data_19533 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19533 _Entry.PDB_ID 2MEW 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 19533 _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 3 3 GLY C C 3 174.400 174.400 175.258 -0.858 19533 2 1 1 . 1 1 3 3 GLY CA C 3 45.570 45.570 44.900 0.670 19533 3 1 1 . 1 1 4 4 GLY N N 4 109.110 109.110 109.496 -0.386 19533 4 1 1 . 1 1 4 4 GLY C C 4 174.070 174.070 174.327 -0.257 19533 5 1 1 . 1 1 4 4 GLY CA C 4 45.410 45.410 44.855 0.555 19533 6 1 1 . 1 1 4 4 GLY H H 4 8.380 8.380 8.549 -0.169 19533 7 1 1 . 1 1 5 5 GLN N N 5 119.810 119.810 119.195 0.615 19533 8 1 1 . 1 1 5 5 GLN HA H 5 4.470 4.470 4.518 -0.048 19533 9 1 1 . 1 1 5 5 GLN C C 5 174.980 174.980 174.883 0.097 19533 10 1 1 . 1 1 5 5 GLN CA C 5 56.300 56.300 54.571 1.729 19533 11 1 1 . 1 1 5 5 GLN CB C 5 30.080 30.080 30.876 -0.796 19533 12 1 1 . 1 1 5 5 GLN H H 5 8.280 8.280 8.145 0.135 19533 13 1 1 . 1 1 6 6 LYS N N 6 120.240 120.240 121.320 -1.080 19533 14 1 1 . 1 1 6 6 LYS HA H 6 5.080 5.080 5.129 -0.049 19533 15 1 1 . 1 1 6 6 LYS C C 6 175.110 175.110 175.614 -0.504 19533 16 1 1 . 1 1 6 6 LYS CA C 6 55.330 55.330 55.065 0.265 19533 17 1 1 . 1 1 6 6 LYS CB C 6 35.450 35.450 34.837 0.613 19533 18 1 1 . 1 1 6 6 LYS H H 6 8.080 8.080 8.405 -0.325 19533 19 1 1 . 1 1 7 7 ILE N N 7 120.690 120.690 122.775 -2.085 19533 20 1 1 . 1 1 7 7 ILE HA H 7 4.540 4.540 4.390 0.150 19533 21 1 1 . 1 1 7 7 ILE C C 7 173.880 173.880 174.915 -1.035 19533 22 1 1 . 1 1 7 7 ILE CA C 7 60.520 60.520 60.000 0.520 19533 23 1 1 . 1 1 7 7 ILE CB C 7 40.830 40.830 40.891 -0.061 19533 24 1 1 . 1 1 7 7 ILE H H 7 8.770 8.770 8.370 0.400 19533 25 1 1 . 1 1 8 8 ARG N N 8 127.060 127.060 125.061 1.999 19533 26 1 1 . 1 1 8 8 ARG HA H 8 5.330 5.330 5.192 0.138 19533 27 1 1 . 1 1 8 8 ARG C C 8 174.690 174.690 175.363 -0.673 19533 28 1 1 . 1 1 8 8 ARG CA C 8 55.070 55.070 54.716 0.354 19533 29 1 1 . 1 1 8 8 ARG CB C 8 32.370 32.370 33.131 -0.761 19533 30 1 1 . 1 1 8 8 ARG H H 8 8.480 8.480 8.517 -0.037 19533 31 1 1 . 1 1 9 9 ILE N N 9 127.670 127.670 124.431 3.239 19533 32 1 1 . 1 1 9 9 ILE HA H 9 4.800 4.800 4.412 0.388 19533 33 1 1 . 1 1 9 9 ILE C C 9 174.380 174.380 174.777 -0.397 19533 34 1 1 . 1 1 9 9 ILE CA C 9 60.240 60.240 60.209 0.032 19533 35 1 1 . 1 1 9 9 ILE CB C 9 39.860 39.860 41.285 -1.425 19533 36 1 1 . 1 1 9 9 ILE H H 9 9.540 9.540 8.379 1.161 19533 37 1 1 . 1 1 10 10 LYS N N 10 127.240 127.240 126.989 0.251 19533 38 1 1 . 1 1 10 10 LYS HA H 10 5.220 5.220 5.104 0.116 19533 39 1 1 . 1 1 10 10 LYS C C 10 175.130 175.130 175.543 -0.413 19533 40 1 1 . 1 1 10 10 LYS CA C 10 54.760 54.760 55.445 -0.685 19533 41 1 1 . 1 1 10 10 LYS CB C 10 34.940 34.940 34.332 0.608 19533 42 1 1 . 1 1 10 10 LYS H H 10 9.050 9.050 8.523 0.527 19533 43 1 1 . 1 1 11 11 LEU N N 11 124.480 124.480 125.464 -0.984 19533 44 1 1 . 1 1 11 11 LEU HA H 11 5.450 5.450 5.496 -0.046 19533 45 1 1 . 1 1 11 11 LEU C C 11 176.000 176.000 175.992 0.008 19533 46 1 1 . 1 1 11 11 LEU CA C 11 53.320 53.320 53.645 -0.325 19533 47 1 1 . 1 1 11 11 LEU CB C 11 46.960 46.960 43.714 3.246 19533 48 1 1 . 1 1 11 11 LEU H H 11 8.790 8.790 8.759 0.031 19533 49 1 1 . 1 1 12 12 LYS N N 12 119.690 119.690 121.500 -1.810 19533 50 1 1 . 1 1 12 12 LYS HA H 12 5.570 5.570 5.345 0.225 19533 51 1 1 . 1 1 12 12 LYS C C 12 174.610 174.610 175.044 -0.434 19533 52 1 1 . 1 1 12 12 LYS CA C 12 54.600 54.600 54.561 0.039 19533 53 1 1 . 1 1 12 12 LYS CB C 12 36.480 36.480 36.230 0.250 19533 54 1 1 . 1 1 12 12 LYS H H 12 8.550 8.550 8.459 0.091 19533 55 1 1 . 1 1 13 13 ALA N N 13 120.780 120.780 124.578 -3.798 19533 56 1 1 . 1 1 13 13 ALA HA H 13 4.720 4.720 4.680 0.040 19533 57 1 1 . 1 1 13 13 ALA C C 13 176.120 176.120 176.170 -0.050 19533 58 1 1 . 1 1 13 13 ALA CA C 13 52.230 52.230 51.900 0.330 19533 59 1 1 . 1 1 13 13 ALA CB C 13 24.780 24.780 21.422 3.357 19533 60 1 1 . 1 1 13 13 ALA H H 13 8.740 8.740 7.963 0.777 19533 61 1 1 . 1 1 14 14 TYR N N 14 117.810 117.810 120.409 -2.599 19533 62 1 1 . 1 1 14 14 TYR HA H 14 4.920 4.920 4.411 0.509 19533 63 1 1 . 1 1 14 14 TYR C C 14 175.960 175.960 176.427 -0.467 19533 64 1 1 . 1 1 14 14 TYR CA C 14 59.790 59.790 60.738 -0.948 19533 65 1 1 . 1 1 14 14 TYR CB C 14 38.840 38.840 38.919 -0.079 19533 66 1 1 . 1 1 14 14 TYR H H 14 8.670 8.670 8.821 -0.151 19533 67 1 1 . 1 1 15 15 ASP N N 15 118.650 118.650 117.566 1.084 19533 68 1 1 . 1 1 15 15 ASP HA H 15 4.890 4.890 5.022 -0.132 19533 69 1 1 . 1 1 15 15 ASP C C 15 175.980 175.980 177.033 -1.053 19533 70 1 1 . 1 1 15 15 ASP CA C 15 52.830 52.830 53.694 -0.864 19533 71 1 1 . 1 1 15 15 ASP CB C 15 42.420 42.420 41.093 1.327 19533 72 1 1 . 1 1 15 15 ASP H H 15 7.390 7.390 8.127 -0.737 19533 73 1 1 . 1 1 16 16 HIS N N 16 124.080 124.080 122.701 1.379 19533 74 1 1 . 1 1 16 16 HIS HA H 16 3.830 3.830 4.132 -0.302 19533 75 1 1 . 1 1 16 16 HIS C C 16 176.000 176.000 176.415 -0.415 19533 76 1 1 . 1 1 16 16 HIS CA C 16 59.190 59.190 59.633 -0.443 19533 77 1 1 . 1 1 16 16 HIS CB C 16 29.030 29.030 29.116 -0.086 19533 78 1 1 . 1 1 16 16 HIS H H 16 8.190 8.190 8.912 -0.722 19533 79 1 1 . 1 1 17 17 GLU N N 17 121.830 121.830 121.419 0.411 19533 80 1 1 . 1 1 17 17 GLU HA H 17 4.040 4.040 3.665 0.375 19533 81 1 1 . 1 1 17 17 GLU C C 17 179.540 179.540 178.626 0.914 19533 82 1 1 . 1 1 17 17 GLU CA C 17 59.520 59.520 59.104 0.416 19533 83 1 1 . 1 1 17 17 GLU CB C 17 29.020 29.020 28.568 0.452 19533 84 1 1 . 1 1 17 17 GLU H H 17 7.740 7.740 7.672 0.068 19533 85 1 1 . 1 1 18 18 LEU N N 18 121.120 121.120 119.533 1.587 19533 86 1 1 . 1 1 18 18 LEU HA H 18 4.030 4.030 4.021 0.009 19533 87 1 1 . 1 1 18 18 LEU C C 18 180.600 180.600 179.338 1.262 19533 88 1 1 . 1 1 18 18 LEU CA C 18 57.050 57.050 57.856 -0.806 19533 89 1 1 . 1 1 18 18 LEU CB C 18 42.390 42.390 41.387 1.003 19533 90 1 1 . 1 1 18 18 LEU H H 18 7.510 7.510 7.958 -0.448 19533 91 1 1 . 1 1 19 19 LEU N N 19 121.190 121.190 120.050 1.140 19533 92 1 1 . 1 1 19 19 LEU HA H 19 3.750 3.750 3.870 -0.120 19533 93 1 1 . 1 1 19 19 LEU C C 19 177.580 177.580 178.105 -0.525 19533 94 1 1 . 1 1 19 19 LEU CA C 19 57.950 57.950 58.057 -0.107 19533 95 1 1 . 1 1 19 19 LEU CB C 19 42.100 42.100 41.672 0.428 19533 96 1 1 . 1 1 19 19 LEU H H 19 7.780 7.780 7.797 -0.017 19533 97 1 1 . 1 1 20 20 ASP N N 20 119.750 119.750 119.944 -0.194 19533 98 1 1 . 1 1 20 20 ASP HA H 20 4.490 4.490 4.325 0.165 19533 99 1 1 . 1 1 20 20 ASP C C 20 179.450 179.450 178.753 0.697 19533 100 1 1 . 1 1 20 20 ASP CA C 20 58.070 58.070 57.759 0.311 19533 101 1 1 . 1 1 20 20 ASP CB C 20 40.130 40.130 40.073 0.057 19533 102 1 1 . 1 1 20 20 ASP H H 20 8.150 8.150 8.523 -0.373 19533 103 1 1 . 1 1 21 21 GLU N N 21 120.710 120.710 120.089 0.621 19533 104 1 1 . 1 1 21 21 GLU HA H 21 4.080 4.080 4.054 0.026 19533 105 1 1 . 1 1 21 21 GLU C C 21 179.370 179.370 178.866 0.504 19533 106 1 1 . 1 1 21 21 GLU CA C 21 59.210 59.210 59.340 -0.130 19533 107 1 1 . 1 1 21 21 GLU CB C 21 29.650 29.650 29.811 -0.161 19533 108 1 1 . 1 1 21 21 GLU H H 21 8.050 8.050 7.929 0.121 19533 109 1 1 . 1 1 22 22 SER N N 22 116.150 116.150 115.666 0.484 19533 110 1 1 . 1 1 22 22 SER HA H 22 4.090 4.090 4.211 -0.121 19533 111 1 1 . 1 1 22 22 SER C C 22 175.000 175.000 176.672 -1.672 19533 112 1 1 . 1 1 22 22 SER CA C 22 62.900 62.900 61.506 1.394 19533 113 1 1 . 1 1 22 22 SER CB C 22 62.900 62.900 62.861 0.039 19533 114 1 1 . 1 1 22 22 SER H H 22 7.950 7.950 7.998 -0.048 19533 115 1 1 . 1 1 23 23 ALA N N 23 123.240 123.240 124.127 -0.887 19533 116 1 1 . 1 1 23 23 ALA HA H 23 3.760 3.760 4.076 -0.316 19533 117 1 1 . 1 1 23 23 ALA C C 23 178.540 178.540 179.351 -0.811 19533 118 1 1 . 1 1 23 23 ALA CA C 23 55.190 55.190 55.514 -0.324 19533 119 1 1 . 1 1 23 23 ALA CB C 23 17.870 17.870 18.271 -0.401 19533 120 1 1 . 1 1 23 23 ALA H H 23 8.560 8.560 8.176 0.384 19533 121 1 1 . 1 1 24 24 LYS N N 24 116.780 116.780 118.718 -1.938 19533 122 1 1 . 1 1 24 24 LYS HA H 24 3.840 3.840 3.931 -0.091 19533 123 1 1 . 1 1 24 24 LYS C C 24 178.720 178.720 178.437 0.283 19533 124 1 1 . 1 1 24 24 LYS CA C 24 59.940 59.940 59.639 0.301 19533 125 1 1 . 1 1 24 24 LYS CB C 24 32.250 32.250 32.319 -0.069 19533 126 1 1 . 1 1 24 24 LYS H H 24 7.750 7.750 8.144 -0.394 19533 127 1 1 . 1 1 25 25 LYS N N 25 118.950 118.950 119.692 -0.742 19533 128 1 1 . 1 1 25 25 LYS HA H 25 4.040 4.040 4.035 0.005 19533 129 1 1 . 1 1 25 25 LYS C C 25 178.720 178.720 179.001 -0.281 19533 130 1 1 . 1 1 25 25 LYS CA C 25 59.000 59.000 59.583 -0.583 19533 131 1 1 . 1 1 25 25 LYS CB C 25 32.120 32.120 32.437 -0.317 19533 132 1 1 . 1 1 25 25 LYS H H 25 7.580 7.580 8.083 -0.503 19533 133 1 1 . 1 1 26 26 ILE N N 26 118.310 118.310 120.195 -1.885 19533 134 1 1 . 1 1 26 26 ILE HA H 26 3.470 3.470 3.669 -0.199 19533 135 1 1 . 1 1 26 26 ILE CA C 26 65.060 65.060 65.240 -0.180 19533 136 1 1 . 1 1 26 26 ILE CB C 26 36.720 36.720 37.930 -1.210 19533 137 1 1 . 1 1 26 26 ILE H H 26 7.610 7.610 8.227 -0.617 19533 138 1 1 . 1 1 27 27 VAL N N 27 118.900 118.900 120.720 -1.820 19533 139 1 1 . 1 1 27 27 VAL HA H 27 3.390 3.390 3.515 -0.125 19533 140 1 1 . 1 1 27 27 VAL C C 27 177.550 177.550 178.386 -0.836 19533 141 1 1 . 1 1 27 27 VAL CA C 27 67.630 67.630 67.338 0.292 19533 142 1 1 . 1 1 27 27 VAL CB C 27 31.420 31.420 30.973 0.447 19533 143 1 1 . 1 1 27 27 VAL H H 27 7.950 7.950 8.295 -0.345 19533 144 1 1 . 1 1 28 28 GLU N N 28 118.800 118.800 119.819 -1.019 19533 145 1 1 . 1 1 28 28 GLU HA H 28 3.980 3.980 4.061 -0.081 19533 146 1 1 . 1 1 28 28 GLU C C 28 180.130 180.130 179.611 0.519 19533 147 1 1 . 1 1 28 28 GLU CA C 28 59.740 59.740 59.410 0.330 19533 148 1 1 . 1 1 28 28 GLU CB C 28 29.380 29.380 29.196 0.184 19533 149 1 1 . 1 1 28 28 GLU H H 28 8.180 8.180 8.100 0.080 19533 150 1 1 . 1 1 29 29 VAL N N 29 120.730 120.730 119.729 1.001 19533 151 1 1 . 1 1 29 29 VAL HA H 29 3.710 3.710 3.824 -0.114 19533 152 1 1 . 1 1 29 29 VAL C C 29 179.240 179.240 178.420 0.820 19533 153 1 1 . 1 1 29 29 VAL CA C 29 66.290 66.290 64.795 1.495 19533 154 1 1 . 1 1 29 29 VAL CB C 29 31.420 31.420 30.801 0.619 19533 155 1 1 . 1 1 29 29 VAL H H 29 8.120 8.120 7.858 0.262 19533 156 1 1 . 1 1 30 30 ALA N N 30 123.770 123.770 122.918 0.852 19533 157 1 1 . 1 1 30 30 ALA HA H 30 3.880 3.880 3.993 -0.113 19533 158 1 1 . 1 1 30 30 ALA C C 30 179.630 179.630 179.765 -0.135 19533 159 1 1 . 1 1 30 30 ALA CA C 30 55.560 55.560 55.295 0.265 19533 160 1 1 . 1 1 30 30 ALA CB C 30 18.000 18.000 18.470 -0.470 19533 161 1 1 . 1 1 30 30 ALA H H 30 8.310 8.310 8.778 -0.468 19533 162 1 1 . 1 1 31 31 LYS N N 31 118.260 118.260 118.872 -0.612 19533 163 1 1 . 1 1 31 31 LYS HA H 31 4.200 4.200 4.065 0.135 19533 164 1 1 . 1 1 31 31 LYS C C 31 180.710 180.710 178.454 2.256 19533 165 1 1 . 1 1 31 31 LYS CA C 31 59.910 59.910 58.910 1.000 19533 166 1 1 . 1 1 31 31 LYS CB C 31 32.270 32.270 32.289 -0.019 19533 167 1 1 . 1 1 31 31 LYS H H 31 8.710 8.710 8.417 0.293 19533 168 1 1 . 1 1 32 32 SER N N 32 115.760 115.760 112.474 3.286 19533 169 1 1 . 1 1 32 32 SER HA H 32 4.380 4.380 4.310 0.070 19533 170 1 1 . 1 1 32 32 SER C C 32 175.120 175.120 175.141 -0.021 19533 171 1 1 . 1 1 32 32 SER CA C 32 61.300 61.300 60.419 0.881 19533 172 1 1 . 1 1 32 32 SER CB C 32 63.220 63.220 63.594 -0.374 19533 173 1 1 . 1 1 32 32 SER H H 32 8.310 8.310 7.825 0.485 19533 174 1 1 . 1 1 33 33 THR N N 33 108.990 108.990 113.852 -4.862 19533 175 1 1 . 1 1 33 33 THR HA H 33 4.490 4.490 4.351 0.139 19533 176 1 1 . 1 1 33 33 THR C C 33 173.390 173.390 174.585 -1.195 19533 177 1 1 . 1 1 33 33 THR CA C 33 60.910 60.910 61.662 -0.752 19533 178 1 1 . 1 1 33 33 THR CB C 33 68.860 68.860 70.344 -1.484 19533 179 1 1 . 1 1 33 33 THR H H 33 7.330 7.330 7.603 -0.273 19533 180 1 1 . 1 1 34 34 ASN N N 34 115.250 115.250 119.393 -4.143 19533 181 1 1 . 1 1 34 34 ASN HA H 34 4.450 4.450 4.454 -0.004 19533 182 1 1 . 1 1 34 34 ASN C C 34 174.490 174.490 175.682 -1.192 19533 183 1 1 . 1 1 34 34 ASN CA C 34 54.800 54.800 55.276 -0.476 19533 184 1 1 . 1 1 34 34 ASN CB C 34 37.160 37.160 38.538 -1.378 19533 185 1 1 . 1 1 34 34 ASN H H 34 7.910 7.910 8.872 -0.962 19533 186 1 1 . 1 1 35 35 SER N N 35 113.160 113.160 113.480 -0.320 19533 187 1 1 . 1 1 35 35 SER HA H 35 4.830 4.830 4.614 0.216 19533 188 1 1 . 1 1 35 35 SER C C 35 173.250 173.250 173.945 -0.695 19533 189 1 1 . 1 1 35 35 SER CA C 35 58.550 58.550 58.942 -0.392 19533 190 1 1 . 1 1 35 35 SER CB C 35 64.910 64.910 64.100 0.810 19533 191 1 1 . 1 1 35 35 SER H H 35 7.800 7.800 8.063 -0.263 19533 192 1 1 . 1 1 36 36 LYS N N 36 123.770 123.770 121.247 2.523 19533 193 1 1 . 1 1 36 36 LYS HA H 36 4.420 4.420 4.687 -0.267 19533 194 1 1 . 1 1 36 36 LYS C C 36 175.270 175.270 175.306 -0.036 19533 195 1 1 . 1 1 36 36 LYS CA C 36 56.290 56.290 55.338 0.952 19533 196 1 1 . 1 1 36 36 LYS CB C 36 33.390 33.390 35.980 -2.590 19533 197 1 1 . 1 1 36 36 LYS H H 36 8.390 8.390 8.344 0.046 19533 198 1 1 . 1 1 37 37 VAL N N 37 119.710 119.710 121.940 -2.230 19533 199 1 1 . 1 1 37 37 VAL HA H 37 5.010 5.010 4.792 0.218 19533 200 1 1 . 1 1 37 37 VAL C C 37 175.120 175.120 175.102 0.018 19533 201 1 1 . 1 1 37 37 VAL CA C 37 59.800 59.800 61.137 -1.337 19533 202 1 1 . 1 1 37 37 VAL CB C 37 35.260 35.260 34.740 0.520 19533 203 1 1 . 1 1 37 37 VAL H H 37 8.130 8.130 8.425 -0.295 19533 204 1 1 . 1 1 38 38 SER N N 38 121.650 121.650 120.721 0.929 19533 205 1 1 . 1 1 38 38 SER HA H 38 4.810 4.810 4.807 0.003 19533 206 1 1 . 1 1 38 38 SER C C 38 173.290 173.290 173.449 -0.159 19533 207 1 1 . 1 1 38 38 SER CA C 38 56.930 56.930 56.675 0.256 19533 208 1 1 . 1 1 38 38 SER CB C 38 64.420 64.420 64.596 -0.176 19533 209 1 1 . 1 1 38 38 SER H H 38 9.060 9.060 9.120 -0.060 19533 210 1 1 . 1 1 39 39 GLY N N 39 112.740 112.740 112.441 0.299 19533 211 1 1 . 1 1 39 39 GLY CA C 39 43.180 43.180 44.564 -1.384 19533 212 1 1 . 1 1 39 39 GLY H H 39 8.430 8.430 8.239 0.191 19533 213 1 1 . 1 1 40 40 PRO HA H 40 4.760 4.760 4.450 0.310 19533 214 1 1 . 1 1 40 40 PRO C C 40 175.760 175.760 175.673 0.087 19533 215 1 1 . 1 1 40 40 PRO CA C 40 61.350 61.350 63.040 -1.690 19533 216 1 1 . 1 1 40 40 PRO CB C 40 34.780 34.780 32.729 2.051 19533 217 1 1 . 1 1 41 41 ILE N N 41 125.440 125.440 122.912 2.528 19533 218 1 1 . 1 1 41 41 ILE HA H 41 4.750 4.750 4.525 0.225 19533 219 1 1 . 1 1 41 41 ILE CA C 41 57.700 57.700 58.511 -0.811 19533 220 1 1 . 1 1 41 41 ILE CB C 41 40.570 40.570 38.507 2.063 19533 221 1 1 . 1 1 41 41 ILE H H 41 9.560 9.560 8.706 0.854 19533 222 1 1 . 1 1 42 42 PRO HA H 42 4.820 4.820 4.541 0.279 19533 223 1 1 . 1 1 42 42 PRO C C 42 175.600 175.600 175.853 -0.253 19533 224 1 1 . 1 1 42 42 PRO CA C 42 62.720 62.720 62.881 -0.161 19533 225 1 1 . 1 1 42 42 PRO CB C 42 31.740 31.740 32.327 -0.587 19533 226 1 1 . 1 1 43 43 LEU N N 43 123.010 123.010 123.780 -0.770 19533 227 1 1 . 1 1 43 43 LEU HA H 43 4.830 4.830 4.848 -0.018 19533 228 1 1 . 1 1 43 43 LEU CA C 43 51.960 51.960 51.698 0.262 19533 229 1 1 . 1 1 43 43 LEU CB C 43 42.460 42.460 43.364 -0.904 19533 230 1 1 . 1 1 43 43 LEU H H 43 7.230 7.230 8.063 -0.833 19533 231 1 1 . 1 1 44 44 PRO HA H 44 4.370 4.370 4.518 -0.148 19533 232 1 1 . 1 1 44 44 PRO C C 44 176.620 176.620 176.291 0.329 19533 233 1 1 . 1 1 44 44 PRO CA C 44 63.660 63.660 62.777 0.883 19533 234 1 1 . 1 1 44 44 PRO CB C 44 31.780 31.780 32.000 -0.220 19533 235 1 1 . 1 1 45 45 THR N N 45 121.280 121.280 119.209 2.071 19533 236 1 1 . 1 1 45 45 THR HA H 45 4.380 4.380 4.885 -0.505 19533 237 1 1 . 1 1 45 45 THR CA C 45 63.240 63.240 62.900 0.340 19533 238 1 1 . 1 1 45 45 THR CB C 45 69.520 69.520 69.724 -0.204 19533 239 1 1 . 1 1 45 45 THR H H 45 8.360 8.360 8.277 0.083 19533 240 1 1 . 1 1 46 46 GLU C C 46 176.830 176.830 176.009 0.821 19533 241 1 1 . 1 1 46 46 GLU CB C 46 24.950 24.950 32.647 -7.697 19533 242 1 1 . 1 1 47 47 SER N N 47 121.430 121.430 118.564 2.866 19533 243 1 1 . 1 1 47 47 SER HA H 47 4.910 4.910 4.085 0.825 19533 244 1 1 . 1 1 47 47 SER CA C 47 55.810 55.810 58.675 -2.865 19533 245 1 1 . 1 1 47 47 SER CB C 47 64.100 64.100 62.545 1.555 19533 246 1 1 . 1 1 47 47 SER H H 47 7.820 7.820 9.146 -1.326 19533 247 1 1 . 1 1 48 48 ARG HA H 48 3.650 3.650 3.910 -0.260 19533 248 1 1 . 1 1 48 48 ARG C C 48 173.650 173.650 174.744 -1.094 19533 249 1 1 . 1 1 48 48 ARG CA C 48 58.000 58.000 56.993 1.007 19533 250 1 1 . 1 1 48 48 ARG CB C 48 28.170 28.170 28.774 -0.604 19533 251 1 1 . 1 1 49 49 VAL N N 49 119.480 119.480 117.201 2.279 19533 252 1 1 . 1 1 49 49 VAL HA H 49 3.530 3.530 4.163 -0.633 19533 253 1 1 . 1 1 49 49 VAL C C 49 174.680 174.680 174.733 -0.053 19533 254 1 1 . 1 1 49 49 VAL CA C 49 62.880 62.880 60.538 2.342 19533 255 1 1 . 1 1 49 49 VAL CB C 49 32.030 32.030 35.309 -3.279 19533 256 1 1 . 1 1 49 49 VAL H H 49 7.700 7.700 7.782 -0.082 19533 257 1 1 . 1 1 50 50 HIS N N 50 128.530 128.530 125.400 3.130 19533 258 1 1 . 1 1 50 50 HIS HA H 50 4.720 4.720 4.893 -0.173 19533 259 1 1 . 1 1 50 50 HIS C C 50 175.470 175.470 174.207 1.263 19533 260 1 1 . 1 1 50 50 HIS CA C 50 55.380 55.380 54.862 0.518 19533 261 1 1 . 1 1 50 50 HIS CB C 50 32.950 32.950 31.954 0.996 19533 262 1 1 . 1 1 50 50 HIS H H 50 8.350 8.350 8.222 0.128 19533 263 1 1 . 1 1 51 51 LYS N N 51 117.460 117.460 120.399 -2.939 19533 264 1 1 . 1 1 51 51 LYS HA H 51 5.770 5.770 5.606 0.164 19533 265 1 1 . 1 1 51 51 LYS C C 51 177.900 177.900 175.271 2.629 19533 266 1 1 . 1 1 51 51 LYS CA C 51 55.210 55.210 55.136 0.074 19533 267 1 1 . 1 1 51 51 LYS CB C 51 39.360 39.360 36.473 2.887 19533 268 1 1 . 1 1 51 51 LYS H H 51 8.940 8.940 8.680 0.260 19533 269 1 1 . 1 1 52 52 ARG N N 52 120.830 120.830 120.247 0.583 19533 270 1 1 . 1 1 52 52 ARG HA H 52 5.240 5.240 5.160 0.080 19533 271 1 1 . 1 1 52 52 ARG C C 52 173.860 173.860 173.967 -0.107 19533 272 1 1 . 1 1 52 52 ARG CA C 52 53.070 53.070 54.734 -1.665 19533 273 1 1 . 1 1 52 52 ARG CB C 52 34.830 34.830 34.736 0.094 19533 274 1 1 . 1 1 52 52 ARG H H 52 8.990 8.990 8.421 0.569 19533 275 1 1 . 1 1 53 53 LEU N N 53 122.250 122.250 123.642 -1.392 19533 276 1 1 . 1 1 53 53 LEU HA H 53 5.440 5.440 5.321 0.119 19533 277 1 1 . 1 1 53 53 LEU C C 53 176.140 176.140 174.794 1.346 19533 278 1 1 . 1 1 53 53 LEU CA C 53 53.800 53.800 53.088 0.712 19533 279 1 1 . 1 1 53 53 LEU CB C 53 46.410 46.410 45.727 0.683 19533 280 1 1 . 1 1 53 53 LEU H H 53 8.880 8.880 9.074 -0.194 19533 281 1 1 . 1 1 54 54 ILE N N 54 124.790 124.790 127.488 -2.698 19533 282 1 1 . 1 1 54 54 ILE HA H 54 4.420 4.420 4.610 -0.190 19533 283 1 1 . 1 1 54 54 ILE C C 54 173.160 173.160 174.750 -1.590 19533 284 1 1 . 1 1 54 54 ILE CA C 54 61.420 61.420 60.361 1.060 19533 285 1 1 . 1 1 54 54 ILE CB C 54 43.480 43.480 40.017 3.463 19533 286 1 1 . 1 1 54 54 ILE H H 54 9.280 9.280 8.554 0.726 19533 287 1 1 . 1 1 55 55 ASP N N 55 126.260 126.260 128.265 -2.005 19533 288 1 1 . 1 1 55 55 ASP HA H 55 5.800 5.800 5.115 0.685 19533 289 1 1 . 1 1 55 55 ASP C C 55 175.300 175.300 175.461 -0.161 19533 290 1 1 . 1 1 55 55 ASP CA C 55 53.120 53.120 53.430 -0.310 19533 291 1 1 . 1 1 55 55 ASP CB C 55 43.530 43.530 42.489 1.041 19533 292 1 1 . 1 1 55 55 ASP H H 55 8.560 8.560 8.452 0.108 19533 293 1 1 . 1 1 56 56 ILE N N 56 122.260 122.260 121.703 0.557 19533 294 1 1 . 1 1 56 56 ILE HA H 56 4.620 4.620 4.734 -0.114 19533 295 1 1 . 1 1 56 56 ILE C C 56 174.610 174.610 175.524 -0.914 19533 296 1 1 . 1 1 56 56 ILE CA C 56 60.160 60.160 60.278 -0.118 19533 297 1 1 . 1 1 56 56 ILE CB C 56 38.520 38.520 40.712 -2.192 19533 298 1 1 . 1 1 56 56 ILE H H 56 9.100 9.100 8.684 0.416 19533 299 1 1 . 1 1 57 57 ILE N N 57 128.860 128.860 127.255 1.605 19533 300 1 1 . 1 1 57 57 ILE HA H 57 4.200 4.200 4.366 -0.166 19533 301 1 1 . 1 1 57 57 ILE C C 57 174.350 174.350 175.083 -0.733 19533 302 1 1 . 1 1 57 57 ILE CA C 57 60.810 60.810 60.156 0.654 19533 303 1 1 . 1 1 57 57 ILE CB C 57 39.300 39.300 40.651 -1.351 19533 304 1 1 . 1 1 57 57 ILE H H 57 8.480 8.480 9.292 -0.812 19533 305 1 1 . 1 1 58 58 ASP N N 58 122.140 122.140 122.955 -0.815 19533 306 1 1 . 1 1 58 58 ASP HA H 58 4.450 4.450 4.412 0.038 19533 307 1 1 . 1 1 58 58 ASP CA C 58 55.110 55.110 54.674 0.436 19533 308 1 1 . 1 1 58 58 ASP CB C 58 39.500 39.500 40.103 -0.603 19533 309 1 1 . 1 1 58 58 ASP H H 58 8.760 8.760 8.560 0.200 19533 310 1 1 . 1 1 59 59 PRO HA H 59 4.430 4.430 4.383 0.047 19533 311 1 1 . 1 1 59 59 PRO C C 59 176.690 176.690 175.967 0.723 19533 312 1 1 . 1 1 59 59 PRO CA C 59 62.260 62.260 62.909 -0.649 19533 313 1 1 . 1 1 59 59 PRO CB C 59 31.590 31.590 32.482 -0.892 19533 314 1 1 . 1 1 60 60 SER N N 60 117.890 117.890 117.151 0.739 19533 315 1 1 . 1 1 60 60 SER HA H 60 4.920 4.920 4.864 0.056 19533 316 1 1 . 1 1 60 60 SER CA C 60 56.020 56.020 55.138 0.882 19533 317 1 1 . 1 1 60 60 SER CB C 60 64.140 64.140 64.491 -0.351 19533 318 1 1 . 1 1 60 60 SER H H 60 8.050 8.050 7.801 0.249 19533 319 1 1 . 1 1 61 61 PRO HA H 61 4.240 4.240 4.362 -0.122 19533 320 1 1 . 1 1 61 61 PRO CA C 61 66.000 66.000 64.866 1.134 19533 321 1 1 . 1 1 61 61 PRO CB C 61 32.100 32.100 31.944 0.156 19533 322 1 1 . 1 1 62 62 LYS HA H 62 4.150 4.150 4.124 0.026 19533 323 1 1 . 1 1 62 62 LYS C C 62 179.040 179.040 178.812 0.228 19533 324 1 1 . 1 1 62 62 LYS CA C 62 58.690 58.690 59.138 -0.448 19533 325 1 1 . 1 1 62 62 LYS CB C 62 32.330 32.330 32.072 0.259 19533 326 1 1 . 1 1 63 63 THR N N 63 118.760 118.760 116.843 1.917 19533 327 1 1 . 1 1 63 63 THR HA H 63 3.880 3.880 4.093 -0.213 19533 328 1 1 . 1 1 63 63 THR C C 63 175.480 175.480 176.015 -0.535 19533 329 1 1 . 1 1 63 63 THR CA C 63 66.680 66.680 66.652 0.028 19533 330 1 1 . 1 1 63 63 THR CB C 63 68.380 68.380 68.801 -0.421 19533 331 1 1 . 1 1 63 63 THR H H 63 7.940 7.940 7.455 0.485 19533 332 1 1 . 1 1 64 64 ILE N N 64 119.800 119.800 121.989 -2.189 19533 333 1 1 . 1 1 64 64 ILE HA H 64 3.460 3.460 3.632 -0.172 19533 334 1 1 . 1 1 64 64 ILE C C 64 176.830 176.830 177.299 -0.469 19533 335 1 1 . 1 1 64 64 ILE CA C 64 65.180 65.180 65.283 -0.103 19533 336 1 1 . 1 1 64 64 ILE CB C 64 36.720 36.720 37.775 -1.055 19533 337 1 1 . 1 1 64 64 ILE H H 64 7.620 7.620 7.449 0.171 19533 338 1 1 . 1 1 65 65 ASP N N 65 118.090 118.090 119.833 -1.743 19533 339 1 1 . 1 1 65 65 ASP HA H 65 4.220 4.220 4.274 -0.054 19533 340 1 1 . 1 1 65 65 ASP C C 65 177.620 177.620 177.948 -0.328 19533 341 1 1 . 1 1 65 65 ASP CA C 65 57.910 57.910 57.725 0.185 19533 342 1 1 . 1 1 65 65 ASP CB C 65 42.150 42.150 40.945 1.205 19533 343 1 1 . 1 1 65 65 ASP H H 65 7.790 7.790 7.822 -0.032 19533 344 1 1 . 1 1 66 66 ALA N N 66 118.370 118.370 122.083 -3.713 19533 345 1 1 . 1 1 66 66 ALA HA H 66 3.950 3.950 4.119 -0.169 19533 346 1 1 . 1 1 66 66 ALA C C 66 181.140 181.140 179.588 1.552 19533 347 1 1 . 1 1 66 66 ALA CA C 66 54.970 54.970 54.993 -0.023 19533 348 1 1 . 1 1 66 66 ALA CB C 66 18.670 18.670 18.484 0.186 19533 349 1 1 . 1 1 66 66 ALA H H 66 7.620 7.620 7.567 0.053 19533 350 1 1 . 1 1 67 67 LEU N N 67 118.030 118.030 119.624 -1.594 19533 351 1 1 . 1 1 67 67 LEU HA H 67 3.950 3.950 4.024 -0.074 19533 352 1 1 . 1 1 67 67 LEU C C 67 178.210 178.210 178.320 -0.110 19533 353 1 1 . 1 1 67 67 LEU CA C 67 57.420 57.420 57.687 -0.267 19533 354 1 1 . 1 1 67 67 LEU CB C 67 42.100 42.100 41.797 0.303 19533 355 1 1 . 1 1 67 67 LEU H H 67 8.180 8.180 7.567 0.613 19533 356 1 1 . 1 1 68 68 MET N N 68 114.280 114.280 116.099 -1.819 19533 357 1 1 . 1 1 68 68 MET HA H 68 4.260 4.260 4.150 0.110 19533 358 1 1 . 1 1 68 68 MET C C 68 177.050 177.050 178.535 -1.485 19533 359 1 1 . 1 1 68 68 MET CA C 68 56.990 56.990 58.146 -1.156 19533 360 1 1 . 1 1 68 68 MET CB C 68 32.390 32.390 32.647 -0.257 19533 361 1 1 . 1 1 68 68 MET H H 68 7.770 7.770 7.715 0.055 19533 362 1 1 . 1 1 69 69 ARG N N 69 115.480 115.480 117.389 -1.909 19533 363 1 1 . 1 1 69 69 ARG HA H 69 4.410 4.410 4.246 0.164 19533 364 1 1 . 1 1 69 69 ARG C C 69 176.480 176.480 177.093 -0.613 19533 365 1 1 . 1 1 69 69 ARG CA C 69 55.560 55.560 57.861 -2.301 19533 366 1 1 . 1 1 69 69 ARG CB C 69 30.970 30.970 31.009 -0.039 19533 367 1 1 . 1 1 69 69 ARG H H 69 7.180 7.180 7.567 -0.387 19533 368 1 1 . 1 1 70 70 ILE N N 70 119.930 119.930 119.594 0.336 19533 369 1 1 . 1 1 70 70 ILE HA H 70 3.930 3.930 4.128 -0.198 19533 370 1 1 . 1 1 70 70 ILE CA C 70 62.270 62.270 60.536 1.734 19533 371 1 1 . 1 1 70 70 ILE CB C 70 39.050 39.050 39.036 0.014 19533 372 1 1 . 1 1 70 70 ILE H H 70 7.070 7.070 7.595 -0.525 19533 373 1 1 . 1 1 71 71 ASN HA H 71 4.860 4.860 4.851 0.009 19533 374 1 1 . 1 1 71 71 ASN C C 71 174.190 174.190 175.412 -1.222 19533 375 1 1 . 1 1 71 71 ASN CA C 71 52.330 52.330 52.120 0.210 19533 376 1 1 . 1 1 71 71 ASN CB C 71 39.180 39.180 40.058 -0.878 19533 377 1 1 . 1 1 72 72 LEU N N 72 125.700 125.700 123.463 2.237 19533 378 1 1 . 1 1 72 72 LEU HA H 72 4.610 4.610 4.495 0.115 19533 379 1 1 . 1 1 72 72 LEU CA C 72 52.410 52.410 53.681 -1.271 19533 380 1 1 . 1 1 72 72 LEU CB C 72 41.670 41.670 40.679 0.991 19533 381 1 1 . 1 1 72 72 LEU H H 72 8.440 8.440 8.345 0.095 19533 382 1 1 . 1 1 73 73 PRO HA H 73 4.420 4.420 4.431 -0.011 19533 383 1 1 . 1 1 73 73 PRO C C 73 176.110 176.110 176.426 -0.316 19533 384 1 1 . 1 1 73 73 PRO CA C 73 62.240 62.240 62.360 -0.120 19533 385 1 1 . 1 1 73 73 PRO CB C 73 32.450 32.450 32.402 0.048 19533 386 1 1 . 1 1 74 74 ALA N N 74 123.290 123.290 123.370 -0.080 19533 387 1 1 . 1 1 74 74 ALA HA H 74 4.170 4.170 4.091 0.079 19533 388 1 1 . 1 1 74 74 ALA C C 74 178.430 178.430 178.776 -0.346 19533 389 1 1 . 1 1 74 74 ALA CA C 74 53.550 53.550 53.163 0.387 19533 390 1 1 . 1 1 74 74 ALA CB C 74 18.300 18.300 18.742 -0.442 19533 391 1 1 . 1 1 74 74 ALA H H 74 8.160 8.160 8.220 -0.060 19533 392 1 1 . 1 1 75 75 GLY N N 75 106.750 106.750 108.643 -1.893 19533 393 1 1 . 1 1 75 75 GLY C C 75 174.140 174.140 173.191 0.949 19533 394 1 1 . 1 1 75 75 GLY CA C 75 45.020 45.020 45.258 -0.237 19533 395 1 1 . 1 1 75 75 GLY H H 75 8.420 8.420 8.529 -0.109 19533 396 1 1 . 1 1 76 76 VAL N N 76 120.550 120.550 118.886 1.664 19533 397 1 1 . 1 1 76 76 VAL HA H 76 4.660 4.660 5.053 -0.393 19533 398 1 1 . 1 1 76 76 VAL C C 76 174.120 174.120 174.410 -0.290 19533 399 1 1 . 1 1 76 76 VAL CA C 76 61.070 61.070 59.962 1.108 19533 400 1 1 . 1 1 76 76 VAL CB C 76 32.960 32.960 34.682 -1.722 19533 401 1 1 . 1 1 76 76 VAL H H 76 7.460 7.460 7.369 0.091 19533 402 1 1 . 1 1 77 77 ASP N N 77 128.070 128.070 122.883 5.187 19533 403 1 1 . 1 1 77 77 ASP HA H 77 4.970 4.970 4.934 0.036 19533 404 1 1 . 1 1 77 77 ASP C C 77 175.020 175.020 174.518 0.502 19533 405 1 1 . 1 1 77 77 ASP CA C 77 53.550 53.550 52.434 1.116 19533 406 1 1 . 1 1 77 77 ASP CB C 77 43.840 43.840 44.512 -0.672 19533 407 1 1 . 1 1 77 77 ASP H H 77 8.950 8.950 8.400 0.550 19533 408 1 1 . 1 1 78 78 VAL N N 78 122.000 122.000 117.145 4.855 19533 409 1 1 . 1 1 78 78 VAL HA H 78 4.850 4.850 5.347 -0.497 19533 410 1 1 . 1 1 78 78 VAL C C 78 174.280 174.280 174.363 -0.083 19533 411 1 1 . 1 1 78 78 VAL CA C 78 60.720 60.720 59.888 0.832 19533 412 1 1 . 1 1 78 78 VAL CB C 78 34.600 34.600 35.864 -1.264 19533 413 1 1 . 1 1 78 78 VAL H H 78 8.460 8.460 8.212 0.248 19533 414 1 1 . 1 1 79 79 GLU N N 79 127.380 127.380 123.174 4.206 19533 415 1 1 . 1 1 79 79 GLU CA C 79 54.800 54.800 55.261 -0.461 19533 416 1 1 . 1 1 79 79 GLU CB C 79 33.610 33.610 32.335 1.275 19533 417 1 1 . 1 1 79 79 GLU H H 79 8.820 8.820 8.172 0.648 19533 418 1 2 . 1 1 3 3 GLY C C 3 174.400 174.400 174.076 0.324 19533 419 1 2 . 1 1 3 3 GLY CA C 3 45.570 45.570 44.145 1.425 19533 420 1 2 . 1 1 4 4 GLY N N 4 109.110 109.110 105.871 3.239 19533 421 1 2 . 1 1 4 4 GLY C C 4 174.070 174.070 174.277 -0.207 19533 422 1 2 . 1 1 4 4 GLY CA C 4 45.410 45.410 44.879 0.531 19533 423 1 2 . 1 1 4 4 GLY H H 4 8.380 8.380 8.564 -0.184 19533 424 1 2 . 1 1 5 5 GLN N N 5 119.810 119.810 119.811 -0.001 19533 425 1 2 . 1 1 5 5 GLN HA H 5 4.470 4.470 4.583 -0.113 19533 426 1 2 . 1 1 5 5 GLN C C 5 174.980 174.980 174.349 0.631 19533 427 1 2 . 1 1 5 5 GLN CA C 5 56.300 56.300 54.808 1.492 19533 428 1 2 . 1 1 5 5 GLN CB C 5 30.080 30.080 31.055 -0.975 19533 429 1 2 . 1 1 5 5 GLN H H 5 8.280 8.280 8.119 0.161 19533 430 1 2 . 1 1 6 6 LYS N N 6 120.240 120.240 119.110 1.130 19533 431 1 2 . 1 1 6 6 LYS HA H 6 5.080 5.080 5.224 -0.144 19533 432 1 2 . 1 1 6 6 LYS C C 6 175.110 175.110 175.161 -0.051 19533 433 1 2 . 1 1 6 6 LYS CA C 6 55.330 55.330 54.706 0.624 19533 434 1 2 . 1 1 6 6 LYS CB C 6 35.450 35.450 35.502 -0.052 19533 435 1 2 . 1 1 6 6 LYS H H 6 8.080 8.080 8.310 -0.230 19533 436 1 2 . 1 1 7 7 ILE N N 7 120.690 120.690 122.633 -1.943 19533 437 1 2 . 1 1 7 7 ILE HA H 7 4.540 4.540 4.404 0.136 19533 438 1 2 . 1 1 7 7 ILE C C 7 173.880 173.880 175.014 -1.134 19533 439 1 2 . 1 1 7 7 ILE CA C 7 60.520 60.520 60.019 0.501 19533 440 1 2 . 1 1 7 7 ILE CB C 7 40.830 40.830 41.408 -0.578 19533 441 1 2 . 1 1 7 7 ILE H H 7 8.770 8.770 8.325 0.445 19533 442 1 2 . 1 1 8 8 ARG N N 8 127.060 127.060 124.034 3.026 19533 443 1 2 . 1 1 8 8 ARG HA H 8 5.330 5.330 5.273 0.057 19533 444 1 2 . 1 1 8 8 ARG C C 8 174.690 174.690 175.348 -0.658 19533 445 1 2 . 1 1 8 8 ARG CA C 8 55.070 55.070 54.722 0.348 19533 446 1 2 . 1 1 8 8 ARG CB C 8 32.370 32.370 33.085 -0.715 19533 447 1 2 . 1 1 8 8 ARG H H 8 8.480 8.480 8.489 -0.009 19533 448 1 2 . 1 1 9 9 ILE N N 9 127.670 127.670 123.790 3.880 19533 449 1 2 . 1 1 9 9 ILE HA H 9 4.800 4.800 4.425 0.375 19533 450 1 2 . 1 1 9 9 ILE C C 9 174.380 174.380 174.669 -0.289 19533 451 1 2 . 1 1 9 9 ILE CA C 9 60.240 60.240 60.193 0.047 19533 452 1 2 . 1 1 9 9 ILE CB C 9 39.860 39.860 41.357 -1.497 19533 453 1 2 . 1 1 9 9 ILE H H 9 9.540 9.540 8.709 0.831 19533 454 1 2 . 1 1 10 10 LYS N N 10 127.240 127.240 127.255 -0.015 19533 455 1 2 . 1 1 10 10 LYS HA H 10 5.220 5.220 5.335 -0.115 19533 456 1 2 . 1 1 10 10 LYS C C 10 175.130 175.130 175.788 -0.658 19533 457 1 2 . 1 1 10 10 LYS CA C 10 54.760 54.760 55.351 -0.591 19533 458 1 2 . 1 1 10 10 LYS CB C 10 34.940 34.940 34.572 0.368 19533 459 1 2 . 1 1 10 10 LYS H H 10 9.050 9.050 8.642 0.408 19533 460 1 2 . 1 1 11 11 LEU N N 11 124.480 124.480 125.027 -0.547 19533 461 1 2 . 1 1 11 11 LEU HA H 11 5.450 5.450 5.352 0.098 19533 462 1 2 . 1 1 11 11 LEU C C 11 176.000 176.000 176.035 -0.035 19533 463 1 2 . 1 1 11 11 LEU CA C 11 53.320 53.320 53.756 -0.436 19533 464 1 2 . 1 1 11 11 LEU CB C 11 46.960 46.960 43.751 3.209 19533 465 1 2 . 1 1 11 11 LEU H H 11 8.790 8.790 8.902 -0.112 19533 466 1 2 . 1 1 12 12 LYS N N 12 119.690 119.690 121.374 -1.684 19533 467 1 2 . 1 1 12 12 LYS HA H 12 5.570 5.570 5.255 0.315 19533 468 1 2 . 1 1 12 12 LYS C C 12 174.610 174.610 175.138 -0.528 19533 469 1 2 . 1 1 12 12 LYS CA C 12 54.600 54.600 54.852 -0.252 19533 470 1 2 . 1 1 12 12 LYS CB C 12 36.480 36.480 35.961 0.520 19533 471 1 2 . 1 1 12 12 LYS H H 12 8.550 8.550 8.575 -0.025 19533 472 1 2 . 1 1 13 13 ALA N N 13 120.780 120.780 126.089 -5.309 19533 473 1 2 . 1 1 13 13 ALA HA H 13 4.720 4.720 5.055 -0.335 19533 474 1 2 . 1 1 13 13 ALA C C 13 176.120 176.120 176.211 -0.091 19533 475 1 2 . 1 1 13 13 ALA CA C 13 52.230 52.230 51.855 0.374 19533 476 1 2 . 1 1 13 13 ALA CB C 13 24.780 24.780 21.966 2.814 19533 477 1 2 . 1 1 13 13 ALA H H 13 8.740 8.740 8.132 0.608 19533 478 1 2 . 1 1 14 14 TYR N N 14 117.810 117.810 123.727 -5.917 19533 479 1 2 . 1 1 14 14 TYR HA H 14 4.920 4.920 4.273 0.647 19533 480 1 2 . 1 1 14 14 TYR C C 14 175.960 175.960 175.356 0.604 19533 481 1 2 . 1 1 14 14 TYR CA C 14 59.790 59.790 61.865 -2.075 19533 482 1 2 . 1 1 14 14 TYR CB C 14 38.840 38.840 39.073 -0.233 19533 483 1 2 . 1 1 14 14 TYR H H 14 8.670 8.670 9.002 -0.332 19533 484 1 2 . 1 1 15 15 ASP N N 15 118.650 118.650 115.902 2.748 19533 485 1 2 . 1 1 15 15 ASP HA H 15 4.890 4.890 4.975 -0.085 19533 486 1 2 . 1 1 15 15 ASP C C 15 175.980 175.980 176.994 -1.014 19533 487 1 2 . 1 1 15 15 ASP CA C 15 52.830 52.830 53.692 -0.862 19533 488 1 2 . 1 1 15 15 ASP CB C 15 42.420 42.420 42.255 0.165 19533 489 1 2 . 1 1 15 15 ASP H H 15 7.390 7.390 8.037 -0.647 19533 490 1 2 . 1 1 16 16 HIS N N 16 124.080 124.080 122.756 1.324 19533 491 1 2 . 1 1 16 16 HIS HA H 16 3.830 3.830 4.203 -0.373 19533 492 1 2 . 1 1 16 16 HIS C C 16 176.000 176.000 176.426 -0.426 19533 493 1 2 . 1 1 16 16 HIS CA C 16 59.190 59.190 58.997 0.193 19533 494 1 2 . 1 1 16 16 HIS CB C 16 29.030 29.030 29.296 -0.265 19533 495 1 2 . 1 1 16 16 HIS H H 16 8.190 8.190 8.892 -0.702 19533 496 1 2 . 1 1 17 17 GLU N N 17 121.830 121.830 121.087 0.743 19533 497 1 2 . 1 1 17 17 GLU HA H 17 4.040 4.040 3.728 0.312 19533 498 1 2 . 1 1 17 17 GLU C C 17 179.540 179.540 178.021 1.519 19533 499 1 2 . 1 1 17 17 GLU CA C 17 59.520 59.520 59.548 -0.028 19533 500 1 2 . 1 1 17 17 GLU CB C 17 29.020 29.020 29.052 -0.032 19533 501 1 2 . 1 1 17 17 GLU H H 17 7.740 7.740 7.943 -0.203 19533 502 1 2 . 1 1 18 18 LEU N N 18 121.120 121.120 118.901 2.219 19533 503 1 2 . 1 1 18 18 LEU HA H 18 4.030 4.030 4.084 -0.054 19533 504 1 2 . 1 1 18 18 LEU C C 18 180.600 180.600 179.421 1.179 19533 505 1 2 . 1 1 18 18 LEU CA C 18 57.050 57.050 57.681 -0.631 19533 506 1 2 . 1 1 18 18 LEU CB C 18 42.390 42.390 41.744 0.646 19533 507 1 2 . 1 1 18 18 LEU H H 18 7.510 7.510 7.490 0.020 19533 508 1 2 . 1 1 19 19 LEU N N 19 121.190 121.190 121.139 0.051 19533 509 1 2 . 1 1 19 19 LEU HA H 19 3.750 3.750 3.853 -0.103 19533 510 1 2 . 1 1 19 19 LEU C C 19 177.580 177.580 178.159 -0.579 19533 511 1 2 . 1 1 19 19 LEU CA C 19 57.950 57.950 58.406 -0.456 19533 512 1 2 . 1 1 19 19 LEU CB C 19 42.100 42.100 41.784 0.316 19533 513 1 2 . 1 1 19 19 LEU H H 19 7.780 7.780 7.583 0.197 19533 514 1 2 . 1 1 20 20 ASP N N 20 119.750 119.750 119.130 0.620 19533 515 1 2 . 1 1 20 20 ASP HA H 20 4.490 4.490 4.244 0.246 19533 516 1 2 . 1 1 20 20 ASP C C 20 179.450 179.450 178.488 0.962 19533 517 1 2 . 1 1 20 20 ASP CA C 20 58.070 58.070 57.719 0.351 19533 518 1 2 . 1 1 20 20 ASP CB C 20 40.130 40.130 40.585 -0.455 19533 519 1 2 . 1 1 20 20 ASP H H 20 8.150 8.150 8.680 -0.530 19533 520 1 2 . 1 1 21 21 GLU N N 21 120.710 120.710 119.649 1.061 19533 521 1 2 . 1 1 21 21 GLU HA H 21 4.080 4.080 3.991 0.089 19533 522 1 2 . 1 1 21 21 GLU C C 21 179.370 179.370 178.898 0.472 19533 523 1 2 . 1 1 21 21 GLU CA C 21 59.210 59.210 59.613 -0.403 19533 524 1 2 . 1 1 21 21 GLU CB C 21 29.650 29.650 29.700 -0.050 19533 525 1 2 . 1 1 21 21 GLU H H 21 8.050 8.050 7.873 0.177 19533 526 1 2 . 1 1 22 22 SER N N 22 116.150 116.150 116.666 -0.516 19533 527 1 2 . 1 1 22 22 SER HA H 22 4.090 4.090 4.109 -0.019 19533 528 1 2 . 1 1 22 22 SER C C 22 175.000 175.000 176.741 -1.741 19533 529 1 2 . 1 1 22 22 SER CA C 22 62.900 62.900 61.768 1.132 19533 530 1 2 . 1 1 22 22 SER CB C 22 62.900 62.900 62.978 -0.078 19533 531 1 2 . 1 1 22 22 SER H H 22 7.950 7.950 8.156 -0.206 19533 532 1 2 . 1 1 23 23 ALA N N 23 123.240 123.240 123.973 -0.733 19533 533 1 2 . 1 1 23 23 ALA HA H 23 3.760 3.760 4.045 -0.285 19533 534 1 2 . 1 1 23 23 ALA C C 23 178.540 178.540 179.063 -0.523 19533 535 1 2 . 1 1 23 23 ALA CA C 23 55.190 55.190 55.206 -0.017 19533 536 1 2 . 1 1 23 23 ALA CB C 23 17.870 17.870 18.189 -0.319 19533 537 1 2 . 1 1 23 23 ALA H H 23 8.560 8.560 8.516 0.044 19533 538 1 2 . 1 1 24 24 LYS N N 24 116.780 116.780 118.899 -2.119 19533 539 1 2 . 1 1 24 24 LYS HA H 24 3.840 3.840 3.913 -0.073 19533 540 1 2 . 1 1 24 24 LYS C C 24 178.720 178.720 178.375 0.345 19533 541 1 2 . 1 1 24 24 LYS CA C 24 59.940 59.940 59.705 0.235 19533 542 1 2 . 1 1 24 24 LYS CB C 24 32.250 32.250 32.251 -0.001 19533 543 1 2 . 1 1 24 24 LYS H H 24 7.750 7.750 8.020 -0.270 19533 544 1 2 . 1 1 25 25 LYS N N 25 118.950 118.950 119.545 -0.595 19533 545 1 2 . 1 1 25 25 LYS HA H 25 4.040 4.040 4.058 -0.018 19533 546 1 2 . 1 1 25 25 LYS C C 25 178.720 178.720 179.171 -0.451 19533 547 1 2 . 1 1 25 25 LYS CA C 25 59.000 59.000 59.489 -0.489 19533 548 1 2 . 1 1 25 25 LYS CB C 25 32.120 32.120 32.385 -0.265 19533 549 1 2 . 1 1 25 25 LYS H H 25 7.580 7.580 7.775 -0.195 19533 550 1 2 . 1 1 26 26 ILE N N 26 118.310 118.310 120.288 -1.978 19533 551 1 2 . 1 1 26 26 ILE HA H 26 3.470 3.470 3.729 -0.259 19533 552 1 2 . 1 1 26 26 ILE CA C 26 65.060 65.060 65.196 -0.136 19533 553 1 2 . 1 1 26 26 ILE CB C 26 36.720 36.720 37.940 -1.220 19533 554 1 2 . 1 1 26 26 ILE H H 26 7.610 7.610 8.088 -0.478 19533 555 1 2 . 1 1 27 27 VAL N N 27 118.900 118.900 120.845 -1.945 19533 556 1 2 . 1 1 27 27 VAL HA H 27 3.390 3.390 3.549 -0.159 19533 557 1 2 . 1 1 27 27 VAL C C 27 177.550 177.550 178.291 -0.741 19533 558 1 2 . 1 1 27 27 VAL CA C 27 67.630 67.630 66.883 0.747 19533 559 1 2 . 1 1 27 27 VAL CB C 27 31.420 31.420 30.779 0.641 19533 560 1 2 . 1 1 27 27 VAL H H 27 7.950 7.950 8.499 -0.549 19533 561 1 2 . 1 1 28 28 GLU N N 28 118.800 118.800 119.935 -1.135 19533 562 1 2 . 1 1 28 28 GLU HA H 28 3.980 3.980 4.082 -0.102 19533 563 1 2 . 1 1 28 28 GLU C C 28 180.130 180.130 179.589 0.541 19533 564 1 2 . 1 1 28 28 GLU CA C 28 59.740 59.740 59.511 0.229 19533 565 1 2 . 1 1 28 28 GLU CB C 28 29.380 29.380 29.191 0.189 19533 566 1 2 . 1 1 28 28 GLU H H 28 8.180 8.180 8.165 0.015 19533 567 1 2 . 1 1 29 29 VAL N N 29 120.730 120.730 120.189 0.541 19533 568 1 2 . 1 1 29 29 VAL HA H 29 3.710 3.710 3.725 -0.015 19533 569 1 2 . 1 1 29 29 VAL C C 29 179.240 179.240 177.732 1.508 19533 570 1 2 . 1 1 29 29 VAL CA C 29 66.290 66.290 66.356 -0.066 19533 571 1 2 . 1 1 29 29 VAL CB C 29 31.420 31.420 31.541 -0.121 19533 572 1 2 . 1 1 29 29 VAL H H 29 8.120 8.120 7.686 0.434 19533 573 1 2 . 1 1 30 30 ALA N N 30 123.770 123.770 122.478 1.292 19533 574 1 2 . 1 1 30 30 ALA HA H 30 3.880 3.880 4.031 -0.151 19533 575 1 2 . 1 1 30 30 ALA C C 30 179.630 179.630 179.444 0.186 19533 576 1 2 . 1 1 30 30 ALA CA C 30 55.560 55.560 55.298 0.262 19533 577 1 2 . 1 1 30 30 ALA CB C 30 18.000 18.000 18.277 -0.277 19533 578 1 2 . 1 1 30 30 ALA H H 30 8.310 8.310 8.564 -0.254 19533 579 1 2 . 1 1 31 31 LYS N N 31 118.260 118.260 118.716 -0.456 19533 580 1 2 . 1 1 31 31 LYS HA H 31 4.200 4.200 4.009 0.191 19533 581 1 2 . 1 1 31 31 LYS C C 31 180.710 180.710 177.875 2.835 19533 582 1 2 . 1 1 31 31 LYS CA C 31 59.910 59.910 59.079 0.831 19533 583 1 2 . 1 1 31 31 LYS CB C 31 32.270 32.270 32.289 -0.019 19533 584 1 2 . 1 1 31 31 LYS H H 31 8.710 8.710 8.383 0.327 19533 585 1 2 . 1 1 32 32 SER N N 32 115.760 115.760 111.206 4.554 19533 586 1 2 . 1 1 32 32 SER HA H 32 4.380 4.380 4.281 0.099 19533 587 1 2 . 1 1 32 32 SER C C 32 175.120 175.120 175.150 -0.030 19533 588 1 2 . 1 1 32 32 SER CA C 32 61.300 61.300 59.816 1.484 19533 589 1 2 . 1 1 32 32 SER CB C 32 63.220 63.220 63.517 -0.297 19533 590 1 2 . 1 1 32 32 SER H H 32 8.310 8.310 7.747 0.563 19533 591 1 2 . 1 1 33 33 THR N N 33 108.990 108.990 112.466 -3.476 19533 592 1 2 . 1 1 33 33 THR HA H 33 4.490 4.490 4.436 0.054 19533 593 1 2 . 1 1 33 33 THR C C 33 173.390 173.390 174.654 -1.264 19533 594 1 2 . 1 1 33 33 THR CA C 33 60.910 60.910 61.356 -0.446 19533 595 1 2 . 1 1 33 33 THR CB C 33 68.860 68.860 70.119 -1.259 19533 596 1 2 . 1 1 33 33 THR H H 33 7.330 7.330 7.489 -0.159 19533 597 1 2 . 1 1 34 34 ASN N N 34 115.250 115.250 118.830 -3.580 19533 598 1 2 . 1 1 34 34 ASN HA H 34 4.450 4.450 4.485 -0.035 19533 599 1 2 . 1 1 34 34 ASN C C 34 174.490 174.490 175.808 -1.318 19533 600 1 2 . 1 1 34 34 ASN CA C 34 54.800 54.800 55.098 -0.298 19533 601 1 2 . 1 1 34 34 ASN CB C 34 37.160 37.160 38.673 -1.513 19533 602 1 2 . 1 1 34 34 ASN H H 34 7.910 7.910 8.707 -0.797 19533 603 1 2 . 1 1 35 35 SER N N 35 113.160 113.160 114.672 -1.512 19533 604 1 2 . 1 1 35 35 SER HA H 35 4.830 4.830 4.504 0.326 19533 605 1 2 . 1 1 35 35 SER C C 35 173.250 173.250 173.809 -0.559 19533 606 1 2 . 1 1 35 35 SER CA C 35 58.550 58.550 59.245 -0.695 19533 607 1 2 . 1 1 35 35 SER CB C 35 64.910 64.910 64.543 0.367 19533 608 1 2 . 1 1 35 35 SER H H 35 7.800 7.800 7.636 0.164 19533 609 1 2 . 1 1 36 36 LYS N N 36 123.770 123.770 120.196 3.574 19533 610 1 2 . 1 1 36 36 LYS HA H 36 4.420 4.420 4.702 -0.282 19533 611 1 2 . 1 1 36 36 LYS C C 36 175.270 175.270 175.183 0.087 19533 612 1 2 . 1 1 36 36 LYS CA C 36 56.290 56.290 55.150 1.140 19533 613 1 2 . 1 1 36 36 LYS CB C 36 33.390 33.390 35.814 -2.424 19533 614 1 2 . 1 1 36 36 LYS H H 36 8.390 8.390 8.469 -0.079 19533 615 1 2 . 1 1 37 37 VAL N N 37 119.710 119.710 122.397 -2.687 19533 616 1 2 . 1 1 37 37 VAL HA H 37 5.010 5.010 4.887 0.123 19533 617 1 2 . 1 1 37 37 VAL C C 37 175.120 175.120 174.663 0.457 19533 618 1 2 . 1 1 37 37 VAL CA C 37 59.800 59.800 59.486 0.314 19533 619 1 2 . 1 1 37 37 VAL CB C 37 35.260 35.260 34.394 0.866 19533 620 1 2 . 1 1 37 37 VAL H H 37 8.130 8.130 8.471 -0.341 19533 621 1 2 . 1 1 38 38 SER N N 38 121.650 121.650 122.101 -0.451 19533 622 1 2 . 1 1 38 38 SER HA H 38 4.810 4.810 4.891 -0.081 19533 623 1 2 . 1 1 38 38 SER C C 38 173.290 173.290 173.084 0.206 19533 624 1 2 . 1 1 38 38 SER CA C 38 56.930 56.930 56.709 0.221 19533 625 1 2 . 1 1 38 38 SER CB C 38 64.420 64.420 65.126 -0.706 19533 626 1 2 . 1 1 38 38 SER H H 38 9.060 9.060 9.240 -0.180 19533 627 1 2 . 1 1 39 39 GLY N N 39 112.740 112.740 112.441 0.299 19533 628 1 2 . 1 1 39 39 GLY CA C 39 43.180 43.180 44.663 -1.483 19533 629 1 2 . 1 1 39 39 GLY H H 39 8.430 8.430 8.269 0.161 19533 630 1 2 . 1 1 40 40 PRO HA H 40 4.760 4.760 4.483 0.277 19533 631 1 2 . 1 1 40 40 PRO C C 40 175.760 175.760 175.814 -0.054 19533 632 1 2 . 1 1 40 40 PRO CA C 40 61.350 61.350 62.856 -1.506 19533 633 1 2 . 1 1 40 40 PRO CB C 40 34.780 34.780 32.355 2.425 19533 634 1 2 . 1 1 41 41 ILE N N 41 125.440 125.440 122.917 2.523 19533 635 1 2 . 1 1 41 41 ILE HA H 41 4.750 4.750 4.432 0.318 19533 636 1 2 . 1 1 41 41 ILE CA C 41 57.700 57.700 58.553 -0.853 19533 637 1 2 . 1 1 41 41 ILE CB C 41 40.570 40.570 38.647 1.923 19533 638 1 2 . 1 1 41 41 ILE H H 41 9.560 9.560 8.861 0.699 19533 639 1 2 . 1 1 42 42 PRO HA H 42 4.820 4.820 4.517 0.303 19533 640 1 2 . 1 1 42 42 PRO C C 42 175.600 175.600 175.804 -0.204 19533 641 1 2 . 1 1 42 42 PRO CA C 42 62.720 62.720 63.027 -0.307 19533 642 1 2 . 1 1 42 42 PRO CB C 42 31.740 31.740 32.245 -0.505 19533 643 1 2 . 1 1 43 43 LEU N N 43 123.010 123.010 124.150 -1.140 19533 644 1 2 . 1 1 43 43 LEU HA H 43 4.830 4.830 4.859 -0.029 19533 645 1 2 . 1 1 43 43 LEU CA C 43 51.960 51.960 51.670 0.290 19533 646 1 2 . 1 1 43 43 LEU CB C 43 42.460 42.460 43.807 -1.347 19533 647 1 2 . 1 1 43 43 LEU H H 43 7.230 7.230 8.058 -0.828 19533 648 1 2 . 1 1 44 44 PRO HA H 44 4.370 4.370 4.544 -0.174 19533 649 1 2 . 1 1 44 44 PRO C C 44 176.620 176.620 176.041 0.579 19533 650 1 2 . 1 1 44 44 PRO CA C 44 63.660 63.660 62.708 0.952 19533 651 1 2 . 1 1 44 44 PRO CB C 44 31.780 31.780 31.921 -0.141 19533 652 1 2 . 1 1 45 45 THR N N 45 121.280 121.280 113.171 8.109 19533 653 1 2 . 1 1 45 45 THR HA H 45 4.380 4.380 4.706 -0.326 19533 654 1 2 . 1 1 45 45 THR CA C 45 63.240 63.240 60.465 2.775 19533 655 1 2 . 1 1 45 45 THR CB C 45 69.520 69.520 70.492 -0.972 19533 656 1 2 . 1 1 45 45 THR H H 45 8.360 8.360 8.097 0.263 19533 657 1 2 . 1 1 46 46 GLU C C 46 176.830 176.830 175.957 0.873 19533 658 1 2 . 1 1 46 46 GLU CB C 46 24.950 24.950 32.259 -7.309 19533 659 1 2 . 1 1 47 47 SER N N 47 121.430 121.430 121.507 -0.077 19533 660 1 2 . 1 1 47 47 SER HA H 47 4.910 4.910 4.063 0.847 19533 661 1 2 . 1 1 47 47 SER CA C 47 55.810 55.810 59.456 -3.646 19533 662 1 2 . 1 1 47 47 SER CB C 47 64.100 64.100 61.928 2.172 19533 663 1 2 . 1 1 47 47 SER H H 47 7.820 7.820 9.094 -1.274 19533 664 1 2 . 1 1 48 48 ARG HA H 48 3.650 3.650 3.782 -0.132 19533 665 1 2 . 1 1 48 48 ARG C C 48 173.650 173.650 174.213 -0.563 19533 666 1 2 . 1 1 48 48 ARG CA C 48 58.000 58.000 56.899 1.101 19533 667 1 2 . 1 1 48 48 ARG CB C 48 28.170 28.170 28.971 -0.801 19533 668 1 2 . 1 1 49 49 VAL N N 49 119.480 119.480 117.487 1.993 19533 669 1 2 . 1 1 49 49 VAL HA H 49 3.530 3.530 4.003 -0.473 19533 670 1 2 . 1 1 49 49 VAL C C 49 174.680 174.680 175.264 -0.584 19533 671 1 2 . 1 1 49 49 VAL CA C 49 62.880 62.880 60.442 2.438 19533 672 1 2 . 1 1 49 49 VAL CB C 49 32.030 32.030 33.965 -1.935 19533 673 1 2 . 1 1 49 49 VAL H H 49 7.700 7.700 7.672 0.028 19533 674 1 2 . 1 1 50 50 HIS N N 50 128.530 128.530 125.713 2.817 19533 675 1 2 . 1 1 50 50 HIS HA H 50 4.720 4.720 4.890 -0.170 19533 676 1 2 . 1 1 50 50 HIS C C 50 175.470 175.470 173.854 1.616 19533 677 1 2 . 1 1 50 50 HIS CA C 50 55.380 55.380 55.207 0.173 19533 678 1 2 . 1 1 50 50 HIS CB C 50 32.950 32.950 32.433 0.517 19533 679 1 2 . 1 1 50 50 HIS H H 50 8.350 8.350 8.290 0.060 19533 680 1 2 . 1 1 51 51 LYS N N 51 117.460 117.460 120.776 -3.316 19533 681 1 2 . 1 1 51 51 LYS HA H 51 5.770 5.770 5.620 0.150 19533 682 1 2 . 1 1 51 51 LYS C C 51 177.900 177.900 175.297 2.603 19533 683 1 2 . 1 1 51 51 LYS CA C 51 55.210 55.210 55.038 0.172 19533 684 1 2 . 1 1 51 51 LYS CB C 51 39.360 39.360 36.380 2.980 19533 685 1 2 . 1 1 51 51 LYS H H 51 8.940 8.940 8.676 0.264 19533 686 1 2 . 1 1 52 52 ARG N N 52 120.830 120.830 120.348 0.482 19533 687 1 2 . 1 1 52 52 ARG HA H 52 5.240 5.240 5.229 0.011 19533 688 1 2 . 1 1 52 52 ARG C C 52 173.860 173.860 174.153 -0.293 19533 689 1 2 . 1 1 52 52 ARG CA C 52 53.070 53.070 54.678 -1.608 19533 690 1 2 . 1 1 52 52 ARG CB C 52 34.830 34.830 34.613 0.217 19533 691 1 2 . 1 1 52 52 ARG H H 52 8.990 8.990 8.435 0.555 19533 692 1 2 . 1 1 53 53 LEU N N 53 122.250 122.250 123.753 -1.503 19533 693 1 2 . 1 1 53 53 LEU HA H 53 5.440 5.440 5.494 -0.054 19533 694 1 2 . 1 1 53 53 LEU C C 53 176.140 176.140 174.839 1.301 19533 695 1 2 . 1 1 53 53 LEU CA C 53 53.800 53.800 52.955 0.845 19533 696 1 2 . 1 1 53 53 LEU CB C 53 46.410 46.410 45.764 0.646 19533 697 1 2 . 1 1 53 53 LEU H H 53 8.880 8.880 9.184 -0.304 19533 698 1 2 . 1 1 54 54 ILE N N 54 124.790 124.790 127.139 -2.349 19533 699 1 2 . 1 1 54 54 ILE HA H 54 4.420 4.420 4.611 -0.191 19533 700 1 2 . 1 1 54 54 ILE C C 54 173.160 173.160 174.769 -1.609 19533 701 1 2 . 1 1 54 54 ILE CA C 54 61.420 61.420 60.364 1.056 19533 702 1 2 . 1 1 54 54 ILE CB C 54 43.480 43.480 40.415 3.065 19533 703 1 2 . 1 1 54 54 ILE H H 54 9.280 9.280 9.100 0.180 19533 704 1 2 . 1 1 55 55 ASP N N 55 126.260 126.260 127.810 -1.550 19533 705 1 2 . 1 1 55 55 ASP HA H 55 5.800 5.800 5.271 0.529 19533 706 1 2 . 1 1 55 55 ASP C C 55 175.300 175.300 175.438 -0.138 19533 707 1 2 . 1 1 55 55 ASP CA C 55 53.120 53.120 53.170 -0.050 19533 708 1 2 . 1 1 55 55 ASP CB C 55 43.530 43.530 42.777 0.753 19533 709 1 2 . 1 1 55 55 ASP H H 55 8.560 8.560 8.674 -0.114 19533 710 1 2 . 1 1 56 56 ILE N N 56 122.260 122.260 122.015 0.245 19533 711 1 2 . 1 1 56 56 ILE HA H 56 4.620 4.620 4.740 -0.120 19533 712 1 2 . 1 1 56 56 ILE C C 56 174.610 174.610 174.773 -0.163 19533 713 1 2 . 1 1 56 56 ILE CA C 56 60.160 60.160 60.325 -0.165 19533 714 1 2 . 1 1 56 56 ILE CB C 56 38.520 38.520 40.719 -2.200 19533 715 1 2 . 1 1 56 56 ILE H H 56 9.100 9.100 8.694 0.406 19533 716 1 2 . 1 1 57 57 ILE N N 57 128.860 128.860 125.697 3.163 19533 717 1 2 . 1 1 57 57 ILE HA H 57 4.200 4.200 4.417 -0.217 19533 718 1 2 . 1 1 57 57 ILE C C 57 174.350 174.350 175.486 -1.136 19533 719 1 2 . 1 1 57 57 ILE CA C 57 60.810 60.810 60.063 0.747 19533 720 1 2 . 1 1 57 57 ILE CB C 57 39.300 39.300 40.834 -1.534 19533 721 1 2 . 1 1 57 57 ILE H H 57 8.480 8.480 9.262 -0.782 19533 722 1 2 . 1 1 58 58 ASP N N 58 122.140 122.140 123.436 -1.296 19533 723 1 2 . 1 1 58 58 ASP HA H 58 4.450 4.450 4.382 0.068 19533 724 1 2 . 1 1 58 58 ASP CA C 58 55.110 55.110 54.328 0.782 19533 725 1 2 . 1 1 58 58 ASP CB C 58 39.500 39.500 40.744 -1.244 19533 726 1 2 . 1 1 58 58 ASP H H 58 8.760 8.760 8.326 0.434 19533 727 1 2 . 1 1 59 59 PRO HA H 59 4.430 4.430 4.422 0.008 19533 728 1 2 . 1 1 59 59 PRO C C 59 176.690 176.690 176.373 0.317 19533 729 1 2 . 1 1 59 59 PRO CA C 59 62.260 62.260 62.932 -0.672 19533 730 1 2 . 1 1 59 59 PRO CB C 59 31.590 31.590 32.556 -0.966 19533 731 1 2 . 1 1 60 60 SER N N 60 117.890 117.890 117.170 0.720 19533 732 1 2 . 1 1 60 60 SER HA H 60 4.920 4.920 4.860 0.060 19533 733 1 2 . 1 1 60 60 SER CA C 60 56.020 56.020 55.567 0.453 19533 734 1 2 . 1 1 60 60 SER CB C 60 64.140 64.140 64.289 -0.149 19533 735 1 2 . 1 1 60 60 SER H H 60 8.050 8.050 7.775 0.275 19533 736 1 2 . 1 1 61 61 PRO HA H 61 4.240 4.240 4.377 -0.137 19533 737 1 2 . 1 1 61 61 PRO CA C 61 66.000 66.000 64.903 1.097 19533 738 1 2 . 1 1 61 61 PRO CB C 61 32.100 32.100 31.801 0.299 19533 739 1 2 . 1 1 62 62 LYS HA H 62 4.150 4.150 4.177 -0.027 19533 740 1 2 . 1 1 62 62 LYS C C 62 179.040 179.040 178.732 0.308 19533 741 1 2 . 1 1 62 62 LYS CA C 62 58.690 58.690 59.330 -0.640 19533 742 1 2 . 1 1 62 62 LYS CB C 62 32.330 32.330 31.884 0.446 19533 743 1 2 . 1 1 63 63 THR N N 63 118.760 118.760 115.878 2.882 19533 744 1 2 . 1 1 63 63 THR HA H 63 3.880 3.880 4.128 -0.248 19533 745 1 2 . 1 1 63 63 THR C C 63 175.480 175.480 176.137 -0.657 19533 746 1 2 . 1 1 63 63 THR CA C 63 66.680 66.680 66.502 0.178 19533 747 1 2 . 1 1 63 63 THR CB C 63 68.380 68.380 68.432 -0.052 19533 748 1 2 . 1 1 63 63 THR H H 63 7.940 7.940 7.490 0.450 19533 749 1 2 . 1 1 64 64 ILE N N 64 119.800 119.800 121.930 -2.130 19533 750 1 2 . 1 1 64 64 ILE HA H 64 3.460 3.460 3.689 -0.229 19533 751 1 2 . 1 1 64 64 ILE C C 64 176.830 176.830 177.417 -0.587 19533 752 1 2 . 1 1 64 64 ILE CA C 64 65.180 65.180 65.098 0.082 19533 753 1 2 . 1 1 64 64 ILE CB C 64 36.720 36.720 37.568 -0.848 19533 754 1 2 . 1 1 64 64 ILE H H 64 7.620 7.620 7.373 0.247 19533 755 1 2 . 1 1 65 65 ASP N N 65 118.090 118.090 119.946 -1.856 19533 756 1 2 . 1 1 65 65 ASP HA H 65 4.220 4.220 4.313 -0.093 19533 757 1 2 . 1 1 65 65 ASP C C 65 177.620 177.620 178.506 -0.886 19533 758 1 2 . 1 1 65 65 ASP CA C 65 57.910 57.910 57.386 0.524 19533 759 1 2 . 1 1 65 65 ASP CB C 65 42.150 42.150 40.032 2.118 19533 760 1 2 . 1 1 65 65 ASP H H 65 7.790 7.790 7.845 -0.055 19533 761 1 2 . 1 1 66 66 ALA N N 66 118.370 118.370 122.079 -3.709 19533 762 1 2 . 1 1 66 66 ALA HA H 66 3.950 3.950 4.132 -0.182 19533 763 1 2 . 1 1 66 66 ALA C C 66 181.140 181.140 179.599 1.541 19533 764 1 2 . 1 1 66 66 ALA CA C 66 54.970 54.970 54.882 0.088 19533 765 1 2 . 1 1 66 66 ALA CB C 66 18.670 18.670 18.527 0.143 19533 766 1 2 . 1 1 66 66 ALA H H 66 7.620 7.620 7.597 0.023 19533 767 1 2 . 1 1 67 67 LEU N N 67 118.030 118.030 119.662 -1.632 19533 768 1 2 . 1 1 67 67 LEU HA H 67 3.950 3.950 3.966 -0.016 19533 769 1 2 . 1 1 67 67 LEU C C 67 178.210 178.210 178.370 -0.160 19533 770 1 2 . 1 1 67 67 LEU CA C 67 57.420 57.420 57.944 -0.524 19533 771 1 2 . 1 1 67 67 LEU CB C 67 42.100 42.100 42.111 -0.011 19533 772 1 2 . 1 1 67 67 LEU H H 67 8.180 8.180 7.543 0.637 19533 773 1 2 . 1 1 68 68 MET N N 68 114.280 114.280 115.854 -1.574 19533 774 1 2 . 1 1 68 68 MET HA H 68 4.260 4.260 4.148 0.112 19533 775 1 2 . 1 1 68 68 MET C C 68 177.050 177.050 178.486 -1.436 19533 776 1 2 . 1 1 68 68 MET CA C 68 56.990 56.990 58.174 -1.184 19533 777 1 2 . 1 1 68 68 MET CB C 68 32.390 32.390 32.657 -0.267 19533 778 1 2 . 1 1 68 68 MET H H 68 7.770 7.770 7.789 -0.019 19533 779 1 2 . 1 1 69 69 ARG N N 69 115.480 115.480 117.453 -1.973 19533 780 1 2 . 1 1 69 69 ARG HA H 69 4.410 4.410 4.254 0.156 19533 781 1 2 . 1 1 69 69 ARG C C 69 176.480 176.480 177.138 -0.658 19533 782 1 2 . 1 1 69 69 ARG CA C 69 55.560 55.560 57.888 -2.328 19533 783 1 2 . 1 1 69 69 ARG CB C 69 30.970 30.970 31.063 -0.093 19533 784 1 2 . 1 1 69 69 ARG H H 69 7.180 7.180 7.517 -0.337 19533 785 1 2 . 1 1 70 70 ILE N N 70 119.930 119.930 119.707 0.223 19533 786 1 2 . 1 1 70 70 ILE HA H 70 3.930 3.930 4.124 -0.194 19533 787 1 2 . 1 1 70 70 ILE CA C 70 62.270 62.270 60.562 1.708 19533 788 1 2 . 1 1 70 70 ILE CB C 70 39.050 39.050 39.023 0.027 19533 789 1 2 . 1 1 70 70 ILE H H 70 7.070 7.070 7.721 -0.651 19533 790 1 2 . 1 1 71 71 ASN HA H 71 4.860 4.860 4.865 -0.005 19533 791 1 2 . 1 1 71 71 ASN C C 71 174.190 174.190 175.228 -1.038 19533 792 1 2 . 1 1 71 71 ASN CA C 71 52.330 52.330 51.850 0.480 19533 793 1 2 . 1 1 71 71 ASN CB C 71 39.180 39.180 39.747 -0.567 19533 794 1 2 . 1 1 72 72 LEU N N 72 125.700 125.700 123.327 2.373 19533 795 1 2 . 1 1 72 72 LEU HA H 72 4.610 4.610 4.555 0.055 19533 796 1 2 . 1 1 72 72 LEU CA C 72 52.410 52.410 53.383 -0.973 19533 797 1 2 . 1 1 72 72 LEU CB C 72 41.670 41.670 40.747 0.923 19533 798 1 2 . 1 1 72 72 LEU H H 72 8.440 8.440 8.280 0.160 19533 799 1 2 . 1 1 73 73 PRO HA H 73 4.420 4.420 4.433 -0.013 19533 800 1 2 . 1 1 73 73 PRO C C 73 176.110 176.110 176.506 -0.396 19533 801 1 2 . 1 1 73 73 PRO CA C 73 62.240 62.240 62.424 -0.184 19533 802 1 2 . 1 1 73 73 PRO CB C 73 32.450 32.450 32.340 0.110 19533 803 1 2 . 1 1 74 74 ALA N N 74 123.290 123.290 123.467 -0.177 19533 804 1 2 . 1 1 74 74 ALA HA H 74 4.170 4.170 4.075 0.095 19533 805 1 2 . 1 1 74 74 ALA C C 74 178.430 178.430 178.841 -0.411 19533 806 1 2 . 1 1 74 74 ALA CA C 74 53.550 53.550 53.117 0.433 19533 807 1 2 . 1 1 74 74 ALA CB C 74 18.300 18.300 18.767 -0.467 19533 808 1 2 . 1 1 74 74 ALA H H 74 8.160 8.160 8.236 -0.076 19533 809 1 2 . 1 1 75 75 GLY N N 75 106.750 106.750 108.663 -1.913 19533 810 1 2 . 1 1 75 75 GLY C C 75 174.140 174.140 173.422 0.718 19533 811 1 2 . 1 1 75 75 GLY CA C 75 45.020 45.020 45.211 -0.191 19533 812 1 2 . 1 1 75 75 GLY H H 75 8.420 8.420 8.527 -0.107 19533 813 1 2 . 1 1 76 76 VAL N N 76 120.550 120.550 118.982 1.568 19533 814 1 2 . 1 1 76 76 VAL HA H 76 4.660 4.660 5.274 -0.614 19533 815 1 2 . 1 1 76 76 VAL C C 76 174.120 174.120 174.449 -0.329 19533 816 1 2 . 1 1 76 76 VAL CA C 76 61.070 61.070 60.385 0.685 19533 817 1 2 . 