42.900 43.137 -0.237 18788 3077 1 5 . 1 1 14 14 LEU H H 14 9.150 9.150 8.694 0.456 18788 3078 1 5 . 1 1 15 15 ILE N N 15 125.200 125.200 124.256 0.944 18788 3079 1 5 . 1 1 15 15 ILE HA H 15 4.220 4.220 4.166 0.054 18788 3080 1 5 . 1 1 15 15 ILE C C 15 175.900 175.900 175.870 0.030 18788 3081 1 5 . 1 1 15 15 ILE CA C 15 64.300 64.300 62.290 2.010 18788 3082 1 5 . 1 1 15 15 ILE CB C 15 38.700 38.700 39.246 -0.546 18788 3083 1 5 . 1 1 15 15 ILE H H 15 8.460 8.460 8.711 -0.251 18788 3084 1 5 . 1 1 16 16 LYS N N 16 114.100 114.100 117.214 -3.114 18788 3085 1 5 . 1 1 16 16 LYS HA H 16 4.460 4.460 4.583 -0.123 18788 3086 1 5 . 1 1 16 16 LYS C C 16 174.000 174.000 174.405 -0.405 18788 3087 1 5 . 1 1 16 16 LYS CA C 16 56.600 56.600 55.024 1.576 18788 3088 1 5 . 1 1 16 16 LYS CB C 16 35.300 35.300 37.040 -1.740 18788 3089 1 5 . 1 1 16 16 LYS H H 16 8.050 8.050 8.113 -0.063 18788 3090 1 5 . 1 1 17 17 ALA N N 17 129.100 129.100 125.440 3.660 18788 3091 1 5 . 1 1 17 17 ALA HA H 17 4.480 4.480 4.811 -0.331 18788 3092 1 5 . 1 1 17 17 ALA C C 17 175.700 175.700 176.886 -1.186 18788 3093 1 5 . 1 1 17 17 ALA CA C 17 52.300 52.300 52.033 0.267 18788 3094 1 5 . 1 1 17 17 ALA CB C 17 18.200 18.200 19.489 -1.289 18788 3095 1 5 . 1 1 17 17 ALA H H 17 9.470 9.470 8.492 0.978 18788 3096 1 5 . 1 1 18 18 ILE N N 18 123.500 123.500 122.647 0.853 18788 3097 1 5 . 1 1 18 18 ILE HA H 18 4.110 4.110 4.279 -0.169 18788 3098 1 5 . 1 1 18 18 ILE C C 18 175.100 175.100 176.637 -1.537 18788 3099 1 5 . 1 1 18 18 ILE CA C 18 63.200 63.200 61.819 1.381 18788 3100 1 5 . 1 1 18 18 ILE CB C 18 37.800 37.800 38.685 -0.885 18788 3101 1 5 . 1 1 18 18 ILE H H 18 8.070 8.070 8.570 -0.500 18788 3102 1 5 . 1 1 19 19 ASP N N 19 120.500 120.500 116.548 3.952 18788 3103 1 5 . 1 1 19 19 ASP HA H 19 4.730 4.730 4.702 0.028 18788 3104 1 5 . 1 1 19 19 ASP C C 19 176.800 176.800 177.860 -1.060 18788 3105 1 5 . 1 1 19 19 ASP CA C 19 53.400 53.400 53.852 -0.452 18788 3106 1 5 . 1 1 19 19 ASP CB C 19 40.100 40.100 42.871 -2.771 18788 3107 1 5 . 1 1 19 19 ASP H H 19 8.290 8.290 8.190 0.100 18788 3108 1 5 . 1 1 20 20 GLY N N 20 103.500 103.500 107.863 -4.363 18788 3109 1 5 . 1 1 20 20 GLY C C 20 173.300 173.300 175.290 -1.990 18788 3110 1 5 . 1 1 20 20 GLY CA C 20 47.700 47.700 47.826 -0.126 18788 3111 1 5 . 1 1 20 20 GLY H H 20 8.460 8.460 8.755 -0.295 18788 3112 1 5 . 1 1 21 21 ASP N N 21 111.200 111.200 118.945 -7.745 18788 3113 1 5 . 1 1 21 21 ASP HA H 21 4.850 4.850 4.591 0.259 18788 3114 1 5 . 1 1 21 21 ASP C C 21 175.300 175.300 176.416 -1.116 18788 3115 1 5 . 1 1 21 21 ASP CA C 21 52.100 52.100 55.046 -2.946 18788 3116 1 5 . 1 1 21 21 ASP CB C 21 40.600 40.600 41.292 -0.692 18788 3117 1 5 . 1 1 21 21 ASP H H 21 7.640 7.640 7.965 -0.325 18788 3118 1 5 . 1 1 22 22 THR N N 22 113.200 113.200 116.520 -3.320 18788 3119 1 5 . 1 1 22 22 THR HA H 22 5.700 5.700 5.497 0.203 18788 3120 1 5 . 1 1 22 22 THR C C 22 174.000 174.000 173.662 0.338 18788 3121 1 5 . 1 1 22 22 THR CA C 22 61.000 61.000 62.568 -1.568 18788 3122 1 5 . 1 1 22 22 THR CB C 22 71.800 71.800 69.680 2.120 18788 3123 1 5 . 1 1 22 22 THR H H 22 7.610 7.610 7.814 -0.204 18788 3124 1 5 . 1 1 23 23 VAL N N 23 118.000 118.000 120.028 -2.028 18788 3125 1 5 . 1 1 23 23 VAL HA H 23 4.620 4.620 4.777 -0.157 18788 3126 1 5 . 1 1 23 23 VAL C C 23 172.100 172.100 173.290 -1.190 18788 3127 1 5 . 1 1 23 23 VAL CA C 23 60.100 60.100 59.391 0.709 18788 3128 1 5 . 1 1 23 23 VAL CB C 23 36.200 36.200 35.175 1.025 18788 3129 1 5 . 1 1 23 23 VAL H H 23 8.910 8.910 8.855 0.055 18788 3130 1 5 . 1 1 24 24 LYS N N 24 127.000 127.000 122.002 4.998 18788 3131 1 5 . 1 1 24 24 LYS HA H 24 5.440 5.440 5.371 0.069 18788 3132 1 5 . 1 1 24 24 LYS C C 24 175.200 175.200 174.873 0.327 18788 3133 1 5 . 1 1 24 24 LYS CA C 24 55.600 55.600 54.994 0.606 18788 3134 1 5 . 1 1 24 24 LYS CB C 24 34.400 34.400 35.413 -1.013 18788 3135 1 5 . 1 1 24 24 LYS H H 24 9.470 9.470 8.951 0.519 18788 3136 1 5 . 1 1 25 25 LEU N N 25 127.000 127.000 122.631 4.369 18788 3137 1 5 . 1 1 25 25 LEU HA H 25 5.210 5.210 4.949 0.261 18788 3138 1 5 . 1 1 25 25 LEU C C 25 174.500 174.500 174.716 -0.216 18788 3139 1 5 . 1 1 25 25 LEU CA C 25 53.100 53.100 53.168 -0.068 18788 3140 1 5 . 1 1 25 25 LEU CB C 25 45.500 45.500 45.184 0.316 18788 3141 1 5 . 1 1 25 25 LEU H H 25 9.380 9.380 8.959 0.421 18788 3142 1 5 . 1 1 26 26 MET N N 26 122.000 122.000 120.069 1.931 18788 3143 1 5 . 1 1 26 26 MET HA H 26 4.880 4.880 4.895 -0.015 18788 3144 1 5 . 1 1 26 26 MET C C 26 175.100 175.100 174.405 0.695 18788 3145 1 5 . 1 1 26 26 MET CA C 26 54.700 54.700 55.446 -0.746 18788 3146 1 5 . 1 1 26 26 MET CB C 26 31.400 31.400 33.450 -2.050 18788 3147 1 5 . 1 1 26 26 MET H H 26 9.530 9.530 8.907 0.623 18788 3148 1 5 . 1 1 27 27 TYR N N 27 129.600 129.600 129.564 0.036 18788 3149 1 5 . 1 1 27 27 TYR HA H 27 5.050 5.050 4.941 0.109 18788 3150 1 5 . 1 1 27 27 TYR C C 27 173.900 173.900 174.898 -0.998 18788 3151 1 5 . 1 1 27 27 TYR CA C 27 57.000 57.000 56.437 0.563 18788 3152 1 5 . 1 1 27 27 TYR CB C 27 41.700 41.700 40.181 1.519 18788 3153 1 5 . 1 1 27 27 TYR H H 27 9.040 9.040 9.472 -0.432 18788 3154 1 5 . 1 1 28 28 LYS N N 28 127.600 127.600 128.053 -0.453 18788 3155 1 5 . 1 1 28 28 LYS HA H 28 3.590 3.590 3.765 -0.175 18788 3156 1 5 . 1 1 28 28 LYS C C 28 176.900 176.900 175.991 0.909 18788 3157 1 5 . 1 1 28 28 LYS CA C 28 57.100 57.100 57.118 -0.018 18788 3158 1 5 . 1 1 28 28 LYS CB C 28 29.700 29.700 30.463 -0.763 18788 3159 1 5 . 1 1 28 28 LYS H H 28 9.310 9.310 9.241 0.069 18788 3160 1 5 . 1 1 29 29 GLY N N 29 102.400 102.400 102.634 -0.234 18788 3161 1 5 . 1 1 29 29 GLY C C 29 173.600 173.600 174.458 -0.858 18788 3162 1 5 . 1 1 29 29 GLY CA C 29 45.600 45.600 44.932 0.668 18788 3163 1 5 . 1 1 29 29 GLY H H 29 8.450 8.450 8.509 -0.059 18788 3164 1 5 . 1 1 30 30 GLN N N 30 119.300 119.300 120.543 -1.243 18788 3165 1 5 . 1 1 30 30 GLN HA H 30 5.030 5.030 4.907 0.123 18788 3166 1 5 . 1 1 30 30 GLN C C 30 173.200 173.200 173.494 -0.294 18788 3167 1 5 . 1 1 30 30 GLN CA C 30 52.200 52.200 52.197 0.003 18788 3168 1 5 . 1 1 30 30 GLN CB C 30 31.200 31.200 29.327 1.873 18788 3169 1 5 . 1 1 30 30 GLN H H 30 7.820 7.820 7.819 0.001 18788 3170 1 5 . 1 1 31 31 PRO HA H 31 4.880 4.880 4.993 -0.113 18788 3171 1 5 . 1 1 31 31 PRO C C 31 177.400 177.400 176.026 1.374 18788 3172 1 5 . 1 1 31 31 PRO CA C 31 62.600 62.600 62.801 -0.201 18788 3173 1 5 . 1 1 31 31 PRO CB C 31 31.900 31.900 32.161 -0.261 18788 3174 1 5 . 1 1 32 32 MET N N 32 125.700 125.700 125.663 0.037 18788 3175 1 5 . 1 1 32 32 MET HA H 32 4.670 4.670 4.874 -0.204 18788 3176 1 5 . 1 1 32 32 MET C C 32 174.600 174.600 174.484 0.116 18788 3177 1 5 . 1 1 32 32 MET CA C 32 55.800 55.800 54.877 0.923 18788 3178 1 5 . 1 1 32 32 MET CB C 32 37.200 37.200 37.085 0.115 18788 3179 1 5 . 1 1 32 32 MET H H 32 9.570 9.570 9.306 0.264 18788 3180 1 5 . 1 1 33 33 THR N N 33 123.600 123.600 121.463 2.137 18788 3181 1 5 . 1 1 33 33 THR HA H 33 4.510 4.510 5.086 -0.576 18788 3182 1 5 . 1 1 33 33 THR C C 33 173.100 173.100 174.157 -1.057 18788 3183 1 5 . 1 1 33 33 THR CA C 33 64.300 64.300 62.758 1.542 18788 3184 1 5 . 1 1 33 33 THR CB C 33 68.800 68.800 69.228 -0.428 18788 3185 1 5 . 1 1 33 33 THR H H 33 8.990 8.990 8.698 0.292 18788 3186 1 5 . 1 1 34 34 PHE N N 34 126.100 126.100 126.195 -0.095 18788 3187 1 5 . 1 1 34 34 PHE HA H 34 4.890 4.890 4.917 -0.027 18788 3188 1 5 . 1 1 34 34 PHE C C 34 173.400 173.400 173.866 -0.466 18788 3189 1 5 . 1 1 34 34 PHE CA C 34 57.300 57.300 57.076 0.224 18788 3190 1 5 . 1 1 34 34 PHE CB C 34 41.900 41.900 42.142 -0.242 18788 3191 1 5 . 1 1 34 34 PHE H H 34 9.610 9.610 9.552 0.058 18788 3192 1 5 . 1 1 35 35 ARG N N 35 124.200 124.200 123.716 0.484 18788 3193 1 5 . 1 1 35 35 ARG HA H 35 5.080 5.080 4.897 0.183 18788 3194 1 5 . 1 1 35 35 ARG C C 35 174.600 174.600 174.248 0.352 18788 3195 1 5 . 1 1 35 35 ARG CA C 35 52.100 52.100 55.237 -3.137 18788 3196 1 5 . 1 1 35 35 ARG CB C 35 33.600 33.600 34.089 -0.489 18788 3197 1 5 . 1 1 35 35 ARG H H 35 9.640 9.640 8.933 0.707 18788 3198 1 5 . 1 1 38 38 LEU HA H 38 4.330 4.330 4.520 -0.190 18788 3199 1 5 . 1 1 38 38 LEU C C 38 175.200 175.200 176.067 -0.867 18788 3200 1 5 . 1 1 38 38 LEU CA C 38 56.600 56.600 55.079 1.521 18788 3201 1 5 . 1 1 38 38 LEU CB C 38 40.100 40.100 44.197 -4.097 18788 3202 1 5 . 1 1 39 39 VAL N N 39 104.500 104.500 112.357 -7.857 18788 3203 1 5 . 1 1 39 39 VAL HA H 39 5.580 5.580 4.980 0.600 18788 3204 1 5 . 1 1 39 39 VAL C C 39 175.600 175.600 173.868 1.732 18788 3205 1 5 . 1 1 39 39 VAL CA C 39 57.800 57.800 59.093 -1.293 18788 3206 1 5 . 1 1 39 39 VAL CB C 39 36.400 36.400 35.655 0.745 18788 3207 1 5 . 1 1 39 39 VAL H H 39 6.920 6.920 7.443 -0.523 18788 3208 1 5 . 1 1 40 40 ASP N N 40 121.500 121.500 121.745 -0.245 18788 3209 1 5 . 1 1 40 40 ASP HA H 40 5.260 5.260 5.363 -0.103 18788 3210 1 5 . 1 1 40 40 ASP C C 40 174.600 174.600 176.144 -1.544 18788 3211 1 5 . 1 1 40 40 ASP CA C 40 54.100 54.100 53.107 0.993 18788 3212 1 5 . 1 1 40 40 ASP CB C 40 44.100 44.100 44.029 0.071 18788 3213 1 5 . 1 1 40 40 ASP H H 40 8.880 8.880 9.076 -0.196 18788 3214 1 5 . 1 1 41 41 THR N N 41 118.700 118.700 116.986 1.714 18788 3215 1 5 . 1 1 41 41 THR HA H 41 5.020 5.020 4.807 0.213 18788 3216 1 5 . 1 1 41 41 THR CA C 41 58.300 58.300 59.298 -0.998 18788 3217 1 5 . 1 1 41 41 THR CB C 41 68.900 68.900 68.524 0.376 18788 3218 1 5 . 1 1 41 41 THR H H 41 8.520 8.520 9.728 -1.208 18788 3219 1 5 . 1 1 42 42 PRO HA H 42 4.440 4.440 4.418 0.022 18788 3220 1 5 . 1 1 42 42 PRO CA C 42 62.200 62.200 62.430 -0.230 18788 3221 1 5 . 1 1 42 42 PRO CB C 42 32.300 32.300 30.061 2.239 18788 3222 1 5 . 1 1 50 50 GLY C C 50 179.800 179.800 172.799 7.001 18788 3223 1 5 . 1 1 51 51 VAL N N 51 119.200 119.200 123.892 -4.692 18788 3224 1 5 . 1 1 51 51 VAL HA H 51 4.160 4.160 3.932 0.228 18788 3225 1 5 . 1 1 51 51 VAL C C 51 178.600 178.600 176.930 1.670 18788 3226 1 5 . 1 1 51 51 VAL CA C 51 63.500 63.500 62.382 1.118 18788 3227 1 5 . 1 1 51 51 VAL H H 51 7.820 7.820 8.338 -0.518 18788 3228 1 5 . 1 1 54 54 TYR C C 54 176.300 176.300 174.481 1.819 18788 3229 1 5 . 1 1 55 55 GLY N N 55 108.900 108.900 114.542 -5.642 18788 3230 1 5 . 1 1 55 55 GLY C C 55 174.300 174.300 171.924 2.376 18788 3231 1 5 . 1 1 55 55 GLY CA C 55 48.400 48.400 45.340 3.060 18788 3232 1 5 . 1 1 55 55 GLY H H 55 8.810 8.810 7.790 1.020 18788 3233 1 5 . 1 1 57 57 GLU HA H 57 4.010 4.010 4.072 -0.062 18788 3234 1 5 . 1 1 57 57 GLU C C 57 179.500 179.500 177.254 2.246 18788 3235 1 5 . 1 1 57 57 GLU CA C 57 61.700 61.700 56.782 4.918 18788 3236 1 5 . 1 1 58 58 ALA N N 58 125.000 125.000 122.600 2.400 18788 3237 1 5 . 1 1 58 58 ALA HA H 58 4.170 4.170 4.122 0.048 18788 3238 1 5 . 1 1 58 58 ALA C C 58 178.700 178.700 179.430 -0.730 18788 3239 1 5 . 1 1 58 58 ALA CA C 58 55.800 55.800 54.951 0.849 18788 3240 1 5 . 1 1 58 58 ALA CB C 58 18.200 18.200 17.905 0.295 18788 3241 1 5 . 1 1 58 58 ALA H H 58 8.940 8.940 8.511 0.429 18788 3242 1 5 . 1 1 59 59 SER N N 59 111.900 111.900 114.879 -2.979 18788 3243 1 5 . 1 1 59 59 SER HA H 59 3.740 3.740 4.217 -0.477 18788 3244 1 5 . 1 1 59 59 SER C C 59 177.100 177.100 176.544 0.556 18788 3245 1 5 . 1 1 59 59 SER CA C 59 62.000 62.000 61.260 0.741 18788 3246 1 5 . 1 1 59 59 SER CB C 59 62.900 62.900 62.946 -0.046 18788 3247 1 5 . 1 1 59 59 SER H H 59 8.340 8.340 8.188 0.152 18788 3248 1 5 . 1 1 60 60 ALA N N 60 122.900 122.900 123.985 -1.085 18788 3249 1 5 . 1 1 60 60 ALA HA H 60 4.070 4.070 4.170 -0.100 18788 3250 1 5 . 1 1 60 60 ALA C C 60 179.100 179.100 178.849 0.251 18788 3251 1 5 . 1 1 60 60 ALA CA C 60 55.100 55.100 54.501 0.599 18788 3252 1 5 . 1 1 60 60 ALA CB C 60 18.200 18.200 18.462 -0.262 18788 3253 1 5 . 1 1 60 60 ALA H H 60 8.440 8.440 7.590 0.850 18788 3254 1 5 . 1 1 61 61 PHE N N 61 121.700 121.700 119.758 1.942 18788 3255 1 5 . 1 1 61 61 PHE HA H 61 4.050 4.050 4.261 -0.211 18788 3256 1 5 . 1 1 61 61 PHE C C 61 178.100 178.100 177.292 0.808 18788 3257 1 5 . 1 1 61 61 PHE CA C 61 61.800 61.800 60.759 1.041 18788 3258 1 5 . 1 1 61 61 PHE CB C 61 39.800 39.800 39.252 0.548 18788 3259 1 5 . 1 1 61 61 PHE H H 61 8.190 8.190 8.026 0.164 18788 3260 1 5 . 1 1 62 62 THR N N 62 120.200 120.200 116.054 4.146 18788 3261 1 5 . 1 1 62 62 THR HA H 62 3.560 3.560 3.772 -0.212 18788 3262 1 5 . 1 1 62 62 THR C C 62 175.300 175.300 176.522 -1.222 18788 3263 1 5 . 1 1 62 62 THR CA C 62 67.600 67.600 66.720 0.880 18788 3264 1 5 . 1 1 62 62 THR CB C 62 68.400 68.400 68.198 0.202 18788 3265 1 5 . 1 1 62 62 THR H H 62 8.540 8.540 8.671 -0.131 18788 3266 1 5 . 1 1 63 63 LYS N N 63 120.000 120.000 121.922 -1.922 18788 3267 1 5 . 1 1 63 63 LYS HA H 63 3.560 3.560 3.871 -0.311 18788 3268 1 5 . 1 1 63 63 LYS C C 63 176.800 176.800 178.655 -1.855 18788 3269 1 5 . 1 1 63 63 LYS CA C 63 60.400 60.400 59.769 0.631 18788 3270 1 5 . 1 1 63 63 LYS CB C 63 33.300 33.300 32.399 0.901 18788 3271 1 5 . 1 1 63 63 LYS H H 63 7.910 7.910 7.697 0.213 18788 3272 1 5 . 1 1 64 64 LYS N N 64 117.200 117.200 117.932 -0.732 18788 3273 1 5 . 1 1 64 64 LYS HA H 64 3.940 3.940 3.974 -0.034 18788 3274 1 5 . 1 1 64 64 LYS C C 64 178.700 178.700 179.285 -0.585 18788 3275 1 5 . 1 1 64 64 LYS CA C 64 59.200 59.200 59.415 -0.215 18788 3276 1 5 . 1 1 64 64 LYS CB C 64 31.900 31.900 32.451 -0.551 18788 3277 1 5 . 1 1 64 64 LYS H H 64 8.000 8.000 8.035 -0.035 18788 3278 1 5 . 1 1 65 65 MET N N 65 116.200 116.200 117.209 -1.009 18788 3279 1 5 . 1 1 65 65 MET HA H 65 3.890 3.890 4.116 -0.226 18788 3280 1 5 . 1 1 65 65 MET C C 65 179.200 179.200 178.389 0.811 18788 3281 1 5 . 1 1 65 65 MET CA C 65 59.800 59.800 58.687 1.113 18788 3282 1 5 . 1 1 65 65 MET CB C 65 32.200 32.200 32.520 -0.320 18788 3283 1 5 . 1 1 65 65 MET H H 65 7.680 7.680 7.487 0.193 18788 3284 1 5 . 1 1 66 66 VAL N N 66 107.700 107.700 113.833 -6.133 18788 3285 1 5 . 1 1 66 66 VAL HA H 66 4.150 4.150 3.793 0.357 18788 3286 1 5 . 1 1 66 66 VAL C C 66 177.500 177.500 177.499 0.001 18788 3287 1 5 . 1 1 66 66 VAL CA C 66 64.300 64.300 64.740 -0.440 18788 3288 1 5 . 1 1 66 66 VAL CB C 66 31.100 31.100 31.618 -0.518 18788 3289 1 5 . 1 1 66 66 VAL H H 66 8.220 8.220 7.620 0.600 18788 3290 1 5 . 1 1 67 67 GLU N N 67 121.000 121.000 118.403 2.597 18788 3291 1 5 . 1 1 67 67 GLU HA H 67 3.960 3.960 4.096 -0.136 18788 3292 1 5 . 1 1 67 67 GLU C C 67 178.000 178.000 177.691 0.309 18788 3293 1 5 . 1 1 67 67 GLU CA C 67 59.200 59.200 58.698 0.502 18788 3294 1 5 . 1 1 67 67 GLU CB C 67 29.100 29.100 29.850 -0.750 18788 3295 1 5 . 1 1 67 67 GLU H H 67 8.750 8.750 8.062 0.688 18788 3296 1 5 . 1 1 68 68 ASN N N 68 113.400 113.400 115.839 -2.439 18788 3297 1 5 . 1 1 68 68 ASN HA H 68 4.660 4.660 4.732 -0.072 18788 3298 1 5 . 1 1 68 68 ASN C C 68 174.600 174.600 174.473 0.127 18788 3299 1 5 . 1 1 68 68 ASN CA C 68 53.400 53.400 54.029 -0.629 18788 3300 1 5 . 1 1 68 68 ASN CB C 68 38.900 38.900 39.711 -0.811 18788 3301 1 5 . 1 1 68 68 ASN H H 68 7.400 7.400 7.695 -0.295 18788 3302 1 5 . 1 1 69 69 ALA N N 69 121.100 121.100 122.503 -1.403 18788 3303 1 5 . 1 1 69 69 ALA HA H 69 4.490 4.490 4.294 0.196 18788 3304 1 5 . 1 1 69 69 ALA C C 69 177.800 177.800 177.720 0.080 18788 3305 1 5 . 1 1 69 69 ALA CA C 69 51.400 51.400 52.735 -1.335 18788 3306 1 5 . 1 1 69 69 ALA CB C 69 19.200 19.200 18.768 0.432 18788 3307 1 5 . 1 1 69 69 ALA H H 69 6.680 6.680 7.288 -0.608 18788 3308 1 5 . 1 1 70 70 LYS N N 70 125.700 125.700 124.433 1.267 18788 3309 1 5 . 1 1 70 70 LYS HA H 70 4.370 4.370 4.149 0.221 18788 3310 1 5 . 1 1 70 70 LYS C C 70 177.800 177.800 176.990 0.810 18788 3311 1 5 . 1 1 70 70 LYS CA C 70 57.800 57.800 57.363 0.437 18788 3312 1 5 . 1 1 70 70 LYS CB C 70 32.000 32.000 32.990 -0.990 18788 3313 1 5 . 1 1 70 70 LYS H H 70 10.130 10.130 9.057 1.073 18788 3314 1 5 . 1 1 71 71 LYS N N 71 121.300 121.300 118.381 2.919 18788 3315 1 5 . 1 1 71 71 LYS HA H 71 4.660 4.660 4.541 0.119 18788 3316 1 5 . 1 1 71 71 LYS C C 71 174.600 174.600 174.478 0.122 18788 3317 1 5 . 1 1 71 71 LYS CA C 71 55.500 55.500 55.503 -0.003 18788 3318 1 5 . 1 1 71 71 LYS CB C 71 35.400 35.400 33.671 1.729 18788 3319 1 5 . 1 1 71 71 LYS H H 71 8.920 8.920 7.591 1.329 18788 3320 1 5 . 1 1 72 72 ILE N N 72 128.900 128.900 127.263 1.637 18788 3321 1 5 . 1 1 72 72 ILE HA H 72 5.240 5.240 5.107 0.133 18788 3322 1 5 . 1 1 72 72 ILE C C 72 175.300 175.300 175.094 0.206 18788 3323 1 5 . 1 1 72 72 ILE CA C 72 58.700 58.700 60.318 -1.618 18788 3324 1 5 . 1 1 72 72 ILE CB C 72 38.100 38.100 39.226 -1.126 18788 3325 1 5 . 1 1 72 72 ILE H H 72 8.960 8.960 8.851 0.109 18788 3326 1 5 . 1 1 73 73 GLU N N 73 123.100 123.100 127.084 -3.984 18788 3327 1 5 . 1 1 73 73 GLU HA H 73 5.240 5.240 5.306 -0.066 18788 3328 1 5 . 1 1 73 73 GLU C C 73 174.900 174.900 175.700 -0.800 18788 3329 1 5 . 1 1 73 73 GLU CA C 73 53.600 53.600 54.250 -0.650 18788 3330 1 5 . 1 1 73 73 GLU CB C 73 36.200 36.200 33.411 2.789 18788 3331 1 5 . 1 1 73 73 GLU H H 73 8.810 8.810 9.049 -0.239 18788 3332 1 5 . 1 1 74 74 VAL N N 74 117.300 117.300 118.159 -0.859 18788 3333 1 5 . 1 1 74 74 VAL HA H 74 4.550 4.550 4.954 -0.404 18788 3334 1 5 . 1 1 74 74 VAL C C 74 174.000 174.000 174.582 -0.582 18788 3335 1 5 . 1 1 74 74 VAL CA C 74 59.500 59.500 59.582 -0.082 18788 3336 1 5 . 1 1 74 74 VAL CB C 74 34.200 34.200 33.075 1.125 18788 3337 1 5 . 1 1 74 74 VAL H H 74 9.510 9.510 9.108 0.402 18788 3338 1 5 . 1 1 75 75 GLU N N 75 126.900 126.900 128.382 -1.482 18788 3339 1 5 . 1 1 75 75 GLU HA H 75 5.160 5.160 5.122 0.038 18788 3340 1 5 . 1 1 75 75 GLU C C 75 175.600 175.600 175.441 0.159 18788 3341 1 5 . 1 1 75 75 GLU CA C 75 54.500 54.500 53.938 0.562 18788 3342 1 5 . 1 1 75 75 GLU CB C 75 35.900 35.900 32.319 3.581 18788 3343 1 5 . 1 1 75 75 GLU H H 75 8.860 8.860 9.273 -0.413 18788 3344 1 5 . 1 1 76 76 PHE N N 76 126.400 126.400 127.643 -1.243 18788 3345 1 5 . 1 1 76 76 PHE HA H 76 4.740 4.740 5.047 -0.307 18788 3346 1 5 . 1 1 76 76 PHE C C 76 175.600 175.600 175.964 -0.364 18788 3347 1 5 . 1 1 76 76 PHE CA C 76 59.500 59.500 58.844 0.656 18788 3348 1 5 . 1 1 76 76 PHE CB C 76 39.700 39.700 40.045 -0.345 18788 3349 1 5 . 1 1 76 76 PHE H H 76 8.770 8.770 8.763 0.007 18788 3350 1 5 . 1 1 77 77 ASP N N 77 123.000 123.000 123.784 -0.784 18788 3351 1 5 . 1 1 77 77 ASP HA H 77 5.310 5.310 4.912 0.398 18788 3352 1 5 . 1 1 77 77 ASP C C 77 177.600 177.600 177.110 0.490 18788 3353 1 5 . 1 1 77 77 ASP CA C 77 51.800 51.800 54.185 -2.385 18788 3354 1 5 . 1 1 77 77 ASP CB C 77 42.900 42.900 43.876 -0.976 18788 3355 1 5 . 1 1 77 77 ASP H H 77 9.310 9.310 8.434 0.876 18788 3356 1 5 . 1 1 78 78 LYS N N 78 119.100 119.100 119.857 -0.757 18788 3357 1 5 . 1 1 78 78 LYS HA H 78 4.240 4.240 4.379 -0.139 18788 3358 1 5 . 1 1 78 78 LYS C C 78 177.100 177.100 177.405 -0.305 18788 3359 1 5 . 1 1 78 78 LYS CA C 78 57.700 57.700 57.485 0.215 18788 3360 1 5 . 1 1 78 78 LYS CB C 78 33.400 33.400 32.093 1.306 18788 3361 1 5 . 1 1 78 78 LYS H H 78 10.360 10.360 8.676 1.684 18788 3362 1 5 . 1 1 79 79 GLY N N 79 111.100 111.100 108.471 2.629 18788 3363 1 5 . 1 1 79 79 GLY C C 79 173.600 173.600 174.123 -0.523 18788 3364 1 5 . 1 1 79 79 GLY CA C 79 44.500 44.500 44.690 -0.190 18788 3365 1 5 . 1 1 79 79 GLY H H 79 8.680 8.680 7.628 1.052 18788 3366 1 5 . 1 1 80 80 GLN N N 80 124.800 124.800 121.014 3.786 18788 3367 1 5 . 1 1 80 80 GLN HA H 80 4.140 4.140 4.386 -0.246 18788 3368 1 5 . 1 1 80 80 GLN C C 80 176.900 176.900 175.987 0.913 18788 3369 1 5 . 1 1 80 80 GLN CA C 80 57.200 57.200 56.199 1.001 18788 3370 1 5 . 1 1 80 80 GLN CB C 80 29.200 29.200 29.986 -0.786 18788 3371 1 5 . 1 1 80 80 GLN H H 80 8.800 8.800 8.379 0.421 18788 3372 1 5 . 1 1 81 81 ARG N N 81 120.700 120.700 120.928 -0.228 18788 3373 1 5 . 1 1 81 81 ARG HA H 81 4.620 4.620 4.377 0.243 18788 3374 1 5 . 1 1 81 81 ARG C C 81 176.200 176.200 176.046 0.154 18788 3375 1 5 . 1 1 81 81 ARG CA C 81 57.500 57.500 58.070 -0.570 18788 3376 1 5 . 1 1 81 81 ARG CB C 81 32.000 32.000 31.010 0.990 18788 3377 1 5 . 1 1 81 81 ARG H H 81 8.640 8.640 8.732 -0.092 18788 3378 1 5 . 1 1 82 82 THR N N 82 107.900 107.900 106.087 1.813 18788 3379 1 5 . 1 1 82 82 THR HA H 82 5.540 5.540 4.876 0.664 18788 3380 1 5 . 1 1 82 82 THR C C 82 174.600 174.600 173.727 0.873 18788 3381 1 5 . 1 1 82 82 THR CA C 82 58.400 58.400 59.688 -1.288 18788 3382 1 5 . 1 1 82 82 THR CB C 82 72.500 72.500 71.544 0.956 18788 3383 1 5 . 1 1 82 82 THR H H 82 7.300 7.300 7.456 -0.156 18788 3384 1 5 . 1 1 83 83 ASP N N 83 121.300 121.300 122.072 -0.772 18788 3385 1 5 . 1 1 83 83 ASP HA H 83 4.660 4.660 4.597 0.063 18788 3386 1 5 . 1 1 83 83 ASP C C 83 179.000 179.000 178.140 0.860 18788 3387 1 5 . 1 1 83 83 ASP CA C 83 51.700 51.700 53.425 -1.725 18788 3388 1 5 . 1 1 83 83 ASP CB C 83 42.100 42.100 42.687 -0.587 18788 3389 1 5 . 1 1 83 83 ASP H H 83 8.590 8.590 8.900 -0.310 18788 3390 1 5 . 1 1 85 85 TYR N N 85 119.300 119.300 117.711 1.589 18788 3391 1 5 . 1 1 85 85 TYR HA H 85 4.600 4.600 4.561 0.039 18788 3392 1 5 . 1 1 85 85 TYR C C 85 176.100 176.100 176.063 0.037 18788 3393 1 5 . 1 1 85 85 TYR CA C 85 57.100 57.100 56.851 0.249 18788 3394 1 5 . 1 1 85 85 TYR CB C 85 37.900 37.900 37.717 0.183 18788 3395 1 5 . 1 1 85 85 TYR H H 85 7.650 7.650 8.267 -0.617 18788 3396 1 5 . 1 1 86 86 GLY N N 86 108.500 108.500 107.729 0.771 18788 3397 1 5 . 1 1 86 86 GLY C C 86 174.400 174.400 173.822 0.578 18788 3398 1 5 . 1 1 86 86 GLY CA C 86 45.400 45.400 45.232 0.168 18788 3399 1 5 . 1 1 86 86 GLY H H 86 8.120 8.120 8.044 0.076 18788 3400 1 5 . 1 1 87 87 ARG N N 87 121.600 121.600 120.901 0.699 18788 3401 1 5 . 1 1 87 87 ARG HA H 87 4.430 4.430 4.720 -0.290 18788 3402 1 5 . 1 1 87 87 ARG C C 87 177.000 177.000 176.849 0.151 18788 3403 1 5 . 1 1 87 87 ARG CA C 87 55.300 55.300 54.617 0.683 18788 3404 1 5 . 1 1 87 87 ARG CB C 87 30.000 30.000 30.508 -0.508 18788 3405 1 5 . 1 1 87 87 ARG H H 87 8.600 8.600 7.607 0.993 18788 3406 1 5 . 1 1 88 88 GLY N N 88 108.000 108.000 111.476 -3.476 18788 3407 1 5 . 1 1 88 88 GLY C C 88 171.800 171.800 173.031 -1.231 18788 3408 1 5 . 1 1 88 88 GLY CA C 88 44.800 44.800 44.725 0.075 18788 3409 1 5 . 1 1 88 88 GLY H H 88 8.780 8.780 8.540 0.240 18788 3410 1 5 . 1 1 89 89 LEU N N 89 125.100 125.100 127.358 -2.258 18788 3411 1 5 . 1 1 89 89 LEU HA H 89 5.190 5.190 4.547 0.643 18788 3412 1 5 . 1 1 89 89 LEU C C 89 174.800 174.800 175.393 -0.593 18788 3413 1 5 . 1 1 89 89 LEU CA C 89 52.800 52.800 53.998 -1.198 18788 3414 1 5 . 1 1 89 89 LEU CB C 89 42.900 42.900 41.184 1.716 18788 3415 1 5 . 1 1 89 89 LEU H H 89 8.220 8.220 8.605 -0.385 18788 3416 1 5 . 1 1 90 90 ALA N N 90 119.900 119.900 124.148 -4.248 18788 3417 1 5 . 1 1 90 90 ALA HA H 90 4.790 4.790 4.720 0.070 18788 3418 1 5 . 1 1 90 90 ALA C C 90 177.000 177.000 175.781 1.219 18788 3419 1 5 . 1 1 90 90 ALA CA C 90 50.800 50.800 50.388 0.412 18788 3420 1 5 . 1 1 90 90 ALA CB C 90 23.700 23.700 22.073 1.627 18788 3421 1 5 . 1 1 90 90 ALA H H 90 7.400 7.400 7.558 -0.158 18788 3422 1 5 . 1 1 91 91 TYR N N 91 122.400 122.400 119.147 3.253 18788 3423 1 5 . 1 1 91 91 TYR HA H 91 4.650 4.650 4.568 0.082 18788 3424 1 5 . 1 1 91 91 TYR C C 91 174.600 174.600 175.372 -0.772 18788 3425 1 5 . 1 1 91 91 TYR CA C 91 57.200 57.200 58.239 -1.039 18788 3426 1 5 . 1 1 91 91 TYR CB C 91 37.600 37.600 39.797 -2.197 18788 3427 1 5 . 1 1 91 91 TYR H H 91 9.000 9.000 8.954 0.046 18788 3428 1 5 . 1 1 92 92 ILE N N 92 122.200 122.200 122.580 -0.380 18788 3429 1 5 . 1 1 92 92 ILE HA H 92 4.950 4.950 4.930 0.020 18788 3430 1 5 . 1 1 92 92 ILE C C 92 173.700 173.700 175.035 -1.335 18788 3431 1 5 . 1 1 92 92 ILE CA C 92 58.700 58.700 59.925 -1.225 18788 3432 1 5 . 1 1 92 92 ILE CB C 92 38.900 38.900 40.175 -1.275 18788 3433 1 5 . 1 1 92 92 ILE H H 92 7.830 7.830 9.188 -1.358 18788 3434 1 5 . 1 1 93 93 TYR N N 93 126.200 126.200 126.238 -0.038 18788 3435 1 5 . 1 1 93 93 TYR HA H 93 5.080 5.080 5.357 -0.277 18788 3436 1 5 . 1 1 93 93 TYR C C 93 173.900 173.900 174.624 -0.724 18788 3437 1 5 . 1 1 93 93 TYR CA C 93 56.500 56.500 55.882 0.618 18788 3438 1 5 . 1 1 93 93 TYR CB C 93 41.500 41.500 40.752 0.748 18788 3439 1 5 . 1 1 93 93 TYR H H 93 9.540 9.540 9.326 0.214 18788 3440 1 5 . 1 1 94 94 ALA N N 94 125.700 125.700 126.564 -0.864 18788 3441 1 5 . 1 1 94 94 ALA HA H 94 4.960 4.960 4.536 0.424 18788 3442 1 5 . 1 1 94 94 ALA C C 94 175.700 175.700 177.046 -1.346 18788 3443 1 5 . 1 1 94 94 ALA CA C 94 49.700 49.700 50.563 -0.863 18788 3444 1 5 . 1 1 94 94 ALA CB C 94 20.900 20.900 19.630 1.270 18788 3445 1 5 . 1 1 94 94 ALA H H 94 9.230 9.230 9.192 0.038 18788 3446 1 5 . 1 1 95 95 ASP N N 95 127.600 127.600 125.135 2.465 18788 3447 1 5 . 1 1 95 95 ASP HA H 95 4.430 4.430 4.295 0.135 18788 3448 1 5 . 1 1 95 95 ASP C C 95 176.100 176.100 176.474 -0.374 18788 3449 1 5 . 1 1 95 95 ASP CA C 95 56.500 56.500 55.491 1.009 18788 3450 1 5 . 1 1 95 95 ASP CB C 95 39.500 39.500 40.492 -0.993 18788 3451 1 5 . 1 1 95 95 ASP H H 95 9.720 9.720 9.191 0.529 18788 3452 1 5 . 1 1 96 96 GLY N N 96 103.000 103.000 104.703 -1.703 18788 3453 1 5 . 1 1 96 96 GLY C C 96 173.800 173.800 173.934 -0.134 18788 3454 1 5 . 1 1 96 96 GLY CA C 96 45.400 45.400 45.110 0.290 18788 3455 1 5 . 1 1 96 96 GLY H H 96 9.420 9.420 8.307 1.113 18788 3456 1 5 . 1 1 97 97 LYS N N 97 121.400 121.400 121.573 -0.173 18788 3457 1 5 . 1 1 97 97 LYS HA H 97 4.670 4.670 4.473 0.197 18788 3458 1 5 . 1 1 97 97 LYS C C 97 176.000 176.000 175.499 0.501 18788 3459 1 5 . 1 1 97 97 LYS CA C 97 54.200 54.200 55.439 -1.239 18788 3460 1 5 . 1 1 97 97 LYS CB C 97 33.100 33.100 33.578 -0.478 18788 3461 1 5 . 1 1 97 97 LYS H H 97 7.870 7.870 7.808 0.062 18788 3462 1 5 . 1 1 98 98 MET N N 98 127.000 127.000 125.258 1.742 18788 3463 1 5 . 1 1 98 98 MET HA H 98 3.780 3.780 4.010 -0.230 18788 3464 1 5 . 1 1 98 98 MET C C 98 177.700 177.700 177.024 0.676 18788 3465 1 5 . 1 1 98 98 MET CA C 98 56.100 56.100 55.976 0.124 18788 3466 1 5 . 1 1 98 98 MET CB C 98 34.700 34.700 32.540 2.160 18788 3467 1 5 . 1 1 98 98 MET H H 98 9.280 9.280 9.003 0.277 18788 3468 1 5 . 1 1 99 99 VAL N N 99 103.700 103.700 128.238 -24.538 18788 3469 1 5 . 1 1 99 99 VAL HA H 99 3.730 3.730 3.451 0.279 18788 3470 1 5 . 1 1 99 99 VAL C C 99 177.200 177.200 177.601 -0.401 18788 3471 1 5 . 1 1 99 99 VAL CA C 99 66.100 66.100 66.371 -0.272 18788 3472 1 5 . 1 1 99 99 VAL CB C 99 32.400 32.400 31.606 0.794 18788 3473 1 5 . 1 1 99 99 VAL H H 99 10.190 10.190 8.777 1.413 18788 3474 1 5 . 1 1 100 100 ASN N N 100 108.600 108.600 117.626 -9.026 18788 3475 1 5 . 1 1 100 100 ASN HA H 100 4.080 4.080 4.225 -0.145 18788 3476 1 5 . 1 1 100 100 ASN C C 100 174.200 174.200 177.058 -2.858 18788 3477 1 5 . 1 1 100 100 ASN CA C 100 57.200 57.200 57.399 -0.199 18788 3478 1 5 . 1 1 100 100 ASN CB C 100 34.700 34.700 37.731 -3.031 18788 3479 1 5 . 1 1 100 100 ASN H H 100 9.670 9.670 7.741 1.929 18788 3480 1 5 . 1 1 101 101 GLU N N 101 112.800 112.800 120.660 -7.860 18788 3481 1 5 . 1 1 101 101 GLU HA H 101 3.660 3.660 3.945 -0.285 18788 3482 1 5 . 1 1 101 101 GLU C C 101 176.100 176.100 178.010 -1.910 18788 3483 1 5 . 1 1 101 101 GLU CA C 101 59.800 59.800 59.645 0.155 18788 3484 1 5 . 1 1 101 101 GLU CB C 101 30.200 30.200 29.570 0.630 18788 3485 1 5 . 1 1 101 101 GLU H H 101 6.150 6.150 8.005 -1.855 18788 3486 1 5 . 1 1 102 102 ALA N N 102 122.600 122.600 122.718 -0.118 18788 3487 1 5 . 1 1 102 102 ALA HA H 102 4.070 4.070 4.134 -0.064 18788 3488 1 5 . 1 1 102 102 ALA C C 102 179.800 179.800 180.192 -0.392 18788 3489 1 5 . 1 1 102 102 ALA CA C 102 55.300 55.300 55.354 -0.054 18788 3490 1 5 . 1 1 102 102 ALA CB C 102 17.900 17.900 18.252 -0.352 18788 3491 1 5 . 1 1 102 102 ALA H H 102 7.810 7.810 8.160 -0.350 18788 3492 1 5 . 1 1 103 103 LEU N N 103 116.100 116.100 118.405 -2.305 18788 3493 1 5 . 1 1 103 103 LEU HA H 103 3.280 3.280 4.108 -0.828 18788 3494 1 5 . 1 1 103 103 LEU C C 103 178.900 178.900 179.133 -0.233 18788 3495 1 5 . 1 1 103 103 LEU CA C 103 57.800 57.800 58.031 -0.231 18788 3496 1 5 . 1 1 103 103 LEU CB C 103 45.500 45.500 41.671 3.829 18788 3497 1 5 . 1 1 103 103 LEU H H 103 8.070 8.070 8.530 -0.460 18788 3498 1 5 . 1 1 104 104 VAL N N 104 116.600 116.600 119.720 -3.120 18788 3499 1 5 . 1 1 104 104 VAL HA H 104 3.870 3.870 4.059 -0.189 18788 3500 1 5 . 1 1 104 104 VAL C C 104 180.300 180.300 179.384 0.916 18788 3501 1 5 . 1 1 104 104 VAL CA C 104 65.000 65.000 65.999 -0.998 18788 3502 1 5 . 1 1 104 104 VAL CB C 104 32.000 32.000 31.552 0.448 18788 3503 1 5 . 1 1 104 104 VAL H H 104 6.890 6.890 7.663 -0.773 18788 3504 1 5 . 1 1 105 105 ARG N N 105 122.400 122.400 120.039 2.361 18788 3505 1 5 . 1 1 105 105 ARG HA H 105 4.130 4.130 4.052 0.078 18788 3506 1 5 . 1 1 105 105 ARG C C 105 176.000 176.000 178.435 -2.435 18788 3507 1 5 . 1 1 105 105 ARG CA C 105 57.000 57.000 58.592 -1.592 18788 3508 1 5 . 1 1 105 105 ARG CB C 105 28.300 28.300 29.651 -1.351 18788 3509 1 5 . 1 1 105 105 ARG H H 105 9.140 9.140 8.618 0.522 18788 3510 1 5 . 1 1 106 106 GLN N N 106 112.000 112.000 116.009 -4.009 18788 3511 1 5 . 1 1 106 106 GLN HA H 106 4.320 4.320 4.122 0.198 18788 3512 1 5 . 1 1 106 106 GLN C C 106 175.600 175.600 175.911 -0.311 18788 3513 1 5 . 1 1 106 106 GLN CA C 106 53.800 53.800 55.511 -1.712 18788 3514 1 5 . 1 1 106 106 GLN CB C 106 28.300 28.300 28.922 -0.622 18788 3515 1 5 . 1 1 106 106 GLN H H 106 7.120 7.120 8.078 -0.958 18788 3516 1 5 . 1 1 107 107 GLY N N 107 107.100 107.100 106.291 0.809 18788 3517 1 5 . 1 1 107 107 GLY C C 107 172.400 172.400 174.114 -1.714 18788 3518 1 5 . 1 1 107 107 GLY CA C 107 46.300 46.300 46.106 0.194 18788 3519 1 5 . 1 1 107 107 GLY H H 107 8.080 8.080 7.751 0.329 18788 3520 1 5 . 1 1 108 108 LEU N N 108 115.100 115.100 117.234 -2.134 18788 3521 1 5 . 1 1 108 108 LEU HA H 108 4.300 4.300 4.460 -0.160 18788 3522 1 5 . 1 1 108 108 LEU C C 108 172.500 172.500 174.809 -2.309 18788 3523 1 5 . 1 1 108 108 LEU CA C 108 53.300 53.300 53.977 -0.677 18788 3524 1 5 . 1 1 108 108 LEU CB C 108 43.500 43.500 43.260 0.240 18788 3525 1 5 . 1 1 108 108 LEU H H 108 7.810 7.810 8.655 -0.845 18788 3526 1 5 . 1 1 109 109 ALA N N 109 112.900 112.900 119.614 -6.714 18788 3527 1 5 . 1 1 109 109 ALA HA H 109 4.500 4.500 4.584 -0.084 18788 3528 1 5 . 1 1 109 109 ALA C C 109 174.800 174.800 175.635 -0.835 18788 3529 1 5 . 1 1 109 109 ALA CA C 109 49.900 49.900 50.807 -0.907 18788 3530 1 5 . 1 1 109 109 ALA CB C 109 24.900 24.900 21.741 3.159 18788 3531 1 5 . 1 1 109 109 ALA H H 109 6.950 6.950 7.417 -0.467 18788 3532 1 5 . 1 1 110 110 LYS N N 110 117.700 117.700 121.528 -3.828 18788 3533 1 5 . 1 1 110 110 LYS HA H 110 5.120 5.120 5.174 -0.054 18788 3534 1 5 . 1 1 110 110 LYS C C 110 175.800 175.800 175.961 -0.161 18788 3535 1 5 . 1 1 110 110 LYS CA C 110 53.800 53.800 54.643 -0.843 18788 3536 1 5 . 1 1 110 110 LYS CB C 110 35.300 35.300 35.951 -0.651 18788 3537 1 5 . 1 1 110 110 LYS H H 110 7.890 7.890 8.601 -0.711 18788 3538 1 5 . 1 1 111 111 VAL N N 111 123.100 123.100 122.212 0.888 18788 3539 1 5 . 1 1 111 111 VAL HA H 111 4.630 4.630 4.231 0.399 18788 3540 1 5 . 1 1 111 111 VAL C C 111 176.500 176.500 174.971 1.529 18788 3541 1 5 . 1 1 111 111 VAL CA C 111 63.100 63.100 62.694 0.406 18788 3542 1 5 . 1 1 111 111 VAL CB C 111 30.600 30.600 32.378 -1.778 18788 3543 1 5 . 1 1 111 111 VAL H H 111 9.180 9.180 9.442 -0.262 18788 3544 1 5 . 1 1 112 112 ALA N N 112 131.500 131.500 129.272 2.228 18788 3545 1 5 . 1 1 112 112 ALA HA H 112 4.150 4.150 4.539 -0.389 18788 3546 1 5 . 1 1 112 112 ALA C C 112 173.300 173.300 176.015 -2.715 18788 3547 1 5 . 1 1 112 112 ALA CA C 112 51.300 51.300 50.265 1.035 18788 3548 1 5 . 1 1 112 112 ALA CB C 112 23.900 23.900 21.296 2.604 18788 3549 1 5 . 1 1 112 112 ALA H H 112 8.000 8.000 8.304 -0.304 18788 3550 1 5 . 1 1 114 114 VAL N N 114 123.100 123.100 126.652 -3.552 18788 3551 1 5 . 1 1 114 114 VAL HA H 114 3.550 3.550 4.079 -0.529 18788 3552 1 5 . 1 1 114 114 VAL C C 114 174.600 174.600 176.452 -1.852 18788 3553 1 5 . 1 1 114 114 VAL CA C 114 62.000 62.000 63.343 -1.343 18788 3554 1 5 . 1 1 114 114 VAL CB C 114 30.300 30.300 31.971 -1.671 18788 3555 1 5 . 1 1 114 114 VAL H H 114 7.480 7.480 8.851 -1.371 18788 3556 1 5 . 1 1 115 115 TYR N N 115 130.100 130.100 131.723 -1.623 18788 3557 1 5 . 1 1 115 115 TYR HA H 115 4.940 4.940 4.509 0.431 18788 3558 1 5 . 1 1 115 115 TYR C C 115 175.700 175.700 174.554 1.146 18788 3559 1 5 . 1 1 115 115 TYR CA C 115 54.900 54.900 56.851 -1.951 18788 3560 1 5 . 1 1 115 115 TYR CB C 115 38.200 38.200 37.545 0.655 18788 3561 1 5 . 1 1 115 115 TYR H H 115 8.970 8.970 8.735 0.235 18788 3562 1 5 . 1 1 116 116 LYS N N 116 125.400 125.400 127.629 -2.229 18788 3563 1 5 . 1 1 116 116 LYS HA H 116 3.940 3.940 4.359 -0.419 18788 3564 1 5 . 1 1 116 116 LYS C C 116 175.100 175.100 175.682 -0.582 18788 3565 1 5 . 1 1 116 116 LYS CA C 116 56.400 56.400 55.201 1.199 18788 3566 1 5 . 1 1 116 116 LYS CB C 116 31.600 31.600 31.993 -0.393 18788 3567 1 5 . 1 1 116 116 LYS H H 116 8.770 8.770 7.684 1.086 18788 3568 1 5 . 1 1 117 117 PRO HA H 117 4.620 4.620 4.474 0.146 18788 3569 1 5 . 1 1 117 117 PRO C C 117 175.600 175.600 176.131 -0.531 18788 3570 1 5 . 1 1 117 117 PRO CA C 117 64.100 64.100 63.175 0.925 18788 3571 1 5 . 1 1 117 117 PRO CB C 117 32.600 32.600 32.031 0.569 18788 3572 1 5 . 1 1 118 118 ASN N N 118 128.800 128.800 121.695 7.105 18788 3573 1 5 . 1 1 118 118 ASN HA H 118 5.310 5.310 4.879 0.431 18788 3574 1 5 . 1 1 118 118 ASN C C 118 174.500 174.500 174.109 0.391 18788 3575 1 5 . 1 1 118 118 ASN CA C 118 51.600 51.600 53.521 -1.921 18788 3576 1 5 . 1 1 118 118 ASN CB C 118 36.200 36.200 37.083 -0.883 18788 3577 1 5 . 1 1 118 118 ASN H H 118 8.710 8.710 7.704 1.006 18788 3578 1 5 . 1 1 119 119 ASN N N 119 117.600 117.600 118.626 -1.026 18788 3579 1 5 . 1 1 119 119 ASN HA H 119 5.020 5.020 4.971 0.049 18788 3580 1 5 . 1 1 119 119 ASN C C 119 177.500 177.500 174.153 3.347 18788 3581 1 5 . 1 1 119 119 ASN CA C 119 51.900 51.900 52.887 -0.987 18788 3582 1 5 . 1 1 119 119 ASN CB C 119 39.100 39.100 39.758 -0.658 18788 3583 1 5 . 1 1 119 119 ASN H H 119 8.120 8.120 8.167 -0.047 18788 3584 1 5 . 1 1 120 120 THR N N 120 124.400 124.400 117.952 6.448 18788 3585 1 5 . 1 1 120 120 THR HA H 120 3.850 3.850 4.519 -0.669 18788 3586 1 5 . 1 1 120 120 THR C C 120 176.400 176.400 174.895 1.505 18788 3587 1 5 . 1 1 120 120 THR CA C 120 69.100 69.100 63.185 5.915 18788 3588 1 5 . 1 1 120 120 THR CB C 120 66.800 66.800 69.917 -3.117 18788 3589 1 5 . 1 1 120 120 THR H H 120 10.730 10.730 9.350 1.380 18788 3590 1 5 . 1 1 121 121 HIS N N 121 113.400 113.400 118.974 -5.574 18788 3591 1 5 . 1 1 121 121 HIS HA H 121 5.420 5.420 4.925 0.495 18788 3592 1 5 . 1 1 121 121 HIS C C 121 174.800 174.800 175.654 -0.854 18788 3593 1 5 . 1 1 121 121 HIS CA C 121 53.900 53.900 55.107 -1.207 18788 3594 1 5 . 1 1 121 121 HIS CB C 121 29.400 29.400 30.790 -1.390 18788 3595 1 5 . 1 1 121 121 HIS H H 121 6.860 6.860 7.970 -1.110 18788 3596 1 5 . 1 1 122 122 GLU N N 122 120.200 120.200 120.441 -0.241 18788 3597 1 5 . 1 1 122 122 GLU HA H 122 3.700 3.700 4.004 -0.304 18788 3598 1 5 . 1 1 122 122 GLU C C 122 177.200 177.200 178.100 -0.900 18788 3599 1 5 . 1 1 122 122 GLU CA C 122 61.200 61.200 60.231 0.969 18788 3600 1 5 . 1 1 122 122 GLU CB C 122 29.900 29.900 28.749 1.151 18788 3601 1 5 . 1 1 122 122 GLU H H 122 7.540 7.540 8.907 -1.367 18788 3602 1 5 . 1 1 123 123 GLN N N 123 117.200 117.200 118.639 -1.439 18788 3603 1 5 . 1 1 123 123 GLN HA H 123 3.970 3.970 4.090 -0.120 18788 3604 1 5 . 1 1 123 123 GLN C C 123 178.600 178.600 178.237 0.363 18788 3605 1 5 . 1 1 123 123 GLN CA C 123 59.500 59.500 58.372 1.128 18788 3606 1 5 . 1 1 123 123 GLN CB C 123 27.100 27.100 27.822 -0.722 18788 3607 1 5 . 1 1 123 123 GLN H H 123 8.920 8.920 8.476 0.444 18788 3608 1 5 . 1 1 124 124 LEU N N 124 122.000 122.000 121.595 0.405 18788 3609 1 5 . 1 1 124 124 LEU HA H 124 4.090 4.090 4.138 -0.048 18788 3610 1 5 . 1 1 124 124 LEU C C 124 179.100 179.100 178.373 0.727 18788 3611 1 5 . 1 1 124 124 LEU CA C 124 58.600 58.600 57.546 1.054 18788 3612 1 5 . 1 1 124 124 LEU CB C 124 42.000 42.000 41.234 0.766 18788 3613 1 5 . 1 1 124 124 LEU H H 124 7.940 7.940 7.343 0.597 18788 3614 1 5 . 1 1 125 125 LEU N N 125 118.900 118.900 119.041 -0.141 18788 3615 1 5 . 1 1 125 125 LEU HA H 125 4.000 4.000 3.986 0.014 18788 3616 1 5 . 1 1 125 125 LEU C C 125 179.200 179.200 179.284 -0.084 18788 3617 1 5 . 1 1 125 125 LEU CA C 125 58.900 58.900 58.057 0.843 18788 3618 1 5 . 1 1 125 125 LEU CB C 125 41.100 41.100 41.461 -0.361 18788 3619 1 5 . 1 1 125 125 LEU H H 125 8.030 8.030 7.618 0.412 18788 3620 1 5 . 1 1 126 126 ARG N N 126 118.800 118.800 119.406 -0.606 18788 3621 1 5 . 1 1 126 126 ARG HA H 126 4.030 4.030 3.943 0.087 18788 3622 1 5 . 1 1 126 126 ARG C C 126 179.700 179.700 178.700 1.000 18788 3623 1 5 . 1 1 126 126 ARG CA C 126 60.600 60.600 60.202 0.398 18788 3624 1 5 . 1 1 126 126 ARG CB C 126 29.100 29.100 30.142 -1.042 18788 3625 1 5 . 1 1 126 126 ARG H H 126 9.010 9.010 8.670 0.340 18788 3626 1 5 . 1 1 127 127 LYS N N 127 122.700 122.700 119.266 3.434 18788 3627 1 5 . 1 1 127 127 LYS HA H 127 4.150 4.150 4.057 0.093 18788 3628 1 5 . 1 1 127 127 LYS C C 127 179.800 179.800 178.963 0.837 18788 3629 1 5 . 1 1 127 127 LYS CA C 127 60.100 60.100 59.404 0.696 18788 3630 1 5 . 1 1 127 127 LYS CB C 127 31.700 31.700 31.905 -0.205 18788 3631 1 5 . 1 1 127 127 LYS H H 127 8.160 8.160 8.305 -0.145 18788 3632 1 5 . 1 1 128 128 SER N N 128 118.300 118.300 116.932 1.368 18788 3633 1 5 . 1 1 128 128 SER HA H 128 4.320 4.320 4.173 0.147 18788 3634 1 5 . 1 1 128 128 SER C C 128 175.500 175.500 176.268 -0.768 18788 3635 1 5 . 1 1 128 128 SER CA C 128 63.600 63.600 62.651 0.949 18788 3636 1 5 . 1 1 128 128 SER CB C 128 62.600 62.600 62.931 -0.331 18788 3637 1 5 . 1 1 128 128 SER H H 128 7.830 7.830 7.804 0.026 18788 3638 1 5 . 1 1 129 129 GLU N N 129 125.200 125.200 123.234 1.966 18788 3639 1 5 . 1 1 129 129 GLU HA H 129 3.900 3.900 4.038 -0.138 18788 3640 1 5 . 1 1 129 129 GLU C C 129 177.400 177.400 178.014 -0.614 18788 3641 1 5 . 1 1 129 129 GLU CA C 129 59.200 59.200 59.157 0.043 18788 3642 1 5 . 1 1 129 129 GLU CB C 129 30.900 30.900 29.752 1.148 18788 3643 1 5 . 1 1 129 129 GLU H H 129 8.580 8.580 8.157 0.423 18788 3644 1 5 . 1 1 130 130 ALA N N 130 119.500 119.500 121.495 -1.995 18788 3645 1 5 . 1 1 130 130 ALA HA H 130 3.850 3.850 3.830 0.020 18788 3646 1 5 . 1 1 130 130 ALA C C 130 181.000 181.000 179.527 1.473 18788 3647 1 5 . 1 1 130 130 ALA CA C 130 55.000 55.000 55.070 -0.070 18788 3648 1 5 . 1 1 130 130 ALA CB C 130 17.600 17.600 17.872 -0.272 18788 3649 1 5 . 1 1 130 130 ALA H H 130 7.950 7.950 7.788 0.162 18788 3650 1 5 . 1 1 131 131 GLN N N 131 118.600 118.600 119.093 -0.493 18788 3651 1 5 . 1 1 131 131 GLN HA H 131 3.990 3.990 3.972 0.018 18788 3652 1 5 . 1 1 131 131 GLN C C 131 177.200 177.200 177.992 -0.792 18788 3653 1 5 . 1 1 131 131 GLN CA C 131 58.800 58.800 58.827 -0.027 18788 3654 1 5 . 1 1 131 131 GLN CB C 131 28.000 28.000 28.649 -0.649 18788 3655 1 5 . 1 1 131 131 GLN H H 131 7.520 7.520 7.700 -0.180 18788 3656 1 5 . 1 1 132 132 ALA N N 132 123.100 123.100 122.021 1.079 18788 3657 1 5 . 1 1 132 132 ALA HA H 132 3.930 3.930 4.061 -0.131 18788 3658 1 5 . 1 1 132 132 ALA C C 132 179.500 179.500 179.419 0.081 18788 3659 1 5 . 1 1 132 132 ALA CA C 132 55.600 55.600 55.059 0.541 18788 3660 1 5 . 1 1 132 132 ALA CB C 132 18.400 18.400 18.539 -0.139 18788 3661 1 5 . 1 1 132 132 ALA H H 132 8.000 8.000 7.941 0.059 18788 3662 1 5 . 1 1 133 133 LYS N N 133 117.200 117.200 117.677 -0.477 18788 3663 1 5 . 1 1 133 133 LYS HA H 133 3.450 3.450 3.399 0.051 18788 3664 1 5 . 1 1 133 133 LYS C C 133 180.800 180.800 179.017 1.783 18788 3665 1 5 . 1 1 133 133 LYS CA C 133 59.500 59.500 59.337 0.163 18788 3666 1 5 . 1 1 133 133 LYS CB C 133 32.200 32.200 32.058 0.142 18788 3667 1 5 . 1 1 133 133 LYS H H 133 8.170 8.170 8.014 0.156 18788 3668 1 5 . 1 1 134 134 LYS N N 134 122.600 122.600 117.789 4.811 18788 3669 1 5 . 1 1 134 134 LYS HA H 134 3.960 3.960 3.984 -0.024 18788 3670 1 5 . 1 1 134 134 LYS C C 134 178.700 178.700 178.832 -0.132 18788 3671 1 5 . 1 1 134 134 LYS CA C 134 59.200 59.200 59.166 0.034 18788 3672 1 5 . 1 1 134 134 LYS CB C 134 32.200 32.200 32.069 0.131 18788 3673 1 5 . 1 1 134 134 LYS H H 134 7.830 7.830 7.670 0.160 18788 3674 1 5 . 1 1 135 135 GLU N N 135 116.500 116.500 118.225 -1.725 18788 3675 1 5 . 1 1 135 135 GLU HA H 135 4.030 4.030 4.263 -0.233 18788 3676 1 5 . 1 1 135 135 GLU C C 135 174.500 174.500 176.112 -1.612 18788 3677 1 5 . 1 1 135 135 GLU CA C 135 56.700 56.700 56.664 0.036 18788 3678 1 5 . 1 1 135 135 GLU CB C 135 29.700 29.700 29.810 -0.110 18788 3679 1 5 . 1 1 135 135 GLU H H 135 7.680 7.680 7.658 0.022 18788 3680 1 5 . 1 1 136 136 LYS N N 136 116.800 116.800 116.615 0.185 18788 3681 1 5 . 1 1 136 136 LYS HA H 136 3.540 3.540 4.056 -0.516 18788 3682 1 5 . 1 1 136 136 LYS C C 136 175.000 175.000 176.200 -1.200 18788 3683 1 5 . 1 1 136 136 LYS CA C 136 56.800 56.800 56.647 0.153 18788 3684 1 5 . 1 1 136 136 LYS CB C 136 28.800 28.800 29.975 -1.175 18788 3685 1 5 . 1 1 136 136 LYS H H 136 7.820 7.820 7.661 0.159 18788 3686 1 5 . 1 1 137 137 LEU N N 137 117.000 117.000 117.883 -0.883 18788 3687 1 5 . 1 1 137 137 LEU HA H 137 4.190 4.190 4.182 0.008 18788 3688 1 5 . 1 1 137 137 LEU C C 137 178.500 178.500 178.470 0.030 18788 3689 1 5 . 1 1 137 137 LEU CA C 137 55.000 55.000 54.984 0.016 18788 3690 1 5 . 1 1 137 137 LEU CB C 137 44.000 44.000 41.936 2.064 18788 3691 1 5 . 1 1 137 137 LEU H H 137 7.650 7.650 8.015 -0.365 18788 3692 1 5 . 1 1 138 138 ASN N N 138 118.700 118.700 118.816 -0.116 18788 3693 1 5 . 1 1 138 138 ASN HA H 138 3.730 3.730 4.308 -0.578 18788 3694 1 5 . 1 1 138 138 ASN C C 138 176.300 176.300 178.097 -1.797 18788 3695 1 5 . 1 1 138 138 ASN CA C 138 56.600 56.600 56.775 -0.175 18788 3696 1 5 . 1 1 138 138 ASN CB C 138 38.700 38.700 38.608 0.092 18788 3697 1 5 . 1 1 138 138 ASN H H 138 9.050 9.050 8.353 0.697 18788 3698 1 5 . 1 1 139 139 ILE N N 139 123.800 123.800 113.693 10.107 18788 3699 1 5 . 1 1 139 139 ILE HA H 139 3.380 3.380 3.909 -0.529 18788 3700 1 5 . 1 1 139 139 ILE C C 139 176.700 176.700 176.289 0.411 18788 3701 1 5 . 1 1 139 139 ILE CA C 139 65.700 65.700 62.935 2.765 18788 3702 1 5 . 1 1 139 139 ILE CB C 139 37.000 37.000 37.106 -0.106 18788 3703 1 5 . 1 1 139 139 ILE H H 139 8.350 8.350 7.999 0.351 18788 3704 1 5 . 1 1 140 140 TRP N N 140 119.700 119.700 120.063 -0.363 18788 3705 1 5 . 1 1 140 140 TRP HA H 140 4.940 4.940 4.789 0.151 18788 3706 1 5 . 1 1 140 140 TRP C C 140 176.200 176.200 177.155 -0.955 18788 3707 1 5 . 1 1 140 140 TRP CA C 140 54.900 54.900 56.759 -1.859 18788 3708 1 5 . 1 1 140 140 TRP CB C 140 30.000 30.000 30.371 -0.371 18788 3709 1 5 . 1 1 140 140 TRP H H 140 7.850 7.850 7.598 0.252 18788 3710 1 5 . 1 1 141 141 SER N N 141 116.100 116.100 115.007 1.093 18788 3711 1 5 . 1 1 141 141 SER HA H 141 4.220 4.220 4.513 -0.293 18788 3712 1 5 . 1 1 141 141 SER C C 141 175.200 175.200 174.848 0.352 18788 3713 1 5 . 1 1 141 141 SER CA C 141 59.800 59.800 58.689 1.111 18788 3714 1 5 . 1 1 141 141 SER CB C 141 64.600 64.600 62.787 1.813 18788 3715 1 5 . 1 1 141 141 SER H H 141 8.080 8.080 7.791 0.289 18788 3716 1 5 . 1 1 142 142 GLU N N 142 121.200 121.200 121.868 -0.668 18788 3717 1 5 . 1 1 142 142 GLU HA H 142 4.430 4.430 4.247 0.183 18788 3718 1 5 . 1 1 142 142 GLU C C 142 176.200 176.200 177.320 -1.120 18788 3719 1 5 . 1 1 142 142 GLU CA C 142 56.100 56.100 57.554 -1.454 18788 3720 1 5 . 1 1 142 142 GLU CB C 142 30.500 30.500 29.720 0.780 18788 3721 1 5 . 1 1 142 142 GLU H H 142 8.020 8.020 8.427 -0.407 18788 3722 1 5 . 1 1 143 143 ASP N N 143 121.400 121.400 118.910 2.490 18788 3723 1 5 . 1 1 143 143 ASP HA H 143 4.620 4.620 4.474 0.146 18788 3724 1 5 . 1 1 143 143 ASP C C 143 176.100 176.100 175.893 0.207 18788 3725 1 5 . 1 1 143 143 ASP CA C 143 54.800 54.800 55.195 -0.395 18788 3726 1 5 . 1 1 143 143 ASP CB C 143 41.200 41.200 41.184 0.016 18788 3727 1 5 . 1 1 143 143 ASP H H 143 8.370 8.370 8.341 0.029 18788 3728 1 5 . 1 1 144 144 ASN N N 144 119.300 119.300 117.796 1.504 18788 3729 1 5 . 1 1 144 144 ASN HA H 144 4.760 4.760 4.769 -0.009 18788 3730 1 5 . 1 1 144 144 ASN C C 144 175.200 175.200 174.083 1.117 18788 3731 1 5 . 1 1 144 144 ASN CA C 144 53.200 53.200 53.402 -0.202 18788 3732 1 5 . 1 1 144 144 ASN CB C 144 39.000 39.000 39.232 -0.232 18788 3733 1 5 . 1 1 144 144 ASN H H 144 8.400 8.400 8.682 -0.282 18788 3734 1 5 . 1 1 145 145 ALA N N 145 124.300 124.300 122.758 1.542 18788 3735 1 5 . 1 1 145 145 ALA HA H 145 4.310 4.310 4.564 -0.254 18788 3736 1 5 . 1 1 145 145 ALA C C 145 177.700 177.700 177.151 0.549 18788 3737 1 5 . 1 1 145 145 ALA CA C 145 53.300 53.300 50.720 2.580 18788 3738 1 5 . 1 1 145 145 ALA CB C 145 19.200 19.200 20.442 -1.242 18788 3739 1 5 . 1 1 145 145 ALA H H 145 8.240 8.240 7.795 0.445 18788 3740 1 5 . 1 1 146 146 ASP N N 146 119.200 119.200 117.308 1.892 18788 3741 1 5 . 1 1 146 146 ASP HA H 146 4.670 4.670 4.492 0.178 18788 3742 1 5 . 1 1 146 146 ASP C C 146 176.400 176.400 176.436 -0.036 18788 3743 1 5 . 1 1 146 146 ASP CA C 146 54.400 54.400 55.770 -1.370 18788 3744 1 5 . 1 1 146 146 ASP CB C 146 41.200 41.200 40.936 0.264 18788 3745 1 5 . 1 1 146 146 ASP H H 146 8.340 8.340 8.606 -0.266 18788 3746 1 5 . 1 1 147 147 SER N N 147 116.100 116.100 114.561 1.539 18788 3747 1 5 . 1 1 147 147 SER HA H 147 4.450 4.450 4.502 -0.052 18788 3748 1 5 . 1 1 147 147 SER C C 147 175.200 175.200 174.990 0.210 18788 3749 1 5 . 1 1 147 147 SER CA C 147 58.900 58.900 58.067 0.833 18788 3750 1 5 . 1 1 147 147 SER CB C 147 64.100 64.100 63.705 0.395 18788 3751 1 5 . 1 1 147 147 SER H H 147 8.220 8.220 8.050 0.170 18788 3752 1 5 . 1 1 148 148 GLY N N 148 111.200 111.200 110.712 0.488 18788 3753 1 5 . 1 1 148 148 GLY C C 148 173.400 173.400 174.076 -0.676 18788 3754 1 5 . 1 1 148 148 GLY CA C 148 45.500 45.500 45.748 -0.248 18788 3755 1 5 . 1 1 148 148 GLY H H 148 8.470 8.470 8.197 0.273 18788 3756 1 6 . 1 1 2 2 THR N N 2 120.300 120.300 116.307 3.993 18788 3757 1 6 . 1 1 2 2 THR HA H 2 4.430 4.430 4.579 -0.149 18788 3758 1 6 . 1 1 2 2 THR C C 2 174.400 174.400 173.875 0.525 18788 3759 1 6 . 1 1 2 2 THR CA C 2 62.100 62.100 62.092 0.008 18788 3760 1 6 . 1 1 2 2 THR CB C 2 69.900 69.900 68.013 1.887 18788 3761 1 6 . 1 1 2 2 THR H H 2 8.320 8.320 8.250 0.070 18788 3762 1 6 . 1 1 3 3 SER N N 3 118.700 118.700 121.651 -2.951 18788 3763 1 6 . 1 1 3 3 SER HA H 3 5.000 5.000 4.823 0.177 18788 3764 1 6 . 1 1 3 3 SER CA C 3 58.400 58.400 57.783 0.617 18788 3765 1 6 . 1 1 3 3 SER CB C 3 68.800 68.800 65.388 3.412 18788 3766 1 6 . 1 1 3 3 SER H H 3 8.520 8.520 8.333 0.187 18788 3767 1 6 . 1 1 4 4 THR HA H 4 4.380 4.380 4.661 -0.281 18788 3768 1 6 . 1 1 4 4 THR C C 4 174.400 174.400 174.434 -0.034 18788 3769 1 6 . 1 1 4 4 THR CA C 4 62.000 62.000 62.443 -0.443 18788 3770 1 6 . 1 1 4 4 THR CB C 4 69.700 69.700 69.596 0.104 18788 3771 1 6 . 1 1 5 5 LYS N N 5 124.000 124.000 122.016 1.984 18788 3772 1 6 . 1 1 5 5 LYS HA H 5 4.370 4.370 4.411 -0.041 18788 3773 1 6 . 1 1 5 5 LYS C C 5 176.100 176.100 176.026 0.074 18788 3774 1 6 . 1 1 5 5 LYS CA C 5 56.500 56.500 56.453 0.047 18788 3775 1 6 . 1 1 5 5 LYS CB C 5 32.900 32.900 32.680 0.220 18788 3776 1 6 . 1 1 5 5 LYS H H 5 8.320 8.320 8.178 0.142 18788 3777 1 6 . 1 1 6 6 LYS N N 6 122.500 122.500 121.295 1.205 18788 3778 1 6 . 1 1 6 6 LYS HA H 6 4.400 4.400 4.371 0.029 18788 3779 1 6 . 1 1 6 6 LYS C C 6 176.200 176.200 175.883 0.317 18788 3780 1 6 . 1 1 6 6 LYS CA C 6 55.900 55.900 55.729 0.171 18788 3781 1 6 . 1 1 6 6 LYS CB C 6 33.600 33.600 32.868 0.732 18788 3782 1 6 . 1 1 6 6 LYS H H 6 8.220 8.220 7.529 0.691 18788 3783 1 6 . 1 1 7 7 LEU N N 7 122.200 122.200 125.415 -3.215 18788 3784 1 6 . 1 1 7 7 LEU HA H 7 4.550 4.550 4.595 -0.045 18788 3785 1 6 . 1 1 7 7 LEU C C 7 176.600 176.600 176.390 0.210 18788 3786 1 6 . 1 1 7 7 LEU CA C 7 54.800 54.800 54.308 0.492 18788 3787 1 6 . 1 1 7 7 LEU CB C 7 41.500 41.500 42.852 -1.352 18788 3788 1 6 . 1 1 7 7 LEU H H 7 8.340 8.340 8.593 -0.253 18788 3789 1 6 . 1 1 8 8 HIS N N 8 119.200 119.200 116.464 2.736 18788 3790 1 6 . 1 1 8 8 HIS HA H 8 4.990 4.990 4.961 0.029 18788 3791 1 6 . 1 1 8 8 HIS C C 8 173.700 173.700 174.066 -0.366 18788 3792 1 6 . 1 1 8 8 HIS CA C 8 55.300 55.300 54.192 1.108 18788 3793 1 6 . 1 1 8 8 HIS CB C 8 32.200 32.200 31.374 0.826 18788 3794 1 6 . 1 1 8 8 HIS H H 8 8.860 8.860 8.259 0.601 18788 3795 1 6 . 1 1 9 9 LYS N N 9 124.000 124.000 126.734 -2.734 18788 3796 1 6 . 1 1 9 9 LYS HA H 9 4.840 4.840 4.352 0.488 18788 3797 1 6 . 1 1 9 9 LYS C C 9 176.400 176.400 176.242 0.158 18788 3798 1 6 . 1 1 9 9 LYS CA C 9 55.700 55.700 56.731 -1.031 18788 3799 1 6 . 1 1 9 9 LYS CB C 9 34.700 34.700 33.182 1.518 18788 3800 1 6 . 1 1 9 9 LYS H H 9 8.480 8.480 8.804 -0.324 18788 3801 1 6 . 1 1 10 10 GLU N N 10 123.100 123.100 123.857 -0.757 18788 3802 1 6 . 1 1 10 10 GLU HA H 10 5.060 5.060 5.004 0.056 18788 3803 1 6 . 1 1 10 10 GLU C C 10 173.200 173.200 174.567 -1.367 18788 3804 1 6 . 1 1 10 10 GLU CA C 10 53.400 53.400 53.005 0.395 18788 3805 1 6 . 1 1 10 10 GLU CB C 10 33.000 33.000 31.281 1.719 18788 3806 1 6 . 1 1 10 10 GLU H H 10 9.390 9.390 8.836 0.554 18788 3807 1 6 . 1 1 11 11 PRO HA H 11 4.900 4.900 4.737 0.163 18788 3808 1 6 . 1 1 11 11 PRO C C 11 175.400 175.400 175.548 -0.148 18788 3809 1 6 . 1 1 11 11 PRO CA C 11 63.100 63.100 63.054 0.046 18788 3810 1 6 . 1 1 11 11 PRO CB C 11 33.000 33.000 32.245 0.755 18788 3811 1 6 . 1 1 12 12 ALA N N 12 119.700 119.700 124.527 -4.827 18788 3812 1 6 . 1 1 12 12 ALA HA H 12 4.990 4.990 5.413 -0.423 18788 3813 1 6 . 1 1 12 12 ALA C C 12 175.400 175.400 175.665 -0.265 18788 3814 1 6 . 1 1 12 12 ALA CA C 12 51.600 51.600 50.772 0.828 18788 3815 1 6 . 1 1 12 12 ALA CB C 12 24.600 24.600 23.430 1.170 18788 3816 1 6 . 1 1 12 12 ALA H H 12 8.070 8.070 8.955 -0.885 18788 3817 1 6 . 1 1 13 13 THR N N 13 109.100 109.100 114.007 -4.907 18788 3818 1 6 . 1 1 13 13 THR HA H 13 4.700 4.700 4.643 0.057 18788 3819 1 6 . 1 1 13 13 THR C C 13 174.000 174.000 172.898 1.102 18788 3820 1 6 . 1 1 13 13 THR CA C 13 60.700 60.700 61.547 -0.847 18788 3821 1 6 . 1 1 13 13 THR CB C 13 71.600 71.600 72.277 -0.677 18788 3822 1 6 . 1 1 13 13 THR H H 13 8.090 8.090 8.025 0.065 18788 3823 1 6 . 1 1 14 14 LEU N N 14 125.200 125.200 126.340 -1.140 18788 3824 1 6 . 1 1 14 14 LEU HA H 14 4.140 4.140 4.263 -0.123 18788 3825 1 6 . 1 1 14 14 LEU C C 14 176.700 176.700 175.493 1.207 18788 3826 1 6 . 1 1 14 14 LEU CA C 14 56.800 56.800 56.048 0.752 18788 3827 1 6 . 1 1 14 14 LEU CB C 14 42.900 42.900 42.856 0.044 18788 3828 1 6 . 1 1 14 14 LEU H H 14 9.150 9.150 8.866 0.284 18788 3829 1 6 . 1 1 15 15 ILE N N 15 125.200 125.200 123.348 1.852 18788 3830 1 6 . 1 1 15 15 ILE HA H 15 4.220 4.220 4.172 0.048 18788 3831 1 6 . 1 1 15 15 ILE C C 15 175.900 175.900 175.877 0.023 18788 3832 1 6 . 1 1 15 15 ILE CA C 15 64.300 64.300 62.668 1.632 18788 3833 1 6 . 1 1 15 15 ILE CB C 15 38.700 38.700 39.076 -0.376 18788 3834 1 6 . 1 1 15 15 ILE H H 15 8.460 8.460 8.703 -0.243 18788 3835 1 6 . 1 1 16 16 LYS N N 16 114.100 114.100 117.723 -3.623 18788 3836 1 6 . 1 1 16 16 LYS HA H 16 4.460 4.460 4.558 -0.098 18788 3837 1 6 . 1 1 16 16 LYS C C 16 174.000 174.000 174.117 -0.117 18788 3838 1 6 . 1 1 16 16 LYS CA C 16 56.600 56.600 55.027 1.573 18788 3839 1 6 . 1 1 16 16 LYS CB C 16 35.300 35.300 36.234 -0.934 18788 3840 1 6 . 1 1 16 16 LYS H H 16 8.050 8.050 8.069 -0.019 18788 3841 1 6 . 1 1 17 17 ALA N N 17 129.100 129.100 126.977 2.123 18788 3842 1 6 . 1 1 17 17 ALA HA H 17 4.480 4.480 4.314 0.166 18788 3843 1 6 . 1 1 17 17 ALA C C 17 175.700 175.700 176.573 -0.873 18788 3844 1 6 . 1 1 17 17 ALA CA C 17 52.300 52.300 52.285 0.015 18788 3845 1 6 . 1 1 17 17 ALA CB C 17 18.200 18.200 19.256 -1.056 18788 3846 1 6 . 1 1 17 17 ALA H H 17 9.470 9.470 8.824 0.646 18788 3847 1 6 . 1 1 18 18 ILE N N 18 123.500 123.500 122.898 0.602 18788 3848 1 6 . 1 1 18 18 ILE HA H 18 4.110 4.110 4.400 -0.290 18788 3849 1 6 . 1 1 18 18 ILE C C 18 175.100 175.100 176.582 -1.482 18788 3850 1 6 . 1 1 18 18 ILE CA C 18 63.200 63.200 61.683 1.517 18788 3851 1 6 . 1 1 18 18 ILE CB C 18 37.800 37.800 39.047 -1.247 18788 3852 1 6 . 1 1 18 18 ILE H H 18 8.070 8.070 8.594 -0.524 18788 3853 1 6 . 1 1 19 19 ASP N N 19 120.500 120.500 116.624 3.876 18788 3854 1 6 . 1 1 19 19 ASP HA H 19 4.730 4.730 4.846 -0.116 18788 3855 1 6 . 1 1 19 19 ASP C C 19 176.800 176.800 177.496 -0.696 18788 3856 1 6 . 1 1 19 19 ASP CA C 19 53.400 53.400 53.106 0.294 18788 3857 1 6 . 1 1 19 19 ASP CB C 19 40.100 40.100 42.946 -2.846 18788 3858 1 6 . 1 1 19 19 ASP H H 19 8.290 8.290 8.027 0.263 18788 3859 1 6 . 1 1 20 20 GLY N N 20 103.500 103.500 107.498 -3.998 18788 3860 1 6 . 1 1 20 20 GLY C C 20 173.300 173.300 175.326 -2.026 18788 3861 1 6 . 1 1 20 20 GLY CA C 20 47.700 47.700 47.578 0.122 18788 3862 1 6 . 1 1 20 20 GLY H H 20 8.460 8.460 8.650 -0.190 18788 3863 1 6 . 1 1 21 21 ASP N N 21 111.200 111.200 119.361 -8.161 18788 3864 1 6 . 1 1 21 21 ASP HA H 21 4.850 4.850 4.642 0.208 18788 3865 1 6 . 1 1 21 21 ASP C C 21 175.300 175.300 176.170 -0.870 18788 3866 1 6 . 1 1 21 21 ASP CA C 21 52.100 52.100 54.423 -2.323 18788 3867 1 6 . 1 1 21 21 ASP CB C 21 40.600 40.600 41.407 -0.807 18788 3868 1 6 . 1 1 21 21 ASP H H 21 7.640 7.640 8.430 -0.790 18788 3869 1 6 . 1 1 22 22 THR N N 22 113.200 113.200 118.305 -5.105 18788 3870 1 6 . 1 1 22 22 THR HA H 22 5.700 5.700 5.540 0.160 18788 3871 1 6 . 1 1 22 22 THR C C 22 174.000 174.000 174.180 -0.180 18788 3872 1 6 . 1 1 22 22 THR CA C 22 61.000 61.000 62.877 -1.877 18788 3873 1 6 . 1 1 22 22 THR CB C 22 71.800 71.800 69.573 2.227 18788 3874 1 6 . 1 1 22 22 THR H H 22 7.610 7.610 7.868 -0.258 18788 3875 1 6 . 1 1 23 23 VAL N N 23 118.000 118.000 121.176 -3.176 18788 3876 1 6 . 1 1 23 23 VAL HA H 23 4.620 4.620 4.764 -0.144 18788 3877 1 6 . 1 1 23 23 VAL C C 23 172.100 172.100 173.376 -1.276 18788 3878 1 6 . 1 1 23 23 VAL CA C 23 60.100 60.100 60.005 0.095 18788 3879 1 6 . 1 1 23 23 VAL CB C 23 36.200 36.200 35.445 0.755 18788 3880 1 6 . 1 1 23 23 VAL H H 23 8.910 8.910 8.882 0.028 18788 3881 1 6 . 1 1 24 24 LYS N N 24 127.000 127.000 124.933 2.067 18788 3882 1 6 . 1 1 24 24 LYS HA H 24 5.440 5.440 5.107 0.333 18788 3883 1 6 . 1 1 24 24 LYS C C 24 175.200 175.200 175.136 0.064 18788 3884 1 6 . 1 1 24 24 LYS CA C 24 55.600 55.600 54.980 0.620 18788 3885 1 6 . 1 1 24 24 LYS CB C 24 34.400 34.400 33.890 0.510 18788 3886 1 6 . 1 1 24 24 LYS H H 24 9.470 9.470 9.028 0.442 18788 3887 1 6 . 1 1 25 25 LEU N N 25 127.000 127.000 122.894 4.106 18788 3888 1 6 . 1 1 25 25 LEU HA H 25 5.210 5.210 5.024 0.186 18788 3889 1 6 . 1 1 25 25 LEU C C 25 174.500 174.500 175.049 -0.549 18788 3890 1 6 . 1 1 25 25 LEU CA C 25 53.100 53.100 52.848 0.252 18788 3891 1 6 . 1 1 25 25 LEU CB C 25 45.500 45.500 44.902 0.598 18788 3892 1 6 . 1 1 25 25 LEU H H 25 9.380 9.380 8.846 0.534 18788 3893 1 6 . 1 1 26 26 MET N N 26 122.000 122.000 119.863 2.137 18788 3894 1 6 . 1 1 26 26 MET HA H 26 4.880 4.880 4.853 0.027 18788 3895 1 6 . 1 1 26 26 MET C C 26 175.100 175.100 174.551 0.549 18788 3896 1 6 . 1 1 26 26 MET CA C 26 54.700 54.700 55.347 -0.647 18788 3897 1 6 . 1 1 26 26 MET CB C 26 31.400 31.400 33.320 -1.920 18788 3898 1 6 . 1 1 26 26 MET H H 26 9.530 9.530 8.959 0.571 18788 3899 1 6 . 1 1 27 27 TYR N N 27 129.600 129.600 129.667 -0.067 18788 3900 1 6 . 1 1 27 27 TYR HA H 27 5.050 5.050 4.887 0.163 18788 3901 1 6 . 1 1 27 27 TYR C C 27 173.900 173.900 175.034 -1.134 18788 3902 1 6 . 1 1 27 27 TYR CA C 27 57.000 57.000 56.660 0.341 18788 3903 1 6 . 1 1 27 27 TYR CB C 27 41.700 41.700 39.426 2.274 18788 3904 1 6 . 1 1 27 27 TYR H H 27 9.040 9.040 9.429 -0.389 18788 3905 1 6 . 1 1 28 28 LYS N N 28 127.600 127.600 128.355 -0.755 18788 3906 1 6 . 1 1 28 28 LYS HA H 28 3.590 3.590 3.757 -0.167 18788 3907 1 6 . 1 1 28 28 LYS C C 28 176.900 176.900 176.077 0.823 18788 3908 1 6 . 1 1 28 28 LYS CA C 28 57.100 57.100 56.826 0.274 18788 3909 1 6 . 1 1 28 28 LYS CB C 28 29.700 29.700 30.172 -0.472 18788 3910 1 6 . 1 1 28 28 LYS H H 28 9.310 9.310 9.319 -0.009 18788 3911 1 6 . 1 1 29 29 GLY N N 29 102.400 102.400 102.259 0.141 18788 3912 1 6 . 1 1 29 29 GLY C C 29 173.600 173.600 174.144 -0.544 18788 3913 1 6 . 1 1 29 29 GLY CA C 29 45.600 45.600 44.983 0.617 18788 3914 1 6 . 1 1 29 29 GLY H H 29 8.450 8.450 8.626 -0.176 18788 3915 1 6 . 1 1 30 30 GLN N N 30 119.300 119.300 118.843 0.457 18788 3916 1 6 . 1 1 30 30 GLN HA H 30 5.030 5.030 4.886 0.144 18788 3917 1 6 . 1 1 30 30 GLN C C 30 173.200 173.200 173.171 0.029 18788 3918 1 6 . 1 1 30 30 GLN CA C 30 52.200 52.200 52.026 0.174 18788 3919 1 6 . 1 1 30 30 GLN CB C 30 31.200 31.200 29.233 1.967 18788 3920 1 6 . 1 1 30 30 GLN H H 30 7.820 7.820 7.747 0.073 18788 3921 1 6 . 1 1 31 31 PRO HA H 31 4.880 4.880 4.968 -0.088 18788 3922 1 6 . 1 1 31 31 PRO C C 31 177.400 177.400 176.110 1.290 18788 3923 1 6 . 1 1 31 31 PRO CA C 31 62.600 62.600 63.033 -0.433 18788 3924 1 6 . 1 1 31 31 PRO CB C 31 31.900 31.900 32.191 -0.291 18788 3925 1 6 . 1 1 32 32 MET N N 32 125.700 125.700 126.539 -0.839 18788 3926 1 6 . 1 1 32 32 MET HA H 32 4.670 4.670 4.806 -0.136 18788 3927 1 6 . 1 1 32 32 MET C C 32 174.600 174.600 174.270 0.330 18788 3928 1 6 . 1 1 32 32 MET CA C 32 55.800 55.800 54.886 0.914 18788 3929 1 6 . 1 1 32 32 MET CB C 32 37.200 37.200 37.143 0.057 18788 3930 1 6 . 1 1 32 32 MET H H 32 9.570 9.570 9.359 0.211 18788 3931 1 6 . 1 1 33 33 THR N N 33 123.600 123.600 122.988 0.612 18788 3932 1 6 . 1 1 33 33 THR HA H 33 4.510 4.510 5.053 -0.543 18788 3933 1 6 . 1 1 33 33 THR C C 33 173.100 173.100 174.142 -1.042 18788 3934 1 6 . 1 1 33 33 THR CA C 33 64.300 64.300 62.823 1.477 18788 3935 1 6 . 1 1 33 33 THR CB C 33 68.800 68.800 69.268 -0.468 18788 3936 1 6 . 1 1 33 33 THR H H 33 8.990 8.990 8.961 0.029 18788 3937 1 6 . 1 1 34 34 PHE N N 34 126.100 126.100 127.172 -1.072 18788 3938 1 6 . 1 1 34 34 PHE HA H 34 4.890 4.890 5.090 -0.200 18788 3939 1 6 . 1 1 34 34 PHE C C 34 173.400 173.400 174.171 -0.771 18788 3940 1 6 . 1 1 34 34 PHE CA C 34 57.300 57.300 57.222 0.078 18788 3941 1 6 . 1 1 34 34 PHE CB C 34 41.900 41.900 40.819 1.081 18788 3942 1 6 . 1 1 34 34 PHE H H 34 9.610 9.610 9.638 -0.028 18788 3943 1 6 . 1 1 35 35 ARG N N 35 124.200 124.200 124.065 0.135 18788 3944 1 6 . 1 1 35 35 ARG HA H 35 5.080 5.080 5.168 -0.088 18788 3945 1 6 . 1 1 35 35 ARG C C 35 174.600 174.600 175.329 -0.729 18788 3946 1 6 . 1 1 35 35 ARG CA C 35 52.100 52.100 55.181 -3.081 18788 3947 1 6 . 1 1 35 35 ARG CB C 35 33.600 33.600 34.588 -0.988 18788 3948 1 6 . 1 1 35 35 ARG H H 35 9.640 9.640 8.109 1.531 18788 3949 1 6 . 1 1 38 38 LEU HA H 38 4.330 4.330 4.514 -0.184 18788 3950 1 6 . 1 1 38 38 LEU C C 38 175.200 175.200 175.850 -0.650 18788 3951 1 6 . 1 1 38 38 LEU CA C 38 56.600 56.600 54.171 2.429 18788 3952 1 6 . 1 1 38 38 LEU CB C 38 40.100 40.100 42.252 -2.152 18788 3953 1 6 . 1 1 39 39 VAL N N 39 104.500 104.500 112.439 -7.939 18788 3954 1 6 . 1 1 39 39 VAL HA H 39 5.580 5.580 4.957 0.623 18788 3955 1 6 . 1 1 39 39 VAL C C 39 175.600 175.600 173.501 2.099 18788 3956 1 6 . 1 1 39 39 VAL CA C 39 57.800 57.800 58.833 -1.033 18788 3957 1 6 . 1 1 39 39 VAL CB C 39 36.400 36.400 36.367 0.033 18788 3958 1 6 . 1 1 39 39 VAL H H 39 6.920 6.920 7.015 -0.095 18788 3959 1 6 . 1 1 40 40 ASP N N 40 121.500 121.500 120.634 0.866 18788 3960 1 6 . 1 1 40 40 ASP HA H 40 5.260 5.260 5.236 0.024 18788 3961 1 6 . 1 1 40 40 ASP C C 40 174.600 174.600 175.963 -1.363 18788 3962 1 6 . 1 1 40 40 ASP CA C 40 54.100 54.100 52.940 1.160 18788 3963 1 6 . 1 1 40 40 ASP CB C 40 44.100 44.100 43.924 0.176 18788 3964 1 6 . 1 1 40 40 ASP H H 40 8.880 8.880 9.024 -0.144 18788 3965 1 6 . 1 1 41 41 THR N N 41 118.700 118.700 116.764 1.936 18788 3966 1 6 . 1 1 41 41 THR HA H 41 5.020 5.020 4.836 0.184 18788 3967 1 6 . 1 1 41 41 THR CA C 41 58.300 58.300 59.185 -0.885 18788 3968 1 6 . 1 1 41 41 THR CB C 41 68.900 68.900 68.882 0.018 18788 3969 1 6 . 1 1 41 41 THR H H 41 8.520 8.520 9.151 -0.631 18788 3970 1 6 . 1 1 42 42 PRO HA H 42 4.440 4.440 4.413 0.027 18788 3971 1 6 . 1 1 42 42 PRO CA C 42 62.200 62.200 63.126 -0.926 18788 3972 1 6 . 1 1 42 42 PRO CB C 42 32.300 32.300 31.215 1.085 18788 3973 1 6 . 1 1 50 50 GLY C C 50 179.800 179.800 174.252 5.548 18788 3974 1 6 . 1 1 51 51 VAL N N 51 119.200 119.200 121.125 -1.925 18788 3975 1 6 . 1 1 51 51 VAL HA H 51 4.160 4.160 3.806 0.354 18788 3976 1 6 . 1 1 51 51 VAL C C 51 178.600 178.600 174.918 3.682 18788 3977 1 6 . 1 1 51 51 VAL CA C 51 63.500 63.500 63.136 0.364 18788 3978 1 6 . 1 1 51 51 VAL H H 51 7.820 7.820 8.001 -0.181 18788 3979 1 6 . 1 1 54 54 TYR C C 54 176.300 176.300 174.151 2.149 18788 3980 1 6 . 1 1 55 55 GLY N N 55 108.900 108.900 110.723 -1.823 18788 3981 1 6 . 1 1 55 55 GLY C C 55 174.300 174.300 173.200 1.100 18788 3982 1 6 . 1 1 55 55 GLY CA C 55 48.400 48.400 43.007 5.393 18788 3983 1 6 . 1 1 55 55 GLY H H 55 8.810 8.810 8.726 0.084 18788 3984 1 6 . 1 1 57 57 GLU HA H 57 4.010 4.010 4.459 -0.449 18788 3985 1 6 . 1 1 57 57 GLU C C 57 179.500 179.500 177.102 2.398 18788 3986 1 6 . 1 1 57 57 GLU CA C 57 61.700 61.700 53.972 7.728 18788 3987 1 6 . 1 1 58 58 ALA N N 58 125.000 125.000 122.135 2.865 18788 3988 1 6 . 1 1 58 58 ALA HA H 58 4.170 4.170 4.032 0.138 18788 3989 1 6 . 1 1 58 58 ALA C C 58 178.700 178.700 179.632 -0.932 18788 3990 1 6 . 1 1 58 58 ALA CA C 58 55.800 55.800 55.406 0.394 18788 3991 1 6 . 1 1 58 58 ALA CB C 58 18.200 18.200 18.603 -0.403 18788 3992 1 6 . 1 1 58 58 ALA H H 58 8.940 8.940 8.803 0.137 18788 3993 1 6 . 1 1 59 59 SER N N 59 111.900 111.900 115.876 -3.976 18788 3994 1 6 . 1 1 59 59 SER HA H 59 3.740 3.740 4.316 -0.576 18788 3995 1 6 . 1 1 59 59 SER C C 59 177.100 177.100 176.773 0.327 18788 3996 1 6 . 1 1 59 59 SER CA C 59 62.000 62.000 62.114 -0.114 18788 3997 1 6 . 1 1 59 59 SER CB C 59 62.900 62.900 62.987 -0.087 18788 3998 1 6 . 1 1 59 59 SER H H 59 8.340 8.340 8.757 -0.417 18788 3999 1 6 . 1 1 60 60 ALA N N 60 122.900 122.900 124.579 -1.679 18788 4000 1 6 . 1 1 60 60 ALA HA H 60 4.070 4.070 4.032 0.038 18788 4001 1 6 . 1 1 60 60 ALA C C 60 179.100 179.100 178.926 0.174 18788 4002 1 6 . 1 1 60 60 ALA CA C 60 55.100 55.100 54.930 0.170 18788 4003 1 6 . 1 1 60 60 ALA CB C 60 18.200 18.200 18.434 -0.234 18788 4004 1 6 . 1 1 60 60 ALA H H 60 8.440 8.440 8.854 -0.414 18788 4005 1 6 . 1 1 61 61 PHE N N 61 121.700 121.700 119.225 2.475 18788 4006 1 6 . 1 1 61 61 PHE HA H 61 4.050 4.050 4.168 -0.118 18788 4007 1 6 . 1 1 61 61 PHE C C 61 178.100 178.100 177.259 0.841 18788 4008 1 6 . 1 1 61 61 PHE CA C 61 61.800 61.800 61.769 0.031 18788 4009 1 6 . 1 1 61 61 PHE CB C 61 39.800 39.800 39.347 0.453 18788 4010 1 6 . 1 1 61 61 PHE H H 61 8.190 8.190 7.991 0.199 18788 4011 1 6 . 1 1 62 62 THR N N 62 120.200 120.200 116.314 3.886 18788 4012 1 6 . 1 1 62 62 THR HA H 62 3.560 3.560 3.925 -0.365 18788 4013 1 6 . 1 1 62 62 THR C C 62 175.300 175.300 176.521 -1.221 18788 4014 1 6 . 1 1 62 62 THR CA C 62 67.600 67.600 66.996 0.604 18788 4015 1 6 . 1 1 62 62 THR CB C 62 68.400 68.400 68.424 -0.024 18788 4016 1 6 . 1 1 62 62 THR H H 62 8.540 8.540 8.324 0.216 18788 4017 1 6 . 1 1 63 63 LYS N N 63 120.000 120.000 121.906 -1.906 18788 4018 1 6 . 1 1 63 63 LYS HA H 63 3.560 3.560 3.861 -0.301 18788 4019 1 6 . 1 1 63 63 LYS C C 63 176.800 176.800 178.737 -1.937 18788 4020 1 6 . 1 1 63 63 LYS CA C 63 60.400 60.400 59.971 0.429 18788 4021 1 6 . 1 1 63 63 LYS CB C 63 33.300 33.300 32.474 0.826 18788 4022 1 6 . 1 1 63 63 LYS H H 63 7.910 7.910 8.382 -0.472 18788 4023 1 6 . 1 1 64 64 LYS N N 64 117.200 117.200 117.797 -0.597 18788 4024 1 6 . 1 1 64 64 LYS HA H 64 3.940 3.940 3.988 -0.048 18788 4025 1 6 . 1 1 64 64 LYS C C 64 178.700 178.700 179.131 -0.431 18788 4026 1 6 . 1 1 64 64 LYS CA C 64 59.200 59.200 59.611 -0.411 18788 4027 1 6 . 1 1 64 64 LYS CB C 64 31.900 31.900 32.443 -0.543 18788 4028 1 6 . 1 1 64 64 LYS H H 64 8.000 8.000 7.793 0.207 18788 4029 1 6 . 1 1 65 65 MET N N 65 116.200 116.200 117.533 -1.333 18788 4030 1 6 . 1 1 65 65 MET HA H 65 3.890 3.890 4.101 -0.211 18788 4031 1 6 . 1 1 65 65 MET C C 65 179.200 179.200 178.188 1.012 18788 4032 1 6 . 1 1 65 65 MET CA C 65 59.800 59.800 58.649 1.151 18788 4033 1 6 . 1 1 65 65 MET CB C 65 32.200 32.200 32.511 -0.311 18788 4034 1 6 . 1 1 65 65 MET H H 65 7.680 7.680 7.681 -0.001 18788 4035 1 6 . 1 1 66 66 VAL N N 66 107.700 107.700 113.488 -5.788 18788 4036 1 6 . 1 1 66 66 VAL HA H 66 4.150 4.150 3.980 0.170 18788 4037 1 6 . 1 1 66 66 VAL C C 66 177.500 177.500 177.569 -0.069 18788 4038 1 6 . 1 1 66 66 VAL CA C 66 64.300 64.300 64.515 -0.215 18788 4039 1 6 . 1 1 66 66 VAL CB C 66 31.100 31.100 31.559 -0.459 18788 4040 1 6 . 1 1 66 66 VAL H H 66 8.220 8.220 8.123 0.097 18788 4041 1 6 . 1 1 67 67 GLU N N 67 121.000 121.000 118.764 2.236 18788 4042 1 6 . 1 1 67 67 GLU HA H 67 3.960 3.960 4.161 -0.201 18788 4043 1 6 . 1 1 67 67 GLU C C 67 178.000 178.000 177.641 0.359 18788 4044 1 6 . 1 1 67 67 GLU CA C 67 59.200 59.200 58.396 0.804 18788 4045 1 6 . 1 1 67 67 GLU CB C 67 29.100 29.100 29.977 -0.878 18788 4046 1 6 . 1 1 67 67 GLU H H 67 8.750 8.750 7.951 0.799 18788 4047 1 6 . 1 1 68 68 ASN N N 68 113.400 113.400 115.964 -2.564 18788 4048 1 6 . 1 1 68 68 ASN HA H 68 4.660 4.660 4.715 -0.055 18788 4049 1 6 . 1 1 68 68 ASN C C 68 174.600 174.600 174.364 0.236 18788 4050 1 6 . 1 1 68 68 ASN CA C 68 53.400 53.400 53.535 -0.135 18788 4051 1 6 . 1 1 68 68 ASN CB C 68 38.900 38.900 38.964 -0.064 18788 4052 1 6 . 1 1 68 68 ASN H H 68 7.400 7.400 8.060 -0.660 18788 4053 1 6 . 1 1 69 69 ALA N N 69 121.100 121.100 121.611 -0.511 18788 4054 1 6 . 1 1 69 69 ALA HA H 69 4.490 4.490 4.214 0.276 18788 4055 1 6 . 1 1 69 69 ALA C C 69 177.800 177.800 177.586 0.214 18788 4056 1 6 . 1 1 69 69 ALA CA C 69 51.400 51.400 52.181 -0.781 18788 4057 1 6 . 1 1 69 69 ALA CB C 69 19.200 19.200 19.425 -0.226 18788 4058 1 6 . 1 1 69 69 ALA H H 69 6.680 6.680 6.961 -0.281 18788 4059 1 6 . 1 1 70 70 LYS N N 70 125.700 125.700 121.724 3.976 18788 4060 1 6 . 1 1 70 70 LYS HA H 70 4.370 4.370 4.199 0.171 18788 4061 1 6 . 1 1 70 70 LYS C C 70 177.800 177.800 177.013 0.787 18788 4062 1 6 . 1 1 70 70 LYS CA C 70 57.800 57.800 57.353 0.447 18788 4063 1 6 . 1 1 70 70 LYS CB C 70 32.000 32.000 32.894 -0.894 18788 4064 1 6 . 1 1 70 70 LYS H H 70 10.130 10.130 9.104 1.026 18788 4065 1 6 . 1 1 71 71 LYS N N 71 121.300 121.300 115.840 5.460 18788 4066 1 6 . 1 1 71 71 LYS HA H 71 4.660 4.660 4.573 0.087 18788 4067 1 6 . 1 1 71 71 LYS C C 71 174.600 174.600 174.091 0.509 18788 4068 1 6 . 1 1 71 71 LYS CA C 71 55.500 55.500 55.259 0.241 18788 4069 1 6 . 1 1 71 71 LYS CB C 71 35.400 35.400 35.742 -0.342 18788 4070 1 6 . 1 1 71 71 LYS H H 71 8.920 8.920 7.372 1.548 18788 4071 1 6 . 1 1 72 72 ILE N N 72 128.900 128.900 122.881 6.019 18788 4072 1 6 . 1 1 72 72 ILE HA H 72 5.240 5.240 5.163 0.077 18788 4073 1 6 . 1 1 72 72 ILE C C 72 175.300 175.300 174.671 0.629 18788 4074 1 6 . 1 1 72 72 ILE CA C 72 58.700 58.700 60.072 -1.372 18788 4075 1 6 . 1 1 72 72 ILE CB C 72 38.100 38.100 40.741 -2.641 18788 4076 1 6 . 1 1 72 72 ILE H H 72 8.960 8.960 8.306 0.654 18788 4077 1 6 . 1 1 73 73 GLU N N 73 123.100 123.100 126.639 -3.539 18788 4078 1 6 . 1 1 73 73 GLU HA H 73 5.240 5.240 5.276 -0.036 18788 4079 1 6 . 1 1 73 73 GLU C C 73 174.900 174.900 175.448 -0.548 18788 4080 1 6 . 1 1 73 73 GLU CA C 73 53.600 53.600 54.339 -0.739 18788 4081 1 6 . 1 1 73 73 GLU CB C 73 36.200 36.200 33.259 2.941 18788 4082 1 6 . 1 1 73 73 GLU H H 73 8.810 8.810 9.042 -0.232 18788 4083 1 6 . 1 1 74 74 VAL N N 74 117.300 117.300 119.135 -1.835 18788 4084 1 6 . 1 1 74 74 VAL HA H 74 4.550 4.550 4.733 -0.183 18788 4085 1 6 . 1 1 74 74 VAL C C 74 174.000 174.000 174.299 -0.299 18788 4086 1 6 . 1 1 74 74 VAL CA C 74 59.500 59.500 59.934 -0.434 18788 4087 1 6 . 1 1 74 74 VAL CB C 74 34.200 34.200 33.171 1.029 18788 4088 1 6 . 1 1 74 74 VAL H H 74 9.510 9.510 9.023 0.487 18788 4089 1 6 . 1 1 75 75 GLU N N 75 126.900 126.900 128.244 -1.344 18788 4090 1 6 . 1 1 75 75 GLU HA H 75 5.160 5.160 5.108 0.052 18788 4091 1 6 . 1 1 75 75 GLU C C 75 175.600 175.600 175.598 0.002 18788 4092 1 6 . 1 1 75 75 GLU CA C 75 54.500 54.500 53.858 0.643 18788 4093 1 6 . 1 1 75 75 GLU CB C 75 35.900 35.900 32.212 3.688 18788 4094 1 6 . 1 1 75 75 GLU H H 75 8.860 8.860 9.083 -0.223 18788 4095 1 6 . 1 1 76 76 PHE N N 76 126.400 126.400 126.899 -0.499 18788 4096 1 6 . 1 1 76 76 PHE HA H 76 4.740 4.740 4.829 -0.089 18788 4097 1 6 . 1 1 76 76 PHE C C 76 175.600 175.600 175.995 -0.395 18788 4098 1 6 . 1 1 76 76 PHE CA C 76 59.500 59.500 58.855 0.645 18788 4099 1 6 . 1 1 76 76 PHE CB C 76 39.700 39.700 39.984 -0.284 18788 4100 1 6 . 1 1 76 76 PHE H H 76 8.770 8.770 8.293 0.477 18788 4101 1 6 . 1 1 77 77 ASP N N 77 123.000 123.000 122.568 0.432 18788 4102 1 6 . 1 1 77 77 ASP HA H 77 5.310 5.310 4.940 0.370 18788 4103 1 6 . 1 1 77 77 ASP C C 77 177.600 177.600 176.522 1.078 18788 4104 1 6 . 1 1 77 77 ASP CA C 77 51.800 51.800 54.205 -2.405 18788 4105 1 6 . 1 1 77 77 ASP CB C 77 42.900 42.900 43.588 -0.688 18788 4106 1 6 . 1 1 77 77 ASP H H 77 9.310 9.310 8.854 0.456 18788 4107 1 6 . 1 1 78 78 LYS N N 78 119.100 119.100 118.671 0.429 18788 4108 1 6 . 1 1 78 78 LYS HA H 78 4.240 4.240 4.460 -0.220 18788 4109 1 6 . 1 1 78 78 LYS C C 78 177.100 177.100 176.093 1.007 18788 4110 1 6 . 1 1 78 78 LYS CA C 78 57.700 57.700 57.339 0.361 18788 4111 1 6 . 1 1 78 78 LYS CB C 78 33.400 33.400 32.145 1.256 18788 4112 1 6 . 1 1 78 78 LYS H H 78 10.360 10.360 8.723 1.637 18788 4113 1 6 . 1 1 79 79 GLY N N 79 111.100 111.100 109.161 1.939 18788 4114 1 6 . 1 1 79 79 GLY C C 79 173.600 173.600 173.507 0.093 18788 4115 1 6 . 1 1 79 79 GLY CA C 79 44.500 44.500 44.223 0.277 18788 4116 1 6 . 1 1 79 79 GLY H H 79 8.680 8.680 7.709 0.971 18788 4117 1 6 . 1 1 80 80 GLN N N 80 124.800 124.800 120.729 4.071 18788 4118 1 6 . 1 1 80 80 GLN HA H 80 4.140 4.140 4.303 -0.163 18788 4119 1 6 . 1 1 80 80 GLN C C 80 176.900 176.900 175.938 0.962 18788 4120 1 6 . 1 1 80 80 GLN CA C 80 57.200 57.200 56.212 0.988 18788 4121 1 6 . 1 1 80 80 GLN CB C 80 29.200 29.200 29.389 -0.189 18788 4122 1 6 . 1 1 80 80 GLN H H 80 8.800 8.800 8.319 0.481 18788 4123 1 6 . 1 1 81 81 ARG N N 81 120.700 120.700 122.155 -1.455 18788 4124 1 6 . 1 1 81 81 ARG HA H 81 4.620 4.620 4.269 0.351 18788 4125 1 6 . 1 1 81 81 ARG C C 81 176.200 176.200 175.257 0.943 18788 4126 1 6 . 1 1 81 81 ARG CA C 81 57.500 57.500 58.187 -0.687 18788 4127 1 6 . 1 1 81 81 ARG CB C 81 32.000 32.000 30.886 1.114 18788 4128 1 6 . 1 1 81 81 ARG H H 81 8.640 8.640 8.668 -0.028 18788 4129 1 6 . 1 1 82 82 THR N N 82 107.900 107.900 107.298 0.602 18788 4130 1 6 . 1 1 82 82 THR HA H 82 5.540 5.540 4.953 0.587 18788 4131 1 6 . 1 1 82 82 THR C C 82 174.600 174.600 173.769 0.831 18788 4132 1 6 . 1 1 82 82 THR CA C 82 58.400 58.400 59.808 -1.408 18788 4133 1 6 . 1 1 82 82 THR CB C 82 72.500 72.500 71.506 0.994 18788 4134 1 6 . 1 1 82 82 THR H H 82 7.300 7.300 7.365 -0.065 18788 4135 1 6 . 1 1 83 83 ASP N N 83 121.300 121.300 121.326 -0.026 18788 4136 1 6 . 1 1 83 83 ASP HA H 83 4.660 4.660 4.509 0.151 18788 4137 1 6 . 1 1 83 83 ASP C C 83 179.000 179.000 178.338 0.662 18788 4138 1 6 . 1 1 83 83 ASP CA C 83 51.700 51.700 53.141 -1.441 18788 4139 1 6 . 1 1 83 83 ASP CB C 83 42.100 42.100 43.017 -0.917 18788 4140 1 6 . 1 1 83 83 ASP H H 83 8.590 8.590 8.812 -0.222 18788 4141 1 6 . 1 1 85 85 TYR N N 85 119.300 119.300 118.626 0.674 18788 4142 1 6 . 1 1 85 85 TYR HA H 85 4.600 4.600 4.533 0.067 18788 4143 1 6 . 1 1 85 85 TYR C C 85 176.100 176.100 175.521 0.579 18788 4144 1 6 . 1 1 85 85 TYR CA C 85 57.100 57.100 56.693 0.407 18788 4145 1 6 . 1 1 85 85 TYR CB C 85 37.900 37.900 38.025 -0.125 18788 4146 1 6 . 1 1 85 85 TYR H H 85 7.650 7.650 8.276 -0.626 18788 4147 1 6 . 1 1 86 86 GLY N N 86 108.500 108.500 108.250 0.250 18788 4148 1 6 . 1 1 86 86 GLY C C 86 174.400 174.400 174.115 0.285 18788 4149 1 6 . 1 1 86 86 GLY CA C 86 45.400 45.400 45.247 0.153 18788 4150 1 6 . 1 1 86 86 GLY H H 86 8.120 8.120 7.877 0.243 18788 4151 1 6 . 1 1 87 87 ARG N N 87 121.600 121.600 119.273 2.327 18788 4152 1 6 . 1 1 87 87 ARG HA H 87 4.430 4.430 4.958 -0.528 18788 4153 1 6 . 1 1 87 87 ARG C C 87 177.000 177.000 176.601 0.399 18788 4154 1 6 . 1 1 87 87 ARG CA C 87 55.300 55.300 53.261 2.039 18788 4155 1 6 . 1 1 87 87 ARG CB C 87 30.000 30.000 30.699 -0.699 18788 4156 1 6 . 1 1 87 87 ARG H H 87 8.600 8.600 7.290 1.310 18788 4157 1 6 . 1 1 88 88 GLY N N 88 108.000 108.000 110.053 -2.053 18788 4158 1 6 . 1 1 88 88 GLY C C 88 171.800 171.800 172.660 -0.860 18788 4159 1 6 . 1 1 88 88 GLY CA C 88 44.800 44.800 44.323 0.477 18788 4160 1 6 . 1 1 88 88 GLY H H 88 8.780 8.780 8.658 0.122 18788 4161 1 6 . 1 1 89 89 LEU N N 89 125.100 125.100 124.266 0.834 18788 4162 1 6 . 1 1 89 89 LEU HA H 89 5.190 5.190 4.664 0.526 18788 4163 1 6 . 1 1 89 89 LEU C C 89 174.800 174.800 175.084 -0.284 18788 4164 1 6 . 1 1 89 89 LEU CA C 89 52.800 52.800 53.901 -1.101 18788 4165 1 6 . 1 1 89 89 LEU CB C 89 42.900 42.900 41.711 1.189 18788 4166 1 6 . 1 1 89 89 LEU H H 89 8.220 8.220 8.632 -0.412 18788 4167 1 6 . 1 1 90 90 ALA N N 90 119.900 119.900 124.295 -4.395 18788 4168 1 6 . 1 1 90 90 ALA HA H 90 4.790 4.790 4.633 0.157 18788 4169 1 6 . 1 1 90 90 ALA C C 90 177.000 177.000 175.555 1.445 18788 4170 1 6 . 1 1 90 90 ALA CA C 90 50.800 50.800 50.565 0.235 18788 4171 1 6 . 1 1 90 90 ALA CB C 90 23.700 23.700 22.126 1.574 18788 4172 1 6 . 1 1 90 90 ALA H H 90 7.400 7.400 8.012 -0.612 18788 4173 1 6 . 1 1 91 91 TYR N N 91 122.400 122.400 118.720 3.680 18788 4174 1 6 . 1 1 91 91 TYR HA H 91 4.650 4.650 4.747 -0.097 18788 4175 1 6 . 1 1 91 91 TYR C C 91 174.600 174.600 175.632 -1.032 18788 4176 1 6 . 1 1 91 91 TYR CA C 91 57.200 57.200 57.759 -0.559 18788 4177 1 6 . 1 1 91 91 TYR CB C 91 37.600 37.600 39.128 -1.528 18788 4178 1 6 . 1 1 91 91 TYR H H 91 9.000 9.000 8.897 0.103 18788 4179 1 6 . 1 1 92 92 ILE N N 92 122.200 122.200 124.195 -1.995 18788 4180 1 6 . 1 1 92 92 ILE HA H 92 4.950 4.950 4.646 0.304 18788 4181 1 6 . 1 1 92 92 ILE C C 92 173.700 173.700 175.139 -1.439 18788 4182 1 6 . 1 1 92 92 ILE CA C 92 58.700 58.700 60.443 -1.743 18788 4183 1 6 . 1 1 92 92 ILE CB C 92 38.900 38.900 39.490 -0.590 18788 4184 1 6 . 1 1 92 92 ILE H H 92 7.830 7.830 9.354 -1.524 18788 4185 1 6 . 1 1 93 93 TYR N N 93 126.200 126.200 126.877 -0.677 18788 4186 1 6 . 1 1 93 93 TYR HA H 93 5.080 5.080 5.263 -0.183 18788 4187 1 6 . 1 1 93 93 TYR C C 93 173.900 173.900 174.736 -0.836 18788 4188 1 6 . 1 1 93 93 TYR CA C 93 56.500 56.500 55.937 0.563 18788 4189 1 6 . 1 1 93 93 TYR CB C 93 41.500 41.500 40.278 1.222 18788 4190 1 6 . 1 1 93 93 TYR H H 93 9.540 9.540 9.392 0.148 18788 4191 1 6 . 1 1 94 94 ALA N N 94 125.700 125.700 126.553 -0.853 18788 4192 1 6 . 1 1 94 94 ALA HA H 94 4.960 4.960 4.602 0.358 18788 4193 1 6 . 1 1 94 94 ALA C C 94 175.700 175.700 177.177 -1.477 18788 4194 1 6 . 1 1 94 94 ALA CA C 94 49.700 49.700 50.270 -0.570 18788 4195 1 6 . 1 1 94 94 ALA CB C 94 20.900 20.900 19.916 0.984 18788 4196 1 6 . 1 1 94 94 ALA H H 94 9.230 9.230 9.215 0.015 18788 4197 1 6 . 1 1 95 95 ASP N N 95 127.600 127.600 125.758 1.842 18788 4198 1 6 . 1 1 95 95 ASP HA H 95 4.430 4.430 4.297 0.133 18788 4199 1 6 . 1 1 95 95 ASP C C 95 176.100 176.100 176.115 -0.015 18788 4200 1 6 . 1 1 95 95 ASP CA C 95 56.500 56.500 55.670 0.830 18788 4201 1 6 . 1 1 95 95 ASP CB C 95 39.500 39.500 40.494 -0.994 18788 4202 1 6 . 1 1 95 95 ASP H H 95 9.720 9.720 9.388 0.332 18788 4203 1 6 . 1 1 96 96 GLY N N 96 103.000 103.000 103.188 -0.188 18788 4204 1 6 . 1 1 96 96 GLY C C 96 173.800 173.800 174.182 -0.382 18788 4205 1 6 . 1 1 96 96 GLY CA C 96 45.400 45.400 45.160 0.240 18788 4206 1 6 . 1 1 96 96 GLY H H 96 9.420 9.420 8.693 0.727 18788 4207 1 6 . 1 1 97 97 LYS N N 97 121.400 121.400 122.108 -0.708 18788 4208 1 6 . 1 1 97 97 LYS HA H 97 4.670 4.670 4.637 0.033 18788 4209 1 6 . 1 1 97 97 LYS C C 97 176.000 176.000 176.040 -0.040 18788 4210 1 6 . 1 1 97 97 LYS CA C 97 54.200 54.200 54.553 -0.353 18788 4211 1 6 . 1 1 97 97 LYS CB C 97 33.100 33.100 33.532 -0.432 18788 4212 1 6 . 1 1 97 97 LYS H H 97 7.870 7.870 7.997 -0.127 18788 4213 1 6 . 1 1 98 98 MET N N 98 127.000 127.000 124.852 2.148 18788 4214 1 6 . 1 1 98 98 MET HA H 98 3.780 3.780 4.099 -0.319 18788 4215 1 6 . 1 1 98 98 MET C C 98 177.700 177.700 177.523 0.177 18788 4216 1 6 . 1 1 98 98 MET CA C 98 56.100 56.100 56.603 -0.503 18788 4217 1 6 . 1 1 98 98 MET CB C 98 34.700 34.700 31.962 2.738 18788 4218 1 6 . 1 1 98 98 MET H H 98 9.280 9.280 8.829 0.451 18788 4219 1 6 . 1 1 99 99 VAL N N 99 103.700 103.700 126.075 -22.375 18788 4220 1 6 . 1 1 99 99 VAL HA H 99 3.730 3.730 3.688 0.042 18788 4221 1 6 . 1 1 99 99 VAL C C 99 177.200 177.200 177.705 -0.505 18788 4222 1 6 . 1 1 99 99 VAL CA C 99 66.100 66.100 66.859 -0.759 18788 4223 1 6 . 1 1 99 99 VAL CB C 99 32.400 32.400 31.566 0.834 18788 4224 1 6 . 1 1 99 99 VAL H H 99 10.190 10.190 8.980 1.210 18788 4225 1 6 . 1 1 100 100 ASN N N 100 108.600 108.600 118.167 -9.567 18788 4226 1 6 . 1 1 100 100 ASN HA H 100 4.080 4.080 4.249 -0.169 18788 4227 1 6 . 1 1 100 100 ASN C C 100 174.200 174.200 177.314 -3.114 18788 4228 1 6 . 1 1 100 100 ASN CA C 100 57.200 57.200 57.244 -0.044 18788 4229 1 6 . 1 1 100 100 ASN CB C 100 34.700 34.700 37.775 -3.075 18788 4230 1 6 . 1 1 100 100 ASN H H 100 9.670 9.670 7.661 2.009 18788 4231 1 6 . 1 1 101 101 GLU N N 101 112.800 112.800 120.549 -7.749 18788 4232 1 6 . 1 1 101 101 GLU HA H 101 3.660 3.660 3.911 -0.251 18788 4233 1 6 . 1 1 101 101 GLU C C 101 176.100 176.100 177.988 -1.888 18788 4234 1 6 . 1 1 101 101 GLU CA C 101 59.800 59.800 59.678 0.122 18788 4235 1 6 . 1 1 101 101 GLU CB C 101 30.200 30.200 29.578 0.622 18788 4236 1 6 . 1 1 101 101 GLU H H 101 6.150 6.150 8.133 -1.983 18788 4237 1 6 . 1 1 102 102 ALA N N 102 122.600 122.600 122.605 -0.005 18788 4238 1 6 . 1 1 102 102 ALA HA H 102 4.070 4.070 4.095 -0.025 18788 4239 1 6 . 1 1 102 102 ALA C C 102 179.800 179.800 180.021 -0.221 18788 4240 1 6 . 1 1 102 102 ALA CA C 102 55.300 55.300 55.259 0.041 18788 4241 1 6 . 1 1 102 102 ALA CB C 102 17.900 17.900 18.433 -0.533 18788 4242 1 6 . 1 1 102 102 ALA H H 102 7.810 7.810 8.017 -0.207 18788 4243 1 6 . 1 1 103 103 LEU N N 103 116.100 116.100 118.219 -2.119 18788 4244 1 6 . 1 1 103 103 LEU HA H 103 3.280 3.280 3.672 -0.392 18788 4245 1 6 . 1 1 103 103 LEU C C 103 178.900 178.900 179.028 -0.128 18788 4246 1 6 . 1 1 103 103 LEU CA C 103 57.800 57.800 57.798 0.002 18788 4247 1 6 . 1 1 103 103 LEU CB C 103 45.500 45.500 41.601 3.899 18788 4248 1 6 . 1 1 103 103 LEU H H 103 8.070 8.070 8.569 -0.499 18788 4249 1 6 . 1 1 104 104 VAL N N 104 116.600 116.600 119.287 -2.687 18788 4250 1 6 . 1 1 104 104 VAL HA H 104 3.870 3.870 3.873 -0.003 18788 4251 1 6 . 1 1 104 104 VAL C C 104 180.300 180.300 178.928 1.372 18788 4252 1 6 . 1 1 104 104 VAL CA C 104 65.000 65.000 66.199 -1.199 18788 4253 1 6 . 1 1 104 104 VAL CB C 104 32.000 32.000 31.709 0.291 18788 4254 1 6 . 1 1 104 104 VAL H H 104 6.890 6.890 7.882 -0.992 18788 4255 1 6 . 1 1 105 105 ARG N N 105 122.400 122.400 117.525 4.875 18788 4256 1 6 . 1 1 105 105 ARG HA H 105 4.130 4.130 4.477 -0.347 18788 4257 1 6 . 1 1 105 105 ARG C C 105 176.000 176.000 177.738 -1.738 18788 4258 1 6 . 1 1 105 105 ARG CA C 105 57.000 57.000 56.825 0.175 18788 4259 1 6 . 1 1 105 105 ARG CB C 105 28.300 28.300 29.046 -0.746 18788 4260 1 6 . 1 1 105 105 ARG H H 105 9.140 9.140 8.452 0.688 18788 4261 1 6 . 1 1 106 106 GLN N N 106 112.000 112.000 118.736 -6.736 18788 4262 1 6 . 1 1 106 106 GLN HA H 106 4.320 4.320 4.308 0.012 18788 4263 1 6 . 1 1 106 106 GLN C C 106 175.600 175.600 175.794 -0.194 18788 4264 1 6 . 1 1 106 106 GLN CA C 106 53.800 53.800 54.791 -0.991 18788 4265 1 6 . 1 1 106 106 GLN CB C 106 28.300 28.300 29.550 -1.250 18788 4266 1 6 . 1 1 106 106 GLN H H 106 7.120 7.120 7.916 -0.796 18788 4267 1 6 . 1 1 107 107 GLY N N 107 107.100 107.100 107.147 -0.047 18788 4268 1 6 . 1 1 107 107 GLY C C 107 172.400 172.400 173.977 -1.577 18788 4269 1 6 . 1 1 107 107 GLY CA C 107 46.300 46.300 46.117 0.183 18788 4270 1 6 . 1 1 107 107 GLY H H 107 8.080 8.080 7.763 0.317 18788 4271 1 6 . 1 1 108 108 LEU N N 108 115.100 115.100 117.149 -2.049 18788 4272 1 6 . 1 1 108 108 LEU HA H 108 4.300 4.300 4.448 -0.148 18788 4273 1 6 . 1 1 108 108 LEU C C 108 172.500 172.500 174.496 -1.996 18788 4274 1 6 . 1 1 108 108 LEU CA C 108 53.300 53.300 53.802 -0.502 18788 4275 1 6 . 1 1 108 108 LEU CB C 108 43.500 43.500 42.994 0.506 18788 4276 1 6 . 1 1 108 108 LEU H H 108 7.810 7.810 8.632 -0.822 18788 4277 1 6 . 1 1 109 109 ALA N N 109 112.900 112.900 119.748 -6.848 18788 4278 1 6 . 1 1 109 109 ALA HA H 109 4.500 4.500 4.539 -0.039 18788 4279 1 6 . 1 1 109 109 ALA C C 109 174.800 174.800 175.153 -0.353 18788 4280 1 6 . 1 1 109 109 ALA CA C 109 49.900 49.900 50.907 -1.007 18788 4281 1 6 . 1 1 109 109 ALA CB C 109 24.900 24.900 21.949 2.951 18788 4282 1 6 . 1 1 109 109 ALA H H 109 6.950 6.950 7.358 -0.408 18788 4283 1 6 . 1 1 110 110 LYS N N 110 117.700 117.700 119.965 -2.265 18788 4284 1 6 . 1 1 110 110 LYS HA H 110 5.120 5.120 4.948 0.172 18788 4285 1 6 . 1 1 110 110 LYS C C 110 175.800 175.800 175.940 -0.140 18788 4286 1 6 . 1 1 110 110 LYS CA C 110 53.800 53.800 54.647 -0.847 18788 4287 1 6 . 1 1 110 110 LYS CB C 110 35.300 35.300 34.648 0.652 18788 4288 1 6 . 1 1 110 110 LYS H H 110 7.890 7.890 8.202 -0.312 18788 4289 1 6 . 1 1 111 111 VAL N N 111 123.100 123.100 123.435 -0.335 18788 4290 1 6 . 1 1 111 111 VAL HA H 111 4.630 4.630 4.127 0.503 18788 4291 1 6 . 1 1 111 111 VAL C C 111 176.500 176.500 175.633 0.867 18788 4292 1 6 . 1 1 111 111 VAL CA C 111 63.100 63.100 62.679 0.420 18788 4293 1 6 . 1 1 111 111 VAL CB C 111 30.600 30.600 31.388 -0.788 18788 4294 1 6 . 1 1 111 111 VAL H H 111 9.180 9.180 9.101 0.079 18788 4295 1 6 . 1 1 112 112 ALA N N 112 131.500 131.500 130.504 0.996 18788 4296 1 6 . 1 1 112 112 ALA HA H 112 4.150 4.150 4.492 -0.342 18788 4297 1 6 . 1 1 112 112 ALA C C 112 173.300 173.300 176.163 -2.863 18788 4298 1 6 . 1 1 112 112 ALA CA C 112 51.300 51.300 50.200 1.100 18788 4299 1 6 . 1 1 112 112 ALA CB C 112 23.900 23.900 21.448 2.452 18788 4300 1 6 . 1 1 112 112 ALA H H 112 8.000 8.000 8.211 -0.211 18788 4301 1 6 . 1 1 114 114 VAL N N 114 123.100 123.100 123.291 -0.191 18788 4302 1 6 . 1 1 114 114 VAL HA H 114 3.550 3.550 3.770 -0.220 18788 4303 1 6 . 1 1 114 114 VAL C C 114 174.600 174.600 176.167 -1.567 18788 4304 1 6 . 1 1 114 114 VAL CA C 114 62.000 62.000 62.516 -0.516 18788 4305 1 6 . 1 1 114 114 VAL CB C 114 30.300 30.300 31.979 -1.679 18788 4306 1 6 . 1 1 114 114 VAL H H 114 7.480 7.480 7.829 -0.349 18788 4307 1 6 . 1 1 115 115 TYR N N 115 130.100 130.100 128.196 1.904 18788 4308 1 6 . 1 1 115 115 TYR HA H 115 4.940 4.940 4.669 0.271 18788 4309 1 6 . 1 1 115 115 TYR C C 115 175.700 175.700 175.055 0.645 18788 4310 1 6 . 1 1 115 115 TYR CA C 115 54.900 54.900 56.045 -1.145 18788 4311 1 6 . 1 1 115 115 TYR CB C 115 38.200 38.200 36.800 1.400 18788 4312 1 6 . 1 1 115 115 TYR H H 115 8.970 8.970 8.729 0.241 18788 4313 1 6 . 1 1 116 116 LYS N N 116 125.400 125.400 125.607 -0.207 18788 4314 1 6 . 1 1 116 116 LYS HA H 116 3.940 3.940 4.412 -0.472 18788 4315 1 6 . 1 1 116 116 LYS C C 116 175.100 175.100 175.864 -0.764 18788 4316 1 6 . 1 1 116 116 LYS CA C 116 56.400 56.400 55.778 0.623 18788 4317 1 6 . 1 1 116 116 LYS CB C 116 31.600 31.600 32.364 -0.764 18788 4318 1 6 . 1 1 116 116 LYS H H 116 8.770 8.770 8.414 0.356 18788 4319 1 6 . 1 1 117 117 PRO HA H 117 4.620 4.620 4.623 -0.003 18788 4320 1 6 . 1 1 117 117 PRO C C 117 175.600 175.600 176.054 -0.454 18788 4321 1 6 . 1 1 117 117 PRO CA C 117 64.100 64.100 63.074 1.026 18788 4322 1 6 . 1 1 117 117 PRO CB C 117 32.600 32.600 31.979 0.621 18788 4323 1 6 . 1 1 118 118 ASN N N 118 128.800 128.800 121.911 6.889 18788 4324 1 6 . 1 1 118 118 ASN HA H 118 5.310 5.310 5.069 0.241 18788 4325 1 6 . 1 1 118 118 ASN C C 118 174.500 174.500 174.187 0.313 18788 4326 1 6 . 1 1 118 118 ASN CA C 118 51.600 51.600 53.423 -1.823 18788 4327 1 6 . 1 1 118 118 ASN CB C 118 36.200 36.200 37.161 -0.961 18788 4328 1 6 . 1 1 118 118 ASN H H 118 8.710 8.710 8.311 0.399 18788 4329 1 6 . 1 1 119 119 ASN N N 119 117.600 117.600 118.665 -1.065 18788 4330 1 6 . 1 1 119 119 ASN HA H 119 5.020 5.020 4.948 0.072 18788 4331 1 6 . 1 1 119 119 ASN C C 119 177.500 177.500 176.333 1.167 18788 4332 1 6 . 1 1 119 119 ASN CA C 119 51.900 51.900 53.033 -1.133 18788 4333 1 6 . 1 1 119 119 ASN CB C 119 39.100 39.100 39.361 -0.261 18788 4334 1 6 . 1 1 119 119 ASN H H 119 8.120 8.120 8.284 -0.164 18788 4335 1 6 . 1 1 120 120 THR N N 120 124.400 124.400 119.535 4.865 18788 4336 1 6 . 1 1 120 120 THR HA H 120 3.850 3.850 3.975 -0.125 18788 4337 1 6 . 1 1 120 120 THR C C 120 176.400 176.400 175.299 1.101 18788 4338 1 6 . 1 1 120 120 THR CA C 120 69.100 69.100 66.954 2.146 18788 4339 1 6 . 1 1 120 120 THR CB C 120 66.800 66.800 68.573 -1.773 18788 4340 1 6 . 1 1 120 120 THR H H 120 10.730 10.730 9.222 1.508 18788 4341 1 6 . 1 1 121 121 HIS N N 121 113.400 113.400 117.294 -3.894 18788 4342 1 6 . 1 1 121 121 HIS HA H 121 5.420 5.420 4.868 0.552 18788 4343 1 6 . 1 1 121 121 HIS C C 121 174.800 174.800 175.113 -0.313 18788 4344 1 6 . 1 1 121 121 HIS CA C 121 53.900 53.900 55.040 -1.140 18788 4345 1 6 . 1 1 121 121 HIS CB C 121 29.400 29.400 30.285 -0.885 18788 4346 1 6 . 1 1 121 121 HIS H H 121 6.860 6.860 8.083 -1.223 18788 4347 1 6 . 1 1 122 122 GLU N N 122 120.200 120.200 121.859 -1.659 18788 4348 1 6 . 1 1 122 122 GLU HA H 122 3.700 3.700 3.908 -0.208 18788 4349 1 6 . 1 1 122 122 GLU C C 122 177.200 177.200 177.909 -0.709 18788 4350 1 6 . 1 1 122 122 GLU CA C 122 61.200 61.200 60.575 0.625 18788 4351 1 6 . 1 1 122 122 GLU CB C 122 29.900 29.900 29.716 0.184 18788 4352 1 6 . 1 1 122 122 GLU H H 122 7.540 7.540 7.835 -0.295 18788 4353 1 6 . 1 1 123 123 GLN N N 123 117.200 117.200 117.174 0.026 18788 4354 1 6 . 1 1 123 123 GLN HA H 123 3.970 3.970 4.094 -0.124 18788 4355 1 6 . 1 1 123 123 GLN C C 123 178.600 178.600 178.358 0.242 18788 4356 1 6 . 1 1 123 123 GLN CA C 123 59.500 59.500 58.561 0.939 18788 4357 1 6 . 1 1 123 123 GLN CB C 123 27.100 27.100 27.649 -0.549 18788 4358 1 6 . 1 1 123 123 GLN H H 123 8.920 8.920 8.580 0.340 18788 4359 1 6 . 1 1 124 124 LEU N N 124 122.000 122.000 122.032 -0.032 18788 4360 1 6 . 1 1 124 124 LEU HA H 124 4.090 4.090 4.158 -0.068 18788 4361 1 6 . 1 1 124 124 LEU C C 124 179.100 179.100 178.552 0.548 18788 4362 1 6 . 1 1 124 124 LEU CA C 124 58.600 58.600 57.461 1.139 18788 4363 1 6 . 1 1 124 124 LEU CB C 124 42.000 42.000 41.192 0.808 18788 4364 1 6 . 1 1 124 124 LEU H H 124 7.940 7.940 7.667 0.273 18788 4365 1 6 . 1 1 125 125 LEU N N 125 118.900 118.900 119.286 -0.386 18788 4366 1 6 . 1 1 125 125 LEU HA H 125 4.000 4.000 3.959 0.041 18788 4367 1 6 . 1 1 125 125 LEU C C 125 179.200 179.200 179.218 -0.018 18788 4368 1 6 . 1 1 125 125 LEU CA C 125 58.900 58.900 58.067 0.833 18788 4369 1 6 . 1 1 125 125 LEU CB C 125 41.100 41.100 41.381 -0.281 18788 4370 1 6 . 1 1 125 125 LEU H H 125 8.030 8.030 8.065 -0.035 18788 4371 1 6 . 1 1 126 126 ARG N N 126 118.800 118.800 119.342 -0.542 18788 4372 1 6 . 1 1 126 126 ARG HA H 126 4.030 4.030 3.980 0.050 18788 4373 1 6 . 1 1 126 126 ARG C C 126 179.700 179.700 178.237 1.463 18788 4374 1 6 . 1 1 126 126 ARG CA C 126 60.600 60.600 59.882 0.718 18788 4375 1 6 . 1 1 126 126 ARG CB C 126 29.100 29.100 30.044 -0.944 18788 4376 1 6 . 1 1 126 126 ARG H H 126 9.010 9.010 8.579 0.431 18788 4377 1 6 . 1 1 127 127 LYS N N 127 122.700 122.700 120.009 2.691 18788 4378 1 6 . 1 1 127 127 LYS HA H 127 4.150 4.150 4.012 0.138 18788 4379 1 6 . 1 1 127 127 LYS C C 127 179.800 179.800 178.942 0.858 18788 4380 1 6 . 1 1 127 127 LYS CA C 127 60.100 60.100 59.743 0.357 18788 4381 1 6 . 1 1 127 127 LYS CB C 127 31.700 31.700 32.262 -0.562 18788 4382 1 6 . 1 1 127 127 LYS H H 127 8.160 8.160 8.082 0.078 18788 4383 1 6 . 1 1 128 128 SER N N 128 118.300 118.300 115.346 2.954 18788 4384 1 6 . 1 1 128 128 SER HA H 128 4.320 4.320 4.134 0.186 18788 4385 1 6 . 1 1 128 128 SER C C 128 175.500 175.500 176.154 -0.654 18788 4386 1 6 . 1 1 128 128 SER CA C 128 63.600 63.600 62.533 1.067 18788 4387 1 6 . 1 1 128 128 SER CB C 128 62.600 62.600 62.906 -0.306 18788 4388 1 6 . 1 1 128 128 SER H H 128 7.830 7.830 7.997 -0.167 18788 4389 1 6 . 1 1 129 129 GLU N N 129 125.200 125.200 123.237 1.963 18788 4390 1 6 . 1 1 129 129 GLU HA H 129 3.900 3.900 3.995 -0.095 18788 4391 1 6 . 1 1 129 129 GLU C C 129 177.400 177.400 178.173 -0.773 18788 4392 1 6 . 1 1 129 129 GLU CA C 129 59.200 59.200 59.245 -0.045 18788 4393 1 6 . 1 1 129 129 GLU CB C 129 30.900 30.900 29.752 1.148 18788 4394 1 6 . 1 1 129 129 GLU H H 129 8.580 8.580 8.196 0.384 18788 4395 1 6 . 1 1 130 130 ALA N N 130 119.500 119.500 121.406 -1.906 18788 4396 1 6 . 1 1 130 130 ALA HA H 130 3.850 3.850 3.861 -0.011 18788 4397 1 6 . 1 1 130 130 ALA C C 130 181.000 181.000 179.947 1.053 18788 4398 1 6 . 1 1 130 130 ALA CA C 130 55.000 55.000 55.031 -0.030 18788 4399 1 6 . 1 1 130 130 ALA CB C 130 17.600 17.600 17.937 -0.337 18788 4400 1 6 . 1 1 130 130 ALA H H 130 7.950 7.950 8.227 -0.277 18788 4401 1 6 . 1 1 131 131 GLN N N 131 118.600 118.600 118.956 -0.356 18788 4402 1 6 . 1 1 131 131 GLN HA H 131 3.990 3.990 4.033 -0.043 18788 4403 1 6 . 1 1 131 131 GLN C C 131 177.200 177.200 178.154 -0.954 18788 4404 1 6 . 1 1 131 131 GLN CA C 131 58.800 58.800 58.216 0.584 18788 4405 1 6 . 1 1 131 131 GLN CB C 131 28.000 28.000 28.339 -0.339 18788 4406 1 6 . 1 1 131 131 GLN H H 131 7.520 7.520 7.772 -0.252 18788 4407 1 6 . 1 1 132 132 ALA N N 132 123.100 123.100 122.042 1.058 18788 4408 1 6 . 1 1 132 132 ALA HA H 132 3.930 3.930 4.028 -0.098 18788 4409 1 6 . 1 1 132 132 ALA C C 132 179.500 179.500 179.567 -0.067 18788 4410 1 6 . 1 1 132 132 ALA CA C 132 55.600 55.600 55.210 0.390 18788 4411 1 6 . 1 1 132 132 ALA CB C 132 18.400 18.400 18.447 -0.047 18788 4412 1 6 . 1 1 132 132 ALA H H 132 8.000 8.000 8.090 -0.090 18788 4413 1 6 . 1 1 133 133 LYS N N 133 117.200 117.200 117.336 -0.136 18788 4414 1 6 . 1 1 133 133 LYS HA H 133 3.450 3.450 3.603 -0.153 18788 4415 1 6 . 1 1 133 133 LYS C C 133 180.800 180.800 179.006 1.794 18788 4416 1 6 . 1 1 133 133 LYS CA C 133 59.500 59.500 59.175 0.325 18788 4417 1 6 . 1 1 133 133 LYS CB C 133 32.200 32.200 32.109 0.091 18788 4418 1 6 . 1 1 133 133 LYS H H 133 8.170 8.170 8.101 0.069 18788 4419 1 6 . 1 1 134 134 LYS N N 134 122.600 122.600 117.770 4.830 18788 4420 1 6 . 1 1 134 134 LYS HA H 134 3.960 3.960 4.120 -0.160 18788 4421 1 6 . 1 1 134 134 LYS C C 134 178.700 178.700 178.453 0.247 18788 4422 1 6 . 1 1 134 134 LYS CA C 134 59.200 59.200 58.488 0.712 18788 4423 1 6 . 1 1 134 134 LYS CB C 134 32.200 32.200 32.244 -0.044 18788 4424 1 6 . 1 1 134 134 LYS H H 134 7.830 7.830 7.602 0.228 18788 4425 1 6 . 1 1 135 135 GLU N N 135 116.500 116.500 117.326 -0.826 18788 4426 1 6 . 1 1 135 135 GLU HA H 135 4.030 4.030 4.417 -0.387 18788 4427 1 6 . 1 1 135 135 GLU C C 135 174.500 174.500 175.048 -0.548 18788 4428 1 6 . 1 1 135 135 GLU CA C 135 56.700 56.700 56.032 0.668 18788 4429 1 6 . 1 1 135 135 GLU CB C 135 29.700 29.700 29.827 -0.127 18788 4430 1 6 . 1 1 135 135 GLU H H 135 7.680 7.680 7.610 0.070 18788 4431 1 6 . 1 1 136 136 LYS N N 136 116.800 116.800 116.755 0.045 18788 4432 1 6 . 1 1 136 136 LYS HA H 136 3.540 3.540 4.158 -0.618 18788 4433 1 6 . 1 1 136 136 LYS C C 136 175.000 175.000 176.210 -1.210 18788 4434 1 6 . 1 1 136 136 LYS CA C 136 56.800 56.800 56.589 0.211 18788 4435 1 6 . 1 1 136 136 LYS CB C 136 28.800 28.800 29.938 -1.138 18788 4436 1 6 . 1 1 136 136 LYS H H 136 7.820 7.820 7.401 0.419 18788 4437 1 6 . 1 1 137 137 LEU N N 137 117.000 117.000 118.182 -1.182 18788 4438 1 6 . 1 1 137 137 LEU HA H 137 4.190 4.190 4.195 -0.005 18788 4439 1 6 . 1 1 137 137 LEU C C 137 178.500 178.500 178.419 0.081 18788 4440 1 6 . 1 1 137 137 LEU CA C 137 55.000 55.000 55.119 -0.119 18788 4441 1 6 . 1 1 137 137 LEU CB C 137 44.000 44.000 41.939 2.061 18788 4442 1 6 . 1 1 137 137 LEU H H 137 7.650 7.650 8.238 -0.588 18788 4443 1 6 . 1 1 138 138 ASN N N 138 118.700 118.700 119.064 -0.364 18788 4444 1 6 . 1 1 138 138 ASN HA H 138 3.730 3.730 4.360 -0.630 18788 4445 1 6 . 1 1 138 138 ASN C C 138 176.300 176.300 178.095 -1.795 18788 4446 1 6 . 1 1 138 138 ASN CA C 138 56.600 56.600 56.672 -0.072 18788 4447 1 6 . 1 1 138 138 ASN CB C 138 38.700 38.700 38.542 0.158 18788 4448 1 6 . 1 1 138 138 ASN H H 138 9.050 9.050 8.552 0.498 18788 4449 1 6 . 1 1 139 139 ILE N N 139 123.800 123.800 113.903 9.897 18788 4450 1 6 . 1 1 139 139 ILE HA H 139 3.380 3.380 3.867 -0.487 18788 4451 1 6 . 1 1 139 139 ILE C C 139 176.700 176.700 175.588 1.112 18788 4452 1 6 . 1 1 139 139 ILE CA C 139 65.700 65.700 62.380 3.320 18788 4453 1 6 . 1 1 139 139 ILE CB C 139 37.000 37.000 37.225 -0.225 18788 4454 1 6 . 1 1 139 139 ILE H H 139 8.350 8.350 7.845 0.505 18788 4455 1 6 . 1 1 140 140 TRP N N 140 119.700 119.700 119.611 0.089 18788 4456 1 6 . 1 1 140 140 TRP HA H 140 4.940 4.940 4.760 0.180 18788 4457 1 6 . 1 1 140 140 TRP C C 140 176.200 176.200 176.686 -0.486 18788 4458 1 6 . 1 1 140 140 TRP CA C 140 54.900 54.900 55.376 -0.476 18788 4459 1 6 . 1 1 140 140 TRP CB C 140 30.000 30.000 30.027 -0.027 18788 4460 1 6 . 1 1 140 140 TRP H H 140 7.850 7.850 7.463 0.387 18788 4461 1 6 . 1 1 141 141 SER N N 141 116.100 116.100 117.535 -1.435 18788 4462 1 6 . 1 1 141 141 SER HA H 141 4.220 4.220 4.543 -0.323 18788 4463 1 6 . 1 1 141 141 SER C C 141 175.200 175.200 174.097 1.103 18788 4464 1 6 . 1 1 141 141 SER CA C 141 59.800 59.800 58.806 0.994 18788 4465 1 6 . 1 1 141 141 SER CB C 141 64.600 64.600 62.151 2.449 18788 4466 1 6 . 1 1 141 141 SER H H 141 8.080 8.080 7.803 0.277 18788 4467 1 6 . 1 1 142 142 GLU N N 142 121.200 121.200 126.730 -5.530 18788 4468 1 6 . 1 1 142 142 GLU HA H 142 4.430 4.430 4.441 -0.011 18788 4469 1 6 . 1 1 142 142 GLU C C 142 176.200 176.200 175.524 0.676 18788 4470 1 6 . 1 1 142 142 GLU CA C 142 56.100 56.100 55.590 0.510 18788 4471 1 6 . 1 1 142 142 GLU CB C 142 30.500 30.500 30.738 -0.238 18788 4472 1 6 . 1 1 142 142 GLU H H 142 8.020 8.020 8.043 -0.023 18788 4473 1 6 . 1 1 143 143 ASP N N 143 121.400 121.400 123.167 -1.767 18788 4474 1 6 . 1 1 143 143 ASP HA H 143 4.620 4.620 4.810 -0.190 18788 4475 1 6 . 1 1 143 143 ASP C C 143 176.100 176.100 176.616 -0.516 18788 4476 1 6 . 1 1 143 143 ASP CA C 143 54.800 54.800 53.006 1.794 18788 4477 1 6 . 1 1 143 143 ASP CB C 143 41.200 41.200 42.722 -1.522 18788 4478 1 6 . 1 1 143 143 ASP H H 143 8.370 8.370 8.454 -0.084 18788 4479 1 6 . 1 1 144 144 ASN N N 144 119.300 119.300 119.284 0.016 18788 4480 1 6 . 1 1 144 144 ASN HA H 144 4.760 4.760 4.504 0.256 18788 4481 1 6 . 1 1 144 144 ASN C C 144 175.200 175.200 175.501 -0.301 18788 4482 1 6 . 1 1 144 144 ASN CA C 144 53.200 53.200 54.355 -1.155 18788 4483 1 6 . 1 1 144 144 ASN CB C 144 39.000 39.000 38.747 0.253 18788 4484 1 6 . 1 1 144 144 ASN H H 144 8.400 8.400 8.520 -0.120 18788 4485 1 6 . 1 1 145 145 ALA N N 145 124.300 124.300 122.438 1.862 18788 4486 1 6 . 1 1 145 145 ALA HA H 145 4.310 4.310 4.014 0.296 18788 4487 1 6 . 1 1 145 145 ALA C C 145 177.700 177.700 177.022 0.678 18788 4488 1 6 . 1 1 145 145 ALA CA C 145 53.300 53.300 52.686 0.614 18788 4489 1 6 . 1 1 145 145 ALA CB C 145 19.200 19.200 17.326 1.875 18788 4490 1 6 . 1 1 145 145 ALA H H 145 8.240 8.240 8.280 -0.040 18788 4491 1 6 . 1 1 146 146 ASP N N 146 119.200 119.200 119.584 -0.384 18788 4492 1 6 . 1 1 146 146 ASP HA H 146 4.670 4.670 4.380 0.290 18788 4493 1 6 . 1 1 146 146 ASP C C 146 176.400 176.400 174.675 1.725 18788 4494 1 6 . 1 1 146 146 ASP CA C 146 54.400 54.400 54.480 -0.080 18788 4495 1 6 . 1 1 146 146 ASP CB C 146 41.200 41.200 41.148 0.052 18788 4496 1 6 . 1 1 146 146 ASP H H 146 8.340 8.340 8.556 -0.216 18788 4497 1 6 . 1 1 147 147 SER N N 147 116.100 116.100 117.718 -1.618 18788 4498 1 6 . 1 1 147 147 SER HA H 147 4.450 4.450 4.617 -0.167 18788 4499 1 6 . 1 1 147 147 SER C C 147 175.200 175.200 175.449 -0.249 18788 4500 1 6 . 1 1 147 147 SER CA C 147 58.900 58.900 58.240 0.659 18788 4501 1 6 . 1 1 147 147 SER CB C 147 64.100 64.100 63.058 1.042 18788 4502 1 6 . 1 1 147 147 SER H H 147 8.220 8.220 8.496 -0.276 18788 4503 1 6 . 1 1 148 148 GLY N N 148 111.200 111.200 116.043 -4.843 18788 4504 1 6 . 1 1 148 148 GLY C C 148 173.400 173.400 173.952 -0.552 18788 4505 1 6 . 1 1 148 148 GLY CA C 148 45.500 45.500 45.597 -0.097 18788 4506 1 6 . 1 1 148 148 GLY H H 148 8.470 8.470 8.568 -0.098 18788 4507 1 7 . 1 1 2 2 THR N N 2 120.300 120.300 115.960 4.340 18788 4508 1 7 . 1 1 2 2 THR HA H 2 4.430 4.430 4.263 0.167 18788 4509 1 7 . 1 1 2 2 THR C C 2 174.400 174.400 173.502 0.898 18788 4510 1 7 . 1 1 2 2 THR CA C 2 62.100 62.100 63.084 -0.984 18788 4511 1 7 . 1 1 2 2 THR CB C 2 69.900 69.900 68.431 1.469 18788 4512 1 7 . 1 1 2 2 THR H H 2 8.320 8.320 8.208 0.112 18788 4513 1 7 . 1 1 3 3 SER N N 3 118.700 118.700 118.063 0.637 18788 4514 1 7 . 1 1 3 3 SER HA H 3 5.000 5.000 4.631 0.369 18788 4515 1 7 . 1 1 3 3 SER CA C 3 58.400 58.400 57.634 0.766 18788 4516 1 7 . 1 1 3 3 SER CB C 3 68.800 68.800 65.080 3.720 18788 4517 1 7 . 1 1 3 3 SER H H 3 8.520 8.520 8.032 0.488 18788 4518 1 7 . 1 1 4 4 THR HA H 4 4.380 4.380 4.677 -0.297 18788 4519 1 7 . 1 1 4 4 THR C C 4 174.400 174.400 174.607 -0.207 18788 4520 1 7 . 1 1 4 4 THR CA C 4 62.000 62.000 61.656 0.344 18788 4521 1 7 . 1 1 4 4 THR CB C 4 69.700 69.700 69.715 -0.015 18788 4522 1 7 . 1 1 5 5 LYS N N 5 124.000 124.000 125.469 -1.469 18788 4523 1 7 . 1 1 5 5 LYS HA H 5 4.370 4.370 4.099 0.271 18788 4524 1 7 . 1 1 5 5 LYS C C 5 176.100 176.100 175.936 0.164 18788 4525 1 7 . 1 1 5 5 LYS CA C 5 56.500 56.500 58.049 -1.549 18788 4526 1 7 . 1 1 5 5 LYS CB C 5 32.900 32.900 33.000 -0.100 18788 4527 1 7 . 1 1 5 5 LYS H H 5 8.320 8.320 8.695 -0.375 18788 4528 1 7 . 1 1 6 6 LYS N N 6 122.500 122.500 114.345 8.155 18788 4529 1 7 . 1 1 6 6 LYS HA H 6 4.400 4.400 4.422 -0.022 18788 4530 1 7 . 1 1 6 6 LYS C C 6 176.200 176.200 174.615 1.585 18788 4531 1 7 . 1 1 6 6 LYS CA C 6 55.900 55.900 55.665 0.235 18788 4532 1 7 . 1 1 6 6 LYS CB C 6 33.600 33.600 34.494 -0.894 18788 4533 1 7 . 1 1 6 6 LYS H H 6 8.220 8.220 7.972 0.248 18788 4534 1 7 . 1 1 7 7 LEU N N 7 122.200 122.200 119.422 2.778 18788 4535 1 7 . 1 1 7 7 LEU HA H 7 4.550 4.550 5.702 -1.152 18788 4536 1 7 . 1 1 7 7 LEU C C 7 176.600 176.600 176.294 0.306 18788 4537 1 7 . 1 1 7 7 LEU CA C 7 54.800 54.800 54.998 -0.199 18788 4538 1 7 . 1 1 7 7 LEU CB C 7 41.500 41.500 43.299 -1.799 18788 4539 1 7 . 1 1 7 7 LEU H H 7 8.340 8.340 8.465 -0.125 18788 4540 1 7 . 1 1 8 8 HIS N N 8 119.200 119.200 118.303 0.897 18788 4541 1 7 . 1 1 8 8 HIS HA H 8 4.990 4.990 4.993 -0.003 18788 4542 1 7 . 1 1 8 8 HIS C C 8 173.700 173.700 174.073 -0.373 18788 4543 1 7 . 1 1 8 8 HIS CA C 8 55.300 55.300 54.604 0.696 18788 4544 1 7 . 1 1 8 8 HIS CB C 8 32.200 32.200 32.475 -0.275 18788 4545 1 7 . 1 1 8 8 HIS H H 8 8.860 8.860 8.467 0.393 18788 4546 1 7 . 1 1 9 9 LYS N N 9 124.000 124.000 123.578 0.422 18788 4547 1 7 . 1 1 9 9 LYS HA H 9 4.840 4.840 4.624 0.216 18788 4548 1 7 . 1 1 9 9 LYS C C 9 176.400 176.400 176.203 0.197 18788 4549 1 7 . 1 1 9 9 LYS CA C 9 55.700 55.700 55.657 0.043 18788 4550 1 7 . 1 1 9 9 LYS CB C 9 34.700 34.700 33.491 1.209 18788 4551 1 7 . 1 1 9 9 LYS H H 9 8.480 8.480 8.623 -0.143 18788 4552 1 7 . 1 1 10 10 GLU N N 10 123.100 123.100 122.142 0.958 18788 4553 1 7 . 1 1 10 10 GLU HA H 10 5.060 5.060 4.989 0.071 18788 4554 1 7 . 1 1 10 10 GLU C C 10 173.200 173.200 174.366 -1.166 18788 4555 1 7 . 1 1 10 10 GLU CA C 10 53.400 53.400 53.104 0.296 18788 4556 1 7 . 1 1 10 10 GLU CB C 10 33.000 33.000 32.312 0.688 18788 4557 1 7 . 1 1 10 10 GLU H H 10 9.390 9.390 8.696 0.694 18788 4558 1 7 . 1 1 11 11 PRO HA H 11 4.900 4.900 4.580 0.320 18788 4559 1 7 . 1 1 11 11 PRO C C 11 175.400 175.400 175.576 -0.176 18788 4560 1 7 . 1 1 11 11 PRO CA C 11 63.100 63.100 63.175 -0.075 18788 4561 1 7 . 1 1 11 11 PRO CB C 11 33.000 33.000 32.205 0.795 18788 4562 1 7 . 1 1 12 12 ALA N N 12 119.700 119.700 124.550 -4.850 18788 4563 1 7 . 1 1 12 12 ALA HA H 12 4.990 4.990 5.272 -0.282 18788 4564 1 7 . 1 1 12 12 ALA C C 12 175.400 175.400 175.730 -0.330 18788 4565 1 7 . 1 1 12 12 ALA CA C 12 51.600 51.600 50.807 0.793 18788 4566 1 7 . 1 1 12 12 ALA CB C 12 24.600 24.600 23.461 1.139 18788 4567 1 7 . 1 1 12 12 ALA H H 12 8.070 8.070 8.911 -0.841 18788 4568 1 7 . 1 1 13 13 THR N N 13 109.100 109.100 114.038 -4.938 18788 4569 1 7 . 1 1 13 13 THR HA H 13 4.700 4.700 4.677 0.023 18788 4570 1 7 . 1 1 13 13 THR C C 13 174.000 174.000 173.095 0.905 18788 4571 1 7 . 1 1 13 13 THR CA C 13 60.700 60.700 61.843 -1.143 18788 4572 1 7 . 1 1 13 13 THR CB C 13 71.600 71.600 72.463 -0.863 18788 4573 1 7 . 1 1 13 13 THR H H 13 8.090 8.090 8.046 0.044 18788 4574 1 7 . 1 1 14 14 LEU N N 14 125.200 125.200 126.983 -1.783 18788 4575 1 7 . 1 1 14 14 LEU HA H 14 4.140 4.140 4.242 -0.102 18788 4576 1 7 . 1 1 14 14 LEU C C 14 176.700 176.700 175.609 1.091 18788 4577 1 7 . 1 1 14 14 LEU CA C 14 56.800 56.800 55.910 0.890 18788 4578 1 7 . 1 1 14 14 LEU CB C 14 42.900 42.900 42.969 -0.069 18788 4579 1 7 . 1 1 14 14 LEU H H 14 9.150 9.150 8.766 0.384 18788 4580 1 7 . 1 1 15 15 ILE N N 15 125.200 125.200 124.528 0.672 18788 4581 1 7 . 1 1 15 15 ILE HA H 15 4.220 4.220 4.257 -0.037 18788 4582 1 7 . 1 1 15 15 ILE C C 15 175.900 175.900 176.138 -0.238 18788 4583 1 7 . 1 1 15 15 ILE CA C 15 64.300 64.300 62.701 1.599 18788 4584 1 7 . 1 1 15 15 ILE CB C 15 38.700 38.700 39.767 -1.067 18788 4585 1 7 . 1 1 15 15 ILE H H 15 8.460 8.460 8.595 -0.135 18788 4586 1 7 . 1 1 16 16 LYS N N 16 114.100 114.100 117.799 -3.699 18788 4587 1 7 . 1 1 16 16 LYS HA H 16 4.460 4.460 4.610 -0.150 18788 4588 1 7 . 1 1 16 16 LYS C C 16 174.000 174.000 174.502 -0.502 18788 4589 1 7 . 1 1 16 16 LYS CA C 16 56.600 56.600 54.972 1.628 18788 4590 1 7 . 1 1 16 16 LYS CB C 16 35.300 35.300 37.018 -1.718 18788 4591 1 7 . 1 1 16 16 LYS H H 16 8.050 8.050 8.312 -0.262 18788 4592 1 7 . 1 1 17 17 ALA N N 17 129.100 129.100 126.083 3.017 18788 4593 1 7 . 1 1 17 17 ALA HA H 17 4.480 4.480 4.434 0.046 18788 4594 1 7 . 1 1 17 17 ALA C C 17 175.700 175.700 176.571 -0.871 18788 4595 1 7 . 1 1 17 17 ALA CA C 17 52.300 52.300 52.168 0.132 18788 4596 1 7 . 1 1 17 17 ALA CB C 17 18.200 18.200 19.318 -1.118 18788 4597 1 7 . 1 1 17 17 ALA H H 17 9.470 9.470 8.652 0.818 18788 4598 1 7 . 1 1 18 18 ILE N N 18 123.500 123.500 123.201 0.299 18788 4599 1 7 . 1 1 18 18 ILE HA H 18 4.110 4.110 4.413 -0.303 18788 4600 1 7 . 1 1 18 18 ILE C C 18 175.100 175.100 176.722 -1.622 18788 4601 1 7 . 1 1 18 18 ILE CA C 18 63.200 63.200 62.271 0.929 18788 4602 1 7 . 1 1 18 18 ILE CB C 18 37.800 37.800 38.923 -1.123 18788 4603 1 7 . 1 1 18 18 ILE H H 18 8.070 8.070 8.503 -0.433 18788 4604 1 7 . 1 1 19 19 ASP N N 19 120.500 120.500 116.973 3.527 18788 4605 1 7 . 1 1 19 19 ASP HA H 19 4.730 4.730 4.877 -0.147 18788 4606 1 7 . 1 1 19 19 ASP C C 19 176.800 176.800 177.530 -0.730 18788 4607 1 7 . 1 1 19 19 ASP CA C 19 53.400 53.400 53.137 0.263 18788 4608 1 7 . 1 1 19 19 ASP CB C 19 40.100 40.100 43.240 -3.140 18788 4609 1 7 . 1 1 19 19 ASP H H 19 8.290 8.290 8.254 0.036 18788 4610 1 7 . 1 1 20 20 GLY N N 20 103.500 103.500 107.678 -4.178 18788 4611 1 7 . 1 1 20 20 GLY C C 20 173.300 173.300 174.956 -1.656 18788 4612 1 7 . 1 1 20 20 GLY CA C 20 47.700 47.700 47.528 0.172 18788 4613 1 7 . 1 1 20 20 GLY H H 20 8.460 8.460 8.680 -0.220 18788 4614 1 7 . 1 1 21 21 ASP N N 21 111.200 111.200 117.528 -6.328 18788 4615 1 7 . 1 1 21 21 ASP HA H 21 4.850 4.850 4.669 0.181 18788 4616 1 7 . 1 1 21 21 ASP C C 21 175.300 175.300 175.332 -0.032 18788 4617 1 7 . 1 1 21 21 ASP CA C 21 52.100 52.100 53.836 -1.736 18788 4618 1 7 . 1 1 21 21 ASP CB C 21 40.600 40.600 41.234 -0.634 18788 4619 1 7 . 1 1 21 21 ASP H H 21 7.640 7.640 8.109 -0.469 18788 4620 1 7 . 1 1 22 22 THR N N 22 113.200 113.200 114.846 -1.646 18788 4621 1 7 . 1 1 22 22 THR HA H 22 5.700 5.700 5.545 0.155 18788 4622 1 7 . 1 1 22 22 THR C C 22 174.000 174.000 173.310 0.690 18788 4623 1 7 . 1 1 22 22 THR CA C 22 61.000 61.000 61.049 -0.049 18788 4624 1 7 . 1 1 22 22 THR CB C 22 71.800 71.800 71.279 0.521 18788 4625 1 7 . 1 1 22 22 THR H H 22 7.610 7.610 7.314 0.296 18788 4626 1 7 . 1 1 23 23 VAL N N 23 118.000 118.000 121.891 -3.891 18788 4627 1 7 . 1 1 23 23 VAL HA H 23 4.620 4.620 4.716 -0.096 18788 4628 1 7 . 1 1 23 23 VAL C C 23 172.100 172.100 173.233 -1.133 18788 4629 1 7 . 1 1 23 23 VAL CA C 23 60.100 60.100 59.830 0.271 18788 4630 1 7 . 1 1 23 23 VAL CB C 23 36.200 36.200 35.428 0.772 18788 4631 1 7 . 1 1 23 23 VAL H H 23 8.910 8.910 9.143 -0.233 18788 4632 1 7 . 1 1 24 24 LYS N N 24 127.000 127.000 122.721 4.279 18788 4633 1 7 . 1 1 24 24 LYS HA H 24 5.440 5.440 5.370 0.070 18788 4634 1 7 . 1 1 24 24 LYS C C 24 175.200 175.200 174.879 0.321 18788 4635 1 7 . 1 1 24 24 LYS CA C 24 55.600 55.600 54.973 0.627 18788 4636 1 7 . 1 1 24 24 LYS CB C 24 34.400 34.400 34.857 -0.457 18788 4637 1 7 . 1 1 24 24 LYS H H 24 9.470 9.470 8.997 0.473 18788 4638 1 7 . 1 1 25 25 LEU N N 25 127.000 127.000 122.807 4.193 18788 4639 1 7 . 1 1 25 25 LEU HA H 25 5.210 5.210 4.980 0.230 18788 4640 1 7 . 1 1 25 25 LEU C C 25 174.500 174.500 174.749 -0.249 18788 4641 1 7 . 1 1 25 25 LEU CA C 25 53.100 53.100 52.995 0.105 18788 4642 1 7 . 1 1 25 25 LEU CB C 25 45.500 45.500 45.127 0.373 18788 4643 1 7 . 1 1 25 25 LEU H H 25 9.380 9.380 9.282 0.098 18788 4644 1 7 . 1 1 26 26 MET N N 26 122.000 122.000 119.897 2.103 18788 4645 1 7 . 1 1 26 26 MET HA H 26 4.880 4.880 4.983 -0.103 18788 4646 1 7 . 1 1 26 26 MET C C 26 175.100 175.100 174.456 0.644 18788 4647 1 7 . 1 1 26 26 MET CA C 26 54.700 54.700 55.295 -0.595 18788 4648 1 7 . 1 1 26 26 MET CB C 26 31.400 31.400 33.677 -2.277 18788 4649 1 7 . 1 1 26 26 MET H H 26 9.530 9.530 8.932 0.598 18788 4650 1 7 . 1 1 27 27 TYR N N 27 129.600 129.600 129.334 0.266 18788 4651 1 7 . 1 1 27 27 TYR HA H 27 5.050 5.050 4.947 0.103 18788 4652 1 7 . 1 1 27 27 TYR C C 27 173.900 173.900 174.926 -1.026 18788 4653 1 7 . 1 1 27 27 TYR CA C 27 57.000 57.000 56.470 0.530 18788 4654 1 7 . 1 1 27 27 TYR CB C 27 41.700 41.700 40.231 1.469 18788 4655 1 7 . 1 1 27 27 TYR H H 27 9.040 9.040 9.448 -0.408 18788 4656 1 7 . 1 1 28 28 LYS N N 28 127.600 127.600 128.274 -0.674 18788 4657 1 7 . 1 1 28 28 LYS HA H 28 3.590 3.590 3.734 -0.144 18788 4658 1 7 . 1 1 28 28 LYS C C 28 176.900 176.900 176.156 0.744 18788 4659 1 7 . 1 1 28 28 LYS CA C 28 57.100 57.100 56.864 0.235 18788 4660 1 7 . 1 1 28 28 LYS CB C 28 29.700 29.700 30.237 -0.537 18788 4661 1 7 . 1 1 28 28 LYS H H 28 9.310 9.310 9.356 -0.046 18788 4662 1 7 . 1 1 29 29 GLY N N 29 102.400 102.400 102.726 -0.326 18788 4663 1 7 . 1 1 29 29 GLY C C 29 173.600 173.600 174.504 -0.904 18788 4664 1 7 . 1 1 29 29 GLY CA C 29 45.600 45.600 44.950 0.649 18788 4665 1 7 . 1 1 29 29 GLY H H 29 8.450 8.450 8.525 -0.075 18788 4666 1 7 . 1 1 30 30 GLN N N 30 119.300 119.300 120.701 -1.401 18788 4667 1 7 . 1 1 30 30 GLN HA H 30 5.030 5.030 4.882 0.148 18788 4668 1 7 . 1 1 30 30 GLN C C 30 173.200 173.200 173.601 -0.401 18788 4669 1 7 . 1 1 30 30 GLN CA C 30 52.200 52.200 52.196 0.004 18788 4670 1 7 . 1 1 30 30 GLN CB C 30 31.200 31.200 29.188 2.012 18788 4671 1 7 . 1 1 30 30 GLN H H 30 7.820 7.820 7.773 0.047 18788 4672 1 7 . 1 1 31 31 PRO HA H 31 4.880 4.880 4.824 0.056 18788 4673 1 7 . 1 1 31 31 PRO C C 31 177.400 177.400 175.788 1.612 18788 4674 1 7 . 1 1 31 31 PRO CA C 31 62.600 62.600 63.189 -0.589 18788 4675 1 7 . 1 1 31 31 PRO CB C 31 31.900 31.900 31.652 0.248 18788 4676 1 7 . 1 1 32 32 MET N N 32 125.700 125.700 125.806 -0.106 18788 4677 1 7 . 1 1 32 32 MET HA H 32 4.670 4.670 4.880 -0.210 18788 4678 1 7 . 1 1 32 32 MET C C 32 174.600 174.600 174.296 0.304 18788 4679 1 7 . 1 1 32 32 MET CA C 32 55.800 55.800 54.609 1.191 18788 4680 1 7 . 1 1 32 32 MET CB C 32 37.200 37.200 37.305 -0.105 18788 4681 1 7 . 1 1 32 32 MET H H 32 9.570 9.570 9.413 0.157 18788 4682 1 7 . 1 1 33 33 THR N N 33 123.600 123.600 122.494 1.106 18788 4683 1 7 . 1 1 33 33 THR HA H 33 4.510 4.510 5.080 -0.570 18788 4684 1 7 . 1 1 33 33 THR C C 33 173.100 173.100 173.901 -0.801 18788 4685 1 7 . 1 1 33 33 THR CA C 33 64.300 64.300 62.679 1.621 18788 4686 1 7 . 1 1 33 33 THR CB C 33 68.800 68.800 69.251 -0.451 18788 4687 1 7 . 1 1 33 33 THR H H 33 8.990 8.990 8.606 0.384 18788 4688 1 7 . 1 1 34 34 PHE N N 34 126.100 126.100 127.158 -1.058 18788 4689 1 7 . 1 1 34 34 PHE HA H 34 4.890 4.890 4.996 -0.106 18788 4690 1 7 . 1 1 34 34 PHE C C 34 173.400 173.400 174.155 -0.755 18788 4691 1 7 . 1 1 34 34 PHE CA C 34 57.300 57.300 57.260 0.040 18788 4692 1 7 . 1 1 34 34 PHE CB C 34 41.900 41.900 42.002 -0.102 18788 4693 1 7 . 1 1 34 34 PHE H H 34 9.610 9.610 9.590 0.020 18788 4694 1 7 . 1 1 35 35 ARG N N 35 124.200 124.200 122.409 1.791 18788 4695 1 7 . 1 1 35 35 ARG HA H 35 5.080 5.080 5.540 -0.460 18788 4696 1 7 . 1 1 35 35 ARG C C 35 174.600 174.600 174.286 0.314 18788 4697 1 7 . 1 1 35 35 ARG CA C 35 52.100 52.100 54.050 -1.950 18788 4698 1 7 . 1 1 35 35 ARG CB C 35 33.600 33.600 34.550 -0.950 18788 4699 1 7 . 1 1 35 35 ARG H H 35 9.640 9.640 8.840 0.800 18788 4700 1 7 . 