1 1 76 76 VAL CB C 76 32.960 32.960 34.952 -1.992 19533 818 1 2 . 1 1 76 76 VAL H H 76 7.460 7.460 7.338 0.122 19533 819 1 2 . 1 1 77 77 ASP N N 77 128.070 128.070 124.258 3.812 19533 820 1 2 . 1 1 77 77 ASP HA H 77 4.970 4.970 5.018 -0.048 19533 821 1 2 . 1 1 77 77 ASP C C 77 175.020 175.020 174.384 0.636 19533 822 1 2 . 1 1 77 77 ASP CA C 77 53.550 53.550 52.202 1.348 19533 823 1 2 . 1 1 77 77 ASP CB C 77 43.840 43.840 44.163 -0.323 19533 824 1 2 . 1 1 77 77 ASP H H 77 8.950 8.950 8.601 0.349 19533 825 1 2 . 1 1 78 78 VAL N N 78 122.000 122.000 116.392 5.608 19533 826 1 2 . 1 1 78 78 VAL HA H 78 4.850 4.850 5.248 -0.398 19533 827 1 2 . 1 1 78 78 VAL C C 78 174.280 174.280 174.098 0.182 19533 828 1 2 . 1 1 78 78 VAL CA C 78 60.720 60.720 59.130 1.590 19533 829 1 2 . 1 1 78 78 VAL CB C 78 34.600 34.600 35.274 -0.674 19533 830 1 2 . 1 1 78 78 VAL H H 78 8.460 8.460 8.198 0.262 19533 831 1 2 . 1 1 79 79 GLU N N 79 127.380 127.380 123.422 3.958 19533 832 1 2 . 1 1 79 79 GLU CA C 79 54.800 54.800 55.391 -0.591 19533 833 1 2 . 1 1 79 79 GLU CB C 79 33.610 33.610 32.233 1.377 19533 834 1 2 . 1 1 79 79 GLU H H 79 8.820 8.820 8.195 0.625 19533 835 1 3 . 1 1 3 3 GLY C C 3 174.400 174.400 175.006 -0.606 19533 836 1 3 . 1 1 3 3 GLY CA C 3 45.570 45.570 44.886 0.684 19533 837 1 3 . 1 1 4 4 GLY N N 4 109.110 109.110 108.180 0.930 19533 838 1 3 . 1 1 4 4 GLY C C 4 174.070 174.070 174.037 0.033 19533 839 1 3 . 1 1 4 4 GLY CA C 4 45.410 45.410 45.725 -0.315 19533 840 1 3 . 1 1 4 4 GLY H H 4 8.380 8.380 8.168 0.212 19533 841 1 3 . 1 1 5 5 GLN N N 5 119.810 119.810 120.454 -0.644 19533 842 1 3 . 1 1 5 5 GLN HA H 5 4.470 4.470 4.492 -0.022 19533 843 1 3 . 1 1 5 5 GLN C C 5 174.980 174.980 174.528 0.452 19533 844 1 3 . 1 1 5 5 GLN CA C 5 56.300 56.300 54.843 1.457 19533 845 1 3 . 1 1 5 5 GLN CB C 5 30.080 30.080 29.544 0.536 19533 846 1 3 . 1 1 5 5 GLN H H 5 8.280 8.280 7.976 0.304 19533 847 1 3 . 1 1 6 6 LYS N N 6 120.240 120.240 124.636 -4.396 19533 848 1 3 . 1 1 6 6 LYS HA H 6 5.080 5.080 5.017 0.063 19533 849 1 3 . 1 1 6 6 LYS C C 6 175.110 175.110 175.678 -0.568 19533 850 1 3 . 1 1 6 6 LYS CA C 6 55.330 55.330 54.832 0.498 19533 851 1 3 . 1 1 6 6 LYS CB C 6 35.450 35.450 35.252 0.198 19533 852 1 3 . 1 1 6 6 LYS H H 6 8.080 8.080 8.423 -0.343 19533 853 1 3 . 1 1 7 7 ILE N N 7 120.690 120.690 123.090 -2.400 19533 854 1 3 . 1 1 7 7 ILE HA H 7 4.540 4.540 4.378 0.162 19533 855 1 3 . 1 1 7 7 ILE C C 7 173.880 173.880 174.767 -0.887 19533 856 1 3 . 1 1 7 7 ILE CA C 7 60.520 60.520 60.123 0.397 19533 857 1 3 . 1 1 7 7 ILE CB C 7 40.830 40.830 41.002 -0.171 19533 858 1 3 . 1 1 7 7 ILE H H 7 8.770 8.770 8.689 0.081 19533 859 1 3 . 1 1 8 8 ARG N N 8 127.060 127.060 124.902 2.158 19533 860 1 3 . 1 1 8 8 ARG HA H 8 5.330 5.330 5.415 -0.085 19533 861 1 3 . 1 1 8 8 ARG C C 8 174.690 174.690 175.344 -0.654 19533 862 1 3 . 1 1 8 8 ARG CA C 8 55.070 55.070 54.520 0.550 19533 863 1 3 . 1 1 8 8 ARG CB C 8 32.370 32.370 33.435 -1.065 19533 864 1 3 . 1 1 8 8 ARG H H 8 8.480 8.480 8.506 -0.026 19533 865 1 3 . 1 1 9 9 ILE N N 9 127.670 127.670 123.143 4.527 19533 866 1 3 . 1 1 9 9 ILE HA H 9 4.800 4.800 4.305 0.495 19533 867 1 3 . 1 1 9 9 ILE C C 9 174.380 174.380 174.558 -0.178 19533 868 1 3 . 1 1 9 9 ILE CA C 9 60.240 60.240 60.362 -0.122 19533 869 1 3 . 1 1 9 9 ILE CB C 9 39.860 39.860 41.241 -1.381 19533 870 1 3 . 1 1 9 9 ILE H H 9 9.540 9.540 8.722 0.818 19533 871 1 3 . 1 1 10 10 LYS N N 10 127.240 127.240 127.356 -0.116 19533 872 1 3 . 1 1 10 10 LYS HA H 10 5.220 5.220 5.305 -0.085 19533 873 1 3 . 1 1 10 10 LYS C C 10 175.130 175.130 175.130 0.000 19533 874 1 3 . 1 1 10 10 LYS CA C 10 54.760 54.760 54.666 0.094 19533 875 1 3 . 1 1 10 10 LYS CB C 10 34.940 34.940 35.073 -0.133 19533 876 1 3 . 1 1 10 10 LYS H H 10 9.050 9.050 8.189 0.861 19533 877 1 3 . 1 1 11 11 LEU N N 11 124.480 124.480 127.821 -3.341 19533 878 1 3 . 1 1 11 11 LEU HA H 11 5.450 5.450 5.138 0.312 19533 879 1 3 . 1 1 11 11 LEU C C 11 176.000 176.000 176.201 -0.201 19533 880 1 3 . 1 1 11 11 LEU CA C 11 53.320 53.320 53.904 -0.584 19533 881 1 3 . 1 1 11 11 LEU CB C 11 46.960 46.960 42.829 4.131 19533 882 1 3 . 1 1 11 11 LEU H H 11 8.790 8.790 8.953 -0.163 19533 883 1 3 . 1 1 12 12 LYS N N 12 119.690 119.690 123.588 -3.898 19533 884 1 3 . 1 1 12 12 LYS HA H 12 5.570 5.570 5.045 0.525 19533 885 1 3 . 1 1 12 12 LYS C C 12 174.610 174.610 175.094 -0.484 19533 886 1 3 . 1 1 12 12 LYS CA C 12 54.600 54.600 54.943 -0.343 19533 887 1 3 . 1 1 12 12 LYS CB C 12 36.480 36.480 34.873 1.607 19533 888 1 3 . 1 1 12 12 LYS H H 12 8.550 8.550 8.688 -0.138 19533 889 1 3 . 1 1 13 13 ALA N N 13 120.780 120.780 125.895 -5.115 19533 890 1 3 . 1 1 13 13 ALA HA H 13 4.720 4.720 4.796 -0.076 19533 891 1 3 . 1 1 13 13 ALA C C 13 176.120 176.120 176.490 -0.370 19533 892 1 3 . 1 1 13 13 ALA CA C 13 52.230 52.230 51.749 0.481 19533 893 1 3 . 1 1 13 13 ALA CB C 13 24.780 24.780 21.862 2.918 19533 894 1 3 . 1 1 13 13 ALA H H 13 8.740 8.740 7.951 0.789 19533 895 1 3 . 1 1 14 14 TYR N N 14 117.810 117.810 121.123 -3.313 19533 896 1 3 . 1 1 14 14 TYR HA H 14 4.920 4.920 4.498 0.422 19533 897 1 3 . 1 1 14 14 TYR C C 14 175.960 175.960 176.225 -0.265 19533 898 1 3 . 1 1 14 14 TYR CA C 14 59.790 59.790 60.954 -1.164 19533 899 1 3 . 1 1 14 14 TYR CB C 14 38.840 38.840 38.855 -0.015 19533 900 1 3 . 1 1 14 14 TYR H H 14 8.670 8.670 8.763 -0.093 19533 901 1 3 . 1 1 15 15 ASP N N 15 118.650 118.650 116.993 1.657 19533 902 1 3 . 1 1 15 15 ASP HA H 15 4.890 4.890 4.828 0.062 19533 903 1 3 . 1 1 15 15 ASP C C 15 175.980 175.980 177.096 -1.116 19533 904 1 3 . 1 1 15 15 ASP CA C 15 52.830 52.830 52.955 -0.125 19533 905 1 3 . 1 1 15 15 ASP CB C 15 42.420 42.420 41.565 0.855 19533 906 1 3 . 1 1 15 15 ASP H H 15 7.390 7.390 7.985 -0.595 19533 907 1 3 . 1 1 16 16 HIS N N 16 124.080 124.080 125.021 -0.941 19533 908 1 3 . 1 1 16 16 HIS HA H 16 3.830 3.830 4.294 -0.464 19533 909 1 3 . 1 1 16 16 HIS C C 16 176.000 176.000 176.558 -0.558 19533 910 1 3 . 1 1 16 16 HIS CA C 16 59.190 59.190 58.869 0.321 19533 911 1 3 . 1 1 16 16 HIS CB C 16 29.030 29.030 28.899 0.131 19533 912 1 3 . 1 1 16 16 HIS H H 16 8.190 8.190 8.961 -0.771 19533 913 1 3 . 1 1 17 17 GLU N N 17 121.830 121.830 119.865 1.965 19533 914 1 3 . 1 1 17 17 GLU HA H 17 4.040 4.040 3.790 0.250 19533 915 1 3 . 1 1 17 17 GLU C C 17 179.540 179.540 178.881 0.659 19533 916 1 3 . 1 1 17 17 GLU CA C 17 59.520 59.520 58.661 0.859 19533 917 1 3 . 1 1 17 17 GLU CB C 17 29.020 29.020 28.919 0.101 19533 918 1 3 . 1 1 17 17 GLU H H 17 7.740 7.740 7.375 0.365 19533 919 1 3 . 1 1 18 18 LEU N N 18 121.120 121.120 119.197 1.923 19533 920 1 3 . 1 1 18 18 LEU HA H 18 4.030 4.030 4.012 0.018 19533 921 1 3 . 1 1 18 18 LEU C C 18 180.600 180.600 179.027 1.573 19533 922 1 3 . 1 1 18 18 LEU CA C 18 57.050 57.050 57.399 -0.349 19533 923 1 3 . 1 1 18 18 LEU CB C 18 42.390 42.390 41.634 0.756 19533 924 1 3 . 1 1 18 18 LEU H H 18 7.510 7.510 7.257 0.253 19533 925 1 3 . 1 1 19 19 LEU N N 19 121.190 121.190 119.473 1.717 19533 926 1 3 . 1 1 19 19 LEU HA H 19 3.750 3.750 3.943 -0.193 19533 927 1 3 . 1 1 19 19 LEU C C 19 177.580 177.580 179.068 -1.488 19533 928 1 3 . 1 1 19 19 LEU CA C 19 57.950 57.950 57.695 0.255 19533 929 1 3 . 1 1 19 19 LEU CB C 19 42.100 42.100 41.225 0.875 19533 930 1 3 . 1 1 19 19 LEU H H 19 7.780 7.780 7.370 0.410 19533 931 1 3 . 1 1 20 20 ASP N N 20 119.750 119.750 119.606 0.144 19533 932 1 3 . 1 1 20 20 ASP HA H 20 4.490 4.490 4.314 0.176 19533 933 1 3 . 1 1 20 20 ASP C C 20 179.450 179.450 178.509 0.941 19533 934 1 3 . 1 1 20 20 ASP CA C 20 58.070 58.070 57.648 0.422 19533 935 1 3 . 1 1 20 20 ASP CB C 20 40.130 40.130 40.579 -0.449 19533 936 1 3 . 1 1 20 20 ASP H H 20 8.150 8.150 7.886 0.264 19533 937 1 3 . 1 1 21 21 GLU N N 21 120.710 120.710 119.597 1.113 19533 938 1 3 . 1 1 21 21 GLU HA H 21 4.080 4.080 4.029 0.051 19533 939 1 3 . 1 1 21 21 GLU C C 21 179.370 179.370 179.221 0.149 19533 940 1 3 . 1 1 21 21 GLU CA C 21 59.210 59.210 59.446 -0.236 19533 941 1 3 . 1 1 21 21 GLU CB C 21 29.650 29.650 29.644 0.006 19533 942 1 3 . 1 1 21 21 GLU H H 21 8.050 8.050 7.759 0.291 19533 943 1 3 . 1 1 22 22 SER N N 22 116.150 116.150 116.639 -0.489 19533 944 1 3 . 1 1 22 22 SER HA H 22 4.090 4.090 4.136 -0.046 19533 945 1 3 . 1 1 22 22 SER C C 22 175.000 175.000 176.624 -1.624 19533 946 1 3 . 1 1 22 22 SER CA C 22 62.900 62.900 61.419 1.481 19533 947 1 3 . 1 1 22 22 SER CB C 22 62.900 62.900 63.015 -0.115 19533 948 1 3 . 1 1 22 22 SER H H 22 7.950 7.950 7.885 0.065 19533 949 1 3 . 1 1 23 23 ALA N N 23 123.240 123.240 124.126 -0.886 19533 950 1 3 . 1 1 23 23 ALA HA H 23 3.760 3.760 4.117 -0.357 19533 951 1 3 . 1 1 23 23 ALA C C 23 178.540 178.540 179.062 -0.522 19533 952 1 3 . 1 1 23 23 ALA CA C 23 55.190 55.190 55.227 -0.037 19533 953 1 3 . 1 1 23 23 ALA CB C 23 17.870 17.870 18.248 -0.379 19533 954 1 3 . 1 1 23 23 ALA H H 23 8.560 8.560 8.117 0.443 19533 955 1 3 . 1 1 24 24 LYS N N 24 116.780 116.780 119.057 -2.277 19533 956 1 3 . 1 1 24 24 LYS HA H 24 3.840 3.840 3.899 -0.059 19533 957 1 3 . 1 1 24 24 LYS C C 24 178.720 178.720 178.890 -0.170 19533 958 1 3 . 1 1 24 24 LYS CA C 24 59.940 59.940 59.900 0.040 19533 959 1 3 . 1 1 24 24 LYS CB C 24 32.250 32.250 32.342 -0.092 19533 960 1 3 . 1 1 24 24 LYS H H 24 7.750 7.750 8.048 -0.298 19533 961 1 3 . 1 1 25 25 LYS N N 25 118.950 118.950 119.157 -0.207 19533 962 1 3 . 1 1 25 25 LYS HA H 25 4.040 4.040 4.036 0.004 19533 963 1 3 . 1 1 25 25 LYS C C 25 178.720 178.720 179.333 -0.613 19533 964 1 3 . 1 1 25 25 LYS CA C 25 59.000 59.000 59.591 -0.591 19533 965 1 3 . 1 1 25 25 LYS CB C 25 32.120 32.120 32.532 -0.412 19533 966 1 3 . 1 1 25 25 LYS H H 25 7.580 7.580 8.115 -0.535 19533 967 1 3 . 1 1 26 26 ILE N N 26 118.310 118.310 120.196 -1.886 19533 968 1 3 . 1 1 26 26 ILE HA H 26 3.470 3.470 3.719 -0.249 19533 969 1 3 . 1 1 26 26 ILE CA C 26 65.060 65.060 65.316 -0.256 19533 970 1 3 . 1 1 26 26 ILE CB C 26 36.720 36.720 37.820 -1.100 19533 971 1 3 . 1 1 26 26 ILE H H 26 7.610 7.610 8.243 -0.633 19533 972 1 3 . 1 1 27 27 VAL N N 27 118.900 118.900 120.921 -2.021 19533 973 1 3 . 1 1 27 27 VAL HA H 27 3.390 3.390 3.579 -0.189 19533 974 1 3 . 1 1 27 27 VAL C C 27 177.550 177.550 178.046 -0.496 19533 975 1 3 . 1 1 27 27 VAL CA C 27 67.630 67.630 67.375 0.255 19533 976 1 3 . 1 1 27 27 VAL CB C 27 31.420 31.420 31.223 0.197 19533 977 1 3 . 1 1 27 27 VAL H H 27 7.950 7.950 8.732 -0.782 19533 978 1 3 . 1 1 28 28 GLU N N 28 118.800 118.800 120.053 -1.253 19533 979 1 3 . 1 1 28 28 GLU HA H 28 3.980 3.980 4.103 -0.123 19533 980 1 3 . 1 1 28 28 GLU C C 28 180.130 180.130 179.362 0.768 19533 981 1 3 . 1 1 28 28 GLU CA C 28 59.740 59.740 59.475 0.265 19533 982 1 3 . 1 1 28 28 GLU CB C 28 29.380 29.380 29.391 -0.011 19533 983 1 3 . 1 1 28 28 GLU H H 28 8.180 8.180 8.362 -0.182 19533 984 1 3 . 1 1 29 29 VAL N N 29 120.730 120.730 119.435 1.295 19533 985 1 3 . 1 1 29 29 VAL HA H 29 3.710 3.710 3.733 -0.023 19533 986 1 3 . 1 1 29 29 VAL C C 29 179.240 179.240 178.109 1.131 19533 987 1 3 . 1 1 29 29 VAL CA C 29 66.290 66.290 66.173 0.117 19533 988 1 3 . 1 1 29 29 VAL CB C 29 31.420 31.420 31.458 -0.038 19533 989 1 3 . 1 1 29 29 VAL H H 29 8.120 8.120 7.893 0.227 19533 990 1 3 . 1 1 30 30 ALA N N 30 123.770 123.770 122.757 1.013 19533 991 1 3 . 1 1 30 30 ALA HA H 30 3.880 3.880 4.009 -0.129 19533 992 1 3 . 1 1 30 30 ALA C C 30 179.630 179.630 179.500 0.130 19533 993 1 3 . 1 1 30 30 ALA CA C 30 55.560 55.560 55.217 0.343 19533 994 1 3 . 1 1 30 30 ALA CB C 30 18.000 18.000 18.271 -0.272 19533 995 1 3 . 1 1 30 30 ALA H H 30 8.310 8.310 8.723 -0.413 19533 996 1 3 . 1 1 31 31 LYS N N 31 118.260 118.260 118.386 -0.126 19533 997 1 3 . 1 1 31 31 LYS HA H 31 4.200 4.200 4.003 0.197 19533 998 1 3 . 1 1 31 31 LYS C C 31 180.710 180.710 178.030 2.680 19533 999 1 3 . 1 1 31 31 LYS CA C 31 59.910 59.910 59.241 0.669 19533 1000 1 3 . 1 1 31 31 LYS CB C 31 32.270 32.270 32.151 0.119 19533 1001 1 3 . 1 1 31 31 LYS H H 31 8.710 8.710 8.456 0.254 19533 1002 1 3 . 1 1 32 32 SER N N 32 115.760 115.760 112.235 3.525 19533 1003 1 3 . 1 1 32 32 SER HA H 32 4.380 4.380 4.330 0.050 19533 1004 1 3 . 1 1 32 32 SER C C 32 175.120 175.120 175.272 -0.152 19533 1005 1 3 . 1 1 32 32 SER CA C 32 61.300 61.300 59.745 1.555 19533 1006 1 3 . 1 1 32 32 SER CB C 32 63.220 63.220 63.480 -0.260 19533 1007 1 3 . 1 1 32 32 SER H H 32 8.310 8.310 7.778 0.532 19533 1008 1 3 . 1 1 33 33 THR N N 33 108.990 108.990 114.171 -5.181 19533 1009 1 3 . 1 1 33 33 THR HA H 33 4.490 4.490 4.422 0.068 19533 1010 1 3 . 1 1 33 33 THR C C 33 173.390 173.390 174.835 -1.445 19533 1011 1 3 . 1 1 33 33 THR CA C 33 60.910 60.910 61.989 -1.079 19533 1012 1 3 . 1 1 33 33 THR CB C 33 68.860 68.860 70.157 -1.298 19533 1013 1 3 . 1 1 33 33 THR H H 33 7.330 7.330 7.587 -0.257 19533 1014 1 3 . 1 1 34 34 ASN N N 34 115.250 115.250 118.456 -3.206 19533 1015 1 3 . 1 1 34 34 ASN HA H 34 4.450 4.450 4.535 -0.085 19533 1016 1 3 . 1 1 34 34 ASN C C 34 174.490 174.490 176.108 -1.618 19533 1017 1 3 . 1 1 34 34 ASN CA C 34 54.800 54.800 54.541 0.259 19533 1018 1 3 . 1 1 34 34 ASN CB C 34 37.160 37.160 38.159 -0.999 19533 1019 1 3 . 1 1 34 34 ASN H H 34 7.910 7.910 8.714 -0.804 19533 1020 1 3 . 1 1 35 35 SER N N 35 113.160 113.160 114.217 -1.057 19533 1021 1 3 . 1 1 35 35 SER HA H 35 4.830 4.830 4.631 0.199 19533 1022 1 3 . 1 1 35 35 SER C C 35 173.250 173.250 173.788 -0.538 19533 1023 1 3 . 1 1 35 35 SER CA C 35 58.550 58.550 58.912 -0.362 19533 1024 1 3 . 1 1 35 35 SER CB C 35 64.910 64.910 64.521 0.389 19533 1025 1 3 . 1 1 35 35 SER H H 35 7.800 7.800 8.052 -0.252 19533 1026 1 3 . 1 1 36 36 LYS N N 36 123.770 123.770 121.494 2.276 19533 1027 1 3 . 1 1 36 36 LYS HA H 36 4.420 4.420 4.679 -0.259 19533 1028 1 3 . 1 1 36 36 LYS C C 36 175.270 175.270 175.452 -0.182 19533 1029 1 3 . 1 1 36 36 LYS CA C 36 56.290 56.290 55.190 1.100 19533 1030 1 3 . 1 1 36 36 LYS CB C 36 33.390 33.390 35.613 -2.223 19533 1031 1 3 . 1 1 36 36 LYS H H 36 8.390 8.390 8.416 -0.026 19533 1032 1 3 . 1 1 37 37 VAL N N 37 119.710 119.710 121.672 -1.962 19533 1033 1 3 . 1 1 37 37 VAL HA H 37 5.010 5.010 4.820 0.190 19533 1034 1 3 . 1 1 37 37 VAL C C 37 175.120 175.120 175.014 0.106 19533 1035 1 3 . 1 1 37 37 VAL CA C 37 59.800 59.800 60.727 -0.927 19533 1036 1 3 . 1 1 37 37 VAL CB C 37 35.260 35.260 34.721 0.539 19533 1037 1 3 . 1 1 37 37 VAL H H 37 8.130 8.130 8.384 -0.254 19533 1038 1 3 . 1 1 38 38 SER N N 38 121.650 121.650 120.209 1.441 19533 1039 1 3 . 1 1 38 38 SER HA H 38 4.810 4.810 4.844 -0.034 19533 1040 1 3 . 1 1 38 38 SER C C 38 173.290 173.290 173.266 0.024 19533 1041 1 3 . 1 1 38 38 SER CA C 38 56.930 56.930 56.565 0.365 19533 1042 1 3 . 1 1 38 38 SER CB C 38 64.420 64.420 65.278 -0.857 19533 1043 1 3 . 1 1 38 38 SER H H 38 9.060 9.060 9.186 -0.126 19533 1044 1 3 . 1 1 39 39 GLY N N 39 112.740 112.740 113.030 -0.290 19533 1045 1 3 . 1 1 39 39 GLY CA C 39 43.180 43.180 44.804 -1.624 19533 1046 1 3 . 1 1 39 39 GLY H H 39 8.430 8.430 8.204 0.226 19533 1047 1 3 . 1 1 40 40 PRO HA H 40 4.760 4.760 4.459 0.301 19533 1048 1 3 . 1 1 40 40 PRO C C 40 175.760 175.760 175.706 0.054 19533 1049 1 3 . 1 1 40 40 PRO CA C 40 61.350 61.350 62.999 -1.649 19533 1050 1 3 . 1 1 40 40 PRO CB C 40 34.780 34.780 32.434 2.346 19533 1051 1 3 . 1 1 41 41 ILE N N 41 125.440 125.440 123.644 1.796 19533 1052 1 3 . 1 1 41 41 ILE HA H 41 4.750 4.750 4.407 0.343 19533 1053 1 3 . 1 1 41 41 ILE CA C 41 57.700 57.700 58.763 -1.063 19533 1054 1 3 . 1 1 41 41 ILE CB C 41 40.570 40.570 38.140 2.430 19533 1055 1 3 . 1 1 41 41 ILE H H 41 9.560 9.560 9.023 0.537 19533 1056 1 3 . 1 1 42 42 PRO HA H 42 4.820 4.820 4.533 0.287 19533 1057 1 3 . 1 1 42 42 PRO C C 42 175.600 175.600 175.822 -0.222 19533 1058 1 3 . 1 1 42 42 PRO CA C 42 62.720 62.720 62.845 -0.125 19533 1059 1 3 . 1 1 42 42 PRO CB C 42 31.740 31.740 32.094 -0.354 19533 1060 1 3 . 1 1 43 43 LEU N N 43 123.010 123.010 126.443 -3.433 19533 1061 1 3 . 1 1 43 43 LEU HA H 43 4.830 4.830 4.819 0.011 19533 1062 1 3 . 1 1 43 43 LEU CA C 43 51.960 51.960 51.538 0.422 19533 1063 1 3 . 1 1 43 43 LEU CB C 43 42.460 42.460 41.976 0.484 19533 1064 1 3 . 1 1 43 43 LEU H H 43 7.230 7.230 8.170 -0.940 19533 1065 1 3 . 1 1 44 44 PRO HA H 44 4.370 4.370 4.515 -0.145 19533 1066 1 3 . 1 1 44 44 PRO C C 44 176.620 176.620 175.929 0.691 19533 1067 1 3 . 1 1 44 44 PRO CA C 44 63.660 63.660 63.011 0.649 19533 1068 1 3 . 1 1 44 44 PRO CB C 44 31.780 31.780 31.946 -0.166 19533 1069 1 3 . 1 1 45 45 THR N N 45 121.280 121.280 118.351 2.929 19533 1070 1 3 . 1 1 45 45 THR HA H 45 4.380 4.380 4.505 -0.125 19533 1071 1 3 . 1 1 45 45 THR CA C 45 63.240 63.240 62.407 0.833 19533 1072 1 3 . 1 1 45 45 THR CB C 45 69.520 69.520 70.165 -0.645 19533 1073 1 3 . 1 1 45 45 THR H H 45 8.360 8.360 8.155 0.205 19533 1074 1 3 . 1 1 46 46 GLU C C 46 176.830 176.830 176.434 0.396 19533 1075 1 3 . 1 1 46 46 GLU CB C 46 24.950 24.950 31.512 -6.562 19533 1076 1 3 . 1 1 47 47 SER N N 47 121.430 121.430 122.840 -1.410 19533 1077 1 3 . 1 1 47 47 SER HA H 47 4.910 4.910 4.041 0.869 19533 1078 1 3 . 1 1 47 47 SER CA C 47 55.810 55.810 60.918 -5.108 19533 1079 1 3 . 1 1 47 47 SER CB C 47 64.100 64.100 62.742 1.357 19533 1080 1 3 . 1 1 47 47 SER H H 47 7.820 7.820 9.117 -1.297 19533 1081 1 3 . 1 1 48 48 ARG HA H 48 3.650 3.650 4.493 -0.843 19533 1082 1 3 . 1 1 48 48 ARG C C 48 173.650 173.650 174.558 -0.908 19533 1083 1 3 . 1 1 48 48 ARG CA C 48 58.000 58.000 55.380 2.620 19533 1084 1 3 . 1 1 48 48 ARG CB C 48 28.170 28.170 32.201 -4.031 19533 1085 1 3 . 1 1 49 49 VAL N N 49 119.480 119.480 120.419 -0.939 19533 1086 1 3 . 1 1 49 49 VAL HA H 49 3.530 3.530 4.226 -0.696 19533 1087 1 3 . 1 1 49 49 VAL C C 49 174.680 174.680 174.151 0.529 19533 1088 1 3 . 1 1 49 49 VAL CA C 49 62.880 62.880 61.285 1.595 19533 1089 1 3 . 1 1 49 49 VAL CB C 49 32.030 32.030 34.132 -2.102 19533 1090 1 3 . 1 1 49 49 VAL H H 49 7.700 7.700 8.511 -0.811 19533 1091 1 3 . 1 1 50 50 HIS N N 50 128.530 128.530 126.536 1.994 19533 1092 1 3 . 1 1 50 50 HIS HA H 50 4.720 4.720 4.971 -0.251 19533 1093 1 3 . 1 1 50 50 HIS C C 50 175.470 175.470 173.956 1.514 19533 1094 1 3 . 1 1 50 50 HIS CA C 50 55.380 55.380 55.102 0.279 19533 1095 1 3 . 1 1 50 50 HIS CB C 50 32.950 32.950 33.120 -0.170 19533 1096 1 3 . 1 1 50 50 HIS H H 50 8.350 8.350 8.455 -0.105 19533 1097 1 3 . 1 1 51 51 LYS N N 51 117.460 117.460 120.407 -2.947 19533 1098 1 3 . 1 1 51 51 LYS HA H 51 5.770 5.770 5.612 0.158 19533 1099 1 3 . 1 1 51 51 LYS C C 51 177.900 177.900 175.717 2.183 19533 1100 1 3 . 1 1 51 51 LYS CA C 51 55.210 55.210 54.630 0.579 19533 1101 1 3 . 1 1 51 51 LYS CB C 51 39.360 39.360 36.174 3.186 19533 1102 1 3 . 1 1 51 51 LYS H H 51 8.940 8.940 8.666 0.274 19533 1103 1 3 . 1 1 52 52 ARG N N 52 120.830 120.830 119.875 0.955 19533 1104 1 3 . 1 1 52 52 ARG HA H 52 5.240 5.240 5.110 0.130 19533 1105 1 3 . 1 1 52 52 ARG C C 52 173.860 173.860 174.088 -0.228 19533 1106 1 3 . 1 1 52 52 ARG CA C 52 53.070 53.070 55.041 -1.971 19533 1107 1 3 . 1 1 52 52 ARG CB C 52 34.830 34.830 34.610 0.220 19533 1108 1 3 . 1 1 52 52 ARG H H 52 8.990 8.990 8.615 0.375 19533 1109 1 3 . 1 1 53 53 LEU N N 53 122.250 122.250 124.533 -2.283 19533 1110 1 3 . 1 1 53 53 LEU HA H 53 5.440 5.440 5.549 -0.109 19533 1111 1 3 . 1 1 53 53 LEU C C 53 176.140 176.140 174.712 1.428 19533 1112 1 3 . 1 1 53 53 LEU CA C 53 53.800 53.800 53.317 0.483 19533 1113 1 3 . 1 1 53 53 LEU CB C 53 46.410 46.410 46.417 -0.007 19533 1114 1 3 . 1 1 53 53 LEU H H 53 8.880 8.880 9.204 -0.324 19533 1115 1 3 . 1 1 54 54 ILE N N 54 124.790 124.790 126.044 -1.254 19533 1116 1 3 . 1 1 54 54 ILE HA H 54 4.420 4.420 4.687 -0.267 19533 1117 1 3 . 1 1 54 54 ILE C C 54 173.160 173.160 174.274 -1.114 19533 1118 1 3 . 1 1 54 54 ILE CA C 54 61.420 61.420 60.138 1.282 19533 1119 1 3 . 1 1 54 54 ILE CB C 54 43.480 43.480 40.556 2.924 19533 1120 1 3 . 1 1 54 54 ILE H H 54 9.280 9.280 8.959 0.321 19533 1121 1 3 . 1 1 55 55 ASP N N 55 126.260 126.260 128.020 -1.760 19533 1122 1 3 . 1 1 55 55 ASP HA H 55 5.800 5.800 5.079 0.721 19533 1123 1 3 . 1 1 55 55 ASP C C 55 175.300 175.300 174.887 0.413 19533 1124 1 3 . 1 1 55 55 ASP CA C 55 53.120 53.120 53.009 0.111 19533 1125 1 3 . 1 1 55 55 ASP CB C 55 43.530 43.530 42.953 0.577 19533 1126 1 3 . 1 1 55 55 ASP H H 55 8.560 8.560 8.556 0.004 19533 1127 1 3 . 1 1 56 56 ILE N N 56 122.260 122.260 124.718 -2.458 19533 1128 1 3 . 1 1 56 56 ILE HA H 56 4.620 4.620 4.733 -0.113 19533 1129 1 3 . 1 1 56 56 ILE C C 56 174.610 174.610 175.222 -0.612 19533 1130 1 3 . 1 1 56 56 ILE CA C 56 60.160 60.160 60.173 -0.013 19533 1131 1 3 . 1 1 56 56 ILE CB C 56 38.520 38.520 40.352 -1.832 19533 1132 1 3 . 1 1 56 56 ILE H H 56 9.100 9.100 8.888 0.212 19533 1133 1 3 . 1 1 57 57 ILE N N 57 128.860 128.860 127.484 1.376 19533 1134 1 3 . 1 1 57 57 ILE HA H 57 4.200 4.200 4.350 -0.150 19533 1135 1 3 . 1 1 57 57 ILE C C 57 174.350 174.350 175.154 -0.804 19533 1136 1 3 . 1 1 57 57 ILE CA C 57 60.810 60.810 60.279 0.531 19533 1137 1 3 . 1 1 57 57 ILE CB C 57 39.300 39.300 40.570 -1.270 19533 1138 1 3 . 1 1 57 57 ILE H H 57 8.480 8.480 9.101 -0.621 19533 1139 1 3 . 1 1 58 58 ASP N N 58 122.140 122.140 123.167 -1.027 19533 1140 1 3 . 1 1 58 58 ASP HA H 58 4.450 4.450 4.380 0.070 19533 1141 1 3 . 1 1 58 58 ASP CA C 58 55.110 55.110 54.303 0.806 19533 1142 1 3 . 1 1 58 58 ASP CB C 58 39.500 39.500 40.646 -1.146 19533 1143 1 3 . 1 1 58 58 ASP H H 58 8.760 8.760 8.695 0.065 19533 1144 1 3 . 1 1 59 59 PRO HA H 59 4.430 4.430 4.486 -0.056 19533 1145 1 3 . 1 1 59 59 PRO C C 59 176.690 176.690 176.251 0.439 19533 1146 1 3 . 1 1 59 59 PRO CA C 59 62.260 62.260 63.184 -0.924 19533 1147 1 3 . 1 1 59 59 PRO CB C 59 31.590 31.590 32.636 -1.046 19533 1148 1 3 . 1 1 60 60 SER N N 60 117.890 117.890 117.136 0.754 19533 1149 1 3 . 1 1 60 60 SER HA H 60 4.920 4.920 4.932 -0.012 19533 1150 1 3 . 1 1 60 60 SER CA C 60 56.020 56.020 55.432 0.588 19533 1151 1 3 . 1 1 60 60 SER CB C 60 64.140 64.140 65.020 -0.880 19533 1152 1 3 . 1 1 60 60 SER H H 60 8.050 8.050 7.914 0.136 19533 1153 1 3 . 1 1 61 61 PRO HA H 61 4.240 4.240 4.364 -0.124 19533 1154 1 3 . 1 1 61 61 PRO CA C 61 66.000 66.000 64.875 1.125 19533 1155 1 3 . 1 1 61 61 PRO CB C 61 32.100 32.100 32.085 0.015 19533 1156 1 3 . 1 1 62 62 LYS HA H 62 4.150 4.150 4.169 -0.019 19533 1157 1 3 . 1 1 62 62 LYS C C 62 179.040 179.040 178.823 0.217 19533 1158 1 3 . 1 1 62 62 LYS CA C 62 58.690 58.690 59.420 -0.730 19533 1159 1 3 . 1 1 62 62 LYS CB C 62 32.330 32.330 31.966 0.364 19533 1160 1 3 . 1 1 63 63 THR N N 63 118.760 118.760 116.073 2.687 19533 1161 1 3 . 1 1 63 63 THR HA H 63 3.880 3.880 4.085 -0.205 19533 1162 1 3 . 1 1 63 63 THR C C 63 175.480 175.480 176.131 -0.651 19533 1163 1 3 . 1 1 63 63 THR CA C 63 66.680 66.680 66.905 -0.225 19533 1164 1 3 . 1 1 63 63 THR CB C 63 68.380 68.380 68.770 -0.390 19533 1165 1 3 . 1 1 63 63 THR H H 63 7.940 7.940 7.455 0.485 19533 1166 1 3 . 1 1 64 64 ILE N N 64 119.800 119.800 121.735 -1.935 19533 1167 1 3 . 1 1 64 64 ILE HA H 64 3.460 3.460 3.672 -0.212 19533 1168 1 3 . 1 1 64 64 ILE C C 64 176.830 176.830 177.463 -0.633 19533 1169 1 3 . 1 1 64 64 ILE CA C 64 65.180 65.180 64.947 0.233 19533 1170 1 3 . 1 1 64 64 ILE CB C 64 36.720 36.720 37.593 -0.873 19533 1171 1 3 . 1 1 64 64 ILE H H 64 7.620 7.620 7.396 0.224 19533 1172 1 3 . 1 1 65 65 ASP N N 65 118.090 118.090 119.953 -1.863 19533 1173 1 3 . 1 1 65 65 ASP HA H 65 4.220 4.220 4.301 -0.081 19533 1174 1 3 . 1 1 65 65 ASP C C 65 177.620 177.620 178.519 -0.899 19533 1175 1 3 . 1 1 65 65 ASP CA C 65 57.910 57.910 57.388 0.522 19533 1176 1 3 . 1 1 65 65 ASP CB C 65 42.150 42.150 40.034 2.116 19533 1177 1 3 . 1 1 65 65 ASP H H 65 7.790 7.790 7.838 -0.048 19533 1178 1 3 . 1 1 66 66 ALA N N 66 118.370 118.370 122.009 -3.639 19533 1179 1 3 . 1 1 66 66 ALA HA H 66 3.950 3.950 4.109 -0.159 19533 1180 1 3 . 1 1 66 66 ALA C C 66 181.140 181.140 179.662 1.478 19533 1181 1 3 . 1 1 66 66 ALA CA C 66 54.970 54.970 54.891 0.079 19533 1182 1 3 . 1 1 66 66 ALA CB C 66 18.670 18.670 18.509 0.161 19533 1183 1 3 . 1 1 66 66 ALA H H 66 7.620 7.620 7.592 0.028 19533 1184 1 3 . 1 1 67 67 LEU N N 67 118.030 118.030 119.500 -1.470 19533 1185 1 3 . 1 1 67 67 LEU HA H 67 3.950 3.950 3.992 -0.042 19533 1186 1 3 . 1 1 67 67 LEU C C 67 178.210 178.210 178.346 -0.136 19533 1187 1 3 . 1 1 67 67 LEU CA C 67 57.420 57.420 57.770 -0.350 19533 1188 1 3 . 1 1 67 67 LEU CB C 67 42.100 42.100 41.969 0.131 19533 1189 1 3 . 1 1 67 67 LEU H H 67 8.180 8.180 7.425 0.755 19533 1190 1 3 . 1 1 68 68 MET N N 68 114.280 114.280 115.986 -1.706 19533 1191 1 3 . 1 1 68 68 MET HA H 68 4.260 4.260 4.141 0.119 19533 1192 1 3 . 1 1 68 68 MET C C 68 177.050 177.050 178.506 -1.456 19533 1193 1 3 . 1 1 68 68 MET CA C 68 56.990 56.990 58.121 -1.131 19533 1194 1 3 . 1 1 68 68 MET CB C 68 32.390 32.390 32.598 -0.208 19533 1195 1 3 . 1 1 68 68 MET H H 68 7.770 7.770 7.671 0.099 19533 1196 1 3 . 1 1 69 69 ARG N N 69 115.480 115.480 117.474 -1.994 19533 1197 1 3 . 1 1 69 69 ARG HA H 69 4.410 4.410 4.224 0.186 19533 1198 1 3 . 1 1 69 69 ARG C C 69 176.480 176.480 177.117 -0.637 19533 1199 1 3 . 1 1 69 69 ARG CA C 69 55.560 55.560 57.972 -2.412 19533 1200 1 3 . 1 1 69 69 ARG CB C 69 30.970 30.970 30.951 0.019 19533 1201 1 3 . 1 1 69 69 ARG H H 69 7.180 7.180 7.503 -0.323 19533 1202 1 3 . 1 1 70 70 ILE N N 70 119.930 119.930 118.859 1.071 19533 1203 1 3 . 1 1 70 70 ILE HA H 70 3.930 3.930 4.155 -0.225 19533 1204 1 3 . 1 1 70 70 ILE CA C 70 62.270 62.270 60.311 1.959 19533 1205 1 3 . 1 1 70 70 ILE CB C 70 39.050 39.050 39.246 -0.196 19533 1206 1 3 . 1 1 70 70 ILE H H 70 7.070 7.070 7.479 -0.409 19533 1207 1 3 . 1 1 71 71 ASN HA H 71 4.860 4.860 4.809 0.051 19533 1208 1 3 . 1 1 71 71 ASN C C 71 174.190 174.190 175.313 -1.123 19533 1209 1 3 . 1 1 71 71 ASN CA C 71 52.330 52.330 52.442 -0.112 19533 1210 1 3 . 1 1 71 71 ASN CB C 71 39.180 39.180 39.952 -0.772 19533 1211 1 3 . 1 1 72 72 LEU N N 72 125.700 125.700 123.614 2.086 19533 1212 1 3 . 1 1 72 72 LEU HA H 72 4.610 4.610 4.473 0.137 19533 1213 1 3 . 1 1 72 72 LEU CA C 72 52.410 52.410 53.413 -1.003 19533 1214 1 3 . 1 1 72 72 LEU CB C 72 41.670 41.670 40.812 0.858 19533 1215 1 3 . 1 1 72 72 LEU H H 72 8.440 8.440 8.324 0.116 19533 1216 1 3 . 1 1 73 73 PRO HA H 73 4.420 4.420 4.422 -0.002 19533 1217 1 3 . 1 1 73 73 PRO C C 73 176.110 176.110 176.379 -0.269 19533 1218 1 3 . 1 1 73 73 PRO CA C 73 62.240 62.240 62.383 -0.143 19533 1219 1 3 . 1 1 73 73 PRO CB C 73 32.450 32.450 32.401 0.049 19533 1220 1 3 . 1 1 74 74 ALA N N 74 123.290 123.290 123.580 -0.290 19533 1221 1 3 . 1 1 74 74 ALA HA H 74 4.170 4.170 4.101 0.069 19533 1222 1 3 . 1 1 74 74 ALA C C 74 178.430 178.430 178.781 -0.351 19533 1223 1 3 . 1 1 74 74 ALA CA C 74 53.550 53.550 53.133 0.417 19533 1224 1 3 . 1 1 74 74 ALA CB C 74 18.300 18.300 18.747 -0.447 19533 1225 1 3 . 1 1 74 74 ALA H H 74 8.160 8.160 8.222 -0.062 19533 1226 1 3 . 1 1 75 75 GLY N N 75 106.750 106.750 108.691 -1.941 19533 1227 1 3 . 1 1 75 75 GLY C C 75 174.140 174.140 173.242 0.898 19533 1228 1 3 . 1 1 75 75 GLY CA C 75 45.020 45.020 45.254 -0.234 19533 1229 1 3 . 1 1 75 75 GLY H H 75 8.420 8.420 8.540 -0.120 19533 1230 1 3 . 1 1 76 76 VAL N N 76 120.550 120.550 118.993 1.557 19533 1231 1 3 . 1 1 76 76 VAL HA H 76 4.660 4.660 5.167 -0.507 19533 1232 1 3 . 1 1 76 76 VAL C C 76 174.120 174.120 174.326 -0.206 19533 1233 1 3 . 1 1 76 76 VAL CA C 76 61.070 61.070 60.630 0.440 19533 1234 1 3 . 1 1 76 76 VAL CB C 76 32.960 32.960 34.895 -1.935 19533 1235 1 3 . 1 1 76 76 VAL H H 76 7.460 7.460 7.357 0.103 19533 1236 1 3 . 1 1 77 77 ASP N N 77 128.070 128.070 123.811 4.259 19533 1237 1 3 . 1 1 77 77 ASP HA H 77 4.970 4.970 4.860 0.110 19533 1238 1 3 . 1 1 77 77 ASP C C 77 175.020 175.020 173.924 1.096 19533 1239 1 3 . 1 1 77 77 ASP CA C 77 53.550 53.550 52.684 0.866 19533 1240 1 3 . 1 1 77 77 ASP CB C 77 43.840 43.840 44.896 -1.056 19533 1241 1 3 . 1 1 77 77 ASP H H 77 8.950 8.950 8.502 0.448 19533 1242 1 3 . 1 1 78 78 VAL N N 78 122.000 122.000 122.219 -0.219 19533 1243 1 3 . 1 1 78 78 VAL HA H 78 4.850 4.850 5.058 -0.208 19533 1244 1 3 . 1 1 78 78 VAL C C 78 174.280 174.280 174.495 -0.215 19533 1245 1 3 . 1 1 78 78 VAL CA C 78 60.720 60.720 60.322 0.398 19533 1246 1 3 . 1 1 78 78 VAL CB C 78 34.600 34.600 34.767 -0.168 19533 1247 1 3 . 1 1 78 78 VAL H H 78 8.460 8.460 8.370 0.090 19533 1248 1 3 . 1 1 79 79 GLU N N 79 127.380 127.380 128.199 -0.819 19533 1249 1 3 . 1 1 79 79 GLU CA C 79 54.800 54.800 54.685 0.115 19533 1250 1 3 . 1 1 79 79 GLU CB C 79 33.610 33.610 31.889 1.721 19533 1251 1 3 . 1 1 79 79 GLU H H 79 8.820 8.820 8.421 0.399 19533 1252 1 4 . 1 1 3 3 GLY C C 3 174.400 174.400 174.935 -0.535 19533 1253 1 4 . 1 1 3 3 GLY CA C 3 45.570 45.570 45.678 -0.108 19533 1254 1 4 . 1 1 4 4 GLY N N 4 109.110 109.110 109.556 -0.446 19533 1255 1 4 . 1 1 4 4 GLY C C 4 174.070 174.070 174.064 0.006 19533 1256 1 4 . 1 1 4 4 GLY CA C 4 45.410 45.410 45.637 -0.227 19533 1257 1 4 . 1 1 4 4 GLY H H 4 8.380 8.380 7.854 0.526 19533 1258 1 4 . 1 1 5 5 GLN N N 5 119.810 119.810 123.400 -3.590 19533 1259 1 4 . 1 1 5 5 GLN HA H 5 4.470 4.470 4.580 -0.110 19533 1260 1 4 . 1 1 5 5 GLN C C 5 174.980 174.980 174.778 0.202 19533 1261 1 4 . 1 1 5 5 GLN CA C 5 56.300 56.300 54.773 1.527 19533 1262 1 4 . 1 1 5 5 GLN CB C 5 30.080 30.080 30.683 -0.603 19533 1263 1 4 . 1 1 5 5 GLN H H 5 8.280 8.280 8.438 -0.158 19533 1264 1 4 . 1 1 6 6 LYS N N 6 120.240 120.240 118.909 1.331 19533 1265 1 4 . 1 1 6 6 LYS HA H 6 5.080 5.080 4.967 0.113 19533 1266 1 4 . 1 1 6 6 LYS C C 6 175.110 175.110 175.459 -0.349 19533 1267 1 4 . 1 1 6 6 LYS CA C 6 55.330 55.330 54.829 0.501 19533 1268 1 4 . 1 1 6 6 LYS CB C 6 35.450 35.450 34.822 0.628 19533 1269 1 4 . 1 1 6 6 LYS H H 6 8.080 8.080 8.295 -0.215 19533 1270 1 4 . 1 1 7 7 ILE N N 7 120.690 120.690 122.286 -1.596 19533 1271 1 4 . 1 1 7 7 ILE HA H 7 4.540 4.540 4.346 0.194 19533 1272 1 4 . 1 1 7 7 ILE C C 7 173.880 173.880 174.548 -0.668 19533 1273 1 4 . 1 1 7 7 ILE CA C 7 60.520 60.520 60.275 0.245 19533 1274 1 4 . 1 1 7 7 ILE CB C 7 40.830 40.830 41.016 -0.186 19533 1275 1 4 . 1 1 7 7 ILE H H 7 8.770 8.770 8.189 0.581 19533 1276 1 4 . 1 1 8 8 ARG N N 8 127.060 127.060 124.776 2.284 19533 1277 1 4 . 1 1 8 8 ARG HA H 8 5.330 5.330 5.404 -0.074 19533 1278 1 4 . 1 1 8 8 ARG C C 8 174.690 174.690 175.377 -0.687 19533 1279 1 4 . 1 1 8 8 ARG CA C 8 55.070 55.070 54.700 0.370 19533 1280 1 4 . 1 1 8 8 ARG CB C 8 32.370 32.370 33.337 -0.967 19533 1281 1 4 . 1 1 8 8 ARG H H 8 8.480 8.480 8.594 -0.114 19533 1282 1 4 . 1 1 9 9 ILE N N 9 127.670 127.670 123.549 4.121 19533 1283 1 4 . 1 1 9 9 ILE HA H 9 4.800 4.800 4.404 0.396 19533 1284 1 4 . 1 1 9 9 ILE C C 9 174.380 174.380 174.607 -0.227 19533 1285 1 4 . 1 1 9 9 ILE CA C 9 60.240 60.240 60.114 0.126 19533 1286 1 4 . 1 1 9 9 ILE CB C 9 39.860 39.860 41.553 -1.693 19533 1287 1 4 . 1 1 9 9 ILE H H 9 9.540 9.540 9.008 0.532 19533 1288 1 4 . 1 1 10 10 LYS N N 10 127.240 127.240 126.733 0.507 19533 1289 1 4 . 1 1 10 10 LYS HA H 10 5.220 5.220 5.253 -0.033 19533 1290 1 4 . 1 1 10 10 LYS C C 10 175.130 175.130 175.467 -0.337 19533 1291 1 4 . 1 1 10 10 LYS CA C 10 54.760 54.760 55.221 -0.461 19533 1292 1 4 . 1 1 10 10 LYS CB C 10 34.940 34.940 34.561 0.379 19533 1293 1 4 . 1 1 10 10 LYS H H 10 9.050 9.050 8.617 0.433 19533 1294 1 4 . 1 1 11 11 LEU N N 11 124.480 124.480 125.005 -0.525 19533 1295 1 4 . 1 1 11 11 LEU HA H 11 5.450 5.450 5.206 0.244 19533 1296 1 4 . 1 1 11 11 LEU C C 11 176.000 176.000 176.091 -0.091 19533 1297 1 4 . 1 1 11 11 LEU CA C 11 53.320 53.320 53.743 -0.423 19533 1298 1 4 . 1 1 11 11 LEU CB C 11 46.960 46.960 43.868 3.091 19533 1299 1 4 . 1 1 11 11 LEU H H 11 8.790 8.790 8.692 0.098 19533 1300 1 4 . 1 1 12 12 LYS N N 12 119.690 119.690 122.751 -3.061 19533 1301 1 4 . 1 1 12 12 LYS HA H 12 5.570 5.570 5.129 0.441 19533 1302 1 4 . 1 1 12 12 LYS C C 12 174.610 174.610 175.073 -0.463 19533 1303 1 4 . 1 1 12 12 LYS CA C 12 54.600 54.600 54.828 -0.228 19533 1304 1 4 . 1 1 12 12 LYS CB C 12 36.480 36.480 35.469 1.011 19533 1305 1 4 . 1 1 12 12 LYS H H 12 8.550 8.550 8.280 0.270 19533 1306 1 4 . 1 1 13 13 ALA N N 13 120.780 120.780 125.311 -4.531 19533 1307 1 4 . 1 1 13 13 ALA HA H 13 4.720 4.720 4.705 0.015 19533 1308 1 4 . 1 1 13 13 ALA C C 13 176.120 176.120 176.260 -0.140 19533 1309 1 4 . 1 1 13 13 ALA CA C 13 52.230 52.230 51.588 0.642 19533 1310 1 4 . 1 1 13 13 ALA CB C 13 24.780 24.780 21.870 2.910 19533 1311 1 4 . 1 1 13 13 ALA H H 13 8.740 8.740 7.982 0.758 19533 1312 1 4 . 1 1 14 14 TYR N N 14 117.810 117.810 120.252 -2.442 19533 1313 1 4 . 1 1 14 14 TYR HA H 14 4.920 4.920 4.407 0.513 19533 1314 1 4 . 1 1 14 14 TYR C C 14 175.960 175.960 176.496 -0.536 19533 1315 1 4 . 1 1 14 14 TYR CA C 14 59.790 59.790 61.017 -1.227 19533 1316 1 4 . 1 1 14 14 TYR CB C 14 38.840 38.840 38.830 0.010 19533 1317 1 4 . 1 1 14 14 TYR H H 14 8.670 8.670 8.659 0.011 19533 1318 1 4 . 1 1 15 15 ASP N N 15 118.650 118.650 117.907 0.743 19533 1319 1 4 . 1 1 15 15 ASP HA H 15 4.890 4.890 5.006 -0.116 19533 1320 1 4 . 1 1 15 15 ASP C C 15 175.980 175.980 176.768 -0.788 19533 1321 1 4 . 1 1 15 15 ASP CA C 15 52.830 52.830 53.577 -0.746 19533 1322 1 4 . 1 1 15 15 ASP CB C 15 42.420 42.420 42.034 0.386 19533 1323 1 4 . 1 1 15 15 ASP H H 15 7.390 7.390 8.262 -0.872 19533 1324 1 4 . 1 1 16 16 HIS N N 16 124.080 124.080 124.143 -0.063 19533 1325 1 4 . 1 1 16 16 HIS HA H 16 3.830 3.830 4.220 -0.390 19533 1326 1 4 . 1 1 16 16 HIS C C 16 176.000 176.000 176.844 -0.844 19533 1327 1 4 . 1 1 16 16 HIS CA C 16 59.190 59.190 59.038 0.152 19533 1328 1 4 . 1 1 16 16 HIS CB C 16 29.030 29.030 29.280 -0.251 19533 1329 1 4 . 1 1 16 16 HIS H H 16 8.190 8.190 8.825 -0.635 19533 1330 1 4 . 1 1 17 17 GLU N N 17 121.830 121.830 119.315 2.515 19533 1331 1 4 . 1 1 17 17 GLU HA H 17 4.040 4.040 3.753 0.287 19533 1332 1 4 . 1 1 17 17 GLU C C 17 179.540 179.540 177.720 1.820 19533 1333 1 4 . 1 1 17 17 GLU CA C 17 59.520 59.520 59.618 -0.098 19533 1334 1 4 . 1 1 17 17 GLU CB C 17 29.020 29.020 29.028 -0.008 19533 1335 1 4 . 1 1 17 17 GLU H H 17 7.740 7.740 7.934 -0.194 19533 1336 1 4 . 1 1 18 18 LEU N N 18 121.120 121.120 118.824 2.296 19533 1337 1 4 . 1 1 18 18 LEU HA H 18 4.030 4.030 4.145 -0.115 19533 1338 1 4 . 1 1 18 18 LEU C C 18 180.600 180.600 179.121 1.479 19533 1339 1 4 . 1 1 18 18 LEU CA C 18 57.050 57.050 57.659 -0.609 19533 1340 1 4 . 1 1 18 18 LEU CB C 18 42.390 42.390 41.617 0.773 19533 1341 1 4 . 1 1 18 18 LEU H H 18 7.510 7.510 7.597 -0.087 19533 1342 1 4 . 1 1 19 19 LEU N N 19 121.190 121.190 121.121 0.069 19533 1343 1 4 . 1 1 19 19 LEU HA H 19 3.750 3.750 3.896 -0.146 19533 1344 1 4 . 1 1 19 19 LEU C C 19 177.580 177.580 177.935 -0.355 19533 1345 1 4 . 1 1 19 19 LEU CA C 19 57.950 57.950 58.481 -0.531 19533 1346 1 4 . 1 1 19 19 LEU CB C 19 42.100 42.100 41.449 0.651 19533 1347 1 4 . 1 1 19 19 LEU H H 19 7.780 7.780 7.650 0.130 19533 1348 1 4 . 1 1 20 20 ASP N N 20 119.750 119.750 118.878 0.872 19533 1349 1 4 . 1 1 20 20 ASP HA H 20 4.490 4.490 4.281 0.209 19533 1350 1 4 . 1 1 20 20 ASP C C 20 179.450 179.450 178.626 0.824 19533 1351 1 4 . 1 1 20 20 ASP CA C 20 58.070 58.070 57.701 0.369 19533 1352 1 4 . 1 1 20 20 ASP CB C 20 40.130 40.130 40.603 -0.473 19533 1353 1 4 . 1 1 20 20 ASP H H 20 8.150 8.150 8.430 -0.280 19533 1354 1 4 . 1 1 21 21 GLU N N 21 120.710 120.710 119.654 1.056 19533 1355 1 4 . 1 1 21 21 GLU HA H 21 4.080 4.080 4.014 0.066 19533 1356 1 4 . 1 1 21 21 GLU C C 21 179.370 179.370 179.236 0.134 19533 1357 1 4 . 1 1 21 21 GLU CA C 21 59.210 59.210 59.407 -0.197 19533 1358 1 4 . 1 1 21 21 GLU CB C 21 29.650 29.650 29.684 -0.034 19533 1359 1 4 . 1 1 21 21 GLU H H 21 8.050 8.050 7.698 0.352 19533 1360 1 4 . 1 1 22 22 SER N N 22 116.150 116.150 116.342 -0.192 19533 1361 1 4 . 1 1 22 22 SER HA H 22 4.090 4.090 4.140 -0.050 19533 1362 1 4 . 1 1 22 22 SER C C 22 175.000 175.000 176.509 -1.509 19533 1363 1 4 . 1 1 22 22 SER CA C 22 62.900 62.900 61.862 1.038 19533 1364 1 4 . 1 1 22 22 SER CB C 22 62.900 62.900 62.461 0.440 19533 1365 1 4 . 1 1 22 22 SER H H 22 7.950 7.950 8.478 -0.528 19533 1366 1 4 . 1 1 23 23 ALA N N 23 123.240 123.240 123.989 -0.749 19533 1367 1 4 . 1 1 23 23 ALA HA H 23 3.760 3.760 4.052 -0.292 19533 1368 1 4 . 1 1 23 23 ALA C C 23 178.540 178.540 179.236 -0.696 19533 1369 1 4 . 1 1 23 23 ALA CA C 23 55.190 55.190 55.241 -0.051 19533 1370 1 4 . 1 1 23 23 ALA CB C 23 17.870 17.870 18.230 -0.360 19533 1371 1 4 . 1 1 23 23 ALA H H 23 8.560 8.560 8.446 0.114 19533 1372 1 4 . 1 1 24 24 LYS N N 24 116.780 116.780 118.954 -2.174 19533 1373 1 4 . 1 1 24 24 LYS HA H 24 3.840 3.840 3.897 -0.057 19533 1374 1 4 . 1 1 24 24 LYS C C 24 178.720 178.720 178.700 0.020 19533 1375 1 4 . 1 1 24 24 LYS CA C 24 59.940 59.940 59.780 0.160 19533 1376 1 4 . 1 1 24 24 LYS CB C 24 32.250 32.250 32.310 -0.060 19533 1377 1 4 . 1 1 24 24 LYS H H 24 7.750 7.750 7.891 -0.141 19533 1378 1 4 . 1 1 25 25 LYS N N 25 118.950 118.950 119.184 -0.234 19533 1379 1 4 . 1 1 25 25 LYS HA H 25 4.040 4.040 3.992 0.048 19533 1380 1 4 . 1 1 25 25 LYS C C 25 178.720 178.720 179.337 -0.617 19533 1381 1 4 . 1 1 25 25 LYS CA C 25 59.000 59.000 59.636 -0.636 19533 1382 1 4 . 1 1 25 25 LYS CB C 25 32.120 32.120 32.408 -0.288 19533 1383 1 4 . 1 1 25 25 LYS H H 25 7.580 7.580 7.930 -0.350 19533 1384 1 4 . 1 1 26 26 ILE N N 26 118.310 118.310 119.949 -1.639 19533 1385 1 4 . 1 1 26 26 ILE HA H 26 3.470 3.470 3.721 -0.251 19533 1386 1 4 . 1 1 26 26 ILE CA C 26 65.060 65.060 65.123 -0.063 19533 1387 1 4 . 1 1 26 26 ILE CB C 26 36.720 36.720 37.733 -1.013 19533 1388 1 4 . 1 1 26 26 ILE H H 26 7.610 7.610 7.906 -0.296 19533 1389 1 4 . 1 1 27 27 VAL N N 27 118.900 118.900 120.991 -2.091 19533 1390 1 4 . 1 1 27 27 VAL HA H 27 3.390 3.390 3.561 -0.171 19533 1391 1 4 . 1 1 27 27 VAL C C 27 177.550 177.550 178.102 -0.552 19533 1392 1 4 . 1 1 27 27 VAL CA C 27 67.630 67.630 66.668 0.962 19533 1393 1 4 . 1 1 27 27 VAL CB C 27 31.420 31.420 30.744 0.676 19533 1394 1 4 . 1 1 27 27 VAL H H 27 7.950 7.950 8.597 -0.647 19533 1395 1 4 . 1 1 28 28 GLU N N 28 118.800 118.800 120.084 -1.284 19533 1396 1 4 . 1 1 28 28 GLU HA H 28 3.980 3.980 4.033 -0.053 19533 1397 1 4 . 1 1 28 28 GLU C C 28 180.130 180.130 179.584 0.546 19533 1398 1 4 . 1 1 28 28 GLU CA C 28 59.740 59.740 59.748 -0.008 19533 1399 1 4 . 1 1 28 28 GLU CB C 28 29.380 29.380 29.151 0.229 19533 1400 1 4 . 1 1 28 28 GLU H H 28 8.180 8.180 8.604 -0.424 19533 1401 1 4 . 1 1 29 29 VAL N N 29 120.730 120.730 120.158 0.572 19533 1402 1 4 . 1 1 29 29 VAL HA H 29 3.710 3.710 3.750 -0.040 19533 1403 1 4 . 1 1 29 29 VAL C C 29 179.240 179.240 177.968 1.272 19533 1404 1 4 . 1 1 29 29 VAL CA C 29 66.290 66.290 66.395 -0.105 19533 1405 1 4 . 1 1 29 29 VAL CB C 29 31.420 31.420 31.642 -0.222 19533 1406 1 4 . 1 1 29 29 VAL H H 29 8.120 8.120 8.002 0.118 19533 1407 1 4 . 1 1 30 30 ALA N N 30 123.770 123.770 122.507 1.263 19533 1408 1 4 . 1 1 30 30 ALA HA H 30 3.880 3.880 4.068 -0.188 19533 1409 1 4 . 1 1 30 30 ALA C C 30 179.630 179.630 179.958 -0.328 19533 1410 1 4 . 1 1 30 30 ALA CA C 30 55.560 55.560 54.924 0.636 19533 1411 1 4 . 1 1 30 30 ALA CB C 30 18.000 18.000 18.490 -0.490 19533 1412 1 4 . 1 1 30 30 ALA H H 30 8.310 8.310 8.365 -0.055 19533 1413 1 4 . 1 1 31 31 LYS N N 31 118.260 118.260 118.134 0.126 19533 1414 1 4 . 1 1 31 31 LYS HA H 31 4.200 4.200 4.096 0.104 19533 1415 1 4 . 1 1 31 31 LYS C C 31 180.710 180.710 178.611 2.099 19533 1416 1 4 . 1 1 31 31 LYS CA C 31 59.910 59.910 58.807 1.103 19533 1417 1 4 . 1 1 31 31 LYS CB C 31 32.270 32.270 32.365 -0.095 19533 1418 1 4 . 1 1 31 31 LYS H H 31 8.710 8.710 8.509 0.201 19533 1419 1 4 . 1 1 32 32 SER N N 32 115.760 115.760 112.355 3.405 19533 1420 1 4 . 1 1 32 32 SER HA H 32 4.380 4.380 4.324 0.056 19533 1421 1 4 . 1 1 32 32 SER C C 32 175.120 175.120 175.021 0.099 19533 1422 1 4 . 1 1 32 32 SER CA C 32 61.300 61.300 60.331 0.968 19533 1423 1 4 . 1 1 32 32 SER CB C 32 63.220 63.220 63.473 -0.253 19533 1424 1 4 . 1 1 32 32 SER H H 32 8.310 8.310 7.709 0.601 19533 1425 1 4 . 1 1 33 33 THR N N 33 108.990 108.990 117.505 -8.515 19533 1426 1 4 . 1 1 33 33 THR HA H 33 4.490 4.490 4.362 0.128 19533 1427 1 4 . 1 1 33 33 THR C C 33 173.390 173.390 174.261 -0.871 19533 1428 1 4 . 1 1 33 33 THR CA C 33 60.910 60.910 62.809 -1.899 19533 1429 1 4 . 1 1 33 33 THR CB C 33 68.860 68.860 69.897 -1.036 19533 1430 1 4 . 1 1 33 33 THR H H 33 7.330 7.330 7.547 -0.217 19533 1431 1 4 . 1 1 34 34 ASN N N 34 115.250 115.250 119.296 -4.046 19533 1432 1 4 . 1 1 34 34 ASN HA H 34 4.450 4.450 4.433 0.017 19533 1433 1 4 . 1 1 34 34 ASN C C 34 174.490 174.490 175.895 -1.405 19533 1434 1 4 . 1 1 34 34 ASN CA C 34 54.800 54.800 54.920 -0.120 19533 1435 1 4 . 1 1 34 34 ASN CB C 34 37.160 37.160 38.206 -1.046 19533 1436 1 4 . 1 1 34 34 ASN H H 34 7.910 7.910 8.685 -0.775 19533 1437 1 4 . 1 1 35 35 SER N N 35 113.160 113.160 114.923 -1.763 19533 1438 1 4 . 1 1 35 35 SER HA H 35 4.830 4.830 4.578 0.252 19533 1439 1 4 . 1 1 35 35 SER C C 35 173.250 173.250 174.162 -0.912 19533 1440 1 4 . 1 1 35 35 SER CA C 35 58.550 58.550 58.927 -0.377 19533 1441 1 4 . 1 1 35 35 SER CB C 35 64.910 64.910 64.070 0.840 19533 1442 1 4 . 1 1 35 35 SER H H 35 7.800 7.800 7.512 0.288 19533 1443 1 4 . 1 1 36 36 LYS N N 36 123.770 123.770 120.605 3.165 19533 1444 1 4 . 1 1 36 36 LYS HA H 36 4.420 4.420 4.686 -0.266 19533 1445 1 4 . 1 1 36 36 LYS C C 36 175.270 175.270 175.351 -0.081 19533 1446 1 4 . 1 1 36 36 LYS CA C 36 56.290 56.290 55.115 1.175 19533 1447 1 4 . 1 1 36 36 LYS CB C 36 33.390 33.390 35.949 -2.559 19533 1448 1 4 . 1 1 36 36 LYS H H 36 8.390 8.390 8.450 -0.060 19533 1449 1 4 . 1 1 37 37 VAL N N 37 119.710 119.710 122.442 -2.732 19533 1450 1 4 . 1 1 37 37 VAL HA H 37 5.010 5.010 4.747 0.263 19533 1451 1 4 . 1 1 37 37 VAL C C 37 175.120 175.120 174.974 0.146 19533 1452 1 4 . 1 1 37 37 VAL CA C 37 59.800 59.800 60.858 -1.058 19533 1453 1 4 . 1 1 37 37 VAL CB C 37 35.260 35.260 34.683 0.577 19533 1454 1 4 . 1 1 37 37 VAL H H 37 8.130 8.130 8.487 -0.357 19533 1455 1 4 . 1 1 38 38 SER N N 38 121.650 121.650 119.604 2.046 19533 1456 1 4 . 1 1 38 38 SER HA H 38 4.810 4.810 4.870 -0.060 19533 1457 1 4 . 1 1 38 38 SER C C 38 173.290 173.290 173.564 -0.274 19533 1458 1 4 . 1 1 38 38 SER CA C 38 56.930 56.930 57.410 -0.480 19533 1459 1 4 . 1 1 38 38 SER CB C 38 64.420 64.420 65.560 -1.140 19533 1460 1 4 . 1 1 38 38 SER H H 38 9.060 9.060 9.038 0.022 19533 1461 1 4 . 1 1 39 39 GLY N N 39 112.740 112.740 111.051 1.689 19533 1462 1 4 . 1 1 39 39 GLY CA C 39 43.180 43.180 44.447 -1.267 19533 1463 1 4 . 1 1 39 39 GLY H H 39 8.430 8.430 8.501 -0.071 19533 1464 1 4 . 1 1 40 40 PRO HA H 40 4.760 4.760 4.519 0.241 19533 1465 1 4 . 1 1 40 40 PRO C C 40 175.760 175.760 175.992 -0.232 19533 1466 1 4 . 1 1 40 40 PRO CA C 40 61.350 61.350 62.788 -1.438 19533 1467 1 4 . 1 1 40 40 PRO CB C 40 34.780 34.780 32.318 2.462 19533 1468 1 4 . 1 1 41 41 ILE N N 41 125.440 125.440 123.112 2.328 19533 1469 1 4 . 1 1 41 41 ILE HA H 41 4.750 4.750 4.538 0.212 19533 1470 1 4 . 1 1 41 41 ILE CA C 41 57.700 57.700 58.551 -0.851 19533 1471 1 4 . 1 1 41 41 ILE CB C 41 40.570 40.570 38.591 1.979 19533 1472 1 4 . 1 1 41 41 ILE H H 41 9.560 9.560 8.959 0.601 19533 1473 1 4 . 1 1 42 42 PRO HA H 42 4.820 4.820 4.530 0.290 19533 1474 1 4 . 1 1 42 42 PRO C C 42 175.600 175.600 175.879 -0.279 19533 1475 1 4 . 1 1 42 42 PRO CA C 42 62.720 62.720 62.894 -0.174 19533 1476 1 4 . 1 1 42 42 PRO CB C 42 31.740 31.740 32.257 -0.517 19533 1477 1 4 . 1 1 43 43 LEU N N 43 123.010 123.010 124.561 -1.551 19533 1478 1 4 . 1 1 43 43 LEU HA H 43 4.830 4.830 4.870 -0.040 19533 1479 1 4 . 1 1 43 43 LEU CA C 43 51.960 51.960 51.698 0.262 19533 1480 1 4 . 1 1 43 43 LEU CB C 43 42.460 42.460 43.389 -0.930 19533 1481 1 4 . 1 1 43 43 LEU H H 43 7.230 7.230 8.057 -0.827 19533 1482 1 4 . 1 1 44 44 PRO HA H 44 4.370 4.370 4.558 -0.188 19533 1483 1 4 . 1 1 44 44 PRO C C 44 176.620 176.620 175.733 0.887 19533 1484 1 4 . 1 1 44 44 PRO CA C 44 63.660 63.660 62.751 0.909 19533 1485 1 4 . 1 1 44 44 PRO CB C 44 31.780 31.780 32.024 -0.244 19533 1486 1 4 . 1 1 45 45 THR N N 45 121.280 121.280 112.960 8.320 19533 1487 1 4 . 1 1 45 45 THR HA H 45 4.380 4.380 4.713 -0.333 19533 1488 1 4 . 1 1 45 45 THR CA C 45 63.240 63.240 59.556 3.683 19533 1489 1 4 . 1 1 45 45 THR CB C 45 69.520 69.520 71.306 -1.786 19533 1490 1 4 . 1 1 45 45 THR H H 45 8.360 8.360 8.042 0.318 19533 1491 1 4 . 1 1 46 46 GLU C C 46 176.830 176.830 176.514 0.316 19533 1492 1 4 . 1 1 46 46 GLU CB C 46 24.950 24.950 31.662 -6.712 19533 1493 1 4 . 1 1 47 47 SER N N 47 121.430 121.430 122.282 -0.852 19533 1494 1 4 . 1 1 47 47 SER HA H 47 4.910 4.910 4.057 0.853 19533 1495 1 4 . 1 1 47 47 SER CA C 47 55.810 55.810 60.797 -4.987 19533 1496 1 4 . 1 1 47 47 SER CB C 47 64.100 64.100 62.748 1.352 19533 1497 1 4 . 1 1 47 47 SER H H 47 7.820 7.820 9.091 -1.271 19533 1498 1 4 . 1 1 48 48 ARG HA H 48 3.650 3.650 4.446 -0.796 19533 1499 1 4 . 1 1 48 48 ARG C C 48 173.650 173.650 174.462 -0.812 19533 1500 1 4 . 1 1 48 48 ARG CA C 48 58.000 58.000 55.279 2.721 19533 1501 1 4 . 1 1 48 48 ARG CB C 48 28.170 28.170 32.417 -4.247 19533 1502 1 4 . 1 1 49 49 VAL N N 49 119.480 119.480 120.791 -1.311 19533 1503 1 4 . 1 1 49 49 VAL HA H 49 3.530 3.530 4.223 -0.693 19533 1504 1 4 . 1 1 49 49 VAL C C 49 174.680 174.680 174.484 0.196 19533 1505 1 4 . 1 1 49 49 VAL CA C 49 62.880 62.880 61.448 1.432 19533 1506 1 4 . 1 1 49 49 VAL CB C 49 32.030 32.030 34.068 -2.038 19533 1507 1 4 . 1 1 49 49 VAL H H 49 7.700 7.700 7.989 -0.289 19533 1508 1 4 . 1 1 50 50 HIS N N 50 128.530 128.530 126.615 1.915 19533 1509 1 4 . 1 1 50 50 HIS HA H 50 4.720 4.720 4.926 -0.206 19533 1510 1 4 . 1 1 50 50 HIS C C 50 175.470 175.470 174.081 1.389 19533 1511 1 4 . 1 1 50 50 HIS CA C 50 55.380 55.380 55.083 0.297 19533 1512 1 4 . 1 1 50 50 HIS CB C 50 32.950 32.950 32.482 0.468 19533 1513 1 4 . 1 1 50 50 HIS H H 50 8.350 8.350 8.509 -0.159 19533 1514 1 4 . 1 1 51 51 LYS N N 51 117.460 117.460 120.461 -3.001 19533 1515 1 4 . 1 1 51 51 LYS HA H 51 5.770 5.770 5.555 0.215 19533 1516 1 4 . 1 1 51 51 LYS C C 51 177.900 177.900 175.452 2.448 19533 1517 1 4 . 1 1 51 51 LYS CA C 51 55.210 55.210 55.072 0.138 19533 1518 1 4 . 1 1 51 51 LYS CB C 51 39.360 39.360 36.235 3.125 19533 1519 1 4 . 1 1 51 51 LYS H H 51 8.940 8.940 8.759 0.181 19533 1520 1 4 . 1 1 52 52 ARG N N 52 120.830 120.830 120.927 -0.097 19533 1521 1 4 . 1 1 52 52 ARG HA H 52 5.240 5.240 5.015 0.225 19533 1522 1 4 . 1 1 52 52 ARG C C 52 173.860 173.860 174.097 -0.237 19533 1523 1 4 . 1 1 52 52 ARG CA C 52 53.070 53.070 54.879 -1.809 19533 1524 1 4 . 1 1 52 52 ARG CB C 52 34.830 34.830 34.413 0.417 19533 1525 1 4 . 1 1 52 52 ARG H H 52 8.990 8.990 8.482 0.508 19533 1526 1 4 . 1 1 53 53 LEU N N 53 122.250 122.250 124.031 -1.781 19533 1527 1 4 . 1 1 53 53 LEU HA H 53 5.440 5.440 5.451 -0.011 19533 1528 1 4 . 1 1 53 53 LEU C C 53 176.140 176.140 174.725 1.415 19533 1529 1 4 . 1 1 53 53 LEU CA C 53 53.800 53.800 53.523 0.277 19533 1530 1 4 . 1 1 53 53 LEU CB C 53 46.410 46.410 46.015 0.395 19533 1531 1 4 . 1 1 53 53 LEU H H 53 8.880 8.880 9.139 -0.259 19533 1532 1 4 . 1 1 54 54 ILE N N 54 124.790 124.790 127.450 -2.660 19533 1533 1 4 . 1 1 54 54 ILE HA H 54 4.420 4.420 4.574 -0.154 19533 1534 1 4 . 1 1 54 54 ILE C C 54 173.160 173.160 174.605 -1.445 19533 1535 1 4 . 1 1 54 54 ILE CA C 54 61.420 61.420 60.308 1.112 19533 1536 1 4 . 1 1 54 54 ILE CB C 54 43.480 43.480 40.315 3.165 19533 1537 1 4 . 1 1 54 54 ILE H H 54 9.280 9.280 9.118 0.162 19533 1538 1 4 . 1 1 55 55 ASP N N 55 126.260 126.260 127.611 -1.351 19533 1539 1 4 . 1 1 55 55 ASP HA H 55 5.800 5.800 5.472 0.328 19533 1540 1 4 . 1 1 55 55 ASP C C 55 175.300 175.300 175.596 -0.296 19533 1541 1 4 . 1 1 55 55 ASP CA C 55 53.120 53.120 52.809 0.310 19533 1542 1 4 . 1 1 55 55 ASP CB C 55 43.530 43.530 43.204 0.326 19533 1543 1 4 . 1 1 55 55 ASP H H 55 8.560 8.560 8.503 0.057 19533 1544 1 4 . 1 1 56 56 ILE N N 56 122.260 122.260 121.424 0.836 19533 1545 1 4 . 1 1 56 56 ILE HA H 56 4.620 4.620 4.672 -0.052 19533 1546 1 4 . 1 1 56 56 ILE C C 56 174.610 174.610 175.474 -0.864 19533 1547 1 4 . 1 1 56 56 ILE CA C 56 60.160 60.160 60.270 -0.110 19533 1548 1 4 . 1 1 56 56 ILE CB C 56 38.520 38.520 40.863 -2.343 19533 1549 1 4 . 1 1 56 56 ILE H H 56 9.100 9.100 8.948 0.152 19533 1550 1 4 . 1 1 57 57 ILE N N 57 128.860 128.860 127.168 1.692 19533 1551 1 4 . 1 1 57 57 ILE HA H 57 4.200 4.200 4.349 -0.149 19533 1552 1 4 . 1 1 57 57 ILE C C 57 174.350 174.350 174.962 -0.612 19533 1553 1 4 . 1 1 57 57 ILE CA C 57 60.810 60.810 60.136 0.674 19533 1554 1 4 . 1 1 57 57 ILE CB C 57 39.300 39.300 40.663 -1.363 19533 1555 1 4 . 1 1 57 57 ILE H H 57 8.480 8.480 9.263 -0.783 19533 1556 1 4 . 1 1 58 58 ASP N N 58 122.140 122.140 123.473 -1.333 19533 1557 1 4 . 1 1 58 58 ASP HA H 58 4.450 4.450 4.475 -0.025 19533 1558 1 4 . 1 1 58 58 ASP CA C 58 55.110 55.110 54.510 0.600 19533 1559 1 4 . 1 1 58 58 ASP CB C 58 39.500 39.500 40.375 -0.875 19533 1560 1 4 . 1 1 58 58 ASP H H 58 8.760 8.760 8.538 0.222 19533 1561 1 4 . 1 1 59 59 PRO HA H 59 4.430 4.430 4.367 0.063 19533 1562 1 4 . 1 1 59 59 PRO C C 59 176.690 176.690 176.139 0.551 19533 1563 1 4 . 1 1 59 59 PRO CA C 59 62.260 62.260 62.920 -0.660 19533 1564 1 4 . 1 1 59 59 PRO CB C 59 31.590 31.590 32.439 -0.849 19533 1565 1 4 . 1 1 60 60 SER N N 60 117.890 117.890 117.271 0.619 19533 1566 1 4 . 1 1 60 60 SER HA H 60 4.920 4.920 4.782 0.138 19533 1567 1 4 . 1 1 60 60 SER CA C 60 56.020 56.020 55.717 0.303 19533 1568 1 4 . 1 1 60 60 SER CB C 60 64.140 64.140 63.475 0.665 19533 1569 1 4 . 1 1 60 60 SER H H 60 8.050 8.050 7.817 0.233 19533 1570 1 4 . 1 1 61 61 PRO HA H 61 4.240 4.240 4.308 -0.068 19533 1571 1 4 . 1 1 61 61 PRO CA C 61 66.000 66.000 64.954 1.046 19533 1572 1 4 . 1 1 61 61 PRO CB C 61 32.100 32.100 32.088 0.012 19533 1573 1 4 . 1 1 62 62 LYS HA H 62 4.150 4.150 4.129 0.021 19533 1574 1 4 . 1 1 62 62 LYS C C 62 179.040 179.040 178.447 0.593 19533 1575 1 4 . 1 1 62 62 LYS CA C 62 58.690 58.690 59.389 -0.699 19533 1576 1 4 . 1 1 62 62 LYS CB C 62 32.330 32.330 31.989 0.341 19533 1577 1 4 . 1 1 63 63 THR N N 63 118.760 118.760 115.348 3.412 19533 1578 1 4 . 1 1 63 63 THR HA H 63 3.880 3.880 4.112 -0.232 19533 1579 1 4 . 1 1 63 63 THR C C 63 175.480 175.480 176.308 -0.828 19533 1580 1 4 . 1 1 63 63 THR CA C 63 66.680 66.680 66.854 -0.174 19533 1581 1 4 . 1 1 63 63 THR CB C 63 68.380 68.380 68.807 -0.427 19533 1582 1 4 . 1 1 63 63 THR H H 63 7.940 7.940 7.435 0.505 19533 1583 1 4 . 1 1 64 64 ILE N N 64 119.800 119.800 121.645 -1.845 19533 1584 1 4 . 1 1 64 64 ILE HA H 64 3.460 3.460 3.666 -0.206 19533 1585 1 4 . 1 1 64 64 ILE C C 64 176.830 176.830 177.401 -0.571 19533 1586 1 4 . 1 1 64 64 ILE CA C 64 65.180 65.180 65.007 0.173 19533 1587 1 4 . 1 1 64 64 ILE CB C 64 36.720 36.720 37.544 -0.824 19533 1588 1 4 . 1 1 64 64 ILE H H 64 7.620 7.620 7.259 0.361 19533 1589 1 4 . 1 1 65 65 ASP N N 65 118.090 118.090 120.136 -2.046 19533 1590 1 4 . 1 1 65 65 ASP HA H 65 4.220 4.220 4.287 -0.067 19533 1591 1 4 . 1 1 65 65 ASP C C 65 177.620 177.620 178.562 -0.942 19533 1592 1 4 . 1 1 65 65 ASP CA C 65 57.910 57.910 57.445 0.465 19533 1593 1 4 . 1 1 65 65 ASP CB C 65 42.150 42.150 40.017 2.133 19533 1594 1 4 . 1 1 65 65 ASP H H 65 7.790 7.790 7.830 -0.040 19533 1595 1 4 . 1 1 66 66 ALA N N 66 118.370 118.370 121.820 -3.450 19533 1596 1 4 . 1 1 66 66 ALA HA H 66 3.950 3.950 4.108 -0.158 19533 1597 1 4 . 1 1 66 66 ALA C C 66 181.140 181.140 179.698 1.442 19533 1598 1 4 . 1 1 66 66 ALA CA C 66 54.970 54.970 54.867 0.103 19533 1599 1 4 . 1 1 66 66 ALA CB C 66 18.670 18.670 18.524 0.146 19533 1600 1 4 . 1 1 66 66 ALA H H 66 7.620 7.620 7.610 0.010 19533 1601 1 4 . 1 1 67 67 LEU N N 67 118.030 118.030 119.647 -1.617 19533 1602 1 4 . 1 1 67 67 LEU HA H 67 3.950 3.950 4.011 -0.061 19533 1603 1 4 . 1 1 67 67 LEU C C 67 178.210 178.210 178.335 -0.125 19533 1604 1 4 . 1 1 67 67 LEU CA C 67 57.420 57.420 57.781 -0.361 19533 1605 1 4 . 1 1 67 67 LEU CB C 67 42.100 42.100 42.030 0.070 19533 1606 1 4 . 1 1 67 67 LEU H H 67 8.180 8.180 7.433 0.747 19533 1607 1 4 . 1 1 68 68 MET N N 68 114.280 114.280 116.055 -1.775 19533 1608 1 4 . 1 1 68 68 MET HA H 68 4.260 4.260 4.147 0.113 19533 1609 1 4 . 1 1 68 68 MET C C 68 177.050 177.050 178.495 -1.445 19533 1610 1 4 . 1 1 68 68 MET CA C 68 56.990 56.990 58.155 -1.165 19533 1611 1 4 . 1 1 68 68 MET CB C 68 32.390 32.390 32.633 -0.243 19533 1612 1 4 . 1 1 68 68 MET H H 68 7.770 7.770 7.825 -0.055 19533 1613 1 4 . 1 1 69 69 ARG N N 69 115.480 115.480 117.433 -1.953 19533 1614 1 4 . 1 1 69 69 ARG HA H 69 4.410 4.410 4.263 0.147 19533 1615 1 4 . 1 1 69 69 ARG C C 69 176.480 176.480 177.066 -0.586 19533 1616 1 4 . 1 1 69 69 ARG CA C 69 55.560 55.560 57.849 -2.289 19533 1617 1 4 . 1 1 69 69 ARG CB C 69 30.970 30.970 31.113 -0.143 19533 1618 1 4 . 1 1 69 69 ARG H H 69 7.180 7.180 7.556 -0.376 19533 1619 1 4 . 1 1 70 70 ILE N N 70 119.930 119.930 119.921 0.009 19533 1620 1 4 . 1 1 70 70 ILE HA H 70 3.930 3.930 4.121 -0.191 19533 1621 1 4 . 1 1 70 70 ILE CA C 70 62.270 62.270 60.664 1.606 19533 1622 1 4 . 1 1 70 70 ILE CB C 70 39.050 39.050 39.218 -0.168 19533 1623 1 4 . 1 1 70 70 ILE H H 70 7.070 7.070 7.602 -0.532 19533 1624 1 4 . 1 1 71 71 ASN HA H 71 4.860 4.860 4.779 0.081 19533 1625 1 4 . 1 1 71 71 ASN C C 71 174.190 174.190 175.070 -0.880 19533 1626 1 4 . 1 1 71 71 ASN CA C 71 52.330 52.330 51.822 0.508 19533 1627 1 4 . 1 1 71 71 ASN CB C 71 39.180 39.180 39.545 -0.365 19533 1628 1 4 . 1 1 72 72 LEU N N 72 125.700 125.700 118.108 7.592 19533 1629 1 4 . 1 1 72 72 LEU HA H 72 4.610 4.610 4.639 -0.029 19533 1630 1 4 . 1 1 72 72 LEU CA C 72 52.410 52.410 53.198 -0.788 19533 1631 1 4 . 1 1 72 72 LEU CB C 72 41.670 41.670 41.477 0.193 19533 1632 1 4 . 1 1 72 72 LEU H H 72 8.440 8.440 8.119 0.321 19533 1633 1 4 . 1 1 73 73 PRO HA H 73 4.420 4.420 4.465 -0.045 19533 1634 1 4 . 1 1 73 73 PRO C C 73 176.110 176.110 176.447 -0.337 19533 1635 1 4 . 1 1 73 73 PRO CA C 73 62.240 62.240 62.214 0.026 19533 1636 1 4 . 1 1 73 73 PRO CB C 73 32.450 32.450 32.493 -0.043 19533 1637 1 4 . 1 1 74 74 ALA N N 74 123.290 123.290 122.853 0.437 19533 1638 1 4 . 1 1 74 74 ALA HA H 74 4.170 4.170 4.090 0.080 19533 1639 1 4 . 1 1 74 74 ALA C C 74 178.430 178.430 178.749 -0.319 19533 1640 1 4 . 1 1 74 74 ALA CA C 74 53.550 53.550 53.176 0.374 19533 1641 1 4 . 1 1 74 74 ALA CB C 74 18.300 18.300 18.762 -0.462 19533 1642 1 4 . 1 1 74 74 ALA H H 74 8.160 8.160 8.193 -0.033 19533 1643 1 4 . 1 1 75 75 GLY N N 75 106.750 106.750 108.367 -1.617 19533 1644 1 4 . 1 1 75 75 GLY C C 75 174.140 174.140 173.299 0.841 19533 1645 1 4 . 1 1 75 75 GLY CA C 75 45.020 45.020 45.314 -0.294 19533 1646 1 4 . 1 1 75 75 GLY H H 75 8.420 8.420 8.554 -0.134 19533 1647 1 4 . 1 1 76 76 VAL N N 76 120.550 120.550 118.586 1.964 19533 1648 1 4 . 1 1 76 76 VAL HA H 76 4.660 4.660 4.918 -0.258 19533 1649 1 4 . 1 1 76 76 VAL C C 76 174.120 174.120 174.151 -0.031 19533 1650 1 4 . 1 1 76 76 VAL CA C 76 61.070 61.070 60.682 0.388 19533 1651 1 4 . 1 1 76 76 VAL CB C 76 32.960 32.960 34.961 -2.001 19533 1652 1 4 . 1 1 76 76 VAL H H 76 7.460 7.460 7.381 0.079 19533 1653 1 4 . 1 1 77 77 ASP N N 77 128.070 128.070 123.660 4.410 19533 1654 1 4 . 1 1 77 77 ASP HA H 77 4.970 4.970 4.855 0.115 19533 1655 1 4 . 1 1 77 77 ASP C C 77 175.020 175.020 174.585 0.435 19533 1656 1 4 . 1 1 77 77 ASP CA C 77 53.550 53.550 52.275 1.275 19533 1657 1 4 . 1 1 77 77 ASP CB C 77 43.840 43.840 44.512 -0.672 19533 1658 1 4 . 1 1 77 77 ASP H H 77 8.950 8.950 8.663 0.287 19533 1659 1 4 . 1 1 78 78 VAL N N 78 122.000 122.000 121.054 0.946 19533 1660 1 4 . 1 1 78 78 VAL HA H 78 4.850 4.850 4.775 0.075 19533 1661 1 4 . 1 1 78 78 VAL C C 78 174.280 174.280 175.667 -1.387 19533 1662 1 4 . 1 1 78 78 VAL CA C 78 60.720 60.720 60.168 0.552 19533 1663 1 4 . 1 1 78 78 VAL CB C 78 34.600 34.600 35.457 -0.857 19533 1664 1 4 . 1 1 78 78 VAL H H 78 8.460 8.460 8.352 0.108 19533 1665 1 4 . 1 1 79 79 GLU N N 79 127.380 127.380 123.199 4.181 19533 1666 1 4 . 1 1 79 79 GLU CA C 79 54.800 54.800 54.509 0.291 19533 1667 1 4 . 1 1 79 79 GLU CB C 79 33.610 33.610 31.441 2.170 19533 1668 1 4 . 1 1 79 79 GLU H H 79 8.820 8.820 8.721 0.099 19533 1669 1 5 . 1 1 3 3 GLY C C 3 174.400 174.400 175.587 -1.187 19533 1670 1 5 . 1 1 3 3 GLY CA C 3 45.570 45.570 44.978 0.592 19533 1671 1 5 . 1 1 4 4 GLY N N 4 109.110 109.110 107.324 1.786 19533 1672 1 5 . 1 1 4 4 GLY C C 4 174.070 174.070 174.615 -0.545 19533 1673 1 5 . 1 1 4 4 GLY CA C 4 45.410 45.410 45.317 0.093 19533 1674 1 5 . 1 1 4 4 GLY H H 4 8.380 8.380 8.279 0.101 19533 1675 1 5 . 1 1 5 5 GLN N N 5 119.810 119.810 118.804 1.006 19533 1676 1 5 . 1 1 5 5 GLN HA H 5 4.470 4.470 4.435 0.035 19533 1677 1 5 . 1 1 5 5 GLN C C 5 174.980 174.980 175.054 -0.074 19533 1678 1 5 . 1 1 5 5 GLN CA C 5 56.300 56.300 55.737 0.563 19533 1679 1 5 . 1 1 5 5 GLN CB C 5 30.080 30.080 29.393 0.687 19533 1680 1 5 . 1 1 5 5 GLN H H 5 8.280 8.280 8.114 0.166 19533 1681 1 5 . 1 1 6 6 LYS N N 6 120.240 120.240 118.246 1.994 19533 1682 1 5 . 1 1 6 6 LYS HA H 6 5.080 5.080 4.997 0.083 19533 1683 1 5 . 1 1 6 6 LYS C C 6 175.110 175.110 175.225 -0.115 19533 1684 1 5 . 1 1 6 6 LYS CA C 6 55.330 55.330 54.462 0.869 19533 1685 1 5 . 1 1 6 6 LYS CB C 6 35.450 35.450 35.537 -0.087 19533 1686 1 5 . 1 1 6 6 LYS H H 6 8.080 8.080 8.162 -0.082 19533 1687 1 5 . 1 1 7 7 ILE N N 7 120.690 120.690 122.864 -2.174 19533 1688 1 5 . 1 1 7 7 ILE HA H 7 4.540 4.540 4.398 0.142 19533 1689 1 5 . 1 1 7 7 ILE C C 7 173.880 173.880 175.017 -1.137 19533 1690 1 5 . 1 1 7 7 ILE CA C 7 60.520 60.520 60.083 0.437 19533 1691 1 5 . 1 1 7 7 ILE CB C 7 40.830 40.830 41.067 -0.237 19533 1692 1 5 . 1 1 7 7 ILE H H 7 8.770 8.770 8.386 0.384 19533 1693 1 5 . 1 1 8 8 ARG N N 8 127.060 127.060 124.574 2.486 19533 1694 1 5 . 1 1 8 8 ARG HA H 8 5.330 5.330 5.441 -0.111 19533 1695 1 5 . 1 1 8 8 ARG C C 8 174.690 174.690 175.352 -0.662 19533 1696 1 5 . 1 1 8 8 ARG CA C 8 55.070 55.070 54.651 0.419 19533 1697 1 5 . 1 1 8 8 ARG CB C 8 32.370 32.370 33.480 -1.109 19533 1698 1 5 . 1 1 8 8 ARG H H 8 8.480 8.480 8.483 -0.003 19533 1699 1 5 . 1 1 9 9 ILE N N 9 127.670 127.670 123.059 4.611 19533 1700 1 5 . 1 1 9 9 ILE HA H 9 4.800 4.800 4.376 0.424 19533 1701 1 5 . 1 1 9 9 ILE C C 9 174.380 174.380 174.324 0.056 19533 1702 1 5 . 1 1 9 9 ILE CA C 9 60.240 60.240 60.206 0.034 19533 1703 1 5 . 1 1 9 9 ILE CB C 9 39.860 39.860 41.664 -1.804 19533 1704 1 5 . 1 1 9 9 ILE H H 9 9.540 9.540 8.968 0.572 19533 1705 1 5 . 1 1 10 10 LYS N N 10 127.240 127.240 127.008 0.232 19533 1706 1 5 . 1 1 10 10 LYS HA H 10 5.220 5.220 5.157 0.063 19533 1707 1 5 . 1 1 10 10 LYS C C 10 175.130 175.130 175.272 -0.142 19533 1708 1 5 . 1 1 10 10 LYS CA C 10 54.760 54.760 54.876 -0.116 19533 1709 1 5 . 1 1 10 10 LYS CB C 10 34.940 34.940 34.572 0.368 19533 1710 1 5 . 1 1 10 10 LYS H H 10 9.050 9.050 8.683 0.367 19533 1711 1 5 . 1 1 11 11 LEU N N 11 124.480 124.480 127.309 -2.829 19533 1712 1 5 . 1 1 11 11 LEU HA H 11 5.450 5.450 4.821 0.629 19533 1713 1 5 . 1 1 11 11 LEU C C 11 176.000 176.000 176.209 -0.209 19533 1714 1 5 . 1 1 11 11 LEU CA C 11 53.320 53.320 53.789 -0.469 19533 1715 1 5 . 1 1 11 11 LEU CB C 11 46.960 46.960 43.314 3.646 19533 1716 1 5 . 1 1 11 11 LEU H H 11 8.790 8.790 9.181 -0.391 19533 1717 1 5 . 1 1 12 12 LYS N N 12 119.690 119.690 122.304 -2.614 19533 1718 1 5 . 1 1 12 12 LYS HA H 12 5.570 5.570 5.219 0.351 19533 1719 1 5 . 1 1 12 12 LYS C C 12 174.610 174.610 174.691 -0.081 19533 1720 1 5 . 1 1 12 12 LYS CA C 12 54.600 54.600 55.062 -0.462 19533 1721 1 5 . 1 1 12 12 LYS CB C 12 36.480 36.480 36.140 0.340 19533 1722 1 5 . 1 1 12 12 LYS H H 12 8.550 8.550 8.343 0.207 19533 1723 1 5 . 1 1 13 13 ALA N N 13 120.780 120.780 125.434 -4.654 19533 1724 1 5 . 1 1 13 13 ALA HA H 13 4.720 4.720 4.566 0.154 19533 1725 1 5 . 1 1 13 13 ALA C C 13 176.120 176.120 175.882 0.238 19533 1726 1 5 . 1 1 13 13 ALA CA C 13 52.230 52.230 52.066 0.164 19533 1727 1 5 . 1 1 13 13 ALA CB C 13 24.780 24.780 21.419 3.361 19533 1728 1 5 . 1 1 13 13 ALA H H 13 8.740 8.740 8.176 0.564 19533 1729 1 5 . 1 1 14 14 TYR N N 14 117.810 117.810 119.861 -2.051 19533 1730 1 5 . 1 1 14 14 TYR HA H 14 4.920 4.920 4.491 0.429 19533 1731 1 5 . 1 1 14 14 TYR C C 14 175.960 175.960 176.682 -0.722 19533 1732 1 5 . 1 1 14 14 TYR CA C 14 59.790 59.790 60.558 -0.768 19533 1733 1 5 . 1 1 14 14 TYR CB C 14 38.840 38.840 38.929 -0.089 19533 1734 1 5 . 1 1 14 14 TYR H H 14 8.670 8.670 8.900 -0.230 19533 1735 1 5 . 1 1 15 15 ASP N N 15 118.650 118.650 118.673 -0.023 19533 1736 1 5 . 1 1 15 15 ASP HA H 15 4.890 4.890 4.851 0.039 19533 1737 1 5 . 1 1 15 15 ASP C C 15 175.980 175.980 176.341 -0.361 19533 1738 1 5 . 1 1 15 15 ASP CA C 15 52.830 52.830 53.891 -1.061 19533 1739 1 5 . 1 1 15 15 ASP CB C 15 42.420 42.420 40.591 1.829 19533 1740 1 5 . 1 1 15 15 ASP H H 15 7.390 7.390 8.050 -0.660 19533 1741 1 5 . 1 1 16 16 HIS N N 16 124.080 124.080 125.290 -1.210 19533 1742 1 5 . 1 1 16 16 HIS HA H 16 3.830 3.830 3.989 -0.159 19533 1743 1 5 . 1 1 16 16 HIS C C 16 176.000 176.000 176.582 -0.582 19533 1744 1 5 . 1 1 16 16 HIS CA C 16 59.190 59.190 60.469 -1.279 19533 1745 1 5 . 1 1 16 16 HIS CB C 16 29.030 29.030 30.134 -1.104 19533 1746 1 5 . 1 1 16 16 HIS H H 16 8.190 8.190 8.431 -0.241 19533 1747 1 5 . 1 1 17 17 GLU N N 17 121.830 121.830 119.335 2.495 19533 1748 1 5 . 1 1 17 17 GLU HA H 17 4.040 4.040 3.892 0.148 19533 1749 1 5 . 1 1 17 17 GLU C C 17 179.540 179.540 179.007 0.533 19533 1750 1 5 . 1 1 17 17 GLU CA C 17 59.520 59.520 58.897 0.624 19533 1751 1 5 . 1 1 17 17 GLU CB C 17 29.020 29.020 28.991 0.029 19533 1752 1 5 . 1 1 17 17 GLU H H 17 7.740 7.740 8.606 -0.866 19533 1753 1 5 . 1 1 18 18 LEU N N 18 121.120 121.120 120.959 0.161 19533 1754 1 5 . 1 1 18 18 LEU HA H 18 4.030 4.030 4.092 -0.062 19533 1755 1 5 . 1 1 18 18 LEU C C 18 180.600 180.600 178.611 1.989 19533 1756 1 5 . 1 1 18 18 LEU CA C 18 57.050 57.050 57.540 -0.490 19533 1757 1 5 . 1 1 18 18 LEU CB C 18 42.390 42.390 41.712 0.678 19533 1758 1 5 . 1 1 18 18 LEU H H 18 7.510 7.510 7.987 -0.477 19533 1759 1 5 . 1 1 19 19 LEU N N 19 121.190 121.190 120.485 0.705 19533 1760 1 5 . 1 1 19 19 LEU HA H 19 3.750 3.750 3.943 -0.193 19533 1761 1 5 . 1 1 19 19 LEU C C 19 177.580 177.580 178.520 -0.940 19533 1762 1 5 . 1 1 19 19 LEU CA C 19 57.950 57.950 57.665 0.285 19533 1763 1 5 . 1 1 19 19 LEU CB C 19 42.100 42.100 41.166 0.934 19533 1764 1 5 . 1 1 19 19 LEU H H 19 7.780 7.780 8.235 -0.455 19533 1765 1 5 . 1 1 20 20 ASP N N 20 119.750 119.750 118.966 0.784 19533 1766 1 5 . 1 1 20 20 ASP HA H 20 4.490 4.490 4.208 0.282 19533 1767 1 5 . 1 1 20 20 ASP C C 20 179.450 179.450 178.071 1.379 19533 1768 1 5 . 1 1 20 20 ASP CA C 20 58.070 58.070 57.333 0.737 19533 1769 1 5 . 1 1 20 20 ASP CB C 20 40.130 40.130 40.488 -0.358 19533 1770 1 5 . 1 1 20 20 ASP H H 20 8.150 8.150 7.538 0.612 19533 1771 1 5 . 1 1 21 21 GLU N N 21 120.710 120.710 119.775 0.935 19533 1772 1 5 . 1 1 21 21 GLU HA H 21 4.080 4.080 3.922 0.158 19533 1773 1 5 . 1 1 21 21 GLU C C 21 179.370 179.370 178.798 0.572 19533 1774 1 5 . 1 1 21 21 GLU CA C 21 59.210 59.210 59.727 -0.517 19533 1775 1 5 . 1 1 21 21 GLU CB C 21 29.650 29.650 29.608 0.042 19533 1776 1 5 . 1 1 21 21 GLU H H 21 8.050 8.050 7.579 0.471 19533 1777 1 5 . 1 1 22 22 SER N N 22 116.150 116.150 114.986 1.164 19533 1778 1 5 . 1 1 22 22 SER HA H 22 4.090 4.090 4.187 -0.097 19533 1779 1 5 . 1 1 22 22 SER C C 22 175.000 175.000 176.608 -1.608 19533 1780 1 5 . 1 1 22 22 SER CA C 22 62.900 62.900 61.525 1.375 19533 1781 1 5 . 1 1 22 22 SER CB C 22 62.900 62.900 62.886 0.014 19533 1782 1 5 . 1 1 22 22 SER H H 22 7.950 7.950 7.860 0.090 19533 1783 1 5 . 1 1 23 23 ALA N N 23 123.240 123.240 124.918 -1.678 19533 1784 1 5 . 1 1 23 23 ALA HA H 23 3.760 3.760 4.113 -0.353 19533 1785 1 5 . 1 1 23 23 ALA C C 23 178.540 178.540 179.295 -0.755 19533 1786 1 5 . 1 1 23 23 ALA CA C 23 55.190 55.190 54.811 0.379 19533 1787 1 5 . 1 1 23 23 ALA CB C 23 17.870 17.870 18.263 -0.393 19533 1788 1 5 . 1 1 23 23 ALA H H 23 8.560 8.560 7.685 0.875 19533 1789 1 5 . 1 1 24 24 LYS N N 24 116.780 116.780 119.285 -2.505 19533 1790 1 5 . 1 1 24 24 LYS HA H 24 3.840 3.840 3.939 -0.099 19533 1791 1 5 . 1 1 24 24 LYS C C 24 178.720 178.720 178.406 0.314 19533 1792 1 5 . 1 1 24 24 LYS CA C 24 59.940 59.940 59.822 0.117 19533 1793 1 5 . 1 1 24 24 LYS CB C 24 32.250 32.250 32.319 -0.069 19533 1794 1 5 . 1 1 24 24 LYS H H 24 7.750 7.750 8.357 -0.607 19533 1795 1 5 . 1 1 25 25 LYS N N 25 118.950 118.950 119.766 -0.816 19533 1796 1 5 . 1 1 25 25 LYS HA H 25 4.040 4.040 4.029 0.011 19533 1797 1 5 . 1 1 25 25 LYS C C 25 178.720 178.720 178.969 -0.249 19533 1798 1 5 . 1 1 25 25 LYS CA C 25 59.000 59.000 59.493 -0.493 19533 1799 1 5 . 1 1 25 25 LYS CB C 25 32.120 32.120 32.319 -0.199 19533 1800 1 5 . 1 1 25 25 LYS H H 25 7.580 7.580 7.674 -0.094 19533 1801 1 5 . 1 1 26 26 ILE N N 26 118.310 118.310 119.289 -0.979 19533 1802 1 5 . 1 1 26 26 ILE HA H 26 3.470 3.470 3.829 -0.359 19533 1803 1 5 . 1 1 26 26 ILE CA C 26 65.060 65.060 63.304 1.756 19533 1804 1 5 . 1 1 26 26 ILE CB C 26 36.720 36.720 36.822 -0.102 19533 1805 1 5 . 1 1 26 26 ILE H H 26 7.610 7.610 7.631 -0.021 19533 1806 1 5 . 1 1 27 27 VAL N N 27 118.900 118.900 120.841 -1.941 19533 1807 1 5 . 1 1 27 27 VAL HA H 27 3.390 3.390 3.525 -0.135 19533 1808 1 5 . 1 1 27 27 VAL C C 27 177.550 177.550 177.890 -0.340 19533 1809 1 5 . 1 1 27 27 VAL CA C 27 67.630 67.630 68.056 -0.426 19533 1810 1 5 . 1 1 27 27 VAL CB C 27 31.420 31.420 31.446 -0.026 19533 1811 1 5 . 1 1 27 27 VAL H H 27 7.950 7.950 8.440 -0.490 19533 1812 1 5 . 1 1 28 28 GLU N N 28 118.800 118.800 120.330 -1.530 19533 1813 1 5 . 1 1 28 28 GLU HA H 28 3.980 3.980 4.014 -0.034 19533 1814 1 5 . 1 1 28 28 GLU C C 28 180.130 180.130 179.142 0.988 19533 1815 1 5 . 1 1 28 28 GLU CA C 28 59.740 59.740 59.924 -0.184 19533 1816 1 5 . 1 1 28 28 GLU CB C 28 29.380 29.380 29.695 -0.315 19533 1817 1 5 . 1 1 28 28 GLU H H 28 8.180 8.180 8.219 -0.039 19533 1818 1 5 . 1 1 29 29 VAL N N 29 120.730 120.730 119.699 1.031 19533 1819 1 5 . 1 1 29 29 VAL HA H 29 3.710 3.710 3.807 -0.097 19533 1820 1 5 . 1 1 29 29 VAL C C 29 179.240 179.240 178.259 0.981 19533 1821 1 5 . 1 1 29 29 VAL CA C 29 66.290 66.290 64.810 1.480 19533 1822 1 5 . 1 1 29 29 VAL CB C 29 31.420 31.420 30.966 0.454 19533 1823 1 5 . 1 1 29 29 VAL H H 29 8.120 8.120 7.590 0.530 19533 1824 1 5 . 1 1 30 30 ALA N N 30 123.770 123.770 122.491 1.279 19533 1825 1 5 . 1 1 30 30 ALA HA H 30 3.880 3.880 4.035 -0.155 19533 1826 1 5 . 1 1 30 30 ALA C C 30 179.630 179.630 179.895 -0.265 19533 1827 1 5 . 1 1 30 30 ALA CA C 30 55.560 55.560 55.153 0.407 19533 1828 1 5 . 1 1 30 30 ALA CB C 30 18.000 18.000 18.356 -0.356 19533 1829 1 5 . 1 1 30 30 ALA H H 30 8.310 8.310 8.498 -0.188 19533 1830 1 5 . 1 1 31 31 LYS N N 31 118.260 118.260 118.249 0.011 19533 1831 1 5 . 1 1 31 31 LYS HA H 31 4.200 4.200 4.015 0.185 19533 1832 1 5 . 1 1 31 31 LYS C C 31 180.710 180.710 177.819 2.891 19533 1833 1 5 . 1 1 31 31 LYS CA C 31 59.910 59.910 58.815 1.095 19533 1834 1 5 . 1 1 31 31 LYS CB C 31 32.270 32.270 32.588 -0.318 19533 1835 1 5 . 1 1 31 31 LYS H H 31 8.710 8.710 8.357 0.353 19533 1836 1 5 . 1 1 32 32 SER N N 32 115.760 115.760 110.952 4.808 19533 1837 1 5 . 1 1 32 32 SER HA H 32 4.380 4.380 4.257 0.123 19533 1838 1 5 . 1 1 32 32 SER C C 32 175.120 175.120 175.479 -0.359 19533 1839 1 5 . 1 1 32 32 SER CA C 32 61.300 61.300 59.992 1.308 19533 1840 1 5 . 1 1 32 32 SER CB C 32 63.220 63.220 63.255 -0.035 19533 1841 1 5 . 1 1 32 32 SER H H 32 8.310 8.310 7.828 0.482 19533 1842 1 5 . 1 1 33 33 THR N N 33 108.990 108.990 115.144 -6.154 19533 1843 1 5 . 1 1 33 33 THR HA H 33 4.490 4.490 4.318 0.172 19533 1844 1 5 . 1 1 33 33 THR C C 33 173.390 173.390 174.965 -1.575 19533 1845 1 5 . 1 1 33 33 THR CA C 33 60.910 60.910 61.389 -0.479 19533 1846 1 5 . 1 1 33 33 THR CB C 33 68.860 68.860 70.691 -1.831 19533 1847 1 5 . 1 1 33 33 THR H H 33 7.330 7.330 7.530 -0.200 19533 1848 1 5 . 1 1 34 34 ASN N N 34 115.250 115.250 118.858 -3.608 19533 1849 1 5 . 1 1 34 34 ASN HA H 34 4.450 4.450 4.519 -0.069 19533 1850 1 5 . 1 1 34 34 ASN C C 34 174.490 174.490 175.898 -1.408 19533 1851 1 5 . 1 1 34 34 ASN CA C 34 54.800 54.800 55.085 -0.285 19533 1852 1 5 . 1 1 34 34 ASN CB C 34 37.160 37.160 38.411 -1.251 19533 1853 1 5 . 1 1 34 34 ASN H H 34 7.910 7.910 8.620 -0.710 19533 1854 1 5 . 1 1 35 35 SER N N 35 113.160 113.160 114.980 -1.820 19533 1855 1 5 . 1 1 35 35 SER HA H 35 4.830 4.830 4.573 0.257 19533 1856 1 5 . 1 1 35 35 SER C C 35 173.250 173.250 173.560 -0.310 19533 1857 1 5 . 1 1 35 35 SER CA C 35 58.550 58.550 60.145 -1.595 19533 1858 1 5 . 1 1 35 35 SER CB C 35 64.910 64.910 63.900 1.010 19533 1859 1 5 . 1 1 35 35 SER H H 35 7.800 7.800 7.627 0.173 19533 1860 1 5 . 1 1 36 36 LYS N N 36 123.770 123.770 121.723 2.047 19533 1861 1 5 . 1 1 36 36 LYS HA H 36 4.420 4.420 4.635 -0.215 19533 1862 1 5 . 1 1 36 36 LYS C C 36 175.270 175.270 175.075 0.195 19533 1863 1 5 . 1 1 36 36 LYS CA C 36 56.290 56.290 55.214 1.076 19533 1864 1 5 . 1 1 36 36 LYS CB C 36 33.390 33.390 35.359 -1.969 19533 1865 1 5 . 1 1 36 36 LYS H H 36 8.390 8.390 8.014 0.376 19533 1866 1 5 . 1 1 37 37 VAL N N 37 119.710 119.710 121.701 -1.991 19533 1867 1 5 . 1 1 37 37 VAL HA H 37 5.010 5.010 4.773 0.237 19533 1868 1 5 . 1 1 37 37 VAL C C 37 175.120 175.120 174.790 0.330 19533 1869 1 5 . 1 1 37 37 VAL CA C 37 59.800 59.800 59.513 0.287 19533 1870 1 5 . 1 1 37 37 VAL CB C 37 35.260 35.260 34.105 1.155 19533 1871 1 5 . 1 1 37 37 VAL H H 37 8.130 8.130 8.408 -0.278 19533 1872 1 5 . 1 1 38 38 SER N N 38 121.650 121.650 122.018 -0.368 19533 1873 1 5 . 1 1 38 38 SER HA H 38 4.810 4.810 4.941 -0.131 19533 1874 1 5 . 1 1 38 38 SER C C 38 173.290 173.290 173.243 0.047 19533 1875 1 5 . 1 1 38 38 SER CA C 38 56.930 56.930 56.809 0.121 19533 1876 1 5 . 1 1 38 38 SER CB C 38 64.420 64.420 65.900 -1.480 19533 1877 1 5 . 1 1 38 38 SER H H 38 9.060 9.060 9.228 -0.168 19533 1878 1 5 . 1 1 39 39 GLY N N 39 112.740 112.740 110.930 1.810 19533 1879 1 5 . 1 1 39 39 GLY CA C 39 43.180 43.180 44.655 -1.475 19533 1880 1 5 . 1 1 39 39 GLY H H 39 8.430 8.430 8.160 0.270 19533 1881 1 5 . 1 1 40 40 PRO HA H 40 4.760 4.760 4.441 0.319 19533 1882 1 5 . 1 1 40 40 PRO C C 40 175.760 175.760 175.690 0.070 19533 1883 1 5 . 1 1 40 40 PRO CA C 40 61.350 61.350 63.072 -1.722 19533 1884 1 5 . 1 1 40 40 PRO CB C 40 34.780 34.780 32.678 2.102 19533 1885 1 5 . 1 1 41 41 ILE N N 41 125.440 125.440 123.696 1.744 19533 1886 1 5 . 1 1 41 41 ILE HA H 41 4.750 4.750 4.492 0.258 19533 1887 1 5 . 1 1 41 41 ILE CA C 41 57.700 57.700 58.578 -0.878 19533 1888 1 5 . 1 1 41 41 ILE CB C 41 40.570 40.570 38.420 2.150 19533 1889 1 5 . 1 1 41 41 ILE H H 41 9.560 9.560 8.759 0.801 19533 1890 1 5 . 1 1 42 42 PRO HA H 42 4.820 4.820 4.593 0.227 19533 1891 1 5 . 1 1 42 42 PRO C C 42 175.600 175.600 175.812 -0.212 19533 1892 1 5 . 1 1 42 42 PRO CA C 42 62.720 62.720 62.919 -0.199 19533 1893 1 5 . 1 1 42 42 PRO CB C 42 31.740 31.740 32.133 -0.393 19533 1894 1 5 . 1 1 43 43 LEU N N 43 123.010 123.010 126.440 -3.430 19533 1895 1 5 . 1 1 43 43 LEU HA H 43 4.830 4.830 4.851 -0.021 19533 1896 1 5 . 1 1 43 43 LEU CA C 43 51.960 51.960 51.475 0.485 19533 1897 1 5 . 1 1 43 43 LEU CB C 43 42.460 42.460 42.196 0.264 19533 1898 1 5 . 1 1 43 43 LEU H H 43 7.230 7.230 8.316 -1.086 19533 1899 1 5 . 1 1 44 44 PRO HA H 44 4.370 4.370 4.496 -0.126 19533 1900 1 5 . 1 1 44 44 PRO C C 44 176.620 176.620 176.149 0.471 19533 1901 1 5 . 1 1 44 44 PRO CA C 44 63.660 63.660 62.706 0.954 19533 1902 1 5 . 1 1 44 44 PRO CB C 44 31.780 31.780 31.968 -0.188 19533 1903 1 5 . 1 1 45 45 THR N N 45 121.280 121.280 118.027 3.253 19533 1904 1 5 . 1 1 45 45 THR HA H 45 4.380 4.380 4.549 -0.169 19533 1905 1 5 . 1 1 45 45 THR CA C 45 63.240 63.240 62.667 0.573 19533 1906 1 5 . 1 1 45 45 THR CB C 45 69.520 69.520 69.752 -0.232 19533 1907 1 5 . 1 1 45 45 THR H H 45 8.360 8.360 8.150 0.210 19533 1908 1 5 . 1 1 46 46 GLU C C 46 176.830 176.830 175.882 0.948 19533 1909 1 5 . 1 1 46 46 GLU CB C 46 24.950 24.950 33.245 -8.295 19533 1910 1 5 . 1 1 47 47 SER N N 47 121.430 121.430 117.134 4.296 19533 1911 1 5 . 1 1 47 47 SER HA H 47 4.910 4.910 4.130 0.780 19533 1912 1 5 . 1 1 47 47 SER CA C 47 55.810 55.810 59.459 -3.649 19533 1913 1 5 . 1 1 47 47 SER CB C 47 64.100 64.100 62.346 1.754 19533 1914 1 5 . 1 1 47 47 SER H H 47 7.820 7.820 9.022 -1.202 19533 1915 1 5 . 1 1 48 48 ARG HA H 48 3.650 3.650 3.825 -0.175 19533 1916 1 5 . 1 1 48 48 ARG C C 48 173.650 173.650 174.438 -0.788 19533 1917 1 5 . 1 1 48 48 ARG CA C 48 58.000 58.000 57.222 0.778 19533 1918 1 5 . 1 1 48 48 ARG CB C 48 28.170 28.170 28.454 -0.284 19533 1919 1 5 . 1 1 49 49 VAL N N 49 119.480 119.480 117.119 2.361 19533 1920 1 5 . 1 1 49 49 VAL HA H 49 3.530 3.530 4.204 -0.673 19533 1921 1 5 . 1 1 49 49 VAL C C 49 174.680 174.680 174.619 0.061 19533 1922 1 5 . 1 1 49 49 VAL CA C 49 62.880 62.880 60.976 1.904 19533 1923 1 5 . 1 1 49 49 VAL CB C 49 32.030 32.030 35.446 -3.416 19533 1924 1 5 . 1 1 49 49 VAL H H 49 7.700 7.700 7.745 -0.045 19533 1925 1 5 . 1 1 50 50 HIS N N 50 128.530 128.530 125.952 2.578 19533 1926 1 5 . 1 1 50 50 HIS HA H 50 4.720 4.720 4.860 -0.140 19533 1927 1 5 . 1 1 50 50 HIS C C 50 175.470 175.470 174.218 1.252 19533 1928 1 5 . 1 1 50 50 HIS CA C 50 55.380 55.380 55.470 -0.090 19533 1929 1 5 . 1 1 50 50 HIS CB C 50 32.950 32.950 31.734 1.216 19533 1930 1 5 . 1 1 50 50 HIS H H 50 8.350 8.350 8.437 -0.087 19533 1931 1 5 . 1 1 51 51 LYS N N 51 117.460 117.460 120.217 -2.757 19533 1932 1 5 . 1 1 51 51 LYS HA H 51 5.770 5.770 5.544 0.226 19533 1933 1 5 . 1 1 51 51 LYS C C 51 177.900 177.900 175.450 2.450 19533 1934 1 5 . 1 1 51 51 LYS CA C 51 55.210 55.210 55.081 0.128 19533 1935 1 5 . 1 1 51 51 LYS CB C 51 39.360 39.360 36.633 2.727 19533 1936 1 5 . 1 1 51 51 LYS H H 51 8.940 8.940 8.763 0.177 19533 1937 1 5 . 1 1 52 52 ARG N N 52 120.830 120.830 120.071 0.759 19533 1938 1 5 . 1 1 52 52 ARG HA H 52 5.240 5.240 5.274 -0.034 19533 1939 1 5 . 1 1 52 52 ARG C C 52 173.860 173.860 174.163 -0.303 19533 1940 1 5 . 1 1 52 52 ARG CA C 52 53.070 53.070 54.731 -1.661 19533 1941 1 5 . 1 1 52 52 ARG CB C 52 34.830 34.830 34.743 0.087 19533 1942 1 5 . 1 1 52 52 ARG H H 52 8.990 8.990 8.780 0.210 19533 1943 1 5 . 1 1 53 53 LEU N N 53 122.250 122.250 123.696 -1.446 19533 1944 1 5 . 1 1 53 53 LEU HA H 53 5.440 5.440 5.483 -0.043 19533 1945 1 5 . 1 1 53 53 LEU C C 53 176.140 176.140 174.839 1.301 19533 1946 1 5 . 1 1 53 53 LEU CA C 53 53.800 53.800 53.562 0.238 19533 1947 1 5 . 1 1 53 53 LEU CB C 53 46.410 46.410 46.167 0.243 19533 1948 1 5 . 1 1 53 53 LEU H H 53 8.880 8.880 9.116 -0.236 19533 1949 1 5 . 1 1 54 54 ILE N N 54 124.790 124.790 127.481 -2.691 19533 1950 1 5 . 1 1 54 54 ILE HA H 54 4.420 4.420 4.717 -0.297 19533 1951 1 5 . 1 1 54 54 ILE C C 54 173.160 173.160 174.653 -1.493 19533 1952 1 5 . 1 1 54 54 ILE CA C 54 61.420 61.420 60.161 1.259 19533 1953 1 5 . 1 1 54 54 ILE CB C 54 43.480 43.480 40.069 3.411 19533 1954 1 5 . 1 1 54 54 ILE H H 54 9.280 9.280 9.278 0.002 19533 1955 1 5 . 1 1 55 55 ASP N N 55 126.260 126.260 128.460 -2.200 19533 1956 1 5 . 1 1 55 55 ASP HA H 55 5.800 5.800 5.204 0.596 19533 1957 1 5 . 1 1 55 55 ASP C C 55 175.300 175.300 175.286 0.014 19533 1958 1 5 . 1 1 55 55 ASP CA C 55 53.120 53.120 53.291 -0.171 19533 1959 1 5 . 1 1 55 55 ASP CB C 55 43.530 43.530 42.755 0.775 19533 1960 1 5 . 1 1 55 55 ASP H H 55 8.560 8.560 8.509 0.051 19533 1961 1 5 . 1 1 56 56 ILE N N 56 122.260 122.260 122.084 0.176 19533 1962 1 5 . 1 1 56 56 ILE HA H 56 4.620 4.620 4.643 -0.023 19533 1963 1 5 . 1 1 56 56 ILE C C 56 174.610 174.610 175.438 -0.828 19533 1964 1 5 . 1 1 56 56 ILE CA C 56 60.160 60.160 60.353 -0.193 19533 1965 1 5 . 1 1 56 56 ILE CB C 56 38.520 38.520 40.400 -1.879 19533 1966 1 5 . 1 1 56 56 ILE H H 56 9.100 9.100 9.008 0.092 19533 1967 1 5 . 1 1 57 57 ILE N N 57 128.860 128.860 127.607 1.253 19533 1968 1 5 . 1 1 57 57 ILE HA H 57 4.200 4.200 4.342 -0.142 19533 1969 1 5 . 1 1 57 57 ILE C C 57 174.350 174.350 174.941 -0.591 19533 1970 1 5 . 1 1 57 57 ILE CA C 57 60.810 60.810 60.204 0.606 19533 1971 1 5 . 1 1 57 57 ILE CB C 57 39.300 39.300 40.783 -1.483 19533 1972 1 5 . 1 1 57 57 ILE H H 57 8.480 8.480 9.020 -0.540 19533 1973 1 5 . 1 1 58 58 ASP N N 58 122.140 122.140 122.410 -0.270 19533 1974 1 5 . 1 1 58 58 ASP HA H 58 4.450 4.450 4.400 0.050 19533 1975 1 5 . 1 1 58 58 ASP CA C 58 55.110 55.110 54.200 0.910 19533 1976 1 5 . 1 1 58 58 ASP CB C 58 39.500 39.500 40.761 -1.261 19533 1977 1 5 . 1 1 58 58 ASP H H 58 8.760 8.760 8.464 0.296 19533 1978 1 5 . 1 1 59 59 PRO HA H 59 4.430 4.430 4.470 -0.040 19533 1979 1 5 . 1 1 59 59 PRO C C 59 176.690 176.690 175.952 0.738 19533 1980 1 5 . 1 1 59 59 PRO CA C 59 62.260 62.260 63.027 -0.767 19533 1981 1 5 . 1 1 59 59 PRO CB C 59 31.590 31.590 32.462 -0.872 19533 1982 1 5 . 1 1 60 60 SER N N 60 117.890 117.890 117.231 0.659 19533 1983 1 5 . 1 1 60 60 SER HA H 60 4.920 4.920 4.897 0.023 19533 1984 1 5 . 1 1 60 60 SER CA C 60 56.020 56.020 55.485 0.535 19533 1985 1 5 . 1 1 60 60 SER CB C 60 64.140 64.140 64.227 -0.087 19533 1986 1 5 . 1 1 60 60 SER H H 60 8.050 8.050 7.785 0.266 19533 1987 1 5 . 1 1 61 61 PRO HA H 61 4.240 4.240 4.312 -0.072 19533 1988 1 5 . 1 1 61 61 PRO CA C 61 66.000 66.000 64.887 1.113 19533 1989 1 5 . 1 1 61 61 PRO CB C 61 32.100 32.100 31.960 0.140 19533 1990 1 5 . 1 1 62 62 LYS HA H 62 4.150 4.150 4.138 0.012 19533 1991 1 5 . 1 1 62 62 LYS C C 62 179.040 179.040 178.375 0.665 19533 1992 1 5 . 1 1 62 62 LYS CA C 62 58.690 58.690 59.235 -0.545 19533 1993 1 5 . 1 1 62 62 LYS CB C 62 32.330 32.330 31.475 0.855 19533 1994 1 5 . 1 1 63 63 THR N N 63 118.760 118.760 116.136 2.624 19533 1995 1 5 . 1 1 63 63 THR HA H 63 3.880 3.880 4.119 -0.239 19533 1996 1 5 . 1 1 63 63 THR C C 63 175.480 175.480 176.084 -0.604 19533 1997 1 5 . 1 1 63 63 THR CA C 63 66.680 66.680 66.887 -0.207 19533 1998 1 5 . 1 1 63 63 THR CB C 63 68.380 68.380 68.821 -0.441 19533 1999 1 5 . 1 1 63 63 THR H H 63 7.940 7.940 7.474 0.466 19533 2000 1 5 . 1 1 64 64 ILE N N 64 119.800 119.800 122.194 -2.394 19533 2001 1 5 . 1 1 64 64 ILE HA H 64 3.460 3.460 3.670 -0.210 19533 2002 1 5 . 1 1 64 64 ILE C C 64 176.830 176.830 177.515 -0.685 19533 2003 1 5 . 1 1 64 64 ILE CA C 64 65.180 65.180 65.015 0.165 19533 2004 1 5 . 1 1 64 64 ILE CB C 64 36.720 36.720 37.603 -0.883 19533 2005 1 5 . 1 1 64 64 ILE H H 64 7.620 7.620 7.278 0.342 19533 2006 1 5 . 1 1 65 65 ASP N N 65 118.090 118.090 120.059 -1.969 19533 2007 1 5 . 1 1 65 65 ASP HA H 65 4.220 4.220 4.326 -0.106 19533 2008 1 5 . 1 1 65 65 ASP C C 65 177.620 177.620 178.515 -0.895 19533 2009 1 5 . 1 1 65 65 ASP CA C 65 57.910 57.910 57.386 0.524 19533 2010 1 5 . 1 1 65 65 ASP CB C 65 42.150 42.150 40.065 2.085 19533 2011 1 5 . 1 1 65 65 ASP H H 65 7.790 7.790 7.848 -0.058 19533 2012 1 5 . 1 1 66 66 ALA N N 66 118.370 118.370 122.500 -4.130 19533 2013 1 5 . 1 1 66 66 ALA HA H 66 3.950 3.950 4.175 -0.225 19533 2014 1 5 . 1 1 66 66 ALA C C 66 181.140 181.140 179.673 1.467 19533 2015 1 5 . 1 1 66 66 ALA CA C 66 54.970 54.970 54.884 0.086 19533 2016 1 5 . 1 1 66 66 ALA CB C 66 18.670 18.670 18.493 0.177 19533 2017 1 5 . 1 1 66 66 ALA H H 66 7.620 7.620 7.613 0.007 19533 2018 1 5 . 1 1 67 67 LEU N N 67 118.030 118.030 120.019 -1.989 19533 2019 1 5 . 1 1 67 67 LEU HA H 67 3.950 3.950 4.036 -0.086 19533 2020 1 5 . 1 1 67 67 LEU C C 67 178.210 178.210 178.369 -0.159 19533 2021 1 5 . 1 1 67 67 LEU CA C 67 57.420 57.420 57.782 -0.362 19533 2022 1 5 . 1 1 67 67 LEU CB C 67 42.100 42.100 41.453 0.647 19533 2023 1 5 . 1 1 67 67 LEU H H 67 8.180 8.180 7.854 0.326 19533 2024 1 5 . 1 1 68 68 MET N N 68 114.280 114.280 115.441 -1.161 19533 2025 1 5 . 1 1 68 68 MET HA H 68 4.260 4.260 4.182 0.078 19533 2026 1 5 . 1 1 68 68 MET C C 68 177.050 177.050 178.666 -1.616 19533 2027 1 5 . 1 1 68 68 MET CA C 68 56.990 56.990 58.043 -1.053 19533 2028 1 5 . 1 1 68 68 MET CB C 68 32.390 32.390 32.617 -0.228 19533 2029 1 5 . 1 1 68 68 MET H H 68 7.770 7.770 7.884 -0.114 19533 2030 1 5 . 1 1 69 69 ARG N N 69 115.480 115.480 117.448 -1.968 19533 2031 1 5 . 1 1 69 69 ARG HA H 69 4.410 4.410 4.270 0.140 19533 2032 1 5 . 1 1 69 69 ARG C C 69 176.480 176.480 177.036 -0.556 19533 2033 1 5 . 1 1 69 69 ARG CA C 69 55.560 55.560 57.859 -2.299 19533 2034 1 5 . 1 1 69 69 ARG CB C 69 30.970 30.970 31.175 -0.205 19533 2035 1 5 . 1 1 69 69 ARG H H 69 7.180 7.180 7.460 -0.280 19533 2036 1 5 . 1 1 70 70 ILE N N 70 119.930 119.930 120.015 -0.085 19533 2037 1 5 . 1 1 70 70 ILE HA H 70 3.930 3.930 4.129 -0.199 19533 2038 1 5 . 1 1 70 70 ILE CA C 70 62.270 62.270 60.560 1.710 19533 2039 1 5 . 1 1 70 70 ILE CB C 70 39.050 39.050 39.242 -0.192 19533 2040 1 5 . 1 1 70 70 ILE H H 70 7.070 7.070 7.664 -0.594 19533 2041 1 5 . 1 1 71 71 ASN HA H 71 4.860 4.860 4.982 -0.122 19533 2042 1 5 . 1 1 71 71 ASN C C 71 174.190 174.190 175.534 -1.344 19533 2043 1 5 . 1 1 71 71 ASN CA C 71 52.330 52.330 51.606 0.724 19533 2044 1 5 . 1 1 71 71 ASN CB C 71 39.180 39.180 39.731 -0.551 19533 2045 1 5 . 1 1 72 72 LEU N N 72 125.700 125.700 121.207 4.493 19533 2046 1 5 . 1 1 72 72 LEU HA H 72 4.610 4.610 4.425 0.185 19533 2047 1 5 . 1 1 72 72 LEU CA C 72 52.410 52.410 54.120 -1.710 19533 2048 1 5 . 1 1 72 72 LEU CB C 72 41.670 41.670 40.908 0.762 19533 2049 1 5 . 1 1 72 72 LEU H H 72 8.440 8.440 8.293 0.147 19533 2050 1 5 . 1 1 73 73 PRO HA H 73 4.420 4.420 4.435 -0.015 19533 2051 1 5 . 1 1 73 73 PRO C C 73 176.110 176.110 176.481 -0.371 19533 2052 1 5 . 1 1 73 73 PRO CA C 73 62.240 62.240 62.613 -0.373 19533 2053 1 5 . 1 1 73 73 PRO CB C 73 32.450 32.450 32.063 0.387 19533 2054 1 5 . 1 1 74 74 ALA N N 74 123.290 123.290 124.867 -1.577 19533 2055 1 5 . 1 1 74 74 ALA HA H 74 4.170 4.170 4.127 0.043 19533 2056 1 5 . 1 1 74 74 ALA C C 74 178.430 178.430 178.341 0.089 19533 2057 1 5 . 1 1 74 74 ALA CA C 74 53.550 53.550 53.187 0.363 19533 2058 1 5 . 1 1 74 74 ALA CB C 74 18.300 18.300 19.035 -0.735 19533 2059 1 5 . 1 1 74 74 ALA H H 74 8.160 8.160 8.346 -0.186 19533 2060 1 5 . 1 1 75 75 GLY N N 75 106.750 106.750 110.005 -3.255 19533 2061 1 5 . 1 1 75 75 GLY C C 75 174.140 174.140 173.562 0.578 19533 2062 1 5 . 1 1 75 75 GLY CA C 75 45.020 45.020 44.973 0.047 19533 2063 1 5 . 1 1 75 75 GLY H H 75 8.420 8.420 8.720 -0.300 19533 2064 1 5 . 1 1 76 76 VAL N N 76 120.550 120.550 119.248 1.302 19533 2065 1 5 . 1 1 76 76 VAL HA H 76 4.660 4.660 4.370 0.290 19533 2066 1 5 . 1 1 76 76 VAL C C 76 174.120 174.120 174.127 -0.007 19533 2067 1 5 . 1 1 76 76 VAL CA C 76 61.070 61.070 60.775 0.295 19533 2068 1 5 . 1 1 76 76 VAL CB C 76 32.960 32.960 34.594 -1.634 19533 2069 1 5 . 1 1 76 76 VAL H H 76 7.460 7.460 7.413 0.047 19533 2070 1 5 . 1 1 77 77 ASP N N 77 128.070 128.070 125.832 2.238 19533 2071 1 5 . 1 1 77 77 ASP HA H 77 4.970 4.970 5.020 -0.050 19533 2072 1 5 . 1 1 77 77 ASP C C 77 175.020 175.020 174.569 0.451 19533 2073 1 5 . 1 1 77 77 ASP CA C 77 53.550 53.550 52.466 1.084 19533 2074 1 5 . 1 1 77 77 ASP CB C 77 43.840 43.840 43.985 -0.145 19533 2075 1 5 . 1 1 77 77 ASP H H 77 8.950 8.950 8.952 -0.002 19533 2076 1 5 . 1 1 78 78 VAL N N 78 122.000 122.000 120.528 1.472 19533 2077 1 5 . 1 1 78 78 VAL HA H 78 4.850 4.850 4.487 0.363 19533 2078 1 5 . 1 1 78 78 VAL C C 78 174.280 174.280 174.930 -0.650 19533 2079 1 5 . 1 1 78 78 VAL CA C 78 60.720 60.720 61.071 -0.351 19533 2080 1 5 . 1 1 78 78 VAL CB C 78 34.600 34.600 34.376 0.224 19533 2081 1 5 . 1 1 78 78 VAL H H 78 8.460 8.460 8.428 0.032 19533 2082 1 5 . 1 1 79 79 GLU N N 79 127.380 127.380 127.642 -0.262 19533 2083 1 5 . 1 1 79 79 GLU CA C 79 54.800 54.800 55.453 -0.653 19533 2084 1 5 . 1 1 79 79 GLU CB C 79 33.610 33.610 31.924 1.686 19533 2085 1 5 . 1 1 79 79 GLU H H 79 8.820 8.820 8.278 0.542 19533 2086 1 6 . 1 1 3 3 GLY C C 3 174.400 174.400 174.269 0.131 19533 2087 1 6 . 1 1 3 3 GLY CA C 3 45.570 45.570 44.584 0.986 19533 2088 1 6 . 1 1 4 4 GLY N N 4 109.110 109.110 108.885 0.225 19533 2089 1 6 . 1 1 4 4 GLY C C 4 174.070 174.070 174.240 -0.170 19533 2090 1 6 . 1 1 4 4 GLY CA C 4 45.410 45.410 45.002 0.408 19533 2091 1 6 . 1 1 4 4 GLY H H 4 8.380 8.380 8.514 -0.134 19533 2092 1 6 . 1 1 5 5 GLN N N 5 119.810 119.810 119.683 0.127 19533 2093 1 6 . 1 1 5 5 GLN HA H 5 4.470 4.470 4.595 -0.125 19533 2094 1 6 . 1 1 5 5 GLN C C 5 174.980 174.980 174.466 0.514 19533 2095 1 6 . 1 1 5 5 GLN CA C 5 56.300 56.300 54.825 1.475 19533 2096 1 6 . 1 1 5 5 GLN CB C 5 30.080 30.080 31.048 -0.968 19533 2097 1 6 . 1 1 5 5 GLN H H 5 8.280 8.280 8.142 0.138 19533 2098 1 6 . 1 1 6 6 LYS N N 6 120.240 120.240 119.517 0.723 19533 2099 1 6 . 1 1 6 6 LYS HA H 6 5.080 5.080 5.052 0.028 19533 2100 1 6 . 1 1 6 6 LYS C C 6 175.110 175.110 175.144 -0.034 19533 2101 1 6 . 1 1 6 6 LYS CA C 6 55.330 55.330 54.694 0.636 19533 2102 1 6 . 1 1 6 6 LYS CB C 6 35.450 35.450 35.509 -0.059 19533 2103 1 6 . 1 1 6 6 LYS H H 6 8.080 8.080 8.332 -0.252 19533 2104 1 6 . 1 1 7 7 ILE N N 7 120.690 120.690 122.262 -1.572 19533 2105 1 6 . 1 1 7 7 ILE HA H 7 4.540 4.540 4.387 0.153 19533 2106 1 6 . 1 1 7 7 ILE C C 7 173.880 173.880 174.949 -1.069 19533 2107 1 6 . 1 1 7 7 ILE CA C 7 60.520 60.520 60.181 0.339 19533 2108 1 6 . 1 1 7 7 ILE CB C 7 40.830 40.830 41.192 -0.362 19533 2109 1 6 . 1 1 7 7 ILE H H 7 8.770 8.770 8.361 0.409 19533 2110 1 6 . 1 1 8 8 ARG N N 8 127.060 127.060 124.791 2.269 19533 2111 1 6 . 1 1 8 8 ARG HA H 8 5.330 5.330 5.257 0.073 19533 2112 1 6 . 1 1 8 8 ARG C C 8 174.690 174.690 175.344 -0.654 19533 2113 1 6 . 1 1 8 8 ARG CA C 8 55.070 55.070 54.725 0.345 19533 2114 1 6 . 1 1 8 8 ARG CB C 8 32.370 32.370 33.116 -0.746 19533 2115 1 6 . 1 1 8 8 ARG H H 8 8.480 8.480 8.483 -0.003 19533 2116 1 6 . 1 1 9 9 ILE N N 9 127.670 127.670 124.043 3.627 19533 2117 1 6 . 1 1 9 9 ILE HA H 9 4.800 4.800 4.408 0.392 19533 2118 1 6 . 1 1 9 9 ILE C C 9 174.380 174.380 174.524 -0.144 19533 2119 1 6 . 1 1 9 9 ILE CA C 9 60.240 60.240 60.311 -0.071 19533 2120 1 6 . 1 1 9 9 ILE CB C 9 39.860 39.860 41.538 -1.678 19533 2121 1 6 . 1 1 9 9 ILE H H 9 9.540 9.540 8.767 0.773 19533 2122 1 6 . 1 1 10 10 LYS N N 10 127.240 127.240 126.556 0.684 19533 2123 1 6 . 1 1 10 10 LYS HA H 10 5.220 5.220 5.469 -0.249 19533 2124 1 6 . 1 1 10 10 LYS C C 10 175.130 175.130 175.601 -0.471 19533 2125 1 6 . 1 1 10 10 LYS CA C 10 54.760 54.760 54.920 -0.160 19533 2126 1 6 . 1 1 10 10 LYS CB C 10 34.940 34.940 34.879 0.061 19533 2127 1 6 . 1 1 10 10 LYS H H 10 9.050 9.050 8.756 0.294 19533 2128 1 6 . 1 1 11 11 LEU N N 11 124.480 124.480 124.942 -0.462 19533 2129 1 6 . 1 1 11 11 LEU HA H 11 5.450 5.450 5.541 -0.091 19533 2130 1 6 . 1 1 11 11 LEU C C 11 176.000 176.000 176.390 -0.390 19533 2131 1 6 . 1 1 11 11 LEU CA C 11 53.320 53.320 52.996 0.324 19533 2132 1 6 . 1 1 11 11 LEU CB C 11 46.960 46.960 44.284 2.676 19533 2133 1 6 . 1 1 11 11 LEU H H 11 8.790 8.790 8.909 -0.119 19533 2134 1 6 . 1 1 12 12 LYS N N 12 119.690 119.690 121.667 -1.977 19533 2135 1 6 . 1 1 12 12 LYS HA H 12 5.570 5.570 5.569 0.001 19533 2136 1 6 . 1 1 12 12 LYS C C 12 174.610 174.610 175.158 -0.548 19533 2137 1 6 . 1 1 12 12 LYS CA C 12 54.600 54.600 54.550 0.050 19533 2138 1 6 . 1 1 12 12 LYS CB C 12 36.480 36.480 36.277 0.203 19533 2139 1 6 . 1 1 12 12 LYS H H 12 8.550 8.550 8.333 0.217 19533 2140 1 6 . 1 1 13 13 ALA N N 13 120.780 120.780 124.797 -4.017 19533 2141 1 6 . 1 1 13 13 ALA HA H 13 4.720 4.720 4.660 0.060 19533 2142 1 6 . 1 1 13 13 ALA C C 13 176.120 176.120 176.151 -0.031 19533 2143 1 6 . 1 1 13 13 ALA CA C 13 52.230 52.230 51.976 0.254 19533 2144 1 6 . 1 1 13 13 ALA CB C 13 24.780 24.780 21.422 3.358 19533 2145 1 6 . 1 1 13 13 ALA H H 13 8.740 8.740 8.186 0.554 19533 2146 1 6 . 1 1 14 14 TYR N N 14 117.810 117.810 123.028 -5.218 19533 2147 1 6 . 1 1 14 14 TYR HA H 14 4.920 4.920 4.395 0.525 19533 2148 1 6 . 1 1 14 14 TYR C C 14 175.960 175.960 175.621 0.339 19533 2149 1 6 . 1 1 14 14 TYR CA C 14 59.790 59.790 61.321 -1.531 19533 2150 1 6 . 1 1 14 14 TYR CB C 14 38.840 38.840 39.132 -0.292 19533 2151 1 6 . 1 1 14 14 TYR H H 14 8.670 8.670 9.002 -0.332 19533 2152 1 6 . 1 1 15 15 ASP N N 15 118.650 118.650 116.285 2.365 19533 2153 1 6 . 1 1 15 15 ASP HA H 15 4.890 4.890 4.765 0.125 19533 2154 1 6 . 1 1 15 15 ASP C C 15 175.980 175.980 176.968 -0.988 19533 2155 1 6 . 1 1 15 15 ASP CA C 15 52.830 52.830 54.033 -1.203 19533 2156 1 6 . 1 1 15 15 ASP CB C 15 42.420 42.420 41.684 0.736 19533 2157 1 6 . 1 1 15 15 ASP H H 15 7.390 7.390 8.133 -0.743 19533 2158 1 6 . 1 1 16 16 HIS N N 16 124.080 124.080 121.947 2.133 19533 2159 1 6 . 1 1 16 16 HIS HA H 16 3.830 3.830 4.207 -0.377 19533 2160 1 6 . 1 1 16 16 HIS C C 16 176.000 176.000 176.443 -0.443 19533 2161 1 6 . 1 1 16 16 HIS CA C 16 59.190 59.190 58.691 0.499 19533 2162 1 6 . 1 1 16 16 HIS CB C 16 29.030 29.030 29.630 -0.599 19533 2163 1 6 . 1 1 16 16 HIS H H 16 8.190 8.190 8.545 -0.355 19533 2164 1 6 . 1 1 17 17 GLU N N 17 121.830 121.830 120.067 1.763 19533 2165 1 6 . 1 1 17 17 GLU HA H 17 4.040 4.040 3.797 0.243 19533 2166 1 6 . 1 1 17 17 GLU C C 17 179.540 179.540 178.022 1.518 19533 2167 1 6 . 1 1 17 17 GLU CA C 17 59.520 59.520 58.710 0.810 19533 2168 1 6 . 1 1 17 17 GLU CB C 17 29.020 29.020 28.877 0.143 19533 2169 1 6 . 1 1 17 17 GLU H H 17 7.740 7.740 7.485 0.255 19533 2170 1 6 . 1 1 18 18 LEU N N 18 121.120 121.120 119.925 1.195 19533 2171 1 6 . 1 1 18 18 LEU HA H 18 4.030 4.030 4.030 0.000 19533 2172 1 6 . 1 1 18 18 LEU C C 18 180.600 180.600 178.346 2.254 19533 2173 1 6 . 1 1 18 18 LEU CA C 18 57.050 57.050 57.655 -0.605 19533 2174 1 6 . 1 1 18 18 LEU CB C 18 42.390 42.390 41.853 0.537 19533 2175 1 6 . 1 1 18 18 LEU H H 18 7.510 7.510 7.781 -0.271 19533 2176 1 6 . 1 1 19 19 LEU N N 19 121.190 121.190 119.319 1.871 19533 2177 1 6 . 1 1 19 19 LEU HA H 19 3.750 3.750 3.830 -0.080 19533 2178 1 6 . 1 1 19 19 LEU C C 19 177.580 177.580 178.726 -1.146 19533 2179 1 6 . 1 1 19 19 LEU CA C 19 57.950 57.950 58.313 -0.363 19533 2180 1 6 . 1 1 19 19 LEU CB C 19 42.100 42.100 41.102 0.998 19533 2181 1 6 . 1 1 19 19 LEU H H 19 7.780 7.780 7.364 0.416 19533 2182 1 6 . 1 1 20 20 ASP N N 20 119.750 119.750 118.607 1.143 19533 2183 1 6 . 1 1 20 20 ASP HA H 20 4.490 4.490 4.343 0.147 19533 2184 1 6 . 1 1 20 20 ASP C C 20 179.450 179.450 178.495 0.955 19533 2185 1 6 . 1 1 20 20 ASP CA C 20 58.070 58.070 57.775 0.295 19533 2186 1 6 . 1 1 20 20 ASP CB C 20 40.130 40.130 40.389 -0.259 19533 2187 1 6 . 1 1 20 20 ASP H H 20 8.150 8.150 7.879 0.271 19533 2188 1 6 . 1 1 21 21 GLU N N 21 120.710 120.710 118.942 1.768 19533 2189 1 6 . 1 1 21 21 GLU HA H 21 4.080 4.080 4.116 -0.036 19533 2190 1 6 . 1 1 21 21 GLU C C 21 179.370 179.370 179.018 0.352 19533 2191 1 6 . 1 1 21 21 GLU CA C 21 59.210 59.210 59.228 -0.018 19533 2192 1 6 . 1 1 21 21 GLU CB C 21 29.650 29.650 29.202 0.448 19533 2193 1 6 . 1 1 21 21 GLU H H 21 8.050 8.050 7.504 0.546 19533 2194 1 6 . 1 1 22 22 SER N N 22 116.150 116.150 115.720 0.430 19533 2195 1 6 . 1 1 22 22 SER HA H 22 4.090 4.090 4.236 -0.146 19533 2196 1 6 . 1 1 22 22 SER C C 22 175.000 175.000 176.503 -1.503 19533 2197 1 6 . 1 1 22 22 SER CA C 22 62.900 62.900 61.606 1.294 19533 2198 1 6 . 1 1 22 22 SER CB C 22 62.900 62.900 62.975 -0.075 19533 2199 1 6 . 1 1 22 22 SER H H 22 7.950 7.950 8.338 -0.388 19533 2200 1 6 . 1 1 23 23 ALA N N 23 123.240 123.240 123.855 -0.615 19533 2201 1 6 . 1 1 23 23 ALA HA H 23 3.760 3.760 4.123 -0.363 19533 2202 1 6 . 1 1 23 23 ALA C C 23 178.540 178.540 179.173 -0.633 19533 2203 1 6 . 1 1 23 23 ALA CA C 23 55.190 55.190 55.124 0.066 19533 2204 1 6 . 1 1 23 23 ALA CB C 23 17.870 17.870 18.263 -0.393 19533 2205 1 6 . 1 1 23 23 ALA H H 23 8.560 8.560 8.444 0.116 19533 2206 1 6 . 1 1 24 24 LYS N N 24 116.780 116.780 119.073 -2.293 19533 2207 1 6 . 1 1 24 24 LYS HA H 24 3.840 3.840 3.960 -0.120 19533 2208 1 6 . 1 1 24 24 LYS C C 24 178.720 178.720 178.778 -0.058 19533 2209 1 6 . 1 1 24 24 LYS CA C 24 59.940 59.940 59.878 0.062 19533 2210 1 6 . 1 1 24 24 LYS CB C 24 32.250 32.250 32.337 -0.087 19533 2211 1 6 . 1 1 24 24 LYS H H 24 7.750 7.750 8.217 -0.467 19533 2212 1 6 . 1 1 25 25 LYS N N 25 118.950 118.950 118.471 0.479 19533 2213 1 6 . 1 1 25 25 LYS HA H 25 4.040 4.040 4.076 -0.036 19533 2214 1 6 . 1 1 25 25 LYS C C 25 178.720 178.720 179.289 -0.569 19533 2215 1 6 . 1 1 25 25 LYS CA C 25 59.000 59.000 59.532 -0.532 19533 2216 1 6 . 1 1 25 25 LYS CB C 25 32.120 32.120 32.469 -0.349 19533 2217 1 6 . 1 1 25 25 LYS H H 25 7.580 7.580 7.687 -0.107 19533 2218 1 6 . 1 1 26 26 ILE N N 26 118.310 118.310 120.302 -1.992 19533 2219 1 6 . 1 1 26 26 ILE HA H 26 3.470 3.470 3.717 -0.247 19533 2220 1 6 . 1 1 26 26 ILE CA C 26 65.060 65.060 65.159 -0.099 19533 2221 1 6 . 1 1 26 26 ILE CB C 26 36.720 36.720 37.914 -1.194 19533 2222 1 6 . 1 1 26 26 ILE H H 26 7.610 7.610 7.890 -0.280 19533 2223 1 6 . 1 1 27 27 VAL N N 27 118.900 118.900 120.883 -1.983 19533 2224 1 6 . 1 1 27 27 VAL HA H 27 3.390 3.390 3.470 -0.080 19533 2225 1 6 . 1 1 27 27 VAL C C 27 177.550 177.550 177.930 -0.380 19533 2226 1 6 . 1 1 27 27 VAL CA C 27 67.630 67.630 67.557 0.073 19533 2227 1 6 . 1 1 27 27 VAL CB C 27 31.420 31.420 31.437 -0.017 19533 2228 1 6 . 1 1 27 27 VAL H H 27 7.950 7.950 8.571 -0.621 19533 2229 1 6 . 1 1 28 28 GLU N N 28 118.800 118.800 120.105 -1.305 19533 2230 1 6 . 1 1 28 28 GLU HA H 28 3.980 3.980 4.011 -0.031 19533 2231 1 6 . 1 1 28 28 GLU C C 28 180.130 180.130 179.469 0.661 19533 2232 1 6 . 1 1 28 28 GLU CA C 28 59.740 59.740 59.842 -0.102 19533 2233 1 6 . 1 1 28 28 GLU CB C 28 29.380 29.380 29.556 -0.176 19533 2234 1 6 . 1 1 28 28 GLU H H 28 8.180 8.180 8.199 -0.019 19533 2235 1 6 . 1 1 29 29 VAL N N 29 120.730 120.730 119.755 0.975 19533 2236 1 6 . 1 1 29 29 VAL HA H 29 3.710 3.710 3.719 -0.009 19533 2237 1 6 . 1 1 29 29 VAL C C 29 179.240 179.240 177.722 1.518 19533 2238 1 6 . 1 1 29 29 VAL CA C 29 66.290 66.290 65.680 0.610 19533 2239 1 6 . 1 1 29 29 VAL CB C 29 31.420 31.420 31.686 -0.266 19533 2240 1 6 . 1 1 29 29 VAL H H 29 8.120 8.120 7.667 0.453 19533 2241 1 6 . 1 1 30 30 ALA N N 30 123.770 123.770 122.998 0.772 19533 2242 1 6 . 1 1 30 30 ALA HA H 30 3.880 3.880 3.997 -0.117 19533 2243 1 6 . 1 1 30 30 ALA C C 30 179.630 179.630 179.378 0.252 19533 2244 1 6 . 1 1 30 30 ALA CA C 30 55.560 55.560 55.452 0.108 19533 2245 1 6 . 1 1 30 30 ALA CB C 30 18.000 18.000 18.529 -0.529 19533 2246 1 6 . 1 1 30 30 ALA H H 30 8.310 8.310 8.446 -0.136 19533 2247 1 6 . 1 1 31 31 LYS N N 31 118.260 118.260 117.872 0.388 19533 2248 1 6 . 1 1 31 31 LYS HA H 31 4.200 4.200 4.064 0.136 19533 2249 1 6 . 1 1 31 31 LYS C C 31 180.710 180.710 178.903 1.807 19533 2250 1 6 . 1 1 31 31 LYS CA C 31 59.910 59.910 59.142 0.767 19533 2251 1 6 . 1 1 31 31 LYS CB C 31 32.270 32.270 32.297 -0.027 19533 2252 1 6 . 1 1 31 31 LYS H H 31 8.710 8.710 8.447 0.263 19533 2253 1 6 . 1 1 32 32 SER N N 32 115.760 115.760 112.886 2.874 19533 2254 1 6 . 1 1 32 32 SER HA H 32 4.380 4.380 4.267 0.113 19533 2255 1 6 . 1 1 32 32 SER C C 32 175.120 175.120 175.192 -0.072 19533 2256 1 6 . 1 1 32 32 SER CA C 32 61.300 61.300 60.287 1.013 19533 2257 1 6 . 1 1 32 32 SER CB C 32 63.220 63.220 63.522 -0.302 19533 2258 1 6 . 1 1 32 32 SER H H 32 8.310 8.310 7.848 0.462 19533 2259 1 6 . 1 1 33 33 THR N N 33 108.990 108.990 113.623 -4.633 19533 2260 1 6 . 1 1 33 33 THR HA H 33 4.490 4.490 4.437 0.053 19533 2261 1 6 . 1 1 33 33 THR C C 33 173.390 173.390 174.665 -1.275 19533 2262 1 6 . 1 1 33 33 THR CA C 33 60.910 60.910 61.904 -0.994 19533 2263 1 6 . 1 1 33 33 THR CB C 33 68.860 68.860 69.995 -1.135 19533 2264 1 6 . 1 1 33 33 THR H H 33 7.330 7.330 7.591 -0.261 19533 2265 1 6 . 1 1 34 34 ASN N N 34 115.250 115.250 118.366 -3.116 19533 2266 1 6 . 1 1 34 34 ASN HA H 34 4.450 4.450 4.489 -0.039 19533 2267 1 6 . 1 1 34 34 ASN C C 34 174.490 174.490 175.749 -1.259 19533 2268 1 6 . 1 1 34 34 ASN CA C 34 54.800 54.800 55.033 -0.234 19533 2269 1 6 . 1 1 34 34 ASN CB C 34 37.160 37.160 38.535 -1.375 19533 2270 1 6 . 1 1 34 34 ASN H H 34 7.910 7.910 8.732 -0.822 19533 2271 1 6 . 1 1 35 35 SER N N 35 113.160 113.160 113.876 -0.716 19533 2272 1 6 . 1 1 35 35 SER HA H 35 4.830 4.830 4.588 0.242 19533 2273 1 6 . 1 1 35 35 SER C C 35 173.250 173.250 174.163 -0.913 19533 2274 1 6 . 1 1 35 35 SER CA C 35 58.550 58.550 59.114 -0.564 19533 2275 1 6 . 1 1 35 35 SER CB C 35 64.910 64.910 64.139 0.771 19533 2276 1 6 . 1 1 35 35 SER H H 35 7.800 7.800 7.491 0.309 19533 2277 1 6 . 1 1 36 36 LYS N N 36 123.770 123.770 121.101 2.669 19533 2278 1 6 . 1 1 36 36 LYS HA H 36 4.420 4.420 4.632 -0.212 19533 2279 1 6 . 1 1 36 36 LYS C C 36 175.270 175.270 175.399 -0.129 19533 2280 1 6 . 1 1 36 36 LYS CA C 36 56.290 56.290 55.432 0.858 19533 2281 1 6 . 1 1 36 36 LYS CB C 36 33.390 33.390 35.554 -2.164 19533 2282 1 6 . 1 1 36 36 LYS H H 36 8.390 8.390 8.438 -0.048 19533 2283 1 6 . 1 1 37 37 VAL N N 37 119.710 119.710 120.926 -1.216 19533 2284 1 6 . 1 1 37 37 VAL HA H 37 5.010 5.010 4.591 0.419 19533 2285 1 6 . 1 1 37 37 VAL C C 37 175.120 175.120 174.997 0.123 19533 2286 1 6 . 1 1 37 37 VAL CA C 37 59.800 59.800 61.364 -1.564 19533 2287 1 6 . 1 1 37 37 VAL CB C 37 35.260 35.260 34.890 0.370 19533 2288 1 6 . 1 1 37 37 VAL H H 37 8.130 8.130 8.352 -0.222 19533 2289 1 6 . 1 1 38 38 SER N N 38 121.650 121.650 120.294 1.356 19533 2290 1 6 . 1 1 38 38 SER HA H 38 4.810 4.810 4.812 -0.002 19533 2291 1 6 . 1 1 38 38 SER C C 38 173.290 173.290 173.233 0.057 19533 2292 1 6 . 1 1 38 38 SER CA C 38 56.930 56.930 56.612 0.318 19533 2293 1 6 . 1 1 38 38 SER CB C 38 64.420 64.420 64.813 -0.393 19533 2294 1 6 . 1 1 38 38 SER H H 38 9.060 9.060 9.158 -0.098 19533 2295 1 6 . 1 1 39 39 GLY N N 39 112.740 112.740 112.653 0.087 19533 2296 1 6 . 1 1 39 39 GLY CA C 39 43.180 43.180 44.526 -1.346 19533 2297 1 6 . 1 1 39 39 GLY H H 39 8.430 8.430 8.397 0.033 19533 2298 1 6 . 1 1 40 40 PRO HA H 40 4.760 4.760 4.489 0.271 19533 2299 1 6 . 1 1 40 40 PRO C C 40 175.760 175.760 175.851 -0.091 19533 2300 1 6 . 1 1 40 40 PRO CA C 40 61.350 61.350 63.029 -1.679 19533 2301 1 6 . 1 1 40 40 PRO CB C 40 34.780 34.780 32.337 2.443 19533 2302 1 6 . 1 1 41 41 ILE N N 41 125.440 125.440 124.014 1.426 19533 2303 1 6 . 1 1 41 41 ILE HA H 41 4.750 4.750 4.488 0.262 19533 2304 1 6 . 1 1 41 41 ILE CA C 41 57.700 57.700 58.778 -1.078 19533 2305 1 6 . 1 1 41 41 ILE CB C 41 40.570 40.570 38.457 2.113 19533 2306 1 6 . 1 1 41 41 ILE H H 41 9.560 9.560 8.987 0.573 19533 2307 1 6 . 1 1 42 42 PRO HA H 42 4.820 4.820 4.522 0.298 19533 2308 1 6 . 1 1 42 42 PRO C C 42 175.600 175.600 175.850 -0.250 19533 2309 1 6 . 1 1 42 42 PRO CA C 42 62.720 62.720 62.949 -0.229 19533 2310 1 6 . 1 1 42 42 PRO CB C 42 31.740 31.740 32.268 -0.528 19533 2311 1 6 . 1 1 43 43 LEU N N 43 123.010 123.010 124.770 -1.760 19533 2312 1 6 . 1 1 43 43 LEU HA H 43 4.830 4.830 4.847 -0.017 19533 2313 1 6 . 1 1 43 43 LEU CA C 43 51.960 51.960 51.725 0.235 19533 2314 1 6 . 1 1 43 43 LEU CB C 43 42.460 42.460 43.035 -0.575 19533 2315 1 6 . 1 1 43 43 LEU H H 43 7.230 7.230 8.056 -0.826 19533 2316 1 6 . 1 1 44 44 PRO HA H 44 4.370 4.370 4.496 -0.126 19533 2317 1 6 . 1 1 44 44 PRO C C 44 176.620 176.620 176.159 0.461 19533 2318 1 6 . 1 1 44 44 PRO CA C 44 63.660 63.660 62.725 0.935 19533 2319 1 6 . 1 1 44 44 PRO CB C 44 31.780 31.780 31.827 -0.047 19533 2320 1 6 . 1 1 45 45 THR N N 45 121.280 121.280 117.638 3.642 19533 2321 1 6 . 1 1 45 45 THR HA H 45 4.380 4.380 4.503 -0.123 19533 2322 1 6 . 1 1 45 45 THR CA C 45 63.240 63.240 61.920 1.320 19533 2323 1 6 . 1 1 45 45 THR CB C 45 69.520 69.520 69.821 -0.301 19533 2324 1 6 . 1 1 45 45 THR H H 45 8.360 8.360 8.118 0.242 19533 2325 1 6 . 1 1 46 46 GLU C C 46 176.830 176.830 176.380 0.450 19533 2326 1 6 . 1 1 46 46 GLU CB C 46 24.950 24.950 31.345 -6.395 19533 2327 1 6 . 1 1 47 47 SER N N 47 121.430 121.430 121.731 -0.301 19533 2328 1 6 . 1 1 47 47 SER HA H 47 4.910 4.910 4.011 0.899 19533 2329 1 6 . 1 1 47 47 SER CA C 47 55.810 55.810 60.733 -4.923 19533 2330 1 6 . 1 1 47 47 SER CB C 47 64.100 64.100 62.653 1.447 19533 2331 1 6 . 1 1 47 47 SER H H 47 7.820 7.820 9.073 -1.253 19533 2332 1 6 . 1 1 48 48 ARG HA H 48 3.650 3.650 4.320 -0.670 19533 2333 1 6 . 1 1 48 48 ARG C C 48 173.650 173.650 173.957 -0.307 19533 2334 1 6 . 1 1 48 48 ARG CA C 48 58.000 58.000 55.301 2.699 19533 2335 1 6 . 1 1 48 48 ARG CB C 48 28.170 28.170 32.493 -4.323 19533 2336 1 6 . 1 1 49 49 VAL N N 49 119.480 119.480 120.089 -0.609 19533 2337 1 6 . 1 1 49 49 VAL HA H 49 3.530 3.530 4.196 -0.666 19533 2338 1 6 . 1 1 49 49 VAL C C 49 174.680 174.680 174.265 0.415 19533 2339 1 6 . 1 1 49 49 VAL CA C 49 62.880 62.880 61.151 1.730 19533 2340 1 6 . 1 1 49 49 VAL CB C 49 32.030 32.030 33.702 -1.672 19533 2341 1 6 . 1 1 49 49 VAL H H 49 7.700 7.700 8.240 -0.540 19533 2342 1 6 . 1 1 50 50 HIS N N 50 128.530 128.530 126.037 2.493 19533 2343 1 6 . 1 1 50 50 HIS HA H 50 4.720 4.720 4.899 -0.179 19533 2344 1 6 . 1 1 50 50 HIS C C 50 175.470 175.470 174.052 1.418 19533 2345 1 6 . 1 1 50 50 HIS CA C 50 55.380 55.380 55.123 0.257 19533 2346 1 6 . 1 1 50 50 HIS CB C 50 32.950 32.950 32.780 0.170 19533 2347 1 6 . 1 1 50 50 HIS H H 50 8.350 8.350 8.357 -0.007 19533 2348 1 6 . 1 1 51 51 LYS N N 51 117.460 117.460 119.951 -2.491 19533 2349 1 6 . 1 1 51 51 LYS HA H 51 5.770 5.770 5.667 0.103 19533 2350 1 6 . 1 1 51 51 LYS C C 51 177.900 177.900 175.422 2.478 19533 2351 1 6 . 1 1 51 51 LYS CA C 51 55.210 55.210 55.067 0.143 19533 2352 1 6 . 1 1 51 51 LYS CB C 51 39.360 39.360 36.248 3.112 19533 2353 1 6 . 1 1 51 51 LYS H H 51 8.940 8.940 8.682 0.258 19533 2354 1 6 . 1 1 52 52 ARG N N 52 120.830 120.830 120.802 0.028 19533 2355 1 6 . 1 1 52 52 ARG HA H 52 5.240 5.240 5.001 0.239 19533 2356 1 6 . 1 1 52 52 ARG C C 52 173.860 173.860 174.234 -0.374 19533 2357 1 6 . 1 1 52 52 ARG CA C 52 53.070 53.070 54.881 -1.811 19533 2358 1 6 . 1 1 52 52 ARG CB C 52 34.830 34.830 34.335 0.495 19533 2359 1 6 . 1 1 52 52 ARG H H 52 8.990 8.990 8.871 0.119 19533 2360 1 6 . 1 1 53 53 LEU N N 53 122.250 122.250 124.284 -2.034 19533 2361 1 6 . 1 1 53 53 LEU HA H 53 5.440 5.440 5.456 -0.016 19533 2362 1 6 . 1 1 53 53 LEU C C 53 176.140 176.140 174.665 1.475 19533 2363 1 6 . 1 1 53 53 LEU CA C 53 53.800 53.800 53.583 0.217 19533 2364 1 6 . 1 1 53 53 LEU CB C 53 46.410 46.410 46.292 0.118 19533 2365 1 6 . 1 1 53 53 LEU H H 53 8.880 8.880 9.210 -0.330 19533 2366 1 6 . 1 1 54 54 ILE N N 54 124.790 124.790 127.255 -2.465 19533 2367 1 6 . 1 1 54 54 ILE HA H 54 4.420 4.420 4.578 -0.158 19533 2368 1 6 . 1 1 54 54 ILE C C 54 173.160 173.160 174.603 -1.443 19533 2369 1 6 . 1 1 54 54 ILE CA C 54 61.420 61.420 60.281 1.139 19533 2370 1 6 . 1 1 54 54 ILE CB C 54 43.480 43.480 40.138 3.342 19533 2371 1 6 . 1 1 54 54 ILE H H 54 9.280 9.280 9.083 0.197 19533 2372 1 6 . 1 1 55 55 ASP N N 55 126.260 126.260 128.236 -1.976 19533 2373 1 6 . 1 1 55 55 ASP HA H 55 5.800 5.800 5.225 0.575 19533 2374 1 6 . 1 1 55 55 ASP C C 55 175.300 175.300 175.376 -0.076 19533 2375 1 6 . 1 1 55 55 ASP CA C 55 53.120 53.120 53.154 -0.034 19533 2376 1 6 . 1 1 55 55 ASP CB C 55 43.530 43.530 42.867 0.663 19533 2377 1 6 . 1 1 55 55 ASP H H 55 8.560 8.560 8.579 -0.019 19533 2378 1 6 . 1 1 56 56 ILE N N 56 122.260 122.260 121.287 0.973 19533 2379 1 6 . 1 1 56 56 ILE HA H 56 4.620 4.620 4.642 -0.022 19533 2380 1 6 . 1 1 56 56 ILE C C 56 174.610 174.610 175.322 -0.712 19533 2381 1 6 . 1 1 56 56 ILE CA C 56 60.160 60.160 60.302 -0.142 19533 2382 1 6 . 1 1 56 56 ILE CB C 56 38.520 38.520 41.020 -2.501 19533 2383 1 6 . 1 1 56 56 ILE H H 56 9.100 9.100 8.543 0.558 19533 2384 1 6 . 1 1 57 57 ILE N N 57 128.860 128.860 127.089 1.771 19533 2385 1 6 . 1 1 57 57 ILE HA H 57 4.200 4.200 4.356 -0.156 19533 2386 1 6 . 1 1 57 57 ILE C C 57 174.350 174.350 175.204 -0.854 19533 2387 1 6 . 1 1 57 57 ILE CA C 57 60.810 60.810 60.197 0.614 19533 2388 1 6 . 1 1 57 57 ILE CB C 57 39.300 39.300 40.660 -1.360 19533 2389 1 6 . 1 1 57 57 ILE H H 57 8.480 8.480 9.003 -0.523 19533 2390 1 6 . 1 1 58 58 ASP N N 58 122.140 122.140 123.283 -1.143 19533 2391 1 6 . 1 1 58 58 ASP HA H 58 4.450 4.450 4.379 0.071 19533 2392 1 6 . 1 1 58 58 ASP CA C 58 55.110 55.110 54.377 0.733 19533 2393 1 6 . 1 1 58 58 ASP CB C 58 39.500 39.500 40.571 -1.071 19533 2394 1 6 . 1 1 58 58 ASP H H 58 8.760 8.760 8.438 0.322 19533 2395 1 6 . 1 1 59 59 PRO HA H 59 4.430 4.430 4.464 -0.034 19533 2396 1 6 . 1 1 59 59 PRO C C 59 176.690 176.690 176.092 0.598 19533 2397 1 6 . 1 1 59 59 PRO CA C 59 62.260 62.260 63.009 -0.749 19533 2398 1 6 . 1 1 59 59 PRO CB C 59 31.590 31.590 32.595 -1.005 19533 2399 1 6 . 1 1 60 60 SER N N 60 117.890 117.890 118.299 -0.409 19533 2400 1 6 . 1 1 60 60 SER HA H 60 4.920 4.920 4.948 -0.028 19533 2401 1 6 . 1 1 60 60 SER CA C 60 56.020 56.020 55.685 0.335 19533 2402 1 6 . 1 1 60 60 SER CB C 60 64.140 64.140 64.422 -0.282 19533 2403 1 6 . 1 1 60 60 SER H H 60 8.050 8.050 7.901 0.149 19533 2404 1 6 . 1 1 61 61 PRO HA H 61 4.240 4.240 4.425 -0.185 19533 2405 1 6 . 1 1 61 61 PRO CA C 61 66.000 66.000 64.837 1.163 19533 2406 1 6 . 1 1 61 61 PRO CB C 61 32.100 32.100 31.973 0.127 19533 2407 1 6 . 1 1 62 62 LYS HA H 62 4.150 4.150 4.126 0.024 19533 2408 1 6 . 1 1 62 62 LYS C C 62 179.040 179.040 178.480 0.560 19533 2409 1 6 . 1 1 62 62 LYS CA C 62 58.690 58.690 59.135 -0.445 19533 2410 1 6 . 1 1 62 62 LYS CB C 62 32.330 32.330 32.225 0.105 19533 2411 1 6 . 1 1 63 63 THR N N 63 118.760 118.760 115.916 2.844 19533 2412 1 6 . 1 1 63 63 THR HA H 63 3.880 3.880 4.147 -0.267 19533 2413 1 6 . 1 1 63 63 THR C C 63 175.480 175.480 176.244 -0.764 19533 2414 1 6 . 1 1 63 63 THR CA C 63 66.680 66.680 66.862 -0.182 19533 2415 1 6 . 1 1 63 63 THR CB C 63 68.380 68.380 68.751 -0.372 19533 2416 1 6 . 1 1 63 63 THR H H 63 7.940 7.940 7.462 0.478 19533 2417 1 6 . 1 1 64 64 ILE N N 64 119.800 119.800 122.003 -2.203 19533 2418 1 6 . 1 1 64 64 ILE HA H 64 3.460 3.460 3.634 -0.174 19533 2419 1 6 . 1 1 64 64 ILE C C 64 176.830 176.830 177.387 -0.557 19533 2420 1 6 . 1 1 64 64 ILE CA C 64 65.180 65.180 65.434 -0.254 19533 2421 1 6 . 1 1 64 64 ILE CB C 64 36.720 36.720 37.607 -0.887 19533 2422 1 6 . 1 1 64 64 ILE H H 64 7.620 7.620 7.384 0.236 19533 2423 1 6 . 1 1 65 65 ASP N N 65 118.090 118.090 120.170 -2.080 19533 2424 1 6 . 1 1 65 65 ASP HA H 65 4.220 4.220 4.276 -0.056 19533 2425 1 6 . 1 1 65 65 ASP C C 65 177.620 177.620 178.063 -0.443 19533 2426 1 6 . 1 1 65 65 ASP CA C 65 57.910 57.910 57.194 0.716 19533 2427 1 6 . 1 1 65 65 ASP CB C 65 42.150 42.150 40.631 1.519 19533 2428 1 6 . 1 1 65 65 ASP H H 65 7.790 7.790 7.786 0.004 19533 2429 1 6 . 