1 1 38 38 LEU HA H 38 4.330 4.330 4.234 0.096 18788 4701 1 7 . 1 1 38 38 LEU C C 38 175.200 175.200 176.514 -1.314 18788 4702 1 7 . 1 1 38 38 LEU CA C 38 56.600 56.600 55.902 0.698 18788 4703 1 7 . 1 1 38 38 LEU CB C 38 40.100 40.100 40.850 -0.750 18788 4704 1 7 . 1 1 39 39 VAL N N 39 104.500 104.500 110.699 -6.199 18788 4705 1 7 . 1 1 39 39 VAL HA H 39 5.580 5.580 4.923 0.657 18788 4706 1 7 . 1 1 39 39 VAL C C 39 175.600 175.600 174.661 0.939 18788 4707 1 7 . 1 1 39 39 VAL CA C 39 57.800 57.800 58.888 -1.088 18788 4708 1 7 . 1 1 39 39 VAL CB C 39 36.400 36.400 35.381 1.019 18788 4709 1 7 . 1 1 39 39 VAL H H 39 6.920 6.920 7.373 -0.453 18788 4710 1 7 . 1 1 40 40 ASP N N 40 121.500 121.500 125.247 -3.747 18788 4711 1 7 . 1 1 40 40 ASP HA H 40 5.260 5.260 5.067 0.193 18788 4712 1 7 . 1 1 40 40 ASP C C 40 174.600 174.600 175.515 -0.915 18788 4713 1 7 . 1 1 40 40 ASP CA C 40 54.100 54.100 52.708 1.393 18788 4714 1 7 . 1 1 40 40 ASP CB C 40 44.100 44.100 44.123 -0.023 18788 4715 1 7 . 1 1 40 40 ASP H H 40 8.880 8.880 8.747 0.133 18788 4716 1 7 . 1 1 41 41 THR N N 41 118.700 118.700 118.168 0.532 18788 4717 1 7 . 1 1 41 41 THR HA H 41 5.020 5.020 4.815 0.205 18788 4718 1 7 . 1 1 41 41 THR CA C 41 58.300 58.300 59.151 -0.851 18788 4719 1 7 . 1 1 41 41 THR CB C 41 68.900 68.900 69.247 -0.347 18788 4720 1 7 . 1 1 41 41 THR H H 41 8.520 8.520 9.382 -0.862 18788 4721 1 7 . 1 1 42 42 PRO HA H 42 4.440 4.440 4.459 -0.019 18788 4722 1 7 . 1 1 42 42 PRO CA C 42 62.200 62.200 62.741 -0.541 18788 4723 1 7 . 1 1 42 42 PRO CB C 42 32.300 32.300 31.892 0.408 18788 4724 1 7 . 1 1 50 50 GLY C C 50 179.800 179.800 174.214 5.586 18788 4725 1 7 . 1 1 51 51 VAL N N 51 119.200 119.200 119.162 0.038 18788 4726 1 7 . 1 1 51 51 VAL HA H 51 4.160 4.160 3.867 0.293 18788 4727 1 7 . 1 1 51 51 VAL C C 51 178.600 178.600 175.979 2.621 18788 4728 1 7 . 1 1 51 51 VAL CA C 51 63.500 63.500 64.338 -0.838 18788 4729 1 7 . 1 1 51 51 VAL H H 51 7.820 7.820 7.394 0.426 18788 4730 1 7 . 1 1 54 54 TYR C C 54 176.300 176.300 176.165 0.135 18788 4731 1 7 . 1 1 55 55 GLY N N 55 108.900 108.900 106.399 2.501 18788 4732 1 7 . 1 1 55 55 GLY C C 55 174.300 174.300 171.771 2.529 18788 4733 1 7 . 1 1 55 55 GLY CA C 55 48.400 48.400 44.254 4.146 18788 4734 1 7 . 1 1 55 55 GLY H H 55 8.810 8.810 9.023 -0.213 18788 4735 1 7 . 1 1 57 57 GLU HA H 57 4.010 4.010 3.940 0.070 18788 4736 1 7 . 1 1 57 57 GLU C C 57 179.500 179.500 177.436 2.064 18788 4737 1 7 . 1 1 57 57 GLU CA C 57 61.700 61.700 59.782 1.918 18788 4738 1 7 . 1 1 58 58 ALA N N 58 125.000 125.000 122.904 2.096 18788 4739 1 7 . 1 1 58 58 ALA HA H 58 4.170 4.170 4.127 0.043 18788 4740 1 7 . 1 1 58 58 ALA C C 58 178.700 178.700 179.837 -1.137 18788 4741 1 7 . 1 1 58 58 ALA CA C 58 55.800 55.800 54.890 0.910 18788 4742 1 7 . 1 1 58 58 ALA CB C 58 18.200 18.200 17.883 0.317 18788 4743 1 7 . 1 1 58 58 ALA H H 58 8.940 8.940 8.451 0.489 18788 4744 1 7 . 1 1 59 59 SER N N 59 111.900 111.900 115.955 -4.055 18788 4745 1 7 . 1 1 59 59 SER HA H 59 3.740 3.740 4.255 -0.515 18788 4746 1 7 . 1 1 59 59 SER C C 59 177.100 177.100 176.803 0.297 18788 4747 1 7 . 1 1 59 59 SER CA C 59 62.000 62.000 61.612 0.388 18788 4748 1 7 . 1 1 59 59 SER CB C 59 62.900 62.900 62.413 0.487 18788 4749 1 7 . 1 1 59 59 SER H H 59 8.340 8.340 8.362 -0.022 18788 4750 1 7 . 1 1 60 60 ALA N N 60 122.900 122.900 123.231 -0.331 18788 4751 1 7 . 1 1 60 60 ALA HA H 60 4.070 4.070 4.084 -0.014 18788 4752 1 7 . 1 1 60 60 ALA C C 60 179.100 179.100 178.997 0.103 18788 4753 1 7 . 1 1 60 60 ALA CA C 60 55.100 55.100 55.076 0.024 18788 4754 1 7 . 1 1 60 60 ALA CB C 60 18.200 18.200 18.440 -0.240 18788 4755 1 7 . 1 1 60 60 ALA H H 60 8.440 8.440 8.699 -0.259 18788 4756 1 7 . 1 1 61 61 PHE N N 61 121.700 121.700 119.449 2.251 18788 4757 1 7 . 1 1 61 61 PHE HA H 61 4.050 4.050 4.247 -0.197 18788 4758 1 7 . 1 1 61 61 PHE C C 61 178.100 178.100 177.240 0.860 18788 4759 1 7 . 1 1 61 61 PHE CA C 61 61.800 61.800 61.417 0.383 18788 4760 1 7 . 1 1 61 61 PHE CB C 61 39.800 39.800 39.444 0.356 18788 4761 1 7 . 1 1 61 61 PHE H H 61 8.190 8.190 7.445 0.745 18788 4762 1 7 . 1 1 62 62 THR N N 62 120.200 120.200 116.938 3.262 18788 4763 1 7 . 1 1 62 62 THR HA H 62 3.560 3.560 3.771 -0.211 18788 4764 1 7 . 1 1 62 62 THR C C 62 175.300 175.300 176.427 -1.127 18788 4765 1 7 . 1 1 62 62 THR CA C 62 67.600 67.600 67.324 0.276 18788 4766 1 7 . 1 1 62 62 THR CB C 62 68.400 68.400 68.611 -0.211 18788 4767 1 7 . 1 1 62 62 THR H H 62 8.540 8.540 8.774 -0.234 18788 4768 1 7 . 1 1 63 63 LYS N N 63 120.000 120.000 121.208 -1.208 18788 4769 1 7 . 1 1 63 63 LYS HA H 63 3.560 3.560 3.941 -0.381 18788 4770 1 7 . 1 1 63 63 LYS C C 63 176.800 176.800 178.207 -1.407 18788 4771 1 7 . 1 1 63 63 LYS CA C 63 60.400 60.400 59.564 0.836 18788 4772 1 7 . 1 1 63 63 LYS CB C 63 33.300 33.300 32.467 0.833 18788 4773 1 7 . 1 1 63 63 LYS H H 63 7.910 7.910 8.089 -0.179 18788 4774 1 7 . 1 1 64 64 LYS N N 64 117.200 117.200 119.912 -2.712 18788 4775 1 7 . 1 1 64 64 LYS HA H 64 3.940 3.940 3.909 0.031 18788 4776 1 7 . 1 1 64 64 LYS C C 64 178.700 178.700 179.189 -0.489 18788 4777 1 7 . 1 1 64 64 LYS CA C 64 59.200 59.200 59.309 -0.109 18788 4778 1 7 . 1 1 64 64 LYS CB C 64 31.900 31.900 32.110 -0.210 18788 4779 1 7 . 1 1 64 64 LYS H H 64 8.000 8.000 7.897 0.103 18788 4780 1 7 . 1 1 65 65 MET N N 65 116.200 116.200 116.540 -0.340 18788 4781 1 7 . 1 1 65 65 MET HA H 65 3.890 3.890 4.024 -0.134 18788 4782 1 7 . 1 1 65 65 MET C C 65 179.200 179.200 178.618 0.582 18788 4783 1 7 . 1 1 65 65 MET CA C 65 59.800 59.800 57.702 2.098 18788 4784 1 7 . 1 1 65 65 MET CB C 65 32.200 32.200 31.823 0.377 18788 4785 1 7 . 1 1 65 65 MET H H 65 7.680 7.680 7.924 -0.244 18788 4786 1 7 . 1 1 66 66 VAL N N 66 107.700 107.700 113.431 -5.731 18788 4787 1 7 . 1 1 66 66 VAL HA H 66 4.150 4.150 3.838 0.312 18788 4788 1 7 . 1 1 66 66 VAL C C 66 177.500 177.500 177.386 0.114 18788 4789 1 7 . 1 1 66 66 VAL CA C 66 64.300 64.300 65.060 -0.760 18788 4790 1 7 . 1 1 66 66 VAL CB C 66 31.100 31.100 30.997 0.103 18788 4791 1 7 . 1 1 66 66 VAL H H 66 8.220 8.220 7.679 0.541 18788 4792 1 7 . 1 1 67 67 GLU N N 67 121.000 121.000 118.386 2.614 18788 4793 1 7 . 1 1 67 67 GLU HA H 67 3.960 3.960 4.111 -0.151 18788 4794 1 7 . 1 1 67 67 GLU C C 67 178.000 178.000 177.631 0.369 18788 4795 1 7 . 1 1 67 67 GLU CA C 67 59.200 59.200 58.626 0.574 18788 4796 1 7 . 1 1 67 67 GLU CB C 67 29.100 29.100 29.747 -0.647 18788 4797 1 7 . 1 1 67 67 GLU H H 67 8.750 8.750 8.136 0.614 18788 4798 1 7 . 1 1 68 68 ASN N N 68 113.400 113.400 115.481 -2.081 18788 4799 1 7 . 1 1 68 68 ASN HA H 68 4.660 4.660 4.683 -0.023 18788 4800 1 7 . 1 1 68 68 ASN C C 68 174.600 174.600 174.934 -0.334 18788 4801 1 7 . 1 1 68 68 ASN CA C 68 53.400 53.400 53.965 -0.565 18788 4802 1 7 . 1 1 68 68 ASN CB C 68 38.900 38.900 39.387 -0.487 18788 4803 1 7 . 1 1 68 68 ASN H H 68 7.400 7.400 7.746 -0.346 18788 4804 1 7 . 1 1 69 69 ALA N N 69 121.100 121.100 122.243 -1.143 18788 4805 1 7 . 1 1 69 69 ALA HA H 69 4.490 4.490 4.232 0.258 18788 4806 1 7 . 1 1 69 69 ALA C C 69 177.800 177.800 177.232 0.568 18788 4807 1 7 . 1 1 69 69 ALA CA C 69 51.400 51.400 52.501 -1.101 18788 4808 1 7 . 1 1 69 69 ALA CB C 69 19.200 19.200 19.218 -0.018 18788 4809 1 7 . 1 1 69 69 ALA H H 69 6.680 6.680 7.301 -0.621 18788 4810 1 7 . 1 1 70 70 LYS N N 70 125.700 125.700 123.108 2.592 18788 4811 1 7 . 1 1 70 70 LYS HA H 70 4.370 4.370 4.305 0.065 18788 4812 1 7 . 1 1 70 70 LYS C C 70 177.800 177.800 177.465 0.335 18788 4813 1 7 . 1 1 70 70 LYS CA C 70 57.800 57.800 57.023 0.777 18788 4814 1 7 . 1 1 70 70 LYS CB C 70 32.000 32.000 33.221 -1.221 18788 4815 1 7 . 1 1 70 70 LYS H H 70 10.130 10.130 9.181 0.949 18788 4816 1 7 . 1 1 71 71 LYS N N 71 121.300 121.300 119.152 2.148 18788 4817 1 7 . 1 1 71 71 LYS HA H 71 4.660 4.660 4.552 0.108 18788 4818 1 7 . 1 1 71 71 LYS C C 71 174.600 174.600 174.965 -0.365 18788 4819 1 7 . 1 1 71 71 LYS CA C 71 55.500 55.500 55.721 -0.221 18788 4820 1 7 . 1 1 71 71 LYS CB C 71 35.400 35.400 33.036 2.364 18788 4821 1 7 . 1 1 71 71 LYS H H 71 8.920 8.920 7.515 1.405 18788 4822 1 7 . 1 1 72 72 ILE N N 72 128.900 128.900 127.521 1.379 18788 4823 1 7 . 1 1 72 72 ILE HA H 72 5.240 5.240 4.950 0.290 18788 4824 1 7 . 1 1 72 72 ILE C C 72 175.300 175.300 174.992 0.308 18788 4825 1 7 . 1 1 72 72 ILE CA C 72 58.700 58.700 60.498 -1.798 18788 4826 1 7 . 1 1 72 72 ILE CB C 72 38.100 38.100 38.767 -0.667 18788 4827 1 7 . 1 1 72 72 ILE H H 72 8.960 8.960 8.748 0.212 18788 4828 1 7 . 1 1 73 73 GLU N N 73 123.100 123.100 127.817 -4.717 18788 4829 1 7 . 1 1 73 73 GLU HA H 73 5.240 5.240 5.175 0.065 18788 4830 1 7 . 1 1 73 73 GLU C C 73 174.900 174.900 175.529 -0.629 18788 4831 1 7 . 1 1 73 73 GLU CA C 73 53.600 53.600 54.351 -0.751 18788 4832 1 7 . 1 1 73 73 GLU CB C 73 36.200 36.200 33.181 3.019 18788 4833 1 7 . 1 1 73 73 GLU H H 73 8.810 8.810 9.081 -0.271 18788 4834 1 7 . 1 1 74 74 VAL N N 74 117.300 117.300 119.184 -1.884 18788 4835 1 7 . 1 1 74 74 VAL HA H 74 4.550 4.550 4.763 -0.213 18788 4836 1 7 . 1 1 74 74 VAL C C 74 174.000 174.000 174.403 -0.403 18788 4837 1 7 . 1 1 74 74 VAL CA C 74 59.500 59.500 59.472 0.028 18788 4838 1 7 . 1 1 74 74 VAL CB C 74 34.200 34.200 32.220 1.980 18788 4839 1 7 . 1 1 74 74 VAL H H 74 9.510 9.510 9.095 0.415 18788 4840 1 7 . 1 1 75 75 GLU N N 75 126.900 126.900 128.601 -1.701 18788 4841 1 7 . 1 1 75 75 GLU HA H 75 5.160 5.160 5.159 0.001 18788 4842 1 7 . 1 1 75 75 GLU C C 75 175.600 175.600 175.613 -0.013 18788 4843 1 7 . 1 1 75 75 GLU CA C 75 54.500 54.500 53.807 0.693 18788 4844 1 7 . 1 1 75 75 GLU CB C 75 35.900 35.900 32.234 3.666 18788 4845 1 7 . 1 1 75 75 GLU H H 75 8.860 8.860 9.157 -0.297 18788 4846 1 7 . 1 1 76 76 PHE N N 76 126.400 126.400 127.801 -1.401 18788 4847 1 7 . 1 1 76 76 PHE HA H 76 4.740 4.740 5.153 -0.413 18788 4848 1 7 . 1 1 76 76 PHE C C 76 175.600 175.600 176.111 -0.511 18788 4849 1 7 . 1 1 76 76 PHE CA C 76 59.500 59.500 58.836 0.664 18788 4850 1 7 . 1 1 76 76 PHE CB C 76 39.700 39.700 39.968 -0.268 18788 4851 1 7 . 1 1 76 76 PHE H H 76 8.770 8.770 8.516 0.254 18788 4852 1 7 . 1 1 77 77 ASP N N 77 123.000 123.000 123.479 -0.479 18788 4853 1 7 . 1 1 77 77 ASP HA H 77 5.310 5.310 4.954 0.356 18788 4854 1 7 . 1 1 77 77 ASP C C 77 177.600 177.600 177.373 0.227 18788 4855 1 7 . 1 1 77 77 ASP CA C 77 51.800 51.800 54.507 -2.707 18788 4856 1 7 . 1 1 77 77 ASP CB C 77 42.900 42.900 43.018 -0.118 18788 4857 1 7 . 1 1 77 77 ASP H H 77 9.310 9.310 8.432 0.878 18788 4858 1 7 . 1 1 78 78 LYS N N 78 119.100 119.100 119.329 -0.229 18788 4859 1 7 . 1 1 78 78 LYS HA H 78 4.240 4.240 4.500 -0.260 18788 4860 1 7 . 1 1 78 78 LYS C C 78 177.100 177.100 176.618 0.482 18788 4861 1 7 . 1 1 78 78 LYS CA C 78 57.700 57.700 57.048 0.652 18788 4862 1 7 . 1 1 78 78 LYS CB C 78 33.400 33.400 32.630 0.770 18788 4863 1 7 . 1 1 78 78 LYS H H 78 10.360 10.360 8.573 1.787 18788 4864 1 7 . 1 1 79 79 GLY N N 79 111.100 111.100 109.174 1.926 18788 4865 1 7 . 1 1 79 79 GLY C C 79 173.600 173.600 173.984 -0.384 18788 4866 1 7 . 1 1 79 79 GLY CA C 79 44.500 44.500 44.123 0.376 18788 4867 1 7 . 1 1 79 79 GLY H H 79 8.680 8.680 7.539 1.141 18788 4868 1 7 . 1 1 80 80 GLN N N 80 124.800 124.800 119.919 4.881 18788 4869 1 7 . 1 1 80 80 GLN HA H 80 4.140 4.140 4.319 -0.179 18788 4870 1 7 . 1 1 80 80 GLN C C 80 176.900 176.900 176.201 0.699 18788 4871 1 7 . 1 1 80 80 GLN CA C 80 57.200 57.200 56.422 0.778 18788 4872 1 7 . 1 1 80 80 GLN CB C 80 29.200 29.200 29.554 -0.354 18788 4873 1 7 . 1 1 80 80 GLN H H 80 8.800 8.800 8.591 0.209 18788 4874 1 7 . 1 1 81 81 ARG N N 81 120.700 120.700 123.220 -2.520 18788 4875 1 7 . 1 1 81 81 ARG HA H 81 4.620 4.620 4.256 0.364 18788 4876 1 7 . 1 1 81 81 ARG C C 81 176.200 176.200 175.405 0.795 18788 4877 1 7 . 1 1 81 81 ARG CA C 81 57.500 57.500 58.547 -1.047 18788 4878 1 7 . 1 1 81 81 ARG CB C 81 32.000 32.000 30.717 1.283 18788 4879 1 7 . 1 1 81 81 ARG H H 81 8.640 8.640 8.583 0.057 18788 4880 1 7 . 1 1 82 82 THR N N 82 107.900 107.900 107.592 0.308 18788 4881 1 7 . 1 1 82 82 THR HA H 82 5.540 5.540 4.944 0.596 18788 4882 1 7 . 1 1 82 82 THR C C 82 174.600 174.600 173.605 0.995 18788 4883 1 7 . 1 1 82 82 THR CA C 82 58.400 58.400 59.561 -1.161 18788 4884 1 7 . 1 1 82 82 THR CB C 82 72.500 72.500 72.249 0.251 18788 4885 1 7 . 1 1 82 82 THR H H 82 7.300 7.300 7.355 -0.055 18788 4886 1 7 . 1 1 83 83 ASP N N 83 121.300 121.300 121.419 -0.119 18788 4887 1 7 . 1 1 83 83 ASP HA H 83 4.660 4.660 4.567 0.093 18788 4888 1 7 . 1 1 83 83 ASP C C 83 179.000 179.000 178.278 0.722 18788 4889 1 7 . 1 1 83 83 ASP CA C 83 51.700 51.700 54.087 -2.387 18788 4890 1 7 . 1 1 83 83 ASP CB C 83 42.100 42.100 42.559 -0.459 18788 4891 1 7 . 1 1 83 83 ASP H H 83 8.590 8.590 8.939 -0.349 18788 4892 1 7 . 1 1 85 85 TYR N N 85 119.300 119.300 117.511 1.789 18788 4893 1 7 . 1 1 85 85 TYR HA H 85 4.600 4.600 4.581 0.019 18788 4894 1 7 . 1 1 85 85 TYR C C 85 176.100 176.100 175.708 0.392 18788 4895 1 7 . 1 1 85 85 TYR CA C 85 57.100 57.100 57.889 -0.789 18788 4896 1 7 . 1 1 85 85 TYR CB C 85 37.900 37.900 38.505 -0.605 18788 4897 1 7 . 1 1 85 85 TYR H H 85 7.650 7.650 8.852 -1.202 18788 4898 1 7 . 1 1 86 86 GLY N N 86 108.500 108.500 107.055 1.445 18788 4899 1 7 . 1 1 86 86 GLY C C 86 174.400 174.400 174.312 0.088 18788 4900 1 7 . 1 1 86 86 GLY CA C 86 45.400 45.400 45.072 0.328 18788 4901 1 7 . 1 1 86 86 GLY H H 86 8.120 8.120 7.970 0.150 18788 4902 1 7 . 1 1 87 87 ARG N N 87 121.600 121.600 120.776 0.824 18788 4903 1 7 . 1 1 87 87 ARG HA H 87 4.430 4.430 4.449 -0.019 18788 4904 1 7 . 1 1 87 87 ARG C C 87 177.000 177.000 176.769 0.231 18788 4905 1 7 . 1 1 87 87 ARG CA C 87 55.300 55.300 55.638 -0.338 18788 4906 1 7 . 1 1 87 87 ARG CB C 87 30.000 30.000 30.758 -0.758 18788 4907 1 7 . 1 1 87 87 ARG H H 87 8.600 8.600 7.625 0.975 18788 4908 1 7 . 1 1 88 88 GLY N N 88 108.000 108.000 107.756 0.244 18788 4909 1 7 . 1 1 88 88 GLY C C 88 171.800 171.800 172.992 -1.192 18788 4910 1 7 . 1 1 88 88 GLY CA C 88 44.800 44.800 44.029 0.771 18788 4911 1 7 . 1 1 88 88 GLY H H 88 8.780 8.780 8.332 0.448 18788 4912 1 7 . 1 1 89 89 LEU N N 89 125.100 125.100 126.911 -1.811 18788 4913 1 7 . 1 1 89 89 LEU HA H 89 5.190 5.190 4.822 0.368 18788 4914 1 7 . 1 1 89 89 LEU C C 89 174.800 174.800 175.481 -0.681 18788 4915 1 7 . 1 1 89 89 LEU CA C 89 52.800 52.800 53.963 -1.163 18788 4916 1 7 . 1 1 89 89 LEU CB C 89 42.900 42.900 41.163 1.737 18788 4917 1 7 . 1 1 89 89 LEU H H 89 8.220 8.220 8.649 -0.429 18788 4918 1 7 . 1 1 90 90 ALA N N 90 119.900 119.900 124.658 -4.758 18788 4919 1 7 . 1 1 90 90 ALA HA H 90 4.790 4.790 4.609 0.181 18788 4920 1 7 . 1 1 90 90 ALA C C 90 177.000 177.000 175.745 1.255 18788 4921 1 7 . 1 1 90 90 ALA CA C 90 50.800 50.800 50.309 0.491 18788 4922 1 7 . 1 1 90 90 ALA CB C 90 23.700 23.700 21.945 1.755 18788 4923 1 7 . 1 1 90 90 ALA H H 90 7.400 7.400 7.641 -0.241 18788 4924 1 7 . 1 1 91 91 TYR N N 91 122.400 122.400 120.281 2.119 18788 4925 1 7 . 1 1 91 91 TYR HA H 91 4.650 4.650 4.461 0.189 18788 4926 1 7 . 1 1 91 91 TYR C C 91 174.600 174.600 175.273 -0.673 18788 4927 1 7 . 1 1 91 91 TYR CA C 91 57.200 57.200 58.077 -0.877 18788 4928 1 7 . 1 1 91 91 TYR CB C 91 37.600 37.600 39.608 -2.008 18788 4929 1 7 . 1 1 91 91 TYR H H 91 9.000 9.000 8.998 0.002 18788 4930 1 7 . 1 1 92 92 ILE N N 92 122.200 122.200 124.267 -2.067 18788 4931 1 7 . 1 1 92 92 ILE HA H 92 4.950 4.950 4.728 0.222 18788 4932 1 7 . 1 1 92 92 ILE C C 92 173.700 173.700 175.153 -1.453 18788 4933 1 7 . 1 1 92 92 ILE CA C 92 58.700 58.700 60.274 -1.574 18788 4934 1 7 . 1 1 92 92 ILE CB C 92 38.900 38.900 39.068 -0.168 18788 4935 1 7 . 1 1 92 92 ILE H H 92 7.830 7.830 8.510 -0.680 18788 4936 1 7 . 1 1 93 93 TYR N N 93 126.200 126.200 127.934 -1.734 18788 4937 1 7 . 1 1 93 93 TYR HA H 93 5.080 5.080 4.926 0.154 18788 4938 1 7 . 1 1 93 93 TYR C C 93 173.900 173.900 174.563 -0.663 18788 4939 1 7 . 1 1 93 93 TYR CA C 93 56.500 56.500 56.334 0.166 18788 4940 1 7 . 1 1 93 93 TYR CB C 93 41.500 41.500 39.493 2.007 18788 4941 1 7 . 1 1 93 93 TYR H H 93 9.540 9.540 9.325 0.215 18788 4942 1 7 . 1 1 94 94 ALA N N 94 125.700 125.700 126.936 -1.236 18788 4943 1 7 . 1 1 94 94 ALA HA H 94 4.960 4.960 4.533 0.427 18788 4944 1 7 . 1 1 94 94 ALA C C 94 175.700 175.700 177.108 -1.408 18788 4945 1 7 . 1 1 94 94 ALA CA C 94 49.700 49.700 50.583 -0.883 18788 4946 1 7 . 1 1 94 94 ALA CB C 94 20.900 20.900 19.276 1.624 18788 4947 1 7 . 1 1 94 94 ALA H H 94 9.230 9.230 9.106 0.124 18788 4948 1 7 . 1 1 95 95 ASP N N 95 127.600 127.600 125.112 2.488 18788 4949 1 7 . 1 1 95 95 ASP HA H 95 4.430 4.430 4.329 0.101 18788 4950 1 7 . 1 1 95 95 ASP C C 95 176.100 176.100 176.265 -0.165 18788 4951 1 7 . 1 1 95 95 ASP CA C 95 56.500 56.500 55.373 1.127 18788 4952 1 7 . 1 1 95 95 ASP CB C 95 39.500 39.500 40.317 -0.817 18788 4953 1 7 . 1 1 95 95 ASP H H 95 9.720 9.720 9.342 0.378 18788 4954 1 7 . 1 1 96 96 GLY N N 96 103.000 103.000 102.880 0.120 18788 4955 1 7 . 1 1 96 96 GLY C C 96 173.800 173.800 174.288 -0.488 18788 4956 1 7 . 1 1 96 96 GLY CA C 96 45.400 45.400 45.231 0.169 18788 4957 1 7 . 1 1 96 96 GLY H H 96 9.420 9.420 8.092 1.328 18788 4958 1 7 . 1 1 97 97 LYS N N 97 121.400 121.400 123.136 -1.736 18788 4959 1 7 . 1 1 97 97 LYS HA H 97 4.670 4.670 4.646 0.024 18788 4960 1 7 . 1 1 97 97 LYS C C 97 176.000 176.000 176.094 -0.094 18788 4961 1 7 . 1 1 97 97 LYS CA C 97 54.200 54.200 54.653 -0.453 18788 4962 1 7 . 1 1 97 97 LYS CB C 97 33.100 33.100 33.378 -0.278 18788 4963 1 7 . 1 1 97 97 LYS H H 97 7.870 7.870 7.929 -0.059 18788 4964 1 7 . 1 1 98 98 MET N N 98 127.000 127.000 124.048 2.952 18788 4965 1 7 . 1 1 98 98 MET HA H 98 3.780 3.780 4.043 -0.263 18788 4966 1 7 . 1 1 98 98 MET C C 98 177.700 177.700 176.956 0.744 18788 4967 1 7 . 1 1 98 98 MET CA C 98 56.100 56.100 56.226 -0.126 18788 4968 1 7 . 1 1 98 98 MET CB C 98 34.700 34.700 31.165 3.535 18788 4969 1 7 . 1 1 98 98 MET H H 98 9.280 9.280 9.066 0.214 18788 4970 1 7 . 1 1 99 99 VAL N N 99 103.700 103.700 125.714 -22.014 18788 4971 1 7 . 1 1 99 99 VAL HA H 99 3.730 3.730 3.577 0.153 18788 4972 1 7 . 1 1 99 99 VAL C C 99 177.200 177.200 177.343 -0.143 18788 4973 1 7 . 1 1 99 99 VAL CA C 99 66.100 66.100 66.273 -0.173 18788 4974 1 7 . 1 1 99 99 VAL CB C 99 32.400 32.400 31.332 1.068 18788 4975 1 7 . 1 1 99 99 VAL H H 99 10.190 10.190 8.644 1.546 18788 4976 1 7 . 1 1 100 100 ASN N N 100 108.600 108.600 118.185 -9.585 18788 4977 1 7 . 1 1 100 100 ASN HA H 100 4.080 4.080 4.274 -0.194 18788 4978 1 7 . 1 1 100 100 ASN C C 100 174.200 174.200 177.247 -3.047 18788 4979 1 7 . 1 1 100 100 ASN CA C 100 57.200 57.200 57.306 -0.106 18788 4980 1 7 . 1 1 100 100 ASN CB C 100 34.700 34.700 37.841 -3.141 18788 4981 1 7 . 1 1 100 100 ASN H H 100 9.670 9.670 8.033 1.637 18788 4982 1 7 . 1 1 101 101 GLU N N 101 112.800 112.800 120.525 -7.725 18788 4983 1 7 . 1 1 101 101 GLU HA H 101 3.660 3.660 3.993 -0.333 18788 4984 1 7 . 1 1 101 101 GLU C C 101 176.100 176.100 178.076 -1.976 18788 4985 1 7 . 1 1 101 101 GLU CA C 101 59.800 59.800 59.233 0.567 18788 4986 1 7 . 1 1 101 101 GLU CB C 101 30.200 30.200 29.595 0.605 18788 4987 1 7 . 1 1 101 101 GLU H H 101 6.150 6.150 7.668 -1.518 18788 4988 1 7 . 1 1 102 102 ALA N N 102 122.600 122.600 122.795 -0.195 18788 4989 1 7 . 1 1 102 102 ALA HA H 102 4.070 4.070 4.065 0.005 18788 4990 1 7 . 1 1 102 102 ALA C C 102 179.800 179.800 180.036 -0.236 18788 4991 1 7 . 1 1 102 102 ALA CA C 102 55.300 55.300 55.271 0.029 18788 4992 1 7 . 1 1 102 102 ALA CB C 102 17.900 17.900 18.316 -0.416 18788 4993 1 7 . 1 1 102 102 ALA H H 102 7.810 7.810 7.662 0.148 18788 4994 1 7 . 1 1 103 103 LEU N N 103 116.100 116.100 118.421 -2.321 18788 4995 1 7 . 1 1 103 103 LEU HA H 103 3.280 3.280 3.754 -0.474 18788 4996 1 7 . 1 1 103 103 LEU C C 103 178.900 178.900 179.016 -0.116 18788 4997 1 7 . 1 1 103 103 LEU CA C 103 57.800 57.800 58.011 -0.211 18788 4998 1 7 . 1 1 103 103 LEU CB C 103 45.500 45.500 41.672 3.828 18788 4999 1 7 . 1 1 103 103 LEU H H 103 8.070 8.070 8.574 -0.504 18788 5000 1 7 . 1 1 104 104 VAL N N 104 116.600 116.600 118.319 -1.719 18788 5001 1 7 . 1 1 104 104 VAL HA H 104 3.870 3.870 3.989 -0.119 18788 5002 1 7 . 1 1 104 104 VAL C C 104 180.300 180.300 179.509 0.791 18788 5003 1 7 . 1 1 104 104 VAL CA C 104 65.000 65.000 65.641 -0.641 18788 5004 1 7 . 1 1 104 104 VAL CB C 104 32.000 32.000 31.715 0.285 18788 5005 1 7 . 1 1 104 104 VAL H H 104 6.890 6.890 7.502 -0.612 18788 5006 1 7 . 1 1 105 105 ARG N N 105 122.400 122.400 119.953 2.447 18788 5007 1 7 . 1 1 105 105 ARG HA H 105 4.130 4.130 4.244 -0.114 18788 5008 1 7 . 1 1 105 105 ARG C C 105 176.000 176.000 177.793 -1.793 18788 5009 1 7 . 1 1 105 105 ARG CA C 105 57.000 57.000 58.527 -1.527 18788 5010 1 7 . 1 1 105 105 ARG CB C 105 28.300 28.300 30.318 -2.018 18788 5011 1 7 . 1 1 105 105 ARG H H 105 9.140 9.140 8.556 0.584 18788 5012 1 7 . 1 1 106 106 GLN N N 106 112.000 112.000 116.376 -4.376 18788 5013 1 7 . 1 1 106 106 GLN HA H 106 4.320 4.320 4.196 0.124 18788 5014 1 7 . 1 1 106 106 GLN C C 106 175.600 175.600 175.457 0.143 18788 5015 1 7 . 1 1 106 106 GLN CA C 106 53.800 53.800 54.760 -0.960 18788 5016 1 7 . 1 1 106 106 GLN CB C 106 28.300 28.300 29.089 -0.789 18788 5017 1 7 . 1 1 106 106 GLN H H 106 7.120 7.120 8.067 -0.947 18788 5018 1 7 . 1 1 107 107 GLY N N 107 107.100 107.100 106.769 0.331 18788 5019 1 7 . 1 1 107 107 GLY C C 107 172.400 172.400 174.080 -1.680 18788 5020 1 7 . 1 1 107 107 GLY CA C 107 46.300 46.300 46.160 0.140 18788 5021 1 7 . 1 1 107 107 GLY H H 107 8.080 8.080 7.737 0.343 18788 5022 1 7 . 1 1 108 108 LEU N N 108 115.100 115.100 118.290 -3.190 18788 5023 1 7 . 1 1 108 108 LEU HA H 108 4.300 4.300 4.540 -0.240 18788 5024 1 7 . 1 1 108 108 LEU C C 108 172.500 172.500 175.304 -2.804 18788 5025 1 7 . 1 1 108 108 LEU CA C 108 53.300 53.300 54.541 -1.241 18788 5026 1 7 . 1 1 108 108 LEU CB C 108 43.500 43.500 43.770 -0.270 18788 5027 1 7 . 1 1 108 108 LEU H H 108 7.810 7.810 8.571 -0.761 18788 5028 1 7 . 1 1 109 109 ALA N N 109 112.900 112.900 119.400 -6.500 18788 5029 1 7 . 1 1 109 109 ALA HA H 109 4.500 4.500 4.588 -0.088 18788 5030 1 7 . 1 1 109 109 ALA C C 109 174.800 174.800 175.826 -1.026 18788 5031 1 7 . 1 1 109 109 ALA CA C 109 49.900 49.900 50.327 -0.427 18788 5032 1 7 . 1 1 109 109 ALA CB C 109 24.900 24.900 21.771 3.129 18788 5033 1 7 . 1 1 109 109 ALA H H 109 6.950 6.950 7.449 -0.499 18788 5034 1 7 . 1 1 110 110 LYS N N 110 117.700 117.700 119.671 -1.971 18788 5035 1 7 . 1 1 110 110 LYS HA H 110 5.120 5.120 4.928 0.192 18788 5036 1 7 . 1 1 110 110 LYS C C 110 175.800 175.800 175.779 0.021 18788 5037 1 7 . 1 1 110 110 LYS CA C 110 53.800 53.800 54.662 -0.862 18788 5038 1 7 . 1 1 110 110 LYS CB C 110 35.300 35.300 36.078 -0.778 18788 5039 1 7 . 1 1 110 110 LYS H H 110 7.890 7.890 7.828 0.062 18788 5040 1 7 . 1 1 111 111 VAL N N 111 123.100 123.100 121.714 1.386 18788 5041 1 7 . 1 1 111 111 VAL HA H 111 4.630 4.630 4.214 0.416 18788 5042 1 7 . 1 1 111 111 VAL C C 111 176.500 176.500 176.030 0.470 18788 5043 1 7 . 1 1 111 111 VAL CA C 111 63.100 63.100 63.860 -0.760 18788 5044 1 7 . 1 1 111 111 VAL CB C 111 30.600 30.600 31.581 -0.981 18788 5045 1 7 . 1 1 111 111 VAL H H 111 9.180 9.180 9.040 0.140 18788 5046 1 7 . 1 1 112 112 ALA N N 112 131.500 131.500 131.003 0.497 18788 5047 1 7 . 1 1 112 112 ALA HA H 112 4.150 4.150 4.433 -0.283 18788 5048 1 7 . 1 1 112 112 ALA C C 112 173.300 173.300 175.999 -2.699 18788 5049 1 7 . 1 1 112 112 ALA CA C 112 51.300 51.300 49.799 1.501 18788 5050 1 7 . 1 1 112 112 ALA CB C 112 23.900 23.900 20.988 2.912 18788 5051 1 7 . 1 1 112 112 ALA H H 112 8.000 8.000 8.223 -0.223 18788 5052 1 7 . 1 1 114 114 VAL N N 114 123.100 123.100 124.686 -1.586 18788 5053 1 7 . 1 1 114 114 VAL HA H 114 3.550 3.550 3.884 -0.334 18788 5054 1 7 . 1 1 114 114 VAL C C 114 174.600 174.600 175.324 -0.724 18788 5055 1 7 . 1 1 114 114 VAL CA C 114 62.000 62.000 62.210 -0.210 18788 5056 1 7 . 1 1 114 114 VAL CB C 114 30.300 30.300 31.622 -1.322 18788 5057 1 7 . 1 1 114 114 VAL H H 114 7.480 7.480 7.970 -0.490 18788 5058 1 7 . 1 1 115 115 TYR N N 115 130.100 130.100 127.539 2.561 18788 5059 1 7 . 1 1 115 115 TYR HA H 115 4.940 4.940 4.726 0.214 18788 5060 1 7 . 1 1 115 115 TYR C C 115 175.700 175.700 175.046 0.654 18788 5061 1 7 . 1 1 115 115 TYR CA C 115 54.900 54.900 56.186 -1.286 18788 5062 1 7 . 1 1 115 115 TYR CB C 115 38.200 38.200 39.478 -1.278 18788 5063 1 7 . 1 1 115 115 TYR H H 115 8.970 8.970 8.456 0.514 18788 5064 1 7 . 1 1 116 116 LYS N N 116 125.400 125.400 126.733 -1.333 18788 5065 1 7 . 1 1 116 116 LYS HA H 116 3.940 3.940 4.508 -0.568 18788 5066 1 7 . 1 1 116 116 LYS C C 116 175.100 175.100 175.594 -0.494 18788 5067 1 7 . 1 1 116 116 LYS CA C 116 56.400 56.400 55.496 0.904 18788 5068 1 7 . 1 1 116 116 LYS CB C 116 31.600 31.600 32.037 -0.437 18788 5069 1 7 . 1 1 116 116 LYS H H 116 8.770 8.770 8.840 -0.070 18788 5070 1 7 . 1 1 117 117 PRO HA H 117 4.620 4.620 4.648 -0.028 18788 5071 1 7 . 1 1 117 117 PRO C C 117 175.600 175.600 175.934 -0.334 18788 5072 1 7 . 1 1 117 117 PRO CA C 117 64.100 64.100 62.937 1.163 18788 5073 1 7 . 1 1 117 117 PRO CB C 117 32.600 32.600 31.967 0.633 18788 5074 1 7 . 1 1 118 118 ASN N N 118 128.800 128.800 121.308 7.492 18788 5075 1 7 . 1 1 118 118 ASN HA H 118 5.310 5.310 4.958 0.352 18788 5076 1 7 . 1 1 118 118 ASN C C 118 174.500 174.500 174.214 0.286 18788 5077 1 7 . 1 1 118 118 ASN CA C 118 51.600 51.600 53.502 -1.902 18788 5078 1 7 . 1 1 118 118 ASN CB C 118 36.200 36.200 37.612 -1.413 18788 5079 1 7 . 1 1 118 118 ASN H H 118 8.710 8.710 7.964 0.746 18788 5080 1 7 . 1 1 119 119 ASN N N 119 117.600 117.600 117.645 -0.045 18788 5081 1 7 . 1 1 119 119 ASN HA H 119 5.020 5.020 4.948 0.072 18788 5082 1 7 . 1 1 119 119 ASN C C 119 177.500 177.500 175.755 1.745 18788 5083 1 7 . 1 1 119 119 ASN CA C 119 51.900 51.900 53.194 -1.294 18788 5084 1 7 . 1 1 119 119 ASN CB C 119 39.100 39.100 39.195 -0.095 18788 5085 1 7 . 1 1 119 119 ASN H H 119 8.120 8.120 8.366 -0.246 18788 5086 1 7 . 1 1 120 120 THR N N 120 124.400 124.400 117.322 7.078 18788 5087 1 7 . 1 1 120 120 THR HA H 120 3.850 3.850 4.245 -0.395 18788 5088 1 7 . 1 1 120 120 THR C C 120 176.400 176.400 174.850 1.550 18788 5089 1 7 . 1 1 120 120 THR CA C 120 69.100 69.100 65.087 4.013 18788 5090 1 7 . 1 1 120 120 THR CB C 120 66.800 66.800 68.883 -2.083 18788 5091 1 7 . 1 1 120 120 THR H H 120 10.730 10.730 9.084 1.646 18788 5092 1 7 . 1 1 121 121 HIS N N 121 113.400 113.400 118.429 -5.029 18788 5093 1 7 . 1 1 121 121 HIS HA H 121 5.420 5.420 4.907 0.513 18788 5094 1 7 . 1 1 121 121 HIS C C 121 174.800 174.800 175.038 -0.238 18788 5095 1 7 . 1 1 121 121 HIS CA C 121 53.900 53.900 55.714 -1.814 18788 5096 1 7 . 1 1 121 121 HIS CB C 121 29.400 29.400 30.184 -0.784 18788 5097 1 7 . 1 1 121 121 HIS H H 121 6.860 6.860 7.873 -1.013 18788 5098 1 7 . 1 1 122 122 GLU N N 122 120.200 120.200 120.680 -0.480 18788 5099 1 7 . 1 1 122 122 GLU HA H 122 3.700 3.700 3.980 -0.280 18788 5100 1 7 . 1 1 122 122 GLU C C 122 177.200 177.200 178.014 -0.814 18788 5101 1 7 . 1 1 122 122 GLU CA C 122 61.200 61.200 59.845 1.355 18788 5102 1 7 . 1 1 122 122 GLU CB C 122 29.900 29.900 29.153 0.747 18788 5103 1 7 . 1 1 122 122 GLU H H 122 7.540 7.540 7.810 -0.270 18788 5104 1 7 . 1 1 123 123 GLN N N 123 117.200 117.200 118.087 -0.887 18788 5105 1 7 . 1 1 123 123 GLN HA H 123 3.970 3.970 4.072 -0.102 18788 5106 1 7 . 1 1 123 123 GLN C C 123 178.600 178.600 178.056 0.544 18788 5107 1 7 . 1 1 123 123 GLN CA C 123 59.500 59.500 58.259 1.241 18788 5108 1 7 . 1 1 123 123 GLN CB C 123 27.100 27.100 27.661 -0.561 18788 5109 1 7 . 1 1 123 123 GLN H H 123 8.920 8.920 8.381 0.539 18788 5110 1 7 . 1 1 124 124 LEU N N 124 122.000 122.000 121.722 0.278 18788 5111 1 7 . 1 1 124 124 LEU HA H 124 4.090 4.090 4.098 -0.008 18788 5112 1 7 . 1 1 124 124 LEU C C 124 179.100 179.100 178.503 0.597 18788 5113 1 7 . 1 1 124 124 LEU CA C 124 58.600 58.600 57.283 1.317 18788 5114 1 7 . 1 1 124 124 LEU CB C 124 42.000 42.000 40.904 1.096 18788 5115 1 7 . 1 1 124 124 LEU H H 124 7.940 7.940 7.812 0.128 18788 5116 1 7 . 1 1 125 125 LEU N N 125 118.900 118.900 118.815 0.085 18788 5117 1 7 . 1 1 125 125 LEU HA H 125 4.000 4.000 3.979 0.021 18788 5118 1 7 . 1 1 125 125 LEU C C 125 179.200 179.200 179.116 0.084 18788 5119 1 7 . 1 1 125 125 LEU CA C 125 58.900 58.900 57.839 1.061 18788 5120 1 7 . 1 1 125 125 LEU CB C 125 41.100 41.100 41.277 -0.177 18788 5121 1 7 . 1 1 125 125 LEU H H 125 8.030 8.030 7.821 0.209 18788 5122 1 7 . 1 1 126 126 ARG N N 126 118.800 118.800 119.530 -0.730 18788 5123 1 7 . 1 1 126 126 ARG HA H 126 4.030 4.030 3.895 0.135 18788 5124 1 7 . 1 1 126 126 ARG C C 126 179.700 179.700 178.446 1.254 18788 5125 1 7 . 1 1 126 126 ARG CA C 126 60.600 60.600 60.065 0.535 18788 5126 1 7 . 1 1 126 126 ARG CB C 126 29.100 29.100 29.939 -0.839 18788 5127 1 7 . 1 1 126 126 ARG H H 126 9.010 9.010 8.175 0.835 18788 5128 1 7 . 1 1 127 127 LYS N N 127 122.700 122.700 119.678 3.022 18788 5129 1 7 . 1 1 127 127 LYS HA H 127 4.150 4.150 4.072 0.078 18788 5130 1 7 . 1 1 127 127 LYS C C 127 179.800 179.800 178.932 0.868 18788 5131 1 7 . 1 1 127 127 LYS CA C 127 60.100 60.100 59.008 1.092 18788 5132 1 7 . 1 1 127 127 LYS CB C 127 31.700 31.700 31.391 0.309 18788 5133 1 7 . 1 1 127 127 LYS H H 127 8.160 8.160 7.661 0.499 18788 5134 1 7 . 1 1 128 128 SER N N 128 118.300 118.300 117.303 0.997 18788 5135 1 7 . 1 1 128 128 SER HA H 128 4.320 4.320 4.094 0.226 18788 5136 1 7 . 1 1 128 128 SER C C 128 175.500 175.500 176.528 -1.028 18788 5137 1 7 . 1 1 128 128 SER CA C 128 63.600 63.600 62.750 0.850 18788 5138 1 7 . 1 1 128 128 SER CB C 128 62.600 62.600 62.807 -0.207 18788 5139 1 7 . 1 1 128 128 SER H H 128 7.830 7.830 7.758 0.072 18788 5140 1 7 . 1 1 129 129 GLU N N 129 125.200 125.200 122.978 2.222 18788 5141 1 7 . 1 1 129 129 GLU HA H 129 3.900 3.900 4.027 -0.127 18788 5142 1 7 . 1 1 129 129 GLU C C 129 177.400 177.400 178.183 -0.783 18788 5143 1 7 . 1 1 129 129 GLU CA C 129 59.200 59.200 59.133 0.067 18788 5144 1 7 . 1 1 129 129 GLU CB C 129 30.900 30.900 29.808 1.092 18788 5145 1 7 . 1 1 129 129 GLU H H 129 8.580 8.580 8.147 0.433 18788 5146 1 7 . 1 1 130 130 ALA N N 130 119.500 119.500 121.943 -2.443 18788 5147 1 7 . 1 1 130 130 ALA HA H 130 3.850 3.850 3.761 0.089 18788 5148 1 7 . 1 1 130 130 ALA C C 130 181.000 181.000 179.507 1.493 18788 5149 1 7 . 1 1 130 130 ALA CA C 130 55.000 55.000 55.281 -0.281 18788 5150 1 7 . 1 1 130 130 ALA CB C 130 17.600 17.600 17.734 -0.134 18788 5151 1 7 . 1 1 130 130 ALA H H 130 7.950 7.950 8.067 -0.117 18788 5152 1 7 . 1 1 131 131 GLN N N 131 118.600 118.600 118.875 -0.275 18788 5153 1 7 . 1 1 131 131 GLN HA H 131 3.990 3.990 3.919 0.071 18788 5154 1 7 . 1 1 131 131 GLN C C 131 177.200 177.200 177.844 -0.644 18788 5155 1 7 . 1 1 131 131 GLN CA C 131 58.800 58.800 58.952 -0.152 18788 5156 1 7 . 1 1 131 131 GLN CB C 131 28.000 28.000 28.622 -0.622 18788 5157 1 7 . 1 1 131 131 GLN H H 131 7.520 7.520 8.099 -0.579 18788 5158 1 7 . 1 1 132 132 ALA N N 132 123.100 123.100 121.788 1.312 18788 5159 1 7 . 1 1 132 132 ALA HA H 132 3.930 3.930 4.011 -0.081 18788 5160 1 7 . 1 1 132 132 ALA C C 132 179.500 179.500 179.450 0.050 18788 5161 1 7 . 1 1 132 132 ALA CA C 132 55.600 55.600 55.030 0.570 18788 5162 1 7 . 1 1 132 132 ALA CB C 132 18.400 18.400 18.425 -0.025 18788 5163 1 7 . 1 1 132 132 ALA H H 132 8.000 8.000 7.902 0.098 18788 5164 1 7 . 1 1 133 133 LYS N N 133 117.200 117.200 118.229 -1.029 18788 5165 1 7 . 1 1 133 133 LYS HA H 133 3.450 3.450 3.438 0.012 18788 5166 1 7 . 1 1 133 133 LYS C C 133 180.800 180.800 179.537 1.263 18788 5167 1 7 . 1 1 133 133 LYS CA C 133 59.500 59.500 59.192 0.308 18788 5168 1 7 . 1 1 133 133 LYS CB C 133 32.200 32.200 31.946 0.254 18788 5169 1 7 . 1 1 133 133 LYS H H 133 8.170 8.170 7.918 0.252 18788 5170 1 7 . 1 1 134 134 LYS N N 134 122.600 122.600 119.186 3.414 18788 5171 1 7 . 1 1 134 134 LYS HA H 134 3.960 3.960 4.067 -0.107 18788 5172 1 7 . 1 1 134 134 LYS C C 134 178.700 178.700 178.317 0.383 18788 5173 1 7 . 1 1 134 134 LYS CA C 134 59.200 59.200 58.740 0.460 18788 5174 1 7 . 1 1 134 134 LYS CB C 134 32.200 32.200 32.047 0.153 18788 5175 1 7 . 1 1 134 134 LYS H H 134 7.830 7.830 7.861 -0.031 18788 5176 1 7 . 1 1 135 135 GLU N N 135 116.500 116.500 117.017 -0.517 18788 5177 1 7 . 1 1 135 135 GLU HA H 135 4.030 4.030 4.414 -0.384 18788 5178 1 7 . 1 1 135 135 GLU C C 135 174.500 174.500 174.982 -0.482 18788 5179 1 7 . 1 1 135 135 GLU CA C 135 56.700 56.700 56.012 0.688 18788 5180 1 7 . 1 1 135 135 GLU CB C 135 29.700 29.700 29.802 -0.102 18788 5181 1 7 . 1 1 135 135 GLU H H 135 7.680 7.680 7.574 0.106 18788 5182 1 7 . 1 1 136 136 LYS N N 136 116.800 116.800 117.063 -0.263 18788 5183 1 7 . 1 1 136 136 LYS HA H 136 3.540 3.540 3.959 -0.419 18788 5184 1 7 . 1 1 136 136 LYS C C 136 175.000 175.000 175.812 -0.812 18788 5185 1 7 . 1 1 136 136 LYS CA C 136 56.800 56.800 56.589 0.211 18788 5186 1 7 . 1 1 136 136 LYS CB C 136 28.800 28.800 29.612 -0.812 18788 5187 1 7 . 1 1 136 136 LYS H H 136 7.820 7.820 7.552 0.268 18788 5188 1 7 . 1 1 137 137 LEU N N 137 117.000 117.000 119.445 -2.445 18788 5189 1 7 . 1 1 137 137 LEU HA H 137 4.190 4.190 4.216 -0.026 18788 5190 1 7 . 1 1 137 137 LEU C C 137 178.500 178.500 178.097 0.403 18788 5191 1 7 . 1 1 137 137 LEU CA C 137 55.000 55.000 55.218 -0.218 18788 5192 1 7 . 1 1 137 137 LEU CB C 137 44.000 44.000 41.860 2.140 18788 5193 1 7 . 1 1 137 137 LEU H H 137 7.650 7.650 8.299 -0.649 18788 5194 1 7 . 1 1 138 138 ASN N N 138 118.700 118.700 119.318 -0.618 18788 5195 1 7 . 1 1 138 138 ASN HA H 138 3.730 3.730 4.302 -0.572 18788 5196 1 7 . 1 1 138 138 ASN C C 138 176.300 176.300 177.657 -1.357 18788 5197 1 7 . 1 1 138 138 ASN CA C 138 56.600 56.600 56.416 0.184 18788 5198 1 7 . 1 1 138 138 ASN CB C 138 38.700 38.700 38.483 0.217 18788 5199 1 7 . 1 1 138 138 ASN H H 138 9.050 9.050 8.679 0.371 18788 5200 1 7 . 1 1 139 139 ILE N N 139 123.800 123.800 118.974 4.826 18788 5201 1 7 . 1 1 139 139 ILE HA H 139 3.380 3.380 3.768 -0.388 18788 5202 1 7 . 1 1 139 139 ILE C C 139 176.700 176.700 176.379 0.321 18788 5203 1 7 . 1 1 139 139 ILE CA C 139 65.700 65.700 63.373 2.327 18788 5204 1 7 . 1 1 139 139 ILE CB C 139 37.000 37.000 38.159 -1.159 18788 5205 1 7 . 1 1 139 139 ILE H H 139 8.350 8.350 8.004 0.346 18788 5206 1 7 . 1 1 140 140 TRP N N 140 119.700 119.700 118.586 1.114 18788 5207 1 7 . 1 1 140 140 TRP HA H 140 4.940 4.940 4.526 0.414 18788 5208 1 7 . 1 1 140 140 TRP C C 140 176.200 176.200 176.369 -0.169 18788 5209 1 7 . 1 1 140 140 TRP CA C 140 54.900 54.900 56.796 -1.896 18788 5210 1 7 . 1 1 140 140 TRP CB C 140 30.000 30.000 29.690 0.310 18788 5211 1 7 . 1 1 140 140 TRP H H 140 7.850 7.850 7.457 0.393 18788 5212 1 7 . 1 1 141 141 SER N N 141 116.100 116.100 116.003 0.097 18788 5213 1 7 . 1 1 141 141 SER HA H 141 4.220 4.220 4.550 -0.330 18788 5214 1 7 . 1 1 141 141 SER C C 141 175.200 175.200 174.459 0.741 18788 5215 1 7 . 1 1 141 141 SER CA C 141 59.800 59.800 58.789 1.011 18788 5216 1 7 . 1 1 141 141 SER CB C 141 64.600 64.600 62.231 2.369 18788 5217 1 7 . 1 1 141 141 SER H H 141 8.080 8.080 7.771 0.309 18788 5218 1 7 . 1 1 142 142 GLU N N 142 121.200 121.200 125.844 -4.644 18788 5219 1 7 . 1 1 142 142 GLU HA H 142 4.430 4.430 4.163 0.267 18788 5220 1 7 . 1 1 142 142 GLU C C 142 176.200 176.200 176.619 -0.419 18788 5221 1 7 . 1 1 142 142 GLU CA C 142 56.100 56.100 56.934 -0.834 18788 5222 1 7 . 1 1 142 142 GLU CB C 142 30.500 30.500 30.336 0.164 18788 5223 1 7 . 1 1 142 142 GLU H H 142 8.020 8.020 7.876 0.144 18788 5224 1 7 . 1 1 143 143 ASP N N 143 121.400 121.400 122.720 -1.320 18788 5225 1 7 . 1 1 143 143 ASP HA H 143 4.620 4.620 4.499 0.121 18788 5226 1 7 . 1 1 143 143 ASP C C 143 176.100 176.100 176.361 -0.261 18788 5227 1 7 . 1 1 143 143 ASP CA C 143 54.800 54.800 55.206 -0.406 18788 5228 1 7 . 1 1 143 143 ASP CB C 143 41.200 41.200 41.620 -0.420 18788 5229 1 7 . 1 1 143 143 ASP H H 143 8.370 8.370 8.419 -0.049 18788 5230 1 7 . 1 1 144 144 ASN N N 144 119.300 119.300 122.631 -3.331 18788 5231 1 7 . 1 1 144 144 ASN HA H 144 4.760 4.760 4.689 0.071 18788 5232 1 7 . 1 1 144 144 ASN C C 144 175.200 175.200 174.757 0.443 18788 5233 1 7 . 1 1 144 144 ASN CA C 144 53.200 53.200 53.572 -0.372 18788 5234 1 7 . 1 1 144 144 ASN CB C 144 39.000 39.000 39.115 -0.115 18788 5235 1 7 . 1 1 144 144 ASN H H 144 8.400 8.400 8.649 -0.249 18788 5236 1 7 . 1 1 145 145 ALA N N 145 124.300 124.300 122.906 1.394 18788 5237 1 7 . 1 1 145 145 ALA HA H 145 4.310 4.310 4.404 -0.094 18788 5238 1 7 . 1 1 145 145 ALA C C 145 177.700 177.700 176.127 1.573 18788 5239 1 7 . 1 1 145 145 ALA CA C 145 53.300 53.300 52.291 1.009 18788 5240 1 7 . 1 1 145 145 ALA CB C 145 19.200 19.200 20.068 -0.868 18788 5241 1 7 . 1 1 145 145 ALA H H 145 8.240 8.240 7.917 0.323 18788 5242 1 7 . 1 1 146 146 ASP N N 146 119.200 119.200 120.275 -1.075 18788 5243 1 7 . 1 1 146 146 ASP HA H 146 4.670 4.670 4.729 -0.059 18788 5244 1 7 . 1 1 146 146 ASP C C 146 176.400 176.400 176.784 -0.384 18788 5245 1 7 . 1 1 146 146 ASP CA C 146 54.400 54.400 54.109 0.291 18788 5246 1 7 . 1 1 146 146 ASP CB C 146 41.200 41.200 40.117 1.083 18788 5247 1 7 . 1 1 146 146 ASP H H 146 8.340 8.340 8.464 -0.124 18788 5248 1 7 . 1 1 147 147 SER N N 147 116.100 116.100 121.035 -4.935 18788 5249 1 7 . 1 1 147 147 SER HA H 147 4.450 4.450 4.536 -0.086 18788 5250 1 7 . 1 1 147 147 SER C C 147 175.200 175.200 175.880 -0.680 18788 5251 1 7 . 1 1 147 147 SER CA C 147 58.900 58.900 58.814 0.086 18788 5252 1 7 . 1 1 147 147 SER CB C 147 64.100 64.100 64.122 -0.022 18788 5253 1 7 . 1 1 147 147 SER H H 147 8.220 8.220 8.313 -0.093 18788 5254 1 7 . 1 1 148 148 GLY N N 148 111.200 111.200 109.909 1.291 18788 5255 1 7 . 1 1 148 148 GLY C C 148 173.400 173.400 172.521 0.879 18788 5256 1 7 . 1 1 148 148 GLY CA C 148 45.500 45.500 45.364 0.137 18788 5257 1 7 . 1 1 148 148 GLY H H 148 8.470 8.470 8.628 -0.158 18788 5258 1 8 . 1 1 2 2 THR N N 2 120.300 120.300 117.151 3.149 18788 5259 1 8 . 1 1 2 2 THR HA H 2 4.430 4.430 4.231 0.199 18788 5260 1 8 . 1 1 2 2 THR C C 2 174.400 174.400 174.276 0.124 18788 5261 1 8 . 1 1 2 2 THR CA C 2 62.100 62.100 62.621 -0.521 18788 5262 1 8 . 1 1 2 2 THR CB C 2 69.900 69.900 69.160 0.740 18788 5263 1 8 . 1 1 2 2 THR H H 2 8.320 8.320 8.249 0.071 18788 5264 1 8 . 1 1 3 3 SER N N 3 118.700 118.700 122.921 -4.221 18788 5265 1 8 . 1 1 3 3 SER HA H 3 5.000 5.000 4.580 0.420 18788 5266 1 8 . 1 1 3 3 SER CA C 3 58.400 58.400 57.439 0.961 18788 5267 1 8 . 1 1 3 3 SER CB C 3 68.800 68.800 63.818 4.982 18788 5268 1 8 . 1 1 3 3 SER H H 3 8.520 8.520 8.402 0.118 18788 5269 1 8 . 1 1 4 4 THR HA H 4 4.380 4.380 4.228 0.152 18788 5270 1 8 . 1 1 4 4 THR C C 4 174.400 174.400 174.240 0.160 18788 5271 1 8 . 1 1 4 4 THR CA C 4 62.000 62.000 64.263 -2.263 18788 5272 1 8 . 1 1 4 4 THR CB C 4 69.700 69.700 68.540 1.160 18788 5273 1 8 . 1 1 5 5 LYS N N 5 124.000 124.000 125.722 -1.722 18788 5274 1 8 . 1 1 5 5 LYS HA H 5 4.370 4.370 4.212 0.158 18788 5275 1 8 . 1 1 5 5 LYS C C 5 176.100 176.100 175.384 0.716 18788 5276 1 8 . 1 1 5 5 LYS CA C 5 56.500 56.500 56.536 -0.036 18788 5277 1 8 . 1 1 5 5 LYS CB C 5 32.900 32.900 32.992 -0.092 18788 5278 1 8 . 1 1 5 5 LYS H H 5 8.320 8.320 8.300 0.020 18788 5279 1 8 . 1 1 6 6 LYS N N 6 122.500 122.500 116.238 6.262 18788 5280 1 8 . 1 1 6 6 LYS HA H 6 4.400 4.400 3.918 0.482 18788 5281 1 8 . 1 1 6 6 LYS C C 6 176.200 176.200 175.598 0.602 18788 5282 1 8 . 1 1 6 6 LYS CA C 6 55.900 55.900 57.558 -1.658 18788 5283 1 8 . 1 1 6 6 LYS CB C 6 33.600 33.600 31.806 1.794 18788 5284 1 8 . 1 1 6 6 LYS H H 6 8.220 8.220 7.949 0.271 18788 5285 1 8 . 1 1 7 7 LEU N N 7 122.200 122.200 119.329 2.871 18788 5286 1 8 . 1 1 7 7 LEU HA H 7 4.550 4.550 5.054 -0.504 18788 5287 1 8 . 1 1 7 7 LEU C C 7 176.600 176.600 176.536 0.064 18788 5288 1 8 . 1 1 7 7 LEU CA C 7 54.800 54.800 53.122 1.678 18788 5289 1 8 . 1 1 7 7 LEU CB C 7 41.500 41.500 44.125 -2.625 18788 5290 1 8 . 1 1 7 7 LEU H H 7 8.340 8.340 8.515 -0.175 18788 5291 1 8 . 1 1 8 8 HIS N N 8 119.200 119.200 116.147 3.053 18788 5292 1 8 . 1 1 8 8 HIS HA H 8 4.990 4.990 4.848 0.142 18788 5293 1 8 . 1 1 8 8 HIS C C 8 173.700 173.700 174.569 -0.869 18788 5294 1 8 . 1 1 8 8 HIS CA C 8 55.300 55.300 54.905 0.395 18788 5295 1 8 . 1 1 8 8 HIS CB C 8 32.200 32.200 30.590 1.610 18788 5296 1 8 . 1 1 8 8 HIS H H 8 8.860 8.860 8.351 0.509 18788 5297 1 8 . 1 1 9 9 LYS N N 9 124.000 124.000 125.380 -1.380 18788 5298 1 8 . 1 1 9 9 LYS HA H 9 4.840 4.840 5.095 -0.255 18788 5299 1 8 . 1 1 9 9 LYS C C 9 176.400 176.400 176.883 -0.483 18788 5300 1 8 . 1 1 9 9 LYS CA C 9 55.700 55.700 55.145 0.555 18788 5301 1 8 . 1 1 9 9 LYS CB C 9 34.700 34.700 34.199 0.501 18788 5302 1 8 . 1 1 9 9 LYS H H 9 8.480 8.480 8.685 -0.205 18788 5303 1 8 . 1 1 10 10 GLU N N 10 123.100 123.100 123.005 0.095 18788 5304 1 8 . 1 1 10 10 GLU HA H 10 5.060 5.060 4.954 0.106 18788 5305 1 8 . 1 1 10 10 GLU C C 10 173.200 173.200 174.293 -1.093 18788 5306 1 8 . 1 1 10 10 GLU CA C 10 53.400 53.400 53.090 0.310 18788 5307 1 8 . 1 1 10 10 GLU CB C 10 33.000 33.000 31.601 1.399 18788 5308 1 8 . 1 1 10 10 GLU H H 10 9.390 9.390 8.880 0.510 18788 5309 1 8 . 1 1 11 11 PRO HA H 11 4.900 4.900 4.770 0.130 18788 5310 1 8 . 1 1 11 11 PRO C C 11 175.400 175.400 175.561 -0.161 18788 5311 1 8 . 1 1 11 11 PRO CA C 11 63.100 63.100 62.943 0.157 18788 5312 1 8 . 1 1 11 11 PRO CB C 11 33.000 33.000 32.390 0.610 18788 5313 1 8 . 1 1 12 12 ALA N N 12 119.700 119.700 123.718 -4.018 18788 5314 1 8 . 1 1 12 12 ALA HA H 12 4.990 4.990 5.345 -0.355 18788 5315 1 8 . 1 1 12 12 ALA C C 12 175.400 175.400 175.539 -0.139 18788 5316 1 8 . 1 1 12 12 ALA CA C 12 51.600 51.600 51.001 0.599 18788 5317 1 8 . 1 1 12 12 ALA CB C 12 24.600 24.600 23.377 1.224 18788 5318 1 8 . 1 1 12 12 ALA H H 12 8.070 8.070 8.663 -0.593 18788 5319 1 8 . 1 1 13 13 THR N N 13 109.100 109.100 115.500 -6.400 18788 5320 1 8 . 1 1 13 13 THR HA H 13 4.700 4.700 4.689 0.011 18788 5321 1 8 . 1 1 13 13 THR C C 13 174.000 174.000 173.264 0.736 18788 5322 1 8 . 1 1 13 13 THR CA C 13 60.700 60.700 61.431 -0.731 18788 5323 1 8 . 1 1 13 13 THR CB C 13 71.600 71.600 71.987 -0.387 18788 5324 1 8 . 1 1 13 13 THR H H 13 8.090 8.090 8.122 -0.032 18788 5325 1 8 . 1 1 14 14 LEU N N 14 125.200 125.200 127.510 -2.310 18788 5326 1 8 . 1 1 14 14 LEU HA H 14 4.140 4.140 4.274 -0.134 18788 5327 1 8 . 1 1 14 14 LEU C C 14 176.700 176.700 175.707 0.993 18788 5328 1 8 . 1 1 14 14 LEU CA C 14 56.800 56.800 55.636 1.164 18788 5329 1 8 . 1 1 14 14 LEU CB C 14 42.900 42.900 42.948 -0.048 18788 5330 1 8 . 1 1 14 14 LEU H H 14 9.150 9.150 8.730 0.420 18788 5331 1 8 . 1 1 15 15 ILE N N 15 125.200 125.200 124.699 0.501 18788 5332 1 8 . 1 1 15 15 ILE HA H 15 4.220 4.220 4.126 0.094 18788 5333 1 8 . 1 1 15 15 ILE C C 15 175.900 175.900 175.948 -0.048 18788 5334 1 8 . 1 1 15 15 ILE CA C 15 64.300 64.300 62.762 1.538 18788 5335 1 8 . 1 1 15 15 ILE CB C 15 38.700 38.700 38.916 -0.216 18788 5336 1 8 . 1 1 15 15 ILE H H 15 8.460 8.460 8.471 -0.011 18788 5337 1 8 . 1 1 16 16 LYS N N 16 114.100 114.100 118.412 -4.312 18788 5338 1 8 . 1 1 16 16 LYS HA H 16 4.460 4.460 4.616 -0.156 18788 5339 1 8 . 1 1 16 16 LYS C C 16 174.000 174.000 174.224 -0.224 18788 5340 1 8 . 1 1 16 16 LYS CA C 16 56.600 56.600 54.859 1.741 18788 5341 1 8 . 1 1 16 16 LYS CB C 16 35.300 35.300 36.440 -1.140 18788 5342 1 8 . 1 1 16 16 LYS H H 16 8.050 8.050 8.224 -0.174 18788 5343 1 8 . 1 1 17 17 ALA N N 17 129.100 129.100 126.890 2.210 18788 5344 1 8 . 1 1 17 17 ALA HA H 17 4.480 4.480 4.343 0.137 18788 5345 1 8 . 1 1 17 17 ALA C C 17 175.700 175.700 176.790 -1.090 18788 5346 1 8 . 1 1 17 17 ALA CA C 17 52.300 52.300 52.224 0.076 18788 5347 1 8 . 1 1 17 17 ALA CB C 17 18.200 18.200 19.028 -0.828 18788 5348 1 8 . 1 1 17 17 ALA H H 17 9.470 9.470 8.651 0.819 18788 5349 1 8 . 1 1 18 18 ILE N N 18 123.500 123.500 123.419 0.081 18788 5350 1 8 . 1 1 18 18 ILE HA H 18 4.110 4.110 3.978 0.132 18788 5351 1 8 . 1 1 18 18 ILE C C 18 175.100 175.100 176.070 -0.970 18788 5352 1 8 . 1 1 18 18 ILE CA C 18 63.200 63.200 62.122 1.078 18788 5353 1 8 . 1 1 18 18 ILE CB C 18 37.800 37.800 38.279 -0.479 18788 5354 1 8 . 1 1 18 18 ILE H H 18 8.070 8.070 8.236 -0.166 18788 5355 1 8 . 1 1 19 19 ASP N N 19 120.500 120.500 115.912 4.588 18788 5356 1 8 . 1 1 19 19 ASP HA H 19 4.730 4.730 4.674 0.056 18788 5357 1 8 . 1 1 19 19 ASP C C 19 176.800 176.800 175.486 1.314 18788 5358 1 8 . 1 1 19 19 ASP CA C 19 53.400 53.400 53.085 0.315 18788 5359 1 8 . 1 1 19 19 ASP CB C 19 40.100 40.100 41.480 -1.380 18788 5360 1 8 . 1 1 19 19 ASP H H 19 8.290 8.290 8.197 0.093 18788 5361 1 8 . 1 1 20 20 GLY N N 20 103.500 103.500 104.787 -1.287 18788 5362 1 8 . 1 1 20 20 GLY C C 20 173.300 173.300 175.408 -2.108 18788 5363 1 8 . 1 1 20 20 GLY CA C 20 47.700 47.700 47.234 0.466 18788 5364 1 8 . 1 1 20 20 GLY H H 20 8.460 8.460 8.605 -0.145 18788 5365 1 8 . 1 1 21 21 ASP N N 21 111.200 111.200 118.193 -6.993 18788 5366 1 8 . 1 1 21 21 ASP HA H 21 4.850 4.850 4.717 0.133 18788 5367 1 8 . 1 1 21 21 ASP C C 21 175.300 175.300 176.239 -0.939 18788 5368 1 8 . 1 1 21 21 ASP CA C 21 52.100 52.100 54.088 -1.988 18788 5369 1 8 . 1 1 21 21 ASP CB C 21 40.600 40.600 42.603 -2.003 18788 5370 1 8 . 1 1 21 21 ASP H H 21 7.640 7.640 8.706 -1.066 18788 5371 1 8 . 1 1 22 22 THR N N 22 113.200 113.200 118.458 -5.258 18788 5372 1 8 . 1 1 22 22 THR HA H 22 5.700 5.700 5.240 0.460 18788 5373 1 8 . 1 1 22 22 THR C C 22 174.000 174.000 173.661 0.339 18788 5374 1 8 . 1 1 22 22 THR CA C 22 61.000 61.000 62.749 -1.749 18788 5375 1 8 . 1 1 22 22 THR CB C 22 71.800 71.800 70.001 1.800 18788 5376 1 8 . 1 1 22 22 THR H H 22 7.610 7.610 8.528 -0.918 18788 5377 1 8 . 1 1 23 23 VAL N N 23 118.000 118.000 120.489 -2.489 18788 5378 1 8 . 1 1 23 23 VAL HA H 23 4.620 4.620 4.789 -0.169 18788 5379 1 8 . 1 1 23 23 VAL C C 23 172.100 172.100 173.339 -1.239 18788 5380 1 8 . 1 1 23 23 VAL CA C 23 60.100 60.100 59.173 0.927 18788 5381 1 8 . 1 1 23 23 VAL CB C 23 36.200 36.200 35.396 0.804 18788 5382 1 8 . 1 1 23 23 VAL H H 23 8.910 8.910 8.193 0.717 18788 5383 1 8 . 1 1 24 24 LYS N N 24 127.000 127.000 123.221 3.779 18788 5384 1 8 . 1 1 24 24 LYS HA H 24 5.440 5.440 5.391 0.049 18788 5385 1 8 . 1 1 24 24 LYS C C 24 175.200 175.200 175.045 0.155 18788 5386 1 8 . 1 1 24 24 LYS CA C 24 55.600 55.600 54.943 0.657 18788 5387 1 8 . 1 1 24 24 LYS CB C 24 34.400 34.400 34.617 -0.217 18788 5388 1 8 . 1 1 24 24 LYS H H 24 9.470 9.470 8.889 0.581 18788 5389 1 8 . 1 1 25 25 LEU N N 25 127.000 127.000 122.548 4.452 18788 5390 1 8 . 1 1 25 25 LEU HA H 25 5.210 5.210 4.986 0.224 18788 5391 1 8 . 1 1 25 25 LEU C C 25 174.500 174.500 174.822 -0.322 18788 5392 1 8 . 1 1 25 25 LEU CA C 25 53.100 53.100 52.790 0.310 18788 5393 1 8 . 1 1 25 25 LEU CB C 25 45.500 45.500 45.034 0.466 18788 5394 1 8 . 1 1 25 25 LEU H H 25 9.380 9.380 9.121 0.259 18788 5395 1 8 . 1 1 26 26 MET N N 26 122.000 122.000 119.928 2.072 18788 5396 1 8 . 1 1 26 26 MET HA H 26 4.880 4.880 4.890 -0.010 18788 5397 1 8 . 1 1 26 26 MET C C 26 175.100 175.100 174.518 0.582 18788 5398 1 8 . 1 1 26 26 MET CA C 26 54.700 54.700 55.368 -0.668 18788 5399 1 8 . 1 1 26 26 MET CB C 26 31.400 31.400 33.265 -1.865 18788 5400 1 8 . 1 1 26 26 MET H H 26 9.530 9.530 8.940 0.590 18788 5401 1 8 . 1 1 27 27 TYR N N 27 129.600 129.600 129.686 -0.086 18788 5402 1 8 . 1 1 27 27 TYR HA H 27 5.050 5.050 4.936 0.114 18788 5403 1 8 . 1 1 27 27 TYR C C 27 173.900 173.900 175.043 -1.143 18788 5404 1 8 . 1 1 27 27 TYR CA C 27 57.000 57.000 56.558 0.442 18788 5405 1 8 . 1 1 27 27 TYR CB C 27 41.700 41.700 39.828 1.872 18788 5406 1 8 . 1 1 27 27 TYR H H 27 9.040 9.040 9.466 -0.426 18788 5407 1 8 . 1 1 28 28 LYS N N 28 127.600 127.600 128.378 -0.778 18788 5408 1 8 . 1 1 28 28 LYS HA H 28 3.590 3.590 3.759 -0.169 18788 5409 1 8 . 1 1 28 28 LYS C C 28 176.900 176.900 176.092 0.808 18788 5410 1 8 . 1 1 28 28 LYS CA C 28 57.100 57.100 56.835 0.265 18788 5411 1 8 . 1 1 28 28 LYS CB C 28 29.700 29.700 30.183 -0.483 18788 5412 1 8 . 1 1 28 28 LYS H H 28 9.310 9.310 9.371 -0.061 18788 5413 1 8 . 1 1 29 29 GLY N N 29 102.400 102.400 102.333 0.067 18788 5414 1 8 . 1 1 29 29 GLY C C 29 173.600 173.600 174.144 -0.544 18788 5415 1 8 . 1 1 29 29 GLY CA C 29 45.600 45.600 44.890 0.710 18788 5416 1 8 . 1 1 29 29 GLY H H 29 8.450 8.450 8.599 -0.149 18788 5417 1 8 . 1 1 30 30 GLN N N 30 119.300 119.300 118.797 0.503 18788 5418 1 8 . 1 1 30 30 GLN HA H 30 5.030 5.030 4.901 0.129 18788 5419 1 8 . 1 1 30 30 GLN C C 30 173.200 173.200 173.202 -0.002 18788 5420 1 8 . 1 1 30 30 GLN CA C 30 52.200 52.200 52.014 0.186 18788 5421 1 8 . 1 1 30 30 GLN CB C 30 31.200 31.200 29.776 1.424 18788 5422 1 8 . 1 1 30 30 GLN H H 30 7.820 7.820 7.783 0.037 18788 5423 1 8 . 1 1 31 31 PRO HA H 31 4.880 4.880 4.975 -0.095 18788 5424 1 8 . 1 1 31 31 PRO C C 31 177.400 177.400 175.807 1.593 18788 5425 1 8 . 1 1 31 31 PRO CA C 31 62.600 62.600 63.069 -0.469 18788 5426 1 8 . 1 1 31 31 PRO CB C 31 31.900 31.900 31.864 0.036 18788 5427 1 8 . 1 1 32 32 MET N N 32 125.700 125.700 125.750 -0.050 18788 5428 1 8 . 1 1 32 32 MET HA H 32 4.670 4.670 4.966 -0.296 18788 5429 1 8 . 1 1 32 32 MET C C 32 174.600 174.600 174.259 0.341 18788 5430 1 8 . 1 1 32 32 MET CA C 32 55.800 55.800 54.472 1.328 18788 5431 1 8 . 1 1 32 32 MET CB C 32 37.200 37.200 37.364 -0.163 18788 5432 1 8 . 1 1 32 32 MET H H 32 9.570 9.570 9.368 0.202 18788 5433 1 8 . 1 1 33 33 THR N N 33 123.600 123.600 122.026 1.574 18788 5434 1 8 . 1 1 33 33 THR HA H 33 4.510 4.510 5.131 -0.621 18788 5435 1 8 . 1 1 33 33 THR C C 33 173.100 173.100 174.102 -1.002 18788 5436 1 8 . 1 1 33 33 THR CA C 33 64.300 64.300 62.922 1.378 18788 5437 1 8 . 1 1 33 33 THR CB C 33 68.800 68.800 69.469 -0.669 18788 5438 1 8 . 1 1 33 33 THR H H 33 8.990 8.990 8.604 0.386 18788 5439 1 8 . 1 1 34 34 PHE N N 34 126.100 126.100 126.308 -0.208 18788 5440 1 8 . 1 1 34 34 PHE HA H 34 4.890 4.890 4.954 -0.064 18788 5441 1 8 . 1 1 34 34 PHE C C 34 173.400 173.400 174.180 -0.780 18788 5442 1 8 . 1 1 34 34 PHE CA C 34 57.300 57.300 56.986 0.314 18788 5443 1 8 . 1 1 34 34 PHE CB C 34 41.900 41.900 42.277 -0.377 18788 5444 1 8 . 1 1 34 34 PHE H H 34 9.610 9.610 9.581 0.029 18788 5445 1 8 . 1 1 35 35 ARG N N 35 124.200 124.200 121.971 2.229 18788 5446 1 8 . 1 1 35 35 ARG HA H 35 5.080 5.080 4.720 0.360 18788 5447 1 8 . 1 1 35 35 ARG C C 35 174.600 174.600 174.053 0.547 18788 5448 1 8 . 1 1 35 35 ARG CA C 35 52.100 52.100 54.624 -2.524 18788 5449 1 8 . 1 1 35 35 ARG CB C 35 33.600 33.600 33.280 0.320 18788 5450 1 8 . 1 1 35 35 ARG H H 35 9.640 9.640 9.078 0.562 18788 5451 1 8 . 1 1 38 38 LEU HA H 38 4.330 4.330 4.119 0.211 18788 5452 1 8 . 1 1 38 38 LEU C C 38 175.200 175.200 177.327 -2.127 18788 5453 1 8 . 1 1 38 38 LEU CA C 38 56.600 56.600 56.099 0.501 18788 5454 1 8 . 1 1 38 38 LEU CB C 38 40.100 40.100 40.718 -0.618 18788 5455 1 8 . 1 1 39 39 VAL N N 39 104.500 104.500 113.146 -8.646 18788 5456 1 8 . 1 1 39 39 VAL HA H 39 5.580 5.580 5.093 0.487 18788 5457 1 8 . 1 1 39 39 VAL C C 39 175.600 175.600 174.305 1.295 18788 5458 1 8 . 1 1 39 39 VAL CA C 39 57.800 57.800 59.160 -1.360 18788 5459 1 8 . 1 1 39 39 VAL CB C 39 36.400 36.400 35.349 1.051 18788 5460 1 8 . 1 1 39 39 VAL H H 39 6.920 6.920 7.665 -0.745 18788 5461 1 8 . 1 1 40 40 ASP N N 40 121.500 121.500 123.232 -1.732 18788 5462 1 8 . 1 1 40 40 ASP HA H 40 5.260 5.260 5.203 0.057 18788 5463 1 8 . 1 1 40 40 ASP C C 40 174.600 174.600 175.393 -0.793 18788 5464 1 8 . 1 1 40 40 ASP CA C 40 54.100 54.100 53.341 0.759 18788 5465 1 8 . 1 1 40 40 ASP CB C 40 44.100 44.100 43.963 0.137 18788 5466 1 8 . 1 1 40 40 ASP H H 40 8.880 8.880 8.954 -0.074 18788 5467 1 8 . 1 1 41 41 THR N N 41 118.700 118.700 117.950 0.750 18788 5468 1 8 . 1 1 41 41 THR HA H 41 5.020 5.020 5.013 0.007 18788 5469 1 8 . 1 1 41 41 THR CA C 41 58.300 58.300 59.072 -0.772 18788 5470 1 8 . 1 1 41 41 THR CB C 41 68.900 68.900 69.141 -0.241 18788 5471 1 8 . 1 1 41 41 THR H H 41 8.520 8.520 9.366 -0.846 18788 5472 1 8 . 1 1 42 42 PRO HA H 42 4.440 4.440 4.593 -0.153 18788 5473 1 8 . 1 1 42 42 PRO CA C 42 62.200 62.200 62.353 -0.153 18788 5474 1 8 . 1 1 42 42 PRO CB C 42 32.300 32.300 32.959 -0.659 18788 5475 1 8 . 1 1 50 50 GLY C C 50 179.800 179.800 174.844 4.956 18788 5476 1 8 . 1 1 51 51 VAL N N 51 119.200 119.200 118.848 0.352 18788 5477 1 8 . 1 1 51 51 VAL HA H 51 4.160 4.160 4.066 0.094 18788 5478 1 8 . 1 1 51 51 VAL C C 51 178.600 178.600 176.737 1.863 18788 5479 1 8 . 1 1 51 51 VAL CA C 51 63.500 63.500 64.503 -1.003 18788 5480 1 8 . 1 1 51 51 VAL H H 51 7.820 7.820 8.368 -0.548 18788 5481 1 8 . 1 1 54 54 TYR C C 54 176.300 176.300 175.968 0.332 18788 5482 1 8 . 1 1 55 55 GLY N N 55 108.900 108.900 115.272 -6.372 18788 5483 1 8 . 1 1 55 55 GLY C C 55 174.300 174.300 171.715 2.585 18788 5484 1 8 . 1 1 55 55 GLY CA C 55 48.400 48.400 43.830 4.571 18788 5485 1 8 . 1 1 55 55 GLY H H 55 8.810 8.810 7.933 0.877 18788 5486 1 8 . 1 1 57 57 GLU HA H 57 4.010 4.010 3.870 0.140 18788 5487 1 8 . 1 1 57 57 GLU C C 57 179.500 179.500 178.181 1.319 18788 5488 1 8 . 1 1 57 57 GLU CA C 57 61.700 61.700 59.910 1.790 18788 5489 1 8 . 1 1 58 58 ALA N N 58 125.000 125.000 122.227 2.773 18788 5490 1 8 . 1 1 58 58 ALA HA H 58 4.170 4.170 3.905 0.265 18788 5491 1 8 . 1 1 58 58 ALA C C 58 178.700 178.700 179.637 -0.937 18788 5492 1 8 . 1 1 58 58 ALA CA C 58 55.800 55.800 55.406 0.394 18788 5493 1 8 . 1 1 58 58 ALA CB C 58 18.200 18.200 17.916 0.284 18788 5494 1 8 . 1 1 58 58 ALA H H 58 8.940 8.940 8.631 0.309 18788 5495 1 8 . 1 1 59 59 SER N N 59 111.900 111.900 114.563 -2.663 18788 5496 1 8 . 1 1 59 59 SER HA H 59 3.740 3.740 4.159 -0.419 18788 5497 1 8 . 1 1 59 59 SER C C 59 177.100 177.100 176.551 0.549 18788 5498 1 8 . 1 1 59 59 SER CA C 59 62.000 62.000 61.828 0.172 18788 5499 1 8 . 1 1 59 59 SER CB C 59 62.900 62.900 62.825 0.075 18788 5500 1 8 . 1 1 59 59 SER H H 59 8.340 8.340 8.326 0.014 18788 5501 1 8 . 1 1 60 60 ALA N N 60 122.900 122.900 124.357 -1.457 18788 5502 1 8 . 1 1 60 60 ALA HA H 60 4.070 4.070 4.065 0.005 18788 5503 1 8 . 1 1 60 60 ALA C C 60 179.100 179.100 178.724 0.376 18788 5504 1 8 . 1 1 60 60 ALA CA C 60 55.100 55.100 54.720 0.380 18788 5505 1 8 . 1 1 60 60 ALA CB C 60 18.200 18.200 18.465 -0.265 18788 5506 1 8 . 1 1 60 60 ALA H H 60 8.440 8.440 7.596 0.844 18788 5507 1 8 . 1 1 61 61 PHE N N 61 121.700 121.700 119.326 2.374 18788 5508 1 8 . 1 1 61 61 PHE HA H 61 4.050 4.050 4.087 -0.037 18788 5509 1 8 . 1 1 61 61 PHE C C 61 178.100 178.100 177.487 0.613 18788 5510 1 8 . 1 1 61 61 PHE CA C 61 61.800 61.800 61.997 -0.197 18788 5511 1 8 . 1 1 61 61 PHE CB C 61 39.800 39.800 39.297 0.502 18788 5512 1 8 . 1 1 61 61 PHE H H 61 8.190 8.190 8.685 -0.495 18788 5513 1 8 . 1 1 62 62 THR N N 62 120.200 120.200 115.814 4.386 18788 5514 1 8 . 1 1 62 62 THR HA H 62 3.560 3.560 3.772 -0.212 18788 5515 1 8 . 1 1 62 62 THR C C 62 175.300 175.300 176.243 -0.943 18788 5516 1 8 . 1 1 62 62 THR CA C 62 67.600 67.600 67.112 0.488 18788 5517 1 8 . 1 1 62 62 THR CB C 62 68.400 68.400 68.674 -0.274 18788 5518 1 8 . 1 1 62 62 THR H H 62 8.540 8.540 8.570 -0.030 18788 5519 1 8 . 1 1 63 63 LYS N N 63 120.000 120.000 121.887 -1.887 18788 5520 1 8 . 1 1 63 63 LYS HA H 63 3.560 3.560 3.792 -0.232 18788 5521 1 8 . 1 1 63 63 LYS C C 63 176.800 176.800 178.708 -1.908 18788 5522 1 8 . 1 1 63 63 LYS CA C 63 60.400 60.400 60.049 0.351 18788 5523 1 8 . 1 1 63 63 LYS CB C 63 33.300 33.300 32.279 1.020 18788 5524 1 8 . 1 1 63 63 LYS H H 63 7.910 7.910 7.834 0.076 18788 5525 1 8 . 1 1 64 64 LYS N N 64 117.200 117.200 117.546 -0.346 18788 5526 1 8 . 1 1 64 64 LYS HA H 64 3.940 3.940 3.984 -0.044 18788 5527 1 8 . 1 1 64 64 LYS C C 64 178.700 178.700 179.301 -0.601 18788 5528 1 8 . 1 1 64 64 LYS CA C 64 59.200 59.200 59.394 -0.194 18788 5529 1 8 . 1 1 64 64 LYS CB C 64 31.900 31.900 32.439 -0.539 18788 5530 1 8 . 1 1 64 64 LYS H H 64 8.000 8.000 8.105 -0.105 18788 5531 1 8 . 1 1 65 65 MET N N 65 116.200 116.200 117.122 -0.922 18788 5532 1 8 . 1 1 65 65 MET HA H 65 3.890 3.890 4.199 -0.309 18788 5533 1 8 . 1 1 65 65 MET C C 65 179.200 179.200 178.317 0.883 18788 5534 1 8 . 1 1 65 65 MET CA C 65 59.800 59.800 58.535 1.265 18788 5535 1 8 . 1 1 65 65 MET CB C 65 32.200 32.200 32.763 -0.563 18788 5536 1 8 . 1 1 65 65 MET H H 65 7.680 7.680 7.570 0.110 18788 5537 1 8 . 1 1 66 66 VAL N N 66 107.700 107.700 115.983 -8.283 18788 5538 1 8 . 1 1 66 66 VAL HA H 66 4.150 4.150 3.828 0.323 18788 5539 1 8 . 1 1 66 66 VAL C C 66 177.500 177.500 178.458 -0.958 18788 5540 1 8 . 1 1 66 66 VAL CA C 66 64.300 64.300 65.533 -1.233 18788 5541 1 8 . 1 1 66 66 VAL CB C 66 31.100 31.100 31.062 0.038 18788 5542 1 8 . 1 1 66 66 VAL H H 66 8.220 8.220 8.220 0.000 18788 5543 1 8 . 1 1 67 67 GLU N N 67 121.000 121.000 118.867 2.133 18788 5544 1 8 . 1 1 67 67 GLU HA H 67 3.960 3.960 4.123 -0.163 18788 5545 1 8 . 1 1 67 67 GLU C C 67 178.000 178.000 177.452 0.548 18788 5546 1 8 . 1 1 67 67 GLU CA C 67 59.200 59.200 58.847 0.353 18788 5547 1 8 . 1 1 67 67 GLU CB C 67 29.100 29.100 29.572 -0.472 18788 5548 1 8 . 1 1 67 67 GLU H H 67 8.750 8.750 8.037 0.713 18788 5549 1 8 . 1 1 68 68 ASN N N 68 113.400 113.400 114.893 -1.493 18788 5550 1 8 . 1 1 68 68 ASN HA H 68 4.660 4.660 4.751 -0.091 18788 5551 1 8 . 1 1 68 68 ASN C C 68 174.600 174.600 174.385 0.215 18788 5552 1 8 . 1 1 68 68 ASN CA C 68 53.400 53.400 53.440 -0.040 18788 5553 1 8 . 1 1 68 68 ASN CB C 68 38.900 38.900 39.496 -0.596 18788 5554 1 8 . 1 1 68 68 ASN H H 68 7.400 7.400 7.607 -0.207 18788 5555 1 8 . 1 1 69 69 ALA N N 69 121.100 121.100 122.168 -1.068 18788 5556 1 8 . 1 1 69 69 ALA HA H 69 4.490 4.490 4.222 0.268 18788 5557 1 8 . 1 1 69 69 ALA C C 69 177.800 177.800 177.119 0.681 18788 5558 1 8 . 1 1 69 69 ALA CA C 69 51.400 51.400 51.878 -0.478 18788 5559 1 8 . 1 1 69 69 ALA CB C 69 19.200 19.200 19.879 -0.679 18788 5560 1 8 . 1 1 69 69 ALA H H 69 6.680 6.680 7.207 -0.527 18788 5561 1 8 . 1 1 70 70 LYS N N 70 125.700 125.700 121.455 4.245 18788 5562 1 8 . 1 1 70 70 LYS HA H 70 4.370 4.370 4.253 0.117 18788 5563 1 8 . 1 1 70 70 LYS C C 70 177.800 177.800 177.186 0.614 18788 5564 1 8 . 1 1 70 70 LYS CA C 70 57.800 57.800 57.078 0.722 18788 5565 1 8 . 1 1 70 70 LYS CB C 70 32.000 32.000 33.212 -1.212 18788 5566 1 8 . 1 1 70 70 LYS H H 70 10.130 10.130 8.464 1.666 18788 5567 1 8 . 1 1 71 71 LYS N N 71 121.300 121.300 119.296 2.004 18788 5568 1 8 . 1 1 71 71 LYS HA H 71 4.660 4.660 4.511 0.149 18788 5569 1 8 . 1 1 71 71 LYS C C 71 174.600 174.600 174.858 -0.258 18788 5570 1 8 . 1 1 71 71 LYS CA C 71 55.500 55.500 55.712 -0.212 18788 5571 1 8 . 1 1 71 71 LYS CB C 71 35.400 35.400 32.778 2.622 18788 5572 1 8 . 1 1 71 71 LYS H H 71 8.920 8.920 7.908 1.012 18788 5573 1 8 . 1 1 72 72 ILE N N 72 128.900 128.900 127.650 1.250 18788 5574 1 8 . 1 1 72 72 ILE HA H 72 5.240 5.240 5.104 0.136 18788 5575 1 8 . 1 1 72 72 ILE C C 72 175.300 175.300 175.216 0.084 18788 5576 1 8 . 1 1 72 72 ILE CA C 72 58.700 58.700 60.272 -1.572 18788 5577 1 8 . 1 1 72 72 ILE CB C 72 38.100 38.100 39.155 -1.055 18788 5578 1 8 . 1 1 72 72 ILE H H 72 8.960 8.960 8.941 0.019 18788 5579 1 8 . 1 1 73 73 GLU N N 73 123.100 123.100 127.332 -4.232 18788 5580 1 8 . 1 1 73 73 GLU HA H 73 5.240 5.240 5.263 -0.023 18788 5581 1 8 . 1 1 73 73 GLU C C 73 174.900 174.900 175.453 -0.553 18788 5582 1 8 . 1 1 73 73 GLU CA C 73 53.600 53.600 54.300 -0.700 18788 5583 1 8 . 1 1 73 73 GLU CB C 73 36.200 36.200 33.682 2.518 18788 5584 1 8 . 1 1 73 73 GLU H H 73 8.810 8.810 9.083 -0.273 18788 5585 1 8 . 1 1 74 74 VAL N N 74 117.300 117.300 119.338 -2.038 18788 5586 1 8 . 1 1 74 74 VAL HA H 74 4.550 4.550 4.698 -0.148 18788 5587 1 8 . 1 1 74 74 VAL C C 74 174.000 174.000 174.420 -0.420 18788 5588 1 8 . 1 1 74 74 VAL CA C 74 59.500 59.500 60.006 -0.506 18788 5589 1 8 . 1 1 74 74 VAL CB C 74 34.200 34.200 32.833 1.367 18788 5590 1 8 . 1 1 74 74 VAL H H 74 9.510 9.510 9.084 0.426 18788 5591 1 8 . 1 1 75 75 GLU N N 75 126.900 126.900 128.192 -1.292 18788 5592 1 8 . 1 1 75 75 GLU HA H 75 5.160 5.160 4.989 0.171 18788 5593 1 8 . 1 1 75 75 GLU C C 75 175.600 175.600 175.553 0.047 18788 5594 1 8 . 1 1 75 75 GLU CA C 75 54.500 54.500 54.186 0.314 18788 5595 1 8 . 1 1 75 75 GLU CB C 75 35.900 35.900 31.912 3.988 18788 5596 1 8 . 1 1 75 75 GLU H H 75 8.860 8.860 9.118 -0.258 18788 5597 1 8 . 1 1 76 76 PHE N N 76 126.400 126.400 127.634 -1.234 18788 5598 1 8 . 1 1 76 76 PHE HA H 76 4.740 4.740 5.100 -0.360 18788 5599 1 8 . 1 1 76 76 PHE C C 76 175.600 175.600 175.949 -0.349 18788 5600 1 8 . 1 1 76 76 PHE CA C 76 59.500 59.500 58.510 0.990 18788 5601 1 8 . 1 1 76 76 PHE CB C 76 39.700 39.700 39.804 -0.104 18788 5602 1 8 . 1 1 76 76 PHE H H 76 8.770 8.770 8.889 -0.119 18788 5603 1 8 . 1 1 77 77 ASP N N 77 123.000 123.000 124.097 -1.097 18788 5604 1 8 . 1 1 77 77 ASP HA H 77 5.310 5.310 4.863 0.447 18788 5605 1 8 . 1 1 77 77 ASP C C 77 177.600 177.600 176.834 0.766 18788 5606 1 8 . 1 1 77 77 ASP CA C 77 51.800 51.800 54.574 -2.774 18788 5607 1 8 . 1 1 77 77 ASP CB C 77 42.900 42.900 43.266 -0.365 18788 5608 1 8 . 1 1 77 77 ASP H H 77 9.310 9.310 8.644 0.666 18788 5609 1 8 . 1 1 78 78 LYS N N 78 119.100 119.100 118.914 0.186 18788 5610 1 8 . 1 1 78 78 LYS HA H 78 4.240 4.240 4.456 -0.216 18788 5611 1 8 . 1 1 78 78 LYS C C 78 177.100 177.100 176.690 0.410 18788 5612 1 8 . 1 1 78 78 LYS CA C 78 57.700 57.700 57.215 0.485 18788 5613 1 8 . 1 1 78 78 LYS CB C 78 33.400 33.400 32.059 1.341 18788 5614 1 8 . 1 1 78 78 LYS H H 78 10.360 10.360 8.603 1.757 18788 5615 1 8 . 1 1 79 79 GLY N N 79 111.100 111.100 109.163 1.937 18788 5616 1 8 . 1 1 79 79 GLY C C 79 173.600 173.600 174.087 -0.487 18788 5617 1 8 . 1 1 79 79 GLY CA C 79 44.500 44.500 44.575 -0.075 18788 5618 1 8 . 1 1 79 79 GLY H H 79 8.680 8.680 8.050 0.630 18788 5619 1 8 . 1 1 80 80 GLN N N 80 124.800 124.800 120.139 4.661 18788 5620 1 8 . 1 1 80 80 GLN HA H 80 4.140 4.140 4.486 -0.346 18788 5621 1 8 . 1 1 80 80 GLN C C 80 176.900 176.900 175.434 1.466 18788 5622 1 8 . 1 1 80 80 GLN CA C 80 57.200 57.200 55.485 1.715 18788 5623 1 8 . 1 1 80 80 GLN CB C 80 29.200 29.200 30.885 -1.685 18788 5624 1 8 . 1 1 80 80 GLN H H 80 8.800 8.800 9.003 -0.203 18788 5625 1 8 . 1 1 81 81 ARG N N 81 120.700 120.700 119.369 1.331 18788 5626 1 8 . 1 1 81 81 ARG HA H 81 4.620 4.620 4.363 0.257 18788 5627 1 8 . 1 1 81 81 ARG C C 81 176.200 176.200 175.123 1.077 18788 5628 1 8 . 1 1 81 81 ARG CA C 81 57.500 57.500 57.313 0.187 18788 5629 1 8 . 1 1 81 81 ARG CB C 81 32.000 32.000 31.437 0.563 18788 5630 1 8 . 1 1 81 81 ARG H H 81 8.640 8.640 8.546 0.094 18788 5631 1 8 . 1 1 82 82 THR N N 82 107.900 107.900 109.512 -1.612 18788 5632 1 8 . 1 1 82 82 THR HA H 82 5.540 5.540 4.877 0.663 18788 5633 1 8 . 1 1 82 82 THR C C 82 174.600 174.600 173.528 1.072 18788 5634 1 8 . 1 1 82 82 THR CA C 82 58.400 58.400 59.485 -1.085 18788 5635 1 8 . 1 1 82 82 THR CB C 82 72.500 72.500 71.878 0.622 18788 5636 1 8 . 1 1 82 82 THR H H 82 7.300 7.300 7.387 -0.087 18788 5637 1 8 . 1 1 83 83 ASP N N 83 121.300 121.300 122.517 -1.217 18788 5638 1 8 . 1 1 83 83 ASP HA H 83 4.660 4.660 4.599 0.061 18788 5639 1 8 . 1 1 83 83 ASP C C 83 179.000 179.000 178.292 0.708 18788 5640 1 8 . 1 1 83 83 ASP CA C 83 51.700 51.700 53.275 -1.575 18788 5641 1 8 . 1 1 83 83 ASP CB C 83 42.100 42.100 42.717 -0.617 18788 5642 1 8 . 1 1 83 83 ASP H H 83 8.590 8.590 8.957 -0.367 18788 5643 1 8 . 1 1 85 85 TYR N N 85 119.300 119.300 117.982 1.318 18788 5644 1 8 . 1 1 85 85 TYR HA H 85 4.600 4.600 4.505 0.095 18788 5645 1 8 . 1 1 85 85 TYR C C 85 176.100 176.100 176.184 -0.084 18788 5646 1 8 . 1 1 85 85 TYR CA C 85 57.100 57.100 58.276 -1.176 18788 5647 1 8 . 1 1 85 85 TYR CB C 85 37.900 37.900 38.704 -0.804 18788 5648 1 8 . 1 1 85 85 TYR H H 85 7.650 7.650 8.458 -0.808 18788 5649 1 8 . 1 1 86 86 GLY N N 86 108.500 108.500 106.618 1.882 18788 5650 1 8 . 1 1 86 86 GLY C C 86 174.400 174.400 173.769 0.631 18788 5651 1 8 . 1 1 86 86 GLY CA C 86 45.400 45.400 44.855 0.545 18788 5652 1 8 . 1 1 86 86 GLY H H 86 8.120 8.120 8.014 0.106 18788 5653 1 8 . 1 1 87 87 ARG N N 87 121.600 121.600 120.587 1.013 18788 5654 1 8 . 1 1 87 87 ARG HA H 87 4.430 4.430 4.680 -0.250 18788 5655 1 8 . 1 1 87 87 ARG C C 87 177.000 177.000 176.413 0.587 18788 5656 1 8 . 1 1 87 87 ARG CA C 87 55.300 55.300 55.309 -0.009 18788 5657 1 8 . 1 1 87 87 ARG CB C 87 30.000 30.000 31.346 -1.346 18788 5658 1 8 . 1 1 87 87 ARG H H 87 8.600 8.600 7.606 0.994 18788 5659 1 8 . 1 1 88 88 GLY N N 88 108.000 108.000 108.825 -0.825 18788 5660 1 8 . 1 1 88 88 GLY C C 88 171.800 171.800 172.709 -0.909 18788 5661 1 8 . 1 1 88 88 GLY CA C 88 44.800 44.800 43.995 0.805 18788 5662 1 8 . 1 1 88 88 GLY H H 88 8.780 8.780 8.418 0.362 18788 5663 1 8 . 1 1 89 89 LEU N N 89 125.100 125.100 126.432 -1.332 18788 5664 1 8 . 1 1 89 89 LEU HA H 89 5.190 5.190 4.857 0.333 18788 5665 1 8 . 1 1 89 89 LEU C C 89 174.800 174.800 175.423 -0.623 18788 5666 1 8 . 1 1 89 89 LEU CA C 89 52.800 52.800 53.865 -1.065 18788 5667 1 8 . 1 1 89 89 LEU CB C 89 42.900 42.900 41.292 1.608 18788 5668 1 8 . 1 1 89 89 LEU H H 89 8.220 8.220 8.770 -0.550 18788 5669 1 8 . 1 1 90 90 ALA N N 90 119.900 119.900 124.152 -4.252 18788 5670 1 8 . 1 1 90 90 ALA HA H 90 4.790 4.790 4.690 0.100 18788 5671 1 8 . 1 1 90 90 ALA C C 90 177.000 177.000 175.876 1.124 18788 5672 1 8 . 1 1 90 90 ALA CA C 90 50.800 50.800 50.298 0.502 18788 5673 1 8 . 1 1 90 90 ALA CB C 90 23.700 23.700 22.164 1.536 18788 5674 1 8 . 1 1 90 90 ALA H H 90 7.400 7.400 7.731 -0.331 18788 5675 1 8 . 1 1 91 91 TYR N N 91 122.400 122.400 120.359 2.041 18788 5676 1 8 . 1 1 91 91 TYR HA H 91 4.650 4.650 4.447 0.203 18788 5677 1 8 . 1 1 91 91 TYR C C 91 174.600 174.600 174.941 -0.341 18788 5678 1 8 . 1 1 91 91 TYR CA C 91 57.200 57.200 57.666 -0.466 18788 5679 1 8 . 1 1 91 91 TYR CB C 91 37.600 37.600 39.158 -1.558 18788 5680 1 8 . 1 1 91 91 TYR H H 91 9.000 9.000 8.863 0.137 18788 5681 1 8 . 1 1 92 92 ILE N N 92 122.200 122.200 123.950 -1.750 18788 5682 1 8 . 1 1 92 92 ILE HA H 92 4.950 4.950 4.741 0.209 18788 5683 1 8 . 1 1 92 92 ILE C C 92 173.700 173.700 175.057 -1.357 18788 5684 1 8 . 1 1 92 92 ILE CA C 92 58.700 58.700 60.451 -1.751 18788 5685 1 8 . 1 1 92 92 ILE CB C 92 38.900 38.900 39.397 -0.497 18788 5686 1 8 . 1 1 92 92 ILE H H 92 7.830 7.830 8.743 -0.913 18788 5687 1 8 . 1 1 93 93 TYR N N 93 126.200 126.200 126.483 -0.283 18788 5688 1 8 . 1 1 93 93 TYR HA H 93 5.080 5.080 5.166 -0.086 18788 5689 1 8 . 1 1 93 93 TYR C C 93 173.900 173.900 174.544 -0.644 18788 5690 1 8 . 1 1 93 93 TYR CA C 93 56.500 56.500 55.968 0.532 18788 5691 1 8 . 1 1 93 93 TYR CB C 93 41.500 41.500 40.813 0.687 18788 5692 1 8 . 1 1 93 93 TYR H H 93 9.540 9.540 9.228 0.312 18788 5693 1 8 . 1 1 94 94 ALA N N 94 125.700 125.700 125.823 -0.123 18788 5694 1 8 . 1 1 94 94 ALA HA H 94 4.960 4.960 4.942 0.018 18788 5695 1 8 . 1 1 94 94 ALA C C 94 175.700 175.700 177.010 -1.310 18788 5696 1 8 . 1 1 94 94 ALA CA C 94 49.700 49.700 50.006 -0.306 18788 5697 1 8 . 1 1 94 94 ALA CB C 94 20.900 20.900 20.294 0.606 18788 5698 1 8 . 1 1 94 94 ALA H H 94 9.230 9.230 9.183 0.047 18788 5699 1 8 . 1 1 95 95 ASP N N 95 127.600 127.600 125.258 2.342 18788 5700 1 8 . 1 1 95 95 ASP HA H 95 4.430 4.430 4.177 0.253 18788 5701 1 8 . 1 1 95 95 ASP C C 95 176.100 176.100 176.412 -0.312 18788 5702 1 8 . 1 1 95 95 ASP CA C 95 56.500 56.500 55.285 1.216 18788 5703 1 8 . 1 1 95 95 ASP CB C 95 39.500 39.500 40.526 -1.026 18788 5704 1 8 . 1 1 95 95 ASP H H 95 9.720 9.720 9.456 0.264 18788 5705 1 8 . 1 1 96 96 GLY N N 96 103.000 103.000 102.288 0.712 18788 5706 1 8 . 1 1 96 96 GLY C C 96 173.800 173.800 174.303 -0.503 18788 5707 1 8 . 1 1 96 96 GLY CA C 96 45.400 45.400 45.182 0.218 18788 5708 1 8 . 1 1 96 96 GLY H H 96 9.420 9.420 8.451 0.969 18788 5709 1 8 . 1 1 97 97 LYS N N 97 121.400 121.400 122.073 -0.673 18788 5710 1 8 . 1 1 97 97 LYS HA H 97 4.670 4.670 4.608 0.062 18788 5711 1 8 . 1 1 97 97 LYS C C 97 176.000 176.000 175.387 0.613 18788 5712 1 8 . 1 1 97 97 LYS CA C 97 54.200 54.200 54.556 -0.356 18788 5713 1 8 . 1 1 97 97 LYS CB C 97 33.100 33.100 33.313 -0.213 18788 5714 1 8 . 1 1 97 97 LYS H H 97 7.870 7.870 7.973 -0.103 18788 5715 1 8 . 1 1 98 98 MET N N 98 127.000 127.000 127.261 -0.261 18788 5716 1 8 . 1 1 98 98 MET HA H 98 3.780 3.780 4.177 -0.397 18788 5717 1 8 . 1 1 98 98 MET C C 98 177.700 177.700 176.141 1.559 18788 5718 1 8 . 1 1 98 98 MET CA C 98 56.100 56.100 55.301 0.799 18788 5719 1 8 . 1 1 98 98 MET CB C 98 34.700 34.700 32.165 2.535 18788 5720 1 8 . 1 1 98 98 MET H H 98 9.280 9.280 9.126 0.154 18788 5721 1 8 . 1 1 99 99 VAL N N 99 103.700 103.700 128.119 -24.419 18788 5722 1 8 . 1 1 99 99 VAL HA H 99 3.730 3.730 3.538 0.192 18788 5723 1 8 . 1 1 99 99 VAL C C 99 177.200 177.200 177.888 -0.688 18788 5724 1 8 . 1 1 99 99 VAL CA C 99 66.100 66.100 65.905 0.195 18788 5725 1 8 . 1 1 99 99 VAL CB C 99 32.400 32.400 30.872 1.528 18788 5726 1 8 . 1 1 99 99 VAL H H 99 10.190 10.190 8.280 1.910 18788 5727 1 8 . 1 1 100 100 ASN N N 100 108.600 108.600 117.832 -9.232 18788 5728 1 8 . 1 1 100 100 ASN HA H 100 4.080 4.080 4.194 -0.114 18788 5729 1 8 . 1 1 100 100 ASN C C 100 174.200 174.200 177.208 -3.008 18788 5730 1 8 . 1 1 100 100 ASN CA C 100 57.200 57.200 57.333 -0.133 18788 5731 1 8 . 1 1 100 100 ASN CB C 100 34.700 34.700 38.377 -3.676 18788 5732 1 8 . 1 1 100 100 ASN H H 100 9.670 9.670 7.643 2.027 18788 5733 1 8 . 1 1 101 101 GLU N N 101 112.800 112.800 120.476 -7.676 18788 5734 1 8 . 1 1 101 101 GLU HA H 101 3.660 3.660 3.947 -0.287 18788 5735 1 8 . 1 1 101 101 GLU C C 101 176.100 176.100 178.427 -2.327 18788 5736 1 8 . 1 1 101 101 GLU CA C 101 59.800 59.800 59.407 0.393 18788 5737 1 8 . 1 1 101 101 GLU CB C 101 30.200 30.200 29.534 0.666 18788 5738 1 8 . 1 1 101 101 GLU H H 101 6.150 6.150 7.438 -1.288 18788 5739 1 8 . 1 1 102 102 ALA N N 102 122.600 122.600 122.936 -0.336 18788 5740 1 8 . 1 1 102 102 ALA HA H 102 4.070 4.070 4.060 0.010 18788 5741 1 8 . 1 1 102 102 ALA C C 102 179.800 179.800 180.079 -0.279 18788 5742 1 8 . 1 1 102 102 ALA CA C 102 55.300 55.300 55.291 0.009 18788 5743 1 8 . 1 1 102 102 ALA CB C 102 17.900 17.900 18.230 -0.330 18788 5744 1 8 . 1 1 102 102 ALA H H 102 7.810 7.810 8.346 -0.536 18788 5745 1 8 . 1 1 103 103 LEU N N 103 116.100 116.100 118.377 -2.277 18788 5746 1 8 . 1 1 103 103 LEU HA H 103 3.280 3.280 3.858 -0.578 18788 5747 1 8 . 1 1 103 103 LEU C C 103 178.900 178.900 178.960 -0.060 18788 5748 1 8 . 1 1 103 103 LEU CA C 103 57.800 57.800 58.137 -0.337 18788 5749 1 8 . 1 1 103 103 LEU CB C 103 45.500 45.500 41.372 4.128 18788 5750 1 8 . 1 1 103 103 LEU H H 103 8.070 8.070 8.709 -0.639 18788 5751 1 8 . 1 1 104 104 VAL N N 104 116.600 116.600 118.629 -2.029 18788 5752 1 8 . 1 1 104 104 VAL HA H 104 3.870 3.870 4.055 -0.185 18788 5753 1 8 . 1 1 104 104 VAL C C 104 180.300 180.300 179.629 0.671 18788 5754 1 8 . 1 1 104 104 VAL CA C 104 65.000 65.000 65.585 -0.585 18788 5755 1 8 . 1 1 104 104 VAL CB C 104 32.000 32.000 31.603 0.397 18788 5756 1 8 . 1 1 104 104 VAL H H 104 6.890 6.890 7.418 -0.528 18788 5757 1 8 . 1 1 105 105 ARG N N 105 122.400 122.400 120.072 2.328 18788 5758 1 8 . 1 1 105 105 ARG HA H 105 4.130 4.130 4.014 0.116 18788 5759 1 8 . 1 1 105 105 ARG C C 105 176.000 176.000 177.690 -1.690 18788 5760 1 8 . 1 1 105 105 ARG CA C 105 57.000 57.000 58.909 -1.909 18788 5761 1 8 . 1 1 105 105 ARG CB C 105 28.300 28.300 30.377 -2.076 18788 5762 1 8 . 1 1 105 105 ARG H H 105 9.140 9.140 8.520 0.620 18788 5763 1 8 . 1 1 106 106 GLN N N 106 112.000 112.000 115.120 -3.120 18788 5764 1 8 . 1 1 106 106 GLN HA H 106 4.320 4.320 4.309 0.011 18788 5765 1 8 . 1 1 106 106 GLN C C 106 175.600 175.600 175.527 0.073 18788 5766 1 8 . 1 1 106 106 GLN CA C 106 53.800 53.800 54.732 -0.932 18788 5767 1 8 . 1 1 106 106 GLN CB C 106 28.300 28.300 29.496 -1.196 18788 5768 1 8 . 1 1 106 106 GLN H H 106 7.120 7.120 7.965 -0.845 18788 5769 1 8 . 1 1 107 107 GLY N N 107 107.100 107.100 106.574 0.526 18788 5770 1 8 . 1 1 107 107 GLY C C 107 172.400 172.400 174.211 -1.811 18788 5771 1 8 . 1 1 107 107 GLY CA C 107 46.300 46.300 46.007 0.293 18788 5772 1 8 . 1 1 107 107 GLY H H 107 8.080 8.080 7.758 0.322 18788 5773 1 8 . 1 1 108 108 LEU N N 108 115.100 115.100 118.674 -3.574 18788 5774 1 8 . 1 1 108 108 LEU HA H 108 4.300 4.300 4.515 -0.215 18788 5775 1 8 . 1 1 108 108 LEU C C 108 172.500 172.500 175.063 -2.563 18788 5776 1 8 . 1 1 108 108 LEU CA C 108 53.300 53.300 54.641 -1.341 18788 5777 1 8 . 1 1 108 108 LEU CB C 108 43.500 43.500 43.048 0.452 18788 5778 1 8 . 1 1 108 108 LEU H H 108 7.810 7.810 8.656 -0.846 18788 5779 1 8 . 1 1 109 109 ALA N N 109 112.900 112.900 119.340 -6.440 18788 5780 1 8 . 1 1 109 109 ALA HA H 109 4.500 4.500 4.896 -0.396 18788 5781 1 8 . 1 1 109 109 ALA C C 109 174.800 174.800 175.942 -1.142 18788 5782 1 8 . 1 1 109 109 ALA CA C 109 49.900 49.900 50.268 -0.368 18788 5783 1 8 . 1 1 109 109 ALA CB C 109 24.900 24.900 21.800 3.100 18788 5784 1 8 . 1 1 109 109 ALA H H 109 6.950 6.950 7.492 -0.542 18788 5785 1 8 . 1 1 110 110 LYS N N 110 117.700 117.700 120.981 -3.281 18788 5786 1 8 . 1 1 110 110 LYS HA H 110 5.120 5.120 4.944 0.176 18788 5787 1 8 . 1 1 110 110 LYS C C 110 175.800 175.800 175.861 -0.061 18788 5788 1 8 . 1 1 110 110 LYS CA C 110 53.800 53.800 54.557 -0.757 18788 5789 1 8 . 1 1 110 110 LYS CB C 110 35.300 35.300 36.002 -0.702 18788 5790 1 8 . 1 1 110 110 LYS H H 110 7.890 7.890 8.836 -0.946 18788 5791 1 8 . 1 1 111 111 VAL N N 111 123.100 123.100 122.144 0.956 18788 5792 1 8 . 1 1 111 111 VAL HA H 111 4.630 4.630 4.440 0.190 18788 5793 1 8 . 1 1 111 111 VAL C C 111 176.500 176.500 175.337 1.163 18788 5794 1 8 . 1 1 111 111 VAL CA C 111 63.100 63.100 62.748 0.352 18788 5795 1 8 . 1 1 111 111 VAL CB C 111 30.600 30.600 32.048 -1.448 18788 5796 1 8 . 1 1 111 111 VAL H H 111 9.180 9.180 9.238 -0.058 18788 5797 1 8 . 1 1 112 112 ALA N N 112 131.500 131.500 130.262 1.238 18788 5798 1 8 . 1 1 112 112 ALA HA H 112 4.150 4.150 4.612 -0.462 18788 5799 1 8 . 1 1 112 112 ALA C C 112 173.300 173.300 176.244 -2.944 18788 5800 1 8 . 1 1 112 112 ALA CA C 112 51.300 51.300 50.152 1.148 18788 5801 1 8 . 1 1 112 112 ALA CB C 112 23.900 23.900 21.055 2.845 18788 5802 1 8 . 1 1 112 112 ALA H H 112 8.000 8.000 8.627 -0.627 18788 5803 1 8 . 1 1 114 114 VAL N N 114 123.100 123.100 125.260 -2.160 18788 5804 1 8 . 1 1 114 114 VAL HA H 114 3.550 3.550 3.922 -0.372 18788 5805 1 8 . 1 1 114 114 VAL C C 114 174.600 174.600 175.665 -1.065 18788 5806 1 8 . 1 1 114 114 VAL CA C 114 62.000 62.000 63.075 -1.075 18788 5807 1 8 . 1 1 114 114 VAL CB C 114 30.300 30.300 32.010 -1.710 18788 5808 1 8 . 1 1 114 114 VAL H H 114 7.480 7.480 8.283 -0.803 18788 5809 1 8 . 1 1 115 115 TYR N N 115 130.100 130.100 131.040 -0.940 18788 5810 1 8 . 1 1 115 115 TYR HA H 115 4.940 4.940 4.790 0.150 18788 5811 1 8 . 1 1 115 115 TYR C C 115 175.700 175.700 174.215 1.485 18788 5812 1 8 . 1 1 115 115 TYR CA C 115 54.900 54.900 56.010 -1.110 18788 5813 1 8 . 1 1 115 115 TYR CB C 115 38.200 38.200 39.154 -0.954 18788 5814 1 8 . 1 1 115 115 TYR H H 115 8.970 8.970 8.756 0.214 18788 5815 1 8 . 1 1 116 116 LYS N N 116 125.400 125.400 127.068 -1.668 18788 5816 1 8 . 1 1 116 116 LYS HA H 116 3.940 3.940 4.540 -0.600 18788 5817 1 8 . 1 1 116 116 LYS C C 116 175.100 175.100 175.514 -0.414 18788 5818 1 8 . 1 1 116 116 LYS CA C 116 56.400 56.400 55.905 0.495 18788 5819 1 8 . 1 1 116 116 LYS CB C 116 31.600 31.600 31.870 -0.270 18788 5820 1 8 . 1 1 116 116 LYS H H 116 8.770 8.770 8.290 0.480 18788 5821 1 8 . 1 1 117 117 PRO HA H 117 4.620 4.620 4.725 -0.105 18788 5822 1 8 . 1 1 117 117 PRO C C 117 175.600 175.600 175.916 -0.316 18788 5823 1 8 . 1 1 117 117 PRO CA C 117 64.100 64.100 62.707 1.393 18788 5824 1 8 . 1 1 117 117 PRO CB C 117 32.600 32.600 32.040 0.560 18788 5825 1 8 . 1 1 118 118 ASN N N 118 128.800 128.800 121.180 7.620 18788 5826 1 8 . 1 1 118 118 ASN HA H 118 5.310 5.310 4.949 0.361 18788 5827 1 8 . 1 1 118 118 ASN C C 118 174.500 174.500 173.915 0.585 18788 5828 1 8 . 1 1 118 118 ASN CA C 118 51.600 51.600 53.712 -2.112 18788 5829 1 8 . 1 1 118 118 ASN CB C 118 36.200 36.200 37.846 -1.646 18788 5830 1 8 . 1 1 118 118 ASN H H 118 8.710 8.710 8.058 0.652 18788 5831 1 8 . 1 1 119 119 ASN N N 119 117.600 117.600 117.975 -0.375 18788 5832 1 8 . 1 1 119 119 ASN HA H 119 5.020 5.020 4.963 0.057 18788 5833 1 8 . 1 1 119 119 ASN C C 119 177.500 177.500 175.656 1.844 18788 5834 1 8 . 1 1 119 119 ASN CA C 119 51.900 51.900 53.168 -1.268 18788 5835 1 8 . 1 1 119 119 ASN CB C 119 39.100 39.100 39.804 -0.704 18788 5836 1 8 . 1 1 119 119 ASN H H 119 8.120 8.120 8.245 -0.125 18788 5837 1 8 . 1 1 120 120 THR N N 120 124.400 124.400 118.767 5.633 18788 5838 1 8 . 1 1 120 120 THR HA H 120 3.850 3.850 4.082 -0.232 18788 5839 1 8 . 1 1 120 120 THR C C 120 176.400 176.400 175.117 1.283 18788 5840 1 8 . 1 1 120 120 THR CA C 120 69.100 69.100 66.871 2.229 18788 5841 1 8 . 1 1 120 120 THR CB C 120 66.800 66.800 68.750 -1.950 18788 5842 1 8 . 1 1 120 120 THR H H 120 10.730 10.730 9.457 1.273 18788 5843 1 8 . 1 1 121 121 HIS N N 121 113.400 113.400 118.014 -4.614 18788 5844 1 8 . 1 1 121 121 HIS HA H 121 5.420 5.420 4.724 0.696 18788 5845 1 8 . 1 1 121 121 HIS C C 121 174.800 174.800 175.666 -0.866 18788 5846 1 8 . 1 1 121 121 HIS CA C 121 53.900 53.900 55.578 -1.677 18788 5847 1 8 . 1 1 121 121 HIS CB C 121 29.400 29.400 29.399 0.001 18788 5848 1 8 . 1 1 121 121 HIS H H 121 6.860 6.860 7.758 -0.898 18788 5849 1 8 . 1 1 122 122 GLU N N 122 120.200 120.200 120.164 0.036 18788 5850 1 8 . 1 1 122 122 GLU HA H 122 3.700 3.700 3.965 -0.265 18788 5851 1 8 . 1 1 122 122 GLU C C 122 177.200 177.200 178.005 -0.805 18788 5852 1 8 . 1 1 122 122 GLU CA C 122 61.200 61.200 60.004 1.196 18788 5853 1 8 . 1 1 122 122 GLU CB C 122 29.900 29.900 28.835 1.065 18788 5854 1 8 . 1 1 122 122 GLU H H 122 7.540 7.540 7.670 -0.130 18788 5855 1 8 . 1 1 123 123 GLN N N 123 117.200 117.200 117.738 -0.538 18788 5856 1 8 . 1 1 123 123 GLN HA H 123 3.970 3.970 4.149 -0.179 18788 5857 1 8 . 1 1 123 123 GLN C C 123 178.600 178.600 178.104 0.496 18788 5858 1 8 . 1 1 123 123 GLN CA C 123 59.500 59.500 58.143 1.357 18788 5859 1 8 . 1 1 123 123 GLN CB C 123 27.100 27.100 28.029 -0.929 18788 5860 1 8 . 1 1 123 123 GLN H H 123 8.920 8.920 8.384 0.536 18788 5861 1 8 . 1 1 124 124 LEU N N 124 122.000 122.000 122.168 -0.168 18788 5862 1 8 . 1 1 124 124 LEU HA H 124 4.090 4.090 4.105 -0.015 18788 5863 1 8 . 1 1 124 124 LEU C C 124 179.100 179.100 178.281 0.819 18788 5864 1 8 . 1 1 124 124 LEU CA C 124 58.600 58.600 57.502 1.098 18788 5865 1 8 . 1 1 124 124 LEU CB C 124 42.000 42.000 41.193 0.807 18788 5866 1 8 . 1 1 124 124 LEU H H 124 7.940 7.940 7.746 0.194 18788 5867 1 8 . 1 1 125 125 LEU N N 125 118.900 118.900 118.824 0.076 18788 5868 1 8 . 1 1 125 125 LEU HA H 125 4.000 4.000 3.960 0.040 18788 5869 1 8 . 1 1 125 125 LEU C C 125 179.200 179.200 179.141 0.059 18788 5870 1 8 . 1 1 125 125 LEU CA C 125 58.900 58.900 58.152 0.748 18788 5871 1 8 . 1 1 125 125 LEU CB C 125 41.100 41.100 41.397 -0.297 18788 5872 1 8 . 1 1 125 125 LEU H H 125 8.030 8.030 8.384 -0.354 18788 5873 1 8 . 1 1 126 126 ARG N N 126 118.800 118.800 119.265 -0.465 18788 5874 1 8 . 1 1 126 126 ARG HA H 126 4.030 4.030 3.918 0.112 18788 5875 1 8 . 1 1 126 126 ARG C C 126 179.700 179.700 178.735 0.965 18788 5876 1 8 . 1 1 126 126 ARG CA C 126 60.600 60.600 60.090 0.510 18788 5877 1 8 . 1 1 126 126 ARG CB C 126 29.100 29.100 30.032 -0.932 18788 5878 1 8 . 1 1 126 126 ARG H H 126 9.010 9.010 8.405 0.605 18788 5879 1 8 . 1 1 127 127 LYS N N 127 122.700 122.700 118.964 3.736 18788 5880 1 8 . 1 1 127 127 LYS HA H 127 4.150 4.150 4.063 0.087 18788 5881 1 8 . 1 1 127 127 LYS C C 127 179.800 179.800 179.073 0.727 18788 5882 1 8 . 1 1 127 127 LYS CA C 127 60.100 60.100 59.278 0.822 18788 5883 1 8 . 1 1 127 127 LYS CB C 127 31.700 31.700 31.842 -0.142 18788 5884 1 8 . 1 1 127 127 LYS H H 127 8.160 8.160 8.407 -0.247 18788 5885 1 8 . 1 1 128 128 SER N N 128 118.300 118.300 117.019 1.281 18788 5886 1 8 . 1 1 128 128 SER HA H 128 4.320 4.320 4.195 0.125 18788 5887 1 8 . 1 1 128 128 SER C C 128 175.500 175.500 176.074 -0.574 18788 5888 1 8 . 1 1 128 128 SER CA C 128 63.600 63.600 62.663 0.937 18788 5889 1 8 . 1 1 128 128 SER CB C 128 62.600 62.600 63.148 -0.548 18788 5890 1 8 . 1 1 128 128 SER H H 128 7.830 7.830 7.632 0.198 18788 5891 1 8 . 1 1 129 129 GLU N N 129 125.200 125.200 123.480 1.720 18788 5892 1 8 . 1 1 129 129 GLU HA H 129 3.900 3.900 4.006 -0.106 18788 5893 1 8 . 1 1 129 129 GLU C C 129 177.400 177.400 178.274 -0.874 18788 5894 1 8 . 1 1 129 129 GLU CA C 129 59.200 59.200 59.291 -0.091 18788 5895 1 8 . 1 1 129 129 GLU CB C 129 30.900 30.900 29.817 1.083 18788 5896 1 8 . 1 1 129 129 GLU H H 129 8.580 8.580 8.381 0.199 18788 5897 1 8 . 1 1 130 130 ALA N N 130 119.500 119.500 120.896 -1.396 18788 5898 1 8 . 1 1 130 130 ALA HA H 130 3.850 3.850 3.817 0.033 18788 5899 1 8 . 1 1 130 130 ALA C C 130 181.000 181.000 179.529 1.471 18788 5900 1 8 . 1 1 130 130 ALA CA C 130 55.000 55.000 55.108 -0.108 18788 5901 1 8 . 1 1 130 130 ALA CB C 130 17.600 17.600 17.948 -0.348 18788 5902 1 8 . 1 1 130 130 ALA H H 130 7.950 7.950 8.253 -0.303 18788 5903 1 8 . 1 1 131 131 GLN N N 131 118.600 118.600 118.978 -0.378 18788 5904 1 8 . 1 1 131 131 GLN HA H 131 3.990 3.990 4.002 -0.012 18788 5905 1 8 . 1 1 131 131 GLN C C 131 177.200 177.200 178.065 -0.865 18788 5906 1 8 . 1 1 131 131 GLN CA C 131 58.800 58.800 58.616 0.184 18788 5907 1 8 . 1 1 131 131 GLN CB C 131 28.000 28.000 28.631 -0.631 18788 5908 1 8 . 1 1 131 131 GLN H H 131 7.520 7.520 7.576 -0.056 18788 5909 1 8 . 1 1 132 132 ALA N N 132 123.100 123.100 122.281 0.819 18788 5910 1 8 . 1 1 132 132 ALA HA H 132 3.930 3.930 4.038 -0.108 18788 5911 1 8 . 1 1 132 132 ALA C C 132 179.500 179.500 179.325 0.175 18788 5912 1 8 . 1 1 132 132 ALA CA C 132 55.600 55.600 55.233 0.367 18788 5913 1 8 . 1 1 132 132 ALA CB C 132 18.400 18.400 18.493 -0.093 18788 5914 1 8 . 1 1 132 132 ALA H H 132 8.000 8.000 8.082 -0.082 18788 5915 1 8 . 1 1 133 133 LYS N N 133 117.200 117.200 117.666 -0.466 18788 5916 1 8 . 1 1 133 133 LYS HA H 133 3.450 3.450 3.562 -0.112 18788 5917 1 8 . 1 1 133 133 LYS C C 133 180.800 180.800 179.015 1.785 18788 5918 1 8 . 1 1 133 133 LYS CA C 133 59.500 59.500 59.093 0.407 18788 5919 1 8 . 1 1 133 133 LYS CB C 133 32.200 32.200 32.127 0.074 18788 5920 1 8 . 1 1 133 133 LYS H H 133 8.170 8.170 7.884 0.286 18788 5921 1 8 . 1 1 134 134 LYS N N 134 122.600 122.600 117.950 4.650 18788 5922 1 8 . 1 1 134 134 LYS HA H 134 3.960 3.960 4.098 -0.138 18788 5923 1 8 . 1 1 134 134 LYS C C 134 178.700 178.700 178.564 0.136 18788 5924 1 8 . 1 1 134 134 LYS CA C 134 59.200 59.200 58.530 0.670 18788 5925 1 8 . 1 1 134 134 LYS CB C 134 32.200 32.200 32.238 -0.038 18788 5926 1 8 . 1 1 134 134 LYS H H 134 7.830 7.830 7.773 0.057 18788 5927 1 8 . 1 1 135 135 GLU N N 135 116.500 116.500 117.476 -0.976 18788 5928 1 8 . 1 1 135 135 GLU HA H 135 4.030 4.030 4.377 -0.347 18788 5929 1 8 . 1 1 135 135 GLU C C 135 174.500 174.500 175.077 -0.577 18788 5930 1 8 . 1 1 135 135 GLU CA C 135 56.700 56.700 56.192 0.508 18788 5931 1 8 . 1 1 135 135 GLU CB C 135 29.700 29.700 29.779 -0.079 18788 5932 1 8 . 1 1 135 135 GLU H H 135 7.680 7.680 7.790 -0.110 18788 5933 1 8 . 1 1 136 136 LYS N N 136 116.800 116.800 116.302 0.498 18788 5934 1 8 . 1 1 136 136 LYS HA H 136 3.540 3.540 4.010 -0.470 18788 5935 1 8 . 1 1 136 136 LYS C C 136 175.000 175.000 176.125 -1.125 18788 5936 1 8 . 1 1 136 136 LYS CA C 136 56.800 56.800 56.803 -0.004 18788 5937 1 8 . 1 1 136 136 LYS CB C 136 28.800 28.800 29.661 -0.861 18788 5938 1 8 . 1 1 136 136 LYS H H 136 7.820 7.820 7.364 0.456 18788 5939 1 8 . 1 1 137 137 LEU N N 137 117.000 117.000 117.383 -0.383 18788 5940 1 8 . 1 1 137 137 LEU HA H 137 4.190 4.190 4.210 -0.020 18788 5941 1 8 . 1 1 137 137 LEU C C 137 178.500 178.500 178.376 0.124 18788 5942 1 8 . 1 1 137 137 LEU CA C 137 55.000 55.000 55.026 -0.026 18788 5943 1 8 . 1 1 137 137 LEU CB C 137 44.000 44.000 42.563 1.437 18788 5944 1 8 . 1 1 137 137 LEU H H 137 7.650 7.650 8.107 -0.457 18788 5945 1 8 . 1 1 138 138 ASN N N 138 118.700 118.700 118.717 -0.017 18788 5946 1 8 . 1 1 138 138 ASN HA H 138 3.730 3.730 4.355 -0.625 18788 5947 1 8 . 1 1 138 138 ASN C C 138 176.300 176.300 177.610 -1.310 18788 5948 1 8 . 1 1 138 138 ASN CA C 138 56.600 56.600 56.211 0.389 18788 5949 1 8 . 1 1 138 138 ASN CB C 138 38.700 38.700 38.282 0.418 18788 5950 1 8 . 1 1 138 138 ASN H H 138 9.050 9.050 8.942 0.108 18788 5951 1 8 . 1 1 139 139 ILE N N 139 123.800 123.800 113.329 10.471 18788 5952 1 8 . 1 1 139 139 ILE HA H 139 3.380 3.380 3.951 -0.571 18788 5953 1 8 . 1 1 139 139 ILE C C 139 176.700 176.700 176.032 0.668 18788 5954 1 8 . 1 1 139 139 ILE CA C 139 65.700 65.700 62.687 3.013 18788 5955 1 8 . 1 1 139 139 ILE CB C 139 37.000 37.000 37.307 -0.307 18788 5956 1 8 . 1 1 139 139 ILE H H 139 8.350 8.350 7.517 0.833 18788 5957 1 8 . 1 1 140 140 TRP N N 140 119.700 119.700 119.134 0.566 18788 5958 1 8 . 1 1 140 140 TRP HA H 140 4.940 4.940 4.657 0.283 18788 5959 1 8 . 1 1 140 140 TRP C C 140 176.200 176.200 176.188 0.012 18788 5960 1 8 . 1 1 140 140 TRP CA C 140 54.900 54.900 56.361 -1.460 18788 5961 1 8 . 1 1 140 140 TRP CB C 140 30.000 30.000 30.408 -0.408 18788 5962 1 8 . 1 1 140 140 TRP H H 140 7.850 7.850 7.649 0.201 18788 5963 1 8 . 1 1 141 141 SER N N 141 116.100 116.100 115.962 0.138 18788 5964 1 8 . 1 1 141 141 SER HA H 141 4.220 4.220 4.521 -0.301 18788 5965 1 8 . 1 1 141 141 SER C C 141 175.200 175.200 174.939 0.261 18788 5966 1 8 . 1 1 141 141 SER CA C 141 59.800 59.800 58.588 1.212 18788 5967 1 8 . 1 1 141 141 SER CB C 141 64.600 64.600 63.446 1.155 18788 5968 1 8 . 1 1 141 141 SER H H 141 8.080 8.080 7.866 0.214 18788 5969 1 8 . 1 1 142 142 GLU N N 142 121.200 121.200 125.889 -4.689 18788 5970 1 8 . 1 1 142 142 GLU HA H 142 4.430 4.430 4.341 0.089 18788 5971 1 8 . 1 1 142 142 GLU C C 142 176.200 176.200 176.386 -0.186 18788 5972 1 8 . 1 1 142 142 GLU CA C 142 56.100 56.100 57.233 -1.133 18788 5973 1 8 . 1 1 142 142 GLU CB C 142 30.500 30.500 30.139 0.361 18788 5974 1 8 . 1 1 142 142 GLU H H 142 8.020 8.020 8.759 -0.739 18788 5975 1 8 . 1 1 143 143 ASP N N 143 121.400 121.400 119.621 1.779 18788 5976 1 8 . 1 1 143 143 ASP HA H 143 4.620 4.620 4.819 -0.199 18788 5977 1 8 . 1 1 143 143 ASP C C 143 176.100 176.100 175.776 0.324 18788 5978 1 8 . 1 1 143 143 ASP CA C 143 54.800 54.800 53.496 1.304 18788 5979 1 8 . 1 1 143 143 ASP CB C 143 41.200 41.200 40.779 0.421 18788 5980 1 8 . 1 1 143 143 ASP H H 143 8.370 8.370 7.939 0.431 18788 5981 1 8 . 1 1 144 144 ASN N N 144 119.300 119.300 122.367 -3.067 18788 5982 1 8 . 1 1 144 144 ASN HA H 144 4.760 4.760 4.695 0.065 18788 5983 1 8 . 1 1 144 144 ASN C C 144 175.200 175.200 175.106 0.094 18788 5984 1 8 . 1 1 144 144 ASN CA C 144 53.200 53.200 53.350 -0.150 18788 5985 1 8 . 1 1 144 144 ASN CB C 144 39.000 39.000 39.345 -0.345 18788 5986 1 8 . 1 1 144 144 ASN H H 144 8.400 8.400 8.447 -0.047 18788 5987 1 8 . 1 1 145 145 ALA N N 145 124.300 124.300 123.641 0.659 18788 5988 1 8 . 1 1 145 145 ALA HA H 145 4.310 4.310 4.135 0.175 18788 5989 1 8 . 1 1 145 145 ALA C C 145 177.700 177.700 176.875 0.825 18788 5990 1 8 . 1 1 145 145 ALA CA C 145 53.300 53.300 52.476 0.824 18788 5991 1 8 . 1 1 145 145 ALA CB C 145 19.200 19.200 18.299 0.901 18788 5992 1 8 . 1 1 145 145 ALA H H 145 8.240 8.240 8.124 0.116 18788 5993 1 8 . 1 1 146 146 ASP N N 146 119.200 119.200 120.540 -1.340 18788 5994 1 8 . 1 1 146 146 ASP HA H 146 4.670 4.670 4.635 0.035 18788 5995 1 8 . 1 1 146 146 ASP C C 146 176.400 176.400 176.047 0.353 18788 5996 1 8 . 1 1 146 146 ASP CA C 146 54.400 54.400 54.240 0.160 18788 5997 1 8 . 1 1 146 146 ASP CB C 146 41.200 41.200 40.214 0.987 18788 5998 1 8 . 1 1 146 146 ASP H H 146 8.340 8.340 8.597 -0.257 18788 5999 1 8 . 1 1 147 147 SER N N 147 116.100 116.100 117.372 -1.272 18788 6000 1 8 . 1 1 147 147 SER HA H 147 4.450 4.450 4.367 0.083 18788 6001 1 8 . 1 1 147 147 SER C C 147 175.200 175.200 175.721 -0.521 18788 6002 1 8 . 1 1 147 147 SER CA C 147 58.900 58.900 58.754 0.146 18788 6003 1 8 . 1 1 147 147 SER CB C 147 64.100 64.100 63.804 0.296 18788 6004 1 8 . 1 1 147 147 SER H H 147 8.220 8.220 7.940 0.280 18788 6005 1 8 . 1 1 148 148 GLY N N 148 111.200 111.200 109.461 1.739 18788 6006 1 8 . 1 1 148 148 GLY C C 148 173.400 173.400 173.538 -0.138 18788 6007 1 8 . 1 1 148 148 GLY CA C 148 45.500 45.500 44.744 0.756 18788 6008 1 8 . 1 1 148 148 GLY H H 148 8.470 8.470 8.678 -0.208 18788 6009 1 9 . 1 1 2 2 THR N N 2 120.300 120.300 117.803 2.497 18788 6010 1 9 . 1 1 2 2 THR HA H 2 4.430 4.430 4.377 0.053 18788 6011 1 9 . 1 1 2 2 THR C C 2 174.400 174.400 174.590 -0.190 18788 6012 1 9 . 1 1 2 2 THR CA C 2 62.100 62.100 62.221 -0.121 18788 6013 1 9 . 1 1 2 2 THR CB C 2 69.900 69.900 68.948 0.952 18788 6014 1 9 . 1 1 2 2 THR H H 2 8.320 8.320 8.364 -0.044 18788 6015 1 9 . 1 1 3 3 SER N N 3 118.700 118.700 122.432 -3.732 18788 6016 1 9 . 1 1 3 3 SER HA H 3 5.000 5.000 4.611 0.389 18788 6017 1 9 . 1 1 3 3 SER CA C 3 58.400 58.400 57.669 0.731 18788 6018 1 9 . 1 1 3 3 SER CB C 3 68.800 68.800 63.969 4.830 18788 6019 1 9 . 1 1 3 3 SER H H 3 8.520 8.520 8.485 0.035 18788 6020 1 9 . 1 1 4 4 THR HA H 4 4.380 4.380 4.239 0.141 18788 6021 1 9 . 1 1 4 4 THR C C 4 174.400 174.400 174.358 0.042 18788 6022 1 9 . 1 1 4 4 THR CA C 4 62.000 62.000 62.559 -0.559 18788 6023 1 9 . 1 1 4 4 THR CB C 4 69.700 69.700 69.002 0.698 18788 6024 1 9 . 1 1 5 5 LYS N N 5 124.000 124.000 127.543 -3.543 18788 6025 1 9 . 1 1 5 5 LYS HA H 5 4.370 4.370 4.315 0.055 18788 6026 1 9 . 1 1 5 5 LYS C C 5 176.100 176.100 175.861 0.239 18788 6027 1 9 . 1 1 5 5 LYS CA C 5 56.500 56.500 56.468 0.032 18788 6028 1 9 . 1 1 5 5 LYS CB C 5 32.900 32.900 32.356 0.544 18788 6029 1 9 . 1 1 5 5 LYS H H 5 8.320 8.320 8.552 -0.232 18788 6030 1 9 . 1 1 6 6 LYS N N 6 122.500 122.500 123.919 -1.419 18788 6031 1 9 . 1 1 6 6 LYS HA H 6 4.400 4.400 4.486 -0.086 18788 6032 1 9 . 1 1 6 6 LYS C C 6 176.200 176.200 175.186 1.014 18788 6033 1 9 . 1 1 6 6 LYS CA C 6 55.900 55.900 55.797 0.103 18788 6034 1 9 . 1 1 6 6 LYS CB C 6 33.600 33.600 33.742 -0.142 18788 6035 1 9 . 1 1 6 6 LYS H H 6 8.220 8.220 8.111 0.109 18788 6036 1 9 . 1 1 7 7 LEU N N 7 122.200 122.200 120.156 2.044 18788 6037 1 9 . 1 1 7 7 LEU HA H 7 4.550 4.550 4.986 -0.436 18788 6038 1 9 . 1 1 7 7 LEU C C 7 176.600 176.600 175.693 0.907 18788 6039 1 9 . 1 1 7 7 LEU CA C 7 54.800 54.800 53.335 1.465 18788 6040 1 9 . 1 1 7 7 LEU CB C 7 41.500 41.500 45.142 -3.643 18788 6041 1 9 . 1 1 7 7 LEU H H 7 8.340 8.340 8.080 0.260 18788 6042 1 9 . 1 1 8 8 HIS N N 8 119.200 119.200 114.287 4.913 18788 6043 1 9 . 1 1 8 8 HIS HA H 8 4.990 4.990 5.043 -0.053 18788 6044 1 9 . 1 1 8 8 HIS C C 8 173.700 173.700 174.296 -0.596 18788 6045 1 9 . 1 1 8 8 HIS CA C 8 55.300 55.300 55.049 0.251 18788 6046 1 9 . 1 1 8 8 HIS CB C 8 32.200 32.200 32.893 -0.693 18788 6047 1 9 . 1 1 8 8 HIS H H 8 8.860 8.860 8.408 0.452 18788 6048 1 9 . 1 1 9 9 LYS N N 9 124.000 124.000 122.740 1.260 18788 6049 1 9 . 1 1 9 9 LYS HA H 9 4.840 4.840 4.569 0.271 18788 6050 1 9 . 1 1 9 9 LYS C C 9 176.400 176.400 176.221 0.179 18788 6051 1 9 . 1 1 9 9 LYS CA C 9 55.700 55.700 55.710 -0.010 18788 6052 1 9 . 1 1 9 9 LYS CB C 9 34.700 34.700 33.568 1.132 18788 6053 1 9 . 1 1 9 9 LYS H H 9 8.480 8.480 8.616 -0.136 18788 6054 1 9 . 1 1 10 10 GLU N N 10 123.100 123.100 120.433 2.667 18788 6055 1 9 . 1 1 10 10 GLU HA H 10 5.060 5.060 4.946 0.114 18788 6056 1 9 . 1 1 10 10 GLU C C 10 173.200 173.200 174.175 -0.975 18788 6057 1 9 . 1 1 10 10 GLU CA C 10 53.400 53.400 53.441 -0.041 18788 6058 1 9 . 1 1 10 10 GLU CB C 10 33.000 33.000 32.980 0.020 18788 6059 1 9 . 1 1 10 10 GLU H H 10 9.390 9.390 8.534 0.856 18788 6060 1 9 . 1 1 11 11 PRO HA H 11 4.900 4.900 4.793 0.107 18788 6061 1 9 . 1 1 11 11 PRO C C 11 175.400 175.400 175.613 -0.213 18788 6062 1 9 . 1 1 11 11 PRO CA C 11 63.100 63.100 63.025 0.075 18788 6063 1 9 . 1 1 11 11 PRO CB C 11 33.000 33.000 32.124 0.876 18788 6064 1 9 . 1 1 12 12 ALA N N 12 119.700 119.700 124.658 -4.958 18788 6065 1 9 . 1 1 12 12 ALA HA H 12 4.990 4.990 5.389 -0.399 18788 6066 1 9 . 1 1 12 12 ALA C C 12 175.400 175.400 175.567 -0.167 18788 6067 1 9 . 1 1 12 12 ALA CA C 12 51.600 51.600 50.983 0.617 18788 6068 1 9 . 1 1 12 12 ALA CB C 12 24.600 24.600 23.578 1.022 18788 6069 1 9 . 1 1 12 12 ALA H H 12 8.070 8.070 8.942 -0.872 18788 6070 1 9 . 1 1 13 13 THR N N 13 109.100 109.100 113.932 -4.832 18788 6071 1 9 . 1 1 13 13 THR HA H 13 4.700 4.700 4.636 0.064 18788 6072 1 9 . 1 1 13 13 THR C C 13 174.000 174.000 172.934 1.066 18788 6073 1 9 . 1 1 13 13 THR CA C 13 60.700 60.700 62.071 -1.371 18788 6074 1 9 . 1 1 13 13 THR CB C 13 71.600 71.600 72.550 -0.950 18788 6075 1 9 . 1 1 13 13 THR H H 13 8.090 8.090 8.282 -0.192 18788 6076 1 9 . 1 1 14 14 LEU N N 14 125.200 125.200 126.987 -1.787 18788 6077 1 9 . 1 1 14 14 LEU HA H 14 4.140 4.140 4.273 -0.133 18788 6078 1 9 . 1 1 14 14 LEU C C 14 176.700 176.700 175.895 0.805 18788 6079 1 9 . 1 1 14 14 LEU CA C 14 56.800 56.800 55.657 1.143 18788 6080 1 9 . 1 1 14 14 LEU CB C 14 42.900 42.900 43.191 -0.291 18788 6081 1 9 . 1 1 14 14 LEU H H 14 9.150 9.150 8.837 0.313 18788 6082 1 9 . 1 1 15 15 ILE N N 15 125.200 125.200 124.615 0.585 18788 6083 1 9 . 1 1 15 15 ILE HA H 15 4.220 4.220 4.199 0.021 18788 6084 1 9 . 1 1 15 15 ILE C C 15 175.900 175.900 175.749 0.151 18788 6085 1 9 . 1 1 15 15 ILE CA C 15 64.300 64.300 62.628 1.672 18788 6086 1 9 . 1 1 15 15 ILE CB C 15 38.700 38.700 39.305 -0.605 18788 6087 1 9 . 1 1 15 15 ILE H H 15 8.460 8.460 8.631 -0.171 18788 6088 1 9 . 1 1 16 16 LYS N N 16 114.100 114.100 116.728 -2.628 18788 6089 1 9 . 1 1 16 16 LYS HA H 16 4.460 4.460 4.654 -0.194 18788 6090 1 9 . 1 1 16 16 LYS C C 16 174.000 174.000 174.041 -0.041 18788 6091 1 9 . 1 1 16 16 LYS CA C 16 56.600 56.600 54.545 2.055 18788 6092 1 9 . 1 1 16 16 LYS CB C 16 35.300 35.300 37.042 -1.742 18788 6093 1 9 . 1 1 16 16 LYS H H 16 8.050 8.050 8.176 -0.126 18788 6094 1 9 . 1 1 17 17 ALA N N 17 129.100 129.100 126.084 3.016 18788 6095 1 9 . 1 1 17 17 ALA HA H 17 4.480 4.480 4.803 -0.323 18788 6096 1 9 . 1 1 17 17 ALA C C 17 175.700 175.700 176.776 -1.076 18788 6097 1 9 . 1 1 17 17 ALA CA C 17 52.300 52.300 52.383 -0.083 18788 6098 1 9 . 1 1 17 17 ALA CB C 17 18.200 18.200 19.502 -1.302 18788 6099 1 9 . 1 1 17 17 ALA H H 17 9.470 9.470 8.520 0.950 18788 6100 1 9 . 1 1 18 18 ILE N N 18 123.500 123.500 121.867 1.633 18788 6101 1 9 . 1 1 18 18 ILE HA H 18 4.110 4.110 4.519 -0.409 18788 6102 1 9 . 1 1 18 18 ILE C C 18 175.100 175.100 176.463 -1.363 18788 6103 1 9 . 1 1 18 18 ILE CA C 18 63.200 63.200 61.891 1.309 18788 6104 1 9 . 1 1 18 18 ILE CB C 18 37.800 37.800 38.962 -1.161 18788 6105 1 9 . 1 1 18 18 ILE H H 18 8.070 8.070 8.515 -0.445 18788 6106 1 9 . 1 1 19 19 ASP N N 19 120.500 120.500 116.763 3.737 18788 6107 1 9 . 1 1 19 19 ASP HA H 19 4.730 4.730 4.787 -0.057 18788 6108 1 9 . 1 1 19 19 ASP C C 19 176.800 176.800 177.109 -0.309 18788 6109 1 9 . 1 1 19 19 ASP CA C 19 53.400 53.400 53.265 0.135 18788 6110 1 9 . 1 1 19 19 ASP CB C 19 40.100 40.100 43.814 -3.714 18788 6111 1 9 . 1 1 19 19 ASP H H 19 8.290 8.290 8.148 0.142 18788 6112 1 9 . 1 1 20 20 GLY N N 20 103.500 103.500 107.062 -3.562 18788 6113 1 9 . 1 1 20 20 GLY C C 20 173.300 173.300 175.175 -1.875 18788 6114 1 9 . 1 1 20 20 GLY CA C 20 47.700 47.700 46.642 1.058 18788 6115 1 9 . 1 1 20 20 GLY H H 20 8.460 8.460 8.791 -0.331 18788 6116 1 9 . 1 1 21 21 ASP N N 21 111.200 111.200 120.684 -9.484 18788 6117 1 9 . 1 1 21 21 ASP HA H 21 4.850 4.850 4.640 0.210 18788 6118 1 9 . 1 1 21 21 ASP C C 21 175.300 175.300 175.615 -0.315 18788 6119 1 9 . 1 1 21 21 ASP CA C 21 52.100 52.100 56.085 -3.985 18788 6120 1 9 . 1 1 21 21 ASP CB C 21 40.600 40.600 41.704 -1.104 18788 6121 1 9 . 1 1 21 21 ASP H H 21 7.640 7.640 7.974 -0.334 18788 6122 1 9 . 1 1 22 22 THR N N 22 113.200 113.200 117.060 -3.860 18788 6123 1 9 . 1 1 22 22 THR HA H 22 5.700 5.700 5.402 0.298 18788 6124 1 9 . 1 1 22 22 THR C C 22 174.000 174.000 173.846 0.154 18788 6125 1 9 . 1 1 22 22 THR CA C 22 61.000 61.000 62.545 -1.545 18788 6126 1 9 . 1 1 22 22 THR CB C 22 71.800 71.800 70.524 1.276 18788 6127 1 9 . 1 1 22 22 THR H H 22 7.610 7.610 7.849 -0.239 18788 6128 1 9 . 1 1 23 23 VAL N N 23 118.000 118.000 120.455 -2.455 18788 6129 1 9 . 1 1 23 23 VAL HA H 23 4.620 4.620 4.763 -0.143 18788 6130 1 9 . 1 1 23 23 VAL C C 23 172.100 172.100 173.402 -1.302 18788 6131 1 9 . 1 1 23 23 VAL CA C 23 60.100 60.100 59.933 0.167 18788 6132 1 9 . 1 1 23 23 VAL CB C 23 36.200 36.200 35.362 0.838 18788 6133 1 9 . 1 1 23 23 VAL H H 23 8.910 8.910 9.232 -0.322 18788 6134 1 9 . 1 1 24 24 LYS N N 24 127.000 127.000 122.132 4.868 18788 6135 1 9 . 1 1 24 24 LYS HA H 24 5.440 5.440 5.190 0.250 18788 6136 1 9 . 1 1 24 24 LYS C C 24 175.200 175.200 174.872 0.328 18788 6137 1 9 . 1 1 24 24 LYS CA C 24 55.600 55.600 55.094 0.506 18788 6138 1 9 . 1 1 24 24 LYS CB C 24 34.400 34.400 34.619 -0.219 18788 6139 1 9 . 1 1 24 24 LYS H H 24 9.470 9.470 9.056 0.414 18788 6140 1 9 . 1 1 25 25 LEU N N 25 127.000 127.000 122.773 4.227 18788 6141 1 9 . 1 1 25 25 LEU HA H 25 5.210 5.210 4.986 0.224 18788 6142 1 9 . 1 1 25 25 LEU C C 25 174.500 174.500 174.752 -0.252 18788 6143 1 9 . 1 1 25 25 LEU CA C 25 53.100 53.100 52.985 0.115 18788 6144 1 9 . 1 1 25 25 LEU CB C 25 45.500 45.500 45.205 0.295 18788 6145 1 9 . 1 1 25 25 LEU H H 25 9.380 9.380 9.351 0.029 18788 6146 1 9 . 1 1 26 26 MET N N 26 122.000 122.000 119.974 2.026 18788 6147 1 9 . 1 1 26 26 MET HA H 26 4.880 4.880 4.933 -0.053 18788 6148 1 9 . 1 1 26 26 MET C C 26 175.100 175.100 174.474 0.626 18788 6149 1 9 . 1 1 26 26 MET CA C 26 54.700 54.700 55.098 -0.398 18788 6150 1 9 . 1 1 26 26 MET CB C 26 31.400 31.400 33.367 -1.967 18788 6151 1 9 . 1 1 26 26 MET H H 26 9.530 9.530 9.005 0.525 18788 6152 1 9 . 1 1 27 27 TYR N N 27 129.600 129.600 129.577 0.023 18788 6153 1 9 . 1 1 27 27 TYR HA H 27 5.050 5.050 4.790 0.260 18788 6154 1 9 . 1 1 27 27 TYR C C 27 173.900 173.900 175.354 -1.454 18788 6155 1 9 . 1 1 27 27 TYR CA C 27 57.000 57.000 56.921 0.079 18788 6156 1 9 . 1 1 27 27 TYR CB C 27 41.700 41.700 39.427 2.273 18788 6157 1 9 . 1 1 27 27 TYR H H 27 9.040 9.040 9.415 -0.375 18788 6158 1 9 . 1 1 28 28 LYS N N 28 127.600 127.600 128.775 -1.175 18788 6159 1 9 . 1 1 28 28 LYS HA H 28 3.590 3.590 3.764 -0.174 18788 6160 1 9 . 1 1 28 28 LYS C C 28 176.900 176.900 175.699 1.201 18788 6161 1 9 . 1 1 28 28 LYS CA C 28 57.100 57.100 57.308 -0.208 18788 6162 1 9 . 1 1 28 28 LYS CB C 28 29.700 29.700 30.312 -0.612 18788 6163 1 9 . 1 1 28 28 LYS H H 28 9.310 9.310 8.711 0.599 18788 6164 1 9 . 1 1 29 29 GLY N N 29 102.400 102.400 103.075 -0.675 18788 6165 1 9 . 1 1 29 29 GLY C C 29 173.600 173.600 174.242 -0.642 18788 6166 1 9 . 1 1 29 29 GLY CA C 29 45.600 45.600 45.102 0.498 18788 6167 1 9 . 1 1 29 29 GLY H H 29 8.450 8.450 8.593 -0.143 18788 6168 1 9 . 1 1 30 30 GLN N N 30 119.300 119.300 119.875 -0.575 18788 6169 1 9 . 1 1 30 30 GLN HA H 30 5.030 5.030 4.910 0.119 18788 6170 1 9 . 1 1 30 30 GLN C C 30 173.200 173.200 173.379 -0.179 18788 6171 1 9 . 1 1 30 30 GLN CA C 30 52.200 52.200 52.014 0.186 18788 6172 1 9 . 1 1 30 30 GLN CB C 30 31.200 31.200 28.894 2.306 18788 6173 1 9 . 1 1 30 30 GLN H H 30 7.820 7.820 7.872 -0.052 18788 6174 1 9 . 1 1 31 31 PRO HA H 31 4.880 4.880 4.659 0.221 18788 6175 1 9 . 1 1 31 31 PRO C C 31 177.400 177.400 176.405 0.995 18788 6176 1 9 . 1 1 31 31 PRO CA C 31 62.600 62.600 63.315 -0.715 18788 6177 1 9 . 1 1 31 31 PRO CB C 31 31.900 31.900 32.190 -0.290 18788 6178 1 9 . 1 1 32 32 MET N N 32 125.700 125.700 125.289 0.411 18788 6179 1 9 . 1 1 32 32 MET HA H 32 4.670 4.670 4.828 -0.158 18788 6180 1 9 . 1 1 32 32 MET C C 32 174.600 174.600 173.996 0.604 18788 6181 1 9 . 1 1 32 32 MET CA C 32 55.800 55.800 55.126 0.674 18788 6182 1 9 . 1 1 32 32 MET CB C 32 37.200 37.200 37.078 0.122 18788 6183 1 9 . 1 1 32 32 MET H H 32 9.570 9.570 9.412 0.158 18788 6184 1 9 . 1 1 33 33 THR N N 33 123.600 123.600 121.879 1.721 18788 6185 1 9 . 1 1 33 33 THR HA H 33 4.510 4.510 5.161 -0.651 18788 6186 1 9 . 1 1 33 33 THR C C 33 173.100 173.100 173.842 -0.742 18788 6187 1 9 . 1 1 33 33 THR CA C 33 64.300 64.300 62.649 1.651 18788 6188 1 9 . 1 1 33 33 THR CB C 33 68.800 68.800 69.465 -0.665 18788 6189 1 9 . 1 1 33 33 THR H H 33 8.990 8.990 8.760 0.230 18788 6190 1 9 . 1 1 34 34 PHE N N 34 126.100 126.100 124.761 1.339 18788 6191 1 9 . 1 1 34 34 PHE HA H 34 4.890 4.890 5.383 -0.493 18788 6192 1 9 . 1 1 34 34 PHE C C 34 173.400 173.400 174.029 -0.629 18788 6193 1 9 . 1 1 34 34 PHE CA C 34 57.300 57.300 56.804 0.496 18788 6194 1 9 . 1 1 34 34 PHE CB C 34 41.900 41.900 43.609 -1.710 18788 6195 1 9 . 1 1 34 34 PHE H H 34 9.610 9.610 9.567 0.043 18788 6196 1 9 . 1 1 35 35 ARG N N 35 124.200 124.200 120.360 3.840 18788 6197 1 9 . 1 1 35 35 ARG HA H 35 5.080 5.080 5.076 0.004 18788 6198 1 9 . 1 1 35 35 ARG C C 35 174.600 174.600 174.397 0.203 18788 6199 1 9 . 1 1 35 35 ARG CA C 35 52.100 52.100 54.472 -2.372 18788 6200 1 9 . 1 1 35 35 ARG CB C 35 33.600 33.600 34.678 -1.077 18788 6201 1 9 . 1 1 35 35 ARG H H 35 9.640 9.640 9.225 0.415 18788 6202 1 9 . 1 1 38 38 LEU HA H 38 4.330 4.330 4.306 0.024 18788 6203 1 9 . 1 1 38 38 LEU C C 38 175.200 175.200 176.946 -1.746 18788 6204 1 9 . 1 1 38 38 LEU CA C 38 56.600 56.600 55.771 0.829 18788 6205 1 9 . 1 1 38 38 LEU CB C 38 40.100 40.100 42.688 -2.588 18788 6206 1 9 . 1 1 39 39 VAL N N 39 104.500 104.500 111.397 -6.897 18788 6207 1 9 . 1 1 39 39 VAL HA H 39 5.580 5.580 4.891 0.689 18788 6208 1 9 . 1 1 39 39 VAL C C 39 175.600 175.600 174.523 1.077 18788 6209 1 9 . 1 1 39 39 VAL CA C 39 57.800 57.800 59.251 -1.450 18788 6210 1 9 . 1 1 39 39 VAL CB C 39 36.400 36.400 34.556 1.844 18788 6211 1 9 . 1 1 39 39 VAL H H 39 6.920 6.920 7.380 -0.460 18788 6212 1 9 . 1 1 40 40 ASP N N 40 121.500 121.500 125.567 -4.067 18788 6213 1 9 . 1 1 40 40 ASP HA H 40 5.260 5.260 5.004 0.256 18788 6214 1 9 . 1 1 40 40 ASP C C 40 174.600 174.600 175.532 -0.932 18788 6215 1 9 . 1 1 40 40 ASP CA C 40 54.100 54.100 52.769 1.331 18788 6216 1 9 . 1 1 40 40 ASP CB C 40 44.100 44.100 42.968 1.132 18788 6217 1 9 . 1 1 40 40 ASP H H 40 8.880 8.880 9.231 -0.351 18788 6218 1 9 . 1 1 41 41 THR N N 41 118.700 118.700 117.505 1.195 18788 6219 1 9 . 1 1 41 41 THR HA H 41 5.020 5.020 4.819 0.201 18788 6220 1 9 . 1 1 41 41 THR CA C 41 58.300 58.300 58.420 -0.120 18788 6221 1 9 . 1 1 41 41 THR CB C 41 68.900 68.900 69.239 -0.339 18788 6222 1 9 . 1 1 41 41 THR H H 41 8.520 8.520 8.149 0.371 18788 6223 1 9 . 1 1 42 42 PRO HA H 42 4.440 4.440 4.553 -0.113 18788 6224 1 9 . 1 1 42 42 PRO CA C 42 62.200 62.200 62.828 -0.628 18788 6225 1 9 . 1 1 42 42 PRO CB C 42 32.300 32.300 30.829 1.471 18788 6226 1 9 . 1 1 50 50 GLY C C 50 179.800 179.800 174.144 5.656 18788 6227 1 9 . 1 1 51 51 VAL N N 51 119.200 119.200 119.649 -0.449 18788 6228 1 9 . 1 1 51 51 VAL HA H 51 4.160 4.160 4.258 -0.098 18788 6229 1 9 . 1 1 51 51 VAL C C 51 178.600 178.600 176.067 2.533 18788 6230 1 9 . 1 1 51 51 VAL CA C 51 63.500 63.500 60.047 3.453 18788 6231 1 9 . 1 1 51 51 VAL H H 51 7.820 7.820 7.549 0.271 18788 6232 1 9 . 1 1 54 54 TYR C C 54 176.300 176.300 176.550 -0.250 18788 6233 1 9 . 1 1 55 55 GLY N N 55 108.900 108.900 107.817 1.083 18788 6234 1 9 . 1 1 55 55 GLY C C 55 174.300 174.300 172.861 1.439 18788 6235 1 9 . 1 1 55 55 GLY CA C 55 48.400 48.400 44.719 3.681 18788 6236 1 9 . 1 1 55 55 GLY H H 55 8.810 8.810 7.902 0.908 18788 6237 1 9 . 1 1 57 57 GLU HA H 57 4.010 4.010 4.249 -0.239 18788 6238 1 9 . 1 1 57 57 GLU C C 57 179.500 179.500 176.456 3.044 18788 6239 1 9 . 1 1 57 57 GLU CA C 57 61.700 61.700 55.800 5.900 18788 6240 1 9 . 1 1 58 58 ALA N N 58 125.000 125.000 125.850 -0.850 18788 6241 1 9 . 1 1 58 58 ALA HA H 58 4.170 4.170 4.048 0.122 18788 6242 1 9 . 1 1 58 58 ALA C C 58 178.700 178.700 179.007 -0.307 18788 6243 1 9 . 1 1 58 58 ALA CA C 58 55.800 55.800 56.056 -0.256 18788 6244 1 9 . 1 1 58 58 ALA CB C 58 18.200 18.200 18.657 -0.457 18788 6245 1 9 . 1 1 58 58 ALA H H 58 8.940 8.940 8.288 0.652 18788 6246 1 9 . 1 1 59 59 SER N N 59 111.900 111.900 114.755 -2.855 18788 6247 1 9 . 1 1 59 59 SER HA H 59 3.740 3.740 4.400 -0.660 18788 6248 1 9 . 1 1 59 59 SER C C 59 177.100 177.100 176.477 0.623 18788 6249 1 9 . 1 1 59 59 SER CA C 59 62.000 62.000 60.808 1.192 18788 6250 1 9 . 1 1 59 59 SER CB C 59 62.900 62.900 62.509 0.391 18788 6251 1 9 . 1 1 59 59 SER H H 59 8.340 8.340 8.521 -0.181 18788 6252 1 9 . 1 1 60 60 ALA N N 60 122.900 122.900 123.529 -0.629 18788 6253 1 9 . 1 1 60 60 ALA HA H 60 4.070 4.070 4.267 -0.197 18788 6254 1 9 . 1 1 60 60 ALA C C 60 179.100 179.100 179.581 -0.481 18788 6255 1 9 . 1 1 60 60 ALA CA C 60 55.100 55.100 54.614 0.486 18788 6256 1 9 . 1 1 60 60 ALA CB C 60 18.200 18.200 17.876 0.324 18788 6257 1 9 . 1 1 60 60 ALA H H 60 8.440 8.440 8.139 0.301 18788 6258 1 9 . 1 1 61 61 PHE N N 61 121.700 121.700 119.732 1.968 18788 6259 1 9 . 1 1 61 61 PHE HA H 61 4.050 4.050 4.212 -0.162 18788 6260 1 9 . 1 1 61 61 PHE C C 61 178.100 178.100 177.350 0.750 18788 6261 1 9 . 1 1 61 61 PHE CA C 61 61.800 61.800 61.107 0.693 18788 6262 1 9 . 1 1 61 61 PHE CB C 61 39.800 39.800 39.177 0.623 18788 6263 1 9 . 1 1 61 61 PHE H H 61 8.190 8.190 8.800 -0.610 18788 6264 1 9 . 1 1 62 62 THR N N 62 120.200 120.200 115.793 4.407 18788 6265 1 9 . 1 1 62 62 THR HA H 62 3.560 3.560 3.757 -0.197 18788 6266 1 9 . 1 1 62 62 THR C C 62 175.300 175.300 176.462 -1.162 18788 6267 1 9 . 1 1 62 62 THR CA C 62 67.600 67.600 66.845 0.755 18788 6268 1 9 . 1 1 62 62 THR CB C 62 68.400 68.400 68.389 0.011 18788 6269 1 9 . 1 1 62 62 THR H H 62 8.540 8.540 8.401 0.139 18788 6270 1 9 . 1 1 63 63 LYS N N 63 120.000 120.000 121.886 -1.886 18788 6271 1 9 . 1 1 63 63 LYS HA H 63 3.560 3.560 3.849 -0.289 18788 6272 1 9 . 1 1 63 63 LYS C C 63 176.800 176.800 178.668 -1.868 18788 6273 1 9 . 1 1 63 63 LYS CA C 63 60.400 60.400 59.876 0.524 18788 6274 1 9 . 1 1 63 63 LYS CB C 63 33.300 33.300 32.425 0.875 18788 6275 1 9 . 1 1 63 63 LYS H H 63 7.910 7.910 7.932 -0.022 18788 6276 1 9 . 1 1 64 64 LYS N N 64 117.200 117.200 117.674 -0.474 18788 6277 1 9 . 1 1 64 64 LYS HA H 64 3.940 3.940 4.013 -0.073 18788 6278 1 9 . 1 1 64 64 LYS C C 64 178.700 178.700 179.306 -0.606 18788 6279 1 9 . 1 1 64 64 LYS CA C 64 59.200 59.200 59.392 -0.191 18788 6280 1 9 . 1 1 64 64 LYS CB C 64 31.900 31.900 32.519 -0.619 18788 6281 1 9 . 1 1 64 64 LYS H H 64 8.000 8.000 8.113 -0.113 18788 6282 1 9 . 1 1 65 65 MET N N 65 116.200 116.200 117.447 -1.247 18788 6283 1 9 . 1 1 65 65 MET HA H 65 3.890 3.890 4.216 -0.326 18788 6284 1 9 . 1 1 65 65 MET C C 65 179.200 179.200 178.397 0.803 18788 6285 1 9 . 1 1 65 65 MET CA C 65 59.800 59.800 58.643 1.157 18788 6286 1 9 . 1 1 65 65 MET CB C 65 32.200 32.200 32.616 -0.416 18788 6287 1 9 . 1 1 65 65 MET H H 65 7.680 7.680 7.631 0.049 18788 6288 1 9 . 1 1 66 66 VAL N N 66 107.700 107.700 115.434 -7.734 18788 6289 1 9 . 1 1 66 66 VAL HA H 66 4.150 4.150 3.870 0.280 18788 6290 1 9 . 1 1 66 66 VAL C C 66 177.500 177.500 177.620 -0.120 18788 6291 1 9 . 1 1 66 66 VAL CA C 66 64.300 64.300 64.989 -0.689 18788 6292 1 9 . 1 1 66 66 VAL CB C 66 31.100 31.100 31.140 -0.040 18788 6293 1 9 . 1 1 66 66 VAL H H 66 8.220 8.220 7.866 0.354 18788 6294 1 9 . 1 1 67 67 GLU N N 67 121.000 121.000 119.112 1.888 18788 6295 1 9 . 1 1 67 67 GLU HA H 67 3.960 3.960 4.085 -0.125 18788 6296 1 9 . 1 1 67 67 GLU C C 67 178.000 178.000 177.825 0.175 18788 6297 1 9 . 1 1 67 67 GLU CA C 67 59.200 59.200 58.781 0.419 18788 6298 1 9 . 1 1 67 67 GLU CB C 67 29.100 29.100 29.720 -0.620 18788 6299 1 9 . 1 1 67 67 GLU H H 67 8.750 8.750 8.177 0.573 18788 6300 1 9 . 1 1 68 68 ASN N N 68 113.400 113.400 115.411 -2.011 18788 6301 1 9 . 1 1 68 68 ASN HA H 68 4.660 4.660 4.653 0.007 18788 6302 1 9 . 1 1 68 68 ASN C C 68 174.600 174.600 174.946 -0.346 18788 6303 1 9 . 1 1 68 68 ASN CA C 68 53.400 53.400 53.996 -0.596 18788 6304 1 9 . 1 1 68 68 ASN CB C 68 38.900 38.900 39.206 -0.306 18788 6305 1 9 . 1 1 68 68 ASN H H 68 7.400 7.400 7.743 -0.343 18788 6306 1 9 . 1 1 69 69 ALA N N 69 121.100 121.100 122.908 -1.808 18788 6307 1 9 . 1 1 69 69 ALA HA H 69 4.490 4.490 4.292 0.198 18788 6308 1 9 . 1 1 69 69 ALA C C 69 177.800 177.800 177.291 0.509 18788 6309 1 9 . 1 1 69 69 ALA CA C 69 51.400 51.400 52.136 -0.736 18788 6310 1 9 . 1 1 69 69 ALA CB C 69 19.200 19.200 19.455 -0.255 18788 6311 1 9 . 1 1 69 69 ALA H H 69 6.680 6.680 7.234 -0.554 18788 6312 1 9 . 1 1 70 70 LYS N N 70 125.700 125.700 121.369 4.331 18788 6313 1 9 . 1 1 70 70 LYS HA H 70 4.370 4.370 4.151 0.219 18788 6314 1 9 . 1 1 70 70 LYS C C 70 177.800 177.800 177.250 0.550 18788 6315 1 9 . 1 1 70 70 LYS CA C 70 57.800 57.800 57.653 0.147 18788 6316 1 9 . 1 1 70 70 LYS CB C 70 32.000 32.000 32.762 -0.762 18788 6317 1 9 . 1 1 70 70 LYS H H 70 10.130 10.130 8.563 1.567 18788 6318 1 9 . 1 1 71 71 LYS N N 71 121.300 121.300 117.874 3.426 18788 6319 1 9 . 1 1 71 71 LYS HA H 71 4.660 4.660 4.557 0.103 18788 6320 1 9 . 1 1 71 71 LYS C C 71 174.600 174.600 174.669 -0.069 18788 6321 1 9 . 1 1 71 71 LYS CA C 71 55.500 55.500 55.640 -0.140 18788 6322 1 9 . 1 1 71 71 LYS CB C 71 35.400 35.400 34.183 1.217 18788 6323 1 9 . 1 1 71 71 LYS H H 71 8.920 8.920 7.523 1.397 18788 6324 1 9 . 1 1 72 72 ILE N N 72 128.900 128.900 125.498 3.402 18788 6325 1 9 . 1 1 72 72 ILE HA H 72 5.240 5.240 5.080 0.160 18788 6326 1 9 . 1 1 72 72 ILE C C 72 175.300 175.300 175.007 0.293 18788 6327 1 9 . 1 1 72 72 ILE CA C 72 58.700 58.700 60.087 -1.387 18788 6328 1 9 . 1 1 72 72 ILE CB C 72 38.100 38.100 40.108 -2.009 18788 6329 1 9 . 1 1 72 72 ILE H H 72 8.960 8.960 8.307 0.653 18788 6330 1 9 . 1 1 73 73 GLU N N 73 123.100 123.100 126.058 -2.958 18788 6331 1 9 . 1 1 73 73 GLU HA H 73 5.240 5.240 5.262 -0.022 18788 6332 1 9 . 1 1 73 73 GLU C C 73 174.900 174.900 175.476 -0.576 18788 6333 1 9 . 1 1 73 73 GLU CA C 73 53.600 53.600 54.429 -0.830 18788 6334 1 9 . 1 1 73 73 GLU CB C 73 36.200 36.200 33.653 2.547 18788 6335 1 9 . 1 1 73 73 GLU H H 73 8.810 8.810 8.938 -0.128 18788 6336 1 9 . 1 1 74 74 VAL N N 74 117.300 117.300 118.116 -0.816 18788 6337 1 9 . 1 1 74 74 VAL HA H 74 4.550 4.550 4.842 -0.292 18788 6338 1 9 . 1 1 74 74 VAL C C 74 174.000 174.000 174.333 -0.333 18788 6339 1 9 . 1 1 74 74 VAL CA C 74 59.500 59.500 59.536 -0.036 18788 6340 1 9 . 1 1 74 74 VAL CB C 74 34.200 34.200 33.098 1.102 18788 6341 1 9 . 1 1 74 74 VAL H H 74 9.510 9.510 9.011 0.499 18788 6342 1 9 . 1 1 75 75 GLU N N 75 126.900 126.900 127.402 -0.502 18788 6343 1 9 . 1 1 75 75 GLU HA H 75 5.160 5.160 5.028 0.132 18788 6344 1 9 . 1 1 75 75 GLU C C 75 175.600 175.600 175.631 -0.031 18788 6345 1 9 . 1 1 75 75 GLU CA C 75 54.500 54.500 54.058 0.442 18788 6346 1 9 . 1 1 75 75 GLU CB C 75 35.900 35.900 32.397 3.503 18788 6347 1 9 . 1 1 75 75 GLU H H 75 8.860 8.860 9.206 -0.346 18788 6348 1 9 . 1 1 76 76 PHE N N 76 126.400 126.400 126.957 -0.557 18788 6349 1 9 . 1 1 76 76 PHE HA H 76 4.740 4.740 4.824 -0.084 18788 6350 1 9 . 1 1 76 76 PHE C C 76 175.600 175.600 175.507 0.093 18788 6351 1 9 . 1 1 76 76 PHE CA C 76 59.500 59.500 59.604 -0.104 18788 6352 1 9 . 1 1 76 76 PHE CB C 76 39.700 39.700 39.630 0.070 18788 6353 1 9 . 1 1 76 76 PHE H H 76 8.770 8.770 8.781 -0.011 18788 6354 1 9 . 1 1 77 77 ASP N N 77 123.000 123.000 122.475 0.525 18788 6355 1 9 . 1 1 77 77 ASP HA H 77 5.310 5.310 5.005 0.305 18788 6356 1 9 . 1 1 77 77 ASP C C 77 177.600 177.600 175.675 1.925 18788 6357 1 9 . 1 1 77 77 ASP CA C 77 51.800 51.800 53.462 -1.662 18788 6358 1 9 . 1 1 77 77 ASP CB C 77 42.900 42.900 44.522 -1.622 18788 6359 1 9 . 1 1 77 77 ASP H H 77 9.310 9.310 8.338 0.972 18788 6360 1 9 . 1 1 78 78 LYS N N 78 119.100 119.100 116.487 2.613 18788 6361 1 9 . 1 1 78 78 LYS HA H 78 4.240 4.240 4.189 0.051 18788 6362 1 9 . 1 1 78 78 LYS C C 78 177.100 177.100 177.499 -0.399 18788 6363 1 9 . 1 1 78 78 LYS CA C 78 57.700 57.700 57.974 -0.274 18788 6364 1 9 . 1 1 78 78 LYS CB C 78 33.400 33.400 32.172 1.228 18788 6365 1 9 . 1 1 78 78 LYS H H 78 10.360 10.360 8.290 2.070 18788 6366 1 9 . 1 1 79 79 GLY N N 79 111.100 111.100 106.408 4.692 18788 6367 1 9 . 1 1 79 79 GLY C C 79 173.600 173.600 174.705 -1.105 18788 6368 1 9 . 1 1 79 79 GLY CA C 79 44.500 44.500 46.189 -1.689 18788 6369 1 9 . 1 1 79 79 GLY H H 79 8.680 8.680 8.537 0.143 18788 6370 1 9 . 1 1 80 80 GLN N N 80 124.800 124.800 119.442 5.358 18788 6371 1 9 . 1 1 80 80 GLN HA H 80 4.140 4.140 4.557 -0.417 18788 6372 1 9 . 1 1 80 80 GLN C C 80 176.900 176.900 174.980 1.920 18788 6373 1 9 . 1 1 80 80 GLN CA C 80 57.200 57.200 54.899 2.301 18788 6374 1 9 . 1 1 80 80 GLN CB C 80 29.200 29.200 29.784 -0.584 18788 6375 1 9 . 1 1 80 80 GLN H H 80 8.800 8.800 7.937 0.863 18788 6376 1 9 . 1 1 81 81 ARG N N 81 120.700 120.700 117.690 3.010 18788 6377 1 9 . 1 1 81 81 ARG HA H 81 4.620 4.620 4.602 0.018 18788 6378 1 9 . 1 1 81 81 ARG C C 81 176.200 176.200 174.638 1.562 18788 6379 1 9 . 1 1 81 81 ARG CA C 81 57.500 57.500 56.862 0.638 18788 6380 1 9 . 1 1 81 81 ARG CB C 81 32.000 32.000 32.406 -0.406 18788 6381 1 9 . 1 1 81 81 ARG H H 81 8.640 8.640 8.571 0.069 18788 6382 1 9 . 1 1 82 82 THR N N 82 107.900 107.900 109.147 -1.247 18788 6383 1 9 . 1 1 82 82 THR HA H 82 5.540 5.540 4.841 0.699 18788 6384 1 9 . 1 1 82 82 THR C C 82 174.600 174.600 173.670 0.930 18788 6385 1 9 . 1 1 82 82 THR CA C 82 58.400 58.400 59.949 -1.549 18788 6386 1 9 . 1 1 82 82 THR CB C 82 72.500 72.500 71.523 0.977 18788 6387 1 9 . 1 1 82 82 THR H H 82 7.300 7.300 7.527 -0.227 18788 6388 1 9 . 1 1 83 83 ASP N N 83 121.300 121.300 121.221 0.079 18788 6389 1 9 . 1 1 83 83 ASP HA H 83 4.660 4.660 4.566 0.094 18788 6390 1 9 . 1 1 83 83 ASP C C 83 179.000 179.000 177.783 1.217 18788 6391 1 9 . 1 1 83 83 ASP CA C 83 51.700 51.700 53.751 -2.051 18788 6392 1 9 . 1 1 83 83 ASP CB C 83 42.100 42.100 42.866 -0.766 18788 6393 1 9 . 1 1 83 83 ASP H H 83 8.590 8.590 8.946 -0.356 18788 6394 1 9 . 1 1 85 85 TYR N N 85 119.300 119.300 117.713 1.587 18788 6395 1 9 . 1 1 85 85 TYR HA H 85 4.600 4.600 4.433 0.167 18788 6396 1 9 . 1 1 85 85 TYR C C 85 176.100 176.100 175.732 0.368 18788 6397 1 9 . 1 1 85 85 TYR CA C 85 57.100 57.100 58.184 -1.084 18788 6398 1 9 . 1 1 85 85 TYR CB C 85 37.900 37.900 38.226 -0.326 18788 6399 1 9 . 1 1 85 85 TYR H H 85 7.650 7.650 8.507 -0.857 18788 6400 1 9 . 1 1 86 86 GLY N N 86 108.500 108.500 107.887 0.613 18788 6401 1 9 . 1 1 86 86 GLY C C 86 174.400 174.400 173.875 0.525 18788 6402 1 9 . 1 1 86 86 GLY CA C 86 45.400 45.400 45.062 0.338 18788 6403 1 9 . 1 1 86 86 GLY H H 86 8.120 8.120 8.013 0.107 18788 6404 1 9 . 1 1 87 87 ARG N N 87 121.600 121.600 120.004 1.596 18788 6405 1 9 . 1 1 87 87 ARG HA H 87 4.430 4.430 4.622 -0.192 18788 6406 1 9 . 1 1 87 87 ARG C C 87 177.000 177.000 175.987 1.013 18788 6407 1 9 . 1 1 87 87 ARG CA C 87 55.300 55.300 54.344 0.956 18788 6408 1 9 . 1 1 87 87 ARG CB C 87 30.000 30.000 32.698 -2.698 18788 6409 1 9 . 1 1 87 87 ARG H H 87 8.600 8.600 7.366 1.234 18788 6410 1 9 . 1 1 88 88 GLY N N 88 108.000 108.000 110.682 -2.682 18788 6411 1 9 . 1 1 88 88 GLY C C 88 171.800 171.800 172.448 -0.648 18788 6412 1 9 . 1 1 88 88 GLY CA C 88 44.800 44.800 44.768 0.032 18788 6413 1 9 . 1 1 88 88 GLY H H 88 8.780 8.780 8.668 0.112 18788 6414 1 9 . 1 1 89 89 LEU N N 89 125.100 125.100 126.225 -1.125 18788 6415 1 9 . 1 1 89 89 LEU HA H 89 5.190 5.190 5.511 -0.322 18788 6416 1 9 . 1 1 89 89 LEU C C 89 174.800 174.800 175.520 -0.720 18788 6417 1 9 . 1 1 89 89 LEU CA C 89 52.800 52.800 53.724 -0.924 18788 6418 1 9 . 1 1 89 89 LEU CB C 89 42.900 42.900 42.151 0.749 18788 6419 1 9 . 1 1 89 89 LEU H H 89 8.220 8.220 8.627 -0.407 18788 6420 1 9 . 1 1 90 90 ALA N N 90 119.900 119.900 124.947 -5.047 18788 6421 1 9 . 1 1 90 90 ALA HA H 90 4.790 4.790 4.716 0.074 18788 6422 1 9 . 1 1 90 90 ALA C C 90 177.000 177.000 175.378 1.622 18788 6423 1 9 . 1 1 90 90 ALA CA C 90 50.800 50.800 50.805 -0.005 18788 6424 1 9 . 1 1 90 90 ALA CB C 90 23.700 23.700 22.396 1.304 18788 6425 1 9 . 1 1 90 90 ALA H H 90 7.400 7.400 7.831 -0.431 18788 6426 1 9 . 1 1 91 91 TYR N N 91 122.400 122.400 119.355 3.045 18788 6427 1 9 . 1 1 91 91 TYR HA H 91 4.650 4.650 4.523 0.127 18788 6428 1 9 . 1 1 91 91 TYR C C 91 174.600 174.600 175.387 -0.787 18788 6429 1 9 . 1 1 91 91 TYR CA C 91 57.200 57.200 58.597 -1.397 18788 6430 1 9 . 1 1 91 91 TYR CB C 91 37.600 37.600 39.236 -1.636 18788 6431 1 9 . 1 1 91 91 TYR H H 91 9.000 9.000 8.583 0.417 18788 6432 1 9 . 1 1 92 92 ILE N N 92 122.200 122.200 123.393 -1.193 18788 6433 1 9 . 1 1 92 92 ILE HA H 92 4.950 4.950 4.672 0.278 18788 6434 1 9 . 1 1 92 92 ILE C C 92 173.700 173.700 175.113 -1.413 18788 6435 1 9 . 1 1 92 92 ILE CA C 92 58.700 58.700 60.403 -1.703 18788 6436 1 9 . 1 1 92 92 ILE CB C 92 38.900 38.900 39.568 -0.668 18788 6437 1 9 . 1 1 92 92 ILE H H 92 7.830 7.830 8.848 -1.018 18788 6438 1 9 . 1 1 93 93 TYR N N 93 126.200 126.200 126.714 -0.514 18788 6439 1 9 . 1 1 93 93 TYR HA H 93 5.080 5.080 5.205 -0.125 18788 6440 1 9 . 1 1 93 93 TYR C C 93 173.900 173.900 174.620 -0.720 18788 6441 1 9 . 1 1 93 93 TYR CA C 93 56.500 56.500 55.974 0.526 18788 6442 1 9 . 1 1 93 93 TYR CB C 93 41.500 41.500 40.760 0.740 18788 6443 1 9 . 1 1 93 93 TYR H H 93 9.540 9.540 9.355 0.185 18788 6444 1 9 . 1 1 94 94 ALA N N 94 125.700 125.700 126.381 -0.681 18788 6445 1 9 . 1 1 94 94 ALA HA H 94 4.960 4.960 4.571 0.389 18788 6446 1 9 . 1 1 94 94 ALA C C 94 175.700 175.700 177.158 -1.458 18788 6447 1 9 . 1 1 94 94 ALA CA C 94 49.700 49.700 50.281 -0.581 18788 6448 1 9 . 1 1 94 94 ALA CB C 94 20.900 20.900 19.377 1.523 18788 6449 1 9 . 1 1 94 94 ALA H H 94 9.230 9.230 9.175 0.055 18788 6450 1 9 . 1 1 95 95 ASP N N 95 127.600 127.600 125.315 2.285 18788 6451 1 9 . 1 1 95 95 ASP HA H 95 4.430 4.430 4.309 0.121 18788 6452 1 9 . 1 1 95 95 ASP C C 95 176.100 176.100 176.106 -0.006 18788 6453 1 9 . 1 1 95 95 ASP CA C 95 56.500 56.500 55.641 0.859 18788 6454 1 9 . 1 1 95 95 ASP CB C 95 39.500 39.500 40.295 -0.795 18788 6455 1 9 . 1 1 95 95 ASP H H 95 9.720 9.720 9.271 0.449 18788 6456 1 9 . 1 1 96 96 GLY N N 96 103.000 103.000 102.198 0.802 18788 6457 1 9 . 1 1 96 96 GLY C C 96 173.800 173.800 174.279 -0.479 18788 6458 1 9 . 1 1 96 96 GLY CA C 96 45.400 45.400 45.269 0.131 18788 6459 1 9 . 1 1 96 96 GLY H H 96 9.420 9.420 8.585 0.835 18788 6460 1 9 . 1 1 97 97 LYS N N 97 121.400 121.400 122.753 -1.353 18788 6461 1 9 . 1 1 97 97 LYS HA H 97 4.670 4.670 4.572 0.098 18788 6462 1 9 . 1 1 97 97 LYS C C 97 176.000 176.000 175.643 0.357 18788 6463 1 9 . 1 1 97 97 LYS CA C 97 54.200 54.200 54.886 -0.686 18788 6464 1 9 . 1 1 97 97 LYS CB C 97 33.100 33.100 33.109 -0.009 18788 6465 1 9 . 1 1 97 97 LYS H H 97 7.870 7.870 8.069 -0.199 18788 6466 1 9 . 1 1 98 98 MET N N 98 127.000 127.000 126.449 0.551 18788 6467 1 9 . 1 1 98 98 MET HA H 98 3.780 3.780 4.017 -0.237 18788 6468 1 9 . 1 1 98 98 MET C C 98 177.700 177.700 176.599 1.101 18788 6469 1 9 . 1 1 98 98 MET CA C 98 56.100 56.100 55.861 0.239 18788 6470 1 9 . 1 1 98 98 MET CB C 98 34.700 34.700 32.236 2.464 18788 6471 1 9 . 1 1 98 98 MET H H 98 9.280 9.280 8.998 0.281 18788 6472 1 9 . 1 1 99 99 VAL N N 99 103.700 103.700 126.927 -23.227 18788 6473 1 9 . 1 1 99 99 VAL HA H 99 3.730 3.730 3.535 0.195 18788 6474 1 9 . 1 1 99 99 VAL C C 99 177.200 177.200 177.860 -0.660 18788 6475 1 9 . 1 1 99 99 VAL CA C 99 66.100 66.100 66.018 0.082 18788 6476 1 9 . 1 1 99 99 VAL CB C 99 32.400 32.400 31.047 1.353 18788 6477 1 9 . 1 1 99 99 VAL H H 99 10.190 10.190 9.003 1.187 18788 6478 1 9 . 1 1 100 100 ASN N N 100 108.600 108.600 114.853 -6.253 18788 6479 1 9 . 1 1 100 100 ASN HA H 100 4.080 4.080 4.372 -0.292 18788 6480 1 9 . 1 1 100 100 ASN C C 100 174.200 174.200 177.062 -2.862 18788 6481 1 9 . 1 1 100 100 ASN CA C 100 57.200 57.200 56.066 1.135 18788 6482 1 9 . 1 1 100 100 ASN CB C 100 34.700 34.700 37.692 -2.992 18788 6483 1 9 . 1 1 100 100 ASN H H 100 9.670 9.670 8.138 1.532 18788 6484 1 9 . 1 1 101 101 GLU N N 101 112.800 112.800 120.841 -8.041 18788 6485 1 9 . 1 1 101 101 GLU HA H 101 3.660 3.660 4.091 -0.431 18788 6486 1 9 . 1 1 101 101 GLU C C 101 176.100 176.100 177.963 -1.863 18788 6487 1 9 . 1 1 101 101 GLU CA C 101 59.800 59.800 59.209 0.591 18788 6488 1 9 . 1 1 101 101 GLU CB C 101 30.200 30.200 29.475 0.725 18788 6489 1 9 . 1 1 101 101 GLU H H 101 6.150 6.150 7.523 -1.373 18788 6490 1 9 . 1 1 102 102 ALA N N 102 122.600 122.600 123.236 -0.636 18788 6491 1 9 . 1 1 102 102 ALA HA H 102 4.070 4.070 4.157 -0.087 18788 6492 1 9 . 1 1 102 102 ALA C C 102 179.800 179.800 180.331 -0.531 18788 6493 1 9 . 1 1 102 102 ALA CA C 102 55.300 55.300 55.112 0.188 18788 6494 1 9 . 1 1 102 102 ALA CB C 102 17.900 17.900 18.087 -0.187 18788 6495 1 9 . 1 1 102 102 ALA H H 102 7.810 7.810 7.671 0.139 18788 6496 1 9 . 1 1 103 103 LEU N N 103 116.100 116.100 119.501 -3.401 18788 6497 1 9 . 1 1 103 103 LEU HA H 103 3.280 3.280 4.130 -0.850 18788 6498 1 9 . 1 1 103 103 LEU C C 103 178.900 178.900 179.022 -0.122 18788 6499 1 9 . 1 1 103 103 LEU CA C 103 57.800 57.800 58.679 -0.879 18788 6500 1 9 . 1 1 103 103 LEU CB C 103 45.500 45.500 41.776 3.724 18788 6501 1 9 . 1 1 103 103 LEU H H 103 8.070 8.070 8.002 0.068 18788 6502 1 9 . 1 1 104 104 VAL N N 104 116.600 116.600 119.010 -2.410 18788 6503 1 9 . 1 1 104 104 VAL HA H 104 3.870 3.870 3.960 -0.090 18788 6504 1 9 . 1 1 104 104 VAL C C 104 180.300 180.300 179.419 0.881 18788 6505 1 9 . 1 1 104 104 VAL CA C 104 65.000 65.000 65.905 -0.905 18788 6506 1 9 . 1 1 104 104 VAL CB C 104 32.000 32.000 31.587 0.413 18788 6507 1 9 . 1 1 104 104 VAL H H 104 6.890 6.890 7.521 -0.631 18788 6508 1 9 . 1 1 105 105 ARG N N 105 122.400 122.400 120.099 2.301 18788 6509 1 9 . 1 1 105 105 ARG HA H 105 4.130 4.130 4.192 -0.062 18788 6510 1 9 . 1 1 105 105 ARG C C 105 176.000 176.000 177.910 -1.910 18788 6511 1 9 . 1 1 105 105 ARG CA C 105 57.000 57.000 58.956 -1.956 18788 6512 1 9 . 1 1 105 105 ARG CB C 105 28.300 28.300 30.403 -2.103 18788 6513 1 9 . 1 1 105 105 ARG H H 105 9.140 9.140 8.523 0.617 18788 6514 1 9 . 1 1 106 106 GLN N N 106 112.000 112.000 115.828 -3.828 18788 6515 1 9 . 1 1 106 106 GLN HA H 106 4.320 4.320 4.313 0.007 18788 6516 1 9 . 1 1 106 106 GLN C C 106 175.600 175.600 175.624 -0.024 18788 6517 1 9 . 1 1 106 106 GLN CA C 106 53.800 53.800 54.779 -0.979 18788 6518 1 9 . 1 1 106 106 GLN CB C 106 28.300 28.300 29.089 -0.789 18788 6519 1 9 . 1 1 106 106 GLN H H 106 7.120 7.120 8.046 -0.926 18788 6520 1 9 . 1 1 107 107 GLY N N 107 107.100 107.100 106.787 0.313 18788 6521 1 9 . 1 1 107 107 GLY C C 107 172.400 172.400 174.366 -1.966 18788 6522 1 9 . 1 1 107 107 GLY CA C 107 46.300 46.300 46.187 0.113 18788 6523 1 9 . 1 1 107 107 GLY H H 107 8.080 8.080 7.822 0.258 18788 6524 1 9 . 1 1 108 108 LEU N N 108 115.100 115.100 119.230 -4.130 18788 6525 1 9 . 1 1 108 108 LEU HA H 108 4.300 4.300 4.518 -0.218 18788 6526 1 9 . 1 1 108 108 LEU C C 108 172.500 172.500 175.533 -3.033 18788 6527 1 9 . 1 1 108 108 LEU CA C 108 53.300 53.300 55.194 -1.894 18788 6528 1 9 . 1 1 108 108 LEU CB C 108 43.500 43.500 42.976 0.524 18788 6529 1 9 . 1 1 108 108 LEU H H 108 7.810 7.810 8.745 -0.935 18788 6530 1 9 . 1 1 109 109 ALA N N 109 112.900 112.900 118.927 -6.027 18788 6531 1 9 . 1 1 109 109 ALA HA H 109 4.500 4.500 4.909 -0.409 18788 6532 1 9 . 1 1 109 109 ALA C C 109 174.800 174.800 176.054 -1.254 18788 6533 1 9 . 1 1 109 109 ALA CA C 109 49.900 49.900 50.209 -0.309 18788 6534 1 9 . 1 1 109 109 ALA CB C 109 24.900 24.900 22.015 2.885 18788 6535 1 9 . 1 1 109 109 ALA H H 109 6.950 6.950 7.406 -0.456 18788 6536 1 9 . 1 1 110 110 LYS N N 110 117.700 117.700 119.200 -1.500 18788 6537 1 9 . 1 1 110 110 LYS HA H 110 5.120 5.120 4.991 0.129 18788 6538 1 9 . 1 1 110 110 LYS C C 110 175.800 175.800 175.783 0.017 18788 6539 1 9 . 1 1 110 110 LYS CA C 110 53.800 53.800 54.883 -1.083 18788 6540 1 9 . 1 1 110 110 LYS CB C 110 35.300 35.300 35.712 -0.412 18788 6541 1 9 . 1 1 110 110 LYS H H 110 7.890 7.890 8.647 -0.757 18788 6542 1 9 . 1 1 111 111 VAL N N 111 123.100 123.100 120.662 2.438 18788 6543 1 9 . 1 1 111 111 VAL HA H 111 4.630 4.630 4.373 0.257 18788 6544 1 9 . 1 1 111 111 VAL C C 111 176.500 176.500 175.684 0.816 18788 6545 1 9 . 1 1 111 111 VAL CA C 111 63.100 63.100 63.108 -0.008 18788 6546 1 9 . 1 1 111 111 VAL CB C 111 30.600 30.600 32.386 -1.786 18788 6547 1 9 . 1 1 111 111 VAL H H 111 9.180 9.180 9.262 -0.082 18788 6548 1 9 . 1 1 112 112 ALA N N 112 131.500 131.500 128.635 2.865 18788 6549 1 9 . 1 1 112 112 ALA HA H 112 4.150 4.150 4.677 -0.527 18788 6550 1 9 . 1 1 112 112 ALA C C 112 173.300 173.300 175.784 -2.484 18788 6551 1 9 . 1 1 112 112 ALA CA C 112 51.300 51.300 50.572 0.728 18788 6552 1 9 . 1 1 112 112 ALA CB C 112 23.900 23.900 21.261 2.639 18788 6553 1 9 . 1 1 112 112 ALA H H 112 8.000 8.000 8.451 -0.451 18788 6554 1 9 . 1 1 114 114 VAL N N 114 123.100 123.100 126.523 -3.423 18788 6555 1 9 . 1 1 114 114 VAL HA H 114 3.550 3.550 4.061 -0.511 18788 6556 1 9 . 1 1 114 114 VAL C C 114 174.600 174.600 175.056 -0.456 18788 6557 1 9 . 1 1 114 114 VAL CA C 114 62.000 62.000 62.261 -0.261 18788 6558 1 9 . 1 1 114 114 VAL CB C 114 30.300 30.300 32.333 -2.033 18788 6559 1 9 . 1 1 114 114 VAL H H 114 7.480 7.480 7.900 -0.420 18788 6560 1 9 . 1 1 115 115 TYR N N 115 130.100 130.100 126.536 3.564 18788 6561 1 9 . 1 1 115 115 TYR HA H 115 4.940 4.940 4.762 0.178 18788 6562 1 9 . 1 1 115 115 TYR C C 115 175.700 175.700 174.235 1.465 18788 6563 1 9 . 1 1 115 115 TYR CA C 115 54.900 54.900 56.805 -1.905 18788 6564 1 9 . 1 1 115 115 TYR CB C 115 38.200 38.200 42.546 -4.346 18788 6565 1 9 . 1 1 115 115 TYR H H 115 8.970 8.970 8.680 0.290 18788 6566 1 9 . 1 1 116 116 LYS N N 116 125.400 125.400 121.639 3.761 18788 6567 1 9 . 1 1 116 116 LYS HA H 116 3.940 3.940 4.741 -0.801 18788 6568 1 9 . 1 1 116 116 LYS C C 116 175.100 175.100 175.333 -0.233 18788 6569 1 9 . 1 1 116 116 LYS CA C 116 56.400 56.400 53.703 2.697 18788 6570 1 9 . 1 1 116 116 LYS CB C 116 31.600 31.600 33.040 -1.440 18788 6571 1 9 . 1 1 116 116 LYS H H 116 8.770 8.770 8.462 0.308 18788 6572 1 9 . 1 1 117 117 PRO HA H 117 4.620 4.620 4.511 0.109 18788 6573 1 9 . 1 1 117 117 PRO C C 117 175.600 175.600 175.928 -0.328 18788 6574 1 9 . 1 1 117 117 PRO CA C 117 64.100 64.100 62.894 1.206 18788 6575 1 9 . 1 1 117 117 PRO CB C 117 32.600 32.600 31.806 0.793 18788 6576 1 9 . 1 1 118 118 ASN N N 118 128.800 128.800 119.566 9.234 18788 6577 1 9 . 1 1 118 118 ASN HA H 118 5.310 5.310 4.659 0.651 18788 6578 1 9 . 1 1 118 118 ASN C C 118 174.500 174.500 174.338 0.162 18788 6579 1 9 . 1 1 118 118 ASN CA C 118 51.600 51.600 54.207 -2.607 18788 6580 1 9 . 1 1 118 118 ASN CB C 118 36.200 36.200 37.728 -1.528 18788 6581 1 9 . 1 1 118 118 ASN H H 118 8.710 8.710 8.605 0.105 18788 6582 1 9 . 1 1 119 119 ASN N N 119 117.600 117.600 119.081 -1.481 18788 6583 1 9 . 1 1 119 119 ASN HA H 119 5.020 5.020 4.927 0.093 18788 6584 1 9 . 1 1 119 119 ASN C C 119 177.500 177.500 176.794 0.706 18788 6585 1 9 . 1 1 119 119 ASN CA C 119 51.900 51.900 54.159 -2.259 18788 6586 1 9 . 1 1 119 119 ASN CB C 119 39.100 39.100 40.682 -1.582 18788 6587 1 9 . 1 1 119 119 ASN H H 119 8.120 8.120 8.554 -0.434 18788 6588 1 9 . 1 1 120 120 THR N N 120 124.400 124.400 118.292 6.108 18788 6589 1 9 . 1 1 120 120 THR HA H 120 3.850 3.850 4.084 -0.234 18788 6590 1 9 . 1 1 120 120 THR C C 120 176.400 176.400 175.265 1.135 18788 6591 1 9 . 1 1 120 120 THR CA C 120 69.100 69.100 65.708 3.392 18788 6592 1 9 . 1 1 120 120 THR CB C 120 66.800 66.800 68.635 -1.835 18788 6593 1 9 . 1 1 120 120 THR H H 120 10.730 10.730 8.989 1.741 18788 6594 1 9 . 1 1 121 121 HIS N N 121 113.400 113.400 118.095 -4.695 18788 6595 1 9 . 1 1 121 121 HIS HA H 121 5.420 5.420 4.880 0.540 18788 6596 1 9 . 1 1 121 121 HIS C C 121 174.800 174.800 174.812 -0.012 18788 6597 1 9 . 1 1 121 121 HIS CA C 121 53.900 53.900 54.699 -0.799 18788 6598 1 9 . 1 1 121 121 HIS CB C 121 29.400 29.400 29.831 -0.431 18788 6599 1 9 . 1 1 121 121 HIS H H 121 6.860 6.860 7.784 -0.924 18788 6600 1 9 . 1 1 122 122 GLU N N 122 120.200 120.200 122.700 -2.500 18788 6601 1 9 . 1 1 122 122 GLU HA H 122 3.700 3.700 3.960 -0.260 18788 6602 1 9 . 1 1 122 122 GLU C C 122 177.200 177.200 178.124 -0.924 18788 6603 1 9 . 1 1 122 122 GLU CA C 122 61.200 61.200 60.971 0.229 18788 6604 1 9 . 1 1 122 122 GLU CB C 122 29.900 29.900 29.665 0.235 18788 6605 1 9 . 1 1 122 122 GLU H H 122 7.540 7.540 8.200 -0.660 18788 6606 1 9 . 1 1 123 123 GLN N N 123 117.200 117.200 118.055 -0.855 18788 6607 1 9 . 1 1 123 123 GLN HA H 123 3.970 3.970 4.085 -0.115 18788 6608 1 9 . 1 1 123 123 GLN C C 123 178.600 178.600 178.487 0.113 18788 6609 1 9 . 1 1 123 123 GLN CA C 123 59.500 59.500 58.379 1.121 18788 6610 1 9 . 1 1 123 123 GLN CB C 123 27.100 27.100 28.068 -0.968 18788 6611 1 9 . 1 1 123 123 GLN H H 123 8.920 8.920 8.429 0.491 18788 6612 1 9 . 1 1 124 124 LEU N N 124 122.000 122.000 121.361 0.639 18788 6613 1 9 . 1 1 124 124 LEU HA H 124 4.090 4.090 4.162 -0.072 18788 6614 1 9 . 1 1 124 124 LEU C C 124 179.100 179.100 178.404 0.696 18788 6615 1 9 . 1 1 124 124 LEU CA C 124 58.600 58.600 57.603 0.997 18788 6616 1 9 . 1 1 124 124 LEU CB C 124 42.000 42.000 41.225 0.775 18788 6617 1 9 . 1 1 124 124 LEU H H 124 7.940 7.940 7.718 0.222 18788 6618 1 9 . 1 1 125 125 LEU N N 125 118.900 118.900 118.217 0.683 18788 6619 1 9 . 1 1 125 125 LEU HA H 125 4.000 4.000 4.000 -0.000 18788 6620 1 9 . 1 1 125 125 LEU C C 125 179.200 179.200 179.505 -0.305 18788 6621 1 9 . 1 1 125 125 LEU CA C 125 58.900 58.900 57.776 1.124 18788 6622 1 9 . 1 1 125 125 LEU CB C 125 41.100 41.100 41.445 -0.345 18788 6623 1 9 . 1 1 125 125 LEU H H 125 8.030 8.030 7.998 0.032 18788 6624 1 9 . 1 1 126 126 ARG N N 126 118.800 118.800 119.408 -0.608 18788 6625 1 9 . 1 1 126 126 ARG HA H 126 4.030 4.030 3.943 0.087 18788 6626 1 9 . 1 1 126 126 ARG C C 126 179.700 179.700 178.476 1.224 18788 6627 1 9 . 1 1 126 126 ARG CA C 126 60.600 60.600 60.022 0.578 18788 6628 1 9 . 1 1 126 126 ARG CB C 126 29.100 29.100 30.003 -0.903 18788 6629 1 9 . 1 1 126 126 ARG H H 126 9.010 9.010 8.453 0.557 18788 6630 1 9 . 1 1 127 127 LYS N N 127 122.700 122.700 119.671 3.029 18788 6631 1 9 . 1 1 127 127 LYS HA H 127 4.150 4.150 4.087 0.063 18788 6632 1 9 . 1 1 127 127 LYS C C 127 179.800 179.800 179.005 0.795 18788 6633 1 9 . 1 1 127 127 LYS CA C 127 60.100 60.100 59.031 1.069 18788 6634 1 9 . 1 1 127 127 LYS CB C 127 31.700 31.700 31.340 0.360 18788 6635 1 9 . 1 1 127 127 LYS H H 127 8.160 8.160 7.755 0.405 18788 6636 1 9 . 1 1 128 128 SER N N 128 118.300 118.300 116.931 1.369 18788 6637 1 9 . 1 1 128 128 SER HA H 128 4.320 4.320 4.131 0.189 18788 6638 1 9 . 1 1 128 128 SER C C 128 175.500 175.500 176.328 -0.828 18788 6639 1 9 . 1 1 128 128 SER CA C 128 63.600 63.600 62.756 0.844 18788 6640 1 9 . 1 1 128 128 SER CB C 128 62.600 62.600 62.957 -0.357 18788 6641 1 9 . 1 1 128 128 SER H H 128 7.830 7.830 7.713 0.117 18788 6642 1 9 . 1 1 129 129 GLU N N 129 125.200 125.200 123.080 2.120 18788 6643 1 9 . 1 1 129 129 GLU HA H 129 3.900 3.900 4.134 -0.234 18788 6644 1 9 . 1 1 129 129 GLU C C 129 177.400 177.400 178.375 -0.975 18788 6645 1 9 . 1 1 129 129 GLU CA C 129 59.200 59.200 59.324 -0.124 18788 6646 1 9 . 1 1 129 129 GLU CB C 129 30.900 30.900 29.739 1.161 18788 6647 1 9 . 1 1 129 129 GLU H H 129 8.580 8.580 8.117 0.463 18788 6648 1 9 . 1 1 130 130 ALA N N 130 119.500 119.500 121.860 -2.360 18788 6649 1 9 . 1 1 130 130 ALA HA H 130 3.850 3.850 3.846 0.004 18788 6650 1 9 . 1 1 130 130 ALA C C 130 181.000 181.000 179.852 1.148 18788 6651 1 9 . 1 1 130 130 ALA CA C 130 55.000 55.000 55.170 -0.170 18788 6652 1 9 . 1 1 130 130 ALA CB C 130 17.600 17.600 17.885 -0.285 18788 6653 1 9 . 1 1 130 130 ALA H H 130 7.950 7.950 8.321 -0.371 18788 6654 1 9 . 1 1 131 131 GLN N N 131 118.600 118.600 118.776 -0.176 18788 6655 1 9 . 1 1 131 131 GLN HA H 131 3.990 3.990 4.014 -0.024 18788 6656 1 9 . 1 1 131 131 GLN C C 131 177.200 177.200 178.223 -1.023 18788 6657 1 9 . 1 1 131 131 GLN CA C 131 58.800 58.800 58.544 0.256 18788 6658 1 9 . 1 1 131 131 GLN CB C 131 28.000 28.000 28.519 -0.519 18788 6659 1 9 . 1 1 131 131 GLN H H 131 7.520 7.520 8.034 -0.514 18788 6660 1 9 . 1 1 132 132 ALA N N 132 123.100 123.100 122.181 0.919 18788 6661 1 9 . 1 1 132 132 ALA HA H 132 3.930 3.930 4.075 -0.145 18788 6662 1 9 . 1 1 132 132 ALA C C 132 179.500 179.500 179.649 -0.149 18788 6663 1 9 . 1 1 132 132 ALA CA C 132 55.600 55.600 55.091 0.509 18788 6664 1 9 . 1 1 132 132 ALA CB C 132 18.400 18.400 18.595 -0.195 18788 6665 1 9 . 1 1 132 132 ALA H H 132 8.000 8.000 7.879 0.121 18788 6666 1 9 . 1 1 133 133 LYS N N 133 117.200 117.200 117.110 0.090 18788 6667 1 9 . 1 1 133 133 LYS HA H 133 3.450 3.450 3.503 -0.053 18788 6668 1 9 . 1 1 133 133 LYS C C 133 180.800 180.800 178.360 2.440 18788 6669 1 9 . 1 1 133 133 LYS CA C 133 59.500 59.500 59.274 0.226 18788 6670 1 9 . 1 1 133 133 LYS CB C 133 32.200 32.200 32.076 0.124 18788 6671 1 9 . 1 1 133 133 LYS H H 133 8.170 8.170 7.987 0.183 18788 6672 1 9 . 1 1 134 134 LYS N N 134 122.600 122.600 117.191 5.409 18788 6673 1 9 . 1 1 134 134 LYS HA H 134 3.960 3.960 4.090 -0.130 18788 6674 1 9 . 1 1 134 134 LYS C C 134 178.700 178.700 178.483 0.217 18788 6675 1 9 . 1 1 134 134 LYS CA C 134 59.200 59.200 58.425 0.775 18788 6676 1 9 . 1 1 134 134 LYS CB C 134 32.200 32.200 32.239 -0.039 18788 6677 1 9 . 1 1 134 134 LYS H H 134 7.830 7.830 7.639 0.191 18788 6678 1 9 . 1 1 135 135 GLU N N 135 116.500 116.500 117.256 -0.756 18788 6679 1 9 . 1 1 135 135 GLU HA H 135 4.030 4.030 4.369 -0.339 18788 6680 1 9 . 1 1 135 135 GLU C C 135 174.500 174.500 175.136 -0.636 18788 6681 1 9 . 1 1 135 135 GLU CA C 135 56.700 56.700 56.078 0.622 18788 6682 1 9 . 1 1 135 135 GLU CB C 135 29.700 29.700 29.965 -0.265 18788 6683 1 9 . 1 1 135 135 GLU H H 135 7.680 7.680 7.579 0.101 18788 6684 1 9 . 1 1 136 136 LYS N N 136 116.800 116.800 116.796 0.004 18788 6685 1 9 . 1 1 136 136 LYS HA H 136 3.540 3.540 4.058 -0.518 18788 6686 1 9 . 1 1 136 136 LYS C C 136 175.000 175.000 176.054 -1.054 18788 6687 1 9 . 1 1 136 136 LYS CA C 136 56.800 56.800 56.654 0.146 18788 6688 1 9 . 1 1 136 136 LYS CB C 136 28.800 28.800 29.653 -0.853 18788 6689 1 9 . 1 1 136 136 LYS H H 136 7.820 7.820 7.320 0.500 18788 6690 1 9 . 1 1 137 137 LEU N N 137 117.000 117.000 118.803 -1.803 18788 6691 1 9 . 1 1 137 137 LEU HA H 137 4.190 4.190 4.115 0.075 18788 6692 1 9 . 1 1 137 137 LEU C C 137 178.500 178.500 178.298 0.202 18788 6693 1 9 . 1 1 137 137 LEU CA C 137 55.000 55.000 55.818 -0.818 18788 6694 1 9 . 1 1 137 137 LEU CB C 137 44.000 44.000 42.245 1.755 18788 6695 1 9 . 1 1 137 137 LEU H H 137 7.650 7.650 8.344 -0.694 18788 6696 1 9 . 1 1 138 138 ASN N N 138 118.700 118.700 118.521 0.179 18788 6697 1 9 . 1 1 138 138 ASN HA H 138 3.730 3.730 4.338 -0.608 18788 6698 1 9 . 1 1 138 138 ASN C C 138 176.300 176.300 177.719 -1.419 18788 6699 1 9 . 1 1 138 138 ASN CA C 138 56.600 56.600 56.217 0.383 18788 6700 1 9 . 1 1 138 138 ASN CB C 138 38.700 38.700 38.231 0.469 18788 6701 1 9 . 1 1 138 138 ASN H H 138 9.050 9.050 8.821 0.229 18788 6702 1 9 . 1 1 139 139 ILE N N 139 123.800 123.800 118.502 5.298 18788 6703 1 9 . 1 1 139 139 ILE HA H 139 3.380 3.380 3.807 -0.427 18788 6704 1 9 . 1 1 139 139 ILE C C 139 176.700 176.700 176.204 0.496 18788 6705 1 9 . 1 1 139 139 ILE CA C 139 65.700 65.700 62.666 3.034 18788 6706 1 9 . 1 1 139 139 ILE CB C 139 37.000 37.000 38.068 -1.068 18788 6707 1 9 . 1 1 139 139 ILE H H 139 8.350 8.350 7.860 0.490 18788 6708 1 9 . 1 1 140 140 TRP N N 140 119.700 119.700 118.635 1.065 18788 6709 1 9 . 1 1 140 140 TRP HA H 140 4.940 4.940 4.563 0.377 18788 6710 1 9 . 1 1 140 140 TRP C C 140 176.200 176.200 175.523 0.677 18788 6711 1 9 . 1 1 140 140 TRP CA C 140 54.900 54.900 56.730 -1.830 18788 6712 1 9 . 1 1 140 140 TRP CB C 140 30.000 30.000 29.772 0.228 18788 6713 1 9 . 1 1 140 140 TRP H H 140 7.850 7.850 7.582 0.268 18788 6714 1 9 . 1 1 141 141 SER N N 141 116.100 116.100 114.743 1.357 18788 6715 1 9 . 1 1 141 141 SER HA H 141 4.220 4.220 4.571 -0.351 18788 6716 1 9 . 1 1 141 141 SER C C 141 175.200 175.200 175.117 0.083 18788 6717 1 9 . 1 1 141 141 SER CA C 141 59.800 59.800 58.828 0.972 18788 6718 1 9 . 1 1 141 141 SER CB C 141 64.600 64.600 63.771 0.829 18788 6719 1 9 . 1 1 141 141 SER H H 141 8.080 8.080 7.778 0.302 18788 6720 1 9 . 1 1 142 142 GLU N N 142 121.200 121.200 125.593 -4.393 18788 6721 1 9 . 1 1 142 142 GLU HA H 142 4.430 4.430 4.392 0.038 18788 6722 1 9 . 1 1 142 142 GLU C C 142 176.200 176.200 175.318 0.882 18788 6723 1 9 . 1 1 142 142 GLU CA C 142 56.100 56.100 55.100 1.000 18788 6724 1 9 . 1 1 142 142 GLU CB C 142 30.500 30.500 29.117 1.383 18788 6725 1 9 . 1 1 142 142 GLU H H 142 8.020 8.020 8.667 -0.647 18788 6726 1 9 . 1 1 143 143 ASP N N 143 121.400 121.400 125.003 -3.603 18788 6727 1 9 . 1 1 143 143 ASP HA H 143 4.620 4.620 4.566 0.054 18788 6728 1 9 . 1 1 143 143 ASP C C 143 176.100 176.100 176.602 -0.502 18788 6729 1 9 . 1 1 143 143 ASP CA C 143 54.800 54.800 53.984 0.816 18788 6730 1 9 . 1 1 143 143 ASP CB C 143 41.200 41.200 41.368 -0.168 18788 6731 1 9 . 1 1 143 143 ASP H H 143 8.370 8.370 8.034 0.336 18788 6732 1 9 . 1 1 144 144 ASN N N 144 119.300 119.300 124.771 -5.471 18788 6733 1 9 . 1 1 144 144 ASN HA H 144 4.760 4.760 4.291 0.469 18788 6734 1 9 . 1 1 144 144 ASN C C 144 175.200 175.200 176.540 -1.340 18788 6735 1 9 . 1 1 144 144 ASN CA C 144 53.200 53.200 56.601 -3.401 18788 6736 1 9 . 1 1 144 144 ASN CB C 144 39.000 39.000 38.377 0.623 18788 6737 1 9 . 1 1 144 144 ASN H H 144 8.400 8.400 8.335 0.065 18788 6738 1 9 . 1 1 145 145 ALA N N 145 124.300 124.300 118.569 5.731 18788 6739 1 9 . 1 1 145 145 ALA HA H 145 4.310 4.310 4.227 0.083 18788 6740 1 9 . 1 1 145 145 ALA C C 145 177.700 177.700 177.562 0.138 18788 6741 1 9 . 1 1 145 145 ALA CA C 145 53.300 53.300 53.276 0.024 18788 6742 1 9 . 1 1 145 145 ALA CB C 145 19.200 19.200 18.857 0.343 18788 6743 1 9 . 1 1 145 145 ALA H H 145 8.240 8.240 7.738 0.502 18788 6744 1 9 . 1 1 146 146 ASP N N 146 119.200 119.200 119.291 -0.091 18788 6745 1 9 . 1 1 146 146 ASP HA H 146 4.670 4.670 4.457 0.213 18788 6746 1 9 . 1 1 146 146 ASP C C 146 176.400 176.400 176.803 -0.403 18788 6747 1 9 . 1 1 146 146 ASP CA C 146 54.400 54.400 55.885 -1.485 18788 6748 1 9 . 1 1 146 146 ASP CB C 146 41.200 41.200 41.623 -0.423 18788 6749 1 9 . 1 1 146 146 ASP H H 146 8.340 8.340 7.966 0.374 18788 6750 1 9 . 1 1 147 147 SER N N 147 116.100 116.100 115.516 0.584 18788 6751 1 9 . 1 1 147 147 SER HA H 147 4.450 4.450 4.527 -0.077 18788 6752 1 9 . 1 1 147 147 SER C C 147 175.200 175.200 173.510 1.690 18788 6753 1 9 . 1 1 147 147 SER CA C 147 58.900 58.900 58.228 0.672 18788 6754 1 9 . 1 1 147 147 SER CB C 147 64.100 64.100 62.795 1.305 18788 6755 1 9 . 1 1 147 147 SER H H 147 8.220 8.220 7.855 0.365 18788 6756 1 9 . 1 1 148 148 GLY N N 148 111.200 111.200 112.799 -1.599 18788 6757 1 9 . 1 1 148 148 GLY C C 148 173.400 173.400 172.367 1.033 18788 6758 1 9 . 1 1 148 148 GLY CA C 148 45.500 45.500 44.668 0.832 18788 6759 1 9 . 1 1 148 148 GLY H H 148 8.470 8.470 7.399 1.071 18788 6760 1 10 . 1 1 2 2 THR N N 2 120.300 120.300 114.917 5.383 18788 6761 1 10 . 1 1 2 2 THR HA H 2 4.430 4.430 4.954 -0.524 18788 6762 1 10 . 1 1 2 2 THR C C 2 174.400 174.400 172.525 1.875 18788 6763 1 10 . 1 1 2 2 THR CA C 2 62.100 62.100 62.189 -0.089 18788 6764 1 10 . 1 1 2 2 THR CB C 2 69.900 69.900 69.944 -0.044 18788 6765 1 10 . 1 1 2 2 THR H H 2 8.320 8.320 8.885 -0.565 18788 6766 1 10 . 1 1 3 3 SER N N 3 118.700 118.700 117.968 0.732 18788 6767 1 10 . 1 1 3 3 SER HA H 3 5.000 5.000 4.609 0.391 18788 6768 1 10 . 1 1 3 3 SER CA C 3 58.400 58.400 58.674 -0.274 18788 6769 1 10 . 1 1 3 3 SER CB C 3 68.800 68.800 64.099 4.701 18788 6770 1 10 . 1 1 3 3 SER H H 3 8.520 8.520 8.377 0.143 18788 6771 1 10 . 1 1 4 4 THR HA H 4 4.380 4.380 4.552 -0.172 18788 6772 1 10 . 1 1 4 4 THR C C 4 174.400 174.400 173.105 1.295 18788 6773 1 10 . 1 1 4 4 THR CA C 4 62.000 62.000 62.233 -0.234 18788 6774 1 10 . 1 1 4 4 THR CB C 4 69.700 69.700 68.388 1.312 18788 6775 1 10 . 1 1 5 5 LYS N N 5 124.000 124.000 125.149 -1.149 18788 6776 1 10 . 1 1 5 5 LYS HA H 5 4.370 4.370 4.308 0.062 18788 6777 1 10 . 1 1 5 5 LYS C C 5 176.100 176.100 174.055 2.045 18788 6778 1 10 . 1 1 5 5 LYS CA C 5 56.500 56.500 57.562 -1.062 18788 6779 1 10 . 1 1 5 5 LYS CB C 5 32.900 32.900 33.550 -0.650 18788 6780 1 10 . 1 1 5 5 LYS H H 5 8.320 8.320 8.217 0.103 18788 6781 1 10 . 1 1 6 6 LYS N N 6 122.500 122.500 125.546 -3.046 18788 6782 1 10 . 1 1 6 6 LYS HA H 6 4.400 4.400 4.626 -0.226 18788 6783 1 10 . 1 1 6 6 LYS C C 6 176.200 176.200 175.890 0.310 18788 6784 1 10 . 1 1 6 6 LYS CA C 6 55.900 55.900 55.403 0.497 18788 6785 1 10 . 1 1 6 6 LYS CB C 6 33.600 33.600 34.578 -0.978 18788 6786 1 10 . 1 1 6 6 LYS H H 6 8.220 8.220 8.489 -0.269 18788 6787 1 10 . 1 1 7 7 LEU N N 7 122.200 122.200 117.262 4.938 18788 6788 1 10 . 1 1 7 7 LEU HA H 7 4.550 4.550 4.099 0.451 18788 6789 1 10 . 1 1 7 7 LEU C C 7 176.600 176.600 176.130 0.470 18788 6790 1 10 . 1 1 7 7 LEU CA C 7 54.800 54.800 56.086 -1.286 18788 6791 1 10 . 1 1 7 7 LEU CB C 7 41.500 41.500 41.741 -0.241 18788 6792 1 10 . 1 1 7 7 LEU H H 7 8.340 8.340 8.561 -0.221 18788 6793 1 10 . 1 1 8 8 HIS N N 8 119.200 119.200 114.973 4.227 18788 6794 1 10 . 1 1 8 8 HIS HA H 8 4.990 4.990 4.977 0.013 18788 6795 1 10 . 1 1 8 8 HIS C C 8 173.700 173.700 173.921 -0.221 18788 6796 1 10 . 1 1 8 8 HIS CA C 8 55.300 55.300 54.594 0.706 18788 6797 1 10 . 1 1 8 8 HIS CB C 8 32.200 32.200 32.676 -0.476 18788 6798 1 10 . 1 1 8 8 HIS H H 8 8.860 8.860 8.362 0.498 18788 6799 1 10 . 1 1 9 9 LYS N N 9 124.000 124.000 125.954 -1.954 18788 6800 1 10 . 1 1 9 9 LYS HA H 9 4.840 4.840 4.467 0.373 18788 6801 1 10 . 1 1 9 9 LYS C C 9 176.400 176.400 175.963 0.437 18788 6802 1 10 . 1 1 9 9 LYS CA C 9 55.700 55.700 56.422 -0.722 18788 6803 1 10 . 1 1 9 9 LYS CB C 9 34.700 34.700 33.197 1.503 18788 6804 1 10 . 1 1 9 9 LYS H H 9 8.480 8.480 8.739 -0.259 18788 6805 1 10 . 1 1 10 10 GLU N N 10 123.100 123.100 125.434 -2.334 18788 6806 1 10 . 1 1 10 10 GLU HA H 10 5.060 5.060 5.064 -0.004 18788 6807 1 10 . 1 1 10 10 GLU C C 10 173.200 173.200 174.700 -1.500 18788 6808 1 10 . 1 1 10 10 GLU CA C 10 53.400 53.400 52.739 0.662 18788 6809 1 10 . 1 1 10 10 GLU CB C 10 33.000 33.000 31.666 1.334 18788 6810 1 10 . 1 1 10 10 GLU H H 10 9.390 9.390 9.010 0.380 18788 6811 1 10 . 1 1 11 11 PRO HA H 11 4.900 4.900 5.145 -0.245 18788 6812 1 10 . 1 1 11 11 PRO C C 11 175.400 175.400 175.961 -0.561 18788 6813 1 10 . 1 1 11 11 PRO CA C 11 63.100 63.100 62.660 0.440 18788 6814 1 10 . 1 1 11 11 PRO CB C 11 33.000 33.000 32.544 0.456 18788 6815 1 10 . 1 1 12 12 ALA N N 12 119.700 119.700 123.118 -3.418 18788 6816 1 10 . 1 1 12 12 ALA HA H 12 4.990 4.990 4.970 0.020 18788 6817 1 10 . 1 1 12 12 ALA C C 12 175.400 175.400 175.253 0.147 18788 6818 1 10 . 1 1 12 12 ALA CA C 12 51.600 51.600 51.209 0.391 18788 6819 1 10 . 1 1 12 12 ALA CB C 12 24.600 24.600 22.903 1.697 18788 6820 1 10 . 1 1 12 12 ALA H H 12 8.070 8.070 8.901 -0.831 18788 6821 1 10 . 1 1 13 13 THR N N 13 109.100 109.100 114.239 -5.139 18788 6822 1 10 . 1 1 13 13 THR HA H 13 4.700 4.700 4.692 0.008 18788 6823 1 10 . 1 1 13 13 THR C C 13 174.000 174.000 173.049 0.951 18788 6824 1 10 . 1 1 13 13 THR CA C 13 60.700 60.700 61.236 -0.536 18788 6825 1 10 . 1 1 13 13 THR CB C 13 71.600 71.600 72.117 -0.517 18788 6826 1 10 . 1 1 13 13 THR H H 13 8.090 8.090 8.516 -0.426 18788 6827 1 10 . 1 1 14 14 LEU N N 14 125.200 125.200 126.093 -0.893 18788 6828 1 10 . 1 1 14 14 LEU HA H 14 4.140 4.140 4.255 -0.115 18788 6829 1 10 . 1 1 14 14 LEU C C 14 176.700 176.700 175.416 1.284 18788 6830 1 10 . 1 1 14 14 LEU CA C 14 56.800 56.800 55.849 0.951 18788 6831 1 10 . 1 1 14 14 LEU CB C 14 42.900 42.900 43.013 -0.113 18788 6832 1 10 . 1 1 14 14 LEU H H 14 9.150 9.150 8.833 0.317 18788 6833 1 10 . 1 1 15 15 ILE N N 15 125.200 125.200 123.449 1.751 18788 6834 1 10 . 1 1 15 15 ILE HA H 15 4.220 4.220 4.141 0.079 18788 6835 1 10 . 1 1 15 15 ILE C C 15 175.900 175.900 175.702 0.198 18788 6836 1 10 . 1 1 15 15 ILE CA C 15 64.300 64.300 62.328 1.972 18788 6837 1 10 . 1 1 15 15 ILE CB C 15 38.700 38.700 39.104 -0.404 18788 6838 1 10 . 1 1 15 15 ILE H H 15 8.460 8.460 8.830 -0.370 18788 6839 1 10 . 1 1 16 16 LYS N N 16 114.100 114.100 117.482 -3.382 18788 6840 1 10 . 1 1 16 16 LYS HA H 16 4.460 4.460 4.660 -0.200 18788 6841 1 10 . 1 1 16 16 LYS C C 16 174.000 174.000 174.371 -0.371 18788 6842 1 10 . 1 1 16 16 LYS CA C 16 56.600 56.600 54.745 1.855 18788 6843 1 10 . 1 1 16 16 LYS CB C 16 35.300 35.300 36.634 -1.334 18788 6844 1 10 . 1 1 16 16 LYS H H 16 8.050 8.050 8.080 -0.030 18788 6845 1 10 . 1 1 17 17 ALA N N 17 129.100 129.100 124.881 4.219 18788 6846 1 10 . 1 1 17 17 ALA HA H 17 4.480 4.480 4.363 0.117 18788 6847 1 10 . 1 1 17 17 ALA C C 17 175.700 175.700 177.027 -1.327 18788 6848 1 10 . 1 1 17 17 ALA CA C 17 52.300 52.300 52.215 0.084 18788 6849 1 10 . 1 1 17 17 ALA CB C 17 18.200 18.200 19.426 -1.226 18788 6850 1 10 . 1 1 17 17 ALA H H 17 9.470 9.470 8.680 0.790 18788 6851 1 10 . 1 1 18 18 ILE N N 18 123.500 123.500 123.964 -0.464 18788 6852 1 10 . 1 1 18 18 ILE HA H 18 4.110 4.110 4.186 -0.076 18788 6853 1 10 . 1 1 18 18 ILE C C 18 175.100 175.100 176.555 -1.455 18788 6854 1 10 . 1 1 18 18 ILE CA C 18 63.200 63.200 61.880 1.320 18788 6855 1 10 . 1 1 18 18 ILE CB C 18 37.800 37.800 38.047 -0.247 18788 6856 1 10 . 1 1 18 18 ILE H H 18 8.070 8.070 8.449 -0.379 18788 6857 1 10 . 1 1 19 19 ASP N N 19 120.500 120.500 116.993 3.507 18788 6858 1 10 . 1 1 19 19 ASP HA H 19 4.730 4.730 4.662 0.068 18788 6859 1 10 . 1 1 19 19 ASP C C 19 176.800 176.800 176.781 0.019 18788 6860 1 10 . 1 1 19 19 ASP CA C 19 53.400 53.400 53.788 -0.388 18788 6861 1 10 . 1 1 19 19 ASP CB C 19 40.100 40.100 42.770 -2.670 18788 6862 1 10 . 1 1 19 19 ASP H H 19 8.290 8.290 8.075 0.215 18788 6863 1 10 . 1 1 20 20 GLY N N 20 103.500 103.500 107.164 -3.664 18788 6864 1 10 . 1 1 20 20 GLY C C 20 173.300 173.300 174.981 -1.681 18788 6865 1 10 . 1 1 20 20 GLY CA C 20 47.700 47.700 47.675 0.025 18788 6866 1 10 . 1 1 20 20 GLY H H 20 8.460 8.460 8.707 -0.247 18788 6867 1 10 . 1 1 21 21 ASP N N 21 111.200 111.200 117.308 -6.108 18788 6868 1 10 . 1 1 21 21 ASP HA H 21 4.850 4.850 4.677 0.173 18788 6869 1 10 . 1 1 21 21 ASP C C 21 175.300 175.300 175.327 -0.027 18788 6870 1 10 . 1 1 21 21 ASP CA C 21 52.100 52.100 54.005 -1.905 18788 6871 1 10 . 1 1 21 21 ASP CB C 21 40.600 40.600 41.344 -0.744 18788 6872 1 10 . 1 1 21 21 ASP H H 21 7.640 7.640 7.913 -0.273 18788 6873 1 10 . 1 1 22 22 THR N N 22 113.200 113.200 115.318 -2.118 18788 6874 1 10 . 1 1 22 22 THR HA H 22 5.700 5.700 5.437 0.263 18788 6875 1 10 . 1 1 22 22 THR C C 22 174.000 174.000 173.284 0.716 18788 6876 1 10 . 1 1 22 22 THR CA C 22 61.000 61.000 61.979 -0.979 18788 6877 1 10 . 1 1 22 22 THR CB C 22 71.800 71.800 71.292 0.508 18788 6878 1 10 . 1 1 22 22 THR H H 22 7.610 7.610 7.397 0.213 18788 6879 1 10 . 1 1 23 23 VAL N N 23 118.000 118.000 121.263 -3.263 18788 6880 1 10 . 1 1 23 23 VAL HA H 23 4.620 4.620 4.747 -0.127 18788 6881 1 10 . 1 1 23 23 VAL C C 23 172.100 172.100 173.362 -1.262 18788 6882 1 10 . 1 1 23 23 VAL CA C 23 60.100 60.100 59.826 0.274 18788 6883 1 10 . 1 1 23 23 VAL CB C 23 36.200 36.200 35.591 0.609 18788 6884 1 10 . 1 1 23 23 VAL H H 23 8.910 8.910 9.062 -0.151 18788 6885 1 10 . 1 1 24 24 LYS N N 24 127.000 127.000 123.681 3.319 18788 6886 1 10 . 1 1 24 24 LYS HA H 24 5.440 5.440 5.164 0.276 18788 6887 1 10 . 1 1 24 24 LYS C C 24 175.200 175.200 174.965 0.235 18788 6888 1 10 . 1 1 24 24 LYS CA C 24 55.600 55.600 54.925 0.675 18788 6889 1 10 . 1 1 24 24 LYS CB C 24 34.400 34.400 34.325 0.075 18788 6890 1 10 . 1 1 24 24 LYS H H 24 9.470 9.470 9.066 0.404 18788 6891 1 10 . 1 1 25 25 LEU N N 25 127.000 127.000 123.026 3.974 18788 6892 1 10 . 1 1 25 25 LEU HA H 25 5.210 5.210 4.952 0.258 18788 6893 1 10 . 1 1 25 25 LEU C C 25 174.500 174.500 174.780 -0.280 18788 6894 1 10 . 1 1 25 25 LEU CA C 25 53.100 53.100 52.892 0.208 18788 6895 1 10 . 1 1 25 25 LEU CB C 25 45.500 45.500 45.024 0.476 18788 6896 1 10 . 1 1 25 25 LEU H H 25 9.380 9.380 9.287 0.093 18788 6897 1 10 . 1 1 26 26 MET N N 26 122.000 122.000 120.126 1.874 18788 6898 1 10 . 1 1 26 26 MET HA H 26 4.880 4.880 5.105 -0.225 18788 6899 1 10 . 1 1 26 26 MET C C 26 175.100 175.100 174.376 0.724 18788 6900 1 10 . 1 1 26 26 MET CA C 26 54.700 54.700 54.898 -0.198 18788 6901 1 10 . 1 1 26 26 MET CB C 26 31.400 31.400 33.965 -2.565 18788 6902 1 10 . 1 1 26 26 MET H H 26 9.530 9.530 9.088 0.442 18788 6903 1 10 . 1 1 27 27 TYR N N 27 129.600 129.600 129.245 0.355 18788 6904 1 10 . 1 1 27 27 TYR HA H 27 5.050 5.050 4.879 0.171 18788 6905 1 10 . 1 1 27 27 TYR C C 27 173.900 173.900 174.808 -0.908 18788 6906 1 10 . 1 1 27 27 TYR CA C 27 57.000 57.000 56.289 0.711 18788 6907 1 10 . 1 1 27 27 TYR CB C 27 41.700 41.700 39.767 1.933 18788 6908 1 10 . 1 1 27 27 TYR H H 27 9.040 9.040 9.518 -0.478 18788 6909 1 10 . 1 1 28 28 LYS N N 28 127.600 127.600 127.776 -0.176 18788 6910 1 10 . 1 1 28 28 LYS HA H 28 3.590 3.590 3.731 -0.141 18788 6911 1 10 . 1 1 28 28 LYS C C 28 176.900 176.900 176.127 0.773 18788 6912 1 10 . 1 1 28 28 LYS CA C 28 57.100 57.100 56.896 0.204 18788 6913 1 10 . 1 1 28 28 LYS CB C 28 29.700 29.700 30.318 -0.618 18788 6914 1 10 . 1 1 28 28 LYS H H 28 9.310 9.310 9.165 0.145 18788 6915 1 10 . 1 1 29 29 GLY N N 29 102.400 102.400 103.520 -1.120 18788 6916 1 10 . 1 1 29 29 GLY C C 29 173.600 173.600 173.585 0.015 18788 6917 1 10 . 1 1 29 29 GLY CA C 29 45.600 45.600 45.039 0.561 18788 6918 1 10 . 1 1 29 29 GLY H H 29 8.450 8.450 8.289 0.161 18788 6919 1 10 . 1 1 30 30 GLN N N 30 119.300 119.300 119.459 -0.159 18788 6920 1 10 . 1 1 30 30 GLN HA H 30 5.030 5.030 4.923 0.107 18788 6921 1 10 . 1 1 30 30 GLN C C 30 173.200 173.200 173.280 -0.080 18788 6922 1 10 . 1 1 30 30 GLN CA C 30 52.200 52.200 52.121 0.079 18788 6923 1 10 . 1 1 30 30 GLN CB C 30 31.200 31.200 29.725 1.475 18788 6924 1 10 . 1 1 30 30 GLN H H 30 7.820 7.820 7.944 -0.124 18788 6925 1 10 . 1 1 31 31 PRO HA H 31 4.880 4.880 4.942 -0.062 18788 6926 1 10 . 1 1 31 31 PRO C C 31 177.400 177.400 175.778 1.622 18788 6927 1 10 . 1 1 31 31 PRO CA C 31 62.600 62.600 62.950 -0.350 18788 6928 1 10 . 1 1 31 31 PRO CB C 31 31.900 31.900 31.767 0.133 18788 6929 1 10 . 1 1 32 32 MET N N 32 125.700 125.700 126.044 -0.344 18788 6930 1 10 . 1 1 32 32 MET HA H 32 4.670 4.670 4.948 -0.278 18788 6931 1 10 . 1 1 32 32 MET C C 32 174.600 174.600 174.295 0.305 18788 6932 1 10 . 1 1 32 32 MET CA C 32 55.800 55.800 54.909 0.891 18788 6933 1 10 . 1 1 32 32 MET CB C 32 37.200 37.200 37.540 -0.340 18788 6934 1 10 . 1 1 32 32 MET H H 32 9.570 9.570 9.333 0.237 18788 6935 1 10 . 1 1 33 33 THR N N 33 123.600 123.600 122.617 0.983 18788 6936 1 10 . 1 1 33 33 THR HA H 33 4.510 4.510 5.131 -0.621 18788 6937 1 10 . 1 1 33 33 THR C C 33 173.100 173.100 174.012 -0.912 18788 6938 1 10 . 1 1 33 33 THR CA C 33 64.300 64.300 62.679 1.621 18788 6939 1 10 . 1 1 33 33 THR CB C 33 68.800 68.800 69.240 -0.440 18788 6940 1 10 . 1 1 33 33 THR H H 33 8.990 8.990 8.618 0.372 18788 6941 1 10 . 1 1 34 34 PHE N N 34 126.100 126.100 126.990 -0.890 18788 6942 1 10 . 1 1 34 34 PHE HA H 34 4.890 4.890 5.283 -0.393 18788 6943 1 10 . 1 1 34 34 PHE C C 34 173.400 173.400 174.339 -0.939 18788 6944 1 10 . 1 1 34 34 PHE CA C 34 57.300 57.300 56.827 0.473 18788 6945 1 10 . 1 1 34 34 PHE CB C 34 41.900 41.900 42.980 -1.080 18788 6946 1 10 . 1 1 34 34 PHE H H 34 9.610 9.610 9.595 0.015 18788 6947 1 10 . 1 1 35 35 ARG N N 35 124.200 124.200 120.612 3.588 18788 6948 1 10 . 1 1 35 35 ARG HA H 35 5.080 5.080 5.404 -0.324 18788 6949 1 10 . 1 1 35 35 ARG C C 35 174.600 174.600 176.163 -1.563 18788 6950 1 10 . 1 1 35 35 ARG CA C 35 52.100 52.100 54.033 -1.933 18788 6951 1 10 . 1 1 35 35 ARG CB C 35 33.600 33.600 34.474 -0.874 18788 6952 1 10 . 1 1 35 35 ARG H H 35 9.640 9.640 9.168 0.472 18788 6953 1 10 . 1 1 38 38 LEU HA H 38 4.330 4.330 4.172 0.158 18788 6954 1 10 . 1 1 38 38 LEU C C 38 175.200 175.200 176.623 -1.423 18788 6955 1 10 . 1 1 38 38 LEU CA C 38 56.600 56.600 56.761 -0.161 18788 6956 1 10 . 1 1 38 38 LEU CB C 38 40.100 40.100 42.081 -1.981 18788 6957 1 10 . 1 1 39 39 VAL N N 39 104.500 104.500 109.522 -5.022 18788 6958 1 10 . 1 1 39 39 VAL HA H 39 5.580 5.580 5.061 0.519 18788 6959 1 10 . 1 1 39 39 VAL C C 39 175.600 175.600 174.451 1.149 18788 6960 1 10 . 1 1 39 39 VAL CA C 39 57.800 57.800 58.869 -1.069 18788 6961 1 10 . 1 1 39 39 VAL CB C 39 36.400 36.400 35.854 0.546 18788 6962 1 10 . 1 1 39 39 VAL H H 39 6.920 6.920 7.273 -0.353 18788 6963 1 10 . 1 1 40 40 ASP N N 40 121.500 121.500 122.930 -1.430 18788 6964 1 10 . 1 1 40 40 ASP HA H 40 5.260 5.260 5.196 0.065 18788 6965 1 10 . 1 1 40 40 ASP C C 40 174.600 174.600 175.797 -1.197 18788 6966 1 10 . 1 1 40 40 ASP CA C 40 54.100 54.100 53.185 0.915 18788 6967 1 10 . 1 1 40 40 ASP CB C 40 44.100 44.100 44.263 -0.163 18788 6968 1 10 . 1 1 40 40 ASP H H 40 8.880 8.880 9.168 -0.288 18788 6969 1 10 . 1 1 41 41 THR N N 41 118.700 118.700 117.872 0.828 18788 6970 1 10 . 1 1 41 41 THR HA H 41 5.020 5.020 4.862 0.158 18788 6971 1 10 . 1 1 41 41 THR CA C 41 58.300 58.300 59.859 -1.559 18788 6972 1 10 . 1 1 41 41 THR CB C 41 68.900 68.900 68.534 0.366 18788 6973 1 10 . 1 1 41 41 THR H H 41 8.520 8.520 9.808 -1.288 18788 6974 1 10 . 1 1 42 42 PRO HA H 42 4.440 4.440 4.082 0.358 18788 6975 1 10 . 1 1 42 42 PRO CA C 42 62.200 62.200 64.349 -2.149 18788 6976 1 10 . 1 1 42 42 PRO CB C 42 32.300 32.300 30.947 1.353 18788 6977 1 10 . 1 1 50 50 GLY C C 50 179.800 179.800 174.508 5.292 18788 6978 1 10 . 1 1 51 51 VAL N N 51 119.200 119.200 121.585 -2.385 18788 6979 1 10 . 1 1 51 51 VAL HA H 51 4.160 4.160 3.818 0.342 18788 6980 1 10 . 1 1 51 51 VAL C C 51 178.600 178.600 176.710 1.890 18788 6981 1 10 . 1 1 51 51 VAL CA C 51 63.500 63.500 64.325 -0.825 18788 6982 1 10 . 1 1 51 51 VAL H H 51 7.820 7.820 7.721 0.099 18788 6983 1 10 . 1 1 54 54 TYR C C 54 176.300 176.300 176.641 -0.341 18788 6984 1 10 . 1 1 55 55 GLY N N 55 108.900 108.900 106.624 2.276 18788 6985 1 10 . 1 1 55 55 GLY C C 55 174.300 174.300 172.640 1.660 18788 6986 1 10 . 1 1 55 55 GLY CA C 55 48.400 48.400 44.289 4.111 18788 6987 1 10 . 1 1 55 55 GLY H H 55 8.810 8.810 8.054 0.756 18788 6988 1 10 . 1 1 57 57 GLU HA H 57 4.010 4.010 4.139 -0.129 18788 6989 1 10 . 1 1 57 57 GLU C C 57 179.500 179.500 178.143 1.357 18788 6990 1 10 . 1 1 57 57 GLU CA C 57 61.700 61.700 56.900 4.800 18788 6991 1 10 . 1 1 58 58 ALA N N 58 125.000 125.000 123.340 1.660 18788 6992 1 10 . 1 1 58 58 ALA HA H 58 4.170 4.170 4.141 0.029 18788 6993 1 10 . 1 1 58 58 ALA C C 58 178.700 178.700 179.262 -0.562 18788 6994 1 10 . 1 1 58 58 ALA CA C 58 55.800 55.800 54.929 0.871 18788 6995 1 10 . 1 1 58 58 ALA CB C 58 18.200 18.200 18.048 0.152 18788 6996 1 10 . 1 1 58 58 ALA H H 58 8.940 8.940 8.264 0.676 18788 6997 1 10 . 1 1 59 59 SER N N 59 111.900 111.900 115.279 -3.379 18788 6998 1 10 . 1 1 59 59 SER HA H 59 3.740 3.740 4.227 -0.487 18788 6999 1 10 . 1 1 59 59 SER C C 59 177.100 177.100 176.529 0.571 18788 7000 1 10 . 1 1 59 59 SER CA C 59 62.000 62.000 61.436 0.564 18788 7001 1 10 . 1 1 59 59 SER CB C 59 62.900 62.900 62.856 0.044 18788 7002 1 10 . 1 1 59 59 SER H H 59 8.340 8.340 8.010 0.330 18788 7003 1 10 . 1 1 60 60 ALA N N 60 122.900 122.900 123.671 -0.771 18788 7004 1 10 . 1 1 60 60 ALA HA H 60 4.070 4.070 4.218 -0.148 18788 7005 1 10 . 1 1 60 60 ALA C C 60 179.100 179.100 179.447 -0.347 18788 7006 1 10 . 1 1 60 60 ALA CA C 60 55.100 55.100 54.526 0.574 18788 7007 1 10 . 1 1 60 60 ALA CB C 60 18.200 18.200 18.351 -0.151 18788 7008 1 10 . 1 1 60 60 ALA H H 60 8.440 8.440 8.180 0.260 18788 7009 1 10 . 1 1 61 61 PHE N N 61 121.700 121.700 119.853 1.847 18788 7010 1 10 . 1 1 61 61 PHE HA H 61 4.050 4.050 4.249 -0.199 18788 7011 1 10 . 1 1 61 61 PHE C C 61 178.100 178.100 177.250 0.850 18788 7012 1 10 . 1 1 61 61 PHE CA C 61 61.800 61.800 61.141 0.659 18788 7013 1 10 . 1 1 61 61 PHE CB C 61 39.800 39.800 39.266 0.534 18788 7014 1 10 . 1 1 61 61 PHE H H 61 8.190 8.190 8.239 -0.049 18788 7015 1 10 . 1 1 62 62 THR N N 62 120.200 120.200 116.246 3.954 18788 7016 1 10 . 1 1 62 62 THR HA H 62 3.560 3.560 3.755 -0.195 18788 7017 1 10 . 1 1 62 62 THR C C 62 175.300 175.300 176.463 -1.163 18788 7018 1 10 . 1 1 62 62 THR CA C 62 67.600 67.600 66.978 0.622 18788 7019 1 10 . 1 1 62 62 THR CB C 62 68.400 68.400 68.325 0.075 18788 7020 1 10 . 1 1 62 62 THR H H 62 8.540 8.540 8.771 -0.231 18788 7021 1 10 . 1 1 63 63 LYS N N 63 120.000 120.000 121.595 -1.595 18788 7022 1 10 . 1 1 63 63 LYS HA H 63 3.560 3.560 3.858 -0.298 18788 7023 1 10 . 1 1 63 63 LYS C C 63 176.800 176.800 178.555 -1.755 18788 7024 1 10 . 1 1 63 63 LYS CA C 63 60.400 60.400 59.802 0.598 18788 7025 1 10 . 1 1 63 63 LYS CB C 63 33.300 33.300 32.480 0.820 18788 7026 1 10 . 1 1 63 63 LYS H H 63 7.910 7.910 7.980 -0.070 18788 7027 1 10 . 1 1 64 64 LYS N N 64 117.200 117.200 119.048 -1.848 18788 7028 1 10 . 1 1 64 64 LYS HA H 64 3.940 3.940 4.028 -0.088 18788 7029 1 10 . 1 1 64 64 LYS C C 64 178.700 178.700 179.152 -0.452 18788 7030 1 10 . 1 1 64 64 LYS CA C 64 59.200 59.200 58.941 0.259 18788 7031 1 10 . 1 1 64 64 LYS CB C 64 31.900 31.900 32.137 -0.237 18788 7032 1 10 . 1 1 64 64 LYS H H 64 8.000 8.000 7.955 0.045 18788 7033 1 10 . 1 1 65 65 MET N N 65 116.200 116.200 116.591 -0.391 18788 7034 1 10 . 1 1 65 65 MET HA H 65 3.890 3.890 4.144 -0.254 18788 7035 1 10 . 1 1 65 65 MET C C 65 179.200 179.200 178.236 0.964 18788 7036 1 10 . 1 1 65 65 MET CA C 65 59.800 59.800 58.569 1.231 18788 7037 1 10 . 1 1 65 65 MET CB C 65 32.200 32.200 32.636 -0.436 18788 7038 1 10 . 1 1 65 65 MET H H 65 7.680 7.680 7.603 0.077 18788 7039 1 10 . 1 1 66 66 VAL N N 66 107.700 107.700 114.594 -6.894 18788 7040 1 10 . 1 1 66 66 VAL HA H 66 4.150 4.150 3.958 0.192 18788 7041 1 10 . 1 1 66 66 VAL C C 66 177.500 177.500 177.950 -0.450 18788 7042 1 10 . 1 1 66 66 VAL CA C 66 64.300 64.300 64.901 -0.601 18788 7043 1 10 . 1 1 66 66 VAL CB C 66 31.100 31.100 31.562 -0.462 18788 7044 1 10 . 1 1 66 66 VAL H H 66 8.220 8.220 7.820 0.400 18788 7045 1 10 . 1 1 67 67 GLU N N 67 121.000 121.000 118.531 2.469 18788 7046 1 10 . 1 1 67 67 GLU HA H 67 3.960 3.960 4.122 -0.162 18788 7047 1 10 . 1 1 67 67 GLU C C 67 178.000 178.000 177.585 0.415 18788 7048 1 10 . 1 1 67 67 GLU CA C 67 59.200 59.200 58.931 0.269 18788 7049 1 10 . 1 1 67 67 GLU CB C 67 29.100 29.100 29.713 -0.613 18788 7050 1 10 . 1 1 67 67 GLU H H 67 8.750 8.750 8.169 0.581 18788 7051 1 10 . 1 1 68 68 ASN N N 68 113.400 113.400 115.231 -1.831 18788 7052 1 10 . 1 1 68 68 ASN HA H 68 4.660 4.660 4.738 -0.078 18788 7053 1 10 . 1 1 68 68 ASN C C 68 174.600 174.600 174.323 0.277 18788 7054 1 10 . 1 1 68 68 ASN CA C 68 53.400 53.400 53.651 -0.251 18788 7055 1 10 . 1 1 68 68 ASN CB C 68 38.900 38.900 39.460 -0.560 18788 7056 1 10 . 1 1 68 68 ASN H H 68 7.400 7.400 7.689 -0.289 18788 7057 1 10 . 1 1 69 69 ALA N N 69 121.100 121.100 122.330 -1.230 18788 7058 1 10 . 1 1 69 69 ALA HA H 69 4.490 4.490 4.277 0.213 18788 7059 1 10 . 1 1 69 69 ALA C C 69 177.800 177.800 177.274 0.526 18788 7060 1 10 . 1 1 69 69 ALA CA C 69 51.400 51.400 51.993 -0.593 18788 7061 1 10 . 1 1 69 69 ALA CB C 69 19.200 19.200 19.653 -0.453 18788 7062 1 10 . 1 1 69 69 ALA H H 69 6.680 6.680 6.989 -0.309 18788 7063 1 10 . 1 1 70 70 LYS N N 70 125.700 125.700 121.412 4.288 18788 7064 1 10 . 1 1 70 70 LYS HA H 70 4.370 4.370 4.258 0.112 18788 7065 1 10 . 1 1 70 70 LYS C C 70 177.800 177.800 177.343 0.457 18788 7066 1 10 . 1 1 70 70 LYS CA C 70 57.800 57.800 57.207 0.593 18788 7067 1 10 . 1 1 70 70 LYS CB C 70 32.000 32.000 33.054 -1.054 18788 7068 1 10 . 1 1 70 70 LYS H H 70 10.130 10.130 8.534 1.596 18788 7069 1 10 . 1 1 71 71 LYS N N 71 121.300 121.300 118.175 3.125 18788 7070 1 10 . 1 1 71 71 LYS HA H 71 4.660 4.660 4.572 0.088 18788 7071 1 10 . 1 1 71 71 LYS C C 71 174.600 174.600 174.605 -0.005 18788 7072 1 10 . 1 1 71 71 LYS CA C 71 55.500 55.500 55.653 -0.153 18788 7073 1 10 . 1 1 71 71 LYS CB C 71 35.400 35.400 34.559 0.841 18788 7074 1 10 . 1 1 71 71 LYS H H 71 8.920 8.920 7.380 1.540 18788 7075 1 10 . 1 1 72 72 ILE N N 72 128.900 128.900 125.018 3.882 18788 7076 1 10 . 1 1 72 72 ILE HA H 72 5.240 5.240 5.169 0.071 18788 7077 1 10 . 1 1 72 72 ILE C C 72 175.300 175.300 174.999 0.301 18788 7078 1 10 . 1 1 72 72 ILE CA C 72 58.700 58.700 60.062 -1.362 18788 7079 1 10 . 1 1 72 72 ILE CB C 72 38.100 38.100 40.108 -2.008 18788 7080 1 10 . 1 1 72 72 ILE H H 72 8.960 8.960 8.303 0.657 18788 7081 1 10 . 1 1 73 73 GLU N N 73 123.100 123.100 126.539 -3.439 18788 7082 1 10 . 1 1 73 73 GLU HA H 73 5.240 5.240 5.198 0.042 18788 7083 1 10 . 1 1 73 73 GLU C C 73 174.900 174.900 175.489 -0.589 18788 7084 1 10 . 1 1 73 73 GLU CA C 73 53.600 53.600 54.434 -0.834 18788 7085 1 10 . 1 1 73 73 GLU CB C 73 36.200 36.200 33.590 2.610 18788 7086 1 10 . 1 1 73 73 GLU H H 73 8.810 8.810 9.167 -0.357 18788 7087 1 10 . 1 1 74 74 VAL N N 74 117.300 117.300 118.256 -0.956 18788 7088 1 10 . 1 1 74 74 VAL HA H 74 4.550 4.550 4.706 -0.156 18788 7089 1 10 . 1 1 74 74 VAL C C 74 174.000 174.000 174.327 -0.327 18788 7090 1 10 . 1 1 74 74 VAL CA C 74 59.500 59.500 59.685 -0.185 18788 7091 1 10 . 1 1 74 74 VAL CB C 74 34.200 34.200 32.749 1.451 18788 7092 1 10 . 1 1 74 74 VAL H H 74 9.510 9.510 9.133 0.377 18788 7093 1 10 . 1 1 75 75 GLU N N 75 126.900 126.900 128.415 -1.515 18788 7094 1 10 . 1 1 75 75 GLU HA H 75 5.160 5.160 5.097 0.063 18788 7095 1 10 . 1 1 75 75 GLU C C 75 175.600 175.600 175.827 -0.227 18788 7096 1 10 . 1 1 75 75 GLU CA C 75 54.500 54.500 53.999 0.501 18788 7097 1 10 . 1 1 75 75 GLU CB C 75 35.900 35.900 32.073 3.827 18788 7098 1 10 . 1 1 75 75 GLU H H 75 8.860 8.860 9.122 -0.262 18788 7099 1 10 . 1 1 76 76 PHE N N 76 126.400 126.400 127.514 -1.114 18788 7100 1 10 . 1 1 76 76 PHE HA H 76 4.740 4.740 4.916 -0.176 18788 7101 1 10 . 1 1 76 76 PHE C C 76 175.600 175.600 176.148 -0.548 18788 7102 1 10 . 1 1 76 76 PHE CA C 76 59.500 59.500 59.231 0.269 18788 7103 1 10 . 1 1 76 76 PHE CB C 76 39.700 39.700 39.775 -0.075 18788 7104 1 10 . 1 1 76 76 PHE H H 76 8.770 8.770 8.489 0.281 18788 7105 1 10 . 1 1 77 77 ASP N N 77 123.000 123.000 122.854 0.146 18788 7106 1 10 . 1 1 77 77 ASP HA H 77 5.310 5.310 4.935 0.375 18788 7107 1 10 . 1 1 77 77 ASP C C 77 177.600 177.600 176.766 0.834 18788 7108 1 10 . 1 1 77 77 ASP CA C 77 51.800 51.800 54.311 -2.511 18788 7109 1 10 . 1 1 77 77 ASP CB C 77 42.900 42.900 43.660 -0.760 18788 7110 1 10 . 1 1 77 77 ASP H H 77 9.310 9.310 8.733 0.577 18788 7111 1 10 . 1 1 78 78 LYS N N 78 119.100 119.100 118.585 0.515 18788 7112 1 10 . 1 1 78 78 LYS HA H 78 4.240 4.240 4.448 -0.208 18788 7113 1 10 . 1 1 78 78 LYS C C 78 177.100 177.100 177.105 -0.005 18788 7114 1 10 . 1 1 78 78 LYS CA C 78 57.700 57.700 57.608 0.092 18788 7115 1 10 . 1 1 78 78 LYS CB C 78 33.400 33.400 32.518 0.882 18788 7116 1 10 . 1 1 78 78 LYS H H 78 10.360 10.360 8.569 1.791 18788 7117 1 10 . 1 1 79 79 GLY N N 79 111.100 111.100 109.233 1.867 18788 7118 1 10 . 1 1 79 79 GLY C C 79 173.600 173.600 174.088 -0.488 18788 7119 1 10 . 1 1 79 79 GLY CA C 79 44.500 44.500 44.627 -0.127 18788 7120 1 10 . 1 1 79 79 GLY H H 79 8.680 8.680 7.758 0.922 18788 7121 1 10 . 1 1 80 80 GLN N N 80 124.800 124.800 119.756 5.044 18788 7122 1 10 . 1 1 80 80 GLN HA H 80 4.140 4.140 4.330 -0.190 18788 7123 1 10 . 1 1 80 80 GLN C C 80 176.900 176.900 175.528 1.372 18788 7124 1 10 . 1 1 80 80 GLN CA C 80 57.200 57.200 56.219 0.981 18788 7125 1 10 . 1 1 80 80 GLN CB C 80 29.200 29.200 29.897 -0.697 18788 7126 1 10 . 1 1 80 80 GLN H H 80 8.800 8.800 8.479 0.321 18788 7127 1 10 . 1 1 81 81 ARG N N 81 120.700 120.700 118.935 1.765 18788 7128 1 10 . 1 1 81 81 ARG HA H 81 4.620 4.620 4.485 0.135 18788 7129 1 10 . 1 1 81 81 ARG C C 81 176.200 176.200 175.137 1.063 18788 7130 1 10 . 1 1 81 81 ARG CA C 81 57.500 57.500 57.264 0.236 18788 7131 1 10 . 1 1 81 81 ARG CB C 81 32.000 32.000 32.059 -0.059 18788 7132 1 10 . 1 1 81 81 ARG H H 81 8.640 8.640 8.685 -0.045 18788 7133 1 10 . 1 1 82 82 THR N N 82 107.900 107.900 109.329 -1.429 18788 7134 1 10 . 1 1 82 82 THR HA H 82 5.540 5.540 5.080 0.460 18788 7135 1 10 . 1 1 82 82 THR C C 82 174.600 174.600 173.743 0.857 18788 7136 1 10 . 1 1 82 82 THR CA C 82 58.400 58.400 60.175 -1.774 18788 7137 1 10 . 1 1 82 82 THR CB C 82 72.500 72.500 71.506 0.994 18788 7138 1 10 . 1 1 82 82 THR H H 82 7.300 7.300 7.451 -0.151 18788 7139 1 10 . 1 1 83 83 ASP N N 83 121.300 121.300 121.597 -0.297 18788 7140 1 10 . 1 1 83 83 ASP HA H 83 4.660 4.660 4.673 -0.013 18788 7141 1 10 . 1 1 83 83 ASP C C 83 179.000 179.000 178.401 0.599 18788 7142 1 10 . 1 1 83 83 ASP CA C 83 51.700 51.700 53.349 -1.649 18788 7143 1 10 . 1 1 83 83 ASP CB C 83 42.100 42.100 43.274 -1.174 18788 7144 1 10 . 1 1 83 83 ASP H H 83 8.590 8.590 8.824 -0.234 18788 7145 1 10 . 1 1 85 85 TYR N N 85 119.300 119.300 118.154 1.146 18788 7146 1 10 . 1 1 85 85 TYR HA H 85 4.600 4.600 4.301 0.299 18788 7147 1 10 . 1 1 85 85 TYR C C 85 176.100 176.100 175.818 0.282 18788 7148 1 10 . 1 1 85 85 TYR CA C 85 57.100 57.100 59.616 -2.516 18788 7149 1 10 . 1 1 85 85 TYR CB C 85 37.900 37.900 38.550 -0.650 18788 7150 1 10 . 1 1 85 85 TYR H H 85 7.650 7.650 8.434 -0.784 18788 7151 1 10 . 1 1 86 86 GLY N N 86 108.500 108.500 103.806 4.694 18788 7152 1 10 . 1 1 86 86 GLY C C 86 174.400 174.400 174.282 0.118 18788 7153 1 10 . 1 1 86 86 GLY CA C 86 45.400 45.400 44.816 0.584 18788 7154 1 10 . 1 1 86 86 GLY H H 86 8.120 8.120 7.885 0.235 18788 7155 1 10 . 1 1 87 87 ARG N N 87 121.600 121.600 121.198 0.402 18788 7156 1 10 . 1 1 87 87 ARG HA H 87 4.430 4.430 4.496 -0.066 18788 7157 1 10 . 1 1 87 87 ARG C C 87 177.000 177.000 177.080 -0.080 18788 7158 1 10 . 1 1 87 87 ARG CA C 87 55.300 55.300 55.142 0.158 18788 7159 1 10 . 1 1 87 87 ARG CB C 87 30.000 30.000 30.068 -0.068 18788 7160 1 10 . 1 1 87 87 ARG H H 87 8.600 8.600 7.711 0.889 18788 7161 1 10 . 1 1 88 88 GLY N N 88 108.000 108.000 109.176 -1.176 18788 7162 1 10 . 1 1 88 88 GLY C C 88 171.800 171.800 172.397 -0.597 18788 7163 1 10 . 1 1 88 88 GLY CA C 88 44.800 44.800 44.100 0.700 18788 7164 1 10 . 1 1 88 88 GLY H H 88 8.780 8.780 8.209 0.571 18788 7165 1 10 . 1 1 89 89 LEU N N 89 125.100 125.100 126.108 -1.008 18788 7166 1 10 . 1 1 89 89 LEU HA H 89 5.190 5.190 5.429 -0.239 18788 7167 1 10 . 1 1 89 89 LEU C C 89 174.800 174.800 175.675 -0.875 18788 7168 1 10 . 1 1 89 89 LEU CA C 89 52.800 52.800 53.768 -0.968 18788 7169 1 10 . 1 1 89 89 LEU CB C 89 42.900 42.900 42.253 0.647 18788 7170 1 10 . 1 1 89 89 LEU H H 89 8.220 8.220 8.597 -0.377 18788 7171 1 10 . 1 1 90 90 ALA N N 90 119.900 119.900 125.367 -5.467 18788 7172 1 10 . 1 1 90 90 ALA HA H 90 4.790 4.790 4.736 0.054 18788 7173 1 10 . 1 1 90 90 ALA C C 90 177.000 177.000 174.896 2.104 18788 7174 1 10 . 1 1 90 90 ALA CA C 90 50.800 50.800 50.910 -0.110 18788 7175 1 10 . 1 1 90 90 ALA CB C 90 23.700 23.700 22.530 1.170 18788 7176 1 10 . 1 1 90 90 ALA H H 90 7.400 7.400 7.832 -0.432 18788 7177 1 10 . 1 1 91 91 TYR N N 91 122.400 122.400 118.643 3.757 18788 7178 1 10 . 1 1 91 91 TYR HA H 91 4.650 4.650 4.773 -0.123 18788 7179 1 10 . 1 1 91 91 TYR C C 91 174.600 174.600 174.884 -0.284 18788 7180 1 10 . 1 1 91 91 TYR CA C 91 57.200 57.200 57.609 -0.409 18788 7181 1 10 . 1 1 91 91 TYR CB C 91 37.600 37.600 39.076 -1.476 18788 7182 1 10 . 1 1 91 91 TYR H H 91 9.000 9.000 8.777 0.223 18788 7183 1 10 . 1 1 92 92 ILE N N 92 122.200 122.200 123.950 -1.750 18788 7184 1 10 . 1 1 92 92 ILE HA H 92 4.950 4.950 4.757 0.193 18788 7185 1 10 . 1 1 92 92 ILE C C 92 173.700 173.700 175.306 -1.606 18788 7186 1 10 . 1 1 92 92 ILE CA C 92 58.700 58.700 60.503 -1.803 18788 7187 1 10 . 1 1 92 92 ILE CB C 92 38.900 38.900 39.598 -0.698 18788 7188 1 10 . 1 1 92 92 ILE H H 92 7.830 7.830 9.178 -1.348 18788 7189 1 10 . 1 1 93 93 TYR N N 93 126.200 126.200 125.866 0.334 18788 7190 1 10 . 1 1 93 93 TYR HA H 93 5.080 5.080 5.215 -0.135 18788 7191 1 10 . 1 1 93 93 TYR C C 93 173.900 173.900 174.537 -0.637 18788 7192 1 10 . 1 1 93 93 TYR CA C 93 56.500 56.500 56.042 0.458 18788 7193 1 10 . 1 1 93 93 TYR CB C 93 41.500 41.500 40.953 0.547 18788 7194 1 10 . 1 1 93 93 TYR H H 93 9.540 9.540 9.305 0.235 18788 7195 1 10 . 1 1 94 94 ALA N N 94 125.700 125.700 126.856 -1.156 18788 7196 1 10 . 1 1 94 94 ALA HA H 94 4.960 4.960 4.606 0.354 18788 7197 1 10 . 1 1 94 94 ALA C C 94 175.700 175.700 177.205 -1.505 18788 7198 1 10 . 1 1 94 94 ALA CA C 94 49.700 49.700 50.325 -0.625 18788 7199 1 10 . 1 1 94 94 ALA CB C 94 20.900 20.900 19.395 1.505 18788 7200 1 10 . 1 1 94 94 ALA H H 94 9.230 9.230 9.133 0.097 18788 7201 1 10 . 1 1 95 95 ASP N N 95 127.600 127.600 125.266 2.334 18788 7202 1 10 . 1 1 95 95 ASP HA H 95 4.430 4.430 4.305 0.125 18788 7203 1 10 . 1 1 95 95 ASP C C 95 176.100 176.100 176.109 -0.009 18788 7204 1 10 . 1 1 95 95 ASP CA C 95 56.500 56.500 55.405 1.095 18788 7205 1 10 . 1 1 95 95 ASP CB C 95 39.500 39.500 40.239 -0.739 18788 7206 1 10 . 1 1 95 95 ASP H H 95 9.720 9.720 9.366 0.354 18788 7207 1 10 . 1 1 96 96 GLY N N 96 103.000 103.000 102.940 0.060 18788 7208 1 10 . 1 1 96 96 GLY C C 96 173.800 173.800 174.477 -0.677 18788 7209 1 10 . 1 1 96 96 GLY CA C 96 45.400 45.400 45.240 0.160 18788 7210 1 10 . 1 1 96 96 GLY H H 96 9.420 9.420 8.379 1.041 18788 7211 1 10 . 1 1 97 97 LYS N N 97 121.400 121.400 122.346 -0.946 18788 7212 1 10 . 1 1 97 97 LYS HA H 97 4.670 4.670 4.412 0.258 18788 7213 1 10 . 1 1 97 97 LYS C C 97 176.000 176.000 175.662 0.338 18788 7214 1 10 . 1 1 97 97 LYS CA C 97 54.200 54.200 55.468 -1.268 18788 7215 1 10 . 1 1 97 97 LYS CB C 97 33.100 33.100 33.221 -0.121 18788 7216 1 10 . 1 1 97 97 LYS H H 97 7.870 7.870 7.895 -0.025 18788 7217 1 10 . 1 1 98 98 MET N N 98 127.000 127.000 126.585 0.415 18788 7218 1 10 . 1 1 98 98 MET HA H 98 3.780 3.780 4.002 -0.222 18788 7219 1 10 . 1 1 98 98 MET C C 98 177.700 177.700 176.807 0.893 18788 7220 1 10 . 1 1 98 98 MET CA C 98 56.100 56.100 55.914 0.186 18788 7221 1 10 . 1 1 98 98 MET CB C 98 34.700 34.700 32.227 2.473 18788 7222 1 10 . 1 1 98 98 MET H H 98 9.280 9.280 8.894 0.386 18788 7223 1 10 . 1 1 99 99 VAL N N 99 103.700 103.700 128.584 -24.884 18788 7224 1 10 . 1 1 99 99 VAL HA H 99 3.730 3.730 3.528 0.202 18788 7225 1 10 . 1 1 99 99 VAL C C 99 177.200 177.200 177.756 -0.556 18788 7226 1 10 . 1 1 99 99 VAL CA C 99 66.100 66.100 66.582 -0.482 18788 7227 1 10 . 1 1 99 99 VAL CB C 99 32.400 32.400 31.535 0.865 18788 7228 1 10 . 1 1 99 99 VAL H H 99 10.190 10.190 8.713 1.477 18788 7229 1 10 . 1 1 100 100 ASN N N 100 108.600 108.600 116.952 -8.352 18788 7230 1 10 . 1 1 100 100 ASN HA H 100 4.080 4.080 4.301 -0.221 18788 7231 1 10 . 1 1 100 100 ASN C C 100 174.200 174.200 177.235 -3.035 18788 7232 1 10 . 1 1 100 100 ASN CA C 100 57.200 57.200 56.693 0.507 18788 7233 1 10 . 1 1 100 100 ASN CB C 100 34.700 34.700 37.850 -3.150 18788 7234 1 10 . 1 1 100 100 ASN H H 100 9.670 9.670 7.812 1.858 18788 7235 1 10 . 1 1 101 101 GLU N N 101 112.800 112.800 120.537 -7.737 18788 7236 1 10 . 1 1 101 101 GLU HA H 101 3.660 3.660 3.980 -0.320 18788 7237 1 10 . 1 1 101 101 GLU C C 101 176.100 176.100 178.235 -2.135 18788 7238 1 10 . 1 1 101 101 GLU CA C 101 59.800 59.800 59.444 0.356 18788 7239 1 10 . 1 1 101 101 GLU CB C 101 30.200 30.200 29.535 0.665 18788 7240 1 10 . 1 1 101 101 GLU H H 101 6.150 6.150 7.513 -1.363 18788 7241 1 10 . 1 1 102 102 ALA N N 102 122.600 122.600 123.047 -0.447 18788 7242 1 10 . 1 1 102 102 ALA HA H 102 4.070 4.070 4.119 -0.049 18788 7243 1 10 . 1 1 102 102 ALA C C 102 179.800 179.800 180.106 -0.306 18788 7244 1 10 . 1 1 102 102 ALA CA C 102 55.300 55.300 55.365 -0.065 18788 7245 1 10 . 1 1 102 102 ALA CB C 102 17.900 17.900 18.288 -0.388 18788 7246 1 10 . 1 1 102 102 ALA H H 102 7.810 7.810 8.185 -0.375 18788 7247 1 10 . 1 1 103 103 LEU N N 103 116.100 116.100 118.469 -2.369 18788 7248 1 10 . 1 1 103 103 LEU HA H 103 3.280 3.280 4.021 -0.741 18788 7249 1 10 . 1 1 103 103 LEU C C 103 178.900 178.900 179.089 -0.189 18788 7250 1 10 . 1 1 103 103 LEU CA C 103 57.800 57.800 58.175 -0.376 18788 7251 1 10 . 1 1 103 103 LEU CB C 103 45.500 45.500 41.693 3.807 18788 7252 1 10 . 1 1 103 103 LEU H H 103 8.070 8.070 8.632 -0.562 18788 7253 1 10 . 1 1 104 104 VAL N N 104 116.600 116.600 118.831 -2.231 18788 7254 1 10 . 1 1 104 104 VAL HA H 104 3.870 3.870 4.005 -0.135 18788 7255 1 10 . 1 1 104 104 VAL C C 104 180.300 180.300 179.512 0.788 18788 7256 1 10 . 1 1 104 104 VAL CA C 104 65.000 65.000 65.810 -0.810 18788 7257 1 10 . 1 1 104 104 VAL CB C 104 32.000 32.000 31.693 0.307 18788 7258 1 10 . 1 1 104 104 VAL H H 104 6.890 6.890 7.578 -0.688 18788 7259 1 10 . 1 1 105 105 ARG N N 105 122.400 122.400 120.137 2.263 18788 7260 1 10 . 1 1 105 105 ARG HA H 105 4.130 4.130 4.070 0.060 18788 7261 1 10 . 1 1 105 105 ARG C C 105 176.000 176.000 177.903 -1.903 18788 7262 1 10 . 1 1 105 105 ARG CA C 105 57.000 57.000 58.743 -1.744 18788 7263 1 10 . 1 1 105 105 ARG CB C 105 28.300 28.300 30.337 -2.038 18788 7264 1 10 . 1 1 105 105 ARG H H 105 9.140 9.140 8.495 0.645 18788 7265 1 10 . 1 1 106 106 GLN N N 106 112.000 112.000 115.991 -3.991 18788 7266 1 10 . 1 1 106 106 GLN HA H 106 4.320 4.320 4.218 0.102 18788 7267 1 10 . 1 1 106 106 GLN C C 106 175.600 175.600 175.768 -0.168 18788 7268 1 10 . 1 1 106 106 GLN CA C 106 53.800 53.800 54.818 -1.018 18788 7269 1 10 . 1 1 106 106 GLN CB C 106 28.300 28.300 29.063 -0.763 18788 7270 1 10 . 1 1 106 106 GLN H H 106 7.120 7.120 8.148 -1.028 18788 7271 1 10 . 1 1 107 107 GLY N N 107 107.100 107.100 106.725 0.375 18788 7272 1 10 . 1 1 107 107 GLY C C 107 172.400 172.400 174.216 -1.816 18788 7273 1 10 . 1 1 107 107 GLY CA C 107 46.300 46.300 46.257 0.043 18788 7274 1 10 . 1 1 107 107 GLY H H 107 8.080 8.080 7.884 0.196 18788 7275 1 10 . 1 1 108 108 LEU N N 108 115.100 115.100 117.965 -2.865 18788 7276 1 10 . 1 1 108 108 LEU HA H 108 4.300 4.300 4.560 -0.260 18788 7277 1 10 . 1 1 108 108 LEU C C 108 172.500 172.500 175.029 -2.529 18788 7278 1 10 . 1 1 108 108 LEU CA C 108 53.300 53.300 54.218 -0.918 18788 7279 1 10 . 1 1 108 108 LEU CB C 108 43.500 43.500 43.184 0.316 18788 7280 1 10 . 1 1 108 108 LEU H H 108 7.810 7.810 8.659 -0.849 18788 7281 1 10 . 1 1 109 109 ALA N N 109 112.900 112.900 119.407 -6.507 18788 7282 1 10 . 1 1 109 109 ALA HA H 109 4.500 4.500 4.612 -0.112 18788 7283 1 10 . 1 1 109 109 ALA C C 109 174.800 174.800 175.740 -0.940 18788 7284 1 10 . 1 1 109 109 ALA CA C 109 49.900 49.900 50.743 -0.843 18788 7285 1 10 . 1 1 109 109 ALA CB C 109 24.900 24.900 21.781 3.119 18788 7286 1 10 . 1 1 109 109 ALA H H 109 6.950 6.950 7.463 -0.513 18788 7287 1 10 . 1 1 110 110 LYS N N 110 117.700 117.700 120.912 -3.212 18788 7288 1 10 . 1 1 110 110 LYS HA H 110 5.120 5.120 4.987 0.133 18788 7289 1 10 . 1 1 110 110 LYS C C 110 175.800 175.800 175.700 0.100 18788 7290 1 10 . 1 1 110 110 LYS CA C 110 53.800 53.800 54.875 -1.075 18788 7291 1 10 . 1 1 110 110 LYS CB C 110 35.300 35.300 35.724 -0.424 18788 7292 1 10 . 1 1 110 110 LYS H H 110 7.890 7.890 8.396 -0.506 18788 7293 1 10 . 1 1 111 111 VAL N N 111 123.100 123.100 121.691 1.409 18788 7294 1 10 . 1 1 111 111 VAL HA H 111 4.630 4.630 4.268 0.362 18788 7295 1 10 . 1 1 111 111 VAL C C 111 176.500 176.500 175.641 0.859 18788 7296 1 10 . 1 1 111 111 VAL CA C 111 63.100 63.100 63.407 -0.307 18788 7297 1 10 . 1 1 111 111 VAL CB C 111 30.600 30.600 32.200 -1.601 18788 7298 1 10 . 1 1 111 111 VAL H H 111 9.180 9.180 8.908 0.272 18788 7299 1 10 . 1 1 112 112 ALA N N 112 131.500 131.500 130.008 1.492 18788 7300 1 10 . 1 1 112 112 ALA HA H 112 4.150 4.150 4.598 -0.448 18788 7301 1 10 . 1 1 112 112 ALA C C 112 173.300 173.300 175.904 -2.604 18788 7302 1 10 . 1 1 112 112 ALA CA C 112 51.300 51.300 50.908 0.392 18788 7303 1 10 . 1 1 112 112 ALA CB C 112 23.900 23.900 21.261 2.639 18788 7304 1 10 . 1 1 112 112 ALA H H 112 8.000 8.000 8.593 -0.593 18788 7305 1 10 . 1 1 114 114 VAL N N 114 123.100 123.100 127.830 -4.730 18788 7306 1 10 . 1 1 114 114 VAL HA H 114 3.550 3.550 3.971 -0.421 18788 7307 1 10 . 1 1 114 114 VAL C C 114 174.600 174.600 175.235 -0.635 18788 7308 1 10 . 1 1 114 114 VAL CA C 114 62.000 62.000 62.835 -0.835 18788 7309 1 10 . 1 1 114 114 VAL CB C 114 30.300 30.300 32.016 -1.716 18788 7310 1 10 . 1 1 114 114 VAL H H 114 7.480 7.480 8.001 -0.521 18788 7311 1 10 . 1 1 115 115 TYR N N 115 130.100 130.100 130.325 -0.225 18788 7312 1 10 . 1 1 115 115 TYR HA H 115 4.940 4.940 4.762 0.178 18788 7313 1 10 . 1 1 115 115 TYR C C 115 175.700 175.700 174.320 1.380 18788 7314 1 10 . 1 1 115 115 TYR CA C 115 54.900 54.900 56.584 -1.684 18788 7315 1 10 . 1 1 115 115 TYR CB C 115 38.200 38.200 39.654 -1.454 18788 7316 1 10 . 1 1 115 115 TYR H H 115 8.970 8.970 8.931 0.039 18788 7317 1 10 . 1 1 116 116 LYS N N 116 125.400 125.400 127.868 -2.468 18788 7318 1 10 . 1 1 116 116 LYS HA H 116 3.940 3.940 4.442 -0.502 18788 7319 1 10 . 1 1 116 116 LYS C C 116 175.100 175.100 175.488 -0.388 18788 7320 1 10 . 1 1 116 116 LYS CA C 116 56.400 56.400 55.113 1.287 18788 7321 1 10 . 1 1 116 116 LYS CB C 116 31.600 31.600 31.833 -0.233 18788 7322 1 10 . 1 1 116 116 LYS H H 116 8.770 8.770 8.467 0.303 18788 7323 1 10 . 1 1 117 117 PRO HA H 117 4.620 4.620 4.539 0.081 18788 7324 1 10 . 1 1 117 117 PRO C C 117 175.600 175.600 176.017 -0.417 18788 7325 1 10 . 1 1 117 117 PRO CA C 117 64.100 64.100 63.117 0.983 18788 7326 1 10 . 1 1 117 117 PRO CB C 117 32.600 32.600 32.017 0.583 18788 7327 1 10 . 1 1 118 118 ASN N N 118 128.800 128.800 121.651 7.149 18788 7328 1 10 . 1 1 118 118 ASN HA H 118 5.310 5.310 5.132 0.178 18788 7329 1 10 . 1 1 118 118 ASN C C 118 174.500 174.500 174.300 0.200 18788 7330 1 10 . 1 1 118 118 ASN CA C 118 51.600 51.600 53.160 -1.560 18788 7331 1 10 . 1 1 118 118 ASN CB C 118 36.200 36.200 37.066 -0.866 18788 7332 1 10 . 1 1 118 118 ASN H H 118 8.710 8.710 7.961 0.749 18788 7333 1 10 . 1 1 119 119 ASN N N 119 117.600 117.600 117.271 0.329 18788 7334 1 10 . 1 1 119 119 ASN HA H 119 5.020 5.020 5.026 -0.006 18788 7335 1 10 . 1 1 119 119 ASN C C 119 177.500 177.500 175.964 1.536 18788 7336 1 10 . 1 1 119 119 ASN CA C 119 51.900 51.900 52.952 -1.052 18788 7337 1 10 . 1 1 119 119 ASN CB C 119 39.100 39.100 39.053 0.047 18788 7338 1 10 . 1 1 119 119 ASN H H 119 8.120 8.120 8.303 -0.183 18788 7339 1 10 . 1 1 120 120 THR N N 120 124.400 124.400 118.850 5.550 18788 7340 1 10 . 1 1 120 120 THR HA H 120 3.850 3.850 4.037 -0.187 18788 7341 1 10 . 1 1 120 120 THR C C 120 176.400 176.400 174.885 1.515 18788 7342 1 10 . 1 1 120 120 THR CA C 120 69.100 69.100 66.084 3.016 18788 7343 1 10 . 1 1 120 120 THR CB C 120 66.800 66.800 68.758 -1.958 18788 7344 1 10 . 1 1 120 120 THR H H 120 10.730 10.730 8.933 1.797 18788 7345 1 10 . 1 1 121 121 HIS N N 121 113.400 113.400 116.344 -2.944 18788 7346 1 10 . 1 1 121 121 HIS HA H 121 5.420 5.420 4.946 0.474 18788 7347 1 10 . 1 1 121 121 HIS C C 121 174.800 174.800 175.275 -0.475 18788 7348 1 10 . 1 1 121 121 HIS CA C 121 53.900 53.900 54.994 -1.094 18788 7349 1 10 . 1 1 121 121 HIS CB C 121 29.400 29.400 30.588 -1.188 18788 7350 1 10 . 1 1 121 121 HIS H H 121 6.860 6.860 7.645 -0.785 18788 7351 1 10 . 1 1 122 122 GLU N N 122 120.200 120.200 121.503 -1.303 18788 7352 1 10 . 1 1 122 122 GLU HA H 122 3.700 3.700 4.043 -0.343 18788 7353 1 10 . 1 1 122 122 GLU C C 122 177.200 177.200 178.333 -1.133 18788 7354 1 10 . 1 1 122 122 GLU CA C 122 61.200 61.200 59.964 1.236 18788 7355 1 10 . 1 1 122 122 GLU CB C 122 29.900 29.900 29.222 0.678 18788 7356 1 10 . 1 1 122 122 GLU H H 122 7.540 7.540 7.876 -0.336 18788 7357 1 10 . 1 1 123 123 GLN N N 123 117.200 117.200 118.826 -1.626 18788 7358 1 10 . 1 1 123 123 GLN HA H 123 3.970 3.970 4.082 -0.112 18788 7359 1 10 . 1 1 123 123 GLN C C 123 178.600 178.600 178.275 0.325 18788 7360 1 10 . 1 1 123 123 GLN CA C 123 59.500 59.500 58.437 1.063 18788 7361 1 10 . 1 1 123 123 GLN CB C 123 27.100 27.100 27.420 -0.320 18788 7362 1 10 . 1 1 123 123 GLN H H 123 8.920 8.920 8.519 0.401 18788 7363 1 10 . 1 1 124 124 LEU N N 124 122.000 122.000 121.257 0.743 18788 7364 1 10 . 1 1 124 124 LEU HA H 124 4.090 4.090 4.070 0.020 18788 7365 1 10 . 1 1 124 124 LEU C C 124 179.100 179.100 178.610 0.490 18788 7366 1 10 . 1 1 124 124 LEU CA C 124 58.600 58.600 58.069 0.531 18788 7367 1 10 . 1 1 124 124 LEU CB C 124 42.000 42.000 41.554 0.446 18788 7368 1 10 . 1 1 124 124 LEU H H 124 7.940 7.940 8.077 -0.137 18788 7369 1 10 . 1 1 125 125 LEU N N 125 118.900 118.900 119.110 -0.210 18788 7370 1 10 . 1 1 125 125 LEU HA H 125 4.000 4.000 3.991 0.009 18788 7371 1 10 . 1 1 125 125 LEU C C 125 179.200 179.200 179.256 -0.056 18788 7372 1 10 . 1 1 125 125 LEU CA C 125 58.900 58.900 57.992 0.908 18788 7373 1 10 . 1 1 125 125 LEU CB C 125 41.100 41.100 41.355 -0.255 18788 7374 1 10 . 1 1 125 125 LEU H H 125 8.030 8.030 7.687 0.343 18788 7375 1 10 . 1 1 126 126 ARG N N 126 118.800 118.800 119.918 -1.118 18788 7376 1 10 . 1 1 126 126 ARG HA H 126 4.030 4.030 3.955 0.075 18788 7377 1 10 . 1 1 126 126 ARG C C 126 179.700 179.700 178.666 1.034 18788 7378 1 10 . 1 1 126 126 ARG CA C 126 60.600 60.600 60.189 0.411 18788 7379 1 10 . 1 1 126 126 ARG CB C 126 29.100 29.100 30.188 -1.088 18788 7380 1 10 . 1 1 126 126 ARG H H 126 9.010 9.010 8.811 0.199 18788 7381 1 10 . 1 1 127 127 LYS N N 127 122.700 122.700 119.536 3.164 18788 7382 1 10 . 1 1 127 127 LYS HA H 127 4.150 4.150 4.116 0.034 18788 7383 1 10 . 1 1 127 127 LYS C C 127 179.800 179.800 178.893 0.907 18788 7384 1 10 . 1 1 127 127 LYS CA C 127 60.100 60.100 59.009 1.091 18788 7385 1 10 . 1 1 127 127 LYS CB C 127 31.700 31.700 31.448 0.252 18788 7386 1 10 . 1 1 127 127 LYS H H 127 8.160 8.160 8.408 -0.248 18788 7387 1 10 . 1 1 128 128 SER N N 128 118.300 118.300 117.066 1.234 18788 7388 1 10 . 1 1 128 128 SER HA H 128 4.320 4.320 4.180 0.140 18788 7389 1 10 . 1 1 128 128 SER C C 128 175.500 175.500 176.084 -0.584 18788 7390 1 10 . 1 1 128 128 SER CA C 128 63.600 63.600 62.890 0.710 18788 7391 1 10 . 1 1 128 128 SER CB C 128 62.600 62.600 62.980 -0.380 18788 7392 1 10 . 1 1 128 128 SER H H 128 7.830 7.830 7.628 0.202 18788 7393 1 10 . 1 1 129 129 GLU N N 129 125.200 125.200 123.325 1.875 18788 7394 1 10 . 1 1 129 129 GLU HA H 129 3.900 3.900 3.987 -0.087 18788 7395 1 10 . 1 1 129 129 GLU C C 129 177.400 177.400 178.076 -0.676 18788 7396 1 10 . 1 1 129 129 GLU CA C 129 59.200 59.200 59.320 -0.120 18788 7397 1 10 . 1 1 129 129 GLU CB C 129 30.900 30.900 29.782 1.118 18788 7398 1 10 . 1 1 129 129 GLU H H 129 8.580 8.580 8.303 0.277 18788 7399 1 10 . 1 1 130 130 ALA N N 130 119.500 119.500 121.571 -2.071 18788 7400 1 10 . 1 1 130 130 ALA HA H 130 3.850 3.850 3.838 0.012 18788 7401 1 10 . 1 1 130 130 ALA C C 130 181.000 181.000 179.669 1.331 18788 7402 1 10 . 1 1 130 130 ALA CA C 130 55.000 55.000 55.194 -0.194 18788 7403 1 10 . 1 1 130 130 ALA CB C 130 17.600 17.600 17.833 -0.233 18788 7404 1 10 . 1 1 130 130 ALA H H 130 7.950 7.950 7.866 0.084 18788 7405 1 10 . 1 1 131 131 GLN N N 131 118.600 118.600 119.312 -0.712 18788 7406 1 10 . 1 1 131 131 GLN HA H 131 3.990 3.990 3.980 0.010 18788 7407 1 10 . 1 1 131 131 GLN C C 131 177.200 177.200 177.806 -0.606 18788 7408 1 10 . 1 1 131 131 GLN CA C 131 58.800 58.800 58.606 0.194 18788 7409 1 10 . 1 1 131 131 GLN CB C 131 28.000 28.000 28.501 -0.501 18788 7410 1 10 . 1 1 131 131 GLN H H 131 7.520 7.520 7.620 -0.100 18788 7411 1 10 . 1 1 132 132 ALA N N 132 123.100 123.100 122.121 0.979 18788 7412 1 10 . 1 1 132 132 ALA HA H 132 3.930 3.930 4.002 -0.072 18788 7413 1 10 . 1 1 132 132 ALA C C 132 179.500 179.500 179.571 -0.071 18788 7414 1 10 . 1 1 132 132 ALA CA C 132 55.600 55.600 55.193 0.407 18788 7415 1 10 . 1 1 132 132 ALA CB C 132 18.400 18.400 18.395 0.005 18788 7416 1 10 . 1 1 132 132 ALA H H 132 8.000 8.000 8.138 -0.138 18788 7417 1 10 . 1 1 133 133 LYS N N 133 117.200 117.200 117.486 -0.286 18788 7418 1 10 . 1 1 133 133 LYS HA H 133 3.450 3.450 3.494 -0.044 18788 7419 1 10 . 1 1 133 133 LYS C C 133 180.800 180.800 179.020 1.780 18788 7420 1 10 . 1 1 133 133 LYS CA C 133 59.500 59.500 59.089 0.411 18788 7421 1 10 . 1 1 133 133 LYS CB C 133 32.200 32.200 32.152 0.048 18788 7422 1 10 . 1 1 133 133 LYS H H 133 8.170 8.170 7.957 0.213 18788 7423 1 10 . 1 1 134 134 LYS N N 134 122.600 122.600 117.617 4.983 18788 7424 1 10 . 1 1 134 134 LYS HA H 134 3.960 3.960 4.112 -0.152 18788 7425 1 10 . 1 1 134 134 LYS C C 134 178.700 178.700 178.441 0.259 18788 7426 1 10 . 1 1 134 134 LYS CA C 134 59.200 59.200 58.514 0.686 18788 7427 1 10 . 1 1 134 134 LYS CB C 134 32.200 32.200 32.329 -0.129 18788 7428 1 10 . 1 1 134 134 LYS H H 134 7.830 7.830 7.727 0.103 18788 7429 1 10 . 1 1 135 135 GLU N N 135 116.500 116.500 117.275 -0.775 18788 7430 1 10 . 1 1 135 135 GLU HA H 135 4.030 4.030 4.416 -0.386 18788 7431 1 10 . 1 1 135 135 GLU C C 135 174.500 174.500 175.154 -0.654 18788 7432 1 10 . 1 1 135 135 GLU CA C 135 56.700 56.700 55.709 0.991 18788 7433 1 10 . 1 1 135 135 GLU CB C 135 29.700 29.700 29.723 -0.023 18788 7434 1 10 . 1 1 135 135 GLU H H 135 7.680 7.680 7.794 -0.114 18788 7435 1 10 . 1 1 136 136 LYS N N 136 116.800 116.800 117.248 -0.448 18788 7436 1 10 . 1 1 136 136 LYS HA H 136 3.540 3.540 4.033 -0.493 18788 7437 1 10 . 1 1 136 136 LYS C C 136 175.000 175.000 175.961 -0.961 18788 7438 1 10 . 1 1 136 136 LYS CA C 136 56.800 56.800 56.594 0.206 18788 7439 1 10 . 1 1 136 136 LYS CB C 136 28.800 28.800 29.809 -1.009 18788 7440 1 10 . 1 1 136 136 LYS H H 136 7.820 7.820 7.340 0.480 18788 7441 1 10 . 1 1 137 137 LEU N N 137 117.000 117.000 119.700 -2.700 18788 7442 1 10 . 1 1 137 137 LEU HA H 137 4.190 4.190 4.208 -0.018 18788 7443 1 10 . 1 1 137 137 LEU C C 137 178.500 178.500 178.287 0.213 18788 7444 1 10 . 1 1 137 137 LEU CA C 137 55.000 55.000 55.353 -0.353 18788 7445 1 10 . 1 1 137 137 LEU CB C 137 44.000 44.000 41.865 2.135 18788 7446 1 10 . 1 1 137 137 LEU H H 137 7.650 7.650 8.355 -0.705 18788 7447 1 10 . 1 1 138 138 ASN N N 138 118.700 118.700 119.225 -0.525 18788 7448 1 10 . 1 1 138 138 ASN HA H 138 3.730 3.730 4.290 -0.560 18788 7449 1 10 . 1 1 138 138 ASN C C 138 176.300 176.300 177.603 -1.303 18788 7450 1 10 . 1 1 138 138 ASN CA C 138 56.600 56.600 56.631 -0.031 18788 7451 1 10 . 1 1 138 138 ASN CB C 138 38.700 38.700 38.534 0.166 18788 7452 1 10 . 1 1 138 138 ASN H H 138 9.050 9.050 8.544 0.506 18788 7453 1 10 . 1 1 139 139 ILE N N 139 123.800 123.800 112.755 11.045 18788 7454 1 10 . 1 1 139 139 ILE HA H 139 3.380 3.380 3.936 -0.556 18788 7455 1 10 . 1 1 139 139 ILE C C 139 176.700 176.700 175.841 0.859 18788 7456 1 10 . 1 1 139 139 ILE CA C 139 65.700 65.700 62.757 2.943 18788 7457 1 10 . 1 1 139 139 ILE CB C 139 37.000 37.000 37.467 -0.467 18788 7458 1 10 . 1 1 139 139 ILE H H 139 8.350 8.350 7.869 0.481 18788 7459 1 10 . 1 1 140 140 TRP N N 140 119.700 119.700 118.674 1.026 18788 7460 1 10 . 1 1 140 140 TRP HA H 140 4.940 4.940 4.894 0.046 18788 7461 1 10 . 1 1 140 140 TRP C C 140 176.200 176.200 178.111 -1.911 18788 7462 1 10 . 1 1 140 140 TRP CA C 140 54.900 54.900 56.725 -1.825 18788 7463 1 10 . 1 1 140 140 TRP CB C 140 30.000 30.000 30.611 -0.611 18788 7464 1 10 . 1 1 140 140 TRP H H 140 7.850 7.850 7.993 -0.143 18788 7465 1 10 . 1 1 141 141 SER N N 141 116.100 116.100 115.629 0.471 18788 7466 1 10 . 1 1 141 141 SER HA H 141 4.220 4.220 4.338 -0.118 18788 7467 1 10 . 1 1 141 141 SER C C 141 175.200 175.200 175.989 -0.789 18788 7468 1 10 . 1 1 141 141 SER CA C 141 59.800 59.800 61.661 -1.861 18788 7469 1 10 . 1 1 141 141 SER CB C 141 64.600 64.600 62.515 2.085 18788 7470 1 10 . 1 1 141 141 SER H H 141 8.080 8.080 8.149 -0.069 18788 7471 1 10 . 1 1 142 142 GLU N N 142 121.200 121.200 118.725 2.475 18788 7472 1 10 . 1 1 142 142 GLU HA H 142 4.430 4.430 4.235 0.195 18788 7473 1 10 . 1 1 142 142 GLU C C 142 176.200 176.200 176.307 -0.107 18788 7474 1 10 . 1 1 142 142 GLU CA C 142 56.100 56.100 56.743 -0.643 18788 7475 1 10 . 1 1 142 142 GLU CB C 142 30.500 30.500 29.674 0.826 18788 7476 1 10 . 1 1 142 142 GLU H H 142 8.020 8.020 8.383 -0.363 18788 7477 1 10 . 1 1 143 143 ASP N N 143 121.400 121.400 118.820 2.580 18788 7478 1 10 . 1 1 143 143 ASP HA H 143 4.620 4.620 4.551 0.069 18788 7479 1 10 . 1 1 143 143 ASP C C 143 176.100 176.100 176.324 -0.224 18788 7480 1 10 . 1 1 143 143 ASP CA C 143 54.800 54.800 54.736 0.064 18788 7481 1 10 . 1 1 143 143 ASP CB C 143 41.200 41.200 40.471 0.729 18788 7482 1 10 . 1 1 143 143 ASP H H 143 8.370 8.370 7.766 0.604 18788 7483 1 10 . 1 1 144 144 ASN N N 144 119.300 119.300 119.480 -0.180 18788 7484 1 10 . 1 1 144 144 ASN HA H 144 4.760 4.760 4.555 0.205 18788 7485 1 10 . 1 1 144 144 ASN C C 144 175.200 175.200 175.721 -0.521 18788 7486 1 10 . 1 1 144 144 ASN CA C 144 53.200 53.200 54.043 -0.843 18788 7487 1 10 . 1 1 144 144 ASN CB C 144 39.000 39.000 38.514 0.485 18788 7488 1 10 . 1 1 144 144 ASN H H 144 8.400 8.400 8.672 -0.272 18788 7489 1 10 . 1 1 145 145 ALA N N 145 124.300 124.300 122.744 1.556 18788 7490 1 10 . 1 1 145 145 ALA HA H 145 4.310 4.310 3.818 0.492 18788 7491 1 10 . 1 1 145 145 ALA C C 145 177.700 177.700 178.409 -0.709 18788 7492 1 10 . 1 1 145 145 ALA CA C 145 53.300 53.300 54.649 -1.349 18788 7493 1 10 . 1 1 145 145 ALA CB C 145 19.200 19.200 17.687 1.513 18788 7494 1 10 . 1 1 145 145 ALA H H 145 8.240 8.240 8.063 0.177 18788 7495 1 10 . 1 1 146 146 ASP N N 146 119.200 119.200 119.423 -0.223 18788 7496 1 10 . 1 1 146 146 ASP HA H 146 4.670 4.670 4.280 0.390 18788 7497 1 10 . 1 1 146 146 ASP C C 146 176.400 176.400 176.432 -0.032 18788 7498 1 10 . 1 1 146 146 ASP CA C 146 54.400 54.400 56.453 -2.053 18788 7499 1 10 . 1 1 146 146 ASP CB C 146 41.200 41.200 39.943 1.257 18788 7500 1 10 . 1 1 146 146 ASP H H 146 8.340 8.340 8.497 -0.157 18788 7501 1 10 . 1 1 147 147 SER N N 147 116.100 116.100 114.016 2.084 18788 7502 1 10 . 1 1 147 147 SER HA H 147 4.450 4.450 4.286 0.164 18788 7503 1 10 . 1 1 147 147 SER C C 147 175.200 175.200 174.600 0.600 18788 7504 1 10 . 1 1 147 147 SER CA C 147 58.900 58.900 59.039 -0.140 18788 7505 1 10 . 1 1 147 147 SER CB C 147 64.100 64.100 62.980 1.120 18788 7506 1 10 . 1 1 147 147 SER H H 147 8.220 8.220 8.511 -0.291 18788 7507 1 10 . 1 1 148 148 GLY N N 148 111.200 111.200 108.792 2.408 18788 7508 1 10 . 1 1 148 148 GLY C C 148 173.400 173.400 173.477 -0.077 18788 7509 1 10 . 1 1 148 148 GLY CA C 148 45.500 45.500 45.213 0.287 18788 7510 1 10 . 1 1 148 148 GLY H H 148 8.470 8.470 8.115 0.355 18788 7511 1 11 . 1 1 2 2 THR N N 2 120.300 120.300 114.090 6.210 18788 7512 1 11 . 1 1 2 2 THR HA H 2 4.430 4.430 4.135 0.295 18788 7513 1 11 . 1 1 2 2 THR C C 2 174.400 174.400 173.956 0.444 18788 7514 1 11 . 1 1 2 2 THR CA C 2 62.100 62.100 62.402 -0.302 18788 7515 1 11 . 1 1 2 2 THR CB C 2 69.900 69.900 68.794 1.106 18788 7516 1 11 . 1 1 2 2 THR H H 2 8.320 8.320 8.303 0.017 18788 7517 1 11 . 1 1 3 3 SER N N 3 118.700 118.700 117.524 1.176 18788 7518 1 11 . 1 1 3 3 SER HA H 3 5.000 5.000 4.575 0.425 18788 7519 1 11 . 1 1 3 3 SER CA C 3 58.400 58.400 57.783 0.617 18788 7520 1 11 . 1 1 3 3 SER CB C 3 68.800 68.800 63.654 5.146 18788 7521 1 11 . 1 1 3 3 SER H H 3 8.520 8.520 8.315 0.205 18788 7522 1 11 . 1 1 4 4 THR HA H 4 4.380 4.380 4.504 -0.124 18788 7523 1 11 . 1 1 4 4 THR C C 4 174.400 174.400 174.691 -0.291 18788 7524 1 11 . 1 1 4 4 THR CA C 4 62.000 62.000 61.758 0.242 18788 7525 1 11 . 1 1 4 4 THR CB C 4 69.700 69.700 69.322 0.378 18788 7526 1 11 . 1 1 5 5 LYS N N 5 124.000 124.000 126.459 -2.459 18788 7527 1 11 . 1 1 5 5 LYS HA H 5 4.370 4.370 4.536 -0.166 18788 7528 1 11 . 1 1 5 5 LYS C C 5 176.100 176.100 176.122 -0.022 18788 7529 1 11 . 1 1 5 5 LYS CA C 5 56.500 56.500 55.836 0.665 18788 7530 1 11 . 1 1 5 5 LYS CB C 5 32.900 32.900 34.051 -1.151 18788 7531 1 11 . 1 1 5 5 LYS H H 5 8.320 8.320 8.498 -0.178 18788 7532 1 11 . 1 1 6 6 LYS N N 6 122.500 122.500 119.241 3.259 18788 7533 1 11 . 1 1 6 6 LYS HA H 6 4.400 4.400 4.702 -0.302 18788 7534 1 11 . 1 1 6 6 LYS C C 6 176.200 176.200 174.967 1.233 18788 7535 1 11 . 1 1 6 6 LYS CA C 6 55.900 55.900 54.873 1.027 18788 7536 1 11 . 1 1 6 6 LYS CB C 6 33.600 33.600 34.175 -0.575 18788 7537 1 11 . 1 1 6 6 LYS H H 6 8.220 8.220 8.345 -0.125 18788 7538 1 11 . 1 1 7 7 LEU N N 7 122.200 122.200 117.035 5.165 18788 7539 1 11 . 1 1 7 7 LEU HA H 7 4.550 4.550 4.474 0.076 18788 7540 1 11 . 1 1 7 7 LEU C C 7 176.600 176.600 175.767 0.833 18788 7541 1 11 . 1 1 7 7 LEU CA C 7 54.800 54.800 56.151 -1.351 18788 7542 1 11 . 1 1 7 7 LEU CB C 7 41.500 41.500 41.303 0.197 18788 7543 1 11 . 1 1 7 7 LEU H H 7 8.340 8.340 8.615 -0.275 18788 7544 1 11 . 1 1 8 8 HIS N N 8 119.200 119.200 115.843 3.357 18788 7545 1 11 . 1 1 8 8 HIS HA H 8 4.990 4.990 4.945 0.045 18788 7546 1 11 . 1 1 8 8 HIS C C 8 173.700 173.700 173.753 -0.053 18788 7547 1 11 . 1 1 8 8 HIS CA C 8 55.300 55.300 54.430 0.870 18788 7548 1 11 . 1 1 8 8 HIS CB C 8 32.200 32.200 32.426 -0.226 18788 7549 1 11 . 1 1 8 8 HIS H H 8 8.860 8.860 8.846 0.014 18788 7550 1 11 . 1 1 9 9 LYS N N 9 124.000 124.000 123.803 0.197 18788 7551 1 11 . 1 1 9 9 LYS HA H 9 4.840 4.840 4.593 0.247 18788 7552 1 11 . 1 1 9 9 LYS C C 9 176.400 176.400 176.432 -0.032 18788 7553 1 11 . 1 1 9 9 LYS CA C 9 55.700 55.700 56.315 -0.615 18788 7554 1 11 . 1 1 9 9 LYS CB C 9 34.700 34.700 33.505 1.195 18788 7555 1 11 . 1 1 9 9 LYS H H 9 8.480 8.480 8.605 -0.125 18788 7556 1 11 . 1 1 10 10 GLU N N 10 123.100 123.100 124.025 -0.925 18788 7557 1 11 . 1 1 10 10 GLU HA H 10 5.060 5.060 4.929 0.131 18788 7558 1 11 . 1 1 10 10 GLU C C 10 173.200 173.200 174.035 -0.835 18788 7559 1 11 . 1 1 10 10 GLU CA C 10 53.400 53.400 53.185 0.215 18788 7560 1 11 . 1 1 10 10 GLU CB C 10 33.000 33.000 31.951 1.049 18788 7561 1 11 . 1 1 10 10 GLU H H 10 9.390 9.390 8.967 0.423 18788 7562 1 11 . 1 1 11 11 PRO HA H 11 4.900 4.900 5.003 -0.103 18788 7563 1 11 . 1 1 11 11 PRO C C 11 175.400 175.400 175.679 -0.279 18788 7564 1 11 . 1 1 11 11 PRO CA C 11 63.100 63.100 62.667 0.433 18788 7565 1 11 . 1 1 11 11 PRO CB C 11 33.000 33.000 32.523 0.478 18788 7566 1 11 . 1 1 12 12 ALA N N 12 119.700 119.700 123.524 -3.824 18788 7567 1 11 . 1 1 12 12 ALA HA H 12 4.990 4.990 5.020 -0.030 18788 7568 1 11 . 1 1 12 12 ALA C C 12 175.400 175.400 175.431 -0.031 18788 7569 1 11 . 1 1 12 12 ALA CA C 12 51.600 51.600 51.148 0.452 18788 7570 1 11 . 1 1 12 12 ALA CB C 12 24.600 24.600 23.303 1.296 18788 7571 1 11 . 1 1 12 12 ALA H H 12 8.070 8.070 8.972 -0.902 18788 7572 1 11 . 1 1 13 13 THR N N 13 109.100 109.100 115.689 -6.589 18788 7573 1 11 . 1 1 13 13 THR HA H 13 4.700 4.700 4.694 0.006 18788 7574 1 11 . 1 1 13 13 THR C C 13 174.000 174.000 173.230 0.770 18788 7575 1 11 . 1 1 13 13 THR CA C 13 60.700 60.700 61.466 -0.766 18788 7576 1 11 . 1 1 13 13 THR CB C 13 71.600 71.600 71.843 -0.243 18788 7577 1 11 . 1 1 13 13 THR H H 13 8.090 8.090 8.159 -0.069 18788 7578 1 11 . 1 1 14 14 LEU N N 14 125.200 125.200 127.276 -2.076 18788 7579 1 11 . 1 1 14 14 LEU HA H 14 4.140 4.140 4.376 -0.236 18788 7580 1 11 . 1 1 14 14 LEU C C 14 176.700 176.700 175.350 1.350 18788 7581 1 11 . 1 1 14 14 LEU CA C 14 56.800 56.800 55.034 1.766 18788 7582 1 11 . 1 1 14 14 LEU CB C 14 42.900 42.900 42.586 0.314 18788 7583 1 11 . 1 1 14 14 LEU H H 14 9.150 9.150 8.856 0.294 18788 7584 1 11 . 1 1 15 15 ILE N N 15 125.200 125.200 124.090 1.110 18788 7585 1 11 . 1 1 15 15 ILE HA H 15 4.220 4.220 4.185 0.035 18788 7586 1 11 . 1 1 15 15 ILE C C 15 175.900 175.900 175.765 0.135 18788 7587 1 11 . 1 1 15 15 ILE CA C 15 64.300 64.300 61.737 2.563 18788 7588 1 11 . 1 1 15 15 ILE CB C 15 38.700 38.700 39.265 -0.565 18788 7589 1 11 . 1 1 15 15 ILE H H 15 8.460 8.460 8.421 0.039 18788 7590 1 11 . 1 1 16 16 LYS N N 16 114.100 114.100 117.915 -3.815 18788 7591 1 11 . 1 1 16 16 LYS HA H 16 4.460 4.460 4.626 -0.166 18788 7592 1 11 . 1 1 16 16 LYS C C 16 174.000 174.000 174.176 -0.176 18788 7593 1 11 . 1 1 16 16 LYS CA C 16 56.600 56.600 55.097 1.503 18788 7594 1 11 . 1 1 16 16 LYS CB C 16 35.300 35.300 36.633 -1.333 18788 7595 1 11 . 1 1 16 16 LYS H H 16 8.050 8.050 8.175 -0.125 18788 7596 1 11 . 1 1 17 17 ALA N N 17 129.100 129.100 127.483 1.617 18788 7597 1 11 . 1 1 17 17 ALA HA H 17 4.480 4.480 4.634 -0.154 18788 7598 1 11 . 1 1 17 17 ALA C C 17 175.700 175.700 177.134 -1.434 18788 7599 1 11 . 1 1 17 17 ALA CA C 17 52.300 52.300 51.534 0.766 18788 7600 1 11 . 1 1 17 17 ALA CB C 17 18.200 18.200 19.030 -0.830 18788 7601 1 11 . 1 1 17 17 ALA H H 17 9.470 9.470 8.640 0.830 18788 7602 1 11 . 1 1 18 18 ILE N N 18 123.500 123.500 124.428 -0.928 18788 7603 1 11 . 1 1 18 18 ILE HA H 18 4.110 4.110 4.184 -0.074 18788 7604 1 11 . 1 1 18 18 ILE C C 18 175.100 175.100 176.637 -1.537 18788 7605 1 11 . 1 1 18 18 ILE CA C 18 63.200 63.200 62.048 1.152 18788 7606 1 11 . 1 1 18 18 ILE CB C 18 37.800 37.800 38.545 -0.745 18788 7607 1 11 . 1 1 18 18 ILE H H 18 8.070 8.070 8.418 -0.348 18788 7608 1 11 . 1 1 19 19 ASP N N 19 120.500 120.500 115.961 4.539 18788 7609 1 11 . 1 1 19 19 ASP HA H 19 4.730 4.730 4.796 -0.066 18788 7610 1 11 . 1 1 19 19 ASP C C 19 176.800 176.800 177.671 -0.871 18788 7611 1 11 . 1 1 19 19 ASP CA C 19 53.400 53.400 53.815 -0.415 18788 7612 1 11 . 1 1 19 19 ASP CB C 19 40.100 40.100 43.653 -3.553 18788 7613 1 11 . 1 1 19 19 ASP H H 19 8.290 8.290 8.196 0.094 18788 7614 1 11 . 1 1 20 20 GLY N N 20 103.500 103.500 107.007 -3.507 18788 7615 1 11 . 1 1 20 20 GLY C C 20 173.300 173.300 175.508 -2.208 18788 7616 1 11 . 1 1 20 20 GLY CA C 20 47.700 47.700 47.278 0.422 18788 7617 1 11 . 1 1 20 20 GLY H H 20 8.460 8.460 8.611 -0.151 18788 7618 1 11 . 1 1 21 21 ASP N N 21 111.200 111.200 120.913 -9.713 18788 7619 1 11 . 1 1 21 21 ASP HA H 21 4.850 4.850 4.590 0.260 18788 7620 1 11 . 1 1 21 21 ASP C C 21 175.300 175.300 176.507 -1.207 18788 7621 1 11 . 1 1 21 21 ASP CA C 21 52.100 52.100 55.532 -3.432 18788 7622 1 11 . 1 1 21 21 ASP CB C 21 40.600 40.600 41.521 -0.921 18788 7623 1 11 . 1 1 21 21 ASP H H 21 7.640 7.640 7.708 -0.068 18788 7624 1 11 . 1 1 22 22 THR N N 22 113.200 113.200 117.684 -4.484 18788 7625 1 11 . 1 1 22 22 THR HA H 22 5.700 5.700 5.295 0.405 18788 7626 1 11 . 1 1 22 22 THR C C 22 174.000 174.000 173.928 0.072 18788 7627 1 11 . 1 1 22 22 THR CA C 22 61.000 61.000 63.189 -2.189 18788 7628 1 11 . 1 1 22 22 THR CB C 22 71.800 71.800 69.304 2.496 18788 7629 1 11 . 1 1 22 22 THR H H 22 7.610 7.610 8.009 -0.399 18788 7630 1 11 . 1 1 23 23 VAL N N 23 118.000 118.000 120.657 -2.657 18788 7631 1 11 . 1 1 23 23 VAL HA H 23 4.620 4.620 4.770 -0.150 18788 7632 1 11 . 1 1 23 23 VAL C C 23 172.100 172.100 173.255 -1.155 18788 7633 1 11 . 1 1 23 23 VAL CA C 23 60.100 60.100 59.271 0.829 18788 7634 1 11 . 1 1 23 23 VAL CB C 23 36.200 36.200 35.500 0.700 18788 7635 1 11 . 1 1 23 23 VAL H H 23 8.910 8.910 8.507 0.403 18788 7636 1 11 . 1 1 24 24 LYS N N 24 127.000 127.000 122.368 4.632 18788 7637 1 11 . 1 1 24 24 LYS HA H 24 5.440 5.440 5.187 0.253 18788 7638 1 11 . 1 1 24 24 LYS C C 24 175.200 175.200 174.895 0.305 18788 7639 1 11 . 1 1 24 24 LYS CA C 24 55.600 55.600 55.075 0.525 18788 7640 1 11 . 1 1 24 24 LYS CB C 24 34.400 34.400 34.895 -0.495 18788 7641 1 11 . 1 1 24 24 LYS H H 24 9.470 9.470 8.973 0.497 18788 7642 1 11 . 1 1 25 25 LEU N N 25 127.000 127.000 122.653 4.347 18788 7643 1 11 . 1 1 25 25 LEU HA H 25 5.210 5.210 4.946 0.264 18788 7644 1 11 . 1 1 25 25 LEU C C 25 174.500 174.500 174.759 -0.259 18788 7645 1 11 . 1 1 25 25 LEU CA C 25 53.100 53.100 53.017 0.083 18788 7646 1 11 . 1 1 25 25 LEU CB C 25 45.500 45.500 45.108 0.392 18788 7647 1 11 . 1 1 25 25 LEU H H 25 9.380 9.380 9.079 0.301 18788 7648 1 11 . 1 1 26 26 MET N N 26 122.000 122.000 119.594 2.406 18788 7649 1 11 . 1 1 26 26 MET HA H 26 4.880 4.880 4.759 0.121 18788 7650 1 11 . 1 1 26 26 MET C C 26 175.100 175.100 174.354 0.746 18788 7651 1 11 . 1 1 26 26 MET CA C 26 54.700 54.700 55.089 -0.389 18788 7652 1 11 . 1 1 26 26 MET CB C 26 31.400 31.400 33.570 -2.170 18788 7653 1 11 . 1 1 26 26 MET H H 26 9.530 9.530 8.932 0.598 18788 7654 1 11 . 1 1 27 27 TYR N N 27 129.600 129.600 129.474 0.126 18788 7655 1 11 . 1 1 27 27 TYR HA H 27 5.050 5.050 4.867 0.183 18788 7656 1 11 . 1 1 27 27 TYR C C 27 173.900 173.900 174.985 -1.085 18788 7657 1 11 . 1 1 27 27 TYR CA C 27 57.000 57.000 56.449 0.551 18788 7658 1 11 . 1 1 27 27 TYR CB C 27 41.700 41.700 39.373 2.327 18788 7659 1 11 . 1 1 27 27 TYR H H 27 9.040 9.040 9.154 -0.114 18788 7660 1 11 . 1 1 28 28 LYS N N 28 127.600 127.600 127.428 0.172 18788 7661 1 11 . 1 1 28 28 LYS HA H 28 3.590 3.590 3.713 -0.123 18788 7662 1 11 . 1 1 28 28 LYS C C 28 176.900 176.900 176.092 0.808 18788 7663 1 11 . 1 1 28 28 LYS CA C 28 57.100 57.100 56.889 0.211 18788 7664 1 11 . 1 1 28 28 LYS CB C 28 29.700 29.700 30.312 -0.612 18788 7665 1 11 . 1 1 28 28 LYS H H 28 9.310 9.310 9.138 0.172 18788 7666 1 11 . 1 1 29 29 GLY N N 29 102.400 102.400 103.857 -1.457 18788 7667 1 11 . 1 1 29 29 GLY C C 29 173.600 173.600 173.733 -0.133 18788 7668 1 11 . 1 1 29 29 GLY CA C 29 45.600 45.600 45.111 0.489 18788 7669 1 11 . 1 1 29 29 GLY H H 29 8.450 8.450 8.279 0.171 18788 7670 1 11 . 1 1 30 30 GLN N N 30 119.300 119.300 120.620 -1.320 18788 7671 1 11 . 1 1 30 30 GLN HA H 30 5.030 5.030 4.861 0.169 18788 7672 1 11 . 1 1 30 30 GLN C C 30 173.200 173.200 173.636 -0.436 18788 7673 1 11 . 1 1 30 30 GLN CA C 30 52.200 52.200 52.038 0.161 18788 7674 1 11 . 1 1 30 30 GLN CB C 30 31.200 31.200 29.138 2.062 18788 7675 1 11 . 1 1 30 30 GLN H H 30 7.820 7.820 7.870 -0.050 18788 7676 1 11 . 1 1 31 31 PRO HA H 31 4.880 4.880 4.892 -0.012 18788 7677 1 11 . 1 1 31 31 PRO C C 31 177.400 177.400 176.032 1.368 18788 7678 1 11 . 1 1 31 31 PRO CA C 31 62.600 62.600 63.048 -0.448 18788 7679 1 11 . 1 1 31 31 PRO CB C 31 31.900 31.900 31.758 0.142 18788 7680 1 11 . 1 1 32 32 MET N N 32 125.700 125.700 125.808 -0.108 18788 7681 1 11 . 1 1 32 32 MET HA H 32 4.670 4.670 4.932 -0.262 18788 7682 1 11 . 1 1 32 32 MET C C 32 174.600 174.600 174.372 0.228 18788 7683 1 11 . 1 1 32 32 MET CA C 32 55.800 55.800 54.719 1.081 18788 7684 1 11 . 1 1 32 32 MET CB C 32 37.200 37.200 37.497 -0.297 18788 7685 1 11 . 1 1 32 32 MET H H 32 9.570 9.570 9.361 0.209 18788 7686 1 11 . 1 1 33 33 THR N N 33 123.600 123.600 121.432 2.168 18788 7687 1 11 . 1 1 33 33 THR HA H 33 4.510 4.510 5.049 -0.539 18788 7688 1 11 . 1 1 33 33 THR C C 33 173.100 173.100 174.248 -1.148 18788 7689 1 11 . 1 1 33 33 THR CA C 33 64.300 64.300 63.751 0.549 18788 7690 1 11 . 1 1 33 33 THR CB C 33 68.800 68.800 69.381 -0.581 18788 7691 1 11 . 1 1 33 33 THR H H 33 8.990 8.990 8.729 0.261 18788 7692 1 11 . 1 1 34 34 PHE N N 34 126.100 126.100 124.501 1.599 18788 7693 1 11 . 1 1 34 34 PHE HA H 34 4.890 4.890 5.332 -0.442 18788 7694 1 11 . 1 1 34 34 PHE C C 34 173.400 173.400 174.403 -1.003 18788 7695 1 11 . 1 1 34 34 PHE CA C 34 57.300 57.300 56.850 0.450 18788 7696 1 11 . 1 1 34 34 PHE CB C 34 41.900 41.900 43.212 -1.312 18788 7697 1 11 . 1 1 34 34 PHE H H 34 9.610 9.610 9.400 0.210 18788 7698 1 11 . 1 1 35 35 ARG N N 35 124.200 124.200 118.418 5.782 18788 7699 1 11 . 1 1 35 35 ARG HA H 35 5.080 5.080 4.807 0.273 18788 7700 1 11 . 1 1 35 35 ARG C C 35 174.600 174.600 173.930 0.670 18788 7701 1 11 . 1 1 35 35 ARG CA C 35 52.100 52.100 54.987 -2.888 18788 7702 1 11 . 1 1 35 35 ARG CB C 35 33.600 33.600 35.378 -1.778 18788 7703 1 11 . 1 1 35 35 ARG H H 35 9.640 9.640 9.220 0.420 18788 7704 1 11 . 1 1 38 38 LEU HA H 38 4.330 4.330 4.322 0.008 18788 7705 1 11 . 1 1 38 38 LEU C C 38 175.200 175.200 176.482 -1.282 18788 7706 1 11 . 1 1 38 38 LEU CA C 38 56.600 56.600 55.230 1.369 18788 7707 1 11 . 1 1 38 38 LEU CB C 38 40.100 40.100 41.993 -1.893 18788 7708 1 11 . 1 1 39 39 VAL N N 39 104.500 104.500 112.510 -8.010 18788 7709 1 11 . 1 1 39 39 VAL HA H 39 5.580 5.580 5.000 0.580 18788 7710 1 11 . 1 1 39 39 VAL C C 39 175.600 175.600 173.946 1.654 18788 7711 1 11 . 1 1 39 39 VAL CA C 39 57.800 57.800 58.625 -0.825 18788 7712 1 11 . 1 1 39 39 VAL CB C 39 36.400 36.400 35.219 1.181 18788 7713 1 11 . 1 1 39 39 VAL H H 39 6.920 6.920 7.091 -0.171 18788 7714 1 11 . 1 1 40 40 ASP N N 40 121.500 121.500 123.221 -1.721 18788 7715 1 11 . 1 1 40 40 ASP HA H 40 5.260 5.260 5.059 0.201 18788 7716 1 11 . 1 1 40 40 ASP C C 40 174.600 174.600 175.223 -0.623 18788 7717 1 11 . 1 1 40 40 ASP CA C 40 54.100 54.100 52.907 1.193 18788 7718 1 11 . 1 1 40 40 ASP CB C 40 44.100 44.100 44.295 -0.195 18788 7719 1 11 . 1 1 40 40 ASP H H 40 8.880 8.880 9.023 -0.143 18788 7720 1 11 . 1 1 41 41 THR N N 41 118.700 118.700 115.951 2.749 18788 7721 1 11 . 1 1 41 41 THR HA H 41 5.020 5.020 4.762 0.258 18788 7722 1 11 . 1 1 41 41 THR CA C 41 58.300 58.300 58.467 -0.167 18788 7723 1 11 . 1 1 41 41 THR CB C 41 68.900 68.900 68.927 -0.027 18788 7724 1 11 . 1 1 41 41 THR H H 41 8.520 8.520 8.351 0.169 18788 7725 1 11 . 1 1 42 42 PRO HA H 42 4.440 4.440 4.491 -0.051 18788 7726 1 11 . 1 1 42 42 PRO CA C 42 62.200 62.200 62.688 -0.488 18788 7727 1 11 . 1 1 42 42 PRO CB C 42 32.300 32.300 30.294 2.006 18788 7728 1 11 . 1 1 50 50 GLY C C 50 179.800 179.800 173.692 6.108 18788 7729 1 11 . 1 1 51 51 VAL N N 51 119.200 119.200 119.746 -0.546 18788 7730 1 11 . 1 1 51 51 VAL HA H 51 4.160 4.160 4.446 -0.286 18788 7731 1 11 . 1 1 51 51 VAL C C 51 178.600 178.600 174.024 4.576 18788 7732 1 11 . 1 1 51 51 VAL CA C 51 63.500 63.500 61.380 2.119 18788 7733 1 11 . 1 1 51 51 VAL H H 51 7.820 7.820 7.478 0.342 18788 7734 1 11 . 1 1 54 54 TYR C C 54 176.300 176.300 175.187 1.113 18788 7735 1 11 . 1 1 55 55 GLY N N 55 108.900 108.900 113.136 -4.236 18788 7736 1 11 . 1 1 55 55 GLY C C 55 174.300 174.300 172.516 1.784 18788 7737 1 11 . 1 1 55 55 GLY CA C 55 48.400 48.400 44.219 4.181 18788 7738 1 11 . 1 1 55 55 GLY H H 55 8.810 8.810 8.572 0.238 18788 7739 1 11 . 1 1 57 57 GLU HA H 57 4.010 4.010 4.414 -0.404 18788 7740 1 11 . 1 1 57 57 GLU C C 57 179.500 179.500 177.169 2.331 18788 7741 1 11 . 1 1 57 57 GLU CA C 57 61.700 61.700 53.856 7.844 18788 7742 1 11 . 1 1 58 58 ALA N N 58 125.000 125.000 121.523 3.477 18788 7743 1 11 . 1 1 58 58 ALA HA H 58 4.170 4.170 3.975 0.195 18788 7744 1 11 . 1 1 58 58 ALA C C 58 178.700 178.700 179.553 -0.853 18788 7745 1 11 . 1 1 58 58 ALA CA C 58 55.800 55.800 55.723 0.077 18788 7746 1 11 . 1 1 58 58 ALA CB C 58 18.200 18.200 18.365 -0.165 18788 7747 1 11 . 1 1 58 58 ALA H H 58 8.940 8.940 8.825 0.115 18788 7748 1 11 . 1 1 59 59 SER N N 59 111.900 111.900 115.046 -3.146 18788 7749 1 11 . 1 1 59 59 SER HA H 59 3.740 3.740 4.327 -0.587 18788 7750 1 11 . 1 1 59 59 SER C C 59 177.100 177.100 176.604 0.496 18788 7751 1 11 . 1 1 59 59 SER CA C 59 62.000 62.000 61.095 0.905 18788 7752 1 11 . 1 1 59 59 SER CB C 59 62.900 62.900 62.931 -0.031 18788 7753 1 11 . 1 1 59 59 SER H H 59 8.340 8.340 8.517 -0.177 18788 7754 1 11 . 1 1 60 60 ALA N N 60 122.900 122.900 123.618 -0.718 18788 7755 1 11 . 1 1 60 60 ALA HA H 60 4.070 4.070 4.166 -0.096 18788 7756 1 11 . 1 1 60 60 ALA C C 60 179.100 179.100 179.586 -0.486 18788 7757 1 11 . 1 1 60 60 ALA CA C 60 55.100 55.100 54.839 0.261 18788 7758 1 11 . 1 1 60 60 ALA CB C 60 18.200 18.200 18.122 0.079 18788 7759 1 11 . 1 1 60 60 ALA H H 60 8.440 8.440 8.919 -0.479 18788 7760 1 11 . 1 1 61 61 PHE N N 61 121.700 121.700 119.429 2.271 18788 7761 1 11 . 1 1 61 61 PHE HA H 61 4.050 4.050 4.212 -0.162 18788 7762 1 11 . 1 1 61 61 PHE C C 61 178.100 178.100 177.307 0.793 18788 7763 1 11 . 1 1 61 61 PHE CA C 61 61.800 61.800 61.886 -0.086 18788 7764 1 11 . 1 1 61 61 PHE CB C 61 39.800 39.800 39.562 0.237 18788 7765 1 11 . 1 1 61 61 PHE H H 61 8.190 8.190 8.377 -0.187 18788 7766 1 11 . 1 1 62 62 THR N N 62 120.200 120.200 117.030 3.170 18788 7767 1 11 . 1 1 62 62 THR HA H 62 3.560 3.560 3.792 -0.232 18788 7768 1 11 . 1 1 62 62 THR C C 62 175.300 175.300 176.300 -1.000 18788 7769 1 11 . 1 1 62 62 THR CA C 62 67.600 67.600 67.375 0.225 18788 7770 1 11 . 1 1 62 62 THR CB C 62 68.400 68.400 68.696 -0.296 18788 7771 1 11 . 1 1 62 62 THR H H 62 8.540 8.540 8.764 -0.224 18788 7772 1 11 . 1 1 63 63 LYS N N 63 120.000 120.000 121.338 -1.338 18788 7773 1 11 . 1 1 63 63 LYS HA H 63 3.560 3.560 3.887 -0.327 18788 7774 1 11 . 1 1 63 63 LYS C C 63 176.800 176.800 178.202 -1.402 18788 7775 1 11 . 1 1 63 63 LYS CA C 63 60.400 60.400 59.818 0.583 18788 7776 1 11 . 1 1 63 63 LYS CB C 63 33.300 33.300 32.423 0.877 18788 7777 1 11 . 1 1 63 63 LYS H H 63 7.910 7.910 8.272 -0.362 18788 7778 1 11 . 1 1 64 64 LYS N N 64 117.200 117.200 119.443 -2.243 18788 7779 1 11 . 1 1 64 64 LYS HA H 64 3.940 3.940 3.939 0.001 18788 7780 1 11 . 1 1 64 64 LYS C C 64 178.700 178.700 179.217 -0.517 18788 7781 1 11 . 1 1 64 64 LYS CA C 64 59.200 59.200 59.302 -0.102 18788 7782 1 11 . 1 1 64 64 LYS CB C 64 31.900 31.900 32.108 -0.207 18788 7783 1 11 . 1 1 64 64 LYS H H 64 8.000 8.000 7.813 0.187 18788 7784 1 11 . 1 1 65 65 MET N N 65 116.200 116.200 117.067 -0.867 18788 7785 1 11 . 1 1 65 65 MET HA H 65 3.890 3.890 4.082 -0.192 18788 7786 1 11 . 1 1 65 65 MET C C 65 179.200 179.200 178.858 0.342 18788 7787 1 11 . 1 1 65 65 MET CA C 65 59.800 59.800 57.765 2.035 18788 7788 1 11 . 1 1 65 65 MET CB C 65 32.200 32.200 32.068 0.132 18788 7789 1 11 . 1 1 65 65 MET H H 65 7.680 7.680 7.697 -0.017 18788 7790 1 11 . 1 1 66 66 VAL N N 66 107.700 107.700 115.634 -7.934 18788 7791 1 11 . 1 1 66 66 VAL HA H 66 4.150 4.150 3.812 0.338 18788 7792 1 11 . 1 1 66 66 VAL C C 66 177.500 177.500 178.036 -0.536 18788 7793 1 11 . 1 1 66 66 VAL CA C 66 64.300 64.300 65.847 -1.547 18788 7794 1 11 . 1 1 66 66 VAL CB C 66 31.100 31.100 31.148 -0.048 18788 7795 1 11 . 1 1 66 66 VAL H H 66 8.220 8.220 8.176 0.044 18788 7796 1 11 . 1 1 67 67 GLU N N 67 121.000 121.000 118.199 2.801 18788 7797 1 11 . 1 1 67 67 GLU HA H 67 3.960 3.960 4.098 -0.138 18788 7798 1 11 . 1 1 67 67 GLU C C 67 178.000 178.000 177.642 0.358 18788 7799 1 11 . 1 1 67 67 GLU CA C 67 59.200 59.200 58.849 0.351 18788 7800 1 11 . 1 1 67 67 GLU CB C 67 29.100 29.100 29.702 -0.602 18788 7801 1 11 . 1 1 67 67 GLU H H 67 8.750 8.750 8.336 0.414 18788 7802 1 11 . 1 1 68 68 ASN N N 68 113.400 113.400 115.473 -2.073 18788 7803 1 11 . 1 1 68 68 ASN HA H 68 4.660 4.660 4.741 -0.081 18788 7804 1 11 . 1 1 68 68 ASN C C 68 174.600 174.600 174.809 -0.209 18788 7805 1 11 . 1 1 68 68 ASN CA C 68 53.400 53.400 53.313 0.087 18788 7806 1 11 . 1 1 68 68 ASN CB C 68 38.900 38.900 39.140 -0.240 18788 7807 1 11 . 1 1 68 68 ASN H H 68 7.400 7.400 7.644 -0.244 18788 7808 1 11 . 1 1 69 69 ALA N N 69 121.100 121.100 123.265 -2.165 18788 7809 1 11 . 1 1 69 69 ALA HA H 69 4.490 4.490 4.199 0.291 18788 7810 1 11 . 1 1 69 69 ALA C C 69 177.800 177.800 177.149 0.651 18788 7811 1 11 . 1 1 69 69 ALA CA C 69 51.400 51.400 51.958 -0.557 18788 7812 1 11 . 1 1 69 69 ALA CB C 69 19.200 19.200 19.540 -0.340 18788 7813 1 11 . 1 1 69 69 ALA H H 69 6.680 6.680 7.322 -0.641 18788 7814 1 11 . 1 1 70 70 LYS N N 70 125.700 125.700 121.309 4.391 18788 7815 1 11 . 1 1 70 70 LYS HA H 70 4.370 4.370 4.157 0.213 18788 7816 1 11 . 1 1 70 70 LYS C C 70 177.800 177.800 176.941 0.859 18788 7817 1 11 . 1 1 70 70 LYS CA C 70 57.800 57.800 57.504 0.296 18788 7818 1 11 . 1 1 70 70 LYS CB C 70 32.000 32.000 32.729 -0.729 18788 7819 1 11 . 1 1 70 70 LYS H H 70 10.130 10.130 8.639 1.491 18788 7820 1 11 . 1 1 71 71 LYS N N 71 121.300 121.300 117.498 3.802 18788 7821 1 11 . 1 1 71 71 LYS HA H 71 4.660 4.660 4.600 0.060 18788 7822 1 11 . 1 1 71 71 LYS C C 71 174.600 174.600 174.649 -0.049 18788 7823 1 11 . 1 1 71 71 LYS CA C 71 55.500 55.500 55.438 0.062 18788 7824 1 11 . 1 1 71 71 LYS CB C 71 35.400 35.400 34.245 1.155 18788 7825 1 11 . 1 1 71 71 LYS H H 71 8.920 8.920 7.480 1.440 18788 7826 1 11 . 1 1 72 72 ILE N N 72 128.900 128.900 126.234 2.666 18788 7827 1 11 . 1 1 72 72 ILE HA H 72 5.240 5.240 4.881 0.359 18788 7828 1 11 . 1 1 72 72 ILE C C 72 175.300 175.300 175.063 0.237 18788 7829 1 11 . 1 1 72 72 ILE CA C 72 58.700 58.700 60.434 -1.734 18788 7830 1 11 . 1 1 72 72 ILE CB C 72 38.100 38.100 39.522 -1.422 18788 7831 1 11 . 1 1 72 72 ILE H H 72 8.960 8.960 8.291 0.669 18788 7832 1 11 . 1 1 73 73 GLU N N 73 123.100 123.100 126.567 -3.467 18788 7833 1 11 . 1 1 73 73 GLU HA H 73 5.240 5.240 5.331 -0.091 18788 7834 1 11 . 1 1 73 73 GLU C C 73 174.900 174.900 175.537 -0.637 18788 7835 1 11 . 1 1 73 73 GLU CA C 73 53.600 53.600 54.356 -0.756 18788 7836 1 11 . 1 1 73 73 GLU CB C 73 36.200 36.200 33.164 3.035 18788 7837 1 11 . 1 1 73 73 GLU H H 73 8.810 8.810 9.172 -0.362 18788 7838 1 11 . 1 1 74 74 VAL N N 74 117.300 117.300 118.998 -1.698 18788 7839 1 11 . 1 1 74 74 VAL HA H 74 4.550 4.550 4.797 -0.247 18788 7840 1 11 . 1 1 74 74 VAL C C 74 174.000 174.000 174.226 -0.226 18788 7841 1 11 . 1 1 74 74 VAL CA C 74 59.500 59.500 59.428 0.072 18788 7842 1 11 . 1 1 74 74 VAL CB C 74 34.200 34.200 32.526 1.675 18788 7843 1 11 . 1 1 74 74 VAL H H 74 9.510 9.510 9.103 0.407 18788 7844 1 11 . 1 1 75 75 GLU N N 75 126.900 126.900 128.674 -1.774 18788 7845 1 11 . 1 1 75 75 GLU HA H 75 5.160 5.160 5.020 0.140 18788 7846 1 11 . 1 1 75 75 GLU C C 75 175.600 175.600 175.570 0.030 18788 7847 1 11 . 1 1 75 75 GLU CA C 75 54.500 54.500 53.794 0.706 18788 7848 1 11 . 1 1 75 75 GLU CB C 75 35.900 35.900 32.135 3.765 18788 7849 1 11 . 1 1 75 75 GLU H H 75 8.860 8.860 9.096 -0.236 18788 7850 1 11 . 1 1 76 76 PHE N N 76 126.400 126.400 127.772 -1.372 18788 7851 1 11 . 1 1 76 76 PHE HA H 76 4.740 4.740 5.039 -0.299 18788 7852 1 11 . 1 1 76 76 PHE C C 76 175.600 175.600 176.243 -0.643 18788 7853 1 11 . 1 1 76 76 PHE CA C 76 59.500 59.500 58.877 0.623 18788 7854 1 11 . 1 1 76 76 PHE CB C 76 39.700 39.700 39.490 0.210 18788 7855 1 11 . 1 1 76 76 PHE H H 76 8.770 8.770 8.766 0.004 18788 7856 1 11 . 1 1 77 77 ASP N N 77 123.000 123.000 123.875 -0.875 18788 7857 1 11 . 1 1 77 77 ASP HA H 77 5.310 5.310 4.941 0.369 18788 7858 1 11 . 1 1 77 77 ASP C C 77 177.600 177.600 177.638 -0.038 18788 7859 1 11 . 1 1 77 77 ASP CA C 77 51.800 51.800 54.563 -2.763 18788 7860 1 11 . 1 1 77 77 ASP CB C 77 42.900 42.900 43.088 -0.188 18788 7861 1 11 . 1 1 77 77 ASP H H 77 9.310 9.310 8.565 0.745 18788 7862 1 11 . 1 1 78 78 LYS N N 78 119.100 119.100 118.943 0.157 18788 7863 1 11 . 1 1 78 78 LYS HA H 78 4.240 4.240 4.466 -0.226 18788 7864 1 11 . 1 1 78 78 LYS C C 78 177.100 177.100 176.184 0.916 18788 7865 1 11 . 1 1 78 78 LYS CA C 78 57.700 57.700 57.317 0.383 18788 7866 1 11 . 1 1 78 78 LYS CB C 78 33.400 33.400 32.272 1.128 18788 7867 1 11 . 1 1 78 78 LYS H H 78 10.360 10.360 8.612 1.748 18788 7868 1 11 . 1 1 79 79 GLY N N 79 111.100 111.100 109.239 1.861 18788 7869 1 11 . 1 1 79 79 GLY C C 79 173.600 173.600 174.248 -0.648 18788 7870 1 11 . 1 1 79 79 GLY CA C 79 44.500 44.500 44.360 0.140 18788 7871 1 11 . 1 1 79 79 GLY H H 79 8.680 8.680 7.885 0.795 18788 7872 1 11 . 1 1 80 80 GLN N N 80 124.800 124.800 119.168 5.632 18788 7873 1 11 . 1 1 80 80 GLN HA H 80 4.140 4.140 4.531 -0.391 18788 7874 1 11 . 1 1 80 80 GLN C C 80 176.900 176.900 175.172 1.728 18788 7875 1 11 . 1 1 80 80 GLN CA C 80 57.200 57.200 56.026 1.174 18788 7876 1 11 . 1 1 80 80 GLN CB C 80 29.200 29.200 30.878 -1.678 18788 7877 1 11 . 1 1 80 80 GLN H H 80 8.800 8.800 8.848 -0.048 18788 7878 1 11 . 1 1 81 81 ARG N N 81 120.700 120.700 117.577 3.123 18788 7879 1 11 . 1 1 81 81 ARG HA H 81 4.620 4.620 4.476 0.144 18788 7880 1 11 . 1 1 81 81 ARG C C 81 176.200 176.200 175.167 1.033 18788 7881 1 11 . 1 1 81 81 ARG CA C 81 57.500 57.500 57.093 0.407 18788 7882 1 11 . 1 1 81 81 ARG CB C 81 32.000 32.000 32.141 -0.141 18788 7883 1 11 . 1 1 81 81 ARG H H 81 8.640 8.640 8.537 0.103 18788 7884 1 11 . 1 1 82 82 THR N N 82 107.900 107.900 109.914 -2.014 18788 7885 1 11 . 1 1 82 82 THR HA H 82 5.540 5.540 4.797 0.743 18788 7886 1 11 . 1 1 82 82 THR C C 82 174.600 174.600 173.573 1.027 18788 7887 1 11 . 1 1 82 82 THR CA C 82 58.400 58.400 60.039 -1.639 18788 7888 1 11 . 1 1 82 82 THR CB C 82 72.500 72.500 72.066 0.434 18788 7889 1 11 . 1 1 82 82 THR H H 82 7.300 7.300 7.357 -0.057 18788 7890 1 11 . 1 1 83 83 ASP N N 83 121.300 121.300 122.454 -1.154 18788 7891 1 11 . 1 1 83 83 ASP HA H 83 4.660 4.660 4.606 0.054 18788 7892 1 11 . 1 1 83 83 ASP C C 83 179.000 179.000 177.838 1.162 18788 7893 1 11 . 1 1 83 83 ASP CA C 83 51.700 51.700 53.977 -2.277 18788 7894 1 11 . 1 1 83 83 ASP CB C 83 42.100 42.100 42.868 -0.768 18788 7895 1 11 . 1 1 83 83 ASP H H 83 8.590 8.590 8.955 -0.365 18788 7896 1 11 . 1 1 85 85 TYR N N 85 119.300 119.300 117.809 1.491 18788 7897 1 11 . 1 1 85 85 TYR HA H 85 4.600 4.600 4.480 0.120 18788 7898 1 11 . 1 1 85 85 TYR C C 85 176.100 176.100 175.993 0.107 18788 7899 1 11 . 1 1 85 85 TYR CA C 85 57.100 57.100 57.791 -0.691 18788 7900 1 11 . 1 1 85 85 TYR CB C 85 37.900 37.900 38.315 -0.415 18788 7901 1 11 . 1 1 85 85 TYR H H 85 7.650 7.650 8.245 -0.595 18788 7902 1 11 . 1 1 86 86 GLY N N 86 108.500 108.500 107.873 0.627 18788 7903 1 11 . 1 1 86 86 GLY C C 86 174.400 174.400 173.919 0.481 18788 7904 1 11 . 1 1 86 86 GLY CA C 86 45.400 45.400 45.136 0.264 18788 7905 1 11 . 1 1 86 86 GLY H H 86 8.120 8.120 7.894 0.226 18788 7906 1 11 . 1 1 87 87 ARG N N 87 121.600 121.600 119.861 1.739 18788 7907 1 11 . 1 1 87 87 ARG HA H 87 4.430 4.430 4.785 -0.355 18788 7908 1 11 . 1 1 87 87 ARG C C 87 177.000 177.000 176.349 0.651 18788 7909 1 11 . 1 1 87 87 ARG CA C 87 55.300 55.300 54.348 0.952 18788 7910 1 11 . 1 1 87 87 ARG CB C 87 30.000 30.000 31.589 -1.589 18788 7911 1 11 . 1 1 87 87 ARG H H 87 8.600 8.600 7.294 1.306 18788 7912 1 11 . 1 1 88 88 GLY N N 88 108.000 108.000 111.445 -3.445 18788 7913 1 11 . 1 1 88 88 GLY C C 88 171.800 171.800 172.729 -0.929 18788 7914 1 11 . 1 1 88 88 GLY CA C 88 44.800 44.800 44.666 0.134 18788 7915 1 11 . 1 1 88 88 GLY H H 88 8.780 8.780 8.506 0.274 18788 7916 1 11 . 1 1 89 89 LEU N N 89 125.100 125.100 127.375 -2.275 18788 7917 1 11 . 1 1 89 89 LEU HA H 89 5.190 5.190 5.431 -0.241 18788 7918 1 11 . 1 1 89 89 LEU C C 89 174.800 174.800 175.659 -0.859 18788 7919 1 11 . 1 1 89 89 LEU CA C 89 52.800 52.800 53.819 -1.019 18788 7920 1 11 . 1 1 89 89 LEU CB C 89 42.900 42.900 41.242 1.658 18788 7921 1 11 . 1 1 89 89 LEU H H 89 8.220 8.220 8.803 -0.583 18788 7922 1 11 . 1 1 90 90 ALA N N 90 119.900 119.900 124.661 -4.761 18788 7923 1 11 . 1 1 90 90 ALA HA H 90 4.790 4.790 4.760 0.030 18788 7924 1 11 . 1 1 90 90 ALA C C 90 177.000 177.000 175.656 1.344 18788 7925 1 11 . 1 1 90 90 ALA CA C 90 50.800 50.800 50.382 0.418 18788 7926 1 11 . 1 1 90 90 ALA CB C 90 23.700 23.700 22.480 1.220 18788 7927 1 11 . 1 1 90 90 ALA H H 90 7.400 7.400 7.770 -0.370 18788 7928 1 11 . 1 1 91 91 TYR N N 91 122.400 122.400 119.667 2.733 18788 7929 1 11 . 