1 1 66 66 ALA N N 66 118.370 118.370 121.653 -3.283 19533 2430 1 6 . 1 1 66 66 ALA HA H 66 3.950 3.950 4.084 -0.134 19533 2431 1 6 . 1 1 66 66 ALA C C 66 181.140 181.140 179.761 1.379 19533 2432 1 6 . 1 1 66 66 ALA CA C 66 54.970 54.970 54.880 0.090 19533 2433 1 6 . 1 1 66 66 ALA CB C 66 18.670 18.670 18.447 0.223 19533 2434 1 6 . 1 1 66 66 ALA H H 66 7.620 7.620 7.561 0.059 19533 2435 1 6 . 1 1 67 67 LEU N N 67 118.030 118.030 119.592 -1.562 19533 2436 1 6 . 1 1 67 67 LEU HA H 67 3.950 3.950 4.028 -0.078 19533 2437 1 6 . 1 1 67 67 LEU C C 67 178.210 178.210 178.279 -0.069 19533 2438 1 6 . 1 1 67 67 LEU CA C 67 57.420 57.420 57.753 -0.333 19533 2439 1 6 . 1 1 67 67 LEU CB C 67 42.100 42.100 42.052 0.048 19533 2440 1 6 . 1 1 67 67 LEU H H 67 8.180 8.180 7.477 0.703 19533 2441 1 6 . 1 1 68 68 MET N N 68 114.280 114.280 115.840 -1.560 19533 2442 1 6 . 1 1 68 68 MET HA H 68 4.260 4.260 4.177 0.083 19533 2443 1 6 . 1 1 68 68 MET C C 68 177.050 177.050 178.462 -1.412 19533 2444 1 6 . 1 1 68 68 MET CA C 68 56.990 56.990 58.085 -1.095 19533 2445 1 6 . 1 1 68 68 MET CB C 68 32.390 32.390 32.669 -0.279 19533 2446 1 6 . 1 1 68 68 MET H H 68 7.770 7.770 7.764 0.006 19533 2447 1 6 . 1 1 69 69 ARG N N 69 115.480 115.480 117.368 -1.888 19533 2448 1 6 . 1 1 69 69 ARG HA H 69 4.410 4.410 4.295 0.115 19533 2449 1 6 . 1 1 69 69 ARG C C 69 176.480 176.480 176.982 -0.502 19533 2450 1 6 . 1 1 69 69 ARG CA C 69 55.560 55.560 57.705 -2.145 19533 2451 1 6 . 1 1 69 69 ARG CB C 69 30.970 30.970 31.223 -0.253 19533 2452 1 6 . 1 1 69 69 ARG H H 69 7.180 7.180 7.524 -0.344 19533 2453 1 6 . 1 1 70 70 ILE N N 70 119.930 119.930 120.031 -0.101 19533 2454 1 6 . 1 1 70 70 ILE HA H 70 3.930 3.930 4.133 -0.203 19533 2455 1 6 . 1 1 70 70 ILE CA C 70 62.270 62.270 60.554 1.716 19533 2456 1 6 . 1 1 70 70 ILE CB C 70 39.050 39.050 39.360 -0.310 19533 2457 1 6 . 1 1 70 70 ILE H H 70 7.070 7.070 7.546 -0.476 19533 2458 1 6 . 1 1 71 71 ASN HA H 71 4.860 4.860 4.931 -0.071 19533 2459 1 6 . 1 1 71 71 ASN C C 71 174.190 174.190 175.373 -1.183 19533 2460 1 6 . 1 1 71 71 ASN CA C 71 52.330 52.330 51.778 0.552 19533 2461 1 6 . 1 1 71 71 ASN CB C 71 39.180 39.180 39.661 -0.481 19533 2462 1 6 . 1 1 72 72 LEU N N 72 125.700 125.700 122.588 3.112 19533 2463 1 6 . 1 1 72 72 LEU HA H 72 4.610 4.610 4.494 0.116 19533 2464 1 6 . 1 1 72 72 LEU CA C 72 52.410 52.410 53.638 -1.228 19533 2465 1 6 . 1 1 72 72 LEU CB C 72 41.670 41.670 41.037 0.633 19533 2466 1 6 . 1 1 72 72 LEU H H 72 8.440 8.440 8.255 0.185 19533 2467 1 6 . 1 1 73 73 PRO HA H 73 4.420 4.420 4.460 -0.040 19533 2468 1 6 . 1 1 73 73 PRO C C 73 176.110 176.110 176.239 -0.129 19533 2469 1 6 . 1 1 73 73 PRO CA C 73 62.240 62.240 62.323 -0.083 19533 2470 1 6 . 1 1 73 73 PRO CB C 73 32.450 32.450 32.448 0.002 19533 2471 1 6 . 1 1 74 74 ALA N N 74 123.290 123.290 123.138 0.152 19533 2472 1 6 . 1 1 74 74 ALA HA H 74 4.170 4.170 4.093 0.077 19533 2473 1 6 . 1 1 74 74 ALA C C 74 178.430 178.430 178.695 -0.265 19533 2474 1 6 . 1 1 74 74 ALA CA C 74 53.550 53.550 53.051 0.499 19533 2475 1 6 . 1 1 74 74 ALA CB C 74 18.300 18.300 18.828 -0.529 19533 2476 1 6 . 1 1 74 74 ALA H H 74 8.160 8.160 8.194 -0.034 19533 2477 1 6 . 1 1 75 75 GLY N N 75 106.750 106.750 109.464 -2.714 19533 2478 1 6 . 1 1 75 75 GLY C C 75 174.140 174.140 173.501 0.639 19533 2479 1 6 . 1 1 75 75 GLY CA C 75 45.020 45.020 45.033 -0.013 19533 2480 1 6 . 1 1 75 75 GLY H H 75 8.420 8.420 8.492 -0.072 19533 2481 1 6 . 1 1 76 76 VAL N N 76 120.550 120.550 119.340 1.210 19533 2482 1 6 . 1 1 76 76 VAL HA H 76 4.660 4.660 4.682 -0.022 19533 2483 1 6 . 1 1 76 76 VAL C C 76 174.120 174.120 174.188 -0.068 19533 2484 1 6 . 1 1 76 76 VAL CA C 76 61.070 61.070 60.292 0.778 19533 2485 1 6 . 1 1 76 76 VAL CB C 76 32.960 32.960 34.438 -1.478 19533 2486 1 6 . 1 1 76 76 VAL H H 76 7.460 7.460 7.423 0.037 19533 2487 1 6 . 1 1 77 77 ASP N N 77 128.070 128.070 123.611 4.459 19533 2488 1 6 . 1 1 77 77 ASP HA H 77 4.970 4.970 4.875 0.095 19533 2489 1 6 . 1 1 77 77 ASP C C 77 175.020 175.020 174.439 0.581 19533 2490 1 6 . 1 1 77 77 ASP CA C 77 53.550 53.550 52.270 1.280 19533 2491 1 6 . 1 1 77 77 ASP CB C 77 43.840 43.840 44.964 -1.124 19533 2492 1 6 . 1 1 77 77 ASP H H 77 8.950 8.950 8.378 0.572 19533 2493 1 6 . 1 1 78 78 VAL N N 78 122.000 122.000 121.640 0.360 19533 2494 1 6 . 1 1 78 78 VAL HA H 78 4.850 4.850 4.919 -0.069 19533 2495 1 6 . 1 1 78 78 VAL C C 78 174.280 174.280 174.317 -0.037 19533 2496 1 6 . 1 1 78 78 VAL CA C 78 60.720 60.720 60.142 0.578 19533 2497 1 6 . 1 1 78 78 VAL CB C 78 34.600 34.600 35.343 -0.743 19533 2498 1 6 . 1 1 78 78 VAL H H 78 8.460 8.460 8.345 0.115 19533 2499 1 6 . 1 1 79 79 GLU N N 79 127.380 127.380 128.747 -1.367 19533 2500 1 6 . 1 1 79 79 GLU CA C 79 54.800 54.800 55.456 -0.656 19533 2501 1 6 . 1 1 79 79 GLU CB C 79 33.610 33.610 31.530 2.080 19533 2502 1 6 . 1 1 79 79 GLU H H 79 8.820 8.820 8.141 0.679 19533 2503 1 7 . 1 1 3 3 GLY C C 3 174.400 174.400 174.600 -0.200 19533 2504 1 7 . 1 1 3 3 GLY CA C 3 45.570 45.570 44.147 1.423 19533 2505 1 7 . 1 1 4 4 GLY N N 4 109.110 109.110 106.316 2.794 19533 2506 1 7 . 1 1 4 4 GLY C C 4 174.070 174.070 174.344 -0.274 19533 2507 1 7 . 1 1 4 4 GLY CA C 4 45.410 45.410 44.994 0.416 19533 2508 1 7 . 1 1 4 4 GLY H H 4 8.380 8.380 8.446 -0.066 19533 2509 1 7 . 1 1 5 5 GLN N N 5 119.810 119.810 119.923 -0.113 19533 2510 1 7 . 1 1 5 5 GLN HA H 5 4.470 4.470 4.681 -0.211 19533 2511 1 7 . 1 1 5 5 GLN C C 5 174.980 174.980 174.253 0.727 19533 2512 1 7 . 1 1 5 5 GLN CA C 5 56.300 56.300 54.612 1.688 19533 2513 1 7 . 1 1 5 5 GLN CB C 5 30.080 30.080 31.589 -1.509 19533 2514 1 7 . 1 1 5 5 GLN H H 5 8.280 8.280 8.276 0.004 19533 2515 1 7 . 1 1 6 6 LYS N N 6 120.240 120.240 118.870 1.370 19533 2516 1 7 . 1 1 6 6 LYS HA H 6 5.080 5.080 5.070 0.010 19533 2517 1 7 . 1 1 6 6 LYS C C 6 175.110 175.110 175.146 -0.036 19533 2518 1 7 . 1 1 6 6 LYS CA C 6 55.330 55.330 54.801 0.529 19533 2519 1 7 . 1 1 6 6 LYS CB C 6 35.450 35.450 35.431 0.019 19533 2520 1 7 . 1 1 6 6 LYS H H 6 8.080 8.080 8.311 -0.231 19533 2521 1 7 . 1 1 7 7 ILE N N 7 120.690 120.690 122.577 -1.887 19533 2522 1 7 . 1 1 7 7 ILE HA H 7 4.540 4.540 4.394 0.146 19533 2523 1 7 . 1 1 7 7 ILE C C 7 173.880 173.880 175.020 -1.140 19533 2524 1 7 . 1 1 7 7 ILE CA C 7 60.520 60.520 60.221 0.299 19533 2525 1 7 . 1 1 7 7 ILE CB C 7 40.830 40.830 40.920 -0.090 19533 2526 1 7 . 1 1 7 7 ILE H H 7 8.770 8.770 8.507 0.263 19533 2527 1 7 . 1 1 8 8 ARG N N 8 127.060 127.060 124.728 2.332 19533 2528 1 7 . 1 1 8 8 ARG HA H 8 5.330 5.330 5.442 -0.112 19533 2529 1 7 . 1 1 8 8 ARG C C 8 174.690 174.690 175.367 -0.677 19533 2530 1 7 . 1 1 8 8 ARG CA C 8 55.070 55.070 54.580 0.490 19533 2531 1 7 . 1 1 8 8 ARG CB C 8 32.370 32.370 33.474 -1.104 19533 2532 1 7 . 1 1 8 8 ARG H H 8 8.480 8.480 8.486 -0.006 19533 2533 1 7 . 1 1 9 9 ILE N N 9 127.670 127.670 124.037 3.633 19533 2534 1 7 . 1 1 9 9 ILE HA H 9 4.800 4.800 4.416 0.384 19533 2535 1 7 . 1 1 9 9 ILE C C 9 174.380 174.380 174.876 -0.496 19533 2536 1 7 . 1 1 9 9 ILE CA C 9 60.240 60.240 60.125 0.115 19533 2537 1 7 . 1 1 9 9 ILE CB C 9 39.860 39.860 41.326 -1.466 19533 2538 1 7 . 1 1 9 9 ILE H H 9 9.540 9.540 8.780 0.760 19533 2539 1 7 . 1 1 10 10 LYS N N 10 127.240 127.240 126.641 0.599 19533 2540 1 7 . 1 1 10 10 LYS HA H 10 5.220 5.220 5.247 -0.027 19533 2541 1 7 . 1 1 10 10 LYS C C 10 175.130 175.130 175.588 -0.458 19533 2542 1 7 . 1 1 10 10 LYS CA C 10 54.760 54.760 55.106 -0.346 19533 2543 1 7 . 1 1 10 10 LYS CB C 10 34.940 34.940 34.773 0.167 19533 2544 1 7 . 1 1 10 10 LYS H H 10 9.050 9.050 8.403 0.647 19533 2545 1 7 . 1 1 11 11 LEU N N 11 124.480 124.480 124.808 -0.328 19533 2546 1 7 . 1 1 11 11 LEU HA H 11 5.450 5.450 5.528 -0.078 19533 2547 1 7 . 1 1 11 11 LEU C C 11 176.000 176.000 176.413 -0.413 19533 2548 1 7 . 1 1 11 11 LEU CA C 11 53.320 53.320 52.963 0.357 19533 2549 1 7 . 1 1 11 11 LEU CB C 11 46.960 46.960 44.200 2.760 19533 2550 1 7 . 1 1 11 11 LEU H H 11 8.790 8.790 9.058 -0.268 19533 2551 1 7 . 1 1 12 12 LYS N N 12 119.690 119.690 121.793 -2.103 19533 2552 1 7 . 1 1 12 12 LYS HA H 12 5.570 5.570 5.180 0.390 19533 2553 1 7 . 1 1 12 12 LYS C C 12 174.610 174.610 174.931 -0.321 19533 2554 1 7 . 1 1 12 12 LYS CA C 12 54.600 54.600 54.947 -0.347 19533 2555 1 7 . 1 1 12 12 LYS CB C 12 36.480 36.480 35.766 0.714 19533 2556 1 7 . 1 1 12 12 LYS H H 12 8.550 8.550 8.262 0.288 19533 2557 1 7 . 1 1 13 13 ALA N N 13 120.780 120.780 125.569 -4.789 19533 2558 1 7 . 1 1 13 13 ALA HA H 13 4.720 4.720 4.608 0.112 19533 2559 1 7 . 1 1 13 13 ALA C C 13 176.120 176.120 176.266 -0.146 19533 2560 1 7 . 1 1 13 13 ALA CA C 13 52.230 52.230 51.798 0.432 19533 2561 1 7 . 1 1 13 13 ALA CB C 13 24.780 24.780 21.525 3.255 19533 2562 1 7 . 1 1 13 13 ALA H H 13 8.740 8.740 8.110 0.630 19533 2563 1 7 . 1 1 14 14 TYR N N 14 117.810 117.810 120.613 -2.803 19533 2564 1 7 . 1 1 14 14 TYR HA H 14 4.920 4.920 4.450 0.470 19533 2565 1 7 . 1 1 14 14 TYR C C 14 175.960 175.960 176.596 -0.636 19533 2566 1 7 . 1 1 14 14 TYR CA C 14 59.790 59.790 60.987 -1.197 19533 2567 1 7 . 1 1 14 14 TYR CB C 14 38.840 38.840 38.804 0.036 19533 2568 1 7 . 1 1 14 14 TYR H H 14 8.670 8.670 8.840 -0.170 19533 2569 1 7 . 1 1 15 15 ASP N N 15 118.650 118.650 117.878 0.772 19533 2570 1 7 . 1 1 15 15 ASP HA H 15 4.890 4.890 4.904 -0.014 19533 2571 1 7 . 1 1 15 15 ASP C C 15 175.980 175.980 176.533 -0.553 19533 2572 1 7 . 1 1 15 15 ASP CA C 15 52.830 52.830 53.829 -0.999 19533 2573 1 7 . 1 1 15 15 ASP CB C 15 42.420 42.420 41.493 0.927 19533 2574 1 7 . 1 1 15 15 ASP H H 15 7.390 7.390 8.161 -0.771 19533 2575 1 7 . 1 1 16 16 HIS N N 16 124.080 124.080 123.416 0.664 19533 2576 1 7 . 1 1 16 16 HIS HA H 16 3.830 3.830 4.246 -0.416 19533 2577 1 7 . 1 1 16 16 HIS C C 16 176.000 176.000 176.100 -0.100 19533 2578 1 7 . 1 1 16 16 HIS CA C 16 59.190 59.190 59.236 -0.046 19533 2579 1 7 . 1 1 16 16 HIS CB C 16 29.030 29.030 29.078 -0.048 19533 2580 1 7 . 1 1 16 16 HIS H H 16 8.190 8.190 8.546 -0.356 19533 2581 1 7 . 1 1 17 17 GLU N N 17 121.830 121.830 119.204 2.626 19533 2582 1 7 . 1 1 17 17 GLU HA H 17 4.040 4.040 3.941 0.099 19533 2583 1 7 . 1 1 17 17 GLU C C 17 179.540 179.540 178.740 0.800 19533 2584 1 7 . 1 1 17 17 GLU CA C 17 59.520 59.520 59.110 0.410 19533 2585 1 7 . 1 1 17 17 GLU CB C 17 29.020 29.020 28.338 0.682 19533 2586 1 7 . 1 1 17 17 GLU H H 17 7.740 7.740 8.061 -0.321 19533 2587 1 7 . 1 1 18 18 LEU N N 18 121.120 121.120 119.129 1.991 19533 2588 1 7 . 1 1 18 18 LEU HA H 18 4.030 4.030 4.125 -0.096 19533 2589 1 7 . 1 1 18 18 LEU C C 18 180.600 180.600 179.364 1.236 19533 2590 1 7 . 1 1 18 18 LEU CA C 18 57.050 57.050 57.339 -0.289 19533 2591 1 7 . 1 1 18 18 LEU CB C 18 42.390 42.390 41.684 0.706 19533 2592 1 7 . 1 1 18 18 LEU H H 18 7.510 7.510 7.912 -0.402 19533 2593 1 7 . 1 1 19 19 LEU N N 19 121.190 121.190 119.318 1.872 19533 2594 1 7 . 1 1 19 19 LEU HA H 19 3.750 3.750 3.924 -0.174 19533 2595 1 7 . 1 1 19 19 LEU C C 19 177.580 177.580 178.737 -1.157 19533 2596 1 7 . 1 1 19 19 LEU CA C 19 57.950 57.950 58.031 -0.081 19533 2597 1 7 . 1 1 19 19 LEU CB C 19 42.100 42.100 41.218 0.882 19533 2598 1 7 . 1 1 19 19 LEU H H 19 7.780 7.780 7.280 0.500 19533 2599 1 7 . 1 1 20 20 ASP N N 20 119.750 119.750 119.652 0.098 19533 2600 1 7 . 1 1 20 20 ASP HA H 20 4.490 4.490 4.318 0.172 19533 2601 1 7 . 1 1 20 20 ASP C C 20 179.450 179.450 178.443 1.007 19533 2602 1 7 . 1 1 20 20 ASP CA C 20 58.070 58.070 57.824 0.246 19533 2603 1 7 . 1 1 20 20 ASP CB C 20 40.130 40.130 40.624 -0.494 19533 2604 1 7 . 1 1 20 20 ASP H H 20 8.150 8.150 8.077 0.073 19533 2605 1 7 . 1 1 21 21 GLU N N 21 120.710 120.710 119.585 1.125 19533 2606 1 7 . 1 1 21 21 GLU HA H 21 4.080 4.080 4.039 0.041 19533 2607 1 7 . 1 1 21 21 GLU C C 21 179.370 179.370 178.777 0.593 19533 2608 1 7 . 1 1 21 21 GLU CA C 21 59.210 59.210 59.492 -0.282 19533 2609 1 7 . 1 1 21 21 GLU CB C 21 29.650 29.650 29.808 -0.158 19533 2610 1 7 . 1 1 21 21 GLU H H 21 8.050 8.050 7.782 0.268 19533 2611 1 7 . 1 1 22 22 SER N N 22 116.150 116.150 115.596 0.554 19533 2612 1 7 . 1 1 22 22 SER HA H 22 4.090 4.090 4.129 -0.039 19533 2613 1 7 . 1 1 22 22 SER C C 22 175.000 175.000 176.456 -1.456 19533 2614 1 7 . 1 1 22 22 SER CA C 22 62.900 62.900 61.699 1.201 19533 2615 1 7 . 1 1 22 22 SER CB C 22 62.900 62.900 62.998 -0.098 19533 2616 1 7 . 1 1 22 22 SER H H 22 7.950 7.950 7.899 0.051 19533 2617 1 7 . 1 1 23 23 ALA N N 23 123.240 123.240 123.960 -0.720 19533 2618 1 7 . 1 1 23 23 ALA HA H 23 3.760 3.760 4.079 -0.319 19533 2619 1 7 . 1 1 23 23 ALA C C 23 178.540 178.540 179.129 -0.589 19533 2620 1 7 . 1 1 23 23 ALA CA C 23 55.190 55.190 55.320 -0.130 19533 2621 1 7 . 1 1 23 23 ALA CB C 23 17.870 17.870 18.200 -0.330 19533 2622 1 7 . 1 1 23 23 ALA H H 23 8.560 8.560 8.511 0.049 19533 2623 1 7 . 1 1 24 24 LYS N N 24 116.780 116.780 119.027 -2.247 19533 2624 1 7 . 1 1 24 24 LYS HA H 24 3.840 3.840 3.889 -0.049 19533 2625 1 7 . 1 1 24 24 LYS C C 24 178.720 178.720 178.702 0.018 19533 2626 1 7 . 1 1 24 24 LYS CA C 24 59.940 59.940 59.831 0.109 19533 2627 1 7 . 1 1 24 24 LYS CB C 24 32.250 32.250 32.284 -0.034 19533 2628 1 7 . 1 1 24 24 LYS H H 24 7.750 7.750 8.154 -0.404 19533 2629 1 7 . 1 1 25 25 LYS N N 25 118.950 118.950 119.185 -0.235 19533 2630 1 7 . 1 1 25 25 LYS HA H 25 4.040 4.040 4.008 0.032 19533 2631 1 7 . 1 1 25 25 LYS C C 25 178.720 178.720 179.297 -0.577 19533 2632 1 7 . 1 1 25 25 LYS CA C 25 59.000 59.000 59.612 -0.612 19533 2633 1 7 . 1 1 25 25 LYS CB C 25 32.120 32.120 32.338 -0.218 19533 2634 1 7 . 1 1 25 25 LYS H H 25 7.580 7.580 7.731 -0.151 19533 2635 1 7 . 1 1 26 26 ILE N N 26 118.310 118.310 120.171 -1.861 19533 2636 1 7 . 1 1 26 26 ILE HA H 26 3.470 3.470 3.827 -0.357 19533 2637 1 7 . 1 1 26 26 ILE CA C 26 65.060 65.060 63.540 1.520 19533 2638 1 7 . 1 1 26 26 ILE CB C 26 36.720 36.720 36.544 0.176 19533 2639 1 7 . 1 1 26 26 ILE H H 26 7.610 7.610 7.686 -0.076 19533 2640 1 7 . 1 1 27 27 VAL N N 27 118.900 118.900 121.250 -2.350 19533 2641 1 7 . 1 1 27 27 VAL HA H 27 3.390 3.390 3.538 -0.148 19533 2642 1 7 . 1 1 27 27 VAL C C 27 177.550 177.550 178.479 -0.929 19533 2643 1 7 . 1 1 27 27 VAL CA C 27 67.630 67.630 67.098 0.532 19533 2644 1 7 . 1 1 27 27 VAL CB C 27 31.420 31.420 30.893 0.527 19533 2645 1 7 . 1 1 27 27 VAL H H 27 7.950 7.950 8.870 -0.920 19533 2646 1 7 . 1 1 28 28 GLU N N 28 118.800 118.800 120.048 -1.248 19533 2647 1 7 . 1 1 28 28 GLU HA H 28 3.980 3.980 4.070 -0.090 19533 2648 1 7 . 1 1 28 28 GLU C C 28 180.130 180.130 179.621 0.509 19533 2649 1 7 . 1 1 28 28 GLU CA C 28 59.740 59.740 59.489 0.251 19533 2650 1 7 . 1 1 28 28 GLU CB C 28 29.380 29.380 29.301 0.079 19533 2651 1 7 . 1 1 28 28 GLU H H 28 8.180 8.180 8.489 -0.309 19533 2652 1 7 . 1 1 29 29 VAL N N 29 120.730 120.730 119.960 0.770 19533 2653 1 7 . 1 1 29 29 VAL HA H 29 3.710 3.710 3.663 0.047 19533 2654 1 7 . 1 1 29 29 VAL C C 29 179.240 179.240 178.243 0.997 19533 2655 1 7 . 1 1 29 29 VAL CA C 29 66.290 66.290 66.103 0.187 19533 2656 1 7 . 1 1 29 29 VAL CB C 29 31.420 31.420 31.654 -0.234 19533 2657 1 7 . 1 1 29 29 VAL H H 29 8.120 8.120 8.319 -0.199 19533 2658 1 7 . 1 1 30 30 ALA N N 30 123.770 123.770 121.885 1.885 19533 2659 1 7 . 1 1 30 30 ALA HA H 30 3.880 3.880 3.994 -0.114 19533 2660 1 7 . 1 1 30 30 ALA C C 30 179.630 179.630 179.357 0.273 19533 2661 1 7 . 1 1 30 30 ALA CA C 30 55.560 55.560 55.250 0.310 19533 2662 1 7 . 1 1 30 30 ALA CB C 30 18.000 18.000 18.415 -0.415 19533 2663 1 7 . 1 1 30 30 ALA H H 30 8.310 8.310 8.477 -0.167 19533 2664 1 7 . 1 1 31 31 LYS N N 31 118.260 118.260 118.476 -0.216 19533 2665 1 7 . 1 1 31 31 LYS HA H 31 4.200 4.200 3.985 0.215 19533 2666 1 7 . 1 1 31 31 LYS C C 31 180.710 180.710 177.972 2.738 19533 2667 1 7 . 1 1 31 31 LYS CA C 31 59.910 59.910 59.011 0.899 19533 2668 1 7 . 1 1 31 31 LYS CB C 31 32.270 32.270 32.533 -0.263 19533 2669 1 7 . 1 1 31 31 LYS H H 31 8.710 8.710 8.523 0.187 19533 2670 1 7 . 1 1 32 32 SER N N 32 115.760 115.760 110.827 4.933 19533 2671 1 7 . 1 1 32 32 SER HA H 32 4.380 4.380 4.263 0.117 19533 2672 1 7 . 1 1 32 32 SER C C 32 175.120 175.120 175.357 -0.237 19533 2673 1 7 . 1 1 32 32 SER CA C 32 61.300 61.300 59.996 1.304 19533 2674 1 7 . 1 1 32 32 SER CB C 32 63.220 63.220 63.479 -0.259 19533 2675 1 7 . 1 1 32 32 SER H H 32 8.310 8.310 7.768 0.542 19533 2676 1 7 . 1 1 33 33 THR N N 33 108.990 108.990 112.845 -3.855 19533 2677 1 7 . 1 1 33 33 THR HA H 33 4.490 4.490 4.420 0.070 19533 2678 1 7 . 1 1 33 33 THR C C 33 173.390 173.390 174.811 -1.421 19533 2679 1 7 . 1 1 33 33 THR CA C 33 60.910 60.910 60.727 0.183 19533 2680 1 7 . 1 1 33 33 THR CB C 33 68.860 68.860 70.504 -1.644 19533 2681 1 7 . 1 1 33 33 THR H H 33 7.330 7.330 7.582 -0.252 19533 2682 1 7 . 1 1 34 34 ASN N N 34 115.250 115.250 118.165 -2.915 19533 2683 1 7 . 1 1 34 34 ASN HA H 34 4.450 4.450 4.592 -0.142 19533 2684 1 7 . 1 1 34 34 ASN C C 34 174.490 174.490 175.969 -1.479 19533 2685 1 7 . 1 1 34 34 ASN CA C 34 54.800 54.800 54.578 0.222 19533 2686 1 7 . 1 1 34 34 ASN CB C 34 37.160 37.160 38.286 -1.126 19533 2687 1 7 . 1 1 34 34 ASN H H 34 7.910 7.910 8.720 -0.810 19533 2688 1 7 . 1 1 35 35 SER N N 35 113.160 113.160 115.481 -2.321 19533 2689 1 7 . 1 1 35 35 SER HA H 35 4.830 4.830 4.505 0.325 19533 2690 1 7 . 1 1 35 35 SER C C 35 173.250 173.250 173.470 -0.220 19533 2691 1 7 . 1 1 35 35 SER CA C 35 58.550 58.550 58.843 -0.293 19533 2692 1 7 . 1 1 35 35 SER CB C 35 64.910 64.910 64.665 0.245 19533 2693 1 7 . 1 1 35 35 SER H H 35 7.800 7.800 7.910 -0.110 19533 2694 1 7 . 1 1 36 36 LYS N N 36 123.770 123.770 121.473 2.297 19533 2695 1 7 . 1 1 36 36 LYS HA H 36 4.420 4.420 4.635 -0.215 19533 2696 1 7 . 1 1 36 36 LYS C C 36 175.270 175.270 175.036 0.234 19533 2697 1 7 . 1 1 36 36 LYS CA C 36 56.290 56.290 55.442 0.848 19533 2698 1 7 . 1 1 36 36 LYS CB C 36 33.390 33.390 35.587 -2.197 19533 2699 1 7 . 1 1 36 36 LYS H H 36 8.390 8.390 8.220 0.170 19533 2700 1 7 . 1 1 37 37 VAL N N 37 119.710 119.710 121.918 -2.208 19533 2701 1 7 . 1 1 37 37 VAL HA H 37 5.010 5.010 4.820 0.190 19533 2702 1 7 . 1 1 37 37 VAL C C 37 175.120 175.120 175.157 -0.037 19533 2703 1 7 . 1 1 37 37 VAL CA C 37 59.800 59.800 61.163 -1.363 19533 2704 1 7 . 1 1 37 37 VAL CB C 37 35.260 35.260 34.667 0.593 19533 2705 1 7 . 1 1 37 37 VAL H H 37 8.130 8.130 8.431 -0.301 19533 2706 1 7 . 1 1 38 38 SER N N 38 121.650 121.650 120.633 1.017 19533 2707 1 7 . 1 1 38 38 SER HA H 38 4.810 4.810 4.836 -0.026 19533 2708 1 7 . 1 1 38 38 SER C C 38 173.290 173.290 173.189 0.101 19533 2709 1 7 . 1 1 38 38 SER CA C 38 56.930 56.930 56.613 0.317 19533 2710 1 7 . 1 1 38 38 SER CB C 38 64.420 64.420 64.587 -0.167 19533 2711 1 7 . 1 1 38 38 SER H H 38 9.060 9.060 9.095 -0.035 19533 2712 1 7 . 1 1 39 39 GLY N N 39 112.740 112.740 112.528 0.212 19533 2713 1 7 . 1 1 39 39 GLY CA C 39 43.180 43.180 44.683 -1.503 19533 2714 1 7 . 1 1 39 39 GLY H H 39 8.430 8.430 8.215 0.215 19533 2715 1 7 . 1 1 40 40 PRO HA H 40 4.760 4.760 4.464 0.296 19533 2716 1 7 . 1 1 40 40 PRO C C 40 175.760 175.760 175.908 -0.148 19533 2717 1 7 . 1 1 40 40 PRO CA C 40 61.350 61.350 62.840 -1.490 19533 2718 1 7 . 1 1 40 40 PRO CB C 40 34.780 34.780 32.510 2.270 19533 2719 1 7 . 1 1 41 41 ILE N N 41 125.440 125.440 124.284 1.156 19533 2720 1 7 . 1 1 41 41 ILE HA H 41 4.750 4.750 4.526 0.224 19533 2721 1 7 . 1 1 41 41 ILE CA C 41 57.700 57.700 58.591 -0.891 19533 2722 1 7 . 1 1 41 41 ILE CB C 41 40.570 40.570 38.479 2.091 19533 2723 1 7 . 1 1 41 41 ILE H H 41 9.560 9.560 8.993 0.567 19533 2724 1 7 . 1 1 42 42 PRO HA H 42 4.820 4.820 4.533 0.287 19533 2725 1 7 . 1 1 42 42 PRO C C 42 175.600 175.600 175.780 -0.180 19533 2726 1 7 . 1 1 42 42 PRO CA C 42 62.720 62.720 63.033 -0.313 19533 2727 1 7 . 1 1 42 42 PRO CB C 42 31.740 31.740 32.245 -0.505 19533 2728 1 7 . 1 1 43 43 LEU N N 43 123.010 123.010 124.147 -1.137 19533 2729 1 7 . 1 1 43 43 LEU HA H 43 4.830 4.830 4.867 -0.037 19533 2730 1 7 . 1 1 43 43 LEU CA C 43 51.960 51.960 51.625 0.335 19533 2731 1 7 . 1 1 43 43 LEU CB C 43 42.460 42.460 43.746 -1.286 19533 2732 1 7 . 1 1 43 43 LEU H H 43 7.230 7.230 8.049 -0.819 19533 2733 1 7 . 1 1 44 44 PRO HA H 44 4.370 4.370 4.584 -0.214 19533 2734 1 7 . 1 1 44 44 PRO C C 44 176.620 176.620 175.410 1.210 19533 2735 1 7 . 1 1 44 44 PRO CA C 44 63.660 63.660 62.526 1.134 19533 2736 1 7 . 1 1 44 44 PRO CB C 44 31.780 31.780 32.023 -0.243 19533 2737 1 7 . 1 1 45 45 THR N N 45 121.280 121.280 112.578 8.702 19533 2738 1 7 . 1 1 45 45 THR HA H 45 4.380 4.380 4.642 -0.262 19533 2739 1 7 . 1 1 45 45 THR CA C 45 63.240 63.240 60.191 3.049 19533 2740 1 7 . 1 1 45 45 THR CB C 45 69.520 69.520 71.597 -2.077 19533 2741 1 7 . 1 1 45 45 THR H H 45 8.360 8.360 8.174 0.186 19533 2742 1 7 . 1 1 46 46 GLU C C 46 176.830 176.830 175.775 1.055 19533 2743 1 7 . 1 1 46 46 GLU CB C 46 24.950 24.950 32.798 -7.848 19533 2744 1 7 . 1 1 47 47 SER N N 47 121.430 121.430 117.860 3.570 19533 2745 1 7 . 1 1 47 47 SER HA H 47 4.910 4.910 4.091 0.819 19533 2746 1 7 . 1 1 47 47 SER CA C 47 55.810 55.810 59.346 -3.536 19533 2747 1 7 . 1 1 47 47 SER CB C 47 64.100 64.100 62.876 1.224 19533 2748 1 7 . 1 1 47 47 SER H H 47 7.820 7.820 8.773 -0.953 19533 2749 1 7 . 1 1 48 48 ARG HA H 48 3.650 3.650 3.943 -0.293 19533 2750 1 7 . 1 1 48 48 ARG C C 48 173.650 173.650 174.058 -0.408 19533 2751 1 7 . 1 1 48 48 ARG CA C 48 58.000 58.000 57.037 0.963 19533 2752 1 7 . 1 1 48 48 ARG CB C 48 28.170 28.170 29.021 -0.851 19533 2753 1 7 . 1 1 49 49 VAL N N 49 119.480 119.480 116.881 2.599 19533 2754 1 7 . 1 1 49 49 VAL HA H 49 3.530 3.530 4.219 -0.689 19533 2755 1 7 . 1 1 49 49 VAL C C 49 174.680 174.680 174.636 0.044 19533 2756 1 7 . 1 1 49 49 VAL CA C 49 62.880 62.880 60.905 1.975 19533 2757 1 7 . 1 1 49 49 VAL CB C 49 32.030 32.030 35.379 -3.349 19533 2758 1 7 . 1 1 49 49 VAL H H 49 7.700 7.700 7.719 -0.019 19533 2759 1 7 . 1 1 50 50 HIS N N 50 128.530 128.530 126.245 2.285 19533 2760 1 7 . 1 1 50 50 HIS HA H 50 4.720 4.720 4.898 -0.178 19533 2761 1 7 . 1 1 50 50 HIS C C 50 175.470 175.470 174.080 1.390 19533 2762 1 7 . 1 1 50 50 HIS CA C 50 55.380 55.380 55.438 -0.058 19533 2763 1 7 . 1 1 50 50 HIS CB C 50 32.950 32.950 32.287 0.663 19533 2764 1 7 . 1 1 50 50 HIS H H 50 8.350 8.350 8.680 -0.330 19533 2765 1 7 . 1 1 51 51 LYS N N 51 117.460 117.460 120.382 -2.922 19533 2766 1 7 . 1 1 51 51 LYS HA H 51 5.770 5.770 5.524 0.246 19533 2767 1 7 . 1 1 51 51 LYS C C 51 177.900 177.900 175.232 2.668 19533 2768 1 7 . 1 1 51 51 LYS CA C 51 55.210 55.210 55.114 0.096 19533 2769 1 7 . 1 1 51 51 LYS CB C 51 39.360 39.360 36.347 3.013 19533 2770 1 7 . 1 1 51 51 LYS H H 51 8.940 8.940 8.739 0.201 19533 2771 1 7 . 1 1 52 52 ARG N N 52 120.830 120.830 120.790 0.040 19533 2772 1 7 . 1 1 52 52 ARG HA H 52 5.240 5.240 5.190 0.050 19533 2773 1 7 . 1 1 52 52 ARG C C 52 173.860 173.860 174.125 -0.265 19533 2774 1 7 . 1 1 52 52 ARG CA C 52 53.070 53.070 54.808 -1.738 19533 2775 1 7 . 1 1 52 52 ARG CB C 52 34.830 34.830 34.449 0.381 19533 2776 1 7 . 1 1 52 52 ARG H H 52 8.990 8.990 8.586 0.404 19533 2777 1 7 . 1 1 53 53 LEU N N 53 122.250 122.250 124.271 -2.021 19533 2778 1 7 . 1 1 53 53 LEU HA H 53 5.440 5.440 5.579 -0.139 19533 2779 1 7 . 1 1 53 53 LEU C C 53 176.140 176.140 174.772 1.368 19533 2780 1 7 . 1 1 53 53 LEU CA C 53 53.800 53.800 53.304 0.496 19533 2781 1 7 . 1 1 53 53 LEU CB C 53 46.410 46.410 46.357 0.053 19533 2782 1 7 . 1 1 53 53 LEU H H 53 8.880 8.880 9.179 -0.299 19533 2783 1 7 . 1 1 54 54 ILE N N 54 124.790 124.790 126.579 -1.789 19533 2784 1 7 . 1 1 54 54 ILE HA H 54 4.420 4.420 4.585 -0.165 19533 2785 1 7 . 1 1 54 54 ILE C C 54 173.160 173.160 174.675 -1.515 19533 2786 1 7 . 1 1 54 54 ILE CA C 54 61.420 61.420 60.220 1.200 19533 2787 1 7 . 1 1 54 54 ILE CB C 54 43.480 43.480 40.330 3.150 19533 2788 1 7 . 1 1 54 54 ILE H H 54 9.280 9.280 9.090 0.190 19533 2789 1 7 . 1 1 55 55 ASP N N 55 126.260 126.260 127.922 -1.662 19533 2790 1 7 . 1 1 55 55 ASP HA H 55 5.800 5.800 5.157 0.643 19533 2791 1 7 . 1 1 55 55 ASP C C 55 175.300 175.300 175.425 -0.125 19533 2792 1 7 . 1 1 55 55 ASP CA C 55 53.120 53.120 53.316 -0.196 19533 2793 1 7 . 1 1 55 55 ASP CB C 55 43.530 43.530 42.676 0.854 19533 2794 1 7 . 1 1 55 55 ASP H H 55 8.560 8.560 8.906 -0.346 19533 2795 1 7 . 1 1 56 56 ILE N N 56 122.260 122.260 121.990 0.270 19533 2796 1 7 . 1 1 56 56 ILE HA H 56 4.620 4.620 4.644 -0.024 19533 2797 1 7 . 1 1 56 56 ILE C C 56 174.610 174.610 175.299 -0.689 19533 2798 1 7 . 1 1 56 56 ILE CA C 56 60.160 60.160 60.346 -0.187 19533 2799 1 7 . 1 1 56 56 ILE CB C 56 38.520 38.520 40.746 -2.226 19533 2800 1 7 . 1 1 56 56 ILE H H 56 9.100 9.100 8.847 0.253 19533 2801 1 7 . 1 1 57 57 ILE N N 57 128.860 128.860 127.152 1.708 19533 2802 1 7 . 1 1 57 57 ILE HA H 57 4.200 4.200 4.409 -0.209 19533 2803 1 7 . 1 1 57 57 ILE C C 57 174.350 174.350 175.146 -0.796 19533 2804 1 7 . 1 1 57 57 ILE CA C 57 60.810 60.810 60.041 0.769 19533 2805 1 7 . 1 1 57 57 ILE CB C 57 39.300 39.300 41.063 -1.763 19533 2806 1 7 . 1 1 57 57 ILE H H 57 8.480 8.480 9.321 -0.841 19533 2807 1 7 . 1 1 58 58 ASP N N 58 122.140 122.140 123.302 -1.162 19533 2808 1 7 . 1 1 58 58 ASP HA H 58 4.450 4.450 4.389 0.061 19533 2809 1 7 . 1 1 58 58 ASP CA C 58 55.110 55.110 54.239 0.871 19533 2810 1 7 . 1 1 58 58 ASP CB C 58 39.500 39.500 40.534 -1.034 19533 2811 1 7 . 1 1 58 58 ASP H H 58 8.760 8.760 8.503 0.257 19533 2812 1 7 . 1 1 59 59 PRO HA H 59 4.430 4.430 4.381 0.049 19533 2813 1 7 . 1 1 59 59 PRO C C 59 176.690 176.690 176.254 0.436 19533 2814 1 7 . 1 1 59 59 PRO CA C 59 62.260 62.260 62.987 -0.727 19533 2815 1 7 . 1 1 59 59 PRO CB C 59 31.590 31.590 32.415 -0.825 19533 2816 1 7 . 1 1 60 60 SER N N 60 117.890 117.890 116.382 1.508 19533 2817 1 7 . 1 1 60 60 SER HA H 60 4.920 4.920 4.789 0.131 19533 2818 1 7 . 1 1 60 60 SER CA C 60 56.020 56.020 55.567 0.453 19533 2819 1 7 . 1 1 60 60 SER CB C 60 64.140 64.140 65.502 -1.362 19533 2820 1 7 . 1 1 60 60 SER H H 60 8.050 8.050 7.768 0.282 19533 2821 1 7 . 1 1 61 61 PRO HA H 61 4.240 4.240 4.365 -0.125 19533 2822 1 7 . 1 1 61 61 PRO CA C 61 66.000 66.000 64.953 1.047 19533 2823 1 7 . 1 1 61 61 PRO CB C 61 32.100 32.100 31.997 0.103 19533 2824 1 7 . 1 1 62 62 LYS HA H 62 4.150 4.150 4.156 -0.006 19533 2825 1 7 . 1 1 62 62 LYS C C 62 179.040 179.040 178.875 0.165 19533 2826 1 7 . 1 1 62 62 LYS CA C 62 58.690 58.690 59.544 -0.854 19533 2827 1 7 . 1 1 62 62 LYS CB C 62 32.330 32.330 31.889 0.441 19533 2828 1 7 . 1 1 63 63 THR N N 63 118.760 118.760 115.697 3.063 19533 2829 1 7 . 1 1 63 63 THR HA H 63 3.880 3.880 4.060 -0.180 19533 2830 1 7 . 1 1 63 63 THR C C 63 175.480 175.480 176.069 -0.589 19533 2831 1 7 . 1 1 63 63 THR CA C 63 66.680 66.680 67.319 -0.639 19533 2832 1 7 . 1 1 63 63 THR CB C 63 68.380 68.380 68.651 -0.271 19533 2833 1 7 . 1 1 63 63 THR H H 63 7.940 7.940 7.475 0.465 19533 2834 1 7 . 1 1 64 64 ILE N N 64 119.800 119.800 121.846 -2.046 19533 2835 1 7 . 1 1 64 64 ILE HA H 64 3.460 3.460 3.641 -0.181 19533 2836 1 7 . 1 1 64 64 ILE C C 64 176.830 176.830 177.438 -0.608 19533 2837 1 7 . 1 1 64 64 ILE CA C 64 65.180 65.180 65.080 0.100 19533 2838 1 7 . 1 1 64 64 ILE CB C 64 36.720 36.720 37.510 -0.789 19533 2839 1 7 . 1 1 64 64 ILE H H 64 7.620 7.620 7.263 0.357 19533 2840 1 7 . 1 1 65 65 ASP N N 65 118.090 118.090 119.950 -1.860 19533 2841 1 7 . 1 1 65 65 ASP HA H 65 4.220 4.220 4.303 -0.083 19533 2842 1 7 . 1 1 65 65 ASP C C 65 177.620 177.620 178.554 -0.934 19533 2843 1 7 . 1 1 65 65 ASP CA C 65 57.910 57.910 57.375 0.535 19533 2844 1 7 . 1 1 65 65 ASP CB C 65 42.150 42.150 40.020 2.130 19533 2845 1 7 . 1 1 65 65 ASP H H 65 7.790 7.790 7.827 -0.037 19533 2846 1 7 . 1 1 66 66 ALA N N 66 118.370 118.370 122.071 -3.701 19533 2847 1 7 . 1 1 66 66 ALA HA H 66 3.950 3.950 4.108 -0.158 19533 2848 1 7 . 1 1 66 66 ALA C C 66 181.140 181.140 179.705 1.435 19533 2849 1 7 . 1 1 66 66 ALA CA C 66 54.970 54.970 54.877 0.093 19533 2850 1 7 . 1 1 66 66 ALA CB C 66 18.670 18.670 18.540 0.130 19533 2851 1 7 . 1 1 66 66 ALA H H 66 7.620 7.620 7.566 0.054 19533 2852 1 7 . 1 1 67 67 LEU N N 67 118.030 118.030 119.618 -1.588 19533 2853 1 7 . 1 1 67 67 LEU HA H 67 3.950 3.950 3.987 -0.037 19533 2854 1 7 . 1 1 67 67 LEU C C 67 178.210 178.210 178.380 -0.170 19533 2855 1 7 . 1 1 67 67 LEU CA C 67 57.420 57.420 57.792 -0.372 19533 2856 1 7 . 1 1 67 67 LEU CB C 67 42.100 42.100 41.969 0.131 19533 2857 1 7 . 1 1 67 67 LEU H H 67 8.180 8.180 7.693 0.487 19533 2858 1 7 . 1 1 68 68 MET N N 68 114.280 114.280 115.819 -1.539 19533 2859 1 7 . 1 1 68 68 MET HA H 68 4.260 4.260 4.145 0.115 19533 2860 1 7 . 1 1 68 68 MET C C 68 177.050 177.050 178.524 -1.474 19533 2861 1 7 . 1 1 68 68 MET CA C 68 56.990 56.990 58.131 -1.141 19533 2862 1 7 . 1 1 68 68 MET CB C 68 32.390 32.390 32.621 -0.231 19533 2863 1 7 . 1 1 68 68 MET H H 68 7.770 7.770 7.741 0.029 19533 2864 1 7 . 1 1 69 69 ARG N N 69 115.480 115.480 117.381 -1.901 19533 2865 1 7 . 1 1 69 69 ARG HA H 69 4.410 4.410 4.228 0.182 19533 2866 1 7 . 1 1 69 69 ARG C C 69 176.480 176.480 177.074 -0.594 19533 2867 1 7 . 1 1 69 69 ARG CA C 69 55.560 55.560 57.982 -2.422 19533 2868 1 7 . 1 1 69 69 ARG CB C 69 30.970 30.970 30.991 -0.021 19533 2869 1 7 . 1 1 69 69 ARG H H 69 7.180 7.180 7.474 -0.294 19533 2870 1 7 . 1 1 70 70 ILE N N 70 119.930 119.930 119.840 0.090 19533 2871 1 7 . 1 1 70 70 ILE HA H 70 3.930 3.930 4.132 -0.202 19533 2872 1 7 . 1 1 70 70 ILE CA C 70 62.270 62.270 60.609 1.661 19533 2873 1 7 . 1 1 70 70 ILE CB C 70 39.050 39.050 39.209 -0.159 19533 2874 1 7 . 1 1 70 70 ILE H H 70 7.070 7.070 7.441 -0.371 19533 2875 1 7 . 1 1 71 71 ASN HA H 71 4.860 4.860 4.938 -0.078 19533 2876 1 7 . 1 1 71 71 ASN C C 71 174.190 174.190 175.338 -1.148 19533 2877 1 7 . 1 1 71 71 ASN CA C 71 52.330 52.330 51.715 0.615 19533 2878 1 7 . 1 1 71 71 ASN CB C 71 39.180 39.180 39.763 -0.583 19533 2879 1 7 . 1 1 72 72 LEU N N 72 125.700 125.700 121.723 3.977 19533 2880 1 7 . 1 1 72 72 LEU HA H 72 4.610 4.610 4.486 0.124 19533 2881 1 7 . 1 1 72 72 LEU CA C 72 52.410 52.410 53.658 -1.248 19533 2882 1 7 . 1 1 72 72 LEU CB C 72 41.670 41.670 40.984 0.686 19533 2883 1 7 . 1 1 72 72 LEU H H 72 8.440 8.440 8.281 0.159 19533 2884 1 7 . 1 1 73 73 PRO HA H 73 4.420 4.420 4.442 -0.022 19533 2885 1 7 . 1 1 73 73 PRO C C 73 176.110 176.110 176.269 -0.159 19533 2886 1 7 . 1 1 73 73 PRO CA C 73 62.240 62.240 62.369 -0.129 19533 2887 1 7 . 1 1 73 73 PRO CB C 73 32.450 32.450 32.434 0.016 19533 2888 1 7 . 1 1 74 74 ALA N N 74 123.290 123.290 123.405 -0.115 19533 2889 1 7 . 1 1 74 74 ALA HA H 74 4.170 4.170 4.096 0.074 19533 2890 1 7 . 1 1 74 74 ALA C C 74 178.430 178.430 178.754 -0.324 19533 2891 1 7 . 1 1 74 74 ALA CA C 74 53.550 53.550 53.103 0.447 19533 2892 1 7 . 1 1 74 74 ALA CB C 74 18.300 18.300 18.761 -0.461 19533 2893 1 7 . 1 1 74 74 ALA H H 74 8.160 8.160 8.211 -0.051 19533 2894 1 7 . 1 1 75 75 GLY N N 75 106.750 106.750 108.687 -1.937 19533 2895 1 7 . 1 1 75 75 GLY C C 75 174.140 174.140 173.186 0.954 19533 2896 1 7 . 1 1 75 75 GLY CA C 75 45.020 45.020 45.339 -0.319 19533 2897 1 7 . 1 1 75 75 GLY H H 75 8.420 8.420 8.539 -0.119 19533 2898 1 7 . 1 1 76 76 VAL N N 76 120.550 120.550 118.399 2.151 19533 2899 1 7 . 1 1 76 76 VAL HA H 76 4.660 4.660 4.803 -0.143 19533 2900 1 7 . 1 1 76 76 VAL C C 76 174.120 174.120 174.525 -0.405 19533 2901 1 7 . 1 1 76 76 VAL CA C 76 61.070 61.070 60.750 0.320 19533 2902 1 7 . 1 1 76 76 VAL CB C 76 32.960 32.960 34.969 -2.009 19533 2903 1 7 . 1 1 76 76 VAL H H 76 7.460 7.460 7.334 0.126 19533 2904 1 7 . 1 1 77 77 ASP N N 77 128.070 128.070 125.035 3.035 19533 2905 1 7 . 1 1 77 77 ASP HA H 77 4.970 4.970 4.913 0.057 19533 2906 1 7 . 1 1 77 77 ASP C C 77 175.020 175.020 174.606 0.414 19533 2907 1 7 . 1 1 77 77 ASP CA C 77 53.550 53.550 52.691 0.859 19533 2908 1 7 . 1 1 77 77 ASP CB C 77 43.840 43.840 44.402 -0.562 19533 2909 1 7 . 1 1 77 77 ASP H H 77 8.950 8.950 8.442 0.508 19533 2910 1 7 . 1 1 78 78 VAL N N 78 122.000 122.000 121.480 0.520 19533 2911 1 7 . 1 1 78 78 VAL HA H 78 4.850 4.850 4.776 0.074 19533 2912 1 7 . 1 1 78 78 VAL C C 78 174.280 174.280 174.639 -0.359 19533 2913 1 7 . 1 1 78 78 VAL CA C 78 60.720 60.720 60.639 0.081 19533 2914 1 7 . 1 1 78 78 VAL CB C 78 34.600 34.600 34.885 -0.285 19533 2915 1 7 . 1 1 78 78 VAL H H 78 8.460 8.460 8.414 0.046 19533 2916 1 7 . 1 1 79 79 GLU N N 79 127.380 127.380 127.076 0.304 19533 2917 1 7 . 1 1 79 79 GLU CA C 79 54.800 54.800 55.159 -0.359 19533 2918 1 7 . 1 1 79 79 GLU CB C 79 33.610 33.610 32.105 1.505 19533 2919 1 7 . 1 1 79 79 GLU H H 79 8.820 8.820 8.412 0.408 19533 2920 1 8 . 1 1 3 3 GLY C C 3 174.400 174.400 175.303 -0.903 19533 2921 1 8 . 1 1 3 3 GLY CA C 3 45.570 45.570 45.139 0.431 19533 2922 1 8 . 1 1 4 4 GLY N N 4 109.110 109.110 107.586 1.524 19533 2923 1 8 . 1 1 4 4 GLY C C 4 174.070 174.070 174.558 -0.488 19533 2924 1 8 . 1 1 4 4 GLY CA C 4 45.410 45.410 45.520 -0.110 19533 2925 1 8 . 1 1 4 4 GLY H H 4 8.380 8.380 8.600 -0.220 19533 2926 1 8 . 1 1 5 5 GLN N N 5 119.810 119.810 119.270 0.540 19533 2927 1 8 . 1 1 5 5 GLN HA H 5 4.470 4.470 4.569 -0.099 19533 2928 1 8 . 1 1 5 5 GLN C C 5 174.980 174.980 174.570 0.410 19533 2929 1 8 . 1 1 5 5 GLN CA C 5 56.300 56.300 54.814 1.486 19533 2930 1 8 . 1 1 5 5 GLN CB C 5 30.080 30.080 30.780 -0.700 19533 2931 1 8 . 1 1 5 5 GLN H H 5 8.280 8.280 7.988 0.292 19533 2932 1 8 . 1 1 6 6 LYS N N 6 120.240 120.240 121.194 -0.954 19533 2933 1 8 . 1 1 6 6 LYS HA H 6 5.080 5.080 5.024 0.056 19533 2934 1 8 . 1 1 6 6 LYS C C 6 175.110 175.110 175.457 -0.347 19533 2935 1 8 . 1 1 6 6 LYS CA C 6 55.330 55.330 54.921 0.409 19533 2936 1 8 . 1 1 6 6 LYS CB C 6 35.450 35.450 35.521 -0.071 19533 2937 1 8 . 1 1 6 6 LYS H H 6 8.080 8.080 8.367 -0.287 19533 2938 1 8 . 1 1 7 7 ILE N N 7 120.690 120.690 123.006 -2.316 19533 2939 1 8 . 1 1 7 7 ILE HA H 7 4.540 4.540 4.360 0.180 19533 2940 1 8 . 1 1 7 7 ILE C C 7 173.880 173.880 174.751 -0.871 19533 2941 1 8 . 1 1 7 7 ILE CA C 7 60.520 60.520 60.194 0.326 19533 2942 1 8 . 1 1 7 7 ILE CB C 7 40.830 40.830 40.629 0.201 19533 2943 1 8 . 1 1 7 7 ILE H H 7 8.770 8.770 8.597 0.173 19533 2944 1 8 . 1 1 8 8 ARG N N 8 127.060 127.060 124.743 2.317 19533 2945 1 8 . 1 1 8 8 ARG HA H 8 5.330 5.330 5.331 -0.001 19533 2946 1 8 . 1 1 8 8 ARG C C 8 174.690 174.690 175.341 -0.651 19533 2947 1 8 . 1 1 8 8 ARG CA C 8 55.070 55.070 54.566 0.504 19533 2948 1 8 . 1 1 8 8 ARG CB C 8 32.370 32.370 33.545 -1.175 19533 2949 1 8 . 1 1 8 8 ARG H H 8 8.480 8.480 8.482 -0.002 19533 2950 1 8 . 1 1 9 9 ILE N N 9 127.670 127.670 124.031 3.639 19533 2951 1 8 . 1 1 9 9 ILE HA H 9 4.800 4.800 4.368 0.432 19533 2952 1 8 . 1 1 9 9 ILE C C 9 174.380 174.380 174.559 -0.179 19533 2953 1 8 . 1 1 9 9 ILE CA C 9 60.240 60.240 60.410 -0.169 19533 2954 1 8 . 1 1 9 9 ILE CB C 9 39.860 39.860 40.966 -1.106 19533 2955 1 8 . 1 1 9 9 ILE H H 9 9.540 9.540 8.708 0.832 19533 2956 1 8 . 1 1 10 10 LYS N N 10 127.240 127.240 126.599 0.641 19533 2957 1 8 . 1 1 10 10 LYS HA H 10 5.220 5.220 5.077 0.143 19533 2958 1 8 . 1 1 10 10 LYS C C 10 175.130 175.130 175.580 -0.450 19533 2959 1 8 . 1 1 10 10 LYS CA C 10 54.760 54.760 55.373 -0.613 19533 2960 1 8 . 1 1 10 10 LYS CB C 10 34.940 34.940 34.366 0.574 19533 2961 1 8 . 1 1 10 10 LYS H H 10 9.050 9.050 8.631 0.419 19533 2962 1 8 . 1 1 11 11 LEU N N 11 124.480 124.480 125.409 -0.929 19533 2963 1 8 . 1 1 11 11 LEU HA H 11 5.450 5.450 4.867 0.583 19533 2964 1 8 . 1 1 11 11 LEU C C 11 176.000 176.000 176.024 -0.024 19533 2965 1 8 . 1 1 11 11 LEU CA C 11 53.320 53.320 54.038 -0.718 19533 2966 1 8 . 1 1 11 11 LEU CB C 11 46.960 46.960 43.825 3.135 19533 2967 1 8 . 1 1 11 11 LEU H H 11 8.790 8.790 8.976 -0.186 19533 2968 1 8 . 1 1 12 12 LYS N N 12 119.690 119.690 121.990 -2.300 19533 2969 1 8 . 1 1 12 12 LYS HA H 12 5.570 5.570 5.348 0.222 19533 2970 1 8 . 1 1 12 12 LYS C C 12 174.610 174.610 174.951 -0.341 19533 2971 1 8 . 1 1 12 12 LYS CA C 12 54.600 54.600 54.800 -0.200 19533 2972 1 8 . 1 1 12 12 LYS CB C 12 36.480 36.480 36.300 0.180 19533 2973 1 8 . 1 1 12 12 LYS H H 12 8.550 8.550 8.699 -0.149 19533 2974 1 8 . 1 1 13 13 ALA N N 13 120.780 120.780 125.110 -4.330 19533 2975 1 8 . 1 1 13 13 ALA HA H 13 4.720 4.720 4.686 0.034 19533 2976 1 8 . 1 1 13 13 ALA C C 13 176.120 176.120 176.289 -0.169 19533 2977 1 8 . 1 1 13 13 ALA CA C 13 52.230 52.230 51.906 0.324 19533 2978 1 8 . 1 1 13 13 ALA CB C 13 24.780 24.780 21.744 3.037 19533 2979 1 8 . 1 1 13 13 ALA H H 13 8.740 8.740 8.190 0.550 19533 2980 1 8 . 1 1 14 14 TYR N N 14 117.810 117.810 120.450 -2.640 19533 2981 1 8 . 1 1 14 14 TYR HA H 14 4.920 4.920 4.572 0.348 19533 2982 1 8 . 1 1 14 14 TYR C C 14 175.960 175.960 176.190 -0.230 19533 2983 1 8 . 1 1 14 14 TYR CA C 14 59.790 59.790 61.110 -1.320 19533 2984 1 8 . 1 1 14 14 TYR CB C 14 38.840 38.840 38.769 0.071 19533 2985 1 8 . 1 1 14 14 TYR H H 14 8.670 8.670 8.906 -0.236 19533 2986 1 8 . 1 1 15 15 ASP N N 15 118.650 118.650 116.378 2.272 19533 2987 1 8 . 1 1 15 15 ASP HA H 15 4.890 4.890 5.014 -0.124 19533 2988 1 8 . 1 1 15 15 ASP C C 15 175.980 175.980 176.876 -0.896 19533 2989 1 8 . 1 1 15 15 ASP CA C 15 52.830 52.830 53.648 -0.818 19533 2990 1 8 . 1 1 15 15 ASP CB C 15 42.420 42.420 41.772 0.648 19533 2991 1 8 . 1 1 15 15 ASP H H 15 7.390 7.390 8.051 -0.661 19533 2992 1 8 . 1 1 16 16 HIS N N 16 124.080 124.080 121.954 2.126 19533 2993 1 8 . 1 1 16 16 HIS HA H 16 3.830 3.830 4.246 -0.416 19533 2994 1 8 . 1 1 16 16 HIS C C 16 176.000 176.000 176.348 -0.348 19533 2995 1 8 . 1 1 16 16 HIS CA C 16 59.190 59.190 58.947 0.243 19533 2996 1 8 . 1 1 16 16 HIS CB C 16 29.030 29.030 29.387 -0.357 19533 2997 1 8 . 1 1 16 16 HIS H H 16 8.190 8.190 8.913 -0.723 19533 2998 1 8 . 1 1 17 17 GLU N N 17 121.830 121.830 120.718 1.112 19533 2999 1 8 . 1 1 17 17 GLU HA H 17 4.040 4.040 3.850 0.190 19533 3000 1 8 . 1 1 17 17 GLU C C 17 179.540 179.540 178.711 0.829 19533 3001 1 8 . 1 1 17 17 GLU CA C 17 59.520 59.520 58.866 0.654 19533 3002 1 8 . 1 1 17 17 GLU CB C 17 29.020 29.020 28.585 0.435 19533 3003 1 8 . 1 1 17 17 GLU H H 17 7.740 7.740 7.794 -0.054 19533 3004 1 8 . 1 1 18 18 LEU N N 18 121.120 121.120 118.928 2.192 19533 3005 1 8 . 1 1 18 18 LEU HA H 18 4.030 4.030 4.044 -0.014 19533 3006 1 8 . 1 1 18 18 LEU C C 18 180.600 180.600 179.043 1.557 19533 3007 1 8 . 1 1 18 18 LEU CA C 18 57.050 57.050 57.395 -0.345 19533 3008 1 8 . 1 1 18 18 LEU CB C 18 42.390 42.390 41.653 0.737 19533 3009 1 8 . 1 1 18 18 LEU H H 18 7.510 7.510 7.425 0.085 19533 3010 1 8 . 1 1 19 19 LEU N N 19 121.190 121.190 119.189 2.001 19533 3011 1 8 . 1 1 19 19 LEU HA H 19 3.750 3.750 3.912 -0.162 19533 3012 1 8 . 1 1 19 19 LEU C C 19 177.580 177.580 178.756 -1.176 19533 3013 1 8 . 1 1 19 19 LEU CA C 19 57.950 57.950 58.026 -0.076 19533 3014 1 8 . 1 1 19 19 LEU CB C 19 42.100 42.100 41.169 0.930 19533 3015 1 8 . 1 1 19 19 LEU H H 19 7.780 7.780 7.305 0.475 19533 3016 1 8 . 1 1 20 20 ASP N N 20 119.750 119.750 119.841 -0.091 19533 3017 1 8 . 1 1 20 20 ASP HA H 20 4.490 4.490 4.330 0.160 19533 3018 1 8 . 1 1 20 20 ASP C C 20 179.450 179.450 178.566 0.884 19533 3019 1 8 . 1 1 20 20 ASP CA C 20 58.070 58.070 57.754 0.316 19533 3020 1 8 . 1 1 20 20 ASP CB C 20 40.130 40.130 40.586 -0.455 19533 3021 1 8 . 1 1 20 20 ASP H H 20 8.150 8.150 8.090 0.060 19533 3022 1 8 . 1 1 21 21 GLU N N 21 120.710 120.710 119.439 1.271 19533 3023 1 8 . 1 1 21 21 GLU HA H 21 4.080 4.080 4.018 0.062 19533 3024 1 8 . 1 1 21 21 GLU C C 21 179.370 179.370 179.024 0.346 19533 3025 1 8 . 1 1 21 21 GLU CA C 21 59.210 59.210 59.370 -0.160 19533 3026 1 8 . 1 1 21 21 GLU CB C 21 29.650 29.650 29.585 0.065 19533 3027 1 8 . 1 1 21 21 GLU H H 21 8.050 8.050 7.822 0.228 19533 3028 1 8 . 1 1 22 22 SER N N 22 116.150 116.150 115.430 0.720 19533 3029 1 8 . 1 1 22 22 SER HA H 22 4.090 4.090 4.188 -0.098 19533 3030 1 8 . 1 1 22 22 SER C C 22 175.000 175.000 176.374 -1.374 19533 3031 1 8 . 1 1 22 22 SER CA C 22 62.900 62.900 61.459 1.441 19533 3032 1 8 . 1 1 22 22 SER CB C 22 62.900 62.900 62.988 -0.088 19533 3033 1 8 . 1 1 22 22 SER H H 22 7.950 7.950 7.930 0.020 19533 3034 1 8 . 1 1 23 23 ALA N N 23 123.240 123.240 123.865 -0.625 19533 3035 1 8 . 1 1 23 23 ALA HA H 23 3.760 3.760 4.111 -0.350 19533 3036 1 8 . 1 1 23 23 ALA C C 23 178.540 178.540 179.165 -0.625 19533 3037 1 8 . 1 1 23 23 ALA CA C 23 55.190 55.190 55.166 0.024 19533 3038 1 8 . 1 1 23 23 ALA CB C 23 17.870 17.870 18.265 -0.395 19533 3039 1 8 . 1 1 23 23 ALA H H 23 8.560 8.560 8.449 0.111 19533 3040 1 8 . 1 1 24 24 LYS N N 24 116.780 116.780 119.156 -2.376 19533 3041 1 8 . 1 1 24 24 LYS HA H 24 3.840 3.840 3.936 -0.096 19533 3042 1 8 . 1 1 24 24 LYS C C 24 178.720 178.720 178.734 -0.014 19533 3043 1 8 . 1 1 24 24 LYS CA C 24 59.940 59.940 59.917 0.023 19533 3044 1 8 . 1 1 24 24 LYS CB C 24 32.250 32.250 32.337 -0.087 19533 3045 1 8 . 1 1 24 24 LYS H H 24 7.750 7.750 8.255 -0.505 19533 3046 1 8 . 1 1 25 25 LYS N N 25 118.950 118.950 118.805 0.145 19533 3047 1 8 . 1 1 25 25 LYS HA H 25 4.040 4.040 4.050 -0.010 19533 3048 1 8 . 1 1 25 25 LYS C C 25 178.720 178.720 179.214 -0.494 19533 3049 1 8 . 1 1 25 25 LYS CA C 25 59.000 59.000 59.596 -0.597 19533 3050 1 8 . 1 1 25 25 LYS CB C 25 32.120 32.120 32.382 -0.262 19533 3051 1 8 . 1 1 25 25 LYS H H 25 7.580 7.580 7.827 -0.247 19533 3052 1 8 . 1 1 26 26 ILE N N 26 118.310 118.310 120.548 -2.238 19533 3053 1 8 . 1 1 26 26 ILE HA H 26 3.470 3.470 3.620 -0.150 19533 3054 1 8 . 1 1 26 26 ILE CA C 26 65.060 65.060 65.556 -0.496 19533 3055 1 8 . 1 1 26 26 ILE CB C 26 36.720 36.720 37.815 -1.095 19533 3056 1 8 . 1 1 26 26 ILE H H 26 7.610 7.610 7.772 -0.162 19533 3057 1 8 . 1 1 27 27 VAL N N 27 118.900 118.900 120.914 -2.014 19533 3058 1 8 . 1 1 27 27 VAL HA H 27 3.390 3.390 3.447 -0.057 19533 3059 1 8 . 1 1 27 27 VAL C C 27 177.550 177.550 177.755 -0.205 19533 3060 1 8 . 1 1 27 27 VAL CA C 27 67.630 67.630 68.212 -0.582 19533 3061 1 8 . 1 1 27 27 VAL CB C 27 31.420 31.420 31.622 -0.202 19533 3062 1 8 . 1 1 27 27 VAL H H 27 7.950 7.950 8.532 -0.582 19533 3063 1 8 . 1 1 28 28 GLU N N 28 118.800 118.800 120.459 -1.659 19533 3064 1 8 . 1 1 28 28 GLU HA H 28 3.980 3.980 3.988 -0.008 19533 3065 1 8 . 1 1 28 28 GLU C C 28 180.130 180.130 179.229 0.901 19533 3066 1 8 . 1 1 28 28 GLU CA C 28 59.740 59.740 60.081 -0.341 19533 3067 1 8 . 1 1 28 28 GLU CB C 28 29.380 29.380 29.746 -0.366 19533 3068 1 8 . 1 1 28 28 GLU H H 28 8.180 8.180 8.321 -0.141 19533 3069 1 8 . 1 1 29 29 VAL N N 29 120.730 120.730 119.693 1.037 19533 3070 1 8 . 1 1 29 29 VAL HA H 29 3.710 3.710 3.702 0.008 19533 3071 1 8 . 1 1 29 29 VAL C C 29 179.240 179.240 178.133 1.107 19533 3072 1 8 . 1 1 29 29 VAL CA C 29 66.290 66.290 66.097 0.193 19533 3073 1 8 . 1 1 29 29 VAL CB C 29 31.420 31.420 31.858 -0.438 19533 3074 1 8 . 1 1 29 29 VAL H H 29 8.120 8.120 8.328 -0.208 19533 3075 1 8 . 1 1 30 30 ALA N N 30 123.770 123.770 122.336 1.434 19533 3076 1 8 . 1 1 30 30 ALA HA H 30 3.880 3.880 4.059 -0.179 19533 3077 1 8 . 1 1 30 30 ALA C C 30 179.630 179.630 179.692 -0.062 19533 3078 1 8 . 1 1 30 30 ALA CA C 30 55.560 55.560 54.871 0.689 19533 3079 1 8 . 1 1 30 30 ALA CB C 30 18.000 18.000 18.345 -0.345 19533 3080 1 8 . 1 1 30 30 ALA H H 30 8.310 8.310 8.656 -0.346 19533 3081 1 8 . 1 1 31 31 LYS N N 31 118.260 118.260 118.732 -0.472 19533 3082 1 8 . 1 1 31 31 LYS HA H 31 4.200 4.200 3.986 0.214 19533 3083 1 8 . 1 1 31 31 LYS C C 31 180.710 180.710 177.909 2.801 19533 3084 1 8 . 1 1 31 31 LYS CA C 31 59.910 59.910 58.935 0.974 19533 3085 1 8 . 1 1 31 31 LYS CB C 31 32.270 32.270 32.383 -0.113 19533 3086 1 8 . 1 1 31 31 LYS H H 31 8.710 8.710 8.487 0.223 19533 3087 1 8 . 1 1 32 32 SER N N 32 115.760 115.760 111.898 3.862 19533 3088 1 8 . 1 1 32 32 SER HA H 32 4.380 4.380 4.283 0.097 19533 3089 1 8 . 1 1 32 32 SER C C 32 175.120 175.120 175.062 0.058 19533 3090 1 8 . 1 1 32 32 SER CA C 32 61.300 61.300 59.875 1.425 19533 3091 1 8 . 1 1 32 32 SER CB C 32 63.220 63.220 63.510 -0.290 19533 3092 1 8 . 1 1 32 32 SER H H 32 8.310 8.310 7.733 0.577 19533 3093 1 8 . 1 1 33 33 THR N N 33 108.990 108.990 116.765 -7.775 19533 3094 1 8 . 1 1 33 33 THR HA H 33 4.490 4.490 4.246 0.244 19533 3095 1 8 . 1 1 33 33 THR C C 33 173.390 173.390 174.719 -1.329 19533 3096 1 8 . 1 1 33 33 THR CA C 33 60.910 60.910 63.032 -2.122 19533 3097 1 8 . 1 1 33 33 THR CB C 33 68.860 68.860 69.915 -1.055 19533 3098 1 8 . 1 1 33 33 THR H H 33 7.330 7.330 7.564 -0.234 19533 3099 1 8 . 1 1 34 34 ASN N N 34 115.250 115.250 120.774 -5.524 19533 3100 1 8 . 1 1 34 34 ASN HA H 34 4.450 4.450 4.510 -0.060 19533 3101 1 8 . 1 1 34 34 ASN C C 34 174.490 174.490 175.850 -1.360 19533 3102 1 8 . 1 1 34 34 ASN CA C 34 54.800 54.800 55.110 -0.310 19533 3103 1 8 . 1 1 34 34 ASN CB C 34 37.160 37.160 38.317 -1.157 19533 3104 1 8 . 1 1 34 34 ASN H H 34 7.910 7.910 8.847 -0.937 19533 3105 1 8 . 1 1 35 35 SER N N 35 113.160 113.160 114.775 -1.615 19533 3106 1 8 . 1 1 35 35 SER HA H 35 4.830 4.830 4.575 0.255 19533 3107 1 8 . 1 1 35 35 SER C C 35 173.250 173.250 173.362 -0.112 19533 3108 1 8 . 1 1 35 35 SER CA C 35 58.550 58.550 58.781 -0.231 19533 3109 1 8 . 1 1 35 35 SER CB C 35 64.910 64.910 64.757 0.153 19533 3110 1 8 . 1 1 35 35 SER H H 35 7.800 7.800 7.791 0.009 19533 3111 1 8 . 1 1 36 36 LYS N N 36 123.770 123.770 122.018 1.752 19533 3112 1 8 . 1 1 36 36 LYS HA H 36 4.420 4.420 4.687 -0.267 19533 3113 1 8 . 1 1 36 36 LYS C C 36 175.270 175.270 174.586 0.684 19533 3114 1 8 . 1 1 36 36 LYS CA C 36 56.290 56.290 55.247 1.043 19533 3115 1 8 . 1 1 36 36 LYS CB C 36 33.390 33.390 35.814 -2.424 19533 3116 1 8 . 1 1 36 36 LYS H H 36 8.390 8.390 8.298 0.092 19533 3117 1 8 . 1 1 37 37 VAL N N 37 119.710 119.710 124.515 -4.805 19533 3118 1 8 . 1 1 37 37 VAL HA H 37 5.010 5.010 4.812 0.198 19533 3119 1 8 . 1 1 37 37 VAL C C 37 175.120 175.120 175.056 0.064 19533 3120 1 8 . 1 1 37 37 VAL CA C 37 59.800 59.800 61.095 -1.295 19533 3121 1 8 . 1 1 37 37 VAL CB C 37 35.260 35.260 34.520 0.740 19533 3122 1 8 . 1 1 37 37 VAL H H 37 8.130 8.130 8.461 -0.331 19533 3123 1 8 . 1 1 38 38 SER N N 38 121.650 121.650 120.600 1.050 19533 3124 1 8 . 1 1 38 38 SER HA H 38 4.810 4.810 4.822 -0.012 19533 3125 1 8 . 1 1 38 38 SER C C 38 173.290 173.290 173.188 0.102 19533 3126 1 8 . 1 1 38 38 SER CA C 38 56.930 56.930 56.722 0.207 19533 3127 1 8 . 1 1 38 38 SER CB C 38 64.420 64.420 64.847 -0.427 19533 3128 1 8 . 1 1 38 38 SER H H 38 9.060 9.060 9.079 -0.019 19533 3129 1 8 . 1 1 39 39 GLY N N 39 112.740 112.740 111.726 1.014 19533 3130 1 8 . 1 1 39 39 GLY CA C 39 43.180 43.180 44.589 -1.409 19533 3131 1 8 . 1 1 39 39 GLY H H 39 8.430 8.430 8.132 0.298 19533 3132 1 8 . 1 1 40 40 PRO HA H 40 4.760 4.760 4.441 0.319 19533 3133 1 8 . 1 1 40 40 PRO C C 40 175.760 175.760 175.796 -0.036 19533 3134 1 8 . 1 1 40 40 PRO CA C 40 61.350 61.350 63.152 -1.802 19533 3135 1 8 . 1 1 40 40 PRO CB C 40 34.780 34.780 32.698 2.082 19533 3136 1 8 . 1 1 41 41 ILE N N 41 125.440 125.440 124.236 1.204 19533 3137 1 8 . 1 1 41 41 ILE HA H 41 4.750 4.750 4.455 0.295 19533 3138 1 8 . 1 1 41 41 ILE CA C 41 57.700 57.700 58.855 -1.155 19533 3139 1 8 . 1 1 41 41 ILE CB C 41 40.570 40.570 38.380 2.189 19533 3140 1 8 . 1 1 41 41 ILE H H 41 9.560 9.560 8.908 0.652 19533 3141 1 8 . 1 1 42 42 PRO HA H 42 4.820 4.820 4.520 0.300 19533 3142 1 8 . 1 1 42 42 PRO C C 42 175.600 175.600 175.812 -0.212 19533 3143 1 8 . 1 1 42 42 PRO CA C 42 62.720 62.720 62.994 -0.274 19533 3144 1 8 . 1 1 42 42 PRO CB C 42 31.740 31.740 32.210 -0.470 19533 3145 1 8 . 1 1 43 43 LEU N N 43 123.010 123.010 125.130 -2.120 19533 3146 1 8 . 1 1 43 43 LEU HA H 43 4.830 4.830 4.859 -0.029 19533 3147 1 8 . 1 1 43 43 LEU CA C 43 51.960 51.960 51.724 0.236 19533 3148 1 8 . 1 1 43 43 LEU CB C 43 42.460 42.460 43.156 -0.696 19533 3149 1 8 . 1 1 43 43 LEU H H 43 7.230 7.230 8.043 -0.813 19533 3150 1 8 . 1 1 44 44 PRO HA H 44 4.370 4.370 4.526 -0.156 19533 3151 1 8 . 1 1 44 44 PRO C C 44 176.620 176.620 176.026 0.594 19533 3152 1 8 . 1 1 44 44 PRO CA C 44 63.660 63.660 63.025 0.635 19533 3153 1 8 . 1 1 44 44 PRO CB C 44 31.780 31.780 32.158 -0.378 19533 3154 1 8 . 1 1 45 45 THR N N 45 121.280 121.280 115.477 5.803 19533 3155 1 8 . 1 1 45 45 THR HA H 45 4.380 4.380 4.761 -0.381 19533 3156 1 8 . 1 1 45 45 THR CA C 45 63.240 63.240 60.108 3.132 19533 3157 1 8 . 1 1 45 45 THR CB C 45 69.520 69.520 71.170 -1.650 19533 3158 1 8 . 1 1 45 45 THR H H 45 8.360 8.360 8.044 0.316 19533 3159 1 8 . 1 1 46 46 GLU C C 46 176.830 176.830 176.202 0.628 19533 3160 1 8 . 1 1 46 46 GLU CB C 46 24.950 24.950 31.940 -6.990 19533 3161 1 8 . 1 1 47 47 SER N N 47 121.430 121.430 121.542 -0.112 19533 3162 1 8 . 1 1 47 47 SER HA H 47 4.910 4.910 4.045 0.865 19533 3163 1 8 . 1 1 47 47 SER CA C 47 55.810 55.810 60.766 -4.956 19533 3164 1 8 . 1 1 47 47 SER CB C 47 64.100 64.100 62.915 1.185 19533 3165 1 8 . 1 1 47 47 SER H H 47 7.820 7.820 9.051 -1.231 19533 3166 1 8 . 1 1 48 48 ARG HA H 48 3.650 3.650 4.476 -0.826 19533 3167 1 8 . 1 1 48 48 ARG C C 48 173.650 173.650 174.255 -0.605 19533 3168 1 8 . 1 1 48 48 ARG CA C 48 58.000 58.000 55.308 2.692 19533 3169 1 8 . 1 1 48 48 ARG CB C 48 28.170 28.170 32.526 -4.356 19533 3170 1 8 . 1 1 49 49 VAL N N 49 119.480 119.480 120.749 -1.269 19533 3171 1 8 . 1 1 49 49 VAL HA H 49 3.530 3.530 4.298 -0.768 19533 3172 1 8 . 1 1 49 49 VAL C C 49 174.680 174.680 174.578 0.102 19533 3173 1 8 . 1 1 49 49 VAL CA C 49 62.880 62.880 61.325 1.555 19533 3174 1 8 . 1 1 49 49 VAL CB C 49 32.030 32.030 33.014 -0.984 19533 3175 1 8 . 1 1 49 49 VAL H H 49 7.700 7.700 8.342 -0.642 19533 3176 1 8 . 1 1 50 50 HIS N N 50 128.530 128.530 126.590 1.940 19533 3177 1 8 . 1 1 50 50 HIS HA H 50 4.720 4.720 4.997 -0.277 19533 3178 1 8 . 1 1 50 50 HIS C C 50 175.470 175.470 174.064 1.406 19533 3179 1 8 . 1 1 50 50 HIS CA C 50 55.380 55.380 54.617 0.763 19533 3180 1 8 . 1 1 50 50 HIS CB C 50 32.950 32.950 33.294 -0.344 19533 3181 1 8 . 1 1 50 50 HIS H H 50 8.350 8.350 8.747 -0.397 19533 3182 1 8 . 1 1 51 51 LYS N N 51 117.460 117.460 120.061 -2.601 19533 3183 1 8 . 1 1 51 51 LYS HA H 51 5.770 5.770 5.567 0.203 19533 3184 1 8 . 1 1 51 51 LYS C C 51 177.900 177.900 175.384 2.516 19533 3185 1 8 . 1 1 51 51 LYS CA C 51 55.210 55.210 54.864 0.346 19533 3186 1 8 . 1 1 51 51 LYS CB C 51 39.360 39.360 36.206 3.154 19533 3187 1 8 . 1 1 51 51 LYS H H 51 8.940 8.940 8.646 0.294 19533 3188 1 8 . 1 1 52 52 ARG N N 52 120.830 120.830 120.310 0.520 19533 3189 1 8 . 1 1 52 52 ARG HA H 52 5.240 5.240 5.139 0.101 19533 3190 1 8 . 1 1 52 52 ARG C C 52 173.860 173.860 174.020 -0.160 19533 3191 1 8 . 1 1 52 52 ARG CA C 52 53.070 53.070 54.856 -1.786 19533 3192 1 8 . 1 1 52 52 ARG CB C 52 34.830 34.830 34.602 0.228 19533 3193 1 8 . 1 1 52 52 ARG H H 52 8.990 8.990 8.751 0.239 19533 3194 1 8 . 1 1 53 53 LEU N N 53 122.250 122.250 124.118 -1.868 19533 3195 1 8 . 1 1 53 53 LEU HA H 53 5.440 5.440 5.443 -0.003 19533 3196 1 8 . 1 1 53 53 LEU C C 53 176.140 176.140 174.653 1.487 19533 3197 1 8 . 1 1 53 53 LEU CA C 53 53.800 53.800 52.847 0.953 19533 3198 1 8 . 1 1 53 53 LEU CB C 53 46.410 46.410 46.104 0.306 19533 3199 1 8 . 1 1 53 53 LEU H H 53 8.880 8.880 9.073 -0.193 19533 3200 1 8 . 1 1 54 54 ILE N N 54 124.790 124.790 126.352 -1.562 19533 3201 1 8 . 1 1 54 54 ILE HA H 54 4.420 4.420 4.528 -0.108 19533 3202 1 8 . 1 1 54 54 ILE C C 54 173.160 173.160 174.616 -1.456 19533 3203 1 8 . 1 1 54 54 ILE CA C 54 61.420 61.420 60.305 1.115 19533 3204 1 8 . 1 1 54 54 ILE CB C 54 43.480 43.480 40.532 2.948 19533 3205 1 8 . 1 1 54 54 ILE H H 54 9.280 9.280 8.803 0.477 19533 3206 1 8 . 1 1 55 55 ASP N N 55 126.260 126.260 128.028 -1.768 19533 3207 1 8 . 1 1 55 55 ASP HA H 55 5.800 5.800 5.157 0.643 19533 3208 1 8 . 1 1 55 55 ASP C C 55 175.300 175.300 175.391 -0.091 19533 3209 1 8 . 1 1 55 55 ASP CA C 55 53.120 53.120 53.268 -0.148 19533 3210 1 8 . 1 1 55 55 ASP CB C 55 43.530 43.530 42.772 0.758 19533 3211 1 8 . 1 1 55 55 ASP H H 55 8.560 8.560 8.516 0.044 19533 3212 1 8 . 1 1 56 56 ILE N N 56 122.260 122.260 121.474 0.786 19533 3213 1 8 . 1 1 56 56 ILE HA H 56 4.620 4.620 4.714 -0.094 19533 3214 1 8 . 1 1 56 56 ILE C C 56 174.610 174.610 175.194 -0.584 19533 3215 1 8 . 1 1 56 56 ILE CA C 56 60.160 60.160 60.355 -0.195 19533 3216 1 8 . 1 1 56 56 ILE CB C 56 38.520 38.520 40.855 -2.335 19533 3217 1 8 . 1 1 56 56 ILE H H 56 9.100 9.100 8.717 0.383 19533 3218 1 8 . 1 1 57 57 ILE N N 57 128.860 128.860 127.151 1.709 19533 3219 1 8 . 1 1 57 57 ILE HA H 57 4.200 4.200 4.399 -0.199 19533 3220 1 8 . 1 1 57 57 ILE C C 57 174.350 174.350 175.104 -0.754 19533 3221 1 8 . 1 1 57 57 ILE CA C 57 60.810 60.810 60.185 0.625 19533 3222 1 8 . 1 1 57 57 ILE CB C 57 39.300 39.300 40.889 -1.589 19533 3223 1 8 . 1 1 57 57 ILE H H 57 8.480 8.480 9.315 -0.835 19533 3224 1 8 . 1 1 58 58 ASP N N 58 122.140 122.140 122.548 -0.408 19533 3225 1 8 . 1 1 58 58 ASP HA H 58 4.450 4.450 4.410 0.040 19533 3226 1 8 . 1 1 58 58 ASP CA C 58 55.110 55.110 54.664 0.446 19533 3227 1 8 . 1 1 58 58 ASP CB C 58 39.500 39.500 40.185 -0.685 19533 3228 1 8 . 1 1 58 58 ASP H H 58 8.760 8.760 8.709 0.051 19533 3229 1 8 . 1 1 59 59 PRO HA H 59 4.430 4.430 4.374 0.056 19533 3230 1 8 . 1 1 59 59 PRO C C 59 176.690 176.690 175.931 0.759 19533 3231 1 8 . 1 1 59 59 PRO CA C 59 62.260 62.260 62.872 -0.612 19533 3232 1 8 . 1 1 59 59 PRO CB C 59 31.590 31.590 32.422 -0.833 19533 3233 1 8 . 1 1 60 60 SER N N 60 117.890 117.890 117.145 0.745 19533 3234 1 8 . 