1 1 91 91 TYR HA H 91 4.650 4.650 4.424 0.226 18788 7930 1 11 . 1 1 91 91 TYR C C 91 174.600 174.600 175.059 -0.459 18788 7931 1 11 . 1 1 91 91 TYR CA C 91 57.200 57.200 57.724 -0.524 18788 7932 1 11 . 1 1 91 91 TYR CB C 91 37.600 37.600 39.199 -1.599 18788 7933 1 11 . 1 1 91 91 TYR H H 91 9.000 9.000 9.009 -0.009 18788 7934 1 11 . 1 1 92 92 ILE N N 92 122.200 122.200 124.314 -2.114 18788 7935 1 11 . 1 1 92 92 ILE HA H 92 4.950 4.950 4.649 0.301 18788 7936 1 11 . 1 1 92 92 ILE C C 92 173.700 173.700 175.174 -1.474 18788 7937 1 11 . 1 1 92 92 ILE CA C 92 58.700 58.700 60.684 -1.984 18788 7938 1 11 . 1 1 92 92 ILE CB C 92 38.900 38.900 38.920 -0.020 18788 7939 1 11 . 1 1 92 92 ILE H H 92 7.830 7.830 8.770 -0.940 18788 7940 1 11 . 1 1 93 93 TYR N N 93 126.200 126.200 127.176 -0.976 18788 7941 1 11 . 1 1 93 93 TYR HA H 93 5.080 5.080 4.991 0.089 18788 7942 1 11 . 1 1 93 93 TYR C C 93 173.900 173.900 174.483 -0.583 18788 7943 1 11 . 1 1 93 93 TYR CA C 93 56.500 56.500 56.027 0.473 18788 7944 1 11 . 1 1 93 93 TYR CB C 93 41.500 41.500 40.848 0.652 18788 7945 1 11 . 1 1 93 93 TYR H H 93 9.540 9.540 9.382 0.158 18788 7946 1 11 . 1 1 94 94 ALA N N 94 125.700 125.700 126.031 -0.331 18788 7947 1 11 . 1 1 94 94 ALA HA H 94 4.960 4.960 4.517 0.443 18788 7948 1 11 . 1 1 94 94 ALA C C 94 175.700 175.700 177.028 -1.328 18788 7949 1 11 . 1 1 94 94 ALA CA C 94 49.700 49.700 50.682 -0.982 18788 7950 1 11 . 1 1 94 94 ALA CB C 94 20.900 20.900 19.192 1.708 18788 7951 1 11 . 1 1 94 94 ALA H H 94 9.230 9.230 9.149 0.081 18788 7952 1 11 . 1 1 95 95 ASP N N 95 127.600 127.600 124.615 2.985 18788 7953 1 11 . 1 1 95 95 ASP HA H 95 4.430 4.430 4.370 0.060 18788 7954 1 11 . 1 1 95 95 ASP C C 95 176.100 176.100 176.056 0.044 18788 7955 1 11 . 1 1 95 95 ASP CA C 95 56.500 56.500 55.784 0.716 18788 7956 1 11 . 1 1 95 95 ASP CB C 95 39.500 39.500 39.951 -0.451 18788 7957 1 11 . 1 1 95 95 ASP H H 95 9.720 9.720 8.869 0.851 18788 7958 1 11 . 1 1 96 96 GLY N N 96 103.000 103.000 102.062 0.938 18788 7959 1 11 . 1 1 96 96 GLY C C 96 173.800 173.800 174.599 -0.799 18788 7960 1 11 . 1 1 96 96 GLY CA C 96 45.400 45.400 45.285 0.115 18788 7961 1 11 . 1 1 96 96 GLY H H 96 9.420 9.420 8.201 1.219 18788 7962 1 11 . 1 1 97 97 LYS N N 97 121.400 121.400 123.610 -2.210 18788 7963 1 11 . 1 1 97 97 LYS HA H 97 4.670 4.670 4.748 -0.078 18788 7964 1 11 . 1 1 97 97 LYS C C 97 176.000 176.000 176.067 -0.067 18788 7965 1 11 . 1 1 97 97 LYS CA C 97 54.200 54.200 54.572 -0.372 18788 7966 1 11 . 1 1 97 97 LYS CB C 97 33.100 33.100 33.225 -0.125 18788 7967 1 11 . 1 1 97 97 LYS H H 97 7.870 7.870 7.974 -0.104 18788 7968 1 11 . 1 1 98 98 MET N N 98 127.000 127.000 125.307 1.693 18788 7969 1 11 . 1 1 98 98 MET HA H 98 3.780 3.780 4.145 -0.365 18788 7970 1 11 . 1 1 98 98 MET C C 98 177.700 177.700 176.715 0.985 18788 7971 1 11 . 1 1 98 98 MET CA C 98 56.100 56.100 54.551 1.549 18788 7972 1 11 . 1 1 98 98 MET CB C 98 34.700 34.700 30.186 4.514 18788 7973 1 11 . 1 1 98 98 MET H H 98 9.280 9.280 9.090 0.190 18788 7974 1 11 . 1 1 99 99 VAL N N 99 103.700 103.700 126.031 -22.331 18788 7975 1 11 . 1 1 99 99 VAL HA H 99 3.730 3.730 3.625 0.105 18788 7976 1 11 . 1 1 99 99 VAL C C 99 177.200 177.200 177.444 -0.244 18788 7977 1 11 . 1 1 99 99 VAL CA C 99 66.100 66.100 67.103 -1.003 18788 7978 1 11 . 1 1 99 99 VAL CB C 99 32.400 32.400 30.937 1.463 18788 7979 1 11 . 1 1 99 99 VAL H H 99 10.190 10.190 8.233 1.957 18788 7980 1 11 . 1 1 100 100 ASN N N 100 108.600 108.600 116.643 -8.043 18788 7981 1 11 . 1 1 100 100 ASN HA H 100 4.080 4.080 4.313 -0.233 18788 7982 1 11 . 1 1 100 100 ASN C C 100 174.200 174.200 176.761 -2.561 18788 7983 1 11 . 1 1 100 100 ASN CA C 100 57.200 57.200 56.408 0.792 18788 7984 1 11 . 1 1 100 100 ASN CB C 100 34.700 34.700 37.707 -3.007 18788 7985 1 11 . 1 1 100 100 ASN H H 100 9.670 9.670 7.924 1.746 18788 7986 1 11 . 1 1 101 101 GLU N N 101 112.800 112.800 121.696 -8.896 18788 7987 1 11 . 1 1 101 101 GLU HA H 101 3.660 3.660 3.894 -0.234 18788 7988 1 11 . 1 1 101 101 GLU C C 101 176.100 176.100 178.171 -2.071 18788 7989 1 11 . 1 1 101 101 GLU CA C 101 59.800 59.800 59.370 0.430 18788 7990 1 11 . 1 1 101 101 GLU CB C 101 30.200 30.200 29.538 0.662 18788 7991 1 11 . 1 1 101 101 GLU H H 101 6.150 6.150 7.537 -1.387 18788 7992 1 11 . 1 1 102 102 ALA N N 102 122.600 122.600 122.573 0.027 18788 7993 1 11 . 1 1 102 102 ALA HA H 102 4.070 4.070 4.088 -0.018 18788 7994 1 11 . 1 1 102 102 ALA C C 102 179.800 179.800 180.099 -0.299 18788 7995 1 11 . 1 1 102 102 ALA CA C 102 55.300 55.300 55.205 0.095 18788 7996 1 11 . 1 1 102 102 ALA CB C 102 17.900 17.900 18.334 -0.434 18788 7997 1 11 . 1 1 102 102 ALA H H 102 7.810 7.810 7.621 0.189 18788 7998 1 11 . 1 1 103 103 LEU N N 103 116.100 116.100 118.893 -2.793 18788 7999 1 11 . 1 1 103 103 LEU HA H 103 3.280 3.280 3.663 -0.383 18788 8000 1 11 . 1 1 103 103 LEU C C 103 178.900 178.900 178.977 -0.077 18788 8001 1 11 . 1 1 103 103 LEU CA C 103 57.800 57.800 58.016 -0.216 18788 8002 1 11 . 1 1 103 103 LEU CB C 103 45.500 45.500 41.650 3.850 18788 8003 1 11 . 1 1 103 103 LEU H H 103 8.070 8.070 8.467 -0.397 18788 8004 1 11 . 1 1 104 104 VAL N N 104 116.600 116.600 118.614 -2.014 18788 8005 1 11 . 1 1 104 104 VAL HA H 104 3.870 3.870 4.013 -0.143 18788 8006 1 11 . 1 1 104 104 VAL C C 104 180.300 180.300 179.514 0.786 18788 8007 1 11 . 1 1 104 104 VAL CA C 104 65.000 65.000 65.656 -0.656 18788 8008 1 11 . 1 1 104 104 VAL CB C 104 32.000 32.000 31.688 0.312 18788 8009 1 11 . 1 1 104 104 VAL H H 104 6.890 6.890 7.826 -0.936 18788 8010 1 11 . 1 1 105 105 ARG N N 105 122.400 122.400 120.356 2.044 18788 8011 1 11 . 1 1 105 105 ARG HA H 105 4.130 4.130 4.307 -0.177 18788 8012 1 11 . 1 1 105 105 ARG C C 105 176.000 176.000 177.817 -1.817 18788 8013 1 11 . 1 1 105 105 ARG CA C 105 57.000 57.000 58.281 -1.281 18788 8014 1 11 . 1 1 105 105 ARG CB C 105 28.300 28.300 29.974 -1.674 18788 8015 1 11 . 1 1 105 105 ARG H H 105 9.140 9.140 8.615 0.525 18788 8016 1 11 . 1 1 106 106 GLN N N 106 112.000 112.000 115.937 -3.937 18788 8017 1 11 . 1 1 106 106 GLN HA H 106 4.320 4.320 4.234 0.086 18788 8018 1 11 . 1 1 106 106 GLN C C 106 175.600 175.600 175.432 0.168 18788 8019 1 11 . 1 1 106 106 GLN CA C 106 53.800 53.800 54.722 -0.922 18788 8020 1 11 . 1 1 106 106 GLN CB C 106 28.300 28.300 28.983 -0.683 18788 8021 1 11 . 1 1 106 106 GLN H H 106 7.120 7.120 7.958 -0.838 18788 8022 1 11 . 1 1 107 107 GLY N N 107 107.100 107.100 106.680 0.420 18788 8023 1 11 . 1 1 107 107 GLY C C 107 172.400 172.400 174.041 -1.641 18788 8024 1 11 . 1 1 107 107 GLY CA C 107 46.300 46.300 46.150 0.150 18788 8025 1 11 . 1 1 107 107 GLY H H 107 8.080 8.080 7.694 0.386 18788 8026 1 11 . 1 1 108 108 LEU N N 108 115.100 115.100 117.918 -2.818 18788 8027 1 11 . 1 1 108 108 LEU HA H 108 4.300 4.300 4.519 -0.219 18788 8028 1 11 . 1 1 108 108 LEU C C 108 172.500 172.500 175.128 -2.628 18788 8029 1 11 . 1 1 108 108 LEU CA C 108 53.300 53.300 54.278 -0.978 18788 8030 1 11 . 1 1 108 108 LEU CB C 108 43.500 43.500 43.423 0.077 18788 8031 1 11 . 1 1 108 108 LEU H H 108 7.810 7.810 8.691 -0.881 18788 8032 1 11 . 1 1 109 109 ALA N N 109 112.900 112.900 119.346 -6.446 18788 8033 1 11 . 1 1 109 109 ALA HA H 109 4.500 4.500 4.559 -0.059 18788 8034 1 11 . 1 1 109 109 ALA C C 109 174.800 174.800 175.683 -0.883 18788 8035 1 11 . 1 1 109 109 ALA CA C 109 49.900 49.900 50.710 -0.810 18788 8036 1 11 . 1 1 109 109 ALA CB C 109 24.900 24.900 21.803 3.097 18788 8037 1 11 . 1 1 109 109 ALA H H 109 6.950 6.950 7.435 -0.485 18788 8038 1 11 . 1 1 110 110 LYS N N 110 117.700 117.700 119.378 -1.678 18788 8039 1 11 . 1 1 110 110 LYS HA H 110 5.120 5.120 5.033 0.087 18788 8040 1 11 . 1 1 110 110 LYS C C 110 175.800 175.800 175.388 0.412 18788 8041 1 11 . 1 1 110 110 LYS CA C 110 53.800 53.800 54.783 -0.983 18788 8042 1 11 . 1 1 110 110 LYS CB C 110 35.300 35.300 36.213 -0.913 18788 8043 1 11 . 1 1 110 110 LYS H H 110 7.890 7.890 8.811 -0.921 18788 8044 1 11 . 1 1 111 111 VAL N N 111 123.100 123.100 120.631 2.469 18788 8045 1 11 . 1 1 111 111 VAL HA H 111 4.630 4.630 4.399 0.231 18788 8046 1 11 . 1 1 111 111 VAL C C 111 176.500 176.500 174.839 1.661 18788 8047 1 11 . 1 1 111 111 VAL CA C 111 63.100 63.100 61.886 1.214 18788 8048 1 11 . 1 1 111 111 VAL CB C 111 30.600 30.600 33.182 -2.582 18788 8049 1 11 . 1 1 111 111 VAL H H 111 9.180 9.180 9.286 -0.106 18788 8050 1 11 . 1 1 112 112 ALA N N 112 131.500 131.500 130.100 1.400 18788 8051 1 11 . 1 1 112 112 ALA HA H 112 4.150 4.150 4.602 -0.452 18788 8052 1 11 . 1 1 112 112 ALA C C 112 173.300 173.300 175.852 -2.552 18788 8053 1 11 . 1 1 112 112 ALA CA C 112 51.300 51.300 50.776 0.524 18788 8054 1 11 . 1 1 112 112 ALA CB C 112 23.900 23.900 21.019 2.881 18788 8055 1 11 . 1 1 112 112 ALA H H 112 8.000 8.000 8.378 -0.378 18788 8056 1 11 . 1 1 114 114 VAL N N 114 123.100 123.100 126.399 -3.299 18788 8057 1 11 . 1 1 114 114 VAL HA H 114 3.550 3.550 3.945 -0.395 18788 8058 1 11 . 1 1 114 114 VAL C C 114 174.600 174.600 175.572 -0.972 18788 8059 1 11 . 1 1 114 114 VAL CA C 114 62.000 62.000 62.824 -0.824 18788 8060 1 11 . 1 1 114 114 VAL CB C 114 30.300 30.300 30.438 -0.138 18788 8061 1 11 . 1 1 114 114 VAL H H 114 7.480 7.480 8.448 -0.968 18788 8062 1 11 . 1 1 115 115 TYR N N 115 130.100 130.100 130.342 -0.242 18788 8063 1 11 . 1 1 115 115 TYR HA H 115 4.940 4.940 4.704 0.236 18788 8064 1 11 . 1 1 115 115 TYR C C 115 175.700 175.700 174.345 1.355 18788 8065 1 11 . 1 1 115 115 TYR CA C 115 54.900 54.900 56.472 -1.572 18788 8066 1 11 . 1 1 115 115 TYR CB C 115 38.200 38.200 39.275 -1.075 18788 8067 1 11 . 1 1 115 115 TYR H H 115 8.970 8.970 8.098 0.872 18788 8068 1 11 . 1 1 116 116 LYS N N 116 125.400 125.400 128.447 -3.047 18788 8069 1 11 . 1 1 116 116 LYS HA H 116 3.940 3.940 4.354 -0.414 18788 8070 1 11 . 1 1 116 116 LYS C C 116 175.100 175.100 175.433 -0.333 18788 8071 1 11 . 1 1 116 116 LYS CA C 116 56.400 56.400 55.172 1.228 18788 8072 1 11 . 1 1 116 116 LYS CB C 116 31.600 31.600 31.926 -0.326 18788 8073 1 11 . 1 1 116 116 LYS H H 116 8.770 8.770 8.359 0.411 18788 8074 1 11 . 1 1 117 117 PRO HA H 117 4.620 4.620 4.513 0.107 18788 8075 1 11 . 1 1 117 117 PRO C C 117 175.600 175.600 176.111 -0.511 18788 8076 1 11 . 1 1 117 117 PRO CA C 117 64.100 64.100 63.128 0.972 18788 8077 1 11 . 1 1 117 117 PRO CB C 117 32.600 32.600 32.054 0.546 18788 8078 1 11 . 1 1 118 118 ASN N N 118 128.800 128.800 119.221 9.579 18788 8079 1 11 . 1 1 118 118 ASN HA H 118 5.310 5.310 4.982 0.328 18788 8080 1 11 . 1 1 118 118 ASN C C 118 174.500 174.500 173.938 0.562 18788 8081 1 11 . 1 1 118 118 ASN CA C 118 51.600 51.600 53.670 -2.070 18788 8082 1 11 . 1 1 118 118 ASN CB C 118 36.200 36.200 37.341 -1.141 18788 8083 1 11 . 1 1 118 118 ASN H H 118 8.710 8.710 7.938 0.772 18788 8084 1 11 . 1 1 119 119 ASN N N 119 117.600 117.600 116.457 1.143 18788 8085 1 11 . 1 1 119 119 ASN HA H 119 5.020 5.020 5.009 0.011 18788 8086 1 11 . 1 1 119 119 ASN C C 119 177.500 177.500 176.187 1.313 18788 8087 1 11 . 1 1 119 119 ASN CA C 119 51.900 51.900 53.152 -1.252 18788 8088 1 11 . 1 1 119 119 ASN CB C 119 39.100 39.100 39.970 -0.870 18788 8089 1 11 . 1 1 119 119 ASN H H 119 8.120 8.120 8.408 -0.288 18788 8090 1 11 . 1 1 120 120 THR N N 120 124.400 124.400 118.433 5.967 18788 8091 1 11 . 1 1 120 120 THR HA H 120 3.850 3.850 4.127 -0.277 18788 8092 1 11 . 1 1 120 120 THR C C 120 176.400 176.400 175.287 1.113 18788 8093 1 11 . 1 1 120 120 THR CA C 120 69.100 69.100 65.993 3.107 18788 8094 1 11 . 1 1 120 120 THR CB C 120 66.800 66.800 68.821 -2.021 18788 8095 1 11 . 1 1 120 120 THR H H 120 10.730 10.730 9.153 1.577 18788 8096 1 11 . 1 1 121 121 HIS N N 121 113.400 113.400 117.176 -3.776 18788 8097 1 11 . 1 1 121 121 HIS HA H 121 5.420 5.420 4.872 0.548 18788 8098 1 11 . 1 1 121 121 HIS C C 121 174.800 174.800 175.340 -0.540 18788 8099 1 11 . 1 1 121 121 HIS CA C 121 53.900 53.900 55.452 -1.552 18788 8100 1 11 . 1 1 121 121 HIS CB C 121 29.400 29.400 30.146 -0.746 18788 8101 1 11 . 1 1 121 121 HIS H H 121 6.860 6.860 7.774 -0.914 18788 8102 1 11 . 1 1 122 122 GLU N N 122 120.200 120.200 121.166 -0.966 18788 8103 1 11 . 1 1 122 122 GLU HA H 122 3.700 3.700 4.072 -0.372 18788 8104 1 11 . 1 1 122 122 GLU C C 122 177.200 177.200 178.113 -0.913 18788 8105 1 11 . 1 1 122 122 GLU CA C 122 61.200 61.200 59.876 1.324 18788 8106 1 11 . 1 1 122 122 GLU CB C 122 29.900 29.900 28.593 1.307 18788 8107 1 11 . 1 1 122 122 GLU H H 122 7.540 7.540 7.857 -0.317 18788 8108 1 11 . 1 1 123 123 GLN N N 123 117.200 117.200 119.743 -2.543 18788 8109 1 11 . 1 1 123 123 GLN HA H 123 3.970 3.970 4.028 -0.058 18788 8110 1 11 . 1 1 123 123 GLN C C 123 178.600 178.600 178.173 0.427 18788 8111 1 11 . 1 1 123 123 GLN CA C 123 59.500 59.500 58.800 0.700 18788 8112 1 11 . 1 1 123 123 GLN CB C 123 27.100 27.100 27.768 -0.668 18788 8113 1 11 . 1 1 123 123 GLN H H 123 8.920 8.920 8.368 0.552 18788 8114 1 11 . 1 1 124 124 LEU N N 124 122.000 122.000 120.930 1.070 18788 8115 1 11 . 1 1 124 124 LEU HA H 124 4.090 4.090 4.045 0.045 18788 8116 1 11 . 1 1 124 124 LEU C C 124 179.100 179.100 178.629 0.471 18788 8117 1 11 . 1 1 124 124 LEU CA C 124 58.600 58.600 57.858 0.742 18788 8118 1 11 . 1 1 124 124 LEU CB C 124 42.000 42.000 40.941 1.059 18788 8119 1 11 . 1 1 124 124 LEU H H 124 7.940 7.940 8.053 -0.113 18788 8120 1 11 . 1 1 125 125 LEU N N 125 118.900 118.900 118.711 0.189 18788 8121 1 11 . 1 1 125 125 LEU HA H 125 4.000 4.000 3.971 0.029 18788 8122 1 11 . 1 1 125 125 LEU C C 125 179.200 179.200 179.242 -0.042 18788 8123 1 11 . 1 1 125 125 LEU CA C 125 58.900 58.900 58.089 0.811 18788 8124 1 11 . 1 1 125 125 LEU CB C 125 41.100 41.100 41.507 -0.407 18788 8125 1 11 . 1 1 125 125 LEU H H 125 8.030 8.030 7.913 0.117 18788 8126 1 11 . 1 1 126 126 ARG N N 126 118.800 118.800 118.976 -0.176 18788 8127 1 11 . 1 1 126 126 ARG HA H 126 4.030 4.030 3.904 0.126 18788 8128 1 11 . 1 1 126 126 ARG C C 126 179.700 179.700 178.736 0.964 18788 8129 1 11 . 1 1 126 126 ARG CA C 126 60.600 60.600 60.141 0.459 18788 8130 1 11 . 1 1 126 126 ARG CB C 126 29.100 29.100 30.277 -1.177 18788 8131 1 11 . 1 1 126 126 ARG H H 126 9.010 9.010 8.633 0.377 18788 8132 1 11 . 1 1 127 127 LYS N N 127 122.700 122.700 119.384 3.316 18788 8133 1 11 . 1 1 127 127 LYS HA H 127 4.150 4.150 4.123 0.027 18788 8134 1 11 . 1 1 127 127 LYS C C 127 179.800 179.800 178.930 0.870 18788 8135 1 11 . 1 1 127 127 LYS CA C 127 60.100 60.100 58.929 1.171 18788 8136 1 11 . 1 1 127 127 LYS CB C 127 31.700 31.700 31.460 0.240 18788 8137 1 11 . 1 1 127 127 LYS H H 127 8.160 8.160 8.210 -0.050 18788 8138 1 11 . 1 1 128 128 SER N N 128 118.300 118.300 116.874 1.426 18788 8139 1 11 . 1 1 128 128 SER HA H 128 4.320 4.320 4.202 0.118 18788 8140 1 11 . 1 1 128 128 SER C C 128 175.500 175.500 176.023 -0.523 18788 8141 1 11 . 1 1 128 128 SER CA C 128 63.600 63.600 62.742 0.858 18788 8142 1 11 . 1 1 128 128 SER CB C 128 62.600 62.600 62.980 -0.380 18788 8143 1 11 . 1 1 128 128 SER H H 128 7.830 7.830 7.621 0.209 18788 8144 1 11 . 1 1 129 129 GLU N N 129 125.200 125.200 123.325 1.875 18788 8145 1 11 . 1 1 129 129 GLU HA H 129 3.900 3.900 4.067 -0.167 18788 8146 1 11 . 1 1 129 129 GLU C C 129 177.400 177.400 178.109 -0.709 18788 8147 1 11 . 1 1 129 129 GLU CA C 129 59.200 59.200 59.224 -0.023 18788 8148 1 11 . 1 1 129 129 GLU CB C 129 30.900 30.900 29.819 1.081 18788 8149 1 11 . 1 1 129 129 GLU H H 129 8.580 8.580 8.078 0.502 18788 8150 1 11 . 1 1 130 130 ALA N N 130 119.500 119.500 121.606 -2.106 18788 8151 1 11 . 1 1 130 130 ALA HA H 130 3.850 3.850 3.835 0.015 18788 8152 1 11 . 1 1 130 130 ALA C C 130 181.000 181.000 179.823 1.177 18788 8153 1 11 . 1 1 130 130 ALA CA C 130 55.000 55.000 55.177 -0.177 18788 8154 1 11 . 1 1 130 130 ALA CB C 130 17.600 17.600 17.927 -0.327 18788 8155 1 11 . 1 1 130 130 ALA H H 130 7.950 7.950 7.628 0.322 18788 8156 1 11 . 1 1 131 131 GLN N N 131 118.600 118.600 118.332 0.268 18788 8157 1 11 . 1 1 131 131 GLN HA H 131 3.990 3.990 3.909 0.081 18788 8158 1 11 . 1 1 131 131 GLN C C 131 177.200 177.200 178.442 -1.242 18788 8159 1 11 . 1 1 131 131 GLN CA C 131 58.800 58.800 58.808 -0.008 18788 8160 1 11 . 1 1 131 131 GLN CB C 131 28.000 28.000 28.675 -0.675 18788 8161 1 11 . 1 1 131 131 GLN H H 131 7.520 7.520 7.742 -0.222 18788 8162 1 11 . 1 1 132 132 ALA N N 132 123.100 123.100 122.237 0.863 18788 8163 1 11 . 1 1 132 132 ALA HA H 132 3.930 3.930 4.099 -0.169 18788 8164 1 11 . 1 1 132 132 ALA C C 132 179.500 179.500 179.170 0.330 18788 8165 1 11 . 1 1 132 132 ALA CA C 132 55.600 55.600 55.011 0.588 18788 8166 1 11 . 1 1 132 132 ALA CB C 132 18.400 18.400 18.642 -0.242 18788 8167 1 11 . 1 1 132 132 ALA H H 132 8.000 8.000 7.849 0.151 18788 8168 1 11 . 1 1 133 133 LYS N N 133 117.200 117.200 118.515 -1.315 18788 8169 1 11 . 1 1 133 133 LYS HA H 133 3.450 3.450 3.447 0.003 18788 8170 1 11 . 1 1 133 133 LYS C C 133 180.800 180.800 179.515 1.285 18788 8171 1 11 . 1 1 133 133 LYS CA C 133 59.500 59.500 59.331 0.168 18788 8172 1 11 . 1 1 133 133 LYS CB C 133 32.200 32.200 32.013 0.187 18788 8173 1 11 . 1 1 133 133 LYS H H 133 8.170 8.170 8.000 0.170 18788 8174 1 11 . 1 1 134 134 LYS N N 134 122.600 122.600 119.068 3.532 18788 8175 1 11 . 1 1 134 134 LYS HA H 134 3.960 3.960 4.071 -0.111 18788 8176 1 11 . 1 1 134 134 LYS C C 134 178.700 178.700 178.213 0.487 18788 8177 1 11 . 1 1 134 134 LYS CA C 134 59.200 59.200 58.748 0.452 18788 8178 1 11 . 1 1 134 134 LYS CB C 134 32.200 32.200 32.031 0.169 18788 8179 1 11 . 1 1 134 134 LYS H H 134 7.830 7.830 8.047 -0.217 18788 8180 1 11 . 1 1 135 135 GLU N N 135 116.500 116.500 117.041 -0.541 18788 8181 1 11 . 1 1 135 135 GLU HA H 135 4.030 4.030 4.464 -0.434 18788 8182 1 11 . 1 1 135 135 GLU C C 135 174.500 174.500 174.961 -0.461 18788 8183 1 11 . 1 1 135 135 GLU CA C 135 56.700 56.700 55.688 1.012 18788 8184 1 11 . 1 1 135 135 GLU CB C 135 29.700 29.700 29.699 0.001 18788 8185 1 11 . 1 1 135 135 GLU H H 135 7.680 7.680 7.575 0.105 18788 8186 1 11 . 1 1 136 136 LYS N N 136 116.800 116.800 117.534 -0.734 18788 8187 1 11 . 1 1 136 136 LYS HA H 136 3.540 3.540 3.978 -0.438 18788 8188 1 11 . 1 1 136 136 LYS C C 136 175.000 175.000 176.143 -1.143 18788 8189 1 11 . 1 1 136 136 LYS CA C 136 56.800 56.800 56.923 -0.123 18788 8190 1 11 . 1 1 136 136 LYS CB C 136 28.800 28.800 30.056 -1.256 18788 8191 1 11 . 1 1 136 136 LYS H H 136 7.820 7.820 7.647 0.173 18788 8192 1 11 . 1 1 137 137 LEU N N 137 117.000 117.000 117.355 -0.355 18788 8193 1 11 . 1 1 137 137 LEU HA H 137 4.190 4.190 4.255 -0.065 18788 8194 1 11 . 1 1 137 137 LEU C C 137 178.500 178.500 178.327 0.173 18788 8195 1 11 . 1 1 137 137 LEU CA C 137 55.000 55.000 54.661 0.339 18788 8196 1 11 . 1 1 137 137 LEU CB C 137 44.000 44.000 42.586 1.414 18788 8197 1 11 . 1 1 137 137 LEU H H 137 7.650 7.650 8.070 -0.420 18788 8198 1 11 . 1 1 138 138 ASN N N 138 118.700 118.700 119.165 -0.465 18788 8199 1 11 . 1 1 138 138 ASN HA H 138 3.730 3.730 4.303 -0.573 18788 8200 1 11 . 1 1 138 138 ASN C C 138 176.300 176.300 177.608 -1.308 18788 8201 1 11 . 1 1 138 138 ASN CA C 138 56.600 56.600 56.694 -0.094 18788 8202 1 11 . 1 1 138 138 ASN CB C 138 38.700 38.700 38.487 0.213 18788 8203 1 11 . 1 1 138 138 ASN H H 138 9.050 9.050 8.491 0.559 18788 8204 1 11 . 1 1 139 139 ILE N N 139 123.800 123.800 113.263 10.537 18788 8205 1 11 . 1 1 139 139 ILE HA H 139 3.380 3.380 3.935 -0.555 18788 8206 1 11 . 1 1 139 139 ILE C C 139 176.700 176.700 176.263 0.437 18788 8207 1 11 . 1 1 139 139 ILE CA C 139 65.700 65.700 62.725 2.975 18788 8208 1 11 . 1 1 139 139 ILE CB C 139 37.000 37.000 37.595 -0.595 18788 8209 1 11 . 1 1 139 139 ILE H H 139 8.350 8.350 7.890 0.460 18788 8210 1 11 . 1 1 140 140 TRP N N 140 119.700 119.700 119.639 0.061 18788 8211 1 11 . 1 1 140 140 TRP HA H 140 4.940 4.940 4.705 0.235 18788 8212 1 11 . 1 1 140 140 TRP C C 140 176.200 176.200 176.238 -0.038 18788 8213 1 11 . 1 1 140 140 TRP CA C 140 54.900 54.900 56.375 -1.475 18788 8214 1 11 . 1 1 140 140 TRP CB C 140 30.000 30.000 30.069 -0.069 18788 8215 1 11 . 1 1 140 140 TRP H H 140 7.850 7.850 7.630 0.220 18788 8216 1 11 . 1 1 141 141 SER N N 141 116.100 116.100 115.788 0.312 18788 8217 1 11 . 1 1 141 141 SER HA H 141 4.220 4.220 4.681 -0.461 18788 8218 1 11 . 1 1 141 141 SER C C 141 175.200 175.200 175.141 0.059 18788 8219 1 11 . 1 1 141 141 SER CA C 141 59.800 59.800 57.314 2.486 18788 8220 1 11 . 1 1 141 141 SER CB C 141 64.600 64.600 64.115 0.485 18788 8221 1 11 . 1 1 141 141 SER H H 141 8.080 8.080 7.804 0.276 18788 8222 1 11 . 1 1 142 142 GLU N N 142 121.200 121.200 124.408 -3.208 18788 8223 1 11 . 1 1 142 142 GLU HA H 142 4.430 4.430 4.336 0.094 18788 8224 1 11 . 1 1 142 142 GLU C C 142 176.200 176.200 176.453 -0.253 18788 8225 1 11 . 1 1 142 142 GLU CA C 142 56.100 56.100 57.095 -0.995 18788 8226 1 11 . 1 1 142 142 GLU CB C 142 30.500 30.500 29.597 0.903 18788 8227 1 11 . 1 1 142 142 GLU H H 142 8.020 8.020 8.688 -0.668 18788 8228 1 11 . 1 1 143 143 ASP N N 143 121.400 121.400 120.571 0.829 18788 8229 1 11 . 1 1 143 143 ASP HA H 143 4.620 4.620 4.809 -0.189 18788 8230 1 11 . 1 1 143 143 ASP C C 143 176.100 176.100 176.136 -0.036 18788 8231 1 11 . 1 1 143 143 ASP CA C 143 54.800 54.800 52.480 2.320 18788 8232 1 11 . 1 1 143 143 ASP CB C 143 41.200 41.200 43.626 -2.426 18788 8233 1 11 . 1 1 143 143 ASP H H 143 8.370 8.370 7.634 0.736 18788 8234 1 11 . 1 1 144 144 ASN N N 144 119.300 119.300 117.532 1.768 18788 8235 1 11 . 1 1 144 144 ASN HA H 144 4.760 4.760 4.640 0.120 18788 8236 1 11 . 1 1 144 144 ASN C C 144 175.200 175.200 174.352 0.848 18788 8237 1 11 . 1 1 144 144 ASN CA C 144 53.200 53.200 53.808 -0.608 18788 8238 1 11 . 1 1 144 144 ASN CB C 144 39.000 39.000 39.330 -0.330 18788 8239 1 11 . 1 1 144 144 ASN H H 144 8.400 8.400 8.584 -0.184 18788 8240 1 11 . 1 1 145 145 ALA N N 145 124.300 124.300 121.436 2.864 18788 8241 1 11 . 1 1 145 145 ALA HA H 145 4.310 4.310 4.566 -0.256 18788 8242 1 11 . 1 1 145 145 ALA C C 145 177.700 177.700 174.920 2.780 18788 8243 1 11 . 1 1 145 145 ALA CA C 145 53.300 53.300 51.945 1.355 18788 8244 1 11 . 1 1 145 145 ALA CB C 145 19.200 19.200 20.701 -1.501 18788 8245 1 11 . 1 1 145 145 ALA H H 145 8.240 8.240 8.498 -0.258 18788 8246 1 11 . 1 1 146 146 ASP N N 146 119.200 119.200 122.818 -3.618 18788 8247 1 11 . 1 1 146 146 ASP HA H 146 4.670 4.670 4.562 0.108 18788 8248 1 11 . 1 1 146 146 ASP C C 146 176.400 176.400 175.658 0.742 18788 8249 1 11 . 1 1 146 146 ASP CA C 146 54.400 54.400 54.709 -0.309 18788 8250 1 11 . 1 1 146 146 ASP CB C 146 41.200 41.200 40.031 1.169 18788 8251 1 11 . 1 1 146 146 ASP H H 146 8.340 8.340 8.720 -0.380 18788 8252 1 11 . 1 1 147 147 SER N N 147 116.100 116.100 119.730 -3.630 18788 8253 1 11 . 1 1 147 147 SER HA H 147 4.450 4.450 4.575 -0.125 18788 8254 1 11 . 1 1 147 147 SER C C 147 175.200 175.200 174.798 0.402 18788 8255 1 11 . 1 1 147 147 SER CA C 147 58.900 58.900 58.582 0.318 18788 8256 1 11 . 1 1 147 147 SER CB C 147 64.100 64.100 65.079 -0.979 18788 8257 1 11 . 1 1 147 147 SER H H 147 8.220 8.220 8.375 -0.155 18788 8258 1 11 . 1 1 148 148 GLY N N 148 111.200 111.200 111.729 -0.529 18788 8259 1 11 . 1 1 148 148 GLY C C 148 173.400 173.400 173.943 -0.543 18788 8260 1 11 . 1 1 148 148 GLY CA C 148 45.500 45.500 45.377 0.123 18788 8261 1 11 . 1 1 148 148 GLY H H 148 8.470 8.470 8.333 0.137 18788 8262 1 12 . 1 1 2 2 THR N N 2 120.300 120.300 115.861 4.439 18788 8263 1 12 . 1 1 2 2 THR HA H 2 4.430 4.430 4.485 -0.055 18788 8264 1 12 . 1 1 2 2 THR C C 2 174.400 174.400 175.172 -0.772 18788 8265 1 12 . 1 1 2 2 THR CA C 2 62.100 62.100 62.859 -0.759 18788 8266 1 12 . 1 1 2 2 THR CB C 2 69.900 69.900 69.205 0.695 18788 8267 1 12 . 1 1 2 2 THR H H 2 8.320 8.320 8.334 -0.014 18788 8268 1 12 . 1 1 3 3 SER N N 3 118.700 118.700 117.170 1.530 18788 8269 1 12 . 1 1 3 3 SER HA H 3 5.000 5.000 4.631 0.369 18788 8270 1 12 . 1 1 3 3 SER CA C 3 58.400 58.400 57.677 0.723 18788 8271 1 12 . 1 1 3 3 SER CB C 3 68.800 68.800 65.349 3.451 18788 8272 1 12 . 1 1 3 3 SER H H 3 8.520 8.520 7.769 0.751 18788 8273 1 12 . 1 1 4 4 THR HA H 4 4.380 4.380 4.538 -0.158 18788 8274 1 12 . 1 1 4 4 THR C C 4 174.400 174.400 174.405 -0.005 18788 8275 1 12 . 1 1 4 4 THR CA C 4 62.000 62.000 61.833 0.167 18788 8276 1 12 . 1 1 4 4 THR CB C 4 69.700 69.700 70.320 -0.620 18788 8277 1 12 . 1 1 5 5 LYS N N 5 124.000 124.000 125.287 -1.287 18788 8278 1 12 . 1 1 5 5 LYS HA H 5 4.370 4.370 4.286 0.084 18788 8279 1 12 . 1 1 5 5 LYS C C 5 176.100 176.100 176.942 -0.842 18788 8280 1 12 . 1 1 5 5 LYS CA C 5 56.500 56.500 57.642 -1.142 18788 8281 1 12 . 1 1 5 5 LYS CB C 5 32.900 32.900 32.934 -0.035 18788 8282 1 12 . 1 1 5 5 LYS H H 5 8.320 8.320 8.575 -0.255 18788 8283 1 12 . 1 1 6 6 LYS N N 6 122.500 122.500 118.750 3.750 18788 8284 1 12 . 1 1 6 6 LYS HA H 6 4.400 4.400 4.335 0.065 18788 8285 1 12 . 1 1 6 6 LYS C C 6 176.200 176.200 175.258 0.942 18788 8286 1 12 . 1 1 6 6 LYS CA C 6 55.900 55.900 55.405 0.495 18788 8287 1 12 . 1 1 6 6 LYS CB C 6 33.600 33.600 32.915 0.685 18788 8288 1 12 . 1 1 6 6 LYS H H 6 8.220 8.220 7.794 0.426 18788 8289 1 12 . 1 1 7 7 LEU N N 7 122.200 122.200 116.472 5.728 18788 8290 1 12 . 1 1 7 7 LEU HA H 7 4.550 4.550 4.532 0.018 18788 8291 1 12 . 1 1 7 7 LEU C C 7 176.600 176.600 176.735 -0.135 18788 8292 1 12 . 1 1 7 7 LEU CA C 7 54.800 54.800 56.169 -1.369 18788 8293 1 12 . 1 1 7 7 LEU CB C 7 41.500 41.500 42.012 -0.512 18788 8294 1 12 . 1 1 7 7 LEU H H 7 8.340 8.340 8.483 -0.143 18788 8295 1 12 . 1 1 8 8 HIS N N 8 119.200 119.200 113.895 5.305 18788 8296 1 12 . 1 1 8 8 HIS HA H 8 4.990 4.990 4.822 0.168 18788 8297 1 12 . 1 1 8 8 HIS C C 8 173.700 173.700 173.593 0.107 18788 8298 1 12 . 1 1 8 8 HIS CA C 8 55.300 55.300 54.342 0.958 18788 8299 1 12 . 1 1 8 8 HIS CB C 8 32.200 32.200 32.095 0.105 18788 8300 1 12 . 1 1 8 8 HIS H H 8 8.860 8.860 8.422 0.438 18788 8301 1 12 . 1 1 9 9 LYS N N 9 124.000 124.000 125.165 -1.165 18788 8302 1 12 . 1 1 9 9 LYS HA H 9 4.840 4.840 4.703 0.137 18788 8303 1 12 . 1 1 9 9 LYS C C 9 176.400 176.400 176.091 0.309 18788 8304 1 12 . 1 1 9 9 LYS CA C 9 55.700 55.700 55.624 0.076 18788 8305 1 12 . 1 1 9 9 LYS CB C 9 34.700 34.700 33.645 1.055 18788 8306 1 12 . 1 1 9 9 LYS H H 9 8.480 8.480 8.558 -0.078 18788 8307 1 12 . 1 1 10 10 GLU N N 10 123.100 123.100 123.769 -0.669 18788 8308 1 12 . 1 1 10 10 GLU HA H 10 5.060 5.060 4.983 0.077 18788 8309 1 12 . 1 1 10 10 GLU C C 10 173.200 173.200 174.551 -1.351 18788 8310 1 12 . 1 1 10 10 GLU CA C 10 53.400 53.400 52.796 0.604 18788 8311 1 12 . 1 1 10 10 GLU CB C 10 33.000 33.000 31.588 1.411 18788 8312 1 12 . 1 1 10 10 GLU H H 10 9.390 9.390 8.776 0.614 18788 8313 1 12 . 1 1 11 11 PRO HA H 11 4.900 4.900 4.663 0.237 18788 8314 1 12 . 1 1 11 11 PRO C C 11 175.400 175.400 175.536 -0.136 18788 8315 1 12 . 1 1 11 11 PRO CA C 11 63.100 63.100 63.091 0.009 18788 8316 1 12 . 1 1 11 11 PRO CB C 11 33.000 33.000 31.991 1.009 18788 8317 1 12 . 1 1 12 12 ALA N N 12 119.700 119.700 126.007 -6.307 18788 8318 1 12 . 1 1 12 12 ALA HA H 12 4.990 4.990 5.259 -0.269 18788 8319 1 12 . 1 1 12 12 ALA C C 12 175.400 175.400 175.748 -0.348 18788 8320 1 12 . 1 1 12 12 ALA CA C 12 51.600 51.600 50.345 1.255 18788 8321 1 12 . 1 1 12 12 ALA CB C 12 24.600 24.600 23.307 1.293 18788 8322 1 12 . 1 1 12 12 ALA H H 12 8.070 8.070 8.978 -0.908 18788 8323 1 12 . 1 1 13 13 THR N N 13 109.100 109.100 114.072 -4.972 18788 8324 1 12 . 1 1 13 13 THR HA H 13 4.700 4.700 4.728 -0.028 18788 8325 1 12 . 1 1 13 13 THR C C 13 174.000 174.000 173.060 0.940 18788 8326 1 12 . 1 1 13 13 THR CA C 13 60.700 60.700 61.369 -0.669 18788 8327 1 12 . 1 1 13 13 THR CB C 13 71.600 71.600 72.525 -0.925 18788 8328 1 12 . 1 1 13 13 THR H H 13 8.090 8.090 8.060 0.030 18788 8329 1 12 . 1 1 14 14 LEU N N 14 125.200 125.200 126.564 -1.364 18788 8330 1 12 . 1 1 14 14 LEU HA H 14 4.140 4.140 4.278 -0.138 18788 8331 1 12 . 1 1 14 14 LEU C C 14 176.700 176.700 175.767 0.933 18788 8332 1 12 . 1 1 14 14 LEU CA C 14 56.800 56.800 55.575 1.226 18788 8333 1 12 . 1 1 14 14 LEU CB C 14 42.900 42.900 43.215 -0.315 18788 8334 1 12 . 1 1 14 14 LEU H H 14 9.150 9.150 8.843 0.307 18788 8335 1 12 . 1 1 15 15 ILE N N 15 125.200 125.200 124.611 0.589 18788 8336 1 12 . 1 1 15 15 ILE HA H 15 4.220 4.220 4.327 -0.107 18788 8337 1 12 . 1 1 15 15 ILE C C 15 175.900 175.900 176.134 -0.234 18788 8338 1 12 . 1 1 15 15 ILE CA C 15 64.300 64.300 62.595 1.705 18788 8339 1 12 . 1 1 15 15 ILE CB C 15 38.700 38.700 39.683 -0.983 18788 8340 1 12 . 1 1 15 15 ILE H H 15 8.460 8.460 8.673 -0.213 18788 8341 1 12 . 1 1 16 16 LYS N N 16 114.100 114.100 117.512 -3.412 18788 8342 1 12 . 1 1 16 16 LYS HA H 16 4.460 4.460 4.655 -0.195 18788 8343 1 12 . 1 1 16 16 LYS C C 16 174.000 174.000 174.323 -0.323 18788 8344 1 12 . 1 1 16 16 LYS CA C 16 56.600 56.600 54.273 2.327 18788 8345 1 12 . 1 1 16 16 LYS CB C 16 35.300 35.300 36.477 -1.177 18788 8346 1 12 . 1 1 16 16 LYS H H 16 8.050 8.050 8.311 -0.261 18788 8347 1 12 . 1 1 17 17 ALA N N 17 129.100 129.100 126.021 3.079 18788 8348 1 12 . 1 1 17 17 ALA HA H 17 4.480 4.480 4.441 0.039 18788 8349 1 12 . 1 1 17 17 ALA C C 17 175.700 175.700 176.700 -1.000 18788 8350 1 12 . 1 1 17 17 ALA CA C 17 52.300 52.300 51.610 0.690 18788 8351 1 12 . 1 1 17 17 ALA CB C 17 18.200 18.200 19.273 -1.073 18788 8352 1 12 . 1 1 17 17 ALA H H 17 9.470 9.470 8.641 0.829 18788 8353 1 12 . 1 1 18 18 ILE N N 18 123.500 123.500 123.625 -0.125 18788 8354 1 12 . 1 1 18 18 ILE HA H 18 4.110 4.110 4.336 -0.226 18788 8355 1 12 . 1 1 18 18 ILE C C 18 175.100 175.100 176.607 -1.507 18788 8356 1 12 . 1 1 18 18 ILE CA C 18 63.200 63.200 61.493 1.707 18788 8357 1 12 . 1 1 18 18 ILE CB C 18 37.800 37.800 38.706 -0.906 18788 8358 1 12 . 1 1 18 18 ILE H H 18 8.070 8.070 8.640 -0.570 18788 8359 1 12 . 1 1 19 19 ASP N N 19 120.500 120.500 116.857 3.643 18788 8360 1 12 . 1 1 19 19 ASP HA H 19 4.730 4.730 4.765 -0.035 18788 8361 1 12 . 1 1 19 19 ASP C C 19 176.800 176.800 177.230 -0.430 18788 8362 1 12 . 1 1 19 19 ASP CA C 19 53.400 53.400 53.815 -0.414 18788 8363 1 12 . 1 1 19 19 ASP CB C 19 40.100 40.100 43.224 -3.124 18788 8364 1 12 . 1 1 19 19 ASP H H 19 8.290 8.290 8.149 0.141 18788 8365 1 12 . 1 1 20 20 GLY N N 20 103.500 103.500 107.630 -4.130 18788 8366 1 12 . 1 1 20 20 GLY C C 20 173.300 173.300 175.175 -1.875 18788 8367 1 12 . 1 1 20 20 GLY CA C 20 47.700 47.700 47.570 0.130 18788 8368 1 12 . 1 1 20 20 GLY H H 20 8.460 8.460 8.598 -0.138 18788 8369 1 12 . 1 1 21 21 ASP N N 21 111.200 111.200 120.376 -9.176 18788 8370 1 12 . 1 1 21 21 ASP HA H 21 4.850 4.850 4.695 0.155 18788 8371 1 12 . 1 1 21 21 ASP C C 21 175.300 175.300 176.026 -0.726 18788 8372 1 12 . 1 1 21 21 ASP CA C 21 52.100 52.100 54.787 -2.687 18788 8373 1 12 . 1 1 21 21 ASP CB C 21 40.600 40.600 41.873 -1.273 18788 8374 1 12 . 1 1 21 21 ASP H H 21 7.640 7.640 7.972 -0.332 18788 8375 1 12 . 1 1 22 22 THR N N 22 113.200 113.200 118.415 -5.215 18788 8376 1 12 . 1 1 22 22 THR HA H 22 5.700 5.700 5.286 0.414 18788 8377 1 12 . 1 1 22 22 THR C C 22 174.000 174.000 173.837 0.163 18788 8378 1 12 . 1 1 22 22 THR CA C 22 61.000 61.000 62.820 -1.820 18788 8379 1 12 . 1 1 22 22 THR CB C 22 71.800 71.800 69.608 2.192 18788 8380 1 12 . 1 1 22 22 THR H H 22 7.610 7.610 7.915 -0.305 18788 8381 1 12 . 1 1 23 23 VAL N N 23 118.000 118.000 120.899 -2.899 18788 8382 1 12 . 1 1 23 23 VAL HA H 23 4.620 4.620 4.767 -0.147 18788 8383 1 12 . 1 1 23 23 VAL C C 23 172.100 172.100 173.356 -1.256 18788 8384 1 12 . 1 1 23 23 VAL CA C 23 60.100 60.100 59.837 0.263 18788 8385 1 12 . 1 1 23 23 VAL CB C 23 36.200 36.200 35.411 0.789 18788 8386 1 12 . 1 1 23 23 VAL H H 23 8.910 8.910 9.014 -0.104 18788 8387 1 12 . 1 1 24 24 LYS N N 24 127.000 127.000 122.645 4.355 18788 8388 1 12 . 1 1 24 24 LYS HA H 24 5.440 5.440 5.153 0.287 18788 8389 1 12 . 1 1 24 24 LYS C C 24 175.200 175.200 174.991 0.209 18788 8390 1 12 . 1 1 24 24 LYS CA C 24 55.600 55.600 55.062 0.538 18788 8391 1 12 . 1 1 24 24 LYS CB C 24 34.400 34.400 34.297 0.103 18788 8392 1 12 . 1 1 24 24 LYS H H 24 9.470 9.470 9.041 0.429 18788 8393 1 12 . 1 1 25 25 LEU N N 25 127.000 127.000 122.775 4.225 18788 8394 1 12 . 1 1 25 25 LEU HA H 25 5.210 5.210 4.979 0.231 18788 8395 1 12 . 1 1 25 25 LEU C C 25 174.500 174.500 174.790 -0.290 18788 8396 1 12 . 1 1 25 25 LEU CA C 25 53.100 53.100 52.886 0.214 18788 8397 1 12 . 1 1 25 25 LEU CB C 25 45.500 45.500 45.116 0.384 18788 8398 1 12 . 1 1 25 25 LEU H H 25 9.380 9.380 9.127 0.253 18788 8399 1 12 . 1 1 26 26 MET N N 26 122.000 122.000 119.461 2.539 18788 8400 1 12 . 1 1 26 26 MET HA H 26 4.880 4.880 4.850 0.030 18788 8401 1 12 . 1 1 26 26 MET C C 26 175.100 175.100 174.354 0.746 18788 8402 1 12 . 1 1 26 26 MET CA C 26 54.700 54.700 55.260 -0.559 18788 8403 1 12 . 1 1 26 26 MET CB C 26 31.400 31.400 33.611 -2.211 18788 8404 1 12 . 1 1 26 26 MET H H 26 9.530 9.530 8.899 0.631 18788 8405 1 12 . 1 1 27 27 TYR N N 27 129.600 129.600 129.192 0.408 18788 8406 1 12 . 1 1 27 27 TYR HA H 27 5.050 5.050 4.879 0.171 18788 8407 1 12 . 1 1 27 27 TYR C C 27 173.900 173.900 175.098 -1.198 18788 8408 1 12 . 1 1 27 27 TYR CA C 27 57.000 57.000 56.968 0.033 18788 8409 1 12 . 1 1 27 27 TYR CB C 27 41.700 41.700 40.656 1.044 18788 8410 1 12 . 1 1 27 27 TYR H H 27 9.040 9.040 9.407 -0.367 18788 8411 1 12 . 1 1 28 28 LYS N N 28 127.600 127.600 128.010 -0.410 18788 8412 1 12 . 1 1 28 28 LYS HA H 28 3.590 3.590 3.727 -0.137 18788 8413 1 12 . 1 1 28 28 LYS C C 28 176.900 176.900 175.978 0.922 18788 8414 1 12 . 1 1 28 28 LYS CA C 28 57.100 57.100 57.109 -0.009 18788 8415 1 12 . 1 1 28 28 LYS CB C 28 29.700 29.700 30.472 -0.772 18788 8416 1 12 . 1 1 28 28 LYS H H 28 9.310 9.310 9.150 0.160 18788 8417 1 12 . 1 1 29 29 GLY N N 29 102.400 102.400 102.433 -0.033 18788 8418 1 12 . 1 1 29 29 GLY C C 29 173.600 173.600 174.248 -0.648 18788 8419 1 12 . 1 1 29 29 GLY CA C 29 45.600 45.600 45.048 0.552 18788 8420 1 12 . 1 1 29 29 GLY H H 29 8.450 8.450 8.617 -0.167 18788 8421 1 12 . 1 1 30 30 GLN N N 30 119.300 119.300 119.553 -0.253 18788 8422 1 12 . 1 1 30 30 GLN HA H 30 5.030 5.030 4.902 0.128 18788 8423 1 12 . 1 1 30 30 GLN C C 30 173.200 173.200 173.387 -0.187 18788 8424 1 12 . 1 1 30 30 GLN CA C 30 52.200 52.200 52.038 0.162 18788 8425 1 12 . 1 1 30 30 GLN CB C 30 31.200 31.200 29.043 2.157 18788 8426 1 12 . 1 1 30 30 GLN H H 30 7.820 7.820 8.005 -0.185 18788 8427 1 12 . 1 1 31 31 PRO HA H 31 4.880 4.880 4.750 0.130 18788 8428 1 12 . 1 1 31 31 PRO C C 31 177.400 177.400 176.256 1.144 18788 8429 1 12 . 1 1 31 31 PRO CA C 31 62.600 62.600 63.370 -0.770 18788 8430 1 12 . 1 1 31 31 PRO CB C 31 31.900 31.900 32.085 -0.185 18788 8431 1 12 . 1 1 32 32 MET N N 32 125.700 125.700 125.643 0.057 18788 8432 1 12 . 1 1 32 32 MET HA H 32 4.670 4.670 4.951 -0.281 18788 8433 1 12 . 1 1 32 32 MET C C 32 174.600 174.600 174.221 0.379 18788 8434 1 12 . 1 1 32 32 MET CA C 32 55.800 55.800 55.107 0.693 18788 8435 1 12 . 1 1 32 32 MET CB C 32 37.200 37.200 37.359 -0.159 18788 8436 1 12 . 1 1 32 32 MET H H 32 9.570 9.570 9.405 0.165 18788 8437 1 12 . 1 1 33 33 THR N N 33 123.600 123.600 122.913 0.687 18788 8438 1 12 . 1 1 33 33 THR HA H 33 4.510 4.510 4.969 -0.459 18788 8439 1 12 . 1 1 33 33 THR C C 33 173.100 173.100 173.879 -0.779 18788 8440 1 12 . 1 1 33 33 THR CA C 33 64.300 64.300 63.051 1.249 18788 8441 1 12 . 1 1 33 33 THR CB C 33 68.800 68.800 69.369 -0.569 18788 8442 1 12 . 1 1 33 33 THR H H 33 8.990 8.990 8.569 0.421 18788 8443 1 12 . 1 1 34 34 PHE N N 34 126.100 126.100 126.486 -0.386 18788 8444 1 12 . 1 1 34 34 PHE HA H 34 4.890 4.890 5.269 -0.379 18788 8445 1 12 . 1 1 34 34 PHE C C 34 173.400 173.400 174.075 -0.675 18788 8446 1 12 . 1 1 34 34 PHE CA C 34 57.300 57.300 56.926 0.374 18788 8447 1 12 . 1 1 34 34 PHE CB C 34 41.900 41.900 42.852 -0.952 18788 8448 1 12 . 1 1 34 34 PHE H H 34 9.610 9.610 9.599 0.011 18788 8449 1 12 . 1 1 35 35 ARG N N 35 124.200 124.200 120.667 3.533 18788 8450 1 12 . 1 1 35 35 ARG HA H 35 5.080 5.080 5.118 -0.038 18788 8451 1 12 . 1 1 35 35 ARG C C 35 174.600 174.600 173.484 1.116 18788 8452 1 12 . 1 1 35 35 ARG CA C 35 52.100 52.100 54.537 -2.437 18788 8453 1 12 . 1 1 35 35 ARG CB C 35 33.600 33.600 35.659 -2.059 18788 8454 1 12 . 1 1 35 35 ARG H H 35 9.640 9.640 9.170 0.470 18788 8455 1 12 . 1 1 38 38 LEU HA H 38 4.330 4.330 4.218 0.112 18788 8456 1 12 . 1 1 38 38 LEU C C 38 175.200 175.200 176.494 -1.294 18788 8457 1 12 . 1 1 38 38 LEU CA C 38 56.600 56.600 55.935 0.665 18788 8458 1 12 . 1 1 38 38 LEU CB C 38 40.100 40.100 41.298 -1.198 18788 8459 1 12 . 1 1 39 39 VAL N N 39 104.500 104.500 110.369 -5.869 18788 8460 1 12 . 1 1 39 39 VAL HA H 39 5.580 5.580 4.584 0.996 18788 8461 1 12 . 1 1 39 39 VAL C C 39 175.600 175.600 174.117 1.483 18788 8462 1 12 . 1 1 39 39 VAL CA C 39 57.800 57.800 59.043 -1.243 18788 8463 1 12 . 1 1 39 39 VAL CB C 39 36.400 36.400 36.034 0.366 18788 8464 1 12 . 1 1 39 39 VAL H H 39 6.920 6.920 7.099 -0.179 18788 8465 1 12 . 1 1 40 40 ASP N N 40 121.500 121.500 119.623 1.877 18788 8466 1 12 . 1 1 40 40 ASP HA H 40 5.260 5.260 5.054 0.206 18788 8467 1 12 . 1 1 40 40 ASP C C 40 174.600 174.600 174.685 -0.085 18788 8468 1 12 . 1 1 40 40 ASP CA C 40 54.100 54.100 53.521 0.579 18788 8469 1 12 . 1 1 40 40 ASP CB C 40 44.100 44.100 45.047 -0.947 18788 8470 1 12 . 1 1 40 40 ASP H H 40 8.880 8.880 9.169 -0.289 18788 8471 1 12 . 1 1 41 41 THR N N 41 118.700 118.700 116.267 2.433 18788 8472 1 12 . 1 1 41 41 THR HA H 41 5.020 5.020 4.787 0.233 18788 8473 1 12 . 1 1 41 41 THR CA C 41 58.300 58.300 58.767 -0.467 18788 8474 1 12 . 1 1 41 41 THR CB C 41 68.900 68.900 69.255 -0.355 18788 8475 1 12 . 1 1 41 41 THR H H 41 8.520 8.520 8.314 0.206 18788 8476 1 12 . 1 1 42 42 PRO HA H 42 4.440 4.440 4.471 -0.031 18788 8477 1 12 . 1 1 42 42 PRO CA C 42 62.200 62.200 62.923 -0.723 18788 8478 1 12 . 1 1 42 42 PRO CB C 42 32.300 32.300 30.913 1.387 18788 8479 1 12 . 1 1 50 50 GLY C C 50 179.800 179.800 174.984 4.816 18788 8480 1 12 . 1 1 51 51 VAL N N 51 119.200 119.200 119.357 -0.157 18788 8481 1 12 . 1 1 51 51 VAL HA H 51 4.160 4.160 4.076 0.084 18788 8482 1 12 . 1 1 51 51 VAL C C 51 178.600 178.600 175.717 2.883 18788 8483 1 12 . 1 1 51 51 VAL CA C 51 63.500 63.500 63.378 0.122 18788 8484 1 12 . 1 1 51 51 VAL H H 51 7.820 7.820 8.087 -0.267 18788 8485 1 12 . 1 1 54 54 TYR C C 54 176.300 176.300 176.895 -0.595 18788 8486 1 12 . 1 1 55 55 GLY N N 55 108.900 108.900 108.753 0.147 18788 8487 1 12 . 1 1 55 55 GLY C C 55 174.300 174.300 171.994 2.306 18788 8488 1 12 . 1 1 55 55 GLY CA C 55 48.400 48.400 43.210 5.190 18788 8489 1 12 . 1 1 55 55 GLY H H 55 8.810 8.810 8.155 0.655 18788 8490 1 12 . 1 1 57 57 GLU HA H 57 4.010 4.010 4.234 -0.224 18788 8491 1 12 . 1 1 57 57 GLU C C 57 179.500 179.500 177.654 1.846 18788 8492 1 12 . 1 1 57 57 GLU CA C 57 61.700 61.700 54.610 7.090 18788 8493 1 12 . 1 1 58 58 ALA N N 58 125.000 125.000 123.529 1.471 18788 8494 1 12 . 1 1 58 58 ALA HA H 58 4.170 4.170 4.048 0.122 18788 8495 1 12 . 1 1 58 58 ALA C C 58 178.700 178.700 179.634 -0.934 18788 8496 1 12 . 1 1 58 58 ALA CA C 58 55.800 55.800 55.839 -0.039 18788 8497 1 12 . 1 1 58 58 ALA CB C 58 18.200 18.200 18.326 -0.126 18788 8498 1 12 . 1 1 58 58 ALA H H 58 8.940 8.940 8.801 0.139 18788 8499 1 12 . 1 1 59 59 SER N N 59 111.900 111.900 114.333 -2.433 18788 8500 1 12 . 1 1 59 59 SER HA H 59 3.740 3.740 4.282 -0.542 18788 8501 1 12 . 1 1 59 59 SER C C 59 177.100 177.100 176.620 0.480 18788 8502 1 12 . 1 1 59 59 SER CA C 59 62.000 62.000 61.438 0.562 18788 8503 1 12 . 1 1 59 59 SER CB C 59 62.900 62.900 62.992 -0.092 18788 8504 1 12 . 1 1 59 59 SER H H 59 8.340 8.340 8.564 -0.224 18788 8505 1 12 . 1 1 60 60 ALA N N 60 122.900 122.900 124.252 -1.352 18788 8506 1 12 . 1 1 60 60 ALA HA H 60 4.070 4.070 4.323 -0.253 18788 8507 1 12 . 1 1 60 60 ALA C C 60 179.100 179.100 179.246 -0.146 18788 8508 1 12 . 1 1 60 60 ALA CA C 60 55.100 55.100 54.543 0.557 18788 8509 1 12 . 1 1 60 60 ALA CB C 60 18.200 18.200 18.459 -0.259 18788 8510 1 12 . 1 1 60 60 ALA H H 60 8.440 8.440 7.642 0.798 18788 8511 1 12 . 1 1 61 61 PHE N N 61 121.700 121.700 119.705 1.995 18788 8512 1 12 . 1 1 61 61 PHE HA H 61 4.050 4.050 4.260 -0.210 18788 8513 1 12 . 1 1 61 61 PHE C C 61 178.100 178.100 177.404 0.696 18788 8514 1 12 . 1 1 61 61 PHE CA C 61 61.800 61.800 61.059 0.741 18788 8515 1 12 . 1 1 61 61 PHE CB C 61 39.800 39.800 39.422 0.377 18788 8516 1 12 . 1 1 61 61 PHE H H 61 8.190 8.190 8.917 -0.727 18788 8517 1 12 . 1 1 62 62 THR N N 62 120.200 120.200 116.021 4.179 18788 8518 1 12 . 1 1 62 62 THR HA H 62 3.560 3.560 3.706 -0.146 18788 8519 1 12 . 1 1 62 62 THR C C 62 175.300 175.300 176.146 -0.846 18788 8520 1 12 . 1 1 62 62 THR CA C 62 67.600 67.600 67.211 0.389 18788 8521 1 12 . 1 1 62 62 THR CB C 62 68.400 68.400 68.638 -0.238 18788 8522 1 12 . 1 1 62 62 THR H H 62 8.540 8.540 8.650 -0.110 18788 8523 1 12 . 1 1 63 63 LYS N N 63 120.000 120.000 121.457 -1.457 18788 8524 1 12 . 1 1 63 63 LYS HA H 63 3.560 3.560 3.917 -0.357 18788 8525 1 12 . 1 1 63 63 LYS C C 63 176.800 176.800 178.658 -1.858 18788 8526 1 12 . 1 1 63 63 LYS CA C 63 60.400 60.400 59.624 0.776 18788 8527 1 12 . 1 1 63 63 LYS CB C 63 33.300 33.300 32.485 0.815 18788 8528 1 12 . 1 1 63 63 LYS H H 63 7.910 7.910 7.473 0.437 18788 8529 1 12 . 1 1 64 64 LYS N N 64 117.200 117.200 119.103 -1.903 18788 8530 1 12 . 1 1 64 64 LYS HA H 64 3.940 3.940 4.248 -0.308 18788 8531 1 12 . 1 1 64 64 LYS C C 64 178.700 178.700 179.248 -0.548 18788 8532 1 12 . 1 1 64 64 LYS CA C 64 59.200 59.200 58.665 0.535 18788 8533 1 12 . 1 1 64 64 LYS CB C 64 31.900 31.900 32.157 -0.257 18788 8534 1 12 . 1 1 64 64 LYS H H 64 8.000 8.000 8.107 -0.107 18788 8535 1 12 . 1 1 65 65 MET N N 65 116.200 116.200 117.138 -0.938 18788 8536 1 12 . 1 1 65 65 MET HA H 65 3.890 3.890 4.148 -0.258 18788 8537 1 12 . 1 1 65 65 MET C C 65 179.200 179.200 178.140 1.060 18788 8538 1 12 . 1 1 65 65 MET CA C 65 59.800 59.800 58.946 0.854 18788 8539 1 12 . 1 1 65 65 MET CB C 65 32.200 32.200 32.516 -0.316 18788 8540 1 12 . 1 1 65 65 MET H H 65 7.680 7.680 7.557 0.123 18788 8541 1 12 . 1 1 66 66 VAL N N 66 107.700 107.700 114.379 -6.679 18788 8542 1 12 . 1 1 66 66 VAL HA H 66 4.150 4.150 3.837 0.313 18788 8543 1 12 . 1 1 66 66 VAL C C 66 177.500 177.500 177.933 -0.433 18788 8544 1 12 . 1 1 66 66 VAL CA C 66 64.300 64.300 64.905 -0.605 18788 8545 1 12 . 1 1 66 66 VAL CB C 66 31.100 31.100 31.592 -0.492 18788 8546 1 12 . 1 1 66 66 VAL H H 66 8.220 8.220 7.851 0.369 18788 8547 1 12 . 1 1 67 67 GLU N N 67 121.000 121.000 118.736 2.264 18788 8548 1 12 . 1 1 67 67 GLU HA H 67 3.960 3.960 4.123 -0.163 18788 8549 1 12 . 1 1 67 67 GLU C C 67 178.000 178.000 177.619 0.381 18788 8550 1 12 . 1 1 67 67 GLU CA C 67 59.200 59.200 58.878 0.322 18788 8551 1 12 . 1 1 67 67 GLU CB C 67 29.100 29.100 29.861 -0.761 18788 8552 1 12 . 1 1 67 67 GLU H H 67 8.750 8.750 8.016 0.734 18788 8553 1 12 . 1 1 68 68 ASN N N 68 113.400 113.400 115.394 -1.994 18788 8554 1 12 . 1 1 68 68 ASN HA H 68 4.660 4.660 4.732 -0.072 18788 8555 1 12 . 1 1 68 68 ASN C C 68 174.600 174.600 174.281 0.319 18788 8556 1 12 . 1 1 68 68 ASN CA C 68 53.400 53.400 53.681 -0.281 18788 8557 1 12 . 1 1 68 68 ASN CB C 68 38.900 38.900 39.347 -0.447 18788 8558 1 12 . 1 1 68 68 ASN H H 68 7.400 7.400 7.668 -0.268 18788 8559 1 12 . 1 1 69 69 ALA N N 69 121.100 121.100 122.549 -1.449 18788 8560 1 12 . 1 1 69 69 ALA HA H 69 4.490 4.490 4.454 0.036 18788 8561 1 12 . 1 1 69 69 ALA C C 69 177.800 177.800 178.025 -0.225 18788 8562 1 12 . 1 1 69 69 ALA CA C 69 51.400 51.400 52.216 -0.816 18788 8563 1 12 . 1 1 69 69 ALA CB C 69 19.200 19.200 19.597 -0.397 18788 8564 1 12 . 1 1 69 69 ALA H H 69 6.680 6.680 6.902 -0.222 18788 8565 1 12 . 1 1 70 70 LYS N N 70 125.700 125.700 121.386 4.314 18788 8566 1 12 . 1 1 70 70 LYS HA H 70 4.370 4.370 4.133 0.237 18788 8567 1 12 . 1 1 70 70 LYS C C 70 177.800 177.800 176.675 1.125 18788 8568 1 12 . 1 1 70 70 LYS CA C 70 57.800 57.800 57.703 0.097 18788 8569 1 12 . 1 1 70 70 LYS CB C 70 32.000 32.000 32.621 -0.621 18788 8570 1 12 . 1 1 70 70 LYS H H 70 10.130 10.130 8.590 1.540 18788 8571 1 12 . 1 1 71 71 LYS N N 71 121.300 121.300 116.365 4.935 18788 8572 1 12 . 1 1 71 71 LYS HA H 71 4.660 4.660 4.490 0.170 18788 8573 1 12 . 1 1 71 71 LYS C C 71 174.600 174.600 174.546 0.054 18788 8574 1 12 . 1 1 71 71 LYS CA C 71 55.500 55.500 55.367 0.133 18788 8575 1 12 . 1 1 71 71 LYS CB C 71 35.400 35.400 35.132 0.268 18788 8576 1 12 . 1 1 71 71 LYS H H 71 8.920 8.920 7.499 1.421 18788 8577 1 12 . 1 1 72 72 ILE N N 72 128.900 128.900 124.346 4.554 18788 8578 1 12 . 1 1 72 72 ILE HA H 72 5.240 5.240 5.249 -0.009 18788 8579 1 12 . 1 1 72 72 ILE C C 72 175.300 175.300 174.824 0.476 18788 8580 1 12 . 1 1 72 72 ILE CA C 72 58.700 58.700 60.131 -1.431 18788 8581 1 12 . 1 1 72 72 ILE CB C 72 38.100 38.100 39.776 -1.676 18788 8582 1 12 . 1 1 72 72 ILE H H 72 8.960 8.960 8.734 0.226 18788 8583 1 12 . 1 1 73 73 GLU N N 73 123.100 123.100 126.966 -3.866 18788 8584 1 12 . 1 1 73 73 GLU HA H 73 5.240 5.240 5.268 -0.028 18788 8585 1 12 . 1 1 73 73 GLU C C 73 174.900 174.900 175.624 -0.724 18788 8586 1 12 . 1 1 73 73 GLU CA C 73 53.600 53.600 54.079 -0.479 18788 8587 1 12 . 1 1 73 73 GLU CB C 73 36.200 36.200 33.849 2.351 18788 8588 1 12 . 1 1 73 73 GLU H H 73 8.810 8.810 9.027 -0.217 18788 8589 1 12 . 1 1 74 74 VAL N N 74 117.300 117.300 117.856 -0.556 18788 8590 1 12 . 1 1 74 74 VAL HA H 74 4.550 4.550 4.739 -0.189 18788 8591 1 12 . 1 1 74 74 VAL C C 74 174.000 174.000 174.365 -0.365 18788 8592 1 12 . 1 1 74 74 VAL CA C 74 59.500 59.500 59.694 -0.194 18788 8593 1 12 . 1 1 74 74 VAL CB C 74 34.200 34.200 32.803 1.397 18788 8594 1 12 . 1 1 74 74 VAL H H 74 9.510 9.510 8.972 0.538 18788 8595 1 12 . 1 1 75 75 GLU N N 75 126.900 126.900 128.092 -1.192 18788 8596 1 12 . 1 1 75 75 GLU HA H 75 5.160 5.160 5.049 0.111 18788 8597 1 12 . 1 1 75 75 GLU C C 75 175.600 175.600 175.651 -0.051 18788 8598 1 12 . 1 1 75 75 GLU CA C 75 54.500 54.500 53.962 0.538 18788 8599 1 12 . 1 1 75 75 GLU CB C 75 35.900 35.900 32.092 3.808 18788 8600 1 12 . 1 1 75 75 GLU H H 75 8.860 8.860 9.141 -0.281 18788 8601 1 12 . 1 1 76 76 PHE N N 76 126.400 126.400 127.422 -1.022 18788 8602 1 12 . 1 1 76 76 PHE HA H 76 4.740 4.740 5.129 -0.389 18788 8603 1 12 . 1 1 76 76 PHE C C 76 175.600 175.600 176.065 -0.465 18788 8604 1 12 . 1 1 76 76 PHE CA C 76 59.500 59.500 58.735 0.765 18788 8605 1 12 . 1 1 76 76 PHE CB C 76 39.700 39.700 40.050 -0.350 18788 8606 1 12 . 1 1 76 76 PHE H H 76 8.770 8.770 8.608 0.162 18788 8607 1 12 . 1 1 77 77 ASP N N 77 123.000 123.000 122.241 0.759 18788 8608 1 12 . 1 1 77 77 ASP HA H 77 5.310 5.310 5.034 0.276 18788 8609 1 12 . 1 1 77 77 ASP C C 77 177.600 177.600 176.628 0.972 18788 8610 1 12 . 1 1 77 77 ASP CA C 77 51.800 51.800 53.871 -2.071 18788 8611 1 12 . 1 1 77 77 ASP CB C 77 42.900 42.900 43.464 -0.564 18788 8612 1 12 . 1 1 77 77 ASP H H 77 9.310 9.310 8.673 0.637 18788 8613 1 12 . 1 1 78 78 LYS N N 78 119.100 119.100 119.216 -0.116 18788 8614 1 12 . 1 1 78 78 LYS HA H 78 4.240 4.240 4.352 -0.112 18788 8615 1 12 . 1 1 78 78 LYS C C 78 177.100 177.100 177.199 -0.099 18788 8616 1 12 . 1 1 78 78 LYS CA C 78 57.700 57.700 57.823 -0.123 18788 8617 1 12 . 1 1 78 78 LYS CB C 78 33.400 33.400 32.471 0.929 18788 8618 1 12 . 1 1 78 78 LYS H H 78 10.360 10.360 8.520 1.840 18788 8619 1 12 . 1 1 79 79 GLY N N 79 111.100 111.100 109.019 2.081 18788 8620 1 12 . 1 1 79 79 GLY C C 79 173.600 173.600 173.691 -0.091 18788 8621 1 12 . 1 1 79 79 GLY CA C 79 44.500 44.500 44.498 0.002 18788 8622 1 12 . 1 1 79 79 GLY H H 79 8.680 8.680 7.823 0.857 18788 8623 1 12 . 1 1 80 80 GLN N N 80 124.800 124.800 120.935 3.865 18788 8624 1 12 . 1 1 80 80 GLN HA H 80 4.140 4.140 4.423 -0.283 18788 8625 1 12 . 1 1 80 80 GLN C C 80 176.900 176.900 175.855 1.045 18788 8626 1 12 . 1 1 80 80 GLN CA C 80 57.200 57.200 55.804 1.396 18788 8627 1 12 . 1 1 80 80 GLN CB C 80 29.200 29.200 30.027 -0.827 18788 8628 1 12 . 1 1 80 80 GLN H H 80 8.800 8.800 8.684 0.116 18788 8629 1 12 . 1 1 81 81 ARG N N 81 120.700 120.700 122.040 -1.340 18788 8630 1 12 . 1 1 81 81 ARG HA H 81 4.620 4.620 4.271 0.349 18788 8631 1 12 . 1 1 81 81 ARG C C 81 176.200 176.200 175.436 0.764 18788 8632 1 12 . 1 1 81 81 ARG CA C 81 57.500 57.500 57.580 -0.080 18788 8633 1 12 . 1 1 81 81 ARG CB C 81 32.000 32.000 30.783 1.217 18788 8634 1 12 . 1 1 81 81 ARG H H 81 8.640 8.640 8.584 0.056 18788 8635 1 12 . 1 1 82 82 THR N N 82 107.900 107.900 107.178 0.722 18788 8636 1 12 . 1 1 82 82 THR HA H 82 5.540 5.540 4.711 0.829 18788 8637 1 12 . 1 1 82 82 THR C C 82 174.600 174.600 173.221 1.379 18788 8638 1 12 . 1 1 82 82 THR CA C 82 58.400 58.400 59.230 -0.830 18788 8639 1 12 . 1 1 82 82 THR CB C 82 72.500 72.500 72.228 0.272 18788 8640 1 12 . 1 1 82 82 THR H H 82 7.300 7.300 7.309 -0.009 18788 8641 1 12 . 1 1 83 83 ASP N N 83 121.300 121.300 122.369 -1.069 18788 8642 1 12 . 1 1 83 83 ASP HA H 83 4.660 4.660 4.604 0.056 18788 8643 1 12 . 1 1 83 83 ASP C C 83 179.000 179.000 178.076 0.924 18788 8644 1 12 . 1 1 83 83 ASP CA C 83 51.700 51.700 53.181 -1.481 18788 8645 1 12 . 1 1 83 83 ASP CB C 83 42.100 42.100 42.808 -0.708 18788 8646 1 12 . 1 1 83 83 ASP H H 83 8.590 8.590 8.925 -0.335 18788 8647 1 12 . 1 1 85 85 TYR N N 85 119.300 119.300 116.732 2.568 18788 8648 1 12 . 1 1 85 85 TYR HA H 85 4.600 4.600 4.477 0.123 18788 8649 1 12 . 1 1 85 85 TYR C C 85 176.100 176.100 176.586 -0.486 18788 8650 1 12 . 1 1 85 85 TYR CA C 85 57.100 57.100 57.861 -0.761 18788 8651 1 12 . 1 1 85 85 TYR CB C 85 37.900 37.900 38.313 -0.413 18788 8652 1 12 . 1 1 85 85 TYR H H 85 7.650 7.650 7.928 -0.278 18788 8653 1 12 . 1 1 86 86 GLY N N 86 108.500 108.500 105.734 2.766 18788 8654 1 12 . 1 1 86 86 GLY C C 86 174.400 174.400 173.951 0.449 18788 8655 1 12 . 1 1 86 86 GLY CA C 86 45.400 45.400 44.866 0.534 18788 8656 1 12 . 1 1 86 86 GLY H H 86 8.120 8.120 7.818 0.302 18788 8657 1 12 . 1 1 87 87 ARG N N 87 121.600 121.600 122.453 -0.853 18788 8658 1 12 . 1 1 87 87 ARG HA H 87 4.430 4.430 4.261 0.169 18788 8659 1 12 . 1 1 87 87 ARG C C 87 177.000 177.000 177.017 -0.017 18788 8660 1 12 . 1 1 87 87 ARG CA C 87 55.300 55.300 56.022 -0.722 18788 8661 1 12 . 1 1 87 87 ARG CB C 87 30.000 30.000 29.945 0.055 18788 8662 1 12 . 1 1 87 87 ARG H H 87 8.600 8.600 7.883 0.717 18788 8663 1 12 . 1 1 88 88 GLY N N 88 108.000 108.000 111.574 -3.574 18788 8664 1 12 . 1 1 88 88 GLY C C 88 171.800 171.800 172.975 -1.175 18788 8665 1 12 . 1 1 88 88 GLY CA C 88 44.800 44.800 44.448 0.352 18788 8666 1 12 . 1 1 88 88 GLY H H 88 8.780 8.780 8.427 0.353 18788 8667 1 12 . 1 1 89 89 LEU N N 89 125.100 125.100 127.674 -2.574 18788 8668 1 12 . 1 1 89 89 LEU HA H 89 5.190 5.190 5.360 -0.170 18788 8669 1 12 . 1 1 89 89 LEU C C 89 174.800 174.800 175.774 -0.974 18788 8670 1 12 . 1 1 89 89 LEU CA C 89 52.800 52.800 53.948 -1.148 18788 8671 1 12 . 1 1 89 89 LEU CB C 89 42.900 42.900 41.406 1.494 18788 8672 1 12 . 1 1 89 89 LEU H H 89 8.220 8.220 8.651 -0.431 18788 8673 1 12 . 1 1 90 90 ALA N N 90 119.900 119.900 125.001 -5.101 18788 8674 1 12 . 1 1 90 90 ALA HA H 90 4.790 4.790 4.872 -0.082 18788 8675 1 12 . 1 1 90 90 ALA C C 90 177.000 177.000 175.986 1.014 18788 8676 1 12 . 1 1 90 90 ALA CA C 90 50.800 50.800 50.340 0.460 18788 8677 1 12 . 1 1 90 90 ALA CB C 90 23.700 23.700 22.450 1.250 18788 8678 1 12 . 1 1 90 90 ALA H H 90 7.400 7.400 7.710 -0.310 18788 8679 1 12 . 1 1 91 91 TYR N N 91 122.400 122.400 119.739 2.661 18788 8680 1 12 . 1 1 91 91 TYR HA H 91 4.650 4.650 4.633 0.017 18788 8681 1 12 . 1 1 91 91 TYR C C 91 174.600 174.600 175.711 -1.111 18788 8682 1 12 . 1 1 91 91 TYR CA C 91 57.200 57.200 58.201 -1.001 18788 8683 1 12 . 1 1 91 91 TYR CB C 91 37.600 37.600 39.125 -1.525 18788 8684 1 12 . 1 1 91 91 TYR H H 91 9.000 9.000 8.929 0.071 18788 8685 1 12 . 1 1 92 92 ILE N N 92 122.200 122.200 124.183 -1.983 18788 8686 1 12 . 1 1 92 92 ILE HA H 92 4.950 4.950 4.870 0.080 18788 8687 1 12 . 1 1 92 92 ILE C C 92 173.700 173.700 175.293 -1.593 18788 8688 1 12 . 1 1 92 92 ILE CA C 92 58.700 58.700 60.340 -1.640 18788 8689 1 12 . 1 1 92 92 ILE CB C 92 38.900 38.900 39.609 -0.709 18788 8690 1 12 . 1 1 92 92 ILE H H 92 7.830 7.830 9.486 -1.656 18788 8691 1 12 . 1 1 93 93 TYR N N 93 126.200 126.200 127.162 -0.962 18788 8692 1 12 . 1 1 93 93 TYR HA H 93 5.080 5.080 5.201 -0.121 18788 8693 1 12 . 1 1 93 93 TYR C C 93 173.900 173.900 174.712 -0.812 18788 8694 1 12 . 1 1 93 93 TYR CA C 93 56.500 56.500 56.093 0.407 18788 8695 1 12 . 1 1 93 93 TYR CB C 93 41.500 41.500 40.573 0.927 18788 8696 1 12 . 1 1 93 93 TYR H H 93 9.540 9.540 9.360 0.180 18788 8697 1 12 . 1 1 94 94 ALA N N 94 125.700 125.700 126.612 -0.912 18788 8698 1 12 . 1 1 94 94 ALA HA H 94 4.960 4.960 4.951 0.009 18788 8699 1 12 . 1 1 94 94 ALA C C 94 175.700 175.700 176.997 -1.297 18788 8700 1 12 . 1 1 94 94 ALA CA C 94 49.700 49.700 49.886 -0.186 18788 8701 1 12 . 1 1 94 94 ALA CB C 94 20.900 20.900 19.416 1.484 18788 8702 1 12 . 1 1 94 94 ALA H H 94 9.230 9.230 9.120 0.110 18788 8703 1 12 . 1 1 95 95 ASP N N 95 127.600 127.600 122.729 4.871 18788 8704 1 12 . 1 1 95 95 ASP HA H 95 4.430 4.430 4.156 0.274 18788 8705 1 12 . 1 1 95 95 ASP C C 95 176.100 176.100 176.412 -0.312 18788 8706 1 12 . 1 1 95 95 ASP CA C 95 56.500 56.500 54.810 1.690 18788 8707 1 12 . 1 1 95 95 ASP CB C 95 39.500 39.500 38.608 0.892 18788 8708 1 12 . 1 1 95 95 ASP H H 95 9.720 9.720 9.250 0.470 18788 8709 1 12 . 1 1 96 96 GLY N N 96 103.000 103.000 103.550 -0.550 18788 8710 1 12 . 1 1 96 96 GLY C C 96 173.800 173.800 174.504 -0.704 18788 8711 1 12 . 1 1 96 96 GLY CA C 96 45.400 45.400 44.942 0.458 18788 8712 1 12 . 1 1 96 96 GLY H H 96 9.420 9.420 8.790 0.630 18788 8713 1 12 . 1 1 97 97 LYS N N 97 121.400 121.400 122.759 -1.359 18788 8714 1 12 . 1 1 97 97 LYS HA H 97 4.670 4.670 4.436 0.234 18788 8715 1 12 . 1 1 97 97 LYS C C 97 176.000 176.000 175.495 0.505 18788 8716 1 12 . 1 1 97 97 LYS CA C 97 54.200 54.200 54.941 -0.741 18788 8717 1 12 . 1 1 97 97 LYS CB C 97 33.100 33.100 33.001 0.099 18788 8718 1 12 . 1 1 97 97 LYS H H 97 7.870 7.870 8.147 -0.277 18788 8719 1 12 . 1 1 98 98 MET N N 98 127.000 127.000 126.869 0.131 18788 8720 1 12 . 1 1 98 98 MET HA H 98 3.780 3.780 3.905 -0.125 18788 8721 1 12 . 1 1 98 98 MET C C 98 177.700 177.700 176.868 0.832 18788 8722 1 12 . 1 1 98 98 MET CA C 98 56.100 56.100 56.248 -0.148 18788 8723 1 12 . 1 1 98 98 MET CB C 98 34.700 34.700 32.288 2.412 18788 8724 1 12 . 1 1 98 98 MET H H 98 9.280 9.280 8.903 0.377 18788 8725 1 12 . 1 1 99 99 VAL N N 99 103.700 103.700 127.906 -24.206 18788 8726 1 12 . 1 1 99 99 VAL HA H 99 3.730 3.730 3.577 0.153 18788 8727 1 12 . 1 1 99 99 VAL C C 99 177.200 177.200 177.719 -0.519 18788 8728 1 12 . 1 1 99 99 VAL CA C 99 66.100 66.100 66.453 -0.353 18788 8729 1 12 . 1 1 99 99 VAL CB C 99 32.400 32.400 31.526 0.874 18788 8730 1 12 . 1 1 99 99 VAL H H 99 10.190 10.190 9.085 1.105 18788 8731 1 12 . 1 1 100 100 ASN N N 100 108.600 108.600 118.007 -9.407 18788 8732 1 12 . 1 1 100 100 ASN HA H 100 4.080 4.080 4.278 -0.198 18788 8733 1 12 . 1 1 100 100 ASN C C 100 174.200 174.200 177.187 -2.987 18788 8734 1 12 . 1 1 100 100 ASN CA C 100 57.200 57.200 57.252 -0.052 18788 8735 1 12 . 1 1 100 100 ASN CB C 100 34.700 34.700 37.769 -3.069 18788 8736 1 12 . 1 1 100 100 ASN H H 100 9.670 9.670 7.839 1.831 18788 8737 1 12 . 1 1 101 101 GLU N N 101 112.800 112.800 121.010 -8.210 18788 8738 1 12 . 1 1 101 101 GLU HA H 101 3.660 3.660 3.898 -0.238 18788 8739 1 12 . 1 1 101 101 GLU C C 101 176.100 176.100 177.999 -1.899 18788 8740 1 12 . 1 1 101 101 GLU CA C 101 59.800 59.800 59.645 0.155 18788 8741 1 12 . 1 1 101 101 GLU CB C 101 30.200 30.200 29.511 0.689 18788 8742 1 12 . 1 1 101 101 GLU H H 101 6.150 6.150 8.116 -1.966 18788 8743 1 12 . 1 1 102 102 ALA N N 102 122.600 122.600 122.474 0.126 18788 8744 1 12 . 1 1 102 102 ALA HA H 102 4.070 4.070 4.101 -0.031 18788 8745 1 12 . 1 1 102 102 ALA C C 102 179.800 179.800 180.236 -0.436 18788 8746 1 12 . 1 1 102 102 ALA CA C 102 55.300 55.300 55.232 0.068 18788 8747 1 12 . 1 1 102 102 ALA CB C 102 17.900 17.900 18.276 -0.376 18788 8748 1 12 . 1 1 102 102 ALA H H 102 7.810 7.810 8.262 -0.452 18788 8749 1 12 . 1 1 103 103 LEU N N 103 116.100 116.100 118.470 -2.370 18788 8750 1 12 . 1 1 103 103 LEU HA H 103 3.280 3.280 4.012 -0.732 18788 8751 1 12 . 1 1 103 103 LEU C C 103 178.900 178.900 179.014 -0.114 18788 8752 1 12 . 1 1 103 103 LEU CA C 103 57.800 57.800 58.051 -0.251 18788 8753 1 12 . 1 1 103 103 LEU CB C 103 45.500 45.500 41.664 3.836 18788 8754 1 12 . 1 1 103 103 LEU H H 103 8.070 8.070 8.563 -0.493 18788 8755 1 12 . 1 1 104 104 VAL N N 104 116.600 116.600 119.404 -2.804 18788 8756 1 12 . 1 1 104 104 VAL HA H 104 3.870 3.870 4.002 -0.132 18788 8757 1 12 . 1 1 104 104 VAL C C 104 180.300 180.300 179.023 1.277 18788 8758 1 12 . 1 1 104 104 VAL CA C 104 65.000 65.000 65.875 -0.875 18788 8759 1 12 . 1 1 104 104 VAL CB C 104 32.000 32.000 31.927 0.073 18788 8760 1 12 . 1 1 104 104 VAL H H 104 6.890 6.890 7.838 -0.948 18788 8761 1 12 . 1 1 105 105 ARG N N 105 122.400 122.400 117.205 5.195 18788 8762 1 12 . 1 1 105 105 ARG HA H 105 4.130 4.130 4.469 -0.339 18788 8763 1 12 . 1 1 105 105 ARG C C 105 176.000 176.000 177.695 -1.695 18788 8764 1 12 . 1 1 105 105 ARG CA C 105 57.000 57.000 57.031 -0.031 18788 8765 1 12 . 1 1 105 105 ARG CB C 105 28.300 28.300 29.141 -0.841 18788 8766 1 12 . 1 1 105 105 ARG H H 105 9.140 9.140 8.626 0.514 18788 8767 1 12 . 1 1 106 106 GLN N N 106 112.000 112.000 118.576 -6.576 18788 8768 1 12 . 1 1 106 106 GLN HA H 106 4.320 4.320 4.389 -0.069 18788 8769 1 12 . 1 1 106 106 GLN C C 106 175.600 175.600 175.697 -0.097 18788 8770 1 12 . 1 1 106 106 GLN CA C 106 53.800 53.800 54.484 -0.684 18788 8771 1 12 . 1 1 106 106 GLN CB C 106 28.300 28.300 29.607 -1.307 18788 8772 1 12 . 1 1 106 106 GLN H H 106 7.120 7.120 7.913 -0.793 18788 8773 1 12 . 1 1 107 107 GLY N N 107 107.100 107.100 106.934 0.166 18788 8774 1 12 . 1 1 107 107 GLY C C 107 172.400 172.400 174.161 -1.761 18788 8775 1 12 . 1 1 107 107 GLY CA C 107 46.300 46.300 46.079 0.221 18788 8776 1 12 . 1 1 107 107 GLY H H 107 8.080 8.080 7.909 0.171 18788 8777 1 12 . 1 1 108 108 LEU N N 108 115.100 115.100 117.833 -2.733 18788 8778 1 12 . 1 1 108 108 LEU HA H 108 4.300 4.300 4.613 -0.313 18788 8779 1 12 . 1 1 108 108 LEU C C 108 172.500 172.500 175.792 -3.292 18788 8780 1 12 . 1 1 108 108 LEU CA C 108 53.300 53.300 54.695 -1.395 18788 8781 1 12 . 1 1 108 108 LEU CB C 108 43.500 43.500 43.638 -0.138 18788 8782 1 12 . 1 1 108 108 LEU H H 108 7.810 7.810 8.641 -0.831 18788 8783 1 12 . 1 1 109 109 ALA N N 109 112.900 112.900 120.083 -7.183 18788 8784 1 12 . 1 1 109 109 ALA HA H 109 4.500 4.500 4.563 -0.063 18788 8785 1 12 . 1 1 109 109 ALA C C 109 174.800 174.800 175.210 -0.410 18788 8786 1 12 . 1 1 109 109 ALA CA C 109 49.900 49.900 50.917 -1.017 18788 8787 1 12 . 1 1 109 109 ALA CB C 109 24.900 24.900 21.793 3.107 18788 8788 1 12 . 1 1 109 109 ALA H H 109 6.950 6.950 7.713 -0.763 18788 8789 1 12 . 1 1 110 110 LYS N N 110 117.700 117.700 117.142 0.558 18788 8790 1 12 . 1 1 110 110 LYS HA H 110 5.120 5.120 4.937 0.183 18788 8791 1 12 . 1 1 110 110 LYS C C 110 175.800 175.800 175.573 0.227 18788 8792 1 12 . 1 1 110 110 LYS CA C 110 53.800 53.800 54.387 -0.587 18788 8793 1 12 . 1 1 110 110 LYS CB C 110 35.300 35.300 35.710 -0.410 18788 8794 1 12 . 1 1 110 110 LYS H H 110 7.890 7.890 8.720 -0.830 18788 8795 1 12 . 1 1 111 111 VAL N N 111 123.100 123.100 120.583 2.517 18788 8796 1 12 . 1 1 111 111 VAL HA H 111 4.630 4.630 4.192 0.438 18788 8797 1 12 . 1 1 111 111 VAL C C 111 176.500 176.500 175.173 1.327 18788 8798 1 12 . 1 1 111 111 VAL CA C 111 63.100 63.100 62.096 1.004 18788 8799 1 12 . 1 1 111 111 VAL CB C 111 30.600 30.600 32.830 -2.230 18788 8800 1 12 . 1 1 111 111 VAL H H 111 9.180 9.180 9.266 -0.086 18788 8801 1 12 . 1 1 112 112 ALA N N 112 131.500 131.500 128.755 2.745 18788 8802 1 12 . 1 1 112 112 ALA HA H 112 4.150 4.150 4.227 -0.077 18788 8803 1 12 . 1 1 112 112 ALA C C 112 173.300 173.300 175.890 -2.590 18788 8804 1 12 . 1 1 112 112 ALA CA C 112 51.300 51.300 50.430 0.870 18788 8805 1 12 . 1 1 112 112 ALA CB C 112 23.900 23.900 20.981 2.919 18788 8806 1 12 . 1 1 112 112 ALA H H 112 8.000 8.000 8.666 -0.666 18788 8807 1 12 . 1 1 114 114 VAL N N 114 123.100 123.100 123.725 -0.625 18788 8808 1 12 . 1 1 114 114 VAL HA H 114 3.550 3.550 3.726 -0.176 18788 8809 1 12 . 1 1 114 114 VAL C C 114 174.600 174.600 175.570 -0.970 18788 8810 1 12 . 1 1 114 114 VAL CA C 114 62.000 62.000 62.505 -0.506 18788 8811 1 12 . 1 1 114 114 VAL CB C 114 30.300 30.300 31.680 -1.380 18788 8812 1 12 . 1 1 114 114 VAL H H 114 7.480 7.480 7.985 -0.505 18788 8813 1 12 . 1 1 115 115 TYR N N 115 130.100 130.100 127.481 2.619 18788 8814 1 12 . 1 1 115 115 TYR HA H 115 4.940 4.940 4.600 0.340 18788 8815 1 12 . 1 1 115 115 TYR C C 115 175.700 175.700 175.547 0.153 18788 8816 1 12 . 1 1 115 115 TYR CA C 115 54.900 54.900 56.565 -1.665 18788 8817 1 12 . 1 1 115 115 TYR CB C 115 38.200 38.200 38.903 -0.703 18788 8818 1 12 . 1 1 115 115 TYR H H 115 8.970 8.970 8.242 0.728 18788 8819 1 12 . 1 1 116 116 LYS N N 116 125.400 125.400 126.837 -1.437 18788 8820 1 12 . 1 1 116 116 LYS HA H 116 3.940 3.940 4.430 -0.490 18788 8821 1 12 . 1 1 116 116 LYS C C 116 175.100 175.100 175.779 -0.679 18788 8822 1 12 . 1 1 116 116 LYS CA C 116 56.400 56.400 55.723 0.677 18788 8823 1 12 . 1 1 116 116 LYS CB C 116 31.600 31.600 31.954 -0.354 18788 8824 1 12 . 1 1 116 116 LYS H H 116 8.770 8.770 8.817 -0.047 18788 8825 1 12 . 1 1 117 117 PRO HA H 117 4.620 4.620 4.595 0.025 18788 8826 1 12 . 1 1 117 117 PRO C C 117 175.600 175.600 175.967 -0.367 18788 8827 1 12 . 1 1 117 117 PRO CA C 117 64.100 64.100 63.006 1.094 18788 8828 1 12 . 1 1 117 117 PRO CB C 117 32.600 32.600 32.178 0.421 18788 8829 1 12 . 1 1 118 118 ASN N N 118 128.800 128.800 121.286 7.514 18788 8830 1 12 . 1 1 118 118 ASN HA H 118 5.310 5.310 4.891 0.419 18788 8831 1 12 . 1 1 118 118 ASN C C 118 174.500 174.500 174.125 0.375 18788 8832 1 12 . 1 1 118 118 ASN CA C 118 51.600 51.600 53.206 -1.606 18788 8833 1 12 . 1 1 118 118 ASN CB C 118 36.200 36.200 37.480 -1.280 18788 8834 1 12 . 1 1 118 118 ASN H H 118 8.710 8.710 7.716 0.994 18788 8835 1 12 . 1 1 119 119 ASN N N 119 117.600 117.600 119.365 -1.765 18788 8836 1 12 . 1 1 119 119 ASN HA H 119 5.020 5.020 4.957 0.063 18788 8837 1 12 . 1 1 119 119 ASN C C 119 177.500 177.500 174.277 3.223 18788 8838 1 12 . 1 1 119 119 ASN CA C 119 51.900 51.900 53.187 -1.287 18788 8839 1 12 . 1 1 119 119 ASN CB C 119 39.100 39.100 39.124 -0.024 18788 8840 1 12 . 1 1 119 119 ASN H H 119 8.120 8.120 8.216 -0.096 18788 8841 1 12 . 1 1 120 120 THR N N 120 124.400 124.400 118.506 5.894 18788 8842 1 12 . 1 1 120 120 THR HA H 120 3.850 3.850 4.497 -0.647 18788 8843 1 12 . 1 1 120 120 THR C C 120 176.400 176.400 174.928 1.472 18788 8844 1 12 . 1 1 120 120 THR CA C 120 69.100 69.100 63.971 5.129 18788 8845 1 12 . 1 1 120 120 THR CB C 120 66.800 66.800 69.871 -3.071 18788 8846 1 12 . 1 1 120 120 THR H H 120 10.730 10.730 8.964 1.766 18788 8847 1 12 . 1 1 121 121 HIS N N 121 113.400 113.400 119.257 -5.857 18788 8848 1 12 . 1 1 121 121 HIS HA H 121 5.420 5.420 4.805 0.615 18788 8849 1 12 . 1 1 121 121 HIS C C 121 174.800 174.800 175.569 -0.769 18788 8850 1 12 . 1 1 121 121 HIS CA C 121 53.900 53.900 55.355 -1.455 18788 8851 1 12 . 1 1 121 121 HIS CB C 121 29.400 29.400 30.328 -0.928 18788 8852 1 12 . 1 1 121 121 HIS H H 121 6.860 6.860 8.194 -1.334 18788 8853 1 12 . 1 1 122 122 GLU N N 122 120.200 120.200 121.748 -1.548 18788 8854 1 12 . 1 1 122 122 GLU HA H 122 3.700 3.700 3.894 -0.194 18788 8855 1 12 . 1 1 122 122 GLU C C 122 177.200 177.200 178.101 -0.901 18788 8856 1 12 . 1 1 122 122 GLU CA C 122 61.200 61.200 61.037 0.163 18788 8857 1 12 . 1 1 122 122 GLU CB C 122 29.900 29.900 29.484 0.416 18788 8858 1 12 . 1 1 122 122 GLU H H 122 7.540 7.540 8.845 -1.305 18788 8859 1 12 . 1 1 123 123 GLN N N 123 117.200 117.200 118.191 -0.991 18788 8860 1 12 . 1 1 123 123 GLN HA H 123 3.970 3.970 4.051 -0.081 18788 8861 1 12 . 1 1 123 123 GLN C C 123 178.600 178.600 178.579 0.021 18788 8862 1 12 . 1 1 123 123 GLN CA C 123 59.500 59.500 58.631 0.869 18788 8863 1 12 . 1 1 123 123 GLN CB C 123 27.100 27.100 28.009 -0.909 18788 8864 1 12 . 1 1 123 123 GLN H H 123 8.920 8.920 8.542 0.378 18788 8865 1 12 . 1 1 124 124 LEU N N 124 122.000 122.000 120.969 1.031 18788 8866 1 12 . 1 1 124 124 LEU HA H 124 4.090 4.090 4.106 -0.016 18788 8867 1 12 . 1 1 124 124 LEU C C 124 179.100 179.100 178.848 0.252 18788 8868 1 12 . 1 1 124 124 LEU CA C 124 58.600 58.600 57.745 0.855 18788 8869 1 12 . 1 1 124 124 LEU CB C 124 42.000 42.000 41.258 0.742 18788 8870 1 12 . 1 1 124 124 LEU H H 124 7.940 7.940 7.914 0.026 18788 8871 1 12 . 1 1 125 125 LEU N N 125 118.900 118.900 119.436 -0.536 18788 8872 1 12 . 1 1 125 125 LEU HA H 125 4.000 4.000 3.901 0.099 18788 8873 1 12 . 1 1 125 125 LEU C C 125 179.200 179.200 179.149 0.051 18788 8874 1 12 . 1 1 125 125 LEU CA C 125 58.900 58.900 58.183 0.717 18788 8875 1 12 . 1 1 125 125 LEU CB C 125 41.100 41.100 41.465 -0.365 18788 8876 1 12 . 1 1 125 125 LEU H H 125 8.030 8.030 8.533 -0.503 18788 8877 1 12 . 1 1 126 126 ARG N N 126 118.800 118.800 118.507 0.293 18788 8878 1 12 . 1 1 126 126 ARG HA H 126 4.030 4.030 3.812 0.218 18788 8879 1 12 . 1 1 126 126 ARG C C 126 179.700 179.700 178.467 1.233 18788 8880 1 12 . 1 1 126 126 ARG CA C 126 60.600 60.600 60.178 0.422 18788 8881 1 12 . 1 1 126 126 ARG CB C 126 29.100 29.100 29.956 -0.856 18788 8882 1 12 . 1 1 126 126 ARG H H 126 9.010 9.010 8.727 0.283 18788 8883 1 12 . 1 1 127 127 LYS N N 127 122.700 122.700 120.243 2.457 18788 8884 1 12 . 1 1 127 127 LYS HA H 127 4.150 4.150 3.969 0.181 18788 8885 1 12 . 1 1 127 127 LYS C C 127 179.800 179.800 178.861 0.939 18788 8886 1 12 . 1 1 127 127 LYS CA C 127 60.100 60.100 59.656 0.445 18788 8887 1 12 . 1 1 127 127 LYS CB C 127 31.700 31.700 32.263 -0.563 18788 8888 1 12 . 1 1 127 127 LYS H H 127 8.160 8.160 8.238 -0.078 18788 8889 1 12 . 1 1 128 128 SER N N 128 118.300 118.300 115.371 2.929 18788 8890 1 12 . 1 1 128 128 SER HA H 128 4.320 4.320 4.109 0.211 18788 8891 1 12 . 1 1 128 128 SER C C 128 175.500 175.500 176.255 -0.755 18788 8892 1 12 . 1 1 128 128 SER CA C 128 63.600 63.600 62.702 0.898 18788 8893 1 12 . 1 1 128 128 SER CB C 128 62.600 62.600 62.913 -0.314 18788 8894 1 12 . 1 1 128 128 SER H H 128 7.830 7.830 8.180 -0.350 18788 8895 1 12 . 1 1 129 129 GLU N N 129 125.200 125.200 122.822 2.378 18788 8896 1 12 . 1 1 129 129 GLU HA H 129 3.900 3.900 3.957 -0.057 18788 8897 1 12 . 1 1 129 129 GLU C C 129 177.400 177.400 178.074 -0.674 18788 8898 1 12 . 1 1 129 129 GLU CA C 129 59.200 59.200 59.133 0.068 18788 8899 1 12 . 1 1 129 129 GLU CB C 129 30.900 30.900 29.691 1.209 18788 8900 1 12 . 1 1 129 129 GLU H H 129 8.580 8.580 8.067 0.513 18788 8901 1 12 . 1 1 130 130 ALA N N 130 119.500 119.500 122.049 -2.549 18788 8902 1 12 . 1 1 130 130 ALA HA H 130 3.850 3.850 3.824 0.026 18788 8903 1 12 . 1 1 130 130 ALA C C 130 181.000 181.000 179.910 1.090 18788 8904 1 12 . 1 1 130 130 ALA CA C 130 55.000 55.000 55.143 -0.143 18788 8905 1 12 . 1 1 130 130 ALA CB C 130 17.600 17.600 17.897 -0.297 18788 8906 1 12 . 1 1 130 130 ALA H H 130 7.950 7.950 7.937 0.013 18788 8907 1 12 . 1 1 131 131 GLN N N 131 118.600 118.600 118.565 0.035 18788 8908 1 12 . 1 1 131 131 GLN HA H 131 3.990 3.990 3.935 0.055 18788 8909 1 12 . 1 1 131 131 GLN C C 131 177.200 177.200 178.182 -0.982 18788 8910 1 12 . 1 1 131 131 GLN CA C 131 58.800 58.800 58.597 0.203 18788 8911 1 12 . 1 1 131 131 GLN CB C 131 28.000 28.000 28.399 -0.399 18788 8912 1 12 . 1 1 131 131 GLN H H 131 7.520 7.520 8.301 -0.781 18788 8913 1 12 . 1 1 132 132 ALA N N 132 123.100 123.100 121.654 1.446 18788 8914 1 12 . 1 1 132 132 ALA HA H 132 3.930 3.930 3.969 -0.039 18788 8915 1 12 . 1 1 132 132 ALA C C 132 179.500 179.500 179.333 0.167 18788 8916 1 12 . 1 1 132 132 ALA CA C 132 55.600 55.600 55.155 0.445 18788 8917 1 12 . 1 1 132 132 ALA CB C 132 18.400 18.400 18.298 0.102 18788 8918 1 12 . 1 1 132 132 ALA H H 132 8.000 8.000 7.989 0.011 18788 8919 1 12 . 1 1 133 133 LYS N N 133 117.200 117.200 117.850 -0.650 18788 8920 1 12 . 1 1 133 133 LYS HA H 133 3.450 3.450 3.568 -0.118 18788 8921 1 12 . 1 1 133 133 LYS C C 133 180.800 180.800 179.577 1.223 18788 8922 1 12 . 1 1 133 133 LYS CA C 133 59.500 59.500 59.255 0.245 18788 8923 1 12 . 1 1 133 133 LYS CB C 133 32.200 32.200 32.025 0.175 18788 8924 1 12 . 1 1 133 133 LYS H H 133 8.170 8.170 7.746 0.424 18788 8925 1 12 . 1 1 134 134 LYS N N 134 122.600 122.600 117.985 4.615 18788 8926 1 12 . 1 1 134 134 LYS HA H 134 3.960 3.960 4.153 -0.193 18788 8927 1 12 . 1 1 134 134 LYS C C 134 178.700 178.700 178.296 0.404 18788 8928 1 12 . 1 1 134 134 LYS CA C 134 59.200 59.200 58.641 0.559 18788 8929 1 12 . 1 1 134 134 LYS CB C 134 32.200 32.200 31.930 0.271 18788 8930 1 12 . 1 1 134 134 LYS H H 134 7.830 7.830 7.854 -0.024 18788 8931 1 12 . 1 1 135 135 GLU N N 135 116.500 116.500 117.293 -0.793 18788 8932 1 12 . 1 1 135 135 GLU HA H 135 4.030 4.030 4.359 -0.329 18788 8933 1 12 . 1 1 135 135 GLU C C 135 174.500 174.500 175.735 -1.235 18788 8934 1 12 . 1 1 135 135 GLU CA C 135 56.700 56.700 55.694 1.006 18788 8935 1 12 . 1 1 135 135 GLU CB C 135 29.700 29.700 29.709 -0.009 18788 8936 1 12 . 1 1 135 135 GLU H H 135 7.680 7.680 7.847 -0.167 18788 8937 1 12 . 1 1 136 136 LYS N N 136 116.800 116.800 116.763 0.037 18788 8938 1 12 . 1 1 136 136 LYS HA H 136 3.540 3.540 4.101 -0.561 18788 8939 1 12 . 1 1 136 136 LYS C C 136 175.000 175.000 176.208 -1.208 18788 8940 1 12 . 1 1 136 136 LYS CA C 136 56.800 56.800 56.794 0.007 18788 8941 1 12 . 1 1 136 136 LYS CB C 136 28.800 28.800 29.767 -0.967 18788 8942 1 12 . 1 1 136 136 LYS H H 136 7.820 7.820 7.562 0.258 18788 8943 1 12 . 1 1 137 137 LEU N N 137 117.000 117.000 117.191 -0.191 18788 8944 1 12 . 1 1 137 137 LEU HA H 137 4.190 4.190 4.248 -0.058 18788 8945 1 12 . 1 1 137 137 LEU C C 137 178.500 178.500 178.412 0.088 18788 8946 1 12 . 1 1 137 137 LEU CA C 137 55.000 55.000 54.878 0.122 18788 8947 1 12 . 1 1 137 137 LEU CB C 137 44.000 44.000 42.687 1.313 18788 8948 1 12 . 1 1 137 137 LEU H H 137 7.650 7.650 7.684 -0.034 18788 8949 1 12 . 1 1 138 138 ASN N N 138 118.700 118.700 119.404 -0.704 18788 8950 1 12 . 1 1 138 138 ASN HA H 138 3.730 3.730 4.367 -0.637 18788 8951 1 12 . 1 1 138 138 ASN C C 138 176.300 176.300 177.566 -1.266 18788 8952 1 12 . 1 1 138 138 ASN CA C 138 56.600 56.600 56.007 0.593 18788 8953 1 12 . 1 1 138 138 ASN CB C 138 38.700 38.700 38.132 0.568 18788 8954 1 12 . 1 1 138 138 ASN H H 138 9.050 9.050 8.880 0.170 18788 8955 1 12 . 1 1 139 139 ILE N N 139 123.800 123.800 113.980 9.820 18788 8956 1 12 . 1 1 139 139 ILE HA H 139 3.380 3.380 4.017 -0.637 18788 8957 1 12 . 1 1 139 139 ILE C C 139 176.700 176.700 175.899 0.801 18788 8958 1 12 . 1 1 139 139 ILE CA C 139 65.700 65.700 62.391 3.309 18788 8959 1 12 . 1 1 139 139 ILE CB C 139 37.000 37.000 37.545 -0.545 18788 8960 1 12 . 1 1 139 139 ILE H H 139 8.350 8.350 7.355 0.995 18788 8961 1 12 . 1 1 140 140 TRP N N 140 119.700 119.700 119.584 0.116 18788 8962 1 12 . 1 1 140 140 TRP HA H 140 4.940 4.940 4.781 0.159 18788 8963 1 12 . 1 1 140 140 TRP C C 140 176.200 176.200 176.609 -0.409 18788 8964 1 12 . 1 1 140 140 TRP CA C 140 54.900 54.900 56.035 -1.135 18788 8965 1 12 . 1 1 140 140 TRP CB C 140 30.000 30.000 29.961 0.039 18788 8966 1 12 . 1 1 140 140 TRP H H 140 7.850 7.850 7.693 0.157 18788 8967 1 12 . 1 1 141 141 SER N N 141 116.100 116.100 115.810 0.290 18788 8968 1 12 . 1 1 141 141 SER HA H 141 4.220 4.220 4.575 -0.355 18788 8969 1 12 . 1 1 141 141 SER C C 141 175.200 175.200 174.707 0.493 18788 8970 1 12 . 1 1 141 141 SER CA C 141 59.800 59.800 57.466 2.334 18788 8971 1 12 . 1 1 141 141 SER CB C 141 64.600 64.600 64.452 0.148 18788 8972 1 12 . 1 1 141 141 SER H H 141 8.080 8.080 7.824 0.256 18788 8973 1 12 . 1 1 142 142 GLU N N 142 121.200 121.200 124.593 -3.393 18788 8974 1 12 . 1 1 142 142 GLU HA H 142 4.430 4.430 4.232 0.198 18788 8975 1 12 . 1 1 142 142 GLU C C 142 176.200 176.200 175.127 1.073 18788 8976 1 12 . 1 1 142 142 GLU CA C 142 56.100 56.100 58.182 -2.082 18788 8977 1 12 . 1 1 142 142 GLU CB C 142 30.500 30.500 28.616 1.884 18788 8978 1 12 . 1 1 142 142 GLU H H 142 8.020 8.020 8.834 -0.814 18788 8979 1 12 . 1 1 143 143 ASP N N 143 121.400 121.400 123.900 -2.500 18788 8980 1 12 . 1 1 143 143 ASP HA H 143 4.620 4.620 4.641 -0.021 18788 8981 1 12 . 1 1 143 143 ASP C C 143 176.100 176.100 176.721 -0.621 18788 8982 1 12 . 1 1 143 143 ASP CA C 143 54.800 54.800 54.761 0.039 18788 8983 1 12 . 1 1 143 143 ASP CB C 143 41.200 41.200 42.042 -0.842 18788 8984 1 12 . 1 1 143 143 ASP H H 143 8.370 8.370 8.333 0.037 18788 8985 1 12 . 1 1 144 144 ASN N N 144 119.300 119.300 117.444 1.856 18788 8986 1 12 . 1 1 144 144 ASN HA H 144 4.760 4.760 4.764 -0.004 18788 8987 1 12 . 1 1 144 144 ASN C C 144 175.200 175.200 173.994 1.206 18788 8988 1 12 . 1 1 144 144 ASN CA C 144 53.200 53.200 53.349 -0.149 18788 8989 1 12 . 1 1 144 144 ASN CB C 144 39.000 39.000 39.620 -0.620 18788 8990 1 12 . 1 1 144 144 ASN H H 144 8.400 8.400 8.650 -0.250 18788 8991 1 12 . 1 1 145 145 ALA N N 145 124.300 124.300 122.723 1.577 18788 8992 1 12 . 1 1 145 145 ALA HA H 145 4.310 4.310 4.547 -0.237 18788 8993 1 12 . 1 1 145 145 ALA C C 145 177.700 177.700 176.357 1.343 18788 8994 1 12 . 1 1 145 145 ALA CA C 145 53.300 53.300 51.599 1.701 18788 8995 1 12 . 1 1 145 145 ALA CB C 145 19.200 19.200 21.552 -2.352 18788 8996 1 12 . 1 1 145 145 ALA H H 145 8.240 8.240 7.188 1.052 18788 8997 1 12 . 1 1 146 146 ASP N N 146 119.200 119.200 117.508 1.692 18788 8998 1 12 . 1 1 146 146 ASP HA H 146 4.670 4.670 4.310 0.360 18788 8999 1 12 . 1 1 146 146 ASP C C 146 176.400 176.400 175.707 0.693 18788 9000 1 12 . 1 1 146 146 ASP CA C 146 54.400 54.400 56.588 -2.188 18788 9001 1 12 . 1 1 146 146 ASP CB C 146 41.200 41.200 40.369 0.831 18788 9002 1 12 . 1 1 146 146 ASP H H 146 8.340 8.340 8.892 -0.552 18788 9003 1 12 . 1 1 147 147 SER N N 147 116.100 116.100 116.512 -0.412 18788 9004 1 12 . 1 1 147 147 SER HA H 147 4.450 4.450 4.463 -0.013 18788 9005 1 12 . 1 1 147 147 SER C C 147 175.200 175.200 175.319 -0.119 18788 9006 1 12 . 1 1 147 147 SER CA C 147 58.900 58.900 58.855 0.045 18788 9007 1 12 . 1 1 147 147 SER CB C 147 64.100 64.100 62.787 1.313 18788 9008 1 12 . 1 1 147 147 SER H H 147 8.220 8.220 7.934 0.286 18788 9009 1 12 . 1 1 148 148 GLY N N 148 111.200 111.200 113.149 -1.949 18788 9010 1 12 . 1 1 148 148 GLY C C 148 173.400 173.400 173.508 -0.108 18788 9011 1 12 . 1 1 148 148 GLY CA C 148 45.500 45.500 45.170 0.330 18788 9012 1 12 . 1 1 148 148 GLY H H 148 8.470 8.470 8.087 0.383 18788 9013 1 13 . 1 1 2 2 THR N N 2 120.300 120.300 117.128 3.172 18788 9014 1 13 . 1 1 2 2 THR HA H 2 4.430 4.430 4.551 -0.121 18788 9015 1 13 . 1 1 2 2 THR C C 2 174.400 174.400 174.196 0.204 18788 9016 1 13 . 1 1 2 2 THR CA C 2 62.100 62.100 61.952 0.148 18788 9017 1 13 . 1 1 2 2 THR CB C 2 69.900 69.900 69.319 0.581 18788 9018 1 13 . 1 1 2 2 THR H H 2 8.320 8.320 8.264 0.056 18788 9019 1 13 . 1 1 3 3 SER N N 3 118.700 118.700 118.510 0.190 18788 9020 1 13 . 1 1 3 3 SER HA H 3 5.000 5.000 4.675 0.325 18788 9021 1 13 . 1 1 3 3 SER CA C 3 58.400 58.400 58.138 0.262 18788 9022 1 13 . 1 1 3 3 SER CB C 3 68.800 68.800 65.178 3.622 18788 9023 1 13 . 1 1 3 3 SER H H 3 8.520 8.520 8.368 0.152 18788 9024 1 13 . 1 1 4 4 THR HA H 4 4.380 4.380 4.467 -0.087 18788 9025 1 13 . 1 1 4 4 THR C C 4 174.400 174.400 174.230 0.170 18788 9026 1 13 . 1 1 4 4 THR CA C 4 62.000 62.000 62.312 -0.312 18788 9027 1 13 . 1 1 4 4 THR CB C 4 69.700 69.700 68.125 1.575 18788 9028 1 13 . 1 1 5 5 LYS N N 5 124.000 124.000 123.150 0.850 18788 9029 1 13 . 1 1 5 5 LYS HA H 5 4.370 4.370 3.909 0.461 18788 9030 1 13 . 1 1 5 5 LYS C C 5 176.100 176.100 174.736 1.364 18788 9031 1 13 . 1 1 5 5 LYS CA C 5 56.500 56.500 57.477 -0.977 18788 9032 1 13 . 1 1 5 5 LYS CB C 5 32.900 32.900 32.246 0.654 18788 9033 1 13 . 1 1 5 5 LYS H H 5 8.320 8.320 8.104 0.216 18788 9034 1 13 . 1 1 6 6 LYS N N 6 122.500 122.500 118.205 4.295 18788 9035 1 13 . 1 1 6 6 LYS HA H 6 4.400 4.400 4.498 -0.098 18788 9036 1 13 . 1 1 6 6 LYS C C 6 176.200 176.200 176.942 -0.742 18788 9037 1 13 . 1 1 6 6 LYS CA C 6 55.900 55.900 55.482 0.418 18788 9038 1 13 . 1 1 6 6 LYS CB C 6 33.600 33.600 33.392 0.208 18788 9039 1 13 . 1 1 6 6 LYS H H 6 8.220 8.220 8.034 0.186 18788 9040 1 13 . 1 1 7 7 LEU N N 7 122.200 122.200 119.362 2.838 18788 9041 1 13 . 1 1 7 7 LEU HA H 7 4.550 4.550 4.734 -0.184 18788 9042 1 13 . 1 1 7 7 LEU C C 7 176.600 176.600 176.922 -0.322 18788 9043 1 13 . 1 1 7 7 LEU CA C 7 54.800 54.800 55.914 -1.114 18788 9044 1 13 . 1 1 7 7 LEU CB C 7 41.500 41.500 42.194 -0.694 18788 9045 1 13 . 1 1 7 7 LEU H H 7 8.340 8.340 8.287 0.053 18788 9046 1 13 . 1 1 8 8 HIS N N 8 119.200 119.200 117.112 2.088 18788 9047 1 13 . 1 1 8 8 HIS HA H 8 4.990 4.990 5.031 -0.041 18788 9048 1 13 . 1 1 8 8 HIS C C 8 173.700 173.700 173.573 0.127 18788 9049 1 13 . 1 1 8 8 HIS CA C 8 55.300 55.300 54.432 0.868 18788 9050 1 13 . 1 1 8 8 HIS CB C 8 32.200 32.200 32.195 0.005 18788 9051 1 13 . 1 1 8 8 HIS H H 8 8.860 8.860 8.412 0.448 18788 9052 1 13 . 1 1 9 9 LYS N N 9 124.000 124.000 121.681 2.319 18788 9053 1 13 . 1 1 9 9 LYS HA H 9 4.840 4.840 5.165 -0.325 18788 9054 1 13 . 1 1 9 9 LYS C C 9 176.400 176.400 175.887 0.513 18788 9055 1 13 . 1 1 9 9 LYS CA C 9 55.700 55.700 55.486 0.214 18788 9056 1 13 . 1 1 9 9 LYS CB C 9 34.700 34.700 34.091 0.609 18788 9057 1 13 . 1 1 9 9 LYS H H 9 8.480 8.480 8.606 -0.126 18788 9058 1 13 . 1 1 10 10 GLU N N 10 123.100 123.100 121.503 1.597 18788 9059 1 13 . 1 1 10 10 GLU HA H 10 5.060 5.060 4.840 0.220 18788 9060 1 13 . 1 1 10 10 GLU C C 10 173.200 173.200 174.102 -0.902 18788 9061 1 13 . 1 1 10 10 GLU CA C 10 53.400 53.400 53.213 0.187 18788 9062 1 13 . 1 1 10 10 GLU CB C 10 33.000 33.000 33.534 -0.534 18788 9063 1 13 . 1 1 10 10 GLU H H 10 9.390 9.390 8.763 0.627 18788 9064 1 13 . 1 1 11 11 PRO HA H 11 4.900 4.900 4.839 0.061 18788 9065 1 13 . 1 1 11 11 PRO C C 11 175.400 175.400 175.594 -0.194 18788 9066 1 13 . 1 1 11 11 PRO CA C 11 63.100 63.100 62.917 0.183 18788 9067 1 13 . 1 1 11 11 PRO CB C 11 33.000 33.000 32.275 0.725 18788 9068 1 13 . 1 1 12 12 ALA N N 12 119.700 119.700 124.025 -4.325 18788 9069 1 13 . 1 1 12 12 ALA HA H 12 4.990 4.990 5.601 -0.611 18788 9070 1 13 . 1 1 12 12 ALA C C 12 175.400 175.400 175.592 -0.192 18788 9071 1 13 . 1 1 12 12 ALA CA C 12 51.600 51.600 50.836 0.764 18788 9072 1 13 . 1 1 12 12 ALA CB C 12 24.600 24.600 23.539 1.061 18788 9073 1 13 . 1 1 12 12 ALA H H 12 8.070 8.070 8.879 -0.809 18788 9074 1 13 . 1 1 13 13 THR N N 13 109.100 109.100 114.034 -4.934 18788 9075 1 13 . 1 1 13 13 THR HA H 13 4.700 4.700 4.627 0.073 18788 9076 1 13 . 1 1 13 13 THR C C 13 174.000 174.000 172.802 1.198 18788 9077 1 13 . 1 1 13 13 THR CA C 13 60.700 60.700 61.503 -0.803 18788 9078 1 13 . 1 1 13 13 THR CB C 13 71.600 71.600 72.268 -0.668 18788 9079 1 13 . 1 1 13 13 THR H H 13 8.090 8.090 8.291 -0.201 18788 9080 1 13 . 1 1 14 14 LEU N N 14 125.200 125.200 127.226 -2.026 18788 9081 1 13 . 1 1 14 14 LEU HA H 14 4.140 4.140 4.238 -0.098 18788 9082 1 13 . 1 1 14 14 LEU C C 14 176.700 176.700 175.542 1.158 18788 9083 1 13 . 1 1 14 14 LEU CA C 14 56.800 56.800 56.099 0.701 18788 9084 1 13 . 1 1 14 14 LEU CB C 14 42.900 42.900 42.747 0.153 18788 9085 1 13 . 1 1 14 14 LEU H H 14 9.150 9.150 8.813 0.337 18788 9086 1 13 . 1 1 15 15 ILE N N 15 125.200 125.200 125.826 -0.626 18788 9087 1 13 . 1 1 15 15 ILE HA H 15 4.220 4.220 4.110 0.110 18788 9088 1 13 . 1 1 15 15 ILE C C 15 175.900 175.900 175.588 0.312 18788 9089 1 13 . 1 1 15 15 ILE CA C 15 64.300 64.300 62.544 1.756 18788 9090 1 13 . 1 1 15 15 ILE CB C 15 38.700 38.700 38.971 -0.272 18788 9091 1 13 . 1 1 15 15 ILE H H 15 8.460 8.460 8.729 -0.269 18788 9092 1 13 . 1 1 16 16 LYS N N 16 114.100 114.100 118.849 -4.749 18788 9093 1 13 . 1 1 16 16 LYS HA H 16 4.460 4.460 4.573 -0.113 18788 9094 1 13 . 1 1 16 16 LYS C C 16 174.000 174.000 173.971 0.029 18788 9095 1 13 . 1 1 16 16 LYS CA C 16 56.600 56.600 55.087 1.514 18788 9096 1 13 . 1 1 16 16 LYS CB C 16 35.300 35.300 36.131 -0.831 18788 9097 1 13 . 1 1 16 16 LYS H H 16 8.050 8.050 8.104 -0.054 18788 9098 1 13 . 1 1 17 17 ALA N N 17 129.100 129.100 125.967 3.133 18788 9099 1 13 . 1 1 17 17 ALA HA H 17 4.480 4.480 4.519 -0.039 18788 9100 1 13 . 1 1 17 17 ALA C C 17 175.700 175.700 176.768 -1.068 18788 9101 1 13 . 1 1 17 17 ALA CA C 17 52.300 52.300 51.364 0.936 18788 9102 1 13 . 1 1 17 17 ALA CB C 17 18.200 18.200 19.513 -1.313 18788 9103 1 13 . 1 1 17 17 ALA H H 17 9.470 9.470 8.545 0.925 18788 9104 1 13 . 1 1 18 18 ILE N N 18 123.500 123.500 124.861 -1.361 18788 9105 1 13 . 1 1 18 18 ILE HA H 18 4.110 4.110 4.123 -0.013 18788 9106 1 13 . 1 1 18 18 ILE C C 18 175.100 175.100 176.511 -1.411 18788 9107 1 13 . 1 1 18 18 ILE CA C 18 63.200 63.200 63.986 -0.785 18788 9108 1 13 . 1 1 18 18 ILE CB C 18 37.800 37.800 38.754 -0.954 18788 9109 1 13 . 1 1 18 18 ILE H H 18 8.070 8.070 8.239 -0.169 18788 9110 1 13 . 1 1 19 19 ASP N N 19 120.500 120.500 116.031 4.469 18788 9111 1 13 . 1 1 19 19 ASP HA H 19 4.730 4.730 4.866 -0.136 18788 9112 1 13 . 1 1 19 19 ASP C C 19 176.800 176.800 176.721 0.079 18788 9113 1 13 . 1 1 19 19 ASP CA C 19 53.400 53.400 53.437 -0.037 18788 9114 1 13 . 1 1 19 19 ASP CB C 19 40.100 40.100 43.933 -3.833 18788 9115 1 13 . 1 1 19 19 ASP H H 19 8.290 8.290 8.101 0.189 18788 9116 1 13 . 1 1 20 20 GLY N N 20 103.500 103.500 107.205 -3.705 18788 9117 1 13 . 1 1 20 20 GLY C C 20 173.300 173.300 175.197 -1.897 18788 9118 1 13 . 1 1 20 20 GLY CA C 20 47.700 47.700 47.219 0.481 18788 9119 1 13 . 1 1 20 20 GLY H H 20 8.460 8.460 8.650 -0.190 18788 9120 1 13 . 1 1 21 21 ASP N N 21 111.200 111.200 118.400 -7.200 18788 9121 1 13 . 1 1 21 21 ASP HA H 21 4.850 4.850 4.613 0.237 18788 9122 1 13 . 1 1 21 21 ASP C C 21 175.300 175.300 175.799 -0.499 18788 9123 1 13 . 1 1 21 21 ASP CA C 21 52.100 52.100 54.509 -2.409 18788 9124 1 13 . 1 1 21 21 ASP CB C 21 40.600 40.600 41.356 -0.756 18788 9125 1 13 . 1 1 21 21 ASP H H 21 7.640 7.640 7.895 -0.255 18788 9126 1 13 . 1 1 22 22 THR N N 22 113.200 113.200 116.945 -3.745 18788 9127 1 13 . 1 1 22 22 THR HA H 22 5.700 5.700 5.541 0.159 18788 9128 1 13 . 1 1 22 22 THR C C 22 174.000 174.000 173.768 0.232 18788 9129 1 13 . 1 1 22 22 THR CA C 22 61.000 61.000 61.976 -0.976 18788 9130 1 13 . 1 1 22 22 THR CB C 22 71.800 71.800 70.571 1.229 18788 9131 1 13 . 1 1 22 22 THR H H 22 7.610 7.610 7.655 -0.045 18788 9132 1 13 . 1 1 23 23 VAL N N 23 118.000 118.000 121.364 -3.364 18788 9133 1 13 . 1 1 23 23 VAL HA H 23 4.620 4.620 4.740 -0.120 18788 9134 1 13 . 1 1 23 23 VAL C C 23 172.100 172.100 173.416 -1.316 18788 9135 1 13 . 1 1 23 23 VAL CA C 23 60.100 60.100 59.829 0.271 18788 9136 1 13 . 1 1 23 23 VAL CB C 23 36.200 36.200 35.377 0.824 18788 9137 1 13 . 1 1 23 23 VAL H H 23 8.910 8.910 8.546 0.364 18788 9138 1 13 . 1 1 24 24 LYS N N 24 127.000 127.000 123.307 3.693 18788 9139 1 13 . 1 1 24 24 LYS HA H 24 5.440 5.440 5.314 0.126 18788 9140 1 13 . 1 1 24 24 LYS C C 24 175.200 175.200 174.945 0.255 18788 9141 1 13 . 1 1 24 24 LYS CA C 24 55.600 55.600 55.037 0.563 18788 9142 1 13 . 1 1 24 24 LYS CB C 24 34.400 34.400 34.314 0.086 18788 9143 1 13 . 1 1 24 24 LYS H H 24 9.470 9.470 8.992 0.478 18788 9144 1 13 . 1 1 25 25 LEU N N 25 127.000 127.000 122.761 4.239 18788 9145 1 13 . 1 1 25 25 LEU HA H 25 5.210 5.210 4.974 0.236 18788 9146 1 13 . 1 1 25 25 LEU C C 25 174.500 174.500 174.749 -0.249 18788 9147 1 13 . 1 1 25 25 LEU CA C 25 53.100 53.100 52.923 0.177 18788 9148 1 13 . 1 1 25 25 LEU CB C 25 45.500 45.500 45.191 0.309 18788 9149 1 13 . 1 1 25 25 LEU H H 25 9.380 9.380 9.105 0.275 18788 9150 1 13 . 1 1 26 26 MET N N 26 122.000 122.000 119.972 2.028 18788 9151 1 13 . 1 1 26 26 MET HA H 26 4.880 4.880 4.885 -0.005 18788 9152 1 13 . 1 1 26 26 MET C C 26 175.100 175.100 174.536 0.564 18788 9153 1 13 . 1 1 26 26 MET CA C 26 54.700 54.700 55.095 -0.395 18788 9154 1 13 . 1 1 26 26 MET CB C 26 31.400 31.400 33.326 -1.926 18788 9155 1 13 . 1 1 26 26 MET H H 26 9.530 9.530 8.984 0.546 18788 9156 1 13 . 1 1 27 27 TYR N N 27 129.600 129.600 129.939 -0.339 18788 9157 1 13 . 1 1 27 27 TYR HA H 27 5.050 5.050 4.877 0.173 18788 9158 1 13 . 1 1 27 27 TYR C C 27 173.900 173.900 175.301 -1.401 18788 9159 1 13 . 1 1 27 27 TYR CA C 27 57.000 57.000 56.325 0.675 18788 9160 1 13 . 1 1 27 27 TYR CB C 27 41.700 41.700 38.841 2.859 18788 9161 1 13 . 1 1 27 27 TYR H H 27 9.040 9.040 9.448 -0.408 18788 9162 1 13 . 1 1 28 28 LYS N N 28 127.600 127.600 128.574 -0.974 18788 9163 1 13 . 1 1 28 28 LYS HA H 28 3.590 3.590 3.774 -0.184 18788 9164 1 13 . 1 1 28 28 LYS C C 28 176.900 176.900 175.791 1.109 18788 9165 1 13 . 1 1 28 28 LYS CA C 28 57.100 57.100 57.459 -0.359 18788 9166 1 13 . 1 1 28 28 LYS CB C 28 29.700 29.700 30.460 -0.760 18788 9167 1 13 . 1 1 28 28 LYS H H 28 9.310 9.310 8.619 0.691 18788 9168 1 13 . 1 1 29 29 GLY N N 29 102.400 102.400 102.839 -0.439 18788 9169 1 13 . 1 1 29 29 GLY C C 29 173.600 173.600 174.459 -0.859 18788 9170 1 13 . 1 1 29 29 GLY CA C 29 45.600 45.600 44.881 0.719 18788 9171 1 13 . 1 1 29 29 GLY H H 29 8.450 8.450 8.551 -0.101 18788 9172 1 13 . 1 1 30 30 GLN N N 30 119.300 119.300 121.113 -1.813 18788 9173 1 13 . 1 1 30 30 GLN HA H 30 5.030 5.030 4.860 0.170 18788 9174 1 13 . 1 1 30 30 GLN C C 30 173.200 173.200 173.680 -0.480 18788 9175 1 13 . 1 1 30 30 GLN CA C 30 52.200 52.200 52.310 -0.110 18788 9176 1 13 . 1 1 30 30 GLN CB C 30 31.200 31.200 29.144 2.056 18788 9177 1 13 . 1 1 30 30 GLN H H 30 7.820 7.820 7.963 -0.143 18788 9178 1 13 . 1 1 31 31 PRO HA H 31 4.880 4.880 4.978 -0.098 18788 9179 1 13 . 1 1 31 31 PRO C C 31 177.400 177.400 176.121 1.279 18788 9180 1 13 . 1 1 31 31 PRO CA C 31 62.600 62.600 62.945 -0.345 18788 9181 1 13 . 1 1 31 31 PRO CB C 31 31.900 31.900 32.133 -0.233 18788 9182 1 13 . 1 1 32 32 MET N N 32 125.700 125.700 125.261 0.439 18788 9183 1 13 . 1 1 32 32 MET HA H 32 4.670 4.670 4.913 -0.243 18788 9184 1 13 . 1 1 32 32 MET C C 32 174.600 174.600 174.231 0.369 18788 9185 1 13 . 1 1 32 32 MET CA C 32 55.800 55.800 55.025 0.775 18788 9186 1 13 . 1 1 32 32 MET CB C 32 37.200 37.200 37.347 -0.147 18788 9187 1 13 . 1 1 32 32 MET H H 32 9.570 9.570 9.363 0.207 18788 9188 1 13 . 1 1 33 33 THR N N 33 123.600 123.600 121.372 2.228 18788 9189 1 13 . 1 1 33 33 THR HA H 33 4.510 4.510 5.111 -0.601 18788 9190 1 13 . 1 1 33 33 THR C C 33 173.100 173.100 174.195 -1.095 18788 9191 1 13 . 1 1 33 33 THR CA C 33 64.300 64.300 62.880 1.420 18788 9192 1 13 . 1 1 33 33 THR CB C 33 68.800 68.800 69.587 -0.787 18788 9193 1 13 . 1 1 33 33 THR H H 33 8.990 8.990 8.715 0.275 18788 9194 1 13 . 1 1 34 34 PHE N N 34 126.100 126.100 125.450 0.650 18788 9195 1 13 . 1 1 34 34 PHE HA H 34 4.890 4.890 5.334 -0.444 18788 9196 1 13 . 1 1 34 34 PHE C C 34 173.400 173.400 174.350 -0.950 18788 9197 1 13 . 1 1 34 34 PHE CA C 34 57.300 57.300 56.605 0.695 18788 9198 1 13 . 1 1 34 34 PHE CB C 34 41.900 41.900 42.649 -0.749 18788 9199 1 13 . 1 1 34 34 PHE H H 34 9.610 9.610 9.553 0.057 18788 9200 1 13 . 1 1 35 35 ARG N N 35 124.200 124.200 118.137 6.063 18788 9201 1 13 . 1 1 35 35 ARG HA H 35 5.080 5.080 5.345 -0.265 18788 9202 1 13 . 1 1 35 35 ARG C C 35 174.600 174.600 174.099 0.501 18788 9203 1 13 . 1 1 35 35 ARG CA C 35 52.100 52.100 54.494 -2.394 18788 9204 1 13 . 1 1 35 35 ARG CB C 35 33.600 33.600 35.395 -1.795 18788 9205 1 13 . 1 1 35 35 ARG H H 35 9.640 9.640 9.137 0.503 18788 9206 1 13 . 1 1 38 38 LEU HA H 38 4.330 4.330 4.316 0.014 18788 9207 1 13 . 1 1 38 38 LEU C C 38 175.200 175.200 176.481 -1.281 18788 9208 1 13 . 1 1 38 38 LEU CA C 38 56.600 56.600 56.147 0.453 18788 9209 1 13 . 1 1 38 38 LEU CB C 38 40.100 40.100 41.346 -1.246 18788 9210 1 13 . 1 1 39 39 VAL N N 39 104.500 104.500 110.678 -6.178 18788 9211 1 13 . 1 1 39 39 VAL HA H 39 5.580 5.580 5.220 0.360 18788 9212 1 13 . 1 1 39 39 VAL C C 39 175.600 175.600 174.892 0.708 18788 9213 1 13 . 1 1 39 39 VAL CA C 39 57.800 57.800 58.966 -1.166 18788 9214 1 13 . 1 1 39 39 VAL CB C 39 36.400 36.400 35.036 1.364 18788 9215 1 13 . 1 1 39 39 VAL H H 39 6.920 6.920 7.391 -0.471 18788 9216 1 13 . 1 1 40 40 ASP N N 40 121.500 121.500 125.113 -3.613 18788 9217 1 13 . 1 1 40 40 ASP HA H 40 5.260 5.260 5.256 0.004 18788 9218 1 13 . 1 1 40 40 ASP C C 40 174.600 174.600 176.025 -1.425 18788 9219 1 13 . 1 1 40 40 ASP CA C 40 54.100 54.100 53.087 1.012 18788 9220 1 13 . 1 1 40 40 ASP CB C 40 44.100 44.100 44.634 -0.534 18788 9221 1 13 . 1 1 40 40 ASP H H 40 8.880 8.880 9.142 -0.262 18788 9222 1 13 . 1 1 41 41 THR N N 41 118.700 118.700 117.514 1.186 18788 9223 1 13 . 1 1 41 41 THR HA H 41 5.020 5.020 4.758 0.262 18788 9224 1 13 . 1 1 41 41 THR CA C 41 58.300 58.300 58.978 -0.678 18788 9225 1 13 . 1 1 41 41 THR CB C 41 68.900 68.900 68.596 0.304 18788 9226 1 13 . 1 1 41 41 THR H H 41 8.520 8.520 9.587 -1.067 18788 9227 1 13 . 1 1 42 42 PRO HA H 42 4.440 4.440 4.249 0.191 18788 9228 1 13 . 1 1 42 42 PRO CA C 42 62.200 62.200 63.076 -0.876 18788 9229 1 13 . 1 1 42 42 PRO CB C 42 32.300 32.300 29.863 2.437 18788 9230 1 13 . 1 1 50 50 GLY C C 50 179.800 179.800 173.315 6.485 18788 9231 1 13 . 1 1 51 51 VAL N N 51 119.200 119.200 122.171 -2.971 18788 9232 1 13 . 1 1 51 51 VAL HA H 51 4.160 4.160 4.269 -0.109 18788 9233 1 13 . 1 1 51 51 VAL C C 51 178.600 178.600 175.145 3.455 18788 9234 1 13 . 1 1 51 51 VAL CA C 51 63.500 63.500 62.421 1.079 18788 9235 1 13 . 1 1 51 51 VAL H H 51 7.820 7.820 8.253 -0.433 18788 9236 1 13 . 1 1 54 54 TYR C C 54 176.300 176.300 175.348 0.952 18788 9237 1 13 . 1 1 55 55 GLY N N 55 108.900 108.900 111.239 -2.339 18788 9238 1 13 . 1 1 55 55 GLY C C 55 174.300 174.300 172.143 2.157 18788 9239 1 13 . 1 1 55 55 GLY CA C 55 48.400 48.400 44.092 4.308 18788 9240 1 13 . 1 1 55 55 GLY H H 55 8.810 8.810 8.180 0.630 18788 9241 1 13 . 1 1 57 57 GLU HA H 57 4.010 4.010 4.731 -0.721 18788 9242 1 13 . 1 1 57 57 GLU C C 57 179.500 179.500 176.967 2.533 18788 9243 1 13 . 1 1 57 57 GLU CA C 57 61.700 61.700 54.298 7.402 18788 9244 1 13 . 1 1 58 58 ALA N N 58 125.000 125.000 126.986 -1.986 18788 9245 1 13 . 1 1 58 58 ALA HA H 58 4.170 4.170 4.158 0.012 18788 9246 1 13 . 1 1 58 58 ALA C C 58 178.700 178.700 179.493 -0.793 18788 9247 1 13 . 1 1 58 58 ALA CA C 58 55.800 55.800 55.422 0.378 18788 9248 1 13 . 1 1 58 58 ALA CB C 58 18.200 18.200 18.512 -0.312 18788 9249 1 13 . 1 1 58 58 ALA H H 58 8.940 8.940 8.765 0.175 18788 9250 1 13 . 1 1 59 59 SER N N 59 111.900 111.900 115.050 -3.150 18788 9251 1 13 . 1 1 59 59 SER HA H 59 3.740 3.740 4.284 -0.544 18788 9252 1 13 . 1 1 59 59 SER C C 59 177.100 177.100 176.693 0.407 18788 9253 1 13 . 1 1 59 59 SER CA C 59 62.000 62.000 61.009 0.991 18788 9254 1 13 . 1 1 59 59 SER CB C 59 62.900 62.900 62.343 0.557 18788 9255 1 13 . 1 1 59 59 SER H H 59 8.340 8.340 8.195 0.145 18788 9256 1 13 . 1 1 60 60 ALA N N 60 122.900 122.900 123.393 -0.493 18788 9257 1 13 . 1 1 60 60 ALA HA H 60 4.070 4.070 4.110 -0.040 18788 9258 1 13 . 1 1 60 60 ALA C C 60 179.100 179.100 179.292 -0.192 18788 9259 1 13 . 1 1 60 60 ALA CA C 60 55.100 55.100 54.672 0.428 18788 9260 1 13 . 1 1 60 60 ALA CB C 60 18.200 18.200 18.005 0.195 18788 9261 1 13 . 1 1 60 60 ALA H H 60 8.440 8.440 8.150 0.290 18788 9262 1 13 . 1 1 61 61 PHE N N 61 121.700 121.700 119.416 2.284 18788 9263 1 13 . 1 1 61 61 PHE HA H 61 4.050 4.050 4.127 -0.077 18788 9264 1 13 . 1 1 61 61 PHE C C 61 178.100 178.100 177.397 0.703 18788 9265 1 13 . 1 1 61 61 PHE CA C 61 61.800 61.800 61.959 -0.160 18788 9266 1 13 . 1 1 61 61 PHE CB C 61 39.800 39.800 39.369 0.431 18788 9267 1 13 . 1 1 61 61 PHE H H 61 8.190 8.190 8.060 0.130 18788 9268 1 13 . 1 1 62 62 THR N N 62 120.200 120.200 116.126 4.074 18788 9269 1 13 . 1 1 62 62 THR HA H 62 3.560 3.560 3.811 -0.251 18788 9270 1 13 . 1 1 62 62 THR C C 62 175.300 175.300 176.386 -1.086 18788 9271 1 13 . 1 1 62 62 THR CA C 62 67.600 67.600 67.182 0.418 18788 9272 1 13 . 1 1 62 62 THR CB C 62 68.400 68.400 68.650 -0.250 18788 9273 1 13 . 1 1 62 62 THR H H 62 8.540 8.540 8.756 -0.216 18788 9274 1 13 . 1 1 63 63 LYS N N 63 120.000 120.000 121.557 -1.557 18788 9275 1 13 . 1 1 63 63 LYS HA H 63 3.560 3.560 3.898 -0.338 18788 9276 1 13 . 1 1 63 63 LYS C C 63 176.800 176.800 178.706 -1.906 18788 9277 1 13 . 1 1 63 63 LYS CA C 63 60.400 60.400 59.673 0.727 18788 9278 1 13 . 1 1 63 63 LYS CB C 63 33.300 33.300 32.477 0.823 18788 9279 1 13 . 1 1 63 63 LYS H H 63 7.910 7.910 7.914 -0.004 18788 9280 1 13 . 1 1 64 64 LYS N N 64 117.200 117.200 117.569 -0.369 18788 9281 1 13 . 1 1 64 64 LYS HA H 64 3.940 3.940 4.017 -0.077 18788 9282 1 13 . 1 1 64 64 LYS C C 64 178.700 178.700 179.281 -0.581 18788 9283 1 13 . 1 1 64 64 LYS CA C 64 59.200 59.200 59.250 -0.050 18788 9284 1 13 . 1 1 64 64 LYS CB C 64 31.900 31.900 32.491 -0.591 18788 9285 1 13 . 1 1 64 64 LYS H H 64 8.000 8.000 8.147 -0.147 18788 9286 1 13 . 1 1 65 65 MET N N 65 116.200 116.200 117.422 -1.222 18788 9287 1 13 . 1 1 65 65 MET HA H 65 3.890 3.890 4.176 -0.286 18788 9288 1 13 . 1 1 65 65 MET C C 65 179.200 179.200 178.293 0.907 18788 9289 1 13 . 1 1 65 65 MET CA C 65 59.800 59.800 58.727 1.073 18788 9290 1 13 . 1 1 65 65 MET CB C 65 32.200 32.200 32.699 -0.499 18788 9291 1 13 . 1 1 65 65 MET H H 65 7.680 7.680 7.811 -0.131 18788 9292 1 13 . 1 1 66 66 VAL N N 66 107.700 107.700 114.334 -6.634 18788 9293 1 13 . 1 1 66 66 VAL HA H 66 4.150 4.150 3.849 0.301 18788 9294 1 13 . 1 1 66 66 VAL C C 66 177.500 177.500 177.389 0.111 18788 9295 1 13 . 1 1 66 66 VAL CA C 66 64.300 64.300 64.905 -0.605 18788 9296 1 13 . 1 1 66 66 VAL CB C 66 31.100 31.100 31.747 -0.647 18788 9297 1 13 . 1 1 66 66 VAL H H 66 8.220 8.220 7.751 0.469 18788 9298 1 13 . 1 1 67 67 GLU N N 67 121.000 121.000 118.146 2.854 18788 9299 1 13 . 1 1 67 67 GLU HA H 67 3.960 3.960 4.152 -0.192 18788 9300 1 13 . 1 1 67 67 GLU C C 67 178.000 178.000 177.616 0.384 18788 9301 1 13 . 1 1 67 67 GLU CA C 67 59.200 59.200 58.477 0.723 18788 9302 1 13 . 1 1 67 67 GLU CB C 67 29.100 29.100 29.853 -0.753 18788 9303 1 13 . 1 1 67 67 GLU H H 67 8.750 8.750 7.937 0.813 18788 9304 1 13 . 1 1 68 68 ASN N N 68 113.400 113.400 116.246 -2.846 18788 9305 1 13 . 1 1 68 68 ASN HA H 68 4.660 4.660 4.667 -0.007 18788 9306 1 13 . 1 1 68 68 ASN C C 68 174.600 174.600 174.554 0.046 18788 9307 1 13 . 1 1 68 68 ASN CA C 68 53.400 53.400 54.398 -0.998 18788 9308 1 13 . 1 1 68 68 ASN CB C 68 38.900 38.900 39.495 -0.595 18788 9309 1 13 . 1 1 68 68 ASN H H 68 7.400 7.400 7.655 -0.255 18788 9310 1 13 . 1 1 69 69 ALA N N 69 121.100 121.100 122.368 -1.268 18788 9311 1 13 . 1 1 69 69 ALA HA H 69 4.490 4.490 4.271 0.219 18788 9312 1 13 . 1 1 69 69 ALA C C 69 177.800 177.800 177.196 0.604 18788 9313 1 13 . 1 1 69 69 ALA CA C 69 51.400 51.400 52.431 -1.031 18788 9314 1 13 . 1 1 69 69 ALA CB C 69 19.200 19.200 19.117 0.083 18788 9315 1 13 . 1 1 69 69 ALA H H 69 6.680 6.680 7.229 -0.549 18788 9316 1 13 . 1 1 70 70 LYS N N 70 125.700 125.700 122.081 3.619 18788 9317 1 13 . 1 1 70 70 LYS HA H 70 4.370 4.370 4.321 0.049 18788 9318 1 13 . 1 1 70 70 LYS C C 70 177.800 177.800 177.541 0.259 18788 9319 1 13 . 1 1 70 70 LYS CA C 70 57.800 57.800 56.979 0.821 18788 9320 1 13 . 1 1 70 70 LYS CB C 70 32.000 32.000 33.189 -1.189 18788 9321 1 13 . 1 1 70 70 LYS H H 70 10.130 10.130 8.741 1.389 18788 9322 1 13 . 1 1 71 71 LYS N N 71 121.300 121.300 119.233 2.067 18788 9323 1 13 . 1 1 71 71 LYS HA H 71 4.660 4.660 4.531 0.129 18788 9324 1 13 . 1 1 71 71 LYS C C 71 174.600 174.600 174.870 -0.270 18788 9325 1 13 . 1 1 71 71 LYS CA C 71 55.500 55.500 55.881 -0.381 18788 9326 1 13 . 1 1 71 71 LYS CB C 71 35.400 35.400 33.278 2.122 18788 9327 1 13 . 1 1 71 71 LYS H H 71 8.920 8.920 7.464 1.456 18788 9328 1 13 . 1 1 72 72 ILE N N 72 128.900 128.900 126.506 2.394 18788 9329 1 13 . 1 1 72 72 ILE HA H 72 5.240 5.240 5.172 0.068 18788 9330 1 13 . 1 1 72 72 ILE C C 72 175.300 175.300 175.019 0.281 18788 9331 1 13 . 1 1 72 72 ILE CA C 72 58.700 58.700 60.189 -1.489 18788 9332 1 13 . 1 1 72 72 ILE CB C 72 38.100 38.100 39.586 -1.486 18788 9333 1 13 . 1 1 72 72 ILE H H 72 8.960 8.960 8.696 0.264 18788 9334 1 13 . 1 1 73 73 GLU N N 73 123.100 123.100 126.718 -3.618 18788 9335 1 13 . 1 1 73 73 GLU HA H 73 5.240 5.240 5.373 -0.133 18788 9336 1 13 . 1 1 73 73 GLU C C 73 174.900 174.900 175.525 -0.625 18788 9337 1 13 . 1 1 73 73 GLU CA C 73 53.600 53.600 54.347 -0.747 18788 9338 1 13 . 1 1 73 73 GLU CB C 73 36.200 36.200 33.861 2.339 18788 9339 1 13 . 1 1 73 73 GLU H H 73 8.810 8.810 9.043 -0.233 18788 9340 1 13 . 1 1 74 74 VAL N N 74 117.300 117.300 118.155 -0.855 18788 9341 1 13 . 1 1 74 74 VAL HA H 74 4.550 4.550 4.714 -0.164 18788 9342 1 13 . 1 1 74 74 VAL C C 74 174.000 174.000 174.405 -0.405 18788 9343 1 13 . 1 1 74 74 VAL CA C 74 59.500 59.500 59.720 -0.220 18788 9344 1 13 . 1 1 74 74 VAL CB C 74 34.200 34.200 33.029 1.171 18788 9345 1 13 . 1 1 74 74 VAL H H 74 9.510 9.510 9.086 0.424 18788 9346 1 13 . 1 1 75 75 GLU N N 75 126.900 126.900 127.596 -0.696 18788 9347 1 13 . 1 1 75 75 GLU HA H 75 5.160 5.160 5.298 -0.138 18788 9348 1 13 . 1 1 75 75 GLU C C 75 175.600 175.600 175.783 -0.183 18788 9349 1 13 . 1 1 75 75 GLU CA C 75 54.500 54.500 53.761 0.739 18788 9350 1 13 . 1 1 75 75 GLU CB C 75 35.900 35.900 32.543 3.357 18788 9351 1 13 . 1 1 75 75 GLU H H 75 8.860 8.860 9.076 -0.216 18788 9352 1 13 . 1 1 76 76 PHE N N 76 126.400 126.400 127.590 -1.190 18788 9353 1 13 . 1 1 76 76 PHE HA H 76 4.740 4.740 5.605 -0.865 18788 9354 1 13 . 1 1 76 76 PHE C C 76 175.600 175.600 176.103 -0.503 18788 9355 1 13 . 1 1 76 76 PHE CA C 76 59.500 59.500 59.099 0.401 18788 9356 1 13 . 1 1 76 76 PHE CB C 76 39.700 39.700 39.995 -0.295 18788 9357 1 13 . 1 1 76 76 PHE H H 76 8.770 8.770 9.036 -0.266 18788 9358 1 13 . 1 1 77 77 ASP N N 77 123.000 123.000 121.921 1.079 18788 9359 1 13 . 1 1 77 77 ASP HA H 77 5.310 5.310 5.088 0.222 18788 9360 1 13 . 1 1 77 77 ASP C C 77 177.600 177.600 176.803 0.797 18788 9361 1 13 . 1 1 77 77 ASP CA C 77 51.800 51.800 52.832 -1.032 18788 9362 1 13 . 1 1 77 77 ASP CB C 77 42.900 42.900 45.074 -2.174 18788 9363 1 13 . 1 1 77 77 ASP H H 77 9.310 9.310 8.576 0.734 18788 9364 1 13 . 1 1 78 78 LYS N N 78 119.100 119.100 119.285 -0.185 18788 9365 1 13 . 1 1 78 78 LYS HA H 78 4.240 4.240 4.104 0.136 18788 9366 1 13 . 1 1 78 78 LYS C C 78 177.100 177.100 176.447 0.653 18788 9367 1 13 . 1 1 78 78 LYS CA C 78 57.700 57.700 57.273 0.427 18788 9368 1 13 . 1 1 78 78 LYS CB C 78 33.400 33.400 31.556 1.844 18788 9369 1 13 . 1 1 78 78 LYS H H 78 10.360 10.360 8.969 1.391 18788 9370 1 13 . 1 1 79 79 GLY N N 79 111.100 111.100 104.216 6.884 18788 9371 1 13 . 1 1 79 79 GLY C C 79 173.600 173.600 174.540 -0.940 18788 9372 1 13 . 1 1 79 79 GLY CA C 79 44.500 44.500 45.578 -1.078 18788 9373 1 13 . 1 1 79 79 GLY H H 79 8.680 8.680 8.345 0.335 18788 9374 1 13 . 1 1 80 80 GLN N N 80 124.800 124.800 119.236 5.564 18788 9375 1 13 . 1 1 80 80 GLN HA H 80 4.140 4.140 4.725 -0.585 18788 9376 1 13 . 1 1 80 80 GLN C C 80 176.900 176.900 174.849 2.051 18788 9377 1 13 . 1 1 80 80 GLN CA C 80 57.200 57.200 54.147 3.053 18788 9378 1 13 . 1 1 80 80 GLN CB C 80 29.200 29.200 31.571 -2.371 18788 9379 1 13 . 1 1 80 80 GLN H H 80 8.800 8.800 7.778 1.022 18788 9380 1 13 . 1 1 81 81 ARG N N 81 120.700 120.700 118.300 2.400 18788 9381 1 13 . 1 1 81 81 ARG HA H 81 4.620 4.620 4.392 0.228 18788 9382 1 13 . 1 1 81 81 ARG C C 81 176.200 176.200 174.483 1.717 18788 9383 1 13 . 1 1 81 81 ARG CA C 81 57.500 57.500 57.304 0.195 18788 9384 1 13 . 1 1 81 81 ARG CB C 81 32.000 32.000 31.841 0.159 18788 9385 1 13 . 1 1 81 81 ARG H H 81 8.640 8.640 8.497 0.143 18788 9386 1 13 . 1 1 82 82 THR N N 82 107.900 107.900 108.929 -1.029 18788 9387 1 13 . 1 1 82 82 THR HA H 82 5.540 5.540 4.908 0.632 18788 9388 1 13 . 1 1 82 82 THR C C 82 174.600 174.600 173.566 1.034 18788 9389 1 13 . 1 1 82 82 THR CA C 82 58.400 58.400 60.413 -2.013 18788 9390 1 13 . 1 1 82 82 THR CB C 82 72.500 72.500 71.486 1.014 18788 9391 1 13 . 1 1 82 82 THR H H 82 7.300 7.300 7.432 -0.132 18788 9392 1 13 . 1 1 83 83 ASP N N 83 121.300 121.300 122.309 -1.009 18788 9393 1 13 . 1 1 83 83 ASP HA H 83 4.660 4.660 4.799 -0.139 18788 9394 1 13 . 1 1 83 83 ASP C C 83 179.000 179.000 177.954 1.046 18788 9395 1 13 . 1 1 83 83 ASP CA C 83 51.700 51.700 52.508 -0.808 18788 9396 1 13 . 1 1 83 83 ASP CB C 83 42.100 42.100 43.218 -1.118 18788 9397 1 13 . 1 1 83 83 ASP H H 83 8.590 8.590 8.914 -0.324 18788 9398 1 13 . 1 1 85 85 TYR N N 85 119.300 119.300 117.871 1.429 18788 9399 1 13 . 1 1 85 85 TYR HA H 85 4.600 4.600 4.444 0.156 18788 9400 1 13 . 1 1 85 85 TYR C C 85 176.100 176.100 176.172 -0.072 18788 9401 1 13 . 1 1 85 85 TYR CA C 85 57.100 57.100 57.985 -0.885 18788 9402 1 13 . 1 1 85 85 TYR CB C 85 37.900 37.900 38.056 -0.156 18788 9403 1 13 . 1 1 85 85 TYR H H 85 7.650 7.650 7.626 0.024 18788 9404 1 13 . 1 1 86 86 GLY N N 86 108.500 108.500 107.018 1.482 18788 9405 1 13 . 1 1 86 86 GLY C C 86 174.400 174.400 173.837 0.563 18788 9406 1 13 . 1 1 86 86 GLY CA C 86 45.400 45.400 45.290 0.110 18788 9407 1 13 . 1 1 86 86 GLY H H 86 8.120 8.120 7.966 0.154 18788 9408 1 13 . 1 1 87 87 ARG N N 87 121.600 121.600 119.959 1.641 18788 9409 1 13 . 1 1 87 87 ARG HA H 87 4.430 4.430 4.779 -0.349 18788 9410 1 13 . 1 1 87 87 ARG C C 87 177.000 177.000 176.435 0.565 18788 9411 1 13 . 1 1 87 87 ARG CA C 87 55.300 55.300 54.508 0.792 18788 9412 1 13 . 1 1 87 87 ARG CB C 87 30.000 30.000 31.729 -1.728 18788 9413 1 13 . 1 1 87 87 ARG H H 87 8.600 8.600 7.457 1.143 18788 9414 1 13 . 1 1 88 88 GLY N N 88 108.000 108.000 110.281 -2.281 18788 9415 1 13 . 1 1 88 88 GLY C C 88 171.800 171.800 172.695 -0.895 18788 9416 1 13 . 1 1 88 88 GLY CA C 88 44.800 44.800 44.647 0.153 18788 9417 1 13 . 1 1 88 88 GLY H H 88 8.780 8.780 8.736 0.044 18788 9418 1 13 . 1 1 89 89 LEU N N 89 125.100 125.100 126.386 -1.286 18788 9419 1 13 . 1 1 89 89 LEU HA H 89 5.190 5.190 5.258 -0.068 18788 9420 1 13 . 1 1 89 89 LEU C C 89 174.800 174.800 175.763 -0.963 18788 9421 1 13 . 1 1 89 89 LEU CA C 89 52.800 52.800 53.701 -0.901 18788 9422 1 13 . 1 1 89 89 LEU CB C 89 42.900 42.900 41.895 1.005 18788 9423 1 13 . 1 1 89 89 LEU H H 89 8.220 8.220 8.547 -0.327 18788 9424 1 13 . 1 1 90 90 ALA N N 90 119.900 119.900 124.613 -4.713 18788 9425 1 13 . 1 1 90 90 ALA HA H 90 4.790 4.790 4.953 -0.163 18788 9426 1 13 . 1 1 90 90 ALA C C 90 177.000 177.000 175.961 1.039 18788 9427 1 13 . 1 1 90 90 ALA CA C 90 50.800 50.800 50.677 0.123 18788 9428 1 13 . 1 1 90 90 ALA CB C 90 23.700 23.700 22.300 1.400 18788 9429 1 13 . 1 1 90 90 ALA H H 90 7.400 7.400 8.038 -0.638 18788 9430 1 13 . 1 1 91 91 TYR N N 91 122.400 122.400 121.227 1.173 18788 9431 1 13 . 1 1 91 91 TYR HA H 91 4.650 4.650 4.506 0.144 18788 9432 1 13 . 1 1 91 91 TYR C C 91 174.600 174.600 175.507 -0.907 18788 9433 1 13 . 1 1 91 91 TYR CA C 91 57.200 57.200 58.520 -1.320 18788 9434 1 13 . 1 1 91 91 TYR CB C 91 37.600 37.600 38.992 -1.392 18788 9435 1 13 . 1 1 91 91 TYR H H 91 9.000 9.000 9.085 -0.085 18788 9436 1 13 . 1 1 92 92 ILE N N 92 122.200 122.200 124.985 -2.785 18788 9437 1 13 . 1 1 92 92 ILE HA H 92 4.950 4.950 4.463 0.487 18788 9438 1 13 . 1 1 92 92 ILE C C 92 173.700 173.700 175.007 -1.307 18788 9439 1 13 . 1 1 92 92 ILE CA C 92 58.700 58.700 60.586 -1.886 18788 9440 1 13 . 1 1 92 92 ILE CB C 92 38.900 38.900 39.129 -0.229 18788 9441 1 13 . 1 1 92 92 ILE H H 92 7.830 7.830 8.727 -0.897 18788 9442 1 13 . 1 1 93 93 TYR N N 93 126.200 126.200 127.544 -1.344 18788 9443 1 13 . 1 1 93 93 TYR HA H 93 5.080 5.080 5.339 -0.259 18788 9444 1 13 . 1 1 93 93 TYR C C 93 173.900 173.900 174.825 -0.925 18788 9445 1 13 . 1 1 93 93 TYR CA C 93 56.500 56.500 56.210 0.290 18788 9446 1 13 . 1 1 93 93 TYR CB C 93 41.500 41.500 39.636 1.864 18788 9447 1 13 . 1 1 93 93 TYR H H 93 9.540 9.540 9.377 0.163 18788 9448 1 13 . 1 1 94 94 ALA N N 94 125.700 125.700 126.930 -1.230 18788 9449 1 13 . 1 1 94 94 ALA HA H 94 4.960 4.960 4.629 0.331 18788 9450 1 13 . 1 1 94 94 ALA C C 94 175.700 175.700 177.112 -1.412 18788 9451 1 13 . 1 1 94 94 ALA CA C 94 49.700 49.700 50.261 -0.561 18788 9452 1 13 . 1 1 94 94 ALA CB C 94 20.900 20.900 19.607 1.293 18788 9453 1 13 . 1 1 94 94 ALA H H 94 9.230 9.230 9.173 0.057 18788 9454 1 13 . 1 1 95 95 ASP N N 95 127.600 127.600 125.358 2.242 18788 9455 1 13 . 1 1 95 95 ASP HA H 95 4.430 4.430 4.300 0.130 18788 9456 1 13 . 1 1 95 95 ASP C C 95 176.100 176.100 176.227 -0.127 18788 9457 1 13 . 1 1 95 95 ASP CA C 95 56.500 56.500 55.421 1.079 18788 9458 1 13 . 1 1 95 95 ASP CB C 95 39.500 39.500 40.415 -0.915 18788 9459 1 13 . 1 1 95 95 ASP H H 95 9.720 9.720 9.413 0.307 18788 9460 1 13 . 1 1 96 96 GLY N N 96 103.000 103.000 102.623 0.377 18788 9461 1 13 . 1 1 96 96 GLY C C 96 173.800 173.800 174.370 -0.570 18788 9462 1 13 . 1 1 96 96 GLY CA C 96 45.400 45.400 45.208 0.192 18788 9463 1 13 . 1 1 96 96 GLY H H 96 9.420 9.420 8.386 1.034 18788 9464 1 13 . 1 1 97 97 LYS N N 97 121.400 121.400 121.537 -0.137 18788 9465 1 13 . 1 1 97 97 LYS HA H 97 4.670 4.670 4.668 0.002 18788 9466 1 13 . 1 1 97 97 LYS C C 97 176.000 176.000 175.622 0.378 18788 9467 1 13 . 1 1 97 97 LYS CA C 97 54.200 54.200 55.037 -0.837 18788 9468 1 13 . 1 1 97 97 LYS CB C 97 33.100 33.100 33.918 -0.818 18788 9469 1 13 . 1 1 97 97 LYS H H 97 7.870 7.870 8.107 -0.237 18788 9470 1 13 . 1 1 98 98 MET N N 98 127.000 127.000 124.990 2.010 18788 9471 1 13 . 1 1 98 98 MET HA H 98 3.780 3.780 4.341 -0.561 18788 9472 1 13 . 1 1 98 98 MET C C 98 177.700 177.700 176.974 0.726 18788 9473 1 13 . 1 1 98 98 MET CA C 98 56.100 56.100 55.563 0.537 18788 9474 1 13 . 1 1 98 98 MET CB C 98 34.700 34.700 32.751 1.949 18788 9475 1 13 . 1 1 98 98 MET H H 98 9.280 9.280 8.900 0.380 18788 9476 1 13 . 1 1 99 99 VAL N N 99 103.700 103.700 127.625 -23.925 18788 9477 1 13 . 1 1 99 99 VAL HA H 99 3.730 3.730 3.660 0.070 18788 9478 1 13 . 1 1 99 99 VAL C C 99 177.200 177.200 177.640 -0.440 18788 9479 1 13 . 1 1 99 99 VAL CA C 99 66.100 66.100 66.135 -0.035 18788 9480 1 13 . 1 1 99 99 VAL CB C 99 32.400 32.400 31.162 1.238 18788 9481 1 13 . 1 1 99 99 VAL H H 99 10.190 10.190 8.749 1.441 18788 9482 1 13 . 1 1 100 100 ASN N N 100 108.600 108.600 117.287 -8.687 18788 9483 1 13 . 1 1 100 100 ASN HA H 100 4.080 4.080 4.232 -0.152 18788 9484 1 13 . 1 1 100 100 ASN C C 100 174.200 174.200 177.142 -2.942 18788 9485 1 13 . 1 1 100 100 ASN CA C 100 57.200 57.200 57.227 -0.027 18788 9486 1 13 . 1 1 100 100 ASN CB C 100 34.700 34.700 37.829 -3.129 18788 9487 1 13 . 1 1 100 100 ASN H H 100 9.670 9.670 8.295 1.375 18788 9488 1 13 . 1 1 101 101 GLU N N 101 112.800 112.800 120.527 -7.727 18788 9489 1 13 . 1 1 101 101 GLU HA H 101 3.660 3.660 3.966 -0.306 18788 9490 1 13 . 1 1 101 101 GLU C C 101 176.100 176.100 178.149 -2.049 18788 9491 1 13 . 1 1 101 101 GLU CA C 101 59.800 59.800 59.490 0.310 18788 9492 1 13 . 1 1 101 101 GLU CB C 101 30.200 30.200 29.534 0.666 18788 9493 1 13 . 1 1 101 101 GLU H H 101 6.150 6.150 7.805 -1.655 18788 9494 1 13 . 1 1 102 102 ALA N N 102 122.600 122.600 122.803 -0.203 18788 9495 1 13 . 1 1 102 102 ALA HA H 102 4.070 4.070 4.120 -0.050 18788 9496 1 13 . 1 1 102 102 ALA C C 102 179.800 179.800 179.931 -0.131 18788 9497 1 13 . 1 1 102 102 ALA CA C 102 55.300 55.300 55.264 0.036 18788 9498 1 13 . 1 1 102 102 ALA CB C 102 17.900 17.900 18.351 -0.451 18788 9499 1 13 . 1 1 102 102 ALA H H 102 7.810 7.810 7.746 0.064 18788 9500 1 13 . 1 1 103 103 LEU N N 103 116.100 116.100 118.919 -2.819 18788 9501 1 13 . 1 1 103 103 LEU HA H 103 3.280 3.280 3.678 -0.398 18788 9502 1 13 . 1 1 103 103 LEU C C 103 178.900 178.900 179.058 -0.158 18788 9503 1 13 . 1 1 103 103 LEU CA C 103 57.800 57.800 57.868 -0.069 18788 9504 1 13 . 1 1 103 103 LEU CB C 103 45.500 45.500 41.441 4.059 18788 9505 1 13 . 1 1 103 103 LEU H H 103 8.070 8.070 8.552 -0.482 18788 9506 1 13 . 1 1 104 104 VAL N N 104 116.600 116.600 118.717 -2.117 18788 9507 1 13 . 1 1 104 104 VAL HA H 104 3.870 3.870 4.055 -0.185 18788 9508 1 13 . 1 1 104 104 VAL C C 104 180.300 180.300 179.538 0.762 18788 9509 1 13 . 1 1 104 104 VAL CA C 104 65.000 65.000 65.421 -0.421 18788 9510 1 13 . 1 1 104 104 VAL CB C 104 32.000 32.000 31.096 0.904 18788 9511 1 13 . 1 1 104 104 VAL H H 104 6.890 6.890 7.740 -0.850 18788 9512 1 13 . 1 1 105 105 ARG N N 105 122.400 122.400 120.618 1.782 18788 9513 1 13 . 1 1 105 105 ARG HA H 105 4.130 4.130 4.315 -0.185 18788 9514 1 13 . 1 1 105 105 ARG C C 105 176.000 176.000 178.008 -2.008 18788 9515 1 13 . 1 1 105 105 ARG CA C 105 57.000 57.000 58.830 -1.830 18788 9516 1 13 . 1 1 105 105 ARG CB C 105 28.300 28.300 30.191 -1.891 18788 9517 1 13 . 1 1 105 105 ARG H H 105 9.140 9.140 8.359 0.781 18788 9518 1 13 . 1 1 106 106 GLN N N 106 112.000 112.000 116.264 -4.264 18788 9519 1 13 . 1 1 106 106 GLN HA H 106 4.320 4.320 4.211 0.109 18788 9520 1 13 . 1 1 106 106 GLN C C 106 175.600 175.600 175.640 -0.040 18788 9521 1 13 . 1 1 106 106 GLN CA C 106 53.800 53.800 55.013 -1.213 18788 9522 1 13 . 1 1 106 106 GLN CB C 106 28.300 28.300 28.898 -0.598 18788 9523 1 13 . 1 1 106 106 GLN H H 106 7.120 7.120 8.098 -0.978 18788 9524 1 13 . 1 1 107 107 GLY N N 107 107.100 107.100 106.488 0.612 18788 9525 1 13 . 1 1 107 107 GLY C C 107 172.400 172.400 174.117 -1.717 18788 9526 1 13 . 1 1 107 107 GLY CA C 107 46.300 46.300 46.085 0.215 18788 9527 1 13 . 1 1 107 107 GLY H H 107 8.080 8.080 7.773 0.307 18788 9528 1 13 . 1 1 108 108 LEU N N 108 115.100 115.100 117.506 -2.406 18788 9529 1 13 . 1 1 108 108 LEU HA H 108 4.300 4.300 4.414 -0.114 18788 9530 1 13 . 1 1 108 108 LEU C C 108 172.500 172.500 174.564 -2.064 18788 9531 1 13 . 1 1 108 108 LEU CA C 108 53.300 53.300 54.023 -0.723 18788 9532 1 13 . 1 1 108 108 LEU CB C 108 43.500 43.500 43.105 0.395 18788 9533 1 13 . 1 1 108 108 LEU H H 108 7.810 7.810 8.604 -0.794 18788 9534 1 13 . 1 1 109 109 ALA N N 109 112.900 112.900 119.061 -6.161 18788 9535 1 13 . 1 1 109 109 ALA HA H 109 4.500 4.500 4.550 -0.050 18788 9536 1 13 . 1 1 109 109 ALA C C 109 174.800 174.800 175.538 -0.738 18788 9537 1 13 . 1 1 109 109 ALA CA C 109 49.900 49.900 50.611 -0.711 18788 9538 1 13 . 1 1 109 109 ALA CB C 109 24.900 24.900 21.723 3.178 18788 9539 1 13 . 1 1 109 109 ALA H H 109 6.950 6.950 7.378 -0.428 18788 9540 1 13 . 1 1 110 110 LYS N N 110 117.700 117.700 120.659 -2.959 18788 9541 1 13 . 1 1 110 110 LYS HA H 110 5.120 5.120 4.849 0.271 18788 9542 1 13 . 1 1 110 110 LYS C C 110 175.800 175.800 175.638 0.162 18788 9543 1 13 . 1 1 110 110 LYS CA C 110 53.800 53.800 54.622 -0.822 18788 9544 1 13 . 1 1 110 110 LYS CB C 110 35.300 35.300 35.491 -0.191 18788 9545 1 13 . 1 1 110 110 LYS H H 110 7.890 7.890 8.269 -0.379 18788 9546 1 13 . 1 1 111 111 VAL N N 111 123.100 123.100 121.783 1.317 18788 9547 1 13 . 1 1 111 111 VAL HA H 111 4.630 4.630 4.783 -0.153 18788 9548 1 13 . 1 1 111 111 VAL C C 111 176.500 176.500 175.627 0.873 18788 9549 1 13 . 1 1 111 111 VAL CA C 111 63.100 63.100 61.479 1.621 18788 9550 1 13 . 1 1 111 111 VAL CB C 111 30.600 30.600 31.562 -0.962 18788 9551 1 13 . 1 1 111 111 VAL H H 111 9.180 9.180 9.266 -0.086 18788 9552 1 13 . 1 1 112 112 ALA N N 112 131.500 131.500 129.954 1.546 18788 9553 1 13 . 1 1 112 112 ALA HA H 112 4.150 4.150 4.391 -0.241 18788 9554 1 13 . 1 1 112 112 ALA C C 112 173.300 173.300 175.318 -2.018 18788 9555 1 13 . 1 1 112 112 ALA CA C 112 51.300 51.300 50.827 0.473 18788 9556 1 13 . 1 1 112 112 ALA CB C 112 23.900 23.900 21.066 2.834 18788 9557 1 13 . 1 1 112 112 ALA H H 112 8.000 8.000 8.485 -0.485 18788 9558 1 13 . 1 1 114 114 VAL N N 114 123.100 123.100 122.688 0.412 18788 9559 1 13 . 1 1 114 114 VAL HA H 114 3.550 3.550 4.112 -0.562 18788 9560 1 13 . 1 1 114 114 VAL C C 114 174.600 174.600 175.296 -0.696 18788 9561 1 13 . 1 1 114 114 VAL CA C 114 62.000 62.000 62.483 -0.483 18788 9562 1 13 . 1 1 114 114 VAL CB C 114 30.300 30.300 32.460 -2.160 18788 9563 1 13 . 1 1 114 114 VAL H H 114 7.480 7.480 8.106 -0.626 18788 9564 1 13 . 1 1 115 115 TYR N N 115 130.100 130.100 126.672 3.428 18788 9565 1 13 . 1 1 115 115 TYR HA H 115 4.940 4.940 4.739 0.201 18788 9566 1 13 . 1 1 115 115 TYR C C 115 175.700 175.700 174.573 1.127 18788 9567 1 13 . 1 1 115 115 TYR CA C 115 54.900 54.900 56.468 -1.568 18788 9568 1 13 . 1 1 115 115 TYR CB C 115 38.200 38.200 40.044 -1.844 18788 9569 1 13 . 1 1 115 115 TYR H H 115 8.970 8.970 8.694 0.276 18788 9570 1 13 . 1 1 116 116 LYS N N 116 125.400 125.400 125.337 0.063 18788 9571 1 13 . 1 1 116 116 LYS HA H 116 3.940 3.940 4.476 -0.536 18788 9572 1 13 . 1 1 116 116 LYS C C 116 175.100 175.100 175.529 -0.429 18788 9573 1 13 . 1 1 116 116 LYS CA C 116 56.400 56.400 55.640 0.760 18788 9574 1 13 . 1 1 116 116 LYS CB C 116 31.600 31.600 32.934 -1.334 18788 9575 1 13 . 1 1 116 116 LYS H H 116 8.770 8.770 8.631 0.139 18788 9576 1 13 . 1 1 117 117 PRO HA H 117 4.620 4.620 4.684 -0.064 18788 9577 1 13 . 1 1 117 117 PRO C C 117 175.600 175.600 176.421 -0.821 18788 9578 1 13 . 1 1 117 117 PRO CA C 117 64.100 64.100 62.741 1.359 18788 9579 1 13 . 1 1 117 117 PRO CB C 117 32.600 32.600 31.944 0.656 18788 9580 1 13 . 1 1 118 118 ASN N N 118 128.800 128.800 121.953 6.847 18788 9581 1 13 . 1 1 118 118 ASN HA H 118 5.310 5.310 5.000 0.310 18788 9582 1 13 . 1 1 118 118 ASN C C 118 174.500 174.500 174.470 0.030 18788 9583 1 13 . 1 1 118 118 ASN CA C 118 51.600 51.600 53.333 -1.733 18788 9584 1 13 . 1 1 118 118 ASN CB C 118 36.200 36.200 37.194 -0.994 18788 9585 1 13 . 1 1 118 118 ASN H H 118 8.710 8.710 8.102 0.608 18788 9586 1 13 . 1 1 119 119 ASN N N 119 117.600 117.600 117.501 0.099 18788 9587 1 13 . 1 1 119 119 ASN HA H 119 5.020 5.020 4.999 0.021 18788 9588 1 13 . 1 1 119 119 ASN C C 119 177.500 177.500 175.969 1.531 18788 9589 1 13 . 1 1 119 119 ASN CA C 119 51.900 51.900 53.549 -1.649 18788 9590 1 13 . 1 1 119 119 ASN CB C 119 39.100 39.100 39.867 -0.767 18788 9591 1 13 . 1 1 119 119 ASN H H 119 8.120 8.120 8.619 -0.499 18788 9592 1 13 . 1 1 120 120 THR N N 120 124.400 124.400 117.713 6.687 18788 9593 1 13 . 1 1 120 120 THR HA H 120 3.850 3.850 4.224 -0.374 18788 9594 1 13 . 1 1 120 120 THR C C 120 176.400 176.400 174.950 1.450 18788 9595 1 13 . 1 1 120 120 THR CA C 120 69.100 69.100 65.708 3.392 18788 9596 1 13 . 1 1 120 120 THR CB C 120 66.800 66.800 68.711 -1.911 18788 9597 1 13 . 1 1 120 120 THR H H 120 10.730 10.730 8.323 2.407 18788 9598 1 13 . 1 1 121 121 HIS N N 121 113.400 113.400 116.594 -3.194 18788 9599 1 13 . 1 1 121 121 HIS HA H 121 5.420 5.420 4.782 0.638 18788 9600 1 13 . 1 1 121 121 HIS C C 121 174.800 174.800 174.927 -0.127 18788 9601 1 13 . 1 1 121 121 HIS CA C 121 53.900 53.900 54.971 -1.071 18788 9602 1 13 . 1 1 121 121 HIS CB C 121 29.400 29.400 28.644 0.756 18788 9603 1 13 . 1 1 121 121 HIS H H 121 6.860 6.860 8.164 -1.304 18788 9604 1 13 . 1 1 122 122 GLU N N 122 120.200 120.200 121.281 -1.081 18788 9605 1 13 . 1 1 122 122 GLU HA H 122 3.700 3.700 4.073 -0.373 18788 9606 1 13 . 1 1 122 122 GLU C C 122 177.200 177.200 178.248 -1.048 18788 9607 1 13 . 1 1 122 122 GLU CA C 122 61.200 61.200 60.028 1.172 18788 9608 1 13 . 1 1 122 122 GLU CB C 122 29.900 29.900 29.369 0.531 18788 9609 1 13 . 1 1 122 122 GLU H H 122 7.540 7.540 7.912 -0.372 18788 9610 1 13 . 1 1 123 123 GLN N N 123 117.200 117.200 118.252 -1.052 18788 9611 1 13 . 1 1 123 123 GLN HA H 123 3.970 3.970 4.138 -0.168 18788 9612 1 13 . 1 1 123 123 GLN C C 123 178.600 178.600 178.060 0.540 18788 9613 1 13 . 1 1 123 123 GLN CA C 123 59.500 59.500 58.254 1.246 18788 9614 1 13 . 1 1 123 123 GLN CB C 123 27.100 27.100 28.114 -1.014 18788 9615 1 13 . 1 1 123 123 GLN H H 123 8.920 8.920 8.549 0.371 18788 9616 1 13 . 1 1 124 124 LEU N N 124 122.000 122.000 121.373 0.627 18788 9617 1 13 . 1 1 124 124 LEU HA H 124 4.090 4.090 4.040 0.050 18788 9618 1 13 . 1 1 124 124 LEU C C 124 179.100 179.100 178.304 0.796 18788 9619 1 13 . 1 1 124 124 LEU CA C 124 58.600 58.600 58.027 0.573 18788 9620 1 13 . 1 1 124 124 LEU CB C 124 42.000 42.000 41.666 0.334 18788 9621 1 13 . 1 1 124 124 LEU H H 124 7.940 7.940 7.972 -0.032 18788 9622 1 13 . 1 1 125 125 LEU N N 125 118.900 118.900 118.543 0.357 18788 9623 1 13 . 1 1 125 125 LEU HA H 125 4.000 4.000 4.000 -0.000 18788 9624 1 13 . 1 1 125 125 LEU C C 125 179.200 179.200 179.071 0.129 18788 9625 1 13 . 1 1 125 125 LEU CA C 125 58.900 58.900 57.990 0.910 18788 9626 1 13 . 1 1 125 125 LEU CB C 125 41.100 41.100 41.358 -0.258 18788 9627 1 13 . 1 1 125 125 LEU H H 125 8.030 8.030 7.752 0.278 18788 9628 1 13 . 1 1 126 126 ARG N N 126 118.800 118.800 120.068 -1.268 18788 9629 1 13 . 1 1 126 126 ARG HA H 126 4.030 4.030 3.939 0.091 18788 9630 1 13 . 1 1 126 126 ARG C C 126 179.700 179.700 178.569 1.131 18788 9631 1 13 . 1 1 126 126 ARG CA C 126 60.600 60.600 60.197 0.403 18788 9632 1 13 . 1 1 126 126 ARG CB C 126 29.100 29.100 30.121 -1.021 18788 9633 1 13 . 1 1 126 126 ARG H H 126 9.010 9.010 8.073 0.937 18788 9634 1 13 . 1 1 127 127 LYS N N 127 122.700 122.700 119.537 3.163 18788 9635 1 13 . 1 1 127 127 LYS HA H 127 4.150 4.150 4.096 0.054 18788 9636 1 13 . 1 1 127 127 LYS C C 127 179.800 179.800 179.095 0.705 18788 9637 1 13 . 1 1 127 127 LYS CA C 127 60.100 60.100 58.939 1.161 18788 9638 1 13 . 1 1 127 127 LYS CB C 127 31.700 31.700 31.349 0.351 18788 9639 1 13 . 1 1 127 127 LYS H H 127 8.160 8.160 8.322 -0.162 18788 9640 1 13 . 1 1 128 128 SER N N 128 118.300 118.300 117.097 1.203 18788 9641 1 13 . 1 1 128 128 SER HA H 128 4.320 4.320 4.202 0.118 18788 9642 1 13 . 1 1 128 128 SER C C 128 175.500 175.500 176.021 -0.521 18788 9643 1 13 . 1 1 128 128 SER CA C 128 63.600 63.600 62.887 0.713 18788 9644 1 13 . 1 1 128 128 SER CB C 128 62.600 62.600 63.029 -0.429 18788 9645 1 13 . 1 1 128 128 SER H H 128 7.830 7.830 7.615 0.215 18788 9646 1 13 . 1 1 129 129 GLU N N 129 125.200 125.200 123.492 1.708 18788 9647 1 13 . 1 1 129 129 GLU HA H 129 3.900 3.900 4.088 -0.188 18788 9648 1 13 . 1 1 129 129 GLU C C 129 177.400 177.400 178.276 -0.876 18788 9649 1 13 . 1 1 129 129 GLU CA C 129 59.200 59.200 59.230 -0.029 18788 9650 1 13 . 1 1 129 129 GLU CB C 129 30.900 30.900 29.851 1.049 18788 9651 1 13 . 1 1 129 129 GLU H H 129 8.580 8.580 8.309 0.271 18788 9652 1 13 . 1 1 130 130 ALA N N 130 119.500 119.500 121.615 -2.115 18788 9653 1 13 . 1 1 130 130 ALA HA H 130 3.850 3.850 3.859 -0.009 18788 9654 1 13 . 1 1 130 130 ALA C C 130 181.000 181.000 179.776 1.224 18788 9655 1 13 . 1 1 130 130 ALA CA C 130 55.000 55.000 55.203 -0.203 18788 9656 1 13 . 1 1 130 130 ALA CB C 130 17.600 17.600 17.899 -0.299 18788 9657 1 13 . 1 1 130 130 ALA H H 130 7.950 7.950 8.392 -0.442 18788 9658 1 13 . 1 1 131 131 GLN N N 131 118.600 118.600 118.890 -0.290 18788 9659 1 13 . 1 1 131 131 GLN HA H 131 3.990 3.990 4.022 -0.032 18788 9660 1 13 . 1 1 131 131 GLN C C 131 177.200 177.200 178.229 -1.029 18788 9661 1 13 . 1 1 131 131 GLN CA C 131 58.800 58.800 58.481 0.319 18788 9662 1 13 . 1 1 131 131 GLN CB C 131 28.000 28.000 28.466 -0.466 18788 9663 1 13 . 1 1 131 131 GLN H H 131 7.520 7.520 7.634 -0.114 18788 9664 1 13 . 1 1 132 132 ALA N N 132 123.100 123.100 122.169 0.931 18788 9665 1 13 . 1 1 132 132 ALA HA H 132 3.930 3.930 4.075 -0.145 18788 9666 1 13 . 1 1 132 132 ALA C C 132 179.500 179.500 179.643 -0.143 18788 9667 1 13 . 1 1 132 132 ALA CA C 132 55.600 55.600 55.101 0.499 18788 9668 1 13 . 1 1 132 132 ALA CB C 132 18.400 18.400 18.598 -0.198 18788 9669 1 13 . 1 1 132 132 ALA H H 132 8.000 8.000 7.925 0.075 18788 9670 1 13 . 1 1 133 133 LYS N N 133 117.200 117.200 117.880 -0.680 18788 9671 1 13 . 1 1 133 133 LYS HA H 133 3.450 3.450 3.437 0.013 18788 9672 1 13 . 1 1 133 133 LYS C C 133 180.800 180.800 179.412 1.388 18788 9673 1 13 . 1 1 133 133 LYS CA C 133 59.500 59.500 59.087 0.413 18788 9674 1 13 . 1 1 133 133 LYS CB C 133 32.200 32.200 31.948 0.253 18788 9675 1 13 . 1 1 133 133 LYS H H 133 8.170 8.170 8.103 0.067 18788 9676 1 13 . 1 1 134 134 LYS N N 134 122.600 122.600 117.474 5.126 18788 9677 1 13 . 1 1 134 134 LYS HA H 134 3.960 3.960 4.072 -0.112 18788 9678 1 13 . 1 1 134 134 LYS C C 134 178.700 178.700 177.768 0.932 18788 9679 1 13 . 1 1 134 134 LYS CA C 134 59.200 59.200 58.864 0.337 18788 9680 1 13 . 1 1 134 134 LYS CB C 134 32.200 32.200 32.131 0.069 18788 9681 1 13 . 1 1 134 134 LYS H H 134 7.830 7.830 7.761 0.069 18788 9682 1 13 . 1 1 135 135 GLU N N 135 116.500 116.500 117.319 -0.819 18788 9683 1 13 . 1 1 135 135 GLU HA H 135 4.030 4.030 4.409 -0.379 18788 9684 1 13 . 1 1 135 135 GLU C C 135 174.500 174.500 175.515 -1.015 18788 9685 1 13 . 1 1 135 135 GLU CA C 135 56.700 56.700 55.906 0.794 18788 9686 1 13 . 1 1 135 135 GLU CB C 135 29.700 29.700 30.094 -0.394 18788 9687 1 13 . 1 1 135 135 GLU H H 135 7.680 7.680 7.445 0.235 18788 9688 1 13 . 1 1 136 136 LYS N N 136 116.800 116.800 117.490 -0.690 18788 9689 1 13 . 1 1 136 136 LYS HA H 136 3.540 3.540 3.982 -0.442 18788 9690 1 13 . 1 1 136 136 LYS C C 136 175.000 175.000 175.985 -0.985 18788 9691 1 13 . 1 1 136 136 LYS CA C 136 56.800 56.800 56.739 0.061 18788 9692 1 13 . 1 1 136 136 LYS CB C 136 28.800 28.800 29.601 -0.801 18788 9693 1 13 . 1 1 136 136 LYS H H 136 7.820 7.820 7.485 0.335 18788 9694 1 13 . 1 1 137 137 LEU N N 137 117.000 117.000 118.960 -1.960 18788 9695 1 13 . 1 1 137 137 LEU HA H 137 4.190 4.190 4.137 0.053 18788 9696 1 13 . 1 1 137 137 LEU C C 137 178.500 178.500 178.372 0.128 18788 9697 1 13 . 1 1 137 137 LEU CA C 137 55.000 55.000 55.517 -0.517 18788 9698 1 13 . 1 1 137 137 LEU CB C 137 44.000 44.000 42.274 1.726 18788 9699 1 13 . 1 1 137 137 LEU H H 137 7.650 7.650 8.204 -0.554 18788 9700 1 13 . 1 1 138 138 ASN N N 138 118.700 118.700 118.854 -0.154 18788 9701 1 13 . 1 1 138 138 ASN HA H 138 3.730 3.730 4.376 -0.646 18788 9702 1 13 . 1 1 138 138 ASN C C 138 176.300 176.300 177.566 -1.266 18788 9703 1 13 . 1 1 138 138 ASN CA C 138 56.600 56.600 56.339 0.261 18788 9704 1 13 . 1 1 138 138 ASN CB C 138 38.700 38.700 38.480 0.220 18788 9705 1 13 . 1 1 138 138 ASN H H 138 9.050 9.050 8.661 0.389 18788 9706 1 13 . 1 1 139 139 ILE N N 139 123.800 123.800 113.406 10.394 18788 9707 1 13 . 1 1 139 139 ILE HA H 139 3.380 3.380 3.950 -0.570 18788 9708 1 13 . 1 1 139 139 ILE C C 139 176.700 176.700 176.441 0.259 18788 9709 1 13 . 1 1 139 139 ILE CA C 139 65.700 65.700 62.565 3.135 18788 9710 1 13 . 1 1 139 139 ILE CB C 139 37.000 37.000 37.201 -0.201 18788 9711 1 13 . 1 1 139 139 ILE H H 139 8.350 8.350 7.798 0.552 18788 9712 1 13 . 1 1 140 140 TRP N N 140 119.700 119.700 119.836 -0.136 18788 9713 1 13 . 1 1 140 140 TRP HA H 140 4.940 4.940 4.723 0.217 18788 9714 1 13 . 1 1 140 140 TRP C C 140 176.200 176.200 176.343 -0.143 18788 9715 1 13 . 1 1 140 140 TRP CA C 140 54.900 54.900 56.034 -1.134 18788 9716 1 13 . 1 1 140 140 TRP CB C 140 30.000 30.000 30.451 -0.451 18788 9717 1 13 . 1 1 140 140 TRP H H 140 7.850 7.850 7.812 0.038 18788 9718 1 13 . 1 1 141 141 SER N N 141 116.100 116.100 117.626 -1.526 18788 9719 1 13 . 1 1 141 141 SER HA H 141 4.220 4.220 4.471 -0.251 18788 9720 1 13 . 1 1 141 141 SER C C 141 175.200 175.200 175.305 -0.105 18788 9721 1 13 . 1 1 141 141 SER CA C 141 59.800 59.800 59.225 0.575 18788 9722 1 13 . 1 1 141 141 SER CB C 141 64.600 64.600 61.929 2.671 18788 9723 1 13 . 1 1 141 141 SER H H 141 8.080 8.080 8.082 -0.002 18788 9724 1 13 . 1 1 142 142 GLU N N 142 121.200 121.200 126.564 -5.364 18788 9725 1 13 . 1 1 142 142 GLU HA H 142 4.430 4.430 4.080 0.350 18788 9726 1 13 . 1 1 142 142 GLU C C 142 176.200 176.200 177.151 -0.951 18788 9727 1 13 . 1 1 142 142 GLU CA C 142 56.100 56.100 58.709 -2.609 18788 9728 1 13 . 1 1 142 142 GLU CB C 142 30.500 30.500 29.594 0.906 18788 9729 1 13 . 1 1 142 142 GLU H H 142 8.020 8.020 8.812 -0.792 18788 9730 1 13 . 1 1 143 143 ASP N N 143 121.400 121.400 117.695 3.705 18788 9731 1 13 . 1 1 143 143 ASP HA H 143 4.620 4.620 4.544 0.076 18788 9732 1 13 . 1 1 143 143 ASP C C 143 176.100 176.100 176.969 -0.869 18788 9733 1 13 . 1 1 143 143 ASP CA C 143 54.800 54.800 55.365 -0.565 18788 9734 1 13 . 1 1 143 143 ASP CB C 143 41.200 41.200 40.063 1.137 18788 9735 1 13 . 1 1 143 143 ASP H H 143 8.370 8.370 8.349 0.021 18788 9736 1 13 . 1 1 144 144 ASN N N 144 119.300 119.300 118.756 0.544 18788 9737 1 13 . 1 1 144 144 ASN HA H 144 4.760 4.760 4.645 0.115 18788 9738 1 13 . 1 1 144 144 ASN C C 144 175.200 175.200 175.828 -0.628 18788 9739 1 13 . 1 1 144 144 ASN CA C 144 53.200 53.200 54.433 -1.233 18788 9740 1 13 . 1 1 144 144 ASN CB C 144 39.000 39.000 38.893 0.107 18788 9741 1 13 . 1 1 144 144 ASN H H 144 8.400 8.400 7.765 0.635 18788 9742 1 13 . 1 1 145 145 ALA N N 145 124.300 124.300 120.187 4.113 18788 9743 1 13 . 1 1 145 145 ALA HA H 145 4.310 4.310 4.310 0.000 18788 9744 1 13 . 1 1 145 145 ALA C C 145 177.700 177.700 176.412 1.288 18788 9745 1 13 . 1 1 145 145 ALA CA C 145 53.300 53.300 52.330 0.970 18788 9746 1 13 . 1 1 145 145 ALA CB C 145 19.200 19.200 17.534 1.666 18788 9747 1 13 . 1 1 145 145 ALA H H 145 8.240 8.240 7.839 0.401 18788 9748 1 13 . 1 1 146 146 ASP N N 146 119.200 119.200 118.919 0.281 18788 9749 1 13 . 1 1 146 146 ASP HA H 146 4.670 4.670 4.678 -0.008 18788 9750 1 13 . 1 1 146 146 ASP C C 146 176.400 176.400 176.622 -0.222 18788 9751 1 13 . 1 1 146 146 ASP CA C 146 54.400 54.400 53.847 0.553 18788 9752 1 13 . 1 1 146 146 ASP CB C 146 41.200 41.200 42.347 -1.147 18788 9753 1 13 . 1 1 146 146 ASP H H 146 8.340 8.340 7.676 0.664 18788 9754 1 13 . 1 1 147 147 SER N N 147 116.100 116.100 113.978 2.122 18788 9755 1 13 . 1 1 147 147 SER HA H 147 4.450 4.450 4.190 0.260 18788 9756 1 13 . 1 1 147 147 SER C C 147 175.200 175.200 173.938 1.262 18788 9757 1 13 . 1 1 147 147 SER CA C 147 58.900 58.900 59.198 -0.298 18788 9758 1 13 . 1 1 147 147 SER CB C 147 64.100 64.100 61.634 2.466 18788 9759 1 13 . 1 1 147 147 SER H H 147 8.220 8.220 8.114 0.106 18788 9760 1 13 . 1 1 148 148 GLY N N 148 111.200 111.200 108.843 2.357 18788 9761 1 13 . 1 1 148 148 GLY C C 148 173.400 173.400 173.231 0.169 18788 9762 1 13 . 1 1 148 148 GLY CA C 148 45.500 45.500 45.403 0.097 18788 9763 1 13 . 1 1 148 148 GLY H H 148 8.470 8.470 8.105 0.365 18788 9764 1 14 . 1 1 2 2 THR N N 2 120.300 120.300 113.252 7.048 18788 9765 1 14 . 1 1 2 2 THR HA H 2 4.430 4.430 4.119 0.311 18788 9766 1 14 . 1 1 2 2 THR C C 2 174.400 174.400 173.353 1.047 18788 9767 1 14 . 1 1 2 2 THR CA C 2 62.100 62.100 62.795 -0.695 18788 9768 1 14 . 1 1 2 2 THR CB C 2 69.900 69.900 68.706 1.194 18788 9769 1 14 . 1 1 2 2 THR H H 2 8.320 8.320 8.050 0.270 18788 9770 1 14 . 1 1 3 3 SER N N 3 118.700 118.700 121.210 -2.510 18788 9771 1 14 . 1 1 3 3 SER HA H 3 5.000 5.000 4.605 0.395 18788 9772 1 14 . 1 1 3 3 SER CA C 3 58.400 58.400 57.896 0.504 18788 9773 1 14 . 1 1 3 3 SER CB C 3 68.800 68.800 64.900 3.900 18788 9774 1 14 . 1 1 3 3 SER H H 3 8.520 8.520 8.125 0.395 18788 9775 1 14 . 1 1 4 4 THR HA H 4 4.380 4.380 4.288 0.092 18788 9776 1 14 . 1 1 4 4 THR C C 4 174.400 174.400 174.288 0.112 18788 9777 1 14 . 1 1 4 4 THR CA C 4 62.000 62.000 62.643 -0.643 18788 9778 1 14 . 1 1 4 4 THR CB C 4 69.700 69.700 69.299 0.401 18788 9779 1 14 . 1 1 5 5 LYS N N 5 124.000 124.000 127.162 -3.162 18788 9780 1 14 . 1 1 5 5 LYS HA H 5 4.370 4.370 4.335 0.035 18788 9781 1 14 . 1 1 5 5 LYS C C 5 176.100 176.100 176.324 -0.224 18788 9782 1 14 . 1 1 5 5 LYS CA C 5 56.500 56.500 56.138 0.362 18788 9783 1 14 . 1 1 5 5 LYS CB C 5 32.900 32.900 33.288 -0.388 18788 9784 1 14 . 1 1 5 5 LYS H H 5 8.320 8.320 8.542 -0.222 18788 9785 1 14 . 1 1 6 6 LYS N N 6 122.500 122.500 122.440 0.060 18788 9786 1 14 . 1 1 6 6 LYS HA H 6 4.400 4.400 4.258 0.142 18788 9787 1 14 . 1 1 6 6 LYS C C 6 176.200 176.200 175.870 0.330 18788 9788 1 14 . 1 1 6 6 LYS CA C 6 55.900 55.900 56.418 -0.518 18788 9789 1 14 . 1 1 6 6 LYS CB C 6 33.600 33.600 32.414 1.185 18788 9790 1 14 . 1 1 6 6 LYS H H 6 8.220 8.220 8.338 -0.118 18788 9791 1 14 . 1 1 7 7 LEU N N 7 122.200 122.200 121.902 0.298 18788 9792 1 14 . 1 1 7 7 LEU HA H 7 4.550 4.550 4.484 0.066 18788 9793 1 14 . 1 1 7 7 LEU C C 7 176.600 176.600 175.443 1.157 18788 9794 1 14 . 1 1 7 7 LEU CA C 7 54.800 54.800 55.735 -0.935 18788 9795 1 14 . 1 1 7 7 LEU CB C 7 41.500 41.500 41.587 -0.087 18788 9796 1 14 . 1 1 7 7 LEU H H 7 8.340 8.340 8.914 -0.574 18788 9797 1 14 . 1 1 8 8 HIS N N 8 119.200 119.200 115.152 4.048 18788 9798 1 14 . 1 1 8 8 HIS HA H 8 4.990 4.990 4.946 0.044 18788 9799 1 14 . 1 1 8 8 HIS C C 8 173.700 173.700 174.222 -0.522 18788 9800 1 14 . 1 1 8 8 HIS CA C 8 55.300 55.300 53.980 1.321 18788 9801 1 14 . 1 1 8 8 HIS CB C 8 32.200 32.200 32.180 0.020 18788 9802 1 14 . 1 1 8 8 HIS H H 8 8.860 8.860 8.248 0.612 18788 9803 1 14 . 1 1 9 9 LYS N N 9 124.000 124.000 125.799 -1.799 18788 9804 1 14 . 1 1 9 9 LYS HA H 9 4.840 4.840 4.641 0.199 18788 9805 1 14 . 1 1 9 9 LYS C C 9 176.400 176.400 176.346 0.054 18788 9806 1 14 . 1 1 9 9 LYS CA C 9 55.700 55.700 56.014 -0.314 18788 9807 1 14 . 1 1 9 9 LYS CB C 9 34.700 34.700 33.230 1.470 18788 9808 1 14 . 1 1 9 9 LYS H H 9 8.480 8.480 8.733 -0.253 18788 9809 1 14 . 1 1 10 10 GLU N N 10 123.100 123.100 124.581 -1.481 18788 9810 1 14 . 1 1 10 10 GLU HA H 10 5.060 5.060 5.063 -0.003 18788 9811 1 14 . 1 1 10 10 GLU C C 10 173.200 173.200 174.428 -1.228 18788 9812 1 14 . 1 1 10 10 GLU CA C 10 53.400 53.400 52.883 0.517 18788 9813 1 14 . 1 1 10 10 GLU CB C 10 33.000 33.000 32.288 0.711 18788 9814 1 14 . 1 1 10 10 GLU H H 10 9.390 9.390 8.936 0.454 18788 9815 1 14 . 1 1 11 11 PRO HA H 11 4.900 4.900 4.991 -0.091 18788 9816 1 14 . 1 1 11 11 PRO C C 11 175.400 175.400 175.784 -0.384 18788 9817 1 14 . 1 1 11 11 PRO CA C 11 63.100 63.100 62.783 0.316 18788 9818 1 14 . 1 1 11 11 PRO CB C 11 33.000 33.000 32.560 0.440 18788 9819 1 14 . 1 1 12 12 ALA N N 12 119.700 119.700 123.012 -3.312 18788 9820 1 14 . 1 1 12 12 ALA HA H 12 4.990 4.990 5.342 -0.352 18788 9821 1 14 . 1 1 12 12 ALA C C 12 175.400 175.400 175.516 -0.116 18788 9822 1 14 . 1 1 12 12 ALA CA C 12 51.600 51.600 51.023 0.577 18788 9823 1 14 . 1 1 12 12 ALA CB C 12 24.600 24.600 23.234 1.366 18788 9824 1 14 . 1 1 12 12 ALA H H 12 8.070 8.070 8.935 -0.865 18788 9825 1 14 . 1 1 13 13 THR N N 13 109.100 109.100 114.250 -5.150 18788 9826 1 14 . 1 1 13 13 THR HA H 13 4.700 4.700 4.653 0.047 18788 9827 1 14 . 1 1 13 13 THR C C 13 174.000 174.000 172.917 1.083 18788 9828 1 14 . 1 1 13 13 THR CA C 13 60.700 60.700 61.464 -0.764 18788 9829 1 14 . 1 1 13 13 THR CB C 13 71.600 71.600 72.293 -0.693 18788 9830 1 14 . 1 1 13 13 THR H H 13 8.090 8.090 8.125 -0.035 18788 9831 1 14 . 1 1 14 14 LEU N N 14 125.200 125.200 126.457 -1.257 18788 9832 1 14 . 1 1 14 14 LEU HA H 14 4.140 4.140 4.320 -0.180 18788 9833 1 14 . 1 1 14 14 LEU C C 14 176.700 176.700 175.736 0.964 18788 9834 1 14 . 1 1 14 14 LEU CA C 14 56.800 56.800 55.778 1.022 18788 9835 1 14 . 1 1 14 14 LEU CB C 14 42.900 42.900 42.971 -0.071 18788 9836 1 14 . 1 1 14 14 LEU H H 14 9.150 9.150 8.871 0.279 18788 9837 1 14 . 1 1 15 15 ILE N N 15 125.200 125.200 126.338 -1.138 18788 9838 1 14 . 1 1 15 15 ILE HA H 15 4.220 4.220 4.103 0.117 18788 9839 1 14 . 1 1 15 15 ILE C C 15 175.900 175.900 176.045 -0.145 18788 9840 1 14 . 1 1 15 15 ILE CA C 15 64.300 64.300 62.661 1.639 18788 9841 1 14 . 1 1 15 15 ILE CB C 15 38.700 38.700 39.020 -0.320 18788 9842 1 14 . 1 1 15 15 ILE H H 15 8.460 8.460 8.686 -0.226 18788 9843 1 14 . 1 1 16 16 LYS N N 16 114.100 114.100 117.036 -2.936 18788 9844 1 14 . 1 1 16 16 LYS HA H 16 4.460 4.460 4.646 -0.186 18788 9845 1 14 . 1 1 16 16 LYS C C 16 174.000 174.000 174.498 -0.498 18788 9846 1 14 . 1 1 16 16 LYS CA C 16 56.600 56.600 55.098 1.502 18788 9847 1 14 . 1 1 16 16 LYS CB C 16 35.300 35.300 37.042 -1.742 18788 9848 1 14 . 1 1 16 16 LYS H H 16 8.050 8.050 8.101 -0.051 18788 9849 1 14 . 1 1 17 17 ALA N N 17 129.100 129.100 127.894 1.206 18788 9850 1 14 . 1 1 17 17 ALA HA H 17 4.480 4.480 4.370 0.110 18788 9851 1 14 . 1 1 17 17 ALA C C 17 175.700 175.700 176.718 -1.018 18788 9852 1 14 . 1 1 17 17 ALA CA C 17 52.300 52.300 52.636 -0.336 18788 9853 1 14 . 1 1 17 17 ALA CB C 17 18.200 18.200 19.030 -0.831 18788 9854 1 14 . 1 1 17 17 ALA H H 17 9.470 9.470 8.764 0.706 18788 9855 1 14 . 1 1 18 18 ILE N N 18 123.500 123.500 124.397 -0.897 18788 9856 1 14 . 1 1 18 18 ILE HA H 18 4.110 4.110 4.195 -0.085 18788 9857 1 14 . 1 1 18 18 ILE C C 18 175.100 175.100 176.825 -1.725 18788 9858 1 14 . 1 1 18 18 ILE CA C 18 63.200 63.200 61.957 1.243 18788 9859 1 14 . 1 1 18 18 ILE CB C 18 37.800 37.800 38.363 -0.563 18788 9860 1 14 . 1 1 18 18 ILE H H 18 8.070 8.070 8.564 -0.494 18788 9861 1 14 . 1 1 19 19 ASP N N 19 120.500 120.500 117.243 3.257 18788 9862 1 14 . 1 1 19 19 ASP HA H 19 4.730 4.730 4.813 -0.083 18788 9863 1 14 . 1 1 19 19 ASP C C 19 176.800 176.800 175.965 0.835 18788 9864 1 14 . 1 1 19 19 ASP CA C 19 53.400 53.400 53.580 -0.180 18788 9865 1 14 . 1 1 19 19 ASP CB C 19 40.100 40.100 43.268 -3.168 18788 9866 1 14 . 1 1 19 19 ASP H H 19 8.290 8.290 8.112 0.178 18788 9867 1 14 . 1 1 20 20 GLY N N 20 103.500 103.500 106.244 -2.744 18788 9868 1 14 . 1 1 20 20 GLY C C 20 173.300 173.300 175.153 -1.853 18788 9869 1 14 . 1 1 20 20 GLY CA C 20 47.700 47.700 47.388 0.312 18788 9870 1 14 . 1 1 20 20 GLY H H 20 8.460 8.460 8.633 -0.173 18788 9871 1 14 . 1 1 21 21 ASP N N 21 111.200 111.200 116.230 -5.030 18788 9872 1 14 . 1 1 21 21 ASP HA H 21 4.850 4.850 4.686 0.164 18788 9873 1 14 . 1 1 21 21 ASP C C 21 175.300 175.300 175.120 0.180 18788 9874 1 14 . 1 1 21 21 ASP CA C 21 52.100 52.100 53.861 -1.761 18788 9875 1 14 . 1 1 21 21 ASP CB C 21 40.600 40.600 41.130 -0.530 18788 9876 1 14 . 1 1 21 21 ASP H H 21 7.640 7.640 7.728 -0.088 18788 9877 1 14 . 1 1 22 22 THR N N 22 113.200 113.200 115.263 -2.063 18788 9878 1 14 . 1 1 22 22 THR HA H 22 5.700 5.700 5.519 0.181 18788 9879 1 14 . 1 1 22 22 THR C C 22 174.000 174.000 173.234 0.766 18788 9880 1 14 . 1 1 22 22 THR CA C 22 61.000 61.000 61.661 -0.661 18788 9881 1 14 . 1 1 22 22 THR CB C 22 71.800 71.800 70.719 1.081 18788 9882 1 14 . 1 1 22 22 THR H H 22 7.610 7.610 7.247 0.363 18788 9883 1 14 . 1 1 23 23 VAL N N 23 118.000 118.000 119.582 -1.582 18788 9884 1 14 . 1 1 23 23 VAL HA H 23 4.620 4.620 4.822 -0.202 18788 9885 1 14 . 1 1 23 23 VAL C C 23 172.100 172.100 173.206 -1.106 18788 9886 1 14 . 1 1 23 23 VAL CA C 23 60.100 60.100 59.391 0.709 18788 9887 1 14 . 1 1 23 23 VAL CB C 23 36.200 36.200 35.358 0.842 18788 9888 1 14 . 1 1 23 23 VAL H H 23 8.910 8.910 9.199 -0.289 18788 9889 1 14 . 1 1 24 24 LYS N N 24 127.000 127.000 123.770 3.230 18788 9890 1 14 . 1 1 24 24 LYS HA H 24 5.440 5.440 5.348 0.092 18788 9891 1 14 . 1 1 24 24 LYS C C 24 175.200 175.200 175.114 0.086 18788 9892 1 14 . 1 1 24 24 LYS CA C 24 55.600 55.600 55.026 0.574 18788 9893 1 14 . 1 1 24 24 LYS CB C 24 34.400 34.400 34.608 -0.208 18788 9894 1 14 . 1 1 24 24 LYS H H 24 9.470 9.470 8.799 0.671 18788 9895 1 14 . 1 1 25 25 LEU N N 25 127.000 127.000 122.715 4.285 18788 9896 1 14 . 1 1 25 25 LEU HA H 25 5.210 5.210 4.998 0.212 18788 9897 1 14 . 1 1 25 25 LEU C C 25 174.500 174.500 174.909 -0.409 18788 9898 1 14 . 1 1 25 25 LEU CA C 25 53.100 53.100 52.773 0.327 18788 9899 1 14 . 1 1 25 25 LEU CB C 25 45.500 45.500 45.052 0.448 18788 9900 1 14 . 1 1 25 25 LEU H H 25 9.380 9.380 9.231 0.149 18788 9901 1 14 . 1 1 26 26 MET N N 26 122.000 122.000 120.205 1.795 18788 9902 1 14 . 1 1 26 26 MET HA H 26 4.880 4.880 4.943 -0.063 18788 9903 1 14 . 1 1 26 26 MET C C 26 175.100 175.100 174.449 0.651 18788 9904 1 14 . 1 1 26 26 MET CA C 26 54.700 54.700 55.336 -0.636 18788 9905 1 14 . 1 1 26 26 MET CB C 26 31.400 31.400 33.135 -1.735 18788 9906 1 14 . 1 1 26 26 MET H H 26 9.530 9.530 8.953 0.577 18788 9907 1 14 . 1 1 27 27 TYR N N 27 129.600 129.600 128.682 0.918 18788 9908 1 14 . 1 1 27 27 TYR HA H 27 5.050 5.050 4.933 0.117 18788 9909 1 14 . 1 1 27 27 TYR C C 27 173.900 173.900 175.312 -1.412 18788 9910 1 14 . 1 1 27 27 TYR CA C 27 57.000 57.000 56.963 0.037 18788 9911 1 14 . 1 1 27 27 TYR CB C 27 41.700 41.700 41.521 0.179 18788 9912 1 14 . 1 1 27 27 TYR H H 27 9.040 9.040 9.347 -0.307 18788 9913 1 14 . 1 1 28 28 LYS N N 28 127.600 127.600 128.482 -0.882 18788 9914 1 14 . 1 1 28 28 LYS HA H 28 3.590 3.590 3.696 -0.106 18788 9915 1 14 . 1 1 28 28 LYS C C 28 176.900 176.900 176.141 0.759 18788 9916 1 14 . 1 1 28 28 LYS CA C 28 57.100 57.100 57.102 -0.002 18788 9917 1 14 . 1 1 28 28 LYS CB C 28 29.700 29.700 30.473 -0.773 18788 9918 1 14 . 1 1 28 28 LYS H H 28 9.310 9.310 9.351 -0.041 18788 9919 1 14 . 1 1 29 29 GLY N N 29 102.400 102.400 102.459 -0.059 18788 9920 1 14 . 1 1 29 29 GLY C C 29 173.600 173.600 174.394 -0.794 18788 9921 1 14 . 1 1 29 29 GLY CA C 29 45.600 45.600 45.264 0.336 18788 9922 1 14 . 1 1 29 29 GLY H H 29 8.450 8.450 8.607 -0.157 18788 9923 1 14 . 1 1 30 30 GLN N N 30 119.300 119.300 119.074 0.226 18788 9924 1 14 . 1 1 30 30 GLN HA H 30 5.030 5.030 4.901 0.129 18788 9925 1 14 . 1 1 30 30 GLN C C 30 173.200 173.200 173.295 -0.095 18788 9926 1 14 . 1 1 30 30 GLN CA C 30 52.200 52.200 52.047 0.153 18788 9927 1 14 . 1 1 30 30 GLN CB C 30 31.200 31.200 29.043 2.157 18788 9928 1 14 . 1 1 30 30 GLN H H 30 7.820 7.820 7.997 -0.177 18788 9929 1 14 . 1 1 31 31 PRO HA H 31 4.880 4.880 4.866 0.014 18788 9930 1 14 . 1 1 31 31 PRO C C 31 177.400 177.400 176.105 1.295 18788 9931 1 14 . 1 1 31 31 PRO CA C 31 62.600 62.600 63.190 -0.590 18788 9932 1 14 . 1 1 31 31 PRO CB C 31 31.900 31.900 32.096 -0.196 18788 9933 1 14 . 1 1 32 32 MET N N 32 125.700 125.700 125.982 -0.282 18788 9934 1 14 . 1 1 32 32 MET HA H 32 4.670 4.670 4.971 -0.301 18788 9935 1 14 . 1 1 32 32 MET C C 32 174.600 174.600 174.270 0.330 18788 9936 1 14 . 1 1 32 32 MET CA C 32 55.800 55.800 54.959 0.841 18788 9937 1 14 . 1 1 32 32 MET CB C 32 37.200 37.200 37.310 -0.110 18788 9938 1 14 . 1 1 32 32 MET H H 32 9.570 9.570 9.301 0.269 18788 9939 1 14 . 1 1 33 33 THR N N 33 123.600 123.600 122.572 1.028 18788 9940 1 14 . 1 1 33 33 THR HA H 33 4.510 4.510 5.124 -0.614 18788 9941 1 14 . 1 1 33 33 THR C C 33 173.100 173.100 173.893 -0.793 18788 9942 1 14 . 1 1 33 33 THR CA C 33 64.300 64.300 62.516 1.784 18788 9943 1 14 . 1 1 33 33 THR CB C 33 68.800 68.800 69.563 -0.763 18788 9944 1 14 . 1 1 33 33 THR H H 33 8.990 8.990 8.579 0.411 18788 9945 1 14 . 1 1 34 34 PHE N N 34 126.100 126.100 126.858 -0.758 18788 9946 1 14 . 1 1 34 34 PHE HA H 34 4.890 4.890 4.957 -0.067 18788 9947 1 14 . 1 1 34 34 PHE C C 34 173.400 173.400 173.862 -0.462 18788 9948 1 14 . 1 1 34 34 PHE CA C 34 57.300 57.300 57.044 0.256 18788 9949 1 14 . 1 1 34 34 PHE CB C 34 41.900 41.900 42.076 -0.176 18788 9950 1 14 . 1 1 34 34 PHE H H 34 9.610 9.610 9.550 0.060 18788 9951 1 14 . 1 1 35 35 ARG N N 35 124.200 124.200 124.492 -0.292 18788 9952 1 14 . 1 1 35 35 ARG HA H 35 5.080 5.080 5.247 -0.167 18788 9953 1 14 . 1 1 35 35 ARG C C 35 174.600 174.600 174.170 0.430 18788 9954 1 14 . 1 1 35 35 ARG CA C 35 52.100 52.100 54.411 -2.311 18788 9955 1 14 . 1 1 35 35 ARG CB C 35 33.600 33.600 33.441 0.159 18788 9956 1 14 . 1 1 35 35 ARG H H 35 9.640 9.640 8.909 0.731 18788 9957 1 14 . 1 1 38 38 LEU HA H 38 4.330 4.330 4.218 0.112 18788 9958 1 14 . 1 1 38 38 LEU C C 38 175.200 175.200 176.674 -1.474 18788 9959 1 14 . 1 1 38 38 LEU CA C 38 56.600 56.600 55.950 0.650 18788 9960 1 14 . 1 1 38 38 LEU CB C 38 40.100 40.100 41.941 -1.841 18788 9961 1 14 . 1 1 39 39 VAL N N 39 104.500 104.500 111.296 -6.796 18788 9962 1 14 . 1 1 39 39 VAL HA H 39 5.580 5.580 5.057 0.523 18788 9963 1 14 . 1 1 39 39 VAL C C 39 175.600 175.600 174.413 1.187 18788 9964 1 14 . 1 1 39 39 VAL CA C 39 57.800 57.800 59.377 -1.577 18788 9965 1 14 . 1 1 39 39 VAL CB C 39 36.400 36.400 34.612 1.788 18788 9966 1 14 . 1 1 39 39 VAL H H 39 6.920 6.920 7.457 -0.537 18788 9967 1 14 . 1 1 40 40 ASP N N 40 121.500 121.500 122.038 -0.538 18788 9968 1 14 . 1 1 40 40 ASP HA H 40 5.260 5.260 5.269 -0.009 18788 9969 1 14 . 1 1 40 40 ASP C C 40 174.600 174.600 175.674 -1.074 18788 9970 1 14 . 1 1 40 40 ASP CA C 40 54.100 54.100 53.166 0.934 18788 9971 1 14 . 1 1 40 40 ASP CB C 40 44.100 44.100 44.271 -0.171 18788 9972 1 14 . 1 1 40 40 ASP H H 40 8.880 8.880 9.022 -0.142 18788 9973 1 14 . 1 1 41 41 THR N N 41 118.700 118.700 117.946 0.754 18788 9974 1 14 . 1 1 41 41 THR HA H 41 5.020 5.020 4.884 0.136 18788 9975 1 14 . 1 1 41 41 THR CA C 41 58.300 58.300 59.042 -0.742 18788 9976 1 14 . 1 1 41 41 THR CB C 41 68.900 68.900 68.882 0.018 18788 9977 1 14 . 1 1 41 41 THR H H 41 8.520 8.520 9.397 -0.877 18788 9978 1 14 . 1 1 42 42 PRO HA H 42 4.440 4.440 4.536 -0.096 18788 9979 1 14 . 1 1 42 42 PRO CA C 42 62.200 62.200 63.119 -0.919 18788 9980 1 14 . 1 1 42 42 PRO CB C 42 32.300 32.300 29.851 2.449 18788 9981 1 14 . 1 1 50 50 GLY C C 50 179.800 179.800 174.776 5.024 18788 9982 1 14 . 1 1 51 51 VAL N N 51 119.200 119.200 119.528 -0.328 18788 9983 1 14 . 1 1 51 51 VAL HA H 51 4.160 4.160 4.348 -0.188 18788 9984 1 14 . 1 1 51 51 VAL C C 51 178.600 178.600 174.305 4.295 18788 9985 1 14 . 1 1 51 51 VAL CA C 51 63.500 63.500 61.842 1.658 18788 9986 1 14 . 1 1 51 51 VAL H H 51 7.820 7.820 7.738 0.082 18788 9987 1 14 . 1 1 54 54 TYR C C 54 176.300 176.300 174.934 1.366 18788 9988 1 14 . 1 1 55 55 GLY N N 55 108.900 108.900 109.608 -0.708 18788 9989 1 14 . 1 1 55 55 GLY C C 55 174.300 174.300 171.962 2.338 18788 9990 1 14 . 1 1 55 55 GLY CA C 55 48.400 48.400 44.084 4.316 18788 9991 1 14 . 1 1 55 55 GLY H H 55 8.810 8.810 7.776 1.034 18788 9992 1 14 . 1 1 57 57 GLU HA H 57 4.010 4.010 4.200 -0.190 18788 9993 1 14 . 1 1 57 57 GLU C C 57 179.500 179.500 177.307 2.193 18788 9994 1 14 . 1 1 57 57 GLU CA C 57 61.700 61.700 57.412 4.288 18788 9995 1 14 . 1 1 58 58 ALA N N 58 125.000 125.000 123.611 1.389 18788 9996 1 14 . 1 1 58 58 ALA HA H 58 4.170 4.170 4.075 0.095 18788 9997 1 14 . 1 1 58 58 ALA C C 58 178.700 178.700 179.334 -0.634 18788 9998 1 14 . 1 1 58 58 ALA CA C 58 55.800 55.800 55.297 0.503 18788 9999 1 14 . 1 1 58 58 ALA CB C 58 18.200 18.200 18.334 -0.133 18788 10000 1 14 . 1 1 58 58 ALA H H 58 8.940 8.940 7.958 0.982 18788 10001 1 14 . 1 1 59 59 SER N N 59 111.900 111.900 114.207 -2.307 18788 10002 1 14 . 1 1 59 59 SER HA H 59 3.740 3.740 4.193 -0.453 18788 10003 1 14 . 1 1 59 59 SER C C 59 177.100 177.100 176.444 0.656 18788 10004 1 14 . 1 1 59 59 SER CA C 59 62.000 62.000 61.873 0.127 18788 10005 1 14 . 1 1 59 59 SER CB C 59 62.900 62.900 63.120 -0.220 18788 10006 1 14 . 1 1 59 59 SER H H 59 8.340 8.340 7.950 0.390 18788 10007 1 14 . 1 1 60 60 ALA N N 60 122.900 122.900 124.371 -1.471 18788 10008 1 14 . 1 1 60 60 ALA HA H 60 4.070 4.070 4.358 -0.288 18788 10009 1 14 . 1 1 60 60 ALA C C 60 179.100 179.100 179.254 -0.154 18788 10010 1 14 . 1 1 60 60 ALA CA C 60 55.100 55.100 54.407 0.693 18788 10011 1 14 . 1 1 60 60 ALA CB C 60 18.200 18.200 18.497 -0.297 18788 10012 1 14 . 1 1 60 60 ALA H H 60 8.440 8.440 7.246 1.194 18788 10013 1 14 . 1 1 61 61 PHE N N 61 121.700 121.700 119.896 1.804 18788 10014 1 14 . 1 1 61 61 PHE HA H 61 4.050 4.050 4.156 -0.106 18788 10015 1 14 . 1 1 61 61 PHE C C 61 178.100 178.100 177.430 0.670 18788 10016 1 14 . 1 1 61 61 PHE CA C 61 61.800 61.800 61.906 -0.106 18788 10017 1 14 . 1 1 61 61 PHE CB C 61 39.800 39.800 39.326 0.474 18788 10018 1 14 . 1 1 61 61 PHE H H 61 8.190 8.190 8.885 -0.695 18788 10019 1 14 . 1 1 62 62 THR N N 62 120.200 120.200 115.116 5.084 18788 10020 1 14 . 1 1 62 62 THR HA H 62 3.560 3.560 3.862 -0.302 18788 10021 1 14 . 1 1 62 62 THR C C 62 175.300 175.300 176.444 -1.144 18788 10022 1 14 . 1 1 62 62 THR CA C 62 67.600 67.600 67.038 0.562 18788 10023 1 14 . 1 1 62 62 THR CB C 62 68.400 68.400 68.361 0.039 18788 10024 1 14 . 1 1 62 62 THR H H 62 8.540 8.540 8.674 -0.134 18788 10025 1 14 . 1 1 63 63 LYS N N 63 120.000 120.000 122.294 -2.294 18788 10026 1 14 . 1 1 63 63 LYS HA H 63 3.560 3.560 3.806 -0.246 18788 10027 1 14 . 1 1 63 63 LYS C C 63 176.800 176.800 178.759 -1.959 18788 10028 1 14 . 1 1 63 63 LYS CA C 63 60.400 60.400 60.072 0.328 18788 10029 1 14 . 1 1 63 63 LYS CB C 63 33.300 33.300 32.314 0.986 18788 10030 1 14 . 1 1 63 63 LYS H H 63 7.910 7.910 7.572 0.339 18788 10031 1 14 . 1 1 64 64 LYS N N 64 117.200 117.200 118.137 -0.937 18788 10032 1 14 . 1 1 64 64 LYS HA H 64 3.940 3.940 3.931 0.009 18788 10033 1 14 . 1 1 64 64 LYS C C 64 178.700 178.700 179.280 -0.580 18788 10034 1 14 . 1 1 64 64 LYS CA C 64 59.200 59.200 59.518 -0.318 18788 10035 1 14 . 1 1 64 64 LYS CB C 64 31.900 31.900 32.396 -0.496 18788 10036 1 14 . 1 1 64 64 LYS H H 64 8.000 8.000 8.290 -0.290 18788 10037 1 14 . 1 1 65 65 MET N N 65 116.200 116.200 116.468 -0.268 18788 10038 1 14 . 1 1 65 65 MET HA H 65 3.890 3.890 4.112 -0.222 18788 10039 1 14 . 1 1 65 65 MET C C 65 179.200 179.200 178.123 1.077 18788 10040 1 14 . 1 1 65 65 MET CA C 65 59.800 59.800 58.652 1.148 18788 10041 1 14 . 1 1 65 65 MET CB C 65 32.200 32.200 32.617 -0.417 18788 10042 1 14 . 1 1 65 65 MET H H 65 7.680 7.680 7.393 0.287 18788 10043 1 14 . 1 1 66 66 VAL N N 66 107.700 107.700 112.649 -4.949 18788 10044 1 14 . 1 1 66 66 VAL HA H 66 4.150 4.150 3.905 0.245 18788 10045 1 14 . 1 1 66 66 VAL C C 66 177.500 177.500 177.503 -0.003 18788 10046 1 14 . 1 1 66 66 VAL CA C 66 64.300 64.300 64.378 -0.078 18788 10047 1 14 . 1 1 66 66 VAL CB C 66 31.100 31.100 32.164 -1.064 18788 10048 1 14 . 1 1 66 66 VAL H H 66 8.220 8.220 7.726 0.494 18788 10049 1 14 . 1 1 67 67 GLU N N 67 121.000 121.000 118.341 2.659 18788 10050 1 14 . 1 1 67 67 GLU HA H 67 3.960 3.960 4.146 -0.186 18788 10051 1 14 . 1 1 67 67 GLU C C 67 178.000 178.000 177.737 0.263 18788 10052 1 14 . 1 1 67 67 GLU CA C 67 59.200 59.200 58.506 0.694 18788 10053 1 14 . 1 1 67 67 GLU CB C 67 29.100 29.100 29.916 -0.816 18788 10054 1 14 . 1 1 67 67 GLU H H 67 8.750 8.750 8.270 0.480 18788 10055 1 14 . 1 1 68 68 ASN N N 68 113.400 113.400 116.413 -3.013 18788 10056 1 14 . 1 1 68 68 ASN HA H 68 4.660 4.660 4.720 -0.060 18788 10057 1 14 . 1 1 68 68 ASN C C 68 174.600 174.600 174.294 0.306 18788 10058 1 14 . 1 1 68 68 ASN CA C 68 53.400 53.400 53.450 -0.050 18788 10059 1 14 . 1 1 68 68 ASN CB C 68 38.900 38.900 39.026 -0.126 18788 10060 1 14 . 1 1 68 68 ASN H H 68 7.400 7.400 8.000 -0.600 18788 10061 1 14 . 1 1 69 69 ALA N N 69 121.100 121.100 122.175 -1.075 18788 10062 1 14 . 1 1 69 69 ALA HA H 69 4.490 4.490 4.488 0.002 18788 10063 1 14 . 1 1 69 69 ALA C C 69 177.800 177.800 177.812 -0.012 18788 10064 1 14 . 1 1 69 69 ALA CA C 69 51.400 51.400 51.839 -0.439 18788 10065 1 14 . 1 1 69 69 ALA CB C 69 19.200 19.200 19.296 -0.096 18788 10066 1 14 . 1 1 69 69 ALA H H 69 6.680 6.680 7.005 -0.325 18788 10067 1 14 . 1 1 70 70 LYS N N 70 125.700 125.700 122.663 3.037 18788 10068 1 14 . 1 1 70 70 LYS HA H 70 4.370 4.370 4.124 0.246 18788 10069 1 14 . 1 1 70 70 LYS C C 70 177.800 177.800 176.322 1.478 18788 10070 1 14 . 1 1 70 70 LYS CA C 70 57.800 57.800 57.459 0.341 18788 10071 1 14 . 1 1 70 70 LYS CB C 70 32.000 32.000 32.882 -0.882 18788 10072 1 14 . 1 1 70 70 LYS H H 70 10.130 10.130 8.660 1.470 18788 10073 1 14 . 1 1 71 71 LYS N N 71 121.300 121.300 116.453 4.847 18788 10074 1 14 . 1 1 71 71 LYS HA H 71 4.660 4.660 4.513 0.147 18788 10075 1 14 . 1 1 71 71 LYS C C 71 174.600 174.600 174.617 -0.017 18788 10076 1 14 . 1 1 71 71 LYS CA C 71 55.500 55.500 55.226 0.274 18788 10077 1 14 . 1 1 71 71 LYS CB C 71 35.400 35.400 33.763 1.637 18788 10078 1 14 . 1 1 71 71 LYS H H 71 8.920 8.920 7.481 1.439 18788 10079 1 14 . 1 1 72 72 ILE N N 72 128.900 128.900 126.844 2.056 18788 10080 1 14 . 1 1 72 72 ILE HA H 72 5.240 5.240 4.907 0.333 18788 10081 1 14 . 1 1 72 72 ILE C C 72 175.300 175.300 175.090 0.210 18788 10082 1 14 . 1 1 72 72 ILE CA C 72 58.700 58.700 60.734 -2.034 18788 10083 1 14 . 1 1 72 72 ILE CB C 72 38.100 38.100 39.148 -1.048 18788 10084 1 14 . 1 1 72 72 ILE H H 72 8.960 8.960 8.302 0.658 18788 10085 1 14 . 1 1 73 73 GLU N N 73 123.100 123.100 126.918 -3.818 18788 10086 1 14 . 1 1 73 73 GLU HA H 73 5.240 5.240 5.271 -0.031 18788 10087 1 14 . 1 1 73 73 GLU C C 73 174.900 174.900 175.375 -0.475 18788 10088 1 14 . 1 1 73 73 GLU CA C 73 53.600 53.600 54.566 -0.966 18788 10089 1 14 . 1 1 73 73 GLU CB C 73 36.200 36.200 33.572 2.628 18788 10090 1 14 . 1 1 73 73 GLU H H 73 8.810 8.810 9.160 -0.350 18788 10091 1 14 . 1 1 74 74 VAL N N 74 117.300 117.300 119.243 -1.943 18788 10092 1 14 . 1 1 74 74 VAL HA H 74 4.550 4.550 4.720 -0.170 18788 10093 1 14 . 1 1 74 74 VAL C C 74 174.000 174.000 174.148 -0.148 18788 10094 1 14 . 1 1 74 74 VAL CA C 74 59.500 59.500 59.837 -0.337 18788 10095 1 14 . 1 1 74 74 VAL CB C 74 34.200 34.200 33.234 0.966 18788 10096 1 14 . 1 1 74 74 VAL H H 74 9.510 9.510 9.083 0.427 18788 10097 1 14 . 1 1 75 75 GLU N N 75 126.900 126.900 127.945 -1.045 18788 10098 1 14 . 1 1 75 75 GLU HA H 75 5.160 5.160 5.218 -0.058 18788 10099 1 14 . 1 1 75 75 GLU C C 75 175.600 175.600 175.690 -0.090 18788 10100 1 14 . 1 1 75 75 GLU CA C 75 54.500 54.500 53.725 0.775 18788 10101 1 14 . 1 1 75 75 GLU CB C 75 35.900 35.900 32.423 3.477 18788 10102 1 14 . 1 1 75 75 GLU H H 75 8.860 8.860 9.140 -0.280 18788 10103 1 14 . 1 1 76 76 PHE N N 76 126.400 126.400 127.067 -0.667 18788 10104 1 14 . 1 1 76 76 PHE HA H 76 4.740 4.740 5.032 -0.292 18788 10105 1 14 . 1 1 76 76 PHE C C 76 175.600 175.600 176.034 -0.434 18788 10106 1 14 . 1 1 76 76 PHE CA C 76 59.500 59.500 58.871 0.629 18788 10107 1 14 . 1 1 76 76 PHE CB C 76 39.700 39.700 39.930 -0.230 18788 10108 1 14 . 1 1 76 76 PHE H H 76 8.770 8.770 8.069 0.701 18788 10109 1 14 . 1 1 77 77 ASP N N 77 123.000 123.000 122.217 0.783 18788 10110 1 14 . 1 1 77 77 ASP HA H 77 5.310 5.310 4.979 0.331 18788 10111 1 14 . 1 1 77 77 ASP C C 77 177.600 177.600 176.715 0.885 18788 10112 1 14 . 1 1 77 77 ASP CA C 77 51.800 51.800 53.557 -1.757 18788 10113 1 14 . 1 1 77 77 ASP CB C 77 42.900 42.900 43.594 -0.694 18788 10114 1 14 . 1 1 77 77 ASP H H 77 9.310 9.310 8.340 0.970 18788 10115 1 14 . 1 1 78 78 LYS N N 78 119.100 119.100 118.938 0.162 18788 10116 1 14 . 1 1 78 78 LYS HA H 78 4.240 4.240 4.309 -0.069 18788 10117 1 14 . 1 1 78 78 LYS C C 78 177.100 177.100 177.201 -0.101 18788 10118 1 14 . 1 1 78 78 LYS CA C 78 57.700 57.700 57.467 0.233 18788 10119 1 14 . 1 1 78 78 LYS CB C 78 33.400 33.400 32.477 0.923 18788 10120 1 14 . 1 1 78 78 LYS H H 78 10.360 10.360 8.663 1.697 18788 10121 1 14 . 1 1 79 79 GLY N N 79 111.100 111.100 109.462 1.638 18788 10122 1 14 . 1 1 79 79 GLY C C 79 173.600 173.600 174.337 -0.737 18788 10123 1 14 . 1 1 79 79 GLY CA C 79 44.500 44.500 44.618 -0.118 18788 10124 1 14 . 1 1 79 79 GLY H H 79 8.680 8.680 7.602 1.078 18788 10125 1 14 . 1 1 80 80 GLN N N 80 124.800 124.800 120.716 4.084 18788 10126 1 14 . 1 1 80 80 GLN HA H 80 4.140 4.140 4.451 -0.311 18788 10127 1 14 . 1 1 80 80 GLN C C 80 176.900 176.900 175.899 1.001 18788 10128 1 14 . 1 1 80 80 GLN CA C 80 57.200 57.200 55.837 1.363 18788 10129 1 14 . 1 1 80 80 GLN CB C 80 29.200 29.200 30.005 -0.805 18788 10130 1 14 . 1 1 80 80 GLN H H 80 8.800 8.800 8.655 0.145 18788 10131 1 14 . 1 1 81 81 ARG N N 81 120.700 120.700 122.730 -2.030 18788 10132 1 14 . 1 1 81 81 ARG HA H 81 4.620 4.620 4.282 0.338 18788 10133 1 14 . 1 1 81 81 ARG C C 81 176.200 176.200 175.232 0.968 18788 10134 1 14 . 1 1 81 81 ARG CA C 81 57.500 57.500 58.023 -0.523 18788 10135 1 14 . 1 1 81 81 ARG CB C 81 32.000 32.000 30.926 1.074 18788 10136 1 14 . 1 1 81 81 ARG H H 81 8.640 8.640 8.614 0.026 18788 10137 1 14 . 1 1 82 82 THR N N 82 107.900 107.900 107.361 0.539 18788 10138 1 14 . 1 1 82 82 THR HA H 82 5.540 5.540 4.928 0.612 18788 10139 1 14 . 1 1 82 82 THR C C 82 174.600 174.600 173.681 0.919 18788 10140 1 14 . 1 1 82 82 THR CA C 82 58.400 58.400 59.075 -0.675 18788 10141 1 14 . 1 1 82 82 THR CB C 82 72.500 72.500 72.540 -0.040 18788 10142 1 14 . 1 1 82 82 THR H H 82 7.300 7.300 7.362 -0.062 18788 10143 1 14 . 1 1 83 83 ASP N N 83 121.300 121.300 121.056 0.244 18788 10144 1 14 . 1 1 83 83 ASP HA H 83 4.660 4.660 4.482 0.178 18788 10145 1 14 . 1 1 83 83 ASP C C 83 179.000 179.000 177.495 1.505 18788 10146 1 14 . 1 1 83 83 ASP CA C 83 51.700 51.700 53.004 -1.304 18788 10147 1 14 . 1 1 83 83 ASP CB C 83 42.100 42.100 42.321 -0.221 18788 10148 1 14 . 1 1 83 83 ASP H H 83 8.590 8.590 9.016 -0.426 18788 10149 1 14 . 1 1 85 85 TYR N N 85 119.300 119.300 118.658 0.642 18788 10150 1 14 . 1 1 85 85 TYR HA H 85 4.600 4.600 4.372 0.228 18788 10151 1 14 . 1 1 85 85 TYR C C 85 176.100 176.100 175.555 0.545 18788 10152 1 14 . 1 1 85 85 TYR CA C 85 57.100 57.100 58.733 -1.633 18788 10153 1 14 . 1 1 85 85 TYR CB C 85 37.900 37.900 39.232 -1.332 18788 10154 1 14 . 1 1 85 85 TYR H H 85 7.650 7.650 8.232 -0.582 18788 10155 1 14 . 1 1 86 86 GLY N N 86 108.500 108.500 107.067 1.433 18788 10156 1 14 . 1 1 86 86 GLY C C 86 174.400 174.400 173.826 0.574 18788 10157 1 14 . 1 1 86 86 GLY CA C 86 45.400 45.400 44.807 0.593 18788 10158 1 14 . 1 1 86 86 GLY H H 86 8.120 8.120 7.679 0.441 18788 10159 1 14 . 1 1 87 87 ARG N N 87 121.600 121.600 120.617 0.983 18788 10160 1 14 . 1 1 87 87 ARG HA H 87 4.430 4.430 4.624 -0.194 18788 10161 1 14 . 1 1 87 87 ARG C C 87 177.000 177.000 176.380 0.620 18788 10162 1 14 . 1 1 87 87 ARG CA C 87 55.300 55.300 54.943 0.357 18788 10163 1 14 . 1 1 87 87 ARG CB C 87 30.000 30.000 31.485 -1.486 18788 10164 1 14 . 1 1 87 87 ARG H H 87 8.600 8.600 8.541 0.059 18788 10165 1 14 . 1 1 88 88 GLY N N 88 108.000 108.000 109.582 -1.582 18788 10166 1 14 . 1 1 88 88 GLY C C 88 171.800 171.800 173.053 -1.253 18788 10167 1 14 . 1 1 88 88 GLY CA C 88 44.800 44.800 44.450 0.350 18788 10168 1 14 . 1 1 88 88 GLY H H 88 8.780 8.780 8.558 0.222 18788 10169 1 14 . 1 1 89 89 LEU N N 89 125.100 125.100 127.498 -2.398 18788 10170 1 14 . 1 1 89 89 LEU HA H 89 5.190 5.190 4.462 0.728 18788 10171 1 14 . 1 1 89 89 LEU C C 89 174.800 174.800 175.368 -0.568 18788 10172 1 14 . 1 1 89 89 LEU CA C 89 52.800 52.800 54.109 -1.309 18788 10173 1 14 . 1 1 89 89 LEU CB C 89 42.900 42.900 40.950 1.950 18788 10174 1 14 . 1 1 89 89 LEU H H 89 8.220 8.220 8.600 -0.380 18788 10175 1 14 . 1 1 90 90 ALA N N 90 119.900 119.900 124.559 -4.659 18788 10176 1 14 . 1 1 90 90 ALA HA H 90 4.790 4.790 4.609 0.181 18788 10177 1 14 . 1 1 90 90 ALA C C 90 177.000 177.000 175.803 1.197 18788 10178 1 14 . 1 1 90 90 ALA CA C 90 50.800 50.800 50.247 0.553 18788 10179 1 14 . 1 1 90 90 ALA CB C 90 23.700 23.700 22.181 1.519 18788 10180 1 14 . 1 1 90 90 ALA H H 90 7.400 7.400 7.627 -0.227 18788 10181 1 14 . 1 1 91 91 TYR N N 91 122.400 122.400 119.932 2.468 18788 10182 1 14 . 1 1 91 91 TYR HA H 91 4.650 4.650 4.590 0.060 18788 10183 1 14 . 1 1 91 91 TYR C C 91 174.600 174.600 175.680 -1.080 18788 10184 1 14 . 1 1 91 91 TYR CA C 91 57.200 57.200 58.376 -1.176 18788 10185 1 14 . 1 1 91 91 TYR CB C 91 37.600 37.600 39.071 -1.471 18788 10186 1 14 . 1 1 91 91 TYR H H 91 9.000 9.000 8.919 0.081 18788 10187 1 14 . 1 1 92 92 ILE N N 92 122.200 122.200 124.107 -1.907 18788 10188 1 14 . 1 1 92 92 ILE HA H 92 4.950 4.950 4.656 0.294 18788 10189 1 14 . 1 1 92 92 ILE C C 92 173.700 173.700 175.088 -1.388 18788 10190 1 14 . 1 1 92 92 ILE CA C 92 58.700 58.700 60.409 -1.709 18788 10191 1 14 . 1 1 92 92 ILE CB C 92 38.900 38.900 39.479 -0.579 18788 10192 1 14 . 1 1 92 92 ILE H H 92 7.830 7.830 9.329 -1.499 18788 10193 1 14 . 1 1 93 93 TYR N N 93 126.200 126.200 126.577 -0.377 18788 10194 1 14 . 1 1 93 93 TYR HA H 93 5.080 5.080 5.265 -0.185 18788 10195 1 14 . 1 1 93 93 TYR C C 93 173.900 173.900 174.518 -0.618 18788 10196 1 14 . 1 1 93 93 TYR CA C 93 56.500 56.500 55.822 0.678 18788 10197 1 14 . 1 1 93 93 TYR CB C 93 41.500 41.500 40.884 0.616 18788 10198 1 14 . 1 1 93 93 TYR H H 93 9.540 9.540 9.387 0.153 18788 10199 1 14 . 1 1 94 94 ALA N N 94 125.700 125.700 126.158 -0.458 18788 10200 1 14 . 1 1 94 94 ALA HA H 94 4.960 4.960 4.658 0.302 18788 10201 1 14 . 1 1 94 94 ALA C C 94 175.700 175.700 176.996 -1.296 18788 10202 1 14 . 1 1 94 94 ALA CA C 94 49.700 49.700 50.545 -0.845 18788 10203 1 14 . 1 1 94 94 ALA CB C 94 20.900 20.900 19.073 1.827 18788 10204 1 14 . 1 1 94 94 ALA H H 94 9.230 9.230 9.171 0.059 18788 10205 1 14 . 1 1 95 95 ASP N N 95 127.600 127.600 122.055 5.545 18788 10206 1 14 . 1 1 95 95 ASP HA H 95 4.430 4.430 4.230 0.200 18788 10207 1 14 . 1 1 95 95 ASP C C 95 176.100 176.100 176.475 -0.375 18788 10208 1 14 . 1 1 95 95 ASP CA C 95 56.500 56.500 54.786 1.714 18788 10209 1 14 . 1 1 95 95 ASP CB C 95 39.500 39.500 38.728 0.772 18788 10210 1 14 . 1 1 95 95 ASP H H 95 9.720 9.720 9.115 0.605 18788 10211 1 14 . 1 1 96 96 GLY N N 96 103.000 103.000 104.194 -1.194 18788 10212 1 14 . 1 1 96 96 GLY C C 96 173.800 173.800 174.322 -0.522 18788 10213 1 14 . 1 1 96 96 GLY CA C 96 45.400 45.400 44.908 0.492 18788 10214 1 14 . 1 1 96 96 GLY H H 96 9.420 9.420 8.646 0.774 18788 10215 1 14 . 1 1 97 97 LYS N N 97 121.400 121.400 123.066 -1.666 18788 10216 1 14 . 1 1 97 97 LYS HA H 97 4.670 4.670 4.573 0.097 18788 10217 1 14 . 1 1 97 97 LYS C C 97 176.000 176.000 175.652 0.348 18788 10218 1 14 . 1 1 97 97 LYS CA C 97 54.200 54.200 55.333 -1.133 18788 10219 1 14 . 1 1 97 97 LYS CB C 97 33.100 33.100 33.311 -0.211 18788 10220 1 14 . 1 1 97 97 LYS H H 97 7.870 7.870 8.190 -0.320 18788 10221 1 14 . 1 1 98 98 MET N N 98 127.000 127.000 126.624 0.376 18788 10222 1 14 . 1 1 98 98 MET HA H 98 3.780 3.780 4.145 -0.365 18788 10223 1 14 . 1 1 98 98 MET C C 98 177.700 177.700 176.909 0.791 18788 10224 1 14 . 1 1 98 98 MET CA C 98 56.100 56.100 56.202 -0.102 18788 10225 1 14 . 1 1 98 98 MET CB C 98 34.700 34.700 32.506 2.194 18788 10226 1 14 . 1 1 98 98 MET H H 98 9.280 9.280 9.058 0.222 18788 10227 1 14 . 1 1 99 99 VAL N N 99 103.700 103.700 127.981 -24.281 18788 10228 1 14 . 1 1 99 99 VAL HA H 99 3.730 3.730 3.628 0.102 18788 10229 1 14 . 1 1 99 99 VAL C C 99 177.200 177.200 177.735 -0.535 18788 10230 1 14 . 1 1 99 99 VAL CA C 99 66.100 66.100 66.585 -0.485 18788 10231 1 14 . 1 1 99 99 VAL CB C 99 32.400 32.400 31.679 0.721 18788 10232 1 14 . 1 1 99 99 VAL H H 99 10.190 10.190 8.957 1.233 18788 10233 1 14 . 1 1 100 100 ASN N N 100 108.600 108.600 118.054 -9.454 18788 10234 1 14 . 1 1 100 100 ASN HA H 100 4.080 4.080 4.229 -0.149 18788 10235 1 14 . 1 1 100 100 ASN C C 100 174.200 174.200 177.023 -2.823 18788 10236 1 14 . 1 1 100 100 ASN CA C 100 57.200 57.200 57.666 -0.466 18788 10237 1 14 . 1 1 100 100 ASN CB C 100 34.700 34.700 37.842 -3.142 18788 10238 1 14 . 1 1 100 100 ASN H H 100 9.670 9.670 7.813 1.857 18788 10239 1 14 . 1 1 101 101 GLU N N 101 112.800 112.800 120.589 -7.789 18788 10240 1 14 . 1 1 101 101 GLU HA H 101 3.660 3.660 3.927 -0.267 18788 10241 1 14 . 1 1 101 101 GLU C C 101 176.100 176.100 177.987 -1.887 18788 10242 1 14 . 1 1 101 101 GLU CA C 101 59.800 59.800 59.574 0.226 18788 10243 1 14 . 1 1 101 101 GLU CB C 101 30.200 30.200 29.550 0.650 18788 10244 1 14 . 1 1 101 101 GLU H H 101 6.150 6.150 8.199 -2.049 18788 10245 1 14 . 1 1 102 102 ALA N N 102 122.600 122.600 122.532 0.068 18788 10246 1 14 . 1 1 102 102 ALA HA H 102 4.070 4.070 4.130 -0.060 18788 10247 1 14 . 1 1 102 102 ALA C C 102 179.800 179.800 180.153 -0.353 18788 10248 1 14 . 1 1 102 102 ALA CA C 102 55.300 55.300 55.231 0.069 18788 10249 1 14 . 1 1 102 102 ALA CB C 102 17.900 17.900 18.354 -0.454 18788 10250 1 14 . 1 1 102 102 ALA H H 102 7.810 7.810 7.889 -0.079 18788 10251 1 14 . 1 1 103 103 LEU N N 103 116.100 116.100 118.918 -2.818 18788 10252 1 14 . 1 1 103 103 LEU HA H 103 3.280 3.280 3.909 -0.629 18788 10253 1 14 . 1 1 103 103 LEU C C 103 178.900 178.900 179.134 -0.234 18788 10254 1 14 . 1 1 103 103 LEU CA C 103 57.800 57.800 57.983 -0.183 18788 10255 1 14 . 1 1 103 103 LEU CB C 103 45.500 45.500 41.582 3.918 18788 10256 1 14 . 1 1 103 103 LEU H H 103 8.070 8.070 8.565 -0.495 18788 10257 1 14 . 1 1 104 104 VAL N N 104 116.600 116.600 118.733 -2.133 18788 10258 1 14 . 1 1 104 104 VAL HA H 104 3.870 3.870 4.167 -0.297 18788 10259 1 14 . 1 1 104 104 VAL C C 104 180.300 180.300 179.631 0.669 18788 10260 1 14 . 1 1 104 104 VAL CA C 104 65.000 65.000 65.377 -0.377 18788 10261 1 14 . 1 1 104 104 VAL CB C 104 32.000 32.000 31.028 0.972 18788 10262 1 14 . 1 1 104 104 VAL H H 104 6.890 6.890 7.736 -0.846 18788 10263 1 14 . 1 1 105 105 ARG N N 105 122.400 122.400 120.448 1.952 18788 10264 1 14 . 1 1 105 105 ARG HA H 105 4.130 4.130 4.224 -0.094 18788 10265 1 14 . 1 1 105 105 ARG C C 105 176.000 176.000 177.725 -1.725 18788 10266 1 14 . 1 1 105 105 ARG CA C 105 57.000 57.000 59.069 -2.069 18788 10267 1 14 . 1 1 105 105 ARG CB C 105 28.300 28.300 30.211 -1.911 18788 10268 1 14 . 1 1 105 105 ARG H H 105 9.140 9.140 8.459 0.681 18788 10269 1 14 . 1 1 106 106 GLN N N 106 112.000 112.000 115.749 -3.749 18788 10270 1 14 . 1 1 106 106 GLN HA H 106 4.320 4.320 4.263 0.057 18788 10271 1 14 . 1 1 106 106 GLN C C 106 175.600 175.600 175.442 0.158 18788 10272 1 14 . 1 1 106 106 GLN CA C 106 53.800 53.800 54.525 -0.725 18788 10273 1 14 . 1 1 106 106 GLN CB C 106 28.300 28.300 28.960 -0.660 18788 10274 1 14 . 1 1 106 106 GLN H H 106 7.120 7.120 7.887 -0.767 18788 10275 1 14 . 1 1 107 107 GLY N N 107 107.100 107.100 106.912 0.188 18788 10276 1 14 . 1 1 107 107 GLY C C 107 172.400 172.400 174.176 -1.776 18788 10277 1 14 . 1 1 107 107 GLY CA C 107 46.300 46.300 46.263 0.037 18788 10278 1 14 . 1 1 107 107 GLY H H 107 8.080 8.080 7.808 0.272 18788 10279 1 14 . 1 1 108 108 LEU N N 108 115.100 115.100 118.028 -2.928 18788 10280 1 14 . 1 1 108 108 LEU HA H 108 4.300 4.300 4.520 -0.220 18788 10281 1 14 . 1 1 108 108 LEU C C 108 172.500 172.500 174.928 -2.428 18788 10282 1 14 . 1 1 108 108 LEU CA C 108 53.300 53.300 54.273 -0.973 18788 10283 1 14 . 1 1 108 108 LEU CB C 108 43.500 43.500 43.410 0.090 18788 10284 1 14 . 1 1 108 108 LEU H H 108 7.810 7.810 8.611 -0.801 18788 10285 1 14 . 1 1 109 109 ALA N N 109 112.900 112.900 119.335 -6.435 18788 10286 1 14 . 1 1 109 109 ALA HA H 109 4.500 4.500 4.756 -0.256 18788 10287 1 14 . 1 1 109 109 ALA C C 109 174.800 174.800 175.620 -0.820 18788 10288 1 14 . 1 1 109 109 ALA CA C 109 49.900 49.900 50.554 -0.654 18788 10289 1 14 . 1 1 109 109 ALA CB C 109 24.900 24.900 21.854 3.046 18788 10290 1 14 . 1 1 109 109 ALA H H 109 6.950 6.950 7.503 -0.553 18788 10291 1 14 . 1 1 110 110 LYS N N 110 117.700 117.700 121.125 -3.425 18788 10292 1 14 . 1 1 110 110 LYS HA H 110 5.120 5.120 4.941 0.179 18788 10293 1 14 . 1 1 110 110 LYS C C 110 175.800 175.800 175.893 -0.093 18788 10294 1 14 . 1 1 110 110 LYS CA C 110 53.800 53.800 54.872 -1.072 18788 10295 1 14 . 1 1 110 110 LYS CB C 110 35.300 35.300 35.283 0.017 18788 10296 1 14 . 1 1 110 110 LYS H H 110 7.890 7.890 8.842 -0.952 18788 10297 1 14 . 1 1 111 111 VAL N N 111 123.100 123.100 120.706 2.394 18788 10298 1 14 . 1 1 111 111 VAL HA H 111 4.630 4.630 4.440 0.190 18788 10299 1 14 . 1 1 111 111 VAL C C 111 176.500 176.500 175.505 0.995 18788 10300 1 14 . 1 1 111 111 VAL CA C 111 63.100 63.100 62.710 0.390 18788 10301 1 14 . 1 1 111 111 VAL CB C 111 30.600 30.600 32.168 -1.568 18788 10302 1 14 . 1 1 111 111 VAL H H 111 9.180 9.180 9.112 0.068 18788 10303 1 14 . 1 1 112 112 ALA N N 112 131.500 131.500 129.799 1.701 18788 10304 1 14 . 1 1 112 112 ALA HA H 112 4.150 4.150 4.715 -0.565 18788 10305 1 14 . 1 1 112 112 ALA C C 112 173.300 173.300 175.932 -2.632 18788 10306 1 14 . 1 1 112 112 ALA CA C 112 51.300 51.300 50.511 0.788 18788 10307 1 14 . 1 1 112 112 ALA CB C 112 23.900 23.900 21.416 2.483 18788 10308 1 14 . 1 1 112 112 ALA H H 112 8.000 8.000 8.431 -0.431 18788 10309 1 14 . 1 1 114 114 VAL N N 114 123.100 123.100 129.288 -6.188 18788 10310 1 14 . 1 1 114 114 VAL HA H 114 3.550 3.550 3.809 -0.259 18788 10311 1 14 . 1 1 114 114 VAL C C 114 174.600 174.600 174.973 -0.373 18788 10312 1 14 . 1 1 114 114 VAL CA C 114 62.000 62.000 62.873 -0.873 18788 10313 1 14 . 1 1 114 114 VAL CB C 114 30.300 30.300 31.931 -1.631 18788 10314 1 14 . 1 1 114 114 VAL H H 114 7.480 7.480 8.134 -0.654 18788 10315 1 14 . 1 1 115 115 TYR N N 115 130.100 130.100 129.105 0.995 18788 10316 1 14 . 1 1 115 115 TYR HA H 115 4.940 4.940 4.541 0.399 18788 10317 1 14 . 1 1 115 115 TYR C C 115 175.700 175.700 174.263 1.437 18788 10318 1 14 . 1 1 115 115 TYR CA C 115 54.900 54.900 56.973 -2.073 18788 10319 1 14 . 1 1 115 115 TYR CB C 115 38.200 38.200 39.518 -1.318 18788 10320 1 14 . 1 1 115 115 TYR H H 115 8.970 8.970 8.625 0.345 18788 10321 1 14 . 1 1 116 116 LYS N N 116 125.400 125.400 128.341 -2.941 18788 10322 1 14 . 1 1 116 116 LYS HA H 116 3.940 3.940 4.496 -0.556 18788 10323 1 14 . 1 1 116 116 LYS C C 116 175.100 175.100 175.453 -0.353 18788 10324 1 14 . 1 1 116 116 LYS CA C 116 56.400 56.400 54.156 2.244 18788 10325 1 14 . 1 1 116 116 LYS CB C 116 31.600 31.600 31.982 -0.382 18788 10326 1 14 . 1 1 116 116 LYS H H 116 8.770 8.770 8.263 0.507 18788 10327 1 14 . 1 1 117 117 PRO HA H 117 4.620 4.620 4.481 0.139 18788 10328 1 14 . 1 1 117 117 PRO C C 117 175.600 175.600 175.979 -0.379 18788 10329 1 14 . 1 1 117 117 PRO CA C 117 64.100 64.100 63.030 1.070 18788 10330 1 14 . 1 1 117 117 PRO CB C 117 32.600 32.600 31.856 0.744 18788 10331 1 14 . 1 1 118 118 ASN N N 118 128.800 128.800 120.421 8.379 18788 10332 1 14 . 1 1 118 118 ASN HA H 118 5.310 5.310 4.876 0.434 18788 10333 1 14 . 1 1 118 118 ASN C C 118 174.500 174.500 173.788 0.712 18788 10334 1 14 . 1 1 118 118 ASN CA C 118 51.600 51.600 53.188 -1.588 18788 10335 1 14 . 1 1 118 118 ASN CB C 118 36.200 36.200 37.169 -0.968 18788 10336 1 14 . 1 1 118 118 ASN H H 118 8.710 8.710 7.704 1.006 18788 10337 1 14 . 1 1 119 119 ASN N N 119 117.600 117.600 117.878 -0.278 18788 10338 1 14 . 1 1 119 119 ASN HA H 119 5.020 5.020 4.991 0.029 18788 10339 1 14 . 1 1 119 119 ASN C C 119 177.500 177.500 174.429 3.071 18788 10340 1 14 . 1 1 119 119 ASN CA C 119 51.900 51.900 53.072 -1.172 18788 10341 1 14 . 1 1 119 119 ASN CB C 119 39.100 39.100 40.111 -1.011 18788 10342 1 14 . 1 1 119 119 ASN H H 119 8.120 8.120 8.151 -0.031 18788 10343 1 14 . 1 1 120 120 THR N N 120 124.400 124.400 115.868 8.532 18788 10344 1 14 . 1 1 120 120 THR HA H 120 3.850 3.850 4.548 -0.698 18788 10345 1 14 . 1 1 120 120 THR C C 120 176.400 176.400 174.445 1.955 18788 10346 1 14 . 1 1 120 120 THR CA C 120 69.100 69.100 63.010 6.090 18788 10347 1 14 . 1 1 120 120 THR CB C 120 66.800 66.800 69.910 -3.110 18788 10348 1 14 . 1 1 120 120 THR H H 120 10.730 10.730 8.879 1.851 18788 10349 1 14 . 1 1 121 121 HIS N N 121 113.400 113.400 119.230 -5.830 18788 10350 1 14 . 1 1 121 121 HIS HA H 121 5.420 5.420 4.766 0.654 18788 10351 1 14 . 1 1 121 121 HIS C C 121 174.800 174.800 175.491 -0.691 18788 10352 1 14 . 1 1 121 121 HIS CA C 121 53.900 53.900 54.984 -1.085 18788 10353 1 14 . 1 1 121 121 HIS CB C 121 29.400 29.400 30.560 -1.160 18788 10354 1 14 . 1 1 121 121 HIS H H 121 6.860 6.860 7.753 -0.893 18788 10355 1 14 . 1 1 122 122 GLU N N 122 120.200 120.200 122.468 -2.268 18788 10356 1 14 . 1 1 122 122 GLU HA H 122 3.700 3.700 4.030 -0.330 18788 10357 1 14 . 1 1 122 122 GLU C C 122 177.200 177.200 178.159 -0.959 18788 10358 1 14 . 1 1 122 122 GLU CA C 122 61.200 61.200 59.850 1.350 18788 10359 1 14 . 1 1 122 122 GLU CB C 122 29.900 29.900 28.701 1.199 18788 10360 1 14 . 1 1 122 122 GLU H H 122 7.540 7.540 9.136 -1.596 18788 10361 1 14 . 1 1 123 123 GLN N N 123 117.200 117.200 117.734 -0.534 18788 10362 1 14 . 1 1 123 123 GLN HA H 123 3.970 3.970 4.203 -0.233 18788 10363 1 14 . 1 1 123 123 GLN C C 123 178.600 178.600 178.065 0.535 18788 10364 1 14 . 1 1 123 123 GLN CA C 123 59.500 59.500 58.007 1.493 18788 10365 1 14 . 1 1 123 123 GLN CB C 123 27.100 27.100 27.347 -0.247 18788 10366 1 14 . 1 1 123 123 GLN H H 123 8.920 8.920 8.682 0.238 18788 10367 1 14 . 1 1 124 124 LEU N N 124 122.000 122.000 121.792 0.208 18788 10368 1 14 . 1 1 124 124 LEU HA H 124 4.090 4.090 4.131 -0.041 18788 10369 1 14 . 1 1 124 124 LEU C C 124 179.100 179.100 178.333 0.767 18788 10370 1 14 . 1 1 124 124 LEU CA C 124 58.600 58.600 57.641 0.959 18788 10371 1 14 . 1 1 124 124 LEU CB C 124 42.000 42.000 41.629 0.371 18788 10372 1 14 . 1 1 124 124 LEU H H 124 7.940 7.940 7.857 0.083 18788 10373 1 14 . 1 1 125 125 LEU N N 125 118.900 118.900 119.493 -0.593 18788 10374 1 14 . 1 1 125 125 LEU HA H 125 4.000 4.000 3.976 0.024 18788 10375 1 14 . 1 1 125 125 LEU C C 125 179.200 179.200 179.065 0.135 18788 10376 1 14 . 1 1 125 125 LEU CA C 125 58.900 58.900 58.121 0.779 18788 10377 1 14 . 1 1 125 125 LEU CB C 125 41.100 41.100 41.251 -0.151 18788 10378 1 14 . 1 1 125 125 LEU H H 125 8.030 8.030 8.285 -0.255 18788 10379 1 14 . 1 1 126 126 ARG N N 126 118.800 118.800 119.551 -0.751 18788 10380 1 14 . 1 1 126 126 ARG HA H 126 4.030 4.030 3.945 0.085 18788 10381 1 14 . 1 1 126 126 ARG C C 126 179.700 179.700 178.661 1.039 18788 10382 1 14 . 1 1 126 126 ARG CA C 126 60.600 60.600 60.279 0.321 18788 10383 1 14 . 1 1 126 126 ARG CB C 126 29.100 29.100 30.072 -0.972 18788 10384 1 14 . 1 1 126 126 ARG H H 126 9.010 9.010 8.454 0.556 18788 10385 1 14 . 1 1 127 127 LYS N N 127 122.700 122.700 119.416 3.284 18788 10386 1 14 . 1 1 127 127 LYS HA H 127 4.150 4.150 4.062 0.088 18788 10387 1 14 . 1 1 127 127 LYS C C 127 179.800 179.800 178.982 0.818 18788 10388 1 14 . 1 1 127 127 LYS CA C 127 60.100 60.100 59.415 0.685 18788 10389 1 14 . 1 1 127 127 LYS CB C 127 31.700 31.700 31.890 -0.190 18788 10390 1 14 . 1 1 127 127 LYS H H 127 8.160 8.160 8.315 -0.155 18788 10391 1 14 . 1 1 128 128 SER N N 128 118.300 118.300 117.250 1.050 18788 10392 1 14 . 1 1 128 128 SER HA H 128 4.320 4.320 4.106 0.214 18788 10393 1 14 . 1 1 128 128 SER C C 128 175.500 175.500 176.210 -0.710 18788 10394 1 14 . 1 1 128 128 SER CA C 128 63.600 63.600 62.973 0.627 18788 10395 1 14 . 1 1 128 128 SER CB C 128 62.600 62.600 62.909 -0.309 18788 10396 1 14 . 1 1 128 128 SER H H 128 7.830 7.830 7.961 -0.131 18788 10397 1 14 . 1 1 129 129 GLU N N 129 125.200 125.200 123.025 2.175 18788 10398 1 14 . 1 1 129 129 GLU HA H 129 3.900 3.900 4.016 -0.116 18788 10399 1 14 . 1 1 129 129 GLU C C 129 177.400 177.400 178.335 -0.935 18788 10400 1 14 . 1 1 129 129 GLU CA C 129 59.200 59.200 59.237 -0.037 18788 10401 1 14 . 1 1 129 129 GLU CB C 129 30.900 30.900 29.809 1.091 18788 10402 1 14 . 1 1 129 129 GLU H H 129 8.580 8.580 8.330 0.250 18788 10403 1 14 . 1 1 130 130 ALA N N 130 119.500 119.500 121.164 -1.664 18788 10404 1 14 . 1 1 130 130 ALA HA H 130 3.850 3.850 3.789 0.061 18788 10405 1 14 . 1 1 130 130 ALA C C 130 181.000 181.000 179.603 1.397 18788 10406 1 14 . 1 1 130 130 ALA CA C 130 55.000 55.000 55.090 -0.090 18788 10407 1 14 . 1 1 130 130 ALA CB C 130 17.600 17.600 17.892 -0.292 18788 10408 1 14 . 1 1 130 130 ALA H H 130 7.950 7.950 8.177 -0.227 18788 10409 1 14 . 1 1 131 131 GLN N N 131 118.600 118.600 119.031 -0.431 18788 10410 1 14 . 1 1 131 131 GLN HA H 131 3.990 3.990 3.978 0.012 18788 10411 1 14 . 1 1 131 131 GLN C C 131 177.200 177.200 178.081 -0.881 18788 10412 1 14 . 1 1 131 131 GLN CA C 131 58.800 58.800 58.611 0.189 18788 10413 1 14 . 1 1 131 131 GLN CB C 131 28.000 28.000 28.674 -0.673 18788 10414 1 14 . 1 1 131 131 GLN H H 131 7.520 7.520 7.807 -0.287 18788 10415 1 14 . 1 1 132 132 ALA N N 132 123.100 123.100 122.210 0.890 18788 10416 1 14 . 1 1 132 132 ALA HA H 132 3.930 3.930 4.028 -0.098 18788 10417 1 14 . 1 1 132 132 ALA C C 132 179.500 179.500 179.544 -0.044 18788 10418 1 14 . 1 1 132 132 ALA CA C 132 55.600 55.600 55.224 0.376 18788 10419 1 14 . 1 1 132 132 ALA CB C 132 18.400 18.400 18.475 -0.075 18788 10420 1 14 . 1 1 132 132 ALA H H 132 8.000 8.000 8.053 -0.053 18788 10421 1 14 . 1 1 133 133 LYS N N 133 117.200 117.200 118.106 -0.906 18788 10422 1 14 . 1 1 133 133 LYS HA H 133 3.450 3.450 3.824 -0.374 18788 10423 1 14 . 1 1 133 133 LYS C C 133 180.800 180.800 179.584 1.216 18788 10424 1 14 . 1 1 133 133 LYS CA C 133 59.500 59.500 59.242 0.258 18788 10425 1 14 . 1 1 133 133 LYS CB C 133 32.200 32.200 32.102 0.098 18788 10426 1 14 . 1 1 133 133 LYS H H 133 8.170 8.170 8.202 -0.032 18788 10427 1 14 . 1 1 134 134 LYS N N 134 122.600 122.600 118.539 4.061 18788 10428 1 14 . 1 1 134 134 LYS HA H 134 3.960 3.960 4.221 -0.261 18788 10429 1 14 . 1 1 134 134 LYS C C 134 178.700 178.700 178.037 0.663 18788 10430 1 14 . 1 1 134 134 LYS CA C 134 59.200 59.200 58.318 0.882 18788 10431 1 14 . 1 1 134 134 LYS CB C 134 32.200 32.200 31.698 0.502 18788 10432 1 14 . 1 1 134 134 LYS H H 134 7.830 7.830 7.713 0.117 18788 10433 1 14 . 1 1 135 135 GLU N N 135 116.500 116.500 117.329 -0.829 18788 10434 1 14 . 1 1 135 135 GLU HA H 135 4.030 4.030 4.403 -0.373 18788 10435 1 14 . 1 1 135 135 GLU C C 135 174.500 174.500 175.110 -0.610 18788 10436 1 14 . 1 1 135 135 GLU CA C 135 56.700 56.700 56.095 0.605 18788 10437 1 14 . 1 1 135 135 GLU CB C 135 29.700 29.700 29.610 0.090 18788 10438 1 14 . 1 1 135 135 GLU H H 135 7.680 7.680 7.653 0.027 18788 10439 1 14 . 1 1 136 136 LYS N N 136 116.800 116.800 116.626 0.174 18788 10440 1 14 . 1 1 136 136 LYS HA H 136 3.540 3.540 4.146 -0.606 18788 10441 1 14 . 1 1 136 136 LYS C C 136 175.000 175.000 176.252 -1.252 18788 10442 1 14 . 1 1 136 136 LYS CA C 136 56.800 56.800 56.806 -0.006 18788 10443 1 14 . 1 1 136 136 LYS CB C 136 28.800 28.800 29.435 -0.635 18788 10444 1 14 . 1 1 136 136 LYS H H 136 7.820 7.820 7.672 0.148 18788 10445 1 14 . 1 1 137 137 LEU N N 137 117.000 117.000 117.012 -0.012 18788 10446 1 14 . 1 1 137 137 LEU HA H 137 4.190 4.190 4.215 -0.025 18788 10447 1 14 . 1 1 137 137 LEU C C 137 178.500 178.500 178.396 0.104 18788 10448 1 14 . 1 1 137 137 LEU CA C 137 55.000 55.000 54.584 0.416 18788 10449 1 14 . 1 1 137 137 LEU CB C 137 44.000 44.000 42.572 1.428 18788 10450 1 14 . 1 1 137 137 LEU H H 137 7.650 7.650 8.083 -0.433 18788 10451 1 14 . 1 1 138 138 ASN N N 138 118.700 118.700 119.075 -0.375 18788 10452 1 14 . 1 1 138 138 ASN HA H 138 3.730 3.730 4.311 -0.581 18788 10453 1 14 . 1 1 138 138 ASN C C 138 176.300 176.300 177.762 -1.462 18788 10454 1 14 . 1 1 138 138 ASN CA C 138 56.600 56.600 56.890 -0.290 18788 10455 1 14 . 1 1 138 138 ASN CB C 138 38.700 38.700 38.378 0.322 18788 10456 1 14 . 1 1 138 138 ASN H H 138 9.050 9.050 8.926 0.124 18788 10457 1 14 . 1 1 139 139 ILE N N 139 123.800 123.800 113.081 10.719 18788 10458 1 14 . 1 1 139 139 ILE HA H 139 3.380 3.380 4.039 -0.659 18788 10459 1 14 . 1 1 139 139 ILE C C 139 176.700 176.700 176.606 0.094 18788 10460 1 14 . 1 1 139 139 ILE CA C 139 65.700 65.700 63.027 2.673 18788 10461 1 14 . 1 1 139 139 ILE CB C 139 37.000 37.000 37.252 -0.251 18788 10462 1 14 . 1 1 139 139 ILE H H 139 8.350 8.350 8.192 0.158 18788 10463 1 14 . 1 1 140 140 TRP N N 140 119.700 119.700 120.993 -1.293 18788 10464 1 14 . 1 1 140 140 TRP HA H 140 4.940 4.940 4.860 0.080 18788 10465 1 14 . 1 1 140 140 TRP C C 140 176.200 176.200 176.410 -0.210 18788 10466 1 14 . 1 1 140 140 TRP CA C 140 54.900 54.900 55.478 -0.578 18788 10467 1 14 . 1 1 140 140 TRP CB C 140 30.000 30.000 30.122 -0.122 18788 10468 1 14 . 1 1 140 140 TRP H H 140 7.850 7.850 7.978 -0.128 18788 10469 1 14 . 1 1 141 141 SER N N 141 116.100 116.100 115.582 0.518 18788 10470 1 14 . 1 1 141 141 SER HA H 141 4.220 4.220 4.529 -0.309 18788 10471 1 14 . 1 1 141 141 SER C C 141 175.200 175.200 174.695 0.505 18788 10472 1 14 . 1 1 141 141 SER CA C 141 59.800 59.800 58.300 1.500 18788 10473 1 14 . 1 1 141 141 SER CB C 141 64.600 64.600 64.103 0.497 18788 10474 1 14 . 1 1 141 141 SER H H 141 8.080 8.080 7.624 0.456 18788 10475 1 14 . 1 1 142 142 GLU N N 142 121.200 121.200 118.291 2.909 18788 10476 1 14 . 1 1 142 142 GLU HA H 142 4.430 4.430 4.217 0.213 18788 10477 1 14 . 1 1 142 142 GLU C C 142 176.200 176.200 175.298 0.902 18788 10478 1 14 . 1 1 142 142 GLU CA C 142 56.100 56.100 58.232 -2.132 18788 10479 1 14 . 1 1 142 142 GLU CB C 142 30.500 30.500 30.042 0.458 18788 10480 1 14 . 1 1 142 142 GLU H H 142 8.020 8.020 8.693 -0.673 18788 10481 1 14 . 1 1 143 143 ASP N N 143 121.400 121.400 116.446 4.954 18788 10482 1 14 . 1 1 143 143 ASP HA H 143 4.620 4.620 5.257 -0.637 18788 10483 1 14 . 1 1 143 143 ASP C C 143 176.100 176.100 175.415 0.685 18788 10484 1 14 . 1 1 143 143 ASP CA C 143 54.800 54.800 53.197 1.603 18788 10485 1 14 . 1 1 143 143 ASP CB C 143 41.200 41.200 41.702 -0.502 18788 10486 1 14 . 1 1 143 143 ASP H H 143 8.370 8.370 7.730 0.640 18788 10487 1 14 . 1 1 144 144 ASN N N 144 119.300 119.300 123.506 -4.206 18788 10488 1 14 . 1 1 144 144 ASN HA H 144 4.760 4.760 4.648 0.112 18788 10489 1 14 . 1 1 144 144 ASN C C 144 175.200 175.200 174.910 0.290 18788 10490 1 14 . 1 1 144 144 ASN CA C 144 53.200 53.200 54.754 -1.554 18788 10491 1 14 . 1 1 144 144 ASN CB C 144 39.000 39.000 39.679 -0.680 18788 10492 1 14 . 1 1 144 144 ASN H H 144 8.400 8.400 7.916 0.484 18788 10493 1 14 . 1 1 145 145 ALA N N 145 124.300 124.300 118.844 5.456 18788 10494 1 14 . 1 1 145 145 ALA HA H 145 4.310 4.310 4.409 -0.099 18788 10495 1 14 . 1 1 145 145 ALA C C 145 177.700 177.700 175.335 2.365 18788 10496 1 14 . 1 1 145 145 ALA CA C 145 53.300 53.300 52.163 1.137 18788 10497 1 14 . 1 1 145 145 ALA CB C 145 19.200 19.200 20.159 -0.959 18788 10498 1 14 . 1 1 145 145 ALA H H 145 8.240 8.240 8.117 0.123 18788 10499 1 14 . 1 1 146 146 ASP N N 146 119.200 119.200 115.006 4.194 18788 10500 1 14 . 1 1 146 146 ASP HA H 146 4.670 4.670 4.765 -0.095 18788 10501 1 14 . 1 1 146 146 ASP C C 146 176.400 176.400 174.976 1.424 18788 10502 1 14 . 1 1 146 146 ASP CA C 146 54.400 54.400 53.478 0.922 18788 10503 1 14 . 1 1 146 146 ASP CB C 146 41.200 41.200 42.686 -1.486 18788 10504 1 14 . 1 1 146 146 ASP H H 146 8.340 8.340 7.624 0.716 18788 10505 1 14 . 1 1 147 147 SER N N 147 116.100 116.100 114.079 2.021 18788 10506 1 14 . 1 1 147 147 SER HA H 147 4.450 4.450 5.117 -0.667 18788 10507 1 14 . 1 1 147 147 SER C C 147 175.200 175.200 175.230 -0.030 18788 10508 1 14 . 1 1 147 147 SER CA C 147 58.900 58.900 57.244 1.656 18788 10509 1 14 . 1 1 147 147 SER CB C 147 64.100 64.100 63.595 0.505 18788 10510 1 14 . 1 1 147 147 SER H H 147 8.220 8.220 8.513 -0.293 18788 10511 1 14 . 1 1 148 148 GLY N N 148 111.200 111.200 109.382 1.818 18788 10512 1 14 . 1 1 148 148 GLY C C 148 173.400 173.400 173.964 -0.564 18788 10513 1 14 . 1 1 148 148 GLY CA C 148 45.500 45.500 45.528 -0.028 18788 10514 1 14 . 1 1 148 148 GLY H H 148 8.470 8.470 8.247 0.223 18788 10515 1 15 . 1 1 2 2 THR N N 2 120.300 120.300 120.768 -0.468 18788 10516 1 15 . 1 1 2 2 THR HA H 2 4.430 4.430 4.235 0.195 18788 10517 1 15 . 1 1 2 2 THR C C 2 174.400 174.400 174.173 0.227 18788 10518 1 15 . 1 1 2 2 THR CA C 2 62.100 62.100 62.723 -0.623 18788 10519 1 15 . 1 1 2 2 THR CB C 2 69.900 69.900 68.444 1.456 18788 10520 1 15 . 1 1 2 2 THR H H 2 8.320 8.320 8.505 -0.185 18788 10521 1 15 . 1 1 3 3 SER N N 3 118.700 118.700 121.727 -3.027 18788 10522 1 15 . 1 1 3 3 SER HA H 3 5.000 5.000 4.650 0.350 18788 10523 1 15 . 1 1 3 3 SER CA C 3 58.400 58.400 57.604 0.796 18788 10524 1 15 . 1 1 3 3 SER CB C 3 68.800 68.800 66.366 2.434 18788 10525 1 15 . 1 1 3 3 SER H H 3 8.520 8.520 8.002 0.518 18788 10526 1 15 . 1 1 4 4 THR HA H 4 4.380 4.380 4.479 -0.099 18788 10527 1 15 . 1 1 4 4 THR C C 4 174.400 174.400 175.014 -0.614 18788 10528 1 15 . 1 1 4 4 THR CA C 4 62.000 62.000 62.718 -0.718 18788 10529 1 15 . 1 1 4 4 THR CB C 4 69.700 69.700 69.128 0.572 18788 10530 1 15 . 1 1 5 5 LYS N N 5 124.000 124.000 117.708 6.292 18788 10531 1 15 . 1 1 5 5 LYS HA H 5 4.370 4.370 3.958 0.412 18788 10532 1 15 . 1 1 5 5 LYS C C 5 176.100 176.100 175.666 0.434 18788 10533 1 15 . 1 1 5 5 LYS CA C 5 56.500 56.500 58.042 -1.542 18788 10534 1 15 . 1 1 5 5 LYS CB C 5 32.900 32.900 30.815 2.085 18788 10535 1 15 . 1 1 5 5 LYS H H 5 8.320 8.320 8.748 -0.428 18788 10536 1 15 . 1 1 6 6 LYS N N 6 122.500 122.500 118.958 3.542 18788 10537 1 15 . 1 1 6 6 LYS HA H 6 4.400 4.400 4.359 0.041 18788 10538 1 15 . 1 1 6 6 LYS C C 6 176.200 176.200 175.960 0.240 18788 10539 1 15 . 1 1 6 6 LYS CA C 6 55.900 55.900 55.418 0.482 18788 10540 1 15 . 1 1 6 6 LYS CB C 6 33.600 33.600 33.938 -0.338 18788 10541 1 15 . 1 1 6 6 LYS H H 6 8.220 8.220 7.462 0.758 18788 10542 1 15 . 1 1 7 7 LEU N N 7 122.200 122.200 119.987 2.213 18788 10543 1 15 . 1 1 7 7 LEU HA H 7 4.550 4.550 4.882 -0.332 18788 10544 1 15 . 1 1 7 7 LEU C C 7 176.600 176.600 176.686 -0.086 18788 10545 1 15 . 1 1 7 7 LEU CA C 7 54.800 54.800 53.660 1.140 18788 10546 1 15 . 1 1 7 7 LEU CB C 7 41.500 41.500 44.354 -2.854 18788 10547 1 15 . 1 1 7 7 LEU H H 7 8.340 8.340 8.292 0.048 18788 10548 1 15 . 1 1 8 8 HIS N N 8 119.200 119.200 116.136 3.064 18788 10549 1 15 . 1 1 8 8 HIS HA H 8 4.990 4.990 4.985 0.005 18788 10550 1 15 . 1 1 8 8 HIS C C 8 173.700 173.700 174.193 -0.493 18788 10551 1 15 . 1 1 8 8 HIS CA C 8 55.300 55.300 54.623 0.677 18788 10552 1 15 . 1 1 8 8 HIS CB C 8 32.200 32.200 32.727 -0.527 18788 10553 1 15 . 1 1 8 8 HIS H H 8 8.860 8.860 8.483 0.377 18788 10554 1 15 . 1 1 9 9 LYS N N 9 124.000 124.000 123.398 0.602 18788 10555 1 15 . 1 1 9 9 LYS HA H 9 4.840 4.840 4.748 0.092 18788 10556 1 15 . 1 1 9 9 LYS C C 9 176.400 176.400 176.692 -0.292 18788 10557 1 15 . 1 1 9 9 LYS CA C 9 55.700 55.700 55.541 0.159 18788 10558 1 15 . 1 1 9 9 LYS CB C 9 34.700 34.700 33.856 0.844 18788 10559 1 15 . 1 1 9 9 LYS H H 9 8.480 8.480 8.604 -0.124 18788 10560 1 15 . 1 1 10 10 GLU N N 10 123.100 123.100 122.308 0.792 18788 10561 1 15 . 1 1 10 10 GLU HA H 10 5.060 5.060 4.893 0.167 18788 10562 1 15 . 1 1 10 10 GLU C C 10 173.200 173.200 174.077 -0.877 18788 10563 1 15 . 1 1 10 10 GLU CA C 10 53.400 53.400 53.172 0.228 18788 10564 1 15 . 1 1 10 10 GLU CB C 10 33.000 33.000 31.927 1.073 18788 10565 1 15 . 1 1 10 10 GLU H H 10 9.390 9.390 8.771 0.619 18788 10566 1 15 . 1 1 11 11 PRO HA H 11 4.900 4.900 4.809 0.091 18788 10567 1 15 . 1 1 11 11 PRO C C 11 175.400 175.400 175.407 -0.007 18788 10568 1 15 . 1 1 11 11 PRO CA C 11 63.100 63.100 62.902 0.198 18788 10569 1 15 . 1 1 11 11 PRO CB C 11 33.000 33.000 32.258 0.742 18788 10570 1 15 . 1 1 12 12 ALA N N 12 119.700 119.700 125.198 -5.498 18788 10571 1 15 . 1 1 12 12 ALA HA H 12 4.990 4.990 5.650 -0.660 18788 10572 1 15 . 1 1 12 12 ALA C C 12 175.400 175.400 175.762 -0.362 18788 10573 1 15 . 1 1 12 12 ALA CA C 12 51.600 51.600 50.368 1.232 18788 10574 1 15 . 1 1 12 12 ALA CB C 12 24.600 24.600 23.535 1.065 18788 10575 1 15 . 1 1 12 12 ALA H H 12 8.070 8.070 8.990 -0.920 18788 10576 1 15 . 1 1 13 13 THR N N 13 109.100 109.100 114.002 -4.902 18788 10577 1 15 . 1 1 13 13 THR HA H 13 4.700 4.700 4.629 0.071 18788 10578 1 15 . 1 1 13 13 THR C C 13 174.000 174.000 172.965 1.035 18788 10579 1 15 . 1 1 13 13 THR CA C 13 60.700 60.700 61.307 -0.607 18788 10580 1 15 . 1 1 13 13 THR CB C 13 71.600 71.600 72.282 -0.682 18788 10581 1 15 . 1 1 13 13 THR H H 13 8.090 8.090 8.097 -0.007 18788 10582 1 15 . 1 1 14 14 LEU N N 14 125.200 125.200 126.458 -1.258 18788 10583 1 15 . 1 1 14 14 LEU HA H 14 4.140 4.140 4.231 -0.091 18788 10584 1 15 . 1 1 14 14 LEU C C 14 176.700 176.700 175.555 1.145 18788 10585 1 15 . 1 1 14 14 LEU CA C 14 56.800 56.800 55.950 0.850 18788 10586 1 15 . 1 1 14 14 LEU CB C 14 42.900 42.900 42.887 0.013 18788 10587 1 15 . 1 1 14 14 LEU H H 14 9.150 9.150 8.798 0.352 18788 10588 1 15 . 1 1 15 15 ILE N N 15 125.200 125.200 124.062 1.138 18788 10589 1 15 . 1 1 15 15 ILE HA H 15 4.220 4.220 4.317 -0.097 18788 10590 1 15 . 1 1 15 15 ILE C C 15 175.900 175.900 176.066 -0.166 18788 10591 1 15 . 1 1 15 15 ILE CA C 15 64.300 64.300 62.524 1.776 18788 10592 1 15 . 1 1 15 15 ILE CB C 15 38.700 38.700 39.630 -0.930 18788 10593 1 15 . 1 1 15 15 ILE H H 15 8.460 8.460 8.486 -0.026 18788 10594 1 15 . 1 1 16 16 LYS N N 16 114.100 114.100 118.992 -4.892 18788 10595 1 15 . 1 1 16 16 LYS HA H 16 4.460 4.460 4.603 -0.143 18788 10596 1 15 . 1 1 16 16 LYS C C 16 174.000 174.000 174.187 -0.187 18788 10597 1 15 . 1 1 16 16 LYS CA C 16 56.600 56.600 54.983 1.617 18788 10598 1 15 . 1 1 16 16 LYS CB C 16 35.300 35.300 36.219 -0.919 18788 10599 1 15 . 1 1 16 16 LYS H H 16 8.050 8.050 8.345 -0.295 18788 10600 1 15 . 1 1 17 17 ALA N N 17 129.100 129.100 126.415 2.685 18788 10601 1 15 . 1 1 17 17 ALA HA H 17 4.480 4.480 4.508 -0.028 18788 10602 1 15 . 1 1 17 17 ALA C C 17 175.700 175.700 176.974 -1.274 18788 10603 1 15 . 1 1 17 17 ALA CA C 17 52.300 52.300 51.343 0.957 18788 10604 1 15 . 1 1 17 17 ALA CB C 17 18.200 18.200 19.215 -1.015 18788 10605 1 15 . 1 1 17 17 ALA H H 17 9.470 9.470 8.638 0.832 18788 10606 1 15 . 1 1 18 18 ILE N N 18 123.500 123.500 123.093 0.407 18788 10607 1 15 . 1 1 18 18 ILE HA H 18 4.110 4.110 3.950 0.160 18788 10608 1 15 . 1 1 18 18 ILE C C 18 175.100 175.100 176.487 -1.387 18788 10609 1 15 . 1 1 18 18 ILE CA C 18 63.200 63.200 62.811 0.389 18788 10610 1 15 . 1 1 18 18 ILE CB C 18 37.800 37.800 38.086 -0.286 18788 10611 1 15 . 1 1 18 18 ILE H H 18 8.070 8.070 8.465 -0.395 18788 10612 1 15 . 1 1 19 19 ASP N N 19 120.500 120.500 115.504 4.996 18788 10613 1 15 . 1 1 19 19 ASP HA H 19 4.730 4.730 4.800 -0.070 18788 10614 1 15 . 1 1 19 19 ASP C C 19 176.800 176.800 177.051 -0.251 18788 10615 1 15 . 1 1 19 19 ASP CA C 19 53.400 53.400 53.681 -0.281 18788 10616 1 15 . 1 1 19 19 ASP CB C 19 40.100 40.100 42.644 -2.544 18788 10617 1 15 . 1 1 19 19 ASP H H 19 8.290 8.290 8.012 0.278 18788 10618 1 15 . 1 1 20 20 GLY N N 20 103.500 103.500 107.040 -3.540 18788 10619 1 15 . 1 1 20 20 GLY C C 20 173.300 173.300 175.215 -1.915 18788 10620 1 15 . 1 1 20 20 GLY CA C 20 47.700 47.700 46.843 0.857 18788 10621 1 15 . 1 1 20 20 GLY H H 20 8.460 8.460 8.689 -0.229 18788 10622 1 15 . 1 1 21 21 ASP N N 21 111.200 111.200 119.632 -8.432 18788 10623 1 15 . 1 1 21 21 ASP HA H 21 4.850 4.850 4.572 0.278 18788 10624 1 15 . 1 1 21 21 ASP C C 21 175.300 175.300 175.122 0.178 18788 10625 1 15 . 1 1 21 21 ASP CA C 21 52.100 52.100 55.660 -3.560 18788 10626 1 15 . 1 1 21 21 ASP CB C 21 40.600 40.600 41.752 -1.152 18788 10627 1 15 . 1 1 21 21 ASP H H 21 7.640 7.640 8.215 -0.575 18788 10628 1 15 . 1 1 22 22 THR N N 22 113.200 113.200 115.182 -1.982 18788 10629 1 15 . 1 1 22 22 THR HA H 22 5.700 5.700 5.175 0.525 18788 10630 1 15 . 1 1 22 22 THR C C 22 174.000 174.000 173.295 0.705 18788 10631 1 15 . 1 1 22 22 THR CA C 22 61.000 61.000 61.548 -0.548 18788 10632 1 15 . 1 1 22 22 THR CB C 22 71.800 71.800 71.286 0.514 18788 10633 1 15 . 1 1 22 22 THR H H 22 7.610 7.610 7.370 0.240 18788 10634 1 15 . 1 1 23 23 VAL N N 23 118.000 118.000 120.227 -2.227 18788 10635 1 15 . 1 1 23 23 VAL HA H 23 4.620 4.620 4.789 -0.169 18788 10636 1 15 . 1 1 23 23 VAL C C 23 172.100 172.100 173.438 -1.338 18788 10637 1 15 . 1 1 23 23 VAL CA C 23 60.100 60.100 59.876 0.224 18788 10638 1 15 . 1 1 23 23 VAL CB C 23 36.200 36.200 35.383 0.817 18788 10639 1 15 . 1 1 23 23 VAL H H 23 8.910 8.910 9.388 -0.478 18788 10640 1 15 . 1 1 24 24 LYS N N 24 127.000 127.000 122.788 4.212 18788 10641 1 15 . 1 1 24 24 LYS HA H 24 5.440 5.440 5.122 0.318 18788 10642 1 15 . 1 1 24 24 LYS C C 24 175.200 175.200 174.828 0.372 18788 10643 1 15 . 1 1 24 24 LYS CA C 24 55.600 55.600 55.146 0.454 18788 10644 1 15 . 1 1 24 24 LYS CB C 24 34.400 34.400 34.603 -0.203 18788 10645 1 15 . 1 1 24 24 LYS H H 24 9.470 9.470 8.997 0.473 18788 10646 1 15 . 1 1 25 25 LEU N N 25 127.000 127.000 122.768 4.232 18788 10647 1 15 . 1 1 25 25 LEU HA H 25 5.210 5.210 4.983 0.227 18788 10648 1 15 . 1 1 25 25 LEU C C 25 174.500 174.500 174.740 -0.240 18788 10649 1 15 . 1 1 25 25 LEU CA C 25 53.100 53.100 52.956 0.144 18788 10650 1 15 . 1 1 25 25 LEU CB C 25 45.500 45.500 45.110 0.390 18788 10651 1 15 . 1 1 25 25 LEU H H 25 9.380 9.380 9.061 0.319 18788 10652 1 15 . 1 1 26 26 MET N N 26 122.000 122.000 120.067 1.933 18788 10653 1 15 . 1 1 26 26 MET HA H 26 4.880 4.880 4.789 0.091 18788 10654 1 15 . 1 1 26 26 MET C C 26 175.100 175.100 174.317 0.783 18788 10655 1 15 . 1 1 26 26 MET CA C 26 54.700 54.700 54.932 -0.232 18788 10656 1 15 . 1 1 26 26 MET CB C 26 31.400 31.400 33.615 -2.215 18788 10657 1 15 . 1 1 26 26 MET H H 26 9.530 9.530 8.905 0.625 18788 10658 1 15 . 1 1 27 27 TYR N N 27 129.600 129.600 129.595 0.005 18788 10659 1 15 . 1 1 27 27 TYR HA H 27 5.050 5.050 4.731 0.319 18788 10660 1 15 . 1 1 27 27 TYR C C 27 173.900 173.900 175.410 -1.510 18788 10661 1 15 . 1 1 27 27 TYR CA C 27 57.000 57.000 56.788 0.212 18788 10662 1 15 . 1 1 27 27 TYR CB C 27 41.700 41.700 38.604 3.096 18788 10663 1 15 . 1 1 27 27 TYR H H 27 9.040 9.040 8.991 0.049 18788 10664 1 15 . 1 1 28 28 LYS N N 28 127.600 127.600 128.328 -0.728 18788 10665 1 15 . 1 1 28 28 LYS HA H 28 3.590 3.590 3.792 -0.202 18788 10666 1 15 . 1 1 28 28 LYS C C 28 176.900 176.900 175.749 1.151 18788 10667 1 15 . 1 1 28 28 LYS CA C 28 57.100 57.100 57.260 -0.160 18788 10668 1 15 . 1 1 28 28 LYS CB C 28 29.700 29.700 30.061 -0.361 18788 10669 1 15 . 1 1 28 28 LYS H H 28 9.310 9.310 8.611 0.699 18788 10670 1 15 . 1 1 29 29 GLY N N 29 102.400 102.400 102.664 -0.264 18788 10671 1 15 . 1 1 29 29 GLY C C 29 173.600 173.600 174.315 -0.715 18788 10672 1 15 . 1 1 29 29 GLY CA C 29 45.600 45.600 44.923 0.677 18788 10673 1 15 . 1 1 29 29 GLY H H 29 8.450 8.450 8.610 -0.160 18788 10674 1 15 . 1 1 30 30 GLN N N 30 119.300 119.300 120.437 -1.137 18788 10675 1 15 . 1 1 30 30 GLN HA H 30 5.030 5.030 4.886 0.144 18788 10676 1 15 . 1 1 30 30 GLN C C 30 173.200 173.200 173.592 -0.392 18788 10677 1 15 . 1 1 30 30 GLN CA C 30 52.200 52.200 51.983 0.217 18788 10678 1 15 . 1 1 30 30 GLN CB C 30 31.200 31.200 29.341 1.859 18788 10679 1 15 . 1 1 30 30 GLN H H 30 7.820 7.820 7.939 -0.119 18788 10680 1 15 . 1 1 31 31 PRO HA H 31 4.880 4.880 4.857 0.023 18788 10681 1 15 . 1 1 31 31 PRO C C 31 177.400 177.400 176.358 1.042 18788 10682 1 15 . 1 1 31 31 PRO CA C 31 62.600 62.600 63.118 -0.519 18788 10683 1 15 . 1 1 31 31 PRO CB C 31 31.900 31.900 32.297 -0.397 18788 10684 1 15 . 1 1 32 32 MET N N 32 125.700 125.700 125.327 0.373 18788 10685 1 15 . 1 1 32 32 MET HA H 32 4.670 4.670 4.931 -0.261 18788 10686 1 15 . 1 1 32 32 MET C C 32 174.600 174.600 174.310 0.290 18788 10687 1 15 . 1 1 32 32 MET CA C 32 55.800 55.800 55.551 0.249 18788 10688 1 15 . 1 1 32 32 MET CB C 32 37.200 37.200 36.939 0.261 18788 10689 1 15 . 1 1 32 32 MET H H 32 9.570 9.570 9.354 0.216 18788 10690 1 15 . 1 1 33 33 THR N N 33 123.600 123.600 123.012 0.588 18788 10691 1 15 . 1 1 33 33 THR HA H 33 4.510 4.510 4.993 -0.483 18788 10692 1 15 . 1 1 33 33 THR C C 33 173.100 173.100 174.428 -1.328 18788 10693 1 15 . 1 1 33 33 THR CA C 33 64.300 64.300 63.380 0.921 18788 10694 1 15 . 1 1 33 33 THR CB C 33 68.800 68.800 68.955 -0.155 18788 10695 1 15 . 1 1 33 33 THR H H 33 8.990 8.990 8.493 0.497 18788 10696 1 15 . 1 1 34 34 PHE N N 34 126.100 126.100 127.490 -1.390 18788 10697 1 15 . 1 1 34 34 PHE HA H 34 4.890 4.890 5.244 -0.354 18788 10698 1 15 . 1 1 34 34 PHE C C 34 173.400 173.400 174.416 -1.016 18788 10699 1 15 . 1 1 34 34 PHE CA C 34 57.300 57.300 57.085 0.215 18788 10700 1 15 . 1 1 34 34 PHE CB C 34 41.900 41.900 42.850 -0.950 18788 10701 1 15 . 1 1 34 34 PHE H H 34 9.610 9.610 9.484 0.126 18788 10702 1 15 . 1 1 35 35 ARG N N 35 124.200 124.200 119.816 4.384 18788 10703 1 15 . 1 1 35 35 ARG HA H 35 5.080 5.080 5.483 -0.403 18788 10704 1 15 . 1 1 35 35 ARG C C 35 174.600 174.600 174.031 0.569 18788 10705 1 15 . 1 1 35 35 ARG CA C 35 52.100 52.100 54.676 -2.576 18788 10706 1 15 . 1 1 35 35 ARG CB C 35 33.600 33.600 35.299 -1.699 18788 10707 1 15 . 1 1 35 35 ARG H H 35 9.640 9.640 9.227 0.413 18788 10708 1 15 . 1 1 38 38 LEU HA H 38 4.330 4.330 4.390 -0.060 18788 10709 1 15 . 1 1 38 38 LEU C C 38 175.200 175.200 176.782 -1.582 18788 10710 1 15 . 1 1 38 38 LEU CA C 38 56.600 56.600 56.007 0.593 18788 10711 1 15 . 1 1 38 38 LEU CB C 38 40.100 40.100 41.680 -1.580 18788 10712 1 15 . 1 1 39 39 VAL N N 39 104.500 104.500 112.005 -7.505 18788 10713 1 15 . 1 1 39 39 VAL HA H 39 5.580 5.580 5.076 0.504 18788 10714 1 15 . 1 1 39 39 VAL C C 39 175.600 175.600 174.637 0.963 18788 10715 1 15 . 1 1 39 39 VAL CA C 39 57.800 57.800 58.650 -0.850 18788 10716 1 15 . 1 1 39 39 VAL CB C 39 36.400 36.400 34.212 2.188 18788 10717 1 15 . 1 1 39 39 VAL H H 39 6.920 6.920 7.268 -0.348 18788 10718 1 15 . 1 1 40 40 ASP N N 40 121.500 121.500 125.663 -4.163 18788 10719 1 15 . 1 1 40 40 ASP HA H 40 5.260 5.260 5.024 0.236 18788 10720 1 15 . 1 1 40 40 ASP C C 40 174.600 174.600 175.480 -0.880 18788 10721 1 15 . 1 1 40 40 ASP CA C 40 54.100 54.100 52.757 1.343 18788 10722 1 15 . 1 1 40 40 ASP CB C 40 44.100 44.100 42.963 1.137 18788 10723 1 15 . 1 1 40 40 ASP H H 40 8.880 8.880 9.078 -0.198 18788 10724 1 15 . 1 1 41 41 THR N N 41 118.700 118.700 116.880 1.820 18788 10725 1 15 . 1 1 41 41 THR HA H 41 5.020 5.020 4.944 0.076 18788 10726 1 15 . 1 1 41 41 THR CA C 41 58.300 58.300 58.391 -0.091 18788 10727 1 15 . 1 1 41 41 THR CB C 41 68.900 68.900 69.070 -0.170 18788 10728 1 15 . 1 1 41 41 THR H H 41 8.520 8.520 8.319 0.201 18788 10729 1 15 . 1 1 42 42 PRO HA H 42 4.440 4.440 4.455 -0.015 18788 10730 1 15 . 1 1 42 42 PRO CA C 42 62.200 62.200 62.983 -0.783 18788 10731 1 15 . 1 1 42 42 PRO CB C 42 32.300 32.300 30.116 2.184 18788 10732 1 15 . 1 1 50 50 GLY C C 50 179.800 179.800 173.713 6.087 18788 10733 1 15 . 1 1 51 51 VAL N N 51 119.200 119.200 119.991 -0.791 18788 10734 1 15 . 1 1 51 51 VAL HA H 51 4.160 4.160 3.970 0.190 18788 10735 1 15 . 1 1 51 51 VAL C C 51 178.600 178.600 175.142 3.458 18788 10736 1 15 . 1 1 51 51 VAL CA C 51 63.500 63.500 64.457 -0.957 18788 10737 1 15 . 1 1 51 51 VAL H H 51 7.820 7.820 8.522 -0.702 18788 10738 1 15 . 1 1 54 54 TYR C C 54 176.300 176.300 175.454 0.846 18788 10739 1 15 . 1 1 55 55 GLY N N 55 108.900 108.900 112.789 -3.889 18788 10740 1 15 . 1 1 55 55 GLY C C 55 174.300 174.300 171.916 2.384 18788 10741 1 15 . 1 1 55 55 GLY CA C 55 48.400 48.400 44.437 3.963 18788 10742 1 15 . 1 1 55 55 GLY H H 55 8.810 8.810 7.964 0.846 18788 10743 1 15 . 1 1 57 57 GLU HA H 57 4.010 4.010 4.133 -0.123 18788 10744 1 15 . 1 1 57 57 GLU C C 57 179.500 179.500 177.044 2.456 18788 10745 1 15 . 1 1 57 57 GLU CA C 57 61.700 61.700 57.209 4.492 18788 10746 1 15 . 1 1 58 58 ALA N N 58 125.000 125.000 123.086 1.914 18788 10747 1 15 . 1 1 58 58 ALA HA H 58 4.170 4.170 4.037 0.133 18788 10748 1 15 . 1 1 58 58 ALA C C 58 178.700 178.700 179.679 -0.979 18788 10749 1 15 . 1 1 58 58 ALA CA C 58 55.800 55.800 55.235 0.565 18788 10750 1 15 . 1 1 58 58 ALA CB C 58 18.200 18.200 18.102 0.098 18788 10751 1 15 . 1 1 58 58 ALA H H 58 8.940 8.940 8.047 0.893 18788 10752 1 15 . 1 1 59 59 SER N N 59 111.900 111.900 114.642 -2.742 18788 10753 1 15 . 1 1 59 59 SER HA H 59 3.740 3.740 4.311 -0.571 18788 10754 1 15 . 1 1 59 59 SER C C 59 177.100 177.100 176.466 0.634 18788 10755 1 15 . 1 1 59 59 SER CA C 59 62.000 62.000 61.050 0.950 18788 10756 1 15 . 1 1 59 59 SER CB C 59 62.900 62.900 62.483 0.417 18788 10757 1 15 . 1 1 59 59 SER H H 59 8.340 8.340 7.924 0.416 18788 10758 1 15 . 1 1 60 60 ALA N N 60 122.900 122.900 123.816 -0.916 18788 10759 1 15 . 1 1 60 60 ALA HA H 60 4.070 4.070 4.176 -0.106 18788 10760 1 15 . 1 1 60 60 ALA C C 60 179.100 179.100 179.597 -0.497 18788 10761 1 15 . 1 1 60 60 ALA CA C 60 55.100 55.100 54.629 0.471 18788 10762 1 15 . 1 1 60 60 ALA CB C 60 18.200 18.200 18.290 -0.090 18788 10763 1 15 . 1 1 60 60 ALA H H 60 8.440 8.440 7.954 0.486 18788 10764 1 15 . 1 1 61 61 PHE N N 61 121.700 121.700 119.648 2.052 18788 10765 1 15 . 1 1 61 61 PHE HA H 61 4.050 4.050 4.136 -0.086 18788 10766 1 15 . 1 1 61 61 PHE C C 61 178.100 178.100 177.229 0.871 18788 10767 1 15 . 1 1 61 61 PHE CA C 61 61.800 61.800 62.209 -0.409 18788 10768 1 15 . 1 1 61 61 PHE CB C 61 39.800 39.800 39.333 0.467 18788 10769 1 15 . 1 1 61 61 PHE H H 61 8.190 8.190 8.711 -0.521 18788 10770 1 15 . 1 1 62 62 THR N N 62 120.200 120.200 116.184 4.016 18788 10771 1 15 . 1 1 62 62 THR HA H 62 3.560 3.560 3.885 -0.325 18788 10772 1 15 . 1 1 62 62 THR C C 62 175.300 175.300 176.206 -0.906 18788 10773 1 15 . 1 1 62 62 THR CA C 62 67.600 67.600 67.569 0.032 18788 10774 1 15 . 1 1 62 62 THR CB C 62 68.400 68.400 68.476 -0.076 18788 10775 1 15 . 1 1 62 62 THR H H 62 8.540 8.540 8.648 -0.108 18788 10776 1 15 . 1 1 63 63 LYS N N 63 120.000 120.000 121.319 -1.319 18788 10777 1 15 . 1 1 63 63 LYS HA H 63 3.560 3.560 3.881 -0.321 18788 10778 1 15 . 1 1 63 63 LYS C C 63 176.800 176.800 178.432 -1.632 18788 10779 1 15 . 1 1 63 63 LYS CA C 63 60.400 60.400 59.593 0.807 18788 10780 1 15 . 1 1 63 63 LYS CB C 63 33.300 33.300 32.570 0.730 18788 10781 1 15 . 1 1 63 63 LYS H H 63 7.910 7.910 7.854 0.056 18788 10782 1 15 . 1 1 64 64 LYS N N 64 117.200 117.200 119.601 -2.401 18788 10783 1 15 . 1 1 64 64 LYS HA H 64 3.940 3.940 3.991 -0.051 18788 10784 1 15 . 1 1 64 64 LYS C C 64 178.700 178.700 179.236 -0.536 18788 10785 1 15 . 1 1 64 64 LYS CA C 64 59.200 59.200 58.936 0.264 18788 10786 1 15 . 1 1 64 64 LYS CB C 64 31.900 31.900 32.093 -0.193 18788 10787 1 15 . 1 1 64 64 LYS H H 64 8.000 8.000 8.138 -0.138 18788 10788 1 15 . 1 1 65 65 MET N N 65 116.200 116.200 115.965 0.235 18788 10789 1 15 . 1 1 65 65 MET HA H 65 3.890 3.890 4.185 -0.295 18788 10790 1 15 . 1 1 65 65 MET C C 65 179.200 179.200 178.358 0.842 18788 10791 1 15 . 1 1 65 65 MET CA C 65 59.800 59.800 58.651 1.149 18788 10792 1 15 . 1 1 65 65 MET CB C 65 32.200 32.200 32.739 -0.539 18788 10793 1 15 . 1 1 65 65 MET H H 65 7.680 7.680 7.653 0.027 18788 10794 1 15 . 1 1 66 66 VAL N N 66 107.700 107.700 114.522 -6.822 18788 10795 1 15 . 1 1 66 66 VAL HA H 66 4.150 4.150 3.786 0.364 18788 10796 1 15 . 1 1 66 66 VAL C C 66 177.500 177.500 177.393 0.107 18788 10797 1 15 . 1 1 66 66 VAL CA C 66 64.300 64.300 64.853 -0.552 18788 10798 1 15 . 1 1 66 66 VAL CB C 66 31.100 31.100 31.711 -0.611 18788 10799 1 15 . 1 1 66 66 VAL H H 66 8.220 8.220 7.749 0.471 18788 10800 1 15 . 1 1 67 67 GLU N N 67 121.000 121.000 118.067 2.933 18788 10801 1 15 . 1 1 67 67 GLU HA H 67 3.960 3.960 4.127 -0.167 18788 10802 1 15 . 1 1 67 67 GLU C C 67 178.000 178.000 177.953 0.047 18788 10803 1 15 . 1 1 67 67 GLU CA C 67 59.200 59.200 58.678 0.521 18788 10804 1 15 . 1 1 67 67 GLU CB C 67 29.100 29.100 29.729 -0.629 18788 10805 1 15 . 1 1 67 67 GLU H H 67 8.750 8.750 8.161 0.589 18788 10806 1 15 . 1 1 68 68 ASN N N 68 113.400 113.400 116.159 -2.759 18788 10807 1 15 . 1 1 68 68 ASN HA H 68 4.660 4.660 4.637 0.023 18788 10808 1 15 . 1 1 68 68 ASN C C 68 174.600 174.600 174.494 0.106 18788 10809 1 15 . 1 1 68 68 ASN CA C 68 53.400 53.400 54.383 -0.983 18788 10810 1 15 . 1 1 68 68 ASN CB C 68 38.900 38.900 39.453 -0.553 18788 10811 1 15 . 1 1 68 68 ASN H H 68 7.400 7.400 7.529 -0.129 18788 10812 1 15 . 1 1 69 69 ALA N N 69 121.100 121.100 121.185 -0.085 18788 10813 1 15 . 1 1 69 69 ALA HA H 69 4.490 4.490 4.138 0.352 18788 10814 1 15 . 1 1 69 69 ALA C C 69 177.800 177.800 176.569 1.231 18788 10815 1 15 . 1 1 69 69 ALA CA C 69 51.400 51.400 52.396 -0.996 18788 10816 1 15 . 1 1 69 69 ALA CB C 69 19.200 19.200 19.242 -0.042 18788 10817 1 15 . 1 1 69 69 ALA H H 69 6.680 6.680 7.247 -0.567 18788 10818 1 15 . 1 1 70 70 LYS N N 70 125.700 125.700 121.963 3.737 18788 10819 1 15 . 1 1 70 70 LYS HA H 70 4.370 4.370 4.352 0.018 18788 10820 1 15 . 1 1 70 70 LYS C C 70 177.800 177.800 177.425 0.375 18788 10821 1 15 . 1 1 70 70 LYS CA C 70 57.800 57.800 56.801 0.999 18788 10822 1 15 . 1 1 70 70 LYS CB C 70 32.000 32.000 33.472 -1.472 18788 10823 1 15 . 1 1 70 70 LYS H H 70 10.130 10.130 8.740 1.390 18788 10824 1 15 . 1 1 71 71 LYS N N 71 121.300 121.300 119.873 1.427 18788 10825 1 15 . 1 1 71 71 LYS HA H 71 4.660 4.660 4.587 0.073 18788 10826 1 15 . 1 1 71 71 LYS C C 71 174.600 174.600 175.053 -0.453 18788 10827 1 15 . 1 1 71 71 LYS CA C 71 55.500 55.500 55.666 -0.166 18788 10828 1 15 . 1 1 71 71 LYS CB C 71 35.400 35.400 32.995 2.405 18788 10829 1 15 . 1 1 71 71 LYS H H 71 8.920 8.920 7.917 1.003 18788 10830 1 15 . 1 1 72 72 ILE N N 72 128.900 128.900 127.578 1.322 18788 10831 1 15 . 1 1 72 72 ILE HA H 72 5.240 5.240 5.020 0.220 18788 10832 1 15 . 1 1 72 72 ILE C C 72 175.300 175.300 175.149 0.151 18788 10833 1 15 . 1 1 72 72 ILE CA C 72 58.700 58.700 60.545 -1.845 18788 10834 1 15 . 1 1 72 72 ILE CB C 72 38.100 38.100 39.203 -1.103 18788 10835 1 15 . 1 1 72 72 ILE H H 72 8.960 8.960 8.218 0.742 18788 10836 1 15 . 1 1 73 73 GLU N N 73 123.100 123.100 127.508 -4.408 18788 10837 1 15 . 1 1 73 73 GLU HA H 73 5.240 5.240 5.288 -0.048 18788 10838 1 15 . 1 1 73 73 GLU C C 73 174.900 174.900 175.544 -0.644 18788 10839 1 15 . 1 1 73 73 GLU CA C 73 53.600 53.600 54.385 -0.785 18788 10840 1 15 . 1 1 73 73 GLU CB C 73 36.200 36.200 33.310 2.890 18788 10841 1 15 . 1 1 73 73 GLU H H 73 8.810 8.810 9.094 -0.284 18788 10842 1 15 . 1 1 74 74 VAL N N 74 117.300 117.300 119.315 -2.015 18788 10843 1 15 . 1 1 74 74 VAL HA H 74 4.550 4.550 4.748 -0.198 18788 10844 1 15 . 1 1 74 74 VAL C C 74 174.000 174.000 174.355 -0.355 18788 10845 1 15 . 1 1 74 74 VAL CA C 74 59.500 59.500 59.563 -0.063 18788 10846 1 15 . 1 1 74 74 VAL CB C 74 34.200 34.200 32.184 2.016 18788 10847 1 15 . 1 1 74 74 VAL H H 74 9.510 9.510 9.035 0.475 18788 10848 1 15 . 1 1 75 75 GLU N N 75 126.900 126.900 128.735 -1.835 18788 10849 1 15 . 1 1 75 75 GLU HA H 75 5.160 5.160 5.066 0.094 18788 10850 1 15 . 1 1 75 75 GLU C C 75 175.600 175.600 175.671 -0.071 18788 10851 1 15 . 1 1 75 75 GLU CA C 75 54.500 54.500 53.991 0.509 18788 10852 1 15 . 1 1 75 75 GLU CB C 75 35.900 35.900 32.044 3.856 18788 10853 1 15 . 1 1 75 75 GLU H H 75 8.860 8.860 9.119 -0.259 18788 10854 1 15 . 1 1 76 76 PHE N N 76 126.400 126.400 127.535 -1.135 18788 10855 1 15 . 1 1 76 76 PHE HA H 76 4.740 4.740 5.014 -0.274 18788 10856 1 15 . 1 1 76 76 PHE C C 76 175.600 175.600 176.214 -0.614 18788 10857 1 15 . 1 1 76 76 PHE CA C 76 59.500 59.500 59.078 0.422 18788 10858 1 15 . 1 1 76 76 PHE CB C 76 39.700 39.700 39.799 -0.099 18788 10859 1 15 . 1 1 76 76 PHE H H 76 8.770 8.770 8.417 0.353 18788 10860 1 15 . 1 1 77 77 ASP N N 77 123.000 123.000 123.550 -0.550 18788 10861 1 15 . 1 1 77 77 ASP HA H 77 5.310 5.310 4.918 0.392 18788 10862 1 15 . 1 1 77 77 ASP C C 77 177.600 177.600 176.999 0.601 18788 10863 1 15 . 1 1 77 77 ASP CA C 77 51.800 51.800 54.358 -2.558 18788 10864 1 15 . 1 1 77 77 ASP CB C 77 42.900 42.900 43.289 -0.389 18788 10865 1 15 . 1 1 77 77 ASP H H 77 9.310 9.310 8.840 0.470 18788 10866 1 15 . 1 1 78 78 LYS N N 78 119.100 119.100 119.155 -0.055 18788 10867 1 15 . 1 1 78 78 LYS HA H 78 4.240 4.240 4.463 -0.223 18788 10868 1 15 . 1 1 78 78 LYS C C 78 177.100 177.100 176.867 0.233 18788 10869 1 15 . 1 1 78 78 LYS CA C 78 57.700 57.700 57.404 0.296 18788 10870 1 15 . 1 1 78 78 LYS CB C 78 33.400 33.400 32.637 0.763 18788 10871 1 15 . 1 1 78 78 LYS H H 78 10.360 10.360 8.639 1.721 18788 10872 1 15 . 1 1 79 79 GLY N N 79 111.100 111.100 109.247 1.853 18788 10873 1 15 . 1 1 79 79 GLY C C 79 173.600 173.600 173.627 -0.027 18788 10874 1 15 . 1 1 79 79 GLY CA C 79 44.500 44.500 44.192 0.308 18788 10875 1 15 . 1 1 79 79 GLY H H 79 8.680 8.680 7.689 0.991 18788 10876 1 15 . 1 1 80 80 GLN N N 80 124.800 124.800 120.640 4.160 18788 10877 1 15 . 1 1 80 80 GLN HA H 80 4.140 4.140 4.336 -0.196 18788 10878 1 15 . 1 1 80 80 GLN C C 80 176.900 176.900 176.035 0.865 18788 10879 1 15 . 1 1 80 80 GLN CA C 80 57.200 57.200 56.213 0.987 18788 10880 1 15 . 1 1 80 80 GLN CB C 80 29.200 29.200 29.529 -0.329 18788 10881 1 15 . 1 1 80 80 GLN H H 80 8.800 8.800 8.271 0.529 18788 10882 1 15 . 1 1 81 81 ARG N N 81 120.700 120.700 121.964 -1.264 18788 10883 1 15 . 1 1 81 81 ARG HA H 81 4.620 4.620 4.309 0.311 18788 10884 1 15 . 1 1 81 81 ARG C C 81 176.200 176.200 175.507 0.693 18788 10885 1 15 . 1 1 81 81 ARG CA C 81 57.500 57.500 58.050 -0.550 18788 10886 1 15 . 1 1 81 81 ARG CB C 81 32.000 32.000 30.758 1.242 18788 10887 1 15 . 1 1 81 81 ARG H H 81 8.640 8.640 8.723 -0.083 18788 10888 1 15 . 1 1 82 82 THR N N 82 107.900 107.900 107.685 0.215 18788 10889 1 15 . 1 1 82 82 THR HA H 82 5.540 5.540 4.739 0.801 18788 10890 1 15 . 1 1 82 82 THR C C 82 174.600 174.600 173.869 0.731 18788 10891 1 15 . 1 1 82 82 THR CA C 82 58.400 58.400 59.571 -1.171 18788 10892 1 15 . 1 1 82 82 THR CB C 82 72.500 72.500 71.178 1.322 18788 10893 1 15 . 1 1 82 82 THR H H 82 7.300 7.300 7.393 -0.093 18788 10894 1 15 . 1 1 83 83 ASP N N 83 121.300 121.300 121.917 -0.617 18788 10895 1 15 . 1 1 83 83 ASP HA H 83 4.660 4.660 4.480 0.180 18788 10896 1 15 . 1 1 83 83 ASP C C 83 179.000 179.000 177.823 1.177 18788 10897 1 15 . 1 1 83 83 ASP CA C 83 51.700 51.700 53.538 -1.837 18788 10898 1 15 . 1 1 83 83 ASP CB C 83 42.100 42.100 42.388 -0.288 18788 10899 1 15 . 1 1 83 83 ASP H H 83 8.590 8.590 8.791 -0.201 18788 10900 1 15 . 1 1 85 85 TYR N N 85 119.300 119.300 115.491 3.809 18788 10901 1 15 . 1 1 85 85 TYR HA H 85 4.600 4.600 4.593 0.007 18788 10902 1 15 . 1 1 85 85 TYR C C 85 176.100 176.100 175.171 0.929 18788 10903 1 15 . 1 1 85 85 TYR CA C 85 57.100 57.100 57.318 -0.218 18788 10904 1 15 . 1 1 85 85 TYR CB C 85 37.900 37.900 38.516 -0.616 18788 10905 1 15 . 1 1 85 85 TYR H H 85 7.650 7.650 7.720 -0.070 18788 10906 1 15 . 1 1 86 86 GLY N N 86 108.500 108.500 107.142 1.358 18788 10907 1 15 . 1 1 86 86 GLY C C 86 174.400 174.400 174.736 -0.336 18788 10908 1 15 . 1 1 86 86 GLY CA C 86 45.400 45.400 44.758 0.642 18788 10909 1 15 . 1 1 86 86 GLY H H 86 8.120 8.120 8.147 -0.027 18788 10910 1 15 . 1 1 87 87 ARG N N 87 121.600 121.600 121.058 0.542 18788 10911 1 15 . 1 1 87 87 ARG HA H 87 4.430 4.430 4.439 -0.009 18788 10912 1 15 . 1 1 87 87 ARG C C 87 177.000 177.000 176.677 0.323 18788 10913 1 15 . 1 1 87 87 ARG CA C 87 55.300 55.300 55.791 -0.491 18788 10914 1 15 . 1 1 87 87 ARG CB C 87 30.000 30.000 30.727 -0.727 18788 10915 1 15 . 1 1 87 87 ARG H H 87 8.600 8.600 7.447 1.153 18788 10916 1 15 . 1 1 88 88 GLY N N 88 108.000 108.000 105.783 2.217 18788 10917 1 15 . 1 1 88 88 GLY C C 88 171.800 171.800 172.311 -0.511 18788 10918 1 15 . 1 1 88 88 GLY CA C 88 44.800 44.800 43.568 1.232 18788 10919 1 15 . 1 1 88 88 GLY H H 88 8.780 8.780 8.134 0.646 18788 10920 1 15 . 1 1 89 89 LEU N N 89 125.100 125.100 124.447 0.653 18788 10921 1 15 . 1 1 89 89 LEU HA H 89 5.190 5.190 5.205 -0.015 18788 10922 1 15 . 1 1 89 89 LEU C C 89 174.800 174.800 175.653 -0.853 18788 10923 1 15 . 1 1 89 89 LEU CA C 89 52.800 52.800 53.774 -0.974 18788 10924 1 15 . 1 1 89 89 LEU CB C 89 42.900 42.900 42.780 0.120 18788 10925 1 15 . 1 1 89 89 LEU H H 89 8.220 8.220 8.547 -0.327 18788 10926 1 15 . 1 1 90 90 ALA N N 90 119.900 119.900 125.115 -5.215 18788 10927 1 15 . 1 1 90 90 ALA HA H 90 4.790 4.790 4.643 0.147 18788 10928 1 15 . 1 1 90 90 ALA C C 90 177.000 177.000 175.692 1.308 18788 10929 1 15 . 1 1 90 90 ALA CA C 90 50.800 50.800 50.556 0.244 18788 10930 1 15 . 1 1 90 90 ALA CB C 90 23.700 23.700 22.140 1.560 18788 10931 1 15 . 1 1 90 90 ALA H H 90 7.400 7.400 8.104 -0.704 18788 10932 1 15 . 1 1 91 91 TYR N N 91 122.400 122.400 119.842 2.558 18788 10933 1 15 . 1 1 91 91 TYR HA H 91 4.650 4.650 4.473 0.177 18788 10934 1 15 . 1 1 91 91 TYR C C 91 174.600 174.600 175.304 -0.704 18788 10935 1 15 . 1 1 91 91 TYR CA C 91 57.200 57.200 58.114 -0.914 18788 10936 1 15 . 1 1 91 91 TYR CB C 91 37.600 37.600 39.318 -1.718 18788 10937 1 15 . 1 1 91 91 TYR H H 91 9.000 9.000 9.009 -0.009 18788 10938 1 15 . 1 1 92 92 ILE N N 92 122.200 122.200 124.706 -2.506 18788 10939 1 15 . 1 1 92 92 ILE HA H 92 4.950 4.950 4.653 0.297 18788 10940 1 15 . 1 1 92 92 ILE C C 92 173.700 173.700 175.205 -1.505 18788 10941 1 15 . 1 1 92 92 ILE CA C 92 58.700 58.700 60.611 -1.911 18788 10942 1 15 . 1 1 92 92 ILE CB C 92 38.900 38.900 39.165 -0.265 18788 10943 1 15 . 1 1 92 92 ILE H H 92 7.830 7.830 8.420 -0.590 18788 10944 1 15 . 1 1 93 93 TYR N N 93 126.200 126.200 127.462 -1.262 18788 10945 1 15 . 1 1 93 93 TYR HA H 93 5.080 5.080 5.088 -0.008 18788 10946 1 15 . 1 1 93 93 TYR C C 93 173.900 173.900 174.584 -0.684 18788 10947 1 15 . 1 1 93 93 TYR CA C 93 56.500 56.500 56.046 0.454 18788 10948 1 15 . 1 1 93 93 TYR CB C 93 41.500 41.500 40.056 1.444 18788 10949 1 15 . 1 1 93 93 TYR H H 93 9.540 9.540 9.363 0.177 18788 10950 1 15 . 1 1 94 94 ALA N N 94 125.700 125.700 126.779 -1.079 18788 10951 1 15 . 1 1 94 94 ALA HA H 94 4.960 4.960 4.538 0.422 18788 10952 1 15 . 1 1 94 94 ALA C C 94 175.700 175.700 176.983 -1.283 18788 10953 1 15 . 1 1 94 94 ALA CA C 94 49.700 49.700 50.567 -0.867 18788 10954 1 15 . 1 1 94 94 ALA CB C 94 20.900 20.900 19.172 1.728 18788 10955 1 15 . 1 1 94 94 ALA H H 94 9.230 9.230 9.228 0.002 18788 10956 1 15 . 1 1 95 95 ASP N N 95 127.600 127.600 124.886 2.714 18788 10957 1 15 . 1 1 95 95 ASP HA H 95 4.430 4.430 4.260 0.170 18788 10958 1 15 . 1 1 95 95 ASP C C 95 176.100 176.100 176.442 -0.342 18788 10959 1 15 . 1 1 95 95 ASP CA C 95 56.500 56.500 55.358 1.142 18788 10960 1 15 . 1 1 95 95 ASP CB C 95 39.500 39.500 40.021 -0.521 18788 10961 1 15 . 1 1 95 95 ASP H H 95 9.720 9.720 9.091 0.629 18788 10962 1 15 . 1 1 96 96 GLY N N 96 103.000 103.000 102.468 0.532 18788 10963 1 15 . 1 1 96 96 GLY C C 96 173.800 173.800 174.266 -0.466 18788 10964 1 15 . 1 1 96 96 GLY CA C 96 45.400 45.400 45.147 0.253 18788 10965 1 15 . 1 1 96 96 GLY H H 96 9.420 9.420 8.385 1.035 18788 10966 1 15 . 1 1 97 97 LYS N N 97 121.400 121.400 123.370 -1.970 18788 10967 1 15 . 1 1 97 97 LYS HA H 97 4.670 4.670 4.622 0.048 18788 10968 1 15 . 1 1 97 97 LYS C C 97 176.000 176.000 176.018 -0.018 18788 10969 1 15 . 1 1 97 97 LYS CA C 97 54.200 54.200 54.561 -0.361 18788 10970 1 15 . 1 1 97 97 LYS CB C 97 33.100 33.100 32.939 0.161 18788 10971 1 15 . 1 1 97 97 LYS H H 97 7.870 7.870 8.044 -0.174 18788 10972 1 15 . 1 1 98 98 MET N N 98 127.000 127.000 124.567 2.433 18788 10973 1 15 . 1 1 98 98 MET HA H 98 3.780 3.780 4.281 -0.501 18788 10974 1 15 . 1 1 98 98 MET C C 98 177.700 177.700 176.741 0.959 18788 10975 1 15 . 1 1 98 98 MET CA C 98 56.100 56.100 56.093 0.007 18788 10976 1 15 . 1 1 98 98 MET CB C 98 34.700 34.700 31.167 3.533 18788 10977 1 15 . 1 1 98 98 MET H H 98 9.280 9.280 8.930 0.350 18788 10978 1 15 . 1 1 99 99 VAL N N 99 103.700 103.700 125.657 -21.957 18788 10979 1 15 . 1 1 99 99 VAL HA H 99 3.730 3.730 3.627 0.103 18788 10980 1 15 . 1 1 99 99 VAL C C 99 177.200 177.200 177.796 -0.596 18788 10981 1 15 . 1 1 99 99 VAL CA C 99 66.100 66.100 66.742 -0.642 18788 10982 1 15 . 1 1 99 99 VAL CB C 99 32.400 32.400 31.378 1.022 18788 10983 1 15 . 1 1 99 99 VAL H H 99 10.190 10.190 8.928 1.262 18788 10984 1 15 . 1 1 100 100 ASN N N 100 108.600 108.600 116.870 -8.270 18788 10985 1 15 . 1 1 100 100 ASN HA H 100 4.080 4.080 4.306 -0.226 18788 10986 1 15 . 1 1 100 100 ASN C C 100 174.200 174.200 177.239 -3.039 18788 10987 1 15 . 1 1 100 100 ASN CA C 100 57.200 57.200 56.521 0.679 18788 10988 1 15 . 1 1 100 100 ASN CB C 100 34.700 34.700 37.782 -3.082 18788 10989 1 15 . 1 1 100 100 ASN H H 100 9.670 9.670 8.121 1.549 18788 10990 1 15 . 1 1 101 101 GLU N N 101 112.800 112.800 120.886 -8.086 18788 10991 1 15 . 1 1 101 101 GLU HA H 101 3.660 3.660 4.016 -0.356 18788 10992 1 15 . 1 1 101 101 GLU C C 101 176.100 176.100 178.203 -2.103 18788 10993 1 15 . 1 1 101 101 GLU CA C 101 59.800 59.800 59.294 0.506 18788 10994 1 15 . 1 1 101 101 GLU CB C 101 30.200 30.200 29.429 0.771 18788 10995 1 15 . 1 1 101 101 GLU H H 101 6.150 6.150 7.592 -1.442 18788 10996 1 15 . 1 1 102 102 ALA N N 102 122.600 122.600 123.003 -0.403 18788 10997 1 15 . 1 1 102 102 ALA HA H 102 4.070 4.070 4.142 -0.072 18788 10998 1 15 . 1 1 102 102 ALA C C 102 179.800 179.800 180.116 -0.316 18788 10999 1 15 . 1 1 102 102 ALA CA C 102 55.300 55.300 55.298 0.002 18788 11000 1 15 . 1 1 102 102 ALA CB C 102 17.900 17.900 18.324 -0.424 18788 11001 1 15 . 1 1 102 102 ALA H H 102 7.810 7.810 7.618 0.192 18788 11002 1 15 . 1 1 103 103 LEU N N 103 116.100 116.100 118.716 -2.616 18788 11003 1 15 . 1 1 103 103 LEU HA H 103 3.280 3.280 3.536 -0.256 18788 11004 1 15 . 1 1 103 103 LEU C C 103 178.900 178.900 178.929 -0.029 18788 11005 1 15 . 1 1 103 103 LEU CA C 103 57.800 57.800 57.873 -0.073 18788 11006 1 15 . 1 1 103 103 LEU CB C 103 45.500 45.500 41.530 3.970 18788 11007 1 15 . 1 1 103 103 LEU H H 103 8.070 8.070 8.463 -0.393 18788 11008 1 15 . 1 1 104 104 VAL N N 104 116.600 116.600 118.834 -2.234 18788 11009 1 15 . 1 1 104 104 VAL HA H 104 3.870 3.870 4.130 -0.260 18788 11010 1 15 . 1 1 104 104 VAL C C 104 180.300 180.300 179.394 0.906 18788 11011 1 15 . 1 1 104 104 VAL CA C 104 65.000 65.000 66.007 -1.007 18788 11012 1 15 . 1 1 104 104 VAL CB C 104 32.000 32.000 31.558 0.442 18788 11013 1 15 . 1 1 104 104 VAL H H 104 6.890 6.890 7.627 -0.737 18788 11014 1 15 . 1 1 105 105 ARG N N 105 122.400 122.400 120.557 1.843 18788 11015 1 15 . 1 1 105 105 ARG HA H 105 4.130 4.130 4.278 -0.148 18788 11016 1 15 . 1 1 105 105 ARG C C 105 176.000 176.000 177.808 -1.808 18788 11017 1 15 . 1 1 105 105 ARG CA C 105 57.000 57.000 58.720 -1.720 18788 11018 1 15 . 1 1 105 105 ARG CB C 105 28.300 28.300 30.068 -1.768 18788 11019 1 15 . 1 1 105 105 ARG H H 105 9.140 9.140 8.512 0.628 18788 11020 1 15 . 1 1 106 106 GLN N N 106 112.000 112.000 115.733 -3.733 18788 11021 1 15 . 1 1 106 106 GLN HA H 106 4.320 4.320 4.231 0.089 18788 11022 1 15 . 1 1 106 106 GLN C C 106 175.600 175.600 175.779 -0.179 18788 11023 1 15 . 1 1 106 106 GLN CA C 106 53.800 53.800 54.992 -1.192 18788 11024 1 15 . 1 1 106 106 GLN CB C 106 28.300 28.300 28.854 -0.554 18788 11025 1 15 . 1 1 106 106 GLN H H 106 7.120 7.120 7.889 -0.769 18788 11026 1 15 . 1 1 107 107 GLY N N 107 107.100 107.100 106.203 0.897 18788 11027 1 15 . 1 1 107 107 GLY C C 107 172.400 172.400 174.466 -2.066 18788 11028 1 15 . 1 1 107 107 GLY CA C 107 46.300 46.300 46.037 0.263 18788 11029 1 15 . 1 1 107 107 GLY H H 107 8.080 8.080 7.726 0.354 18788 11030 1 15 . 1 1 108 108 LEU N N 108 115.100 115.100 118.179 -3.079 18788 11031 1 15 . 1 1 108 108 LEU HA H 108 4.300 4.300 4.644 -0.344 18788 11032 1 15 . 1 1 108 108 LEU C C 108 172.500 172.500 175.529 -3.029 18788 11033 1 15 . 1 1 108 108 LEU CA C 108 53.300 53.300 54.432 -1.132 18788 11034 1 15 . 1 1 108 108 LEU CB C 108 43.500 43.500 42.633 0.867 18788 11035 1 15 . 1 1 108 108 LEU H H 108 7.810 7.810 8.369 -0.559 18788 11036 1 15 . 1 1 109 109 ALA N N 109 112.900 112.900 118.479 -5.579 18788 11037 1 15 . 1 1 109 109 ALA HA H 109 4.500 4.500 4.775 -0.275 18788 11038 1 15 . 1 1 109 109 ALA C C 109 174.800 174.800 175.744 -0.944 18788 11039 1 15 . 1 1 109 109 ALA CA C 109 49.900 49.900 50.491 -0.591 18788 11040 1 15 . 1 1 109 109 ALA CB C 109 24.900 24.900 21.770 3.130 18788 11041 1 15 . 1 1 109 109 ALA H H 109 6.950 6.950 7.393 -0.443 18788 11042 1 15 . 1 1 110 110 LYS N N 110 117.700 117.700 121.106 -3.406 18788 11043 1 15 . 1 1 110 110 LYS HA H 110 5.120 5.120 4.944 0.176 18788 11044 1 15 . 1 1 110 110 LYS C C 110 175.800 175.800 175.723 0.077 18788 11045 1 15 . 1 1 110 110 LYS CA C 110 53.800 53.800 54.492 -0.692 18788 11046 1 15 . 1 1 110 110 LYS CB C 110 35.300 35.300 35.664 -0.364 18788 11047 1 15 . 1 1 110 110 LYS H H 110 7.890 7.890 8.869 -0.979 18788 11048 1 15 . 1 1 111 111 VAL N N 111 123.100 123.100 121.313 1.787 18788 11049 1 15 . 1 1 111 111 VAL HA H 111 4.630 4.630 4.316 0.314 18788 11050 1 15 . 1 1 111 111 VAL C C 111 176.500 176.500 174.789 1.711 18788 11051 1 15 . 1 1 111 111 VAL CA C 111 63.100 63.100 62.165 0.935 18788 11052 1 15 . 1 1 111 111 VAL CB C 111 30.600 30.600 32.794 -2.194 18788 11053 1 15 . 1 1 111 111 VAL H H 111 9.180 9.180 9.236 -0.056 18788 11054 1 15 . 1 1 112 112 ALA N N 112 131.500 131.500 129.415 2.085 18788 11055 1 15 . 1 1 112 112 ALA HA H 112 4.150 4.150 4.650 -0.500 18788 11056 1 15 . 1 1 112 112 ALA C C 112 173.300 173.300 176.325 -3.025 18788 11057 1 15 . 1 1 112 112 ALA CA C 112 51.300 51.300 50.066 1.234 18788 11058 1 15 . 1 1 112 112 ALA CB C 112 23.900 23.900 21.418 2.482 18788 11059 1 15 . 1 1 112 112 ALA H H 112 8.000 8.000 8.466 -0.466 18788 11060 1 15 . 1 1 114 114 VAL N N 114 123.100 123.100 124.703 -1.603 18788 11061 1 15 . 1 1 114 114 VAL HA H 114 3.550 3.550 4.047 -0.497 18788 11062 1 15 . 1 1 114 114 VAL C C 114 174.600 174.600 175.567 -0.967 18788 11063 1 15 . 1 1 114 114 VAL CA C 114 62.000 62.000 62.684 -0.684 18788 11064 1 15 . 1 1 114 114 VAL CB C 114 30.300 30.300 32.062 -1.762 18788 11065 1 15 . 1 1 114 114 VAL H H 114 7.480 7.480 8.588 -1.108 18788 11066 1 15 . 1 1 115 115 TYR N N 115 130.100 130.100 130.211 -0.111 18788 11067 1 15 . 1 1 115 115 TYR HA H 115 4.940 4.940 4.668 0.272 18788 11068 1 15 . 1 1 115 115 TYR C C 115 175.700 175.700 174.279 1.421 18788 11069 1 15 . 1 1 115 115 TYR CA C 115 54.900 54.900 56.378 -1.478 18788 11070 1 15 . 1 1 115 115 TYR CB C 115 38.200 38.200 39.059 -0.859 18788 11071 1 15 . 1 1 115 115 TYR H H 115 8.970 8.970 8.913 0.057 18788 11072 1 15 . 1 1 116 116 LYS N N 116 125.400 125.400 128.146 -2.746 18788 11073 1 15 . 1 1 116 116 LYS HA H 116 3.940 3.940 4.388 -0.448 18788 11074 1 15 . 1 1 116 116 LYS C C 116 175.100 175.100 175.692 -0.592 18788 11075 1 15 . 1 1 116 116 LYS CA C 116 56.400 56.400 55.355 1.045 18788 11076 1 15 . 1 1 116 116 LYS CB C 116 31.600 31.600 31.960 -0.360 18788 11077 1 15 . 1 1 116 116 LYS H H 116 8.770 8.770 8.410 0.360 18788 11078 1 15 . 1 1 117 117 PRO HA H 117 4.620 4.620 4.528 0.092 18788 11079 1 15 . 1 1 117 117 PRO C C 117 175.600 175.600 175.907 -0.307 18788 11080 1 15 . 1 1 117 117 PRO CA C 117 64.100 64.100 63.008 1.092 18788 11081 1 15 . 1 1 117 117 PRO CB C 117 32.600 32.600 31.886 0.714 18788 11082 1 15 . 1 1 118 118 ASN N N 118 128.800 128.800 120.376 8.424 18788 11083 1 15 . 1 1 118 118 ASN HA H 118 5.310 5.310 5.084 0.226 18788 11084 1 15 . 1 1 118 118 ASN C C 118 174.500 174.500 173.978 0.522 18788 11085 1 15 . 1 1 118 118 ASN CA C 118 51.600 51.600 53.465 -1.865 18788 11086 1 15 . 1 1 118 118 ASN CB C 118 36.200 36.200 37.692 -1.492 18788 11087 1 15 . 1 1 118 118 ASN H H 118 8.710 8.710 7.790 0.920 18788 11088 1 15 . 1 1 119 119 ASN N N 119 117.600 117.600 118.381 -0.781 18788 11089 1 15 . 1 1 119 119 ASN HA H 119 5.020 5.020 4.998 0.022 18788 11090 1 15 . 1 1 119 119 ASN C C 119 177.500 177.500 176.593 0.907 18788 11091 1 15 . 1 1 119 119 ASN CA C 119 51.900 51.900 53.415 -1.515 18788 11092 1 15 . 1 1 119 119 ASN CB C 119 39.100 39.100 39.996 -0.896 18788 11093 1 15 . 1 1 119 119 ASN H H 119 8.120 8.120 8.388 -0.268 18788 11094 1 15 . 1 1 120 120 THR N N 120 124.400 124.400 118.577 5.823 18788 11095 1 15 . 1 1 120 120 THR HA H 120 3.850 3.850 4.048 -0.198 18788 11096 1 15 . 1 1 120 120 THR C C 120 176.400 176.400 175.240 1.160 18788 11097 1 15 . 1 1 120 120 THR CA C 120 69.100 69.100 66.864 2.236 18788 11098 1 15 . 1 1 120 120 THR CB C 120 66.800 66.800 68.538 -1.738 18788 11099 1 15 . 1 1 120 120 THR H H 120 10.730 10.730 9.297 1.433 18788 11100 1 15 . 1 1 121 121 HIS N N 121 113.400 113.400 117.299 -3.899 18788 11101 1 15 . 1 1 121 121 HIS HA H 121 5.420 5.420 4.836 0.584 18788 11102 1 15 . 1 1 121 121 HIS C C 121 174.800 174.800 175.281 -0.481 18788 11103 1 15 . 1 1 121 121 HIS CA C 121 53.900 53.900 55.224 -1.324 18788 11104 1 15 . 1 1 121 121 HIS CB C 121 29.400 29.400 30.166 -0.766 18788 11105 1 15 . 