1 1 60 60 SER HA H 60 4.920 4.920 4.810 0.110 19533 3235 1 8 . 1 1 60 60 SER CA C 60 56.020 56.020 55.110 0.910 19533 3236 1 8 . 1 1 60 60 SER CB C 60 64.140 64.140 64.731 -0.591 19533 3237 1 8 . 1 1 60 60 SER H H 60 8.050 8.050 7.961 0.089 19533 3238 1 8 . 1 1 61 61 PRO HA H 61 4.240 4.240 4.375 -0.135 19533 3239 1 8 . 1 1 61 61 PRO CA C 61 66.000 66.000 64.784 1.216 19533 3240 1 8 . 1 1 61 61 PRO CB C 61 32.100 32.100 32.035 0.065 19533 3241 1 8 . 1 1 62 62 LYS HA H 62 4.150 4.150 4.072 0.078 19533 3242 1 8 . 1 1 62 62 LYS C C 62 179.040 179.040 178.906 0.134 19533 3243 1 8 . 1 1 62 62 LYS CA C 62 58.690 58.690 59.439 -0.749 19533 3244 1 8 . 1 1 62 62 LYS CB C 62 32.330 32.330 32.073 0.257 19533 3245 1 8 . 1 1 63 63 THR N N 63 118.760 118.760 116.109 2.651 19533 3246 1 8 . 1 1 63 63 THR HA H 63 3.880 3.880 4.104 -0.224 19533 3247 1 8 . 1 1 63 63 THR C C 63 175.480 175.480 176.252 -0.772 19533 3248 1 8 . 1 1 63 63 THR CA C 63 66.680 66.680 66.288 0.392 19533 3249 1 8 . 1 1 63 63 THR CB C 63 68.380 68.380 68.936 -0.556 19533 3250 1 8 . 1 1 63 63 THR H H 63 7.940 7.940 7.461 0.479 19533 3251 1 8 . 1 1 64 64 ILE N N 64 119.800 119.800 121.898 -2.098 19533 3252 1 8 . 1 1 64 64 ILE HA H 64 3.460 3.460 3.679 -0.219 19533 3253 1 8 . 1 1 64 64 ILE C C 64 176.830 176.830 177.428 -0.598 19533 3254 1 8 . 1 1 64 64 ILE CA C 64 65.180 65.180 65.031 0.149 19533 3255 1 8 . 1 1 64 64 ILE CB C 64 36.720 36.720 37.712 -0.992 19533 3256 1 8 . 1 1 64 64 ILE H H 64 7.620 7.620 7.221 0.399 19533 3257 1 8 . 1 1 65 65 ASP N N 65 118.090 118.090 119.913 -1.823 19533 3258 1 8 . 1 1 65 65 ASP HA H 65 4.220 4.220 4.253 -0.033 19533 3259 1 8 . 1 1 65 65 ASP C C 65 177.620 177.620 178.015 -0.395 19533 3260 1 8 . 1 1 65 65 ASP CA C 65 57.910 57.910 57.759 0.151 19533 3261 1 8 . 1 1 65 65 ASP CB C 65 42.150 42.150 40.905 1.245 19533 3262 1 8 . 1 1 65 65 ASP H H 65 7.790 7.790 7.812 -0.022 19533 3263 1 8 . 1 1 66 66 ALA N N 66 118.370 118.370 121.764 -3.394 19533 3264 1 8 . 1 1 66 66 ALA HA H 66 3.950 3.950 4.115 -0.165 19533 3265 1 8 . 1 1 66 66 ALA C C 66 181.140 181.140 179.583 1.557 19533 3266 1 8 . 1 1 66 66 ALA CA C 66 54.970 54.970 54.945 0.025 19533 3267 1 8 . 1 1 66 66 ALA CB C 66 18.670 18.670 18.507 0.163 19533 3268 1 8 . 1 1 66 66 ALA H H 66 7.620 7.620 7.550 0.070 19533 3269 1 8 . 1 1 67 67 LEU N N 67 118.030 118.030 119.693 -1.663 19533 3270 1 8 . 1 1 67 67 LEU HA H 67 3.950 3.950 4.004 -0.054 19533 3271 1 8 . 1 1 67 67 LEU C C 67 178.210 178.210 178.302 -0.092 19533 3272 1 8 . 1 1 67 67 LEU CA C 67 57.420 57.420 57.821 -0.401 19533 3273 1 8 . 1 1 67 67 LEU CB C 67 42.100 42.100 42.032 0.068 19533 3274 1 8 . 1 1 67 67 LEU H H 67 8.180 8.180 7.672 0.508 19533 3275 1 8 . 1 1 68 68 MET N N 68 114.280 114.280 115.959 -1.679 19533 3276 1 8 . 1 1 68 68 MET HA H 68 4.260 4.260 4.130 0.130 19533 3277 1 8 . 1 1 68 68 MET C C 68 177.050 177.050 178.520 -1.470 19533 3278 1 8 . 1 1 68 68 MET CA C 68 56.990 56.990 58.155 -1.165 19533 3279 1 8 . 1 1 68 68 MET CB C 68 32.390 32.390 32.628 -0.238 19533 3280 1 8 . 1 1 68 68 MET H H 68 7.770 7.770 7.976 -0.206 19533 3281 1 8 . 1 1 69 69 ARG N N 69 115.480 115.480 117.347 -1.867 19533 3282 1 8 . 1 1 69 69 ARG HA H 69 4.410 4.410 4.223 0.187 19533 3283 1 8 . 1 1 69 69 ARG C C 69 176.480 176.480 177.057 -0.577 19533 3284 1 8 . 1 1 69 69 ARG CA C 69 55.560 55.560 57.937 -2.377 19533 3285 1 8 . 1 1 69 69 ARG CB C 69 30.970 30.970 30.987 -0.017 19533 3286 1 8 . 1 1 69 69 ARG H H 69 7.180 7.180 7.496 -0.316 19533 3287 1 8 . 1 1 70 70 ILE N N 70 119.930 119.930 119.775 0.155 19533 3288 1 8 . 1 1 70 70 ILE HA H 70 3.930 3.930 4.129 -0.199 19533 3289 1 8 . 1 1 70 70 ILE CA C 70 62.270 62.270 60.607 1.663 19533 3290 1 8 . 1 1 70 70 ILE CB C 70 39.050 39.050 39.204 -0.154 19533 3291 1 8 . 1 1 70 70 ILE H H 70 7.070 7.070 7.428 -0.358 19533 3292 1 8 . 1 1 71 71 ASN HA H 71 4.860 4.860 4.891 -0.031 19533 3293 1 8 . 1 1 71 71 ASN C C 71 174.190 174.190 175.191 -1.001 19533 3294 1 8 . 1 1 71 71 ASN CA C 71 52.330 52.330 51.865 0.465 19533 3295 1 8 . 1 1 71 71 ASN CB C 71 39.180 39.180 39.351 -0.171 19533 3296 1 8 . 1 1 72 72 LEU N N 72 125.700 125.700 124.781 0.919 19533 3297 1 8 . 1 1 72 72 LEU HA H 72 4.610 4.610 4.342 0.268 19533 3298 1 8 . 1 1 72 72 LEU CA C 72 52.410 52.410 53.486 -1.076 19533 3299 1 8 . 1 1 72 72 LEU CB C 72 41.670 41.670 41.642 0.028 19533 3300 1 8 . 1 1 72 72 LEU H H 72 8.440 8.440 8.323 0.117 19533 3301 1 8 . 1 1 73 73 PRO HA H 73 4.420 4.420 4.480 -0.060 19533 3302 1 8 . 1 1 73 73 PRO C C 73 176.110 176.110 176.060 0.050 19533 3303 1 8 . 1 1 73 73 PRO CA C 73 62.240 62.240 62.390 -0.150 19533 3304 1 8 . 1 1 73 73 PRO CB C 73 32.450 32.450 32.501 -0.051 19533 3305 1 8 . 1 1 74 74 ALA N N 74 123.290 123.290 124.293 -1.003 19533 3306 1 8 . 1 1 74 74 ALA HA H 74 4.170 4.170 4.227 -0.057 19533 3307 1 8 . 1 1 74 74 ALA C C 74 178.430 178.430 178.543 -0.113 19533 3308 1 8 . 1 1 74 74 ALA CA C 74 53.550 53.550 52.998 0.551 19533 3309 1 8 . 1 1 74 74 ALA CB C 74 18.300 18.300 19.142 -0.842 19533 3310 1 8 . 1 1 74 74 ALA H H 74 8.160 8.160 8.250 -0.090 19533 3311 1 8 . 1 1 75 75 GLY N N 75 106.750 106.750 109.235 -2.485 19533 3312 1 8 . 1 1 75 75 GLY C C 75 174.140 174.140 173.319 0.821 19533 3313 1 8 . 1 1 75 75 GLY CA C 75 45.020 45.020 45.012 0.008 19533 3314 1 8 . 1 1 75 75 GLY H H 75 8.420 8.420 8.748 -0.328 19533 3315 1 8 . 1 1 76 76 VAL N N 76 120.550 120.550 118.710 1.840 19533 3316 1 8 . 1 1 76 76 VAL HA H 76 4.660 4.660 4.783 -0.123 19533 3317 1 8 . 1 1 76 76 VAL C C 76 174.120 174.120 174.636 -0.516 19533 3318 1 8 . 1 1 76 76 VAL CA C 76 61.070 61.070 60.913 0.157 19533 3319 1 8 . 1 1 76 76 VAL CB C 76 32.960 32.960 34.753 -1.793 19533 3320 1 8 . 1 1 76 76 VAL H H 76 7.460 7.460 7.396 0.064 19533 3321 1 8 . 1 1 77 77 ASP N N 77 128.070 128.070 126.776 1.294 19533 3322 1 8 . 1 1 77 77 ASP HA H 77 4.970 4.970 5.034 -0.064 19533 3323 1 8 . 1 1 77 77 ASP C C 77 175.020 175.020 174.730 0.290 19533 3324 1 8 . 1 1 77 77 ASP CA C 77 53.550 53.550 52.555 0.995 19533 3325 1 8 . 1 1 77 77 ASP CB C 77 43.840 43.840 43.849 -0.009 19533 3326 1 8 . 1 1 77 77 ASP H H 77 8.950 8.950 9.102 -0.152 19533 3327 1 8 . 1 1 78 78 VAL N N 78 122.000 122.000 120.924 1.076 19533 3328 1 8 . 1 1 78 78 VAL HA H 78 4.850 4.850 4.706 0.144 19533 3329 1 8 . 1 1 78 78 VAL C C 78 174.280 174.280 175.228 -0.948 19533 3330 1 8 . 1 1 78 78 VAL CA C 78 60.720 60.720 60.927 -0.207 19533 3331 1 8 . 1 1 78 78 VAL CB C 78 34.600 34.600 34.187 0.413 19533 3332 1 8 . 1 1 78 78 VAL H H 78 8.460 8.460 8.421 0.039 19533 3333 1 8 . 1 1 79 79 GLU N N 79 127.380 127.380 126.540 0.840 19533 3334 1 8 . 1 1 79 79 GLU CA C 79 54.800 54.800 54.465 0.335 19533 3335 1 8 . 1 1 79 79 GLU CB C 79 33.610 33.610 32.226 1.384 19533 3336 1 8 . 1 1 79 79 GLU H H 79 8.820 8.820 8.263 0.557 19533 3337 1 9 . 1 1 3 3 GLY C C 3 174.400 174.400 175.699 -1.299 19533 3338 1 9 . 1 1 3 3 GLY CA C 3 45.570 45.570 44.900 0.670 19533 3339 1 9 . 1 1 4 4 GLY N N 4 109.110 109.110 107.549 1.561 19533 3340 1 9 . 1 1 4 4 GLY C C 4 174.070 174.070 174.479 -0.409 19533 3341 1 9 . 1 1 4 4 GLY CA C 4 45.410 45.410 45.515 -0.105 19533 3342 1 9 . 1 1 4 4 GLY H H 4 8.380 8.380 8.615 -0.235 19533 3343 1 9 . 1 1 5 5 GLN N N 5 119.810 119.810 118.996 0.814 19533 3344 1 9 . 1 1 5 5 GLN HA H 5 4.470 4.470 4.619 -0.149 19533 3345 1 9 . 1 1 5 5 GLN C C 5 174.980 174.980 174.520 0.460 19533 3346 1 9 . 1 1 5 5 GLN CA C 5 56.300 56.300 54.714 1.586 19533 3347 1 9 . 1 1 5 5 GLN CB C 5 30.080 30.080 31.168 -1.088 19533 3348 1 9 . 1 1 5 5 GLN H H 5 8.280 8.280 7.860 0.420 19533 3349 1 9 . 1 1 6 6 LYS N N 6 120.240 120.240 119.433 0.807 19533 3350 1 9 . 1 1 6 6 LYS HA H 6 5.080 5.080 5.045 0.035 19533 3351 1 9 . 1 1 6 6 LYS C C 6 175.110 175.110 175.338 -0.228 19533 3352 1 9 . 1 1 6 6 LYS CA C 6 55.330 55.330 54.713 0.617 19533 3353 1 9 . 1 1 6 6 LYS CB C 6 35.450 35.450 35.480 -0.030 19533 3354 1 9 . 1 1 6 6 LYS H H 6 8.080 8.080 8.394 -0.314 19533 3355 1 9 . 1 1 7 7 ILE N N 7 120.690 120.690 121.548 -0.858 19533 3356 1 9 . 1 1 7 7 ILE HA H 7 4.540 4.540 4.472 0.068 19533 3357 1 9 . 1 1 7 7 ILE C C 7 173.880 173.880 175.145 -1.265 19533 3358 1 9 . 1 1 7 7 ILE CA C 7 60.520 60.520 60.056 0.464 19533 3359 1 9 . 1 1 7 7 ILE CB C 7 40.830 40.830 41.186 -0.356 19533 3360 1 9 . 1 1 7 7 ILE H H 7 8.770 8.770 8.257 0.513 19533 3361 1 9 . 1 1 8 8 ARG N N 8 127.060 127.060 124.830 2.230 19533 3362 1 9 . 1 1 8 8 ARG HA H 8 5.330 5.330 5.371 -0.041 19533 3363 1 9 . 1 1 8 8 ARG C C 8 174.690 174.690 175.354 -0.664 19533 3364 1 9 . 1 1 8 8 ARG CA C 8 55.070 55.070 54.675 0.395 19533 3365 1 9 . 1 1 8 8 ARG CB C 8 32.370 32.370 33.147 -0.777 19533 3366 1 9 . 1 1 8 8 ARG H H 8 8.480 8.480 8.519 -0.039 19533 3367 1 9 . 1 1 9 9 ILE N N 9 127.670 127.670 124.092 3.578 19533 3368 1 9 . 1 1 9 9 ILE HA H 9 4.800 4.800 4.423 0.377 19533 3369 1 9 . 1 1 9 9 ILE C C 9 174.380 174.380 174.885 -0.505 19533 3370 1 9 . 1 1 9 9 ILE CA C 9 60.240 60.240 60.100 0.140 19533 3371 1 9 . 1 1 9 9 ILE CB C 9 39.860 39.860 41.528 -1.668 19533 3372 1 9 . 1 1 9 9 ILE H H 9 9.540 9.540 8.780 0.760 19533 3373 1 9 . 1 1 10 10 LYS N N 10 127.240 127.240 126.556 0.684 19533 3374 1 9 . 1 1 10 10 LYS HA H 10 5.220 5.220 5.260 -0.040 19533 3375 1 9 . 1 1 10 10 LYS C C 10 175.130 175.130 175.528 -0.398 19533 3376 1 9 . 1 1 10 10 LYS CA C 10 54.760 54.760 55.233 -0.473 19533 3377 1 9 . 1 1 10 10 LYS CB C 10 34.940 34.940 34.514 0.426 19533 3378 1 9 . 1 1 10 10 LYS H H 10 9.050 9.050 8.597 0.453 19533 3379 1 9 . 1 1 11 11 LEU N N 11 124.480 124.480 124.657 -0.177 19533 3380 1 9 . 1 1 11 11 LEU HA H 11 5.450 5.450 5.276 0.174 19533 3381 1 9 . 1 1 11 11 LEU C C 11 176.000 176.000 175.929 0.071 19533 3382 1 9 . 1 1 11 11 LEU CA C 11 53.320 53.320 53.661 -0.341 19533 3383 1 9 . 1 1 11 11 LEU CB C 11 46.960 46.960 44.051 2.909 19533 3384 1 9 . 1 1 11 11 LEU H H 11 8.790 8.790 8.947 -0.157 19533 3385 1 9 . 1 1 12 12 LYS N N 12 119.690 119.690 121.356 -1.666 19533 3386 1 9 . 1 1 12 12 LYS HA H 12 5.570 5.570 5.115 0.455 19533 3387 1 9 . 1 1 12 12 LYS C C 12 174.610 174.610 174.985 -0.375 19533 3388 1 9 . 1 1 12 12 LYS CA C 12 54.600 54.600 55.024 -0.424 19533 3389 1 9 . 1 1 12 12 LYS CB C 12 36.480 36.480 35.458 1.022 19533 3390 1 9 . 1 1 12 12 LYS H H 12 8.550 8.550 8.559 -0.009 19533 3391 1 9 . 1 1 13 13 ALA N N 13 120.780 120.780 125.734 -4.954 19533 3392 1 9 . 1 1 13 13 ALA HA H 13 4.720 4.720 4.555 0.165 19533 3393 1 9 . 1 1 13 13 ALA C C 13 176.120 176.120 176.046 0.074 19533 3394 1 9 . 1 1 13 13 ALA CA C 13 52.230 52.230 51.768 0.462 19533 3395 1 9 . 1 1 13 13 ALA CB C 13 24.780 24.780 21.549 3.231 19533 3396 1 9 . 1 1 13 13 ALA H H 13 8.740 8.740 8.028 0.712 19533 3397 1 9 . 1 1 14 14 TYR N N 14 117.810 117.810 119.533 -1.723 19533 3398 1 9 . 1 1 14 14 TYR HA H 14 4.920 4.920 4.672 0.248 19533 3399 1 9 . 1 1 14 14 TYR C C 14 175.960 175.960 176.412 -0.452 19533 3400 1 9 . 1 1 14 14 TYR CA C 14 59.790 59.790 60.226 -0.436 19533 3401 1 9 . 1 1 14 14 TYR CB C 14 38.840 38.840 38.867 -0.027 19533 3402 1 9 . 1 1 14 14 TYR H H 14 8.670 8.670 8.790 -0.120 19533 3403 1 9 . 1 1 15 15 ASP N N 15 118.650 118.650 117.272 1.378 19533 3404 1 9 . 1 1 15 15 ASP HA H 15 4.890 4.890 4.962 -0.072 19533 3405 1 9 . 1 1 15 15 ASP C C 15 175.980 175.980 176.299 -0.319 19533 3406 1 9 . 1 1 15 15 ASP CA C 15 52.830 52.830 53.799 -0.969 19533 3407 1 9 . 1 1 15 15 ASP CB C 15 42.420 42.420 41.125 1.295 19533 3408 1 9 . 1 1 15 15 ASP H H 15 7.390 7.390 7.951 -0.561 19533 3409 1 9 . 1 1 16 16 HIS N N 16 124.080 124.080 125.771 -1.691 19533 3410 1 9 . 1 1 16 16 HIS HA H 16 3.830 3.830 4.121 -0.291 19533 3411 1 9 . 1 1 16 16 HIS C C 16 176.000 176.000 176.509 -0.509 19533 3412 1 9 . 1 1 16 16 HIS CA C 16 59.190 59.190 60.260 -1.070 19533 3413 1 9 . 1 1 16 16 HIS CB C 16 29.030 29.030 30.542 -1.512 19533 3414 1 9 . 1 1 16 16 HIS H H 16 8.190 8.190 8.855 -0.665 19533 3415 1 9 . 1 1 17 17 GLU N N 17 121.830 121.830 119.456 2.374 19533 3416 1 9 . 1 1 17 17 GLU HA H 17 4.040 4.040 3.970 0.070 19533 3417 1 9 . 1 1 17 17 GLU C C 17 179.540 179.540 178.961 0.579 19533 3418 1 9 . 1 1 17 17 GLU CA C 17 59.520 59.520 59.265 0.255 19533 3419 1 9 . 1 1 17 17 GLU CB C 17 29.020 29.020 29.422 -0.402 19533 3420 1 9 . 1 1 17 17 GLU H H 17 7.740 7.740 8.463 -0.723 19533 3421 1 9 . 1 1 18 18 LEU N N 18 121.120 121.120 119.445 1.675 19533 3422 1 9 . 1 1 18 18 LEU HA H 18 4.030 4.030 4.062 -0.032 19533 3423 1 9 . 1 1 18 18 LEU C C 18 180.600 180.600 178.471 2.129 19533 3424 1 9 . 1 1 18 18 LEU CA C 18 57.050 57.050 57.846 -0.796 19533 3425 1 9 . 1 1 18 18 LEU CB C 18 42.390 42.390 41.058 1.332 19533 3426 1 9 . 1 1 18 18 LEU H H 18 7.510 7.510 8.192 -0.682 19533 3427 1 9 . 1 1 19 19 LEU N N 19 121.190 121.190 118.611 2.579 19533 3428 1 9 . 1 1 19 19 LEU HA H 19 3.750 3.750 3.903 -0.153 19533 3429 1 9 . 1 1 19 19 LEU C C 19 177.580 177.580 179.285 -1.705 19533 3430 1 9 . 1 1 19 19 LEU CA C 19 57.950 57.950 57.653 0.297 19533 3431 1 9 . 1 1 19 19 LEU CB C 19 42.100 42.100 41.194 0.906 19533 3432 1 9 . 1 1 19 19 LEU H H 19 7.780 7.780 7.215 0.565 19533 3433 1 9 . 1 1 20 20 ASP N N 20 119.750 119.750 119.263 0.487 19533 3434 1 9 . 1 1 20 20 ASP HA H 20 4.490 4.490 4.208 0.282 19533 3435 1 9 . 1 1 20 20 ASP C C 20 179.450 179.450 178.426 1.024 19533 3436 1 9 . 1 1 20 20 ASP CA C 20 58.070 58.070 57.181 0.889 19533 3437 1 9 . 1 1 20 20 ASP CB C 20 40.130 40.130 40.519 -0.389 19533 3438 1 9 . 1 1 20 20 ASP H H 20 8.150 8.150 7.571 0.579 19533 3439 1 9 . 1 1 21 21 GLU N N 21 120.710 120.710 118.938 1.772 19533 3440 1 9 . 1 1 21 21 GLU HA H 21 4.080 4.080 3.989 0.091 19533 3441 1 9 . 1 1 21 21 GLU C C 21 179.370 179.370 179.107 0.263 19533 3442 1 9 . 1 1 21 21 GLU CA C 21 59.210 59.210 59.378 -0.168 19533 3443 1 9 . 1 1 21 21 GLU CB C 21 29.650 29.650 29.594 0.056 19533 3444 1 9 . 1 1 21 21 GLU H H 21 8.050 8.050 7.661 0.389 19533 3445 1 9 . 1 1 22 22 SER N N 22 116.150 116.150 114.867 1.283 19533 3446 1 9 . 1 1 22 22 SER HA H 22 4.090 4.090 4.190 -0.100 19533 3447 1 9 . 1 1 22 22 SER C C 22 175.000 175.000 176.546 -1.546 19533 3448 1 9 . 1 1 22 22 SER CA C 22 62.900 62.900 61.536 1.364 19533 3449 1 9 . 1 1 22 22 SER CB C 22 62.900 62.900 63.114 -0.214 19533 3450 1 9 . 1 1 22 22 SER H H 22 7.950 7.950 7.761 0.189 19533 3451 1 9 . 1 1 23 23 ALA N N 23 123.240 123.240 124.870 -1.630 19533 3452 1 9 . 1 1 23 23 ALA HA H 23 3.760 3.760 4.143 -0.383 19533 3453 1 9 . 1 1 23 23 ALA C C 23 178.540 178.540 179.237 -0.697 19533 3454 1 9 . 1 1 23 23 ALA CA C 23 55.190 55.190 54.824 0.366 19533 3455 1 9 . 1 1 23 23 ALA CB C 23 17.870 17.870 18.259 -0.389 19533 3456 1 9 . 1 1 23 23 ALA H H 23 8.560 8.560 7.859 0.701 19533 3457 1 9 . 1 1 24 24 LYS N N 24 116.780 116.780 119.288 -2.508 19533 3458 1 9 . 1 1 24 24 LYS HA H 24 3.840 3.840 3.914 -0.074 19533 3459 1 9 . 1 1 24 24 LYS C C 24 178.720 178.720 178.800 -0.080 19533 3460 1 9 . 1 1 24 24 LYS CA C 24 59.940 59.940 59.886 0.054 19533 3461 1 9 . 1 1 24 24 LYS CB C 24 32.250 32.250 32.292 -0.042 19533 3462 1 9 . 1 1 24 24 LYS H H 24 7.750 7.750 7.921 -0.171 19533 3463 1 9 . 1 1 25 25 LYS N N 25 118.950 118.950 119.386 -0.436 19533 3464 1 9 . 1 1 25 25 LYS HA H 25 4.040 4.040 4.041 -0.001 19533 3465 1 9 . 1 1 25 25 LYS C C 25 178.720 178.720 179.324 -0.604 19533 3466 1 9 . 1 1 25 25 LYS CA C 25 59.000 59.000 59.594 -0.594 19533 3467 1 9 . 1 1 25 25 LYS CB C 25 32.120 32.120 32.429 -0.309 19533 3468 1 9 . 1 1 25 25 LYS H H 25 7.580 7.580 7.669 -0.089 19533 3469 1 9 . 1 1 26 26 ILE N N 26 118.310 118.310 120.077 -1.767 19533 3470 1 9 . 1 1 26 26 ILE HA H 26 3.470 3.470 3.814 -0.344 19533 3471 1 9 . 1 1 26 26 ILE CA C 26 65.060 65.060 62.713 2.347 19533 3472 1 9 . 1 1 26 26 ILE CB C 26 36.720 36.720 36.661 0.059 19533 3473 1 9 . 1 1 26 26 ILE H H 26 7.610 7.610 7.652 -0.042 19533 3474 1 9 . 1 1 27 27 VAL N N 27 118.900 118.900 121.108 -2.208 19533 3475 1 9 . 1 1 27 27 VAL HA H 27 3.390 3.390 3.477 -0.087 19533 3476 1 9 . 1 1 27 27 VAL C C 27 177.550 177.550 178.112 -0.562 19533 3477 1 9 . 1 1 27 27 VAL CA C 27 67.630 67.630 67.567 0.062 19533 3478 1 9 . 1 1 27 27 VAL CB C 27 31.420 31.420 31.548 -0.128 19533 3479 1 9 . 1 1 27 27 VAL H H 27 7.950 7.950 8.783 -0.833 19533 3480 1 9 . 1 1 28 28 GLU N N 28 118.800 118.800 120.458 -1.658 19533 3481 1 9 . 1 1 28 28 GLU HA H 28 3.980 3.980 4.035 -0.055 19533 3482 1 9 . 1 1 28 28 GLU C C 28 180.130 180.130 178.672 1.458 19533 3483 1 9 . 1 1 28 28 GLU CA C 28 59.740 59.740 59.606 0.134 19533 3484 1 9 . 1 1 28 28 GLU CB C 28 29.380 29.380 29.317 0.063 19533 3485 1 9 . 1 1 28 28 GLU H H 28 8.180 8.180 8.367 -0.187 19533 3486 1 9 . 1 1 29 29 VAL N N 29 120.730 120.730 118.962 1.768 19533 3487 1 9 . 1 1 29 29 VAL HA H 29 3.710 3.710 3.751 -0.041 19533 3488 1 9 . 1 1 29 29 VAL C C 29 179.240 179.240 178.324 0.916 19533 3489 1 9 . 1 1 29 29 VAL CA C 29 66.290 66.290 65.731 0.559 19533 3490 1 9 . 1 1 29 29 VAL CB C 29 31.420 31.420 31.300 0.120 19533 3491 1 9 . 1 1 29 29 VAL H H 29 8.120 8.120 7.928 0.192 19533 3492 1 9 . 1 1 30 30 ALA N N 30 123.770 123.770 122.365 1.405 19533 3493 1 9 . 1 1 30 30 ALA HA H 30 3.880 3.880 4.041 -0.161 19533 3494 1 9 . 1 1 30 30 ALA C C 30 179.630 179.630 179.852 -0.222 19533 3495 1 9 . 1 1 30 30 ALA CA C 30 55.560 55.560 55.130 0.430 19533 3496 1 9 . 1 1 30 30 ALA CB C 30 18.000 18.000 18.298 -0.298 19533 3497 1 9 . 1 1 30 30 ALA H H 30 8.310 8.310 8.582 -0.272 19533 3498 1 9 . 1 1 31 31 LYS N N 31 118.260 118.260 118.220 0.040 19533 3499 1 9 . 1 1 31 31 LYS HA H 31 4.200 4.200 4.023 0.177 19533 3500 1 9 . 1 1 31 31 LYS C C 31 180.710 180.710 177.913 2.797 19533 3501 1 9 . 1 1 31 31 LYS CA C 31 59.910 59.910 58.737 1.173 19533 3502 1 9 . 1 1 31 31 LYS CB C 31 32.270 32.270 32.460 -0.190 19533 3503 1 9 . 1 1 31 31 LYS H H 31 8.710 8.710 8.440 0.270 19533 3504 1 9 . 1 1 32 32 SER N N 32 115.760 115.760 112.072 3.688 19533 3505 1 9 . 1 1 32 32 SER HA H 32 4.380 4.380 4.324 0.056 19533 3506 1 9 . 1 1 32 32 SER C C 32 175.120 175.120 175.287 -0.167 19533 3507 1 9 . 1 1 32 32 SER CA C 32 61.300 61.300 60.202 1.098 19533 3508 1 9 . 1 1 32 32 SER CB C 32 63.220 63.220 63.307 -0.087 19533 3509 1 9 . 1 1 32 32 SER H H 32 8.310 8.310 7.797 0.513 19533 3510 1 9 . 1 1 33 33 THR N N 33 108.990 108.990 114.136 -5.146 19533 3511 1 9 . 1 1 33 33 THR HA H 33 4.490 4.490 4.354 0.136 19533 3512 1 9 . 1 1 33 33 THR C C 33 173.390 173.390 174.615 -1.225 19533 3513 1 9 . 1 1 33 33 THR CA C 33 60.910 60.910 61.716 -0.806 19533 3514 1 9 . 1 1 33 33 THR CB C 33 68.860 68.860 70.414 -1.554 19533 3515 1 9 . 1 1 33 33 THR H H 33 7.330 7.330 7.528 -0.198 19533 3516 1 9 . 1 1 34 34 ASN N N 34 115.250 115.250 118.867 -3.617 19533 3517 1 9 . 1 1 34 34 ASN HA H 34 4.450 4.450 4.542 -0.092 19533 3518 1 9 . 1 1 34 34 ASN C C 34 174.490 174.490 176.022 -1.532 19533 3519 1 9 . 1 1 34 34 ASN CA C 34 54.800 54.800 54.565 0.235 19533 3520 1 9 . 1 1 34 34 ASN CB C 34 37.160 37.160 38.356 -1.196 19533 3521 1 9 . 1 1 34 34 ASN H H 34 7.910 7.910 8.751 -0.841 19533 3522 1 9 . 1 1 35 35 SER N N 35 113.160 113.160 114.637 -1.477 19533 3523 1 9 . 1 1 35 35 SER HA H 35 4.830 4.830 4.533 0.297 19533 3524 1 9 . 1 1 35 35 SER C C 35 173.250 173.250 173.277 -0.027 19533 3525 1 9 . 1 1 35 35 SER CA C 35 58.550 58.550 58.581 -0.031 19533 3526 1 9 . 1 1 35 35 SER CB C 35 64.910 64.910 64.655 0.255 19533 3527 1 9 . 1 1 35 35 SER H H 35 7.800 7.800 7.817 -0.017 19533 3528 1 9 . 1 1 36 36 LYS N N 36 123.770 123.770 121.518 2.252 19533 3529 1 9 . 1 1 36 36 LYS HA H 36 4.420 4.420 4.685 -0.265 19533 3530 1 9 . 1 1 36 36 LYS C C 36 175.270 175.270 174.635 0.635 19533 3531 1 9 . 1 1 36 36 LYS CA C 36 56.290 56.290 54.985 1.305 19533 3532 1 9 . 1 1 36 36 LYS CB C 36 33.390 33.390 36.142 -2.752 19533 3533 1 9 . 1 1 36 36 LYS H H 36 8.390 8.390 8.203 0.187 19533 3534 1 9 . 1 1 37 37 VAL N N 37 119.710 119.710 125.741 -6.031 19533 3535 1 9 . 1 1 37 37 VAL HA H 37 5.010 5.010 4.694 0.316 19533 3536 1 9 . 1 1 37 37 VAL C C 37 175.120 175.120 175.304 -0.184 19533 3537 1 9 . 1 1 37 37 VAL CA C 37 59.800 59.800 60.918 -1.118 19533 3538 1 9 . 1 1 37 37 VAL CB C 37 35.260 35.260 34.480 0.780 19533 3539 1 9 . 1 1 37 37 VAL H H 37 8.130 8.130 8.498 -0.368 19533 3540 1 9 . 1 1 38 38 SER N N 38 121.650 121.650 121.235 0.415 19533 3541 1 9 . 1 1 38 38 SER HA H 38 4.810 4.810 4.881 -0.071 19533 3542 1 9 . 1 1 38 38 SER C C 38 173.290 173.290 173.161 0.129 19533 3543 1 9 . 1 1 38 38 SER CA C 38 56.930 56.930 56.900 0.030 19533 3544 1 9 . 1 1 38 38 SER CB C 38 64.420 64.420 65.581 -1.161 19533 3545 1 9 . 1 1 38 38 SER H H 38 9.060 9.060 9.230 -0.170 19533 3546 1 9 . 1 1 39 39 GLY N N 39 112.740 112.740 110.080 2.660 19533 3547 1 9 . 1 1 39 39 GLY CA C 39 43.180 43.180 44.716 -1.536 19533 3548 1 9 . 1 1 39 39 GLY H H 39 8.430 8.430 8.095 0.335 19533 3549 1 9 . 1 1 40 40 PRO HA H 40 4.760 4.760 4.434 0.326 19533 3550 1 9 . 1 1 40 40 PRO C C 40 175.760 175.760 175.722 0.038 19533 3551 1 9 . 1 1 40 40 PRO CA C 40 61.350 61.350 62.979 -1.629 19533 3552 1 9 . 1 1 40 40 PRO CB C 40 34.780 34.780 32.603 2.177 19533 3553 1 9 . 1 1 41 41 ILE N N 41 125.440 125.440 123.208 2.232 19533 3554 1 9 . 1 1 41 41 ILE HA H 41 4.750 4.750 4.395 0.355 19533 3555 1 9 . 1 1 41 41 ILE CA C 41 57.700 57.700 58.472 -0.772 19533 3556 1 9 . 1 1 41 41 ILE CB C 41 40.570 40.570 38.329 2.241 19533 3557 1 9 . 1 1 41 41 ILE H H 41 9.560 9.560 9.006 0.554 19533 3558 1 9 . 1 1 42 42 PRO HA H 42 4.820 4.820 4.558 0.262 19533 3559 1 9 . 1 1 42 42 PRO C C 42 175.600 175.600 175.760 -0.160 19533 3560 1 9 . 1 1 42 42 PRO CA C 42 62.720 62.720 63.015 -0.295 19533 3561 1 9 . 1 1 42 42 PRO CB C 42 31.740 31.740 31.963 -0.223 19533 3562 1 9 . 1 1 43 43 LEU N N 43 123.010 123.010 126.923 -3.913 19533 3563 1 9 . 1 1 43 43 LEU HA H 43 4.830 4.830 4.861 -0.031 19533 3564 1 9 . 1 1 43 43 LEU CA C 43 51.960 51.960 51.477 0.483 19533 3565 1 9 . 1 1 43 43 LEU CB C 43 42.460 42.460 42.078 0.382 19533 3566 1 9 . 1 1 43 43 LEU H H 43 7.230 7.230 8.083 -0.853 19533 3567 1 9 . 1 1 44 44 PRO HA H 44 4.370 4.370 4.564 -0.194 19533 3568 1 9 . 1 1 44 44 PRO C C 44 176.620 176.620 175.872 0.748 19533 3569 1 9 . 1 1 44 44 PRO CA C 44 63.660 63.660 62.546 1.114 19533 3570 1 9 . 1 1 44 44 PRO CB C 44 31.780 31.780 32.360 -0.580 19533 3571 1 9 . 1 1 45 45 THR N N 45 121.280 121.280 115.360 5.920 19533 3572 1 9 . 1 1 45 45 THR HA H 45 4.380 4.380 4.764 -0.384 19533 3573 1 9 . 1 1 45 45 THR CA C 45 63.240 63.240 60.110 3.130 19533 3574 1 9 . 1 1 45 45 THR CB C 45 69.520 69.520 71.602 -2.082 19533 3575 1 9 . 1 1 45 45 THR H H 45 8.360 8.360 8.066 0.294 19533 3576 1 9 . 1 1 46 46 GLU C C 46 176.830 176.830 176.385 0.445 19533 3577 1 9 . 1 1 46 46 GLU CB C 46 24.950 24.950 33.297 -8.347 19533 3578 1 9 . 1 1 47 47 SER N N 47 121.430 121.430 117.712 3.718 19533 3579 1 9 . 1 1 47 47 SER HA H 47 4.910 4.910 4.052 0.858 19533 3580 1 9 . 1 1 47 47 SER CA C 47 55.810 55.810 61.050 -5.240 19533 3581 1 9 . 1 1 47 47 SER CB C 47 64.100 64.100 62.917 1.183 19533 3582 1 9 . 1 1 47 47 SER H H 47 7.820 7.820 8.998 -1.178 19533 3583 1 9 . 1 1 48 48 ARG HA H 48 3.650 3.650 4.431 -0.781 19533 3584 1 9 . 1 1 48 48 ARG C C 48 173.650 173.650 174.062 -0.412 19533 3585 1 9 . 1 1 48 48 ARG CA C 48 58.000 58.000 55.383 2.617 19533 3586 1 9 . 1 1 48 48 ARG CB C 48 28.170 28.170 32.280 -4.110 19533 3587 1 9 . 1 1 49 49 VAL N N 49 119.480 119.480 120.711 -1.231 19533 3588 1 9 . 1 1 49 49 VAL HA H 49 3.530 3.530 4.244 -0.714 19533 3589 1 9 . 1 1 49 49 VAL C C 49 174.680 174.680 174.500 0.180 19533 3590 1 9 . 1 1 49 49 VAL CA C 49 62.880 62.880 60.460 2.420 19533 3591 1 9 . 1 1 49 49 VAL CB C 49 32.030 32.030 32.848 -0.818 19533 3592 1 9 . 1 1 49 49 VAL H H 49 7.700 7.700 8.451 -0.751 19533 3593 1 9 . 1 1 50 50 HIS N N 50 128.530 128.530 126.501 2.029 19533 3594 1 9 . 1 1 50 50 HIS HA H 50 4.720 4.720 4.997 -0.277 19533 3595 1 9 . 1 1 50 50 HIS C C 50 175.470 175.470 174.071 1.399 19533 3596 1 9 . 1 1 50 50 HIS CA C 50 55.380 55.380 54.606 0.774 19533 3597 1 9 . 1 1 50 50 HIS CB C 50 32.950 32.950 32.855 0.095 19533 3598 1 9 . 1 1 50 50 HIS H H 50 8.350 8.350 8.502 -0.152 19533 3599 1 9 . 1 1 51 51 LYS N N 51 117.460 117.460 120.111 -2.651 19533 3600 1 9 . 1 1 51 51 LYS HA H 51 5.770 5.770 5.570 0.200 19533 3601 1 9 . 1 1 51 51 LYS C C 51 177.900 177.900 175.590 2.310 19533 3602 1 9 . 1 1 51 51 LYS CA C 51 55.210 55.210 54.785 0.425 19533 3603 1 9 . 1 1 51 51 LYS CB C 51 39.360 39.360 36.226 3.134 19533 3604 1 9 . 1 1 51 51 LYS H H 51 8.940 8.940 8.688 0.252 19533 3605 1 9 . 1 1 52 52 ARG N N 52 120.830 120.830 120.282 0.548 19533 3606 1 9 . 1 1 52 52 ARG HA H 52 5.240 5.240 5.131 0.109 19533 3607 1 9 . 1 1 52 52 ARG C C 52 173.860 173.860 174.017 -0.157 19533 3608 1 9 . 1 1 52 52 ARG CA C 52 53.070 53.070 54.895 -1.825 19533 3609 1 9 . 1 1 52 52 ARG CB C 52 34.830 34.830 34.720 0.110 19533 3610 1 9 . 1 1 52 52 ARG H H 52 8.990 8.990 8.445 0.545 19533 3611 1 9 . 1 1 53 53 LEU N N 53 122.250 122.250 124.169 -1.919 19533 3612 1 9 . 1 1 53 53 LEU HA H 53 5.440 5.440 5.585 -0.145 19533 3613 1 9 . 1 1 53 53 LEU C C 53 176.140 176.140 174.807 1.333 19533 3614 1 9 . 1 1 53 53 LEU CA C 53 53.800 53.800 53.358 0.442 19533 3615 1 9 . 1 1 53 53 LEU CB C 53 46.410 46.410 46.156 0.254 19533 3616 1 9 . 1 1 53 53 LEU H H 53 8.880 8.880 9.156 -0.276 19533 3617 1 9 . 1 1 54 54 ILE N N 54 124.790 124.790 127.283 -2.493 19533 3618 1 9 . 1 1 54 54 ILE HA H 54 4.420 4.420 4.506 -0.086 19533 3619 1 9 . 1 1 54 54 ILE C C 54 173.160 173.160 174.614 -1.454 19533 3620 1 9 . 1 1 54 54 ILE CA C 54 61.420 61.420 60.468 0.952 19533 3621 1 9 . 1 1 54 54 ILE CB C 54 43.480 43.480 40.027 3.453 19533 3622 1 9 . 1 1 54 54 ILE H H 54 9.280 9.280 9.109 0.171 19533 3623 1 9 . 1 1 55 55 ASP N N 55 126.260 126.260 128.035 -1.775 19533 3624 1 9 . 1 1 55 55 ASP HA H 55 5.800 5.800 5.349 0.451 19533 3625 1 9 . 1 1 55 55 ASP C C 55 175.300 175.300 175.453 -0.153 19533 3626 1 9 . 1 1 55 55 ASP CA C 55 53.120 53.120 53.053 0.067 19533 3627 1 9 . 1 1 55 55 ASP CB C 55 43.530 43.530 42.870 0.660 19533 3628 1 9 . 1 1 55 55 ASP H H 55 8.560 8.560 8.667 -0.107 19533 3629 1 9 . 1 1 56 56 ILE N N 56 122.260 122.260 122.550 -0.290 19533 3630 1 9 . 1 1 56 56 ILE HA H 56 4.620 4.620 4.568 0.052 19533 3631 1 9 . 1 1 56 56 ILE C C 56 174.610 174.610 175.286 -0.676 19533 3632 1 9 . 1 1 56 56 ILE CA C 56 60.160 60.160 60.472 -0.312 19533 3633 1 9 . 1 1 56 56 ILE CB C 56 38.520 38.520 40.496 -1.976 19533 3634 1 9 . 1 1 56 56 ILE H H 56 9.100 9.100 8.924 0.176 19533 3635 1 9 . 1 1 57 57 ILE N N 57 128.860 128.860 127.166 1.694 19533 3636 1 9 . 1 1 57 57 ILE HA H 57 4.200 4.200 4.376 -0.176 19533 3637 1 9 . 1 1 57 57 ILE C C 57 174.350 174.350 175.028 -0.678 19533 3638 1 9 . 1 1 57 57 ILE CA C 57 60.810 60.810 60.127 0.683 19533 3639 1 9 . 1 1 57 57 ILE CB C 57 39.300 39.300 40.984 -1.684 19533 3640 1 9 . 1 1 57 57 ILE H H 57 8.480 8.480 9.336 -0.856 19533 3641 1 9 . 1 1 58 58 ASP N N 58 122.140 122.140 122.992 -0.852 19533 3642 1 9 . 1 1 58 58 ASP HA H 58 4.450 4.450 4.373 0.077 19533 3643 1 9 . 1 1 58 58 ASP CA C 58 55.110 55.110 54.516 0.594 19533 3644 1 9 . 1 1 58 58 ASP CB C 58 39.500 39.500 40.766 -1.266 19533 3645 1 9 . 1 1 58 58 ASP H H 58 8.760 8.760 8.672 0.088 19533 3646 1 9 . 1 1 59 59 PRO HA H 59 4.430 4.430 4.397 0.033 19533 3647 1 9 . 1 1 59 59 PRO C C 59 176.690 176.690 176.092 0.598 19533 3648 1 9 . 1 1 59 59 PRO CA C 59 62.260 62.260 63.099 -0.840 19533 3649 1 9 . 1 1 59 59 PRO CB C 59 31.590 31.590 32.348 -0.758 19533 3650 1 9 . 1 1 60 60 SER N N 60 117.890 117.890 117.357 0.533 19533 3651 1 9 . 1 1 60 60 SER HA H 60 4.920 4.920 4.913 0.007 19533 3652 1 9 . 1 1 60 60 SER CA C 60 56.020 56.020 55.102 0.918 19533 3653 1 9 . 1 1 60 60 SER CB C 60 64.140 64.140 65.194 -1.054 19533 3654 1 9 . 1 1 60 60 SER H H 60 8.050 8.050 7.928 0.122 19533 3655 1 9 . 1 1 61 61 PRO HA H 61 4.240 4.240 4.383 -0.143 19533 3656 1 9 . 1 1 61 61 PRO CA C 61 66.000 66.000 64.808 1.192 19533 3657 1 9 . 1 1 61 61 PRO CB C 61 32.100 32.100 32.137 -0.037 19533 3658 1 9 . 1 1 62 62 LYS HA H 62 4.150 4.150 4.128 0.022 19533 3659 1 9 . 1 1 62 62 LYS C C 62 179.040 179.040 178.379 0.661 19533 3660 1 9 . 1 1 62 62 LYS CA C 62 58.690 58.690 59.203 -0.513 19533 3661 1 9 . 1 1 62 62 LYS CB C 62 32.330 32.330 32.090 0.240 19533 3662 1 9 . 1 1 63 63 THR N N 63 118.760 118.760 115.453 3.307 19533 3663 1 9 . 1 1 63 63 THR HA H 63 3.880 3.880 4.102 -0.222 19533 3664 1 9 . 1 1 63 63 THR C C 63 175.480 175.480 176.241 -0.761 19533 3665 1 9 . 1 1 63 63 THR CA C 63 66.680 66.680 67.080 -0.400 19533 3666 1 9 . 1 1 63 63 THR CB C 63 68.380 68.380 68.720 -0.340 19533 3667 1 9 . 1 1 63 63 THR H H 63 7.940 7.940 7.454 0.486 19533 3668 1 9 . 1 1 64 64 ILE N N 64 119.800 119.800 121.671 -1.871 19533 3669 1 9 . 1 1 64 64 ILE HA H 64 3.460 3.460 3.723 -0.263 19533 3670 1 9 . 1 1 64 64 ILE C C 64 176.830 176.830 177.495 -0.665 19533 3671 1 9 . 1 1 64 64 ILE CA C 64 65.180 65.180 64.800 0.380 19533 3672 1 9 . 1 1 64 64 ILE CB C 64 36.720 36.720 37.642 -0.922 19533 3673 1 9 . 1 1 64 64 ILE H H 64 7.620 7.620 7.416 0.204 19533 3674 1 9 . 1 1 65 65 ASP N N 65 118.090 118.090 120.125 -2.035 19533 3675 1 9 . 1 1 65 65 ASP HA H 65 4.220 4.220 4.313 -0.093 19533 3676 1 9 . 1 1 65 65 ASP C C 65 177.620 177.620 178.483 -0.863 19533 3677 1 9 . 1 1 65 65 ASP CA C 65 57.910 57.910 57.372 0.538 19533 3678 1 9 . 1 1 65 65 ASP CB C 65 42.150 42.150 40.050 2.100 19533 3679 1 9 . 1 1 65 65 ASP H H 65 7.790 7.790 7.847 -0.057 19533 3680 1 9 . 1 1 66 66 ALA N N 66 118.370 118.370 121.923 -3.553 19533 3681 1 9 . 1 1 66 66 ALA HA H 66 3.950 3.950 4.139 -0.189 19533 3682 1 9 . 1 1 66 66 ALA C C 66 181.140 181.140 179.635 1.505 19533 3683 1 9 . 1 1 66 66 ALA CA C 66 54.970 54.970 54.827 0.143 19533 3684 1 9 . 1 1 66 66 ALA CB C 66 18.670 18.670 18.533 0.137 19533 3685 1 9 . 1 1 66 66 ALA H H 66 7.620 7.620 7.621 -0.001 19533 3686 1 9 . 1 1 67 67 LEU N N 67 118.030 118.030 119.550 -1.520 19533 3687 1 9 . 1 1 67 67 LEU HA H 67 3.950 3.950 4.009 -0.059 19533 3688 1 9 . 1 1 67 67 LEU C C 67 178.210 178.210 178.206 0.004 19533 3689 1 9 . 1 1 67 67 LEU CA C 67 57.420 57.420 57.782 -0.362 19533 3690 1 9 . 1 1 67 67 LEU CB C 67 42.100 42.100 41.994 0.106 19533 3691 1 9 . 1 1 67 67 LEU H H 67 8.180 8.180 7.464 0.716 19533 3692 1 9 . 1 1 68 68 MET N N 68 114.280 114.280 115.893 -1.613 19533 3693 1 9 . 1 1 68 68 MET HA H 68 4.260 4.260 4.152 0.108 19533 3694 1 9 . 1 1 68 68 MET C C 68 177.050 177.050 178.497 -1.447 19533 3695 1 9 . 1 1 68 68 MET CA C 68 56.990 56.990 58.136 -1.147 19533 3696 1 9 . 1 1 68 68 MET CB C 68 32.390 32.390 32.656 -0.266 19533 3697 1 9 . 1 1 68 68 MET H H 68 7.770 7.770 7.598 0.172 19533 3698 1 9 . 1 1 69 69 ARG N N 69 115.480 115.480 117.342 -1.862 19533 3699 1 9 . 1 1 69 69 ARG HA H 69 4.410 4.410 4.246 0.164 19533 3700 1 9 . 1 1 69 69 ARG C C 69 176.480 176.480 177.148 -0.668 19533 3701 1 9 . 1 1 69 69 ARG CA C 69 55.560 55.560 57.837 -2.277 19533 3702 1 9 . 1 1 69 69 ARG CB C 69 30.970 30.970 31.019 -0.049 19533 3703 1 9 . 1 1 69 69 ARG H H 69 7.180 7.180 7.481 -0.301 19533 3704 1 9 . 1 1 70 70 ILE N N 70 119.930 119.930 119.962 -0.032 19533 3705 1 9 . 1 1 70 70 ILE HA H 70 3.930 3.930 4.118 -0.188 19533 3706 1 9 . 1 1 70 70 ILE CA C 70 62.270 62.270 60.644 1.627 19533 3707 1 9 . 1 1 70 70 ILE CB C 70 39.050 39.050 39.176 -0.126 19533 3708 1 9 . 1 1 70 70 ILE H H 70 7.070 7.070 7.658 -0.588 19533 3709 1 9 . 1 1 71 71 ASN HA H 71 4.860 4.860 4.819 0.041 19533 3710 1 9 . 1 1 71 71 ASN C C 71 174.190 174.190 175.280 -1.090 19533 3711 1 9 . 1 1 71 71 ASN CA C 71 52.330 52.330 52.163 0.167 19533 3712 1 9 . 1 1 71 71 ASN CB C 71 39.180 39.180 39.086 0.094 19533 3713 1 9 . 1 1 72 72 LEU N N 72 125.700 125.700 124.416 1.284 19533 3714 1 9 . 1 1 72 72 LEU HA H 72 4.610 4.610 4.303 0.307 19533 3715 1 9 . 1 1 72 72 LEU CA C 72 52.410 52.410 53.788 -1.379 19533 3716 1 9 . 1 1 72 72 LEU CB C 72 41.670 41.670 42.147 -0.477 19533 3717 1 9 . 1 1 72 72 LEU H H 72 8.440 8.440 8.284 0.156 19533 3718 1 9 . 1 1 73 73 PRO HA H 73 4.420 4.420 4.461 -0.041 19533 3719 1 9 . 1 1 73 73 PRO C C 73 176.110 176.110 176.128 -0.018 19533 3720 1 9 . 1 1 73 73 PRO CA C 73 62.240 62.240 62.595 -0.355 19533 3721 1 9 . 1 1 73 73 PRO CB C 73 32.450 32.450 32.264 0.186 19533 3722 1 9 . 1 1 74 74 ALA N N 74 123.290 123.290 124.469 -1.179 19533 3723 1 9 . 1 1 74 74 ALA HA H 74 4.170 4.170 4.189 -0.019 19533 3724 1 9 . 1 1 74 74 ALA C C 74 178.430 178.430 178.419 0.011 19533 3725 1 9 . 1 1 74 74 ALA CA C 74 53.550 53.550 52.830 0.720 19533 3726 1 9 . 1 1 74 74 ALA CB C 74 18.300 18.300 19.165 -0.865 19533 3727 1 9 . 1 1 74 74 ALA H H 74 8.160 8.160 8.219 -0.059 19533 3728 1 9 . 1 1 75 75 GLY N N 75 106.750 106.750 109.946 -3.196 19533 3729 1 9 . 1 1 75 75 GLY C C 75 174.140 174.140 173.536 0.604 19533 3730 1 9 . 1 1 75 75 GLY CA C 75 45.020 45.020 44.931 0.089 19533 3731 1 9 . 1 1 75 75 GLY H H 75 8.420 8.420 8.770 -0.350 19533 3732 1 9 . 1 1 76 76 VAL N N 76 120.550 120.550 119.240 1.310 19533 3733 1 9 . 1 1 76 76 VAL HA H 76 4.660 4.660 4.477 0.183 19533 3734 1 9 . 1 1 76 76 VAL C C 76 174.120 174.120 174.095 0.025 19533 3735 1 9 . 1 1 76 76 VAL CA C 76 61.070 61.070 60.634 0.436 19533 3736 1 9 . 1 1 76 76 VAL CB C 76 32.960 32.960 34.711 -1.751 19533 3737 1 9 . 1 1 76 76 VAL H H 76 7.460 7.460 7.394 0.066 19533 3738 1 9 . 1 1 77 77 ASP N N 77 128.070 128.070 125.352 2.718 19533 3739 1 9 . 1 1 77 77 ASP HA H 77 4.970 4.970 5.071 -0.101 19533 3740 1 9 . 1 1 77 77 ASP C C 77 175.020 175.020 174.514 0.506 19533 3741 1 9 . 1 1 77 77 ASP CA C 77 53.550 53.550 52.885 0.665 19533 3742 1 9 . 1 1 77 77 ASP CB C 77 43.840 43.840 44.414 -0.574 19533 3743 1 9 . 1 1 77 77 ASP H H 77 8.950 8.950 8.330 0.620 19533 3744 1 9 . 1 1 78 78 VAL N N 78 122.000 122.000 116.866 5.134 19533 3745 1 9 . 1 1 78 78 VAL HA H 78 4.850 4.850 5.103 -0.253 19533 3746 1 9 . 1 1 78 78 VAL C C 78 174.280 174.280 175.089 -0.809 19533 3747 1 9 . 1 1 78 78 VAL CA C 78 60.720 60.720 60.079 0.641 19533 3748 1 9 . 1 1 78 78 VAL CB C 78 34.600 34.600 35.145 -0.545 19533 3749 1 9 . 1 1 78 78 VAL H H 78 8.460 8.460 8.282 0.178 19533 3750 1 9 . 1 1 79 79 GLU N N 79 127.380 127.380 124.509 2.871 19533 3751 1 9 . 1 1 79 79 GLU CA C 79 54.800 54.800 55.328 -0.527 19533 3752 1 9 . 1 1 79 79 GLU CB C 79 33.610 33.610 31.378 2.232 19533 3753 1 9 . 1 1 79 79 GLU H H 79 8.820 8.820 8.465 0.355 19533 3754 1 10 . 1 1 3 3 GLY C C 3 174.400 174.400 174.359 0.041 19533 3755 1 10 . 1 1 3 3 GLY CA C 3 45.570 45.570 44.184 1.386 19533 3756 1 10 . 1 1 4 4 GLY N N 4 109.110 109.110 106.154 2.956 19533 3757 1 10 . 1 1 4 4 GLY C C 4 174.070 174.070 174.301 -0.231 19533 3758 1 10 . 1 1 4 4 GLY CA C 4 45.410 45.410 44.867 0.543 19533 3759 1 10 . 1 1 4 4 GLY H H 4 8.380 8.380 8.702 -0.322 19533 3760 1 10 . 1 1 5 5 GLN N N 5 119.810 119.810 119.688 0.122 19533 3761 1 10 . 1 1 5 5 GLN HA H 5 4.470 4.470 4.566 -0.096 19533 3762 1 10 . 1 1 5 5 GLN C C 5 174.980 174.980 174.443 0.537 19533 3763 1 10 . 1 1 5 5 GLN CA C 5 56.300 56.300 54.912 1.388 19533 3764 1 10 . 1 1 5 5 GLN CB C 5 30.080 30.080 30.838 -0.758 19533 3765 1 10 . 1 1 5 5 GLN H H 5 8.280 8.280 8.166 0.114 19533 3766 1 10 . 1 1 6 6 LYS N N 6 120.240 120.240 119.081 1.159 19533 3767 1 10 . 1 1 6 6 LYS HA H 6 5.080 5.080 5.317 -0.237 19533 3768 1 10 . 1 1 6 6 LYS C C 6 175.110 175.110 175.153 -0.043 19533 3769 1 10 . 1 1 6 6 LYS CA C 6 55.330 55.330 54.627 0.703 19533 3770 1 10 . 1 1 6 6 LYS CB C 6 35.450 35.450 35.637 -0.187 19533 3771 1 10 . 1 1 6 6 LYS H H 6 8.080 8.080 8.315 -0.235 19533 3772 1 10 . 1 1 7 7 ILE N N 7 120.690 120.690 123.163 -2.473 19533 3773 1 10 . 1 1 7 7 ILE HA H 7 4.540 4.540 4.388 0.152 19533 3774 1 10 . 1 1 7 7 ILE C C 7 173.880 173.880 175.001 -1.121 19533 3775 1 10 . 1 1 7 7 ILE CA C 7 60.520 60.520 60.119 0.401 19533 3776 1 10 . 1 1 7 7 ILE CB C 7 40.830 40.830 41.049 -0.219 19533 3777 1 10 . 1 1 7 7 ILE H H 7 8.770 8.770 8.580 0.190 19533 3778 1 10 . 1 1 8 8 ARG N N 8 127.060 127.060 124.993 2.067 19533 3779 1 10 . 1 1 8 8 ARG HA H 8 5.330 5.330 5.250 0.080 19533 3780 1 10 . 1 1 8 8 ARG C C 8 174.690 174.690 175.343 -0.653 19533 3781 1 10 . 1 1 8 8 ARG CA C 8 55.070 55.070 54.775 0.295 19533 3782 1 10 . 1 1 8 8 ARG CB C 8 32.370 32.370 32.989 -0.619 19533 3783 1 10 . 1 1 8 8 ARG H H 8 8.480 8.480 8.504 -0.024 19533 3784 1 10 . 1 1 9 9 ILE N N 9 127.670 127.670 124.664 3.006 19533 3785 1 10 . 1 1 9 9 ILE HA H 9 4.800 4.800 4.439 0.361 19533 3786 1 10 . 1 1 9 9 ILE C C 9 174.380 174.380 174.817 -0.437 19533 3787 1 10 . 1 1 9 9 ILE CA C 9 60.240 60.240 60.190 0.051 19533 3788 1 10 . 1 1 9 9 ILE CB C 9 39.860 39.860 41.742 -1.882 19533 3789 1 10 . 1 1 9 9 ILE H H 9 9.540 9.540 8.681 0.859 19533 3790 1 10 . 1 1 10 10 LYS N N 10 127.240 127.240 126.398 0.842 19533 3791 1 10 . 1 1 10 10 LYS HA H 10 5.220 5.220 5.365 -0.145 19533 3792 1 10 . 1 1 10 10 LYS C C 10 175.130 175.130 175.685 -0.555 19533 3793 1 10 . 1 1 10 10 LYS CA C 10 54.760 54.760 55.011 -0.251 19533 3794 1 10 . 1 1 10 10 LYS CB C 10 34.940 34.940 34.661 0.279 19533 3795 1 10 . 1 1 10 10 LYS H H 10 9.050 9.050 8.574 0.476 19533 3796 1 10 . 1 1 11 11 LEU N N 11 124.480 124.480 124.276 0.204 19533 3797 1 10 . 1 1 11 11 LEU HA H 11 5.450 5.450 5.267 0.183 19533 3798 1 10 . 1 1 11 11 LEU C C 11 176.000 176.000 176.069 -0.069 19533 3799 1 10 . 1 1 11 11 LEU CA C 11 53.320 53.320 53.745 -0.425 19533 3800 1 10 . 1 1 11 11 LEU CB C 11 46.960 46.960 43.809 3.151 19533 3801 1 10 . 1 1 11 11 LEU H H 11 8.790 8.790 8.383 0.407 19533 3802 1 10 . 1 1 12 12 LYS N N 12 119.690 119.690 121.186 -1.496 19533 3803 1 10 . 1 1 12 12 LYS HA H 12 5.570 5.570 5.518 0.052 19533 3804 1 10 . 1 1 12 12 LYS C C 12 174.610 174.610 175.215 -0.605 19533 3805 1 10 . 1 1 12 12 LYS CA C 12 54.600 54.600 54.664 -0.064 19533 3806 1 10 . 1 1 12 12 LYS CB C 12 36.480 36.480 36.158 0.322 19533 3807 1 10 . 1 1 12 12 LYS H H 12 8.550 8.550 8.412 0.139 19533 3808 1 10 . 1 1 13 13 ALA N N 13 120.780 120.780 126.008 -5.228 19533 3809 1 10 . 1 1 13 13 ALA HA H 13 4.720 4.720 5.096 -0.376 19533 3810 1 10 . 1 1 13 13 ALA C C 13 176.120 176.120 176.235 -0.115 19533 3811 1 10 . 1 1 13 13 ALA CA C 13 52.230 52.230 51.706 0.523 19533 3812 1 10 . 1 1 13 13 ALA CB C 13 24.780 24.780 22.134 2.646 19533 3813 1 10 . 1 1 13 13 ALA H H 13 8.740 8.740 8.153 0.587 19533 3814 1 10 . 1 1 14 14 TYR N N 14 117.810 117.810 123.407 -5.597 19533 3815 1 10 . 1 1 14 14 TYR HA H 14 4.920 4.920 4.309 0.611 19533 3816 1 10 . 1 1 14 14 TYR C C 14 175.960 175.960 175.337 0.623 19533 3817 1 10 . 1 1 14 14 TYR CA C 14 59.790 59.790 61.536 -1.746 19533 3818 1 10 . 1 1 14 14 TYR CB C 14 38.840 38.840 39.116 -0.276 19533 3819 1 10 . 1 1 14 14 TYR H H 14 8.670 8.670 8.697 -0.027 19533 3820 1 10 . 1 1 15 15 ASP N N 15 118.650 118.650 115.843 2.807 19533 3821 1 10 . 1 1 15 15 ASP HA H 15 4.890 4.890 4.767 0.123 19533 3822 1 10 . 1 1 15 15 ASP C C 15 175.980 175.980 176.691 -0.711 19533 3823 1 10 . 1 1 15 15 ASP CA C 15 52.830 52.830 54.388 -1.558 19533 3824 1 10 . 1 1 15 15 ASP CB C 15 42.420 42.420 41.298 1.122 19533 3825 1 10 . 1 1 15 15 ASP H H 15 7.390 7.390 7.932 -0.542 19533 3826 1 10 . 1 1 16 16 HIS N N 16 124.080 124.080 125.674 -1.594 19533 3827 1 10 . 1 1 16 16 HIS HA H 16 3.830 3.830 4.092 -0.262 19533 3828 1 10 . 1 1 16 16 HIS C C 16 176.000 176.000 176.337 -0.337 19533 3829 1 10 . 1 1 16 16 HIS CA C 16 59.190 59.190 59.999 -0.809 19533 3830 1 10 . 1 1 16 16 HIS CB C 16 29.030 29.030 30.504 -1.474 19533 3831 1 10 . 1 1 16 16 HIS H H 16 8.190 8.190 8.653 -0.463 19533 3832 1 10 . 1 1 17 17 GLU N N 17 121.830 121.830 120.579 1.251 19533 3833 1 10 . 1 1 17 17 GLU HA H 17 4.040 4.040 4.001 0.039 19533 3834 1 10 . 1 1 17 17 GLU C C 17 179.540 179.540 178.887 0.653 19533 3835 1 10 . 1 1 17 17 GLU CA C 17 59.520 59.520 59.248 0.272 19533 3836 1 10 . 1 1 17 17 GLU CB C 17 29.020 29.020 28.674 0.346 19533 3837 1 10 . 1 1 17 17 GLU H H 17 7.740 7.740 8.710 -0.970 19533 3838 1 10 . 1 1 18 18 LEU N N 18 121.120 121.120 118.535 2.585 19533 3839 1 10 . 1 1 18 18 LEU HA H 18 4.030 4.030 4.071 -0.041 19533 3840 1 10 . 1 1 18 18 LEU C C 18 180.600 180.600 179.178 1.422 19533 3841 1 10 . 1 1 18 18 LEU CA C 18 57.050 57.050 57.273 -0.223 19533 3842 1 10 . 1 1 18 18 LEU CB C 18 42.390 42.390 41.555 0.835 19533 3843 1 10 . 1 1 18 18 LEU H H 18 7.510 7.510 8.061 -0.551 19533 3844 1 10 . 1 1 19 19 LEU N N 19 121.190 121.190 121.017 0.173 19533 3845 1 10 . 1 1 19 19 LEU HA H 19 3.750 3.750 3.842 -0.092 19533 3846 1 10 . 1 1 19 19 LEU C C 19 177.580 177.580 178.001 -0.421 19533 3847 1 10 . 1 1 19 19 LEU CA C 19 57.950 57.950 58.042 -0.092 19533 3848 1 10 . 1 1 19 19 LEU CB C 19 42.100 42.100 41.787 0.313 19533 3849 1 10 . 1 1 19 19 LEU H H 19 7.780 7.780 7.474 0.306 19533 3850 1 10 . 1 1 20 20 ASP N N 20 119.750 119.750 119.259 0.491 19533 3851 1 10 . 1 1 20 20 ASP HA H 20 4.490 4.490 4.143 0.347 19533 3852 1 10 . 1 1 20 20 ASP C C 20 179.450 179.450 177.949 1.501 19533 3853 1 10 . 1 1 20 20 ASP CA C 20 58.070 58.070 57.403 0.667 19533 3854 1 10 . 1 1 20 20 ASP CB C 20 40.130 40.130 40.425 -0.295 19533 3855 1 10 . 1 1 20 20 ASP H H 20 8.150 8.150 7.999 0.151 19533 3856 1 10 . 1 1 21 21 GLU N N 21 120.710 120.710 119.760 0.950 19533 3857 1 10 . 1 1 21 21 GLU HA H 21 4.080 4.080 3.984 0.096 19533 3858 1 10 . 1 1 21 21 GLU C C 21 179.370 179.370 178.915 0.455 19533 3859 1 10 . 1 1 21 21 GLU CA C 21 59.210 59.210 59.684 -0.474 19533 3860 1 10 . 1 1 21 21 GLU CB C 21 29.650 29.650 29.649 0.001 19533 3861 1 10 . 1 1 21 21 GLU H H 21 8.050 8.050 7.720 0.330 19533 3862 1 10 . 1 1 22 22 SER N N 22 116.150 116.150 116.643 -0.493 19533 3863 1 10 . 1 1 22 22 SER HA H 22 4.090 4.090 4.119 -0.029 19533 3864 1 10 . 1 1 22 22 SER C C 22 175.000 175.000 176.721 -1.721 19533 3865 1 10 . 1 1 22 22 SER CA C 22 62.900 62.900 62.014 0.886 19533 3866 1 10 . 1 1 22 22 SER CB C 22 62.900 62.900 62.922 -0.022 19533 3867 1 10 . 1 1 22 22 SER H H 22 7.950 7.950 7.918 0.032 19533 3868 1 10 . 1 1 23 23 ALA N N 23 123.240 123.240 123.944 -0.704 19533 3869 1 10 . 1 1 23 23 ALA HA H 23 3.760 3.760 4.113 -0.353 19533 3870 1 10 . 1 1 23 23 ALA C C 23 178.540 178.540 179.106 -0.566 19533 3871 1 10 . 1 1 23 23 ALA CA C 23 55.190 55.190 55.079 0.111 19533 3872 1 10 . 1 1 23 23 ALA CB C 23 17.870 17.870 18.279 -0.409 19533 3873 1 10 . 1 1 23 23 ALA H H 23 8.560 8.560 8.460 0.100 19533 3874 1 10 . 1 1 24 24 LYS N N 24 116.780 116.780 119.040 -2.260 19533 3875 1 10 . 1 1 24 24 LYS HA H 24 3.840 3.840 3.917 -0.077 19533 3876 1 10 . 1 1 24 24 LYS C C 24 178.720 178.720 178.355 0.365 19533 3877 1 10 . 1 1 24 24 LYS CA C 24 59.940 59.940 59.692 0.248 19533 3878 1 10 . 1 1 24 24 LYS CB C 24 32.250 32.250 32.289 -0.039 19533 3879 1 10 . 1 1 24 24 LYS H H 24 7.750 7.750 8.315 -0.565 19533 3880 1 10 . 1 1 25 25 LYS N N 25 118.950 118.950 119.961 -1.011 19533 3881 1 10 . 1 1 25 25 LYS HA H 25 4.040 4.040 4.023 0.017 19533 3882 1 10 . 1 1 25 25 LYS C C 25 178.720 178.720 179.087 -0.367 19533 3883 1 10 . 1 1 25 25 LYS CA C 25 59.000 59.000 59.643 -0.643 19533 3884 1 10 . 1 1 25 25 LYS CB C 25 32.120 32.120 32.398 -0.278 19533 3885 1 10 . 1 1 25 25 LYS H H 25 7.580 7.580 8.047 -0.467 19533 3886 1 10 . 1 1 26 26 ILE N N 26 118.310 118.310 119.625 -1.315 19533 3887 1 10 . 1 1 26 26 ILE HA H 26 3.470 3.470 3.816 -0.346 19533 3888 1 10 . 1 1 26 26 ILE CA C 26 65.060 65.060 63.475 1.585 19533 3889 1 10 . 1 1 26 26 ILE CB C 26 36.720 36.720 36.787 -0.067 19533 3890 1 10 . 1 1 26 26 ILE H H 26 7.610 7.610 7.838 -0.228 19533 3891 1 10 . 1 1 27 27 VAL N N 27 118.900 118.900 121.307 -2.407 19533 3892 1 10 . 1 1 27 27 VAL HA H 27 3.390 3.390 3.508 -0.118 19533 3893 1 10 . 1 1 27 27 VAL C C 27 177.550 177.550 178.420 -0.870 19533 3894 1 10 . 1 1 27 27 VAL CA C 27 67.630 67.630 67.640 -0.010 19533 3895 1 10 . 1 1 27 27 VAL CB C 27 31.420 31.420 31.036 0.384 19533 3896 1 10 . 1 1 27 27 VAL H H 27 7.950 7.950 8.547 -0.597 19533 3897 1 10 . 1 1 28 28 GLU N N 28 118.800 118.800 119.721 -0.921 19533 3898 1 10 . 1 1 28 28 GLU HA H 28 3.980 3.980 4.043 -0.063 19533 3899 1 10 . 1 1 28 28 GLU C C 28 180.130 180.130 179.427 0.703 19533 3900 1 10 . 1 1 28 28 GLU CA C 28 59.740 59.740 59.474 0.267 19533 3901 1 10 . 1 1 28 28 GLU CB C 28 29.380 29.380 29.191 0.189 19533 3902 1 10 . 1 1 28 28 GLU H H 28 8.180 8.180 8.397 -0.217 19533 3903 1 10 . 1 1 29 29 VAL N N 29 120.730 120.730 119.511 1.219 19533 3904 1 10 . 1 1 29 29 VAL HA H 29 3.710 3.710 3.829 -0.119 19533 3905 1 10 . 1 1 29 29 VAL C C 29 179.240 179.240 178.502 0.738 19533 3906 1 10 . 1 1 29 29 VAL CA C 29 66.290 66.290 65.306 0.983 19533 3907 1 10 . 1 1 29 29 VAL CB C 29 31.420 31.420 30.860 0.560 19533 3908 1 10 . 1 1 29 29 VAL H H 29 8.120 8.120 7.879 0.241 19533 3909 1 10 . 1 1 30 30 ALA N N 30 123.770 123.770 123.286 0.484 19533 3910 1 10 . 1 1 30 30 ALA HA H 30 3.880 3.880 3.994 -0.114 19533 3911 1 10 . 1 1 30 30 ALA C C 30 179.630 179.630 180.048 -0.418 19533 3912 1 10 . 1 1 30 30 ALA CA C 30 55.560 55.560 55.292 0.268 19533 3913 1 10 . 1 1 30 30 ALA CB C 30 18.000 18.000 18.572 -0.572 19533 3914 1 10 . 1 1 30 30 ALA H H 30 8.310 8.310 8.772 -0.462 19533 3915 1 10 . 1 1 31 31 LYS N N 31 118.260 118.260 117.952 0.308 19533 3916 1 10 . 1 1 31 31 LYS HA H 31 4.200 4.200 4.035 0.165 19533 3917 1 10 . 1 1 31 31 LYS C C 31 180.710 180.710 178.275 2.435 19533 3918 1 10 . 1 1 31 31 LYS CA C 31 59.910 59.910 58.914 0.995 19533 3919 1 10 . 1 1 31 31 LYS CB C 31 32.270 32.270 32.394 -0.124 19533 3920 1 10 . 1 1 31 31 LYS H H 31 8.710 8.710 8.355 0.355 19533 3921 1 10 . 1 1 32 32 SER N N 32 115.760 115.760 111.543 4.217 19533 3922 1 10 . 1 1 32 32 SER HA H 32 4.380 4.380 4.247 0.133 19533 3923 1 10 . 1 1 32 32 SER C C 32 175.120 175.120 175.081 0.039 19533 3924 1 10 . 1 1 32 32 SER CA C 32 61.300 61.300 60.361 0.939 19533 3925 1 10 . 1 1 32 32 SER CB C 32 63.220 63.220 63.265 -0.045 19533 3926 1 10 . 1 1 32 32 SER H H 32 8.310 8.310 7.749 0.561 19533 3927 1 10 . 1 1 33 33 THR N N 33 108.990 108.990 113.648 -4.658 19533 3928 1 10 . 1 1 33 33 THR HA H 33 4.490 4.490 4.395 0.095 19533 3929 1 10 . 1 1 33 33 THR C C 33 173.390 173.390 175.345 -1.955 19533 3930 1 10 . 1 1 33 33 THR CA C 33 60.910 60.910 61.357 -0.447 19533 3931 1 10 . 1 1 33 33 THR CB C 33 68.860 68.860 70.697 -1.837 19533 3932 1 10 . 1 1 33 33 THR H H 33 7.330 7.330 7.529 -0.199 19533 3933 1 10 . 1 1 34 34 ASN N N 34 115.250 115.250 118.560 -3.310 19533 3934 1 10 . 1 1 34 34 ASN HA H 34 4.450 4.450 4.467 -0.017 19533 3935 1 10 . 1 1 34 34 ASN C C 34 174.490 174.490 176.417 -1.927 19533 3936 1 10 . 1 1 34 34 ASN CA C 34 54.800 54.800 54.946 -0.146 19533 3937 1 10 . 1 1 34 34 ASN CB C 34 37.160 37.160 38.111 -0.951 19533 3938 1 10 . 1 1 34 34 ASN H H 34 7.910 7.910 8.769 -0.859 19533 3939 1 10 . 1 1 35 35 SER N N 35 113.160 113.160 115.968 -2.808 19533 3940 1 10 . 1 1 35 35 SER HA H 35 4.830 4.830 4.598 0.232 19533 3941 1 10 . 1 1 35 35 SER C C 35 173.250 173.250 174.235 -0.985 19533 3942 1 10 . 1 1 35 35 SER CA C 35 58.550 58.550 59.037 -0.487 19533 3943 1 10 . 1 1 35 35 SER CB C 35 64.910 64.910 64.178 0.732 19533 3944 1 10 . 1 1 35 35 SER H H 35 7.800 7.800 7.587 0.213 19533 3945 1 10 . 1 1 36 36 LYS N N 36 123.770 123.770 121.107 2.663 19533 3946 1 10 . 1 1 36 36 LYS HA H 36 4.420 4.420 4.688 -0.268 19533 3947 1 10 . 1 1 36 36 LYS C C 36 175.270 175.270 175.131 0.139 19533 3948 1 10 . 1 1 36 36 LYS CA C 36 56.290 56.290 54.073 2.217 19533 3949 1 10 . 1 1 36 36 LYS CB C 36 33.390 33.390 35.269 -1.879 19533 3950 1 10 . 1 1 36 36 LYS H H 36 8.390 8.390 8.653 -0.263 19533 3951 1 10 . 1 1 37 37 VAL N N 37 119.710 119.710 122.678 -2.968 19533 3952 1 10 . 1 1 37 37 VAL HA H 37 5.010 5.010 4.816 0.194 19533 3953 1 10 . 1 1 37 37 VAL C C 37 175.120 175.120 175.047 0.073 19533 3954 1 10 . 1 1 37 37 VAL CA C 37 59.800 59.800 60.086 -0.286 19533 3955 1 10 . 1 1 37 37 VAL CB C 37 35.260 35.260 34.540 0.720 19533 3956 1 10 . 1 1 37 37 VAL H H 37 8.130 8.130 8.506 -0.376 19533 3957 1 10 . 1 1 38 38 SER N N 38 121.650 121.650 118.992 2.658 19533 3958 1 10 . 1 1 38 38 SER HA H 38 4.810 4.810 4.883 -0.073 19533 3959 1 10 . 1 1 38 38 SER C C 38 173.290 173.290 173.343 -0.053 19533 3960 1 10 . 1 1 38 38 SER CA C 38 56.930 56.930 56.397 0.534 19533 3961 1 10 . 1 1 38 38 SER CB C 38 64.420 64.420 64.283 0.137 19533 3962 1 10 . 1 1 38 38 SER H H 38 9.060 9.060 9.076 -0.016 19533 3963 1 10 . 1 1 39 39 GLY N N 39 112.740 112.740 113.127 -0.387 19533 3964 1 10 . 1 1 39 39 GLY CA C 39 43.180 43.180 44.511 -1.331 19533 3965 1 10 . 1 1 39 39 GLY H H 39 8.430 8.430 8.446 -0.016 19533 3966 1 10 . 1 1 40 40 PRO HA H 40 4.760 4.760 4.467 0.293 19533 3967 1 10 . 1 1 40 40 PRO C C 40 175.760 175.760 176.187 -0.427 19533 3968 1 10 . 1 1 40 40 PRO CA C 40 61.350 61.350 62.828 -1.478 19533 3969 1 10 . 1 1 40 40 PRO CB C 40 34.780 34.780 32.346 2.433 19533 3970 1 10 . 1 1 41 41 ILE N N 41 125.440 125.440 123.163 2.277 19533 3971 1 10 . 1 1 41 41 ILE HA H 41 4.750 4.750 4.455 0.295 19533 3972 1 10 . 1 1 41 41 ILE CA C 41 57.700 57.700 58.586 -0.886 19533 3973 1 10 . 1 1 41 41 ILE CB C 41 40.570 40.570 38.515 2.055 19533 3974 1 10 . 1 1 41 41 ILE H H 41 9.560 9.560 8.979 0.581 19533 3975 1 10 . 1 1 42 42 PRO HA H 42 4.820 4.820 4.573 0.247 19533 3976 1 10 . 1 1 42 42 PRO C C 42 175.600 175.600 175.839 -0.239 19533 3977 1 10 . 1 1 42 42 PRO CA C 42 62.720 62.720 62.995 -0.275 19533 3978 1 10 . 1 1 42 42 PRO CB C 42 31.740 31.740 32.253 -0.513 19533 3979 1 10 . 1 1 43 43 LEU N N 43 123.010 123.010 125.100 -2.090 19533 3980 1 10 . 1 1 43 43 LEU HA H 43 4.830 4.830 4.869 -0.039 19533 3981 1 10 . 1 1 43 43 LEU CA C 43 51.960 51.960 51.660 0.300 19533 3982 1 10 . 1 1 43 43 LEU CB C 43 42.460 42.460 43.395 -0.936 19533 3983 1 10 . 1 1 43 43 LEU H H 43 7.230 7.230 8.090 -0.860 19533 3984 1 10 . 1 1 44 44 PRO HA H 44 4.370 4.370 4.501 -0.131 19533 3985 1 10 . 1 1 44 44 PRO C C 44 176.620 176.620 175.909 0.711 19533 3986 1 10 . 1 1 44 44 PRO CA C 44 63.660 63.660 63.016 0.644 19533 3987 1 10 . 1 1 44 44 PRO CB C 44 31.780 31.780 32.086 -0.306 19533 3988 1 10 . 1 1 45 45 THR N N 45 121.280 121.280 117.123 4.157 19533 3989 1 10 . 1 1 45 45 THR HA H 45 4.380 4.380 4.335 0.045 19533 3990 1 10 . 1 1 45 45 THR CA C 45 63.240 63.240 62.166 1.074 19533 3991 1 10 . 1 1 45 45 THR CB C 45 69.520 69.520 70.259 -0.739 19533 3992 1 10 . 1 1 45 45 THR H H 45 8.360 8.360 8.136 0.224 19533 3993 1 10 . 1 1 46 46 GLU C C 46 176.830 176.830 176.500 0.330 19533 3994 1 10 . 1 1 46 46 GLU CB C 46 24.950 24.950 31.418 -6.468 19533 3995 1 10 . 1 1 47 47 SER N N 47 121.430 121.430 121.831 -0.401 19533 3996 1 10 . 1 1 47 47 SER HA H 47 4.910 4.910 4.024 0.886 19533 3997 1 10 . 1 1 47 47 SER CA C 47 55.810 55.810 60.909 -5.099 19533 3998 1 10 . 1 1 47 47 SER CB C 47 64.100 64.100 62.594 1.506 19533 3999 1 10 . 1 1 47 47 SER H H 47 7.820 7.820 9.211 -1.391 19533 4000 1 10 . 1 1 48 48 ARG HA H 48 3.650 3.650 4.298 -0.648 19533 4001 1 10 . 1 1 48 48 ARG C C 48 173.650 173.650 174.009 -0.359 19533 4002 1 10 . 1 1 48 48 ARG CA C 48 58.000 58.000 55.316 2.684 19533 4003 1 10 . 1 1 48 48 ARG CB C 48 28.170 28.170 32.002 -3.832 19533 4004 1 10 . 1 1 49 49 VAL N N 49 119.480 119.480 119.783 -0.303 19533 4005 1 10 . 1 1 49 49 VAL HA H 49 3.530 3.530 4.253 -0.723 19533 4006 1 10 . 1 1 49 49 VAL C C 49 174.680 174.680 174.295 0.385 19533 4007 1 10 . 1 1 49 49 VAL CA C 49 62.880 62.880 60.808 2.072 19533 4008 1 10 . 1 1 49 49 VAL CB C 49 32.030 32.030 34.215 -2.186 19533 4009 1 10 . 1 1 49 49 VAL H H 49 7.700 7.700 8.360 -0.660 19533 4010 1 10 . 1 1 50 50 HIS N N 50 128.530 128.530 125.839 2.691 19533 4011 1 10 . 1 1 50 50 HIS HA H 50 4.720 4.720 4.899 -0.178 19533 4012 1 10 . 1 1 50 50 HIS C C 50 175.470 175.470 173.981 1.489 19533 4013 1 10 . 1 1 50 50 HIS CA C 50 55.380 55.380 55.438 -0.058 19533 4014 1 10 . 1 1 50 50 HIS CB C 50 32.950 32.950 32.351 0.599 19533 4015 1 10 . 1 1 50 50 HIS H H 50 8.350 8.350 8.260 0.090 19533 4016 1 10 . 1 1 51 51 LYS N N 51 117.460 117.460 119.683 -2.223 19533 4017 1 10 . 1 1 51 51 LYS HA H 51 5.770 5.770 5.709 0.061 19533 4018 1 10 . 1 1 51 51 LYS C C 51 177.900 177.900 175.485 2.415 19533 4019 1 10 . 1 1 51 51 LYS CA C 51 55.210 55.210 55.174 0.036 19533 4020 1 10 . 1 1 51 51 LYS CB C 51 39.360 39.360 36.452 2.908 19533 4021 1 10 . 1 1 51 51 LYS H H 51 8.940 8.940 8.738 0.202 19533 4022 1 10 . 1 1 52 52 ARG N N 52 120.830 120.830 120.516 0.314 19533 4023 1 10 . 1 1 52 52 ARG HA H 52 5.240 5.240 5.103 0.137 19533 4024 1 10 . 1 1 52 52 ARG C C 52 173.860 173.860 174.219 -0.359 19533 4025 1 10 . 1 1 52 52 ARG CA C 52 53.070 53.070 54.714 -1.644 19533 4026 1 10 . 1 1 52 52 ARG CB C 52 34.830 34.830 34.645 0.185 19533 4027 1 10 . 1 1 52 52 ARG H H 52 8.990 8.990 8.421 0.569 19533 4028 1 10 . 1 1 53 53 LEU N N 53 122.250 122.250 122.965 -0.715 19533 4029 1 10 . 1 1 53 53 LEU HA H 53 5.440 5.440 5.059 0.381 19533 4030 1 10 . 1 1 53 53 LEU C C 53 176.140 176.140 174.689 1.451 19533 4031 1 10 . 1 1 53 53 LEU CA C 53 53.800 53.800 53.839 -0.039 19533 4032 1 10 . 1 1 53 53 LEU CB C 53 46.410 46.410 46.128 0.282 19533 4033 1 10 . 1 1 53 53 LEU H H 53 8.880 8.880 9.175 -0.295 19533 4034 1 10 . 