1 1 121 121 HIS H H 121 6.860 6.860 7.626 -0.766 18788 11106 1 15 . 1 1 122 122 GLU N N 122 120.200 120.200 121.923 -1.723 18788 11107 1 15 . 1 1 122 122 GLU HA H 122 3.700 3.700 3.995 -0.295 18788 11108 1 15 . 1 1 122 122 GLU C C 122 177.200 177.200 178.043 -0.843 18788 11109 1 15 . 1 1 122 122 GLU CA C 122 61.200 61.200 60.507 0.693 18788 11110 1 15 . 1 1 122 122 GLU CB C 122 29.900 29.900 29.624 0.276 18788 11111 1 15 . 1 1 122 122 GLU H H 122 7.540 7.540 7.794 -0.254 18788 11112 1 15 . 1 1 123 123 GLN N N 123 117.200 117.200 117.597 -0.397 18788 11113 1 15 . 1 1 123 123 GLN HA H 123 3.970 3.970 4.092 -0.122 18788 11114 1 15 . 1 1 123 123 GLN C C 123 178.600 178.600 178.228 0.372 18788 11115 1 15 . 1 1 123 123 GLN CA C 123 59.500 59.500 58.346 1.154 18788 11116 1 15 . 1 1 123 123 GLN CB C 123 27.100 27.100 27.546 -0.445 18788 11117 1 15 . 1 1 123 123 GLN H H 123 8.920 8.920 8.390 0.530 18788 11118 1 15 . 1 1 124 124 LEU N N 124 122.000 122.000 122.330 -0.330 18788 11119 1 15 . 1 1 124 124 LEU HA H 124 4.090 4.090 4.177 -0.087 18788 11120 1 15 . 1 1 124 124 LEU C C 124 179.100 179.100 178.354 0.746 18788 11121 1 15 . 1 1 124 124 LEU CA C 124 58.600 58.600 57.398 1.202 18788 11122 1 15 . 1 1 124 124 LEU CB C 124 42.000 42.000 41.104 0.896 18788 11123 1 15 . 1 1 124 124 LEU H H 124 7.940 7.940 7.636 0.304 18788 11124 1 15 . 1 1 125 125 LEU N N 125 118.900 118.900 117.700 1.200 18788 11125 1 15 . 1 1 125 125 LEU HA H 125 4.000 4.000 3.988 0.012 18788 11126 1 15 . 1 1 125 125 LEU C C 125 179.200 179.200 179.275 -0.075 18788 11127 1 15 . 1 1 125 125 LEU CA C 125 58.900 58.900 57.684 1.216 18788 11128 1 15 . 1 1 125 125 LEU CB C 125 41.100 41.100 41.263 -0.163 18788 11129 1 15 . 1 1 125 125 LEU H H 125 8.030 8.030 7.955 0.075 18788 11130 1 15 . 1 1 126 126 ARG N N 126 118.800 118.800 119.024 -0.224 18788 11131 1 15 . 1 1 126 126 ARG HA H 126 4.030 4.030 3.925 0.105 18788 11132 1 15 . 1 1 126 126 ARG C C 126 179.700 179.700 178.339 1.361 18788 11133 1 15 . 1 1 126 126 ARG CA C 126 60.600 60.600 59.969 0.631 18788 11134 1 15 . 1 1 126 126 ARG CB C 126 29.100 29.100 29.896 -0.796 18788 11135 1 15 . 1 1 126 126 ARG H H 126 9.010 9.010 8.099 0.911 18788 11136 1 15 . 1 1 127 127 LYS N N 127 122.700 122.700 119.315 3.385 18788 11137 1 15 . 1 1 127 127 LYS HA H 127 4.150 4.150 4.109 0.041 18788 11138 1 15 . 1 1 127 127 LYS C C 127 179.800 179.800 178.950 0.850 18788 11139 1 15 . 1 1 127 127 LYS CA C 127 60.100 60.100 58.834 1.266 18788 11140 1 15 . 1 1 127 127 LYS CB C 127 31.700 31.700 31.311 0.389 18788 11141 1 15 . 1 1 127 127 LYS H H 127 8.160 8.160 7.688 0.472 18788 11142 1 15 . 1 1 128 128 SER N N 128 118.300 118.300 116.919 1.381 18788 11143 1 15 . 1 1 128 128 SER HA H 128 4.320 4.320 4.131 0.189 18788 11144 1 15 . 1 1 128 128 SER C C 128 175.500 175.500 176.293 -0.793 18788 11145 1 15 . 1 1 128 128 SER CA C 128 63.600 63.600 62.785 0.815 18788 11146 1 15 . 1 1 128 128 SER CB C 128 62.600 62.600 62.970 -0.370 18788 11147 1 15 . 1 1 128 128 SER H H 128 7.830 7.830 7.628 0.202 18788 11148 1 15 . 1 1 129 129 GLU N N 129 125.200 125.200 122.867 2.333 18788 11149 1 15 . 1 1 129 129 GLU HA H 129 3.900 3.900 4.094 -0.194 18788 11150 1 15 . 1 1 129 129 GLU C C 129 177.400 177.400 178.217 -0.817 18788 11151 1 15 . 1 1 129 129 GLU CA C 129 59.200 59.200 59.256 -0.056 18788 11152 1 15 . 1 1 129 129 GLU CB C 129 30.900 30.900 29.689 1.211 18788 11153 1 15 . 1 1 129 129 GLU H H 129 8.580 8.580 8.218 0.362 18788 11154 1 15 . 1 1 130 130 ALA N N 130 119.500 119.500 121.854 -2.354 18788 11155 1 15 . 1 1 130 130 ALA HA H 130 3.850 3.850 3.807 0.043 18788 11156 1 15 . 1 1 130 130 ALA C C 130 181.000 181.000 179.739 1.261 18788 11157 1 15 . 1 1 130 130 ALA CA C 130 55.000 55.000 55.146 -0.146 18788 11158 1 15 . 1 1 130 130 ALA CB C 130 17.600 17.600 17.783 -0.183 18788 11159 1 15 . 1 1 130 130 ALA H H 130 7.950 7.950 7.852 0.098 18788 11160 1 15 . 1 1 131 131 GLN N N 131 118.600 118.600 118.944 -0.344 18788 11161 1 15 . 1 1 131 131 GLN HA H 131 3.990 3.990 3.982 0.008 18788 11162 1 15 . 1 1 131 131 GLN C C 131 177.200 177.200 177.811 -0.611 18788 11163 1 15 . 1 1 131 131 GLN CA C 131 58.800 58.800 58.437 0.363 18788 11164 1 15 . 1 1 131 131 GLN CB C 131 28.000 28.000 28.526 -0.526 18788 11165 1 15 . 1 1 131 131 GLN H H 131 7.520 7.520 7.679 -0.159 18788 11166 1 15 . 1 1 132 132 ALA N N 132 123.100 123.100 122.041 1.059 18788 11167 1 15 . 1 1 132 132 ALA HA H 132 3.930 3.930 4.037 -0.107 18788 11168 1 15 . 1 1 132 132 ALA C C 132 179.500 179.500 179.511 -0.011 18788 11169 1 15 . 1 1 132 132 ALA CA C 132 55.600 55.600 54.977 0.623 18788 11170 1 15 . 1 1 132 132 ALA CB C 132 18.400 18.400 18.480 -0.080 18788 11171 1 15 . 1 1 132 132 ALA H H 132 8.000 8.000 7.630 0.370 18788 11172 1 15 . 1 1 133 133 LYS N N 133 117.200 117.200 118.008 -0.808 18788 11173 1 15 . 1 1 133 133 LYS HA H 133 3.450 3.450 3.307 0.143 18788 11174 1 15 . 1 1 133 133 LYS C C 133 180.800 180.800 179.463 1.337 18788 11175 1 15 . 1 1 133 133 LYS CA C 133 59.500 59.500 59.230 0.270 18788 11176 1 15 . 1 1 133 133 LYS CB C 133 32.200 32.200 31.988 0.212 18788 11177 1 15 . 1 1 133 133 LYS H H 133 8.170 8.170 8.027 0.143 18788 11178 1 15 . 1 1 134 134 LYS N N 134 122.600 122.600 118.685 3.915 18788 11179 1 15 . 1 1 134 134 LYS HA H 134 3.960 3.960 4.119 -0.159 18788 11180 1 15 . 1 1 134 134 LYS C C 134 178.700 178.700 178.735 -0.035 18788 11181 1 15 . 1 1 134 134 LYS CA C 134 59.200 59.200 58.544 0.656 18788 11182 1 15 . 1 1 134 134 LYS CB C 134 32.200 32.200 31.682 0.518 18788 11183 1 15 . 1 1 134 134 LYS H H 134 7.830 7.830 7.560 0.270 18788 11184 1 15 . 1 1 135 135 GLU N N 135 116.500 116.500 118.346 -1.846 18788 11185 1 15 . 1 1 135 135 GLU HA H 135 4.030 4.030 4.295 -0.265 18788 11186 1 15 . 1 1 135 135 GLU C C 135 174.500 174.500 176.077 -1.577 18788 11187 1 15 . 1 1 135 135 GLU CA C 135 56.700 56.700 56.475 0.225 18788 11188 1 15 . 1 1 135 135 GLU CB C 135 29.700 29.700 29.606 0.094 18788 11189 1 15 . 1 1 135 135 GLU H H 135 7.680 7.680 7.671 0.009 18788 11190 1 15 . 1 1 136 136 LYS N N 136 116.800 116.800 117.818 -1.018 18788 11191 1 15 . 1 1 136 136 LYS HA H 136 3.540 3.540 3.983 -0.443 18788 11192 1 15 . 1 1 136 136 LYS C C 136 175.000 175.000 176.250 -1.250 18788 11193 1 15 . 1 1 136 136 LYS CA C 136 56.800 56.800 56.711 0.089 18788 11194 1 15 . 1 1 136 136 LYS CB C 136 28.800 28.800 30.046 -1.246 18788 11195 1 15 . 1 1 136 136 LYS H H 136 7.820 7.820 7.510 0.310 18788 11196 1 15 . 1 1 137 137 LEU N N 137 117.000 117.000 117.366 -0.366 18788 11197 1 15 . 1 1 137 137 LEU HA H 137 4.190 4.190 4.290 -0.100 18788 11198 1 15 . 1 1 137 137 LEU C C 137 178.500 178.500 178.068 0.432 18788 11199 1 15 . 1 1 137 137 LEU CA C 137 55.000 55.000 54.481 0.519 18788 11200 1 15 . 1 1 137 137 LEU CB C 137 44.000 44.000 42.947 1.053 18788 11201 1 15 . 1 1 137 137 LEU H H 137 7.650 7.650 7.558 0.093 18788 11202 1 15 . 1 1 138 138 ASN N N 138 118.700 118.700 118.977 -0.277 18788 11203 1 15 . 1 1 138 138 ASN HA H 138 3.730 3.730 4.238 -0.508 18788 11204 1 15 . 1 1 138 138 ASN C C 138 176.300 176.300 177.512 -1.212 18788 11205 1 15 . 1 1 138 138 ASN CA C 138 56.600 56.600 56.003 0.597 18788 11206 1 15 . 1 1 138 138 ASN CB C 138 38.700 38.700 38.061 0.639 18788 11207 1 15 . 1 1 138 138 ASN H H 138 9.050 9.050 8.884 0.166 18788 11208 1 15 . 1 1 139 139 ILE N N 139 123.800 123.800 113.111 10.689 18788 11209 1 15 . 1 1 139 139 ILE HA H 139 3.380 3.380 3.966 -0.586 18788 11210 1 15 . 1 1 139 139 ILE C C 139 176.700 176.700 175.693 1.007 18788 11211 1 15 . 1 1 139 139 ILE CA C 139 65.700 65.700 62.910 2.790 18788 11212 1 15 . 1 1 139 139 ILE CB C 139 37.000 37.000 37.633 -0.633 18788 11213 1 15 . 1 1 139 139 ILE H H 139 8.350 8.350 7.412 0.938 18788 11214 1 15 . 1 1 140 140 TRP N N 140 119.700 119.700 119.204 0.496 18788 11215 1 15 . 1 1 140 140 TRP HA H 140 4.940 4.940 4.717 0.223 18788 11216 1 15 . 1 1 140 140 TRP C C 140 176.200 176.200 177.700 -1.500 18788 11217 1 15 . 1 1 140 140 TRP CA C 140 54.900 54.900 56.431 -1.531 18788 11218 1 15 . 1 1 140 140 TRP CB C 140 30.000 30.000 30.187 -0.187 18788 11219 1 15 . 1 1 140 140 TRP H H 140 7.850 7.850 7.930 -0.080 18788 11220 1 15 . 1 1 141 141 SER N N 141 116.100 116.100 116.032 0.068 18788 11221 1 15 . 1 1 141 141 SER HA H 141 4.220 4.220 4.468 -0.248 18788 11222 1 15 . 1 1 141 141 SER C C 141 175.200 175.200 174.412 0.788 18788 11223 1 15 . 1 1 141 141 SER CA C 141 59.800 59.800 57.638 2.162 18788 11224 1 15 . 1 1 141 141 SER CB C 141 64.600 64.600 61.300 3.300 18788 11225 1 15 . 1 1 141 141 SER H H 141 8.080 8.080 7.914 0.166 18788 11226 1 15 . 1 1 142 142 GLU N N 142 121.200 121.200 120.219 0.981 18788 11227 1 15 . 1 1 142 142 GLU HA H 142 4.430 4.430 4.196 0.234 18788 11228 1 15 . 1 1 142 142 GLU C C 142 176.200 176.200 176.437 -0.237 18788 11229 1 15 . 1 1 142 142 GLU CA C 142 56.100 56.100 57.772 -1.672 18788 11230 1 15 . 1 1 142 142 GLU CB C 142 30.500 30.500 30.081 0.419 18788 11231 1 15 . 1 1 142 142 GLU H H 142 8.020 8.020 7.966 0.054 18788 11232 1 15 . 1 1 143 143 ASP N N 143 121.400 121.400 119.193 2.207 18788 11233 1 15 . 1 1 143 143 ASP HA H 143 4.620 4.620 4.787 -0.167 18788 11234 1 15 . 1 1 143 143 ASP C C 143 176.100 176.100 175.405 0.695 18788 11235 1 15 . 1 1 143 143 ASP CA C 143 54.800 54.800 53.235 1.565 18788 11236 1 15 . 1 1 143 143 ASP CB C 143 41.200 41.200 41.646 -0.446 18788 11237 1 15 . 1 1 143 143 ASP H H 143 8.370 8.370 7.764 0.606 18788 11238 1 15 . 1 1 144 144 ASN N N 144 119.300 119.300 124.285 -4.985 18788 11239 1 15 . 1 1 144 144 ASN HA H 144 4.760 4.760 4.697 0.063 18788 11240 1 15 . 1 1 144 144 ASN C C 144 175.200 175.200 175.663 -0.463 18788 11241 1 15 . 1 1 144 144 ASN CA C 144 53.200 53.200 53.460 -0.260 18788 11242 1 15 . 1 1 144 144 ASN CB C 144 39.000 39.000 38.922 0.078 18788 11243 1 15 . 1 1 144 144 ASN H H 144 8.400 8.400 8.864 -0.464 18788 11244 1 15 . 1 1 145 145 ALA N N 145 124.300 124.300 123.170 1.130 18788 11245 1 15 . 1 1 145 145 ALA HA H 145 4.310 4.310 4.351 -0.041 18788 11246 1 15 . 1 1 145 145 ALA C C 145 177.700 177.700 177.012 0.688 18788 11247 1 15 . 1 1 145 145 ALA CA C 145 53.300 53.300 52.657 0.642 18788 11248 1 15 . 1 1 145 145 ALA CB C 145 19.200 19.200 17.069 2.131 18788 11249 1 15 . 1 1 145 145 ALA H H 145 8.240 8.240 8.187 0.053 18788 11250 1 15 . 1 1 146 146 ASP N N 146 119.200 119.200 121.084 -1.884 18788 11251 1 15 . 1 1 146 146 ASP HA H 146 4.670 4.670 4.637 0.033 18788 11252 1 15 . 1 1 146 146 ASP C C 146 176.400 176.400 176.832 -0.432 18788 11253 1 15 . 1 1 146 146 ASP CA C 146 54.400 54.400 55.236 -0.836 18788 11254 1 15 . 1 1 146 146 ASP CB C 146 41.200 41.200 42.176 -0.976 18788 11255 1 15 . 1 1 146 146 ASP H H 146 8.340 8.340 8.281 0.059 18788 11256 1 15 . 1 1 147 147 SER N N 147 116.100 116.100 116.166 -0.066 18788 11257 1 15 . 1 1 147 147 SER HA H 147 4.450 4.450 4.747 -0.297 18788 11258 1 15 . 1 1 147 147 SER C C 147 175.200 175.200 173.881 1.319 18788 11259 1 15 . 1 1 147 147 SER CA C 147 58.900 58.900 58.054 0.846 18788 11260 1 15 . 1 1 147 147 SER CB C 147 64.100 64.100 63.512 0.588 18788 11261 1 15 . 1 1 147 147 SER H H 147 8.220 8.220 8.178 0.042 18788 11262 1 15 . 1 1 148 148 GLY N N 148 111.200 111.200 110.658 0.542 18788 11263 1 15 . 1 1 148 148 GLY C C 148 173.400 173.400 174.635 -1.235 18788 11264 1 15 . 1 1 148 148 GLY CA C 148 45.500 45.500 45.743 -0.243 18788 11265 1 15 . 1 1 148 148 GLY H H 148 8.470 8.470 8.411 0.059 18788 11266 1 16 . 1 1 2 2 THR N N 2 120.300 120.300 115.885 4.415 18788 11267 1 16 . 1 1 2 2 THR HA H 2 4.430 4.430 4.451 -0.021 18788 11268 1 16 . 1 1 2 2 THR C C 2 174.400 174.400 173.776 0.624 18788 11269 1 16 . 1 1 2 2 THR CA C 2 62.100 62.100 61.807 0.293 18788 11270 1 16 . 1 1 2 2 THR CB C 2 69.900 69.900 69.256 0.644 18788 11271 1 16 . 1 1 2 2 THR H H 2 8.320 8.320 8.177 0.143 18788 11272 1 16 . 1 1 3 3 SER N N 3 118.700 118.700 118.572 0.128 18788 11273 1 16 . 1 1 3 3 SER HA H 3 5.000 5.000 4.638 0.362 18788 11274 1 16 . 1 1 3 3 SER CA C 3 58.400 58.400 57.746 0.654 18788 11275 1 16 . 1 1 3 3 SER CB C 3 68.800 68.800 63.784 5.016 18788 11276 1 16 . 1 1 3 3 SER H H 3 8.520 8.520 7.736 0.784 18788 11277 1 16 . 1 1 4 4 THR HA H 4 4.380 4.380 4.580 -0.200 18788 11278 1 16 . 1 1 4 4 THR C C 4 174.400 174.400 174.609 -0.209 18788 11279 1 16 . 1 1 4 4 THR CA C 4 62.000 62.000 62.266 -0.266 18788 11280 1 16 . 1 1 4 4 THR CB C 4 69.700 69.700 69.896 -0.196 18788 11281 1 16 . 1 1 5 5 LYS N N 5 124.000 124.000 127.425 -3.425 18788 11282 1 16 . 1 1 5 5 LYS HA H 5 4.370 4.370 4.617 -0.247 18788 11283 1 16 . 1 1 5 5 LYS C C 5 176.100 176.100 175.767 0.333 18788 11284 1 16 . 1 1 5 5 LYS CA C 5 56.500 56.500 56.829 -0.329 18788 11285 1 16 . 1 1 5 5 LYS CB C 5 32.900 32.900 33.384 -0.484 18788 11286 1 16 . 1 1 5 5 LYS H H 5 8.320 8.320 8.737 -0.417 18788 11287 1 16 . 1 1 6 6 LYS N N 6 122.500 122.500 117.948 4.552 18788 11288 1 16 . 1 1 6 6 LYS HA H 6 4.400 4.400 4.475 -0.075 18788 11289 1 16 . 1 1 6 6 LYS C C 6 176.200 176.200 174.834 1.366 18788 11290 1 16 . 1 1 6 6 LYS CA C 6 55.900 55.900 56.241 -0.341 18788 11291 1 16 . 1 1 6 6 LYS CB C 6 33.600 33.600 33.880 -0.281 18788 11292 1 16 . 1 1 6 6 LYS H H 6 8.220 8.220 7.822 0.398 18788 11293 1 16 . 1 1 7 7 LEU N N 7 122.200 122.200 120.034 2.166 18788 11294 1 16 . 1 1 7 7 LEU HA H 7 4.550 4.550 4.544 0.006 18788 11295 1 16 . 1 1 7 7 LEU C C 7 176.600 176.600 176.242 0.358 18788 11296 1 16 . 1 1 7 7 LEU CA C 7 54.800 54.800 55.857 -1.057 18788 11297 1 16 . 1 1 7 7 LEU CB C 7 41.500 41.500 41.785 -0.285 18788 11298 1 16 . 1 1 7 7 LEU H H 7 8.340 8.340 8.919 -0.579 18788 11299 1 16 . 1 1 8 8 HIS N N 8 119.200 119.200 116.288 2.912 18788 11300 1 16 . 1 1 8 8 HIS HA H 8 4.990 4.990 4.964 0.026 18788 11301 1 16 . 1 1 8 8 HIS C C 8 173.700 173.700 174.174 -0.474 18788 11302 1 16 . 1 1 8 8 HIS CA C 8 55.300 55.300 54.185 1.115 18788 11303 1 16 . 1 1 8 8 HIS CB C 8 32.200 32.200 32.792 -0.592 18788 11304 1 16 . 1 1 8 8 HIS H H 8 8.860 8.860 8.378 0.482 18788 11305 1 16 . 1 1 9 9 LYS N N 9 124.000 124.000 125.279 -1.279 18788 11306 1 16 . 1 1 9 9 LYS HA H 9 4.840 4.840 4.639 0.201 18788 11307 1 16 . 1 1 9 9 LYS C C 9 176.400 176.400 176.245 0.155 18788 11308 1 16 . 1 1 9 9 LYS CA C 9 55.700 55.700 55.769 -0.069 18788 11309 1 16 . 1 1 9 9 LYS CB C 9 34.700 34.700 33.227 1.473 18788 11310 1 16 . 1 1 9 9 LYS H H 9 8.480 8.480 8.697 -0.217 18788 11311 1 16 . 1 1 10 10 GLU N N 10 123.100 123.100 124.412 -1.312 18788 11312 1 16 . 1 1 10 10 GLU HA H 10 5.060 5.060 5.036 0.024 18788 11313 1 16 . 1 1 10 10 GLU C C 10 173.200 173.200 174.450 -1.250 18788 11314 1 16 . 1 1 10 10 GLU CA C 10 53.400 53.400 52.925 0.475 18788 11315 1 16 . 1 1 10 10 GLU CB C 10 33.000 33.000 32.256 0.744 18788 11316 1 16 . 1 1 10 10 GLU H H 10 9.390 9.390 8.945 0.445 18788 11317 1 16 . 1 1 11 11 PRO HA H 11 4.900 4.900 4.916 -0.016 18788 11318 1 16 . 1 1 11 11 PRO C C 11 175.400 175.400 175.685 -0.285 18788 11319 1 16 . 1 1 11 11 PRO CA C 11 63.100 63.100 62.932 0.168 18788 11320 1 16 . 1 1 11 11 PRO CB C 11 33.000 33.000 32.281 0.719 18788 11321 1 16 . 1 1 12 12 ALA N N 12 119.700 119.700 124.235 -4.535 18788 11322 1 16 . 1 1 12 12 ALA HA H 12 4.990 4.990 5.229 -0.239 18788 11323 1 16 . 1 1 12 12 ALA C C 12 175.400 175.400 175.504 -0.104 18788 11324 1 16 . 1 1 12 12 ALA CA C 12 51.600 51.600 50.766 0.834 18788 11325 1 16 . 1 1 12 12 ALA CB C 12 24.600 24.600 23.402 1.198 18788 11326 1 16 . 1 1 12 12 ALA H H 12 8.070 8.070 8.940 -0.870 18788 11327 1 16 . 1 1 13 13 THR N N 13 109.100 109.100 113.921 -4.821 18788 11328 1 16 . 1 1 13 13 THR HA H 13 4.700 4.700 4.644 0.056 18788 11329 1 16 . 1 1 13 13 THR C C 13 174.000 174.000 172.969 1.031 18788 11330 1 16 . 1 1 13 13 THR CA C 13 60.700 60.700 61.455 -0.754 18788 11331 1 16 . 1 1 13 13 THR CB C 13 71.600 71.600 72.340 -0.740 18788 11332 1 16 . 1 1 13 13 THR H H 13 8.090 8.090 8.442 -0.352 18788 11333 1 16 . 1 1 14 14 LEU N N 14 125.200 125.200 126.192 -0.992 18788 11334 1 16 . 1 1 14 14 LEU HA H 14 4.140 4.140 4.247 -0.107 18788 11335 1 16 . 1 1 14 14 LEU C C 14 176.700 176.700 175.387 1.313 18788 11336 1 16 . 1 1 14 14 LEU CA C 14 56.800 56.800 56.058 0.742 18788 11337 1 16 . 1 1 14 14 LEU CB C 14 42.900 42.900 42.833 0.067 18788 11338 1 16 . 1 1 14 14 LEU H H 14 9.150 9.150 8.883 0.267 18788 11339 1 16 . 1 1 15 15 ILE N N 15 125.200 125.200 124.676 0.524 18788 11340 1 16 . 1 1 15 15 ILE HA H 15 4.220 4.220 4.174 0.046 18788 11341 1 16 . 1 1 15 15 ILE C C 15 175.900 175.900 175.494 0.406 18788 11342 1 16 . 1 1 15 15 ILE CA C 15 64.300 64.300 62.401 1.899 18788 11343 1 16 . 1 1 15 15 ILE CB C 15 38.700 38.700 39.384 -0.684 18788 11344 1 16 . 1 1 15 15 ILE H H 15 8.460 8.460 8.616 -0.156 18788 11345 1 16 . 1 1 16 16 LYS N N 16 114.100 114.100 119.084 -4.984 18788 11346 1 16 . 1 1 16 16 LYS HA H 16 4.460 4.460 4.619 -0.159 18788 11347 1 16 . 1 1 16 16 LYS C C 16 174.000 174.000 174.339 -0.339 18788 11348 1 16 . 1 1 16 16 LYS CA C 16 56.600 56.600 55.016 1.584 18788 11349 1 16 . 1 1 16 16 LYS CB C 16 35.300 35.300 36.953 -1.653 18788 11350 1 16 . 1 1 16 16 LYS H H 16 8.050 8.050 8.378 -0.328 18788 11351 1 16 . 1 1 17 17 ALA N N 17 129.100 129.100 127.104 1.996 18788 11352 1 16 . 1 1 17 17 ALA HA H 17 4.480 4.480 4.572 -0.092 18788 11353 1 16 . 1 1 17 17 ALA C C 17 175.700 175.700 176.282 -0.582 18788 11354 1 16 . 1 1 17 17 ALA CA C 17 52.300 52.300 51.840 0.460 18788 11355 1 16 . 1 1 17 17 ALA CB C 17 18.200 18.200 19.561 -1.361 18788 11356 1 16 . 1 1 17 17 ALA H H 17 9.470 9.470 8.714 0.756 18788 11357 1 16 . 1 1 18 18 ILE N N 18 123.500 123.500 123.791 -0.291 18788 11358 1 16 . 1 1 18 18 ILE HA H 18 4.110 4.110 4.280 -0.170 18788 11359 1 16 . 1 1 18 18 ILE C C 18 175.100 175.100 176.441 -1.341 18788 11360 1 16 . 1 1 18 18 ILE CA C 18 63.200 63.200 63.139 0.061 18788 11361 1 16 . 1 1 18 18 ILE CB C 18 37.800 37.800 39.015 -1.215 18788 11362 1 16 . 1 1 18 18 ILE H H 18 8.070 8.070 8.510 -0.440 18788 11363 1 16 . 1 1 19 19 ASP N N 19 120.500 120.500 117.292 3.208 18788 11364 1 16 . 1 1 19 19 ASP HA H 19 4.730 4.730 4.706 0.024 18788 11365 1 16 . 1 1 19 19 ASP C C 19 176.800 176.800 176.772 0.028 18788 11366 1 16 . 1 1 19 19 ASP CA C 19 53.400 53.400 52.577 0.823 18788 11367 1 16 . 1 1 19 19 ASP CB C 19 40.100 40.100 43.364 -3.264 18788 11368 1 16 . 1 1 19 19 ASP H H 19 8.290 8.290 8.068 0.223 18788 11369 1 16 . 1 1 20 20 GLY N N 20 103.500 103.500 107.610 -4.110 18788 11370 1 16 . 1 1 20 20 GLY C C 20 173.300 173.300 175.100 -1.800 18788 11371 1 16 . 1 1 20 20 GLY CA C 20 47.700 47.700 46.634 1.066 18788 11372 1 16 . 1 1 20 20 GLY H H 20 8.460 8.460 8.755 -0.295 18788 11373 1 16 . 1 1 21 21 ASP N N 21 111.200 111.200 120.595 -9.395 18788 11374 1 16 . 1 1 21 21 ASP HA H 21 4.850 4.850 4.550 0.300 18788 11375 1 16 . 1 1 21 21 ASP C C 21 175.300 175.300 175.495 -0.195 18788 11376 1 16 . 1 1 21 21 ASP CA C 21 52.100 52.100 56.125 -4.025 18788 11377 1 16 . 1 1 21 21 ASP CB C 21 40.600 40.600 41.755 -1.155 18788 11378 1 16 . 1 1 21 21 ASP H H 21 7.640 7.640 8.364 -0.724 18788 11379 1 16 . 1 1 22 22 THR N N 22 113.200 113.200 114.198 -0.998 18788 11380 1 16 . 1 1 22 22 THR HA H 22 5.700 5.700 5.434 0.266 18788 11381 1 16 . 1 1 22 22 THR C C 22 174.000 174.000 173.232 0.768 18788 11382 1 16 . 1 1 22 22 THR CA C 22 61.000 61.000 60.879 0.121 18788 11383 1 16 . 1 1 22 22 THR CB C 22 71.800 71.800 71.083 0.717 18788 11384 1 16 . 1 1 22 22 THR H H 22 7.610 7.610 7.420 0.190 18788 11385 1 16 . 1 1 23 23 VAL N N 23 118.000 118.000 119.753 -1.753 18788 11386 1 16 . 1 1 23 23 VAL HA H 23 4.620 4.620 4.726 -0.106 18788 11387 1 16 . 1 1 23 23 VAL C C 23 172.100 172.100 173.156 -1.056 18788 11388 1 16 . 1 1 23 23 VAL CA C 23 60.100 60.100 59.429 0.671 18788 11389 1 16 . 1 1 23 23 VAL CB C 23 36.200 36.200 35.173 1.027 18788 11390 1 16 . 1 1 23 23 VAL H H 23 8.910 8.910 9.097 -0.187 18788 11391 1 16 . 1 1 24 24 LYS N N 24 127.000 127.000 123.622 3.378 18788 11392 1 16 . 1 1 24 24 LYS HA H 24 5.440 5.440 5.158 0.282 18788 11393 1 16 . 1 1 24 24 LYS C C 24 175.200 175.200 174.952 0.248 18788 11394 1 16 . 1 1 24 24 LYS CA C 24 55.600 55.600 55.020 0.580 18788 11395 1 16 . 1 1 24 24 LYS CB C 24 34.400 34.400 34.564 -0.164 18788 11396 1 16 . 1 1 24 24 LYS H H 24 9.470 9.470 8.986 0.484 18788 11397 1 16 . 1 1 25 25 LEU N N 25 127.000 127.000 123.150 3.850 18788 11398 1 16 . 1 1 25 25 LEU HA H 25 5.210 5.210 4.964 0.246 18788 11399 1 16 . 1 1 25 25 LEU C C 25 174.500 174.500 174.816 -0.316 18788 11400 1 16 . 1 1 25 25 LEU CA C 25 53.100 53.100 52.921 0.179 18788 11401 1 16 . 1 1 25 25 LEU CB C 25 45.500 45.500 45.105 0.395 18788 11402 1 16 . 1 1 25 25 LEU H H 25 9.380 9.380 9.236 0.144 18788 11403 1 16 . 1 1 26 26 MET N N 26 122.000 122.000 120.055 1.945 18788 11404 1 16 . 1 1 26 26 MET HA H 26 4.880 4.880 5.015 -0.135 18788 11405 1 16 . 1 1 26 26 MET C C 26 175.100 175.100 174.512 0.588 18788 11406 1 16 . 1 1 26 26 MET CA C 26 54.700 54.700 54.928 -0.228 18788 11407 1 16 . 1 1 26 26 MET CB C 26 31.400 31.400 33.591 -2.191 18788 11408 1 16 . 1 1 26 26 MET H H 26 9.530 9.530 9.034 0.496 18788 11409 1 16 . 1 1 27 27 TYR N N 27 129.600 129.600 129.907 -0.307 18788 11410 1 16 . 1 1 27 27 TYR HA H 27 5.050 5.050 4.801 0.248 18788 11411 1 16 . 1 1 27 27 TYR C C 27 173.900 173.900 174.954 -1.054 18788 11412 1 16 . 1 1 27 27 TYR CA C 27 57.000 57.000 56.760 0.240 18788 11413 1 16 . 1 1 27 27 TYR CB C 27 41.700 41.700 38.908 2.792 18788 11414 1 16 . 1 1 27 27 TYR H H 27 9.040 9.040 9.483 -0.443 18788 11415 1 16 . 1 1 28 28 LYS N N 28 127.600 127.600 126.899 0.701 18788 11416 1 16 . 1 1 28 28 LYS HA H 28 3.590 3.590 3.795 -0.205 18788 11417 1 16 . 1 1 28 28 LYS C C 28 176.900 176.900 175.965 0.935 18788 11418 1 16 . 1 1 28 28 LYS CA C 28 57.100 57.100 57.093 0.007 18788 11419 1 16 . 1 1 28 28 LYS CB C 28 29.700 29.700 30.681 -0.981 18788 11420 1 16 . 1 1 28 28 LYS H H 28 9.310 9.310 8.983 0.327 18788 11421 1 16 . 1 1 29 29 GLY N N 29 102.400 102.400 103.602 -1.202 18788 11422 1 16 . 1 1 29 29 GLY C C 29 173.600 173.600 173.756 -0.156 18788 11423 1 16 . 1 1 29 29 GLY CA C 29 45.600 45.600 45.066 0.534 18788 11424 1 16 . 1 1 29 29 GLY H H 29 8.450 8.450 8.284 0.166 18788 11425 1 16 . 1 1 30 30 GLN N N 30 119.300 119.300 120.787 -1.487 18788 11426 1 16 . 1 1 30 30 GLN HA H 30 5.030 5.030 4.883 0.147 18788 11427 1 16 . 1 1 30 30 GLN C C 30 173.200 173.200 173.588 -0.388 18788 11428 1 16 . 1 1 30 30 GLN CA C 30 52.200 52.200 52.226 -0.026 18788 11429 1 16 . 1 1 30 30 GLN CB C 30 31.200 31.200 29.204 1.996 18788 11430 1 16 . 1 1 30 30 GLN H H 30 7.820 7.820 7.858 -0.038 18788 11431 1 16 . 1 1 31 31 PRO HA H 31 4.880 4.880 4.845 0.035 18788 11432 1 16 . 1 1 31 31 PRO C C 31 177.400 177.400 175.964 1.436 18788 11433 1 16 . 1 1 31 31 PRO CA C 31 62.600 62.600 63.064 -0.464 18788 11434 1 16 . 1 1 31 31 PRO CB C 31 31.900 31.900 31.774 0.126 18788 11435 1 16 . 1 1 32 32 MET N N 32 125.700 125.700 126.404 -0.704 18788 11436 1 16 . 1 1 32 32 MET HA H 32 4.670 4.670 4.872 -0.202 18788 11437 1 16 . 1 1 32 32 MET C C 32 174.600 174.600 174.426 0.174 18788 11438 1 16 . 1 1 32 32 MET CA C 32 55.800 55.800 54.830 0.970 18788 11439 1 16 . 1 1 32 32 MET CB C 32 37.200 37.200 37.242 -0.042 18788 11440 1 16 . 1 1 32 32 MET H H 32 9.570 9.570 9.449 0.121 18788 11441 1 16 . 1 1 33 33 THR N N 33 123.600 123.600 123.300 0.300 18788 11442 1 16 . 1 1 33 33 THR HA H 33 4.510 4.510 5.062 -0.552 18788 11443 1 16 . 1 1 33 33 THR C C 33 173.100 173.100 173.933 -0.833 18788 11444 1 16 . 1 1 33 33 THR CA C 33 64.300 64.300 62.857 1.443 18788 11445 1 16 . 1 1 33 33 THR CB C 33 68.800 68.800 69.185 -0.385 18788 11446 1 16 . 1 1 33 33 THR H H 33 8.990 8.990 8.675 0.315 18788 11447 1 16 . 1 1 34 34 PHE N N 34 126.100 126.100 126.889 -0.789 18788 11448 1 16 . 1 1 34 34 PHE HA H 34 4.890 4.890 5.009 -0.119 18788 11449 1 16 . 1 1 34 34 PHE C C 34 173.400 173.400 173.909 -0.509 18788 11450 1 16 . 1 1 34 34 PHE CA C 34 57.300 57.300 56.960 0.340 18788 11451 1 16 . 1 1 34 34 PHE CB C 34 41.900 41.900 42.687 -0.787 18788 11452 1 16 . 1 1 34 34 PHE H H 34 9.610 9.610 9.685 -0.075 18788 11453 1 16 . 1 1 35 35 ARG N N 35 124.200 124.200 121.341 2.859 18788 11454 1 16 . 1 1 35 35 ARG HA H 35 5.080 5.080 5.207 -0.127 18788 11455 1 16 . 1 1 35 35 ARG C C 35 174.600 174.600 174.633 -0.033 18788 11456 1 16 . 1 1 35 35 ARG CA C 35 52.100 52.100 54.406 -2.306 18788 11457 1 16 . 1 1 35 35 ARG CB C 35 33.600 33.600 34.489 -0.889 18788 11458 1 16 . 1 1 35 35 ARG H H 35 9.640 9.640 9.142 0.498 18788 11459 1 16 . 1 1 38 38 LEU HA H 38 4.330 4.330 4.345 -0.015 18788 11460 1 16 . 1 1 38 38 LEU C C 38 175.200 175.200 176.252 -1.052 18788 11461 1 16 . 1 1 38 38 LEU CA C 38 56.600 56.600 55.064 1.536 18788 11462 1 16 . 1 1 38 38 LEU CB C 38 40.100 40.100 40.687 -0.587 18788 11463 1 16 . 1 1 39 39 VAL N N 39 104.500 104.500 115.095 -10.595 18788 11464 1 16 . 1 1 39 39 VAL HA H 39 5.580 5.580 4.994 0.586 18788 11465 1 16 . 1 1 39 39 VAL C C 39 175.600 175.600 173.969 1.631 18788 11466 1 16 . 1 1 39 39 VAL CA C 39 57.800 57.800 58.659 -0.859 18788 11467 1 16 . 1 1 39 39 VAL CB C 39 36.400 36.400 35.070 1.330 18788 11468 1 16 . 1 1 39 39 VAL H H 39 6.920 6.920 8.009 -1.089 18788 11469 1 16 . 1 1 40 40 ASP N N 40 121.500 121.500 123.103 -1.603 18788 11470 1 16 . 1 1 40 40 ASP HA H 40 5.260 5.260 5.124 0.136 18788 11471 1 16 . 1 1 40 40 ASP C C 40 174.600 174.600 175.411 -0.811 18788 11472 1 16 . 1 1 40 40 ASP CA C 40 54.100 54.100 53.186 0.914 18788 11473 1 16 . 1 1 40 40 ASP CB C 40 44.100 44.100 43.748 0.352 18788 11474 1 16 . 1 1 40 40 ASP H H 40 8.880 8.880 9.040 -0.160 18788 11475 1 16 . 1 1 41 41 THR N N 41 118.700 118.700 116.540 2.160 18788 11476 1 16 . 1 1 41 41 THR HA H 41 5.020 5.020 4.946 0.074 18788 11477 1 16 . 1 1 41 41 THR CA C 41 58.300 58.300 58.451 -0.151 18788 11478 1 16 . 1 1 41 41 THR CB C 41 68.900 68.900 68.961 -0.061 18788 11479 1 16 . 1 1 41 41 THR H H 41 8.520 8.520 7.971 0.549 18788 11480 1 16 . 1 1 42 42 PRO HA H 42 4.440 4.440 4.547 -0.107 18788 11481 1 16 . 1 1 42 42 PRO CA C 42 62.200 62.200 62.450 -0.250 18788 11482 1 16 . 1 1 42 42 PRO CB C 42 32.300 32.300 29.658 2.642 18788 11483 1 16 . 1 1 50 50 GLY C C 50 179.800 179.800 175.197 4.603 18788 11484 1 16 . 1 1 51 51 VAL N N 51 119.200 119.200 115.041 4.159 18788 11485 1 16 . 1 1 51 51 VAL HA H 51 4.160 4.160 4.485 -0.325 18788 11486 1 16 . 1 1 51 51 VAL C C 51 178.600 178.600 175.196 3.404 18788 11487 1 16 . 1 1 51 51 VAL CA C 51 63.500 63.500 62.186 1.314 18788 11488 1 16 . 1 1 51 51 VAL H H 51 7.820 7.820 7.903 -0.083 18788 11489 1 16 . 1 1 54 54 TYR C C 54 176.300 176.300 174.594 1.706 18788 11490 1 16 . 1 1 55 55 GLY N N 55 108.900 108.900 113.709 -4.809 18788 11491 1 16 . 1 1 55 55 GLY C C 55 174.300 174.300 172.115 2.185 18788 11492 1 16 . 1 1 55 55 GLY CA C 55 48.400 48.400 44.529 3.871 18788 11493 1 16 . 1 1 55 55 GLY H H 55 8.810 8.810 8.129 0.681 18788 11494 1 16 . 1 1 57 57 GLU HA H 57 4.010 4.010 3.965 0.045 18788 11495 1 16 . 1 1 57 57 GLU C C 57 179.500 179.500 177.560 1.940 18788 11496 1 16 . 1 1 57 57 GLU CA C 57 61.700 61.700 56.482 5.218 18788 11497 1 16 . 1 1 58 58 ALA N N 58 125.000 125.000 122.217 2.783 18788 11498 1 16 . 1 1 58 58 ALA HA H 58 4.170 4.170 4.113 0.057 18788 11499 1 16 . 1 1 58 58 ALA C C 58 178.700 178.700 179.382 -0.682 18788 11500 1 16 . 1 1 58 58 ALA CA C 58 55.800 55.800 55.112 0.688 18788 11501 1 16 . 1 1 58 58 ALA CB C 58 18.200 18.200 17.879 0.321 18788 11502 1 16 . 1 1 58 58 ALA H H 58 8.940 8.940 8.534 0.405 18788 11503 1 16 . 1 1 59 59 SER N N 59 111.900 111.900 114.908 -3.008 18788 11504 1 16 . 1 1 59 59 SER HA H 59 3.740 3.740 4.254 -0.514 18788 11505 1 16 . 1 1 59 59 SER C C 59 177.100 177.100 176.589 0.511 18788 11506 1 16 . 1 1 59 59 SER CA C 59 62.000 62.000 61.016 0.984 18788 11507 1 16 . 1 1 59 59 SER CB C 59 62.900 62.900 62.559 0.341 18788 11508 1 16 . 1 1 59 59 SER H H 59 8.340 8.340 8.229 0.111 18788 11509 1 16 . 1 1 60 60 ALA N N 60 122.900 122.900 124.659 -1.759 18788 11510 1 16 . 1 1 60 60 ALA HA H 60 4.070 4.070 4.161 -0.091 18788 11511 1 16 . 1 1 60 60 ALA C C 60 179.100 179.100 179.291 -0.191 18788 11512 1 16 . 1 1 60 60 ALA CA C 60 55.100 55.100 54.531 0.569 18788 11513 1 16 . 1 1 60 60 ALA CB C 60 18.200 18.200 18.396 -0.196 18788 11514 1 16 . 1 1 60 60 ALA H H 60 8.440 8.440 7.641 0.799 18788 11515 1 16 . 1 1 61 61 PHE N N 61 121.700 121.700 119.309 2.391 18788 11516 1 16 . 1 1 61 61 PHE HA H 61 4.050 4.050 4.195 -0.145 18788 11517 1 16 . 1 1 61 61 PHE C C 61 178.100 178.100 177.440 0.660 18788 11518 1 16 . 1 1 61 61 PHE CA C 61 61.800 61.800 61.295 0.505 18788 11519 1 16 . 1 1 61 61 PHE CB C 61 39.800 39.800 39.171 0.629 18788 11520 1 16 . 1 1 61 61 PHE H H 61 8.190 8.190 8.835 -0.645 18788 11521 1 16 . 1 1 62 62 THR N N 62 120.200 120.200 116.186 4.014 18788 11522 1 16 . 1 1 62 62 THR HA H 62 3.560 3.560 3.758 -0.198 18788 11523 1 16 . 1 1 62 62 THR C C 62 175.300 175.300 176.015 -0.715 18788 11524 1 16 . 1 1 62 62 THR CA C 62 67.600 67.600 67.153 0.447 18788 11525 1 16 . 1 1 62 62 THR CB C 62 68.400 68.400 68.500 -0.100 18788 11526 1 16 . 1 1 62 62 THR H H 62 8.540 8.540 8.591 -0.051 18788 11527 1 16 . 1 1 63 63 LYS N N 63 120.000 120.000 121.790 -1.790 18788 11528 1 16 . 1 1 63 63 LYS HA H 63 3.560 3.560 3.838 -0.278 18788 11529 1 16 . 1 1 63 63 LYS C C 63 176.800 176.800 178.572 -1.772 18788 11530 1 16 . 1 1 63 63 LYS CA C 63 60.400 60.400 59.788 0.612 18788 11531 1 16 . 1 1 63 63 LYS CB C 63 33.300 33.300 32.490 0.810 18788 11532 1 16 . 1 1 63 63 LYS H H 63 7.910 7.910 8.103 -0.193 18788 11533 1 16 . 1 1 64 64 LYS N N 64 117.200 117.200 117.832 -0.632 18788 11534 1 16 . 1 1 64 64 LYS HA H 64 3.940 3.940 4.111 -0.171 18788 11535 1 16 . 1 1 64 64 LYS C C 64 178.700 178.700 179.303 -0.603 18788 11536 1 16 . 1 1 64 64 LYS CA C 64 59.200 59.200 59.422 -0.222 18788 11537 1 16 . 1 1 64 64 LYS CB C 64 31.900 31.900 32.460 -0.560 18788 11538 1 16 . 1 1 64 64 LYS H H 64 8.000 8.000 8.244 -0.244 18788 11539 1 16 . 1 1 65 65 MET N N 65 116.200 116.200 117.434 -1.234 18788 11540 1 16 . 1 1 65 65 MET HA H 65 3.890 3.890 4.168 -0.278 18788 11541 1 16 . 1 1 65 65 MET C C 65 179.200 179.200 178.370 0.830 18788 11542 1 16 . 1 1 65 65 MET CA C 65 59.800 59.800 58.681 1.119 18788 11543 1 16 . 1 1 65 65 MET CB C 65 32.200 32.200 32.463 -0.263 18788 11544 1 16 . 1 1 65 65 MET H H 65 7.680 7.680 7.542 0.138 18788 11545 1 16 . 1 1 66 66 VAL N N 66 107.700 107.700 114.669 -6.969 18788 11546 1 16 . 1 1 66 66 VAL HA H 66 4.150 4.150 3.860 0.290 18788 11547 1 16 . 1 1 66 66 VAL C C 66 177.500 177.500 177.325 0.175 18788 11548 1 16 . 1 1 66 66 VAL CA C 66 64.300 64.300 64.603 -0.302 18788 11549 1 16 . 1 1 66 66 VAL CB C 66 31.100 31.100 30.991 0.109 18788 11550 1 16 . 1 1 66 66 VAL H H 66 8.220 8.220 7.868 0.352 18788 11551 1 16 . 1 1 67 67 GLU N N 67 121.000 121.000 119.784 1.216 18788 11552 1 16 . 1 1 67 67 GLU HA H 67 3.960 3.960 4.078 -0.118 18788 11553 1 16 . 1 1 67 67 GLU C C 67 178.000 178.000 177.788 0.212 18788 11554 1 16 . 1 1 67 67 GLU CA C 67 59.200 59.200 59.000 0.200 18788 11555 1 16 . 1 1 67 67 GLU CB C 67 29.100 29.100 29.798 -0.698 18788 11556 1 16 . 1 1 67 67 GLU H H 67 8.750 8.750 8.055 0.695 18788 11557 1 16 . 1 1 68 68 ASN N N 68 113.400 113.400 115.211 -1.811 18788 11558 1 16 . 1 1 68 68 ASN HA H 68 4.660 4.660 4.662 -0.002 18788 11559 1 16 . 1 1 68 68 ASN C C 68 174.600 174.600 175.054 -0.454 18788 11560 1 16 . 1 1 68 68 ASN CA C 68 53.400 53.400 53.960 -0.560 18788 11561 1 16 . 1 1 68 68 ASN CB C 68 38.900 38.900 39.228 -0.328 18788 11562 1 16 . 1 1 68 68 ASN H H 68 7.400 7.400 8.043 -0.643 18788 11563 1 16 . 1 1 69 69 ALA N N 69 121.100 121.100 122.124 -1.024 18788 11564 1 16 . 1 1 69 69 ALA HA H 69 4.490 4.490 4.217 0.273 18788 11565 1 16 . 1 1 69 69 ALA C C 69 177.800 177.800 176.951 0.849 18788 11566 1 16 . 1 1 69 69 ALA CA C 69 51.400 51.400 52.424 -1.024 18788 11567 1 16 . 1 1 69 69 ALA CB C 69 19.200 19.200 19.160 0.040 18788 11568 1 16 . 1 1 69 69 ALA H H 69 6.680 6.680 7.336 -0.656 18788 11569 1 16 . 1 1 70 70 LYS N N 70 125.700 125.700 122.915 2.785 18788 11570 1 16 . 1 1 70 70 LYS HA H 70 4.370 4.370 4.294 0.076 18788 11571 1 16 . 1 1 70 70 LYS C C 70 177.800 177.800 177.422 0.378 18788 11572 1 16 . 1 1 70 70 LYS CA C 70 57.800 57.800 56.980 0.820 18788 11573 1 16 . 1 1 70 70 LYS CB C 70 32.000 32.000 33.150 -1.150 18788 11574 1 16 . 1 1 70 70 LYS H H 70 10.130 10.130 8.955 1.175 18788 11575 1 16 . 1 1 71 71 LYS N N 71 121.300 121.300 118.871 2.429 18788 11576 1 16 . 1 1 71 71 LYS HA H 71 4.660 4.660 4.555 0.105 18788 11577 1 16 . 1 1 71 71 LYS C C 71 174.600 174.600 174.806 -0.206 18788 11578 1 16 . 1 1 71 71 LYS CA C 71 55.500 55.500 55.735 -0.235 18788 11579 1 16 . 1 1 71 71 LYS CB C 71 35.400 35.400 33.514 1.886 18788 11580 1 16 . 1 1 71 71 LYS H H 71 8.920 8.920 7.366 1.554 18788 11581 1 16 . 1 1 72 72 ILE N N 72 128.900 128.900 126.623 2.277 18788 11582 1 16 . 1 1 72 72 ILE HA H 72 5.240 5.240 5.104 0.136 18788 11583 1 16 . 1 1 72 72 ILE C C 72 175.300 175.300 175.079 0.221 18788 11584 1 16 . 1 1 72 72 ILE CA C 72 58.700 58.700 60.258 -1.558 18788 11585 1 16 . 1 1 72 72 ILE CB C 72 38.100 38.100 39.379 -1.279 18788 11586 1 16 . 1 1 72 72 ILE H H 72 8.960 8.960 8.652 0.308 18788 11587 1 16 . 1 1 73 73 GLU N N 73 123.100 123.100 127.230 -4.130 18788 11588 1 16 . 1 1 73 73 GLU HA H 73 5.240 5.240 5.353 -0.113 18788 11589 1 16 . 1 1 73 73 GLU C C 73 174.900 174.900 175.347 -0.447 18788 11590 1 16 . 1 1 73 73 GLU CA C 73 53.600 53.600 54.368 -0.768 18788 11591 1 16 . 1 1 73 73 GLU CB C 73 36.200 36.200 33.684 2.516 18788 11592 1 16 . 1 1 73 73 GLU H H 73 8.810 8.810 8.868 -0.058 18788 11593 1 16 . 1 1 74 74 VAL N N 74 117.300 117.300 119.063 -1.763 18788 11594 1 16 . 1 1 74 74 VAL HA H 74 4.550 4.550 4.883 -0.333 18788 11595 1 16 . 1 1 74 74 VAL C C 74 174.000 174.000 174.313 -0.313 18788 11596 1 16 . 1 1 74 74 VAL CA C 74 59.500 59.500 59.615 -0.115 18788 11597 1 16 . 1 1 74 74 VAL CB C 74 34.200 34.200 33.657 0.543 18788 11598 1 16 . 1 1 74 74 VAL H H 74 9.510 9.510 9.054 0.456 18788 11599 1 16 . 1 1 75 75 GLU N N 75 126.900 126.900 127.630 -0.730 18788 11600 1 16 . 1 1 75 75 GLU HA H 75 5.160 5.160 5.203 -0.043 18788 11601 1 16 . 1 1 75 75 GLU C C 75 175.600 175.600 175.839 -0.239 18788 11602 1 16 . 1 1 75 75 GLU CA C 75 54.500 54.500 53.700 0.800 18788 11603 1 16 . 1 1 75 75 GLU CB C 75 35.900 35.900 32.348 3.552 18788 11604 1 16 . 1 1 75 75 GLU H H 75 8.860 8.860 9.088 -0.228 18788 11605 1 16 . 1 1 76 76 PHE N N 76 126.400 126.400 127.578 -1.178 18788 11606 1 16 . 1 1 76 76 PHE HA H 76 4.740 4.740 4.928 -0.188 18788 11607 1 16 . 1 1 76 76 PHE C C 76 175.600 175.600 175.948 -0.348 18788 11608 1 16 . 1 1 76 76 PHE CA C 76 59.500 59.500 59.086 0.414 18788 11609 1 16 . 1 1 76 76 PHE CB C 76 39.700 39.700 39.523 0.177 18788 11610 1 16 . 1 1 76 76 PHE H H 76 8.770 8.770 8.159 0.611 18788 11611 1 16 . 1 1 77 77 ASP N N 77 123.000 123.000 123.843 -0.843 18788 11612 1 16 . 1 1 77 77 ASP HA H 77 5.310 5.310 4.970 0.340 18788 11613 1 16 . 1 1 77 77 ASP C C 77 177.600 177.600 177.245 0.355 18788 11614 1 16 . 1 1 77 77 ASP CA C 77 51.800 51.800 54.224 -2.424 18788 11615 1 16 . 1 1 77 77 ASP CB C 77 42.900 42.900 43.129 -0.229 18788 11616 1 16 . 1 1 77 77 ASP H H 77 9.310 9.310 8.688 0.622 18788 11617 1 16 . 1 1 78 78 LYS N N 78 119.100 119.100 118.371 0.729 18788 11618 1 16 . 1 1 78 78 LYS HA H 78 4.240 4.240 4.599 -0.359 18788 11619 1 16 . 1 1 78 78 LYS C C 78 177.100 177.100 176.326 0.774 18788 11620 1 16 . 1 1 78 78 LYS CA C 78 57.700 57.700 56.828 0.872 18788 11621 1 16 . 1 1 78 78 LYS CB C 78 33.400 33.400 32.691 0.709 18788 11622 1 16 . 1 1 78 78 LYS H H 78 10.360 10.360 8.701 1.659 18788 11623 1 16 . 1 1 79 79 GLY N N 79 111.100 111.100 109.025 2.075 18788 11624 1 16 . 1 1 79 79 GLY C C 79 173.600 173.600 173.855 -0.255 18788 11625 1 16 . 1 1 79 79 GLY CA C 79 44.500 44.500 44.404 0.096 18788 11626 1 16 . 1 1 79 79 GLY H H 79 8.680 8.680 7.681 0.999 18788 11627 1 16 . 1 1 80 80 GLN N N 80 124.800 124.800 121.209 3.591 18788 11628 1 16 . 1 1 80 80 GLN HA H 80 4.140 4.140 4.476 -0.336 18788 11629 1 16 . 1 1 80 80 GLN C C 80 176.900 176.900 175.804 1.096 18788 11630 1 16 . 1 1 80 80 GLN CA C 80 57.200 57.200 55.976 1.224 18788 11631 1 16 . 1 1 80 80 GLN CB C 80 29.200 29.200 29.890 -0.690 18788 11632 1 16 . 1 1 80 80 GLN H H 80 8.800 8.800 8.909 -0.109 18788 11633 1 16 . 1 1 81 81 ARG N N 81 120.700 120.700 122.561 -1.861 18788 11634 1 16 . 1 1 81 81 ARG HA H 81 4.620 4.620 4.373 0.247 18788 11635 1 16 . 1 1 81 81 ARG C C 81 176.200 176.200 175.632 0.568 18788 11636 1 16 . 1 1 81 81 ARG CA C 81 57.500 57.500 58.187 -0.687 18788 11637 1 16 . 1 1 81 81 ARG CB C 81 32.000 32.000 31.091 0.909 18788 11638 1 16 . 1 1 81 81 ARG H H 81 8.640 8.640 8.750 -0.110 18788 11639 1 16 . 1 1 82 82 THR N N 82 107.900 107.900 108.242 -0.342 18788 11640 1 16 . 1 1 82 82 THR HA H 82 5.540 5.540 4.785 0.755 18788 11641 1 16 . 1 1 82 82 THR C C 82 174.600 174.600 173.727 0.873 18788 11642 1 16 . 1 1 82 82 THR CA C 82 58.400 58.400 60.095 -1.695 18788 11643 1 16 . 1 1 82 82 THR CB C 82 72.500 72.500 71.475 1.025 18788 11644 1 16 . 1 1 82 82 THR H H 82 7.300 7.300 7.410 -0.110 18788 11645 1 16 . 1 1 83 83 ASP N N 83 121.300 121.300 122.906 -1.606 18788 11646 1 16 . 1 1 83 83 ASP HA H 83 4.660 4.660 4.626 0.034 18788 11647 1 16 . 1 1 83 83 ASP C C 83 179.000 179.000 177.796 1.204 18788 11648 1 16 . 1 1 83 83 ASP CA C 83 51.700 51.700 53.991 -2.291 18788 11649 1 16 . 1 1 83 83 ASP CB C 83 42.100 42.100 43.176 -1.076 18788 11650 1 16 . 1 1 83 83 ASP H H 83 8.590 8.590 8.911 -0.321 18788 11651 1 16 . 1 1 85 85 TYR N N 85 119.300 119.300 117.389 1.911 18788 11652 1 16 . 1 1 85 85 TYR HA H 85 4.600 4.600 4.423 0.177 18788 11653 1 16 . 1 1 85 85 TYR C C 85 176.100 176.100 175.900 0.200 18788 11654 1 16 . 1 1 85 85 TYR CA C 85 57.100 57.100 58.337 -1.237 18788 11655 1 16 . 1 1 85 85 TYR CB C 85 37.900 37.900 38.294 -0.394 18788 11656 1 16 . 1 1 85 85 TYR H H 85 7.650 7.650 8.476 -0.826 18788 11657 1 16 . 1 1 86 86 GLY N N 86 108.500 108.500 106.171 2.329 18788 11658 1 16 . 1 1 86 86 GLY C C 86 174.400 174.400 174.132 0.268 18788 11659 1 16 . 1 1 86 86 GLY CA C 86 45.400 45.400 44.988 0.412 18788 11660 1 16 . 1 1 86 86 GLY H H 86 8.120 8.120 7.954 0.166 18788 11661 1 16 . 1 1 87 87 ARG N N 87 121.600 121.600 121.769 -0.169 18788 11662 1 16 . 1 1 87 87 ARG HA H 87 4.430 4.430 4.429 0.001 18788 11663 1 16 . 1 1 87 87 ARG C C 87 177.000 177.000 177.175 -0.175 18788 11664 1 16 . 1 1 87 87 ARG CA C 87 55.300 55.300 54.836 0.464 18788 11665 1 16 . 1 1 87 87 ARG CB C 87 30.000 30.000 29.558 0.442 18788 11666 1 16 . 1 1 87 87 ARG H H 87 8.600 8.600 7.684 0.916 18788 11667 1 16 . 1 1 88 88 GLY N N 88 108.000 108.000 111.435 -3.435 18788 11668 1 16 . 1 1 88 88 GLY C C 88 171.800 171.800 172.792 -0.992 18788 11669 1 16 . 1 1 88 88 GLY CA C 88 44.800 44.800 44.665 0.135 18788 11670 1 16 . 1 1 88 88 GLY H H 88 8.780 8.780 8.607 0.173 18788 11671 1 16 . 1 1 89 89 LEU N N 89 125.100 125.100 127.543 -2.443 18788 11672 1 16 . 1 1 89 89 LEU HA H 89 5.190 5.190 5.159 0.031 18788 11673 1 16 . 1 1 89 89 LEU C C 89 174.800 174.800 175.710 -0.910 18788 11674 1 16 . 1 1 89 89 LEU CA C 89 52.800 52.800 53.821 -1.021 18788 11675 1 16 . 1 1 89 89 LEU CB C 89 42.900 42.900 41.637 1.263 18788 11676 1 16 . 1 1 89 89 LEU H H 89 8.220 8.220 8.549 -0.329 18788 11677 1 16 . 1 1 90 90 ALA N N 90 119.900 119.900 125.113 -5.213 18788 11678 1 16 . 1 1 90 90 ALA HA H 90 4.790 4.790 4.728 0.062 18788 11679 1 16 . 1 1 90 90 ALA C C 90 177.000 177.000 175.248 1.752 18788 11680 1 16 . 1 1 90 90 ALA CA C 90 50.800 50.800 50.497 0.303 18788 11681 1 16 . 1 1 90 90 ALA CB C 90 23.700 23.700 22.316 1.384 18788 11682 1 16 . 1 1 90 90 ALA H H 90 7.400 7.400 7.805 -0.405 18788 11683 1 16 . 1 1 91 91 TYR N N 91 122.400 122.400 118.477 3.923 18788 11684 1 16 . 1 1 91 91 TYR HA H 91 4.650 4.650 4.578 0.072 18788 11685 1 16 . 1 1 91 91 TYR C C 91 174.600 174.600 174.931 -0.331 18788 11686 1 16 . 1 1 91 91 TYR CA C 91 57.200 57.200 57.207 -0.007 18788 11687 1 16 . 1 1 91 91 TYR CB C 91 37.600 37.600 38.843 -1.243 18788 11688 1 16 . 1 1 91 91 TYR H H 91 9.000 9.000 8.704 0.296 18788 11689 1 16 . 1 1 92 92 ILE N N 92 122.200 122.200 123.701 -1.501 18788 11690 1 16 . 1 1 92 92 ILE HA H 92 4.950 4.950 4.671 0.279 18788 11691 1 16 . 1 1 92 92 ILE C C 92 173.700 173.700 175.025 -1.325 18788 11692 1 16 . 1 1 92 92 ILE CA C 92 58.700 58.700 60.316 -1.616 18788 11693 1 16 . 1 1 92 92 ILE CB C 92 38.900 38.900 39.525 -0.625 18788 11694 1 16 . 1 1 92 92 ILE H H 92 7.830 7.830 8.768 -0.938 18788 11695 1 16 . 1 1 93 93 TYR N N 93 126.200 126.200 126.557 -0.357 18788 11696 1 16 . 1 1 93 93 TYR HA H 93 5.080 5.080 5.216 -0.136 18788 11697 1 16 . 1 1 93 93 TYR C C 93 173.900 173.900 174.677 -0.777 18788 11698 1 16 . 1 1 93 93 TYR CA C 93 56.500 56.500 55.893 0.607 18788 11699 1 16 . 1 1 93 93 TYR CB C 93 41.500 41.500 40.086 1.414 18788 11700 1 16 . 1 1 93 93 TYR H H 93 9.540 9.540 9.318 0.222 18788 11701 1 16 . 1 1 94 94 ALA N N 94 125.700 125.700 126.671 -0.971 18788 11702 1 16 . 1 1 94 94 ALA HA H 94 4.960 4.960 4.544 0.416 18788 11703 1 16 . 1 1 94 94 ALA C C 94 175.700 175.700 177.027 -1.327 18788 11704 1 16 . 1 1 94 94 ALA CA C 94 49.700 49.700 50.480 -0.780 18788 11705 1 16 . 1 1 94 94 ALA CB C 94 20.900 20.900 19.309 1.591 18788 11706 1 16 . 1 1 94 94 ALA H H 94 9.230 9.230 9.108 0.122 18788 11707 1 16 . 1 1 95 95 ASP N N 95 127.600 127.600 125.093 2.507 18788 11708 1 16 . 1 1 95 95 ASP HA H 95 4.430 4.430 4.259 0.171 18788 11709 1 16 . 1 1 95 95 ASP C C 95 176.100 176.100 176.175 -0.075 18788 11710 1 16 . 1 1 95 95 ASP CA C 95 56.500 56.500 55.617 0.882 18788 11711 1 16 . 1 1 95 95 ASP CB C 95 39.500 39.500 40.495 -0.995 18788 11712 1 16 . 1 1 95 95 ASP H H 95 9.720 9.720 9.256 0.464 18788 11713 1 16 . 1 1 96 96 GLY N N 96 103.000 103.000 102.385 0.615 18788 11714 1 16 . 1 1 96 96 GLY C C 96 173.800 173.800 174.423 -0.623 18788 11715 1 16 . 1 1 96 96 GLY CA C 96 45.400 45.400 45.193 0.207 18788 11716 1 16 . 1 1 96 96 GLY H H 96 9.420 9.420 8.138 1.282 18788 11717 1 16 . 1 1 97 97 LYS N N 97 121.400 121.400 122.334 -0.934 18788 11718 1 16 . 1 1 97 97 LYS HA H 97 4.670 4.670 4.495 0.175 18788 11719 1 16 . 1 1 97 97 LYS C C 97 176.000 176.000 175.915 0.085 18788 11720 1 16 . 1 1 97 97 LYS CA C 97 54.200 54.200 55.029 -0.829 18788 11721 1 16 . 1 1 97 97 LYS CB C 97 33.100 33.100 33.235 -0.135 18788 11722 1 16 . 1 1 97 97 LYS H H 97 7.870 7.870 8.034 -0.164 18788 11723 1 16 . 1 1 98 98 MET N N 98 127.000 127.000 124.987 2.013 18788 11724 1 16 . 1 1 98 98 MET HA H 98 3.780 3.780 3.952 -0.172 18788 11725 1 16 . 1 1 98 98 MET C C 98 177.700 177.700 176.973 0.727 18788 11726 1 16 . 1 1 98 98 MET CA C 98 56.100 56.100 55.362 0.738 18788 11727 1 16 . 1 1 98 98 MET CB C 98 34.700 34.700 31.920 2.780 18788 11728 1 16 . 1 1 98 98 MET H H 98 9.280 9.280 8.917 0.363 18788 11729 1 16 . 1 1 99 99 VAL N N 99 103.700 103.700 128.273 -24.573 18788 11730 1 16 . 1 1 99 99 VAL HA H 99 3.730 3.730 3.500 0.230 18788 11731 1 16 . 1 1 99 99 VAL C C 99 177.200 177.200 177.517 -0.317 18788 11732 1 16 . 1 1 99 99 VAL CA C 99 66.100 66.100 66.404 -0.304 18788 11733 1 16 . 1 1 99 99 VAL CB C 99 32.400 32.400 31.565 0.835 18788 11734 1 16 . 1 1 99 99 VAL H H 99 10.190 10.190 8.445 1.745 18788 11735 1 16 . 1 1 100 100 ASN N N 100 108.600 108.600 117.711 -9.111 18788 11736 1 16 . 1 1 100 100 ASN HA H 100 4.080 4.080 4.313 -0.233 18788 11737 1 16 . 1 1 100 100 ASN C C 100 174.200 174.200 176.863 -2.663 18788 11738 1 16 . 1 1 100 100 ASN CA C 100 57.200 57.200 56.080 1.120 18788 11739 1 16 . 1 1 100 100 ASN CB C 100 34.700 34.700 36.902 -2.202 18788 11740 1 16 . 1 1 100 100 ASN H H 100 9.670 9.670 8.256 1.414 18788 11741 1 16 . 1 1 101 101 GLU N N 101 112.800 112.800 121.467 -8.667 18788 11742 1 16 . 1 1 101 101 GLU HA H 101 3.660 3.660 3.935 -0.275 18788 11743 1 16 . 1 1 101 101 GLU C C 101 176.100 176.100 177.914 -1.814 18788 11744 1 16 . 1 1 101 101 GLU CA C 101 59.800 59.800 59.782 0.018 18788 11745 1 16 . 1 1 101 101 GLU CB C 101 30.200 30.200 29.384 0.816 18788 11746 1 16 . 1 1 101 101 GLU H H 101 6.150 6.150 8.181 -2.031 18788 11747 1 16 . 1 1 102 102 ALA N N 102 122.600 122.600 122.442 0.158 18788 11748 1 16 . 1 1 102 102 ALA HA H 102 4.070 4.070 4.129 -0.059 18788 11749 1 16 . 1 1 102 102 ALA C C 102 179.800 179.800 180.068 -0.268 18788 11750 1 16 . 1 1 102 102 ALA CA C 102 55.300 55.300 55.303 -0.004 18788 11751 1 16 . 1 1 102 102 ALA CB C 102 17.900 17.900 18.566 -0.666 18788 11752 1 16 . 1 1 102 102 ALA H H 102 7.810 7.810 7.543 0.267 18788 11753 1 16 . 1 1 103 103 LEU N N 103 116.100 116.100 119.461 -3.361 18788 11754 1 16 . 1 1 103 103 LEU HA H 103 3.280 3.280 3.985 -0.705 18788 11755 1 16 . 1 1 103 103 LEU C C 103 178.900 178.900 179.020 -0.120 18788 11756 1 16 . 1 1 103 103 LEU CA C 103 57.800 57.800 58.229 -0.429 18788 11757 1 16 . 1 1 103 103 LEU CB C 103 45.500 45.500 41.729 3.771 18788 11758 1 16 . 1 1 103 103 LEU H H 103 8.070 8.070 8.342 -0.272 18788 11759 1 16 . 1 1 104 104 VAL N N 104 116.600 116.600 118.402 -1.802 18788 11760 1 16 . 1 1 104 104 VAL HA H 104 3.870 3.870 4.048 -0.178 18788 11761 1 16 . 1 1 104 104 VAL C C 104 180.300 180.300 179.611 0.689 18788 11762 1 16 . 1 1 104 104 VAL CA C 104 65.000 65.000 65.679 -0.679 18788 11763 1 16 . 1 1 104 104 VAL CB C 104 32.000 32.000 31.754 0.246 18788 11764 1 16 . 1 1 104 104 VAL H H 104 6.890 6.890 8.322 -1.432 18788 11765 1 16 . 1 1 105 105 ARG N N 105 122.400 122.400 119.922 2.478 18788 11766 1 16 . 1 1 105 105 ARG HA H 105 4.130 4.130 4.395 -0.265 18788 11767 1 16 . 1 1 105 105 ARG C C 105 176.000 176.000 177.664 -1.664 18788 11768 1 16 . 1 1 105 105 ARG CA C 105 57.000 57.000 58.459 -1.460 18788 11769 1 16 . 1 1 105 105 ARG CB C 105 28.300 28.300 30.324 -2.024 18788 11770 1 16 . 1 1 105 105 ARG H H 105 9.140 9.140 8.551 0.589 18788 11771 1 16 . 1 1 106 106 GLN N N 106 112.000 112.000 116.470 -4.470 18788 11772 1 16 . 1 1 106 106 GLN HA H 106 4.320 4.320 4.292 0.028 18788 11773 1 16 . 1 1 106 106 GLN C C 106 175.600 175.600 175.472 0.128 18788 11774 1 16 . 1 1 106 106 GLN CA C 106 53.800 53.800 54.841 -1.041 18788 11775 1 16 . 1 1 106 106 GLN CB C 106 28.300 28.300 28.925 -0.625 18788 11776 1 16 . 1 1 106 106 GLN H H 106 7.120 7.120 7.872 -0.752 18788 11777 1 16 . 1 1 107 107 GLY N N 107 107.100 107.100 106.756 0.344 18788 11778 1 16 . 1 1 107 107 GLY C C 107 172.400 172.400 174.163 -1.763 18788 11779 1 16 . 1 1 107 107 GLY CA C 107 46.300 46.300 46.120 0.180 18788 11780 1 16 . 1 1 107 107 GLY H H 107 8.080 8.080 7.754 0.326 18788 11781 1 16 . 1 1 108 108 LEU N N 108 115.100 115.100 118.832 -3.732 18788 11782 1 16 . 1 1 108 108 LEU HA H 108 4.300 4.300 4.471 -0.171 18788 11783 1 16 . 1 1 108 108 LEU C C 108 172.500 172.500 175.246 -2.746 18788 11784 1 16 . 1 1 108 108 LEU CA C 108 53.300 53.300 54.557 -1.257 18788 11785 1 16 . 1 1 108 108 LEU CB C 108 43.500 43.500 42.907 0.593 18788 11786 1 16 . 1 1 108 108 LEU H H 108 7.810 7.810 8.669 -0.859 18788 11787 1 16 . 1 1 109 109 ALA N N 109 112.900 112.900 119.066 -6.166 18788 11788 1 16 . 1 1 109 109 ALA HA H 109 4.500 4.500 4.530 -0.030 18788 11789 1 16 . 1 1 109 109 ALA C C 109 174.800 174.800 175.740 -0.940 18788 11790 1 16 . 1 1 109 109 ALA CA C 109 49.900 49.900 50.820 -0.920 18788 11791 1 16 . 1 1 109 109 ALA CB C 109 24.900 24.900 21.722 3.178 18788 11792 1 16 . 1 1 109 109 ALA H H 109 6.950 6.950 7.557 -0.607 18788 11793 1 16 . 1 1 110 110 LYS N N 110 117.700 117.700 118.787 -1.087 18788 11794 1 16 . 1 1 110 110 LYS HA H 110 5.120 5.120 4.959 0.161 18788 11795 1 16 . 1 1 110 110 LYS C C 110 175.800 175.800 175.785 0.015 18788 11796 1 16 . 1 1 110 110 LYS CA C 110 53.800 53.800 54.218 -0.418 18788 11797 1 16 . 1 1 110 110 LYS CB C 110 35.300 35.300 35.724 -0.424 18788 11798 1 16 . 1 1 110 110 LYS H H 110 7.890 7.890 8.847 -0.957 18788 11799 1 16 . 1 1 111 111 VAL N N 111 123.100 123.100 121.732 1.368 18788 11800 1 16 . 1 1 111 111 VAL HA H 111 4.630 4.630 4.334 0.296 18788 11801 1 16 . 1 1 111 111 VAL C C 111 176.500 176.500 175.094 1.406 18788 11802 1 16 . 1 1 111 111 VAL CA C 111 63.100 63.100 62.020 1.079 18788 11803 1 16 . 1 1 111 111 VAL CB C 111 30.600 30.600 32.826 -2.226 18788 11804 1 16 . 1 1 111 111 VAL H H 111 9.180 9.180 9.085 0.095 18788 11805 1 16 . 1 1 112 112 ALA N N 112 131.500 131.500 129.573 1.927 18788 11806 1 16 . 1 1 112 112 ALA HA H 112 4.150 4.150 4.488 -0.338 18788 11807 1 16 . 1 1 112 112 ALA C C 112 173.300 173.300 175.754 -2.454 18788 11808 1 16 . 1 1 112 112 ALA CA C 112 51.300 51.300 50.299 1.001 18788 11809 1 16 . 1 1 112 112 ALA CB C 112 23.900 23.900 21.346 2.554 18788 11810 1 16 . 1 1 112 112 ALA H H 112 8.000 8.000 8.207 -0.207 18788 11811 1 16 . 1 1 114 114 VAL N N 114 123.100 123.100 124.617 -1.517 18788 11812 1 16 . 1 1 114 114 VAL HA H 114 3.550 3.550 3.913 -0.363 18788 11813 1 16 . 1 1 114 114 VAL C C 114 174.600 174.600 175.782 -1.182 18788 11814 1 16 . 1 1 114 114 VAL CA C 114 62.000 62.000 62.996 -0.996 18788 11815 1 16 . 1 1 114 114 VAL CB C 114 30.300 30.300 31.665 -1.365 18788 11816 1 16 . 1 1 114 114 VAL H H 114 7.480 7.480 8.140 -0.660 18788 11817 1 16 . 1 1 115 115 TYR N N 115 130.100 130.100 130.207 -0.107 18788 11818 1 16 . 1 1 115 115 TYR HA H 115 4.940 4.940 4.650 0.290 18788 11819 1 16 . 1 1 115 115 TYR C C 115 175.700 175.700 174.095 1.605 18788 11820 1 16 . 1 1 115 115 TYR CA C 115 54.900 54.900 56.605 -1.704 18788 11821 1 16 . 1 1 115 115 TYR CB C 115 38.200 38.200 39.454 -1.254 18788 11822 1 16 . 1 1 115 115 TYR H H 115 8.970 8.970 8.753 0.217 18788 11823 1 16 . 1 1 116 116 LYS N N 116 125.400 125.400 128.820 -3.420 18788 11824 1 16 . 1 1 116 116 LYS HA H 116 3.940 3.940 4.437 -0.497 18788 11825 1 16 . 1 1 116 116 LYS C C 116 175.100 175.100 175.133 -0.033 18788 11826 1 16 . 1 1 116 116 LYS CA C 116 56.400 56.400 54.257 2.143 18788 11827 1 16 . 1 1 116 116 LYS CB C 116 31.600 31.600 32.056 -0.456 18788 11828 1 16 . 1 1 116 116 LYS H H 116 8.770 8.770 8.411 0.359 18788 11829 1 16 . 1 1 117 117 PRO HA H 117 4.620 4.620 4.551 0.069 18788 11830 1 16 . 1 1 117 117 PRO C C 117 175.600 175.600 175.879 -0.279 18788 11831 1 16 . 1 1 117 117 PRO CA C 117 64.100 64.100 62.871 1.228 18788 11832 1 16 . 1 1 117 117 PRO CB C 117 32.600 32.600 31.934 0.666 18788 11833 1 16 . 1 1 118 118 ASN N N 118 128.800 128.800 120.643 8.157 18788 11834 1 16 . 1 1 118 118 ASN HA H 118 5.310 5.310 5.104 0.206 18788 11835 1 16 . 1 1 118 118 ASN C C 118 174.500 174.500 174.370 0.130 18788 11836 1 16 . 1 1 118 118 ASN CA C 118 51.600 51.600 53.641 -2.041 18788 11837 1 16 . 1 1 118 118 ASN CB C 118 36.200 36.200 37.745 -1.545 18788 11838 1 16 . 1 1 118 118 ASN H H 118 8.710 8.710 8.175 0.535 18788 11839 1 16 . 1 1 119 119 ASN N N 119 117.600 117.600 118.134 -0.534 18788 11840 1 16 . 1 1 119 119 ASN HA H 119 5.020 5.020 4.952 0.068 18788 11841 1 16 . 1 1 119 119 ASN C C 119 177.500 177.500 176.074 1.426 18788 11842 1 16 . 1 1 119 119 ASN CA C 119 51.900 51.900 53.280 -1.380 18788 11843 1 16 . 1 1 119 119 ASN CB C 119 39.100 39.100 39.407 -0.307 18788 11844 1 16 . 1 1 119 119 ASN H H 119 8.120 8.120 8.323 -0.203 18788 11845 1 16 . 1 1 120 120 THR N N 120 124.400 124.400 118.159 6.241 18788 11846 1 16 . 1 1 120 120 THR HA H 120 3.850 3.850 4.131 -0.281 18788 11847 1 16 . 1 1 120 120 THR C C 120 176.400 176.400 175.017 1.383 18788 11848 1 16 . 1 1 120 120 THR CA C 120 69.100 69.100 65.936 3.164 18788 11849 1 16 . 1 1 120 120 THR CB C 120 66.800 66.800 68.638 -1.838 18788 11850 1 16 . 1 1 120 120 THR H H 120 10.730 10.730 8.734 1.996 18788 11851 1 16 . 1 1 121 121 HIS N N 121 113.400 113.400 118.064 -4.664 18788 11852 1 16 . 1 1 121 121 HIS HA H 121 5.420 5.420 4.975 0.445 18788 11853 1 16 . 1 1 121 121 HIS C C 121 174.800 174.800 174.994 -0.194 18788 11854 1 16 . 1 1 121 121 HIS CA C 121 53.900 53.900 55.301 -1.401 18788 11855 1 16 . 1 1 121 121 HIS CB C 121 29.400 29.400 30.429 -1.029 18788 11856 1 16 . 1 1 121 121 HIS H H 121 6.860 6.860 7.760 -0.900 18788 11857 1 16 . 1 1 122 122 GLU N N 122 120.200 120.200 121.145 -0.945 18788 11858 1 16 . 1 1 122 122 GLU HA H 122 3.700 3.700 4.048 -0.348 18788 11859 1 16 . 1 1 122 122 GLU C C 122 177.200 177.200 178.035 -0.835 18788 11860 1 16 . 1 1 122 122 GLU CA C 122 61.200 61.200 60.163 1.037 18788 11861 1 16 . 1 1 122 122 GLU CB C 122 29.900 29.900 29.100 0.800 18788 11862 1 16 . 1 1 122 122 GLU H H 122 7.540 7.540 8.068 -0.528 18788 11863 1 16 . 1 1 123 123 GLN N N 123 117.200 117.200 118.141 -0.941 18788 11864 1 16 . 1 1 123 123 GLN HA H 123 3.970 3.970 4.056 -0.086 18788 11865 1 16 . 1 1 123 123 GLN C C 123 178.600 178.600 178.444 0.156 18788 11866 1 16 . 1 1 123 123 GLN CA C 123 59.500 59.500 58.055 1.445 18788 11867 1 16 . 1 1 123 123 GLN CB C 123 27.100 27.100 28.146 -1.046 18788 11868 1 16 . 1 1 123 123 GLN H H 123 8.920 8.920 8.552 0.368 18788 11869 1 16 . 1 1 124 124 LEU N N 124 122.000 122.000 122.042 -0.042 18788 11870 1 16 . 1 1 124 124 LEU HA H 124 4.090 4.090 4.114 -0.024 18788 11871 1 16 . 1 1 124 124 LEU C C 124 179.100 179.100 178.556 0.544 18788 11872 1 16 . 1 1 124 124 LEU CA C 124 58.600 58.600 57.707 0.893 18788 11873 1 16 . 1 1 124 124 LEU CB C 124 42.000 42.000 41.974 0.026 18788 11874 1 16 . 1 1 124 124 LEU H H 124 7.940 7.940 7.343 0.597 18788 11875 1 16 . 1 1 125 125 LEU N N 125 118.900 118.900 119.144 -0.244 18788 11876 1 16 . 1 1 125 125 LEU HA H 125 4.000 4.000 3.999 0.001 18788 11877 1 16 . 1 1 125 125 LEU C C 125 179.200 179.200 179.051 0.149 18788 11878 1 16 . 1 1 125 125 LEU CA C 125 58.900 58.900 57.883 1.017 18788 11879 1 16 . 1 1 125 125 LEU CB C 125 41.100 41.100 41.334 -0.234 18788 11880 1 16 . 1 1 125 125 LEU H H 125 8.030 8.030 7.607 0.423 18788 11881 1 16 . 1 1 126 126 ARG N N 126 118.800 118.800 119.708 -0.908 18788 11882 1 16 . 1 1 126 126 ARG HA H 126 4.030 4.030 3.833 0.197 18788 11883 1 16 . 1 1 126 126 ARG C C 126 179.700 179.700 178.146 1.554 18788 11884 1 16 . 1 1 126 126 ARG CA C 126 60.600 60.600 60.287 0.313 18788 11885 1 16 . 1 1 126 126 ARG CB C 126 29.100 29.100 30.170 -1.070 18788 11886 1 16 . 1 1 126 126 ARG H H 126 9.010 9.010 8.719 0.291 18788 11887 1 16 . 1 1 127 127 LYS N N 127 122.700 122.700 119.107 3.593 18788 11888 1 16 . 1 1 127 127 LYS HA H 127 4.150 4.150 4.052 0.098 18788 11889 1 16 . 1 1 127 127 LYS C C 127 179.800 179.800 178.897 0.903 18788 11890 1 16 . 1 1 127 127 LYS CA C 127 60.100 60.100 59.544 0.556 18788 11891 1 16 . 1 1 127 127 LYS CB C 127 31.700 31.700 32.314 -0.614 18788 11892 1 16 . 1 1 127 127 LYS H H 127 8.160 8.160 7.776 0.384 18788 11893 1 16 . 1 1 128 128 SER N N 128 118.300 118.300 115.708 2.592 18788 11894 1 16 . 1 1 128 128 SER HA H 128 4.320 4.320 4.125 0.195 18788 11895 1 16 . 1 1 128 128 SER C C 128 175.500 175.500 176.246 -0.746 18788 11896 1 16 . 1 1 128 128 SER CA C 128 63.600 63.600 62.686 0.914 18788 11897 1 16 . 1 1 128 128 SER CB C 128 62.600 62.600 62.894 -0.294 18788 11898 1 16 . 1 1 128 128 SER H H 128 7.830 7.830 8.137 -0.307 18788 11899 1 16 . 1 1 129 129 GLU N N 129 125.200 125.200 122.977 2.223 18788 11900 1 16 . 1 1 129 129 GLU HA H 129 3.900 3.900 4.106 -0.206 18788 11901 1 16 . 1 1 129 129 GLU C C 129 177.400 177.400 178.177 -0.777 18788 11902 1 16 . 1 1 129 129 GLU CA C 129 59.200 59.200 59.305 -0.105 18788 11903 1 16 . 1 1 129 129 GLU CB C 129 30.900 30.900 29.786 1.114 18788 11904 1 16 . 1 1 129 129 GLU H H 129 8.580 8.580 8.204 0.376 18788 11905 1 16 . 1 1 130 130 ALA N N 130 119.500 119.500 121.763 -2.263 18788 11906 1 16 . 1 1 130 130 ALA HA H 130 3.850 3.850 3.858 -0.008 18788 11907 1 16 . 1 1 130 130 ALA C C 130 181.000 181.000 179.850 1.150 18788 11908 1 16 . 1 1 130 130 ALA CA C 130 55.000 55.000 55.127 -0.127 18788 11909 1 16 . 1 1 130 130 ALA CB C 130 17.600 17.600 17.862 -0.262 18788 11910 1 16 . 1 1 130 130 ALA H H 130 7.950 7.950 7.565 0.385 18788 11911 1 16 . 1 1 131 131 GLN N N 131 118.600 118.600 118.878 -0.278 18788 11912 1 16 . 1 1 131 131 GLN HA H 131 3.990 3.990 4.009 -0.019 18788 11913 1 16 . 1 1 131 131 GLN C C 131 177.200 177.200 178.324 -1.124 18788 11914 1 16 . 1 1 131 131 GLN CA C 131 58.800 58.800 58.578 0.222 18788 11915 1 16 . 1 1 131 131 GLN CB C 131 28.000 28.000 28.524 -0.524 18788 11916 1 16 . 1 1 131 131 GLN H H 131 7.520 7.520 8.202 -0.682 18788 11917 1 16 . 1 1 132 132 ALA N N 132 123.100 123.100 121.889 1.211 18788 11918 1 16 . 1 1 132 132 ALA HA H 132 3.930 3.930 4.143 -0.213 18788 11919 1 16 . 1 1 132 132 ALA C C 132 179.500 179.500 179.708 -0.208 18788 11920 1 16 . 1 1 132 132 ALA CA C 132 55.600 55.600 55.086 0.514 18788 11921 1 16 . 1 1 132 132 ALA CB C 132 18.400 18.400 18.699 -0.299 18788 11922 1 16 . 1 1 132 132 ALA H H 132 8.000 8.000 8.071 -0.071 18788 11923 1 16 . 1 1 133 133 LYS N N 133 117.200 117.200 117.384 -0.184 18788 11924 1 16 . 1 1 133 133 LYS HA H 133 3.450 3.450 3.424 0.026 18788 11925 1 16 . 1 1 133 133 LYS C C 133 180.800 180.800 178.828 1.972 18788 11926 1 16 . 1 1 133 133 LYS CA C 133 59.500 59.500 58.968 0.533 18788 11927 1 16 . 1 1 133 133 LYS CB C 133 32.200 32.200 32.089 0.111 18788 11928 1 16 . 1 1 133 133 LYS H H 133 8.170 8.170 8.042 0.128 18788 11929 1 16 . 1 1 134 134 LYS N N 134 122.600 122.600 117.418 5.182 18788 11930 1 16 . 1 1 134 134 LYS HA H 134 3.960 3.960 4.156 -0.196 18788 11931 1 16 . 1 1 134 134 LYS C C 134 178.700 178.700 178.236 0.464 18788 11932 1 16 . 1 1 134 134 LYS CA C 134 59.200 59.200 58.140 1.060 18788 11933 1 16 . 1 1 134 134 LYS CB C 134 32.200 32.200 31.809 0.391 18788 11934 1 16 . 1 1 134 134 LYS H H 134 7.830 7.830 7.631 0.199 18788 11935 1 16 . 1 1 135 135 GLU N N 135 116.500 116.500 117.995 -1.495 18788 11936 1 16 . 1 1 135 135 GLU HA H 135 4.030 4.030 4.331 -0.301 18788 11937 1 16 . 1 1 135 135 GLU C C 135 174.500 174.500 175.731 -1.231 18788 11938 1 16 . 1 1 135 135 GLU CA C 135 56.700 56.700 56.604 0.096 18788 11939 1 16 . 1 1 135 135 GLU CB C 135 29.700 29.700 29.875 -0.175 18788 11940 1 16 . 1 1 135 135 GLU H H 135 7.680 7.680 7.484 0.196 18788 11941 1 16 . 1 1 136 136 LYS N N 136 116.800 116.800 116.785 0.015 18788 11942 1 16 . 1 1 136 136 LYS HA H 136 3.540 3.540 4.014 -0.474 18788 11943 1 16 . 1 1 136 136 LYS C C 136 175.000 175.000 175.926 -0.926 18788 11944 1 16 . 1 1 136 136 LYS CA C 136 56.800 56.800 56.833 -0.033 18788 11945 1 16 . 1 1 136 136 LYS CB C 136 28.800 28.800 29.502 -0.702 18788 11946 1 16 . 1 1 136 136 LYS H H 136 7.820 7.820 7.660 0.160 18788 11947 1 16 . 1 1 137 137 LEU N N 137 117.000 117.000 118.749 -1.749 18788 11948 1 16 . 1 1 137 137 LEU HA H 137 4.190 4.190 4.233 -0.043 18788 11949 1 16 . 1 1 137 137 LEU C C 137 178.500 178.500 178.350 0.150 18788 11950 1 16 . 1 1 137 137 LEU CA C 137 55.000 55.000 54.976 0.024 18788 11951 1 16 . 1 1 137 137 LEU CB C 137 44.000 44.000 42.692 1.308 18788 11952 1 16 . 1 1 137 137 LEU H H 137 7.650 7.650 7.882 -0.232 18788 11953 1 16 . 1 1 138 138 ASN N N 138 118.700 118.700 118.595 0.105 18788 11954 1 16 . 1 1 138 138 ASN HA H 138 3.730 3.730 4.198 -0.468 18788 11955 1 16 . 1 1 138 138 ASN C C 138 176.300 176.300 177.453 -1.153 18788 11956 1 16 . 1 1 138 138 ASN CA C 138 56.600 56.600 56.642 -0.042 18788 11957 1 16 . 1 1 138 138 ASN CB C 138 38.700 38.700 38.327 0.373 18788 11958 1 16 . 1 1 138 138 ASN H H 138 9.050 9.050 8.572 0.478 18788 11959 1 16 . 1 1 139 139 ILE N N 139 123.800 123.800 117.935 5.865 18788 11960 1 16 . 1 1 139 139 ILE HA H 139 3.380 3.380 3.630 -0.250 18788 11961 1 16 . 1 1 139 139 ILE C C 139 176.700 176.700 175.515 1.185 18788 11962 1 16 . 1 1 139 139 ILE CA C 139 65.700 65.700 62.770 2.930 18788 11963 1 16 . 1 1 139 139 ILE CB C 139 37.000 37.000 37.715 -0.715 18788 11964 1 16 . 1 1 139 139 ILE H H 139 8.350 8.350 7.711 0.639 18788 11965 1 16 . 1 1 140 140 TRP N N 140 119.700 119.700 118.066 1.634 18788 11966 1 16 . 1 1 140 140 TRP HA H 140 4.940 4.940 4.597 0.343 18788 11967 1 16 . 1 1 140 140 TRP C C 140 176.200 176.200 176.762 -0.562 18788 11968 1 16 . 1 1 140 140 TRP CA C 140 54.900 54.900 56.977 -2.076 18788 11969 1 16 . 1 1 140 140 TRP CB C 140 30.000 30.000 29.947 0.053 18788 11970 1 16 . 1 1 140 140 TRP H H 140 7.850 7.850 7.641 0.209 18788 11971 1 16 . 1 1 141 141 SER N N 141 116.100 116.100 114.931 1.169 18788 11972 1 16 . 1 1 141 141 SER HA H 141 4.220 4.220 4.444 -0.224 18788 11973 1 16 . 1 1 141 141 SER C C 141 175.200 175.200 175.218 -0.018 18788 11974 1 16 . 1 1 141 141 SER CA C 141 59.800 59.800 60.289 -0.489 18788 11975 1 16 . 1 1 141 141 SER CB C 141 64.600 64.600 63.755 0.845 18788 11976 1 16 . 1 1 141 141 SER H H 141 8.080 8.080 7.961 0.119 18788 11977 1 16 . 1 1 142 142 GLU N N 142 121.200 121.200 119.884 1.316 18788 11978 1 16 . 1 1 142 142 GLU HA H 142 4.430 4.430 4.511 -0.081 18788 11979 1 16 . 1 1 142 142 GLU C C 142 176.200 176.200 174.842 1.358 18788 11980 1 16 . 1 1 142 142 GLU CA C 142 56.100 56.100 56.272 -0.172 18788 11981 1 16 . 1 1 142 142 GLU CB C 142 30.500 30.500 30.049 0.451 18788 11982 1 16 . 1 1 142 142 GLU H H 142 8.020 8.020 8.474 -0.454 18788 11983 1 16 . 1 1 143 143 ASP N N 143 121.400 121.400 121.987 -0.587 18788 11984 1 16 . 1 1 143 143 ASP HA H 143 4.620 4.620 4.698 -0.078 18788 11985 1 16 . 1 1 143 143 ASP C C 143 176.100 176.100 174.878 1.222 18788 11986 1 16 . 1 1 143 143 ASP CA C 143 54.800 54.800 54.407 0.393 18788 11987 1 16 . 1 1 143 143 ASP CB C 143 41.200 41.200 42.029 -0.829 18788 11988 1 16 . 1 1 143 143 ASP H H 143 8.370 8.370 8.165 0.205 18788 11989 1 16 . 1 1 144 144 ASN N N 144 119.300 119.300 118.749 0.551 18788 11990 1 16 . 1 1 144 144 ASN HA H 144 4.760 4.760 4.756 0.004 18788 11991 1 16 . 1 1 144 144 ASN C C 144 175.200 175.200 175.526 -0.326 18788 11992 1 16 . 1 1 144 144 ASN CA C 144 53.200 53.200 53.272 -0.072 18788 11993 1 16 . 1 1 144 144 ASN CB C 144 39.000 39.000 39.900 -0.900 18788 11994 1 16 . 1 1 144 144 ASN H H 144 8.400 8.400 8.636 -0.236 18788 11995 1 16 . 1 1 145 145 ALA N N 145 124.300 124.300 123.348 0.952 18788 11996 1 16 . 1 1 145 145 ALA HA H 145 4.310 4.310 3.835 0.475 18788 11997 1 16 . 1 1 145 145 ALA C C 145 177.700 177.700 175.612 2.088 18788 11998 1 16 . 1 1 145 145 ALA CA C 145 53.300 53.300 53.141 0.159 18788 11999 1 16 . 1 1 145 145 ALA CB C 145 19.200 19.200 16.950 2.250 18788 12000 1 16 . 1 1 145 145 ALA H H 145 8.240 8.240 8.868 -0.628 18788 12001 1 16 . 1 1 146 146 ASP N N 146 119.200 119.200 116.189 3.011 18788 12002 1 16 . 1 1 146 146 ASP HA H 146 4.670 4.670 4.579 0.091 18788 12003 1 16 . 1 1 146 146 ASP C C 146 176.400 176.400 175.680 0.720 18788 12004 1 16 . 1 1 146 146 ASP CA C 146 54.400 54.400 53.653 0.747 18788 12005 1 16 . 1 1 146 146 ASP CB C 146 41.200 41.200 42.392 -1.192 18788 12006 1 16 . 1 1 146 146 ASP H H 146 8.340 8.340 7.954 0.386 18788 12007 1 16 . 1 1 147 147 SER N N 147 116.100 116.100 115.244 0.856 18788 12008 1 16 . 1 1 147 147 SER HA H 147 4.450 4.450 4.633 -0.183 18788 12009 1 16 . 1 1 147 147 SER C C 147 175.200 175.200 175.062 0.138 18788 12010 1 16 . 1 1 147 147 SER CA C 147 58.900 58.900 57.303 1.597 18788 12011 1 16 . 1 1 147 147 SER CB C 147 64.100 64.100 63.540 0.560 18788 12012 1 16 . 1 1 147 147 SER H H 147 8.220 8.220 8.441 -0.221 18788 12013 1 16 . 1 1 148 148 GLY N N 148 111.200 111.200 113.592 -2.392 18788 12014 1 16 . 1 1 148 148 GLY C C 148 173.400 173.400 173.184 0.216 18788 12015 1 16 . 1 1 148 148 GLY CA C 148 45.500 45.500 45.457 0.043 18788 12016 1 16 . 1 1 148 148 GLY H H 148 8.470 8.470 8.875 -0.405 18788 12017 1 17 . 1 1 2 2 THR N N 2 120.300 120.300 115.660 4.640 18788 12018 1 17 . 1 1 2 2 THR HA H 2 4.430 4.430 4.205 0.225 18788 12019 1 17 . 1 1 2 2 THR C C 2 174.400 174.400 173.407 0.993 18788 12020 1 17 . 1 1 2 2 THR CA C 2 62.100 62.100 62.877 -0.777 18788 12021 1 17 . 1 1 2 2 THR CB C 2 69.900 69.900 68.334 1.566 18788 12022 1 17 . 1 1 2 2 THR H H 2 8.320 8.320 8.280 0.040 18788 12023 1 17 . 1 1 3 3 SER N N 3 118.700 118.700 119.399 -0.699 18788 12024 1 17 . 1 1 3 3 SER HA H 3 5.000 5.000 4.622 0.378 18788 12025 1 17 . 1 1 3 3 SER CA C 3 58.400 58.400 57.719 0.681 18788 12026 1 17 . 1 1 3 3 SER CB C 3 68.800 68.800 65.324 3.476 18788 12027 1 17 . 1 1 3 3 SER H H 3 8.520 8.520 8.172 0.348 18788 12028 1 17 . 1 1 4 4 THR HA H 4 4.380 4.380 4.613 -0.233 18788 12029 1 17 . 1 1 4 4 THR C C 4 174.400 174.400 174.803 -0.403 18788 12030 1 17 . 1 1 4 4 THR CA C 4 62.000 62.000 62.011 -0.011 18788 12031 1 17 . 1 1 4 4 THR CB C 4 69.700 69.700 68.891 0.808 18788 12032 1 17 . 1 1 5 5 LYS N N 5 124.000 124.000 125.306 -1.306 18788 12033 1 17 . 1 1 5 5 LYS HA H 5 4.370 4.370 4.352 0.018 18788 12034 1 17 . 1 1 5 5 LYS C C 5 176.100 176.100 176.608 -0.508 18788 12035 1 17 . 1 1 5 5 LYS CA C 5 56.500 56.500 57.163 -0.663 18788 12036 1 17 . 1 1 5 5 LYS CB C 5 32.900 32.900 33.006 -0.106 18788 12037 1 17 . 1 1 5 5 LYS H H 5 8.320 8.320 8.643 -0.323 18788 12038 1 17 . 1 1 6 6 LYS N N 6 122.500 122.500 120.701 1.799 18788 12039 1 17 . 1 1 6 6 LYS HA H 6 4.400 4.400 4.442 -0.042 18788 12040 1 17 . 1 1 6 6 LYS C C 6 176.200 176.200 175.206 0.994 18788 12041 1 17 . 1 1 6 6 LYS CA C 6 55.900 55.900 55.227 0.673 18788 12042 1 17 . 1 1 6 6 LYS CB C 6 33.600 33.600 33.411 0.189 18788 12043 1 17 . 1 1 6 6 LYS H H 6 8.220 8.220 8.061 0.159 18788 12044 1 17 . 1 1 7 7 LEU N N 7 122.200 122.200 118.283 3.917 18788 12045 1 17 . 1 1 7 7 LEU HA H 7 4.550 4.550 4.164 0.386 18788 12046 1 17 . 1 1 7 7 LEU C C 7 176.600 176.600 176.059 0.541 18788 12047 1 17 . 1 1 7 7 LEU CA C 7 54.800 54.800 56.342 -1.542 18788 12048 1 17 . 1 1 7 7 LEU CB C 7 41.500 41.500 42.093 -0.593 18788 12049 1 17 . 1 1 7 7 LEU H H 7 8.340 8.340 8.590 -0.250 18788 12050 1 17 . 1 1 8 8 HIS N N 8 119.200 119.200 110.791 8.409 18788 12051 1 17 . 1 1 8 8 HIS HA H 8 4.990 4.990 4.872 0.118 18788 12052 1 17 . 1 1 8 8 HIS C C 8 173.700 173.700 174.202 -0.502 18788 12053 1 17 . 1 1 8 8 HIS CA C 8 55.300 55.300 54.308 0.992 18788 12054 1 17 . 1 1 8 8 HIS CB C 8 32.200 32.200 32.029 0.171 18788 12055 1 17 . 1 1 8 8 HIS H H 8 8.860 8.860 8.091 0.769 18788 12056 1 17 . 1 1 9 9 LYS N N 9 124.000 124.000 125.122 -1.122 18788 12057 1 17 . 1 1 9 9 LYS HA H 9 4.840 4.840 4.711 0.129 18788 12058 1 17 . 1 1 9 9 LYS C C 9 176.400 176.400 176.105 0.295 18788 12059 1 17 . 1 1 9 9 LYS CA C 9 55.700 55.700 55.643 0.057 18788 12060 1 17 . 1 1 9 9 LYS CB C 9 34.700 34.700 33.284 1.416 18788 12061 1 17 . 1 1 9 9 LYS H H 9 8.480 8.480 8.635 -0.155 18788 12062 1 17 . 1 1 10 10 GLU N N 10 123.100 123.100 123.925 -0.825 18788 12063 1 17 . 1 1 10 10 GLU HA H 10 5.060 5.060 5.037 0.023 18788 12064 1 17 . 1 1 10 10 GLU C C 10 173.200 173.200 174.523 -1.323 18788 12065 1 17 . 1 1 10 10 GLU CA C 10 53.400 53.400 53.135 0.265 18788 12066 1 17 . 1 1 10 10 GLU CB C 10 33.000 33.000 31.235 1.765 18788 12067 1 17 . 1 1 10 10 GLU H H 10 9.390 9.390 9.002 0.388 18788 12068 1 17 . 1 1 11 11 PRO HA H 11 4.900 4.900 4.838 0.062 18788 12069 1 17 . 1 1 11 11 PRO C C 11 175.400 175.400 175.480 -0.080 18788 12070 1 17 . 1 1 11 11 PRO CA C 11 63.100 63.100 62.834 0.266 18788 12071 1 17 . 1 1 11 11 PRO CB C 11 33.000 33.000 32.342 0.658 18788 12072 1 17 . 1 1 12 12 ALA N N 12 119.700 119.700 124.585 -4.885 18788 12073 1 17 . 1 1 12 12 ALA HA H 12 4.990 4.990 5.307 -0.317 18788 12074 1 17 . 1 1 12 12 ALA C C 12 175.400 175.400 175.632 -0.232 18788 12075 1 17 . 1 1 12 12 ALA CA C 12 51.600 51.600 50.618 0.982 18788 12076 1 17 . 1 1 12 12 ALA CB C 12 24.600 24.600 23.387 1.213 18788 12077 1 17 . 1 1 12 12 ALA H H 12 8.070 8.070 8.882 -0.812 18788 12078 1 17 . 1 1 13 13 THR N N 13 109.100 109.100 114.230 -5.130 18788 12079 1 17 . 1 1 13 13 THR HA H 13 4.700 4.700 4.733 -0.033 18788 12080 1 17 . 1 1 13 13 THR C C 13 174.000 174.000 173.097 0.903 18788 12081 1 17 . 1 1 13 13 THR CA C 13 60.700 60.700 61.562 -0.862 18788 12082 1 17 . 1 1 13 13 THR CB C 13 71.600 71.600 72.496 -0.896 18788 12083 1 17 . 1 1 13 13 THR H H 13 8.090 8.090 8.145 -0.055 18788 12084 1 17 . 1 1 14 14 LEU N N 14 125.200 125.200 127.686 -2.486 18788 12085 1 17 . 1 1 14 14 LEU HA H 14 4.140 4.140 4.240 -0.100 18788 12086 1 17 . 1 1 14 14 LEU C C 14 176.700 176.700 175.780 0.920 18788 12087 1 17 . 1 1 14 14 LEU CA C 14 56.800 56.800 55.843 0.957 18788 12088 1 17 . 1 1 14 14 LEU CB C 14 42.900 42.900 42.963 -0.063 18788 12089 1 17 . 1 1 14 14 LEU H H 14 9.150 9.150 8.871 0.279 18788 12090 1 17 . 1 1 15 15 ILE N N 15 125.200 125.200 123.889 1.311 18788 12091 1 17 . 1 1 15 15 ILE HA H 15 4.220 4.220 4.322 -0.102 18788 12092 1 17 . 1 1 15 15 ILE C C 15 175.900 175.900 176.074 -0.174 18788 12093 1 17 . 1 1 15 15 ILE CA C 15 64.300 64.300 62.521 1.779 18788 12094 1 17 . 1 1 15 15 ILE CB C 15 38.700 38.700 39.695 -0.995 18788 12095 1 17 . 1 1 15 15 ILE H H 15 8.460 8.460 8.626 -0.166 18788 12096 1 17 . 1 1 16 16 LYS N N 16 114.100 114.100 119.036 -4.936 18788 12097 1 17 . 1 1 16 16 LYS HA H 16 4.460 4.460 4.614 -0.154 18788 12098 1 17 . 1 1 16 16 LYS C C 16 174.000 174.000 174.193 -0.193 18788 12099 1 17 . 1 1 16 16 LYS CA C 16 56.600 56.600 54.818 1.782 18788 12100 1 17 . 1 1 16 16 LYS CB C 16 35.300 35.300 36.438 -1.138 18788 12101 1 17 . 1 1 16 16 LYS H H 16 8.050 8.050 8.405 -0.355 18788 12102 1 17 . 1 1 17 17 ALA N N 17 129.100 129.100 127.821 1.279 18788 12103 1 17 . 1 1 17 17 ALA HA H 17 4.480 4.480 4.465 0.015 18788 12104 1 17 . 1 1 17 17 ALA C C 17 175.700 175.700 176.621 -0.921 18788 12105 1 17 . 1 1 17 17 ALA CA C 17 52.300 52.300 51.800 0.500 18788 12106 1 17 . 1 1 17 17 ALA CB C 17 18.200 18.200 19.067 -0.867 18788 12107 1 17 . 1 1 17 17 ALA H H 17 9.470 9.470 8.754 0.716 18788 12108 1 17 . 1 1 18 18 ILE N N 18 123.500 123.500 124.837 -1.337 18788 12109 1 17 . 1 1 18 18 ILE HA H 18 4.110 4.110 4.306 -0.196 18788 12110 1 17 . 1 1 18 18 ILE C C 18 175.100 175.100 176.726 -1.626 18788 12111 1 17 . 1 1 18 18 ILE CA C 18 63.200 63.200 61.669 1.531 18788 12112 1 17 . 1 1 18 18 ILE CB C 18 37.800 37.800 38.570 -0.770 18788 12113 1 17 . 1 1 18 18 ILE H H 18 8.070 8.070 8.542 -0.472 18788 12114 1 17 . 1 1 19 19 ASP N N 19 120.500 120.500 116.552 3.948 18788 12115 1 17 . 1 1 19 19 ASP HA H 19 4.730 4.730 4.857 -0.127 18788 12116 1 17 . 1 1 19 19 ASP C C 19 176.800 176.800 177.250 -0.450 18788 12117 1 17 . 1 1 19 19 ASP CA C 19 53.400 53.400 53.619 -0.219 18788 12118 1 17 . 1 1 19 19 ASP CB C 19 40.100 40.100 43.043 -2.943 18788 12119 1 17 . 1 1 19 19 ASP H H 19 8.290 8.290 8.065 0.225 18788 12120 1 17 . 1 1 20 20 GLY N N 20 103.500 103.500 107.189 -3.689 18788 12121 1 17 . 1 1 20 20 GLY C C 20 173.300 173.300 174.961 -1.661 18788 12122 1 17 . 1 1 20 20 GLY CA C 20 47.700 47.700 47.466 0.234 18788 12123 1 17 . 1 1 20 20 GLY H H 20 8.460 8.460 8.618 -0.158 18788 12124 1 17 . 1 1 21 21 ASP N N 21 111.200 111.200 116.719 -5.519 18788 12125 1 17 . 1 1 21 21 ASP HA H 21 4.850 4.850 4.687 0.163 18788 12126 1 17 . 1 1 21 21 ASP C C 21 175.300 175.300 174.953 0.347 18788 12127 1 17 . 1 1 21 21 ASP CA C 21 52.100 52.100 53.533 -1.433 18788 12128 1 17 . 1 1 21 21 ASP CB C 21 40.600 40.600 40.951 -0.351 18788 12129 1 17 . 1 1 21 21 ASP H H 21 7.640 7.640 7.935 -0.295 18788 12130 1 17 . 1 1 22 22 THR N N 22 113.200 113.200 114.511 -1.311 18788 12131 1 17 . 1 1 22 22 THR HA H 22 5.700 5.700 5.553 0.147 18788 12132 1 17 . 1 1 22 22 THR C C 22 174.000 174.000 172.981 1.019 18788 12133 1 17 . 1 1 22 22 THR CA C 22 61.000 61.000 61.790 -0.790 18788 12134 1 17 . 1 1 22 22 THR CB C 22 71.800 71.800 71.469 0.331 18788 12135 1 17 . 1 1 22 22 THR H H 22 7.610 7.610 7.401 0.209 18788 12136 1 17 . 1 1 23 23 VAL N N 23 118.000 118.000 118.930 -0.930 18788 12137 1 17 . 1 1 23 23 VAL HA H 23 4.620 4.620 4.849 -0.229 18788 12138 1 17 . 1 1 23 23 VAL C C 23 172.100 172.100 173.055 -0.955 18788 12139 1 17 . 1 1 23 23 VAL CA C 23 60.100 60.100 59.499 0.601 18788 12140 1 17 . 1 1 23 23 VAL CB C 23 36.200 36.200 35.575 0.625 18788 12141 1 17 . 1 1 23 23 VAL H H 23 8.910 8.910 9.243 -0.333 18788 12142 1 17 . 1 1 24 24 LYS N N 24 127.000 127.000 122.412 4.588 18788 12143 1 17 . 1 1 24 24 LYS HA H 24 5.440 5.440 5.433 0.007 18788 12144 1 17 . 1 1 24 24 LYS C C 24 175.200 175.200 174.903 0.297 18788 12145 1 17 . 1 1 24 24 LYS CA C 24 55.600 55.600 55.050 0.550 18788 12146 1 17 . 1 1 24 24 LYS CB C 24 34.400 34.400 35.198 -0.798 18788 12147 1 17 . 1 1 24 24 LYS H H 24 9.470 9.470 9.043 0.427 18788 12148 1 17 . 1 1 25 25 LEU N N 25 127.000 127.000 122.611 4.389 18788 12149 1 17 . 1 1 25 25 LEU HA H 25 5.210 5.210 5.015 0.195 18788 12150 1 17 . 1 1 25 25 LEU C C 25 174.500 174.500 174.745 -0.245 18788 12151 1 17 . 1 1 25 25 LEU CA C 25 53.100 53.100 53.079 0.021 18788 12152 1 17 . 1 1 25 25 LEU CB C 25 45.500 45.500 45.312 0.188 18788 12153 1 17 . 1 1 25 25 LEU H H 25 9.380 9.380 9.408 -0.028 18788 12154 1 17 . 1 1 26 26 MET N N 26 122.000 122.000 119.969 2.031 18788 12155 1 17 . 1 1 26 26 MET HA H 26 4.880 4.880 4.911 -0.031 18788 12156 1 17 . 1 1 26 26 MET C C 26 175.100 175.100 174.527 0.573 18788 12157 1 17 . 1 1 26 26 MET CA C 26 54.700 54.700 55.361 -0.661 18788 12158 1 17 . 1 1 26 26 MET CB C 26 31.400 31.400 33.314 -1.914 18788 12159 1 17 . 1 1 26 26 MET H H 26 9.530 9.530 8.973 0.557 18788 12160 1 17 . 1 1 27 27 TYR N N 27 129.600 129.600 130.201 -0.601 18788 12161 1 17 . 1 1 27 27 TYR HA H 27 5.050 5.050 4.862 0.188 18788 12162 1 17 . 1 1 27 27 TYR C C 27 173.900 173.900 175.020 -1.120 18788 12163 1 17 . 1 1 27 27 TYR CA C 27 57.000 57.000 56.648 0.352 18788 12164 1 17 . 1 1 27 27 TYR CB C 27 41.700 41.700 38.895 2.805 18788 12165 1 17 . 1 1 27 27 TYR H H 27 9.040 9.040 9.481 -0.441 18788 12166 1 17 . 1 1 28 28 LYS N N 28 127.600 127.600 127.523 0.077 18788 12167 1 17 . 1 1 28 28 LYS HA H 28 3.590 3.590 3.757 -0.167 18788 12168 1 17 . 1 1 28 28 LYS C C 28 176.900 176.900 176.055 0.845 18788 12169 1 17 . 1 1 28 28 LYS CA C 28 57.100 57.100 56.911 0.189 18788 12170 1 17 . 1 1 28 28 LYS CB C 28 29.700 29.700 30.256 -0.556 18788 12171 1 17 . 1 1 28 28 LYS H H 28 9.310 9.310 9.008 0.302 18788 12172 1 17 . 1 1 29 29 GLY N N 29 102.400 102.400 103.499 -1.099 18788 12173 1 17 . 1 1 29 29 GLY C C 29 173.600 173.600 173.447 0.153 18788 12174 1 17 . 1 1 29 29 GLY CA C 29 45.600 45.600 45.074 0.526 18788 12175 1 17 . 1 1 29 29 GLY H H 29 8.450 8.450 8.305 0.145 18788 12176 1 17 . 1 1 30 30 GLN N N 30 119.300 119.300 118.818 0.482 18788 12177 1 17 . 1 1 30 30 GLN HA H 30 5.030 5.030 4.891 0.139 18788 12178 1 17 . 1 1 30 30 GLN C C 30 173.200 173.200 173.254 -0.054 18788 12179 1 17 . 1 1 30 30 GLN CA C 30 52.200 52.200 52.028 0.172 18788 12180 1 17 . 1 1 30 30 GLN CB C 30 31.200 31.200 29.902 1.298 18788 12181 1 17 . 1 1 30 30 GLN H H 30 7.820 7.820 7.837 -0.017 18788 12182 1 17 . 1 1 31 31 PRO HA H 31 4.880 4.880 4.946 -0.066 18788 12183 1 17 . 1 1 31 31 PRO C C 31 177.400 177.400 175.918 1.482 18788 12184 1 17 . 1 1 31 31 PRO CA C 31 62.600 62.600 63.057 -0.457 18788 12185 1 17 . 1 1 31 31 PRO CB C 31 31.900 31.900 31.705 0.195 18788 12186 1 17 . 1 1 32 32 MET N N 32 125.700 125.700 125.832 -0.132 18788 12187 1 17 . 1 1 32 32 MET HA H 32 4.670 4.670 4.929 -0.259 18788 12188 1 17 . 1 1 32 32 MET C C 32 174.600 174.600 174.242 0.358 18788 12189 1 17 . 1 1 32 32 MET CA C 32 55.800 55.800 54.593 1.207 18788 12190 1 17 . 1 1 32 32 MET CB C 32 37.200 37.200 37.527 -0.327 18788 12191 1 17 . 1 1 32 32 MET H H 32 9.570 9.570 9.389 0.181 18788 12192 1 17 . 1 1 33 33 THR N N 33 123.600 123.600 121.347 2.253 18788 12193 1 17 . 1 1 33 33 THR HA H 33 4.510 4.510 5.029 -0.519 18788 12194 1 17 . 1 1 33 33 THR C C 33 173.100 173.100 173.815 -0.715 18788 12195 1 17 . 1 1 33 33 THR CA C 33 64.300 64.300 62.816 1.484 18788 12196 1 17 . 1 1 33 33 THR CB C 33 68.800 68.800 69.288 -0.488 18788 12197 1 17 . 1 1 33 33 THR H H 33 8.990 8.990 8.483 0.507 18788 12198 1 17 . 1 1 34 34 PHE N N 34 126.100 126.100 125.828 0.272 18788 12199 1 17 . 1 1 34 34 PHE HA H 34 4.890 4.890 5.513 -0.623 18788 12200 1 17 . 1 1 34 34 PHE C C 34 173.400 173.400 174.374 -0.974 18788 12201 1 17 . 1 1 34 34 PHE CA C 34 57.300 57.300 56.868 0.432 18788 12202 1 17 . 1 1 34 34 PHE CB C 34 41.900 41.900 43.328 -1.428 18788 12203 1 17 . 1 1 34 34 PHE H H 34 9.610 9.610 9.545 0.065 18788 12204 1 17 . 1 1 35 35 ARG N N 35 124.200 124.200 121.022 3.178 18788 12205 1 17 . 1 1 35 35 ARG HA H 35 5.080 5.080 5.602 -0.522 18788 12206 1 17 . 1 1 35 35 ARG C C 35 174.600 174.600 173.796 0.804 18788 12207 1 17 . 1 1 35 35 ARG CA C 35 52.100 52.100 54.672 -2.572 18788 12208 1 17 . 1 1 35 35 ARG CB C 35 33.600 33.600 35.456 -1.857 18788 12209 1 17 . 1 1 35 35 ARG H H 35 9.640 9.640 9.350 0.290 18788 12210 1 17 . 1 1 38 38 LEU HA H 38 4.330 4.330 4.271 0.059 18788 12211 1 17 . 1 1 38 38 LEU C C 38 175.200 175.200 176.804 -1.604 18788 12212 1 17 . 1 1 38 38 LEU CA C 38 56.600 56.600 55.998 0.601 18788 12213 1 17 . 1 1 38 38 LEU CB C 38 40.100 40.100 41.587 -1.487 18788 12214 1 17 . 1 1 39 39 VAL N N 39 104.500 104.500 110.161 -5.661 18788 12215 1 17 . 1 1 39 39 VAL HA H 39 5.580 5.580 5.020 0.560 18788 12216 1 17 . 1 1 39 39 VAL C C 39 175.600 175.600 174.717 0.883 18788 12217 1 17 . 1 1 39 39 VAL CA C 39 57.800 57.800 58.955 -1.155 18788 12218 1 17 . 1 1 39 39 VAL CB C 39 36.400 36.400 35.394 1.006 18788 12219 1 17 . 1 1 39 39 VAL H H 39 6.920 6.920 7.081 -0.161 18788 12220 1 17 . 1 1 40 40 ASP N N 40 121.500 121.500 124.967 -3.467 18788 12221 1 17 . 1 1 40 40 ASP HA H 40 5.260 5.260 5.011 0.249 18788 12222 1 17 . 1 1 40 40 ASP C C 40 174.600 174.600 175.534 -0.934 18788 12223 1 17 . 1 1 40 40 ASP CA C 40 54.100 54.100 52.986 1.114 18788 12224 1 17 . 1 1 40 40 ASP CB C 40 44.100 44.100 43.894 0.206 18788 12225 1 17 . 1 1 40 40 ASP H H 40 8.880 8.880 9.107 -0.227 18788 12226 1 17 . 1 1 41 41 THR N N 41 118.700 118.700 116.886 1.814 18788 12227 1 17 . 1 1 41 41 THR HA H 41 5.020 5.020 5.007 0.013 18788 12228 1 17 . 1 1 41 41 THR CA C 41 58.300 58.300 58.323 -0.023 18788 12229 1 17 . 1 1 41 41 THR CB C 41 68.900 68.900 69.595 -0.695 18788 12230 1 17 . 1 1 41 41 THR H H 41 8.520 8.520 8.714 -0.194 18788 12231 1 17 . 1 1 42 42 PRO HA H 42 4.440 4.440 4.607 -0.167 18788 12232 1 17 . 1 1 42 42 PRO CA C 42 62.200 62.200 62.309 -0.109 18788 12233 1 17 . 1 1 42 42 PRO CB C 42 32.300 32.300 29.813 2.487 18788 12234 1 17 . 1 1 50 50 GLY C C 50 179.800 179.800 173.905 5.895 18788 12235 1 17 . 1 1 51 51 VAL N N 51 119.200 119.200 114.708 4.492 18788 12236 1 17 . 1 1 51 51 VAL HA H 51 4.160 4.160 4.608 -0.448 18788 12237 1 17 . 1 1 51 51 VAL C C 51 178.600 178.600 173.766 4.834 18788 12238 1 17 . 1 1 51 51 VAL CA C 51 63.500 63.500 59.217 4.283 18788 12239 1 17 . 1 1 51 51 VAL H H 51 7.820 7.820 7.304 0.516 18788 12240 1 17 . 1 1 54 54 TYR C C 54 176.300 176.300 175.106 1.194 18788 12241 1 17 . 1 1 55 55 GLY N N 55 108.900 108.900 105.748 3.152 18788 12242 1 17 . 1 1 55 55 GLY C C 55 174.300 174.300 172.131 2.169 18788 12243 1 17 . 1 1 55 55 GLY CA C 55 48.400 48.400 42.818 5.582 18788 12244 1 17 . 1 1 55 55 GLY H H 55 8.810 8.810 7.677 1.133 18788 12245 1 17 . 1 1 57 57 GLU HA H 57 4.010 4.010 4.275 -0.265 18788 12246 1 17 . 1 1 57 57 GLU C C 57 179.500 179.500 176.414 3.086 18788 12247 1 17 . 1 1 57 57 GLU CA C 57 61.700 61.700 54.565 7.135 18788 12248 1 17 . 1 1 58 58 ALA N N 58 125.000 125.000 123.610 1.390 18788 12249 1 17 . 1 1 58 58 ALA HA H 58 4.170 4.170 3.929 0.241 18788 12250 1 17 . 1 1 58 58 ALA C C 58 178.700 178.700 179.098 -0.398 18788 12251 1 17 . 1 1 58 58 ALA CA C 58 55.800 55.800 56.010 -0.210 18788 12252 1 17 . 1 1 58 58 ALA CB C 58 18.200 18.200 18.153 0.047 18788 12253 1 17 . 1 1 58 58 ALA H H 58 8.940 8.940 7.577 1.363 18788 12254 1 17 . 1 1 59 59 SER N N 59 111.900 111.900 114.497 -2.597 18788 12255 1 17 . 1 1 59 59 SER HA H 59 3.740 3.740 4.332 -0.592 18788 12256 1 17 . 1 1 59 59 SER C C 59 177.100 177.100 176.671 0.429 18788 12257 1 17 . 1 1 59 59 SER CA C 59 62.000 62.000 61.002 0.998 18788 12258 1 17 . 1 1 59 59 SER CB C 59 62.900 62.900 62.401 0.499 18788 12259 1 17 . 1 1 59 59 SER H H 59 8.340 8.340 8.646 -0.306 18788 12260 1 17 . 1 1 60 60 ALA N N 60 122.900 122.900 124.177 -1.277 18788 12261 1 17 . 1 1 60 60 ALA HA H 60 4.070 4.070 4.223 -0.153 18788 12262 1 17 . 1 1 60 60 ALA C C 60 179.100 179.100 179.609 -0.509 18788 12263 1 17 . 1 1 60 60 ALA CA C 60 55.100 55.100 54.737 0.363 18788 12264 1 17 . 1 1 60 60 ALA CB C 60 18.200 18.200 18.042 0.158 18788 12265 1 17 . 1 1 60 60 ALA H H 60 8.440 8.440 7.539 0.901 18788 12266 1 17 . 1 1 61 61 PHE N N 61 121.700 121.700 120.193 1.507 18788 12267 1 17 . 1 1 61 61 PHE HA H 61 4.050 4.050 4.157 -0.107 18788 12268 1 17 . 1 1 61 61 PHE C C 61 178.100 178.100 177.575 0.525 18788 12269 1 17 . 1 1 61 61 PHE CA C 61 61.800 61.800 61.773 0.027 18788 12270 1 17 . 1 1 61 61 PHE CB C 61 39.800 39.800 39.322 0.478 18788 12271 1 17 . 1 1 61 61 PHE H H 61 8.190 8.190 9.054 -0.864 18788 12272 1 17 . 1 1 62 62 THR N N 62 120.200 120.200 115.762 4.438 18788 12273 1 17 . 1 1 62 62 THR HA H 62 3.560 3.560 3.938 -0.378 18788 12274 1 17 . 1 1 62 62 THR C C 62 175.300 175.300 176.554 -1.254 18788 12275 1 17 . 1 1 62 62 THR CA C 62 67.600 67.600 66.896 0.704 18788 12276 1 17 . 1 1 62 62 THR CB C 62 68.400 68.400 68.419 -0.019 18788 12277 1 17 . 1 1 62 62 THR H H 62 8.540 8.540 8.245 0.295 18788 12278 1 17 . 1 1 63 63 LYS N N 63 120.000 120.000 122.075 -2.075 18788 12279 1 17 . 1 1 63 63 LYS HA H 63 3.560 3.560 3.878 -0.318 18788 12280 1 17 . 1 1 63 63 LYS C C 63 176.800 176.800 178.725 -1.925 18788 12281 1 17 . 1 1 63 63 LYS CA C 63 60.400 60.400 59.917 0.483 18788 12282 1 17 . 1 1 63 63 LYS CB C 63 33.300 33.300 32.506 0.794 18788 12283 1 17 . 1 1 63 63 LYS H H 63 7.910 7.910 8.135 -0.225 18788 12284 1 17 . 1 1 64 64 LYS N N 64 117.200 117.200 118.155 -0.955 18788 12285 1 17 . 1 1 64 64 LYS HA H 64 3.940 3.940 3.985 -0.045 18788 12286 1 17 . 1 1 64 64 LYS C C 64 178.700 178.700 179.359 -0.659 18788 12287 1 17 . 1 1 64 64 LYS CA C 64 59.200 59.200 59.595 -0.395 18788 12288 1 17 . 1 1 64 64 LYS CB C 64 31.900 31.900 32.461 -0.561 18788 12289 1 17 . 1 1 64 64 LYS H H 64 8.000 8.000 8.371 -0.371 18788 12290 1 17 . 1 1 65 65 MET N N 65 116.200 116.200 116.655 -0.455 18788 12291 1 17 . 1 1 65 65 MET HA H 65 3.890 3.890 4.173 -0.283 18788 12292 1 17 . 1 1 65 65 MET C C 65 179.200 179.200 177.774 1.426 18788 12293 1 17 . 1 1 65 65 MET CA C 65 59.800 59.800 58.707 1.093 18788 12294 1 17 . 1 1 65 65 MET CB C 65 32.200 32.200 32.697 -0.497 18788 12295 1 17 . 1 1 65 65 MET H H 65 7.680 7.680 7.722 -0.042 18788 12296 1 17 . 1 1 66 66 VAL N N 66 107.700 107.700 114.083 -6.383 18788 12297 1 17 . 1 1 66 66 VAL HA H 66 4.150 4.150 3.976 0.174 18788 12298 1 17 . 1 1 66 66 VAL C C 66 177.500 177.500 178.670 -1.170 18788 12299 1 17 . 1 1 66 66 VAL CA C 66 64.300 64.300 64.735 -0.435 18788 12300 1 17 . 1 1 66 66 VAL CB C 66 31.100 31.100 31.901 -0.801 18788 12301 1 17 . 1 1 66 66 VAL H H 66 8.220 8.220 7.876 0.344 18788 12302 1 17 . 1 1 67 67 GLU N N 67 121.000 121.000 120.025 0.975 18788 12303 1 17 . 1 1 67 67 GLU HA H 67 3.960 3.960 4.112 -0.152 18788 12304 1 17 . 1 1 67 67 GLU C C 67 178.000 178.000 177.696 0.304 18788 12305 1 17 . 1 1 67 67 GLU CA C 67 59.200 59.200 59.315 -0.115 18788 12306 1 17 . 1 1 67 67 GLU CB C 67 29.100 29.100 29.677 -0.577 18788 12307 1 17 . 1 1 67 67 GLU H H 67 8.750 8.750 8.348 0.402 18788 12308 1 17 . 1 1 68 68 ASN N N 68 113.400 113.400 114.948 -1.548 18788 12309 1 17 . 1 1 68 68 ASN HA H 68 4.660 4.660 4.727 -0.067 18788 12310 1 17 . 1 1 68 68 ASN C C 68 174.600 174.600 174.196 0.404 18788 12311 1 17 . 1 1 68 68 ASN CA C 68 53.400 53.400 53.860 -0.460 18788 12312 1 17 . 1 1 68 68 ASN CB C 68 38.900 38.900 39.291 -0.391 18788 12313 1 17 . 1 1 68 68 ASN H H 68 7.400 7.400 8.041 -0.641 18788 12314 1 17 . 1 1 69 69 ALA N N 69 121.100 121.100 121.224 -0.124 18788 12315 1 17 . 1 1 69 69 ALA HA H 69 4.490 4.490 4.472 0.018 18788 12316 1 17 . 1 1 69 69 ALA C C 69 177.800 177.800 176.790 1.010 18788 12317 1 17 . 1 1 69 69 ALA CA C 69 51.400 51.400 51.245 0.155 18788 12318 1 17 . 1 1 69 69 ALA CB C 69 19.200 19.200 20.356 -1.156 18788 12319 1 17 . 1 1 69 69 ALA H H 69 6.680 6.680 7.085 -0.405 18788 12320 1 17 . 1 1 70 70 LYS N N 70 125.700 125.700 119.580 6.120 18788 12321 1 17 . 1 1 70 70 LYS HA H 70 4.370 4.370 4.393 -0.023 18788 12322 1 17 . 1 1 70 70 LYS C C 70 177.800 177.800 177.316 0.484 18788 12323 1 17 . 1 1 70 70 LYS CA C 70 57.800 57.800 56.621 1.179 18788 12324 1 17 . 1 1 70 70 LYS CB C 70 32.000 32.000 33.608 -1.608 18788 12325 1 17 . 1 1 70 70 LYS H H 70 10.130 10.130 8.407 1.723 18788 12326 1 17 . 1 1 71 71 LYS N N 71 121.300 121.300 120.286 1.014 18788 12327 1 17 . 1 1 71 71 LYS HA H 71 4.660 4.660 4.545 0.115 18788 12328 1 17 . 1 1 71 71 LYS C C 71 174.600 174.600 175.234 -0.634 18788 12329 1 17 . 1 1 71 71 LYS CA C 71 55.500 55.500 55.022 0.478 18788 12330 1 17 . 1 1 71 71 LYS CB C 71 35.400 35.400 31.982 3.418 18788 12331 1 17 . 1 1 71 71 LYS H H 71 8.920 8.920 7.622 1.298 18788 12332 1 17 . 1 1 72 72 ILE N N 72 128.900 128.900 127.152 1.748 18788 12333 1 17 . 1 1 72 72 ILE HA H 72 5.240 5.240 4.910 0.330 18788 12334 1 17 . 1 1 72 72 ILE C C 72 175.300 175.300 175.165 0.135 18788 12335 1 17 . 1 1 72 72 ILE CA C 72 58.700 58.700 60.759 -2.059 18788 12336 1 17 . 1 1 72 72 ILE CB C 72 38.100 38.100 39.288 -1.188 18788 12337 1 17 . 1 1 72 72 ILE H H 72 8.960 8.960 8.356 0.604 18788 12338 1 17 . 1 1 73 73 GLU N N 73 123.100 123.100 125.971 -2.871 18788 12339 1 17 . 1 1 73 73 GLU HA H 73 5.240 5.240 5.412 -0.172 18788 12340 1 17 . 1 1 73 73 GLU C C 73 174.900 174.900 175.570 -0.670 18788 12341 1 17 . 1 1 73 73 GLU CA C 73 53.600 53.600 54.350 -0.750 18788 12342 1 17 . 1 1 73 73 GLU CB C 73 36.200 36.200 33.916 2.284 18788 12343 1 17 . 1 1 73 73 GLU H H 73 8.810 8.810 8.905 -0.095 18788 12344 1 17 . 1 1 74 74 VAL N N 74 117.300 117.300 116.765 0.535 18788 12345 1 17 . 1 1 74 74 VAL HA H 74 4.550 4.550 4.800 -0.250 18788 12346 1 17 . 1 1 74 74 VAL C C 74 174.000 174.000 174.045 -0.045 18788 12347 1 17 . 1 1 74 74 VAL CA C 74 59.500 59.500 59.447 0.053 18788 12348 1 17 . 1 1 74 74 VAL CB C 74 34.200 34.200 33.806 0.394 18788 12349 1 17 . 1 1 74 74 VAL H H 74 9.510 9.510 9.062 0.448 18788 12350 1 17 . 1 1 75 75 GLU N N 75 126.900 126.900 127.350 -0.450 18788 12351 1 17 . 1 1 75 75 GLU HA H 75 5.160 5.160 5.216 -0.056 18788 12352 1 17 . 1 1 75 75 GLU C C 75 175.600 175.600 175.700 -0.100 18788 12353 1 17 . 1 1 75 75 GLU CA C 75 54.500 54.500 53.738 0.762 18788 12354 1 17 . 1 1 75 75 GLU CB C 75 35.900 35.900 32.791 3.110 18788 12355 1 17 . 1 1 75 75 GLU H H 75 8.860 8.860 8.895 -0.035 18788 12356 1 17 . 1 1 76 76 PHE N N 76 126.400 126.400 127.495 -1.095 18788 12357 1 17 . 1 1 76 76 PHE HA H 76 4.740 4.740 5.102 -0.362 18788 12358 1 17 . 1 1 76 76 PHE C C 76 175.600 175.600 176.059 -0.459 18788 12359 1 17 . 1 1 76 76 PHE CA C 76 59.500 59.500 58.572 0.928 18788 12360 1 17 . 1 1 76 76 PHE CB C 76 39.700 39.700 39.829 -0.129 18788 12361 1 17 . 1 1 76 76 PHE H H 76 8.770 8.770 8.307 0.463 18788 12362 1 17 . 1 1 77 77 ASP N N 77 123.000 123.000 123.209 -0.209 18788 12363 1 17 . 1 1 77 77 ASP HA H 77 5.310 5.310 4.684 0.626 18788 12364 1 17 . 1 1 77 77 ASP C C 77 177.600 177.600 176.520 1.080 18788 12365 1 17 . 1 1 77 77 ASP CA C 77 51.800 51.800 54.361 -2.561 18788 12366 1 17 . 1 1 77 77 ASP CB C 77 42.900 42.900 43.234 -0.334 18788 12367 1 17 . 1 1 77 77 ASP H H 77 9.310 9.310 8.707 0.603 18788 12368 1 17 . 1 1 78 78 LYS N N 78 119.100 119.100 120.575 -1.475 18788 12369 1 17 . 1 1 78 78 LYS HA H 78 4.240 4.240 4.337 -0.097 18788 12370 1 17 . 1 1 78 78 LYS C C 78 177.100 177.100 177.273 -0.173 18788 12371 1 17 . 1 1 78 78 LYS CA C 78 57.700 57.700 57.006 0.694 18788 12372 1 17 . 1 1 78 78 LYS CB C 78 33.400 33.400 32.400 1.000 18788 12373 1 17 . 1 1 78 78 LYS H H 78 10.360 10.360 8.468 1.892 18788 12374 1 17 . 1 1 79 79 GLY N N 79 111.100 111.100 109.921 1.179 18788 12375 1 17 . 1 1 79 79 GLY C C 79 173.600 173.600 174.183 -0.583 18788 12376 1 17 . 1 1 79 79 GLY CA C 79 44.500 44.500 44.406 0.094 18788 12377 1 17 . 1 1 79 79 GLY H H 79 8.680 8.680 7.809 0.871 18788 12378 1 17 . 1 1 80 80 GLN N N 80 124.800 124.800 118.142 6.658 18788 12379 1 17 . 1 1 80 80 GLN HA H 80 4.140 4.140 4.366 -0.226 18788 12380 1 17 . 1 1 80 80 GLN C C 80 176.900 176.900 175.261 1.639 18788 12381 1 17 . 1 1 80 80 GLN CA C 80 57.200 57.200 55.974 1.226 18788 12382 1 17 . 1 1 80 80 GLN CB C 80 29.200 29.200 30.171 -0.971 18788 12383 1 17 . 1 1 80 80 GLN H H 80 8.800 8.800 8.628 0.172 18788 12384 1 17 . 1 1 81 81 ARG N N 81 120.700 120.700 118.215 2.485 18788 12385 1 17 . 1 1 81 81 ARG HA H 81 4.620 4.620 4.580 0.040 18788 12386 1 17 . 1 1 81 81 ARG C C 81 176.200 176.200 175.488 0.712 18788 12387 1 17 . 1 1 81 81 ARG CA C 81 57.500 57.500 56.873 0.627 18788 12388 1 17 . 1 1 81 81 ARG CB C 81 32.000 32.000 31.674 0.326 18788 12389 1 17 . 1 1 81 81 ARG H H 81 8.640 8.640 8.696 -0.056 18788 12390 1 17 . 1 1 82 82 THR N N 82 107.900 107.900 109.530 -1.630 18788 12391 1 17 . 1 1 82 82 THR HA H 82 5.540 5.540 5.014 0.526 18788 12392 1 17 . 1 1 82 82 THR C C 82 174.600 174.600 173.369 1.231 18788 12393 1 17 . 1 1 82 82 THR CA C 82 58.400 58.400 59.366 -0.966 18788 12394 1 17 . 1 1 82 82 THR CB C 82 72.500 72.500 72.074 0.426 18788 12395 1 17 . 1 1 82 82 THR H H 82 7.300 7.300 7.312 -0.012 18788 12396 1 17 . 1 1 83 83 ASP N N 83 121.300 121.300 121.893 -0.593 18788 12397 1 17 . 1 1 83 83 ASP HA H 83 4.660 4.660 4.442 0.218 18788 12398 1 17 . 1 1 83 83 ASP C C 83 179.000 179.000 178.119 0.881 18788 12399 1 17 . 1 1 83 83 ASP CA C 83 51.700 51.700 53.447 -1.747 18788 12400 1 17 . 1 1 83 83 ASP CB C 83 42.100 42.100 42.638 -0.538 18788 12401 1 17 . 1 1 83 83 ASP H H 83 8.590 8.590 8.836 -0.246 18788 12402 1 17 . 1 1 85 85 TYR N N 85 119.300 119.300 116.764 2.536 18788 12403 1 17 . 1 1 85 85 TYR HA H 85 4.600 4.600 4.534 0.066 18788 12404 1 17 . 1 1 85 85 TYR C C 85 176.100 176.100 175.915 0.185 18788 12405 1 17 . 1 1 85 85 TYR CA C 85 57.100 57.100 57.693 -0.593 18788 12406 1 17 . 1 1 85 85 TYR CB C 85 37.900 37.900 38.368 -0.468 18788 12407 1 17 . 1 1 85 85 TYR H H 85 7.650 7.650 8.426 -0.776 18788 12408 1 17 . 1 1 86 86 GLY N N 86 108.500 108.500 108.222 0.278 18788 12409 1 17 . 1 1 86 86 GLY C C 86 174.400 174.400 173.456 0.944 18788 12410 1 17 . 1 1 86 86 GLY CA C 86 45.400 45.400 45.050 0.350 18788 12411 1 17 . 1 1 86 86 GLY H H 86 8.120 8.120 8.063 0.057 18788 12412 1 17 . 1 1 87 87 ARG N N 87 121.600 121.600 119.334 2.266 18788 12413 1 17 . 1 1 87 87 ARG HA H 87 4.430 4.430 4.768 -0.338 18788 12414 1 17 . 1 1 87 87 ARG C C 87 177.000 177.000 175.894 1.106 18788 12415 1 17 . 1 1 87 87 ARG CA C 87 55.300 55.300 54.593 0.707 18788 12416 1 17 . 1 1 87 87 ARG CB C 87 30.000 30.000 32.050 -2.050 18788 12417 1 17 . 1 1 87 87 ARG H H 87 8.600 8.600 7.290 1.310 18788 12418 1 17 . 1 1 88 88 GLY N N 88 108.000 108.000 108.160 -0.160 18788 12419 1 17 . 1 1 88 88 GLY C C 88 171.800 171.800 172.667 -0.867 18788 12420 1 17 . 1 1 88 88 GLY CA C 88 44.800 44.800 43.897 0.903 18788 12421 1 17 . 1 1 88 88 GLY H H 88 8.780 8.780 8.596 0.184 18788 12422 1 17 . 1 1 89 89 LEU N N 89 125.100 125.100 125.413 -0.313 18788 12423 1 17 . 1 1 89 89 LEU HA H 89 5.190 5.190 5.294 -0.104 18788 12424 1 17 . 1 1 89 89 LEU C C 89 174.800 174.800 175.729 -0.929 18788 12425 1 17 . 1 1 89 89 LEU CA C 89 52.800 52.800 53.899 -1.099 18788 12426 1 17 . 1 1 89 89 LEU CB C 89 42.900 42.900 41.982 0.918 18788 12427 1 17 . 1 1 89 89 LEU H H 89 8.220 8.220 8.757 -0.537 18788 12428 1 17 . 1 1 90 90 ALA N N 90 119.900 119.900 125.438 -5.538 18788 12429 1 17 . 1 1 90 90 ALA HA H 90 4.790 4.790 4.907 -0.117 18788 12430 1 17 . 1 1 90 90 ALA C C 90 177.000 177.000 176.022 0.978 18788 12431 1 17 . 1 1 90 90 ALA CA C 90 50.800 50.800 50.461 0.339 18788 12432 1 17 . 1 1 90 90 ALA CB C 90 23.700 23.700 22.237 1.463 18788 12433 1 17 . 1 1 90 90 ALA H H 90 7.400 7.400 8.022 -0.622 18788 12434 1 17 . 1 1 91 91 TYR N N 91 122.400 122.400 120.989 1.411 18788 12435 1 17 . 1 1 91 91 TYR HA H 91 4.650 4.650 4.486 0.164 18788 12436 1 17 . 1 1 91 91 TYR C C 91 174.600 174.600 175.087 -0.487 18788 12437 1 17 . 1 1 91 91 TYR CA C 91 57.200 57.200 57.872 -0.672 18788 12438 1 17 . 1 1 91 91 TYR CB C 91 37.600 37.600 38.871 -1.271 18788 12439 1 17 . 1 1 91 91 TYR H H 91 9.000 9.000 9.059 -0.059 18788 12440 1 17 . 1 1 92 92 ILE N N 92 122.200 122.200 124.031 -1.831 18788 12441 1 17 . 1 1 92 92 ILE HA H 92 4.950 4.950 4.851 0.099 18788 12442 1 17 . 1 1 92 92 ILE C C 92 173.700 173.700 175.362 -1.662 18788 12443 1 17 . 1 1 92 92 ILE CA C 92 58.700 58.700 60.481 -1.781 18788 12444 1 17 . 1 1 92 92 ILE CB C 92 38.900 38.900 39.681 -0.781 18788 12445 1 17 . 1 1 92 92 ILE H H 92 7.830 7.830 8.719 -0.889 18788 12446 1 17 . 1 1 93 93 TYR N N 93 126.200 126.200 125.973 0.227 18788 12447 1 17 . 1 1 93 93 TYR HA H 93 5.080 5.080 5.186 -0.106 18788 12448 1 17 . 1 1 93 93 TYR C C 93 173.900 173.900 174.683 -0.783 18788 12449 1 17 . 1 1 93 93 TYR CA C 93 56.500 56.500 55.953 0.547 18788 12450 1 17 . 1 1 93 93 TYR CB C 93 41.500 41.500 41.263 0.237 18788 12451 1 17 . 1 1 93 93 TYR H H 93 9.540 9.540 9.315 0.225 18788 12452 1 17 . 1 1 94 94 ALA N N 94 125.700 125.700 125.565 0.135 18788 12453 1 17 . 1 1 94 94 ALA HA H 94 4.960 4.960 4.584 0.376 18788 12454 1 17 . 1 1 94 94 ALA C C 94 175.700 175.700 176.458 -0.758 18788 12455 1 17 . 1 1 94 94 ALA CA C 94 49.700 49.700 50.989 -1.289 18788 12456 1 17 . 1 1 94 94 ALA CB C 94 20.900 20.900 19.172 1.728 18788 12457 1 17 . 1 1 94 94 ALA H H 94 9.230 9.230 9.217 0.013 18788 12458 1 17 . 1 1 95 95 ASP N N 95 127.600 127.600 124.566 3.034 18788 12459 1 17 . 1 1 95 95 ASP HA H 95 4.430 4.430 4.319 0.111 18788 12460 1 17 . 1 1 95 95 ASP C C 95 176.100 176.100 176.578 -0.478 18788 12461 1 17 . 1 1 95 95 ASP CA C 95 56.500 56.500 55.491 1.009 18788 12462 1 17 . 1 1 95 95 ASP CB C 95 39.500 39.500 40.472 -0.972 18788 12463 1 17 . 1 1 95 95 ASP H H 95 9.720 9.720 8.989 0.731 18788 12464 1 17 . 1 1 96 96 GLY N N 96 103.000 103.000 103.496 -0.496 18788 12465 1 17 . 1 1 96 96 GLY C C 96 173.800 173.800 174.413 -0.613 18788 12466 1 17 . 1 1 96 96 GLY CA C 96 45.400 45.400 45.278 0.122 18788 12467 1 17 . 1 1 96 96 GLY H H 96 9.420 9.420 8.032 1.388 18788 12468 1 17 . 1 1 97 97 LYS N N 97 121.400 121.400 122.888 -1.488 18788 12469 1 17 . 1 1 97 97 LYS HA H 97 4.670 4.670 4.368 0.302 18788 12470 1 17 . 1 1 97 97 LYS C C 97 176.000 176.000 175.812 0.188 18788 12471 1 17 . 1 1 97 97 LYS CA C 97 54.200 54.200 55.537 -1.337 18788 12472 1 17 . 1 1 97 97 LYS CB C 97 33.100 33.100 33.009 0.091 18788 12473 1 17 . 1 1 97 97 LYS H H 97 7.870 7.870 8.007 -0.137 18788 12474 1 17 . 1 1 98 98 MET N N 98 127.000 127.000 126.951 0.049 18788 12475 1 17 . 1 1 98 98 MET HA H 98 3.780 3.780 3.987 -0.207 18788 12476 1 17 . 1 1 98 98 MET C C 98 177.700 177.700 176.717 0.983 18788 12477 1 17 . 1 1 98 98 MET CA C 98 56.100 56.100 56.231 -0.131 18788 12478 1 17 . 1 1 98 98 MET CB C 98 34.700 34.700 32.205 2.495 18788 12479 1 17 . 1 1 98 98 MET H H 98 9.280 9.280 8.947 0.333 18788 12480 1 17 . 1 1 99 99 VAL N N 99 103.700 103.700 127.773 -24.073 18788 12481 1 17 . 1 1 99 99 VAL HA H 99 3.730 3.730 3.640 0.090 18788 12482 1 17 . 1 1 99 99 VAL C C 99 177.200 177.200 177.814 -0.614 18788 12483 1 17 . 1 1 99 99 VAL CA C 99 66.100 66.100 66.684 -0.585 18788 12484 1 17 . 1 1 99 99 VAL CB C 99 32.400 32.400 31.661 0.739 18788 12485 1 17 . 1 1 99 99 VAL H H 99 10.190 10.190 8.908 1.282 18788 12486 1 17 . 1 1 100 100 ASN N N 100 108.600 108.600 117.671 -9.071 18788 12487 1 17 . 1 1 100 100 ASN HA H 100 4.080 4.080 4.348 -0.268 18788 12488 1 17 . 1 1 100 100 ASN C C 100 174.200 174.200 177.039 -2.839 18788 12489 1 17 . 1 1 100 100 ASN CA C 100 57.200 57.200 56.230 0.970 18788 12490 1 17 . 1 1 100 100 ASN CB C 100 34.700 34.700 37.207 -2.507 18788 12491 1 17 . 1 1 100 100 ASN H H 100 9.670 9.670 7.732 1.938 18788 12492 1 17 . 1 1 101 101 GLU N N 101 112.800 112.800 121.299 -8.499 18788 12493 1 17 . 1 1 101 101 GLU HA H 101 3.660 3.660 4.107 -0.447 18788 12494 1 17 . 1 1 101 101 GLU C C 101 176.100 176.100 177.965 -1.865 18788 12495 1 17 . 1 1 101 101 GLU CA C 101 59.800 59.800 59.237 0.563 18788 12496 1 17 . 1 1 101 101 GLU CB C 101 30.200 30.200 29.547 0.653 18788 12497 1 17 . 1 1 101 101 GLU H H 101 6.150 6.150 7.923 -1.773 18788 12498 1 17 . 1 1 102 102 ALA N N 102 122.600 122.600 123.061 -0.461 18788 12499 1 17 . 1 1 102 102 ALA HA H 102 4.070 4.070 4.140 -0.070 18788 12500 1 17 . 1 1 102 102 ALA C C 102 179.800 179.800 180.003 -0.203 18788 12501 1 17 . 1 1 102 102 ALA CA C 102 55.300 55.300 55.278 0.022 18788 12502 1 17 . 1 1 102 102 ALA CB C 102 17.900 17.900 18.342 -0.442 18788 12503 1 17 . 1 1 102 102 ALA H H 102 7.810 7.810 8.023 -0.213 18788 12504 1 17 . 1 1 103 103 LEU N N 103 116.100 116.100 118.741 -2.641 18788 12505 1 17 . 1 1 103 103 LEU HA H 103 3.280 3.280 3.466 -0.186 18788 12506 1 17 . 1 1 103 103 LEU C C 103 178.900 178.900 178.851 0.049 18788 12507 1 17 . 1 1 103 103 LEU CA C 103 57.800 57.800 57.891 -0.091 18788 12508 1 17 . 1 1 103 103 LEU CB C 103 45.500 45.500 41.532 3.968 18788 12509 1 17 . 1 1 103 103 LEU H H 103 8.070 8.070 8.475 -0.405 18788 12510 1 17 . 1 1 104 104 VAL N N 104 116.600 116.600 118.916 -2.316 18788 12511 1 17 . 1 1 104 104 VAL HA H 104 3.870 3.870 3.911 -0.041 18788 12512 1 17 . 1 1 104 104 VAL C C 104 180.300 180.300 179.401 0.899 18788 12513 1 17 . 1 1 104 104 VAL CA C 104 65.000 65.000 65.770 -0.770 18788 12514 1 17 . 1 1 104 104 VAL CB C 104 32.000 32.000 31.690 0.310 18788 12515 1 17 . 1 1 104 104 VAL H H 104 6.890 6.890 7.704 -0.814 18788 12516 1 17 . 1 1 105 105 ARG N N 105 122.400 122.400 119.285 3.115 18788 12517 1 17 . 1 1 105 105 ARG HA H 105 4.130 4.130 4.282 -0.152 18788 12518 1 17 . 1 1 105 105 ARG C C 105 176.000 176.000 178.361 -2.361 18788 12519 1 17 . 1 1 105 105 ARG CA C 105 57.000 57.000 59.060 -2.060 18788 12520 1 17 . 1 1 105 105 ARG CB C 105 28.300 28.300 30.224 -1.924 18788 12521 1 17 . 1 1 105 105 ARG H H 105 9.140 9.140 8.477 0.663 18788 12522 1 17 . 1 1 106 106 GLN N N 106 112.000 112.000 116.273 -4.273 18788 12523 1 17 . 1 1 106 106 GLN HA H 106 4.320 4.320 4.252 0.068 18788 12524 1 17 . 1 1 106 106 GLN C C 106 175.600 175.600 175.612 -0.012 18788 12525 1 17 . 1 1 106 106 GLN CA C 106 53.800 53.800 54.586 -0.786 18788 12526 1 17 . 1 1 106 106 GLN CB C 106 28.300 28.300 28.907 -0.608 18788 12527 1 17 . 1 1 106 106 GLN H H 106 7.120 7.120 7.854 -0.734 18788 12528 1 17 . 1 1 107 107 GLY N N 107 107.100 107.100 106.583 0.517 18788 12529 1 17 . 1 1 107 107 GLY C C 107 172.400 172.400 174.343 -1.943 18788 12530 1 17 . 1 1 107 107 GLY CA C 107 46.300 46.300 46.109 0.191 18788 12531 1 17 . 1 1 107 107 GLY H H 107 8.080 8.080 7.787 0.293 18788 12532 1 17 . 1 1 108 108 LEU N N 108 115.100 115.100 118.920 -3.820 18788 12533 1 17 . 1 1 108 108 LEU HA H 108 4.300 4.300 4.474 -0.174 18788 12534 1 17 . 1 1 108 108 LEU C C 108 172.500 172.500 174.902 -2.402 18788 12535 1 17 . 1 1 108 108 LEU CA C 108 53.300 53.300 54.373 -1.073 18788 12536 1 17 . 1 1 108 108 LEU CB C 108 43.500 43.500 42.559 0.941 18788 12537 1 17 . 1 1 108 108 LEU H H 108 7.810 7.810 8.520 -0.710 18788 12538 1 17 . 1 1 109 109 ALA N N 109 112.900 112.900 118.734 -5.834 18788 12539 1 17 . 1 1 109 109 ALA HA H 109 4.500 4.500 4.806 -0.306 18788 12540 1 17 . 1 1 109 109 ALA C C 109 174.800 174.800 175.776 -0.976 18788 12541 1 17 . 1 1 109 109 ALA CA C 109 49.900 49.900 50.475 -0.575 18788 12542 1 17 . 1 1 109 109 ALA CB C 109 24.900 24.900 21.998 2.902 18788 12543 1 17 . 1 1 109 109 ALA H H 109 6.950 6.950 7.362 -0.412 18788 12544 1 17 . 1 1 110 110 LYS N N 110 117.700 117.700 119.943 -2.243 18788 12545 1 17 . 1 1 110 110 LYS HA H 110 5.120 5.120 4.869 0.251 18788 12546 1 17 . 1 1 110 110 LYS C C 110 175.800 175.800 175.484 0.316 18788 12547 1 17 . 1 1 110 110 LYS CA C 110 53.800 53.800 54.708 -0.908 18788 12548 1 17 . 1 1 110 110 LYS CB C 110 35.300 35.300 36.098 -0.798 18788 12549 1 17 . 1 1 110 110 LYS H H 110 7.890 7.890 8.066 -0.176 18788 12550 1 17 . 1 1 111 111 VAL N N 111 123.100 123.100 121.810 1.290 18788 12551 1 17 . 1 1 111 111 VAL HA H 111 4.630 4.630 4.521 0.109 18788 12552 1 17 . 1 1 111 111 VAL C C 111 176.500 176.500 175.545 0.955 18788 12553 1 17 . 1 1 111 111 VAL CA C 111 63.100 63.100 62.148 0.952 18788 12554 1 17 . 1 1 111 111 VAL CB C 111 30.600 30.600 31.051 -0.451 18788 12555 1 17 . 1 1 111 111 VAL H H 111 9.180 9.180 8.955 0.225 18788 12556 1 17 . 1 1 112 112 ALA N N 112 131.500 131.500 129.493 2.007 18788 12557 1 17 . 1 1 112 112 ALA HA H 112 4.150 4.150 4.576 -0.426 18788 12558 1 17 . 1 1 112 112 ALA C C 112 173.300 173.300 175.561 -2.261 18788 12559 1 17 . 1 1 112 112 ALA CA C 112 51.300 51.300 50.440 0.860 18788 12560 1 17 . 1 1 112 112 ALA CB C 112 23.900 23.900 21.524 2.376 18788 12561 1 17 . 1 1 112 112 ALA H H 112 8.000 8.000 8.527 -0.527 18788 12562 1 17 . 1 1 114 114 VAL N N 114 123.100 123.100 123.016 0.084 18788 12563 1 17 . 1 1 114 114 VAL HA H 114 3.550 3.550 4.052 -0.502 18788 12564 1 17 . 1 1 114 114 VAL C C 114 174.600 174.600 175.403 -0.803 18788 12565 1 17 . 1 1 114 114 VAL CA C 114 62.000 62.000 62.301 -0.301 18788 12566 1 17 . 1 1 114 114 VAL CB C 114 30.300 30.300 32.422 -2.122 18788 12567 1 17 . 1 1 114 114 VAL H H 114 7.480 7.480 7.819 -0.339 18788 12568 1 17 . 1 1 115 115 TYR N N 115 130.100 130.100 127.388 2.712 18788 12569 1 17 . 1 1 115 115 TYR HA H 115 4.940 4.940 4.748 0.192 18788 12570 1 17 . 1 1 115 115 TYR C C 115 175.700 175.700 174.892 0.808 18788 12571 1 17 . 1 1 115 115 TYR CA C 115 54.900 54.900 56.337 -1.437 18788 12572 1 17 . 1 1 115 115 TYR CB C 115 38.200 38.200 38.481 -0.281 18788 12573 1 17 . 1 1 115 115 TYR H H 115 8.970 8.970 8.955 0.015 18788 12574 1 17 . 1 1 116 116 LYS N N 116 125.400 125.400 125.319 0.081 18788 12575 1 17 . 1 1 116 116 LYS HA H 116 3.940 3.940 4.607 -0.667 18788 12576 1 17 . 1 1 116 116 LYS C C 116 175.100 175.100 175.787 -0.687 18788 12577 1 17 . 1 1 116 116 LYS CA C 116 56.400 56.400 55.815 0.585 18788 12578 1 17 . 1 1 116 116 LYS CB C 116 31.600 31.600 32.196 -0.596 18788 12579 1 17 . 1 1 116 116 LYS H H 116 8.770 8.770 8.676 0.094 18788 12580 1 17 . 1 1 117 117 PRO HA H 117 4.620 4.620 4.734 -0.114 18788 12581 1 17 . 1 1 117 117 PRO C C 117 175.600 175.600 176.128 -0.528 18788 12582 1 17 . 1 1 117 117 PRO CA C 117 64.100 64.100 62.937 1.163 18788 12583 1 17 . 1 1 117 117 PRO CB C 117 32.600 32.600 32.231 0.369 18788 12584 1 17 . 1 1 118 118 ASN N N 118 128.800 128.800 121.039 7.761 18788 12585 1 17 . 1 1 118 118 ASN HA H 118 5.310 5.310 4.988 0.322 18788 12586 1 17 . 1 1 118 118 ASN C C 118 174.500 174.500 174.104 0.396 18788 12587 1 17 . 1 1 118 118 ASN CA C 118 51.600 51.600 53.590 -1.990 18788 12588 1 17 . 1 1 118 118 ASN CB C 118 36.200 36.200 37.257 -1.057 18788 12589 1 17 . 1 1 118 118 ASN H H 118 8.710 8.710 8.045 0.665 18788 12590 1 17 . 1 1 119 119 ASN N N 119 117.600 117.600 117.273 0.327 18788 12591 1 17 . 1 1 119 119 ASN HA H 119 5.020 5.020 4.945 0.075 18788 12592 1 17 . 1 1 119 119 ASN C C 119 177.500 177.500 175.150 2.350 18788 12593 1 17 . 1 1 119 119 ASN CA C 119 51.900 51.900 53.349 -1.449 18788 12594 1 17 . 1 1 119 119 ASN CB C 119 39.100 39.100 39.885 -0.784 18788 12595 1 17 . 1 1 119 119 ASN H H 119 8.120 8.120 8.342 -0.222 18788 12596 1 17 . 1 1 120 120 THR N N 120 124.400 124.400 118.199 6.201 18788 12597 1 17 . 1 1 120 120 THR HA H 120 3.850 3.850 4.200 -0.350 18788 12598 1 17 . 1 1 120 120 THR C C 120 176.400 176.400 175.517 0.883 18788 12599 1 17 . 1 1 120 120 THR CA C 120 69.100 69.100 65.917 3.183 18788 12600 1 17 . 1 1 120 120 THR CB C 120 66.800 66.800 68.969 -2.169 18788 12601 1 17 . 1 1 120 120 THR H H 120 10.730 10.730 8.588 2.142 18788 12602 1 17 . 1 1 121 121 HIS N N 121 113.400 113.400 117.881 -4.481 18788 12603 1 17 . 1 1 121 121 HIS HA H 121 5.420 5.420 5.017 0.403 18788 12604 1 17 . 1 1 121 121 HIS C C 121 174.800 174.800 175.361 -0.561 18788 12605 1 17 . 1 1 121 121 HIS CA C 121 53.900 53.900 54.306 -0.406 18788 12606 1 17 . 1 1 121 121 HIS CB C 121 29.400 29.400 30.195 -0.795 18788 12607 1 17 . 1 1 121 121 HIS H H 121 6.860 6.860 7.756 -0.896 18788 12608 1 17 . 1 1 122 122 GLU N N 122 120.200 120.200 121.245 -1.045 18788 12609 1 17 . 1 1 122 122 GLU HA H 122 3.700 3.700 4.054 -0.354 18788 12610 1 17 . 1 1 122 122 GLU C C 122 177.200 177.200 178.287 -1.087 18788 12611 1 17 . 1 1 122 122 GLU CA C 122 61.200 61.200 60.049 1.151 18788 12612 1 17 . 1 1 122 122 GLU CB C 122 29.900 29.900 29.652 0.248 18788 12613 1 17 . 1 1 122 122 GLU H H 122 7.540 7.540 7.823 -0.283 18788 12614 1 17 . 1 1 123 123 GLN N N 123 117.200 117.200 117.678 -0.478 18788 12615 1 17 . 1 1 123 123 GLN HA H 123 3.970 3.970 4.095 -0.125 18788 12616 1 17 . 1 1 123 123 GLN C C 123 178.600 178.600 178.325 0.275 18788 12617 1 17 . 1 1 123 123 GLN CA C 123 59.500 59.500 58.432 1.068 18788 12618 1 17 . 1 1 123 123 GLN CB C 123 27.100 27.100 27.491 -0.391 18788 12619 1 17 . 1 1 123 123 GLN H H 123 8.920 8.920 8.312 0.608 18788 12620 1 17 . 1 1 124 124 LEU N N 124 122.000 122.000 120.958 1.042 18788 12621 1 17 . 1 1 124 124 LEU HA H 124 4.090 4.090 4.099 -0.009 18788 12622 1 17 . 1 1 124 124 LEU C C 124 179.100 179.100 178.329 0.771 18788 12623 1 17 . 1 1 124 124 LEU CA C 124 58.600 58.600 57.233 1.367 18788 12624 1 17 . 1 1 124 124 LEU CB C 124 42.000 42.000 41.198 0.802 18788 12625 1 17 . 1 1 124 124 LEU H H 124 7.940 7.940 7.299 0.641 18788 12626 1 17 . 1 1 125 125 LEU N N 125 118.900 118.900 118.543 0.357 18788 12627 1 17 . 1 1 125 125 LEU HA H 125 4.000 4.000 4.006 -0.006 18788 12628 1 17 . 1 1 125 125 LEU C C 125 179.200 179.200 179.275 -0.075 18788 12629 1 17 . 1 1 125 125 LEU CA C 125 58.900 58.900 57.742 1.158 18788 12630 1 17 . 1 1 125 125 LEU CB C 125 41.100 41.100 41.255 -0.155 18788 12631 1 17 . 1 1 125 125 LEU H H 125 8.030 8.030 7.723 0.307 18788 12632 1 17 . 1 1 126 126 ARG N N 126 118.800 118.800 119.680 -0.880 18788 12633 1 17 . 1 1 126 126 ARG HA H 126 4.030 4.030 4.006 0.024 18788 12634 1 17 . 1 1 126 126 ARG C C 126 179.700 179.700 178.140 1.560 18788 12635 1 17 . 1 1 126 126 ARG CA C 126 60.600 60.600 58.763 1.837 18788 12636 1 17 . 1 1 126 126 ARG CB C 126 29.100 29.100 29.771 -0.671 18788 12637 1 17 . 1 1 126 126 ARG H H 126 9.010 9.010 8.327 0.683 18788 12638 1 17 . 1 1 127 127 LYS N N 127 122.700 122.700 119.680 3.020 18788 12639 1 17 . 1 1 127 127 LYS HA H 127 4.150 4.150 3.990 0.160 18788 12640 1 17 . 1 1 127 127 LYS C C 127 179.800 179.800 178.964 0.836 18788 12641 1 17 . 1 1 127 127 LYS CA C 127 60.100 60.100 59.632 0.468 18788 12642 1 17 . 1 1 127 127 LYS CB C 127 31.700 31.700 31.665 0.035 18788 12643 1 17 . 1 1 127 127 LYS H H 127 8.160 8.160 8.069 0.091 18788 12644 1 17 . 1 1 128 128 SER N N 128 118.300 118.300 116.428 1.872 18788 12645 1 17 . 1 1 128 128 SER HA H 128 4.320 4.320 4.094 0.226 18788 12646 1 17 . 1 1 128 128 SER C C 128 175.500 175.500 176.175 -0.675 18788 12647 1 17 . 1 1 128 128 SER CA C 128 63.600 63.600 62.764 0.836 18788 12648 1 17 . 1 1 128 128 SER CB C 128 62.600 62.600 62.874 -0.274 18788 12649 1 17 . 1 1 128 128 SER H H 128 7.830 7.830 7.744 0.086 18788 12650 1 17 . 1 1 129 129 GLU N N 129 125.200 125.200 123.081 2.119 18788 12651 1 17 . 1 1 129 129 GLU HA H 129 3.900 3.900 4.034 -0.134 18788 12652 1 17 . 1 1 129 129 GLU C C 129 177.400 177.400 178.078 -0.678 18788 12653 1 17 . 1 1 129 129 GLU CA C 129 59.200 59.200 59.052 0.148 18788 12654 1 17 . 1 1 129 129 GLU CB C 129 30.900 30.900 29.681 1.219 18788 12655 1 17 . 1 1 129 129 GLU H H 129 8.580 8.580 7.895 0.685 18788 12656 1 17 . 1 1 130 130 ALA N N 130 119.500 119.500 122.035 -2.535 18788 12657 1 17 . 1 1 130 130 ALA HA H 130 3.850 3.850 3.837 0.013 18788 12658 1 17 . 1 1 130 130 ALA C C 130 181.000 181.000 179.936 1.064 18788 12659 1 17 . 1 1 130 130 ALA CA C 130 55.000 55.000 55.111 -0.111 18788 12660 1 17 . 1 1 130 130 ALA CB C 130 17.600 17.600 17.900 -0.300 18788 12661 1 17 . 1 1 130 130 ALA H H 130 7.950 7.950 8.075 -0.125 18788 12662 1 17 . 1 1 131 131 GLN N N 131 118.600 118.600 118.368 0.232 18788 12663 1 17 . 1 1 131 131 GLN HA H 131 3.990 3.990 3.929 0.061 18788 12664 1 17 . 1 1 131 131 GLN C C 131 177.200 177.200 178.474 -1.274 18788 12665 1 17 . 1 1 131 131 GLN CA C 131 58.800 58.800 58.732 0.068 18788 12666 1 17 . 1 1 131 131 GLN CB C 131 28.000 28.000 28.358 -0.358 18788 12667 1 17 . 1 1 131 131 GLN H H 131 7.520 7.520 8.034 -0.514 18788 12668 1 17 . 1 1 132 132 ALA N N 132 123.100 123.100 122.087 1.013 18788 12669 1 17 . 1 1 132 132 ALA HA H 132 3.930 3.930 4.085 -0.155 18788 12670 1 17 . 1 1 132 132 ALA C C 132 179.500 179.500 179.508 -0.008 18788 12671 1 17 . 1 1 132 132 ALA CA C 132 55.600 55.600 55.010 0.590 18788 12672 1 17 . 1 1 132 132 ALA CB C 132 18.400 18.400 18.581 -0.181 18788 12673 1 17 . 1 1 132 132 ALA H H 132 8.000 8.000 7.867 0.133 18788 12674 1 17 . 1 1 133 133 LYS N N 133 117.200 117.200 117.965 -0.765 18788 12675 1 17 . 1 1 133 133 LYS HA H 133 3.450 3.450 3.549 -0.099 18788 12676 1 17 . 1 1 133 133 LYS C C 133 180.800 180.800 179.447 1.353 18788 12677 1 17 . 