1 1 54 54 ILE N N 54 124.790 124.790 127.555 -2.765 19533 4035 1 10 . 1 1 54 54 ILE HA H 54 4.420 4.420 4.600 -0.180 19533 4036 1 10 . 1 1 54 54 ILE C C 54 173.160 173.160 174.608 -1.448 19533 4037 1 10 . 1 1 54 54 ILE CA C 54 61.420 61.420 60.229 1.191 19533 4038 1 10 . 1 1 54 54 ILE CB C 54 43.480 43.480 40.105 3.375 19533 4039 1 10 . 1 1 54 54 ILE H H 54 9.280 9.280 8.992 0.288 19533 4040 1 10 . 1 1 55 55 ASP N N 55 126.260 126.260 128.261 -2.001 19533 4041 1 10 . 1 1 55 55 ASP HA H 55 5.800 5.800 5.171 0.629 19533 4042 1 10 . 1 1 55 55 ASP C C 55 175.300 175.300 175.386 -0.086 19533 4043 1 10 . 1 1 55 55 ASP CA C 55 53.120 53.120 53.276 -0.156 19533 4044 1 10 . 1 1 55 55 ASP CB C 55 43.530 43.530 42.740 0.789 19533 4045 1 10 . 1 1 55 55 ASP H H 55 8.560 8.560 8.520 0.040 19533 4046 1 10 . 1 1 56 56 ILE N N 56 122.260 122.260 121.725 0.535 19533 4047 1 10 . 1 1 56 56 ILE HA H 56 4.620 4.620 4.729 -0.109 19533 4048 1 10 . 1 1 56 56 ILE C C 56 174.610 174.610 175.381 -0.771 19533 4049 1 10 . 1 1 56 56 ILE CA C 56 60.160 60.160 60.316 -0.156 19533 4050 1 10 . 1 1 56 56 ILE CB C 56 38.520 38.520 40.739 -2.219 19533 4051 1 10 . 1 1 56 56 ILE H H 56 9.100 9.100 8.662 0.438 19533 4052 1 10 . 1 1 57 57 ILE N N 57 128.860 128.860 127.462 1.398 19533 4053 1 10 . 1 1 57 57 ILE HA H 57 4.200 4.200 4.436 -0.236 19533 4054 1 10 . 1 1 57 57 ILE C C 57 174.350 174.350 175.496 -1.146 19533 4055 1 10 . 1 1 57 57 ILE CA C 57 60.810 60.810 60.100 0.710 19533 4056 1 10 . 1 1 57 57 ILE CB C 57 39.300 39.300 40.935 -1.635 19533 4057 1 10 . 1 1 57 57 ILE H H 57 8.480 8.480 9.241 -0.761 19533 4058 1 10 . 1 1 58 58 ASP N N 58 122.140 122.140 122.938 -0.798 19533 4059 1 10 . 1 1 58 58 ASP HA H 58 4.450 4.450 4.407 0.043 19533 4060 1 10 . 1 1 58 58 ASP CA C 58 55.110 55.110 54.623 0.487 19533 4061 1 10 . 1 1 58 58 ASP CB C 58 39.500 39.500 40.552 -1.052 19533 4062 1 10 . 1 1 58 58 ASP H H 58 8.760 8.760 8.284 0.476 19533 4063 1 10 . 1 1 59 59 PRO HA H 59 4.430 4.430 4.411 0.019 19533 4064 1 10 . 1 1 59 59 PRO C C 59 176.690 176.690 176.285 0.405 19533 4065 1 10 . 1 1 59 59 PRO CA C 59 62.260 62.260 62.922 -0.662 19533 4066 1 10 . 1 1 59 59 PRO CB C 59 31.590 31.590 32.510 -0.920 19533 4067 1 10 . 1 1 60 60 SER N N 60 117.890 117.890 117.475 0.415 19533 4068 1 10 . 1 1 60 60 SER HA H 60 4.920 4.920 5.040 -0.120 19533 4069 1 10 . 1 1 60 60 SER CA C 60 56.020 56.020 55.526 0.494 19533 4070 1 10 . 1 1 60 60 SER CB C 60 64.140 64.140 64.626 -0.486 19533 4071 1 10 . 1 1 60 60 SER H H 60 8.050 8.050 7.817 0.233 19533 4072 1 10 . 1 1 61 61 PRO HA H 61 4.240 4.240 4.368 -0.128 19533 4073 1 10 . 1 1 61 61 PRO CA C 61 66.000 66.000 64.760 1.240 19533 4074 1 10 . 1 1 61 61 PRO CB C 61 32.100 32.100 31.842 0.258 19533 4075 1 10 . 1 1 62 62 LYS HA H 62 4.150 4.150 4.164 -0.014 19533 4076 1 10 . 1 1 62 62 LYS C C 62 179.040 179.040 178.827 0.213 19533 4077 1 10 . 1 1 62 62 LYS CA C 62 58.690 58.690 59.505 -0.815 19533 4078 1 10 . 1 1 62 62 LYS CB C 62 32.330 32.330 31.915 0.415 19533 4079 1 10 . 1 1 63 63 THR N N 63 118.760 118.760 116.613 2.147 19533 4080 1 10 . 1 1 63 63 THR HA H 63 3.880 3.880 4.112 -0.232 19533 4081 1 10 . 1 1 63 63 THR C C 63 175.480 175.480 176.005 -0.525 19533 4082 1 10 . 1 1 63 63 THR CA C 63 66.680 66.680 67.276 -0.596 19533 4083 1 10 . 1 1 63 63 THR CB C 63 68.380 68.380 68.701 -0.321 19533 4084 1 10 . 1 1 63 63 THR H H 63 7.940 7.940 7.466 0.474 19533 4085 1 10 . 1 1 64 64 ILE N N 64 119.800 119.800 121.924 -2.124 19533 4086 1 10 . 1 1 64 64 ILE HA H 64 3.460 3.460 3.588 -0.128 19533 4087 1 10 . 1 1 64 64 ILE C C 64 176.830 176.830 177.352 -0.522 19533 4088 1 10 . 1 1 64 64 ILE CA C 64 65.180 65.180 65.390 -0.210 19533 4089 1 10 . 1 1 64 64 ILE CB C 64 36.720 36.720 37.556 -0.836 19533 4090 1 10 . 1 1 64 64 ILE H H 64 7.620 7.620 7.446 0.174 19533 4091 1 10 . 1 1 65 65 ASP N N 65 118.090 118.090 119.999 -1.909 19533 4092 1 10 . 1 1 65 65 ASP HA H 65 4.220 4.220 4.327 -0.107 19533 4093 1 10 . 1 1 65 65 ASP C C 65 177.620 177.620 178.538 -0.918 19533 4094 1 10 . 1 1 65 65 ASP CA C 65 57.910 57.910 57.367 0.543 19533 4095 1 10 . 1 1 65 65 ASP CB C 65 42.150 42.150 40.050 2.100 19533 4096 1 10 . 1 1 65 65 ASP H H 65 7.790 7.790 7.835 -0.045 19533 4097 1 10 . 1 1 66 66 ALA N N 66 118.370 118.370 122.180 -3.810 19533 4098 1 10 . 1 1 66 66 ALA HA H 66 3.950 3.950 4.135 -0.185 19533 4099 1 10 . 1 1 66 66 ALA C C 66 181.140 181.140 179.725 1.415 19533 4100 1 10 . 1 1 66 66 ALA CA C 66 54.970 54.970 54.858 0.112 19533 4101 1 10 . 1 1 66 66 ALA CB C 66 18.670 18.670 18.564 0.106 19533 4102 1 10 . 1 1 66 66 ALA H H 66 7.620 7.620 7.615 0.005 19533 4103 1 10 . 1 1 67 67 LEU N N 67 118.030 118.030 119.785 -1.755 19533 4104 1 10 . 1 1 67 67 LEU HA H 67 3.950 3.950 4.031 -0.081 19533 4105 1 10 . 1 1 67 67 LEU C C 67 178.210 178.210 178.328 -0.118 19533 4106 1 10 . 1 1 67 67 LEU CA C 67 57.420 57.420 57.688 -0.268 19533 4107 1 10 . 1 1 67 67 LEU CB C 67 42.100 42.100 41.840 0.260 19533 4108 1 10 . 1 1 67 67 LEU H H 67 8.180 8.180 7.810 0.370 19533 4109 1 10 . 1 1 68 68 MET N N 68 114.280 114.280 116.114 -1.834 19533 4110 1 10 . 1 1 68 68 MET HA H 68 4.260 4.260 4.151 0.109 19533 4111 1 10 . 1 1 68 68 MET C C 68 177.050 177.050 178.492 -1.442 19533 4112 1 10 . 1 1 68 68 MET CA C 68 56.990 56.990 58.093 -1.103 19533 4113 1 10 . 1 1 68 68 MET CB C 68 32.390 32.390 32.601 -0.211 19533 4114 1 10 . 1 1 68 68 MET H H 68 7.770 7.770 7.803 -0.033 19533 4115 1 10 . 1 1 69 69 ARG N N 69 115.480 115.480 117.433 -1.953 19533 4116 1 10 . 1 1 69 69 ARG HA H 69 4.410 4.410 4.256 0.154 19533 4117 1 10 . 1 1 69 69 ARG C C 69 176.480 176.480 177.042 -0.562 19533 4118 1 10 . 1 1 69 69 ARG CA C 69 55.560 55.560 57.838 -2.278 19533 4119 1 10 . 1 1 69 69 ARG CB C 69 30.970 30.970 31.084 -0.114 19533 4120 1 10 . 1 1 69 69 ARG H H 69 7.180 7.180 7.497 -0.317 19533 4121 1 10 . 1 1 70 70 ILE N N 70 119.930 119.930 119.442 0.488 19533 4122 1 10 . 1 1 70 70 ILE HA H 70 3.930 3.930 4.130 -0.200 19533 4123 1 10 . 1 1 70 70 ILE CA C 70 62.270 62.270 60.472 1.798 19533 4124 1 10 . 1 1 70 70 ILE CB C 70 39.050 39.050 39.211 -0.161 19533 4125 1 10 . 1 1 70 70 ILE H H 70 7.070 7.070 7.510 -0.440 19533 4126 1 10 . 1 1 71 71 ASN HA H 71 4.860 4.860 4.829 0.031 19533 4127 1 10 . 1 1 71 71 ASN C C 71 174.190 174.190 175.231 -1.041 19533 4128 1 10 . 1 1 71 71 ASN CA C 71 52.330 52.330 51.987 0.343 19533 4129 1 10 . 1 1 71 71 ASN CB C 71 39.180 39.180 39.817 -0.637 19533 4130 1 10 . 1 1 72 72 LEU N N 72 125.700 125.700 125.108 0.592 19533 4131 1 10 . 1 1 72 72 LEU HA H 72 4.610 4.610 4.299 0.311 19533 4132 1 10 . 1 1 72 72 LEU CA C 72 52.410 52.410 54.167 -1.757 19533 4133 1 10 . 1 1 72 72 LEU CB C 72 41.670 41.670 42.135 -0.465 19533 4134 1 10 . 1 1 72 72 LEU H H 72 8.440 8.440 8.423 0.017 19533 4135 1 10 . 1 1 73 73 PRO HA H 73 4.420 4.420 4.444 -0.024 19533 4136 1 10 . 1 1 73 73 PRO C C 73 176.110 176.110 176.035 0.075 19533 4137 1 10 . 1 1 73 73 PRO CA C 73 62.240 62.240 62.370 -0.130 19533 4138 1 10 . 1 1 73 73 PRO CB C 73 32.450 32.450 32.487 -0.037 19533 4139 1 10 . 1 1 74 74 ALA N N 74 123.290 123.290 123.446 -0.156 19533 4140 1 10 . 1 1 74 74 ALA HA H 74 4.170 4.170 4.091 0.079 19533 4141 1 10 . 1 1 74 74 ALA C C 74 178.430 178.430 178.815 -0.385 19533 4142 1 10 . 1 1 74 74 ALA CA C 74 53.550 53.550 53.053 0.497 19533 4143 1 10 . 1 1 74 74 ALA CB C 74 18.300 18.300 18.738 -0.438 19533 4144 1 10 . 1 1 74 74 ALA H H 74 8.160 8.160 8.219 -0.059 19533 4145 1 10 . 1 1 75 75 GLY N N 75 106.750 106.750 108.769 -2.019 19533 4146 1 10 . 1 1 75 75 GLY C C 75 174.140 174.140 173.396 0.744 19533 4147 1 10 . 1 1 75 75 GLY CA C 75 45.020 45.020 45.223 -0.203 19533 4148 1 10 . 1 1 75 75 GLY H H 75 8.420 8.420 8.543 -0.123 19533 4149 1 10 . 1 1 76 76 VAL N N 76 120.550 120.550 118.690 1.860 19533 4150 1 10 . 1 1 76 76 VAL HA H 76 4.660 4.660 5.189 -0.529 19533 4151 1 10 . 1 1 76 76 VAL C C 76 174.120 174.120 174.430 -0.310 19533 4152 1 10 . 1 1 76 76 VAL CA C 76 61.070 61.070 60.410 0.660 19533 4153 1 10 . 1 1 76 76 VAL CB C 76 32.960 32.960 34.973 -2.013 19533 4154 1 10 . 1 1 76 76 VAL H H 76 7.460 7.460 7.333 0.127 19533 4155 1 10 . 1 1 77 77 ASP N N 77 128.070 128.070 125.315 2.755 19533 4156 1 10 . 1 1 77 77 ASP HA H 77 4.970 4.970 4.973 -0.003 19533 4157 1 10 . 1 1 77 77 ASP C C 77 175.020 175.020 174.364 0.656 19533 4158 1 10 . 1 1 77 77 ASP CA C 77 53.550 53.550 52.201 1.349 19533 4159 1 10 . 1 1 77 77 ASP CB C 77 43.840 43.840 44.169 -0.328 19533 4160 1 10 . 1 1 77 77 ASP H H 77 8.950 8.950 8.881 0.069 19533 4161 1 10 . 1 1 78 78 VAL N N 78 122.000 122.000 120.849 1.151 19533 4162 1 10 . 1 1 78 78 VAL HA H 78 4.850 4.850 4.841 0.009 19533 4163 1 10 . 1 1 78 78 VAL C C 78 174.280 174.280 175.374 -1.094 19533 4164 1 10 . 1 1 78 78 VAL CA C 78 60.720 60.720 60.556 0.165 19533 4165 1 10 . 1 1 78 78 VAL CB C 78 34.600 34.600 35.881 -1.281 19533 4166 1 10 . 1 1 78 78 VAL H H 78 8.460 8.460 8.395 0.065 19533 4167 1 10 . 1 1 79 79 GLU N N 79 127.380 127.380 124.462 2.918 19533 4168 1 10 . 1 1 79 79 GLU CA C 79 54.800 54.800 55.139 -0.339 19533 4169 1 10 . 1 1 79 79 GLU CB C 79 33.610 33.610 32.017 1.593 19533 4170 1 10 . 1 1 79 79 GLU H H 79 8.820 8.820 8.397 0.423 19533 4171 1 11 . 1 1 3 3 GLY C C 3 174.400 174.400 175.517 -1.117 19533 4172 1 11 . 1 1 3 3 GLY CA C 3 45.570 45.570 44.957 0.613 19533 4173 1 11 . 1 1 4 4 GLY N N 4 109.110 109.110 110.640 -1.530 19533 4174 1 11 . 1 1 4 4 GLY C C 4 174.070 174.070 174.538 -0.468 19533 4175 1 11 . 1 1 4 4 GLY CA C 4 45.410 45.410 45.895 -0.485 19533 4176 1 11 . 1 1 4 4 GLY H H 4 8.380 8.380 8.677 -0.297 19533 4177 1 11 . 1 1 5 5 GLN N N 5 119.810 119.810 118.761 1.049 19533 4178 1 11 . 1 1 5 5 GLN HA H 5 4.470 4.470 4.605 -0.135 19533 4179 1 11 . 1 1 5 5 GLN C C 5 174.980 174.980 174.290 0.690 19533 4180 1 11 . 1 1 5 5 GLN CA C 5 56.300 56.300 54.718 1.582 19533 4181 1 11 . 1 1 5 5 GLN CB C 5 30.080 30.080 30.430 -0.350 19533 4182 1 11 . 1 1 5 5 GLN H H 5 8.280 8.280 7.841 0.439 19533 4183 1 11 . 1 1 6 6 LYS N N 6 120.240 120.240 118.620 1.620 19533 4184 1 11 . 1 1 6 6 LYS HA H 6 5.080 5.080 4.889 0.191 19533 4185 1 11 . 1 1 6 6 LYS C C 6 175.110 175.110 175.181 -0.071 19533 4186 1 11 . 1 1 6 6 LYS CA C 6 55.330 55.330 54.650 0.680 19533 4187 1 11 . 1 1 6 6 LYS CB C 6 35.450 35.450 35.383 0.067 19533 4188 1 11 . 1 1 6 6 LYS H H 6 8.080 8.080 8.201 -0.121 19533 4189 1 11 . 1 1 7 7 ILE N N 7 120.690 120.690 121.645 -0.955 19533 4190 1 11 . 1 1 7 7 ILE HA H 7 4.540 4.540 4.410 0.130 19533 4191 1 11 . 1 1 7 7 ILE C C 7 173.880 173.880 174.857 -0.977 19533 4192 1 11 . 1 1 7 7 ILE CA C 7 60.520 60.520 60.183 0.337 19533 4193 1 11 . 1 1 7 7 ILE CB C 7 40.830 40.830 41.445 -0.615 19533 4194 1 11 . 1 1 7 7 ILE H H 7 8.770 8.770 8.711 0.059 19533 4195 1 11 . 1 1 8 8 ARG N N 8 127.060 127.060 125.113 1.947 19533 4196 1 11 . 1 1 8 8 ARG HA H 8 5.330 5.330 5.153 0.177 19533 4197 1 11 . 1 1 8 8 ARG C C 8 174.690 174.690 175.310 -0.620 19533 4198 1 11 . 1 1 8 8 ARG CA C 8 55.070 55.070 54.919 0.151 19533 4199 1 11 . 1 1 8 8 ARG CB C 8 32.370 32.370 32.967 -0.597 19533 4200 1 11 . 1 1 8 8 ARG H H 8 8.480 8.480 8.562 -0.082 19533 4201 1 11 . 1 1 9 9 ILE N N 9 127.670 127.670 124.444 3.226 19533 4202 1 11 . 1 1 9 9 ILE HA H 9 4.800 4.800 4.430 0.370 19533 4203 1 11 . 1 1 9 9 ILE C C 9 174.380 174.380 174.851 -0.471 19533 4204 1 11 . 1 1 9 9 ILE CA C 9 60.240 60.240 58.111 2.129 19533 4205 1 11 . 1 1 9 9 ILE CB C 9 39.860 39.860 39.607 0.253 19533 4206 1 11 . 1 1 9 9 ILE H H 9 9.540 9.540 9.031 0.509 19533 4207 1 11 . 1 1 10 10 LYS N N 10 127.240 127.240 127.020 0.220 19533 4208 1 11 . 1 1 10 10 LYS HA H 10 5.220 5.220 5.082 0.138 19533 4209 1 11 . 1 1 10 10 LYS C C 10 175.130 175.130 175.423 -0.293 19533 4210 1 11 . 1 1 10 10 LYS CA C 10 54.760 54.760 55.400 -0.640 19533 4211 1 11 . 1 1 10 10 LYS CB C 10 34.940 34.940 34.559 0.381 19533 4212 1 11 . 1 1 10 10 LYS H H 10 9.050 9.050 8.647 0.403 19533 4213 1 11 . 1 1 11 11 LEU N N 11 124.480 124.480 124.741 -0.261 19533 4214 1 11 . 1 1 11 11 LEU HA H 11 5.450 5.450 5.555 -0.105 19533 4215 1 11 . 1 1 11 11 LEU C C 11 176.000 176.000 176.115 -0.115 19533 4216 1 11 . 1 1 11 11 LEU CA C 11 53.320 53.320 53.551 -0.231 19533 4217 1 11 . 1 1 11 11 LEU CB C 11 46.960 46.960 44.529 2.431 19533 4218 1 11 . 1 1 11 11 LEU H H 11 8.790 8.790 8.537 0.253 19533 4219 1 11 . 1 1 12 12 LYS N N 12 119.690 119.690 121.595 -1.905 19533 4220 1 11 . 1 1 12 12 LYS HA H 12 5.570 5.570 5.088 0.482 19533 4221 1 11 . 1 1 12 12 LYS C C 12 174.610 174.610 174.901 -0.291 19533 4222 1 11 . 1 1 12 12 LYS CA C 12 54.600 54.600 54.979 -0.379 19533 4223 1 11 . 1 1 12 12 LYS CB C 12 36.480 36.480 35.825 0.655 19533 4224 1 11 . 1 1 12 12 LYS H H 12 8.550 8.550 8.584 -0.034 19533 4225 1 11 . 1 1 13 13 ALA N N 13 120.780 120.780 125.751 -4.971 19533 4226 1 11 . 1 1 13 13 ALA HA H 13 4.720 4.720 4.945 -0.225 19533 4227 1 11 . 1 1 13 13 ALA C C 13 176.120 176.120 176.443 -0.323 19533 4228 1 11 . 1 1 13 13 ALA CA C 13 52.230 52.230 51.447 0.783 19533 4229 1 11 . 1 1 13 13 ALA CB C 13 24.780 24.780 22.062 2.717 19533 4230 1 11 . 1 1 13 13 ALA H H 13 8.740 8.740 8.055 0.685 19533 4231 1 11 . 1 1 14 14 TYR N N 14 117.810 117.810 120.836 -3.026 19533 4232 1 11 . 1 1 14 14 TYR HA H 14 4.920 4.920 4.394 0.526 19533 4233 1 11 . 1 1 14 14 TYR C C 14 175.960 175.960 176.392 -0.432 19533 4234 1 11 . 1 1 14 14 TYR CA C 14 59.790 59.790 61.081 -1.291 19533 4235 1 11 . 1 1 14 14 TYR CB C 14 38.840 38.840 38.841 -0.001 19533 4236 1 11 . 1 1 14 14 TYR H H 14 8.670 8.670 8.723 -0.053 19533 4237 1 11 . 1 1 15 15 ASP N N 15 118.650 118.650 117.723 0.927 19533 4238 1 11 . 1 1 15 15 ASP HA H 15 4.890 4.890 4.921 -0.031 19533 4239 1 11 . 1 1 15 15 ASP C C 15 175.980 175.980 176.301 -0.321 19533 4240 1 11 . 1 1 15 15 ASP CA C 15 52.830 52.830 53.746 -0.916 19533 4241 1 11 . 1 1 15 15 ASP CB C 15 42.420 42.420 41.194 1.226 19533 4242 1 11 . 1 1 15 15 ASP H H 15 7.390 7.390 8.129 -0.739 19533 4243 1 11 . 1 1 16 16 HIS N N 16 124.080 124.080 126.441 -2.361 19533 4244 1 11 . 1 1 16 16 HIS HA H 16 3.830 3.830 4.105 -0.275 19533 4245 1 11 . 1 1 16 16 HIS C C 16 176.000 176.000 176.293 -0.293 19533 4246 1 11 . 1 1 16 16 HIS CA C 16 59.190 59.190 60.562 -1.372 19533 4247 1 11 . 1 1 16 16 HIS CB C 16 29.030 29.030 30.042 -1.012 19533 4248 1 11 . 1 1 16 16 HIS H H 16 8.190 8.190 8.909 -0.719 19533 4249 1 11 . 1 1 17 17 GLU N N 17 121.830 121.830 118.225 3.605 19533 4250 1 11 . 1 1 17 17 GLU HA H 17 4.040 4.040 4.051 -0.011 19533 4251 1 11 . 1 1 17 17 GLU C C 17 179.540 179.540 179.242 0.298 19533 4252 1 11 . 1 1 17 17 GLU CA C 17 59.520 59.520 59.703 -0.183 19533 4253 1 11 . 1 1 17 17 GLU CB C 17 29.020 29.020 28.841 0.179 19533 4254 1 11 . 1 1 17 17 GLU H H 17 7.740 7.740 8.956 -1.216 19533 4255 1 11 . 1 1 18 18 LEU N N 18 121.120 121.120 119.050 2.070 19533 4256 1 11 . 1 1 18 18 LEU HA H 18 4.030 4.030 4.096 -0.066 19533 4257 1 11 . 1 1 18 18 LEU C C 18 180.600 180.600 179.305 1.295 19533 4258 1 11 . 1 1 18 18 LEU CA C 18 57.050 57.050 57.299 -0.249 19533 4259 1 11 . 1 1 18 18 LEU CB C 18 42.390 42.390 41.575 0.815 19533 4260 1 11 . 1 1 18 18 LEU H H 18 7.510 7.510 7.359 0.151 19533 4261 1 11 . 1 1 19 19 LEU N N 19 121.190 121.190 121.691 -0.501 19533 4262 1 11 . 1 1 19 19 LEU HA H 19 3.750 3.750 4.118 -0.368 19533 4263 1 11 . 1 1 19 19 LEU C C 19 177.580 177.580 178.327 -0.747 19533 4264 1 11 . 1 1 19 19 LEU CA C 19 57.950 57.950 57.020 0.930 19533 4265 1 11 . 1 1 19 19 LEU CB C 19 42.100 42.100 41.391 0.709 19533 4266 1 11 . 1 1 19 19 LEU H H 19 7.780 7.780 7.648 0.132 19533 4267 1 11 . 1 1 20 20 ASP N N 20 119.750 119.750 119.150 0.600 19533 4268 1 11 . 1 1 20 20 ASP HA H 20 4.490 4.490 4.160 0.330 19533 4269 1 11 . 1 1 20 20 ASP C C 20 179.450 179.450 178.109 1.341 19533 4270 1 11 . 1 1 20 20 ASP CA C 20 58.070 58.070 57.322 0.748 19533 4271 1 11 . 1 1 20 20 ASP CB C 20 40.130 40.130 40.447 -0.317 19533 4272 1 11 . 1 1 20 20 ASP H H 20 8.150 8.150 8.276 -0.126 19533 4273 1 11 . 1 1 21 21 GLU N N 21 120.710 120.710 118.940 1.770 19533 4274 1 11 . 1 1 21 21 GLU HA H 21 4.080 4.080 4.086 -0.006 19533 4275 1 11 . 1 1 21 21 GLU C C 21 179.370 179.370 179.141 0.229 19533 4276 1 11 . 1 1 21 21 GLU CA C 21 59.210 59.210 59.111 0.099 19533 4277 1 11 . 1 1 21 21 GLU CB C 21 29.650 29.650 29.380 0.270 19533 4278 1 11 . 1 1 21 21 GLU H H 21 8.050 8.050 7.823 0.227 19533 4279 1 11 . 1 1 22 22 SER N N 22 116.150 116.150 115.642 0.508 19533 4280 1 11 . 1 1 22 22 SER HA H 22 4.090 4.090 4.163 -0.073 19533 4281 1 11 . 1 1 22 22 SER C C 22 175.000 175.000 176.884 -1.884 19533 4282 1 11 . 1 1 22 22 SER CA C 22 62.900 62.900 61.253 1.647 19533 4283 1 11 . 1 1 22 22 SER CB C 22 62.900 62.900 63.023 -0.123 19533 4284 1 11 . 1 1 22 22 SER H H 22 7.950 7.950 8.090 -0.140 19533 4285 1 11 . 1 1 23 23 ALA N N 23 123.240 123.240 125.252 -2.012 19533 4286 1 11 . 1 1 23 23 ALA HA H 23 3.760 3.760 4.137 -0.377 19533 4287 1 11 . 1 1 23 23 ALA C C 23 178.540 178.540 179.510 -0.970 19533 4288 1 11 . 1 1 23 23 ALA CA C 23 55.190 55.190 54.886 0.304 19533 4289 1 11 . 1 1 23 23 ALA CB C 23 17.870 17.870 18.412 -0.542 19533 4290 1 11 . 1 1 23 23 ALA H H 23 8.560 8.560 8.176 0.384 19533 4291 1 11 . 1 1 24 24 LYS N N 24 116.780 116.780 119.014 -2.234 19533 4292 1 11 . 1 1 24 24 LYS HA H 24 3.840 3.840 3.954 -0.114 19533 4293 1 11 . 1 1 24 24 LYS C C 24 178.720 178.720 179.069 -0.349 19533 4294 1 11 . 1 1 24 24 LYS CA C 24 59.940 59.940 59.879 0.061 19533 4295 1 11 . 1 1 24 24 LYS CB C 24 32.250 32.250 32.411 -0.161 19533 4296 1 11 . 1 1 24 24 LYS H H 24 7.750 7.750 8.162 -0.412 19533 4297 1 11 . 1 1 25 25 LYS N N 25 118.950 118.950 119.176 -0.226 19533 4298 1 11 . 1 1 25 25 LYS HA H 25 4.040 4.040 4.055 -0.015 19533 4299 1 11 . 1 1 25 25 LYS C C 25 178.720 178.720 179.173 -0.453 19533 4300 1 11 . 1 1 25 25 LYS CA C 25 59.000 59.000 59.659 -0.659 19533 4301 1 11 . 1 1 25 25 LYS CB C 25 32.120 32.120 32.455 -0.335 19533 4302 1 11 . 1 1 25 25 LYS H H 25 7.580 7.580 8.383 -0.803 19533 4303 1 11 . 1 1 26 26 ILE N N 26 118.310 118.310 120.237 -1.927 19533 4304 1 11 . 1 1 26 26 ILE HA H 26 3.470 3.470 3.732 -0.262 19533 4305 1 11 . 1 1 26 26 ILE CA C 26 65.060 65.060 65.028 0.031 19533 4306 1 11 . 1 1 26 26 ILE CB C 26 36.720 36.720 37.929 -1.209 19533 4307 1 11 . 1 1 26 26 ILE H H 26 7.610 7.610 7.746 -0.136 19533 4308 1 11 . 1 1 27 27 VAL N N 27 118.900 118.900 120.710 -1.810 19533 4309 1 11 . 1 1 27 27 VAL HA H 27 3.390 3.390 3.509 -0.119 19533 4310 1 11 . 1 1 27 27 VAL C C 27 177.550 177.550 178.185 -0.635 19533 4311 1 11 . 1 1 27 27 VAL CA C 27 67.630 67.630 67.547 0.083 19533 4312 1 11 . 1 1 27 27 VAL CB C 27 31.420 31.420 31.149 0.271 19533 4313 1 11 . 1 1 27 27 VAL H H 27 7.950 7.950 8.445 -0.495 19533 4314 1 11 . 1 1 28 28 GLU N N 28 118.800 118.800 119.954 -1.154 19533 4315 1 11 . 1 1 28 28 GLU HA H 28 3.980 3.980 4.041 -0.061 19533 4316 1 11 . 1 1 28 28 GLU C C 28 180.130 180.130 179.519 0.611 19533 4317 1 11 . 1 1 28 28 GLU CA C 28 59.740 59.740 59.798 -0.058 19533 4318 1 11 . 1 1 28 28 GLU CB C 28 29.380 29.380 29.581 -0.201 19533 4319 1 11 . 1 1 28 28 GLU H H 28 8.180 8.180 8.366 -0.186 19533 4320 1 11 . 1 1 29 29 VAL N N 29 120.730 120.730 119.777 0.953 19533 4321 1 11 . 1 1 29 29 VAL HA H 29 3.710 3.710 3.747 -0.037 19533 4322 1 11 . 1 1 29 29 VAL C C 29 179.240 179.240 177.897 1.343 19533 4323 1 11 . 1 1 29 29 VAL CA C 29 66.290 66.290 65.784 0.506 19533 4324 1 11 . 1 1 29 29 VAL CB C 29 31.420 31.420 31.772 -0.352 19533 4325 1 11 . 1 1 29 29 VAL H H 29 8.120 8.120 7.651 0.469 19533 4326 1 11 . 1 1 30 30 ALA N N 30 123.770 123.770 123.213 0.557 19533 4327 1 11 . 1 1 30 30 ALA HA H 30 3.880 3.880 3.964 -0.084 19533 4328 1 11 . 1 1 30 30 ALA C C 30 179.630 179.630 179.112 0.518 19533 4329 1 11 . 1 1 30 30 ALA CA C 30 55.560 55.560 55.578 -0.018 19533 4330 1 11 . 1 1 30 30 ALA CB C 30 18.000 18.000 18.551 -0.551 19533 4331 1 11 . 1 1 30 30 ALA H H 30 8.310 8.310 8.591 -0.281 19533 4332 1 11 . 1 1 31 31 LYS N N 31 118.260 118.260 117.440 0.820 19533 4333 1 11 . 1 1 31 31 LYS HA H 31 4.200 4.200 4.106 0.094 19533 4334 1 11 . 1 1 31 31 LYS C C 31 180.710 180.710 178.955 1.755 19533 4335 1 11 . 1 1 31 31 LYS CA C 31 59.910 59.910 58.944 0.966 19533 4336 1 11 . 1 1 31 31 LYS CB C 31 32.270 32.270 32.272 -0.001 19533 4337 1 11 . 1 1 31 31 LYS H H 31 8.710 8.710 8.319 0.391 19533 4338 1 11 . 1 1 32 32 SER N N 32 115.760 115.760 112.801 2.959 19533 4339 1 11 . 1 1 32 32 SER HA H 32 4.380 4.380 4.318 0.062 19533 4340 1 11 . 1 1 32 32 SER C C 32 175.120 175.120 174.966 0.154 19533 4341 1 11 . 1 1 32 32 SER CA C 32 61.300 61.300 60.217 1.083 19533 4342 1 11 . 1 1 32 32 SER CB C 32 63.220 63.220 63.442 -0.222 19533 4343 1 11 . 1 1 32 32 SER H H 32 8.310 8.310 7.866 0.444 19533 4344 1 11 . 1 1 33 33 THR N N 33 108.990 108.990 112.541 -3.551 19533 4345 1 11 . 1 1 33 33 THR HA H 33 4.490 4.490 4.415 0.075 19533 4346 1 11 . 1 1 33 33 THR C C 33 173.390 173.390 174.518 -1.128 19533 4347 1 11 . 1 1 33 33 THR CA C 33 60.910 60.910 61.355 -0.445 19533 4348 1 11 . 1 1 33 33 THR CB C 33 68.860 68.860 70.365 -1.505 19533 4349 1 11 . 1 1 33 33 THR H H 33 7.330 7.330 7.449 -0.119 19533 4350 1 11 . 1 1 34 34 ASN N N 34 115.250 115.250 118.753 -3.503 19533 4351 1 11 . 1 1 34 34 ASN HA H 34 4.450 4.450 4.430 0.020 19533 4352 1 11 . 1 1 34 34 ASN C C 34 174.490 174.490 175.877 -1.387 19533 4353 1 11 . 1 1 34 34 ASN CA C 34 54.800 54.800 55.442 -0.642 19533 4354 1 11 . 1 1 34 34 ASN CB C 34 37.160 37.160 38.620 -1.460 19533 4355 1 11 . 1 1 34 34 ASN H H 34 7.910 7.910 8.634 -0.724 19533 4356 1 11 . 1 1 35 35 SER N N 35 113.160 113.160 114.331 -1.171 19533 4357 1 11 . 1 1 35 35 SER HA H 35 4.830 4.830 4.693 0.137 19533 4358 1 11 . 1 1 35 35 SER C C 35 173.250 173.250 174.206 -0.956 19533 4359 1 11 . 1 1 35 35 SER CA C 35 58.550 58.550 59.135 -0.585 19533 4360 1 11 . 1 1 35 35 SER CB C 35 64.910 64.910 64.058 0.852 19533 4361 1 11 . 1 1 35 35 SER H H 35 7.800 7.800 7.957 -0.157 19533 4362 1 11 . 1 1 36 36 LYS N N 36 123.770 123.770 121.606 2.164 19533 4363 1 11 . 1 1 36 36 LYS HA H 36 4.420 4.420 4.603 -0.183 19533 4364 1 11 . 1 1 36 36 LYS C C 36 175.270 175.270 174.993 0.277 19533 4365 1 11 . 1 1 36 36 LYS CA C 36 56.290 56.290 55.522 0.768 19533 4366 1 11 . 1 1 36 36 LYS CB C 36 33.390 33.390 35.350 -1.960 19533 4367 1 11 . 1 1 36 36 LYS H H 36 8.390 8.390 8.382 0.008 19533 4368 1 11 . 1 1 37 37 VAL N N 37 119.710 119.710 122.434 -2.724 19533 4369 1 11 . 1 1 37 37 VAL HA H 37 5.010 5.010 4.647 0.363 19533 4370 1 11 . 1 1 37 37 VAL C C 37 175.120 175.120 175.363 -0.243 19533 4371 1 11 . 1 1 37 37 VAL CA C 37 59.800 59.800 61.027 -1.227 19533 4372 1 11 . 1 1 37 37 VAL CB C 37 35.260 35.260 34.930 0.330 19533 4373 1 11 . 1 1 37 37 VAL H H 37 8.130 8.130 8.413 -0.283 19533 4374 1 11 . 1 1 38 38 SER N N 38 121.650 121.650 121.234 0.416 19533 4375 1 11 . 1 1 38 38 SER HA H 38 4.810 4.810 4.879 -0.069 19533 4376 1 11 . 1 1 38 38 SER C C 38 173.290 173.290 173.432 -0.142 19533 4377 1 11 . 1 1 38 38 SER CA C 38 56.930 56.930 56.778 0.152 19533 4378 1 11 . 1 1 38 38 SER CB C 38 64.420 64.420 65.615 -1.196 19533 4379 1 11 . 1 1 38 38 SER H H 38 9.060 9.060 9.194 -0.134 19533 4380 1 11 . 1 1 39 39 GLY N N 39 112.740 112.740 110.298 2.442 19533 4381 1 11 . 1 1 39 39 GLY CA C 39 43.180 43.180 44.453 -1.273 19533 4382 1 11 . 1 1 39 39 GLY H H 39 8.430 8.430 8.203 0.227 19533 4383 1 11 . 1 1 40 40 PRO HA H 40 4.760 4.760 4.511 0.249 19533 4384 1 11 . 1 1 40 40 PRO C C 40 175.760 175.760 176.074 -0.314 19533 4385 1 11 . 1 1 40 40 PRO CA C 40 61.350 61.350 62.943 -1.593 19533 4386 1 11 . 1 1 40 40 PRO CB C 40 34.780 34.780 32.351 2.429 19533 4387 1 11 . 1 1 41 41 ILE N N 41 125.440 125.440 122.807 2.633 19533 4388 1 11 . 1 1 41 41 ILE HA H 41 4.750 4.750 4.579 0.171 19533 4389 1 11 . 1 1 41 41 ILE CA C 41 57.700 57.700 58.378 -0.678 19533 4390 1 11 . 1 1 41 41 ILE CB C 41 40.570 40.570 38.641 1.929 19533 4391 1 11 . 1 1 41 41 ILE H H 41 9.560 9.560 8.892 0.668 19533 4392 1 11 . 1 1 42 42 PRO HA H 42 4.820 4.820 4.560 0.260 19533 4393 1 11 . 1 1 42 42 PRO C C 42 175.600 175.600 175.882 -0.282 19533 4394 1 11 . 1 1 42 42 PRO CA C 42 62.720 62.720 62.924 -0.204 19533 4395 1 11 . 1 1 42 42 PRO CB C 42 31.740 31.740 32.308 -0.568 19533 4396 1 11 . 1 1 43 43 LEU N N 43 123.010 123.010 124.701 -1.691 19533 4397 1 11 . 1 1 43 43 LEU HA H 43 4.830 4.830 4.861 -0.031 19533 4398 1 11 . 1 1 43 43 LEU CA C 43 51.960 51.960 51.690 0.270 19533 4399 1 11 . 1 1 43 43 LEU CB C 43 42.460 42.460 43.037 -0.577 19533 4400 1 11 . 1 1 43 43 LEU H H 43 7.230 7.230 8.094 -0.864 19533 4401 1 11 . 1 1 44 44 PRO HA H 44 4.370 4.370 4.523 -0.153 19533 4402 1 11 . 1 1 44 44 PRO C C 44 176.620 176.620 175.928 0.692 19533 4403 1 11 . 1 1 44 44 PRO CA C 44 63.660 63.660 62.821 0.839 19533 4404 1 11 . 1 1 44 44 PRO CB C 44 31.780 31.780 31.848 -0.068 19533 4405 1 11 . 1 1 45 45 THR N N 45 121.280 121.280 117.779 3.501 19533 4406 1 11 . 1 1 45 45 THR HA H 45 4.380 4.380 4.452 -0.072 19533 4407 1 11 . 1 1 45 45 THR CA C 45 63.240 63.240 62.132 1.108 19533 4408 1 11 . 1 1 45 45 THR CB C 45 69.520 69.520 69.991 -0.471 19533 4409 1 11 . 1 1 45 45 THR H H 45 8.360 8.360 8.109 0.251 19533 4410 1 11 . 1 1 46 46 GLU C C 46 176.830 176.830 176.478 0.352 19533 4411 1 11 . 1 1 46 46 GLU CB C 46 24.950 24.950 31.463 -6.513 19533 4412 1 11 . 1 1 47 47 SER N N 47 121.430 121.430 121.476 -0.046 19533 4413 1 11 . 1 1 47 47 SER HA H 47 4.910 4.910 4.034 0.876 19533 4414 1 11 . 1 1 47 47 SER CA C 47 55.810 55.810 60.746 -4.936 19533 4415 1 11 . 1 1 47 47 SER CB C 47 64.100 64.100 62.952 1.148 19533 4416 1 11 . 1 1 47 47 SER H H 47 7.820 7.820 8.992 -1.172 19533 4417 1 11 . 1 1 48 48 ARG HA H 48 3.650 3.650 4.552 -0.902 19533 4418 1 11 . 1 1 48 48 ARG C C 48 173.650 173.650 174.247 -0.597 19533 4419 1 11 . 1 1 48 48 ARG CA C 48 58.000 58.000 55.792 2.208 19533 4420 1 11 . 1 1 48 48 ARG CB C 48 28.170 28.170 32.092 -3.922 19533 4421 1 11 . 1 1 49 49 VAL N N 49 119.480 119.480 120.434 -0.954 19533 4422 1 11 . 1 1 49 49 VAL HA H 49 3.530 3.530 4.353 -0.823 19533 4423 1 11 . 1 1 49 49 VAL C C 49 174.680 174.680 174.351 0.329 19533 4424 1 11 . 1 1 49 49 VAL CA C 49 62.880 62.880 60.151 2.729 19533 4425 1 11 . 1 1 49 49 VAL CB C 49 32.030 32.030 33.600 -1.570 19533 4426 1 11 . 1 1 49 49 VAL H H 49 7.700 7.700 8.315 -0.615 19533 4427 1 11 . 1 1 50 50 HIS N N 50 128.530 128.530 125.766 2.764 19533 4428 1 11 . 1 1 50 50 HIS HA H 50 4.720 4.720 4.924 -0.204 19533 4429 1 11 . 1 1 50 50 HIS C C 50 175.470 175.470 174.049 1.421 19533 4430 1 11 . 1 1 50 50 HIS CA C 50 55.380 55.380 55.471 -0.091 19533 4431 1 11 . 1 1 50 50 HIS CB C 50 32.950 32.950 32.146 0.804 19533 4432 1 11 . 1 1 50 50 HIS H H 50 8.350 8.350 8.447 -0.097 19533 4433 1 11 . 1 1 51 51 LYS N N 51 117.460 117.460 120.538 -3.078 19533 4434 1 11 . 1 1 51 51 LYS HA H 51 5.770 5.770 5.389 0.381 19533 4435 1 11 . 1 1 51 51 LYS C C 51 177.900 177.900 175.393 2.507 19533 4436 1 11 . 1 1 51 51 LYS CA C 51 55.210 55.210 54.987 0.223 19533 4437 1 11 . 1 1 51 51 LYS CB C 51 39.360 39.360 36.233 3.127 19533 4438 1 11 . 1 1 51 51 LYS H H 51 8.940 8.940 8.700 0.240 19533 4439 1 11 . 1 1 52 52 ARG N N 52 120.830 120.830 121.138 -0.308 19533 4440 1 11 . 1 1 52 52 ARG HA H 52 5.240 5.240 5.005 0.235 19533 4441 1 11 . 1 1 52 52 ARG C C 52 173.860 173.860 174.192 -0.332 19533 4442 1 11 . 1 1 52 52 ARG CA C 52 53.070 53.070 54.818 -1.748 19533 4443 1 11 . 1 1 52 52 ARG CB C 52 34.830 34.830 34.647 0.183 19533 4444 1 11 . 1 1 52 52 ARG H H 52 8.990 8.990 8.413 0.577 19533 4445 1 11 . 1 1 53 53 LEU N N 53 122.250 122.250 123.619 -1.369 19533 4446 1 11 . 1 1 53 53 LEU HA H 53 5.440 5.440 5.196 0.244 19533 4447 1 11 . 1 1 53 53 LEU C C 53 176.140 176.140 174.646 1.494 19533 4448 1 11 . 1 1 53 53 LEU CA C 53 53.800 53.800 53.211 0.589 19533 4449 1 11 . 1 1 53 53 LEU CB C 53 46.410 46.410 45.795 0.615 19533 4450 1 11 . 1 1 53 53 LEU H H 53 8.880 8.880 9.104 -0.224 19533 4451 1 11 . 1 1 54 54 ILE N N 54 124.790 124.790 126.228 -1.438 19533 4452 1 11 . 1 1 54 54 ILE HA H 54 4.420 4.420 4.530 -0.110 19533 4453 1 11 . 1 1 54 54 ILE C C 54 173.160 173.160 174.183 -1.023 19533 4454 1 11 . 1 1 54 54 ILE CA C 54 61.420 61.420 60.216 1.204 19533 4455 1 11 . 1 1 54 54 ILE CB C 54 43.480 43.480 40.270 3.210 19533 4456 1 11 . 1 1 54 54 ILE H H 54 9.280 9.280 9.098 0.182 19533 4457 1 11 . 1 1 55 55 ASP N N 55 126.260 126.260 127.860 -1.600 19533 4458 1 11 . 1 1 55 55 ASP HA H 55 5.800 5.800 5.098 0.702 19533 4459 1 11 . 1 1 55 55 ASP C C 55 175.300 175.300 174.908 0.392 19533 4460 1 11 . 1 1 55 55 ASP CA C 55 53.120 53.120 52.721 0.399 19533 4461 1 11 . 1 1 55 55 ASP CB C 55 43.530 43.530 43.089 0.441 19533 4462 1 11 . 1 1 55 55 ASP H H 55 8.560 8.560 8.297 0.263 19533 4463 1 11 . 1 1 56 56 ILE N N 56 122.260 122.260 124.187 -1.927 19533 4464 1 11 . 1 1 56 56 ILE HA H 56 4.620 4.620 4.535 0.085 19533 4465 1 11 . 1 1 56 56 ILE C C 56 174.610 174.610 175.144 -0.534 19533 4466 1 11 . 1 1 56 56 ILE CA C 56 60.160 60.160 60.356 -0.196 19533 4467 1 11 . 1 1 56 56 ILE CB C 56 38.520 38.520 40.230 -1.710 19533 4468 1 11 . 1 1 56 56 ILE H H 56 9.100 9.100 8.986 0.114 19533 4469 1 11 . 1 1 57 57 ILE N N 57 128.860 128.860 127.512 1.348 19533 4470 1 11 . 1 1 57 57 ILE HA H 57 4.200 4.200 4.365 -0.165 19533 4471 1 11 . 1 1 57 57 ILE C C 57 174.350 174.350 174.660 -0.310 19533 4472 1 11 . 1 1 57 57 ILE CA C 57 60.810 60.810 60.123 0.687 19533 4473 1 11 . 1 1 57 57 ILE CB C 57 39.300 39.300 40.814 -1.514 19533 4474 1 11 . 1 1 57 57 ILE H H 57 8.480 8.480 9.154 -0.674 19533 4475 1 11 . 1 1 58 58 ASP N N 58 122.140 122.140 123.624 -1.484 19533 4476 1 11 . 1 1 58 58 ASP HA H 58 4.450 4.450 4.372 0.078 19533 4477 1 11 . 1 1 58 58 ASP CA C 58 55.110 55.110 54.307 0.803 19533 4478 1 11 . 1 1 58 58 ASP CB C 58 39.500 39.500 40.860 -1.360 19533 4479 1 11 . 1 1 58 58 ASP H H 58 8.760 8.760 8.683 0.077 19533 4480 1 11 . 1 1 59 59 PRO HA H 59 4.430 4.430 4.395 0.035 19533 4481 1 11 . 1 1 59 59 PRO C C 59 176.690 176.690 175.931 0.759 19533 4482 1 11 . 1 1 59 59 PRO CA C 59 62.260 62.260 63.047 -0.787 19533 4483 1 11 . 1 1 59 59 PRO CB C 59 31.590 31.590 32.312 -0.722 19533 4484 1 11 . 1 1 60 60 SER N N 60 117.890 117.890 117.708 0.182 19533 4485 1 11 . 1 1 60 60 SER HA H 60 4.920 4.920 4.936 -0.016 19533 4486 1 11 . 1 1 60 60 SER CA C 60 56.020 56.020 56.110 -0.090 19533 4487 1 11 . 1 1 60 60 SER CB C 60 64.140 64.140 64.740 -0.601 19533 4488 1 11 . 1 1 60 60 SER H H 60 8.050 8.050 7.863 0.187 19533 4489 1 11 . 1 1 61 61 PRO HA H 61 4.240 4.240 4.378 -0.138 19533 4490 1 11 . 1 1 61 61 PRO CA C 61 66.000 66.000 65.004 0.996 19533 4491 1 11 . 1 1 61 61 PRO CB C 61 32.100 32.100 32.023 0.077 19533 4492 1 11 . 1 1 62 62 LYS HA H 62 4.150 4.150 4.113 0.037 19533 4493 1 11 . 1 1 62 62 LYS C C 62 179.040 179.040 178.428 0.612 19533 4494 1 11 . 1 1 62 62 LYS CA C 62 58.690 58.690 59.392 -0.702 19533 4495 1 11 . 1 1 62 62 LYS CB C 62 32.330 32.330 32.068 0.262 19533 4496 1 11 . 1 1 63 63 THR N N 63 118.760 118.760 116.003 2.757 19533 4497 1 11 . 1 1 63 63 THR HA H 63 3.880 3.880 4.077 -0.197 19533 4498 1 11 . 1 1 63 63 THR C C 63 175.480 175.480 176.205 -0.725 19533 4499 1 11 . 1 1 63 63 THR CA C 63 66.680 66.680 66.727 -0.047 19533 4500 1 11 . 1 1 63 63 THR CB C 63 68.380 68.380 68.798 -0.418 19533 4501 1 11 . 1 1 63 63 THR H H 63 7.940 7.940 7.451 0.489 19533 4502 1 11 . 1 1 64 64 ILE N N 64 119.800 119.800 122.054 -2.254 19533 4503 1 11 . 1 1 64 64 ILE HA H 64 3.460 3.460 3.595 -0.135 19533 4504 1 11 . 1 1 64 64 ILE C C 64 176.830 176.830 177.411 -0.581 19533 4505 1 11 . 1 1 64 64 ILE CA C 64 65.180 65.180 65.324 -0.144 19533 4506 1 11 . 1 1 64 64 ILE CB C 64 36.720 36.720 37.616 -0.896 19533 4507 1 11 . 1 1 64 64 ILE H H 64 7.620 7.620 7.441 0.179 19533 4508 1 11 . 1 1 65 65 ASP N N 65 118.090 118.090 120.121 -2.031 19533 4509 1 11 . 1 1 65 65 ASP HA H 65 4.220 4.220 4.302 -0.082 19533 4510 1 11 . 1 1 65 65 ASP C C 65 177.620 177.620 178.550 -0.930 19533 4511 1 11 . 1 1 65 65 ASP CA C 65 57.910 57.910 57.408 0.502 19533 4512 1 11 . 1 1 65 65 ASP CB C 65 42.150 42.150 40.015 2.135 19533 4513 1 11 . 1 1 65 65 ASP H H 65 7.790 7.790 7.828 -0.038 19533 4514 1 11 . 1 1 66 66 ALA N N 66 118.370 118.370 121.953 -3.583 19533 4515 1 11 . 1 1 66 66 ALA HA H 66 3.950 3.950 4.125 -0.175 19533 4516 1 11 . 1 1 66 66 ALA C C 66 181.140 181.140 179.677 1.463 19533 4517 1 11 . 1 1 66 66 ALA CA C 66 54.970 54.970 54.839 0.131 19533 4518 1 11 . 1 1 66 66 ALA CB C 66 18.670 18.670 18.555 0.115 19533 4519 1 11 . 1 1 66 66 ALA H H 66 7.620 7.620 7.596 0.024 19533 4520 1 11 . 1 1 67 67 LEU N N 67 118.030 118.030 119.797 -1.767 19533 4521 1 11 . 1 1 67 67 LEU HA H 67 3.950 3.950 3.993 -0.043 19533 4522 1 11 . 1 1 67 67 LEU C C 67 178.210 178.210 178.368 -0.158 19533 4523 1 11 . 1 1 67 67 LEU CA C 67 57.420 57.420 57.845 -0.425 19533 4524 1 11 . 1 1 67 67 LEU CB C 67 42.100 42.100 42.011 0.089 19533 4525 1 11 . 1 1 67 67 LEU H H 67 8.180 8.180 7.567 0.613 19533 4526 1 11 . 1 1 68 68 MET N N 68 114.280 114.280 115.937 -1.657 19533 4527 1 11 . 1 1 68 68 MET HA H 68 4.260 4.260 4.139 0.121 19533 4528 1 11 . 1 1 68 68 MET C C 68 177.050 177.050 178.508 -1.458 19533 4529 1 11 . 1 1 68 68 MET CA C 68 56.990 56.990 58.090 -1.100 19533 4530 1 11 . 1 1 68 68 MET CB C 68 32.390 32.390 32.621 -0.231 19533 4531 1 11 . 1 1 68 68 MET H H 68 7.770 7.770 7.894 -0.124 19533 4532 1 11 . 1 1 69 69 ARG N N 69 115.480 115.480 117.434 -1.954 19533 4533 1 11 . 1 1 69 69 ARG HA H 69 4.410 4.410 4.244 0.166 19533 4534 1 11 . 1 1 69 69 ARG C C 69 176.480 176.480 177.048 -0.568 19533 4535 1 11 . 1 1 69 69 ARG CA C 69 55.560 55.560 57.874 -2.314 19533 4536 1 11 . 1 1 69 69 ARG CB C 69 30.970 30.970 31.059 -0.089 19533 4537 1 11 . 1 1 69 69 ARG H H 69 7.180 7.180 7.487 -0.307 19533 4538 1 11 . 1 1 70 70 ILE N N 70 119.930 119.930 118.882 1.048 19533 4539 1 11 . 1 1 70 70 ILE HA H 70 3.930 3.930 4.155 -0.225 19533 4540 1 11 . 1 1 70 70 ILE CA C 70 62.270 62.270 60.325 1.945 19533 4541 1 11 . 1 1 70 70 ILE CB C 70 39.050 39.050 39.295 -0.245 19533 4542 1 11 . 1 1 70 70 ILE H H 70 7.070 7.070 7.502 -0.432 19533 4543 1 11 . 1 1 71 71 ASN HA H 71 4.860 4.860 4.819 0.041 19533 4544 1 11 . 1 1 71 71 ASN C C 71 174.190 174.190 175.200 -1.010 19533 4545 1 11 . 1 1 71 71 ASN CA C 71 52.330 52.330 52.367 -0.037 19533 4546 1 11 . 1 1 71 71 ASN CB C 71 39.180 39.180 40.066 -0.886 19533 4547 1 11 . 1 1 72 72 LEU N N 72 125.700 125.700 124.261 1.439 19533 4548 1 11 . 1 1 72 72 LEU HA H 72 4.610 4.610 4.511 0.099 19533 4549 1 11 . 1 1 72 72 LEU CA C 72 52.410 52.410 53.183 -0.773 19533 4550 1 11 . 1 1 72 72 LEU CB C 72 41.670 41.670 40.994 0.676 19533 4551 1 11 . 1 1 72 72 LEU H H 72 8.440 8.440 8.316 0.124 19533 4552 1 11 . 1 1 73 73 PRO HA H 73 4.420 4.420 4.445 -0.025 19533 4553 1 11 . 1 1 73 73 PRO C C 73 176.110 176.110 176.429 -0.319 19533 4554 1 11 . 1 1 73 73 PRO CA C 73 62.240 62.240 62.297 -0.057 19533 4555 1 11 . 1 1 73 73 PRO CB C 73 32.450 32.450 32.510 -0.060 19533 4556 1 11 . 1 1 74 74 ALA N N 74 123.290 123.290 123.268 0.022 19533 4557 1 11 . 1 1 74 74 ALA HA H 74 4.170 4.170 4.105 0.065 19533 4558 1 11 . 1 1 74 74 ALA C C 74 178.430 178.430 178.705 -0.275 19533 4559 1 11 . 1 1 74 74 ALA CA C 74 53.550 53.550 53.122 0.428 19533 4560 1 11 . 1 1 74 74 ALA CB C 74 18.300 18.300 18.794 -0.494 19533 4561 1 11 . 1 1 74 74 ALA H H 74 8.160 8.160 8.195 -0.035 19533 4562 1 11 . 1 1 75 75 GLY N N 75 106.750 106.750 108.032 -1.282 19533 4563 1 11 . 1 1 75 75 GLY C C 75 174.140 174.140 173.178 0.962 19533 4564 1 11 . 1 1 75 75 GLY CA C 75 45.020 45.020 45.258 -0.238 19533 4565 1 11 . 1 1 75 75 GLY H H 75 8.420 8.420 8.525 -0.105 19533 4566 1 11 . 1 1 76 76 VAL N N 76 120.550 120.550 119.154 1.396 19533 4567 1 11 . 1 1 76 76 VAL HA H 76 4.660 4.660 5.035 -0.375 19533 4568 1 11 . 1 1 76 76 VAL C C 76 174.120 174.120 174.594 -0.474 19533 4569 1 11 . 1 1 76 76 VAL CA C 76 61.070 61.070 60.584 0.486 19533 4570 1 11 . 1 1 76 76 VAL CB C 76 32.960 32.960 34.603 -1.643 19533 4571 1 11 . 1 1 76 76 VAL H H 76 7.460 7.460 7.352 0.108 19533 4572 1 11 . 1 1 77 77 ASP N N 77 128.070 128.070 123.707 4.363 19533 4573 1 11 . 1 1 77 77 ASP HA H 77 4.970 4.970 4.885 0.085 19533 4574 1 11 . 1 1 77 77 ASP C C 77 175.020 175.020 174.162 0.858 19533 4575 1 11 . 1 1 77 77 ASP CA C 77 53.550 53.550 52.499 1.051 19533 4576 1 11 . 1 1 77 77 ASP CB C 77 43.840 43.840 44.739 -0.898 19533 4577 1 11 . 1 1 77 77 ASP H H 77 8.950 8.950 8.512 0.438 19533 4578 1 11 . 1 1 78 78 VAL N N 78 122.000 122.000 121.729 0.271 19533 4579 1 11 . 1 1 78 78 VAL HA H 78 4.850 4.850 5.077 -0.227 19533 4580 1 11 . 1 1 78 78 VAL C C 78 174.280 174.280 174.402 -0.122 19533 4581 1 11 . 1 1 78 78 VAL CA C 78 60.720 60.720 59.856 0.864 19533 4582 1 11 . 1 1 78 78 VAL CB C 78 34.600 34.600 35.812 -1.212 19533 4583 1 11 . 1 1 78 78 VAL H H 78 8.460 8.460 8.266 0.194 19533 4584 1 11 . 1 1 79 79 GLU N N 79 127.380 127.380 126.616 0.764 19533 4585 1 11 . 1 1 79 79 GLU CA C 79 54.800 54.800 55.361 -0.561 19533 4586 1 11 . 1 1 79 79 GLU CB C 79 33.610 33.610 30.477 3.133 19533 4587 1 11 . 1 1 79 79 GLU H H 79 8.820 8.820 8.395 0.425 19533 4588 1 12 . 1 1 3 3 GLY C C 3 174.400 174.400 173.062 1.338 19533 4589 1 12 . 1 1 3 3 GLY CA C 3 45.570 45.570 44.574 0.996 19533 4590 1 12 . 1 1 4 4 GLY N N 4 109.110 109.110 106.173 2.937 19533 4591 1 12 . 1 1 4 4 GLY C C 4 174.070 174.070 174.318 -0.248 19533 4592 1 12 . 1 1 4 4 GLY CA C 4 45.410 45.410 44.945 0.465 19533 4593 1 12 . 1 1 4 4 GLY H H 4 8.380 8.380 8.329 0.051 19533 4594 1 12 . 1 1 5 5 GLN N N 5 119.810 119.810 120.276 -0.466 19533 4595 1 12 . 1 1 5 5 GLN HA H 5 4.470 4.470 4.565 -0.095 19533 4596 1 12 . 1 1 5 5 GLN C C 5 174.980 174.980 174.360 0.620 19533 4597 1 12 . 1 1 5 5 GLN CA C 5 56.300 56.300 54.944 1.357 19533 4598 1 12 . 1 1 5 5 GLN CB C 5 30.080 30.080 30.923 -0.843 19533 4599 1 12 . 1 1 5 5 GLN H H 5 8.280 8.280 8.220 0.060 19533 4600 1 12 . 1 1 6 6 LYS N N 6 120.240 120.240 119.220 1.020 19533 4601 1 12 . 1 1 6 6 LYS HA H 6 5.080 5.080 5.149 -0.069 19533 4602 1 12 . 1 1 6 6 LYS C C 6 175.110 175.110 175.113 -0.003 19533 4603 1 12 . 1 1 6 6 LYS CA C 6 55.330 55.330 54.903 0.427 19533 4604 1 12 . 1 1 6 6 LYS CB C 6 35.450 35.450 35.572 -0.122 19533 4605 1 12 . 1 1 6 6 LYS H H 6 8.080 8.080 8.397 -0.317 19533 4606 1 12 . 1 1 7 7 ILE N N 7 120.690 120.690 122.611 -1.921 19533 4607 1 12 . 1 1 7 7 ILE HA H 7 4.540 4.540 4.463 0.077 19533 4608 1 12 . 1 1 7 7 ILE C C 7 173.880 173.880 175.162 -1.282 19533 4609 1 12 . 1 1 7 7 ILE CA C 7 60.520 60.520 59.759 0.761 19533 4610 1 12 . 1 1 7 7 ILE CB C 7 40.830 40.830 41.607 -0.777 19533 4611 1 12 . 1 1 7 7 ILE H H 7 8.770 8.770 8.133 0.637 19533 4612 1 12 . 1 1 8 8 ARG N N 8 127.060 127.060 124.203 2.857 19533 4613 1 12 . 1 1 8 8 ARG HA H 8 5.330 5.330 5.215 0.115 19533 4614 1 12 . 1 1 8 8 ARG C C 8 174.690 174.690 175.311 -0.621 19533 4615 1 12 . 1 1 8 8 ARG CA C 8 55.070 55.070 54.760 0.310 19533 4616 1 12 . 1 1 8 8 ARG CB C 8 32.370 32.370 33.062 -0.692 19533 4617 1 12 . 1 1 8 8 ARG H H 8 8.480 8.480 8.488 -0.008 19533 4618 1 12 . 1 1 9 9 ILE N N 9 127.670 127.670 123.963 3.707 19533 4619 1 12 . 1 1 9 9 ILE HA H 9 4.800 4.800 4.391 0.409 19533 4620 1 12 . 1 1 9 9 ILE C C 9 174.380 174.380 174.921 -0.541 19533 4621 1 12 . 1 1 9 9 ILE CA C 9 60.240 60.240 60.188 0.052 19533 4622 1 12 . 1 1 9 9 ILE CB C 9 39.860 39.860 41.430 -1.570 19533 4623 1 12 . 1 1 9 9 ILE H H 9 9.540 9.540 8.796 0.744 19533 4624 1 12 . 1 1 10 10 LYS N N 10 127.240 127.240 126.923 0.317 19533 4625 1 12 . 1 1 10 10 LYS HA H 10 5.220 5.220 4.931 0.289 19533 4626 1 12 . 1 1 10 10 LYS C C 10 175.130 175.130 175.476 -0.346 19533 4627 1 12 . 1 1 10 10 LYS CA C 10 54.760 54.760 55.563 -0.803 19533 4628 1 12 . 1 1 10 10 LYS CB C 10 34.940 34.940 34.273 0.667 19533 4629 1 12 . 1 1 10 10 LYS H H 10 9.050 9.050 8.605 0.445 19533 4630 1 12 . 1 1 11 11 LEU N N 11 124.480 124.480 123.679 0.801 19533 4631 1 12 . 1 1 11 11 LEU HA H 11 5.450 5.450 5.056 0.394 19533 4632 1 12 . 1 1 11 11 LEU C C 11 176.000 176.000 176.144 -0.144 19533 4633 1 12 . 1 1 11 11 LEU CA C 11 53.320 53.320 53.371 -0.051 19533 4634 1 12 . 1 1 11 11 LEU CB C 11 46.960 46.960 43.984 2.976 19533 4635 1 12 . 1 1 11 11 LEU H H 11 8.790 8.790 9.216 -0.426 19533 4636 1 12 . 1 1 12 12 LYS N N 12 119.690 119.690 122.561 -2.871 19533 4637 1 12 . 1 1 12 12 LYS HA H 12 5.570 5.570 5.340 0.230 19533 4638 1 12 . 1 1 12 12 LYS C C 12 174.610 174.610 175.056 -0.446 19533 4639 1 12 . 1 1 12 12 LYS CA C 12 54.600 54.600 54.629 -0.029 19533 4640 1 12 . 1 1 12 12 LYS CB C 12 36.480 36.480 35.883 0.597 19533 4641 1 12 . 1 1 12 12 LYS H H 12 8.550 8.550 8.299 0.251 19533 4642 1 12 . 1 1 13 13 ALA N N 13 120.780 120.780 125.270 -4.490 19533 4643 1 12 . 1 1 13 13 ALA HA H 13 4.720 4.720 5.011 -0.291 19533 4644 1 12 . 1 1 13 13 ALA C C 13 176.120 176.120 176.405 -0.285 19533 4645 1 12 . 1 1 13 13 ALA CA C 13 52.230 52.230 51.653 0.577 19533 4646 1 12 . 1 1 13 13 ALA CB C 13 24.780 24.780 21.971 2.809 19533 4647 1 12 . 1 1 13 13 ALA H H 13 8.740 8.740 8.004 0.736 19533 4648 1 12 . 1 1 14 14 TYR N N 14 117.810 117.810 120.522 -2.712 19533 4649 1 12 . 1 1 14 14 TYR HA H 14 4.920 4.920 4.588 0.332 19533 4650 1 12 . 1 1 14 14 TYR C C 14 175.960 175.960 176.179 -0.219 19533 4651 1 12 . 1 1 14 14 TYR CA C 14 59.790 59.790 60.937 -1.147 19533 4652 1 12 . 1 1 14 14 TYR CB C 14 38.840 38.840 38.942 -0.102 19533 4653 1 12 . 1 1 14 14 TYR H H 14 8.670 8.670 8.636 0.034 19533 4654 1 12 . 1 1 15 15 ASP N N 15 118.650 118.650 117.153 1.497 19533 4655 1 12 . 1 1 15 15 ASP HA H 15 4.890 4.890 5.042 -0.152 19533 4656 1 12 . 1 1 15 15 ASP C C 15 175.980 175.980 176.982 -1.002 19533 4657 1 12 . 1 1 15 15 ASP CA C 15 52.830 52.830 53.357 -0.527 19533 4658 1 12 . 1 1 15 15 ASP CB C 15 42.420 42.420 41.297 1.123 19533 4659 1 12 . 1 1 15 15 ASP H H 15 7.390 7.390 7.853 -0.463 19533 4660 1 12 . 1 1 16 16 HIS N N 16 124.080 124.080 123.583 0.497 19533 4661 1 12 . 1 1 16 16 HIS HA H 16 3.830 3.830 3.969 -0.139 19533 4662 1 12 . 1 1 16 16 HIS C C 16 176.000 176.000 176.537 -0.537 19533 4663 1 12 . 1 1 16 16 HIS CA C 16 59.190 59.190 59.427 -0.237 19533 4664 1 12 . 1 1 16 16 HIS CB C 16 29.030 29.030 29.037 -0.007 19533 4665 1 12 . 1 1 16 16 HIS H H 16 8.190 8.190 7.829 0.361 19533 4666 1 12 . 1 1 17 17 GLU N N 17 121.830 121.830 119.252 2.578 19533 4667 1 12 . 1 1 17 17 GLU HA H 17 4.040 4.040 3.904 0.136 19533 4668 1 12 . 1 1 17 17 GLU C C 17 179.540 179.540 177.976 1.564 19533 4669 1 12 . 1 1 17 17 GLU CA C 17 59.520 59.520 59.316 0.204 19533 4670 1 12 . 1 1 17 17 GLU CB C 17 29.020 29.020 28.862 0.158 19533 4671 1 12 . 1 1 17 17 GLU H H 17 7.740 7.740 7.536 0.204 19533 4672 1 12 . 1 1 18 18 LEU N N 18 121.120 121.120 119.611 1.509 19533 4673 1 12 . 1 1 18 18 LEU HA H 18 4.030 4.030 4.016 0.014 19533 4674 1 12 . 1 1 18 18 LEU C C 18 180.600 180.600 178.715 1.885 19533 4675 1 12 . 1 1 18 18 LEU CA C 18 57.050 57.050 57.350 -0.300 19533 4676 1 12 . 1 1 18 18 LEU CB C 18 42.390 42.390 41.888 0.502 19533 4677 1 12 . 1 1 18 18 LEU H H 18 7.510 7.510 7.636 -0.126 19533 4678 1 12 . 1 1 19 19 LEU N N 19 121.190 121.190 119.402 1.788 19533 4679 1 12 . 1 1 19 19 LEU HA H 19 3.750 3.750 3.979 -0.229 19533 4680 1 12 . 1 1 19 19 LEU C C 19 177.580 177.580 178.204 -0.624 19533 4681 1 12 . 1 1 19 19 LEU CA C 19 57.950 57.950 57.690 0.260 19533 4682 1 12 . 1 1 19 19 LEU CB C 19 42.100 42.100 41.538 0.562 19533 4683 1 12 . 1 1 19 19 LEU H H 19 7.780 7.780 7.715 0.065 19533 4684 1 12 . 1 1 20 20 ASP N N 20 119.750 119.750 120.088 -0.338 19533 4685 1 12 . 1 1 20 20 ASP HA H 20 4.490 4.490 4.345 0.145 19533 4686 1 12 . 1 1 20 20 ASP C C 20 179.450 179.450 179.028 0.422 19533 4687 1 12 . 1 1 20 20 ASP CA C 20 58.070 58.070 57.667 0.403 19533 4688 1 12 . 1 1 20 20 ASP CB C 20 40.130 40.130 40.130 0.000 19533 4689 1 12 . 1 1 20 20 ASP H H 20 8.150 8.150 8.523 -0.373 19533 4690 1 12 . 1 1 21 21 GLU N N 21 120.710 120.710 119.572 1.138 19533 4691 1 12 . 1 1 21 21 GLU HA H 21 4.080 4.080 4.110 -0.030 19533 4692 1 12 . 1 1 21 21 GLU C C 21 179.370 179.370 179.018 0.352 19533 4693 1 12 . 1 1 21 21 GLU CA C 21 59.210 59.210 59.075 0.135 19533 4694 1 12 . 1 1 21 21 GLU CB C 21 29.650 29.650 29.219 0.431 19533 4695 1 12 . 1 1 21 21 GLU H H 21 8.050 8.050 7.967 0.083 19533 4696 1 12 . 1 1 22 22 SER N N 22 116.150 116.150 115.748 0.402 19533 4697 1 12 . 1 1 22 22 SER HA H 22 4.090 4.090 4.042 0.048 19533 4698 1 12 . 1 1 22 22 SER C C 22 175.000 175.000 176.298 -1.298 19533 4699 1 12 . 1 1 22 22 SER CA C 22 62.900 62.900 61.912 0.988 19533 4700 1 12 . 1 1 22 22 SER CB C 22 62.900 62.900 62.799 0.101 19533 4701 1 12 . 1 1 22 22 SER H H 22 7.950 7.950 7.802 0.148 19533 4702 1 12 . 1 1 23 23 ALA N N 23 123.240 123.240 123.533 -0.293 19533 4703 1 12 . 1 1 23 23 ALA HA H 23 3.760 3.760 4.127 -0.367 19533 4704 1 12 . 1 1 23 23 ALA C C 23 178.540 178.540 179.089 -0.549 19533 4705 1 12 . 1 1 23 23 ALA CA C 23 55.190 55.190 55.014 0.176 19533 4706 1 12 . 1 1 23 23 ALA CB C 23 17.870 17.870 18.249 -0.379 19533 4707 1 12 . 1 1 23 23 ALA H H 23 8.560 8.560 7.960 0.600 19533 4708 1 12 . 1 1 24 24 LYS N N 24 116.780 116.780 119.289 -2.509 19533 4709 1 12 . 1 1 24 24 LYS HA H 24 3.840 3.840 3.955 -0.115 19533 4710 1 12 . 1 1 24 24 LYS C C 24 178.720 178.720 178.762 -0.042 19533 4711 1 12 . 1 1 24 24 LYS CA C 24 59.940 59.940 59.862 0.078 19533 4712 1 12 . 1 1 24 24 LYS CB C 24 32.250 32.250 32.320 -0.070 19533 4713 1 12 . 1 1 24 24 LYS H H 24 7.750 7.750 7.956 -0.206 19533 4714 1 12 . 1 1 25 25 LYS N N 25 118.950 118.950 118.695 0.255 19533 4715 1 12 . 1 1 25 25 LYS HA H 25 4.040 4.040 4.083 -0.043 19533 4716 1 12 . 1 1 25 25 LYS C C 25 178.720 178.720 179.241 -0.521 19533 4717 1 12 . 1 1 25 25 LYS CA C 25 59.000 59.000 59.559 -0.559 19533 4718 1 12 . 1 1 25 25 LYS CB C 25 32.120 32.120 32.411 -0.291 19533 4719 1 12 . 1 1 25 25 LYS H H 25 7.580 7.580 7.794 -0.214 19533 4720 1 12 . 1 1 26 26 ILE N N 26 118.310 118.310 120.381 -2.071 19533 4721 1 12 . 1 1 26 26 ILE HA H 26 3.470 3.470 3.632 -0.162 19533 4722 1 12 . 1 1 26 26 ILE CA C 26 65.060 65.060 65.365 -0.306 19533 4723 1 12 . 1 1 26 26 ILE CB C 26 36.720 36.720 37.758 -1.038 19533 4724 1 12 . 1 1 26 26 ILE H H 26 7.610 7.610 7.650 -0.040 19533 4725 1 12 . 1 1 27 27 VAL N N 27 118.900 118.900 121.038 -2.138 19533 4726 1 12 . 1 1 27 27 VAL HA H 27 3.390 3.390 3.523 -0.133 19533 4727 1 12 . 1 1 27 27 VAL C C 27 177.550 177.550 178.116 -0.566 19533 4728 1 12 . 1 1 27 27 VAL CA C 27 67.630 67.630 67.338 0.292 19533 4729 1 12 . 1 1 27 27 VAL CB C 27 31.420 31.420 31.066 0.354 19533 4730 1 12 . 1 1 27 27 VAL H H 27 7.950 7.950 8.647 -0.697 19533 4731 1 12 . 1 1 28 28 GLU N N 28 118.800 118.800 120.566 -1.766 19533 4732 1 12 . 1 1 28 28 GLU HA H 28 3.980 3.980 4.035 -0.055 19533 4733 1 12 . 1 1 28 28 GLU C C 28 180.130 180.130 179.397 0.733 19533 4734 1 12 . 1 1 28 28 GLU CA C 28 59.740 59.740 60.036 -0.296 19533 4735 1 12 . 1 1 28 28 GLU CB C 28 29.380 29.380 29.718 -0.338 19533 4736 1 12 . 1 1 28 28 GLU H H 28 8.180 8.180 8.284 -0.104 19533 4737 1 12 . 1 1 29 29 VAL N N 29 120.730 120.730 119.914 0.816 19533 4738 1 12 . 1 1 29 29 VAL HA H 29 3.710 3.710 3.670 0.040 19533 4739 1 12 . 1 1 29 29 VAL C C 29 179.240 179.240 177.908 1.332 19533 4740 1 12 . 1 1 29 29 VAL CA C 29 66.290 66.290 65.711 0.579 19533 4741 1 12 . 1 1 29 29 VAL CB C 29 31.420 31.420 31.739 -0.319 19533 4742 1 12 . 1 1 29 29 VAL H H 29 8.120 8.120 8.113 0.007 19533 4743 1 12 . 1 1 30 30 ALA N N 30 123.770 123.770 122.312 1.458 19533 4744 1 12 . 1 1 30 30 ALA HA H 30 3.880 3.880 4.048 -0.168 19533 4745 1 12 . 1 1 30 30 ALA C C 30 179.630 179.630 179.701 -0.071 19533 4746 1 12 . 1 1 30 30 ALA CA C 30 55.560 55.560 55.085 0.475 19533 4747 1 12 . 1 1 30 30 ALA CB C 30 18.000 18.000 18.304 -0.304 19533 4748 1 12 . 1 1 30 30 ALA H H 30 8.310 8.310 8.541 -0.231 19533 4749 1 12 . 1 1 31 31 LYS N N 31 118.260 118.260 118.538 -0.278 19533 4750 1 12 . 1 1 31 31 LYS HA H 31 4.200 4.200 4.005 0.195 19533 4751 1 12 . 1 1 31 31 LYS C C 31 180.710 180.710 177.788 2.922 19533 4752 1 12 . 1 1 31 31 LYS CA C 31 59.910 59.910 58.860 1.050 19533 4753 1 12 . 1 1 31 31 LYS CB C 31 32.270 32.270 32.296 -0.026 19533 4754 1 12 . 1 1 31 31 LYS H H 31 8.710 8.710 8.428 0.282 19533 4755 1 12 . 1 1 32 32 SER N N 32 115.760 115.760 111.417 4.343 19533 4756 1 12 . 1 1 32 32 SER HA H 32 4.380 4.380 4.294 0.086 19533 4757 1 12 . 1 1 32 32 SER C C 32 175.120 175.120 175.247 -0.127 19533 4758 1 12 . 1 1 32 32 SER CA C 32 61.300 61.300 60.063 1.237 19533 4759 1 12 . 1 1 32 32 SER CB C 32 63.220 63.220 63.563 -0.343 19533 4760 1 12 . 1 1 32 32 SER H H 32 8.310 8.310 7.803 0.507 19533 4761 1 12 . 1 1 33 33 THR N N 33 108.990 108.990 114.345 -5.355 19533 4762 1 12 . 1 1 33 33 THR HA H 33 4.490 4.490 4.441 0.049 19533 4763 1 12 . 1 1 33 33 THR C C 33 173.390 173.390 174.903 -1.513 19533 4764 1 12 . 1 1 33 33 THR CA C 33 60.910 60.910 62.045 -1.135 19533 4765 1 12 . 1 1 33 33 THR CB C 33 68.860 68.860 70.219 -1.359 19533 4766 1 12 . 1 1 33 33 THR H H 33 7.330 7.330 7.521 -0.191 19533 4767 1 12 . 1 1 34 34 ASN N N 34 115.250 115.250 119.014 -3.764 19533 4768 1 12 . 1 1 34 34 ASN HA H 34 4.450 4.450 4.537 -0.087 19533 4769 1 12 . 1 1 34 34 ASN C C 34 174.490 174.490 176.057 -1.567 19533 4770 1 12 . 1 1 34 34 ASN CA C 34 54.800 54.800 54.602 0.198 19533 4771 1 12 . 1 1 34 34 ASN CB C 34 37.160 37.160 38.357 -1.197 19533 4772 1 12 . 1 1 34 34 ASN H H 34 7.910 7.910 8.727 -0.817 19533 4773 1 12 . 1 1 35 35 SER N N 35 113.160 113.160 114.996 -1.836 19533 4774 1 12 . 1 1 35 35 SER HA H 35 4.830 4.830 4.381 0.449 19533 4775 1 12 . 1 1 35 35 SER C C 35 173.250 173.250 173.239 0.011 19533 4776 1 12 . 1 1 35 35 SER CA C 35 58.550 58.550 58.654 -0.104 19533 4777 1 12 . 1 1 35 35 SER CB C 35 64.910 64.910 64.522 0.388 19533 4778 1 12 . 1 1 35 35 SER H H 35 7.800 7.800 7.864 -0.064 19533 4779 1 12 . 1 1 36 36 LYS N N 36 123.770 123.770 121.614 2.156 19533 4780 1 12 . 1 1 36 36 LYS HA H 36 4.420 4.420 4.643 -0.223 19533 4781 1 12 . 1 1 36 36 LYS C C 36 175.270 175.270 174.491 0.779 19533 4782 1 12 . 1 1 36 36 LYS CA C 36 56.290 56.290 55.214 1.077 19533 4783 1 12 . 1 1 36 36 LYS CB C 36 33.390 33.390 36.080 -2.689 19533 4784 1 12 . 1 1 36 36 LYS H H 36 8.390 8.390 8.085 0.305 19533 4785 1 12 . 1 1 37 37 VAL N N 37 119.710 119.710 124.385 -4.675 19533 4786 1 12 . 1 1 37 37 VAL HA H 37 5.010 5.010 4.785 0.225 19533 4787 1 12 . 1 1 37 37 VAL C C 37 175.120 175.120 174.594 0.526 19533 4788 1 12 . 1 1 37 37 VAL CA C 37 59.800 59.800 59.760 0.040 19533 4789 1 12 . 1 1 37 37 VAL CB C 37 35.260 35.260 34.726 0.534 19533 4790 1 12 . 1 1 37 37 VAL H H 37 8.130 8.130 8.457 -0.327 19533 4791 1 12 . 1 1 38 38 SER N N 38 121.650 121.650 122.147 -0.497 19533 4792 1 12 . 1 1 38 38 SER HA H 38 4.810 4.810 4.828 -0.018 19533 4793 1 12 . 1 1 38 38 SER C C 38 173.290 173.290 173.148 0.142 19533 4794 1 12 . 1 1 38 38 SER CA C 38 56.930 56.930 56.756 0.174 19533 4795 1 12 . 1 1 38 38 SER CB C 38 64.420 64.420 65.017 -0.597 19533 4796 1 12 . 1 1 38 38 SER H H 38 9.060 9.060 9.194 -0.134 19533 4797 1 12 . 1 1 39 39 GLY N N 39 112.740 112.740 112.832 -0.092 19533 4798 1 12 . 1 1 39 39 GLY CA C 39 43.180 43.180 44.654 -1.474 19533 4799 1 12 . 1 1 39 39 GLY H H 39 8.430 8.430 8.265 0.165 19533 4800 1 12 . 1 1 40 40 PRO HA H 40 4.760 4.760 4.482 0.278 19533 4801 1 12 . 1 1 40 40 PRO C C 40 175.760 175.760 175.901 -0.141 19533 4802 1 12 . 1 1 40 40 PRO CA C 40 61.350 61.350 62.736 -1.386 19533 4803 1 12 . 1 1 40 40 PRO CB C 40 34.780 34.780 32.499 2.281 19533 4804 1 12 . 1 1 41 41 ILE N N 41 125.440 125.440 124.200 1.240 19533 4805 1 12 . 1 1 41 41 ILE HA H 41 4.750 4.750 4.450 0.300 19533 4806 1 12 . 1 1 41 41 ILE CA C 41 57.700 57.700 58.713 -1.013 19533 4807 1 12 . 1 1 41 41 ILE CB C 41 40.570 40.570 37.747 2.823 19533 4808 1 12 . 1 1 41 41 ILE H H 41 9.560 9.560 8.998 0.562 19533 4809 1 12 . 1 1 42 42 PRO HA H 42 4.820 4.820 4.553 0.267 19533 4810 1 12 . 1 1 42 42 PRO C C 42 175.600 175.600 175.906 -0.306 19533 4811 1 12 . 1 1 42 42 PRO CA C 42 62.720 62.720 62.769 -0.049 19533 4812 1 12 . 1 1 42 42 PRO CB C 42 31.740 31.740 32.317 -0.577 19533 4813 1 12 . 1 1 43 43 LEU N N 43 123.010 123.010 124.741 -1.731 19533 4814 1 12 . 1 1 43 43 LEU HA H 43 4.830 4.830 4.880 -0.050 19533 4815 1 12 . 1 1 43 43 LEU CA C 43 51.960 51.960 51.562 0.398 19533 4816 1 12 . 1 1 43 43 LEU CB C 43 42.460 42.460 43.505 -1.045 19533 4817 1 12 . 1 1 43 43 LEU H H 43 7.230 7.230 8.114 -0.884 19533 4818 1 12 . 1 1 44 44 PRO HA H 44 4.370 4.370 4.490 -0.120 19533 4819 1 12 . 1 1 44 44 PRO C C 44 176.620 176.620 175.877 0.743 19533 4820 1 12 . 1 1 44 44 PRO CA C 44 63.660 63.660 62.891 0.769 19533 4821 1 12 . 1 1 44 44 PRO CB C 44 31.780 31.780 31.991 -0.211 19533 4822 1 12 . 1 1 45 45 THR N N 45 121.280 121.280 118.168 3.112 19533 4823 1 12 . 1 1 45 45 THR HA H 45 4.380 4.380 4.333 0.047 19533 4824 1 12 . 1 1 45 45 THR CA C 45 63.240 63.240 63.170 0.070 19533 4825 1 12 . 1 1 45 45 THR CB C 45 69.520 69.520 69.541 -0.021 19533 4826 1 12 . 1 1 45 45 THR H H 45 8.360 8.360 8.160 0.200 19533 4827 1 12 . 