1 1 133 133 LYS CA C 133 59.500 59.500 59.026 0.474 18788 12678 1 17 . 1 1 133 133 LYS CB C 133 32.200 32.200 32.023 0.177 18788 12679 1 17 . 1 1 133 133 LYS H H 133 8.170 8.170 7.696 0.474 18788 12680 1 17 . 1 1 134 134 LYS N N 134 122.600 122.600 119.004 3.596 18788 12681 1 17 . 1 1 134 134 LYS HA H 134 3.960 3.960 4.092 -0.132 18788 12682 1 17 . 1 1 134 134 LYS C C 134 178.700 178.700 178.161 0.539 18788 12683 1 17 . 1 1 134 134 LYS CA C 134 59.200 59.200 58.707 0.493 18788 12684 1 17 . 1 1 134 134 LYS CB C 134 32.200 32.200 32.167 0.033 18788 12685 1 17 . 1 1 134 134 LYS H H 134 7.830 7.830 8.127 -0.297 18788 12686 1 17 . 1 1 135 135 GLU N N 135 116.500 116.500 117.245 -0.745 18788 12687 1 17 . 1 1 135 135 GLU HA H 135 4.030 4.030 4.413 -0.383 18788 12688 1 17 . 1 1 135 135 GLU C C 135 174.500 174.500 175.002 -0.502 18788 12689 1 17 . 1 1 135 135 GLU CA C 135 56.700 56.700 56.014 0.686 18788 12690 1 17 . 1 1 135 135 GLU CB C 135 29.700 29.700 29.839 -0.139 18788 12691 1 17 . 1 1 135 135 GLU H H 135 7.680 7.680 7.642 0.038 18788 12692 1 17 . 1 1 136 136 LYS N N 136 116.800 116.800 117.222 -0.422 18788 12693 1 17 . 1 1 136 136 LYS HA H 136 3.540 3.540 4.007 -0.467 18788 12694 1 17 . 1 1 136 136 LYS C C 136 175.000 175.000 176.024 -1.024 18788 12695 1 17 . 1 1 136 136 LYS CA C 136 56.800 56.800 56.820 -0.020 18788 12696 1 17 . 1 1 136 136 LYS CB C 136 28.800 28.800 29.531 -0.731 18788 12697 1 17 . 1 1 136 136 LYS H H 136 7.820 7.820 7.425 0.395 18788 12698 1 17 . 1 1 137 137 LEU N N 137 117.000 117.000 118.793 -1.793 18788 12699 1 17 . 1 1 137 137 LEU HA H 137 4.190 4.190 4.179 0.011 18788 12700 1 17 . 1 1 137 137 LEU C C 137 178.500 178.500 178.339 0.161 18788 12701 1 17 . 1 1 137 137 LEU CA C 137 55.000 55.000 55.047 -0.047 18788 12702 1 17 . 1 1 137 137 LEU CB C 137 44.000 44.000 42.316 1.684 18788 12703 1 17 . 1 1 137 137 LEU H H 137 7.650 7.650 8.160 -0.510 18788 12704 1 17 . 1 1 138 138 ASN N N 138 118.700 118.700 118.765 -0.065 18788 12705 1 17 . 1 1 138 138 ASN HA H 138 3.730 3.730 4.259 -0.529 18788 12706 1 17 . 1 1 138 138 ASN C C 138 176.300 176.300 177.525 -1.225 18788 12707 1 17 . 1 1 138 138 ASN CA C 138 56.600 56.600 56.320 0.280 18788 12708 1 17 . 1 1 138 138 ASN CB C 138 38.700 38.700 38.345 0.355 18788 12709 1 17 . 1 1 138 138 ASN H H 138 9.050 9.050 8.690 0.360 18788 12710 1 17 . 1 1 139 139 ILE N N 139 123.800 123.800 113.056 10.744 18788 12711 1 17 . 1 1 139 139 ILE HA H 139 3.380 3.380 3.921 -0.541 18788 12712 1 17 . 1 1 139 139 ILE C C 139 176.700 176.700 176.049 0.651 18788 12713 1 17 . 1 1 139 139 ILE CA C 139 65.700 65.700 62.350 3.350 18788 12714 1 17 . 1 1 139 139 ILE CB C 139 37.000 37.000 37.181 -0.181 18788 12715 1 17 . 1 1 139 139 ILE H H 139 8.350 8.350 7.392 0.958 18788 12716 1 17 . 1 1 140 140 TRP N N 140 119.700 119.700 119.682 0.018 18788 12717 1 17 . 1 1 140 140 TRP HA H 140 4.940 4.940 4.765 0.175 18788 12718 1 17 . 1 1 140 140 TRP C C 140 176.200 176.200 176.177 0.023 18788 12719 1 17 . 1 1 140 140 TRP CA C 140 54.900 54.900 55.620 -0.720 18788 12720 1 17 . 1 1 140 140 TRP CB C 140 30.000 30.000 30.422 -0.422 18788 12721 1 17 . 1 1 140 140 TRP H H 140 7.850 7.850 7.814 0.036 18788 12722 1 17 . 1 1 141 141 SER N N 141 116.100 116.100 116.997 -0.897 18788 12723 1 17 . 1 1 141 141 SER HA H 141 4.220 4.220 4.490 -0.271 18788 12724 1 17 . 1 1 141 141 SER C C 141 175.200 175.200 174.853 0.347 18788 12725 1 17 . 1 1 141 141 SER CA C 141 59.800 59.800 59.033 0.767 18788 12726 1 17 . 1 1 141 141 SER CB C 141 64.600 64.600 62.311 2.289 18788 12727 1 17 . 1 1 141 141 SER H H 141 8.080 8.080 7.693 0.387 18788 12728 1 17 . 1 1 142 142 GLU N N 142 121.200 121.200 126.469 -5.269 18788 12729 1 17 . 1 1 142 142 GLU HA H 142 4.430 4.430 4.137 0.293 18788 12730 1 17 . 1 1 142 142 GLU C C 142 176.200 176.200 176.254 -0.054 18788 12731 1 17 . 1 1 142 142 GLU CA C 142 56.100 56.100 57.179 -1.079 18788 12732 1 17 . 1 1 142 142 GLU CB C 142 30.500 30.500 30.340 0.161 18788 12733 1 17 . 1 1 142 142 GLU H H 142 8.020 8.020 8.263 -0.243 18788 12734 1 17 . 1 1 143 143 ASP N N 143 121.400 121.400 123.776 -2.376 18788 12735 1 17 . 1 1 143 143 ASP HA H 143 4.620 4.620 4.616 0.004 18788 12736 1 17 . 1 1 143 143 ASP C C 143 176.100 176.100 176.114 -0.014 18788 12737 1 17 . 1 1 143 143 ASP CA C 143 54.800 54.800 54.356 0.444 18788 12738 1 17 . 1 1 143 143 ASP CB C 143 41.200 41.200 41.157 0.043 18788 12739 1 17 . 1 1 143 143 ASP H H 143 8.370 8.370 8.491 -0.121 18788 12740 1 17 . 1 1 144 144 ASN N N 144 119.300 119.300 123.281 -3.981 18788 12741 1 17 . 1 1 144 144 ASN HA H 144 4.760 4.760 4.738 0.022 18788 12742 1 17 . 1 1 144 144 ASN C C 144 175.200 175.200 173.988 1.212 18788 12743 1 17 . 1 1 144 144 ASN CA C 144 53.200 53.200 52.444 0.756 18788 12744 1 17 . 1 1 144 144 ASN CB C 144 39.000 39.000 39.522 -0.522 18788 12745 1 17 . 1 1 144 144 ASN H H 144 8.400 8.400 8.682 -0.282 18788 12746 1 17 . 1 1 145 145 ALA N N 145 124.300 124.300 121.867 2.433 18788 12747 1 17 . 1 1 145 145 ALA HA H 145 4.310 4.310 4.598 -0.288 18788 12748 1 17 . 1 1 145 145 ALA C C 145 177.700 177.700 176.335 1.365 18788 12749 1 17 . 1 1 145 145 ALA CA C 145 53.300 53.300 52.011 1.289 18788 12750 1 17 . 1 1 145 145 ALA CB C 145 19.200 19.200 18.785 0.415 18788 12751 1 17 . 1 1 145 145 ALA H H 145 8.240 8.240 7.890 0.350 18788 12752 1 17 . 1 1 146 146 ASP N N 146 119.200 119.200 123.081 -3.881 18788 12753 1 17 . 1 1 146 146 ASP HA H 146 4.670 4.670 4.634 0.036 18788 12754 1 17 . 1 1 146 146 ASP C C 146 176.400 176.400 175.964 0.436 18788 12755 1 17 . 1 1 146 146 ASP CA C 146 54.400 54.400 54.827 -0.427 18788 12756 1 17 . 1 1 146 146 ASP CB C 146 41.200 41.200 41.750 -0.550 18788 12757 1 17 . 1 1 146 146 ASP H H 146 8.340 8.340 8.826 -0.486 18788 12758 1 17 . 1 1 147 147 SER N N 147 116.100 116.100 117.495 -1.395 18788 12759 1 17 . 1 1 147 147 SER HA H 147 4.450 4.450 4.764 -0.314 18788 12760 1 17 . 1 1 147 147 SER C C 147 175.200 175.200 173.700 1.500 18788 12761 1 17 . 1 1 147 147 SER CA C 147 58.900 58.900 58.593 0.307 18788 12762 1 17 . 1 1 147 147 SER CB C 147 64.100 64.100 63.739 0.361 18788 12763 1 17 . 1 1 147 147 SER H H 147 8.220 8.220 8.358 -0.138 18788 12764 1 17 . 1 1 148 148 GLY N N 148 111.200 111.200 110.114 1.086 18788 12765 1 17 . 1 1 148 148 GLY C C 148 173.400 173.400 173.254 0.146 18788 12766 1 17 . 1 1 148 148 GLY CA C 148 45.500 45.500 45.509 -0.009 18788 12767 1 17 . 1 1 148 148 GLY H H 148 8.470 8.470 8.270 0.200 18788 12768 1 18 . 1 1 2 2 THR N N 2 120.300 120.300 113.960 6.340 18788 12769 1 18 . 1 1 2 2 THR HA H 2 4.430 4.430 4.464 -0.034 18788 12770 1 18 . 1 1 2 2 THR C C 2 174.400 174.400 174.249 0.151 18788 12771 1 18 . 1 1 2 2 THR CA C 2 62.100 62.100 62.006 0.094 18788 12772 1 18 . 1 1 2 2 THR CB C 2 69.900 69.900 68.759 1.141 18788 12773 1 18 . 1 1 2 2 THR H H 2 8.320 8.320 8.357 -0.037 18788 12774 1 18 . 1 1 3 3 SER N N 3 118.700 118.700 118.604 0.096 18788 12775 1 18 . 1 1 3 3 SER HA H 3 5.000 5.000 4.665 0.335 18788 12776 1 18 . 1 1 3 3 SER CA C 3 58.400 58.400 57.309 1.091 18788 12777 1 18 . 1 1 3 3 SER CB C 3 68.800 68.800 63.971 4.829 18788 12778 1 18 . 1 1 3 3 SER H H 3 8.520 8.520 7.839 0.681 18788 12779 1 18 . 1 1 4 4 THR HA H 4 4.380 4.380 4.257 0.123 18788 12780 1 18 . 1 1 4 4 THR C C 4 174.400 174.400 174.937 -0.537 18788 12781 1 18 . 1 1 4 4 THR CA C 4 62.000 62.000 62.508 -0.508 18788 12782 1 18 . 1 1 4 4 THR CB C 4 69.700 69.700 69.647 0.052 18788 12783 1 18 . 1 1 5 5 LYS N N 5 124.000 124.000 126.290 -2.290 18788 12784 1 18 . 1 1 5 5 LYS HA H 5 4.370 4.370 4.482 -0.112 18788 12785 1 18 . 1 1 5 5 LYS C C 5 176.100 176.100 175.864 0.236 18788 12786 1 18 . 1 1 5 5 LYS CA C 5 56.500 56.500 55.861 0.639 18788 12787 1 18 . 1 1 5 5 LYS CB C 5 32.900 32.900 33.485 -0.585 18788 12788 1 18 . 1 1 5 5 LYS H H 5 8.320 8.320 8.471 -0.151 18788 12789 1 18 . 1 1 6 6 LYS N N 6 122.500 122.500 120.583 1.917 18788 12790 1 18 . 1 1 6 6 LYS HA H 6 4.400 4.400 4.454 -0.054 18788 12791 1 18 . 1 1 6 6 LYS C C 6 176.200 176.200 175.692 0.508 18788 12792 1 18 . 1 1 6 6 LYS CA C 6 55.900 55.900 55.368 0.532 18788 12793 1 18 . 1 1 6 6 LYS CB C 6 33.600 33.600 33.788 -0.189 18788 12794 1 18 . 1 1 6 6 LYS H H 6 8.220 8.220 8.303 -0.083 18788 12795 1 18 . 1 1 7 7 LEU N N 7 122.200 122.200 122.234 -0.034 18788 12796 1 18 . 1 1 7 7 LEU HA H 7 4.550 4.550 5.067 -0.517 18788 12797 1 18 . 1 1 7 7 LEU C C 7 176.600 176.600 177.495 -0.895 18788 12798 1 18 . 1 1 7 7 LEU CA C 7 54.800 54.800 55.126 -0.326 18788 12799 1 18 . 1 1 7 7 LEU CB C 7 41.500 41.500 42.579 -1.079 18788 12800 1 18 . 1 1 7 7 LEU H H 7 8.340 8.340 8.644 -0.304 18788 12801 1 18 . 1 1 8 8 HIS N N 8 119.200 119.200 118.722 0.478 18788 12802 1 18 . 1 1 8 8 HIS HA H 8 4.990 4.990 4.931 0.059 18788 12803 1 18 . 1 1 8 8 HIS C C 8 173.700 173.700 174.138 -0.438 18788 12804 1 18 . 1 1 8 8 HIS CA C 8 55.300 55.300 54.411 0.888 18788 12805 1 18 . 1 1 8 8 HIS CB C 8 32.200 32.200 32.666 -0.466 18788 12806 1 18 . 1 1 8 8 HIS H H 8 8.860 8.860 8.574 0.286 18788 12807 1 18 . 1 1 9 9 LYS N N 9 124.000 124.000 124.908 -0.908 18788 12808 1 18 . 1 1 9 9 LYS HA H 9 4.840 4.840 4.763 0.077 18788 12809 1 18 . 1 1 9 9 LYS C C 9 176.400 176.400 176.238 0.162 18788 12810 1 18 . 1 1 9 9 LYS CA C 9 55.700 55.700 55.348 0.352 18788 12811 1 18 . 1 1 9 9 LYS CB C 9 34.700 34.700 33.387 1.313 18788 12812 1 18 . 1 1 9 9 LYS H H 9 8.480 8.480 8.665 -0.185 18788 12813 1 18 . 1 1 10 10 GLU N N 10 123.100 123.100 124.265 -1.165 18788 12814 1 18 . 1 1 10 10 GLU HA H 10 5.060 5.060 5.016 0.044 18788 12815 1 18 . 1 1 10 10 GLU C C 10 173.200 173.200 174.618 -1.418 18788 12816 1 18 . 1 1 10 10 GLU CA C 10 53.400 53.400 52.789 0.611 18788 12817 1 18 . 1 1 10 10 GLU CB C 10 33.000 33.000 31.570 1.430 18788 12818 1 18 . 1 1 10 10 GLU H H 10 9.390 9.390 8.756 0.634 18788 12819 1 18 . 1 1 11 11 PRO HA H 11 4.900 4.900 4.825 0.075 18788 12820 1 18 . 1 1 11 11 PRO C C 11 175.400 175.400 175.618 -0.218 18788 12821 1 18 . 1 1 11 11 PRO CA C 11 63.100 63.100 62.970 0.130 18788 12822 1 18 . 1 1 11 11 PRO CB C 11 33.000 33.000 32.200 0.800 18788 12823 1 18 . 1 1 12 12 ALA N N 12 119.700 119.700 125.006 -5.306 18788 12824 1 18 . 1 1 12 12 ALA HA H 12 4.990 4.990 5.192 -0.202 18788 12825 1 18 . 1 1 12 12 ALA C C 12 175.400 175.400 175.647 -0.247 18788 12826 1 18 . 1 1 12 12 ALA CA C 12 51.600 51.600 50.546 1.054 18788 12827 1 18 . 1 1 12 12 ALA CB C 12 24.600 24.600 23.289 1.311 18788 12828 1 18 . 1 1 12 12 ALA H H 12 8.070 8.070 8.976 -0.906 18788 12829 1 18 . 1 1 13 13 THR N N 13 109.100 109.100 115.335 -6.235 18788 12830 1 18 . 1 1 13 13 THR HA H 13 4.700 4.700 4.667 0.033 18788 12831 1 18 . 1 1 13 13 THR C C 13 174.000 174.000 173.135 0.865 18788 12832 1 18 . 1 1 13 13 THR CA C 13 60.700 60.700 61.272 -0.572 18788 12833 1 18 . 1 1 13 13 THR CB C 13 71.600 71.600 71.723 -0.123 18788 12834 1 18 . 1 1 13 13 THR H H 13 8.090 8.090 7.964 0.126 18788 12835 1 18 . 1 1 14 14 LEU N N 14 125.200 125.200 127.568 -2.368 18788 12836 1 18 . 1 1 14 14 LEU HA H 14 4.140 4.140 4.219 -0.079 18788 12837 1 18 . 1 1 14 14 LEU C C 14 176.700 176.700 175.571 1.129 18788 12838 1 18 . 1 1 14 14 LEU CA C 14 56.800 56.800 55.760 1.040 18788 12839 1 18 . 1 1 14 14 LEU CB C 14 42.900 42.900 42.863 0.037 18788 12840 1 18 . 1 1 14 14 LEU H H 14 9.150 9.150 8.710 0.440 18788 12841 1 18 . 1 1 15 15 ILE N N 15 125.200 125.200 124.907 0.293 18788 12842 1 18 . 1 1 15 15 ILE HA H 15 4.220 4.220 4.281 -0.061 18788 12843 1 18 . 1 1 15 15 ILE C C 15 175.900 175.900 176.167 -0.267 18788 12844 1 18 . 1 1 15 15 ILE CA C 15 64.300 64.300 62.894 1.406 18788 12845 1 18 . 1 1 15 15 ILE CB C 15 38.700 38.700 39.383 -0.683 18788 12846 1 18 . 1 1 15 15 ILE H H 15 8.460 8.460 8.645 -0.185 18788 12847 1 18 . 1 1 16 16 LYS N N 16 114.100 114.100 118.189 -4.089 18788 12848 1 18 . 1 1 16 16 LYS HA H 16 4.460 4.460 4.560 -0.100 18788 12849 1 18 . 1 1 16 16 LYS C C 16 174.000 174.000 174.093 -0.093 18788 12850 1 18 . 1 1 16 16 LYS CA C 16 56.600 56.600 54.864 1.736 18788 12851 1 18 . 1 1 16 16 LYS CB C 16 35.300 35.300 36.769 -1.469 18788 12852 1 18 . 1 1 16 16 LYS H H 16 8.050 8.050 8.332 -0.282 18788 12853 1 18 . 1 1 17 17 ALA N N 17 129.100 129.100 127.271 1.829 18788 12854 1 18 . 1 1 17 17 ALA HA H 17 4.480 4.480 4.403 0.077 18788 12855 1 18 . 1 1 17 17 ALA C C 17 175.700 175.700 177.061 -1.361 18788 12856 1 18 . 1 1 17 17 ALA CA C 17 52.300 52.300 51.889 0.411 18788 12857 1 18 . 1 1 17 17 ALA CB C 17 18.200 18.200 18.649 -0.449 18788 12858 1 18 . 1 1 17 17 ALA H H 17 9.470 9.470 8.651 0.819 18788 12859 1 18 . 1 1 18 18 ILE N N 18 123.500 123.500 124.013 -0.513 18788 12860 1 18 . 1 1 18 18 ILE HA H 18 4.110 4.110 3.917 0.193 18788 12861 1 18 . 1 1 18 18 ILE C C 18 175.100 175.100 176.440 -1.340 18788 12862 1 18 . 1 1 18 18 ILE CA C 18 63.200 63.200 62.530 0.670 18788 12863 1 18 . 1 1 18 18 ILE CB C 18 37.800 37.800 38.089 -0.289 18788 12864 1 18 . 1 1 18 18 ILE H H 18 8.070 8.070 8.156 -0.086 18788 12865 1 18 . 1 1 19 19 ASP N N 19 120.500 120.500 115.262 5.238 18788 12866 1 18 . 1 1 19 19 ASP HA H 19 4.730 4.730 4.846 -0.116 18788 12867 1 18 . 1 1 19 19 ASP C C 19 176.800 176.800 177.716 -0.916 18788 12868 1 18 . 1 1 19 19 ASP CA C 19 53.400 53.400 53.650 -0.250 18788 12869 1 18 . 1 1 19 19 ASP CB C 19 40.100 40.100 43.230 -3.130 18788 12870 1 18 . 1 1 19 19 ASP H H 19 8.290 8.290 7.933 0.357 18788 12871 1 18 . 1 1 20 20 GLY N N 20 103.500 103.500 107.856 -4.356 18788 12872 1 18 . 1 1 20 20 GLY C C 20 173.300 173.300 174.418 -1.118 18788 12873 1 18 . 1 1 20 20 GLY CA C 20 47.700 47.700 47.493 0.207 18788 12874 1 18 . 1 1 20 20 GLY H H 20 8.460 8.460 8.698 -0.238 18788 12875 1 18 . 1 1 21 21 ASP N N 21 111.200 111.200 120.729 -9.529 18788 12876 1 18 . 1 1 21 21 ASP HA H 21 4.850 4.850 4.908 -0.058 18788 12877 1 18 . 1 1 21 21 ASP C C 21 175.300 175.300 174.468 0.832 18788 12878 1 18 . 1 1 21 21 ASP CA C 21 52.100 52.100 52.646 -0.546 18788 12879 1 18 . 1 1 21 21 ASP CB C 21 40.600 40.600 40.423 0.177 18788 12880 1 18 . 1 1 21 21 ASP H H 21 7.640 7.640 8.263 -0.623 18788 12881 1 18 . 1 1 22 22 THR N N 22 113.200 113.200 115.638 -2.438 18788 12882 1 18 . 1 1 22 22 THR HA H 22 5.700 5.700 5.665 0.035 18788 12883 1 18 . 1 1 22 22 THR C C 22 174.000 174.000 173.088 0.912 18788 12884 1 18 . 1 1 22 22 THR CA C 22 61.000 61.000 61.484 -0.484 18788 12885 1 18 . 1 1 22 22 THR CB C 22 71.800 71.800 71.419 0.381 18788 12886 1 18 . 1 1 22 22 THR H H 22 7.610 7.610 7.329 0.281 18788 12887 1 18 . 1 1 23 23 VAL N N 23 118.000 118.000 119.203 -1.203 18788 12888 1 18 . 1 1 23 23 VAL HA H 23 4.620 4.620 4.977 -0.357 18788 12889 1 18 . 1 1 23 23 VAL C C 23 172.100 172.100 173.157 -1.057 18788 12890 1 18 . 1 1 23 23 VAL CA C 23 60.100 60.100 59.353 0.747 18788 12891 1 18 . 1 1 23 23 VAL CB C 23 36.200 36.200 35.571 0.629 18788 12892 1 18 . 1 1 23 23 VAL H H 23 8.910 8.910 8.497 0.413 18788 12893 1 18 . 1 1 24 24 LYS N N 24 127.000 127.000 124.574 2.426 18788 12894 1 18 . 1 1 24 24 LYS HA H 24 5.440 5.440 5.388 0.052 18788 12895 1 18 . 1 1 24 24 LYS C C 24 175.200 175.200 175.171 0.029 18788 12896 1 18 . 1 1 24 24 LYS CA C 24 55.600 55.600 54.825 0.775 18788 12897 1 18 . 1 1 24 24 LYS CB C 24 34.400 34.400 34.493 -0.093 18788 12898 1 18 . 1 1 24 24 LYS H H 24 9.470 9.470 9.067 0.403 18788 12899 1 18 . 1 1 25 25 LEU N N 25 127.000 127.000 122.790 4.210 18788 12900 1 18 . 1 1 25 25 LEU HA H 25 5.210 5.210 5.024 0.186 18788 12901 1 18 . 1 1 25 25 LEU C C 25 174.500 174.500 174.936 -0.436 18788 12902 1 18 . 1 1 25 25 LEU CA C 25 53.100 53.100 52.795 0.305 18788 12903 1 18 . 1 1 25 25 LEU CB C 25 45.500 45.500 45.025 0.475 18788 12904 1 18 . 1 1 25 25 LEU H H 25 9.380 9.380 8.953 0.427 18788 12905 1 18 . 1 1 26 26 MET N N 26 122.000 122.000 120.190 1.810 18788 12906 1 18 . 1 1 26 26 MET HA H 26 4.880 4.880 4.933 -0.053 18788 12907 1 18 . 1 1 26 26 MET C C 26 175.100 175.100 174.610 0.490 18788 12908 1 18 . 1 1 26 26 MET CA C 26 54.700 54.700 55.255 -0.555 18788 12909 1 18 . 1 1 26 26 MET CB C 26 31.400 31.400 33.151 -1.752 18788 12910 1 18 . 1 1 26 26 MET H H 26 9.530 9.530 8.939 0.591 18788 12911 1 18 . 1 1 27 27 TYR N N 27 129.600 129.600 129.982 -0.382 18788 12912 1 18 . 1 1 27 27 TYR HA H 27 5.050 5.050 4.854 0.197 18788 12913 1 18 . 1 1 27 27 TYR C C 27 173.900 173.900 175.043 -1.143 18788 12914 1 18 . 1 1 27 27 TYR CA C 27 57.000 57.000 56.484 0.516 18788 12915 1 18 . 1 1 27 27 TYR CB C 27 41.700 41.700 39.327 2.373 18788 12916 1 18 . 1 1 27 27 TYR H H 27 9.040 9.040 9.393 -0.353 18788 12917 1 18 . 1 1 28 28 LYS N N 28 127.600 127.600 128.329 -0.729 18788 12918 1 18 . 1 1 28 28 LYS HA H 28 3.590 3.590 3.782 -0.192 18788 12919 1 18 . 1 1 28 28 LYS C C 28 176.900 176.900 175.932 0.968 18788 12920 1 18 . 1 1 28 28 LYS CA C 28 57.100 57.100 57.074 0.026 18788 12921 1 18 . 1 1 28 28 LYS CB C 28 29.700 29.700 30.361 -0.661 18788 12922 1 18 . 1 1 28 28 LYS H H 28 9.310 9.310 9.195 0.115 18788 12923 1 18 . 1 1 29 29 GLY N N 29 102.400 102.400 102.450 -0.050 18788 12924 1 18 . 1 1 29 29 GLY C C 29 173.600 173.600 174.337 -0.737 18788 12925 1 18 . 1 1 29 29 GLY CA C 29 45.600 45.600 44.896 0.704 18788 12926 1 18 . 1 1 29 29 GLY H H 29 8.450 8.450 8.535 -0.085 18788 12927 1 18 . 1 1 30 30 GLN N N 30 119.300 119.300 120.008 -0.708 18788 12928 1 18 . 1 1 30 30 GLN HA H 30 5.030 5.030 4.905 0.125 18788 12929 1 18 . 1 1 30 30 GLN C C 30 173.200 173.200 173.425 -0.225 18788 12930 1 18 . 1 1 30 30 GLN CA C 30 52.200 52.200 52.056 0.144 18788 12931 1 18 . 1 1 30 30 GLN CB C 30 31.200 31.200 29.457 1.743 18788 12932 1 18 . 1 1 30 30 GLN H H 30 7.820 7.820 7.769 0.051 18788 12933 1 18 . 1 1 31 31 PRO HA H 31 4.880 4.880 4.728 0.152 18788 12934 1 18 . 1 1 31 31 PRO C C 31 177.400 177.400 175.928 1.472 18788 12935 1 18 . 1 1 31 31 PRO CA C 31 62.600 62.600 63.216 -0.616 18788 12936 1 18 . 1 1 31 31 PRO CB C 31 31.900 31.900 31.721 0.179 18788 12937 1 18 . 1 1 32 32 MET N N 32 125.700 125.700 125.942 -0.242 18788 12938 1 18 . 1 1 32 32 MET HA H 32 4.670 4.670 4.885 -0.215 18788 12939 1 18 . 1 1 32 32 MET C C 32 174.600 174.600 174.139 0.461 18788 12940 1 18 . 1 1 32 32 MET CA C 32 55.800 55.800 54.801 0.999 18788 12941 1 18 . 1 1 32 32 MET CB C 32 37.200 37.200 37.523 -0.323 18788 12942 1 18 . 1 1 32 32 MET H H 32 9.570 9.570 9.336 0.234 18788 12943 1 18 . 1 1 33 33 THR N N 33 123.600 123.600 121.663 1.937 18788 12944 1 18 . 1 1 33 33 THR HA H 33 4.510 4.510 5.080 -0.570 18788 12945 1 18 . 1 1 33 33 THR C C 33 173.100 173.100 174.152 -1.052 18788 12946 1 18 . 1 1 33 33 THR CA C 33 64.300 64.300 62.247 2.053 18788 12947 1 18 . 1 1 33 33 THR CB C 33 68.800 68.800 69.464 -0.664 18788 12948 1 18 . 1 1 33 33 THR H H 33 8.990 8.990 8.827 0.163 18788 12949 1 18 . 1 1 34 34 PHE N N 34 126.100 126.100 127.186 -1.086 18788 12950 1 18 . 1 1 34 34 PHE HA H 34 4.890 4.890 5.014 -0.124 18788 12951 1 18 . 1 1 34 34 PHE C C 34 173.400 173.400 173.966 -0.566 18788 12952 1 18 . 1 1 34 34 PHE CA C 34 57.300 57.300 56.880 0.420 18788 12953 1 18 . 1 1 34 34 PHE CB C 34 41.900 41.900 40.505 1.395 18788 12954 1 18 . 1 1 34 34 PHE H H 34 9.610 9.610 9.492 0.118 18788 12955 1 18 . 1 1 35 35 ARG N N 35 124.200 124.200 124.412 -0.212 18788 12956 1 18 . 1 1 35 35 ARG HA H 35 5.080 5.080 5.598 -0.518 18788 12957 1 18 . 1 1 35 35 ARG C C 35 174.600 174.600 175.179 -0.579 18788 12958 1 18 . 1 1 35 35 ARG CA C 35 52.100 52.100 54.582 -2.482 18788 12959 1 18 . 1 1 35 35 ARG CB C 35 33.600 33.600 34.308 -0.708 18788 12960 1 18 . 1 1 35 35 ARG H H 35 9.640 9.640 8.029 1.611 18788 12961 1 18 . 1 1 38 38 LEU HA H 38 4.330 4.330 4.588 -0.258 18788 12962 1 18 . 1 1 38 38 LEU C C 38 175.200 175.200 175.812 -0.612 18788 12963 1 18 . 1 1 38 38 LEU CA C 38 56.600 56.600 53.975 2.625 18788 12964 1 18 . 1 1 38 38 LEU CB C 38 40.100 40.100 42.243 -2.143 18788 12965 1 18 . 1 1 39 39 VAL N N 39 104.500 104.500 112.665 -8.165 18788 12966 1 18 . 1 1 39 39 VAL HA H 39 5.580 5.580 4.797 0.783 18788 12967 1 18 . 1 1 39 39 VAL C C 39 175.600 175.600 174.278 1.322 18788 12968 1 18 . 1 1 39 39 VAL CA C 39 57.800 57.800 58.787 -0.987 18788 12969 1 18 . 1 1 39 39 VAL CB C 39 36.400 36.400 35.399 1.001 18788 12970 1 18 . 1 1 39 39 VAL H H 39 6.920 6.920 7.101 -0.181 18788 12971 1 18 . 1 1 40 40 ASP N N 40 121.500 121.500 123.483 -1.983 18788 12972 1 18 . 1 1 40 40 ASP HA H 40 5.260 5.260 4.512 0.748 18788 12973 1 18 . 1 1 40 40 ASP C C 40 174.600 174.600 174.994 -0.394 18788 12974 1 18 . 1 1 40 40 ASP CA C 40 54.100 54.100 52.587 1.514 18788 12975 1 18 . 1 1 40 40 ASP CB C 40 44.100 44.100 42.232 1.868 18788 12976 1 18 . 1 1 40 40 ASP H H 40 8.880 8.880 8.906 -0.026 18788 12977 1 18 . 1 1 41 41 THR N N 41 118.700 118.700 117.213 1.487 18788 12978 1 18 . 1 1 41 41 THR HA H 41 5.020 5.020 4.817 0.203 18788 12979 1 18 . 1 1 41 41 THR CA C 41 58.300 58.300 58.761 -0.461 18788 12980 1 18 . 1 1 41 41 THR CB C 41 68.900 68.900 69.442 -0.542 18788 12981 1 18 . 1 1 41 41 THR H H 41 8.520 8.520 8.143 0.377 18788 12982 1 18 . 1 1 42 42 PRO HA H 42 4.440 4.440 4.766 -0.326 18788 12983 1 18 . 1 1 42 42 PRO CA C 42 62.200 62.200 62.674 -0.474 18788 12984 1 18 . 1 1 42 42 PRO CB C 42 32.300 32.300 31.566 0.734 18788 12985 1 18 . 1 1 50 50 GLY C C 50 179.800 179.800 175.163 4.637 18788 12986 1 18 . 1 1 51 51 VAL N N 51 119.200 119.200 117.254 1.946 18788 12987 1 18 . 1 1 51 51 VAL HA H 51 4.160 4.160 4.021 0.139 18788 12988 1 18 . 1 1 51 51 VAL C C 51 178.600 178.600 175.693 2.907 18788 12989 1 18 . 1 1 51 51 VAL CA C 51 63.500 63.500 63.179 0.321 18788 12990 1 18 . 1 1 51 51 VAL H H 51 7.820 7.820 7.903 -0.083 18788 12991 1 18 . 1 1 54 54 TYR C C 54 176.300 176.300 175.904 0.396 18788 12992 1 18 . 1 1 55 55 GLY N N 55 108.900 108.900 116.327 -7.427 18788 12993 1 18 . 1 1 55 55 GLY C C 55 174.300 174.300 172.622 1.678 18788 12994 1 18 . 1 1 55 55 GLY CA C 55 48.400 48.400 42.258 6.142 18788 12995 1 18 . 1 1 55 55 GLY H H 55 8.810 8.810 7.987 0.823 18788 12996 1 18 . 1 1 57 57 GLU HA H 57 4.010 4.010 4.072 -0.062 18788 12997 1 18 . 1 1 57 57 GLU C C 57 179.500 179.500 177.358 2.142 18788 12998 1 18 . 1 1 57 57 GLU CA C 57 61.700 61.700 58.505 3.195 18788 12999 1 18 . 1 1 58 58 ALA N N 58 125.000 125.000 121.699 3.301 18788 13000 1 18 . 1 1 58 58 ALA HA H 58 4.170 4.170 4.054 0.116 18788 13001 1 18 . 1 1 58 58 ALA C C 58 178.700 178.700 179.532 -0.832 18788 13002 1 18 . 1 1 58 58 ALA CA C 58 55.800 55.800 55.364 0.436 18788 13003 1 18 . 1 1 58 58 ALA CB C 58 18.200 18.200 17.971 0.229 18788 13004 1 18 . 1 1 58 58 ALA H H 58 8.940 8.940 7.585 1.355 18788 13005 1 18 . 1 1 59 59 SER N N 59 111.900 111.900 114.390 -2.490 18788 13006 1 18 . 1 1 59 59 SER HA H 59 3.740 3.740 4.329 -0.589 18788 13007 1 18 . 1 1 59 59 SER C C 59 177.100 177.100 176.416 0.684 18788 13008 1 18 . 1 1 59 59 SER CA C 59 62.000 62.000 60.744 1.256 18788 13009 1 18 . 1 1 59 59 SER CB C 59 62.900 62.900 62.989 -0.089 18788 13010 1 18 . 1 1 59 59 SER H H 59 8.340 8.340 7.987 0.353 18788 13011 1 18 . 1 1 60 60 ALA N N 60 122.900 122.900 124.556 -1.656 18788 13012 1 18 . 1 1 60 60 ALA HA H 60 4.070 4.070 4.207 -0.137 18788 13013 1 18 . 1 1 60 60 ALA C C 60 179.100 179.100 178.726 0.374 18788 13014 1 18 . 1 1 60 60 ALA CA C 60 55.100 55.100 54.345 0.755 18788 13015 1 18 . 1 1 60 60 ALA CB C 60 18.200 18.200 18.466 -0.266 18788 13016 1 18 . 1 1 60 60 ALA H H 60 8.440 8.440 7.510 0.930 18788 13017 1 18 . 1 1 61 61 PHE N N 61 121.700 121.700 120.100 1.600 18788 13018 1 18 . 1 1 61 61 PHE HA H 61 4.050 4.050 4.228 -0.178 18788 13019 1 18 . 1 1 61 61 PHE C C 61 178.100 178.100 177.211 0.889 18788 13020 1 18 . 1 1 61 61 PHE CA C 61 61.800 61.800 60.879 0.921 18788 13021 1 18 . 1 1 61 61 PHE CB C 61 39.800 39.800 39.240 0.560 18788 13022 1 18 . 1 1 61 61 PHE H H 61 8.190 8.190 8.761 -0.571 18788 13023 1 18 . 1 1 62 62 THR N N 62 120.200 120.200 115.488 4.712 18788 13024 1 18 . 1 1 62 62 THR HA H 62 3.560 3.560 3.685 -0.125 18788 13025 1 18 . 1 1 62 62 THR C C 62 175.300 175.300 176.386 -1.086 18788 13026 1 18 . 1 1 62 62 THR CA C 62 67.600 67.600 66.982 0.618 18788 13027 1 18 . 1 1 62 62 THR CB C 62 68.400 68.400 68.183 0.217 18788 13028 1 18 . 1 1 62 62 THR H H 62 8.540 8.540 8.741 -0.201 18788 13029 1 18 . 1 1 63 63 LYS N N 63 120.000 120.000 121.969 -1.969 18788 13030 1 18 . 1 1 63 63 LYS HA H 63 3.560 3.560 3.878 -0.318 18788 13031 1 18 . 1 1 63 63 LYS C C 63 176.800 176.800 178.580 -1.780 18788 13032 1 18 . 1 1 63 63 LYS CA C 63 60.400 60.400 59.773 0.627 18788 13033 1 18 . 1 1 63 63 LYS CB C 63 33.300 33.300 32.335 0.965 18788 13034 1 18 . 1 1 63 63 LYS H H 63 7.910 7.910 7.452 0.458 18788 13035 1 18 . 1 1 64 64 LYS N N 64 117.200 117.200 118.613 -1.413 18788 13036 1 18 . 1 1 64 64 LYS HA H 64 3.940 3.940 3.948 -0.008 18788 13037 1 18 . 1 1 64 64 LYS C C 64 178.700 178.700 179.455 -0.755 18788 13038 1 18 . 1 1 64 64 LYS CA C 64 59.200 59.200 59.296 -0.096 18788 13039 1 18 . 1 1 64 64 LYS CB C 64 31.900 31.900 32.225 -0.325 18788 13040 1 18 . 1 1 64 64 LYS H H 64 8.000 8.000 8.096 -0.096 18788 13041 1 18 . 1 1 65 65 MET N N 65 116.200 116.200 117.264 -1.064 18788 13042 1 18 . 1 1 65 65 MET HA H 65 3.890 3.890 4.061 -0.171 18788 13043 1 18 . 1 1 65 65 MET C C 65 179.200 179.200 178.482 0.718 18788 13044 1 18 . 1 1 65 65 MET CA C 65 59.800 59.800 57.469 2.331 18788 13045 1 18 . 1 1 65 65 MET CB C 65 32.200 32.200 31.569 0.631 18788 13046 1 18 . 1 1 65 65 MET H H 65 7.680 7.680 7.627 0.053 18788 13047 1 18 . 1 1 66 66 VAL N N 66 107.700 107.700 113.872 -6.172 18788 13048 1 18 . 1 1 66 66 VAL HA H 66 4.150 4.150 3.803 0.347 18788 13049 1 18 . 1 1 66 66 VAL C C 66 177.500 177.500 177.314 0.186 18788 13050 1 18 . 1 1 66 66 VAL CA C 66 64.300 64.300 65.140 -0.840 18788 13051 1 18 . 1 1 66 66 VAL CB C 66 31.100 31.100 30.996 0.104 18788 13052 1 18 . 1 1 66 66 VAL H H 66 8.220 8.220 8.091 0.129 18788 13053 1 18 . 1 1 67 67 GLU N N 67 121.000 121.000 117.917 3.083 18788 13054 1 18 . 1 1 67 67 GLU HA H 67 3.960 3.960 4.106 -0.146 18788 13055 1 18 . 1 1 67 67 GLU C C 67 178.000 178.000 177.586 0.414 18788 13056 1 18 . 1 1 67 67 GLU CA C 67 59.200 59.200 58.449 0.751 18788 13057 1 18 . 1 1 67 67 GLU CB C 67 29.100 29.100 29.755 -0.655 18788 13058 1 18 . 1 1 67 67 GLU H H 67 8.750 8.750 8.358 0.392 18788 13059 1 18 . 1 1 68 68 ASN N N 68 113.400 113.400 115.808 -2.408 18788 13060 1 18 . 1 1 68 68 ASN HA H 68 4.660 4.660 4.651 0.009 18788 13061 1 18 . 1 1 68 68 ASN C C 68 174.600 174.600 175.129 -0.529 18788 13062 1 18 . 1 1 68 68 ASN CA C 68 53.400 53.400 54.040 -0.640 18788 13063 1 18 . 1 1 68 68 ASN CB C 68 38.900 38.900 39.303 -0.403 18788 13064 1 18 . 1 1 68 68 ASN H H 68 7.400 7.400 7.705 -0.305 18788 13065 1 18 . 1 1 69 69 ALA N N 69 121.100 121.100 123.442 -2.342 18788 13066 1 18 . 1 1 69 69 ALA HA H 69 4.490 4.490 4.116 0.374 18788 13067 1 18 . 1 1 69 69 ALA C C 69 177.800 177.800 177.369 0.431 18788 13068 1 18 . 1 1 69 69 ALA CA C 69 51.400 51.400 52.880 -1.480 18788 13069 1 18 . 1 1 69 69 ALA CB C 69 19.200 19.200 18.982 0.218 18788 13070 1 18 . 1 1 69 69 ALA H H 69 6.680 6.680 7.377 -0.697 18788 13071 1 18 . 1 1 70 70 LYS N N 70 125.700 125.700 122.650 3.050 18788 13072 1 18 . 1 1 70 70 LYS HA H 70 4.370 4.370 4.123 0.247 18788 13073 1 18 . 1 1 70 70 LYS C C 70 177.800 177.800 176.822 0.978 18788 13074 1 18 . 1 1 70 70 LYS CA C 70 57.800 57.800 57.578 0.222 18788 13075 1 18 . 1 1 70 70 LYS CB C 70 32.000 32.000 32.859 -0.859 18788 13076 1 18 . 1 1 70 70 LYS H H 70 10.130 10.130 8.563 1.567 18788 13077 1 18 . 1 1 71 71 LYS N N 71 121.300 121.300 114.627 6.673 18788 13078 1 18 . 1 1 71 71 LYS HA H 71 4.660 4.660 4.572 0.088 18788 13079 1 18 . 1 1 71 71 LYS C C 71 174.600 174.600 174.492 0.108 18788 13080 1 18 . 1 1 71 71 LYS CA C 71 55.500 55.500 54.577 0.923 18788 13081 1 18 . 1 1 71 71 LYS CB C 71 35.400 35.400 34.887 0.513 18788 13082 1 18 . 1 1 71 71 LYS H H 71 8.920 8.920 7.542 1.378 18788 13083 1 18 . 1 1 72 72 ILE N N 72 128.900 128.900 124.910 3.990 18788 13084 1 18 . 1 1 72 72 ILE HA H 72 5.240 5.240 4.792 0.448 18788 13085 1 18 . 1 1 72 72 ILE C C 72 175.300 175.300 175.090 0.210 18788 13086 1 18 . 1 1 72 72 ILE CA C 72 58.700 58.700 60.591 -1.891 18788 13087 1 18 . 1 1 72 72 ILE CB C 72 38.100 38.100 39.454 -1.354 18788 13088 1 18 . 1 1 72 72 ILE H H 72 8.960 8.960 8.251 0.709 18788 13089 1 18 . 1 1 73 73 GLU N N 73 123.100 123.100 126.275 -3.175 18788 13090 1 18 . 1 1 73 73 GLU HA H 73 5.240 5.240 5.345 -0.105 18788 13091 1 18 . 1 1 73 73 GLU C C 73 174.900 174.900 175.498 -0.598 18788 13092 1 18 . 1 1 73 73 GLU CA C 73 53.600 53.600 54.408 -0.808 18788 13093 1 18 . 1 1 73 73 GLU CB C 73 36.200 36.200 33.555 2.645 18788 13094 1 18 . 1 1 73 73 GLU H H 73 8.810 8.810 9.231 -0.421 18788 13095 1 18 . 1 1 74 74 VAL N N 74 117.300 117.300 117.931 -0.631 18788 13096 1 18 . 1 1 74 74 VAL HA H 74 4.550 4.550 4.792 -0.242 18788 13097 1 18 . 1 1 74 74 VAL C C 74 174.000 174.000 174.236 -0.236 18788 13098 1 18 . 1 1 74 74 VAL CA C 74 59.500 59.500 59.455 0.046 18788 13099 1 18 . 1 1 74 74 VAL CB C 74 34.200 34.200 33.449 0.751 18788 13100 1 18 . 1 1 74 74 VAL H H 74 9.510 9.510 8.950 0.560 18788 13101 1 18 . 1 1 75 75 GLU N N 75 126.900 126.900 127.605 -0.705 18788 13102 1 18 . 1 1 75 75 GLU HA H 75 5.160 5.160 5.175 -0.015 18788 13103 1 18 . 1 1 75 75 GLU C C 75 175.600 175.600 175.674 -0.074 18788 13104 1 18 . 1 1 75 75 GLU CA C 75 54.500 54.500 53.680 0.820 18788 13105 1 18 . 1 1 75 75 GLU CB C 75 35.900 35.900 32.508 3.392 18788 13106 1 18 . 1 1 75 75 GLU H H 75 8.860 8.860 9.052 -0.192 18788 13107 1 18 . 1 1 76 76 PHE N N 76 126.400 126.400 127.129 -0.729 18788 13108 1 18 . 1 1 76 76 PHE HA H 76 4.740 4.740 4.828 -0.088 18788 13109 1 18 . 1 1 76 76 PHE C C 76 175.600 175.600 175.916 -0.316 18788 13110 1 18 . 1 1 76 76 PHE CA C 76 59.500 59.500 58.778 0.722 18788 13111 1 18 . 1 1 76 76 PHE CB C 76 39.700 39.700 39.799 -0.099 18788 13112 1 18 . 1 1 76 76 PHE H H 76 8.770 8.770 8.294 0.476 18788 13113 1 18 . 1 1 77 77 ASP N N 77 123.000 123.000 122.868 0.132 18788 13114 1 18 . 1 1 77 77 ASP HA H 77 5.310 5.310 4.982 0.328 18788 13115 1 18 . 1 1 77 77 ASP C C 77 177.600 177.600 176.956 0.644 18788 13116 1 18 . 1 1 77 77 ASP CA C 77 51.800 51.800 53.947 -2.147 18788 13117 1 18 . 1 1 77 77 ASP CB C 77 42.900 42.900 43.689 -0.789 18788 13118 1 18 . 1 1 77 77 ASP H H 77 9.310 9.310 8.816 0.494 18788 13119 1 18 . 1 1 78 78 LYS N N 78 119.100 119.100 118.199 0.901 18788 13120 1 18 . 1 1 78 78 LYS HA H 78 4.240 4.240 4.527 -0.287 18788 13121 1 18 . 1 1 78 78 LYS C C 78 177.100 177.100 177.186 -0.086 18788 13122 1 18 . 1 1 78 78 LYS CA C 78 57.700 57.700 57.746 -0.046 18788 13123 1 18 . 1 1 78 78 LYS CB C 78 33.400 33.400 32.620 0.780 18788 13124 1 18 . 1 1 78 78 LYS H H 78 10.360 10.360 8.644 1.716 18788 13125 1 18 . 1 1 79 79 GLY N N 79 111.100 111.100 108.219 2.881 18788 13126 1 18 . 1 1 79 79 GLY C C 79 173.600 173.600 174.018 -0.418 18788 13127 1 18 . 1 1 79 79 GLY CA C 79 44.500 44.500 44.251 0.249 18788 13128 1 18 . 1 1 79 79 GLY H H 79 8.680 8.680 7.850 0.830 18788 13129 1 18 . 1 1 80 80 GLN N N 80 124.800 124.800 120.935 3.865 18788 13130 1 18 . 1 1 80 80 GLN HA H 80 4.140 4.140 4.488 -0.348 18788 13131 1 18 . 1 1 80 80 GLN C C 80 176.900 176.900 175.948 0.952 18788 13132 1 18 . 1 1 80 80 GLN CA C 80 57.200 57.200 55.767 1.433 18788 13133 1 18 . 1 1 80 80 GLN CB C 80 29.200 29.200 30.338 -1.138 18788 13134 1 18 . 1 1 80 80 GLN H H 80 8.800 8.800 8.972 -0.172 18788 13135 1 18 . 1 1 81 81 ARG N N 81 120.700 120.700 122.247 -1.547 18788 13136 1 18 . 1 1 81 81 ARG HA H 81 4.620 4.620 4.192 0.428 18788 13137 1 18 . 1 1 81 81 ARG C C 81 176.200 176.200 175.386 0.814 18788 13138 1 18 . 1 1 81 81 ARG CA C 81 57.500 57.500 58.627 -1.127 18788 13139 1 18 . 1 1 81 81 ARG CB C 81 32.000 32.000 31.117 0.883 18788 13140 1 18 . 1 1 81 81 ARG H H 81 8.640 8.640 8.689 -0.049 18788 13141 1 18 . 1 1 82 82 THR N N 82 107.900 107.900 107.655 0.245 18788 13142 1 18 . 1 1 82 82 THR HA H 82 5.540 5.540 4.868 0.672 18788 13143 1 18 . 1 1 82 82 THR C C 82 174.600 174.600 173.715 0.885 18788 13144 1 18 . 1 1 82 82 THR CA C 82 58.400 58.400 60.075 -1.675 18788 13145 1 18 . 1 1 82 82 THR CB C 82 72.500 72.500 71.510 0.991 18788 13146 1 18 . 1 1 82 82 THR H H 82 7.300 7.300 7.390 -0.090 18788 13147 1 18 . 1 1 83 83 ASP N N 83 121.300 121.300 122.694 -1.394 18788 13148 1 18 . 1 1 83 83 ASP HA H 83 4.660 4.660 4.667 -0.007 18788 13149 1 18 . 1 1 83 83 ASP C C 83 179.000 179.000 177.679 1.321 18788 13150 1 18 . 1 1 83 83 ASP CA C 83 51.700 51.700 53.209 -1.509 18788 13151 1 18 . 1 1 83 83 ASP CB C 83 42.100 42.100 43.086 -0.986 18788 13152 1 18 . 1 1 83 83 ASP H H 83 8.590 8.590 8.824 -0.234 18788 13153 1 18 . 1 1 85 85 TYR N N 85 119.300 119.300 117.412 1.888 18788 13154 1 18 . 1 1 85 85 TYR HA H 85 4.600 4.600 4.411 0.189 18788 13155 1 18 . 1 1 85 85 TYR C C 85 176.100 176.100 175.775 0.325 18788 13156 1 18 . 1 1 85 85 TYR CA C 85 57.100 57.100 58.175 -1.075 18788 13157 1 18 . 1 1 85 85 TYR CB C 85 37.900 37.900 38.495 -0.595 18788 13158 1 18 . 1 1 85 85 TYR H H 85 7.650 7.650 8.480 -0.830 18788 13159 1 18 . 1 1 86 86 GLY N N 86 108.500 108.500 106.354 2.146 18788 13160 1 18 . 1 1 86 86 GLY C C 86 174.400 174.400 174.168 0.232 18788 13161 1 18 . 1 1 86 86 GLY CA C 86 45.400 45.400 44.954 0.446 18788 13162 1 18 . 1 1 86 86 GLY H H 86 8.120 8.120 7.851 0.269 18788 13163 1 18 . 1 1 87 87 ARG N N 87 121.600 121.600 120.489 1.111 18788 13164 1 18 . 1 1 87 87 ARG HA H 87 4.430 4.430 4.831 -0.401 18788 13165 1 18 . 1 1 87 87 ARG C C 87 177.000 177.000 176.888 0.112 18788 13166 1 18 . 1 1 87 87 ARG CA C 87 55.300 55.300 53.752 1.548 18788 13167 1 18 . 1 1 87 87 ARG CB C 87 30.000 30.000 29.720 0.280 18788 13168 1 18 . 1 1 87 87 ARG H H 87 8.600 8.600 7.632 0.968 18788 13169 1 18 . 1 1 88 88 GLY N N 88 108.000 108.000 110.471 -2.471 18788 13170 1 18 . 1 1 88 88 GLY C C 88 171.800 171.800 172.710 -0.910 18788 13171 1 18 . 1 1 88 88 GLY CA C 88 44.800 44.800 44.217 0.583 18788 13172 1 18 . 1 1 88 88 GLY H H 88 8.780 8.780 8.363 0.417 18788 13173 1 18 . 1 1 89 89 LEU N N 89 125.100 125.100 125.713 -0.613 18788 13174 1 18 . 1 1 89 89 LEU HA H 89 5.190 5.190 4.536 0.654 18788 13175 1 18 . 1 1 89 89 LEU C C 89 174.800 174.800 174.878 -0.078 18788 13176 1 18 . 1 1 89 89 LEU CA C 89 52.800 52.800 53.862 -1.062 18788 13177 1 18 . 1 1 89 89 LEU CB C 89 42.900 42.900 41.067 1.833 18788 13178 1 18 . 1 1 89 89 LEU H H 89 8.220 8.220 8.454 -0.234 18788 13179 1 18 . 1 1 90 90 ALA N N 90 119.900 119.900 123.946 -4.046 18788 13180 1 18 . 1 1 90 90 ALA HA H 90 4.790 4.790 4.659 0.131 18788 13181 1 18 . 1 1 90 90 ALA C C 90 177.000 177.000 175.721 1.279 18788 13182 1 18 . 1 1 90 90 ALA CA C 90 50.800 50.800 50.505 0.295 18788 13183 1 18 . 1 1 90 90 ALA CB C 90 23.700 23.700 22.215 1.485 18788 13184 1 18 . 1 1 90 90 ALA H H 90 7.400 7.400 7.779 -0.379 18788 13185 1 18 . 1 1 91 91 TYR N N 91 122.400 122.400 119.411 2.989 18788 13186 1 18 . 1 1 91 91 TYR HA H 91 4.650 4.650 4.529 0.121 18788 13187 1 18 . 1 1 91 91 TYR C C 91 174.600 174.600 175.739 -1.139 18788 13188 1 18 . 1 1 91 91 TYR CA C 91 57.200 57.200 58.093 -0.893 18788 13189 1 18 . 1 1 91 91 TYR CB C 91 37.600 37.600 38.700 -1.099 18788 13190 1 18 . 1 1 91 91 TYR H H 91 9.000 9.000 8.798 0.202 18788 13191 1 18 . 1 1 92 92 ILE N N 92 122.200 122.200 124.918 -2.718 18788 13192 1 18 . 1 1 92 92 ILE HA H 92 4.950 4.950 4.508 0.442 18788 13193 1 18 . 1 1 92 92 ILE C C 92 173.700 173.700 175.199 -1.499 18788 13194 1 18 . 1 1 92 92 ILE CA C 92 58.700 58.700 60.698 -1.998 18788 13195 1 18 . 1 1 92 92 ILE CB C 92 38.900 38.900 38.778 0.122 18788 13196 1 18 . 1 1 92 92 ILE H H 92 7.830 7.830 9.231 -1.401 18788 13197 1 18 . 1 1 93 93 TYR N N 93 126.200 126.200 127.703 -1.503 18788 13198 1 18 . 1 1 93 93 TYR HA H 93 5.080 5.080 5.011 0.069 18788 13199 1 18 . 1 1 93 93 TYR C C 93 173.900 173.900 174.612 -0.712 18788 13200 1 18 . 1 1 93 93 TYR CA C 93 56.500 56.500 56.075 0.425 18788 13201 1 18 . 1 1 93 93 TYR CB C 93 41.500 41.500 40.503 0.997 18788 13202 1 18 . 1 1 93 93 TYR H H 93 9.540 9.540 9.453 0.087 18788 13203 1 18 . 1 1 94 94 ALA N N 94 125.700 125.700 126.078 -0.378 18788 13204 1 18 . 1 1 94 94 ALA HA H 94 4.960 4.960 4.476 0.484 18788 13205 1 18 . 1 1 94 94 ALA C C 94 175.700 175.700 176.972 -1.272 18788 13206 1 18 . 1 1 94 94 ALA CA C 94 49.700 49.700 50.347 -0.647 18788 13207 1 18 . 1 1 94 94 ALA CB C 94 20.900 20.900 19.295 1.605 18788 13208 1 18 . 1 1 94 94 ALA H H 94 9.230 9.230 9.178 0.052 18788 13209 1 18 . 1 1 95 95 ASP N N 95 127.600 127.600 126.771 0.829 18788 13210 1 18 . 1 1 95 95 ASP HA H 95 4.430 4.430 4.285 0.145 18788 13211 1 18 . 1 1 95 95 ASP C C 95 176.100 176.100 176.549 -0.449 18788 13212 1 18 . 1 1 95 95 ASP CA C 95 56.500 56.500 55.418 1.082 18788 13213 1 18 . 1 1 95 95 ASP CB C 95 39.500 39.500 39.984 -0.484 18788 13214 1 18 . 1 1 95 95 ASP H H 95 9.720 9.720 9.105 0.615 18788 13215 1 18 . 1 1 96 96 GLY N N 96 103.000 103.000 105.800 -2.800 18788 13216 1 18 . 1 1 96 96 GLY C C 96 173.800 173.800 174.202 -0.402 18788 13217 1 18 . 1 1 96 96 GLY CA C 96 45.400 45.400 45.612 -0.212 18788 13218 1 18 . 1 1 96 96 GLY H H 96 9.420 9.420 8.716 0.704 18788 13219 1 18 . 1 1 97 97 LYS N N 97 121.400 121.400 122.500 -1.100 18788 13220 1 18 . 1 1 97 97 LYS HA H 97 4.670 4.670 4.640 0.030 18788 13221 1 18 . 1 1 97 97 LYS C C 97 176.000 176.000 175.427 0.573 18788 13222 1 18 . 1 1 97 97 LYS CA C 97 54.200 54.200 54.707 -0.507 18788 13223 1 18 . 1 1 97 97 LYS CB C 97 33.100 33.100 33.356 -0.256 18788 13224 1 18 . 1 1 97 97 LYS H H 97 7.870 7.870 7.822 0.048 18788 13225 1 18 . 1 1 98 98 MET N N 98 127.000 127.000 127.175 -0.175 18788 13226 1 18 . 1 1 98 98 MET HA H 98 3.780 3.780 3.867 -0.087 18788 13227 1 18 . 1 1 98 98 MET C C 98 177.700 177.700 176.794 0.906 18788 13228 1 18 . 1 1 98 98 MET CA C 98 56.100 56.100 56.230 -0.130 18788 13229 1 18 . 1 1 98 98 MET CB C 98 34.700 34.700 31.987 2.713 18788 13230 1 18 . 1 1 98 98 MET H H 98 9.280 9.280 9.108 0.172 18788 13231 1 18 . 1 1 99 99 VAL N N 99 103.700 103.700 127.591 -23.891 18788 13232 1 18 . 1 1 99 99 VAL HA H 99 3.730 3.730 3.371 0.359 18788 13233 1 18 . 1 1 99 99 VAL C C 99 177.200 177.200 177.125 0.075 18788 13234 1 18 . 1 1 99 99 VAL CA C 99 66.100 66.100 66.529 -0.429 18788 13235 1 18 . 1 1 99 99 VAL CB C 99 32.400 32.400 31.402 0.998 18788 13236 1 18 . 1 1 99 99 VAL H H 99 10.190 10.190 9.102 1.088 18788 13237 1 18 . 1 1 100 100 ASN N N 100 108.600 108.600 117.959 -9.359 18788 13238 1 18 . 1 1 100 100 ASN HA H 100 4.080 4.080 4.276 -0.196 18788 13239 1 18 . 1 1 100 100 ASN C C 100 174.200 174.200 177.182 -2.982 18788 13240 1 18 . 1 1 100 100 ASN CA C 100 57.200 57.200 57.293 -0.093 18788 13241 1 18 . 1 1 100 100 ASN CB C 100 34.700 34.700 37.711 -3.011 18788 13242 1 18 . 1 1 100 100 ASN H H 100 9.670 9.670 7.729 1.941 18788 13243 1 18 . 1 1 101 101 GLU N N 101 112.800 112.800 120.612 -7.812 18788 13244 1 18 . 1 1 101 101 GLU HA H 101 3.660 3.660 3.978 -0.318 18788 13245 1 18 . 1 1 101 101 GLU C C 101 176.100 176.100 177.897 -1.797 18788 13246 1 18 . 1 1 101 101 GLU CA C 101 59.800 59.800 59.622 0.178 18788 13247 1 18 . 1 1 101 101 GLU CB C 101 30.200 30.200 29.341 0.859 18788 13248 1 18 . 1 1 101 101 GLU H H 101 6.150 6.150 8.156 -2.006 18788 13249 1 18 . 1 1 102 102 ALA N N 102 122.600 122.600 123.004 -0.404 18788 13250 1 18 . 1 1 102 102 ALA HA H 102 4.070 4.070 4.086 -0.016 18788 13251 1 18 . 1 1 102 102 ALA C C 102 179.800 179.800 180.036 -0.236 18788 13252 1 18 . 1 1 102 102 ALA CA C 102 55.300 55.300 55.419 -0.119 18788 13253 1 18 . 1 1 102 102 ALA CB C 102 17.900 17.900 18.435 -0.535 18788 13254 1 18 . 1 1 102 102 ALA H H 102 7.810 7.810 7.851 -0.041 18788 13255 1 18 . 1 1 103 103 LEU N N 103 116.100 116.100 118.995 -2.895 18788 13256 1 18 . 1 1 103 103 LEU HA H 103 3.280 3.280 4.051 -0.771 18788 13257 1 18 . 1 1 103 103 LEU C C 103 178.900 178.900 179.150 -0.250 18788 13258 1 18 . 1 1 103 103 LEU CA C 103 57.800 57.800 58.111 -0.311 18788 13259 1 18 . 1 1 103 103 LEU CB C 103 45.500 45.500 41.555 3.945 18788 13260 1 18 . 1 1 103 103 LEU H H 103 8.070 8.070 8.570 -0.500 18788 13261 1 18 . 1 1 104 104 VAL N N 104 116.600 116.600 119.092 -2.492 18788 13262 1 18 . 1 1 104 104 VAL HA H 104 3.870 3.870 4.011 -0.141 18788 13263 1 18 . 1 1 104 104 VAL C C 104 180.300 180.300 179.365 0.935 18788 13264 1 18 . 1 1 104 104 VAL CA C 104 65.000 65.000 66.241 -1.241 18788 13265 1 18 . 1 1 104 104 VAL CB C 104 32.000 32.000 31.471 0.529 18788 13266 1 18 . 1 1 104 104 VAL H H 104 6.890 6.890 7.805 -0.915 18788 13267 1 18 . 1 1 105 105 ARG N N 105 122.400 122.400 120.413 1.987 18788 13268 1 18 . 1 1 105 105 ARG HA H 105 4.130 4.130 4.212 -0.082 18788 13269 1 18 . 1 1 105 105 ARG C C 105 176.000 176.000 177.892 -1.892 18788 13270 1 18 . 1 1 105 105 ARG CA C 105 57.000 57.000 59.180 -2.180 18788 13271 1 18 . 1 1 105 105 ARG CB C 105 28.300 28.300 30.332 -2.032 18788 13272 1 18 . 1 1 105 105 ARG H H 105 9.140 9.140 8.453 0.687 18788 13273 1 18 . 1 1 106 106 GLN N N 106 112.000 112.000 115.566 -3.566 18788 13274 1 18 . 1 1 106 106 GLN HA H 106 4.320 4.320 4.249 0.071 18788 13275 1 18 . 1 1 106 106 GLN C C 106 175.600 175.600 175.582 0.018 18788 13276 1 18 . 1 1 106 106 GLN CA C 106 53.800 53.800 54.683 -0.883 18788 13277 1 18 . 1 1 106 106 GLN CB C 106 28.300 28.300 28.792 -0.492 18788 13278 1 18 . 1 1 106 106 GLN H H 106 7.120 7.120 8.084 -0.964 18788 13279 1 18 . 1 1 107 107 GLY N N 107 107.100 107.100 106.571 0.529 18788 13280 1 18 . 1 1 107 107 GLY C C 107 172.400 172.400 174.230 -1.830 18788 13281 1 18 . 1 1 107 107 GLY CA C 107 46.300 46.300 46.166 0.134 18788 13282 1 18 . 1 1 107 107 GLY H H 107 8.080 8.080 7.858 0.222 18788 13283 1 18 . 1 1 108 108 LEU N N 108 115.100 115.100 116.916 -1.816 18788 13284 1 18 . 1 1 108 108 LEU HA H 108 4.300 4.300 4.548 -0.248 18788 13285 1 18 . 1 1 108 108 LEU C C 108 172.500 172.500 174.959 -2.459 18788 13286 1 18 . 1 1 108 108 LEU CA C 108 53.300 53.300 53.940 -0.640 18788 13287 1 18 . 1 1 108 108 LEU CB C 108 43.500 43.500 43.046 0.454 18788 13288 1 18 . 1 1 108 108 LEU H H 108 7.810 7.810 8.455 -0.645 18788 13289 1 18 . 1 1 109 109 ALA N N 109 112.900 112.900 118.879 -5.979 18788 13290 1 18 . 1 1 109 109 ALA HA H 109 4.500 4.500 4.911 -0.411 18788 13291 1 18 . 1 1 109 109 ALA C C 109 174.800 174.800 175.610 -0.810 18788 13292 1 18 . 1 1 109 109 ALA CA C 109 49.900 49.900 51.192 -1.292 18788 13293 1 18 . 1 1 109 109 ALA CB C 109 24.900 24.900 22.059 2.841 18788 13294 1 18 . 1 1 109 109 ALA H H 109 6.950 6.950 7.359 -0.409 18788 13295 1 18 . 1 1 110 110 LYS N N 110 117.700 117.700 119.160 -1.460 18788 13296 1 18 . 1 1 110 110 LYS HA H 110 5.120 5.120 4.899 0.221 18788 13297 1 18 . 1 1 110 110 LYS C C 110 175.800 175.800 175.273 0.527 18788 13298 1 18 . 1 1 110 110 LYS CA C 110 53.800 53.800 54.547 -0.747 18788 13299 1 18 . 1 1 110 110 LYS CB C 110 35.300 35.300 36.277 -0.977 18788 13300 1 18 . 1 1 110 110 LYS H H 110 7.890 7.890 8.630 -0.740 18788 13301 1 18 . 1 1 111 111 VAL N N 111 123.100 123.100 121.362 1.738 18788 13302 1 18 . 1 1 111 111 VAL HA H 111 4.630 4.630 4.190 0.440 18788 13303 1 18 . 1 1 111 111 VAL C C 111 176.500 176.500 174.518 1.982 18788 13304 1 18 . 1 1 111 111 VAL CA C 111 63.100 63.100 61.789 1.311 18788 13305 1 18 . 1 1 111 111 VAL CB C 111 30.600 30.600 32.642 -2.042 18788 13306 1 18 . 1 1 111 111 VAL H H 111 9.180 9.180 9.235 -0.055 18788 13307 1 18 . 1 1 112 112 ALA N N 112 131.500 131.500 129.881 1.619 18788 13308 1 18 . 1 1 112 112 ALA HA H 112 4.150 4.150 4.286 -0.136 18788 13309 1 18 . 1 1 112 112 ALA C C 112 173.300 173.300 176.132 -2.832 18788 13310 1 18 . 1 1 112 112 ALA CA C 112 51.300 51.300 50.130 1.170 18788 13311 1 18 . 1 1 112 112 ALA CB C 112 23.900 23.900 21.323 2.577 18788 13312 1 18 . 1 1 112 112 ALA H H 112 8.000 8.000 8.622 -0.622 18788 13313 1 18 . 1 1 114 114 VAL N N 114 123.100 123.100 125.227 -2.127 18788 13314 1 18 . 1 1 114 114 VAL HA H 114 3.550 3.550 3.968 -0.418 18788 13315 1 18 . 1 1 114 114 VAL C C 114 174.600 174.600 175.768 -1.168 18788 13316 1 18 . 1 1 114 114 VAL CA C 114 62.000 62.000 63.266 -1.266 18788 13317 1 18 . 1 1 114 114 VAL CB C 114 30.300 30.300 31.732 -1.432 18788 13318 1 18 . 1 1 114 114 VAL H H 114 7.480 7.480 8.216 -0.736 18788 13319 1 18 . 1 1 115 115 TYR N N 115 130.100 130.100 130.820 -0.720 18788 13320 1 18 . 1 1 115 115 TYR HA H 115 4.940 4.940 4.712 0.228 18788 13321 1 18 . 1 1 115 115 TYR C C 115 175.700 175.700 174.230 1.470 18788 13322 1 18 . 1 1 115 115 TYR CA C 115 54.900 54.900 56.401 -1.501 18788 13323 1 18 . 1 1 115 115 TYR CB C 115 38.200 38.200 38.755 -0.555 18788 13324 1 18 . 1 1 115 115 TYR H H 115 8.970 8.970 8.962 0.008 18788 13325 1 18 . 1 1 116 116 LYS N N 116 125.400 125.400 127.280 -1.880 18788 13326 1 18 . 1 1 116 116 LYS HA H 116 3.940 3.940 4.408 -0.468 18788 13327 1 18 . 1 1 116 116 LYS C C 116 175.100 175.100 175.416 -0.316 18788 13328 1 18 . 1 1 116 116 LYS CA C 116 56.400 56.400 55.480 0.920 18788 13329 1 18 . 1 1 116 116 LYS CB C 116 31.600 31.600 31.979 -0.379 18788 13330 1 18 . 1 1 116 116 LYS H H 116 8.770 8.770 8.386 0.384 18788 13331 1 18 . 1 1 117 117 PRO HA H 117 4.620 4.620 4.586 0.034 18788 13332 1 18 . 1 1 117 117 PRO C C 117 175.600 175.600 175.892 -0.292 18788 13333 1 18 . 1 1 117 117 PRO CA C 117 64.100 64.100 62.971 1.129 18788 13334 1 18 . 1 1 117 117 PRO CB C 117 32.600 32.600 31.996 0.604 18788 13335 1 18 . 1 1 118 118 ASN N N 118 128.800 128.800 121.083 7.717 18788 13336 1 18 . 1 1 118 118 ASN HA H 118 5.310 5.310 5.004 0.306 18788 13337 1 18 . 1 1 118 118 ASN C C 118 174.500 174.500 174.213 0.287 18788 13338 1 18 . 1 1 118 118 ASN CA C 118 51.600 51.600 53.106 -1.506 18788 13339 1 18 . 1 1 118 118 ASN CB C 118 36.200 36.200 37.499 -1.300 18788 13340 1 18 . 1 1 118 118 ASN H H 118 8.710 8.710 7.930 0.780 18788 13341 1 18 . 1 1 119 119 ASN N N 119 117.600 117.600 118.176 -0.576 18788 13342 1 18 . 1 1 119 119 ASN HA H 119 5.020 5.020 4.989 0.031 18788 13343 1 18 . 1 1 119 119 ASN C C 119 177.500 177.500 175.697 1.803 18788 13344 1 18 . 1 1 119 119 ASN CA C 119 51.900 51.900 53.025 -1.125 18788 13345 1 18 . 1 1 119 119 ASN CB C 119 39.100 39.100 39.161 -0.061 18788 13346 1 18 . 1 1 119 119 ASN H H 119 8.120 8.120 8.257 -0.137 18788 13347 1 18 . 1 1 120 120 THR N N 120 124.400 124.400 118.919 5.481 18788 13348 1 18 . 1 1 120 120 THR HA H 120 3.850 3.850 4.212 -0.362 18788 13349 1 18 . 1 1 120 120 THR C C 120 176.400 176.400 175.533 0.867 18788 13350 1 18 . 1 1 120 120 THR CA C 120 69.100 69.100 66.034 3.066 18788 13351 1 18 . 1 1 120 120 THR CB C 120 66.800 66.800 68.999 -2.199 18788 13352 1 18 . 1 1 120 120 THR H H 120 10.730 10.730 9.110 1.620 18788 13353 1 18 . 1 1 121 121 HIS N N 121 113.400 113.400 117.936 -4.536 18788 13354 1 18 . 1 1 121 121 HIS HA H 121 5.420 5.420 4.862 0.558 18788 13355 1 18 . 1 1 121 121 HIS C C 121 174.800 174.800 175.149 -0.349 18788 13356 1 18 . 1 1 121 121 HIS CA C 121 53.900 53.900 55.435 -1.535 18788 13357 1 18 . 1 1 121 121 HIS CB C 121 29.400 29.400 29.957 -0.557 18788 13358 1 18 . 1 1 121 121 HIS H H 121 6.860 6.860 8.029 -1.169 18788 13359 1 18 . 1 1 122 122 GLU N N 122 120.200 120.200 121.804 -1.604 18788 13360 1 18 . 1 1 122 122 GLU HA H 122 3.700 3.700 3.899 -0.199 18788 13361 1 18 . 1 1 122 122 GLU C C 122 177.200 177.200 178.170 -0.970 18788 13362 1 18 . 1 1 122 122 GLU CA C 122 61.200 61.200 60.722 0.478 18788 13363 1 18 . 1 1 122 122 GLU CB C 122 29.900 29.900 29.732 0.168 18788 13364 1 18 . 1 1 122 122 GLU H H 122 7.540 7.540 7.628 -0.088 18788 13365 1 18 . 1 1 123 123 GLN N N 123 117.200 117.200 117.135 0.065 18788 13366 1 18 . 1 1 123 123 GLN HA H 123 3.970 3.970 4.156 -0.186 18788 13367 1 18 . 1 1 123 123 GLN C C 123 178.600 178.600 178.420 0.180 18788 13368 1 18 . 1 1 123 123 GLN CA C 123 59.500 59.500 58.327 1.173 18788 13369 1 18 . 1 1 123 123 GLN CB C 123 27.100 27.100 27.717 -0.617 18788 13370 1 18 . 1 1 123 123 GLN H H 123 8.920 8.920 8.615 0.305 18788 13371 1 18 . 1 1 124 124 LEU N N 124 122.000 122.000 121.500 0.500 18788 13372 1 18 . 1 1 124 124 LEU HA H 124 4.090 4.090 4.171 -0.081 18788 13373 1 18 . 1 1 124 124 LEU C C 124 179.100 179.100 178.629 0.471 18788 13374 1 18 . 1 1 124 124 LEU CA C 124 58.600 58.600 57.478 1.122 18788 13375 1 18 . 1 1 124 124 LEU CB C 124 42.000 42.000 41.287 0.713 18788 13376 1 18 . 1 1 124 124 LEU H H 124 7.940 7.940 7.671 0.269 18788 13377 1 18 . 1 1 125 125 LEU N N 125 118.900 118.900 118.088 0.812 18788 13378 1 18 . 1 1 125 125 LEU HA H 125 4.000 4.000 3.999 0.001 18788 13379 1 18 . 1 1 125 125 LEU C C 125 179.200 179.200 179.352 -0.152 18788 13380 1 18 . 1 1 125 125 LEU CA C 125 58.900 58.900 57.704 1.196 18788 13381 1 18 . 1 1 125 125 LEU CB C 125 41.100 41.100 41.431 -0.331 18788 13382 1 18 . 1 1 125 125 LEU H H 125 8.030 8.030 8.352 -0.322 18788 13383 1 18 . 1 1 126 126 ARG N N 126 118.800 118.800 118.840 -0.040 18788 13384 1 18 . 1 1 126 126 ARG HA H 126 4.030 4.030 3.970 0.060 18788 13385 1 18 . 1 1 126 126 ARG C C 126 179.700 179.700 178.355 1.345 18788 13386 1 18 . 1 1 126 126 ARG CA C 126 60.600 60.600 59.783 0.817 18788 13387 1 18 . 1 1 126 126 ARG CB C 126 29.100 29.100 29.801 -0.701 18788 13388 1 18 . 1 1 126 126 ARG H H 126 9.010 9.010 7.919 1.091 18788 13389 1 18 . 1 1 127 127 LYS N N 127 122.700 122.700 120.679 2.021 18788 13390 1 18 . 1 1 127 127 LYS HA H 127 4.150 4.150 3.994 0.156 18788 13391 1 18 . 1 1 127 127 LYS C C 127 179.800 179.800 178.764 1.036 18788 13392 1 18 . 1 1 127 127 LYS CA C 127 60.100 60.100 59.511 0.589 18788 13393 1 18 . 1 1 127 127 LYS CB C 127 31.700 31.700 32.239 -0.539 18788 13394 1 18 . 1 1 127 127 LYS H H 127 8.160 8.160 7.641 0.519 18788 13395 1 18 . 1 1 128 128 SER N N 128 118.300 118.300 115.229 3.071 18788 13396 1 18 . 1 1 128 128 SER HA H 128 4.320 4.320 4.130 0.190 18788 13397 1 18 . 1 1 128 128 SER C C 128 175.500 175.500 176.374 -0.874 18788 13398 1 18 . 1 1 128 128 SER CA C 128 63.600 63.600 62.347 1.253 18788 13399 1 18 . 1 1 128 128 SER CB C 128 62.600 62.600 62.989 -0.389 18788 13400 1 18 . 1 1 128 128 SER H H 128 7.830 7.830 7.825 0.005 18788 13401 1 18 . 1 1 129 129 GLU N N 129 125.200 125.200 122.823 2.377 18788 13402 1 18 . 1 1 129 129 GLU HA H 129 3.900 3.900 4.041 -0.141 18788 13403 1 18 . 1 1 129 129 GLU C C 129 177.400 177.400 178.116 -0.716 18788 13404 1 18 . 1 1 129 129 GLU CA C 129 59.200 59.200 59.182 0.018 18788 13405 1 18 . 1 1 129 129 GLU CB C 129 30.900 30.900 29.640 1.260 18788 13406 1 18 . 1 1 129 129 GLU H H 129 8.580 8.580 7.922 0.658 18788 13407 1 18 . 1 1 130 130 ALA N N 130 119.500 119.500 121.807 -2.307 18788 13408 1 18 . 1 1 130 130 ALA HA H 130 3.850 3.850 3.810 0.040 18788 13409 1 18 . 1 1 130 130 ALA C C 130 181.000 181.000 179.775 1.225 18788 13410 1 18 . 1 1 130 130 ALA CA C 130 55.000 55.000 55.048 -0.048 18788 13411 1 18 . 1 1 130 130 ALA CB C 130 17.600 17.600 17.855 -0.255 18788 13412 1 18 . 1 1 130 130 ALA H H 130 7.950 7.950 7.991 -0.041 18788 13413 1 18 . 1 1 131 131 GLN N N 131 118.600 118.600 118.815 -0.215 18788 13414 1 18 . 1 1 131 131 GLN HA H 131 3.990 3.990 3.963 0.027 18788 13415 1 18 . 1 1 131 131 GLN C C 131 177.200 177.200 178.119 -0.919 18788 13416 1 18 . 1 1 131 131 GLN CA C 131 58.800 58.800 58.393 0.407 18788 13417 1 18 . 1 1 131 131 GLN CB C 131 28.000 28.000 28.266 -0.266 18788 13418 1 18 . 1 1 131 131 GLN H H 131 7.520 7.520 7.937 -0.417 18788 13419 1 18 . 1 1 132 132 ALA N N 132 123.100 123.100 121.622 1.478 18788 13420 1 18 . 1 1 132 132 ALA HA H 132 3.930 3.930 4.014 -0.084 18788 13421 1 18 . 1 1 132 132 ALA C C 132 179.500 179.500 179.518 -0.018 18788 13422 1 18 . 1 1 132 132 ALA CA C 132 55.600 55.600 54.851 0.749 18788 13423 1 18 . 1 1 132 132 ALA CB C 132 18.400 18.400 18.426 -0.026 18788 13424 1 18 . 1 1 132 132 ALA H H 132 8.000 8.000 7.503 0.497 18788 13425 1 18 . 1 1 133 133 LYS N N 133 117.200 117.200 118.108 -0.908 18788 13426 1 18 . 1 1 133 133 LYS HA H 133 3.450 3.450 3.474 -0.024 18788 13427 1 18 . 1 1 133 133 LYS C C 133 180.800 180.800 179.453 1.347 18788 13428 1 18 . 1 1 133 133 LYS CA C 133 59.500 59.500 59.293 0.207 18788 13429 1 18 . 1 1 133 133 LYS CB C 133 32.200 32.200 31.948 0.252 18788 13430 1 18 . 1 1 133 133 LYS H H 133 8.170 8.170 7.782 0.388 18788 13431 1 18 . 1 1 134 134 LYS N N 134 122.600 122.600 119.150 3.450 18788 13432 1 18 . 1 1 134 134 LYS HA H 134 3.960 3.960 4.094 -0.134 18788 13433 1 18 . 1 1 134 134 LYS C C 134 178.700 178.700 178.291 0.409 18788 13434 1 18 . 1 1 134 134 LYS CA C 134 59.200 59.200 58.728 0.472 18788 13435 1 18 . 1 1 134 134 LYS CB C 134 32.200 32.200 32.004 0.196 18788 13436 1 18 . 1 1 134 134 LYS H H 134 7.830 7.830 7.618 0.212 18788 13437 1 18 . 1 1 135 135 GLU N N 135 116.500 116.500 117.319 -0.819 18788 13438 1 18 . 1 1 135 135 GLU HA H 135 4.030 4.030 4.391 -0.361 18788 13439 1 18 . 1 1 135 135 GLU C C 135 174.500 174.500 175.113 -0.613 18788 13440 1 18 . 1 1 135 135 GLU CA C 135 56.700 56.700 56.115 0.585 18788 13441 1 18 . 1 1 135 135 GLU CB C 135 29.700 29.700 29.709 -0.008 18788 13442 1 18 . 1 1 135 135 GLU H H 135 7.680 7.680 7.540 0.140 18788 13443 1 18 . 1 1 136 136 LYS N N 136 116.800 116.800 117.235 -0.435 18788 13444 1 18 . 1 1 136 136 LYS HA H 136 3.540 3.540 3.925 -0.385 18788 13445 1 18 . 1 1 136 136 LYS C C 136 175.000 175.000 175.346 -0.346 18788 13446 1 18 . 1 1 136 136 LYS CA C 136 56.800 56.800 56.583 0.217 18788 13447 1 18 . 1 1 136 136 LYS CB C 136 28.800 28.800 29.848 -1.048 18788 13448 1 18 . 1 1 136 136 LYS H H 136 7.820 7.820 7.633 0.187 18788 13449 1 18 . 1 1 137 137 LEU N N 137 117.000 117.000 117.922 -0.922 18788 13450 1 18 . 1 1 137 137 LEU HA H 137 4.190 4.190 4.273 -0.083 18788 13451 1 18 . 1 1 137 137 LEU C C 137 178.500 178.500 178.527 -0.027 18788 13452 1 18 . 1 1 137 137 LEU CA C 137 55.000 55.000 54.884 0.116 18788 13453 1 18 . 1 1 137 137 LEU CB C 137 44.000 44.000 42.102 1.898 18788 13454 1 18 . 1 1 137 137 LEU H H 137 7.650 7.650 7.685 -0.035 18788 13455 1 18 . 1 1 138 138 ASN N N 138 118.700 118.700 120.803 -2.103 18788 13456 1 18 . 1 1 138 138 ASN HA H 138 3.730 3.730 4.327 -0.597 18788 13457 1 18 . 1 1 138 138 ASN C C 138 176.300 176.300 177.961 -1.661 18788 13458 1 18 . 1 1 138 138 ASN CA C 138 56.600 56.600 56.170 0.430 18788 13459 1 18 . 1 1 138 138 ASN CB C 138 38.700 38.700 38.103 0.597 18788 13460 1 18 . 1 1 138 138 ASN H H 138 9.050 9.050 9.012 0.038 18788 13461 1 18 . 1 1 139 139 ILE N N 139 123.800 123.800 113.979 9.821 18788 13462 1 18 . 1 1 139 139 ILE HA H 139 3.380 3.380 3.863 -0.483 18788 13463 1 18 . 1 1 139 139 ILE C C 139 176.700 176.700 175.588 1.112 18788 13464 1 18 . 1 1 139 139 ILE CA C 139 65.700 65.700 62.876 2.824 18788 13465 1 18 . 1 1 139 139 ILE CB C 139 37.000 37.000 37.206 -0.206 18788 13466 1 18 . 1 1 139 139 ILE H H 139 8.350 8.350 7.304 1.046 18788 13467 1 18 . 1 1 140 140 TRP N N 140 119.700 119.700 118.048 1.652 18788 13468 1 18 . 1 1 140 140 TRP HA H 140 4.940 4.940 4.724 0.216 18788 13469 1 18 . 1 1 140 140 TRP C C 140 176.200 176.200 175.658 0.542 18788 13470 1 18 . 1 1 140 140 TRP CA C 140 54.900 54.900 55.995 -1.095 18788 13471 1 18 . 1 1 140 140 TRP CB C 140 30.000 30.000 30.266 -0.266 18788 13472 1 18 . 1 1 140 140 TRP H H 140 7.850 7.850 7.723 0.127 18788 13473 1 18 . 1 1 141 141 SER N N 141 116.100 116.100 115.613 0.487 18788 13474 1 18 . 1 1 141 141 SER HA H 141 4.220 4.220 4.591 -0.371 18788 13475 1 18 . 1 1 141 141 SER C C 141 175.200 175.200 174.866 0.334 18788 13476 1 18 . 1 1 141 141 SER CA C 141 59.800 59.800 58.450 1.350 18788 13477 1 18 . 1 1 141 141 SER CB C 141 64.600 64.600 63.245 1.355 18788 13478 1 18 . 1 1 141 141 SER H H 141 8.080 8.080 7.415 0.665 18788 13479 1 18 . 1 1 142 142 GLU N N 142 121.200 121.200 126.441 -5.241 18788 13480 1 18 . 1 1 142 142 GLU HA H 142 4.430 4.430 4.456 -0.026 18788 13481 1 18 . 1 1 142 142 GLU C C 142 176.200 176.200 175.369 0.831 18788 13482 1 18 . 1 1 142 142 GLU CA C 142 56.100 56.100 55.580 0.520 18788 13483 1 18 . 1 1 142 142 GLU CB C 142 30.500 30.500 29.926 0.574 18788 13484 1 18 . 1 1 142 142 GLU H H 142 8.020 8.020 8.673 -0.653 18788 13485 1 18 . 1 1 143 143 ASP N N 143 121.400 121.400 121.564 -0.164 18788 13486 1 18 . 1 1 143 143 ASP HA H 143 4.620 4.620 4.656 -0.036 18788 13487 1 18 . 1 1 143 143 ASP C C 143 176.100 176.100 176.052 0.048 18788 13488 1 18 . 1 1 143 143 ASP CA C 143 54.800 54.800 54.587 0.213 18788 13489 1 18 . 1 1 143 143 ASP CB C 143 41.200 41.200 40.998 0.202 18788 13490 1 18 . 1 1 143 143 ASP H H 143 8.370 8.370 7.521 0.849 18788 13491 1 18 . 1 1 144 144 ASN N N 144 119.300 119.300 123.810 -4.510 18788 13492 1 18 . 1 1 144 144 ASN HA H 144 4.760 4.760 4.724 0.036 18788 13493 1 18 . 1 1 144 144 ASN C C 144 175.200 175.200 175.943 -0.743 18788 13494 1 18 . 1 1 144 144 ASN CA C 144 53.200 53.200 52.929 0.271 18788 13495 1 18 . 1 1 144 144 ASN CB C 144 39.000 39.000 39.455 -0.455 18788 13496 1 18 . 1 1 144 144 ASN H H 144 8.400 8.400 8.214 0.186 18788 13497 1 18 . 1 1 145 145 ALA N N 145 124.300 124.300 121.631 2.669 18788 13498 1 18 . 1 1 145 145 ALA HA H 145 4.310 4.310 4.414 -0.104 18788 13499 1 18 . 1 1 145 145 ALA C C 145 177.700 177.700 177.462 0.238 18788 13500 1 18 . 1 1 145 145 ALA CA C 145 53.300 53.300 52.049 1.251 18788 13501 1 18 . 1 1 145 145 ALA CB C 145 19.200 19.200 19.224 -0.024 18788 13502 1 18 . 1 1 145 145 ALA H H 145 8.240 8.240 7.558 0.682 18788 13503 1 18 . 1 1 146 146 ASP N N 146 119.200 119.200 119.760 -0.560 18788 13504 1 18 . 1 1 146 146 ASP HA H 146 4.670 4.670 4.576 0.094 18788 13505 1 18 . 1 1 146 146 ASP C C 146 176.400 176.400 176.416 -0.016 18788 13506 1 18 . 1 1 146 146 ASP CA C 146 54.400 54.400 54.502 -0.102 18788 13507 1 18 . 1 1 146 146 ASP CB C 146 41.200 41.200 42.397 -1.197 18788 13508 1 18 . 1 1 146 146 ASP H H 146 8.340 8.340 7.784 0.556 18788 13509 1 18 . 1 1 147 147 SER N N 147 116.100 116.100 118.651 -2.551 18788 13510 1 18 . 1 1 147 147 SER HA H 147 4.450 4.450 4.509 -0.059 18788 13511 1 18 . 1 1 147 147 SER C C 147 175.200 175.200 174.686 0.514 18788 13512 1 18 . 1 1 147 147 SER CA C 147 58.900 58.900 58.428 0.472 18788 13513 1 18 . 1 1 147 147 SER CB C 147 64.100 64.100 63.090 1.010 18788 13514 1 18 . 1 1 147 147 SER H H 147 8.220 8.220 8.378 -0.158 18788 13515 1 18 . 1 1 148 148 GLY N N 148 111.200 111.200 109.006 2.194 18788 13516 1 18 . 1 1 148 148 GLY C C 148 173.400 173.400 172.398 1.002 18788 13517 1 18 . 1 1 148 148 GLY CA C 148 45.500 45.500 45.099 0.401 18788 13518 1 18 . 1 1 148 148 GLY H H 148 8.470 8.470 7.779 0.691 18788 13519 1 19 . 1 1 2 2 THR N N 2 120.300 120.300 110.872 9.428 18788 13520 1 19 . 1 1 2 2 THR HA H 2 4.430 4.430 4.139 0.291 18788 13521 1 19 . 1 1 2 2 THR C C 2 174.400 174.400 175.424 -1.024 18788 13522 1 19 . 1 1 2 2 THR CA C 2 62.100 62.100 63.918 -1.818 18788 13523 1 19 . 1 1 2 2 THR CB C 2 69.900 69.900 69.225 0.675 18788 13524 1 19 . 1 1 2 2 THR H H 2 8.320 8.320 8.399 -0.079 18788 13525 1 19 . 1 1 3 3 SER N N 3 118.700 118.700 116.411 2.289 18788 13526 1 19 . 1 1 3 3 SER HA H 3 5.000 5.000 4.600 0.400 18788 13527 1 19 . 1 1 3 3 SER CA C 3 58.400 58.400 57.948 0.452 18788 13528 1 19 . 1 1 3 3 SER CB C 3 68.800 68.800 63.875 4.925 18788 13529 1 19 . 1 1 3 3 SER H H 3 8.520 8.520 7.686 0.835 18788 13530 1 19 . 1 1 4 4 THR HA H 4 4.380 4.380 4.456 -0.076 18788 13531 1 19 . 1 1 4 4 THR C C 4 174.400 174.400 174.003 0.397 18788 13532 1 19 . 1 1 4 4 THR CA C 4 62.000 62.000 62.553 -0.553 18788 13533 1 19 . 1 1 4 4 THR CB C 4 69.700 69.700 67.417 2.283 18788 13534 1 19 . 1 1 5 5 LYS N N 5 124.000 124.000 127.090 -3.090 18788 13535 1 19 . 1 1 5 5 LYS HA H 5 4.370 4.370 4.519 -0.149 18788 13536 1 19 . 1 1 5 5 LYS C C 5 176.100 176.100 175.105 0.995 18788 13537 1 19 . 1 1 5 5 LYS CA C 5 56.500 56.500 54.913 1.587 18788 13538 1 19 . 1 1 5 5 LYS CB C 5 32.900 32.900 34.799 -1.899 18788 13539 1 19 . 1 1 5 5 LYS H H 5 8.320 8.320 7.679 0.641 18788 13540 1 19 . 1 1 6 6 LYS N N 6 122.500 122.500 120.715 1.785 18788 13541 1 19 . 1 1 6 6 LYS HA H 6 4.400 4.400 4.417 -0.017 18788 13542 1 19 . 1 1 6 6 LYS C C 6 176.200 176.200 176.452 -0.252 18788 13543 1 19 . 1 1 6 6 LYS CA C 6 55.900 55.900 56.025 -0.125 18788 13544 1 19 . 1 1 6 6 LYS CB C 6 33.600 33.600 32.770 0.830 18788 13545 1 19 . 1 1 6 6 LYS H H 6 8.220 8.220 8.490 -0.270 18788 13546 1 19 . 1 1 7 7 LEU N N 7 122.200 122.200 120.004 2.196 18788 13547 1 19 . 1 1 7 7 LEU HA H 7 4.550 4.550 4.682 -0.132 18788 13548 1 19 . 1 1 7 7 LEU C C 7 176.600 176.600 177.342 -0.742 18788 13549 1 19 . 1 1 7 7 LEU CA C 7 54.800 54.800 54.735 0.065 18788 13550 1 19 . 1 1 7 7 LEU CB C 7 41.500 41.500 42.505 -1.005 18788 13551 1 19 . 1 1 7 7 LEU H H 7 8.340 8.340 8.057 0.283 18788 13552 1 19 . 1 1 8 8 HIS N N 8 119.200 119.200 117.164 2.036 18788 13553 1 19 . 1 1 8 8 HIS HA H 8 4.990 4.990 4.989 0.000 18788 13554 1 19 . 1 1 8 8 HIS C C 8 173.700 173.700 173.952 -0.252 18788 13555 1 19 . 1 1 8 8 HIS CA C 8 55.300 55.300 54.529 0.771 18788 13556 1 19 . 1 1 8 8 HIS CB C 8 32.200 32.200 32.499 -0.299 18788 13557 1 19 . 1 1 8 8 HIS H H 8 8.860 8.860 8.655 0.205 18788 13558 1 19 . 1 1 9 9 LYS N N 9 124.000 124.000 124.032 -0.032 18788 13559 1 19 . 1 1 9 9 LYS HA H 9 4.840 4.840 4.731 0.109 18788 13560 1 19 . 1 1 9 9 LYS C C 9 176.400 176.400 176.821 -0.421 18788 13561 1 19 . 1 1 9 9 LYS CA C 9 55.700 55.700 55.747 -0.047 18788 13562 1 19 . 1 1 9 9 LYS CB C 9 34.700 34.700 33.692 1.008 18788 13563 1 19 . 1 1 9 9 LYS H H 9 8.480 8.480 8.636 -0.156 18788 13564 1 19 . 1 1 10 10 GLU N N 10 123.100 123.100 122.696 0.404 18788 13565 1 19 . 1 1 10 10 GLU HA H 10 5.060 5.060 4.967 0.093 18788 13566 1 19 . 1 1 10 10 GLU C C 10 173.200 173.200 174.183 -0.983 18788 13567 1 19 . 1 1 10 10 GLU CA C 10 53.400 53.400 53.154 0.246 18788 13568 1 19 . 1 1 10 10 GLU CB C 10 33.000 33.000 31.903 1.097 18788 13569 1 19 . 1 1 10 10 GLU H H 10 9.390 9.390 8.923 0.467 18788 13570 1 19 . 1 1 11 11 PRO HA H 11 4.900 4.900 4.602 0.298 18788 13571 1 19 . 1 1 11 11 PRO C C 11 175.400 175.400 175.501 -0.101 18788 13572 1 19 . 1 1 11 11 PRO CA C 11 63.100 63.100 62.980 0.120 18788 13573 1 19 . 1 1 11 11 PRO CB C 11 33.000 33.000 32.216 0.784 18788 13574 1 19 . 1 1 12 12 ALA N N 12 119.700 119.700 125.101 -5.401 18788 13575 1 19 . 1 1 12 12 ALA HA H 12 4.990 4.990 5.267 -0.277 18788 13576 1 19 . 1 1 12 12 ALA C C 12 175.400 175.400 175.679 -0.279 18788 13577 1 19 . 1 1 12 12 ALA CA C 12 51.600 51.600 50.548 1.052 18788 13578 1 19 . 1 1 12 12 ALA CB C 12 24.600 24.600 23.262 1.338 18788 13579 1 19 . 1 1 12 12 ALA H H 12 8.070 8.070 8.588 -0.518 18788 13580 1 19 . 1 1 13 13 THR N N 13 109.100 109.100 115.396 -6.296 18788 13581 1 19 . 1 1 13 13 THR HA H 13 4.700 4.700 4.732 -0.032 18788 13582 1 19 . 1 1 13 13 THR C C 13 174.000 174.000 173.192 0.808 18788 13583 1 19 . 1 1 13 13 THR CA C 13 60.700 60.700 61.229 -0.529 18788 13584 1 19 . 1 1 13 13 THR CB C 13 71.600 71.600 72.025 -0.425 18788 13585 1 19 . 1 1 13 13 THR H H 13 8.090 8.090 8.262 -0.172 18788 13586 1 19 . 1 1 14 14 LEU N N 14 125.200 125.200 128.083 -2.883 18788 13587 1 19 . 1 1 14 14 LEU HA H 14 4.140 4.140 4.180 -0.040 18788 13588 1 19 . 1 1 14 14 LEU C C 14 176.700 176.700 175.870 0.830 18788 13589 1 19 . 1 1 14 14 LEU CA C 14 56.800 56.800 56.083 0.717 18788 13590 1 19 . 1 1 14 14 LEU CB C 14 42.900 42.900 42.922 -0.022 18788 13591 1 19 . 1 1 14 14 LEU H H 14 9.150 9.150 8.799 0.351 18788 13592 1 19 . 1 1 15 15 ILE N N 15 125.200 125.200 125.619 -0.419 18788 13593 1 19 . 1 1 15 15 ILE HA H 15 4.220 4.220 4.151 0.069 18788 13594 1 19 . 1 1 15 15 ILE C C 15 175.900 175.900 175.951 -0.051 18788 13595 1 19 . 1 1 15 15 ILE CA C 15 64.300 64.300 62.262 2.038 18788 13596 1 19 . 1 1 15 15 ILE CB C 15 38.700 38.700 39.118 -0.418 18788 13597 1 19 . 1 1 15 15 ILE H H 15 8.460 8.460 8.619 -0.159 18788 13598 1 19 . 1 1 16 16 LYS N N 16 114.100 114.100 118.363 -4.263 18788 13599 1 19 . 1 1 16 16 LYS HA H 16 4.460 4.460 4.604 -0.144 18788 13600 1 19 . 1 1 16 16 LYS C C 16 174.000 174.000 174.517 -0.517 18788 13601 1 19 . 1 1 16 16 LYS CA C 16 56.600 56.600 55.025 1.575 18788 13602 1 19 . 1 1 16 16 LYS CB C 16 35.300 35.300 36.882 -1.582 18788 13603 1 19 . 1 1 16 16 LYS H H 16 8.050 8.050 8.319 -0.269 18788 13604 1 19 . 1 1 17 17 ALA N N 17 129.100 129.100 126.659 2.441 18788 13605 1 19 . 1 1 17 17 ALA HA H 17 4.480 4.480 4.839 -0.359 18788 13606 1 19 . 1 1 17 17 ALA C C 17 175.700 175.700 176.937 -1.237 18788 13607 1 19 . 1 1 17 17 ALA CA C 17 52.300 52.300 51.721 0.579 18788 13608 1 19 . 1 1 17 17 ALA CB C 17 18.200 18.200 19.119 -0.919 18788 13609 1 19 . 1 1 17 17 ALA H H 17 9.470 9.470 8.602 0.868 18788 13610 1 19 . 1 1 18 18 ILE N N 18 123.500 123.500 124.587 -1.087 18788 13611 1 19 . 1 1 18 18 ILE HA H 18 4.110 4.110 4.020 0.090 18788 13612 1 19 . 1 1 18 18 ILE C C 18 175.100 175.100 176.239 -1.139 18788 13613 1 19 . 1 1 18 18 ILE CA C 18 63.200 63.200 63.174 0.026 18788 13614 1 19 . 1 1 18 18 ILE CB C 18 37.800 37.800 38.869 -1.069 18788 13615 1 19 . 1 1 18 18 ILE H H 18 8.070 8.070 8.100 -0.030 18788 13616 1 19 . 1 1 19 19 ASP N N 19 120.500 120.500 117.003 3.497 18788 13617 1 19 . 1 1 19 19 ASP HA H 19 4.730 4.730 4.658 0.072 18788 13618 1 19 . 1 1 19 19 ASP C C 19 176.800 176.800 176.370 0.430 18788 13619 1 19 . 1 1 19 19 ASP CA C 19 53.400 53.400 53.675 -0.275 18788 13620 1 19 . 1 1 19 19 ASP CB C 19 40.100 40.100 41.603 -1.503 18788 13621 1 19 . 1 1 19 19 ASP H H 19 8.290 8.290 8.232 0.058 18788 13622 1 19 . 1 1 20 20 GLY N N 20 103.500 103.500 113.610 -10.110 18788 13623 1 19 . 1 1 20 20 GLY C C 20 173.300 173.300 174.507 -1.207 18788 13624 1 19 . 1 1 20 20 GLY CA C 20 47.700 47.700 47.328 0.372 18788 13625 1 19 . 1 1 20 20 GLY H H 20 8.460 8.460 8.618 -0.158 18788 13626 1 19 . 1 1 21 21 ASP N N 21 111.200 111.200 124.805 -13.605 18788 13627 1 19 . 1 1 21 21 ASP HA H 21 4.850 4.850 4.573 0.277 18788 13628 1 19 . 1 1 21 21 ASP C C 21 175.300 175.300 175.886 -0.586 18788 13629 1 19 . 1 1 21 21 ASP CA C 21 52.100 52.100 56.967 -4.867 18788 13630 1 19 . 1 1 21 21 ASP CB C 21 40.600 40.600 41.551 -0.951 18788 13631 1 19 . 1 1 21 21 ASP H H 21 7.640 7.640 8.162 -0.522 18788 13632 1 19 . 1 1 22 22 THR N N 22 113.200 113.200 115.372 -2.172 18788 13633 1 19 . 1 1 22 22 THR HA H 22 5.700 5.700 5.600 0.100 18788 13634 1 19 . 1 1 22 22 THR C C 22 174.000 174.000 173.734 0.266 18788 13635 1 19 . 1 1 22 22 THR CA C 22 61.000 61.000 61.760 -0.760 18788 13636 1 19 . 1 1 22 22 THR CB C 22 71.800 71.800 70.166 1.634 18788 13637 1 19 . 1 1 22 22 THR H H 22 7.610 7.610 7.648 -0.038 18788 13638 1 19 . 1 1 23 23 VAL N N 23 118.000 118.000 119.319 -1.319 18788 13639 1 19 . 1 1 23 23 VAL HA H 23 4.620 4.620 4.773 -0.153 18788 13640 1 19 . 1 1 23 23 VAL C C 23 172.100 172.100 173.293 -1.193 18788 13641 1 19 . 1 1 23 23 VAL CA C 23 60.100 60.100 59.394 0.706 18788 13642 1 19 . 1 1 23 23 VAL CB C 23 36.200 36.200 35.261 0.939 18788 13643 1 19 . 1 1 23 23 VAL H H 23 8.910 8.910 9.174 -0.264 18788 13644 1 19 . 1 1 24 24 LYS N N 24 127.000 127.000 122.888 4.112 18788 13645 1 19 . 1 1 24 24 LYS HA H 24 5.440 5.440 5.216 0.224 18788 13646 1 19 . 1 1 24 24 LYS C C 24 175.200 175.200 174.783 0.417 18788 13647 1 19 . 1 1 24 24 LYS CA C 24 55.600 55.600 55.214 0.386 18788 13648 1 19 . 1 1 24 24 LYS CB C 24 34.400 34.400 34.877 -0.477 18788 13649 1 19 . 1 1 24 24 LYS H H 24 9.470 9.470 9.093 0.377 18788 13650 1 19 . 1 1 25 25 LEU N N 25 127.000 127.000 122.598 4.402 18788 13651 1 19 . 1 1 25 25 LEU HA H 25 5.210 5.210 4.971 0.239 18788 13652 1 19 . 1 1 25 25 LEU C C 25 174.500 174.500 174.743 -0.243 18788 13653 1 19 . 1 1 25 25 LEU CA C 25 53.100 53.100 52.962 0.138 18788 13654 1 19 . 1 1 25 25 LEU CB C 25 45.500 45.500 45.194 0.306 18788 13655 1 19 . 1 1 25 25 LEU H H 25 9.380 9.380 8.943 0.437 18788 13656 1 19 . 1 1 26 26 MET N N 26 122.000 122.000 119.567 2.433 18788 13657 1 19 . 1 1 26 26 MET HA H 26 4.880 4.880 4.803 0.077 18788 13658 1 19 . 1 1 26 26 MET C C 26 175.100 175.100 174.301 0.799 18788 13659 1 19 . 1 1 26 26 MET CA C 26 54.700 54.700 55.492 -0.792 18788 13660 1 19 . 1 1 26 26 MET CB C 26 31.400 31.400 33.532 -2.132 18788 13661 1 19 . 1 1 26 26 MET H H 26 9.530 9.530 8.901 0.629 18788 13662 1 19 . 1 1 27 27 TYR N N 27 129.600 129.600 129.281 0.319 18788 13663 1 19 . 1 1 27 27 TYR HA H 27 5.050 5.050 4.950 0.100 18788 13664 1 19 . 1 1 27 27 TYR C C 27 173.900 173.900 175.224 -1.324 18788 13665 1 19 . 1 1 27 27 TYR CA C 27 57.000 57.000 56.684 0.316 18788 13666 1 19 . 1 1 27 27 TYR CB C 27 41.700 41.700 40.449 1.251 18788 13667 1 19 . 1 1 27 27 TYR H H 27 9.040 9.040 9.282 -0.242 18788 13668 1 19 . 1 1 28 28 LYS N N 28 127.600 127.600 128.441 -0.841 18788 13669 1 19 . 1 1 28 28 LYS HA H 28 3.590 3.590 3.709 -0.119 18788 13670 1 19 . 1 1 28 28 LYS C C 28 176.900 176.900 176.001 0.899 18788 13671 1 19 . 1 1 28 28 LYS CA C 28 57.100 57.100 57.122 -0.022 18788 13672 1 19 . 1 1 28 28 LYS CB C 28 29.700 29.700 30.327 -0.627 18788 13673 1 19 . 1 1 28 28 LYS H H 28 9.310 9.310 9.397 -0.087 18788 13674 1 19 . 1 1 29 29 GLY N N 29 102.400 102.400 102.819 -0.419 18788 13675 1 19 . 1 1 29 29 GLY C C 29 173.600 173.600 174.484 -0.884 18788 13676 1 19 . 1 1 29 29 GLY CA C 29 45.600 45.600 45.051 0.549 18788 13677 1 19 . 1 1 29 29 GLY H H 29 8.450 8.450 8.484 -0.034 18788 13678 1 19 . 1 1 30 30 GLN N N 30 119.300 119.300 120.540 -1.240 18788 13679 1 19 . 1 1 30 30 GLN HA H 30 5.030 5.030 4.934 0.096 18788 13680 1 19 . 1 1 30 30 GLN C C 30 173.200 173.200 173.473 -0.273 18788 13681 1 19 . 1 1 30 30 GLN CA C 30 52.200 52.200 52.141 0.059 18788 13682 1 19 . 1 1 30 30 GLN CB C 30 31.200 31.200 29.408 1.792 18788 13683 1 19 . 1 1 30 30 GLN H H 30 7.820 7.820 7.997 -0.177 18788 13684 1 19 . 1 1 31 31 PRO HA H 31 4.880 4.880 4.997 -0.117 18788 13685 1 19 . 1 1 31 31 PRO C C 31 177.400 177.400 176.172 1.228 18788 13686 1 19 . 1 1 31 31 PRO CA C 31 62.600 62.600 63.039 -0.439 18788 13687 1 19 . 1 1 31 31 PRO CB C 31 31.900 31.900 31.759 0.141 18788 13688 1 19 . 1 1 32 32 MET N N 32 125.700 125.700 125.627 0.073 18788 13689 1 19 . 1 1 32 32 MET HA H 32 4.670 4.670 4.908 -0.238 18788 13690 1 19 . 1 1 32 32 MET C C 32 174.600 174.600 174.347 0.253 18788 13691 1 19 . 1 1 32 32 MET CA C 32 55.800 55.800 54.825 0.975 18788 13692 1 19 . 1 1 32 32 MET CB C 32 37.200 37.200 37.404 -0.203 18788 13693 1 19 . 1 1 32 32 MET H H 32 9.570 9.570 9.381 0.189 18788 13694 1 19 . 1 1 33 33 THR N N 33 123.600 123.600 122.095 1.505 18788 13695 1 19 . 1 1 33 33 THR HA H 33 4.510 4.510 4.977 -0.467 18788 13696 1 19 . 1 1 33 33 THR C C 33 173.100 173.100 174.380 -1.280 18788 13697 1 19 . 1 1 33 33 THR CA C 33 64.300 64.300 63.525 0.775 18788 13698 1 19 . 1 1 33 33 THR CB C 33 68.800 68.800 69.087 -0.286 18788 13699 1 19 . 1 1 33 33 THR H H 33 8.990 8.990 8.798 0.192 18788 13700 1 19 . 1 1 34 34 PHE N N 34 126.100 126.100 126.597 -0.497 18788 13701 1 19 . 1 1 34 34 PHE HA H 34 4.890 4.890 5.028 -0.138 18788 13702 1 19 . 1 1 34 34 PHE C C 34 173.400 173.400 173.934 -0.534 18788 13703 1 19 . 1 1 34 34 PHE CA C 34 57.300 57.300 57.012 0.288 18788 13704 1 19 . 1 1 34 34 PHE CB C 34 41.900 41.900 42.830 -0.930 18788 13705 1 19 . 1 1 34 34 PHE H H 34 9.610 9.610 9.580 0.030 18788 13706 1 19 . 1 1 35 35 ARG N N 35 124.200 124.200 123.857 0.343 18788 13707 1 19 . 1 1 35 35 ARG HA H 35 5.080 5.080 5.279 -0.199 18788 13708 1 19 . 1 1 35 35 ARG C C 35 174.600 174.600 174.254 0.346 18788 13709 1 19 . 1 1 35 35 ARG CA C 35 52.100 52.100 54.929 -2.829 18788 13710 1 19 . 1 1 35 35 ARG CB C 35 33.600 33.600 34.459 -0.859 18788 13711 1 19 . 1 1 35 35 ARG H H 35 9.640 9.640 8.806 0.834 18788 13712 1 19 . 1 1 38 38 LEU HA H 38 4.330 4.330 4.309 0.021 18788 13713 1 19 . 1 1 38 38 LEU C C 38 175.200 175.200 176.970 -1.770 18788 13714 1 19 . 1 1 38 38 LEU CA C 38 56.600 56.600 56.275 0.325 18788 13715 1 19 . 1 1 38 38 LEU CB C 38 40.100 40.100 41.858 -1.758 18788 13716 1 19 . 1 1 39 39 VAL N N 39 104.500 104.500 112.889 -8.389 18788 13717 1 19 . 1 1 39 39 VAL HA H 39 5.580 5.580 5.274 0.306 18788 13718 1 19 . 1 1 39 39 VAL C C 39 175.600 175.600 174.677 0.923 18788 13719 1 19 . 1 1 39 39 VAL CA C 39 57.800 57.800 58.558 -0.758 18788 13720 1 19 . 1 1 39 39 VAL CB C 39 36.400 36.400 35.104 1.296 18788 13721 1 19 . 1 1 39 39 VAL H H 39 6.920 6.920 7.744 -0.824 18788 13722 1 19 . 1 1 40 40 ASP N N 40 121.500 121.500 120.679 0.821 18788 13723 1 19 . 1 1 40 40 ASP HA H 40 5.260 5.260 5.346 -0.086 18788 13724 1 19 . 1 1 40 40 ASP C C 40 174.600 174.600 175.953 -1.353 18788 13725 1 19 . 1 1 40 40 ASP CA C 40 54.100 54.100 53.702 0.398 18788 13726 1 19 . 1 1 40 40 ASP CB C 40 44.100 44.100 43.604 0.496 18788 13727 1 19 . 1 1 40 40 ASP H H 40 8.880 8.880 8.836 0.044 18788 13728 1 19 . 1 1 41 41 THR N N 41 118.700 118.700 118.407 0.293 18788 13729 1 19 . 1 1 41 41 THR HA H 41 5.020 5.020 5.275 -0.255 18788 13730 1 19 . 1 1 41 41 THR CA C 41 58.300 58.300 59.432 -1.132 18788 13731 1 19 . 1 1 41 41 THR CB C 41 68.900 68.900 69.184 -0.284 18788 13732 1 19 . 1 1 41 41 THR H H 41 8.520 8.520 9.221 -0.701 18788 13733 1 19 . 1 1 42 42 PRO HA H 42 4.440 4.440 4.433 0.007 18788 13734 1 19 . 1 1 42 42 PRO CA C 42 62.200 62.200 63.501 -1.301 18788 13735 1 19 . 1 1 42 42 PRO CB C 42 32.300 32.300 32.044 0.256 18788 13736 1 19 . 1 1 50 50 GLY C C 50 179.800 179.800 173.952 5.848 18788 13737 1 19 . 1 1 51 51 VAL N N 51 119.200 119.200 121.575 -2.375 18788 13738 1 19 . 1 1 51 51 VAL HA H 51 4.160 4.160 4.462 -0.302 18788 13739 1 19 . 1 1 51 51 VAL C C 51 178.600 178.600 174.592 4.008 18788 13740 1 19 . 1 1 51 51 VAL CA C 51 63.500 63.500 61.361 2.139 18788 13741 1 19 . 1 1 51 51 VAL H H 51 7.820 7.820 7.963 -0.143 18788 13742 1 19 . 1 1 54 54 TYR C C 54 176.300 176.300 176.432 -0.132 18788 13743 1 19 . 1 1 55 55 GLY N N 55 108.900 108.900 108.324 0.576 18788 13744 1 19 . 1 1 55 55 GLY C C 55 174.300 174.300 171.687 2.613 18788 13745 1 19 . 1 1 55 55 GLY CA C 55 48.400 48.400 42.923 5.476 18788 13746 1 19 . 1 1 55 55 GLY H H 55 8.810 8.810 8.204 0.606 18788 13747 1 19 . 1 1 57 57 GLU HA H 57 4.010 4.010 4.204 -0.194 18788 13748 1 19 . 1 1 57 57 GLU C C 57 179.500 179.500 177.603 1.897 18788 13749 1 19 . 1 1 57 57 GLU CA C 57 61.700 61.700 57.392 4.308 18788 13750 1 19 . 1 1 58 58 ALA N N 58 125.000 125.000 123.289 1.711 18788 13751 1 19 . 1 1 58 58 ALA HA H 58 4.170 4.170 4.142 0.028 18788 13752 1 19 . 1 1 58 58 ALA C C 58 178.700 178.700 180.140 -1.440 18788 13753 1 19 . 1 1 58 58 ALA CA C 58 55.800 55.800 55.102 0.697 18788 13754 1 19 . 1 1 58 58 ALA CB C 58 18.200 18.200 18.259 -0.059 18788 13755 1 19 . 1 1 58 58 ALA H H 58 8.940 8.940 8.235 0.705 18788 13756 1 19 . 1 1 59 59 SER N N 59 111.900 111.900 115.450 -3.550 18788 13757 1 19 . 1 1 59 59 SER HA H 59 3.740 3.740 4.133 -0.393 18788 13758 1 19 . 1 1 59 59 SER C C 59 177.100 177.100 176.326 0.774 18788 13759 1 19 . 1 1 59 59 SER CA C 59 62.000 62.000 61.781 0.219 18788 13760 1 19 . 1 1 59 59 SER CB C 59 62.900 62.900 62.658 0.242 18788 13761 1 19 . 1 1 59 59 SER H H 59 8.340 8.340 7.968 0.372 18788 13762 1 19 . 1 1 60 60 ALA N N 60 122.900 122.900 124.395 -1.495 18788 13763 1 19 . 1 1 60 60 ALA HA H 60 4.070 4.070 4.125 -0.055 18788 13764 1 19 . 1 1 60 60 ALA C C 60 179.100 179.100 179.189 -0.089 18788 13765 1 19 . 1 1 60 60 ALA CA C 60 55.100 55.100 54.296 0.804 18788 13766 1 19 . 1 1 60 60 ALA CB C 60 18.200 18.200 18.491 -0.291 18788 13767 1 19 . 1 1 60 60 ALA H H 60 8.440 8.440 8.178 0.262 18788 13768 1 19 . 1 1 61 61 PHE N N 61 121.700 121.700 119.477 2.223 18788 13769 1 19 . 1 1 61 61 PHE HA H 61 4.050 4.050 4.246 -0.196 18788 13770 1 19 . 1 1 61 61 PHE C C 61 178.100 178.100 177.223 0.877 18788 13771 1 19 . 1 1 61 61 PHE CA C 61 61.800 61.800 60.785 1.015 18788 13772 1 19 . 1 1 61 61 PHE CB C 61 39.800 39.800 39.237 0.563 18788 13773 1 19 . 1 1 61 61 PHE H H 61 8.190 8.190 8.729 -0.539 18788 13774 1 19 . 1 1 62 62 THR N N 62 120.200 120.200 115.908 4.292 18788 13775 1 19 . 1 1 62 62 THR HA H 62 3.560 3.560 3.738 -0.178 18788 13776 1 19 . 1 1 62 62 THR C C 62 175.300 175.300 176.438 -1.138 18788 13777 1 19 . 1 1 62 62 THR CA C 62 67.600 67.600 66.792 0.808 18788 13778 1 19 . 1 1 62 62 THR CB C 62 68.400 68.400 68.347 0.054 18788 13779 1 19 . 1 1 62 62 THR H H 62 8.540 8.540 8.518 0.022 18788 13780 1 19 . 1 1 63 63 LYS N N 63 120.000 120.000 121.826 -1.826 18788 13781 1 19 . 1 1 63 63 LYS HA H 63 3.560 3.560 3.889 -0.329 18788 13782 1 19 . 1 1 63 63 LYS C C 63 176.800 176.800 178.323 -1.523 18788 13783 1 19 . 1 1 63 63 LYS CA C 63 60.400 60.400 59.745 0.655 18788 13784 1 19 . 1 1 63 63 LYS CB C 63 33.300 33.300 32.436 0.864 18788 13785 1 19 . 1 1 63 63 LYS H H 63 7.910 7.910 7.802 0.108 18788 13786 1 19 . 1 1 64 64 LYS N N 64 117.200 117.200 119.519 -2.319 18788 13787 1 19 . 1 1 64 64 LYS HA H 64 3.940 3.940 3.948 -0.008 18788 13788 1 19 . 1 1 64 64 LYS C C 64 178.700 178.700 179.170 -0.470 18788 13789 1 19 . 1 1 64 64 LYS CA C 64 59.200 59.200 59.459 -0.259 18788 13790 1 19 . 1 1 64 64 LYS CB C 64 31.900 31.900 32.417 -0.517 18788 13791 1 19 . 1 1 64 64 LYS H H 64 8.000 8.000 7.994 0.006 18788 13792 1 19 . 1 1 65 65 MET N N 65 116.200 116.200 116.240 -0.040 18788 13793 1 19 . 1 1 65 65 MET HA H 65 3.890 3.890 4.150 -0.260 18788 13794 1 19 . 1 1 65 65 MET C C 65 179.200 179.200 178.355 0.845 18788 13795 1 19 . 1 1 65 65 MET CA C 65 59.800 59.800 58.528 1.272 18788 13796 1 19 . 1 1 65 65 MET CB C 65 32.200 32.200 32.565 -0.365 18788 13797 1 19 . 1 1 65 65 MET H H 65 7.680 7.680 7.567 0.113 18788 13798 1 19 . 1 1 66 66 VAL N N 66 107.700 107.700 113.772 -6.072 18788 13799 1 19 . 1 1 66 66 VAL HA H 66 4.150 4.150 3.889 0.261 18788 13800 1 19 . 1 1 66 66 VAL C C 66 177.500 177.500 177.511 -0.011 18788 13801 1 19 . 1 1 66 66 VAL CA C 66 64.300 64.300 64.747 -0.447 18788 13802 1 19 . 1 1 66 66 VAL CB C 66 31.100 31.100 31.499 -0.399 18788 13803 1 19 . 1 1 66 66 VAL H H 66 8.220 8.220 7.582 0.638 18788 13804 1 19 . 1 1 67 67 GLU N N 67 121.000 121.000 118.597 2.403 18788 13805 1 19 . 1 1 67 67 GLU HA H 67 3.960 3.960 4.124 -0.164 18788 13806 1 19 . 1 1 67 67 GLU C C 67 178.000 178.000 177.549 0.451 18788 13807 1 19 . 1 1 67 67 GLU CA C 67 59.200 59.200 58.415 0.785 18788 13808 1 19 . 1 1 67 67 GLU CB C 67 29.100 29.100 29.803 -0.703 18788 13809 1 19 . 1 1 67 67 GLU H H 67 8.750 8.750 8.038 0.712 18788 13810 1 19 . 1 1 68 68 ASN N N 68 113.400 113.400 115.948 -2.548 18788 13811 1 19 . 1 1 68 68 ASN HA H 68 4.660 4.660 4.684 -0.024 18788 13812 1 19 . 1 1 68 68 ASN C C 68 174.600 174.600 174.736 -0.136 18788 13813 1 19 . 1 1 68 68 ASN CA C 68 53.400 53.400 53.567 -0.167 18788 13814 1 19 . 1 1 68 68 ASN CB C 68 38.900 38.900 38.840 0.060 18788 13815 1 19 . 1 1 68 68 ASN H H 68 7.400 7.400 7.793 -0.393 18788 13816 1 19 . 1 1 69 69 ALA N N 69 121.100 121.100 122.787 -1.687 18788 13817 1 19 . 1 1 69 69 ALA HA H 69 4.490 4.490 4.202 0.288 18788 13818 1 19 . 1 1 69 69 ALA C C 69 177.800 177.800 177.109 0.691 18788 13819 1 19 . 1 1 69 69 ALA CA C 69 51.400 51.400 52.280 -0.880 18788 13820 1 19 . 1 1 69 69 ALA CB C 69 19.200 19.200 19.288 -0.088 18788 13821 1 19 . 1 1 69 69 ALA H H 69 6.680 6.680 7.109 -0.429 18788 13822 1 19 . 1 1 70 70 LYS N N 70 125.700 125.700 122.365 3.335 18788 13823 1 19 . 1 1 70 70 LYS HA H 70 4.370 4.370 4.151 0.219 18788 13824 1 19 . 1 1 70 70 LYS C C 70 177.800 177.800 176.750 1.050 18788 13825 1 19 . 1 1 70 70 LYS CA C 70 57.800 57.800 57.426 0.374 18788 13826 1 19 . 1 1 70 70 LYS CB C 70 32.000 32.000 32.885 -0.885 18788 13827 1 19 . 1 1 70 70 LYS H H 70 10.130 10.130 8.642 1.488 18788 13828 1 19 . 1 1 71 71 LYS N N 71 121.300 121.300 118.832 2.468 18788 13829 1 19 . 1 1 71 71 LYS HA H 71 4.660 4.660 4.525 0.135 18788 13830 1 19 . 1 1 71 71 LYS C C 71 174.600 174.600 174.517 0.083 18788 13831 1 19 . 1 1 71 71 LYS CA C 71 55.500 55.500 55.655 -0.155 18788 13832 1 19 . 1 1 71 71 LYS CB C 71 35.400 35.400 33.843 1.558 18788 13833 1 19 . 1 1 71 71 LYS H H 71 8.920 8.920 7.378 1.542 18788 13834 1 19 . 1 1 72 72 ILE N N 72 128.900 128.900 126.625 2.275 18788 13835 1 19 . 1 1 72 72 ILE HA H 72 5.240 5.240 5.057 0.183 18788 13836 1 19 . 1 1 72 72 ILE C C 72 175.300 175.300 175.133 0.167 18788 13837 1 19 . 1 1 72 72 ILE CA C 72 58.700 58.700 60.270 -1.569 18788 13838 1 19 . 1 1 72 72 ILE CB C 72 38.100 38.100 39.437 -1.337 18788 13839 1 19 . 1 1 72 72 ILE H H 72 8.960 8.960 9.000 -0.040 18788 13840 1 19 . 1 1 73 73 GLU N N 73 123.100 123.100 127.093 -3.993 18788 13841 1 19 . 1 1 73 73 GLU HA H 73 5.240 5.240 5.241 -0.001 18788 13842 1 19 . 1 1 73 73 GLU C C 73 174.900 174.900 175.347 -0.447 18788 13843 1 19 . 1 1 73 73 GLU CA C 73 53.600 53.600 54.504 -0.904 18788 13844 1 19 . 1 1 73 73 GLU CB C 73 36.200 36.200 33.825 2.375 18788 13845 1 19 . 1 1 73 73 GLU H H 73 8.810 8.810 9.080 -0.270 18788 13846 1 19 . 1 1 74 74 VAL N N 74 117.300 117.300 119.058 -1.758 18788 13847 1 19 . 1 1 74 74 VAL HA H 74 4.550 4.550 4.674 -0.124 18788 13848 1 19 . 1 1 74 74 VAL C C 74 174.000 174.000 174.257 -0.257 18788 13849 1 19 . 1 1 74 74 VAL CA C 74 59.500 59.500 59.632 -0.132 18788 13850 1 19 . 1 1 74 74 VAL CB C 74 34.200 34.200 32.248 1.952 18788 13851 1 19 . 1 1 74 74 VAL H H 74 9.510 9.510 9.201 0.309 18788 13852 1 19 . 1 1 75 75 GLU N N 75 126.900 126.900 128.739 -1.839 18788 13853 1 19 . 1 1 75 75 GLU HA H 75 5.160 5.160 5.076 0.084 18788 13854 1 19 . 1 1 75 75 GLU C C 75 175.600 175.600 175.396 0.204 18788 13855 1 19 . 1 1 75 75 GLU CA C 75 54.500 54.500 54.181 0.319 18788 13856 1 19 . 1 1 75 75 GLU CB C 75 35.900 35.900 32.010 3.890 18788 13857 1 19 . 1 1 75 75 GLU H H 75 8.860 8.860 9.097 -0.237 18788 13858 1 19 . 1 1 76 76 PHE N N 76 126.400 126.400 126.993 -0.593 18788 13859 1 19 . 1 1 76 76 PHE HA H 76 4.740 4.740 4.883 -0.143 18788 13860 1 19 . 1 1 76 76 PHE C C 76 175.600 175.600 175.969 -0.369 18788 13861 1 19 . 1 1 76 76 PHE CA C 76 59.500 59.500 58.531 0.969 18788 13862 1 19 . 1 1 76 76 PHE CB C 76 39.700 39.700 40.288 -0.588 18788 13863 1 19 . 1 1 76 76 PHE H H 76 8.770 8.770 8.604 0.166 18788 13864 1 19 . 1 1 77 77 ASP N N 77 123.000 123.000 121.600 1.400 18788 13865 1 19 . 1 1 77 77 ASP HA H 77 5.310 5.310 4.999 0.311 18788 13866 1 19 . 1 1 77 77 ASP C C 77 177.600 177.600 176.667 0.933 18788 13867 1 19 . 1 1 77 77 ASP CA C 77 51.800 51.800 53.595 -1.795 18788 13868 1 19 . 1 1 77 77 ASP CB C 77 42.900 42.900 43.574 -0.674 18788 13869 1 19 . 1 1 77 77 ASP H H 77 9.310 9.310 8.752 0.558 18788 13870 1 19 . 1 1 78 78 LYS N N 78 119.100 119.100 117.905 1.195 18788 13871 1 19 . 1 1 78 78 LYS HA H 78 4.240 4.240 4.432 -0.192 18788 13872 1 19 . 1 1 78 78 LYS C C 78 177.100 177.100 177.455 -0.355 18788 13873 1 19 . 1 1 78 78 LYS CA C 78 57.700 57.700 57.910 -0.210 18788 13874 1 19 . 1 1 78 78 LYS CB C 78 33.400 33.400 32.575 0.825 18788 13875 1 19 . 1 1 78 78 LYS H H 78 10.360 10.360 8.682 1.678 18788 13876 1 19 . 1 1 79 79 GLY N N 79 111.100 111.100 108.302 2.798 18788 13877 1 19 . 1 1 79 79 GLY C C 79 173.600 173.600 174.229 -0.629 18788 13878 1 19 . 1 1 79 79 GLY CA C 79 44.500 44.500 44.765 -0.265 18788 13879 1 19 . 1 1 79 79 GLY H H 79 8.680 8.680 7.766 0.914 18788 13880 1 19 . 1 1 80 80 GLN N N 80 124.800 124.800 120.131 4.669 18788 13881 1 19 . 1 1 80 80 GLN HA H 80 4.140 4.140 4.688 -0.548 18788 13882 1 19 . 1 1 80 80 GLN C C 80 176.900 176.900 175.672 1.228 18788 13883 1 19 . 1 1 80 80 GLN CA C 80 57.200 57.200 55.256 1.944 18788 13884 1 19 . 1 1 80 80 GLN CB C 80 29.200 29.200 31.858 -2.658 18788 13885 1 19 . 1 1 80 80 GLN H H 80 8.800 8.800 8.934 -0.134 18788 13886 1 19 . 1 1 81 81 ARG N N 81 120.700 120.700 119.368 1.332 18788 13887 1 19 . 1 1 81 81 ARG HA H 81 4.620 4.620 4.361 0.259 18788 13888 1 19 . 1 1 81 81 ARG C C 81 176.200 176.200 175.004 1.196 18788 13889 1 19 . 1 1 81 81 ARG CA C 81 57.500 57.500 57.216 0.284 18788 13890 1 19 . 1 1 81 81 ARG CB C 81 32.000 32.000 31.242 0.758 18788 13891 1 19 . 1 1 81 81 ARG H H 81 8.640 8.640 8.572 0.068 18788 13892 1 19 . 1 1 82 82 THR N N 82 107.900 107.900 107.837 0.063 18788 13893 1 19 . 1 1 82 82 THR HA H 82 5.540 5.540 4.924 0.616 18788 13894 1 19 . 1 1 82 82 THR C C 82 174.600 174.600 173.402 1.198 18788 13895 1 19 . 1 1 82 82 THR CA C 82 58.400 58.400 59.511 -1.111 18788 13896 1 19 . 1 1 82 82 THR CB C 82 72.500 72.500 72.245 0.255 18788 13897 1 19 . 1 1 82 82 THR H H 82 7.300 7.300 7.362 -0.062 18788 13898 1 19 . 1 1 83 83 ASP N N 83 121.300 121.300 121.401 -0.101 18788 13899 1 19 . 1 1 83 83 ASP HA H 83 4.660 4.660 4.456 0.204 18788 13900 1 19 . 1 1 83 83 ASP C C 83 179.000 179.000 178.009 0.991 18788 13901 1 19 . 1 1 83 83 ASP CA C 83 51.700 51.700 52.974 -1.274 18788 13902 1 19 . 1 1 83 83 ASP CB C 83 42.100 42.100 42.676 -0.576 18788 13903 1 19 . 1 1 83 83 ASP H H 83 8.590 8.590 8.791 -0.201 18788 13904 1 19 . 1 1 85 85 TYR N N 85 119.300 119.300 117.432 1.868 18788 13905 1 19 . 1 1 85 85 TYR HA H 85 4.600 4.600 4.303 0.297 18788 13906 1 19 . 1 1 85 85 TYR C C 85 176.100 176.100 175.942 0.158 18788 13907 1 19 . 1 1 85 85 TYR CA C 85 57.100 57.100 59.085 -1.985 18788 13908 1 19 . 1 1 85 85 TYR CB C 85 37.900 37.900 38.786 -0.886 18788 13909 1 19 . 1 1 85 85 TYR H H 85 7.650 7.650 8.166 -0.516 18788 13910 1 19 . 1 1 86 86 GLY N N 86 108.500 108.500 106.504 1.996 18788 13911 1 19 . 1 1 86 86 GLY C C 86 174.400 174.400 173.554 0.846 18788 13912 1 19 . 1 1 86 86 GLY CA C 86 45.400 45.400 44.759 0.641 18788 13913 1 19 . 1 1 86 86 GLY H H 86 8.120 8.120 7.984 0.136 18788 13914 1 19 . 1 1 87 87 ARG N N 87 121.600 121.600 119.643 1.957 18788 13915 1 19 . 1 1 87 87 ARG HA H 87 4.430 4.430 4.825 -0.395 18788 13916 1 19 . 1 1 87 87 ARG C C 87 177.000 177.000 176.752 0.248 18788 13917 1 19 . 1 1 87 87 ARG CA C 87 55.300 55.300 53.234 2.066 18788 13918 1 19 . 1 1 87 87 ARG CB C 87 30.000 30.000 30.380 -0.380 18788 13919 1 19 . 1 1 87 87 ARG H H 87 8.600 8.600 7.312 1.288 18788 13920 1 19 . 1 1 88 88 GLY N N 88 108.000 108.000 110.608 -2.608 18788 13921 1 19 . 1 1 88 88 GLY C C 88 171.800 171.800 172.814 -1.014 18788 13922 1 19 . 1 1 88 88 GLY CA C 88 44.800 44.800 44.542 0.258 18788 13923 1 19 . 1 1 88 88 GLY H H 88 8.780 8.780 8.696 0.084 18788 13924 1 19 . 1 1 89 89 LEU N N 89 125.100 125.100 126.773 -1.673 18788 13925 1 19 . 1 1 89 89 LEU HA H 89 5.190 5.190 4.588 0.602 18788 13926 1 19 . 1 1 89 89 LEU C C 89 174.800 174.800 175.357 -0.557 18788 13927 1 19 . 1 1 89 89 LEU CA C 89 52.800 52.800 53.885 -1.085 18788 13928 1 19 . 1 1 89 89 LEU CB C 89 42.900 42.900 41.375 1.525 18788 13929 1 19 . 1 1 89 89 LEU H H 89 8.220 8.220 8.544 -0.324 18788 13930 1 19 . 1 1 90 90 ALA N N 90 119.900 119.900 124.033 -4.133 18788 13931 1 19 . 1 1 90 90 ALA HA H 90 4.790 4.790 4.568 0.222 18788 13932 1 19 . 1 1 90 90 ALA C C 90 177.000 177.000 175.829 1.171 18788 13933 1 19 . 1 1 90 90 ALA CA C 90 50.800 50.800 50.143 0.657 18788 13934 1 19 . 1 1 90 90 ALA CB C 90 23.700 23.700 22.195 1.505 18788 13935 1 19 . 1 1 90 90 ALA H H 90 7.400 7.400 7.733 -0.333 18788 13936 1 19 . 1 1 91 91 TYR N N 91 122.400 122.400 119.726 2.674 18788 13937 1 19 . 1 1 91 91 TYR HA H 91 4.650 4.650 4.659 -0.009 18788 13938 1 19 . 1 1 91 91 TYR C C 91 174.600 174.600 175.686 -1.086 18788 13939 1 19 . 1 1 91 91 TYR CA C 91 57.200 57.200 57.779 -0.579 18788 13940 1 19 . 1 1 91 91 TYR CB C 91 37.600 37.600 38.681 -1.081 18788 13941 1 19 . 1 1 91 91 TYR H H 91 9.000 9.000 8.828 0.172 18788 13942 1 19 . 1 1 92 92 ILE N N 92 122.200 122.200 124.536 -2.336 18788 13943 1 19 . 1 1 92 92 ILE HA H 92 4.950 4.950 4.640 0.310 18788 13944 1 19 . 1 1 92 92 ILE C C 92 173.700 173.700 175.216 -1.516 18788 13945 1 19 . 1 1 92 92 ILE CA C 92 58.700 58.700 60.598 -1.898 18788 13946 1 19 . 1 1 92 92 ILE CB C 92 38.900 38.900 39.200 -0.299 18788 13947 1 19 . 1 1 92 92 ILE H H 92 7.830 7.830 9.298 -1.468 18788 13948 1 19 . 1 1 93 93 TYR N N 93 126.200 126.200 127.187 -0.987 18788 13949 1 19 . 1 1 93 93 TYR HA H 93 5.080 5.080 5.119 -0.039 18788 13950 1 19 . 1 1 93 93 TYR C C 93 173.900 173.900 174.520 -0.620 18788 13951 1 19 . 1 1 93 93 TYR CA C 93 56.500 56.500 56.077 0.423 18788 13952 1 19 . 1 1 93 93 TYR CB C 93 41.500 41.500 40.257 1.243 18788 13953 1 19 . 1 1 93 93 TYR H H 93 9.540 9.540 9.339 0.201 18788 13954 1 19 . 1 1 94 94 ALA N N 94 125.700 125.700 126.886 -1.186 18788 13955 1 19 . 1 1 94 94 ALA HA H 94 4.960 4.960 4.598 0.362 18788 13956 1 19 . 1 1 94 94 ALA C C 94 175.700 175.700 176.922 -1.222 18788 13957 1 19 . 1 1 94 94 ALA CA C 94 49.700 49.700 49.876 -0.176 18788 13958 1 19 . 1 1 94 94 ALA CB C 94 20.900 20.900 19.670 1.230 18788 13959 1 19 . 1 1 94 94 ALA H H 94 9.230 9.230 9.173 0.057 18788 13960 1 19 . 1 1 95 95 ASP N N 95 127.600 127.600 126.450 1.150 18788 13961 1 19 . 1 1 95 95 ASP HA H 95 4.430 4.430 4.263 0.167 18788 13962 1 19 . 1 1 95 95 ASP C C 95 176.100 176.100 176.342 -0.242 18788 13963 1 19 . 1 1 95 95 ASP CA C 95 56.500 56.500 55.559 0.941 18788 13964 1 19 . 1 1 95 95 ASP CB C 95 39.500 39.500 40.255 -0.755 18788 13965 1 19 . 1 1 95 95 ASP H H 95 9.720 9.720 9.231 0.489 18788 13966 1 19 . 1 1 96 96 GLY N N 96 103.000 103.000 104.584 -1.584 18788 13967 1 19 . 1 1 96 96 GLY C C 96 173.800 173.800 174.086 -0.286 18788 13968 1 19 . 1 1 96 96 GLY CA C 96 45.400 45.400 45.246 0.154 18788 13969 1 19 . 1 1 96 96 GLY H H 96 9.420 9.420 8.921 0.499 18788 13970 1 19 . 1 1 97 97 LYS N N 97 121.400 121.400 122.362 -0.962 18788 13971 1 19 . 1 1 97 97 LYS HA H 97 4.670 4.670 4.695 -0.025 18788 13972 1 19 . 1 1 97 97 LYS C C 97 176.000 176.000 175.171 0.829 18788 13973 1 19 . 1 1 97 97 LYS CA C 97 54.200 54.200 54.551 -0.351 18788 13974 1 19 . 1 1 97 97 LYS CB C 97 33.100 33.100 33.756 -0.656 18788 13975 1 19 . 1 1 97 97 LYS H H 97 7.870 7.870 8.049 -0.179 18788 13976 1 19 . 1 1 98 98 MET N N 98 127.000 127.000 126.134 0.866 18788 13977 1 19 . 1 1 98 98 MET HA H 98 3.780 3.780 4.039 -0.259 18788 13978 1 19 . 1 1 98 98 MET C C 98 177.700 177.700 176.749 0.951 18788 13979 1 19 . 1 1 98 98 MET CA C 98 56.100 56.100 55.994 0.106 18788 13980 1 19 . 1 1 98 98 MET CB C 98 34.700 34.700 32.469 2.231 18788 13981 1 19 . 1 1 98 98 MET H H 98 9.280 9.280 9.071 0.209 18788 13982 1 19 . 1 1 99 99 VAL N N 99 103.700 103.700 127.698 -23.998 18788 13983 1 19 . 1 1 99 99 VAL HA H 99 3.730 3.730 3.508 0.222 18788 13984 1 19 . 1 1 99 99 VAL C C 99 177.200 177.200 177.745 -0.545 18788 13985 1 19 . 1 1 99 99 VAL CA C 99 66.100 66.100 66.196 -0.096 18788 13986 1 19 . 1 1 99 99 VAL CB C 99 32.400 32.400 31.104 1.296 18788 13987 1 19 . 1 1 99 99 VAL H H 99 10.190 10.190 8.889 1.301 18788 13988 1 19 . 1 1 100 100 ASN N N 100 108.600 108.600 117.079 -8.479 18788 13989 1 19 . 1 1 100 100 ASN HA H 100 4.080 4.080 4.278 -0.198 18788 13990 1 19 . 1 1 100 100 ASN C C 100 174.200 174.200 177.153 -2.953 18788 13991 1 19 . 1 1 100 100 ASN CA C 100 57.200 57.200 57.147 0.053 18788 13992 1 19 . 1 1 100 100 ASN CB C 100 34.700 34.700 37.870 -3.170 18788 13993 1 19 . 1 1 100 100 ASN H H 100 9.670 9.670 8.002 1.668 18788 13994 1 19 . 1 1 101 101 GLU N N 101 112.800 112.800 120.469 -7.669 18788 13995 1 19 . 1 1 101 101 GLU HA H 101 3.660 3.660 3.952 -0.292 18788 13996 1 19 . 1 1 101 101 GLU C C 101 176.100 176.100 178.122 -2.022 18788 13997 1 19 . 1 1 101 101 GLU CA C 101 59.800 59.800 59.434 0.366 18788 13998 1 19 . 1 1 101 101 GLU CB C 101 30.200 30.200 29.477 0.723 18788 13999 1 19 . 1 1 101 101 GLU H H 101 6.150 6.150 7.477 -1.327 18788 14000 1 19 . 1 1 102 102 ALA N N 102 122.600 122.600 122.915 -0.315 18788 14001 1 19 . 1 1 102 102 ALA HA H 102 4.070 4.070 4.099 -0.029 18788 14002 1 19 . 1 1 102 102 ALA C C 102 179.800 179.800 180.144 -0.344 18788 14003 1 19 . 1 1 102 102 ALA CA C 102 55.300 55.300 55.270 0.030 18788 14004 1 19 . 1 1 102 102 ALA CB C 102 17.900 17.900 18.226 -0.326 18788 14005 1 19 . 1 1 102 102 ALA H H 102 7.810 7.810 8.265 -0.455 18788 14006 1 19 . 1 1 103 103 LEU N N 103 116.100 116.100 118.332 -2.232 18788 14007 1 19 . 1 1 103 103 LEU HA H 103 3.280 3.280 4.127 -0.847 18788 14008 1 19 . 1 1 103 103 LEU C C 103 178.900 178.900 179.154 -0.254 18788 14009 1 19 . 1 1 103 103 LEU CA C 103 57.800 57.800 58.037 -0.237 18788 14010 1 19 . 1 1 103 103 LEU CB C 103 45.500 45.500 41.616 3.884 18788 14011 1 19 . 1 1 103 103 LEU H H 103 8.070 8.070 8.516 -0.446 18788 14012 1 19 . 1 1 104 104 VAL N N 104 116.600 116.600 119.128 -2.528 18788 14013 1 19 . 1 1 104 104 VAL HA H 104 3.870 3.870 4.129 -0.259 18788 14014 1 19 . 1 1 104 104 VAL C C 104 180.300 180.300 179.154 1.146 18788 14015 1 19 . 1 1 104 104 VAL CA C 104 65.000 65.000 66.259 -1.259 18788 14016 1 19 . 1 1 104 104 VAL CB C 104 32.000 32.000 31.840 0.160 18788 14017 1 19 . 1 1 104 104 VAL H H 104 6.890 6.890 7.664 -0.774 18788 14018 1 19 . 1 1 105 105 ARG N N 105 122.400 122.400 117.363 5.037 18788 14019 1 19 . 1 1 105 105 ARG HA H 105 4.130 4.130 4.514 -0.384 18788 14020 1 19 . 1 1 105 105 ARG C C 105 176.000 176.000 177.739 -1.739 18788 14021 1 19 . 1 1 105 105 ARG CA C 105 57.000 57.000 57.729 -0.729 18788 14022 1 19 . 1 1 105 105 ARG CB C 105 28.300 28.300 29.718 -1.417 18788 14023 1 19 . 1 1 105 105 ARG H H 105 9.140 9.140 8.479 0.661 18788 14024 1 19 . 1 1 106 106 GLN N N 106 112.000 112.000 118.969 -6.969 18788 14025 1 19 . 1 1 106 106 GLN HA H 106 4.320 4.320 4.407 -0.086 18788 14026 1 19 . 1 1 106 106 GLN C C 106 175.600 175.600 175.492 0.108 18788 14027 1 19 . 1 1 106 106 GLN CA C 106 53.800 53.800 54.657 -0.858 18788 14028 1 19 . 1 1 106 106 GLN CB C 106 28.300 28.300 29.808 -1.508 18788 14029 1 19 . 1 1 106 106 GLN H H 106 7.120 7.120 7.832 -0.712 18788 14030 1 19 . 1 1 107 107 GLY N N 107 107.100 107.100 107.021 0.079 18788 14031 1 19 . 1 1 107 107 GLY C C 107 172.400 172.400 174.321 -1.921 18788 14032 1 19 . 1 1 107 107 GLY CA C 107 46.300 46.300 46.076 0.224 18788 14033 1 19 . 1 1 107 107 GLY H H 107 8.080 8.080 7.842 0.238 18788 14034 1 19 . 1 1 108 108 LEU N N 108 115.100 115.100 118.583 -3.483 18788 14035 1 19 . 1 1 108 108 LEU HA H 108 4.300 4.300 4.598 -0.298 18788 14036 1 19 . 1 1 108 108 LEU C C 108 172.500 172.500 174.810 -2.310 18788 14037 1 19 . 1 1 108 108 LEU CA C 108 53.300 53.300 54.211 -0.911 18788 14038 1 19 . 1 1 108 108 LEU CB C 108 43.500 43.500 42.731 0.769 18788 14039 1 19 . 1 1 108 108 LEU H H 108 7.810 7.810 8.717 -0.907 18788 14040 1 19 . 1 1 109 109 ALA N N 109 112.900 112.900 119.144 -6.244 18788 14041 1 19 . 1 1 109 109 ALA HA H 109 4.500 4.500 4.841 -0.341 18788 14042 1 19 . 1 1 109 109 ALA C C 109 174.800 174.800 175.735 -0.935 18788 14043 1 19 . 1 1 109 109 ALA CA C 109 49.900 49.900 51.148 -1.248 18788 14044 1 19 . 1 1 109 109 ALA CB C 109 24.900 24.900 22.059 2.841 18788 14045 1 19 . 1 1 109 109 ALA H H 109 6.950 6.950 7.457 -0.507 18788 14046 1 19 . 1 1 110 110 LYS N N 110 117.700 117.700 120.377 -2.677 18788 14047 1 19 . 1 1 110 110 LYS HA H 110 5.120 5.120 4.850 0.270 18788 14048 1 19 . 1 1 110 110 LYS C C 110 175.800 175.800 175.840 -0.040 18788 14049 1 19 . 1 1 110 110 LYS CA C 110 53.800 53.800 54.382 -0.582 18788 14050 1 19 . 1 1 110 110 LYS CB C 110 35.300 35.300 35.037 0.263 18788 14051 1 19 . 1 1 110 110 LYS H H 110 7.890 7.890 8.643 -0.753 18788 14052 1 19 . 1 1 111 111 VAL N N 111 123.100 123.100 122.076 1.024 18788 14053 1 19 . 1 1 111 111 VAL HA H 111 4.630 4.630 4.512 0.118 18788 14054 1 19 . 1 1 111 111 VAL C C 111 176.500 176.500 175.507 0.993 18788 14055 1 19 . 1 1 111 111 VAL CA C 111 63.100 63.100 61.851 1.249 18788 14056 1 19 . 1 1 111 111 VAL CB C 111 30.600 30.600 30.591 0.009 18788 14057 1 19 . 1 1 111 111 VAL H H 111 9.180 9.180 9.282 -0.102 18788 14058 1 19 . 1 1 112 112 ALA N N 112 131.500 131.500 130.863 0.637 18788 14059 1 19 . 1 1 112 112 ALA HA H 112 4.150 4.150 4.611 -0.461 18788 14060 1 19 . 1 1 112 112 ALA C C 112 173.300 173.300 175.933 -2.633 18788 14061 1 19 . 1 1 112 112 ALA CA C 112 51.300 51.300 50.173 1.127 18788 14062 1 19 . 1 1 112 112 ALA CB C 112 23.900 23.900 21.385 2.515 18788 14063 1 19 . 1 1 112 112 ALA H H 112 8.000 8.000 8.391 -0.391 18788 14064 1 19 . 1 1 114 114 VAL N N 114 123.100 123.100 123.921 -0.821 18788 14065 1 19 . 1 1 114 114 VAL HA H 114 3.550 3.550 4.212 -0.662 18788 14066 1 19 . 1 1 114 114 VAL C C 114 174.600 174.600 175.864 -1.264 18788 14067 1 19 . 1 1 114 114 VAL CA C 114 62.000 62.000 61.843 0.157 18788 14068 1 19 . 1 1 114 114 VAL CB C 114 30.300 30.300 32.656 -2.356 18788 14069 1 19 . 1 1 114 114 VAL H H 114 7.480 7.480 8.367 -0.887 18788 14070 1 19 . 1 1 115 115 TYR N N 115 130.100 130.100 129.616 0.484 18788 14071 1 19 . 1 1 115 115 TYR HA H 115 4.940 4.940 4.573 0.367 18788 14072 1 19 . 1 1 115 115 TYR C C 115 175.700 175.700 174.797 0.903 18788 14073 1 19 . 1 1 115 115 TYR CA C 115 54.900 54.900 57.306 -2.406 18788 14074 1 19 . 1 1 115 115 TYR CB C 115 38.200 38.200 38.211 -0.011 18788 14075 1 19 . 1 1 115 115 TYR H H 115 8.970 8.970 8.711 0.259 18788 14076 1 19 . 1 1 116 116 LYS N N 116 125.400 125.400 128.453 -3.053 18788 14077 1 19 . 1 1 116 116 LYS HA H 116 3.940 3.940 4.446 -0.506 18788 14078 1 19 . 1 1 116 116 LYS C C 116 175.100 175.100 175.166 -0.066 18788 14079 1 19 . 1 1 116 116 LYS CA C 116 56.400 56.400 54.599 1.801 18788 14080 1 19 . 1 1 116 116 LYS CB C 116 31.600 31.600 32.022 -0.422 18788 14081 1 19 . 1 1 116 116 LYS H H 116 8.770 8.770 8.166 0.604 18788 14082 1 19 . 1 1 117 117 PRO HA H 117 4.620 4.620 4.549 0.071 18788 14083 1 19 . 1 1 117 117 PRO C C 117 175.600 175.600 175.813 -0.213 18788 14084 1 19 . 1 1 117 117 PRO CA C 117 64.100 64.100 62.899 1.201 18788 14085 1 19 . 1 1 117 117 PRO CB C 117 32.600 32.600 31.801 0.799 18788 14086 1 19 . 1 1 118 118 ASN N N 118 128.800 128.800 121.014 7.786 18788 14087 1 19 . 1 1 118 118 ASN HA H 118 5.310 5.310 5.077 0.233 18788 14088 1 19 . 1 1 118 118 ASN C C 118 174.500 174.500 174.208 0.292 18788 14089 1 19 . 1 1 118 118 ASN CA C 118 51.600 51.600 53.312 -1.712 18788 14090 1 19 . 1 1 118 118 ASN CB C 118 36.200 36.200 37.166 -0.966 18788 14091 1 19 . 1 1 118 118 ASN H H 118 8.710 8.710 7.701 1.009 18788 14092 1 19 . 1 1 119 119 ASN N N 119 117.600 117.600 117.219 0.381 18788 14093 1 19 . 1 1 119 119 ASN HA H 119 5.020 5.020 4.939 0.081 18788 14094 1 19 . 1 1 119 119 ASN C C 119 177.500 177.500 176.111 1.389 18788 14095 1 19 . 1 1 119 119 ASN CA C 119 51.900 51.900 53.028 -1.128 18788 14096 1 19 . 1 1 119 119 ASN CB C 119 39.100 39.100 39.776 -0.676 18788 14097 1 19 . 1 1 119 119 ASN H H 119 8.120 8.120 8.078 0.042 18788 14098 1 19 . 1 1 120 120 THR N N 120 124.400 124.400 118.788 5.612 18788 14099 1 19 . 1 1 120 120 THR HA H 120 3.850 3.850 4.104 -0.254 18788 14100 1 19 . 1 1 120 120 THR C C 120 176.400 176.400 175.052 1.348 18788 14101 1 19 . 1 1 120 120 THR CA C 120 69.100 69.100 66.903 2.197 18788 14102 1 19 . 1 1 120 120 THR CB C 120 66.800 66.800 68.879 -2.079 18788 14103 1 19 . 1 1 120 120 THR H H 120 10.730 10.730 8.362 2.368 18788 14104 1 19 . 1 1 121 121 HIS N N 121 113.400 113.400 118.908 -5.508 18788 14105 1 19 . 1 1 121 121 HIS HA H 121 5.420 5.420 4.789 0.631 18788 14106 1 19 . 1 1 121 121 HIS C C 121 174.800 174.800 175.660 -0.860 18788 14107 1 19 . 1 1 121 121 HIS CA C 121 53.900 53.900 54.865 -0.965 18788 14108 1 19 . 1 1 121 121 HIS CB C 121 29.400 29.400 29.564 -0.164 18788 14109 1 19 . 1 1 121 121 HIS H H 121 6.860 6.860 7.765 -0.905 18788 14110 1 19 . 1 1 122 122 GLU N N 122 120.200 120.200 120.592 -0.392 18788 14111 1 19 . 1 1 122 122 GLU HA H 122 3.700 3.700 4.004 -0.304 18788 14112 1 19 . 1 1 122 122 GLU C C 122 177.200 177.200 178.209 -1.009 18788 14113 1 19 . 1 1 122 122 GLU CA C 122 61.200 61.200 59.841 1.359 18788 14114 1 19 . 1 1 122 122 GLU CB C 122 29.900 29.900 29.203 0.698 18788 14115 1 19 . 1 1 122 122 GLU H H 122 7.540 7.540 7.907 -0.367 18788 14116 1 19 . 1 1 123 123 GLN N N 123 117.200 117.200 118.099 -0.899 18788 14117 1 19 . 1 1 123 123 GLN HA H 123 3.970 3.970 4.119 -0.149 18788 14118 1 19 . 1 1 123 123 GLN C C 123 178.600 178.600 178.038 0.562 18788 14119 1 19 . 1 1 123 123 GLN CA C 123 59.500 59.500 58.273 1.227 18788 14120 1 19 . 1 1 123 123 GLN CB C 123 27.100 27.100 28.021 -0.921 18788 14121 1 19 . 1 1 123 123 GLN H H 123 8.920 8.920 8.157 0.763 18788 14122 1 19 . 1 1 124 124 LEU N N 124 122.000 122.000 121.771 0.229 18788 14123 1 19 . 1 1 124 124 LEU HA H 124 4.090 4.090 4.092 -0.002 18788 14124 1 19 . 1 1 124 124 LEU C C 124 179.100 179.100 178.766 0.334 18788 14125 1 19 . 1 1 124 124 LEU CA C 124 58.600 58.600 57.257 1.343 18788 14126 1 19 . 1 1 124 124 LEU CB C 124 42.000 42.000 41.184 0.816 18788 14127 1 19 . 1 1 124 124 LEU H H 124 7.940 7.940 7.826 0.114 18788 14128 1 19 . 1 1 125 125 LEU N N 125 118.900 118.900 118.278 0.622 18788 14129 1 19 . 1 1 125 125 LEU HA H 125 4.000 4.000 3.972 0.028 18788 14130 1 19 . 1 1 125 125 LEU C C 125 179.200 179.200 179.248 -0.048 18788 14131 1 19 . 1 1 125 125 LEU CA C 125 58.900 58.900 57.926 0.974 18788 14132 1 19 . 1 1 125 125 LEU CB C 125 41.100 41.100 41.339 -0.239 18788 14133 1 19 . 1 1 125 125 LEU H H 125 8.030 8.030 8.332 -0.302 18788 14134 1 19 . 1 1 126 126 ARG N N 126 118.800 118.800 119.606 -0.806 18788 14135 1 19 . 1 1 126 126 ARG HA H 126 4.030 4.030 3.959 0.071 18788 14136 1 19 . 1 1 126 126 ARG C C 126 179.700 179.700 178.507 1.193 18788 14137 1 19 . 1 1 126 126 ARG CA C 126 60.600 60.600 59.992 0.608 18788 14138 1 19 . 1 1 126 126 ARG CB C 126 29.100 29.100 30.087 -0.987 18788 14139 1 19 . 1 1 126 126 ARG H H 126 9.010 9.010 8.094 0.916 18788 14140 1 19 . 1 1 127 127 LYS N N 127 122.700 122.700 119.747 2.953 18788 14141 1 19 . 1 1 127 127 LYS HA H 127 4.150 4.150 4.067 0.083 18788 14142 1 19 . 1 1 127 127 LYS C C 127 179.800 179.800 178.990 0.810 18788 14143 1 19 . 1 1 127 127 LYS CA C 127 60.100 60.100 59.059 1.041 18788 14144 1 19 . 1 1 127 127 LYS CB C 127 31.700 31.700 31.355 0.345 18788 14145 1 19 . 1 1 127 127 LYS H H 127 8.160 8.160 7.972 0.188 18788 14146 1 19 . 1 1 128 128 SER N N 128 118.300 118.300 117.092 1.208 18788 14147 1 19 . 1 1 128 128 SER HA H 128 4.320 4.320 4.168 0.152 18788 14148 1 19 . 1 1 128 128 SER C C 128 175.500 175.500 176.000 -0.500 18788 14149 1 19 . 1 1 128 128 SER CA C 128 63.600 63.600 62.082 1.518 18788 14150 1 19 . 1 1 128 128 SER CB C 128 62.600 62.600 62.896 -0.296 18788 14151 1 19 . 1 1 128 128 SER H H 128 7.830 7.830 7.595 0.235 18788 14152 1 19 . 1 1 129 129 GLU N N 129 125.200 125.200 123.243 1.957 18788 14153 1 19 . 1 1 129 129 GLU HA H 129 3.900 3.900 4.058 -0.158 18788 14154 1 19 . 1 1 129 129 GLU C C 129 177.400 177.400 178.213 -0.813 18788 14155 1 19 . 1 1 129 129 GLU CA C 129 59.200 59.200 59.318 -0.117 18788 14156 1 19 . 1 1 129 129 GLU CB C 129 30.900 30.900 29.739 1.161 18788 14157 1 19 . 1 1 129 129 GLU H H 129 8.580 8.580 8.203 0.378 18788 14158 1 19 . 1 1 130 130 ALA N N 130 119.500 119.500 121.749 -2.249 18788 14159 1 19 . 1 1 130 130 ALA HA H 130 3.850 3.850 3.851 -0.001 18788 14160 1 19 . 1 1 130 130 ALA C C 130 181.000 181.000 179.949 1.051 18788 14161 1 19 . 1 1 130 130 ALA CA C 130 55.000 55.000 55.206 -0.206 18788 14162 1 19 . 1 1 130 130 ALA CB C 130 17.600 17.600 17.920 -0.320 18788 14163 1 19 . 1 1 130 130 ALA H H 130 7.950 7.950 8.221 -0.271 18788 14164 1 19 . 1 1 131 131 GLN N N 131 118.600 118.600 118.370 0.230 18788 14165 1 19 . 1 1 131 131 GLN HA H 131 3.990 3.990 3.933 0.057 18788 14166 1 19 . 1 1 131 131 GLN C C 131 177.200 177.200 178.425 -1.225 18788 14167 1 19 . 1 1 131 131 GLN CA C 131 58.800 58.800 58.677 0.123 18788 14168 1 19 . 1 1 131 131 GLN CB C 131 28.000 28.000 28.478 -0.478 18788 14169 1 19 . 1 1 131 131 GLN H H 131 7.520 7.520 7.768 -0.248 18788 14170 1 19 . 1 1 132 132 ALA N N 132 123.100 123.100 121.725 1.375 18788 14171 1 19 . 1 1 132 132 ALA HA H 132 3.930 3.930 4.008 -0.078 18788 14172 1 19 . 1 1 132 132 ALA C C 132 179.500 179.500 179.255 0.245 18788 14173 1 19 . 1 1 132 132 ALA CA C 132 55.600 55.600 55.035 0.565 18788 14174 1 19 . 1 1 132 132 ALA CB C 132 18.400 18.400 18.439 -0.039 18788 14175 1 19 . 1 1 132 132 ALA H H 132 8.000 8.000 8.134 -0.134 18788 14176 1 19 . 1 1 133 133 LYS N N 133 117.200 117.200 118.056 -0.856 18788 14177 1 19 . 1 1 133 133 LYS HA H 133 3.450 3.450 3.221 0.229 18788 14178 1 19 . 1 1 133 133 LYS C C 133 180.800 180.800 179.459 1.341 18788 14179 1 19 . 1 1 133 133 LYS CA C 133 59.500 59.500 59.173 0.327 18788 14180 1 19 . 1 1 133 133 LYS CB C 133 32.200 32.200 31.947 0.253 18788 14181 1 19 . 1 1 133 133 LYS H H 133 8.170 8.170 7.891 0.279 18788 14182 1 19 . 1 1 134 134 LYS N N 134 122.600 122.600 118.542 4.058 18788 14183 1 19 . 1 1 134 134 LYS HA H 134 3.960 3.960 4.044 -0.084 18788 14184 1 19 . 1 1 134 134 LYS C C 134 178.700 178.700 178.580 0.120 18788 14185 1 19 . 1 1 134 134 LYS CA C 134 59.200 59.200 58.849 0.351 18788 14186 1 19 . 1 1 134 134 LYS CB C 134 32.200 32.200 32.169 0.031 18788 14187 1 19 . 1 1 134 134 LYS H H 134 7.830 7.830 7.882 -0.052 18788 14188 1 19 . 1 1 135 135 GLU N N 135 116.500 116.500 117.959 -1.459 18788 14189 1 19 . 1 1 135 135 GLU HA H 135 4.030 4.030 4.338 -0.308 18788 14190 1 19 . 1 1 135 135 GLU C C 135 174.500 174.500 175.581 -1.081 18788 14191 1 19 . 1 1 135 135 GLU CA C 135 56.700 56.700 55.823 0.877 18788 14192 1 19 . 1 1 135 135 GLU CB C 135 29.700 29.700 29.676 0.024 18788 14193 1 19 . 1 1 135 135 GLU H H 135 7.680 7.680 7.621 0.059 18788 14194 1 19 . 1 1 136 136 LYS N N 136 116.800 116.800 116.749 0.051 18788 14195 1 19 . 1 1 136 136 LYS HA H 136 3.540 3.540 3.955 -0.415 18788 14196 1 19 . 1 1 136 136 LYS C C 136 175.000 175.000 175.977 -0.977 18788 14197 1 19 . 1 1 136 136 LYS CA C 136 56.800 56.800 56.803 -0.003 18788 14198 1 19 . 1 1 136 136 LYS CB C 136 28.800 28.800 29.421 -0.621 18788 14199 1 19 . 1 1 136 136 LYS H H 136 7.820 7.820 7.524 0.296 18788 14200 1 19 . 1 1 137 137 LEU N N 137 117.000 117.000 118.479 -1.479 18788 14201 1 19 . 1 1 137 137 LEU HA H 137 4.190 4.190 4.192 -0.002 18788 14202 1 19 . 1 1 137 137 LEU C C 137 178.500 178.500 178.313 0.187 18788 14203 1 19 . 1 1 137 137 LEU CA C 137 55.000 55.000 55.214 -0.214 18788 14204 1 19 . 1 1 137 137 LEU CB C 137 44.000 44.000 42.471 1.529 18788 14205 1 19 . 1 1 137 137 LEU H H 137 7.650 7.650 7.982 -0.332 18788 14206 1 19 . 1 1 138 138 ASN N N 138 118.700 118.700 118.851 -0.151 18788 14207 1 19 . 1 1 138 138 ASN HA H 138 3.730 3.730 4.262 -0.532 18788 14208 1 19 . 1 1 138 138 ASN C C 138 176.300 176.300 177.439 -1.139 18788 14209 1 19 . 1 1 138 138 ASN CA C 138 56.600 56.600 55.856 0.744 18788 14210 1 19 . 1 1 138 138 ASN CB C 138 38.700 38.700 38.145 0.555 18788 14211 1 19 . 1 1 138 138 ASN H H 138 9.050 9.050 8.959 0.091 18788 14212 1 19 . 1 1 139 139 ILE N N 139 123.800 123.800 113.483 10.317 18788 14213 1 19 . 1 1 139 139 ILE HA H 139 3.380 3.380 4.057 -0.677 18788 14214 1 19 . 1 1 139 139 ILE C C 139 176.700 176.700 176.116 0.584 18788 14215 1 19 . 1 1 139 139 ILE CA C 139 65.700 65.700 62.457 3.243 18788 14216 1 19 . 1 1 139 139 ILE CB C 139 37.000 37.000 37.551 -0.551 18788 14217 1 19 . 1 1 139 139 ILE H H 139 8.350 8.350 7.221 1.129 18788 14218 1 19 . 1 1 140 140 TRP N N 140 119.700 119.700 119.701 -0.001 18788 14219 1 19 . 1 1 140 140 TRP HA H 140 4.940 4.940 4.758 0.182 18788 14220 1 19 . 1 1 140 140 TRP C C 140 176.200 176.200 176.661 -0.461 18788 14221 1 19 . 1 1 140 140 TRP CA C 140 54.900 54.900 56.966 -2.066 18788 14222 1 19 . 1 1 140 140 TRP CB C 140 30.000 30.000 30.101 -0.101 18788 14223 1 19 . 1 1 140 140 TRP H H 140 7.850 7.850 8.223 -0.373 18788 14224 1 19 . 1 1 141 141 SER N N 141 116.100 116.100 115.444 0.656 18788 14225 1 19 . 1 1 141 141 SER HA H 141 4.220 4.220 4.535 -0.315 18788 14226 1 19 . 1 1 141 141 SER C C 141 175.200 175.200 175.121 0.079 18788 14227 1 19 . 1 1 141 141 SER CA C 141 59.800 59.800 57.511 2.289 18788 14228 1 19 . 1 1 141 141 SER CB C 141 64.600 64.600 63.893 0.707 18788 14229 1 19 . 1 1 141 141 SER H H 141 8.080 8.080 7.667 0.413 18788 14230 1 19 . 1 1 142 142 GLU N N 142 121.200 121.200 120.148 1.052 18788 14231 1 19 . 1 1 142 142 GLU HA H 142 4.430 4.430 4.136 0.294 18788 14232 1 19 . 1 1 142 142 GLU C C 142 176.200 176.200 176.689 -0.489 18788 14233 1 19 . 1 1 142 142 GLU CA C 142 56.100 56.100 58.679 -2.579 18788 14234 1 19 . 1 1 142 142 GLU CB C 142 30.500 30.500 29.810 0.690 18788 14235 1 19 . 1 1 142 142 GLU H H 142 8.020 8.020 8.719 -0.699 18788 14236 1 19 . 1 1 143 143 ASP N N 143 121.400 121.400 117.587 3.813 18788 14237 1 19 . 1 1 143 143 ASP HA H 143 4.620 4.620 4.584 0.036 18788 14238 1 19 . 1 1 143 143 ASP C C 143 176.100 176.100 175.722 0.378 18788 14239 1 19 . 1 1 143 143 ASP CA C 143 54.800 54.800 54.377 0.423 18788 14240 1 19 . 1 1 143 143 ASP CB C 143 41.200 41.200 40.865 0.335 18788 14241 1 19 . 1 1 143 143 ASP H H 143 8.370 8.370 8.112 0.258 18788 14242 1 19 . 1 1 144 144 ASN N N 144 119.300 119.300 125.389 -6.089 18788 14243 1 19 . 1 1 144 144 ASN HA H 144 4.760 4.760 4.612 0.148 18788 14244 1 19 . 1 1 144 144 ASN C C 144 175.200 175.200 175.501 -0.301 18788 14245 1 19 . 1 1 144 144 ASN CA C 144 53.200 53.200 54.536 -1.336 18788 14246 1 19 . 1 1 144 144 ASN CB C 144 39.000 39.000 39.410 -0.410 18788 14247 1 19 . 1 1 144 144 ASN H H 144 8.400 8.400 8.037 0.363 18788 14248 1 19 . 1 1 145 145 ALA N N 145 124.300 124.300 120.804 3.496 18788 14249 1 19 . 1 1 145 145 ALA HA H 145 4.310 4.310 4.547 -0.237 18788 14250 1 19 . 