1 1 46 46 GLU C C 46 176.830 176.830 176.523 0.307 19533 4828 1 12 . 1 1 46 46 GLU CB C 46 24.950 24.950 31.707 -6.757 19533 4829 1 12 . 1 1 47 47 SER N N 47 121.430 121.430 121.683 -0.253 19533 4830 1 12 . 1 1 47 47 SER HA H 47 4.910 4.910 3.992 0.918 19533 4831 1 12 . 1 1 47 47 SER CA C 47 55.810 55.810 60.558 -4.748 19533 4832 1 12 . 1 1 47 47 SER CB C 47 64.100 64.100 62.156 1.944 19533 4833 1 12 . 1 1 47 47 SER H H 47 7.820 7.820 9.055 -1.235 19533 4834 1 12 . 1 1 48 48 ARG HA H 48 3.650 3.650 4.478 -0.828 19533 4835 1 12 . 1 1 48 48 ARG C C 48 173.650 173.650 174.144 -0.494 19533 4836 1 12 . 1 1 48 48 ARG CA C 48 58.000 58.000 55.393 2.607 19533 4837 1 12 . 1 1 48 48 ARG CB C 48 28.170 28.170 32.123 -3.953 19533 4838 1 12 . 1 1 49 49 VAL N N 49 119.480 119.480 119.935 -0.455 19533 4839 1 12 . 1 1 49 49 VAL HA H 49 3.530 3.530 4.495 -0.965 19533 4840 1 12 . 1 1 49 49 VAL C C 49 174.680 174.680 174.240 0.440 19533 4841 1 12 . 1 1 49 49 VAL CA C 49 62.880 62.880 61.066 1.815 19533 4842 1 12 . 1 1 49 49 VAL CB C 49 32.030 32.030 34.478 -2.448 19533 4843 1 12 . 1 1 49 49 VAL H H 49 7.700 7.700 8.583 -0.883 19533 4844 1 12 . 1 1 50 50 HIS N N 50 128.530 128.530 125.667 2.863 19533 4845 1 12 . 1 1 50 50 HIS HA H 50 4.720 4.720 4.828 -0.108 19533 4846 1 12 . 1 1 50 50 HIS C C 50 175.470 175.470 174.043 1.427 19533 4847 1 12 . 1 1 50 50 HIS CA C 50 55.380 55.380 55.714 -0.334 19533 4848 1 12 . 1 1 50 50 HIS CB C 50 32.950 32.950 32.032 0.918 19533 4849 1 12 . 1 1 50 50 HIS H H 50 8.350 8.350 8.914 -0.564 19533 4850 1 12 . 1 1 51 51 LYS N N 51 117.460 117.460 120.611 -3.151 19533 4851 1 12 . 1 1 51 51 LYS HA H 51 5.770 5.770 5.540 0.230 19533 4852 1 12 . 1 1 51 51 LYS C C 51 177.900 177.900 175.395 2.505 19533 4853 1 12 . 1 1 51 51 LYS CA C 51 55.210 55.210 55.096 0.114 19533 4854 1 12 . 1 1 51 51 LYS CB C 51 39.360 39.360 35.558 3.802 19533 4855 1 12 . 1 1 51 51 LYS H H 51 8.940 8.940 8.721 0.219 19533 4856 1 12 . 1 1 52 52 ARG N N 52 120.830 120.830 122.233 -1.403 19533 4857 1 12 . 1 1 52 52 ARG HA H 52 5.240 5.240 5.089 0.151 19533 4858 1 12 . 1 1 52 52 ARG C C 52 173.860 173.860 174.315 -0.455 19533 4859 1 12 . 1 1 52 52 ARG CA C 52 53.070 53.070 54.826 -1.756 19533 4860 1 12 . 1 1 52 52 ARG CB C 52 34.830 34.830 34.167 0.663 19533 4861 1 12 . 1 1 52 52 ARG H H 52 8.990 8.990 8.778 0.212 19533 4862 1 12 . 1 1 53 53 LEU N N 53 122.250 122.250 123.146 -0.896 19533 4863 1 12 . 1 1 53 53 LEU HA H 53 5.440 5.440 5.572 -0.132 19533 4864 1 12 . 1 1 53 53 LEU C C 53 176.140 176.140 175.698 0.442 19533 4865 1 12 . 1 1 53 53 LEU CA C 53 53.800 53.800 53.871 -0.071 19533 4866 1 12 . 1 1 53 53 LEU CB C 53 46.410 46.410 45.297 1.113 19533 4867 1 12 . 1 1 53 53 LEU H H 53 8.880 8.880 9.034 -0.154 19533 4868 1 12 . 1 1 54 54 ILE N N 54 124.790 124.790 122.543 2.247 19533 4869 1 12 . 1 1 54 54 ILE HA H 54 4.420 4.420 4.553 -0.133 19533 4870 1 12 . 1 1 54 54 ILE C C 54 173.160 173.160 174.796 -1.636 19533 4871 1 12 . 1 1 54 54 ILE CA C 54 61.420 61.420 60.202 1.218 19533 4872 1 12 . 1 1 54 54 ILE CB C 54 43.480 43.480 40.676 2.804 19533 4873 1 12 . 1 1 54 54 ILE H H 54 9.280 9.280 8.987 0.293 19533 4874 1 12 . 1 1 55 55 ASP N N 55 126.260 126.260 127.602 -1.342 19533 4875 1 12 . 1 1 55 55 ASP HA H 55 5.800 5.800 5.247 0.553 19533 4876 1 12 . 1 1 55 55 ASP C C 55 175.300 175.300 175.586 -0.286 19533 4877 1 12 . 1 1 55 55 ASP CA C 55 53.120 53.120 53.184 -0.065 19533 4878 1 12 . 1 1 55 55 ASP CB C 55 43.530 43.530 42.743 0.787 19533 4879 1 12 . 1 1 55 55 ASP H H 55 8.560 8.560 8.755 -0.195 19533 4880 1 12 . 1 1 56 56 ILE N N 56 122.260 122.260 121.669 0.591 19533 4881 1 12 . 1 1 56 56 ILE HA H 56 4.620 4.620 4.560 0.060 19533 4882 1 12 . 1 1 56 56 ILE C C 56 174.610 174.610 174.822 -0.212 19533 4883 1 12 . 1 1 56 56 ILE CA C 56 60.160 60.160 60.376 -0.216 19533 4884 1 12 . 1 1 56 56 ILE CB C 56 38.520 38.520 40.979 -2.459 19533 4885 1 12 . 1 1 56 56 ILE H H 56 9.100 9.100 8.711 0.389 19533 4886 1 12 . 1 1 57 57 ILE N N 57 128.860 128.860 125.059 3.801 19533 4887 1 12 . 1 1 57 57 ILE HA H 57 4.200 4.200 4.445 -0.245 19533 4888 1 12 . 1 1 57 57 ILE C C 57 174.350 174.350 175.455 -1.105 19533 4889 1 12 . 1 1 57 57 ILE CA C 57 60.810 60.810 60.014 0.797 19533 4890 1 12 . 1 1 57 57 ILE CB C 57 39.300 39.300 40.886 -1.585 19533 4891 1 12 . 1 1 57 57 ILE H H 57 8.480 8.480 9.260 -0.780 19533 4892 1 12 . 1 1 58 58 ASP N N 58 122.140 122.140 123.686 -1.546 19533 4893 1 12 . 1 1 58 58 ASP HA H 58 4.450 4.450 4.396 0.054 19533 4894 1 12 . 1 1 58 58 ASP CA C 58 55.110 55.110 54.571 0.539 19533 4895 1 12 . 1 1 58 58 ASP CB C 58 39.500 39.500 40.465 -0.965 19533 4896 1 12 . 1 1 58 58 ASP H H 58 8.760 8.760 8.299 0.461 19533 4897 1 12 . 1 1 59 59 PRO HA H 59 4.430 4.430 4.379 0.051 19533 4898 1 12 . 1 1 59 59 PRO C C 59 176.690 176.690 176.344 0.346 19533 4899 1 12 . 1 1 59 59 PRO CA C 59 62.260 62.260 62.968 -0.708 19533 4900 1 12 . 1 1 59 59 PRO CB C 59 31.590 31.590 32.438 -0.848 19533 4901 1 12 . 1 1 60 60 SER N N 60 117.890 117.890 117.846 0.044 19533 4902 1 12 . 1 1 60 60 SER HA H 60 4.920 4.920 4.844 0.076 19533 4903 1 12 . 1 1 60 60 SER CA C 60 56.020 56.020 55.691 0.329 19533 4904 1 12 . 1 1 60 60 SER CB C 60 64.140 64.140 63.971 0.169 19533 4905 1 12 . 1 1 60 60 SER H H 60 8.050 8.050 7.731 0.319 19533 4906 1 12 . 1 1 61 61 PRO HA H 61 4.240 4.240 4.341 -0.101 19533 4907 1 12 . 1 1 61 61 PRO CA C 61 66.000 66.000 64.916 1.084 19533 4908 1 12 . 1 1 61 61 PRO CB C 61 32.100 32.100 31.830 0.270 19533 4909 1 12 . 1 1 62 62 LYS HA H 62 4.150 4.150 4.171 -0.021 19533 4910 1 12 . 1 1 62 62 LYS C C 62 179.040 179.040 178.874 0.166 19533 4911 1 12 . 1 1 62 62 LYS CA C 62 58.690 58.690 59.500 -0.810 19533 4912 1 12 . 1 1 62 62 LYS CB C 62 32.330 32.330 31.909 0.421 19533 4913 1 12 . 1 1 63 63 THR N N 63 118.760 118.760 116.599 2.161 19533 4914 1 12 . 1 1 63 63 THR HA H 63 3.880 3.880 4.113 -0.233 19533 4915 1 12 . 1 1 63 63 THR C C 63 175.480 175.480 176.034 -0.554 19533 4916 1 12 . 1 1 63 63 THR CA C 63 66.680 66.680 67.184 -0.504 19533 4917 1 12 . 1 1 63 63 THR CB C 63 68.380 68.380 68.671 -0.292 19533 4918 1 12 . 1 1 63 63 THR H H 63 7.940 7.940 7.450 0.490 19533 4919 1 12 . 1 1 64 64 ILE N N 64 119.800 119.800 121.881 -2.081 19533 4920 1 12 . 1 1 64 64 ILE HA H 64 3.460 3.460 3.563 -0.103 19533 4921 1 12 . 1 1 64 64 ILE C C 64 176.830 176.830 177.383 -0.553 19533 4922 1 12 . 1 1 64 64 ILE CA C 64 65.180 65.180 65.333 -0.153 19533 4923 1 12 . 1 1 64 64 ILE CB C 64 36.720 36.720 37.583 -0.863 19533 4924 1 12 . 1 1 64 64 ILE H H 64 7.620 7.620 7.380 0.240 19533 4925 1 12 . 1 1 65 65 ASP N N 65 118.090 118.090 119.790 -1.700 19533 4926 1 12 . 1 1 65 65 ASP HA H 65 4.220 4.220 4.291 -0.071 19533 4927 1 12 . 1 1 65 65 ASP C C 65 177.620 177.620 178.491 -0.871 19533 4928 1 12 . 1 1 65 65 ASP CA C 65 57.910 57.910 57.230 0.680 19533 4929 1 12 . 1 1 65 65 ASP CB C 65 42.150 42.150 40.019 2.131 19533 4930 1 12 . 1 1 65 65 ASP H H 65 7.790 7.790 7.796 -0.006 19533 4931 1 12 . 1 1 66 66 ALA N N 66 118.370 118.370 121.931 -3.561 19533 4932 1 12 . 1 1 66 66 ALA HA H 66 3.950 3.950 4.062 -0.112 19533 4933 1 12 . 1 1 66 66 ALA C C 66 181.140 181.140 179.736 1.404 19533 4934 1 12 . 1 1 66 66 ALA CA C 66 54.970 54.970 54.888 0.082 19533 4935 1 12 . 1 1 66 66 ALA CB C 66 18.670 18.670 18.485 0.184 19533 4936 1 12 . 1 1 66 66 ALA H H 66 7.620 7.620 7.579 0.041 19533 4937 1 12 . 1 1 67 67 LEU N N 67 118.030 118.030 118.279 -0.249 19533 4938 1 12 . 1 1 67 67 LEU HA H 67 3.950 3.950 4.054 -0.104 19533 4939 1 12 . 1 1 67 67 LEU C C 67 178.210 178.210 178.048 0.162 19533 4940 1 12 . 1 1 67 67 LEU CA C 67 57.420 57.420 57.660 -0.240 19533 4941 1 12 . 1 1 67 67 LEU CB C 67 42.100 42.100 42.088 0.012 19533 4942 1 12 . 1 1 67 67 LEU H H 67 8.180 8.180 7.518 0.662 19533 4943 1 12 . 1 1 68 68 MET N N 68 114.280 114.280 115.795 -1.515 19533 4944 1 12 . 1 1 68 68 MET HA H 68 4.260 4.260 4.151 0.109 19533 4945 1 12 . 1 1 68 68 MET C C 68 177.050 177.050 178.269 -1.219 19533 4946 1 12 . 1 1 68 68 MET CA C 68 56.990 56.990 57.974 -0.984 19533 4947 1 12 . 1 1 68 68 MET CB C 68 32.390 32.390 32.447 -0.057 19533 4948 1 12 . 1 1 68 68 MET H H 68 7.770 7.770 7.447 0.323 19533 4949 1 12 . 1 1 69 69 ARG N N 69 115.480 115.480 117.463 -1.983 19533 4950 1 12 . 1 1 69 69 ARG HA H 69 4.410 4.410 4.256 0.154 19533 4951 1 12 . 1 1 69 69 ARG C C 69 176.480 176.480 177.038 -0.558 19533 4952 1 12 . 1 1 69 69 ARG CA C 69 55.560 55.560 57.957 -2.397 19533 4953 1 12 . 1 1 69 69 ARG CB C 69 30.970 30.970 31.084 -0.114 19533 4954 1 12 . 1 1 69 69 ARG H H 69 7.180 7.180 7.463 -0.283 19533 4955 1 12 . 1 1 70 70 ILE N N 70 119.930 119.930 120.042 -0.112 19533 4956 1 12 . 1 1 70 70 ILE HA H 70 3.930 3.930 4.135 -0.205 19533 4957 1 12 . 1 1 70 70 ILE CA C 70 62.270 62.270 60.598 1.672 19533 4958 1 12 . 1 1 70 70 ILE CB C 70 39.050 39.050 39.171 -0.121 19533 4959 1 12 . 1 1 70 70 ILE H H 70 7.070 7.070 7.440 -0.370 19533 4960 1 12 . 1 1 71 71 ASN HA H 71 4.860 4.860 4.935 -0.075 19533 4961 1 12 . 1 1 71 71 ASN C C 71 174.190 174.190 175.300 -1.110 19533 4962 1 12 . 1 1 71 71 ASN CA C 71 52.330 52.330 51.654 0.676 19533 4963 1 12 . 1 1 71 71 ASN CB C 71 39.180 39.180 39.859 -0.679 19533 4964 1 12 . 1 1 72 72 LEU N N 72 125.700 125.700 121.611 4.089 19533 4965 1 12 . 1 1 72 72 LEU HA H 72 4.610 4.610 4.465 0.145 19533 4966 1 12 . 1 1 72 72 LEU CA C 72 52.410 52.410 53.787 -1.377 19533 4967 1 12 . 1 1 72 72 LEU CB C 72 41.670 41.670 41.031 0.639 19533 4968 1 12 . 1 1 72 72 LEU H H 72 8.440 8.440 8.258 0.182 19533 4969 1 12 . 1 1 73 73 PRO HA H 73 4.420 4.420 4.462 -0.042 19533 4970 1 12 . 1 1 73 73 PRO C C 73 176.110 176.110 176.457 -0.347 19533 4971 1 12 . 1 1 73 73 PRO CA C 73 62.240 62.240 62.347 -0.107 19533 4972 1 12 . 1 1 73 73 PRO CB C 73 32.450 32.450 32.408 0.042 19533 4973 1 12 . 1 1 74 74 ALA N N 74 123.290 123.290 123.526 -0.236 19533 4974 1 12 . 1 1 74 74 ALA HA H 74 4.170 4.170 4.087 0.083 19533 4975 1 12 . 1 1 74 74 ALA C C 74 178.430 178.430 178.771 -0.341 19533 4976 1 12 . 1 1 74 74 ALA CA C 74 53.550 53.550 53.189 0.361 19533 4977 1 12 . 1 1 74 74 ALA CB C 74 18.300 18.300 18.827 -0.527 19533 4978 1 12 . 1 1 74 74 ALA H H 74 8.160 8.160 8.245 -0.085 19533 4979 1 12 . 1 1 75 75 GLY N N 75 106.750 106.750 108.516 -1.766 19533 4980 1 12 . 1 1 75 75 GLY C C 75 174.140 174.140 173.338 0.802 19533 4981 1 12 . 1 1 75 75 GLY CA C 75 45.020 45.020 45.414 -0.394 19533 4982 1 12 . 1 1 75 75 GLY H H 75 8.420 8.420 8.558 -0.138 19533 4983 1 12 . 1 1 76 76 VAL N N 76 120.550 120.550 119.277 1.273 19533 4984 1 12 . 1 1 76 76 VAL HA H 76 4.660 4.660 5.271 -0.611 19533 4985 1 12 . 1 1 76 76 VAL C C 76 174.120 174.120 174.536 -0.416 19533 4986 1 12 . 1 1 76 76 VAL CA C 76 61.070 61.070 60.939 0.131 19533 4987 1 12 . 1 1 76 76 VAL CB C 76 32.960 32.960 34.778 -1.817 19533 4988 1 12 . 1 1 76 76 VAL H H 76 7.460 7.460 7.364 0.096 19533 4989 1 12 . 1 1 77 77 ASP N N 77 128.070 128.070 123.908 4.162 19533 4990 1 12 . 1 1 77 77 ASP HA H 77 4.970 4.970 4.883 0.087 19533 4991 1 12 . 1 1 77 77 ASP C C 77 175.020 175.020 174.424 0.596 19533 4992 1 12 . 1 1 77 77 ASP CA C 77 53.550 53.550 52.386 1.164 19533 4993 1 12 . 1 1 77 77 ASP CB C 77 43.840 43.840 44.491 -0.651 19533 4994 1 12 . 1 1 77 77 ASP H H 77 8.950 8.950 8.500 0.450 19533 4995 1 12 . 1 1 78 78 VAL N N 78 122.000 122.000 120.933 1.067 19533 4996 1 12 . 1 1 78 78 VAL HA H 78 4.850 4.850 4.705 0.145 19533 4997 1 12 . 1 1 78 78 VAL C C 78 174.280 174.280 175.305 -1.025 19533 4998 1 12 . 1 1 78 78 VAL CA C 78 60.720 60.720 60.691 0.029 19533 4999 1 12 . 1 1 78 78 VAL CB C 78 34.600 34.600 35.301 -0.702 19533 5000 1 12 . 1 1 78 78 VAL H H 78 8.460 8.460 8.317 0.143 19533 5001 1 12 . 1 1 79 79 GLU N N 79 127.380 127.380 124.820 2.560 19533 5002 1 12 . 1 1 79 79 GLU CA C 79 54.800 54.800 55.560 -0.760 19533 5003 1 12 . 1 1 79 79 GLU CB C 79 33.610 33.610 30.524 3.086 19533 5004 1 12 . 1 1 79 79 GLU H H 79 8.820 8.820 8.536 0.284 19533 5005 1 13 . 1 1 3 3 GLY C C 3 174.400 174.400 176.312 -1.912 19533 5006 1 13 . 1 1 3 3 GLY CA C 3 45.570 45.570 45.077 0.493 19533 5007 1 13 . 1 1 4 4 GLY N N 4 109.110 109.110 107.683 1.427 19533 5008 1 13 . 1 1 4 4 GLY C C 4 174.070 174.070 174.390 -0.320 19533 5009 1 13 . 1 1 4 4 GLY CA C 4 45.410 45.410 45.475 -0.065 19533 5010 1 13 . 1 1 4 4 GLY H H 4 8.380 8.380 8.535 -0.155 19533 5011 1 13 . 1 1 5 5 GLN N N 5 119.810 119.810 118.918 0.892 19533 5012 1 13 . 1 1 5 5 GLN HA H 5 4.470 4.470 4.582 -0.112 19533 5013 1 13 . 1 1 5 5 GLN C C 5 174.980 174.980 174.673 0.307 19533 5014 1 13 . 1 1 5 5 GLN CA C 5 56.300 56.300 54.856 1.444 19533 5015 1 13 . 1 1 5 5 GLN CB C 5 30.080 30.080 30.587 -0.507 19533 5016 1 13 . 1 1 5 5 GLN H H 5 8.280 8.280 7.891 0.389 19533 5017 1 13 . 1 1 6 6 LYS N N 6 120.240 120.240 118.991 1.249 19533 5018 1 13 . 1 1 6 6 LYS HA H 6 5.080 5.080 4.934 0.146 19533 5019 1 13 . 1 1 6 6 LYS C C 6 175.110 175.110 175.199 -0.089 19533 5020 1 13 . 1 1 6 6 LYS CA C 6 55.330 55.330 54.609 0.721 19533 5021 1 13 . 1 1 6 6 LYS CB C 6 35.450 35.450 35.531 -0.081 19533 5022 1 13 . 1 1 6 6 LYS H H 6 8.080 8.080 8.298 -0.218 19533 5023 1 13 . 1 1 7 7 ILE N N 7 120.690 120.690 122.035 -1.345 19533 5024 1 13 . 1 1 7 7 ILE HA H 7 4.540 4.540 4.411 0.129 19533 5025 1 13 . 1 1 7 7 ILE C C 7 173.880 173.880 175.010 -1.130 19533 5026 1 13 . 1 1 7 7 ILE CA C 7 60.520 60.520 60.282 0.238 19533 5027 1 13 . 1 1 7 7 ILE CB C 7 40.830 40.830 40.856 -0.026 19533 5028 1 13 . 1 1 7 7 ILE H H 7 8.770 8.770 8.505 0.265 19533 5029 1 13 . 1 1 8 8 ARG N N 8 127.060 127.060 125.290 1.770 19533 5030 1 13 . 1 1 8 8 ARG HA H 8 5.330 5.330 5.424 -0.094 19533 5031 1 13 . 1 1 8 8 ARG C C 8 174.690 174.690 175.379 -0.689 19533 5032 1 13 . 1 1 8 8 ARG CA C 8 55.070 55.070 54.668 0.402 19533 5033 1 13 . 1 1 8 8 ARG CB C 8 32.370 32.370 33.334 -0.964 19533 5034 1 13 . 1 1 8 8 ARG H H 8 8.480 8.480 8.527 -0.047 19533 5035 1 13 . 1 1 9 9 ILE N N 9 127.670 127.670 123.362 4.308 19533 5036 1 13 . 1 1 9 9 ILE HA H 9 4.800 4.800 4.418 0.382 19533 5037 1 13 . 1 1 9 9 ILE C C 9 174.380 174.380 174.595 -0.215 19533 5038 1 13 . 1 1 9 9 ILE CA C 9 60.240 60.240 60.127 0.114 19533 5039 1 13 . 1 1 9 9 ILE CB C 9 39.860 39.860 41.927 -2.067 19533 5040 1 13 . 1 1 9 9 ILE H H 9 9.540 9.540 8.894 0.646 19533 5041 1 13 . 1 1 10 10 LYS N N 10 127.240 127.240 127.921 -0.681 19533 5042 1 13 . 1 1 10 10 LYS HA H 10 5.220 5.220 5.041 0.179 19533 5043 1 13 . 1 1 10 10 LYS C C 10 175.130 175.130 175.269 -0.139 19533 5044 1 13 . 1 1 10 10 LYS CA C 10 54.760 54.760 55.088 -0.328 19533 5045 1 13 . 1 1 10 10 LYS CB C 10 34.940 34.940 34.068 0.872 19533 5046 1 13 . 1 1 10 10 LYS H H 10 9.050 9.050 8.611 0.439 19533 5047 1 13 . 1 1 11 11 LEU N N 11 124.480 124.480 127.848 -3.368 19533 5048 1 13 . 1 1 11 11 LEU HA H 11 5.450 5.450 4.807 0.643 19533 5049 1 13 . 1 1 11 11 LEU C C 11 176.000 176.000 175.940 0.060 19533 5050 1 13 . 1 1 11 11 LEU CA C 11 53.320 53.320 53.808 -0.488 19533 5051 1 13 . 1 1 11 11 LEU CB C 11 46.960 46.960 43.118 3.841 19533 5052 1 13 . 1 1 11 11 LEU H H 11 8.790 8.790 8.967 -0.177 19533 5053 1 13 . 1 1 12 12 LYS N N 12 119.690 119.690 123.168 -3.478 19533 5054 1 13 . 1 1 12 12 LYS HA H 12 5.570 5.570 5.300 0.270 19533 5055 1 13 . 1 1 12 12 LYS C C 12 174.610 174.610 174.993 -0.383 19533 5056 1 13 . 1 1 12 12 LYS CA C 12 54.600 54.600 54.699 -0.099 19533 5057 1 13 . 1 1 12 12 LYS CB C 12 36.480 36.480 35.908 0.572 19533 5058 1 13 . 1 1 12 12 LYS H H 12 8.550 8.550 8.560 -0.010 19533 5059 1 13 . 1 1 13 13 ALA N N 13 120.780 120.780 125.445 -4.665 19533 5060 1 13 . 1 1 13 13 ALA HA H 13 4.720 4.720 4.774 -0.054 19533 5061 1 13 . 1 1 13 13 ALA C C 13 176.120 176.120 176.364 -0.244 19533 5062 1 13 . 1 1 13 13 ALA CA C 13 52.230 52.230 51.859 0.371 19533 5063 1 13 . 1 1 13 13 ALA CB C 13 24.780 24.780 21.806 2.974 19533 5064 1 13 . 1 1 13 13 ALA H H 13 8.740 8.740 8.073 0.667 19533 5065 1 13 . 1 1 14 14 TYR N N 14 117.810 117.810 121.394 -3.584 19533 5066 1 13 . 1 1 14 14 TYR HA H 14 4.920 4.920 4.397 0.523 19533 5067 1 13 . 1 1 14 14 TYR C C 14 175.960 175.960 176.271 -0.311 19533 5068 1 13 . 1 1 14 14 TYR CA C 14 59.790 59.790 61.001 -1.211 19533 5069 1 13 . 1 1 14 14 TYR CB C 14 38.840 38.840 38.862 -0.022 19533 5070 1 13 . 1 1 14 14 TYR H H 14 8.670 8.670 8.876 -0.206 19533 5071 1 13 . 1 1 15 15 ASP N N 15 118.650 118.650 117.668 0.982 19533 5072 1 13 . 1 1 15 15 ASP HA H 15 4.890 4.890 4.784 0.106 19533 5073 1 13 . 1 1 15 15 ASP C C 15 175.980 175.980 176.973 -0.993 19533 5074 1 13 . 1 1 15 15 ASP CA C 15 52.830 52.830 53.054 -0.224 19533 5075 1 13 . 1 1 15 15 ASP CB C 15 42.420 42.420 41.382 1.038 19533 5076 1 13 . 1 1 15 15 ASP H H 15 7.390 7.390 7.975 -0.585 19533 5077 1 13 . 1 1 16 16 HIS N N 16 124.080 124.080 125.413 -1.333 19533 5078 1 13 . 1 1 16 16 HIS HA H 16 3.830 3.830 4.165 -0.335 19533 5079 1 13 . 1 1 16 16 HIS C C 16 176.000 176.000 176.714 -0.714 19533 5080 1 13 . 1 1 16 16 HIS CA C 16 59.190 59.190 58.508 0.682 19533 5081 1 13 . 1 1 16 16 HIS CB C 16 29.030 29.030 28.810 0.220 19533 5082 1 13 . 1 1 16 16 HIS H H 16 8.190 8.190 8.789 -0.599 19533 5083 1 13 . 1 1 17 17 GLU N N 17 121.830 121.830 118.338 3.492 19533 5084 1 13 . 1 1 17 17 GLU HA H 17 4.040 4.040 3.729 0.311 19533 5085 1 13 . 1 1 17 17 GLU C C 17 179.540 179.540 178.095 1.445 19533 5086 1 13 . 1 1 17 17 GLU CA C 17 59.520 59.520 58.725 0.795 19533 5087 1 13 . 1 1 17 17 GLU CB C 17 29.020 29.020 28.833 0.187 19533 5088 1 13 . 1 1 17 17 GLU H H 17 7.740 7.740 7.172 0.568 19533 5089 1 13 . 1 1 18 18 LEU N N 18 121.120 121.120 120.326 0.794 19533 5090 1 13 . 1 1 18 18 LEU HA H 18 4.030 4.030 4.105 -0.075 19533 5091 1 13 . 1 1 18 18 LEU C C 18 180.600 180.600 178.465 2.135 19533 5092 1 13 . 1 1 18 18 LEU CA C 18 57.050 57.050 57.315 -0.265 19533 5093 1 13 . 1 1 18 18 LEU CB C 18 42.390 42.390 41.892 0.498 19533 5094 1 13 . 1 1 18 18 LEU H H 18 7.510 7.510 7.429 0.081 19533 5095 1 13 . 1 1 19 19 LEU N N 19 121.190 121.190 120.257 0.933 19533 5096 1 13 . 1 1 19 19 LEU HA H 19 3.750 3.750 3.951 -0.201 19533 5097 1 13 . 1 1 19 19 LEU C C 19 177.580 177.580 178.323 -0.743 19533 5098 1 13 . 1 1 19 19 LEU CA C 19 57.950 57.950 58.004 -0.054 19533 5099 1 13 . 1 1 19 19 LEU CB C 19 42.100 42.100 41.322 0.778 19533 5100 1 13 . 1 1 19 19 LEU H H 19 7.780 7.780 8.036 -0.256 19533 5101 1 13 . 1 1 20 20 ASP N N 20 119.750 119.750 119.082 0.668 19533 5102 1 13 . 1 1 20 20 ASP HA H 20 4.490 4.490 4.331 0.159 19533 5103 1 13 . 1 1 20 20 ASP C C 20 179.450 179.450 178.413 1.037 19533 5104 1 13 . 1 1 20 20 ASP CA C 20 58.070 58.070 57.735 0.335 19533 5105 1 13 . 1 1 20 20 ASP CB C 20 40.130 40.130 40.388 -0.258 19533 5106 1 13 . 1 1 20 20 ASP H H 20 8.150 8.150 7.925 0.225 19533 5107 1 13 . 1 1 21 21 GLU N N 21 120.710 120.710 119.538 1.172 19533 5108 1 13 . 1 1 21 21 GLU HA H 21 4.080 4.080 4.032 0.048 19533 5109 1 13 . 1 1 21 21 GLU C C 21 179.370 179.370 179.076 0.294 19533 5110 1 13 . 1 1 21 21 GLU CA C 21 59.210 59.210 59.608 -0.398 19533 5111 1 13 . 1 1 21 21 GLU CB C 21 29.650 29.650 29.501 0.149 19533 5112 1 13 . 1 1 21 21 GLU H H 21 8.050 8.050 7.562 0.488 19533 5113 1 13 . 1 1 22 22 SER N N 22 116.150 116.150 115.465 0.685 19533 5114 1 13 . 1 1 22 22 SER HA H 22 4.090 4.090 4.241 -0.151 19533 5115 1 13 . 1 1 22 22 SER C C 22 175.000 175.000 176.476 -1.476 19533 5116 1 13 . 1 1 22 22 SER CA C 22 62.900 62.900 61.531 1.369 19533 5117 1 13 . 1 1 22 22 SER CB C 22 62.900 62.900 62.612 0.288 19533 5118 1 13 . 1 1 22 22 SER H H 22 7.950 7.950 7.831 0.119 19533 5119 1 13 . 1 1 23 23 ALA N N 23 123.240 123.240 124.322 -1.082 19533 5120 1 13 . 1 1 23 23 ALA HA H 23 3.760 3.760 4.152 -0.392 19533 5121 1 13 . 1 1 23 23 ALA C C 23 178.540 178.540 179.161 -0.621 19533 5122 1 13 . 1 1 23 23 ALA CA C 23 55.190 55.190 55.120 0.070 19533 5123 1 13 . 1 1 23 23 ALA CB C 23 17.870 17.870 18.333 -0.463 19533 5124 1 13 . 1 1 23 23 ALA H H 23 8.560 8.560 7.861 0.699 19533 5125 1 13 . 1 1 24 24 LYS N N 24 116.780 116.780 119.266 -2.486 19533 5126 1 13 . 1 1 24 24 LYS HA H 24 3.840 3.840 3.957 -0.117 19533 5127 1 13 . 1 1 24 24 LYS C C 24 178.720 178.720 178.780 -0.060 19533 5128 1 13 . 1 1 24 24 LYS CA C 24 59.940 59.940 59.958 -0.018 19533 5129 1 13 . 1 1 24 24 LYS CB C 24 32.250 32.250 32.348 -0.098 19533 5130 1 13 . 1 1 24 24 LYS H H 24 7.750 7.750 8.373 -0.623 19533 5131 1 13 . 1 1 25 25 LYS N N 25 118.950 118.950 118.326 0.624 19533 5132 1 13 . 1 1 25 25 LYS HA H 25 4.040 4.040 4.091 -0.051 19533 5133 1 13 . 1 1 25 25 LYS C C 25 178.720 178.720 179.269 -0.549 19533 5134 1 13 . 1 1 25 25 LYS CA C 25 59.000 59.000 59.507 -0.507 19533 5135 1 13 . 1 1 25 25 LYS CB C 25 32.120 32.120 32.454 -0.334 19533 5136 1 13 . 1 1 25 25 LYS H H 25 7.580 7.580 7.659 -0.079 19533 5137 1 13 . 1 1 26 26 ILE N N 26 118.310 118.310 120.443 -2.133 19533 5138 1 13 . 1 1 26 26 ILE HA H 26 3.470 3.470 3.752 -0.282 19533 5139 1 13 . 1 1 26 26 ILE CA C 26 65.060 65.060 65.146 -0.086 19533 5140 1 13 . 1 1 26 26 ILE CB C 26 36.720 36.720 37.836 -1.116 19533 5141 1 13 . 1 1 26 26 ILE H H 26 7.610 7.610 7.696 -0.086 19533 5142 1 13 . 1 1 27 27 VAL N N 27 118.900 118.900 120.737 -1.837 19533 5143 1 13 . 1 1 27 27 VAL HA H 27 3.390 3.390 3.574 -0.184 19533 5144 1 13 . 1 1 27 27 VAL C C 27 177.550 177.550 178.204 -0.654 19533 5145 1 13 . 1 1 27 27 VAL CA C 27 67.630 67.630 66.372 1.258 19533 5146 1 13 . 1 1 27 27 VAL CB C 27 31.420 31.420 30.643 0.777 19533 5147 1 13 . 1 1 27 27 VAL H H 27 7.950 7.950 8.640 -0.690 19533 5148 1 13 . 1 1 28 28 GLU N N 28 118.800 118.800 120.374 -1.574 19533 5149 1 13 . 1 1 28 28 GLU HA H 28 3.980 3.980 3.989 -0.009 19533 5150 1 13 . 1 1 28 28 GLU C C 28 180.130 180.130 179.452 0.678 19533 5151 1 13 . 1 1 28 28 GLU CA C 28 59.740 59.740 60.010 -0.270 19533 5152 1 13 . 1 1 28 28 GLU CB C 28 29.380 29.380 29.559 -0.179 19533 5153 1 13 . 1 1 28 28 GLU H H 28 8.180 8.180 8.301 -0.121 19533 5154 1 13 . 1 1 29 29 VAL N N 29 120.730 120.730 119.835 0.895 19533 5155 1 13 . 1 1 29 29 VAL HA H 29 3.710 3.710 3.784 -0.074 19533 5156 1 13 . 1 1 29 29 VAL C C 29 179.240 179.240 177.838 1.402 19533 5157 1 13 . 1 1 29 29 VAL CA C 29 66.290 66.290 66.348 -0.058 19533 5158 1 13 . 1 1 29 29 VAL CB C 29 31.420 31.420 31.505 -0.085 19533 5159 1 13 . 1 1 29 29 VAL H H 29 8.120 8.120 7.813 0.307 19533 5160 1 13 . 1 1 30 30 ALA N N 30 123.770 123.770 122.932 0.838 19533 5161 1 13 . 1 1 30 30 ALA HA H 30 3.880 3.880 4.072 -0.192 19533 5162 1 13 . 1 1 30 30 ALA C C 30 179.630 179.630 179.951 -0.321 19533 5163 1 13 . 1 1 30 30 ALA CA C 30 55.560 55.560 54.997 0.563 19533 5164 1 13 . 1 1 30 30 ALA CB C 30 18.000 18.000 18.413 -0.413 19533 5165 1 13 . 1 1 30 30 ALA H H 30 8.310 8.310 8.459 -0.149 19533 5166 1 13 . 1 1 31 31 LYS N N 31 118.260 118.260 117.991 0.269 19533 5167 1 13 . 1 1 31 31 LYS HA H 31 4.200 4.200 4.098 0.102 19533 5168 1 13 . 1 1 31 31 LYS C C 31 180.710 180.710 178.562 2.148 19533 5169 1 13 . 1 1 31 31 LYS CA C 31 59.910 59.910 58.824 1.086 19533 5170 1 13 . 1 1 31 31 LYS CB C 31 32.270 32.270 32.403 -0.133 19533 5171 1 13 . 1 1 31 31 LYS H H 31 8.710 8.710 8.412 0.298 19533 5172 1 13 . 1 1 32 32 SER N N 32 115.760 115.760 112.858 2.902 19533 5173 1 13 . 1 1 32 32 SER HA H 32 4.380 4.380 4.314 0.066 19533 5174 1 13 . 1 1 32 32 SER C C 32 175.120 175.120 174.822 0.298 19533 5175 1 13 . 1 1 32 32 SER CA C 32 61.300 61.300 60.381 0.919 19533 5176 1 13 . 1 1 32 32 SER CB C 32 63.220 63.220 63.460 -0.240 19533 5177 1 13 . 1 1 32 32 SER H H 32 8.310 8.310 7.778 0.532 19533 5178 1 13 . 1 1 33 33 THR N N 33 108.990 108.990 116.988 -7.998 19533 5179 1 13 . 1 1 33 33 THR HA H 33 4.490 4.490 4.374 0.116 19533 5180 1 13 . 1 1 33 33 THR C C 33 173.390 173.390 174.018 -0.628 19533 5181 1 13 . 1 1 33 33 THR CA C 33 60.910 60.910 62.889 -1.979 19533 5182 1 13 . 1 1 33 33 THR CB C 33 68.860 68.860 69.713 -0.853 19533 5183 1 13 . 1 1 33 33 THR H H 33 7.330 7.330 7.427 -0.097 19533 5184 1 13 . 1 1 34 34 ASN N N 34 115.250 115.250 120.002 -4.752 19533 5185 1 13 . 1 1 34 34 ASN HA H 34 4.450 4.450 4.419 0.031 19533 5186 1 13 . 1 1 34 34 ASN C C 34 174.490 174.490 175.767 -1.277 19533 5187 1 13 . 1 1 34 34 ASN CA C 34 54.800 54.800 55.495 -0.695 19533 5188 1 13 . 1 1 34 34 ASN CB C 34 37.160 37.160 38.859 -1.699 19533 5189 1 13 . 1 1 34 34 ASN H H 34 7.910 7.910 8.632 -0.722 19533 5190 1 13 . 1 1 35 35 SER N N 35 113.160 113.160 114.063 -0.903 19533 5191 1 13 . 1 1 35 35 SER HA H 35 4.830 4.830 4.467 0.363 19533 5192 1 13 . 1 1 35 35 SER C C 35 173.250 173.250 174.110 -0.860 19533 5193 1 13 . 1 1 35 35 SER CA C 35 58.550 58.550 59.237 -0.687 19533 5194 1 13 . 1 1 35 35 SER CB C 35 64.910 64.910 63.834 1.076 19533 5195 1 13 . 1 1 35 35 SER H H 35 7.800 7.800 7.473 0.328 19533 5196 1 13 . 1 1 36 36 LYS N N 36 123.770 123.770 121.332 2.438 19533 5197 1 13 . 1 1 36 36 LYS HA H 36 4.420 4.420 4.616 -0.196 19533 5198 1 13 . 1 1 36 36 LYS C C 36 175.270 175.270 175.071 0.199 19533 5199 1 13 . 1 1 36 36 LYS CA C 36 56.290 56.290 55.306 0.984 19533 5200 1 13 . 1 1 36 36 LYS CB C 36 33.390 33.390 35.515 -2.125 19533 5201 1 13 . 1 1 36 36 LYS H H 36 8.390 8.390 7.908 0.482 19533 5202 1 13 . 1 1 37 37 VAL N N 37 119.710 119.710 121.947 -2.237 19533 5203 1 13 . 1 1 37 37 VAL HA H 37 5.010 5.010 4.750 0.260 19533 5204 1 13 . 1 1 37 37 VAL C C 37 175.120 175.120 175.238 -0.118 19533 5205 1 13 . 1 1 37 37 VAL CA C 37 59.800 59.800 60.428 -0.628 19533 5206 1 13 . 1 1 37 37 VAL CB C 37 35.260 35.260 34.250 1.010 19533 5207 1 13 . 1 1 37 37 VAL H H 37 8.130 8.130 8.424 -0.294 19533 5208 1 13 . 1 1 38 38 SER N N 38 121.650 121.650 119.657 1.993 19533 5209 1 13 . 1 1 38 38 SER HA H 38 4.810 4.810 4.825 -0.015 19533 5210 1 13 . 1 1 38 38 SER C C 38 173.290 173.290 173.269 0.021 19533 5211 1 13 . 1 1 38 38 SER CA C 38 56.930 56.930 56.672 0.258 19533 5212 1 13 . 1 1 38 38 SER CB C 38 64.420 64.420 64.307 0.113 19533 5213 1 13 . 1 1 38 38 SER H H 38 9.060 9.060 9.234 -0.174 19533 5214 1 13 . 1 1 39 39 GLY N N 39 112.740 112.740 112.809 -0.069 19533 5215 1 13 . 1 1 39 39 GLY CA C 39 43.180 43.180 44.602 -1.422 19533 5216 1 13 . 1 1 39 39 GLY H H 39 8.430 8.430 8.214 0.216 19533 5217 1 13 . 1 1 40 40 PRO HA H 40 4.760 4.760 4.436 0.324 19533 5218 1 13 . 1 1 40 40 PRO C C 40 175.760 175.760 175.802 -0.042 19533 5219 1 13 . 1 1 40 40 PRO CA C 40 61.350 61.350 63.145 -1.795 19533 5220 1 13 . 1 1 40 40 PRO CB C 40 34.780 34.780 32.651 2.129 19533 5221 1 13 . 1 1 41 41 ILE N N 41 125.440 125.440 124.706 0.734 19533 5222 1 13 . 1 1 41 41 ILE HA H 41 4.750 4.750 4.440 0.310 19533 5223 1 13 . 1 1 41 41 ILE CA C 41 57.700 57.700 58.926 -1.226 19533 5224 1 13 . 1 1 41 41 ILE CB C 41 40.570 40.570 38.064 2.506 19533 5225 1 13 . 1 1 41 41 ILE H H 41 9.560 9.560 8.954 0.606 19533 5226 1 13 . 1 1 42 42 PRO HA H 42 4.820 4.820 4.545 0.275 19533 5227 1 13 . 1 1 42 42 PRO C C 42 175.600 175.600 175.881 -0.281 19533 5228 1 13 . 1 1 42 42 PRO CA C 42 62.720 62.720 62.877 -0.157 19533 5229 1 13 . 1 1 42 42 PRO CB C 42 31.740 31.740 32.303 -0.563 19533 5230 1 13 . 1 1 43 43 LEU N N 43 123.010 123.010 125.028 -2.018 19533 5231 1 13 . 1 1 43 43 LEU HA H 43 4.830 4.830 4.850 -0.020 19533 5232 1 13 . 1 1 43 43 LEU CA C 43 51.960 51.960 51.670 0.290 19533 5233 1 13 . 1 1 43 43 LEU CB C 43 42.460 42.460 43.001 -0.541 19533 5234 1 13 . 1 1 43 43 LEU H H 43 7.230 7.230 8.072 -0.842 19533 5235 1 13 . 1 1 44 44 PRO HA H 44 4.370 4.370 4.530 -0.160 19533 5236 1 13 . 1 1 44 44 PRO C C 44 176.620 176.620 175.922 0.698 19533 5237 1 13 . 1 1 44 44 PRO CA C 44 63.660 63.660 62.831 0.829 19533 5238 1 13 . 1 1 44 44 PRO CB C 44 31.780 31.780 31.847 -0.067 19533 5239 1 13 . 1 1 45 45 THR N N 45 121.280 121.280 118.105 3.175 19533 5240 1 13 . 1 1 45 45 THR HA H 45 4.380 4.380 4.355 0.025 19533 5241 1 13 . 1 1 45 45 THR CA C 45 63.240 63.240 62.322 0.918 19533 5242 1 13 . 1 1 45 45 THR CB C 45 69.520 69.520 69.792 -0.272 19533 5243 1 13 . 1 1 45 45 THR H H 45 8.360 8.360 8.150 0.210 19533 5244 1 13 . 1 1 46 46 GLU C C 46 176.830 176.830 176.552 0.278 19533 5245 1 13 . 1 1 46 46 GLU CB C 46 24.950 24.950 31.428 -6.478 19533 5246 1 13 . 1 1 47 47 SER N N 47 121.430 121.430 122.727 -1.297 19533 5247 1 13 . 1 1 47 47 SER HA H 47 4.910 4.910 4.038 0.872 19533 5248 1 13 . 1 1 47 47 SER CA C 47 55.810 55.810 60.900 -5.090 19533 5249 1 13 . 1 1 47 47 SER CB C 47 64.100 64.100 62.770 1.331 19533 5250 1 13 . 1 1 47 47 SER H H 47 7.820 7.820 9.106 -1.286 19533 5251 1 13 . 1 1 48 48 ARG HA H 48 3.650 3.650 4.561 -0.911 19533 5252 1 13 . 1 1 48 48 ARG C C 48 173.650 173.650 174.592 -0.942 19533 5253 1 13 . 1 1 48 48 ARG CA C 48 58.000 58.000 55.574 2.426 19533 5254 1 13 . 1 1 48 48 ARG CB C 48 28.170 28.170 32.495 -4.325 19533 5255 1 13 . 1 1 49 49 VAL N N 49 119.480 119.480 120.192 -0.712 19533 5256 1 13 . 1 1 49 49 VAL HA H 49 3.530 3.530 4.275 -0.745 19533 5257 1 13 . 1 1 49 49 VAL C C 49 174.680 174.680 174.000 0.680 19533 5258 1 13 . 1 1 49 49 VAL CA C 49 62.880 62.880 61.152 1.728 19533 5259 1 13 . 1 1 49 49 VAL CB C 49 32.030 32.030 34.520 -2.490 19533 5260 1 13 . 1 1 49 49 VAL H H 49 7.700 7.700 8.450 -0.750 19533 5261 1 13 . 1 1 50 50 HIS N N 50 128.530 128.530 125.958 2.572 19533 5262 1 13 . 1 1 50 50 HIS HA H 50 4.720 4.720 4.934 -0.214 19533 5263 1 13 . 1 1 50 50 HIS C C 50 175.470 175.470 174.033 1.437 19533 5264 1 13 . 1 1 50 50 HIS CA C 50 55.380 55.380 55.256 0.124 19533 5265 1 13 . 1 1 50 50 HIS CB C 50 32.950 32.950 32.852 0.098 19533 5266 1 13 . 1 1 50 50 HIS H H 50 8.350 8.350 8.367 -0.017 19533 5267 1 13 . 1 1 51 51 LYS N N 51 117.460 117.460 120.488 -3.028 19533 5268 1 13 . 1 1 51 51 LYS HA H 51 5.770 5.770 5.509 0.261 19533 5269 1 13 . 1 1 51 51 LYS C C 51 177.900 177.900 175.430 2.470 19533 5270 1 13 . 1 1 51 51 LYS CA C 51 55.210 55.210 54.933 0.277 19533 5271 1 13 . 1 1 51 51 LYS CB C 51 39.360 39.360 35.971 3.389 19533 5272 1 13 . 1 1 51 51 LYS H H 51 8.940 8.940 8.641 0.299 19533 5273 1 13 . 1 1 52 52 ARG N N 52 120.830 120.830 120.826 0.004 19533 5274 1 13 . 1 1 52 52 ARG HA H 52 5.240 5.240 5.097 0.143 19533 5275 1 13 . 1 1 52 52 ARG C C 52 173.860 173.860 174.138 -0.278 19533 5276 1 13 . 1 1 52 52 ARG CA C 52 53.070 53.070 54.812 -1.742 19533 5277 1 13 . 1 1 52 52 ARG CB C 52 34.830 34.830 34.533 0.297 19533 5278 1 13 . 1 1 52 52 ARG H H 52 8.990 8.990 8.896 0.094 19533 5279 1 13 . 1 1 53 53 LEU N N 53 122.250 122.250 124.052 -1.802 19533 5280 1 13 . 1 1 53 53 LEU HA H 53 5.440 5.440 5.400 0.040 19533 5281 1 13 . 1 1 53 53 LEU C C 53 176.140 176.140 174.688 1.452 19533 5282 1 13 . 1 1 53 53 LEU CA C 53 53.800 53.800 53.522 0.278 19533 5283 1 13 . 1 1 53 53 LEU CB C 53 46.410 46.410 46.294 0.116 19533 5284 1 13 . 1 1 53 53 LEU H H 53 8.880 8.880 9.197 -0.317 19533 5285 1 13 . 1 1 54 54 ILE N N 54 124.790 124.790 126.660 -1.870 19533 5286 1 13 . 1 1 54 54 ILE HA H 54 4.420 4.420 4.598 -0.178 19533 5287 1 13 . 1 1 54 54 ILE C C 54 173.160 173.160 174.445 -1.285 19533 5288 1 13 . 1 1 54 54 ILE CA C 54 61.420 61.420 60.252 1.168 19533 5289 1 13 . 1 1 54 54 ILE CB C 54 43.480 43.480 40.472 3.008 19533 5290 1 13 . 1 1 54 54 ILE H H 54 9.280 9.280 9.203 0.077 19533 5291 1 13 . 1 1 55 55 ASP N N 55 126.260 126.260 128.068 -1.808 19533 5292 1 13 . 1 1 55 55 ASP HA H 55 5.800 5.800 5.357 0.443 19533 5293 1 13 . 1 1 55 55 ASP C C 55 175.300 175.300 175.268 0.032 19533 5294 1 13 . 1 1 55 55 ASP CA C 55 53.120 53.120 52.903 0.217 19533 5295 1 13 . 1 1 55 55 ASP CB C 55 43.530 43.530 43.209 0.321 19533 5296 1 13 . 1 1 55 55 ASP H H 55 8.560 8.560 8.689 -0.129 19533 5297 1 13 . 1 1 56 56 ILE N N 56 122.260 122.260 122.168 0.092 19533 5298 1 13 . 1 1 56 56 ILE HA H 56 4.620 4.620 4.654 -0.034 19533 5299 1 13 . 1 1 56 56 ILE C C 56 174.610 174.610 175.242 -0.632 19533 5300 1 13 . 1 1 56 56 ILE CA C 56 60.160 60.160 60.362 -0.202 19533 5301 1 13 . 1 1 56 56 ILE CB C 56 38.520 38.520 40.685 -2.165 19533 5302 1 13 . 1 1 56 56 ILE H H 56 9.100 9.100 8.993 0.107 19533 5303 1 13 . 1 1 57 57 ILE N N 57 128.860 128.860 127.207 1.653 19533 5304 1 13 . 1 1 57 57 ILE HA H 57 4.200 4.200 4.365 -0.165 19533 5305 1 13 . 1 1 57 57 ILE C C 57 174.350 174.350 174.871 -0.521 19533 5306 1 13 . 1 1 57 57 ILE CA C 57 60.810 60.810 60.251 0.559 19533 5307 1 13 . 1 1 57 57 ILE CB C 57 39.300 39.300 40.783 -1.483 19533 5308 1 13 . 1 1 57 57 ILE H H 57 8.480 8.480 9.076 -0.596 19533 5309 1 13 . 1 1 58 58 ASP N N 58 122.140 122.140 122.783 -0.643 19533 5310 1 13 . 1 1 58 58 ASP HA H 58 4.450 4.450 4.395 0.055 19533 5311 1 13 . 1 1 58 58 ASP CA C 58 55.110 55.110 54.437 0.673 19533 5312 1 13 . 1 1 58 58 ASP CB C 58 39.500 39.500 40.549 -1.049 19533 5313 1 13 . 1 1 58 58 ASP H H 58 8.760 8.760 8.755 0.005 19533 5314 1 13 . 1 1 59 59 PRO HA H 59 4.430 4.430 4.445 -0.015 19533 5315 1 13 . 1 1 59 59 PRO C C 59 176.690 176.690 176.177 0.513 19533 5316 1 13 . 1 1 59 59 PRO CA C 59 62.260 62.260 62.887 -0.627 19533 5317 1 13 . 1 1 59 59 PRO CB C 59 31.590 31.590 32.430 -0.840 19533 5318 1 13 . 1 1 60 60 SER N N 60 117.890 117.890 116.903 0.987 19533 5319 1 13 . 1 1 60 60 SER HA H 60 4.920 4.920 4.920 0.000 19533 5320 1 13 . 1 1 60 60 SER CA C 60 56.020 56.020 55.230 0.790 19533 5321 1 13 . 1 1 60 60 SER CB C 60 64.140 64.140 64.239 -0.099 19533 5322 1 13 . 1 1 60 60 SER H H 60 8.050 8.050 7.886 0.164 19533 5323 1 13 . 1 1 61 61 PRO HA H 61 4.240 4.240 4.371 -0.131 19533 5324 1 13 . 1 1 61 61 PRO CA C 61 66.000 66.000 64.877 1.123 19533 5325 1 13 . 1 1 61 61 PRO CB C 61 32.100 32.100 31.991 0.109 19533 5326 1 13 . 1 1 62 62 LYS HA H 62 4.150 4.150 4.144 0.006 19533 5327 1 13 . 1 1 62 62 LYS C C 62 179.040 179.040 178.375 0.665 19533 5328 1 13 . 1 1 62 62 LYS CA C 62 58.690 58.690 59.359 -0.669 19533 5329 1 13 . 1 1 62 62 LYS CB C 62 32.330 32.330 32.180 0.150 19533 5330 1 13 . 1 1 63 63 THR N N 63 118.760 118.760 116.378 2.382 19533 5331 1 13 . 1 1 63 63 THR HA H 63 3.880 3.880 4.127 -0.247 19533 5332 1 13 . 1 1 63 63 THR C C 63 175.480 175.480 176.357 -0.877 19533 5333 1 13 . 1 1 63 63 THR CA C 63 66.680 66.680 66.626 0.053 19533 5334 1 13 . 1 1 63 63 THR CB C 63 68.380 68.380 68.893 -0.513 19533 5335 1 13 . 1 1 63 63 THR H H 63 7.940 7.940 7.489 0.451 19533 5336 1 13 . 1 1 64 64 ILE N N 64 119.800 119.800 122.129 -2.329 19533 5337 1 13 . 1 1 64 64 ILE HA H 64 3.460 3.460 3.602 -0.142 19533 5338 1 13 . 1 1 64 64 ILE C C 64 176.830 176.830 177.397 -0.567 19533 5339 1 13 . 1 1 64 64 ILE CA C 64 65.180 65.180 65.355 -0.175 19533 5340 1 13 . 1 1 64 64 ILE CB C 64 36.720 36.720 37.652 -0.932 19533 5341 1 13 . 1 1 64 64 ILE H H 64 7.620 7.620 7.369 0.251 19533 5342 1 13 . 1 1 65 65 ASP N N 65 118.090 118.090 120.227 -2.137 19533 5343 1 13 . 1 1 65 65 ASP HA H 65 4.220 4.220 4.295 -0.075 19533 5344 1 13 . 1 1 65 65 ASP C C 65 177.620 177.620 178.556 -0.936 19533 5345 1 13 . 1 1 65 65 ASP CA C 65 57.910 57.910 57.414 0.496 19533 5346 1 13 . 1 1 65 65 ASP CB C 65 42.150 42.150 40.023 2.127 19533 5347 1 13 . 1 1 65 65 ASP H H 65 7.790 7.790 7.812 -0.022 19533 5348 1 13 . 1 1 66 66 ALA N N 66 118.370 118.370 122.287 -3.917 19533 5349 1 13 . 1 1 66 66 ALA HA H 66 3.950 3.950 4.118 -0.168 19533 5350 1 13 . 1 1 66 66 ALA C C 66 181.140 181.140 179.769 1.371 19533 5351 1 13 . 1 1 66 66 ALA CA C 66 54.970 54.970 54.930 0.040 19533 5352 1 13 . 1 1 66 66 ALA CB C 66 18.670 18.670 18.396 0.274 19533 5353 1 13 . 1 1 66 66 ALA H H 66 7.620 7.620 7.617 0.003 19533 5354 1 13 . 1 1 67 67 LEU N N 67 118.030 118.030 119.601 -1.571 19533 5355 1 13 . 1 1 67 67 LEU HA H 67 3.950 3.950 4.052 -0.102 19533 5356 1 13 . 1 1 67 67 LEU C C 67 178.210 178.210 178.318 -0.108 19533 5357 1 13 . 1 1 67 67 LEU CA C 67 57.420 57.420 57.673 -0.253 19533 5358 1 13 . 1 1 67 67 LEU CB C 67 42.100 42.100 41.459 0.640 19533 5359 1 13 . 1 1 67 67 LEU H H 67 8.180 8.180 7.526 0.654 19533 5360 1 13 . 1 1 68 68 MET N N 68 114.280 114.280 115.806 -1.526 19533 5361 1 13 . 1 1 68 68 MET HA H 68 4.260 4.260 4.155 0.105 19533 5362 1 13 . 1 1 68 68 MET C C 68 177.050 177.050 178.678 -1.628 19533 5363 1 13 . 1 1 68 68 MET CA C 68 56.990 56.990 58.051 -1.061 19533 5364 1 13 . 1 1 68 68 MET CB C 68 32.390 32.390 32.596 -0.207 19533 5365 1 13 . 1 1 68 68 MET H H 68 7.770 7.770 7.829 -0.059 19533 5366 1 13 . 1 1 69 69 ARG N N 69 115.480 115.480 117.244 -1.764 19533 5367 1 13 . 1 1 69 69 ARG HA H 69 4.410 4.410 4.275 0.135 19533 5368 1 13 . 1 1 69 69 ARG C C 69 176.480 176.480 177.010 -0.530 19533 5369 1 13 . 1 1 69 69 ARG CA C 69 55.560 55.560 57.750 -2.190 19533 5370 1 13 . 1 1 69 69 ARG CB C 69 30.970 30.970 31.132 -0.162 19533 5371 1 13 . 1 1 69 69 ARG H H 69 7.180 7.180 7.519 -0.339 19533 5372 1 13 . 1 1 70 70 ILE N N 70 119.930 119.930 119.442 0.488 19533 5373 1 13 . 1 1 70 70 ILE HA H 70 3.930 3.930 4.136 -0.206 19533 5374 1 13 . 1 1 70 70 ILE CA C 70 62.270 62.270 60.437 1.833 19533 5375 1 13 . 1 1 70 70 ILE CB C 70 39.050 39.050 39.195 -0.145 19533 5376 1 13 . 1 1 70 70 ILE H H 70 7.070 7.070 7.511 -0.441 19533 5377 1 13 . 1 1 71 71 ASN HA H 71 4.860 4.860 4.800 0.060 19533 5378 1 13 . 1 1 71 71 ASN C C 71 174.190 174.190 175.370 -1.180 19533 5379 1 13 . 1 1 71 71 ASN CA C 71 52.330 52.330 52.332 -0.002 19533 5380 1 13 . 1 1 71 71 ASN CB C 71 39.180 39.180 39.932 -0.752 19533 5381 1 13 . 1 1 72 72 LEU N N 72 125.700 125.700 125.560 0.140 19533 5382 1 13 . 1 1 72 72 LEU HA H 72 4.610 4.610 4.254 0.356 19533 5383 1 13 . 1 1 72 72 LEU CA C 72 52.410 52.410 54.428 -2.018 19533 5384 1 13 . 1 1 72 72 LEU CB C 72 41.670 41.670 42.191 -0.521 19533 5385 1 13 . 1 1 72 72 LEU H H 72 8.440 8.440 8.431 0.009 19533 5386 1 13 . 1 1 73 73 PRO HA H 73 4.420 4.420 4.454 -0.034 19533 5387 1 13 . 1 1 73 73 PRO C C 73 176.110 176.110 176.146 -0.036 19533 5388 1 13 . 1 1 73 73 PRO CA C 73 62.240 62.240 62.399 -0.159 19533 5389 1 13 . 1 1 73 73 PRO CB C 73 32.450 32.450 32.491 -0.041 19533 5390 1 13 . 1 1 74 74 ALA N N 74 123.290 123.290 124.254 -0.964 19533 5391 1 13 . 1 1 74 74 ALA HA H 74 4.170 4.170 4.194 -0.024 19533 5392 1 13 . 1 1 74 74 ALA C C 74 178.430 178.430 178.594 -0.164 19533 5393 1 13 . 1 1 74 74 ALA CA C 74 53.550 53.550 53.058 0.492 19533 5394 1 13 . 1 1 74 74 ALA CB C 74 18.300 18.300 19.107 -0.807 19533 5395 1 13 . 1 1 74 74 ALA H H 74 8.160 8.160 8.250 -0.090 19533 5396 1 13 . 1 1 75 75 GLY N N 75 106.750 106.750 108.791 -2.041 19533 5397 1 13 . 1 1 75 75 GLY C C 75 174.140 174.140 173.292 0.848 19533 5398 1 13 . 1 1 75 75 GLY CA C 75 45.020 45.020 45.105 -0.084 19533 5399 1 13 . 1 1 75 75 GLY H H 75 8.420 8.420 8.735 -0.315 19533 5400 1 13 . 1 1 76 76 VAL N N 76 120.550 120.550 118.972 1.578 19533 5401 1 13 . 1 1 76 76 VAL HA H 76 4.660 4.660 4.989 -0.329 19533 5402 1 13 . 1 1 76 76 VAL C C 76 174.120 174.120 174.761 -0.641 19533 5403 1 13 . 1 1 76 76 VAL CA C 76 61.070 61.070 60.216 0.854 19533 5404 1 13 . 1 1 76 76 VAL CB C 76 32.960 32.960 34.428 -1.468 19533 5405 1 13 . 1 1 76 76 VAL H H 76 7.460 7.460 7.337 0.123 19533 5406 1 13 . 1 1 77 77 ASP N N 77 128.070 128.070 125.830 2.240 19533 5407 1 13 . 1 1 77 77 ASP HA H 77 4.970 4.970 4.994 -0.024 19533 5408 1 13 . 1 1 77 77 ASP C C 77 175.020 175.020 174.679 0.341 19533 5409 1 13 . 1 1 77 77 ASP CA C 77 53.550 53.550 52.432 1.118 19533 5410 1 13 . 1 1 77 77 ASP CB C 77 43.840 43.840 43.802 0.038 19533 5411 1 13 . 1 1 77 77 ASP H H 77 8.950 8.950 9.012 -0.062 19533 5412 1 13 . 1 1 78 78 VAL N N 78 122.000 122.000 119.049 2.951 19533 5413 1 13 . 1 1 78 78 VAL HA H 78 4.850 4.850 4.871 -0.021 19533 5414 1 13 . 1 1 78 78 VAL C C 78 174.280 174.280 175.152 -0.872 19533 5415 1 13 . 1 1 78 78 VAL CA C 78 60.720 60.720 60.181 0.539 19533 5416 1 13 . 1 1 78 78 VAL CB C 78 34.600 34.600 35.078 -0.478 19533 5417 1 13 . 1 1 78 78 VAL H H 78 8.460 8.460 8.338 0.122 19533 5418 1 13 . 1 1 79 79 GLU N N 79 127.380 127.380 125.134 2.246 19533 5419 1 13 . 1 1 79 79 GLU CA C 79 54.800 54.800 55.630 -0.830 19533 5420 1 13 . 1 1 79 79 GLU CB C 79 33.610 33.610 31.350 2.260 19533 5421 1 13 . 1 1 79 79 GLU H H 79 8.820 8.820 8.592 0.228 19533 5422 1 14 . 1 1 3 3 GLY C C 3 174.400 174.400 175.945 -1.545 19533 5423 1 14 . 1 1 3 3 GLY CA C 3 45.570 45.570 44.763 0.807 19533 5424 1 14 . 1 1 4 4 GLY N N 4 109.110 109.110 106.763 2.347 19533 5425 1 14 . 1 1 4 4 GLY C C 4 174.070 174.070 174.407 -0.337 19533 5426 1 14 . 1 1 4 4 GLY CA C 4 45.410 45.410 45.313 0.097 19533 5427 1 14 . 1 1 4 4 GLY H H 4 8.380 8.380 8.431 -0.051 19533 5428 1 14 . 1 1 5 5 GLN N N 5 119.810 119.810 119.349 0.461 19533 5429 1 14 . 1 1 5 5 GLN HA H 5 4.470 4.470 4.553 -0.083 19533 5430 1 14 . 1 1 5 5 GLN C C 5 174.980 174.980 174.601 0.379 19533 5431 1 14 . 1 1 5 5 GLN CA C 5 56.300 56.300 54.992 1.308 19533 5432 1 14 . 1 1 5 5 GLN CB C 5 30.080 30.080 30.335 -0.255 19533 5433 1 14 . 1 1 5 5 GLN H H 5 8.280 8.280 7.910 0.370 19533 5434 1 14 . 1 1 6 6 LYS N N 6 120.240 120.240 119.078 1.162 19533 5435 1 14 . 1 1 6 6 LYS HA H 6 5.080 5.080 5.255 -0.175 19533 5436 1 14 . 1 1 6 6 LYS C C 6 175.110 175.110 174.977 0.133 19533 5437 1 14 . 1 1 6 6 LYS CA C 6 55.330 55.330 54.274 1.056 19533 5438 1 14 . 1 1 6 6 LYS CB C 6 35.450 35.450 35.760 -0.310 19533 5439 1 14 . 1 1 6 6 LYS H H 6 8.080 8.080 8.330 -0.250 19533 5440 1 14 . 1 1 7 7 ILE N N 7 120.690 120.690 121.202 -0.512 19533 5441 1 14 . 1 1 7 7 ILE HA H 7 4.540 4.540 4.376 0.164 19533 5442 1 14 . 1 1 7 7 ILE C C 7 173.880 173.880 175.065 -1.185 19533 5443 1 14 . 1 1 7 7 ILE CA C 7 60.520 60.520 59.370 1.150 19533 5444 1 14 . 1 1 7 7 ILE CB C 7 40.830 40.830 40.695 0.135 19533 5445 1 14 . 1 1 7 7 ILE H H 7 8.770 8.770 8.452 0.318 19533 5446 1 14 . 1 1 8 8 ARG N N 8 127.060 127.060 124.324 2.736 19533 5447 1 14 . 1 1 8 8 ARG HA H 8 5.330 5.330 5.274 0.056 19533 5448 1 14 . 1 1 8 8 ARG C C 8 174.690 174.690 175.260 -0.570 19533 5449 1 14 . 1 1 8 8 ARG CA C 8 55.070 55.070 54.759 0.311 19533 5450 1 14 . 1 1 8 8 ARG CB C 8 32.370 32.370 33.206 -0.836 19533 5451 1 14 . 1 1 8 8 ARG H H 8 8.480 8.480 8.471 0.009 19533 5452 1 14 . 1 1 9 9 ILE N N 9 127.670 127.670 124.563 3.107 19533 5453 1 14 . 1 1 9 9 ILE HA H 9 4.800 4.800 4.406 0.394 19533 5454 1 14 . 1 1 9 9 ILE C C 9 174.380 174.380 175.098 -0.718 19533 5455 1 14 . 1 1 9 9 ILE CA C 9 60.240 60.240 60.025 0.215 19533 5456 1 14 . 1 1 9 9 ILE CB C 9 39.860 39.860 41.381 -1.521 19533 5457 1 14 . 1 1 9 9 ILE H H 9 9.540 9.540 8.619 0.921 19533 5458 1 14 . 1 1 10 10 LYS N N 10 127.240 127.240 126.629 0.611 19533 5459 1 14 . 1 1 10 10 LYS HA H 10 5.220 5.220 5.255 -0.035 19533 5460 1 14 . 1 1 10 10 LYS C C 10 175.130 175.130 175.651 -0.521 19533 5461 1 14 . 1 1 10 10 LYS CA C 10 54.760 54.760 55.206 -0.447 19533 5462 1 14 . 1 1 10 10 LYS CB C 10 34.940 34.940 34.134 0.806 19533 5463 1 14 . 1 1 10 10 LYS H H 10 9.050 9.050 8.593 0.457 19533 5464 1 14 . 1 1 11 11 LEU N N 11 124.480 124.480 125.564 -1.084 19533 5465 1 14 . 1 1 11 11 LEU HA H 11 5.450 5.450 4.925 0.525 19533 5466 1 14 . 1 1 11 11 LEU C C 11 176.000 176.000 175.978 0.022 19533 5467 1 14 . 1 1 11 11 LEU CA C 11 53.320 53.320 54.061 -0.741 19533 5468 1 14 . 1 1 11 11 LEU CB C 11 46.960 46.960 43.140 3.820 19533 5469 1 14 . 1 1 11 11 LEU H H 11 8.790 8.790 9.065 -0.275 19533 5470 1 14 . 1 1 12 12 LYS N N 12 119.690 119.690 121.903 -2.213 19533 5471 1 14 . 1 1 12 12 LYS HA H 12 5.570 5.570 5.193 0.377 19533 5472 1 14 . 1 1 12 12 LYS C C 12 174.610 174.610 175.173 -0.563 19533 5473 1 14 . 1 1 12 12 LYS CA C 12 54.600 54.600 54.785 -0.185 19533 5474 1 14 . 1 1 12 12 LYS CB C 12 36.480 36.480 35.533 0.947 19533 5475 1 14 . 1 1 12 12 LYS H H 12 8.550 8.550 8.335 0.215 19533 5476 1 14 . 1 1 13 13 ALA N N 13 120.780 120.780 125.606 -4.826 19533 5477 1 14 . 1 1 13 13 ALA HA H 13 4.720 4.720 4.811 -0.091 19533 5478 1 14 . 1 1 13 13 ALA C C 13 176.120 176.120 176.224 -0.104 19533 5479 1 14 . 1 1 13 13 ALA CA C 13 52.230 52.230 51.789 0.440 19533 5480 1 14 . 1 1 13 13 ALA CB C 13 24.780 24.780 21.785 2.995 19533 5481 1 14 . 1 1 13 13 ALA H H 13 8.740 8.740 7.913 0.827 19533 5482 1 14 . 1 1 14 14 TYR N N 14 117.810 117.810 120.919 -3.109 19533 5483 1 14 . 1 1 14 14 TYR HA H 14 4.920 4.920 4.455 0.465 19533 5484 1 14 . 1 1 14 14 TYR C C 14 175.960 175.960 176.491 -0.531 19533 5485 1 14 . 1 1 14 14 TYR CA C 14 59.790 59.790 60.894 -1.103 19533 5486 1 14 . 1 1 14 14 TYR CB C 14 38.840 38.840 39.030 -0.190 19533 5487 1 14 . 1 1 14 14 TYR H H 14 8.670 8.670 8.864 -0.194 19533 5488 1 14 . 1 1 15 15 ASP N N 15 118.650 118.650 117.248 1.402 19533 5489 1 14 . 1 1 15 15 ASP HA H 15 4.890 4.890 4.828 0.062 19533 5490 1 14 . 1 1 15 15 ASP C C 15 175.980 175.980 176.838 -0.858 19533 5491 1 14 . 1 1 15 15 ASP CA C 15 52.830 52.830 52.764 0.066 19533 5492 1 14 . 1 1 15 15 ASP CB C 15 42.420 42.420 41.597 0.823 19533 5493 1 14 . 1 1 15 15 ASP H H 15 7.390 7.390 8.002 -0.612 19533 5494 1 14 . 1 1 16 16 HIS N N 16 124.080 124.080 125.366 -1.286 19533 5495 1 14 . 1 1 16 16 HIS HA H 16 3.830 3.830 4.167 -0.337 19533 5496 1 14 . 1 1 16 16 HIS C C 16 176.000 176.000 176.632 -0.632 19533 5497 1 14 . 1 1 16 16 HIS CA C 16 59.190 59.190 59.026 0.164 19533 5498 1 14 . 1 1 16 16 HIS CB C 16 29.030 29.030 28.593 0.437 19533 5499 1 14 . 1 1 16 16 HIS H H 16 8.190 8.190 8.836 -0.646 19533 5500 1 14 . 1 1 17 17 GLU N N 17 121.830 121.830 119.457 2.373 19533 5501 1 14 . 1 1 17 17 GLU HA H 17 4.040 4.040 3.724 0.316 19533 5502 1 14 . 1 1 17 17 GLU C C 17 179.540 179.540 178.325 1.215 19533 5503 1 14 . 1 1 17 17 GLU CA C 17 59.520 59.520 59.088 0.432 19533 5504 1 14 . 1 1 17 17 GLU CB C 17 29.020 29.020 28.800 0.220 19533 5505 1 14 . 1 1 17 17 GLU H H 17 7.740 7.740 6.862 0.878 19533 5506 1 14 . 1 1 18 18 LEU N N 18 121.120 121.120 119.974 1.146 19533 5507 1 14 . 1 1 18 18 LEU HA H 18 4.030 4.030 4.176 -0.146 19533 5508 1 14 . 1 1 18 18 LEU C C 18 180.600 180.600 178.173 2.427 19533 5509 1 14 . 1 1 18 18 LEU CA C 18 57.050 57.050 57.629 -0.579 19533 5510 1 14 . 1 1 18 18 LEU CB C 18 42.390 42.390 42.029 0.361 19533 5511 1 14 . 1 1 18 18 LEU H H 18 7.510 7.510 7.545 -0.035 19533 5512 1 14 . 1 1 19 19 LEU N N 19 121.190 121.190 120.789 0.401 19533 5513 1 14 . 1 1 19 19 LEU HA H 19 3.750 3.750 4.012 -0.262 19533 5514 1 14 . 1 1 19 19 LEU C C 19 177.580 177.580 178.288 -0.708 19533 5515 1 14 . 1 1 19 19 LEU CA C 19 57.950 57.950 57.656 0.294 19533 5516 1 14 . 1 1 19 19 LEU CB C 19 42.100 42.100 41.347 0.753 19533 5517 1 14 . 1 1 19 19 LEU H H 19 7.780 7.780 7.947 -0.167 19533 5518 1 14 . 1 1 20 20 ASP N N 20 119.750 119.750 119.428 0.322 19533 5519 1 14 . 1 1 20 20 ASP HA H 20 4.490 4.490 4.293 0.197 19533 5520 1 14 . 1 1 20 20 ASP C C 20 179.450 179.450 178.422 1.028 19533 5521 1 14 . 1 1 20 20 ASP CA C 20 58.070 58.070 57.690 0.380 19533 5522 1 14 . 1 1 20 20 ASP CB C 20 40.130 40.130 40.600 -0.470 19533 5523 1 14 . 1 1 20 20 ASP H H 20 8.150 8.150 8.531 -0.381 19533 5524 1 14 . 1 1 21 21 GLU N N 21 120.710 120.710 119.626 1.084 19533 5525 1 14 . 1 1 21 21 GLU HA H 21 4.080 4.080 3.989 0.091 19533 5526 1 14 . 1 1 21 21 GLU C C 21 179.370 179.370 179.320 0.050 19533 5527 1 14 . 1 1 21 21 GLU CA C 21 59.210 59.210 59.551 -0.341 19533 5528 1 14 . 1 1 21 21 GLU CB C 21 29.650 29.650 29.579 0.071 19533 5529 1 14 . 1 1 21 21 GLU H H 21 8.050 8.050 7.670 0.380 19533 5530 1 14 . 1 1 22 22 SER N N 22 116.150 116.150 115.616 0.534 19533 5531 1 14 . 1 1 22 22 SER HA H 22 4.090 4.090 4.182 -0.092 19533 5532 1 14 . 1 1 22 22 SER C C 22 175.000 175.000 176.576 -1.576 19533 5533 1 14 . 1 1 22 22 SER CA C 22 62.900 62.900 61.817 1.083 19533 5534 1 14 . 1 1 22 22 SER CB C 22 62.900 62.900 62.791 0.109 19533 5535 1 14 . 1 1 22 22 SER H H 22 7.950 7.950 7.803 0.147 19533 5536 1 14 . 1 1 23 23 ALA N N 23 123.240 123.240 124.438 -1.198 19533 5537 1 14 . 1 1 23 23 ALA HA H 23 3.760 3.760 4.153 -0.393 19533 5538 1 14 . 1 1 23 23 ALA C C 23 178.540 178.540 179.350 -0.810 19533 5539 1 14 . 1 1 23 23 ALA CA C 23 55.190 55.190 55.137 0.053 19533 5540 1 14 . 1 1 23 23 ALA CB C 23 17.870 17.870 18.376 -0.506 19533 5541 1 14 . 1 1 23 23 ALA H H 23 8.560 8.560 7.919 0.641 19533 5542 1 14 . 1 1 24 24 LYS N N 24 116.780 116.780 119.366 -2.586 19533 5543 1 14 . 1 1 24 24 LYS HA H 24 3.840 3.840 3.998 -0.158 19533 5544 1 14 . 1 1 24 24 LYS C C 24 178.720 178.720 178.449 0.271 19533 5545 1 14 . 1 1 24 24 LYS CA C 24 59.940 59.940 59.197 0.743 19533 5546 1 14 . 1 1 24 24 LYS CB C 24 32.250 32.250 32.163 0.087 19533 5547 1 14 . 1 1 24 24 LYS H H 24 7.750 7.750 8.340 -0.590 19533 5548 1 14 . 1 1 25 25 LYS N N 25 118.950 118.950 119.912 -0.962 19533 5549 1 14 . 1 1 25 25 LYS HA H 25 4.040 4.040 4.066 -0.026 19533 5550 1 14 . 1 1 25 25 LYS C C 25 178.720 178.720 178.879 -0.159 19533 5551 1 14 . 1 1 25 25 LYS CA C 25 59.000 59.000 59.590 -0.590 19533 5552 1 14 . 1 1 25 25 LYS CB C 25 32.120 32.120 32.265 -0.145 19533 5553 1 14 . 1 1 25 25 LYS H H 25 7.580 7.580 7.930 -0.350 19533 5554 1 14 . 1 1 26 26 ILE N N 26 118.310 118.310 120.112 -1.802 19533 5555 1 14 . 1 1 26 26 ILE HA H 26 3.470 3.470 3.691 -0.221 19533 5556 1 14 . 1 1 26 26 ILE CA C 26 65.060 65.060 65.151 -0.091 19533 5557 1 14 . 1 1 26 26 ILE CB C 26 36.720 36.720 37.988 -1.268 19533 5558 1 14 . 1 1 26 26 ILE H H 26 7.610 7.610 7.725 -0.115 19533 5559 1 14 . 1 1 27 27 VAL N N 27 118.900 118.900 120.944 -2.044 19533 5560 1 14 . 1 1 27 27 VAL HA H 27 3.390 3.390 3.473 -0.083 19533 5561 1 14 . 1 1 27 27 VAL C C 27 177.550 177.550 178.020 -0.470 19533 5562 1 14 . 1 1 27 27 VAL CA C 27 67.630 67.630 67.521 0.109 19533 5563 1 14 . 1 1 27 27 VAL CB C 27 31.420 31.420 31.270 0.150 19533 5564 1 14 . 1 1 27 27 VAL H H 27 7.950 7.950 8.547 -0.597 19533 5565 1 14 . 1 1 28 28 GLU N N 28 118.800 118.800 120.514 -1.714 19533 5566 1 14 . 1 1 28 28 GLU HA H 28 3.980 3.980 4.030 -0.050 19533 5567 1 14 . 1 1 28 28 GLU C C 28 180.130 180.130 179.365 0.765 19533 5568 1 14 . 1 1 28 28 GLU CA C 28 59.740 59.740 59.970 -0.230 19533 5569 1 14 . 1 1 28 28 GLU CB C 28 29.380 29.380 29.687 -0.307 19533 5570 1 14 . 1 1 28 28 GLU H H 28 8.180 8.180 8.197 -0.017 19533 5571 1 14 . 1 1 29 29 VAL N N 29 120.730 120.730 119.800 0.930 19533 5572 1 14 . 1 1 29 29 VAL HA H 29 3.710 3.710 3.683 0.027 19533 5573 1 14 . 1 1 29 29 VAL C C 29 179.240 179.240 177.998 1.242 19533 5574 1 14 . 1 1 29 29 VAL CA C 29 66.290 66.290 65.764 0.526 19533 5575 1 14 . 1 1 29 29 VAL CB C 29 31.420 31.420 31.703 -0.284 19533 5576 1 14 . 1 1 29 29 VAL H H 29 8.120 8.120 7.905 0.215 19533 5577 1 14 . 1 1 30 30 ALA N N 30 123.770 123.770 122.762 1.008 19533 5578 1 14 . 1 1 30 30 ALA HA H 30 3.880 3.880 3.955 -0.075 19533 5579 1 14 . 1 1 30 30 ALA C C 30 179.630 179.630 178.846 0.784 19533 5580 1 14 . 1 1 30 30 ALA CA C 30 55.560 55.560 55.502 0.058 19533 5581 1 14 . 1 1 30 30 ALA CB C 30 18.000 18.000 18.420 -0.420 19533 5582 1 14 . 1 1 30 30 ALA H H 30 8.310 8.310 8.619 -0.309 19533 5583 1 14 . 1 1 31 31 LYS N N 31 118.260 118.260 118.590 -0.330 19533 5584 1 14 . 1 1 31 31 LYS HA H 31 4.200 4.200 4.040 0.160 19533 5585 1 14 . 1 1 31 31 LYS C C 31 180.710 180.710 178.878 1.832 19533 5586 1 14 . 1 1 31 31 LYS CA C 31 59.910 59.910 59.171 0.739 19533 5587 1 14 . 1 1 31 31 LYS CB C 31 32.270 32.270 32.246 0.024 19533 5588 1 14 . 1 1 31 31 LYS H H 31 8.710 8.710 8.533 0.177 19533 5589 1 14 . 1 1 32 32 SER N N 32 115.760 115.760 112.139 3.621 19533 5590 1 14 . 1 1 32 32 SER HA H 32 4.380 4.380 4.291 0.089 19533 5591 1 14 . 1 1 32 32 SER C C 32 175.120 175.120 175.001 0.119 19533 5592 1 14 . 1 1 32 32 SER CA C 32 61.300 61.300 60.076 1.224 19533 5593 1 14 . 1 1 32 32 SER CB C 32 63.220 63.220 63.473 -0.253 19533 5594 1 14 . 1 1 32 32 SER H H 32 8.310 8.310 7.775 0.535 19533 5595 1 14 . 1 1 33 33 THR N N 33 108.990 108.990 114.765 -5.775 19533 5596 1 14 . 1 1 33 33 THR HA H 33 4.490 4.490 4.361 0.129 19533 5597 1 14 . 1 1 33 33 THR C C 33 173.390 173.390 175.070 -1.680 19533 5598 1 14 . 1 1 33 33 THR CA C 33 60.910 60.910 61.855 -0.945 19533 5599 1 14 . 1 1 33 33 THR CB C 33 68.860 68.860 69.831 -0.971 19533 5600 1 14 . 1 1 33 33 THR H H 33 7.330 7.330 7.567 -0.237 19533 5601 1 14 . 1 1 34 34 ASN N N 34 115.250 115.250 118.284 -3.034 19533 5602 1 14 . 1 1 34 34 ASN HA H 34 4.450 4.450 4.527 -0.077 19533 5603 1 14 . 1 1 34 34 ASN C C 34 174.490 174.490 175.997 -1.507 19533 5604 1 14 . 1 1 34 34 ASN CA C 34 54.800 54.800 55.004 -0.204 19533 5605 1 14 . 1 1 34 34 ASN CB C 34 37.160 37.160 38.358 -1.198 19533 5606 1 14 . 1 1 34 34 ASN H H 34 7.910 7.910 8.694 -0.784 19533 5607 1 14 . 1 1 35 35 SER N N 35 113.160 113.160 115.349 -2.189 19533 5608 1 14 . 1 1 35 35 SER HA H 35 4.830 4.830 4.528 0.302 19533 5609 1 14 . 1 1 35 35 SER C C 35 173.250 173.250 173.484 -0.234 19533 5610 1 14 . 1 1 35 35 SER CA C 35 58.550 58.550 58.806 -0.256 19533 5611 1 14 . 1 1 35 35 SER CB C 35 64.910 64.910 64.667 0.243 19533 5612 1 14 . 1 1 35 35 SER H H 35 7.800 7.800 7.668 0.133 19533 5613 1 14 . 1 1 36 36 LYS N N 36 123.770 123.770 121.737 2.033 19533 5614 1 14 . 1 1 36 36 LYS HA H 36 4.420 4.420 4.619 -0.199 19533 5615 1 14 . 1 1 36 36 LYS C C 36 175.270 175.270 174.863 0.407 19533 5616 1 14 . 1 1 36 36 LYS CA C 36 56.290 56.290 55.104 1.186 19533 5617 1 14 . 1 1 36 36 LYS CB C 36 33.390 33.390 35.704 -2.314 19533 5618 1 14 . 1 1 36 36 LYS H H 36 8.390 8.390 8.302 0.088 19533 5619 1 14 . 1 1 37 37 VAL N N 37 119.710 119.710 119.178 0.532 19533 5620 1 14 . 