1 1 145 145 ALA C C 145 177.700 177.700 175.700 2.000 18788 14251 1 19 . 1 1 145 145 ALA CA C 145 53.300 53.300 51.672 1.628 18788 14252 1 19 . 1 1 145 145 ALA CB C 145 19.200 19.200 19.777 -0.577 18788 14253 1 19 . 1 1 145 145 ALA H H 145 8.240 8.240 8.333 -0.093 18788 14254 1 19 . 1 1 146 146 ASP N N 146 119.200 119.200 118.909 0.291 18788 14255 1 19 . 1 1 146 146 ASP HA H 146 4.670 4.670 4.788 -0.118 18788 14256 1 19 . 1 1 146 146 ASP C C 146 176.400 176.400 175.679 0.721 18788 14257 1 19 . 1 1 146 146 ASP CA C 146 54.400 54.400 53.349 1.051 18788 14258 1 19 . 1 1 146 146 ASP CB C 146 41.200 41.200 42.526 -1.326 18788 14259 1 19 . 1 1 146 146 ASP H H 146 8.340 8.340 7.989 0.351 18788 14260 1 19 . 1 1 147 147 SER N N 147 116.100 116.100 119.840 -3.740 18788 14261 1 19 . 1 1 147 147 SER HA H 147 4.450 4.450 4.564 -0.114 18788 14262 1 19 . 1 1 147 147 SER C C 147 175.200 175.200 174.760 0.440 18788 14263 1 19 . 1 1 147 147 SER CA C 147 58.900 58.900 58.750 0.150 18788 14264 1 19 . 1 1 147 147 SER CB C 147 64.100 64.100 63.649 0.451 18788 14265 1 19 . 1 1 147 147 SER H H 147 8.220 8.220 8.720 -0.500 18788 14266 1 19 . 1 1 148 148 GLY N N 148 111.200 111.200 110.073 1.127 18788 14267 1 19 . 1 1 148 148 GLY C C 148 173.400 173.400 172.458 0.942 18788 14268 1 19 . 1 1 148 148 GLY CA C 148 45.500 45.500 45.549 -0.049 18788 14269 1 19 . 1 1 148 148 GLY H H 148 8.470 8.470 8.695 -0.225 18788 14270 1 20 . 1 1 2 2 THR N N 2 120.300 120.300 115.464 4.836 18788 14271 1 20 . 1 1 2 2 THR HA H 2 4.430 4.430 4.439 -0.009 18788 14272 1 20 . 1 1 2 2 THR C C 2 174.400 174.400 174.367 0.033 18788 14273 1 20 . 1 1 2 2 THR CA C 2 62.100 62.100 64.315 -2.215 18788 14274 1 20 . 1 1 2 2 THR CB C 2 69.900 69.900 68.973 0.927 18788 14275 1 20 . 1 1 2 2 THR H H 2 8.320 8.320 8.380 -0.060 18788 14276 1 20 . 1 1 3 3 SER N N 3 118.700 118.700 115.161 3.539 18788 14277 1 20 . 1 1 3 3 SER HA H 3 5.000 5.000 4.612 0.388 18788 14278 1 20 . 1 1 3 3 SER CA C 3 58.400 58.400 57.613 0.787 18788 14279 1 20 . 1 1 3 3 SER CB C 3 68.800 68.800 65.219 3.581 18788 14280 1 20 . 1 1 3 3 SER H H 3 8.520 8.520 7.677 0.843 18788 14281 1 20 . 1 1 4 4 THR HA H 4 4.380 4.380 4.398 -0.018 18788 14282 1 20 . 1 1 4 4 THR C C 4 174.400 174.400 175.213 -0.813 18788 14283 1 20 . 1 1 4 4 THR CA C 4 62.000 62.000 62.078 -0.078 18788 14284 1 20 . 1 1 4 4 THR CB C 4 69.700 69.700 70.088 -0.388 18788 14285 1 20 . 1 1 5 5 LYS N N 5 124.000 124.000 127.075 -3.075 18788 14286 1 20 . 1 1 5 5 LYS HA H 5 4.370 4.370 4.178 0.192 18788 14287 1 20 . 1 1 5 5 LYS C C 5 176.100 176.100 176.542 -0.442 18788 14288 1 20 . 1 1 5 5 LYS CA C 5 56.500 56.500 56.880 -0.381 18788 14289 1 20 . 1 1 5 5 LYS CB C 5 32.900 32.900 33.090 -0.190 18788 14290 1 20 . 1 1 5 5 LYS H H 5 8.320 8.320 8.756 -0.436 18788 14291 1 20 . 1 1 6 6 LYS N N 6 122.500 122.500 116.496 6.004 18788 14292 1 20 . 1 1 6 6 LYS HA H 6 4.400 4.400 3.967 0.433 18788 14293 1 20 . 1 1 6 6 LYS C C 6 176.200 176.200 174.980 1.220 18788 14294 1 20 . 1 1 6 6 LYS CA C 6 55.900 55.900 57.930 -2.030 18788 14295 1 20 . 1 1 6 6 LYS CB C 6 33.600 33.600 31.372 2.228 18788 14296 1 20 . 1 1 6 6 LYS H H 6 8.220 8.220 7.692 0.528 18788 14297 1 20 . 1 1 7 7 LEU N N 7 122.200 122.200 117.712 4.488 18788 14298 1 20 . 1 1 7 7 LEU HA H 7 4.550 4.550 5.728 -1.178 18788 14299 1 20 . 1 1 7 7 LEU C C 7 176.600 176.600 176.092 0.508 18788 14300 1 20 . 1 1 7 7 LEU CA C 7 54.800 54.800 53.869 0.931 18788 14301 1 20 . 1 1 7 7 LEU CB C 7 41.500 41.500 43.930 -2.430 18788 14302 1 20 . 1 1 7 7 LEU H H 7 8.340 8.340 8.146 0.194 18788 14303 1 20 . 1 1 8 8 HIS N N 8 119.200 119.200 117.601 1.599 18788 14304 1 20 . 1 1 8 8 HIS HA H 8 4.990 4.990 4.960 0.030 18788 14305 1 20 . 1 1 8 8 HIS C C 8 173.700 173.700 174.230 -0.530 18788 14306 1 20 . 1 1 8 8 HIS CA C 8 55.300 55.300 54.173 1.127 18788 14307 1 20 . 1 1 8 8 HIS CB C 8 32.200 32.200 32.514 -0.314 18788 14308 1 20 . 1 1 8 8 HIS H H 8 8.860 8.860 8.517 0.343 18788 14309 1 20 . 1 1 9 9 LYS N N 9 124.000 124.000 124.505 -0.505 18788 14310 1 20 . 1 1 9 9 LYS HA H 9 4.840 4.840 4.781 0.059 18788 14311 1 20 . 1 1 9 9 LYS C C 9 176.400 176.400 176.229 0.171 18788 14312 1 20 . 1 1 9 9 LYS CA C 9 55.700 55.700 55.821 -0.121 18788 14313 1 20 . 1 1 9 9 LYS CB C 9 34.700 34.700 33.281 1.419 18788 14314 1 20 . 1 1 9 9 LYS H H 9 8.480 8.480 8.673 -0.193 18788 14315 1 20 . 1 1 10 10 GLU N N 10 123.100 123.100 124.299 -1.199 18788 14316 1 20 . 1 1 10 10 GLU HA H 10 5.060 5.060 5.042 0.018 18788 14317 1 20 . 1 1 10 10 GLU C C 10 173.200 173.200 174.335 -1.135 18788 14318 1 20 . 1 1 10 10 GLU CA C 10 53.400 53.400 52.915 0.485 18788 14319 1 20 . 1 1 10 10 GLU CB C 10 33.000 33.000 32.190 0.810 18788 14320 1 20 . 1 1 10 10 GLU H H 10 9.390 9.390 9.087 0.303 18788 14321 1 20 . 1 1 11 11 PRO HA H 11 4.900 4.900 4.879 0.021 18788 14322 1 20 . 1 1 11 11 PRO C C 11 175.400 175.400 175.683 -0.283 18788 14323 1 20 . 1 1 11 11 PRO CA C 11 63.100 63.100 62.750 0.350 18788 14324 1 20 . 1 1 11 11 PRO CB C 11 33.000 33.000 32.503 0.497 18788 14325 1 20 . 1 1 12 12 ALA N N 12 119.700 119.700 123.284 -3.584 18788 14326 1 20 . 1 1 12 12 ALA HA H 12 4.990 4.990 5.158 -0.168 18788 14327 1 20 . 1 1 12 12 ALA C C 12 175.400 175.400 175.513 -0.113 18788 14328 1 20 . 1 1 12 12 ALA CA C 12 51.600 51.600 51.073 0.527 18788 14329 1 20 . 1 1 12 12 ALA CB C 12 24.600 24.600 23.239 1.361 18788 14330 1 20 . 1 1 12 12 ALA H H 12 8.070 8.070 8.814 -0.744 18788 14331 1 20 . 1 1 13 13 THR N N 13 109.100 109.100 114.159 -5.059 18788 14332 1 20 . 1 1 13 13 THR HA H 13 4.700 4.700 4.689 0.011 18788 14333 1 20 . 1 1 13 13 THR C C 13 174.000 174.000 173.227 0.773 18788 14334 1 20 . 1 1 13 13 THR CA C 13 60.700 60.700 61.712 -1.012 18788 14335 1 20 . 1 1 13 13 THR CB C 13 71.600 71.600 72.347 -0.747 18788 14336 1 20 . 1 1 13 13 THR H H 13 8.090 8.090 8.041 0.049 18788 14337 1 20 . 1 1 14 14 LEU N N 14 125.200 125.200 127.435 -2.235 18788 14338 1 20 . 1 1 14 14 LEU HA H 14 4.140 4.140 4.179 -0.039 18788 14339 1 20 . 1 1 14 14 LEU C C 14 176.700 176.700 175.792 0.908 18788 14340 1 20 . 1 1 14 14 LEU CA C 14 56.800 56.800 55.828 0.972 18788 14341 1 20 . 1 1 14 14 LEU CB C 14 42.900 42.900 42.999 -0.099 18788 14342 1 20 . 1 1 14 14 LEU H H 14 9.150 9.150 8.701 0.449 18788 14343 1 20 . 1 1 15 15 ILE N N 15 125.200 125.200 124.005 1.195 18788 14344 1 20 . 1 1 15 15 ILE HA H 15 4.220 4.220 4.309 -0.089 18788 14345 1 20 . 1 1 15 15 ILE C C 15 175.900 175.900 176.011 -0.111 18788 14346 1 20 . 1 1 15 15 ILE CA C 15 64.300 64.300 62.653 1.647 18788 14347 1 20 . 1 1 15 15 ILE CB C 15 38.700 38.700 39.773 -1.073 18788 14348 1 20 . 1 1 15 15 ILE H H 15 8.460 8.460 8.791 -0.331 18788 14349 1 20 . 1 1 16 16 LYS N N 16 114.100 114.100 117.053 -2.953 18788 14350 1 20 . 1 1 16 16 LYS HA H 16 4.460 4.460 4.561 -0.101 18788 14351 1 20 . 1 1 16 16 LYS C C 16 174.000 174.000 174.395 -0.395 18788 14352 1 20 . 1 1 16 16 LYS CA C 16 56.600 56.600 54.743 1.857 18788 14353 1 20 . 1 1 16 16 LYS CB C 16 35.300 35.300 37.100 -1.800 18788 14354 1 20 . 1 1 16 16 LYS H H 16 8.050 8.050 8.091 -0.041 18788 14355 1 20 . 1 1 17 17 ALA N N 17 129.100 129.100 124.723 4.377 18788 14356 1 20 . 1 1 17 17 ALA HA H 17 4.480 4.480 4.427 0.053 18788 14357 1 20 . 1 1 17 17 ALA C C 17 175.700 175.700 176.821 -1.121 18788 14358 1 20 . 1 1 17 17 ALA CA C 17 52.300 52.300 51.572 0.728 18788 14359 1 20 . 1 1 17 17 ALA CB C 17 18.200 18.200 19.852 -1.652 18788 14360 1 20 . 1 1 17 17 ALA H H 17 9.470 9.470 8.636 0.834 18788 14361 1 20 . 1 1 18 18 ILE N N 18 123.500 123.500 122.279 1.221 18788 14362 1 20 . 1 1 18 18 ILE HA H 18 4.110 4.110 4.261 -0.151 18788 14363 1 20 . 1 1 18 18 ILE C C 18 175.100 175.100 176.678 -1.578 18788 14364 1 20 . 1 1 18 18 ILE CA C 18 63.200 63.200 61.902 1.298 18788 14365 1 20 . 1 1 18 18 ILE CB C 18 37.800 37.800 38.410 -0.610 18788 14366 1 20 . 1 1 18 18 ILE H H 18 8.070 8.070 8.519 -0.449 18788 14367 1 20 . 1 1 19 19 ASP N N 19 120.500 120.500 116.083 4.417 18788 14368 1 20 . 1 1 19 19 ASP HA H 19 4.730 4.730 4.820 -0.090 18788 14369 1 20 . 1 1 19 19 ASP C C 19 176.800 176.800 177.777 -0.977 18788 14370 1 20 . 1 1 19 19 ASP CA C 19 53.400 53.400 53.517 -0.117 18788 14371 1 20 . 1 1 19 19 ASP CB C 19 40.100 40.100 41.276 -1.176 18788 14372 1 20 . 1 1 19 19 ASP H H 19 8.290 8.290 8.173 0.117 18788 14373 1 20 . 1 1 20 20 GLY N N 20 103.500 103.500 105.794 -2.294 18788 14374 1 20 . 1 1 20 20 GLY C C 20 173.300 173.300 175.251 -1.951 18788 14375 1 20 . 1 1 20 20 GLY CA C 20 47.700 47.700 47.194 0.506 18788 14376 1 20 . 1 1 20 20 GLY H H 20 8.460 8.460 8.382 0.078 18788 14377 1 20 . 1 1 21 21 ASP N N 21 111.200 111.200 120.296 -9.096 18788 14378 1 20 . 1 1 21 21 ASP HA H 21 4.850 4.850 4.778 0.072 18788 14379 1 20 . 1 1 21 21 ASP C C 21 175.300 175.300 175.509 -0.209 18788 14380 1 20 . 1 1 21 21 ASP CA C 21 52.100 52.100 54.237 -2.137 18788 14381 1 20 . 1 1 21 21 ASP CB C 21 40.600 40.600 42.206 -1.606 18788 14382 1 20 . 1 1 21 21 ASP H H 21 7.640 7.640 8.821 -1.181 18788 14383 1 20 . 1 1 22 22 THR N N 22 113.200 113.200 118.391 -5.191 18788 14384 1 20 . 1 1 22 22 THR HA H 22 5.700 5.700 5.172 0.528 18788 14385 1 20 . 1 1 22 22 THR C C 22 174.000 174.000 173.921 0.079 18788 14386 1 20 . 1 1 22 22 THR CA C 22 61.000 61.000 62.579 -1.579 18788 14387 1 20 . 1 1 22 22 THR CB C 22 71.800 71.800 69.399 2.401 18788 14388 1 20 . 1 1 22 22 THR H H 22 7.610 7.610 8.700 -1.091 18788 14389 1 20 . 1 1 23 23 VAL N N 23 118.000 118.000 119.898 -1.898 18788 14390 1 20 . 1 1 23 23 VAL HA H 23 4.620 4.620 4.772 -0.152 18788 14391 1 20 . 1 1 23 23 VAL C C 23 172.100 172.100 173.275 -1.175 18788 14392 1 20 . 1 1 23 23 VAL CA C 23 60.100 60.100 59.311 0.789 18788 14393 1 20 . 1 1 23 23 VAL CB C 23 36.200 36.200 35.242 0.958 18788 14394 1 20 . 1 1 23 23 VAL H H 23 8.910 8.910 9.355 -0.445 18788 14395 1 20 . 1 1 24 24 LYS N N 24 127.000 127.000 122.477 4.523 18788 14396 1 20 . 1 1 24 24 LYS HA H 24 5.440 5.440 5.283 0.157 18788 14397 1 20 . 1 1 24 24 LYS C C 24 175.200 175.200 175.016 0.184 18788 14398 1 20 . 1 1 24 24 LYS CA C 24 55.600 55.600 55.003 0.597 18788 14399 1 20 . 1 1 24 24 LYS CB C 24 34.400 34.400 34.971 -0.571 18788 14400 1 20 . 1 1 24 24 LYS H H 24 9.470 9.470 8.984 0.486 18788 14401 1 20 . 1 1 25 25 LEU N N 25 127.000 127.000 122.583 4.417 18788 14402 1 20 . 1 1 25 25 LEU HA H 25 5.210 5.210 4.979 0.231 18788 14403 1 20 . 1 1 25 25 LEU C C 25 174.500 174.500 174.649 -0.149 18788 14404 1 20 . 1 1 25 25 LEU CA C 25 53.100 53.100 53.035 0.065 18788 14405 1 20 . 1 1 25 25 LEU CB C 25 45.500 45.500 45.197 0.303 18788 14406 1 20 . 1 1 25 25 LEU H H 25 9.380 9.380 9.275 0.105 18788 14407 1 20 . 1 1 26 26 MET N N 26 122.000 122.000 119.861 2.139 18788 14408 1 20 . 1 1 26 26 MET HA H 26 4.880 4.880 5.018 -0.138 18788 14409 1 20 . 1 1 26 26 MET C C 26 175.100 175.100 174.457 0.643 18788 14410 1 20 . 1 1 26 26 MET CA C 26 54.700 54.700 55.295 -0.595 18788 14411 1 20 . 1 1 26 26 MET CB C 26 31.400 31.400 33.957 -2.557 18788 14412 1 20 . 1 1 26 26 MET H H 26 9.530 9.530 8.930 0.600 18788 14413 1 20 . 1 1 27 27 TYR N N 27 129.600 129.600 129.029 0.571 18788 14414 1 20 . 1 1 27 27 TYR HA H 27 5.050 5.050 4.943 0.107 18788 14415 1 20 . 1 1 27 27 TYR C C 27 173.900 173.900 174.914 -1.014 18788 14416 1 20 . 1 1 27 27 TYR CA C 27 57.000 57.000 56.789 0.211 18788 14417 1 20 . 1 1 27 27 TYR CB C 27 41.700 41.700 40.835 0.865 18788 14418 1 20 . 1 1 27 27 TYR H H 27 9.040 9.040 9.396 -0.356 18788 14419 1 20 . 1 1 28 28 LYS N N 28 127.600 127.600 127.575 0.025 18788 14420 1 20 . 1 1 28 28 LYS HA H 28 3.590 3.590 3.708 -0.118 18788 14421 1 20 . 1 1 28 28 LYS C C 28 176.900 176.900 176.157 0.743 18788 14422 1 20 . 1 1 28 28 LYS CA C 28 57.100 57.100 56.794 0.306 18788 14423 1 20 . 1 1 28 28 LYS CB C 28 29.700 29.700 30.447 -0.747 18788 14424 1 20 . 1 1 28 28 LYS H H 28 9.310 9.310 9.091 0.220 18788 14425 1 20 . 1 1 29 29 GLY N N 29 102.400 102.400 103.638 -1.238 18788 14426 1 20 . 1 1 29 29 GLY C C 29 173.600 173.600 173.681 -0.081 18788 14427 1 20 . 1 1 29 29 GLY CA C 29 45.600 45.600 45.171 0.429 18788 14428 1 20 . 1 1 29 29 GLY H H 29 8.450 8.450 8.315 0.135 18788 14429 1 20 . 1 1 30 30 GLN N N 30 119.300 119.300 119.927 -0.627 18788 14430 1 20 . 1 1 30 30 GLN HA H 30 5.030 5.030 4.905 0.125 18788 14431 1 20 . 1 1 30 30 GLN C C 30 173.200 173.200 173.508 -0.308 18788 14432 1 20 . 1 1 30 30 GLN CA C 30 52.200 52.200 52.102 0.098 18788 14433 1 20 . 1 1 30 30 GLN CB C 30 31.200 31.200 29.455 1.745 18788 14434 1 20 . 1 1 30 30 GLN H H 30 7.820 7.820 7.909 -0.089 18788 14435 1 20 . 1 1 31 31 PRO HA H 31 4.880 4.880 4.735 0.145 18788 14436 1 20 . 1 1 31 31 PRO C C 31 177.400 177.400 175.922 1.478 18788 14437 1 20 . 1 1 31 31 PRO CA C 31 62.600 62.600 63.231 -0.631 18788 14438 1 20 . 1 1 31 31 PRO CB C 31 31.900 31.900 31.649 0.251 18788 14439 1 20 . 1 1 32 32 MET N N 32 125.700 125.700 125.819 -0.119 18788 14440 1 20 . 1 1 32 32 MET HA H 32 4.670 4.670 4.970 -0.299 18788 14441 1 20 . 1 1 32 32 MET C C 32 174.600 174.600 174.432 0.168 18788 14442 1 20 . 1 1 32 32 MET CA C 32 55.800 55.800 54.713 1.087 18788 14443 1 20 . 1 1 32 32 MET CB C 32 37.200 37.200 37.522 -0.322 18788 14444 1 20 . 1 1 32 32 MET H H 32 9.570 9.570 9.371 0.199 18788 14445 1 20 . 1 1 33 33 THR N N 33 123.600 123.600 122.689 0.911 18788 14446 1 20 . 1 1 33 33 THR HA H 33 4.510 4.510 5.055 -0.545 18788 14447 1 20 . 1 1 33 33 THR C C 33 173.100 173.100 173.785 -0.685 18788 14448 1 20 . 1 1 33 33 THR CA C 33 64.300 64.300 62.585 1.715 18788 14449 1 20 . 1 1 33 33 THR CB C 33 68.800 68.800 69.393 -0.593 18788 14450 1 20 . 1 1 33 33 THR H H 33 8.990 8.990 8.603 0.387 18788 14451 1 20 . 1 1 34 34 PHE N N 34 126.100 126.100 127.110 -1.010 18788 14452 1 20 . 1 1 34 34 PHE HA H 34 4.890 4.890 5.192 -0.302 18788 14453 1 20 . 1 1 34 34 PHE C C 34 173.400 173.400 173.916 -0.516 18788 14454 1 20 . 1 1 34 34 PHE CA C 34 57.300 57.300 56.954 0.346 18788 14455 1 20 . 1 1 34 34 PHE CB C 34 41.900 41.900 42.421 -0.521 18788 14456 1 20 . 1 1 34 34 PHE H H 34 9.610 9.610 9.568 0.042 18788 14457 1 20 . 1 1 35 35 ARG N N 35 124.200 124.200 121.794 2.406 18788 14458 1 20 . 1 1 35 35 ARG HA H 35 5.080 5.080 5.379 -0.299 18788 14459 1 20 . 1 1 35 35 ARG C C 35 174.600 174.600 173.956 0.644 18788 14460 1 20 . 1 1 35 35 ARG CA C 35 52.100 52.100 54.408 -2.308 18788 14461 1 20 . 1 1 35 35 ARG CB C 35 33.600 33.600 35.279 -1.679 18788 14462 1 20 . 1 1 35 35 ARG H H 35 9.640 9.640 8.970 0.670 18788 14463 1 20 . 1 1 38 38 LEU HA H 38 4.330 4.330 4.401 -0.071 18788 14464 1 20 . 1 1 38 38 LEU C C 38 175.200 175.200 176.101 -0.901 18788 14465 1 20 . 1 1 38 38 LEU CA C 38 56.600 56.600 55.996 0.604 18788 14466 1 20 . 1 1 38 38 LEU CB C 38 40.100 40.100 42.528 -2.428 18788 14467 1 20 . 1 1 39 39 VAL N N 39 104.500 104.500 111.191 -6.691 18788 14468 1 20 . 1 1 39 39 VAL HA H 39 5.580 5.580 5.056 0.524 18788 14469 1 20 . 1 1 39 39 VAL C C 39 175.600 175.600 174.372 1.228 18788 14470 1 20 . 1 1 39 39 VAL CA C 39 57.800 57.800 58.663 -0.864 18788 14471 1 20 . 1 1 39 39 VAL CB C 39 36.400 36.400 36.163 0.237 18788 14472 1 20 . 1 1 39 39 VAL H H 39 6.920 6.920 7.241 -0.321 18788 14473 1 20 . 1 1 40 40 ASP N N 40 121.500 121.500 118.923 2.577 18788 14474 1 20 . 1 1 40 40 ASP HA H 40 5.260 5.260 5.104 0.156 18788 14475 1 20 . 1 1 40 40 ASP C C 40 174.600 174.600 174.560 0.040 18788 14476 1 20 . 1 1 40 40 ASP CA C 40 54.100 54.100 53.827 0.273 18788 14477 1 20 . 1 1 40 40 ASP CB C 40 44.100 44.100 44.471 -0.371 18788 14478 1 20 . 1 1 40 40 ASP H H 40 8.880 8.880 9.038 -0.158 18788 14479 1 20 . 1 1 41 41 THR N N 41 118.700 118.700 115.611 3.089 18788 14480 1 20 . 1 1 41 41 THR HA H 41 5.020 5.020 4.941 0.079 18788 14481 1 20 . 1 1 41 41 THR CA C 41 58.300 58.300 58.669 -0.369 18788 14482 1 20 . 1 1 41 41 THR CB C 41 68.900 68.900 70.040 -1.139 18788 14483 1 20 . 1 1 41 41 THR H H 41 8.520 8.520 8.361 0.159 18788 14484 1 20 . 1 1 42 42 PRO HA H 42 4.440 4.440 4.518 -0.078 18788 14485 1 20 . 1 1 42 42 PRO CA C 42 62.200 62.200 63.022 -0.822 18788 14486 1 20 . 1 1 42 42 PRO CB C 42 32.300 32.300 32.083 0.217 18788 14487 1 20 . 1 1 50 50 GLY C C 50 179.800 179.800 173.771 6.029 18788 14488 1 20 . 1 1 51 51 VAL N N 51 119.200 119.200 120.063 -0.863 18788 14489 1 20 . 1 1 51 51 VAL HA H 51 4.160 4.160 4.083 0.077 18788 14490 1 20 . 1 1 51 51 VAL C C 51 178.600 178.600 175.436 3.164 18788 14491 1 20 . 1 1 51 51 VAL CA C 51 63.500 63.500 63.431 0.069 18788 14492 1 20 . 1 1 51 51 VAL H H 51 7.820 7.820 8.363 -0.543 18788 14493 1 20 . 1 1 54 54 TYR C C 54 176.300 176.300 173.793 2.507 18788 14494 1 20 . 1 1 55 55 GLY N N 55 108.900 108.900 110.544 -1.644 18788 14495 1 20 . 1 1 55 55 GLY C C 55 174.300 174.300 173.230 1.070 18788 14496 1 20 . 1 1 55 55 GLY CA C 55 48.400 48.400 43.266 5.134 18788 14497 1 20 . 1 1 55 55 GLY H H 55 8.810 8.810 7.517 1.293 18788 14498 1 20 . 1 1 57 57 GLU HA H 57 4.010 4.010 3.877 0.133 18788 14499 1 20 . 1 1 57 57 GLU C C 57 179.500 179.500 177.698 1.802 18788 14500 1 20 . 1 1 57 57 GLU CA C 57 61.700 61.700 59.602 2.098 18788 14501 1 20 . 1 1 58 58 ALA N N 58 125.000 125.000 122.122 2.878 18788 14502 1 20 . 1 1 58 58 ALA HA H 58 4.170 4.170 4.134 0.036 18788 14503 1 20 . 1 1 58 58 ALA C C 58 178.700 178.700 179.842 -1.142 18788 14504 1 20 . 1 1 58 58 ALA CA C 58 55.800 55.800 55.090 0.709 18788 14505 1 20 . 1 1 58 58 ALA CB C 58 18.200 18.200 17.922 0.278 18788 14506 1 20 . 1 1 58 58 ALA H H 58 8.940 8.940 8.322 0.618 18788 14507 1 20 . 1 1 59 59 SER N N 59 111.900 111.900 114.790 -2.890 18788 14508 1 20 . 1 1 59 59 SER HA H 59 3.740 3.740 4.377 -0.637 18788 14509 1 20 . 1 1 59 59 SER C C 59 177.100 177.100 176.470 0.630 18788 14510 1 20 . 1 1 59 59 SER CA C 59 62.000 62.000 61.175 0.825 18788 14511 1 20 . 1 1 59 59 SER CB C 59 62.900 62.900 62.840 0.060 18788 14512 1 20 . 1 1 59 59 SER H H 59 8.340 8.340 8.217 0.123 18788 14513 1 20 . 1 1 60 60 ALA N N 60 122.900 122.900 123.831 -0.931 18788 14514 1 20 . 1 1 60 60 ALA HA H 60 4.070 4.070 4.049 0.021 18788 14515 1 20 . 1 1 60 60 ALA C C 60 179.100 179.100 179.035 0.065 18788 14516 1 20 . 1 1 60 60 ALA CA C 60 55.100 55.100 54.964 0.136 18788 14517 1 20 . 1 1 60 60 ALA CB C 60 18.200 18.200 18.274 -0.074 18788 14518 1 20 . 1 1 60 60 ALA H H 60 8.440 8.440 7.611 0.829 18788 14519 1 20 . 1 1 61 61 PHE N N 61 121.700 121.700 119.712 1.988 18788 14520 1 20 . 1 1 61 61 PHE HA H 61 4.050 4.050 4.195 -0.145 18788 14521 1 20 . 1 1 61 61 PHE C C 61 178.100 178.100 177.229 0.871 18788 14522 1 20 . 1 1 61 61 PHE CA C 61 61.800 61.800 60.460 1.340 18788 14523 1 20 . 1 1 61 61 PHE CB C 61 39.800 39.800 38.954 0.846 18788 14524 1 20 . 1 1 61 61 PHE H H 61 8.190 8.190 8.806 -0.616 18788 14525 1 20 . 1 1 62 62 THR N N 62 120.200 120.200 116.379 3.821 18788 14526 1 20 . 1 1 62 62 THR HA H 62 3.560 3.560 3.587 -0.027 18788 14527 1 20 . 1 1 62 62 THR C C 62 175.300 175.300 176.242 -0.942 18788 14528 1 20 . 1 1 62 62 THR CA C 62 67.600 67.600 67.575 0.025 18788 14529 1 20 . 1 1 62 62 THR CB C 62 68.400 68.400 68.411 -0.011 18788 14530 1 20 . 1 1 62 62 THR H H 62 8.540 8.540 8.620 -0.080 18788 14531 1 20 . 1 1 63 63 LYS N N 63 120.000 120.000 121.247 -1.247 18788 14532 1 20 . 1 1 63 63 LYS HA H 63 3.560 3.560 3.883 -0.323 18788 14533 1 20 . 1 1 63 63 LYS C C 63 176.800 176.800 178.253 -1.453 18788 14534 1 20 . 1 1 63 63 LYS CA C 63 60.400 60.400 59.625 0.775 18788 14535 1 20 . 1 1 63 63 LYS CB C 63 33.300 33.300 32.504 0.796 18788 14536 1 20 . 1 1 63 63 LYS H H 63 7.910 7.910 7.988 -0.078 18788 14537 1 20 . 1 1 64 64 LYS N N 64 117.200 117.200 119.797 -2.597 18788 14538 1 20 . 1 1 64 64 LYS HA H 64 3.940 3.940 4.119 -0.179 18788 14539 1 20 . 1 1 64 64 LYS C C 64 178.700 178.700 179.355 -0.655 18788 14540 1 20 . 1 1 64 64 LYS CA C 64 59.200 59.200 59.428 -0.228 18788 14541 1 20 . 1 1 64 64 LYS CB C 64 31.900 31.900 32.505 -0.605 18788 14542 1 20 . 1 1 64 64 LYS H H 64 8.000 8.000 8.150 -0.150 18788 14543 1 20 . 1 1 65 65 MET N N 65 116.200 116.200 116.120 0.080 18788 14544 1 20 . 1 1 65 65 MET HA H 65 3.890 3.890 4.197 -0.307 18788 14545 1 20 . 1 1 65 65 MET C C 65 179.200 179.200 178.439 0.761 18788 14546 1 20 . 1 1 65 65 MET CA C 65 59.800 59.800 58.598 1.202 18788 14547 1 20 . 1 1 65 65 MET CB C 65 32.200 32.200 32.662 -0.462 18788 14548 1 20 . 1 1 65 65 MET H H 65 7.680 7.680 7.897 -0.217 18788 14549 1 20 . 1 1 66 66 VAL N N 66 107.700 107.700 114.370 -6.670 18788 14550 1 20 . 1 1 66 66 VAL HA H 66 4.150 4.150 3.786 0.364 18788 14551 1 20 . 1 1 66 66 VAL C C 66 177.500 177.500 177.448 0.052 18788 14552 1 20 . 1 1 66 66 VAL CA C 66 64.300 64.300 64.702 -0.402 18788 14553 1 20 . 1 1 66 66 VAL CB C 66 31.100 31.100 31.741 -0.641 18788 14554 1 20 . 1 1 66 66 VAL H H 66 8.220 8.220 7.757 0.463 18788 14555 1 20 . 1 1 67 67 GLU N N 67 121.000 121.000 118.774 2.226 18788 14556 1 20 . 1 1 67 67 GLU HA H 67 3.960 3.960 4.137 -0.177 18788 14557 1 20 . 1 1 67 67 GLU C C 67 178.000 178.000 177.736 0.264 18788 14558 1 20 . 1 1 67 67 GLU CA C 67 59.200 59.200 58.666 0.534 18788 14559 1 20 . 1 1 67 67 GLU CB C 67 29.100 29.100 29.813 -0.713 18788 14560 1 20 . 1 1 67 67 GLU H H 67 8.750 8.750 8.377 0.373 18788 14561 1 20 . 1 1 68 68 ASN N N 68 113.400 113.400 115.764 -2.364 18788 14562 1 20 . 1 1 68 68 ASN HA H 68 4.660 4.660 4.743 -0.083 18788 14563 1 20 . 1 1 68 68 ASN C C 68 174.600 174.600 174.033 0.567 18788 14564 1 20 . 1 1 68 68 ASN CA C 68 53.400 53.400 53.821 -0.421 18788 14565 1 20 . 1 1 68 68 ASN CB C 68 38.900 38.900 39.343 -0.443 18788 14566 1 20 . 1 1 68 68 ASN H H 68 7.400 7.400 7.787 -0.387 18788 14567 1 20 . 1 1 69 69 ALA N N 69 121.100 121.100 121.699 -0.599 18788 14568 1 20 . 1 1 69 69 ALA HA H 69 4.490 4.490 4.297 0.193 18788 14569 1 20 . 1 1 69 69 ALA C C 69 177.800 177.800 177.506 0.294 18788 14570 1 20 . 1 1 69 69 ALA CA C 69 51.400 51.400 52.424 -1.024 18788 14571 1 20 . 1 1 69 69 ALA CB C 69 19.200 19.200 19.226 -0.025 18788 14572 1 20 . 1 1 69 69 ALA H H 69 6.680 6.680 7.035 -0.355 18788 14573 1 20 . 1 1 70 70 LYS N N 70 125.700 125.700 122.410 3.290 18788 14574 1 20 . 1 1 70 70 LYS HA H 70 4.370 4.370 4.253 0.117 18788 14575 1 20 . 1 1 70 70 LYS C C 70 177.800 177.800 177.483 0.317 18788 14576 1 20 . 1 1 70 70 LYS CA C 70 57.800 57.800 57.281 0.519 18788 14577 1 20 . 1 1 70 70 LYS CB C 70 32.000 32.000 33.091 -1.091 18788 14578 1 20 . 1 1 70 70 LYS H H 70 10.130 10.130 8.521 1.609 18788 14579 1 20 . 1 1 71 71 LYS N N 71 121.300 121.300 118.863 2.437 18788 14580 1 20 . 1 1 71 71 LYS HA H 71 4.660 4.660 4.581 0.079 18788 14581 1 20 . 1 1 71 71 LYS C C 71 174.600 174.600 174.829 -0.229 18788 14582 1 20 . 1 1 71 71 LYS CA C 71 55.500 55.500 55.640 -0.140 18788 14583 1 20 . 1 1 71 71 LYS CB C 71 35.400 35.400 33.311 2.089 18788 14584 1 20 . 1 1 71 71 LYS H H 71 8.920 8.920 7.366 1.554 18788 14585 1 20 . 1 1 72 72 ILE N N 72 128.900 128.900 127.140 1.760 18788 14586 1 20 . 1 1 72 72 ILE HA H 72 5.240 5.240 4.993 0.247 18788 14587 1 20 . 1 1 72 72 ILE C C 72 175.300 175.300 175.053 0.247 18788 14588 1 20 . 1 1 72 72 ILE CA C 72 58.700 58.700 60.493 -1.793 18788 14589 1 20 . 1 1 72 72 ILE CB C 72 38.100 38.100 39.108 -1.008 18788 14590 1 20 . 1 1 72 72 ILE H H 72 8.960 8.960 8.850 0.110 18788 14591 1 20 . 1 1 73 73 GLU N N 73 123.100 123.100 126.972 -3.872 18788 14592 1 20 . 1 1 73 73 GLU HA H 73 5.240 5.240 5.312 -0.072 18788 14593 1 20 . 1 1 73 73 GLU C C 73 174.900 174.900 175.178 -0.278 18788 14594 1 20 . 1 1 73 73 GLU CA C 73 53.600 53.600 54.465 -0.865 18788 14595 1 20 . 1 1 73 73 GLU CB C 73 36.200 36.200 34.157 2.043 18788 14596 1 20 . 1 1 73 73 GLU H H 73 8.810 8.810 9.034 -0.224 18788 14597 1 20 . 1 1 74 74 VAL N N 74 117.300 117.300 118.939 -1.639 18788 14598 1 20 . 1 1 74 74 VAL HA H 74 4.550 4.550 4.894 -0.344 18788 14599 1 20 . 1 1 74 74 VAL C C 74 174.000 174.000 174.304 -0.304 18788 14600 1 20 . 1 1 74 74 VAL CA C 74 59.500 59.500 59.343 0.157 18788 14601 1 20 . 1 1 74 74 VAL CB C 74 34.200 34.200 32.969 1.230 18788 14602 1 20 . 1 1 74 74 VAL H H 74 9.510 9.510 9.063 0.447 18788 14603 1 20 . 1 1 75 75 GLU N N 75 126.900 126.900 127.761 -0.861 18788 14604 1 20 . 1 1 75 75 GLU HA H 75 5.160 5.160 5.188 -0.028 18788 14605 1 20 . 1 1 75 75 GLU C C 75 175.600 175.600 175.636 -0.036 18788 14606 1 20 . 1 1 75 75 GLU CA C 75 54.500 54.500 53.749 0.751 18788 14607 1 20 . 1 1 75 75 GLU CB C 75 35.900 35.900 32.441 3.459 18788 14608 1 20 . 1 1 75 75 GLU H H 75 8.860 8.860 9.146 -0.286 18788 14609 1 20 . 1 1 76 76 PHE N N 76 126.400 126.400 127.664 -1.264 18788 14610 1 20 . 1 1 76 76 PHE HA H 76 4.740 4.740 5.063 -0.323 18788 14611 1 20 . 1 1 76 76 PHE C C 76 175.600 175.600 175.962 -0.362 18788 14612 1 20 . 1 1 76 76 PHE CA C 76 59.500 59.500 58.926 0.574 18788 14613 1 20 . 1 1 76 76 PHE CB C 76 39.700 39.700 39.652 0.048 18788 14614 1 20 . 1 1 76 76 PHE H H 76 8.770 8.770 8.198 0.572 18788 14615 1 20 . 1 1 77 77 ASP N N 77 123.000 123.000 123.977 -0.977 18788 14616 1 20 . 1 1 77 77 ASP HA H 77 5.310 5.310 4.930 0.380 18788 14617 1 20 . 1 1 77 77 ASP C C 77 177.600 177.600 176.789 0.811 18788 14618 1 20 . 1 1 77 77 ASP CA C 77 51.800 51.800 54.402 -2.602 18788 14619 1 20 . 1 1 77 77 ASP CB C 77 42.900 42.900 43.536 -0.636 18788 14620 1 20 . 1 1 77 77 ASP H H 77 9.310 9.310 8.318 0.993 18788 14621 1 20 . 1 1 78 78 LYS N N 78 119.100 119.100 118.221 0.879 18788 14622 1 20 . 1 1 78 78 LYS HA H 78 4.240 4.240 4.675 -0.435 18788 14623 1 20 . 1 1 78 78 LYS C C 78 177.100 177.100 176.455 0.645 18788 14624 1 20 . 1 1 78 78 LYS CA C 78 57.700 57.700 57.311 0.389 18788 14625 1 20 . 1 1 78 78 LYS CB C 78 33.400 33.400 32.711 0.690 18788 14626 1 20 . 1 1 78 78 LYS H H 78 10.360 10.360 8.646 1.714 18788 14627 1 20 . 1 1 79 79 GLY N N 79 111.100 111.100 108.341 2.759 18788 14628 1 20 . 1 1 79 79 GLY C C 79 173.600 173.600 173.394 0.206 18788 14629 1 20 . 1 1 79 79 GLY CA C 79 44.500 44.500 44.090 0.410 18788 14630 1 20 . 1 1 79 79 GLY H H 79 8.680 8.680 7.758 0.922 18788 14631 1 20 . 1 1 80 80 GLN N N 80 124.800 124.800 120.678 4.122 18788 14632 1 20 . 1 1 80 80 GLN HA H 80 4.140 4.140 4.473 -0.333 18788 14633 1 20 . 1 1 80 80 GLN C C 80 176.900 176.900 175.853 1.047 18788 14634 1 20 . 1 1 80 80 GLN CA C 80 57.200 57.200 56.392 0.808 18788 14635 1 20 . 1 1 80 80 GLN CB C 80 29.200 29.200 30.696 -1.496 18788 14636 1 20 . 1 1 80 80 GLN H H 80 8.800 8.800 9.027 -0.227 18788 14637 1 20 . 1 1 81 81 ARG N N 81 120.700 120.700 120.300 0.400 18788 14638 1 20 . 1 1 81 81 ARG HA H 81 4.620 4.620 4.386 0.234 18788 14639 1 20 . 1 1 81 81 ARG C C 81 176.200 176.200 175.327 0.873 18788 14640 1 20 . 1 1 81 81 ARG CA C 81 57.500 57.500 57.396 0.104 18788 14641 1 20 . 1 1 81 81 ARG CB C 81 32.000 32.000 31.319 0.681 18788 14642 1 20 . 1 1 81 81 ARG H H 81 8.640 8.640 8.523 0.117 18788 14643 1 20 . 1 1 82 82 THR N N 82 107.900 107.900 109.166 -1.266 18788 14644 1 20 . 1 1 82 82 THR HA H 82 5.540 5.540 4.974 0.566 18788 14645 1 20 . 1 1 82 82 THR C C 82 174.600 174.600 173.496 1.104 18788 14646 1 20 . 1 1 82 82 THR CA C 82 58.400 58.400 59.617 -1.217 18788 14647 1 20 . 1 1 82 82 THR CB C 82 72.500 72.500 72.097 0.403 18788 14648 1 20 . 1 1 82 82 THR H H 82 7.300 7.300 7.387 -0.087 18788 14649 1 20 . 1 1 83 83 ASP N N 83 121.300 121.300 122.091 -0.791 18788 14650 1 20 . 1 1 83 83 ASP HA H 83 4.660 4.660 4.512 0.148 18788 14651 1 20 . 1 1 83 83 ASP C C 83 179.000 179.000 178.196 0.804 18788 14652 1 20 . 1 1 83 83 ASP CA C 83 51.700 51.700 53.726 -2.026 18788 14653 1 20 . 1 1 83 83 ASP CB C 83 42.100 42.100 42.690 -0.590 18788 14654 1 20 . 1 1 83 83 ASP H H 83 8.590 8.590 8.890 -0.300 18788 14655 1 20 . 1 1 85 85 TYR N N 85 119.300 119.300 117.101 2.199 18788 14656 1 20 . 1 1 85 85 TYR HA H 85 4.600 4.600 4.541 0.059 18788 14657 1 20 . 1 1 85 85 TYR C C 85 176.100 176.100 175.516 0.584 18788 14658 1 20 . 1 1 85 85 TYR CA C 85 57.100 57.100 57.578 -0.478 18788 14659 1 20 . 1 1 85 85 TYR CB C 85 37.900 37.900 38.282 -0.382 18788 14660 1 20 . 1 1 85 85 TYR H H 85 7.650 7.650 8.496 -0.846 18788 14661 1 20 . 1 1 86 86 GLY N N 86 108.500 108.500 107.923 0.577 18788 14662 1 20 . 1 1 86 86 GLY C C 86 174.400 174.400 173.738 0.662 18788 14663 1 20 . 1 1 86 86 GLY CA C 86 45.400 45.400 44.995 0.405 18788 14664 1 20 . 1 1 86 86 GLY H H 86 8.120 8.120 7.861 0.259 18788 14665 1 20 . 1 1 87 87 ARG N N 87 121.600 121.600 119.637 1.963 18788 14666 1 20 . 1 1 87 87 ARG HA H 87 4.430 4.430 4.672 -0.242 18788 14667 1 20 . 1 1 87 87 ARG C C 87 177.000 177.000 176.517 0.483 18788 14668 1 20 . 1 1 87 87 ARG CA C 87 55.300 55.300 54.634 0.666 18788 14669 1 20 . 1 1 87 87 ARG CB C 87 30.000 30.000 31.083 -1.083 18788 14670 1 20 . 1 1 87 87 ARG H H 87 8.600 8.600 7.347 1.253 18788 14671 1 20 . 1 1 88 88 GLY N N 88 108.000 108.000 108.690 -0.690 18788 14672 1 20 . 1 1 88 88 GLY C C 88 171.800 171.800 173.114 -1.314 18788 14673 1 20 . 1 1 88 88 GLY CA C 88 44.800 44.800 44.210 0.590 18788 14674 1 20 . 1 1 88 88 GLY H H 88 8.780 8.780 8.446 0.334 18788 14675 1 20 . 1 1 89 89 LEU N N 89 125.100 125.100 127.959 -2.859 18788 14676 1 20 . 1 1 89 89 LEU HA H 89 5.190 5.190 5.030 0.160 18788 14677 1 20 . 1 1 89 89 LEU C C 89 174.800 174.800 175.727 -0.927 18788 14678 1 20 . 1 1 89 89 LEU CA C 89 52.800 52.800 54.167 -1.367 18788 14679 1 20 . 1 1 89 89 LEU CB C 89 42.900 42.900 41.084 1.816 18788 14680 1 20 . 1 1 89 89 LEU H H 89 8.220 8.220 8.565 -0.345 18788 14681 1 20 . 1 1 90 90 ALA N N 90 119.900 119.900 125.022 -5.122 18788 14682 1 20 . 1 1 90 90 ALA HA H 90 4.790 4.790 4.726 0.064 18788 14683 1 20 . 1 1 90 90 ALA C C 90 177.000 177.000 175.813 1.187 18788 14684 1 20 . 1 1 90 90 ALA CA C 90 50.800 50.800 50.368 0.432 18788 14685 1 20 . 1 1 90 90 ALA CB C 90 23.700 23.700 22.246 1.454 18788 14686 1 20 . 1 1 90 90 ALA H H 90 7.400 7.400 7.558 -0.158 18788 14687 1 20 . 1 1 91 91 TYR N N 91 122.400 122.400 119.758 2.642 18788 14688 1 20 . 1 1 91 91 TYR HA H 91 4.650 4.650 4.467 0.183 18788 14689 1 20 . 1 1 91 91 TYR C C 91 174.600 174.600 175.360 -0.760 18788 14690 1 20 . 1 1 91 91 TYR CA C 91 57.200 57.200 58.063 -0.863 18788 14691 1 20 . 1 1 91 91 TYR CB C 91 37.600 37.600 39.557 -1.957 18788 14692 1 20 . 1 1 91 91 TYR H H 91 9.000 9.000 8.766 0.234 18788 14693 1 20 . 1 1 92 92 ILE N N 92 122.200 122.200 123.780 -1.580 18788 14694 1 20 . 1 1 92 92 ILE HA H 92 4.950 4.950 4.564 0.386 18788 14695 1 20 . 1 1 92 92 ILE C C 92 173.700 173.700 174.980 -1.280 18788 14696 1 20 . 1 1 92 92 ILE CA C 92 58.700 58.700 60.319 -1.619 18788 14697 1 20 . 1 1 92 92 ILE CB C 92 38.900 38.900 39.217 -0.317 18788 14698 1 20 . 1 1 92 92 ILE H H 92 7.830 7.830 9.203 -1.373 18788 14699 1 20 . 1 1 93 93 TYR N N 93 126.200 126.200 127.577 -1.377 18788 14700 1 20 . 1 1 93 93 TYR HA H 93 5.080 5.080 4.824 0.256 18788 14701 1 20 . 1 1 93 93 TYR C C 93 173.900 173.900 174.441 -0.541 18788 14702 1 20 . 1 1 93 93 TYR CA C 93 56.500 56.500 56.196 0.304 18788 14703 1 20 . 1 1 93 93 TYR CB C 93 41.500 41.500 39.689 1.811 18788 14704 1 20 . 1 1 93 93 TYR H H 93 9.540 9.540 9.369 0.171 18788 14705 1 20 . 1 1 94 94 ALA N N 94 125.700 125.700 126.794 -1.094 18788 14706 1 20 . 1 1 94 94 ALA HA H 94 4.960 4.960 4.504 0.456 18788 14707 1 20 . 1 1 94 94 ALA C C 94 175.700 175.700 176.970 -1.270 18788 14708 1 20 . 1 1 94 94 ALA CA C 94 49.700 49.700 50.584 -0.884 18788 14709 1 20 . 1 1 94 94 ALA CB C 94 20.900 20.900 19.189 1.712 18788 14710 1 20 . 1 1 94 94 ALA H H 94 9.230 9.230 9.086 0.144 18788 14711 1 20 . 1 1 95 95 ASP N N 95 127.600 127.600 124.631 2.969 18788 14712 1 20 . 1 1 95 95 ASP HA H 95 4.430 4.430 4.251 0.179 18788 14713 1 20 . 1 1 95 95 ASP C C 95 176.100 176.100 176.502 -0.402 18788 14714 1 20 . 1 1 95 95 ASP CA C 95 56.500 56.500 55.181 1.319 18788 14715 1 20 . 1 1 95 95 ASP CB C 95 39.500 39.500 40.138 -0.638 18788 14716 1 20 . 1 1 95 95 ASP H H 95 9.720 9.720 9.093 0.627 18788 14717 1 20 . 1 1 96 96 GLY N N 96 103.000 103.000 103.304 -0.304 18788 14718 1 20 . 1 1 96 96 GLY C C 96 173.800 173.800 174.227 -0.427 18788 14719 1 20 . 1 1 96 96 GLY CA C 96 45.400 45.400 45.155 0.245 18788 14720 1 20 . 1 1 96 96 GLY H H 96 9.420 9.420 8.317 1.103 18788 14721 1 20 . 1 1 97 97 LYS N N 97 121.400 121.400 123.921 -2.521 18788 14722 1 20 . 1 1 97 97 LYS HA H 97 4.670 4.670 4.574 0.096 18788 14723 1 20 . 1 1 97 97 LYS C C 97 176.000 176.000 176.233 -0.233 18788 14724 1 20 . 1 1 97 97 LYS CA C 97 54.200 54.200 54.808 -0.608 18788 14725 1 20 . 1 1 97 97 LYS CB C 97 33.100 33.100 32.835 0.265 18788 14726 1 20 . 1 1 97 97 LYS H H 97 7.870 7.870 7.967 -0.097 18788 14727 1 20 . 1 1 98 98 MET N N 98 127.000 127.000 125.625 1.375 18788 14728 1 20 . 1 1 98 98 MET HA H 98 3.780 3.780 4.093 -0.313 18788 14729 1 20 . 1 1 98 98 MET C C 98 177.700 177.700 176.587 1.113 18788 14730 1 20 . 1 1 98 98 MET CA C 98 56.100 56.100 54.933 1.167 18788 14731 1 20 . 1 1 98 98 MET CB C 98 34.700 34.700 30.353 4.347 18788 14732 1 20 . 1 1 98 98 MET H H 98 9.280 9.280 9.055 0.225 18788 14733 1 20 . 1 1 99 99 VAL N N 99 103.700 103.700 125.702 -22.002 18788 14734 1 20 . 1 1 99 99 VAL HA H 99 3.730 3.730 3.558 0.172 18788 14735 1 20 . 1 1 99 99 VAL C C 99 177.200 177.200 177.593 -0.393 18788 14736 1 20 . 1 1 99 99 VAL CA C 99 66.100 66.100 66.002 0.098 18788 14737 1 20 . 1 1 99 99 VAL CB C 99 32.400 32.400 30.610 1.790 18788 14738 1 20 . 1 1 99 99 VAL H H 99 10.190 10.190 8.824 1.366 18788 14739 1 20 . 1 1 100 100 ASN N N 100 108.600 108.600 117.048 -8.448 18788 14740 1 20 . 1 1 100 100 ASN HA H 100 4.080 4.080 4.296 -0.216 18788 14741 1 20 . 1 1 100 100 ASN C C 100 174.200 174.200 177.080 -2.880 18788 14742 1 20 . 1 1 100 100 ASN CA C 100 57.200 57.200 56.991 0.209 18788 14743 1 20 . 1 1 100 100 ASN CB C 100 34.700 34.700 37.920 -3.220 18788 14744 1 20 . 1 1 100 100 ASN H H 100 9.670 9.670 8.087 1.583 18788 14745 1 20 . 1 1 101 101 GLU N N 101 112.800 112.800 120.912 -8.112 18788 14746 1 20 . 1 1 101 101 GLU HA H 101 3.660 3.660 3.978 -0.318 18788 14747 1 20 . 1 1 101 101 GLU C C 101 176.100 176.100 178.069 -1.969 18788 14748 1 20 . 1 1 101 101 GLU CA C 101 59.800 59.800 59.202 0.598 18788 14749 1 20 . 1 1 101 101 GLU CB C 101 30.200 30.200 29.588 0.612 18788 14750 1 20 . 1 1 101 101 GLU H H 101 6.150 6.150 7.465 -1.315 18788 14751 1 20 . 1 1 102 102 ALA N N 102 122.600 122.600 123.170 -0.570 18788 14752 1 20 . 1 1 102 102 ALA HA H 102 4.070 4.070 4.081 -0.011 18788 14753 1 20 . 1 1 102 102 ALA C C 102 179.800 179.800 180.078 -0.278 18788 14754 1 20 . 1 1 102 102 ALA CA C 102 55.300 55.300 55.305 -0.005 18788 14755 1 20 . 1 1 102 102 ALA CB C 102 17.900 17.900 18.133 -0.233 18788 14756 1 20 . 1 1 102 102 ALA H H 102 7.810 7.810 7.682 0.128 18788 14757 1 20 . 1 1 103 103 LEU N N 103 116.100 116.100 118.441 -2.341 18788 14758 1 20 . 1 1 103 103 LEU HA H 103 3.280 3.280 4.112 -0.832 18788 14759 1 20 . 1 1 103 103 LEU C C 103 178.900 178.900 179.186 -0.286 18788 14760 1 20 . 1 1 103 103 LEU CA C 103 57.800 57.800 58.152 -0.352 18788 14761 1 20 . 1 1 103 103 LEU CB C 103 45.500 45.500 41.565 3.935 18788 14762 1 20 . 1 1 103 103 LEU H H 103 8.070 8.070 8.639 -0.569 18788 14763 1 20 . 1 1 104 104 VAL N N 104 116.600 116.600 118.845 -2.245 18788 14764 1 20 . 1 1 104 104 VAL HA H 104 3.870 3.870 4.010 -0.140 18788 14765 1 20 . 1 1 104 104 VAL C C 104 180.300 180.300 178.612 1.688 18788 14766 1 20 . 1 1 104 104 VAL CA C 104 65.000 65.000 66.312 -1.312 18788 14767 1 20 . 1 1 104 104 VAL CB C 104 32.000 32.000 31.597 0.403 18788 14768 1 20 . 1 1 104 104 VAL H H 104 6.890 6.890 7.554 -0.664 18788 14769 1 20 . 1 1 105 105 ARG N N 105 122.400 122.400 119.598 2.802 18788 14770 1 20 . 1 1 105 105 ARG HA H 105 4.130 4.130 4.239 -0.109 18788 14771 1 20 . 1 1 105 105 ARG C C 105 176.000 176.000 178.228 -2.228 18788 14772 1 20 . 1 1 105 105 ARG CA C 105 57.000 57.000 58.840 -1.841 18788 14773 1 20 . 1 1 105 105 ARG CB C 105 28.300 28.300 30.448 -2.148 18788 14774 1 20 . 1 1 105 105 ARG H H 105 9.140 9.140 8.441 0.699 18788 14775 1 20 . 1 1 106 106 GLN N N 106 112.000 112.000 116.061 -4.061 18788 14776 1 20 . 1 1 106 106 GLN HA H 106 4.320 4.320 4.294 0.026 18788 14777 1 20 . 1 1 106 106 GLN C C 106 175.600 175.600 175.722 -0.122 18788 14778 1 20 . 1 1 106 106 GLN CA C 106 53.800 53.800 55.175 -1.375 18788 14779 1 20 . 1 1 106 106 GLN CB C 106 28.300 28.300 29.273 -0.973 18788 14780 1 20 . 1 1 106 106 GLN H H 106 7.120 7.120 8.329 -1.209 18788 14781 1 20 . 1 1 107 107 GLY N N 107 107.100 107.100 106.497 0.603 18788 14782 1 20 . 1 1 107 107 GLY C C 107 172.400 172.400 174.339 -1.939 18788 14783 1 20 . 1 1 107 107 GLY CA C 107 46.300 46.300 46.021 0.279 18788 14784 1 20 . 1 1 107 107 GLY H H 107 8.080 8.080 7.654 0.426 18788 14785 1 20 . 1 1 108 108 LEU N N 108 115.100 115.100 118.615 -3.515 18788 14786 1 20 . 1 1 108 108 LEU HA H 108 4.300 4.300 4.610 -0.310 18788 14787 1 20 . 1 1 108 108 LEU C C 108 172.500 172.500 174.968 -2.468 18788 14788 1 20 . 1 1 108 108 LEU CA C 108 53.300 53.300 54.209 -0.909 18788 14789 1 20 . 1 1 108 108 LEU CB C 108 43.500 43.500 42.685 0.815 18788 14790 1 20 . 1 1 108 108 LEU H H 108 7.810 7.810 8.731 -0.921 18788 14791 1 20 . 1 1 109 109 ALA N N 109 112.900 112.900 119.345 -6.445 18788 14792 1 20 . 1 1 109 109 ALA HA H 109 4.500 4.500 4.828 -0.328 18788 14793 1 20 . 1 1 109 109 ALA C C 109 174.800 174.800 175.875 -1.075 18788 14794 1 20 . 1 1 109 109 ALA CA C 109 49.900 49.900 50.781 -0.881 18788 14795 1 20 . 1 1 109 109 ALA CB C 109 24.900 24.900 22.233 2.667 18788 14796 1 20 . 1 1 109 109 ALA H H 109 6.950 6.950 7.443 -0.493 18788 14797 1 20 . 1 1 110 110 LYS N N 110 117.700 117.700 120.090 -2.390 18788 14798 1 20 . 1 1 110 110 LYS HA H 110 5.120 5.120 4.988 0.132 18788 14799 1 20 . 1 1 110 110 LYS C C 110 175.800 175.800 175.672 0.128 18788 14800 1 20 . 1 1 110 110 LYS CA C 110 53.800 53.800 54.809 -1.009 18788 14801 1 20 . 1 1 110 110 LYS CB C 110 35.300 35.300 37.113 -1.813 18788 14802 1 20 . 1 1 110 110 LYS H H 110 7.890 7.890 8.972 -1.082 18788 14803 1 20 . 1 1 111 111 VAL N N 111 123.100 123.100 122.460 0.640 18788 14804 1 20 . 1 1 111 111 VAL HA H 111 4.630 4.630 4.115 0.515 18788 14805 1 20 . 1 1 111 111 VAL C C 111 176.500 176.500 175.232 1.268 18788 14806 1 20 . 1 1 111 111 VAL CA C 111 63.100 63.100 63.286 -0.186 18788 14807 1 20 . 1 1 111 111 VAL CB C 111 30.600 30.600 32.168 -1.568 18788 14808 1 20 . 1 1 111 111 VAL H H 111 9.180 9.180 9.322 -0.142 18788 14809 1 20 . 1 1 112 112 ALA N N 112 131.500 131.500 129.419 2.081 18788 14810 1 20 . 1 1 112 112 ALA HA H 112 4.150 4.150 4.515 -0.365 18788 14811 1 20 . 1 1 112 112 ALA C C 112 173.300 173.300 175.931 -2.631 18788 14812 1 20 . 1 1 112 112 ALA CA C 112 51.300 51.300 50.412 0.888 18788 14813 1 20 . 1 1 112 112 ALA CB C 112 23.900 23.900 21.447 2.453 18788 14814 1 20 . 1 1 112 112 ALA H H 112 8.000 8.000 8.560 -0.560 18788 14815 1 20 . 1 1 114 114 VAL N N 114 123.100 123.100 125.805 -2.705 18788 14816 1 20 . 1 1 114 114 VAL HA H 114 3.550 3.550 3.990 -0.440 18788 14817 1 20 . 1 1 114 114 VAL C C 114 174.600 174.600 175.412 -0.812 18788 14818 1 20 . 1 1 114 114 VAL CA C 114 62.000 62.000 63.063 -1.063 18788 14819 1 20 . 1 1 114 114 VAL CB C 114 30.300 30.300 32.371 -2.071 18788 14820 1 20 . 1 1 114 114 VAL H H 114 7.480 7.480 8.489 -1.009 18788 14821 1 20 . 1 1 115 115 TYR N N 115 130.100 130.100 128.782 1.318 18788 14822 1 20 . 1 1 115 115 TYR HA H 115 4.940 4.940 4.740 0.200 18788 14823 1 20 . 1 1 115 115 TYR C C 115 175.700 175.700 174.172 1.528 18788 14824 1 20 . 1 1 115 115 TYR CA C 115 54.900 54.900 57.008 -2.108 18788 14825 1 20 . 1 1 115 115 TYR CB C 115 38.200 38.200 41.924 -3.724 18788 14826 1 20 . 1 1 115 115 TYR H H 115 8.970 8.970 8.764 0.206 18788 14827 1 20 . 1 1 116 116 LYS N N 116 125.400 125.400 126.579 -1.179 18788 14828 1 20 . 1 1 116 116 LYS HA H 116 3.940 3.940 4.955 -1.015 18788 14829 1 20 . 1 1 116 116 LYS C C 116 175.100 175.100 175.012 0.088 18788 14830 1 20 . 1 1 116 116 LYS CA C 116 56.400 56.400 53.222 3.178 18788 14831 1 20 . 1 1 116 116 LYS CB C 116 31.600 31.600 32.333 -0.733 18788 14832 1 20 . 1 1 116 116 LYS H H 116 8.770 8.770 8.089 0.681 18788 14833 1 20 . 1 1 117 117 PRO HA H 117 4.620 4.620 4.716 -0.096 18788 14834 1 20 . 1 1 117 117 PRO C C 117 175.600 175.600 175.761 -0.161 18788 14835 1 20 . 1 1 117 117 PRO CA C 117 64.100 64.100 62.875 1.225 18788 14836 1 20 . 1 1 117 117 PRO CB C 117 32.600 32.600 32.141 0.459 18788 14837 1 20 . 1 1 118 118 ASN N N 118 128.800 128.800 119.778 9.022 18788 14838 1 20 . 1 1 118 118 ASN HA H 118 5.310 5.310 4.958 0.352 18788 14839 1 20 . 1 1 118 118 ASN C C 118 174.500 174.500 173.921 0.579 18788 14840 1 20 . 1 1 118 118 ASN CA C 118 51.600 51.600 53.335 -1.735 18788 14841 1 20 . 1 1 118 118 ASN CB C 118 36.200 36.200 37.680 -1.480 18788 14842 1 20 . 1 1 118 118 ASN H H 118 8.710 8.710 7.931 0.779 18788 14843 1 20 . 1 1 119 119 ASN N N 119 117.600 117.600 117.786 -0.186 18788 14844 1 20 . 1 1 119 119 ASN HA H 119 5.020 5.020 5.144 -0.124 18788 14845 1 20 . 1 1 119 119 ASN C C 119 177.500 177.500 174.279 3.221 18788 14846 1 20 . 1 1 119 119 ASN CA C 119 51.900 51.900 52.867 -0.966 18788 14847 1 20 . 1 1 119 119 ASN CB C 119 39.100 39.100 39.038 0.062 18788 14848 1 20 . 1 1 119 119 ASN H H 119 8.120 8.120 8.242 -0.122 18788 14849 1 20 . 1 1 120 120 THR N N 120 124.400 124.400 118.058 6.342 18788 14850 1 20 . 1 1 120 120 THR HA H 120 3.850 3.850 4.582 -0.732 18788 14851 1 20 . 1 1 120 120 THR C C 120 176.400 176.400 175.005 1.395 18788 14852 1 20 . 1 1 120 120 THR CA C 120 69.100 69.100 63.604 5.496 18788 14853 1 20 . 1 1 120 120 THR CB C 120 66.800 66.800 70.017 -3.217 18788 14854 1 20 . 1 1 120 120 THR H H 120 10.730 10.730 8.817 1.913 18788 14855 1 20 . 1 1 121 121 HIS N N 121 113.400 113.400 119.527 -6.127 18788 14856 1 20 . 1 1 121 121 HIS HA H 121 5.420 5.420 4.819 0.601 18788 14857 1 20 . 1 1 121 121 HIS C C 121 174.800 174.800 175.954 -1.154 18788 14858 1 20 . 1 1 121 121 HIS CA C 121 53.900 53.900 55.600 -1.700 18788 14859 1 20 . 1 1 121 121 HIS CB C 121 29.400 29.400 30.334 -0.934 18788 14860 1 20 . 1 1 121 121 HIS H H 121 6.860 6.860 8.030 -1.170 18788 14861 1 20 . 1 1 122 122 GLU N N 122 120.200 120.200 120.871 -0.671 18788 14862 1 20 . 1 1 122 122 GLU HA H 122 3.700 3.700 4.031 -0.331 18788 14863 1 20 . 1 1 122 122 GLU C C 122 177.200 177.200 178.143 -0.943 18788 14864 1 20 . 1 1 122 122 GLU CA C 122 61.200 61.200 60.104 1.096 18788 14865 1 20 . 1 1 122 122 GLU CB C 122 29.900 29.900 28.400 1.500 18788 14866 1 20 . 1 1 122 122 GLU H H 122 7.540 7.540 8.873 -1.333 18788 14867 1 20 . 1 1 123 123 GLN N N 123 117.200 117.200 119.013 -1.813 18788 14868 1 20 . 1 1 123 123 GLN HA H 123 3.970 3.970 4.086 -0.116 18788 14869 1 20 . 1 1 123 123 GLN C C 123 178.600 178.600 178.333 0.267 18788 14870 1 20 . 1 1 123 123 GLN CA C 123 59.500 59.500 58.497 1.003 18788 14871 1 20 . 1 1 123 123 GLN CB C 123 27.100 27.100 28.009 -0.909 18788 14872 1 20 . 1 1 123 123 GLN H H 123 8.920 8.920 8.426 0.494 18788 14873 1 20 . 1 1 124 124 LEU N N 124 122.000 122.000 120.975 1.025 18788 14874 1 20 . 1 1 124 124 LEU HA H 124 4.090 4.090 4.071 0.019 18788 14875 1 20 . 1 1 124 124 LEU C C 124 179.100 179.100 178.737 0.363 18788 14876 1 20 . 1 1 124 124 LEU CA C 124 58.600 58.600 57.788 0.812 18788 14877 1 20 . 1 1 124 124 LEU CB C 124 42.000 42.000 41.139 0.861 18788 14878 1 20 . 1 1 124 124 LEU H H 124 7.940 7.940 7.865 0.075 18788 14879 1 20 . 1 1 125 125 LEU N N 125 118.900 118.900 118.846 0.054 18788 14880 1 20 . 1 1 125 125 LEU HA H 125 4.000 4.000 3.941 0.059 18788 14881 1 20 . 1 1 125 125 LEU C C 125 179.200 179.200 178.989 0.211 18788 14882 1 20 . 1 1 125 125 LEU CA C 125 58.900 58.900 57.970 0.930 18788 14883 1 20 . 1 1 125 125 LEU CB C 125 41.100 41.100 41.519 -0.419 18788 14884 1 20 . 1 1 125 125 LEU H H 125 8.030 8.030 8.065 -0.035 18788 14885 1 20 . 1 1 126 126 ARG N N 126 118.800 118.800 119.513 -0.713 18788 14886 1 20 . 1 1 126 126 ARG HA H 126 4.030 4.030 3.913 0.117 18788 14887 1 20 . 1 1 126 126 ARG C C 126 179.700 179.700 178.675 1.025 18788 14888 1 20 . 1 1 126 126 ARG CA C 126 60.600 60.600 60.057 0.543 18788 14889 1 20 . 1 1 126 126 ARG CB C 126 29.100 29.100 30.075 -0.975 18788 14890 1 20 . 1 1 126 126 ARG H H 126 9.010 9.010 8.650 0.360 18788 14891 1 20 . 1 1 127 127 LYS N N 127 122.700 122.700 119.375 3.325 18788 14892 1 20 . 1 1 127 127 LYS HA H 127 4.150 4.150 4.097 0.053 18788 14893 1 20 . 1 1 127 127 LYS C C 127 179.800 179.800 178.976 0.824 18788 14894 1 20 . 1 1 127 127 LYS CA C 127 60.100 60.100 58.952 1.148 18788 14895 1 20 . 1 1 127 127 LYS CB C 127 31.700 31.700 31.498 0.202 18788 14896 1 20 . 1 1 127 127 LYS H H 127 8.160 8.160 8.216 -0.056 18788 14897 1 20 . 1 1 128 128 SER N N 128 118.300 118.300 117.209 1.091 18788 14898 1 20 . 1 1 128 128 SER HA H 128 4.320 4.320 4.160 0.160 18788 14899 1 20 . 1 1 128 128 SER C C 128 175.500 175.500 176.019 -0.519 18788 14900 1 20 . 1 1 128 128 SER CA C 128 63.600 63.600 62.132 1.468 18788 14901 1 20 . 1 1 128 128 SER CB C 128 62.600 62.600 62.902 -0.302 18788 14902 1 20 . 1 1 128 128 SER H H 128 7.830 7.830 7.614 0.216 18788 14903 1 20 . 1 1 129 129 GLU N N 129 125.200 125.200 123.233 1.967 18788 14904 1 20 . 1 1 129 129 GLU HA H 129 3.900 3.900 4.058 -0.158 18788 14905 1 20 . 1 1 129 129 GLU C C 129 177.400 177.400 178.223 -0.823 18788 14906 1 20 . 1 1 129 129 GLU CA C 129 59.200 59.200 59.377 -0.177 18788 14907 1 20 . 1 1 129 129 GLU CB C 129 30.900 30.900 29.742 1.158 18788 14908 1 20 . 1 1 129 129 GLU H H 129 8.580 8.580 8.111 0.469 18788 14909 1 20 . 1 1 130 130 ALA N N 130 119.500 119.500 121.440 -1.940 18788 14910 1 20 . 1 1 130 130 ALA HA H 130 3.850 3.850 3.830 0.020 18788 14911 1 20 . 1 1 130 130 ALA C C 130 181.000 181.000 179.783 1.217 18788 14912 1 20 . 1 1 130 130 ALA CA C 130 55.000 55.000 55.099 -0.099 18788 14913 1 20 . 1 1 130 130 ALA CB C 130 17.600 17.600 17.866 -0.265 18788 14914 1 20 . 1 1 130 130 ALA H H 130 7.950 7.950 7.722 0.228 18788 14915 1 20 . 1 1 131 131 GLN N N 131 118.600 118.600 118.950 -0.350 18788 14916 1 20 . 1 1 131 131 GLN HA H 131 3.990 3.990 4.020 -0.030 18788 14917 1 20 . 1 1 131 131 GLN C C 131 177.200 177.200 178.258 -1.058 18788 14918 1 20 . 1 1 131 131 GLN CA C 131 58.800 58.800 58.520 0.280 18788 14919 1 20 . 1 1 131 131 GLN CB C 131 28.000 28.000 28.524 -0.524 18788 14920 1 20 . 1 1 131 131 GLN H H 131 7.520 7.520 7.759 -0.239 18788 14921 1 20 . 1 1 132 132 ALA N N 132 123.100 123.100 122.266 0.834 18788 14922 1 20 . 1 1 132 132 ALA HA H 132 3.930 3.930 4.087 -0.157 18788 14923 1 20 . 1 1 132 132 ALA C C 132 179.500 179.500 179.595 -0.095 18788 14924 1 20 . 1 1 132 132 ALA CA C 132 55.600 55.600 55.149 0.451 18788 14925 1 20 . 1 1 132 132 ALA CB C 132 18.400 18.400 18.554 -0.154 18788 14926 1 20 . 1 1 132 132 ALA H H 132 8.000 8.000 8.250 -0.250 18788 14927 1 20 . 1 1 133 133 LYS N N 133 117.200 117.200 117.690 -0.490 18788 14928 1 20 . 1 1 133 133 LYS HA H 133 3.450 3.450 3.509 -0.059 18788 14929 1 20 . 1 1 133 133 LYS C C 133 180.800 180.800 179.095 1.705 18788 14930 1 20 . 1 1 133 133 LYS CA C 133 59.500 59.500 59.187 0.313 18788 14931 1 20 . 1 1 133 133 LYS CB C 133 32.200 32.200 32.100 0.100 18788 14932 1 20 . 1 1 133 133 LYS H H 133 8.170 8.170 7.964 0.206 18788 14933 1 20 . 1 1 134 134 LYS N N 134 122.600 122.600 117.719 4.881 18788 14934 1 20 . 1 1 134 134 LYS HA H 134 3.960 3.960 4.124 -0.164 18788 14935 1 20 . 1 1 134 134 LYS C C 134 178.700 178.700 178.815 -0.115 18788 14936 1 20 . 1 1 134 134 LYS CA C 134 59.200 59.200 58.522 0.678 18788 14937 1 20 . 1 1 134 134 LYS CB C 134 32.200 32.200 31.543 0.658 18788 14938 1 20 . 1 1 134 134 LYS H H 134 7.830 7.830 7.738 0.092 18788 14939 1 20 . 1 1 135 135 GLU N N 135 116.500 116.500 118.854 -2.354 18788 14940 1 20 . 1 1 135 135 GLU HA H 135 4.030 4.030 4.240 -0.210 18788 14941 1 20 . 1 1 135 135 GLU C C 135 174.500 174.500 176.356 -1.856 18788 14942 1 20 . 1 1 135 135 GLU CA C 135 56.700 56.700 56.863 -0.163 18788 14943 1 20 . 1 1 135 135 GLU CB C 135 29.700 29.700 29.729 -0.029 18788 14944 1 20 . 1 1 135 135 GLU H H 135 7.680 7.680 7.793 -0.113 18788 14945 1 20 . 1 1 136 136 LYS N N 136 116.800 116.800 116.364 0.436 18788 14946 1 20 . 1 1 136 136 LYS HA H 136 3.540 3.540 4.130 -0.590 18788 14947 1 20 . 1 1 136 136 LYS C C 136 175.000 175.000 175.938 -0.938 18788 14948 1 20 . 1 1 136 136 LYS CA C 136 56.800 56.800 56.573 0.227 18788 14949 1 20 . 1 1 136 136 LYS CB C 136 28.800 28.800 29.922 -1.121 18788 14950 1 20 . 1 1 136 136 LYS H H 136 7.820 7.820 7.657 0.163 18788 14951 1 20 . 1 1 137 137 LEU N N 137 117.000 117.000 119.419 -2.419 18788 14952 1 20 . 1 1 137 137 LEU HA H 137 4.190 4.190 4.235 -0.045 18788 14953 1 20 . 1 1 137 137 LEU C C 137 178.500 178.500 178.339 0.161 18788 14954 1 20 . 1 1 137 137 LEU CA C 137 55.000 55.000 55.120 -0.120 18788 14955 1 20 . 1 1 137 137 LEU CB C 137 44.000 44.000 41.807 2.193 18788 14956 1 20 . 1 1 137 137 LEU H H 137 7.650 7.650 8.175 -0.525 18788 14957 1 20 . 1 1 138 138 ASN N N 138 118.700 118.700 119.183 -0.483 18788 14958 1 20 . 1 1 138 138 ASN HA H 138 3.730 3.730 4.311 -0.581 18788 14959 1 20 . 1 1 138 138 ASN C C 138 176.300 176.300 177.953 -1.653 18788 14960 1 20 . 1 1 138 138 ASN CA C 138 56.600 56.600 56.515 0.085 18788 14961 1 20 . 1 1 138 138 ASN CB C 138 38.700 38.700 38.421 0.279 18788 14962 1 20 . 1 1 138 138 ASN H H 138 9.050 9.050 8.860 0.190 18788 14963 1 20 . 1 1 139 139 ILE N N 139 123.800 123.800 112.752 11.048 18788 14964 1 20 . 1 1 139 139 ILE HA H 139 3.380 3.380 3.963 -0.583 18788 14965 1 20 . 1 1 139 139 ILE C C 139 176.700 176.700 175.816 0.884 18788 14966 1 20 . 1 1 139 139 ILE CA C 139 65.700 65.700 62.522 3.178 18788 14967 1 20 . 1 1 139 139 ILE CB C 139 37.000 37.000 37.198 -0.198 18788 14968 1 20 . 1 1 139 139 ILE H H 139 8.350 8.350 7.215 1.135 18788 14969 1 20 . 1 1 140 140 TRP N N 140 119.700 119.700 119.483 0.217 18788 14970 1 20 . 1 1 140 140 TRP HA H 140 4.940 4.940 4.796 0.144 18788 14971 1 20 . 1 1 140 140 TRP C C 140 176.200 176.200 176.526 -0.326 18788 14972 1 20 . 1 1 140 140 TRP CA C 140 54.900 54.900 56.047 -1.147 18788 14973 1 20 . 1 1 140 140 TRP CB C 140 30.000 30.000 30.225 -0.225 18788 14974 1 20 . 1 1 140 140 TRP H H 140 7.850 7.850 7.775 0.075 18788 14975 1 20 . 1 1 141 141 SER N N 141 116.100 116.100 115.348 0.752 18788 14976 1 20 . 1 1 141 141 SER HA H 141 4.220 4.220 4.594 -0.374 18788 14977 1 20 . 1 1 141 141 SER C C 141 175.200 175.200 174.822 0.378 18788 14978 1 20 . 1 1 141 141 SER CA C 141 59.800 59.800 57.475 2.325 18788 14979 1 20 . 1 1 141 141 SER CB C 141 64.600 64.600 64.190 0.410 18788 14980 1 20 . 1 1 141 141 SER H H 141 8.080 8.080 7.811 0.269 18788 14981 1 20 . 1 1 142 142 GLU N N 142 121.200 121.200 121.321 -0.121 18788 14982 1 20 . 1 1 142 142 GLU HA H 142 4.430 4.430 4.190 0.240 18788 14983 1 20 . 1 1 142 142 GLU C C 142 176.200 176.200 176.142 0.058 18788 14984 1 20 . 1 1 142 142 GLU CA C 142 56.100 56.100 57.379 -1.279 18788 14985 1 20 . 1 1 142 142 GLU CB C 142 30.500 30.500 29.705 0.795 18788 14986 1 20 . 1 1 142 142 GLU H H 142 8.020 8.020 8.597 -0.577 18788 14987 1 20 . 1 1 143 143 ASP N N 143 121.400 121.400 125.079 -3.679 18788 14988 1 20 . 1 1 143 143 ASP HA H 143 4.620 4.620 4.635 -0.015 18788 14989 1 20 . 1 1 143 143 ASP C C 143 176.100 176.100 176.676 -0.576 18788 14990 1 20 . 1 1 143 143 ASP CA C 143 54.800 54.800 54.162 0.638 18788 14991 1 20 . 1 1 143 143 ASP CB C 143 41.200 41.200 41.711 -0.511 18788 14992 1 20 . 1 1 143 143 ASP H H 143 8.370 8.370 8.501 -0.131 18788 14993 1 20 . 1 1 144 144 ASN N N 144 119.300 119.300 124.558 -5.258 18788 14994 1 20 . 1 1 144 144 ASN HA H 144 4.760 4.760 4.647 0.113 18788 14995 1 20 . 1 1 144 144 ASN C C 144 175.200 175.200 175.626 -0.426 18788 14996 1 20 . 1 1 144 144 ASN CA C 144 53.200 53.200 54.400 -1.200 18788 14997 1 20 . 1 1 144 144 ASN CB C 144 39.000 39.000 39.053 -0.054 18788 14998 1 20 . 1 1 144 144 ASN H H 144 8.400 8.400 8.847 -0.447 18788 14999 1 20 . 1 1 145 145 ALA N N 145 124.300 124.300 121.332 2.968 18788 15000 1 20 . 1 1 145 145 ALA HA H 145 4.310 4.310 3.927 0.383 18788 15001 1 20 . 1 1 145 145 ALA C C 145 177.700 177.700 177.303 0.397 18788 15002 1 20 . 1 1 145 145 ALA CA C 145 53.300 53.300 54.413 -1.113 18788 15003 1 20 . 1 1 145 145 ALA CB C 145 19.200 19.200 17.045 2.155 18788 15004 1 20 . 1 1 145 145 ALA H H 145 8.240 8.240 8.158 0.082 18788 15005 1 20 . 1 1 146 146 ASP N N 146 119.200 119.200 119.883 -0.683 18788 15006 1 20 . 1 1 146 146 ASP HA H 146 4.670 4.670 4.795 -0.125 18788 15007 1 20 . 1 1 146 146 ASP C C 146 176.400 176.400 177.059 -0.659 18788 15008 1 20 . 1 1 146 146 ASP CA C 146 54.400 54.400 53.838 0.562 18788 15009 1 20 . 1 1 146 146 ASP CB C 146 41.200 41.200 42.796 -1.596 18788 15010 1 20 . 1 1 146 146 ASP H H 146 8.340 8.340 8.685 -0.345 18788 15011 1 20 . 1 1 147 147 SER N N 147 116.100 116.100 116.171 -0.071 18788 15012 1 20 . 1 1 147 147 SER HA H 147 4.450 4.450 4.663 -0.213 18788 15013 1 20 . 1 1 147 147 SER C C 147 175.200 175.200 174.304 0.896 18788 15014 1 20 . 1 1 147 147 SER CA C 147 58.900 58.900 57.977 0.923 18788 15015 1 20 . 1 1 147 147 SER CB C 147 64.100 64.100 64.489 -0.389 18788 15016 1 20 . 1 1 147 147 SER H H 147 8.220 8.220 7.966 0.254 18788 15017 1 20 . 1 1 148 148 GLY N N 148 111.200 111.200 107.863 3.337 18788 15018 1 20 . 1 1 148 148 GLY C C 148 173.400 173.400 172.586 0.814 18788 15019 1 20 . 1 1 148 148 GLY CA C 148 45.500 45.500 45.286 0.214 18788 15020 1 20 . 1 1 148 148 GLY H H 148 8.470 8.470 8.278 0.192 18788 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 124 3.674 0.497 3.655 18788 2 1 1 "Average Difference" HA 140 0.283 0.013 0.283 18788 3 1 1 "Average Difference" C 130 1.201 -0.058 1.204 18788 4 1 1 "Average Difference" CA 131 1.243 -0.141 1.239 18788 5 1 1 "Average Difference" CB 120 1.311 -0.088 1.313 18788 6 1 1 "Average Difference" HN 124 0.560 -0.086 0.555 18788 7 1 2 "Average Difference" N 124 3.801 0.415 3.794 18788 8 1 2 "Average Difference" HA 140 0.291 0.032 0.291 18788 9 1 2 "Average Difference" C 130 1.123 0.049 1.127 18788 10 1 2 "Average Difference" CA 131 1.227 -0.164 1.221 18788 11 1 2 "Average Difference" CB 120 1.304 -0.136 1.303 18788 12 1 2 "Average Difference" HN 124 0.611 -0.057 0.611 18788 13 1 3 "Average Difference" N 124 4.063 0.336 4.065 18788 14 1 3 "Average Difference" HA 140 0.307 0.002 0.308 18788 15 1 3 "Average Difference" C 130 1.181 0.009 1.186 18788 16 1 3 "Average Difference" CA 131 1.177 -0.120 1.176 18788 17 1 3 "Average Difference" CB 120 1.392 -0.067 1.396 18788 18 1 3 "Average Difference" HN 124 0.598 -0.099 0.592 18788 19 1 4 "Average Difference" N 124 3.796 0.336 3.796 18788 20 1 4 "Average Difference" HA 140 0.290 0.019 0.290 18788 21 1 4 "Average Difference" C 130 1.243 -0.042 1.247 18788 22 1 4 "Average Difference" CA 131 1.083 -0.122 1.080 18788 23 1 4 "Average Difference" CB 120 1.299 -0.027 1.304 18788 24 1 4 "Average Difference" HN 124 0.586 -0.083 0.583 18788 25 1 5 "Average Difference" N 124 3.885 0.435 3.876 18788 26 1 5 "Average Difference" HA 140 0.289 -0.011 0.290 18788 27 1 5 "Average Difference" C 130 1.232 0.059 1.235 18788 28 1 5 "Average Difference" CA 131 1.266 -0.068 1.269 18788 29 1 5 "Average Difference" CB 120 1.365 -0.091 1.367 18788 30 1 5 "Average Difference" HN 124 0.625 -0.090 0.621 18788 31 1 6 "Average Difference" N 124 3.747 0.533 3.724 18788 32 1 6 "Average Difference" HA 140 0.282 0.006 0.283 18788 33 1 6 "Average Difference" C 130 1.152 0.008 1.157 18788 34 1 6 "Average Difference" CA 131 1.263 -0.185 1.254 18788 35 1 6 "Average Difference" CB 120 1.293 -0.158 1.288 18788 36 1 6 "Average Difference" HN 124 0.592 -0.070 0.590 18788 37 1 7 "Average Difference" N 124 3.594 0.509 3.573 18788 38 1 7 "Average Difference" HA 140 0.305 0.004 0.306 18788 39 1 7 "Average Difference" C 130 1.097 0.029 1.101 18788 40 1 7 "Average Difference" CA 131 1.077 -0.071 1.079 18788 41 1 7 "Average Difference" CB 120 1.318 -0.121 1.318 18788 42 1 7 "Average Difference" HN 124 0.574 -0.105 0.566 18788 43 1 8 "Average Difference" N 124 3.853 0.518 3.833 18788 44 1 8 "Average Difference" HA 140 0.280 -0.011 0.281 18788 45 1 8 "Average Difference" C 130 1.100 0.026 1.104 18788 46 1 8 "Average Difference" CA 131 1.091 -0.095 1.091 18788 47 1 8 "Average Difference" CB 120 1.331 -0.130 1.330 18788 48 1 8 "Average Difference" HN 124 0.593 -0.061 0.592 18788 49 1 9 "Average Difference" N 124 3.842 0.316 3.844 18788 50 1 9 "Average Difference" HA 140 0.303 0.010 0.304 18788 51 1 9 "Average Difference" C 130 1.166 0.004 1.170 18788 52 1 9 "Average Difference" CA 131 1.340 -0.096 1.341 18788 53 1 9 "Average Difference" CB 120 1.459 0.031 1.465 18788 54 1 9 "Average Difference" HN 124 0.591 -0.111 0.582 18788 55 1 10 "Average Difference" N 124 3.782 0.250 3.789 18788 56 1 10 "Average Difference" HA 140 0.273 0.001 0.274 18788 57 1 10 "Average Difference" C 130 1.122 0.046 1.125 18788 58 1 10 "Average Difference" CA 131 1.153 0.015 1.157 18788 59 1 10 "Average Difference" CB 120 1.287 -0.094 1.289 18788 60 1 10 "Average Difference" HN 124 0.588 -0.077 0.586 18788 61 1 11 "Average Difference" N 124 3.947 0.393 3.943 18788 62 1 11 "Average Difference" HA 140 0.290 0.014 0.291 18788 63 1 11 "Average Difference" C 130 1.201 -0.034 1.206 18788 64 1 11 "Average Difference" CA 131 1.364 -0.189 1.356 18788 65 1 11 "Average Difference" CB 120 1.424 -0.074 1.428 18788 66 1 11 "Average Difference" HN 124 0.585 -0.090 0.580 18788 67 1 12 "Average Difference" N 124 3.973 0.259 3.980 18788 68 1 12 "Average Difference" HA 140 0.304 0.015 0.304 18788 69 1 12 "Average Difference" C 130 1.137 0.046 1.140 18788 70 1 12 "Average Difference" CA 131 1.319 -0.142 1.316 18788 71 1 12 "Average Difference" CB 120 1.282 -0.024 1.288 18788 72 1 12 "Average Difference" HN 124 0.628 -0.061 0.628 18788 73 1 13 "Average Difference" N 124 3.837 0.240 3.845 18788 74 1 13 "Average Difference" HA 140 0.295 0.030 0.295 18788 75 1 13 "Average Difference" C 130 1.180 0.009 1.184 18788 76 1 13 "Average Difference" CA 131 1.259 -0.109 1.259 18788 77 1 13 "Average Difference" CB 120 1.390 -0.100 1.393 18788 78 1 13 "Average Difference" HN 124 0.593 -0.100 0.587 18788 79 1 14 "Average Difference" N 124 3.864 0.333 3.865 18788 80 1 14 "Average Difference" HA 140 0.304 0.018 0.305 18788 81 1 14 "Average Difference" C 130 1.193 -0.067 1.196 18788 82 1 14 "Average Difference" CA 131 1.235 -0.147 1.231 18788 83 1 14 "Average Difference" CB 120 1.272 -0.068 1.275 18788 84 1 14 "Average Difference" HN 124 0.642 -0.082 0.639 18788 85 1 15 "Average Difference" N 124 3.735 0.387 3.730 18788 86 1 15 "Average Difference" HA 140 0.297 0.016 0.297 18788 87 1 15 "Average Difference" C 130 1.197 0.052 1.200 18788 88 1 15 "Average Difference" CA 131 1.148 -0.101 1.148 18788 89 1 15 "Average Difference" CB 120 1.378 -0.176 1.373 18788 90 1 15 "Average Difference" HN 124 0.573 -0.143 0.557 18788 91 1 16 "Average Difference" N 124 3.855 0.504 3.838 18788 92 1 16 "Average Difference" HA 140 0.280 0.016 0.281 18788 93 1 16 "Average Difference" C 130 1.105 -0.060 1.108 18788 94 1 16 "Average Difference" CA 131 1.190 -0.153 1.184 18788 95 1 16 "Average Difference" CB 120 1.314 -0.099 1.316 18788 96 1 16 "Average Difference" HN 124 0.624 -0.075 0.622 18788 97 1 17 "Average Difference" N 124 3.860 0.252 3.867 18788 98 1 17 "Average Difference" HA 140 0.304 0.058 0.300 18788 99 1 17 "Average Difference" C 130 1.221 -0.059 1.224 18788 100 1 17 "Average Difference" CA 131 1.326 -0.245 1.308 18788 101 1 17 "Average Difference" CB 120 1.265 -0.070 1.269 18788 102 1 17 "Average Difference" HN 124 0.631 -0.126 0.621 18788 103 1 18 "Average Difference" N 124 3.880 0.595 3.850 18788 104 1 18 "Average Difference" HA 140 0.308 0.004 0.309 18788 105 1 18 "Average Difference" C 130 1.073 0.001 1.077 18788 106 1 18 "Average Difference" CA 131 1.193 -0.227 1.175 18788 107 1 18 "Average Difference" CB 120 1.272 -0.151 1.268 18788 108 1 18 "Average Difference" HN 124 0.648 -0.156 0.631 18788 109 1 19 "Average Difference" N 124 4.121 0.530 4.103 18788 110 1 19 "Average Difference" HA 140 0.295 0.020 0.295 18788 111 1 19 "Average Difference" C 130 1.162 0.018 1.166 18788 112 1 19 "Average Difference" CA 131 1.293 -0.152 1.289 18788 113 1 19 "Average Difference" CB 120 1.279 -0.102 1.281 18788 114 1 19 "Average Difference" HN 124 0.610 -0.098 0.605 18788 115 1 20 "Average Difference" N 124 3.827 0.312 3.829 18788 116 1 20 "Average Difference" HA 140 0.320 0.033 0.319 18788 117 1 20 "Average Difference" C 130 1.179 -0.005 1.183 18788 118 1 20 "Average Difference" CA 131 1.258 -0.120 1.257 18788 119 1 20 "Average Difference" CB 120 1.436 -0.003 1.442 18788 120 1 20 "Average Difference" HN 124 0.651 -0.077 0.649 18788 stop_ save_ save_delta_chem_shifts_average _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average _Entity_delta_chem_shifts.Model_type average _Entity_delta_chem_shifts.Entry_ID 18788 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 THR N N 2 120.300 120.300 116.035 4.265 18788 2 1 . 1 1 2 2 THR HA H 2 4.430 4.430 4.353 0.077 18788 3 1 . 1 1 2 2 THR C C 2 174.400 174.400 174.032 0.368 18788 4 1 . 1 1 2 2 THR CA C 2 62.100 62.100 62.647 -0.547 18788 5 1 . 1 1 2 2 THR CB C 2 69.900 69.900 68.984 0.916 18788 6 1 . 1 1 2 2 THR H H 2 8.320 8.320 8.301 0.019 18788 7 1 . 1 1 3 3 SER N N 3 118.700 118.700 119.150 -0.450 18788 8 1 . 1 1 3 3 SER HA H 3 5.000 5.000 4.656 0.344 18788 9 1 . 1 1 3 3 SER CA C 3 58.400 58.400 57.654 0.746 18788 10 1 . 1 1 3 3 SER CB C 3 68.800 68.800 64.697 4.103 18788 11 1 . 1 1 3 3 SER H H 3 8.520 8.520 8.115 0.405 18788 12 1 . 1 1 4 4 THR HA H 4 4.380 4.380 4.453 -0.073 18788 13 1 . 1 1 4 4 THR C C 4 174.400 174.400 174.326 0.074 18788 14 1 . 1 1 4 4 THR CA C 4 62.000 62.000 62.434 -0.434 18788 15 1 . 1 1 4 4 THR CB C 4 69.700 69.700 69.094 0.606 18788 16 1 . 1 1 5 5 LYS N N 5 124.000 124.000 125.045 -1.045 18788 17 1 . 1 1 5 5 LYS HA H 5 4.370 4.370 4.301 0.069 18788 18 1 . 1 1 5 5 LYS C C 5 176.100 176.100 175.686 0.414 18788 19 1 . 1 1 5 5 LYS CA C 5 56.500 56.500 56.683 -0.183 18788 20 1 . 1 1 5 5 LYS CB C 5 32.900 32.900 32.973 -0.073 18788 21 1 . 1 1 5 5 LYS H H 5 8.320 8.320 8.432 -0.112 18788 22 1 . 1 1 6 6 LYS N N 6 122.500 122.500 119.567 2.933 18788 23 1 . 1 1 6 6 LYS HA H 6 4.400 4.400 4.386 0.014 18788 24 1 . 1 1 6 6 LYS C C 6 176.200 176.200 175.568 0.632 18788 25 1 . 1 1 6 6 LYS CA C 6 55.900 55.900 55.771 0.129 18788 26 1 . 1 1 6 6 LYS CB C 6 33.600 33.600 33.457 0.143 18788 27 1 . 1 1 6 6 LYS H H 6 8.220 8.220 8.002 0.218 18788 28 1 . 1 1 7 7 LEU N N 7 122.200 122.200 119.313 2.887 18788 29 1 . 1 1 7 7 LEU HA H 7 4.550 4.550 4.748 -0.198 18788 30 1 . 1 1 7 7 LEU C C 7 176.600 176.600 176.424 0.176 18788 31 1 . 1 1 7 7 LEU CA C 7 54.800 54.800 55.065 -0.265 18788 32 1 . 1 1 7 7 LEU CB C 7 41.500 41.500 42.739 -1.240 18788 33 1 . 1 1 7 7 LEU H H 7 8.340 8.340 8.457 -0.117 18788 34 1 . 1 1 8 8 HIS N N 8 119.200 119.200 115.803 3.397 18788 35 1 . 1 1 8 8 HIS HA H 8 4.990 4.990 4.958 0.032 18788 36 1 . 1 1 8 8 HIS C C 8 173.700 173.700 174.015 -0.315 18788 37 1 . 1 1 8 8 HIS CA C 8 55.300 55.300 54.504 0.796 18788 38 1 . 1 1 8 8 HIS CB C 8 32.200 32.200 32.281 -0.081 18788 39 1 . 1 1 8 8 HIS H H 8 8.860 8.860 8.456 0.404 18788 40 1 . 1 1 9 9 LYS N N 9 124.000 124.000 124.561 -0.561 18788 41 1 . 1 1 9 9 LYS HA H 9 4.840 4.840 4.705 0.135 18788 42 1 . 1 1 9 9 LYS C C 9 176.400 176.400 176.273 0.127 18788 43 1 . 1 1 9 9 LYS CA C 9 55.700 55.700 55.742 -0.042 18788 44 1 . 1 1 9 9 LYS CB C 9 34.700 34.700 33.551 1.149 18788 45 1 . 1 1 9 9 LYS H H 9 8.480 8.480 8.665 -0.185 18788 46 1 . 1 1 10 10 GLU N N 10 123.100 123.100 123.454 -0.354 18788 47 1 . 1 1 10 10 GLU HA H 10 5.060 5.060 4.995 0.065 18788 48 1 . 1 1 10 10 GLU C C 10 173.200 173.200 174.384 -1.184 18788 49 1 . 1 1 10 10 GLU CA C 10 53.400 53.400 53.020 0.380 18788 50 1 . 1 1 10 10 GLU CB C 10 33.000 33.000 31.978 1.022 18788 51 1 . 1 1 10 10 GLU H H 10 9.390 9.390 8.879 0.511 18788 52 1 . 1 1 11 11 PRO HA H 11 4.900 4.900 4.822 0.078 18788 53 1 . 1 1 11 11 PRO C C 11 175.400 175.400 175.603 -0.203 18788 54 1 . 1 1 11 11 PRO CA C 11 63.100 63.100 62.912 0.188 18788 55 1 . 1 1 11 11 PRO CB C 11 33.000 33.000 32.309 0.691 18788 56 1 . 1 1 12 12 ALA N N 12 119.700 119.700 124.400 -4.700 18788 57 1 . 1 1 12 12 ALA HA H 12 4.990 4.990 5.277 -0.287 18788 58 1 . 1 1 12 12 ALA C C 12 175.400 175.400 175.593 -0.193 18788 59 1 . 1 1 12 12 ALA CA C 12 51.600 51.600 50.797 0.803 18788 60 1 . 1 1 12 12 ALA CB C 12 24.600 24.600 23.370 1.230 18788 61 1 . 1 1 12 12 ALA H H 12 8.070 8.070 8.895 -0.825 18788 62 1 . 1 1 13 13 THR N N 13 109.100 109.100 114.421 -5.321 18788 63 1 . 1 1 13 13 THR HA H 13 4.700 4.700 4.680 0.020 18788 64 1 . 1 1 13 13 THR C C 13 174.000 174.000 173.067 0.933 18788 65 1 . 1 1 13 13 THR CA C 13 60.700 60.700 61.524 -0.824 18788 66 1 . 1 1 13 13 THR CB C 13 71.600 71.600 72.260 -0.660 18788 67 1 . 1 1 13 13 THR H H 13 8.090 8.090 8.203 -0.113 18788 68 1 . 1 1 14 14 LEU N N 14 125.200 125.200 127.035 -1.835 18788 69 1 . 1 1 14 14 LEU HA H 14 4.140 4.140 4.256 -0.116 18788 70 1 . 1 1 14 14 LEU C C 14 176.700 176.700 175.647 1.053 18788 71 1 . 1 1 14 14 LEU CA C 14 56.800 56.800 55.802 0.998 18788 72 1 . 1 1 14 14 LEU CB C 14 42.900 42.900 42.940 -0.040 18788 73 1 . 1 1 14 14 LEU H H 14 9.150 9.150 8.807 0.343 18788 74 1 . 1 1 15 15 ILE N N 15 125.200 125.200 124.714 0.486 18788 75 1 . 1 1 15 15 ILE HA H 15 4.220 4.220 4.200 0.020 18788 76 1 . 1 1 15 15 ILE C C 15 175.900 175.900 175.918 -0.018 18788 77 1 . 1 1 15 15 ILE CA C 15 64.300 64.300 62.551 1.749 18788 78 1 . 1 1 15 15 ILE CB C 15 38.700 38.700 39.312 -0.612 18788 79 1 . 1 1 15 15 ILE H H 15 8.460 8.460 8.646 -0.186 18788 80 1 . 1 1 16 16 LYS N N 16 114.100 114.100 117.820 -3.720 18788 81 1 . 1 1 16 16 LYS HA H 16 4.460 4.460 4.608 -0.148 18788 82 1 . 1 1 16 16 LYS C C 16 174.000 174.000 174.263 -0.263 18788 83 1 . 1 1 16 16 LYS CA C 16 56.600 56.600 54.888 1.712 18788 84 1 . 1 1 16 16 LYS CB C 16 35.300 35.300 36.668 -1.368 18788 85 1 . 1 1 16 16 LYS H H 16 8.050 8.050 8.215 -0.165 18788 86 1 . 1 1 17 17 ALA N N 17 129.100 129.100 126.338 2.762 18788 87 1 . 1 1 17 17 ALA HA H 17 4.480 4.480 4.510 -0.029 18788 88 1 . 1 1 17 17 ALA C C 17 175.700 175.700 176.871 -1.171 18788 89 1 . 1 1 17 17 ALA CA C 17 52.300 52.300 51.922 0.378 18788 90 1 . 1 1 17 17 ALA CB C 17 18.200 18.200 19.241 -1.041 18788 91 1 . 1 1 17 17 ALA H H 17 9.470 9.470 8.649 0.821 18788 92 1 . 1 1 18 18 ILE N N 18 123.500 123.500 123.641 -0.141 18788 93 1 . 1 1 18 18 ILE HA H 18 4.110 4.110 4.170 -0.060 18788 94 1 . 1 1 18 18 ILE C C 18 175.100 175.100 176.468 -1.368 18788 95 1 . 1 1 18 18 ILE CA C 18 63.200 63.200 62.473 0.727 18788 96 1 . 1 1 18 18 ILE CB C 18 37.800 37.800 38.580 -0.780 18788 97 1 . 1 1 18 18 ILE H H 18 8.070 8.070 8.416 -0.346 18788 98 1 . 1 1 19 19 ASP N N 19 120.500 120.500 116.193 4.307 18788 99 1 . 1 1 19 19 ASP HA H 19 4.730 4.730 4.772 -0.042 18788 100 1 . 1 1 19 19 ASP C C 19 176.800 176.800 177.005 -0.205 18788 101 1 . 1 1 19 19 ASP CA C 19 53.400 53.400 53.475 -0.075 18788 102 1 . 1 1 19 19 ASP CB C 19 40.100 40.100 42.939 -2.839 18788 103 1 . 1 1 19 19 ASP H H 19 8.290 8.290 8.101 0.189 18788 104 1 . 1 1 20 20 GLY N N 20 103.500 103.500 107.735 -4.235 18788 105 1 . 1 1 20 20 GLY C C 20 173.300 173.300 175.128 -1.828 18788 106 1 . 1 1 20 20 GLY CA C 20 47.700 47.700 47.292 0.408 18788 107 1 . 1 1 20 20 GLY H H 20 8.460 8.460 8.664 -0.204 18788 108 1 . 1 1 21 21 ASP N N 21 111.200 111.200 119.323 -8.123 18788 109 1 . 1 1 21 21 ASP HA H 21 4.850 4.850 4.655 0.196 18788 110 1 . 1 1 21 21 ASP C C 21 175.300 175.300 175.609 -0.309 18788 111 1 . 1 1 21 21 ASP CA C 21 52.100 52.100 54.642 -2.542 18788 112 1 . 1 1 21 21 ASP CB C 21 40.600 40.600 41.363 -0.763 18788 113 1 . 1 1 21 21 ASP H H 21 7.640 7.640 8.174 -0.534 18788 114 1 . 1 1 22 22 THR N N 22 113.200 113.200 116.325 -3.125 18788 115 1 . 1 1 22 22 THR HA H 22 5.700 5.700 5.421 0.279 18788 116 1 . 1 1 22 22 THR C C 22 174.000 174.000 173.542 0.458 18788 117 1 . 1 1 22 22 THR CA C 22 61.000 61.000 62.063 -1.063 18788 118 1 . 1 1 22 22 THR CB C 22 71.800 71.800 70.527 1.273 18788 119 1 . 1 1 22 22 THR H H 22 7.610 7.610 7.671 -0.061 18788 120 1 . 1 1 23 23 VAL N N 23 118.000 118.000 120.328 -2.328 18788 121 1 . 1 1 23 23 VAL HA H 23 4.620 4.620 4.786 -0.166 18788 122 1 . 1 1 23 23 VAL C C 23 172.100 172.100 173.278 -1.178 18788 123 1 . 1 1 23 23 VAL CA C 23 60.100 60.100 59.575 0.525 18788 124 1 . 1 1 23 23 VAL CB C 23 36.200 36.200 35.394 0.806 18788 125 1 . 1 1 23 23 VAL H H 23 8.910 8.910 9.008 -0.098 18788 126 1 . 1 1 24 24 LYS N N 24 127.000 127.000 123.154 3.846 18788 127 1 . 1 1 24 24 LYS HA H 24 5.440 5.440 5.272 0.168 18788 128 1 . 1 1 24 24 LYS C C 24 175.200 175.200 174.956 0.244 18788 129 1 . 1 1 24 24 LYS CA C 24 55.600 55.600 55.031 0.569 18788 130 1 . 1 1 24 24 LYS CB C 24 34.400 34.400 34.659 -0.259 18788 131 1 . 1 1 24 24 LYS H H 24 9.470 9.470 8.993 0.477 18788 132 1 . 1 1 25 25 LEU N N 25 127.000 127.000 122.763 4.237 18788 133 1 . 1 1 25 25 LEU HA H 25 5.210 5.210 4.983 0.227 18788 134 1 . 1 1 25 25 LEU C C 25 174.500 174.500 174.786 -0.286 18788 135 1 . 1 1 25 25 LEU CA C 25 53.100 53.100 52.939 0.161 18788 136 1 . 1 1 25 25 LEU CB C 25 45.500 45.500 45.121 0.379 18788 137 1 . 1 1 25 25 LEU H H 25 9.380 9.380 9.169 0.211 18788 138 1 . 1 1 26 26 MET N N 26 122.000 122.000 119.924 2.076 18788 139 1 . 1 1 26 26 MET HA H 26 4.880 4.880 4.926 -0.046 18788 140 1 . 1 1 26 26 MET C C 26 175.100 175.100 174.452 0.648 18788 141 1 . 1 1 26 26 MET CA C 26 54.700 54.700 55.184 -0.484 18788 142 1 . 1 1 26 26 MET CB C 26 31.400 31.400 33.538 -2.138 18788 143 1 . 1 1 26 26 MET H H 26 9.530 9.530 8.970 0.560 18788 144 1 . 1 1 27 27 TYR N N 27 129.600 129.600 129.540 0.060 18788 145 1 . 1 1 27 27 TYR HA H 27 5.050 5.050 4.879 0.171 18788 146 1 . 1 1 27 27 TYR C C 27 173.900 173.900 175.083 -1.183 18788 147 1 . 1 1 27 27 TYR CA C 27 57.000 57.000 56.614 0.386 18788 148 1 . 1 1 27 27 TYR CB C 27 41.700 41.700 39.692 2.008 18788 149 1 . 1 1 27 27 TYR H H 27 9.040 9.040 9.401 -0.361 18788 150 1 . 1 1 28 28 LYS N N 28 127.600 127.600 127.986 -0.386 18788 151 1 . 1 1 28 28 LYS HA H 28 3.590 3.590 3.757 -0.167 18788 152 1 . 1 1 28 28 LYS C C 28 176.900 176.900 175.999 0.901 18788 153 1 . 1 1 28 28 LYS CA C 28 57.100 57.100 57.049 0.051 18788 154 1 . 1 1 28 28 LYS CB C 28 29.700 29.700 30.378 -0.678 18788 155 1 . 1 1 28 28 LYS H H 28 9.310 9.310 9.078 0.232 18788 156 1 . 1 1 29 29 GLY N N 29 102.400 102.400 102.963 -0.563 18788 157 1 . 1 1 29 29 GLY C C 29 173.600 173.600 174.052 -0.452 18788 158 1 . 1 1 29 29 GLY CA C 29 45.600 45.600 45.030 0.570 18788 159 1 . 1 1 29 29 GLY H H 29 8.450 8.450 8.460 -0.010 18788 160 1 . 1 1 30 30 GLN N N 30 119.300 119.300 119.858 -0.558 18788 161 1 . 1 1 30 30 GLN HA H 30 5.030 5.030 4.897 0.133 18788 162 1 . 1 1 30 30 GLN C C 30 173.200 173.200 173.414 -0.214 18788 163 1 . 1 1 30 30 GLN CA C 30 52.200 52.200 52.083 0.117 18788 164 1 . 1 1 30 30 GLN CB C 30 31.200 31.200 29.349 1.852 18788 165 1 . 1 1 30 30 GLN H H 30 7.820 7.820 7.878 -0.058 18788 166 1 . 1 1 31 31 PRO HA H 31 4.880 4.880 4.869 0.011 18788 167 1 . 1 1 31 31 PRO C C 31 177.400 177.400 176.035 1.365 18788 168 1 . 1 1 31 31 PRO CA C 31 62.600 62.600 63.101 -0.501 18788 169 1 . 1 1 31 31 PRO CB C 31 31.900 31.900 31.922 -0.022 18788 170 1 . 1 1 32 32 MET N N 32 125.700 125.700 125.801 -0.101 18788 171 1 . 1 1 32 32 MET HA H 32 4.670 4.670 4.918 -0.248 18788 172 1 . 1 1 32 32 MET C C 32 174.600 174.600 174.333 0.267 18788 173 1 . 1 1 32 32 MET CA C 32 55.800 55.800 54.853 0.947 18788 174 1 . 1 1 32 32 MET CB C 32 37.200 37.200 37.365 -0.165 18788 175 1 . 1 1 32 32 MET H H 32 9.570 9.570 9.365 0.205 18788 176 1 . 1 1 33 33 THR N N 33 123.600 123.600 122.174 1.426 18788 177 1 . 1 1 33 33 THR HA H 33 4.510 4.510 5.073 -0.563 18788 178 1 . 1 1 33 33 THR C C 33 173.100 173.100 174.017 -0.917 18788 179 1 . 1 1 33 33 THR CA C 33 64.300 64.300 62.827 1.473 18788 180 1 . 1 1 33 33 THR CB C 33 68.800 68.800 69.384 -0.584 18788 181 1 . 1 1 33 33 THR H H 33 8.990 8.990 8.656 0.334 18788 182 1 . 1 1 34 34 PHE N N 34 126.100 126.100 126.370 -0.270 18788 183 1 . 1 1 34 34 PHE HA H 34 4.890 4.890 5.162 -0.272 18788 184 1 . 1 1 34 34 PHE C C 34 173.400 173.400 174.102 -0.702 18788 185 1 . 1 1 34 34 PHE CA C 34 57.300 57.300 56.939 0.361 18788 186 1 . 1 1 34 34 PHE CB C 34 41.900 41.900 42.454 -0.554 18788 187 1 . 1 1 34 34 PHE H H 34 9.610 9.610 9.564 0.046 18788 188 1 . 1 1 35 35 ARG N N 35 124.200 124.200 121.903 2.297 18788 189 1 . 1 1 35 35 ARG HA H 35 5.080 5.080 5.250 -0.170 18788 190 1 . 1 1 35 35 ARG C C 35 174.600 174.600 174.565 0.035 18788 191 1 . 1 1 35 35 ARG CA C 35 52.100 52.100 54.561 -2.461 18788 192 1 . 1 1 35 35 ARG CB C 35 33.600 33.600 34.586 -0.986 18788 193 1 . 1 1 35 35 ARG H H 35 9.640 9.640 8.898 0.742 18788 194 1 . 1 1 38 38 LEU HA H 38 4.330 4.330 4.328 0.002 18788 195 1 . 1 1 38 38 LEU C C 38 175.200 175.200 176.512 -1.312 18788 196 1 . 1 1 38 38 LEU CA C 38 56.600 56.600 55.723 0.877 18788 197 1 . 1 1 38 38 LEU CB C 38 40.100 40.100 41.827 -1.727 18788 198 1 . 1 1 39 39 VAL N N 39 104.500 104.500 111.946 -7.446 18788 199 1 . 1 1 39 39 VAL HA H 39 5.580 5.580 5.014 0.566 18788 200 1 . 1 1 39 39 VAL C C 39 175.600 175.600 174.370 1.230 18788 201 1 . 1 1 39 39 VAL CA C 39 57.800 57.800 58.921 -1.121 18788 202 1 . 1 1 39 39 VAL CB C 39 36.400 36.400 35.314 1.086 18788 203 1 . 1 1 39 39 VAL H H 39 6.920 6.920 7.362 -0.442 18788 204 1 . 1 1 40 40 ASP N N 40 121.500 121.500 122.924 -1.424 18788 205 1 . 1 1 40 40 ASP HA H 40 5.260 5.260 5.113 0.147 18788 206 1 . 1 1 40 40 ASP C C 40 174.600 174.600 175.508 -0.908 18788 207 1 . 1 1 40 40 ASP CA C 40 54.100 54.100 53.086 1.014 18788 208 1 . 1 1 40 40 ASP CB C 40 44.100 44.100 43.976 0.124 18788 209 1 . 1 1 40 40 ASP H H 40 8.880 8.880 9.034 -0.154 18788 210 1 . 1 1 41 41 THR N N 41 118.700 118.700 117.113 1.587 18788 211 1 . 1 1 41 41 THR HA H 41 5.020 5.020 4.907 0.113 18788 212 1 . 1 1 41 41 THR CA C 41 58.300 58.300 58.863 -0.563 18788 213 1 . 1 1 41 41 THR CB C 41 68.900 68.900 69.107 -0.207 18788 214 1 . 1 1 41 41 THR H H 41 8.520 8.520 8.826 -0.306 18788 215 1 . 1 1 42 42 PRO HA H 42 4.440 4.440 4.500 -0.060 18788 216 1 . 1 1 42 42 PRO CA C 42 62.200 62.200 62.797 -0.597 18788 217 1 . 1 1 42 42 PRO CB C 42 32.300 32.300 30.997 1.303 18788 218 1 . 1 1 50 50 GLY C C 50 179.800 179.800 174.092 5.708 18788 219 1 . 1 1 51 51 VAL N N 51 119.200 119.200 119.434 -0.234 18788 220 1 . 1 1 51 51 VAL HA H 51 4.160 4.160 4.165 -0.005 18788 221 1 . 1 1 51 51 VAL C C 51 178.600 178.600 175.477 3.123 18788 222 1 . 1 1 51 51 VAL CA C 51 63.500 63.500 62.428 1.072 18788 223 1 . 1 1 51 51 VAL H H 51 7.820 7.820 7.913 -0.093 18788 224 1 . 1 1 54 54 TYR C C 54 176.300 176.300 175.349 0.951 18788 225 1 . 1 1 55 55 GLY N N 55 108.900 108.900 110.309 -1.409 18788 226 1 . 1 1 55 55 GLY C C 55 174.300 174.300 172.275 2.025 18788 227 1 . 1 1 55 55 GLY CA C 55 48.400 48.400 43.900 4.500 18788 228 1 . 1 1 55 55 GLY H H 55 8.810 8.810 8.134 0.676 18788 229 1 . 1 1 57 57 GLU HA H 57 4.010 4.010 4.157 -0.147 18788 230 1 . 1 1 57 57 GLU C C 57 179.500 179.500 177.350 2.150 18788 231 1 . 1 1 57 57 GLU CA C 57 61.700 61.700 56.817 4.883 18788 232 1 . 1 1 58 58 ALA N N 58 125.000 125.000 123.311 1.689 18788 233 1 . 1 1 58 58 ALA HA H 58 4.170 4.170 4.053 0.117 18788 234 1 . 1 1 58 58 ALA C C 58 178.700 178.700 179.493 -0.793 18788 235 1 . 1 1 58 58 ALA CA C 58 55.800 55.800 55.429 0.371 18788 236 1 . 1 1 58 58 ALA CB C 58 18.200 18.200 18.251 -0.051 18788 237 1 . 1 1 58 58 ALA H H 58 8.940 8.940 8.356 0.584 18788 238 1 . 1 1 59 59 SER N N 59 111.900 111.900 114.920 -3.020 18788 239 1 . 1 1 59 59 SER HA H 59 3.740 3.740 4.256 -0.516 18788 240 1 . 1 1 59 59 SER C C 59 177.100 177.100 176.576 0.524 18788 241 1 . 1 1 59 59 SER CA C 59 62.000 62.000 61.401 0.599 18788 242 1 . 1 1 59 59 SER CB C 59 62.900 62.900 62.717 0.183 18788 243 1 . 1 1 59 59 SER H H 59 8.340 8.340 8.332 0.008 18788 244 1 . 1 1 60 60 ALA N N 60 122.900 122.900 124.031 -1.131 18788 245 1 . 1 1 60 60 ALA HA H 60 4.070 4.070 4.170 -0.100 18788 246 1 . 1 1 60 60 ALA C C 60 179.100 179.100 179.203 -0.103 18788 247 1 . 1 1 60 60 ALA CA C 60 55.100 55.100 54.636 0.464 18788 248 1 . 1 1 60 60 ALA CB C 60 18.200 18.200 18.322 -0.122 18788 249 1 . 1 1 60 60 ALA H H 60 8.440 8.440 7.925 0.515 18788 250 1 . 1 1 61 61 PHE N N 61 121.700 121.700 119.612 2.088 18788 251 1 . 1 1 61 61 PHE HA H 61 4.050 4.050 4.197 -0.147 18788 252 1 . 1 1 61 61 PHE C C 61 178.100 178.100 177.333 0.767 18788 253 1 . 1 1 61 61 PHE CA C 61 61.800 61.800 61.430 0.369 18788 254 1 . 1 1 61 61 PHE CB C 61 39.800 39.800 39.300 0.500 18788 255 1 . 1 1 61 61 PHE H H 61 8.190 8.190 8.559 -0.369 18788 256 1 . 1 1 62 62 THR N N 62 120.200 120.200 116.092 4.108 18788 257 1 . 1 1 62 62 THR HA H 62 3.560 3.560 3.788 -0.228 18788 258 1 . 1 1 62 62 THR C C 62 175.300 175.300 176.344 -1.044 18788 259 1 . 1 1 62 62 THR CA C 62 67.600 67.600 67.130 0.470 18788 260 1 . 1 1 62 62 THR CB C 62 68.400 68.400 68.471 -0.071 18788 261 1 . 1 1 62 62 THR H H 62 8.540 8.540 8.595 -0.055 18788 262 1 . 1 1 63 63 LYS N N 63 120.000 120.000 121.691 -1.690 18788 263 1 . 1 1 63 63 LYS HA H 63 3.560 3.560 3.871 -0.311 18788 264 1 . 1 1 63 63 LYS C C 63 176.800 176.800 178.547 -1.747 18788 265 1 . 1 1 63 63 LYS CA C 63 60.400 60.400 59.787 0.613 18788 266 1 . 1 1 63 63 LYS CB C 63 33.300 33.300 32.438 0.862 18788 267 1 . 1 1 63 63 LYS H H 63 7.910 7.910 7.897 0.013 18788 268 1 . 1 1 64 64 LYS N N 64 117.200 117.200 118.664 -1.464 18788 269 1 . 1 1 64 64 LYS HA H 64 3.940 3.940 4.013 -0.073 18788 270 1 . 1 1 64 64 LYS C C 64 178.700 178.700 179.266 -0.566 18788 271 1 . 1 1 64 64 LYS CA C 64 59.200 59.200 59.285 -0.085 18788 272 1 . 1 1 64 64 LYS CB C 64 31.900 31.900 32.303 -0.403 18788 273 1 . 1 1 64 64 LYS H H 64 8.000 8.000 8.093 -0.093 18788 274 1 . 1 1 65 65 MET N N 65 116.200 116.200 116.859 -0.659 18788 275 1 . 1 1 65 65 MET HA H 65 3.890 3.890 4.147 -0.257 18788 276 1 . 1 1 65 65 MET C C 65 179.200 179.200 178.316 0.884 18788 277 1 . 1 1 65 65 MET CA C 65 59.800 59.800 58.440 1.360 18788 278 1 . 1 1 65 65 MET CB C 65 32.200 32.200 32.470 -0.270 18788 279 1 . 1 1 65 65 MET H H 65 7.680 7.680 7.665 0.015 18788 280 1 . 1 1 66 66 VAL N N 66 107.700 107.700 114.284 -6.584 18788 281 1 . 1 1 66 66 VAL HA H 66 4.150 4.150 3.860 0.290 18788 282 1 . 1 1 66 66 VAL C C 66 177.500 177.500 177.671 -0.171 18788 283 1 . 1 1 66 66 VAL CA C 66 64.300 64.300 64.891 -0.591 18788 284 1 . 1 1 66 66 VAL CB C 66 31.100 31.100 31.474 -0.374 18788 285 1 . 1 1 66 66 VAL H H 66 8.220 8.220 7.853 0.367 18788 286 1 . 1 1 67 67 GLU N N 67 121.000 121.000 118.639 2.361 18788 287 1 . 1 1 67 67 GLU HA H 67 3.960 3.960 4.121 -0.161 18788 288 1 . 1 1 67 67 GLU C C 67 178.000 178.000 177.669 0.331 18788 289 1 . 1 1 67 67 GLU CA C 67 59.200 59.200 58.709 0.491 18788 290 1 . 1 1 67 67 GLU CB C 67 29.100 29.100 29.783 -0.683 18788 291 1 . 1 1 67 67 GLU H H 67 8.750 8.750 8.158 0.592 18788 292 1 . 1 1 68 68 ASN N N 68 113.400 113.400 115.654 -2.254 18788 293 1 . 1 1 68 68 ASN HA H 68 4.660 4.660 4.700 -0.040 18788 294 1 . 1 1 68 68 ASN C C 68 174.600 174.600 174.581 0.019 18788 295 1 . 1 1 68 68 ASN CA C 68 53.400 53.400 53.838 -0.438 18788 296 1 . 1 1 68 68 ASN CB C 68 38.900 38.900 39.297 -0.397 18788 297 1 . 1 1 68 68 ASN H H 68 7.400 7.400 7.775 -0.375 18788 298 1 . 1 1 69 69 ALA N N 69 121.100 121.100 122.263 -1.163 18788 299 1 . 1 1 69 69 ALA HA H 69 4.490 4.490 4.292 0.198 18788 300 1 . 1 1 69 69 ALA C C 69 177.800 177.800 177.329 0.471 18788 301 1 . 1 1 69 69 ALA CA C 69 51.400 51.400 52.233 -0.833 18788 302 1 . 1 1 69 69 ALA CB C 69 19.200 19.200 19.382 -0.182 18788 303 1 . 1 1 69 69 ALA H H 69 6.680 6.680 7.170 -0.490 18788 304 1 . 1 1 70 70 LYS N N 70 125.700 125.700 122.233 3.467 18788 305 1 . 1 1 70 70 LYS HA H 70 4.370 4.370 4.226 0.144 18788 306 1 . 1 1 70 70 LYS C C 70 177.800 177.800 177.142 0.658 18788 307 1 . 1 1 70 70 LYS CA C 70 57.800 57.800 57.234 0.566 18788 308 1 . 1 1 70 70 LYS CB C 70 32.000 32.000 33.037 -1.037 18788 309 1 . 1 1 70 70 LYS H H 70 10.130 10.130 8.764 1.366 18788 310 1 . 1 1 71 71 LYS N N 71 121.300 121.300 118.178 3.122 18788 311 1 . 1 1 71 71 LYS HA H 71 4.660 4.660 4.549 0.111 18788 312 1 . 1 1 71 71 LYS C C 71 174.600 174.600 174.708 -0.108 18788 313 1 . 1 1 71 71 LYS CA C 71 55.500 55.500 55.459 0.041 18788 314 1 . 1 1 71 71 LYS CB C 71 35.400 35.400 33.788 1.612 18788 315 1 . 1 1 71 71 LYS H H 71 8.920 8.920 7.530 1.390 18788 316 1 . 1 1 72 72 ILE N N 72 128.900 128.900 126.224 2.676 18788 317 1 . 1 1 72 72 ILE HA H 72 5.240 5.240 5.031 0.209 18788 318 1 . 1 1 72 72 ILE C C 72 175.300 175.300 175.030 0.270 18788 319 1 . 1 1 72 72 ILE CA C 72 58.700 58.700 60.381 -1.681 18788 320 1 . 1 1 72 72 ILE CB C 72 38.100 38.100 39.480 -1.380 18788 321 1 . 1 1 72 72 ILE H H 72 8.960 8.960 8.535 0.425 18788 322 1 . 1 1 73 73 GLU N N 73 123.100 123.100 126.845 -3.745 18788 323 1 . 1 1 73 73 GLU HA H 73 5.240 5.240 5.303 -0.063 18788 324 1 . 1 1 73 73 GLU C C 73 174.900 174.900 175.496 -0.596 18788 325 1 . 1 1 73 73 GLU CA C 73 53.600 53.600 54.359 -0.759 18788 326 1 . 1 1 73 73 GLU CB C 73 36.200 36.200 33.580 2.620 18788 327 1 . 1 1 73 73 GLU H H 73 8.810 8.810 9.072 -0.262 18788 328 1 . 1 1 74 74 VAL N N 74 117.300 117.300 118.551 -1.251 18788 329 1 . 1 1 74 74 VAL HA H 74 4.550 4.550 4.766 -0.216 18788 330 1 . 1 1 74 74 VAL C C 74 174.000 174.000 174.301 -0.301 18788 331 1 . 1 1 74 74 VAL CA C 74 59.500 59.500 59.639 -0.139 18788 332 1 . 1 1 74 74 VAL CB C 74 34.200 34.200 32.956 1.245 18788 333 1 . 1 1 74 74 VAL H H 74 9.510 9.510 9.070 0.440 18788 334 1 . 1 1 75 75 GLU N N 75 126.900 126.900 128.055 -1.155 18788 335 1 . 1 1 75 75 GLU HA H 75 5.160 5.160 5.120 0.040 18788 336 1 . 1 1 75 75 GLU C C 75 175.600 175.600 175.626 -0.026 18788 337 1 . 1 1 75 75 GLU CA C 75 54.500 54.500 53.899 0.601 18788 338 1 . 1 1 75 75 GLU CB C 75 35.900 35.900 32.281 3.619 18788 339 1 . 1 1 75 75 GLU H H 75 8.860 8.860 9.099 -0.239 18788 340 1 . 1 1 76 76 PHE N N 76 126.400 126.400 127.376 -0.976 18788 341 1 . 1 1 76 76 PHE HA H 76 4.740 4.740 5.012 -0.273 18788 342 1 . 1 1 76 76 PHE C C 76 175.600 175.600 175.989 -0.389 18788 343 1 . 1 1 76 76 PHE CA C 76 59.500 59.500 58.860 0.640 18788 344 1 . 1 1 76 76 PHE CB C 76 39.700 39.700 39.858 -0.158 18788 345 1 . 1 1 76 76 PHE H H 76 8.770 8.770 8.520 0.250 18788 346 1 . 1 1 77 77 ASP N N 77 123.000 123.000 123.207 -0.207 18788 347 1 . 1 1 77 77 ASP HA H 77 5.310 5.310 4.946 0.364 18788 348 1 . 1 1 77 77 ASP C C 77 177.600 177.600 176.864 0.736 18788 349 1 . 1 1 77 77 ASP CA C 77 51.800 51.800 54.022 -2.221 18788 350 1 . 1 1 77 77 ASP CB C 77 42.900 42.900 43.588 -0.688 18788 351 1 . 1 1 77 77 ASP H H 77 9.310 9.310 8.639 0.671 18788 352 1 . 1 1 78 78 LYS N N 78 119.100 119.100 118.915 0.185 18788 353 1 . 1 1 78 78 LYS HA H 78 4.240 4.240 4.413 -0.173 18788 354 1 . 1 1 78 78 LYS C C 78 177.100 177.100 176.863 0.237 18788 355 1 . 1 1 78 78 LYS CA C 78 57.700 57.700 57.404 0.296 18788 356 1 . 1 1 78 78 LYS CB C 78 33.400 33.400 32.372 1.028 18788 357 1 . 1 1 78 78 LYS H H 78 10.360 10.360 8.633 1.727 18788 358 1 . 1 1 79 79 GLY N N 79 111.100 111.100 108.686 2.414 18788 359 1 . 1 1 79 79 GLY C C 79 173.600 173.600 174.028 -0.428 18788 360 1 . 1 1 79 79 GLY CA C 79 44.500 44.500 44.584 -0.084 18788 361 1 . 1 1 79 79 GLY H H 79 8.680 8.680 7.831 0.849 18788 362 1 . 1 1 80 80 GLN N N 80 124.800 124.800 120.211 4.589 18788 363 1 . 1 1 80 80 GLN HA H 80 4.140 4.140 4.458 -0.318 18788 364 1 . 1 1 80 80 GLN C C 80 176.900 176.900 175.658 1.242 18788 365 1 . 1 1 80 80 GLN CA C 80 57.200 57.200 55.827 1.373 18788 366 1 . 1 1 80 80 GLN CB C 80 29.200 29.200 30.239 -1.039 18788 367 1 . 1 1 80 80 GLN H H 80 8.800 8.800 8.593 0.207 18788 368 1 . 1 1 81 81 ARG N N 81 120.700 120.700 120.642 0.058 18788 369 1 . 1 1 81 81 ARG HA H 81 4.620 4.620 4.369 0.251 18788 370 1 . 1 1 81 81 ARG C C 81 176.200 176.200 175.274 0.926 18788 371 1 . 1 1 81 81 ARG CA C 81 57.500 57.500 57.753 -0.253 18788 372 1 . 1 1 81 81 ARG CB C 81 32.000 32.000 31.277 0.723 18788 373 1 . 1 1 81 81 ARG H H 81 8.640 8.640 8.642 -0.002 18788 374 1 . 1 1 82 82 THR N N 82 107.900 107.900 108.137 -0.237 18788 375 1 . 1 1 82 82 THR HA H 82 5.540 5.540 4.895 0.645 18788 376 1 . 1 1 82 82 THR C C 82 174.600 174.600 173.608 0.992 18788 377 1 . 1 1 82 82 THR CA C 82 58.400 58.400 59.712 -1.312 18788 378 1 . 1 1 82 82 THR CB C 82 72.500 72.500 71.836 0.664 18788 379 1 . 1 1 82 82 THR H H 82 7.300 7.300 7.393 -0.093 18788 380 1 . 1 1 83 83 ASP N N 83 121.300 121.300 121.816 -0.516 18788 381 1 . 1 1 83 83 ASP HA H 83 4.660 4.660 4.587 0.073 18788 382 1 . 1 1 83 83 ASP C C 83 179.000 179.000 177.969 1.031 18788 383 1 . 1 1 83 83 ASP CA C 83 51.700 51.700 53.365 -1.664 18788 384 1 . 1 1 83 83 ASP CB C 83 42.100 42.100 42.811 -0.711 18788 385 1 . 1 1 83 83 ASP H H 83 8.590 8.590 8.886 -0.296 18788 386 1 . 1 1 85 85 TYR N N 85 119.300 119.300 117.517 1.783 18788 387 1 . 1 1 85 85 TYR HA H 85 4.600 4.600 4.466 0.134 18788 388 1 . 1 1 85 85 TYR C C 85 176.100 176.100 175.852 0.248 18788 389 1 . 1 1 85 85 TYR CA C 85 57.100 57.100 58.053 -0.954 18788 390 1 . 1 1 85 85 TYR CB C 85 37.900 37.900 38.427 -0.527 18788 391 1 . 1 1 85 85 TYR H H 85 7.650 7.650 8.310 -0.661 18788 392 1 . 1 1 86 86 GLY N N 86 108.500 108.500 106.983 1.517 18788 393 1 . 1 1 86 86 GLY C C 86 174.400 174.400 173.942 0.458 18788 394 1 . 1 1 86 86 GLY CA C 86 45.400 45.400 44.990 0.410 18788 395 1 . 1 1 86 86 GLY H H 86 8.120 8.120 7.949 0.171 18788 396 1 . 1 1 87 87 ARG N N 87 121.600 121.600 120.459 1.141 18788 397 1 . 1 1 87 87 ARG HA H 87 4.430 4.430 4.654 -0.224 18788 398 1 . 1 1 87 87 ARG C C 87 177.000 177.000 176.587 0.413 18788 399 1 . 1 1 87 87 ARG CA C 87 55.300 55.300 54.713 0.587 18788 400 1 . 1 1 87 87 ARG CB C 87 30.000 30.000 30.950 -0.950 18788 401 1 . 1 1 87 87 ARG H H 87 8.600 8.600 7.624 0.976 18788 402 1 . 1 1 88 88 GLY N N 88 108.000 108.000 109.706 -1.706 18788 403 1 . 1 1 88 88 GLY C C 88 171.800 171.800 172.747 -0.947 18788 404 1 . 1 1 88 88 GLY CA C 88 44.800 44.800 44.328 0.472 18788 405 1 . 1 1 88 88 GLY H H 88 8.780 8.780 8.484 0.296 18788 406 1 . 1 1 89 89 LEU N N 89 125.100 125.100 126.368 -1.268 18788 407 1 . 1 1 89 89 LEU HA H 89 5.190 5.190 4.988 0.202 18788 408 1 . 1 1 89 89 LEU C C 89 174.800 174.800 175.498 -0.698 18788 409 1 . 1 1 89 89 LEU CA C 89 52.800 52.800 53.877 -1.077 18788 410 1 . 1 1 89 89 LEU CB C 89 42.900 42.900 41.611 1.289 18788 411 1 . 1 1 89 89 LEU H H 89 8.220 8.220 8.603 -0.383 18788 412 1 . 1 1 90 90 ALA N N 90 119.900 119.900 124.659 -4.759 18788 413 1 . 1 1 90 90 ALA HA H 90 4.790 4.790 4.700 0.090 18788 414 1 . 1 1 90 90 ALA C C 90 177.000 177.000 175.668 1.332 18788 415 1 . 1 1 90 90 ALA CA C 90 50.800 50.800 50.460 0.340 18788 416 1 . 1 1 90 90 ALA CB C 90 23.700 23.700 22.233 1.467 18788 417 1 . 1 1 90 90 ALA H H 90 7.400 7.400 7.803 -0.403 18788 418 1 . 1 1 91 91 TYR N N 91 122.400 122.400 119.704 2.696 18788 419 1 . 1 1 91 91 TYR HA H 91 4.650 4.650 4.562 0.088 18788 420 1 . 1 1 91 91 TYR C C 91 174.600 174.600 175.353 -0.753 18788 421 1 . 1 1 91 91 TYR CA C 91 57.200 57.200 57.931 -0.731 18788 422 1 . 1 1 91 91 TYR CB C 91 37.600 37.600 39.056 -1.456 18788 423 1 . 1 1 91 91 TYR H H 91 9.000 9.000 8.868 0.132 18788 424 1 . 1 1 92 92 ILE N N 92 122.200 122.200 124.196 -1.996 18788 425 1 . 1 1 92 92 ILE HA H 92 4.950 4.950 4.662 0.288 18788 426 1 . 1 1 92 92 ILE C C 92 173.700 173.700 175.168 -1.468 18788 427 1 . 1 1 92 92 ILE CA C 92 58.700 58.700 60.499 -1.799 18788 428 1 . 1 1 92 92 ILE CB C 92 38.900 38.900 39.316 -0.416 18788 429 1 . 1 1 92 92 ILE H H 92 7.830 7.830 8.963 -1.133 18788 430 1 . 1 1 93 93 TYR N N 93 126.200 126.200 126.994 -0.794 18788 431 1 . 1 1 93 93 TYR HA H 93 5.080 5.080 5.118 -0.038 18788 432 1 . 1 1 93 93 TYR C C 93 173.900 173.900 174.589 -0.689 18788 433 1 . 1 1 93 93 TYR CA C 93 56.500 56.500 56.039 0.461 18788 434 1 . 1 1 93 93 TYR CB C 93 41.500 41.500 40.400 1.100 18788 435 1 . 1 1 93 93 TYR H H 93 9.540 9.540 9.364 0.176 18788 436 1 . 1 1 94 94 ALA N N 94 125.700 125.700 126.488 -0.788 18788 437 1 . 1 1 94 94 ALA HA H 94 4.960 4.960 4.625 0.335 18788 438 1 . 1 1 94 94 ALA C C 94 175.700 175.700 176.985 -1.285 18788 439 1 . 1 1 94 94 ALA CA C 94 49.700 49.700 50.368 -0.668 18788 440 1 . 1 1 94 94 ALA CB C 94 20.900 20.900 19.457 1.443 18788 441 1 . 1 1 94 94 ALA H H 94 9.230 9.230 9.171 0.059 18788 442 1 . 1 1 95 95 ASP N N 95 127.600 127.600 124.907 2.693 18788 443 1 . 1 1 95 95 ASP HA H 95 4.430 4.430 4.285 0.145 18788 444 1 . 1 1 95 95 ASP C C 95 176.100 176.100 176.306 -0.206 18788 445 1 . 1 1 95 95 ASP CA C 95 56.500 56.500 55.408 1.092 18788 446 1 . 1 1 95 95 ASP CB C 95 39.500 39.500 40.086 -0.586 18788 447 1 . 1 1 95 95 ASP H H 95 9.720 9.720 9.206 0.514 18788 448 1 . 1 1 96 96 GLY N N 96 103.000 103.000 103.242 -0.242 18788 449 1 . 1 1 96 96 GLY C C 96 173.800 173.800 174.286 -0.486 18788 450 1 . 1 1 96 96 GLY CA C 96 45.400 45.400 45.192 0.208 18788 451 1 . 1 1 96 96 GLY H H 96 9.420 9.420 8.471 0.949 18788 452 1 . 1 1 97 97 LYS N N 97 121.400 121.400 122.712 -1.312 18788 453 1 . 1 1 97 97 LYS HA H 97 4.670 4.670 4.571 0.099 18788 454 1 . 1 1 97 97 LYS C C 97 176.000 176.000 175.728 0.272 18788 455 1 . 1 1 97 97 LYS CA C 97 54.200 54.200 54.897 -0.697 18788 456 1 . 1 1 97 97 LYS CB C 97 33.100 33.100 33.278 -0.178 18788 457 1 . 1 1 97 97 LYS H H 97 7.870 7.870 7.999 -0.129 18788 458 1 . 1 1 98 98 MET N N 98 127.000 127.000 125.875 1.125 18788 459 1 . 1 1 98 98 MET HA H 98 3.780 3.780 4.071 -0.291 18788 460 1 . 1 1 98 98 MET C C 98 177.700 177.700 176.843 0.857 18788 461 1 . 1 1 98 98 MET CA C 98 56.100 56.100 55.807 0.293 18788 462 1 . 1 1 98 98 MET CB C 98 34.700 34.700 31.836 2.864 18788 463 1 . 1 1 98 98 MET H H 98 9.280 9.280 8.993 0.287 18788 464 1 . 1 1 99 99 VAL N N 99 103.700 103.700 127.300 -23.600 18788 465 1 . 1 1 99 99 VAL HA H 99 3.730 3.730 3.558 0.172 18788 466 1 . 1 1 99 99 VAL C C 99 177.200 177.200 177.645 -0.445 18788 467 1 . 1 1 99 99 VAL CA C 99 66.100 66.100 66.409 -0.309 18788 468 1 . 1 1 99 99 VAL CB C 99 32.400 32.400 31.315 1.085 18788 469 1 . 1 1 99 99 VAL H H 99 10.190 10.190 8.796 1.394 18788 470 1 . 1 1 100 100 ASN N N 100 108.600 108.600 117.321 -8.721 18788 471 1 . 1 1 100 100 ASN HA H 100 4.080 4.080 4.279 -0.199 18788 472 1 . 1 1 100 100 ASN C C 100 174.200 174.200 177.133 -2.933 18788 473 1 . 1 1 100 100 ASN CA C 100 57.200 57.200 56.932 0.268 18788 474 1 . 1 1 100 100 ASN CB C 100 34.700 34.700 37.786 -3.085 18788 475 1 . 1 1 100 100 ASN H H 100 9.670 9.670 7.924 1.746 18788 476 1 . 1 1 101 101 GLU N N 101 112.800 112.800 120.785 -7.985 18788 477 1 . 1 1 101 101 GLU HA H 101 3.660 3.660 3.983 -0.323 18788 478 1 . 1 1 101 101 GLU C C 101 176.100 176.100 178.082 -1.982 18788 479 1 . 1 1 101 101 GLU CA C 101 59.800 59.800 59.408 0.392 18788 480 1 . 1 1 101 101 GLU CB C 101 30.200 30.200 29.501 0.699 18788 481 1 . 1 1 101 101 GLU H H 101 6.150 6.150 7.778 -1.628 18788 482 1 . 1 1 102 102 ALA N N 102 122.600 122.600 122.847 -0.247 18788 483 1 . 1 1 102 102 ALA HA H 102 4.070 4.070 4.113 -0.043 18788 484 1 . 1 1 102 102 ALA C C 102 179.800 179.800 180.116 -0.316 18788 485 1 . 1 1 102 102 ALA CA C 102 55.300 55.300 55.274 0.026 18788 486 1 . 1 1 102 102 ALA CB C 102 17.900 17.900 18.306 -0.406 18788 487 1 . 1 1 102 102 ALA H H 102 7.810 7.810 7.923 -0.113 18788 488 1 . 1 1 103 103 LEU N N 103 116.100 116.100 118.690 -2.590 18788 489 1 . 1 1 103 103 LEU HA H 103 3.280 3.280 3.867 -0.587 18788 490 1 . 1 1 103 103 LEU C C 103 178.900 178.900 179.045 -0.145 18788 491 1 . 1 1 103 103 LEU CA C 103 57.800 57.800 58.036 -0.236 18788 492 1 . 1 1 103 103 LEU CB C 103 45.500 45.500 41.601 3.899 18788 493 1 . 1 1 103 103 LEU H H 103 8.070 8.070 8.493 -0.423 18788 494 1 . 1 1 104 104 VAL N N 104 116.600 116.600 118.969 -2.369 18788 495 1 . 1 1 104 104 VAL HA H 104 3.870 3.870 4.030 -0.160 18788 496 1 . 1 1 104 104 VAL C C 104 180.300 180.300 179.295 1.005 18788 497 1 . 1 1 104 104 VAL CA C 104 65.000 65.000 65.863 -0.863 18788 498 1 . 1 1 104 104 VAL CB C 104 32.000 32.000 31.582 0.418 18788 499 1 . 1 1 104 104 VAL H H 104 6.890 6.890 7.702 -0.812 18788 500 1 . 1 1 105 105 ARG N N 105 122.400 122.400 119.525 2.875 18788 501 1 . 1 1 105 105 ARG HA H 105 4.130 4.130 4.271 -0.141 18788 502 1 . 1 1 105 105 ARG C C 105 176.000 176.000 177.944 -1.944 18788 503 1 . 1 1 105 105 ARG CA C 105 57.000 57.000 58.533 -1.533 18788 504 1 . 1 1 105 105 ARG CB C 105 28.300 28.300 30.053 -1.753 18788 505 1 . 1 1 105 105 ARG H H 105 9.140 9.140 8.501 0.639 18788 506 1 . 1 1 106 106 GLN N N 106 112.000 112.000 116.462 -4.462 18788 507 1 . 1 1 106 106 GLN HA H 106 4.320 4.320 4.262 0.058 18788 508 1 . 1 1 106 106 GLN C C 106 175.600 175.600 175.633 -0.033 18788 509 1 . 1 1 106 106 GLN CA C 106 53.800 53.800 54.833 -1.033 18788 510 1 . 1 1 106 106 GLN CB C 106 28.300 28.300 29.111 -0.811 18788 511 1 . 1 1 106 106 GLN H H 106 7.120 7.120 7.951 -0.831 18788 512 1 . 1 1 107 107 GLY N N 107 107.100 107.100 106.656 0.444 18788 513 1 . 1 1 107 107 GLY C C 107 172.400 172.400 174.242 -1.842 18788 514 1 . 1 1 107 107 GLY CA C 107 46.300 46.300 46.120 0.180 18788 515 1 . 1 1 107 107 GLY H H 107 8.080 8.080 7.789 0.291 18788 516 1 . 1 1 108 108 LEU N N 108 115.100 115.100 118.115 -3.015 18788 517 1 . 1 1 108 108 LEU HA H 108 4.300 4.300 4.528 -0.228 18788 518 1 . 1 1 108 108 LEU C C 108 172.500 172.500 175.087 -2.587 18788 519 1 . 1 1 108 108 LEU CA C 108 53.300 53.300 54.336 -1.036 18788 520 1 . 1 1 108 108 LEU CB C 108 43.500 43.500 43.047 0.453 18788 521 1 . 1 1 108 108 LEU H H 108 7.810 7.810 8.608 -0.798 18788 522 1 . 1 1 109 109 ALA N N 109 112.900 112.900 119.137 -6.237 18788 523 1 . 1 1 109 109 ALA HA H 109 4.500 4.500 4.712 -0.212 18788 524 1 . 1 1 109 109 ALA C C 109 174.800 174.800 175.681 -0.881 18788 525 1 . 1 1 109 109 ALA CA C 109 49.900 49.900 50.649 -0.749 18788 526 1 . 1 1 109 109 ALA CB C 109 24.900 24.900 21.879 3.022 18788 527 1 . 1 1 109 109 ALA H H 109 6.950 6.950 7.435 -0.485 18788 528 1 . 1 1 110 110 LYS N N 110 117.700 117.700 120.135 -2.435 18788 529 1 . 1 1 110 110 LYS HA H 110 5.120 5.120 4.947 0.173 18788 530 1 . 1 1 110 110 LYS C C 110 175.800 175.800 175.681 0.119 18788 531 1 . 1 1 110 110 LYS CA C 110 53.800 53.800 54.624 -0.824 18788 532 1 . 1 1 110 110 LYS CB C 110 35.300 35.300 35.900 -0.600 18788 533 1 . 1 1 110 110 LYS H H 110 7.890 7.890 8.558 -0.668 18788 534 1 . 1 1 111 111 VAL N N 111 123.100 123.100 121.830 1.270 18788 535 1 . 1 1 111 111 VAL HA H 111 4.630 4.630 4.351 0.279 18788 536 1 . 1 1 111 111 VAL C C 111 176.500 176.500 175.385 1.115 18788 537 1 . 1 1 111 111 VAL CA C 111 63.100 63.100 62.540 0.560 18788 538 1 . 1 1 111 111 VAL CB C 111 30.600 30.600 32.015 -1.415 18788 539 1 . 1 1 111 111 VAL H H 111 9.180 9.180 9.192 -0.012 18788 540 1 . 1 1 112 112 ALA N N 112 131.500 131.500 129.930 1.570 18788 541 1 . 1 1 112 112 ALA HA H 112 4.150 4.150 4.551 -0.401 18788 542 1 . 1 1 112 112 ALA C C 112 173.300 173.300 175.936 -2.636 18788 543 1 . 1 1 112 112 ALA CA C 112 51.300 51.300 50.393 0.907 18788 544 1 . 1 1 112 112 ALA CB C 112 23.900 23.900 21.282 2.618 18788 545 1 . 1 1 112 112 ALA H H 112 8.000 8.000 8.468 -0.468 18788 546 1 . 1 1 114 114 VAL N N 114 123.100 123.100 125.087 -1.987 18788 547 1 . 1 1 114 114 VAL HA H 114 3.550 3.550 3.956 -0.406 18788 548 1 . 1 1 114 114 VAL C C 114 174.600 174.600 175.618 -1.018 18788 549 1 . 1 1 114 114 VAL CA C 114 62.000 62.000 62.671 -0.671 18788 550 1 . 1 1 114 114 VAL CB C 114 30.300 30.300 31.957 -1.657 18788 551 1 . 1 1 114 114 VAL H H 114 7.480 7.480 8.161 -0.681 18788 552 1 . 1 1 115 115 TYR N N 115 130.100 130.100 129.193 0.907 18788 553 1 . 1 1 115 115 TYR HA H 115 4.940 4.940 4.662 0.278 18788 554 1 . 1 1 115 115 TYR C C 115 175.700 175.700 174.590 1.110 18788 555 1 . 1 1 115 115 TYR CA C 115 54.900 54.900 56.544 -1.644 18788 556 1 . 1 1 115 115 TYR CB C 115 38.200 38.200 39.044 -0.844 18788 557 1 . 1 1 115 115 TYR H H 115 8.970 8.970 8.678 0.292 18788 558 1 . 1 1 116 116 LYS N N 116 125.400 125.400 126.883 -1.483 18788 559 1 . 1 1 116 116 LYS HA H 116 3.940 3.940 4.482 -0.542 18788 560 1 . 1 1 116 116 LYS C C 116 175.100 175.100 175.552 -0.452 18788 561 1 . 1 1 116 116 LYS CA C 116 56.400 56.400 55.065 1.335 18788 562 1 . 1 1 116 116 LYS CB C 116 31.600 31.600 32.126 -0.526 18788 563 1 . 1 1 116 116 LYS H H 116 8.770 8.770 8.361 0.409 18788 564 1 . 1 1 117 117 PRO HA H 117 4.620 4.620 4.579 0.041 18788 565 1 . 1 1 117 117 PRO C C 117 175.600 175.600 176.023 -0.423 18788 566 1 . 1 1 117 117 PRO CA C 117 64.100 64.100 62.982 1.118 18788 567 1 . 1 1 117 117 PRO CB C 117 32.600 32.600 31.981 0.619 18788 568 1 . 1 1 118 118 ASN N N 118 128.800 128.800 120.866 7.934 18788 569 1 . 1 1 118 118 ASN HA H 118 5.310 5.310 4.959 0.351 18788 570 1 . 1 1 118 118 ASN C C 118 174.500 174.500 174.112 0.388 18788 571 1 . 1 1 118 118 ASN CA C 118 51.600 51.600 53.552 -1.952 18788 572 1 . 1 1 118 118 ASN CB C 118 36.200 36.200 37.389 -1.189 18788 573 1 . 1 1 118 118 ASN H H 118 8.710 8.710 7.961 0.749 18788 574 1 . 1 1 119 119 ASN N N 119 117.600 117.600 117.960 -0.360 18788 575 1 . 1 1 119 119 ASN HA H 119 5.020 5.020 4.988 0.032 18788 576 1 . 1 1 119 119 ASN C C 119 177.500 177.500 175.663 1.837 18788 577 1 . 1 1 119 119 ASN CA C 119 51.900 51.900 53.224 -1.324 18788 578 1 . 1 1 119 119 ASN CB C 119 39.100 39.100 39.720 -0.620 18788 579 1 . 1 1 119 119 ASN H H 119 8.120 8.120 8.376 -0.256 18788 580 1 . 1 1 120 120 THR N N 120 124.400 124.400 118.316 6.084 18788 581 1 . 1 1 120 120 THR HA H 120 3.850 3.850 4.210 -0.360 18788 582 1 . 1 1 120 120 THR C C 120 176.400 176.400 175.114 1.286 18788 583 1 . 1 1 120 120 THR CA C 120 69.100 69.100 65.572 3.528 18788 584 1 . 1 1 120 120 THR CB C 120 66.800 66.800 69.035 -2.235 18788 585 1 . 1 1 120 120 THR H H 120 10.730 10.730 9.006 1.724 18788 586 1 . 1 1 121 121 HIS N N 121 113.400 113.400 117.922 -4.522 18788 587 1 . 1 1 121 121 HIS HA H 121 5.420 5.420 4.850 0.570 18788 588 1 . 1 1 121 121 HIS C C 121 174.800 174.800 175.303 -0.503 18788 589 1 . 1 1 121 121 HIS CA C 121 53.900 53.900 55.206 -1.306 18788 590 1 . 1 1 121 121 HIS CB C 121 29.400 29.400 30.071 -0.671 18788 591 1 . 1 1 121 121 HIS H H 121 6.860 6.860 7.862 -1.003 18788 592 1 . 1 1 122 122 GLU N N 122 120.200 120.200 121.489 -1.289 18788 593 1 . 1 1 122 122 GLU HA H 122 3.700 3.700 3.993 -0.293 18788 594 1 . 1 1 122 122 GLU C C 122 177.200 177.200 178.117 -0.917 18788 595 1 . 1 1 122 122 GLU CA C 122 61.200 61.200 60.328 0.872 18788 596 1 . 1 1 122 122 GLU CB C 122 29.900 29.900 29.256 0.645 18788 597 1 . 1 1 122 122 GLU H H 122 7.540 7.540 8.143 -0.603 18788 598 1 . 1 1 123 123 GLN N N 123 117.200 117.200 118.004 -0.803 18788 599 1 . 1 1 123 123 GLN HA H 123 3.970 3.970 4.095 -0.125 18788 600 1 . 1 1 123 123 GLN C C 123 178.600 178.600 178.323 0.277 18788 601 1 . 1 1 123 123 GLN CA C 123 59.500 59.500 58.391 1.109 18788 602 1 . 1 1 123 123 GLN CB C 123 27.100 27.100 27.854 -0.754 18788 603 1 . 1 1 123 123 GLN H H 123 8.920 8.920 8.451 0.469 18788 604 1 . 1 1 124 124 LEU N N 124 122.000 122.000 121.454 0.546 18788 605 1 . 1 1 124 124 LEU HA H 124 4.090 4.090 4.111 -0.021 18788 606 1 . 1 1 124 124 LEU C C 124 179.100 179.100 178.512 0.588 18788 607 1 . 1 1 124 124 LEU CA C 124 58.600 58.600 57.604 0.996 18788 608 1 . 1 1 124 124 LEU CB C 124 42.000 42.000 41.330 0.670 18788 609 1 . 1 1 124 124 LEU H H 124 7.940 7.940 7.752 0.188 18788 610 1 . 1 1 125 125 LEU N N 125 118.900 118.900 118.791 0.108 18788 611 1 . 1 1 125 125 LEU HA H 125 4.000 4.000 3.966 0.034 18788 612 1 . 1 1 125 125 LEU C C 125 179.200 179.200 179.183 0.017 18788 613 1 . 1 1 125 125 LEU CA C 125 58.900 58.900 57.949 0.951 18788 614 1 . 1 1 125 125 LEU CB C 125 41.100 41.100 41.375 -0.275 18788 615 1 . 1 1 125 125 LEU H H 125 8.030 8.030 8.010 0.020 18788 616 1 . 1 1 126 126 ARG N N 126 118.800 118.800 119.392 -0.592 18788 617 1 . 1 1 126 126 ARG HA H 126 4.030 4.030 3.926 0.104 18788 618 1 . 1 1 126 126 ARG C C 126 179.700 179.700 178.490 1.210 18788 619 1 . 1 1 126 126 ARG CA C 126 60.600 60.600 60.023 0.577 18788 620 1 . 1 1 126 126 ARG CB C 126 29.100 29.100 30.012 -0.912 18788 621 1 . 1 1 126 126 ARG H H 126 9.010 9.010 8.442 0.568 18788 622 1 . 1 1 127 127 LYS N N 127 122.700 122.700 119.642 3.058 18788 623 1 . 1 1 127 127 LYS HA H 127 4.150 4.150 4.051 0.099 18788 624 1 . 1 1 127 127 LYS C C 127 179.800 179.800 178.970 0.830 18788 625 1 . 1 1 127 127 LYS CA C 127 60.100 60.100 59.266 0.834 18788 626 1 . 1 1 127 127 LYS CB C 127 31.700 31.700 31.796 -0.096 18788 627 1 . 1 1 127 127 LYS H H 127 8.160 8.160 8.018 0.142 18788 628 1 . 1 1 128 128 SER N N 128 118.300 118.300 116.491 1.809 18788 629 1 . 1 1 128 128 SER HA H 128 4.320 4.320 4.141 0.179 18788 630 1 . 1 1 128 128 SER C C 128 175.500 175.500 176.218 -0.718 18788 631 1 . 1 1 128 128 SER CA C 128 63.600 63.600 62.579 1.021 18788 632 1 . 1 1 128 128 SER CB C 128 62.600 62.600 62.961 -0.361 18788 633 1 . 1 1 128 128 SER H H 128 7.830 7.830 7.841 -0.011 18788 634 1 . 1 1 129 129 GLU N N 129 125.200 125.200 123.115 2.085 18788 635 1 . 1 1 129 129 GLU HA H 129 3.900 3.900 4.053 -0.153 18788 636 1 . 1 1 129 129 GLU C C 129 177.400 177.400 178.191 -0.791 18788 637 1 . 1 1 129 129 GLU CA C 129 59.200 59.200 59.233 -0.033 18788 638 1 . 1 1 129 129 GLU CB C 129 30.900 30.900 29.755 1.145 18788 639 1 . 1 1 129 129 GLU H H 129 8.580 8.580 8.181 0.399 18788 640 1 . 1 1 130 130 ALA N N 130 119.500 119.500 121.666 -2.166 18788 641 1 . 1 1 130 130 ALA HA H 130 3.850 3.850 3.824 0.026 18788 642 1 . 1 1 130 130 ALA C C 130 181.000 181.000 179.747 1.253 18788 643 1 . 1 1 130 130 ALA CA C 130 55.000 55.000 55.123 -0.123 18788 644 1 . 1 1 130 130 ALA CB C 130 17.600 17.600 17.872 -0.272 18788 645 1 . 1 1 130 130 ALA H H 130 7.950 7.950 8.038 -0.088 18788 646 1 . 1 1 131 131 GLN N N 131 118.600 118.600 118.819 -0.219 18788 647 1 . 1 1 131 131 GLN HA H 131 3.990 3.990 3.976 0.014 18788 648 1 . 1 1 131 131 GLN C C 131 177.200 177.200 178.146 -0.946 18788 649 1 . 1 1 131 131 GLN CA C 131 58.800 58.800 58.610 0.190 18788 650 1 . 1 1 131 131 GLN CB C 131 28.000 28.000 28.516 -0.516 18788 651 1 . 1 1 131 131 GLN H H 131 7.520 7.520 7.873 -0.353 18788 652 1 . 1 1 132 132 ALA N N 132 123.100 123.100 121.993 1.107 18788 653 1 . 1 1 132 132 ALA HA H 132 3.930 3.930 4.048 -0.118 18788 654 1 . 1 1 132 132 ALA C C 132 179.500 179.500 179.484 0.016 18788 655 1 . 1 1 132 132 ALA CA C 132 55.600 55.600 55.074 0.526 18788 656 1 . 1 1 132 132 ALA CB C 132 18.400 18.400 18.507 -0.107 18788 657 1 . 1 1 132 132 ALA H H 132 8.000 8.000 7.914 0.086 18788 658 1 . 1 1 133 133 LYS N N 133 117.200 117.200 117.840 -0.640 18788 659 1 . 1 1 133 133 LYS HA H 133 3.450 3.450 3.491 -0.041 18788 660 1 . 1 1 133 133 LYS C C 133 180.800 180.800 179.239 1.561 18788 661 1 . 1 1 133 133 LYS CA C 133 59.500 59.500 59.173 0.327 18788 662 1 . 1 1 133 133 LYS CB C 133 32.200 32.200 32.032 0.168 18788 663 1 . 1 1 133 133 LYS H H 133 8.170 8.170 7.937 0.233 18788 664 1 . 1 1 134 134 LYS N N 134 122.600 122.600 118.248 4.352 18788 665 1 . 1 1 134 134 LYS HA H 134 3.960 3.960 4.097 -0.137 18788 666 1 . 1 1 134 134 LYS C C 134 178.700 178.700 178.353 0.347 18788 667 1 . 1 1 134 134 LYS CA C 134 59.200 59.200 58.607 0.593 18788 668 1 . 1 1 134 134 LYS CB C 134 32.200 32.200 32.022 0.179 18788 669 1 . 1 1 134 134 LYS H H 134 7.830 7.830 7.757 0.073 18788 670 1 . 1 1 135 135 GLU N N 135 116.500 116.500 117.504 -1.004 18788 671 1 . 1 1 135 135 GLU HA H 135 4.030 4.030 4.374 -0.344 18788 672 1 . 1 1 135 135 GLU C C 135 174.500 174.500 175.380 -0.880 18788 673 1 . 1 1 135 135 GLU CA C 135 56.700 56.700 56.097 0.603 18788 674 1 . 1 1 135 135 GLU CB C 135 29.700 29.700 29.788 -0.088 18788 675 1 . 1 1 135 135 GLU H H 135 7.680 7.680 7.614 0.066 18788 676 1 . 1 1 136 136 LYS N N 136 116.800 116.800 116.987 -0.188 18788 677 1 . 1 1 136 136 LYS HA H 136 3.540 3.540 4.025 -0.485 18788 678 1 . 1 1 136 136 LYS C C 136 175.000 175.000 176.023 -1.023 18788 679 1 . 1 1 136 136 LYS CA C 136 56.800 56.800 56.730 0.070 18788 680 1 . 1 1 136 136 LYS CB C 136 28.800 28.800 29.682 -0.882 18788 681 1 . 1 1 136 136 LYS H H 136 7.820 7.820 7.565 0.255 18788 682 1 . 1 1 137 137 LEU N N 137 117.000 117.000 118.279 -1.279 18788 683 1 . 1 1 137 137 LEU HA H 137 4.190 4.190 4.212 -0.022 18788 684 1 . 1 1 137 137 LEU C C 137 178.500 178.500 178.314 0.186 18788 685 1 . 1 1 137 137 LEU CA C 137 55.000 55.000 55.067 -0.067 18788 686 1 . 1 1 137 137 LEU CB C 137 44.000 44.000 42.336 1.664 18788 687 1 . 1 1 137 137 LEU H H 137 7.650 7.650 8.068 -0.418 18788 688 1 . 1 1 138 138 ASN N N 138 118.700 118.700 119.114 -0.414 18788 689 1 . 1 1 138 138 ASN HA H 138 3.730 3.730 4.310 -0.580 18788 690 1 . 1 1 138 138 ASN C C 138 176.300 176.300 177.659 -1.359 18788 691 1 . 1 1 138 138 ASN CA C 138 56.600 56.600 56.392 0.208 18788 692 1 . 1 1 138 138 ASN CB C 138 38.700 38.700 38.342 0.358 18788 693 1 . 1 1 138 138 ASN H H 138 9.050 9.050 8.752 0.298 18788 694 1 . 1 1 139 139 ILE N N 139 123.800 123.800 114.116 9.684 18788 695 1 . 1 1 139 139 ILE HA H 139 3.380 3.380 3.938 -0.558 18788 696 1 . 1 1 139 139 ILE C C 139 176.700 176.700 176.035 0.665 18788 697 1 . 1 1 139 139 ILE CA C 139 65.700 65.700 62.715 2.985 18788 698 1 . 1 1 139 139 ILE CB C 139 37.000 37.000 37.460 -0.460 18788 699 1 . 1 1 139 139 ILE H H 139 8.350 8.350 7.658 0.692 18788 700 1 . 1 1 140 140 TRP N N 140 119.700 119.700 119.361 0.339 18788 701 1 . 1 1 140 140 TRP HA H 140 4.940 4.940 4.726 0.214 18788 702 1 . 1 1 140 140 TRP C C 140 176.200 176.200 176.647 -0.447 18788 703 1 . 1 1 140 140 TRP CA C 140 54.900 54.900 56.350 -1.450 18788 704 1 . 1 1 140 140 TRP CB C 140 30.000 30.000 30.151 -0.151 18788 705 1 . 1 1 140 140 TRP H H 140 7.850 7.850 7.790 0.060 18788 706 1 . 1 1 141 141 SER N N 141 116.100 116.100 115.840 0.259 18788 707 1 . 1 1 141 141 SER HA H 141 4.220 4.220 4.525 -0.305 18788 708 1 . 1 1 141 141 SER C C 141 175.200 175.200 174.837 0.363 18788 709 1 . 1 1 141 141 SER CA C 141 59.800 59.800 58.649 1.151 18788 710 1 . 1 1 141 141 SER CB C 141 64.600 64.600 63.156 1.444 18788 711 1 . 1 1 141 141 SER H H 141 8.080 8.080 7.820 0.260 18788 712 1 . 1 1 142 142 GLU N N 142 121.200 121.200 123.519 -2.319 18788 713 1 . 1 1 142 142 GLU HA H 142 4.430 4.430 4.284 0.146 18788 714 1 . 1 1 142 142 GLU C C 142 176.200 176.200 175.999 0.201 18788 715 1 . 1 1 142 142 GLU CA C 142 56.100 56.100 57.084 -0.984 18788 716 1 . 1 1 142 142 GLU CB C 142 30.500 30.500 29.811 0.689 18788 717 1 . 1 1 142 142 GLU H H 142 8.020 8.020 8.445 -0.425 18788 718 1 . 1 1 143 143 ASP N N 143 121.400 121.400 121.695 -0.295 18788 719 1 . 1 1 143 143 ASP HA H 143 4.620 4.620 4.687 -0.067 18788 720 1 . 1 1 143 143 ASP C C 143 176.100 176.100 176.171 -0.071 18788 721 1 . 1 1 143 143 ASP CA C 143 54.800 54.800 54.140 0.660 18788 722 1 . 1 1 143 143 ASP CB C 143 41.200 41.200 41.678 -0.478 18788 723 1 . 1 1 143 143 ASP H H 143 8.370 8.370 8.117 0.253 18788 724 1 . 1 1 144 144 ASN N N 144 119.300 119.300 121.328 -2.028 18788 725 1 . 1 1 144 144 ASN HA H 144 4.760 4.760 4.654 0.106 18788 726 1 . 1 1 144 144 ASN C C 144 175.200 175.200 175.204 -0.004 18788 727 1 . 1 1 144 144 ASN CA C 144 53.200 53.200 53.917 -0.717 18788 728 1 . 1 1 144 144 ASN CB C 144 39.000 39.000 39.157 -0.157 18788 729 1 . 1 1 144 144 ASN H H 144 8.400 8.400 8.510 -0.110 18788 730 1 . 1 1 145 145 ALA N N 145 124.300 124.300 121.806 2.494 18788 731 1 . 1 1 145 145 ALA HA H 145 4.310 4.310 4.275 0.035 18788 732 1 . 1 1 145 145 ALA C C 145 177.700 177.700 176.540 1.160 18788 733 1 . 1 1 145 145 ALA CA C 145 53.300 53.300 52.593 0.707 18788 734 1 . 1 1 145 145 ALA CB C 145 19.200 19.200 18.827 0.373 18788 735 1 . 1 1 145 145 ALA H H 145 8.240 8.240 8.049 0.191 18788 736 1 . 1 1 146 146 ASP N N 146 119.200 119.200 119.249 -0.049 18788 737 1 . 1 1 146 146 ASP HA H 146 4.670 4.670 4.610 0.060 18788 738 1 . 1 1 146 146 ASP C C 146 176.400 176.400 176.057 0.343 18788 739 1 . 1 1 146 146 ASP CA C 146 54.400 54.400 54.578 -0.178 18788 740 1 . 1 1 146 146 ASP CB C 146 41.200 41.200 41.503 -0.302 18788 741 1 . 1 1 146 146 ASP H H 146 8.340 8.340 8.378 -0.038 18788 742 1 . 1 1 147 147 SER N N 147 116.100 116.100 116.725 -0.625 18788 743 1 . 1 1 147 147 SER HA H 147 4.450 4.450 4.560 -0.110 18788 744 1 . 1 1 147 147 SER C C 147 175.200 175.200 174.662 0.538 18788 745 1 . 1 1 147 147 SER CA C 147 58.900 58.900 58.473 0.427 18788 746 1 . 1 1 147 147 SER CB C 147 64.100 64.100 63.561 0.539 18788 747 1 . 1 1 147 147 SER H H 147 8.220 8.220 8.304 -0.084 18788 748 1 . 1 1 148 148 GLY N N 148 111.200 111.200 110.520 0.680 18788 749 1 . 1 1 148 148 GLY C C 148 173.400 173.400 173.254 0.146 18788 750 1 . 1 1 148 148 GLY CA C 148 45.500 45.500 45.292 0.208 18788 751 1 . 1 1 148 148 GLY H H 148 8.470 8.470 8.227 0.243 18788 stop_ save_