1 1 37 37 VAL HA H 37 5.010 5.010 5.042 -0.032 19533 5621 1 14 . 1 1 37 37 VAL C C 37 175.120 175.120 174.659 0.461 19533 5622 1 14 . 1 1 37 37 VAL CA C 37 59.800 59.800 58.955 0.845 19533 5623 1 14 . 1 1 37 37 VAL CB C 37 35.260 35.260 34.493 0.767 19533 5624 1 14 . 1 1 37 37 VAL H H 37 8.130 8.130 8.332 -0.202 19533 5625 1 14 . 1 1 38 38 SER N N 38 121.650 121.650 120.043 1.607 19533 5626 1 14 . 1 1 38 38 SER HA H 38 4.810 4.810 4.850 -0.040 19533 5627 1 14 . 1 1 38 38 SER C C 38 173.290 173.290 173.260 0.030 19533 5628 1 14 . 1 1 38 38 SER CA C 38 56.930 56.930 57.433 -0.503 19533 5629 1 14 . 1 1 38 38 SER CB C 38 64.420 64.420 65.347 -0.927 19533 5630 1 14 . 1 1 38 38 SER H H 38 9.060 9.060 9.115 -0.055 19533 5631 1 14 . 1 1 39 39 GLY N N 39 112.740 112.740 110.233 2.507 19533 5632 1 14 . 1 1 39 39 GLY CA C 39 43.180 43.180 44.492 -1.312 19533 5633 1 14 . 1 1 39 39 GLY H H 39 8.430 8.430 8.201 0.229 19533 5634 1 14 . 1 1 40 40 PRO HA H 40 4.760 4.760 4.452 0.308 19533 5635 1 14 . 1 1 40 40 PRO C C 40 175.760 175.760 175.739 0.021 19533 5636 1 14 . 1 1 40 40 PRO CA C 40 61.350 61.350 63.127 -1.777 19533 5637 1 14 . 1 1 40 40 PRO CB C 40 34.780 34.780 32.755 2.025 19533 5638 1 14 . 1 1 41 41 ILE N N 41 125.440 125.440 123.719 1.721 19533 5639 1 14 . 1 1 41 41 ILE HA H 41 4.750 4.750 4.509 0.241 19533 5640 1 14 . 1 1 41 41 ILE CA C 41 57.700 57.700 58.617 -0.916 19533 5641 1 14 . 1 1 41 41 ILE CB C 41 40.570 40.570 38.268 2.302 19533 5642 1 14 . 1 1 41 41 ILE H H 41 9.560 9.560 8.966 0.594 19533 5643 1 14 . 1 1 42 42 PRO HA H 42 4.820 4.820 4.580 0.240 19533 5644 1 14 . 1 1 42 42 PRO C C 42 175.600 175.600 175.800 -0.200 19533 5645 1 14 . 1 1 42 42 PRO CA C 42 62.720 62.720 62.824 -0.104 19533 5646 1 14 . 1 1 42 42 PRO CB C 42 31.740 31.740 32.182 -0.442 19533 5647 1 14 . 1 1 43 43 LEU N N 43 123.010 123.010 125.700 -2.690 19533 5648 1 14 . 1 1 43 43 LEU HA H 43 4.830 4.830 4.851 -0.021 19533 5649 1 14 . 1 1 43 43 LEU CA C 43 51.960 51.960 51.483 0.477 19533 5650 1 14 . 1 1 43 43 LEU CB C 43 42.460 42.460 42.196 0.264 19533 5651 1 14 . 1 1 43 43 LEU H H 43 7.230 7.230 8.508 -1.278 19533 5652 1 14 . 1 1 44 44 PRO HA H 44 4.370 4.370 4.471 -0.102 19533 5653 1 14 . 1 1 44 44 PRO C C 44 176.620 176.620 176.384 0.236 19533 5654 1 14 . 1 1 44 44 PRO CA C 44 63.660 63.660 62.554 1.106 19533 5655 1 14 . 1 1 44 44 PRO CB C 44 31.780 31.780 32.141 -0.361 19533 5656 1 14 . 1 1 45 45 THR N N 45 121.280 121.280 117.005 4.275 19533 5657 1 14 . 1 1 45 45 THR HA H 45 4.380 4.380 4.713 -0.333 19533 5658 1 14 . 1 1 45 45 THR CA C 45 63.240 63.240 61.363 1.877 19533 5659 1 14 . 1 1 45 45 THR CB C 45 69.520 69.520 69.823 -0.303 19533 5660 1 14 . 1 1 45 45 THR H H 45 8.360 8.360 8.155 0.205 19533 5661 1 14 . 1 1 46 46 GLU C C 46 176.830 176.830 176.140 0.690 19533 5662 1 14 . 1 1 46 46 GLU CB C 46 24.950 24.950 31.717 -6.767 19533 5663 1 14 . 1 1 47 47 SER N N 47 121.430 121.430 121.480 -0.050 19533 5664 1 14 . 1 1 47 47 SER HA H 47 4.910 4.910 4.120 0.790 19533 5665 1 14 . 1 1 47 47 SER CA C 47 55.810 55.810 59.296 -3.486 19533 5666 1 14 . 1 1 47 47 SER CB C 47 64.100 64.100 62.043 2.057 19533 5667 1 14 . 1 1 47 47 SER H H 47 7.820 7.820 9.147 -1.327 19533 5668 1 14 . 1 1 48 48 ARG HA H 48 3.650 3.650 3.906 -0.256 19533 5669 1 14 . 1 1 48 48 ARG C C 48 173.650 173.650 174.325 -0.675 19533 5670 1 14 . 1 1 48 48 ARG CA C 48 58.000 58.000 56.957 1.043 19533 5671 1 14 . 1 1 48 48 ARG CB C 48 28.170 28.170 29.367 -1.197 19533 5672 1 14 . 1 1 49 49 VAL N N 49 119.480 119.480 117.087 2.393 19533 5673 1 14 . 1 1 49 49 VAL HA H 49 3.530 3.530 4.203 -0.673 19533 5674 1 14 . 1 1 49 49 VAL C C 49 174.680 174.680 175.291 -0.611 19533 5675 1 14 . 1 1 49 49 VAL CA C 49 62.880 62.880 60.666 2.214 19533 5676 1 14 . 1 1 49 49 VAL CB C 49 32.030 32.030 34.237 -2.207 19533 5677 1 14 . 1 1 49 49 VAL H H 49 7.700 7.700 7.592 0.108 19533 5678 1 14 . 1 1 50 50 HIS N N 50 128.530 128.530 125.596 2.934 19533 5679 1 14 . 1 1 50 50 HIS HA H 50 4.720 4.720 4.901 -0.181 19533 5680 1 14 . 1 1 50 50 HIS C C 50 175.470 175.470 174.081 1.389 19533 5681 1 14 . 1 1 50 50 HIS CA C 50 55.380 55.380 55.321 0.059 19533 5682 1 14 . 1 1 50 50 HIS CB C 50 32.950 32.950 32.346 0.604 19533 5683 1 14 . 1 1 50 50 HIS H H 50 8.350 8.350 8.451 -0.101 19533 5684 1 14 . 1 1 51 51 LYS N N 51 117.460 117.460 120.901 -3.441 19533 5685 1 14 . 1 1 51 51 LYS HA H 51 5.770 5.770 5.641 0.129 19533 5686 1 14 . 1 1 51 51 LYS C C 51 177.900 177.900 175.576 2.324 19533 5687 1 14 . 1 1 51 51 LYS CA C 51 55.210 55.210 54.890 0.320 19533 5688 1 14 . 1 1 51 51 LYS CB C 51 39.360 39.360 36.470 2.890 19533 5689 1 14 . 1 1 51 51 LYS H H 51 8.940 8.940 8.726 0.214 19533 5690 1 14 . 1 1 52 52 ARG N N 52 120.830 120.830 120.608 0.222 19533 5691 1 14 . 1 1 52 52 ARG HA H 52 5.240 5.240 5.265 -0.025 19533 5692 1 14 . 1 1 52 52 ARG C C 52 173.860 173.860 174.252 -0.392 19533 5693 1 14 . 1 1 52 52 ARG CA C 52 53.070 53.070 54.837 -1.767 19533 5694 1 14 . 1 1 52 52 ARG CB C 52 34.830 34.830 34.489 0.342 19533 5695 1 14 . 1 1 52 52 ARG H H 52 8.990 8.990 8.566 0.424 19533 5696 1 14 . 1 1 53 53 LEU N N 53 122.250 122.250 124.637 -2.387 19533 5697 1 14 . 1 1 53 53 LEU HA H 53 5.440 5.440 5.586 -0.146 19533 5698 1 14 . 1 1 53 53 LEU C C 53 176.140 176.140 174.835 1.305 19533 5699 1 14 . 1 1 53 53 LEU CA C 53 53.800 53.800 53.332 0.468 19533 5700 1 14 . 1 1 53 53 LEU CB C 53 46.410 46.410 46.307 0.103 19533 5701 1 14 . 1 1 53 53 LEU H H 53 8.880 8.880 9.206 -0.326 19533 5702 1 14 . 1 1 54 54 ILE N N 54 124.790 124.790 127.399 -2.609 19533 5703 1 14 . 1 1 54 54 ILE HA H 54 4.420 4.420 4.722 -0.302 19533 5704 1 14 . 1 1 54 54 ILE C C 54 173.160 173.160 174.805 -1.645 19533 5705 1 14 . 1 1 54 54 ILE CA C 54 61.420 61.420 60.198 1.222 19533 5706 1 14 . 1 1 54 54 ILE CB C 54 43.480 43.480 39.856 3.624 19533 5707 1 14 . 1 1 54 54 ILE H H 54 9.280 9.280 8.899 0.381 19533 5708 1 14 . 1 1 55 55 ASP N N 55 126.260 126.260 128.426 -2.166 19533 5709 1 14 . 1 1 55 55 ASP HA H 55 5.800 5.800 5.532 0.268 19533 5710 1 14 . 1 1 55 55 ASP C C 55 175.300 175.300 175.719 -0.419 19533 5711 1 14 . 1 1 55 55 ASP CA C 55 53.120 53.120 52.908 0.212 19533 5712 1 14 . 1 1 55 55 ASP CB C 55 43.530 43.530 42.886 0.644 19533 5713 1 14 . 1 1 55 55 ASP H H 55 8.560 8.560 8.465 0.095 19533 5714 1 14 . 1 1 56 56 ILE N N 56 122.260 122.260 121.019 1.241 19533 5715 1 14 . 1 1 56 56 ILE HA H 56 4.620 4.620 4.660 -0.040 19533 5716 1 14 . 1 1 56 56 ILE C C 56 174.610 174.610 175.607 -0.997 19533 5717 1 14 . 1 1 56 56 ILE CA C 56 60.160 60.160 60.251 -0.091 19533 5718 1 14 . 1 1 56 56 ILE CB C 56 38.520 38.520 40.768 -2.248 19533 5719 1 14 . 1 1 56 56 ILE H H 56 9.100 9.100 8.790 0.310 19533 5720 1 14 . 1 1 57 57 ILE N N 57 128.860 128.860 127.685 1.175 19533 5721 1 14 . 1 1 57 57 ILE HA H 57 4.200 4.200 4.369 -0.169 19533 5722 1 14 . 1 1 57 57 ILE C C 57 174.350 174.350 175.162 -0.812 19533 5723 1 14 . 1 1 57 57 ILE CA C 57 60.810 60.810 60.230 0.580 19533 5724 1 14 . 1 1 57 57 ILE CB C 57 39.300 39.300 40.704 -1.404 19533 5725 1 14 . 1 1 57 57 ILE H H 57 8.480 8.480 9.217 -0.737 19533 5726 1 14 . 1 1 58 58 ASP N N 58 122.140 122.140 123.665 -1.525 19533 5727 1 14 . 1 1 58 58 ASP HA H 58 4.450 4.450 4.392 0.058 19533 5728 1 14 . 1 1 58 58 ASP CA C 58 55.110 55.110 54.333 0.777 19533 5729 1 14 . 1 1 58 58 ASP CB C 58 39.500 39.500 40.564 -1.064 19533 5730 1 14 . 1 1 58 58 ASP H H 58 8.760 8.760 8.461 0.299 19533 5731 1 14 . 1 1 59 59 PRO HA H 59 4.430 4.430 4.450 -0.020 19533 5732 1 14 . 1 1 59 59 PRO C C 59 176.690 176.690 176.075 0.615 19533 5733 1 14 . 1 1 59 59 PRO CA C 59 62.260 62.260 63.036 -0.776 19533 5734 1 14 . 1 1 59 59 PRO CB C 59 31.590 31.590 32.545 -0.955 19533 5735 1 14 . 1 1 60 60 SER N N 60 117.890 117.890 118.194 -0.304 19533 5736 1 14 . 1 1 60 60 SER HA H 60 4.920 4.920 4.942 -0.022 19533 5737 1 14 . 1 1 60 60 SER CA C 60 56.020 56.020 55.486 0.534 19533 5738 1 14 . 1 1 60 60 SER CB C 60 64.140 64.140 64.176 -0.036 19533 5739 1 14 . 1 1 60 60 SER H H 60 8.050 8.050 7.836 0.214 19533 5740 1 14 . 1 1 61 61 PRO HA H 61 4.240 4.240 4.404 -0.164 19533 5741 1 14 . 1 1 61 61 PRO CA C 61 66.000 66.000 64.892 1.108 19533 5742 1 14 . 1 1 61 61 PRO CB C 61 32.100 32.100 31.832 0.268 19533 5743 1 14 . 1 1 62 62 LYS HA H 62 4.150 4.150 4.154 -0.004 19533 5744 1 14 . 1 1 62 62 LYS C C 62 179.040 179.040 178.673 0.367 19533 5745 1 14 . 1 1 62 62 LYS CA C 62 58.690 58.690 59.416 -0.726 19533 5746 1 14 . 1 1 62 62 LYS CB C 62 32.330 32.330 32.008 0.322 19533 5747 1 14 . 1 1 63 63 THR N N 63 118.760 118.760 116.479 2.281 19533 5748 1 14 . 1 1 63 63 THR HA H 63 3.880 3.880 4.167 -0.287 19533 5749 1 14 . 1 1 63 63 THR C C 63 175.480 175.480 176.002 -0.522 19533 5750 1 14 . 1 1 63 63 THR CA C 63 66.680 66.680 66.723 -0.043 19533 5751 1 14 . 1 1 63 63 THR CB C 63 68.380 68.380 68.743 -0.363 19533 5752 1 14 . 1 1 63 63 THR H H 63 7.940 7.940 7.465 0.475 19533 5753 1 14 . 1 1 64 64 ILE N N 64 119.800 119.800 122.214 -2.414 19533 5754 1 14 . 1 1 64 64 ILE HA H 64 3.460 3.460 3.635 -0.175 19533 5755 1 14 . 1 1 64 64 ILE C C 64 176.830 176.830 177.466 -0.636 19533 5756 1 14 . 1 1 64 64 ILE CA C 64 65.180 65.180 65.437 -0.257 19533 5757 1 14 . 1 1 64 64 ILE CB C 64 36.720 36.720 37.612 -0.892 19533 5758 1 14 . 1 1 64 64 ILE H H 64 7.620 7.620 7.426 0.194 19533 5759 1 14 . 1 1 65 65 ASP N N 65 118.090 118.090 119.948 -1.858 19533 5760 1 14 . 1 1 65 65 ASP HA H 65 4.220 4.220 4.344 -0.124 19533 5761 1 14 . 1 1 65 65 ASP C C 65 177.620 177.620 178.491 -0.871 19533 5762 1 14 . 1 1 65 65 ASP CA C 65 57.910 57.910 57.318 0.592 19533 5763 1 14 . 1 1 65 65 ASP CB C 65 42.150 42.150 40.034 2.116 19533 5764 1 14 . 1 1 65 65 ASP H H 65 7.790 7.790 7.846 -0.056 19533 5765 1 14 . 1 1 66 66 ALA N N 66 118.370 118.370 122.408 -4.038 19533 5766 1 14 . 1 1 66 66 ALA HA H 66 3.950 3.950 4.136 -0.186 19533 5767 1 14 . 1 1 66 66 ALA C C 66 181.140 181.140 179.696 1.444 19533 5768 1 14 . 1 1 66 66 ALA CA C 66 54.970 54.970 54.926 0.044 19533 5769 1 14 . 1 1 66 66 ALA CB C 66 18.670 18.670 18.553 0.117 19533 5770 1 14 . 1 1 66 66 ALA H H 66 7.620 7.620 7.609 0.011 19533 5771 1 14 . 1 1 67 67 LEU N N 67 118.030 118.030 119.694 -1.664 19533 5772 1 14 . 1 1 67 67 LEU HA H 67 3.950 3.950 4.036 -0.086 19533 5773 1 14 . 1 1 67 67 LEU C C 67 178.210 178.210 178.366 -0.156 19533 5774 1 14 . 1 1 67 67 LEU CA C 67 57.420 57.420 57.645 -0.225 19533 5775 1 14 . 1 1 67 67 LEU CB C 67 42.100 42.100 41.816 0.284 19533 5776 1 14 . 1 1 67 67 LEU H H 67 8.180 8.180 7.847 0.333 19533 5777 1 14 . 1 1 68 68 MET N N 68 114.280 114.280 116.145 -1.865 19533 5778 1 14 . 1 1 68 68 MET HA H 68 4.260 4.260 4.151 0.109 19533 5779 1 14 . 1 1 68 68 MET C C 68 177.050 177.050 178.486 -1.436 19533 5780 1 14 . 1 1 68 68 MET CA C 68 56.990 56.990 58.120 -1.130 19533 5781 1 14 . 1 1 68 68 MET CB C 68 32.390 32.390 32.597 -0.207 19533 5782 1 14 . 1 1 68 68 MET H H 68 7.770 7.770 7.874 -0.104 19533 5783 1 14 . 1 1 69 69 ARG N N 69 115.480 115.480 117.464 -1.984 19533 5784 1 14 . 1 1 69 69 ARG HA H 69 4.410 4.410 4.266 0.144 19533 5785 1 14 . 1 1 69 69 ARG C C 69 176.480 176.480 177.053 -0.573 19533 5786 1 14 . 1 1 69 69 ARG CA C 69 55.560 55.560 57.829 -2.269 19533 5787 1 14 . 1 1 69 69 ARG CB C 69 30.970 30.970 31.147 -0.177 19533 5788 1 14 . 1 1 69 69 ARG H H 69 7.180 7.180 7.533 -0.353 19533 5789 1 14 . 1 1 70 70 ILE N N 70 119.930 119.930 119.340 0.590 19533 5790 1 14 . 1 1 70 70 ILE HA H 70 3.930 3.930 4.138 -0.208 19533 5791 1 14 . 1 1 70 70 ILE CA C 70 62.270 62.270 60.485 1.785 19533 5792 1 14 . 1 1 70 70 ILE CB C 70 39.050 39.050 39.202 -0.152 19533 5793 1 14 . 1 1 70 70 ILE H H 70 7.070 7.070 7.577 -0.507 19533 5794 1 14 . 1 1 71 71 ASN HA H 71 4.860 4.860 4.871 -0.011 19533 5795 1 14 . 1 1 71 71 ASN C C 71 174.190 174.190 175.365 -1.175 19533 5796 1 14 . 1 1 71 71 ASN CA C 71 52.330 52.330 52.057 0.273 19533 5797 1 14 . 1 1 71 71 ASN CB C 71 39.180 39.180 40.511 -1.331 19533 5798 1 14 . 1 1 72 72 LEU N N 72 125.700 125.700 122.563 3.137 19533 5799 1 14 . 1 1 72 72 LEU HA H 72 4.610 4.610 4.468 0.142 19533 5800 1 14 . 1 1 72 72 LEU CA C 72 52.410 52.410 53.838 -1.428 19533 5801 1 14 . 1 1 72 72 LEU CB C 72 41.670 41.670 40.723 0.947 19533 5802 1 14 . 1 1 72 72 LEU H H 72 8.440 8.440 8.300 0.140 19533 5803 1 14 . 1 1 73 73 PRO HA H 73 4.420 4.420 4.426 -0.006 19533 5804 1 14 . 1 1 73 73 PRO C C 73 176.110 176.110 176.575 -0.465 19533 5805 1 14 . 1 1 73 73 PRO CA C 73 62.240 62.240 62.392 -0.152 19533 5806 1 14 . 1 1 73 73 PRO CB C 73 32.450 32.450 32.340 0.110 19533 5807 1 14 . 1 1 74 74 ALA N N 74 123.290 123.290 123.834 -0.544 19533 5808 1 14 . 1 1 74 74 ALA HA H 74 4.170 4.170 4.131 0.039 19533 5809 1 14 . 1 1 74 74 ALA C C 74 178.430 178.430 178.702 -0.272 19533 5810 1 14 . 1 1 74 74 ALA CA C 74 53.550 53.550 53.389 0.161 19533 5811 1 14 . 1 1 74 74 ALA CB C 74 18.300 18.300 18.987 -0.687 19533 5812 1 14 . 1 1 74 74 ALA H H 74 8.160 8.160 8.255 -0.095 19533 5813 1 14 . 1 1 75 75 GLY N N 75 106.750 106.750 109.213 -2.463 19533 5814 1 14 . 1 1 75 75 GLY C C 75 174.140 174.140 173.433 0.707 19533 5815 1 14 . 1 1 75 75 GLY CA C 75 45.020 45.020 45.180 -0.160 19533 5816 1 14 . 1 1 75 75 GLY H H 75 8.420 8.420 8.753 -0.333 19533 5817 1 14 . 1 1 76 76 VAL N N 76 120.550 120.550 119.236 1.314 19533 5818 1 14 . 1 1 76 76 VAL HA H 76 4.660 4.660 5.138 -0.478 19533 5819 1 14 . 1 1 76 76 VAL C C 76 174.120 174.120 174.528 -0.408 19533 5820 1 14 . 1 1 76 76 VAL CA C 76 61.070 61.070 60.543 0.527 19533 5821 1 14 . 1 1 76 76 VAL CB C 76 32.960 32.960 34.765 -1.805 19533 5822 1 14 . 1 1 76 76 VAL H H 76 7.460 7.460 7.363 0.097 19533 5823 1 14 . 1 1 77 77 ASP N N 77 128.070 128.070 126.144 1.926 19533 5824 1 14 . 1 1 77 77 ASP HA H 77 4.970 4.970 4.970 -0.000 19533 5825 1 14 . 1 1 77 77 ASP C C 77 175.020 175.020 174.391 0.629 19533 5826 1 14 . 1 1 77 77 ASP CA C 77 53.550 53.550 52.618 0.932 19533 5827 1 14 . 1 1 77 77 ASP CB C 77 43.840 43.840 44.004 -0.164 19533 5828 1 14 . 1 1 77 77 ASP H H 77 8.950 8.950 8.666 0.284 19533 5829 1 14 . 1 1 78 78 VAL N N 78 122.000 122.000 120.958 1.042 19533 5830 1 14 . 1 1 78 78 VAL HA H 78 4.850 4.850 4.736 0.114 19533 5831 1 14 . 1 1 78 78 VAL C C 78 174.280 174.280 175.635 -1.355 19533 5832 1 14 . 1 1 78 78 VAL CA C 78 60.720 60.720 60.675 0.045 19533 5833 1 14 . 1 1 78 78 VAL CB C 78 34.600 34.600 34.548 0.052 19533 5834 1 14 . 1 1 78 78 VAL H H 78 8.460 8.460 8.463 -0.003 19533 5835 1 14 . 1 1 79 79 GLU N N 79 127.380 127.380 125.940 1.440 19533 5836 1 14 . 1 1 79 79 GLU CA C 79 54.800 54.800 55.739 -0.938 19533 5837 1 14 . 1 1 79 79 GLU CB C 79 33.610 33.610 30.368 3.242 19533 5838 1 14 . 1 1 79 79 GLU H H 79 8.820 8.820 8.569 0.251 19533 5839 1 15 . 1 1 3 3 GLY C C 3 174.400 174.400 175.969 -1.569 19533 5840 1 15 . 1 1 3 3 GLY CA C 3 45.570 45.570 44.933 0.637 19533 5841 1 15 . 1 1 4 4 GLY N N 4 109.110 109.110 107.186 1.924 19533 5842 1 15 . 1 1 4 4 GLY C C 4 174.070 174.070 174.642 -0.572 19533 5843 1 15 . 1 1 4 4 GLY CA C 4 45.410 45.410 45.527 -0.117 19533 5844 1 15 . 1 1 4 4 GLY H H 4 8.380 8.380 8.356 0.024 19533 5845 1 15 . 1 1 5 5 GLN N N 5 119.810 119.810 119.960 -0.150 19533 5846 1 15 . 1 1 5 5 GLN HA H 5 4.470 4.470 4.413 0.057 19533 5847 1 15 . 1 1 5 5 GLN C C 5 174.980 174.980 174.763 0.217 19533 5848 1 15 . 1 1 5 5 GLN CA C 5 56.300 56.300 55.913 0.387 19533 5849 1 15 . 1 1 5 5 GLN CB C 5 30.080 30.080 29.470 0.610 19533 5850 1 15 . 1 1 5 5 GLN H H 5 8.280 8.280 7.898 0.382 19533 5851 1 15 . 1 1 6 6 LYS N N 6 120.240 120.240 118.959 1.281 19533 5852 1 15 . 1 1 6 6 LYS HA H 6 5.080 5.080 5.044 0.036 19533 5853 1 15 . 1 1 6 6 LYS C C 6 175.110 175.110 175.287 -0.177 19533 5854 1 15 . 1 1 6 6 LYS CA C 6 55.330 55.330 54.390 0.940 19533 5855 1 15 . 1 1 6 6 LYS CB C 6 35.450 35.450 35.915 -0.465 19533 5856 1 15 . 1 1 6 6 LYS H H 6 8.080 8.080 8.212 -0.132 19533 5857 1 15 . 1 1 7 7 ILE N N 7 120.690 120.690 121.707 -1.017 19533 5858 1 15 . 1 1 7 7 ILE HA H 7 4.540 4.540 4.400 0.140 19533 5859 1 15 . 1 1 7 7 ILE C C 7 173.880 173.880 174.616 -0.736 19533 5860 1 15 . 1 1 7 7 ILE CA C 7 60.520 60.520 59.864 0.656 19533 5861 1 15 . 1 1 7 7 ILE CB C 7 40.830 40.830 41.786 -0.956 19533 5862 1 15 . 1 1 7 7 ILE H H 7 8.770 8.770 8.411 0.359 19533 5863 1 15 . 1 1 8 8 ARG N N 8 127.060 127.060 124.263 2.797 19533 5864 1 15 . 1 1 8 8 ARG HA H 8 5.330 5.330 5.131 0.199 19533 5865 1 15 . 1 1 8 8 ARG C C 8 174.690 174.690 175.144 -0.454 19533 5866 1 15 . 1 1 8 8 ARG CA C 8 55.070 55.070 54.769 0.301 19533 5867 1 15 . 1 1 8 8 ARG CB C 8 32.370 32.370 33.055 -0.685 19533 5868 1 15 . 1 1 8 8 ARG H H 8 8.480 8.480 8.628 -0.148 19533 5869 1 15 . 1 1 9 9 ILE N N 9 127.670 127.670 123.195 4.475 19533 5870 1 15 . 1 1 9 9 ILE HA H 9 4.800 4.800 4.781 0.019 19533 5871 1 15 . 1 1 9 9 ILE C C 9 174.380 174.380 174.785 -0.405 19533 5872 1 15 . 1 1 9 9 ILE CA C 9 60.240 60.240 59.976 0.264 19533 5873 1 15 . 1 1 9 9 ILE CB C 9 39.860 39.860 41.288 -1.428 19533 5874 1 15 . 1 1 9 9 ILE H H 9 9.540 9.540 8.255 1.285 19533 5875 1 15 . 1 1 10 10 LYS N N 10 127.240 127.240 126.944 0.296 19533 5876 1 15 . 1 1 10 10 LYS HA H 10 5.220 5.220 5.075 0.145 19533 5877 1 15 . 1 1 10 10 LYS C C 10 175.130 175.130 175.348 -0.218 19533 5878 1 15 . 1 1 10 10 LYS CA C 10 54.760 54.760 54.815 -0.055 19533 5879 1 15 . 1 1 10 10 LYS CB C 10 34.940 34.940 35.200 -0.260 19533 5880 1 15 . 1 1 10 10 LYS H H 10 9.050 9.050 8.741 0.309 19533 5881 1 15 . 1 1 11 11 LEU N N 11 124.480 124.480 128.032 -3.552 19533 5882 1 15 . 1 1 11 11 LEU HA H 11 5.450 5.450 5.352 0.098 19533 5883 1 15 . 1 1 11 11 LEU C C 11 176.000 176.000 175.969 0.031 19533 5884 1 15 . 1 1 11 11 LEU CA C 11 53.320 53.320 53.438 -0.118 19533 5885 1 15 . 1 1 11 11 LEU CB C 11 46.960 46.960 43.581 3.379 19533 5886 1 15 . 1 1 11 11 LEU H H 11 8.790 8.790 9.371 -0.581 19533 5887 1 15 . 1 1 12 12 LYS N N 12 119.690 119.690 123.011 -3.321 19533 5888 1 15 . 1 1 12 12 LYS HA H 12 5.570 5.570 5.401 0.169 19533 5889 1 15 . 1 1 12 12 LYS C C 12 174.610 174.610 175.105 -0.495 19533 5890 1 15 . 1 1 12 12 LYS CA C 12 54.600 54.600 54.721 -0.121 19533 5891 1 15 . 1 1 12 12 LYS CB C 12 36.480 36.480 35.927 0.553 19533 5892 1 15 . 1 1 12 12 LYS H H 12 8.550 8.550 8.474 0.076 19533 5893 1 15 . 1 1 13 13 ALA N N 13 120.780 120.780 126.054 -5.274 19533 5894 1 15 . 1 1 13 13 ALA HA H 13 4.720 4.720 5.010 -0.290 19533 5895 1 15 . 1 1 13 13 ALA C C 13 176.120 176.120 176.187 -0.067 19533 5896 1 15 . 1 1 13 13 ALA CA C 13 52.230 52.230 51.816 0.414 19533 5897 1 15 . 1 1 13 13 ALA CB C 13 24.780 24.780 22.062 2.718 19533 5898 1 15 . 1 1 13 13 ALA H H 13 8.740 8.740 8.169 0.571 19533 5899 1 15 . 1 1 14 14 TYR N N 14 117.810 117.810 123.735 -5.925 19533 5900 1 15 . 1 1 14 14 TYR HA H 14 4.920 4.920 4.403 0.517 19533 5901 1 15 . 1 1 14 14 TYR C C 14 175.960 175.960 175.615 0.345 19533 5902 1 15 . 1 1 14 14 TYR CA C 14 59.790 59.790 61.551 -1.761 19533 5903 1 15 . 1 1 14 14 TYR CB C 14 38.840 38.840 39.000 -0.160 19533 5904 1 15 . 1 1 14 14 TYR H H 14 8.670 8.670 9.076 -0.406 19533 5905 1 15 . 1 1 15 15 ASP N N 15 118.650 118.650 116.430 2.220 19533 5906 1 15 . 1 1 15 15 ASP HA H 15 4.890 4.890 4.763 0.127 19533 5907 1 15 . 1 1 15 15 ASP C C 15 175.980 175.980 176.525 -0.545 19533 5908 1 15 . 1 1 15 15 ASP CA C 15 52.830 52.830 54.594 -1.764 19533 5909 1 15 . 1 1 15 15 ASP CB C 15 42.420 42.420 41.474 0.945 19533 5910 1 15 . 1 1 15 15 ASP H H 15 7.390 7.390 8.046 -0.656 19533 5911 1 15 . 1 1 16 16 HIS N N 16 124.080 124.080 124.614 -0.534 19533 5912 1 15 . 1 1 16 16 HIS HA H 16 3.830 3.830 4.098 -0.268 19533 5913 1 15 . 1 1 16 16 HIS C C 16 176.000 176.000 176.379 -0.379 19533 5914 1 15 . 1 1 16 16 HIS CA C 16 59.190 59.190 58.985 0.205 19533 5915 1 15 . 1 1 16 16 HIS CB C 16 29.030 29.030 29.980 -0.950 19533 5916 1 15 . 1 1 16 16 HIS H H 16 8.190 8.190 8.666 -0.476 19533 5917 1 15 . 1 1 17 17 GLU N N 17 121.830 121.830 119.869 1.961 19533 5918 1 15 . 1 1 17 17 GLU HA H 17 4.040 4.040 3.892 0.148 19533 5919 1 15 . 1 1 17 17 GLU C C 17 179.540 179.540 178.525 1.015 19533 5920 1 15 . 1 1 17 17 GLU CA C 17 59.520 59.520 59.501 0.019 19533 5921 1 15 . 1 1 17 17 GLU CB C 17 29.020 29.020 29.198 -0.178 19533 5922 1 15 . 1 1 17 17 GLU H H 17 7.740 7.740 8.780 -1.040 19533 5923 1 15 . 1 1 18 18 LEU N N 18 121.120 121.120 116.957 4.163 19533 5924 1 15 . 1 1 18 18 LEU HA H 18 4.030 4.030 4.080 -0.050 19533 5925 1 15 . 1 1 18 18 LEU C C 18 180.600 180.600 179.112 1.488 19533 5926 1 15 . 1 1 18 18 LEU CA C 18 57.050 57.050 57.326 -0.276 19533 5927 1 15 . 1 1 18 18 LEU CB C 18 42.390 42.390 41.642 0.749 19533 5928 1 15 . 1 1 18 18 LEU H H 18 7.510 7.510 7.545 -0.035 19533 5929 1 15 . 1 1 19 19 LEU N N 19 121.190 121.190 119.814 1.376 19533 5930 1 15 . 1 1 19 19 LEU HA H 19 3.750 3.750 3.952 -0.202 19533 5931 1 15 . 1 1 19 19 LEU C C 19 177.580 177.580 178.848 -1.268 19533 5932 1 15 . 1 1 19 19 LEU CA C 19 57.950 57.950 58.292 -0.342 19533 5933 1 15 . 1 1 19 19 LEU CB C 19 42.100 42.100 41.223 0.877 19533 5934 1 15 . 1 1 19 19 LEU H H 19 7.780 7.780 7.518 0.262 19533 5935 1 15 . 1 1 20 20 ASP N N 20 119.750 119.750 119.791 -0.041 19533 5936 1 15 . 1 1 20 20 ASP HA H 20 4.490 4.490 4.225 0.265 19533 5937 1 15 . 1 1 20 20 ASP C C 20 179.450 179.450 178.714 0.736 19533 5938 1 15 . 1 1 20 20 ASP CA C 20 58.070 58.070 57.621 0.449 19533 5939 1 15 . 1 1 20 20 ASP CB C 20 40.130 40.130 40.569 -0.438 19533 5940 1 15 . 1 1 20 20 ASP H H 20 8.150 8.150 7.897 0.253 19533 5941 1 15 . 1 1 21 21 GLU N N 21 120.710 120.710 119.489 1.221 19533 5942 1 15 . 1 1 21 21 GLU HA H 21 4.080 4.080 4.043 0.037 19533 5943 1 15 . 1 1 21 21 GLU C C 21 179.370 179.370 179.209 0.161 19533 5944 1 15 . 1 1 21 21 GLU CA C 21 59.210 59.210 59.317 -0.107 19533 5945 1 15 . 1 1 21 21 GLU CB C 21 29.650 29.650 29.777 -0.127 19533 5946 1 15 . 1 1 21 21 GLU H H 21 8.050 8.050 8.155 -0.105 19533 5947 1 15 . 1 1 22 22 SER N N 22 116.150 116.150 116.666 -0.516 19533 5948 1 15 . 1 1 22 22 SER HA H 22 4.090 4.090 4.155 -0.065 19533 5949 1 15 . 1 1 22 22 SER C C 22 175.000 175.000 176.540 -1.540 19533 5950 1 15 . 1 1 22 22 SER CA C 22 62.900 62.900 61.158 1.742 19533 5951 1 15 . 1 1 22 22 SER CB C 22 62.900 62.900 63.098 -0.198 19533 5952 1 15 . 1 1 22 22 SER H H 22 7.950 7.950 8.094 -0.144 19533 5953 1 15 . 1 1 23 23 ALA N N 23 123.240 123.240 123.874 -0.634 19533 5954 1 15 . 1 1 23 23 ALA HA H 23 3.760 3.760 4.095 -0.335 19533 5955 1 15 . 1 1 23 23 ALA C C 23 178.540 178.540 178.907 -0.367 19533 5956 1 15 . 1 1 23 23 ALA CA C 23 55.190 55.190 55.148 0.042 19533 5957 1 15 . 1 1 23 23 ALA CB C 23 17.870 17.870 18.188 -0.318 19533 5958 1 15 . 1 1 23 23 ALA H H 23 8.560 8.560 8.421 0.139 19533 5959 1 15 . 1 1 24 24 LYS N N 24 116.780 116.780 118.830 -2.050 19533 5960 1 15 . 1 1 24 24 LYS HA H 24 3.840 3.840 3.972 -0.132 19533 5961 1 15 . 1 1 24 24 LYS C C 24 178.720 178.720 178.781 -0.061 19533 5962 1 15 . 1 1 24 24 LYS CA C 24 59.940 59.940 59.677 0.263 19533 5963 1 15 . 1 1 24 24 LYS CB C 24 32.250 32.250 32.297 -0.047 19533 5964 1 15 . 1 1 24 24 LYS H H 24 7.750 7.750 7.772 -0.022 19533 5965 1 15 . 1 1 25 25 LYS N N 25 118.950 118.950 119.434 -0.484 19533 5966 1 15 . 1 1 25 25 LYS HA H 25 4.040 4.040 4.059 -0.019 19533 5967 1 15 . 1 1 25 25 LYS C C 25 178.720 178.720 179.131 -0.411 19533 5968 1 15 . 1 1 25 25 LYS CA C 25 59.000 59.000 59.534 -0.534 19533 5969 1 15 . 1 1 25 25 LYS CB C 25 32.120 32.120 32.356 -0.236 19533 5970 1 15 . 1 1 25 25 LYS H H 25 7.580 7.580 7.727 -0.147 19533 5971 1 15 . 1 1 26 26 ILE N N 26 118.310 118.310 120.396 -2.086 19533 5972 1 15 . 1 1 26 26 ILE HA H 26 3.470 3.470 3.829 -0.359 19533 5973 1 15 . 1 1 26 26 ILE CA C 26 65.060 65.060 63.752 1.308 19533 5974 1 15 . 1 1 26 26 ILE CB C 26 36.720 36.720 36.505 0.215 19533 5975 1 15 . 1 1 26 26 ILE H H 26 7.610 7.610 7.912 -0.302 19533 5976 1 15 . 1 1 27 27 VAL N N 27 118.900 118.900 120.607 -1.707 19533 5977 1 15 . 1 1 27 27 VAL HA H 27 3.390 3.390 3.586 -0.196 19533 5978 1 15 . 1 1 27 27 VAL C C 27 177.550 177.550 178.245 -0.695 19533 5979 1 15 . 1 1 27 27 VAL CA C 27 67.630 67.630 66.480 1.151 19533 5980 1 15 . 1 1 27 27 VAL CB C 27 31.420 31.420 30.769 0.651 19533 5981 1 15 . 1 1 27 27 VAL H H 27 7.950 7.950 8.563 -0.613 19533 5982 1 15 . 1 1 28 28 GLU N N 28 118.800 118.800 120.593 -1.793 19533 5983 1 15 . 1 1 28 28 GLU HA H 28 3.980 3.980 4.040 -0.060 19533 5984 1 15 . 1 1 28 28 GLU C C 28 180.130 180.130 179.491 0.639 19533 5985 1 15 . 1 1 28 28 GLU CA C 28 59.740 59.740 59.980 -0.240 19533 5986 1 15 . 1 1 28 28 GLU CB C 28 29.380 29.380 29.746 -0.366 19533 5987 1 15 . 1 1 28 28 GLU H H 28 8.180 8.180 8.146 0.034 19533 5988 1 15 . 1 1 29 29 VAL N N 29 120.730 120.730 119.876 0.854 19533 5989 1 15 . 1 1 29 29 VAL HA H 29 3.710 3.710 3.670 0.040 19533 5990 1 15 . 1 1 29 29 VAL C C 29 179.240 179.240 178.083 1.157 19533 5991 1 15 . 1 1 29 29 VAL CA C 29 66.290 66.290 66.121 0.169 19533 5992 1 15 . 1 1 29 29 VAL CB C 29 31.420 31.420 31.669 -0.249 19533 5993 1 15 . 1 1 29 29 VAL H H 29 8.120 8.120 8.291 -0.171 19533 5994 1 15 . 1 1 30 30 ALA N N 30 123.770 123.770 122.204 1.566 19533 5995 1 15 . 1 1 30 30 ALA HA H 30 3.880 3.880 4.004 -0.124 19533 5996 1 15 . 1 1 30 30 ALA C C 30 179.630 179.630 179.686 -0.056 19533 5997 1 15 . 1 1 30 30 ALA CA C 30 55.560 55.560 55.300 0.260 19533 5998 1 15 . 1 1 30 30 ALA CB C 30 18.000 18.000 18.346 -0.346 19533 5999 1 15 . 1 1 30 30 ALA H H 30 8.310 8.310 8.661 -0.351 19533 6000 1 15 . 1 1 31 31 LYS N N 31 118.260 118.260 118.710 -0.450 19533 6001 1 15 . 1 1 31 31 LYS HA H 31 4.200 4.200 4.051 0.149 19533 6002 1 15 . 1 1 31 31 LYS C C 31 180.710 180.710 178.597 2.113 19533 6003 1 15 . 1 1 31 31 LYS CA C 31 59.910 59.910 58.912 0.998 19533 6004 1 15 . 1 1 31 31 LYS CB C 31 32.270 32.270 32.259 0.011 19533 6005 1 15 . 1 1 31 31 LYS H H 31 8.710 8.710 8.446 0.264 19533 6006 1 15 . 1 1 32 32 SER N N 32 115.760 115.760 113.070 2.690 19533 6007 1 15 . 1 1 32 32 SER HA H 32 4.380 4.380 4.319 0.061 19533 6008 1 15 . 1 1 32 32 SER C C 32 175.120 175.120 175.117 0.003 19533 6009 1 15 . 1 1 32 32 SER CA C 32 61.300 61.300 60.396 0.904 19533 6010 1 15 . 1 1 32 32 SER CB C 32 63.220 63.220 63.364 -0.144 19533 6011 1 15 . 1 1 32 32 SER H H 32 8.310 8.310 7.900 0.410 19533 6012 1 15 . 1 1 33 33 THR N N 33 108.990 108.990 114.789 -5.799 19533 6013 1 15 . 1 1 33 33 THR HA H 33 4.490 4.490 4.393 0.097 19533 6014 1 15 . 1 1 33 33 THR C C 33 173.390 173.390 175.099 -1.709 19533 6015 1 15 . 1 1 33 33 THR CA C 33 60.910 60.910 61.748 -0.838 19533 6016 1 15 . 1 1 33 33 THR CB C 33 68.860 68.860 69.846 -0.985 19533 6017 1 15 . 1 1 33 33 THR H H 33 7.330 7.330 7.524 -0.194 19533 6018 1 15 . 1 1 34 34 ASN N N 34 115.250 115.250 118.784 -3.534 19533 6019 1 15 . 1 1 34 34 ASN HA H 34 4.450 4.450 4.526 -0.076 19533 6020 1 15 . 1 1 34 34 ASN C C 34 174.490 174.490 175.994 -1.504 19533 6021 1 15 . 1 1 34 34 ASN CA C 34 54.800 54.800 54.858 -0.058 19533 6022 1 15 . 1 1 34 34 ASN CB C 34 37.160 37.160 38.270 -1.110 19533 6023 1 15 . 1 1 34 34 ASN H H 34 7.910 7.910 8.734 -0.824 19533 6024 1 15 . 1 1 35 35 SER N N 35 113.160 113.160 114.550 -1.390 19533 6025 1 15 . 1 1 35 35 SER HA H 35 4.830 4.830 4.540 0.290 19533 6026 1 15 . 1 1 35 35 SER C C 35 173.250 173.250 173.754 -0.504 19533 6027 1 15 . 1 1 35 35 SER CA C 35 58.550 58.550 58.783 -0.233 19533 6028 1 15 . 1 1 35 35 SER CB C 35 64.910 64.910 64.513 0.397 19533 6029 1 15 . 1 1 35 35 SER H H 35 7.800 7.800 7.829 -0.029 19533 6030 1 15 . 1 1 36 36 LYS N N 36 123.770 123.770 120.865 2.905 19533 6031 1 15 . 1 1 36 36 LYS HA H 36 4.420 4.420 4.636 -0.216 19533 6032 1 15 . 1 1 36 36 LYS C C 36 175.270 175.270 175.588 -0.318 19533 6033 1 15 . 1 1 36 36 LYS CA C 36 56.290 56.290 55.126 1.164 19533 6034 1 15 . 1 1 36 36 LYS CB C 36 33.390 33.390 35.840 -2.450 19533 6035 1 15 . 1 1 36 36 LYS H H 36 8.390 8.390 8.002 0.388 19533 6036 1 15 . 1 1 37 37 VAL N N 37 119.710 119.710 117.306 2.404 19533 6037 1 15 . 1 1 37 37 VAL HA H 37 5.010 5.010 4.913 0.097 19533 6038 1 15 . 1 1 37 37 VAL C C 37 175.120 175.120 174.594 0.526 19533 6039 1 15 . 1 1 37 37 VAL CA C 37 59.800 59.800 59.783 0.017 19533 6040 1 15 . 1 1 37 37 VAL CB C 37 35.260 35.260 34.667 0.593 19533 6041 1 15 . 1 1 37 37 VAL H H 37 8.130 8.130 8.264 -0.134 19533 6042 1 15 . 1 1 38 38 SER N N 38 121.650 121.650 120.029 1.621 19533 6043 1 15 . 1 1 38 38 SER HA H 38 4.810 4.810 4.911 -0.101 19533 6044 1 15 . 1 1 38 38 SER C C 38 173.290 173.290 173.310 -0.020 19533 6045 1 15 . 1 1 38 38 SER CA C 38 56.930 56.930 57.217 -0.287 19533 6046 1 15 . 1 1 38 38 SER CB C 38 64.420 64.420 66.045 -1.625 19533 6047 1 15 . 1 1 38 38 SER H H 38 9.060 9.060 9.112 -0.052 19533 6048 1 15 . 1 1 39 39 GLY N N 39 112.740 112.740 109.268 3.472 19533 6049 1 15 . 1 1 39 39 GLY CA C 39 43.180 43.180 44.549 -1.369 19533 6050 1 15 . 1 1 39 39 GLY H H 39 8.430 8.430 8.145 0.285 19533 6051 1 15 . 1 1 40 40 PRO HA H 40 4.760 4.760 4.569 0.191 19533 6052 1 15 . 1 1 40 40 PRO C C 40 175.760 175.760 175.933 -0.173 19533 6053 1 15 . 1 1 40 40 PRO CA C 40 61.350 61.350 62.770 -1.420 19533 6054 1 15 . 1 1 40 40 PRO CB C 40 34.780 34.780 32.599 2.181 19533 6055 1 15 . 1 1 41 41 ILE N N 41 125.440 125.440 123.565 1.875 19533 6056 1 15 . 1 1 41 41 ILE HA H 41 4.750 4.750 4.478 0.272 19533 6057 1 15 . 1 1 41 41 ILE CA C 41 57.700 57.700 58.853 -1.153 19533 6058 1 15 . 1 1 41 41 ILE CB C 41 40.570 40.570 37.877 2.693 19533 6059 1 15 . 1 1 41 41 ILE H H 41 9.560 9.560 9.053 0.507 19533 6060 1 15 . 1 1 42 42 PRO HA H 42 4.820 4.820 4.554 0.266 19533 6061 1 15 . 1 1 42 42 PRO C C 42 175.600 175.600 175.713 -0.113 19533 6062 1 15 . 1 1 42 42 PRO CA C 42 62.720 62.720 62.827 -0.107 19533 6063 1 15 . 1 1 42 42 PRO CB C 42 31.740 31.740 32.337 -0.597 19533 6064 1 15 . 1 1 43 43 LEU N N 43 123.010 123.010 123.847 -0.837 19533 6065 1 15 . 1 1 43 43 LEU HA H 43 4.830 4.830 4.893 -0.063 19533 6066 1 15 . 1 1 43 43 LEU CA C 43 51.960 51.960 51.599 0.360 19533 6067 1 15 . 1 1 43 43 LEU CB C 43 42.460 42.460 43.087 -0.628 19533 6068 1 15 . 1 1 43 43 LEU H H 43 7.230 7.230 8.180 -0.950 19533 6069 1 15 . 1 1 44 44 PRO HA H 44 4.370 4.370 4.488 -0.118 19533 6070 1 15 . 1 1 44 44 PRO C C 44 176.620 176.620 176.702 -0.082 19533 6071 1 15 . 1 1 44 44 PRO CA C 44 63.660 63.660 62.658 1.002 19533 6072 1 15 . 1 1 44 44 PRO CB C 44 31.780 31.780 31.751 0.029 19533 6073 1 15 . 1 1 45 45 THR N N 45 121.280 121.280 117.565 3.715 19533 6074 1 15 . 1 1 45 45 THR HA H 45 4.380 4.380 4.387 -0.007 19533 6075 1 15 . 1 1 45 45 THR CA C 45 63.240 63.240 62.220 1.020 19533 6076 1 15 . 1 1 45 45 THR CB C 45 69.520 69.520 69.552 -0.032 19533 6077 1 15 . 1 1 45 45 THR H H 45 8.360 8.360 8.171 0.189 19533 6078 1 15 . 1 1 46 46 GLU C C 46 176.830 176.830 176.460 0.370 19533 6079 1 15 . 1 1 46 46 GLU CB C 46 24.950 24.950 31.478 -6.528 19533 6080 1 15 . 1 1 47 47 SER N N 47 121.430 121.430 121.300 0.130 19533 6081 1 15 . 1 1 47 47 SER HA H 47 4.910 4.910 4.053 0.857 19533 6082 1 15 . 1 1 47 47 SER CA C 47 55.810 55.810 60.838 -5.028 19533 6083 1 15 . 1 1 47 47 SER CB C 47 64.100 64.100 62.739 1.361 19533 6084 1 15 . 1 1 47 47 SER H H 47 7.820 7.820 9.097 -1.277 19533 6085 1 15 . 1 1 48 48 ARG HA H 48 3.650 3.650 4.362 -0.712 19533 6086 1 15 . 1 1 48 48 ARG C C 48 173.650 173.650 173.913 -0.263 19533 6087 1 15 . 1 1 48 48 ARG CA C 48 58.000 58.000 55.545 2.455 19533 6088 1 15 . 1 1 48 48 ARG CB C 48 28.170 28.170 32.628 -4.458 19533 6089 1 15 . 1 1 49 49 VAL N N 49 119.480 119.480 119.869 -0.389 19533 6090 1 15 . 1 1 49 49 VAL HA H 49 3.530 3.530 4.097 -0.567 19533 6091 1 15 . 1 1 49 49 VAL C C 49 174.680 174.680 174.214 0.466 19533 6092 1 15 . 1 1 49 49 VAL CA C 49 62.880 62.880 61.331 1.549 19533 6093 1 15 . 1 1 49 49 VAL CB C 49 32.030 32.030 34.874 -2.844 19533 6094 1 15 . 1 1 49 49 VAL H H 49 7.700 7.700 8.036 -0.336 19533 6095 1 15 . 1 1 50 50 HIS N N 50 128.530 128.530 125.968 2.562 19533 6096 1 15 . 1 1 50 50 HIS HA H 50 4.720 4.720 4.904 -0.184 19533 6097 1 15 . 1 1 50 50 HIS C C 50 175.470 175.470 174.180 1.290 19533 6098 1 15 . 1 1 50 50 HIS CA C 50 55.380 55.380 55.262 0.118 19533 6099 1 15 . 1 1 50 50 HIS CB C 50 32.950 32.950 32.453 0.497 19533 6100 1 15 . 1 1 50 50 HIS H H 50 8.350 8.350 8.276 0.074 19533 6101 1 15 . 1 1 51 51 LYS N N 51 117.460 117.460 119.388 -1.928 19533 6102 1 15 . 1 1 51 51 LYS HA H 51 5.770 5.770 5.640 0.130 19533 6103 1 15 . 1 1 51 51 LYS C C 51 177.900 177.900 175.258 2.642 19533 6104 1 15 . 1 1 51 51 LYS CA C 51 55.210 55.210 55.345 -0.135 19533 6105 1 15 . 1 1 51 51 LYS CB C 51 39.360 39.360 36.260 3.100 19533 6106 1 15 . 1 1 51 51 LYS H H 51 8.940 8.940 8.745 0.195 19533 6107 1 15 . 1 1 52 52 ARG N N 52 120.830 120.830 121.221 -0.391 19533 6108 1 15 . 1 1 52 52 ARG HA H 52 5.240 5.240 5.071 0.170 19533 6109 1 15 . 1 1 52 52 ARG C C 52 173.860 173.860 174.109 -0.249 19533 6110 1 15 . 1 1 52 52 ARG CA C 52 53.070 53.070 54.868 -1.798 19533 6111 1 15 . 1 1 52 52 ARG CB C 52 34.830 34.830 34.677 0.153 19533 6112 1 15 . 1 1 52 52 ARG H H 52 8.990 8.990 8.838 0.152 19533 6113 1 15 . 1 1 53 53 LEU N N 53 122.250 122.250 121.771 0.479 19533 6114 1 15 . 1 1 53 53 LEU HA H 53 5.440 5.440 5.635 -0.195 19533 6115 1 15 . 1 1 53 53 LEU C C 53 176.140 176.140 175.541 0.599 19533 6116 1 15 . 1 1 53 53 LEU CA C 53 53.800 53.800 53.713 0.087 19533 6117 1 15 . 1 1 53 53 LEU CB C 53 46.410 46.410 46.338 0.072 19533 6118 1 15 . 1 1 53 53 LEU H H 53 8.880 8.880 9.082 -0.202 19533 6119 1 15 . 1 1 54 54 ILE N N 54 124.790 124.790 121.334 3.456 19533 6120 1 15 . 1 1 54 54 ILE HA H 54 4.420 4.420 4.519 -0.099 19533 6121 1 15 . 1 1 54 54 ILE C C 54 173.160 173.160 174.459 -1.299 19533 6122 1 15 . 1 1 54 54 ILE CA C 54 61.420 61.420 60.167 1.253 19533 6123 1 15 . 1 1 54 54 ILE CB C 54 43.480 43.480 40.651 2.829 19533 6124 1 15 . 1 1 54 54 ILE H H 54 9.280 9.280 8.752 0.528 19533 6125 1 15 . 1 1 55 55 ASP N N 55 126.260 126.260 127.925 -1.665 19533 6126 1 15 . 1 1 55 55 ASP HA H 55 5.800 5.800 4.940 0.860 19533 6127 1 15 . 1 1 55 55 ASP C C 55 175.300 175.300 175.056 0.244 19533 6128 1 15 . 1 1 55 55 ASP CA C 55 53.120 53.120 53.520 -0.400 19533 6129 1 15 . 1 1 55 55 ASP CB C 55 43.530 43.530 42.592 0.938 19533 6130 1 15 . 1 1 55 55 ASP H H 55 8.560 8.560 8.302 0.258 19533 6131 1 15 . 1 1 56 56 ILE N N 56 122.260 122.260 124.303 -2.043 19533 6132 1 15 . 1 1 56 56 ILE HA H 56 4.620 4.620 4.552 0.068 19533 6133 1 15 . 1 1 56 56 ILE C C 56 174.610 174.610 175.190 -0.580 19533 6134 1 15 . 1 1 56 56 ILE CA C 56 60.160 60.160 60.273 -0.113 19533 6135 1 15 . 1 1 56 56 ILE CB C 56 38.520 38.520 40.189 -1.669 19533 6136 1 15 . 1 1 56 56 ILE H H 56 9.100 9.100 8.704 0.396 19533 6137 1 15 . 1 1 57 57 ILE N N 57 128.860 128.860 127.553 1.307 19533 6138 1 15 . 1 1 57 57 ILE HA H 57 4.200 4.200 4.346 -0.146 19533 6139 1 15 . 1 1 57 57 ILE C C 57 174.350 174.350 175.110 -0.760 19533 6140 1 15 . 1 1 57 57 ILE CA C 57 60.810 60.810 60.218 0.592 19533 6141 1 15 . 1 1 57 57 ILE CB C 57 39.300 39.300 40.540 -1.240 19533 6142 1 15 . 1 1 57 57 ILE H H 57 8.480 8.480 8.729 -0.249 19533 6143 1 15 . 1 1 58 58 ASP N N 58 122.140 122.140 122.948 -0.808 19533 6144 1 15 . 1 1 58 58 ASP HA H 58 4.450 4.450 4.483 -0.033 19533 6145 1 15 . 1 1 58 58 ASP CA C 58 55.110 55.110 54.578 0.532 19533 6146 1 15 . 1 1 58 58 ASP CB C 58 39.500 39.500 40.725 -1.225 19533 6147 1 15 . 1 1 58 58 ASP H H 58 8.760 8.760 8.394 0.366 19533 6148 1 15 . 1 1 59 59 PRO HA H 59 4.430 4.430 4.377 0.053 19533 6149 1 15 . 1 1 59 59 PRO C C 59 176.690 176.690 175.998 0.692 19533 6150 1 15 . 1 1 59 59 PRO CA C 59 62.260 62.260 62.968 -0.708 19533 6151 1 15 . 1 1 59 59 PRO CB C 59 31.590 31.590 32.458 -0.868 19533 6152 1 15 . 1 1 60 60 SER N N 60 117.890 117.890 116.308 1.582 19533 6153 1 15 . 1 1 60 60 SER HA H 60 4.920 4.920 5.000 -0.080 19533 6154 1 15 . 1 1 60 60 SER CA C 60 56.020 56.020 55.144 0.876 19533 6155 1 15 . 1 1 60 60 SER CB C 60 64.140 64.140 65.115 -0.975 19533 6156 1 15 . 1 1 60 60 SER H H 60 8.050 8.050 7.808 0.242 19533 6157 1 15 . 1 1 61 61 PRO HA H 61 4.240 4.240 4.419 -0.179 19533 6158 1 15 . 1 1 61 61 PRO CA C 61 66.000 66.000 64.957 1.043 19533 6159 1 15 . 1 1 61 61 PRO CB C 61 32.100 32.100 31.884 0.216 19533 6160 1 15 . 1 1 62 62 LYS HA H 62 4.150 4.150 4.136 0.014 19533 6161 1 15 . 1 1 62 62 LYS C C 62 179.040 179.040 178.809 0.231 19533 6162 1 15 . 1 1 62 62 LYS CA C 62 58.690 58.690 59.456 -0.766 19533 6163 1 15 . 1 1 62 62 LYS CB C 62 32.330 32.330 31.876 0.454 19533 6164 1 15 . 1 1 63 63 THR N N 63 118.760 118.760 116.332 2.428 19533 6165 1 15 . 1 1 63 63 THR HA H 63 3.880 3.880 4.118 -0.238 19533 6166 1 15 . 1 1 63 63 THR C C 63 175.480 175.480 176.031 -0.551 19533 6167 1 15 . 1 1 63 63 THR CA C 63 66.680 66.680 66.895 -0.215 19533 6168 1 15 . 1 1 63 63 THR CB C 63 68.380 68.380 68.815 -0.435 19533 6169 1 15 . 1 1 63 63 THR H H 63 7.940 7.940 7.483 0.457 19533 6170 1 15 . 1 1 64 64 ILE N N 64 119.800 119.800 122.139 -2.339 19533 6171 1 15 . 1 1 64 64 ILE HA H 64 3.460 3.460 3.633 -0.173 19533 6172 1 15 . 1 1 64 64 ILE C C 64 176.830 176.830 177.353 -0.523 19533 6173 1 15 . 1 1 64 64 ILE CA C 64 65.180 65.180 65.015 0.165 19533 6174 1 15 . 1 1 64 64 ILE CB C 64 36.720 36.720 37.635 -0.915 19533 6175 1 15 . 1 1 64 64 ILE H H 64 7.620 7.620 7.286 0.334 19533 6176 1 15 . 1 1 65 65 ASP N N 65 118.090 118.090 120.036 -1.946 19533 6177 1 15 . 1 1 65 65 ASP HA H 65 4.220 4.220 4.329 -0.109 19533 6178 1 15 . 1 1 65 65 ASP C C 65 177.620 177.620 178.520 -0.900 19533 6179 1 15 . 1 1 65 65 ASP CA C 65 57.910 57.910 57.346 0.564 19533 6180 1 15 . 1 1 65 65 ASP CB C 65 42.150 42.150 40.061 2.089 19533 6181 1 15 . 1 1 65 65 ASP H H 65 7.790 7.790 7.860 -0.070 19533 6182 1 15 . 1 1 66 66 ALA N N 66 118.370 118.370 122.086 -3.716 19533 6183 1 15 . 1 1 66 66 ALA HA H 66 3.950 3.950 4.122 -0.172 19533 6184 1 15 . 1 1 66 66 ALA C C 66 181.140 181.140 179.653 1.487 19533 6185 1 15 . 1 1 66 66 ALA CA C 66 54.970 54.970 54.864 0.106 19533 6186 1 15 . 1 1 66 66 ALA CB C 66 18.670 18.670 18.541 0.129 19533 6187 1 15 . 1 1 66 66 ALA H H 66 7.620 7.620 7.599 0.021 19533 6188 1 15 . 1 1 67 67 LEU N N 67 118.030 118.030 119.529 -1.499 19533 6189 1 15 . 1 1 67 67 LEU HA H 67 3.950 3.950 4.016 -0.066 19533 6190 1 15 . 1 1 67 67 LEU C C 67 178.210 178.210 178.309 -0.099 19533 6191 1 15 . 1 1 67 67 LEU CA C 67 57.420 57.420 57.730 -0.311 19533 6192 1 15 . 1 1 67 67 LEU CB C 67 42.100 42.100 42.050 0.050 19533 6193 1 15 . 1 1 67 67 LEU H H 67 8.180 8.180 7.590 0.590 19533 6194 1 15 . 1 1 68 68 MET N N 68 114.280 114.280 115.782 -1.502 19533 6195 1 15 . 1 1 68 68 MET HA H 68 4.260 4.260 4.179 0.081 19533 6196 1 15 . 1 1 68 68 MET C C 68 177.050 177.050 178.415 -1.365 19533 6197 1 15 . 1 1 68 68 MET CA C 68 56.990 56.990 58.045 -1.055 19533 6198 1 15 . 1 1 68 68 MET CB C 68 32.390 32.390 32.652 -0.262 19533 6199 1 15 . 1 1 68 68 MET H H 68 7.770 7.770 7.680 0.090 19533 6200 1 15 . 1 1 69 69 ARG N N 69 115.480 115.480 117.429 -1.949 19533 6201 1 15 . 1 1 69 69 ARG HA H 69 4.410 4.410 4.286 0.124 19533 6202 1 15 . 1 1 69 69 ARG C C 69 176.480 176.480 176.997 -0.517 19533 6203 1 15 . 1 1 69 69 ARG CA C 69 55.560 55.560 57.752 -2.192 19533 6204 1 15 . 1 1 69 69 ARG CB C 69 30.970 30.970 31.216 -0.246 19533 6205 1 15 . 1 1 69 69 ARG H H 69 7.180 7.180 7.487 -0.307 19533 6206 1 15 . 1 1 70 70 ILE N N 70 119.930 119.930 120.092 -0.162 19533 6207 1 15 . 1 1 70 70 ILE HA H 70 3.930 3.930 4.136 -0.206 19533 6208 1 15 . 1 1 70 70 ILE CA C 70 62.270 62.270 60.531 1.739 19533 6209 1 15 . 1 1 70 70 ILE CB C 70 39.050 39.050 39.364 -0.314 19533 6210 1 15 . 1 1 70 70 ILE H H 70 7.070 7.070 7.546 -0.476 19533 6211 1 15 . 1 1 71 71 ASN HA H 71 4.860 4.860 4.898 -0.038 19533 6212 1 15 . 1 1 71 71 ASN C C 71 174.190 174.190 175.121 -0.931 19533 6213 1 15 . 1 1 71 71 ASN CA C 71 52.330 52.330 51.899 0.431 19533 6214 1 15 . 1 1 71 71 ASN CB C 71 39.180 39.180 39.381 -0.201 19533 6215 1 15 . 1 1 72 72 LEU N N 72 125.700 125.700 124.701 0.999 19533 6216 1 15 . 1 1 72 72 LEU HA H 72 4.610 4.610 4.385 0.225 19533 6217 1 15 . 1 1 72 72 LEU CA C 72 52.410 52.410 53.707 -1.297 19533 6218 1 15 . 1 1 72 72 LEU CB C 72 41.670 41.670 42.263 -0.593 19533 6219 1 15 . 1 1 72 72 LEU H H 72 8.440 8.440 8.337 0.103 19533 6220 1 15 . 1 1 73 73 PRO HA H 73 4.420 4.420 4.498 -0.078 19533 6221 1 15 . 1 1 73 73 PRO C C 73 176.110 176.110 175.999 0.111 19533 6222 1 15 . 1 1 73 73 PRO CA C 73 62.240 62.240 62.335 -0.095 19533 6223 1 15 . 1 1 73 73 PRO CB C 73 32.450 32.450 32.534 -0.084 19533 6224 1 15 . 1 1 74 74 ALA N N 74 123.290 123.290 123.478 -0.188 19533 6225 1 15 . 1 1 74 74 ALA HA H 74 4.170 4.170 4.111 0.059 19533 6226 1 15 . 1 1 74 74 ALA C C 74 178.430 178.430 178.769 -0.339 19533 6227 1 15 . 1 1 74 74 ALA CA C 74 53.550 53.550 52.872 0.678 19533 6228 1 15 . 1 1 74 74 ALA CB C 74 18.300 18.300 18.862 -0.562 19533 6229 1 15 . 1 1 74 74 ALA H H 74 8.160 8.160 8.214 -0.054 19533 6230 1 15 . 1 1 75 75 GLY N N 75 106.750 106.750 108.481 -1.731 19533 6231 1 15 . 1 1 75 75 GLY C C 75 174.140 174.140 173.139 1.001 19533 6232 1 15 . 1 1 75 75 GLY CA C 75 45.020 45.020 45.264 -0.244 19533 6233 1 15 . 1 1 75 75 GLY H H 75 8.420 8.420 8.515 -0.095 19533 6234 1 15 . 1 1 76 76 VAL N N 76 120.550 120.550 118.895 1.655 19533 6235 1 15 . 1 1 76 76 VAL HA H 76 4.660 4.660 5.291 -0.631 19533 6236 1 15 . 1 1 76 76 VAL C C 76 174.120 174.120 174.421 -0.301 19533 6237 1 15 . 1 1 76 76 VAL CA C 76 61.070 61.070 59.886 1.184 19533 6238 1 15 . 1 1 76 76 VAL CB C 76 32.960 32.960 34.905 -1.945 19533 6239 1 15 . 1 1 76 76 VAL H H 76 7.460 7.460 7.321 0.139 19533 6240 1 15 . 1 1 77 77 ASP N N 77 128.070 128.070 123.817 4.253 19533 6241 1 15 . 1 1 77 77 ASP HA H 77 4.970 4.970 4.861 0.109 19533 6242 1 15 . 1 1 77 77 ASP C C 77 175.020 175.020 174.653 0.367 19533 6243 1 15 . 1 1 77 77 ASP CA C 77 53.550 53.550 52.437 1.113 19533 6244 1 15 . 1 1 77 77 ASP CB C 77 43.840 43.840 44.553 -0.713 19533 6245 1 15 . 1 1 77 77 ASP H H 77 8.950 8.950 8.600 0.350 19533 6246 1 15 . 1 1 78 78 VAL N N 78 122.000 122.000 121.652 0.348 19533 6247 1 15 . 1 1 78 78 VAL HA H 78 4.850 4.850 5.139 -0.289 19533 6248 1 15 . 1 1 78 78 VAL C C 78 174.280 174.280 174.937 -0.657 19533 6249 1 15 . 1 1 78 78 VAL CA C 78 60.720 60.720 60.270 0.450 19533 6250 1 15 . 1 1 78 78 VAL CB C 78 34.600 34.600 34.178 0.422 19533 6251 1 15 . 1 1 78 78 VAL H H 78 8.460 8.460 8.338 0.122 19533 6252 1 15 . 1 1 79 79 GLU N N 79 127.380 127.380 127.246 0.134 19533 6253 1 15 . 1 1 79 79 GLU CA C 79 54.800 54.800 54.415 0.385 19533 6254 1 15 . 1 1 79 79 GLU CB C 79 33.610 33.610 33.244 0.366 19533 6255 1 15 . 1 1 79 79 GLU H H 79 8.820 8.820 8.607 0.213 19533 6256 1 16 . 1 1 3 3 GLY C C 3 174.400 174.400 175.389 -0.989 19533 6257 1 16 . 1 1 3 3 GLY CA C 3 45.570 45.570 45.823 -0.253 19533 6258 1 16 . 1 1 4 4 GLY N N 4 109.110 109.110 107.958 1.152 19533 6259 1 16 . 1 1 4 4 GLY C C 4 174.070 174.070 173.905 0.165 19533 6260 1 16 . 1 1 4 4 GLY CA C 4 45.410 45.410 44.716 0.694 19533 6261 1 16 . 1 1 4 4 GLY H H 4 8.380 8.380 7.867 0.513 19533 6262 1 16 . 1 1 5 5 GLN N N 5 119.810 119.810 120.280 -0.470 19533 6263 1 16 . 1 1 5 5 GLN HA H 5 4.470 4.470 4.575 -0.105 19533 6264 1 16 . 1 1 5 5 GLN C C 5 174.980 174.980 174.036 0.944 19533 6265 1 16 . 1 1 5 5 GLN CA C 5 56.300 56.300 54.585 1.715 19533 6266 1 16 . 1 1 5 5 GLN CB C 5 30.080 30.080 30.545 -0.465 19533 6267 1 16 . 1 1 5 5 GLN H H 5 8.280 8.280 8.094 0.186 19533 6268 1 16 . 1 1 6 6 LYS N N 6 120.240 120.240 123.502 -3.262 19533 6269 1 16 . 1 1 6 6 LYS HA H 6 5.080 5.080 5.079 0.001 19533 6270 1 16 . 1 1 6 6 LYS C C 6 175.110 175.110 175.275 -0.165 19533 6271 1 16 . 1 1 6 6 LYS CA C 6 55.330 55.330 54.679 0.651 19533 6272 1 16 . 1 1 6 6 LYS CB C 6 35.450 35.450 35.045 0.405 19533 6273 1 16 . 1 1 6 6 LYS H H 6 8.080 8.080 8.356 -0.276 19533 6274 1 16 . 1 1 7 7 ILE N N 7 120.690 120.690 123.379 -2.689 19533 6275 1 16 . 1 1 7 7 ILE HA H 7 4.540 4.540 4.405 0.135 19533 6276 1 16 . 1 1 7 7 ILE C C 7 173.880 173.880 174.916 -1.036 19533 6277 1 16 . 1 1 7 7 ILE CA C 7 60.520 60.520 60.117 0.403 19533 6278 1 16 . 1 1 7 7 ILE CB C 7 40.830 40.830 41.422 -0.592 19533 6279 1 16 . 1 1 7 7 ILE H H 7 8.770 8.770 8.485 0.285 19533 6280 1 16 . 1 1 8 8 ARG N N 8 127.060 127.060 124.982 2.078 19533 6281 1 16 . 1 1 8 8 ARG HA H 8 5.330 5.330 5.400 -0.070 19533 6282 1 16 . 1 1 8 8 ARG C C 8 174.690 174.690 175.198 -0.508 19533 6283 1 16 . 1 1 8 8 ARG CA C 8 55.070 55.070 54.807 0.263 19533 6284 1 16 . 1 1 8 8 ARG CB C 8 32.370 32.370 32.949 -0.579 19533 6285 1 16 . 1 1 8 8 ARG H H 8 8.480 8.480 8.604 -0.124 19533 6286 1 16 . 1 1 9 9 ILE N N 9 127.670 127.670 123.276 4.394 19533 6287 1 16 . 1 1 9 9 ILE HA H 9 4.800 4.800 4.489 0.311 19533 6288 1 16 . 1 1 9 9 ILE C C 9 174.380 174.380 175.363 -0.983 19533 6289 1 16 . 1 1 9 9 ILE CA C 9 60.240 60.240 57.604 2.636 19533 6290 1 16 . 1 1 9 9 ILE CB C 9 39.860 39.860 39.446 0.414 19533 6291 1 16 . 1 1 9 9 ILE H H 9 9.540 9.540 8.960 0.580 19533 6292 1 16 . 1 1 10 10 LYS N N 10 127.240 127.240 126.800 0.440 19533 6293 1 16 . 1 1 10 10 LYS HA H 10 5.220 5.220 5.285 -0.065 19533 6294 1 16 . 1 1 10 10 LYS C C 10 175.130 175.130 175.579 -0.449 19533 6295 1 16 . 1 1 10 10 LYS CA C 10 54.760 54.760 55.078 -0.319 19533 6296 1 16 . 1 1 10 10 LYS CB C 10 34.940 34.940 35.014 -0.074 19533 6297 1 16 . 1 1 10 10 LYS H H 10 9.050 9.050 8.617 0.433 19533 6298 1 16 . 1 1 11 11 LEU N N 11 124.480 124.480 124.763 -0.283 19533 6299 1 16 . 1 1 11 11 LEU HA H 11 5.450 5.450 5.523 -0.073 19533 6300 1 16 . 1 1 11 11 LEU C C 11 176.000 176.000 175.929 0.071 19533 6301 1 16 . 1 1 11 11 LEU CA C 11 53.320 53.320 53.066 0.255 19533 6302 1 16 . 1 1 11 11 LEU CB C 11 46.960 46.960 44.096 2.864 19533 6303 1 16 . 1 1 11 11 LEU H H 11 8.790 8.790 8.680 0.110 19533 6304 1 16 . 1 1 12 12 LYS N N 12 119.690 119.690 121.942 -2.252 19533 6305 1 16 . 1 1 12 12 LYS HA H 12 5.570 5.570 5.134 0.436 19533 6306 1 16 . 1 1 12 12 LYS C C 12 174.610 174.610 174.802 -0.192 19533 6307 1 16 . 1 1 12 12 LYS CA C 12 54.600 54.600 54.909 -0.309 19533 6308 1 16 . 1 1 12 12 LYS CB C 12 36.480 36.480 35.741 0.739 19533 6309 1 16 . 1 1 12 12 LYS H H 12 8.550 8.550 8.438 0.112 19533 6310 1 16 . 1 1 13 13 ALA N N 13 120.780 120.780 125.670 -4.890 19533 6311 1 16 . 1 1 13 13 ALA HA H 13 4.720 4.720 5.063 -0.343 19533 6312 1 16 . 1 1 13 13 ALA C C 13 176.120 176.120 176.581 -0.461 19533 6313 1 16 . 1 1 13 13 ALA CA C 13 52.230 52.230 51.447 0.783 19533 6314 1 16 . 1 1 13 13 ALA CB C 13 24.780 24.780 22.201 2.579 19533 6315 1 16 . 1 1 13 13 ALA H H 13 8.740 8.740 7.931 0.809 19533 6316 1 16 . 1 1 14 14 TYR N N 14 117.810 117.810 120.667 -2.857 19533 6317 1 16 . 1 1 14 14 TYR HA H 14 4.920 4.920 4.418 0.502 19533 6318 1 16 . 1 1 14 14 TYR C C 14 175.960 175.960 176.141 -0.181 19533 6319 1 16 . 1 1 14 14 TYR CA C 14 59.790 59.790 60.983 -1.193 19533 6320 1 16 . 1 1 14 14 TYR CB C 14 38.840 38.840 38.834 0.006 19533 6321 1 16 . 1 1 14 14 TYR H H 14 8.670 8.670 8.732 -0.062 19533 6322 1 16 . 1 1 15 15 ASP N N 15 118.650 118.650 117.512 1.138 19533 6323 1 16 . 1 1 15 15 ASP HA H 15 4.890 4.890 4.927 -0.037 19533 6324 1 16 . 1 1 15 15 ASP C C 15 175.980 175.980 176.864 -0.884 19533 6325 1 16 . 1 1 15 15 ASP CA C 15 52.830 52.830 53.533 -0.703 19533 6326 1 16 . 1 1 15 15 ASP CB C 15 42.420 42.420 41.537 0.883 19533 6327 1 16 . 1 1 15 15 ASP H H 15 7.390 7.390 8.006 -0.616 19533 6328 1 16 . 1 1 16 16 HIS N N 16 124.080 124.080 123.143 0.937 19533 6329 1 16 . 1 1 16 16 HIS HA H 16 3.830 3.830 4.080 -0.250 19533 6330 1 16 . 1 1 16 16 HIS C C 16 176.000 176.000 176.558 -0.558 19533 6331 1 16 . 1 1 16 16 HIS CA C 16 59.190 59.190 59.528 -0.338 19533 6332 1 16 . 1 1 16 16 HIS CB C 16 29.030 29.030 29.112 -0.082 19533 6333 1 16 . 1 1 16 16 HIS H H 16 8.190 8.190 8.626 -0.436 19533 6334 1 16 . 1 1 17 17 GLU N N 17 121.830 121.830 119.173 2.657 19533 6335 1 16 . 1 1 17 17 GLU HA H 17 4.040 4.040 3.845 0.195 19533 6336 1 16 . 1 1 17 17 GLU C C 17 179.540 179.540 177.678 1.862 19533 6337 1 16 . 1 1 17 17 GLU CA C 17 59.520 59.520 59.142 0.378 19533 6338 1 16 . 1 1 17 17 GLU CB C 17 29.020 29.020 29.042 -0.022 19533 6339 1 16 . 1 1 17 17 GLU H H 17 7.740 7.740 7.486 0.254 19533 6340 1 16 . 1 1 18 18 LEU N N 18 121.120 121.120 120.125 0.995 19533 6341 1 16 . 1 1 18 18 LEU HA H 18 4.030 4.030 4.088 -0.058 19533 6342 1 16 . 1 1 18 18 LEU C C 18 180.600 180.600 178.499 2.101 19533 6343 1 16 . 1 1 18 18 LEU CA C 18 57.050 57.050 57.348 -0.298 19533 6344 1 16 . 1 1 18 18 LEU CB C 18 42.390 42.390 41.242 1.148 19533 6345 1 16 . 1 1 18 18 LEU H H 18 7.510 7.510 7.688 -0.178 19533 6346 1 16 . 1 1 19 19 LEU N N 19 121.190 121.190 120.565 0.625 19533 6347 1 16 . 1 1 19 19 LEU HA H 19 3.750 3.750 3.947 -0.197 19533 6348 1 16 . 1 1 19 19 LEU C C 19 177.580 177.580 178.215 -0.635 19533 6349 1 16 . 1 1 19 19 LEU CA C 19 57.950 57.950 57.884 0.066 19533 6350 1 16 . 1 1 19 19 LEU CB C 19 42.100 42.100 41.783 0.317 19533 6351 1 16 . 1 1 19 19 LEU H H 19 7.780 7.780 8.183 -0.403 19533 6352 1 16 . 1 1 20 20 ASP N N 20 119.750 119.750 120.199 -0.449 19533 6353 1 16 . 1 1 20 20 ASP HA H 20 4.490 4.490 4.338 0.152 19533 6354 1 16 . 1 1 20 20 ASP C C 20 179.450 179.450 178.863 0.587 19533 6355 1 16 . 1 1 20 20 ASP CA C 20 58.070 58.070 57.703 0.367 19533 6356 1 16 . 1 1 20 20 ASP CB C 20 40.130 40.130 40.018 0.112 19533 6357 1 16 . 1 1 20 20 ASP H H 20 8.150 8.150 8.614 -0.464 19533 6358 1 16 . 1 1 21 21 GLU N N 21 120.710 120.710 120.159 0.551 19533 6359 1 16 . 1 1 21 21 GLU HA H 21 4.080 4.080 4.076 0.004 19533 6360 1 16 . 1 1 21 21 GLU C C 21 179.370 179.370 179.288 0.082 19533 6361 1 16 . 1 1 21 21 GLU CA C 21 59.210 59.210 59.366 -0.156 19533 6362 1 16 . 1 1 21 21 GLU CB C 21 29.650 29.650 29.226 0.424 19533 6363 1 16 . 1 1 21 21 GLU H H 21 8.050 8.050 7.853 0.197 19533 6364 1 16 . 1 1 22 22 SER N N 22 116.150 116.150 116.298 -0.148 19533 6365 1 16 . 1 1 22 22 SER HA H 22 4.090 4.090 4.150 -0.060 19533 6366 1 16 . 1 1 22 22 SER C C 22 175.000 175.000 176.709 -1.709 19533 6367 1 16 . 1 1 22 22 SER CA C 22 62.900 62.900 61.898 1.002 19533 6368 1 16 . 1 1 22 22 SER CB C 22 62.900 62.900 62.501 0.399 19533 6369 1 16 . 1 1 22 22 SER H H 22 7.950 7.950 7.881 0.069 19533 6370 1 16 . 1 1 23 23 ALA N N 23 123.240 123.240 124.260 -1.020 19533 6371 1 16 . 1 1 23 23 ALA HA H 23 3.760 3.760 4.033 -0.273 19533 6372 1 16 . 1 1 23 23 ALA C C 23 178.540 178.540 179.539 -0.999 19533 6373 1 16 . 1 1 23 23 ALA CA C 23 55.190 55.190 55.268 -0.078 19533 6374 1 16 . 1 1 23 23 ALA CB C 23 17.870 17.870 18.288 -0.418 19533 6375 1 16 . 1 1 23 23 ALA H H 23 8.560 8.560 8.304 0.256 19533 6376 1 16 . 1 1 24 24 LYS N N 24 116.780 116.780 118.873 -2.093 19533 6377 1 16 . 1 1 24 24 LYS HA H 24 3.840 3.840 3.915 -0.075 19533 6378 1 16 . 1 1 24 24 LYS C C 24 178.720 178.720 179.091 -0.371 19533 6379 1 16 . 1 1 24 24 LYS CA C 24 59.940 59.940 59.905 0.035 19533 6380 1 16 . 1 1 24 24 LYS CB C 24 32.250 32.250 32.355 -0.105 19533 6381 1 16 . 1 1 24 24 LYS H H 24 7.750 7.750 8.235 -0.485 19533 6382 1 16 . 1 1 25 25 LYS N N 25 118.950 118.950 119.382 -0.432 19533 6383 1 16 . 1 1 25 25 LYS HA H 25 4.040 4.040 4.045 -0.005 19533 6384 1 16 . 1 1 25 25 LYS C C 25 178.720 178.720 179.234 -0.514 19533 6385 1 16 . 1 1 25 25 LYS CA C 25 59.000 59.000 59.676 -0.676 19533 6386 1 16 . 1 1 25 25 LYS CB C 25 32.120 32.120 32.456 -0.336 19533 6387 1 16 . 1 1 25 25 LYS H H 25 7.580 7.580 8.233 -0.653 19533 6388 1 16 . 1 1 26 26 ILE N N 26 118.310 118.310 120.668 -2.358 19533 6389 1 16 . 1 1 26 26 ILE HA H 26 3.470 3.470 3.685 -0.215 19533 6390 1 16 . 1 1 26 26 ILE CA C 26 65.060 65.060 65.322 -0.262 19533 6391 1 16 . 1 1 26 26 ILE CB C 26 36.720 36.720 37.821 -1.101 19533 6392 1 16 . 1 1 26 26 ILE H H 26 7.610 7.610 8.369 -0.759 19533 6393 1 16 . 1 1 27 27 VAL N N 27 118.900 118.900 120.589 -1.689 19533 6394 1 16 . 1 1 27 27 VAL HA H 27 3.390 3.390 3.493 -0.103 19533 6395 1 16 . 1 1 27 27 VAL C C 27 177.550 177.550 178.155 -0.605 19533 6396 1 16 . 1 1 27 27 VAL CA C 27 67.630 67.630 67.639 -0.009 19533 6397 1 16 . 1 1 27 27 VAL CB C 27 31.420 31.420 31.136 0.284 19533 6398 1 16 . 1 1 27 27 VAL H H 27 7.950 7.950 8.469 -0.519 19533 6399 1 16 . 1 1 28 28 GLU N N 28 118.800 118.800 120.215 -1.415 19533 6400 1 16 . 1 1 28 28 GLU HA H 28 3.980 3.980 4.002 -0.022 19533 6401 1 16 . 1 1 28 28 GLU C C 28 180.130 180.130 179.464 0.666 19533 6402 1 16 . 1 1 28 28 GLU CA C 28 59.740 59.740 59.917 -0.177 19533 6403 1 16 . 1 1 28 28 GLU CB C 28 29.380 29.380 29.586 -0.206 19533 6404 1 16 . 1 1 28 28 GLU H H 28 8.180 8.180 8.269 -0.089 19533 6405 1 16 . 1 1 29 29 VAL N N 29 120.730 120.730 119.907 0.823 19533 6406 1 16 . 1 1 29 29 VAL HA H 29 3.710 3.710 3.750 -0.040 19533 6407 1 16 . 1 1 29 29 VAL C C 29 179.240 179.240 177.801 1.439 19533 6408 1 16 . 1 1 29 29 VAL CA C 29 66.290 66.290 66.484 -0.194 19533 6409 1 16 . 1 1 29 29 VAL CB C 29 31.420 31.420 31.845 -0.425 19533 6410 1 16 . 1 1 29 29 VAL H H 29 8.120 8.120 7.934 0.186 19533 6411 1 16 . 1 1 30 30 ALA N N 30 123.770 123.770 122.860 0.910 19533 6412 1 16 . 1 1 30 30 ALA HA H 30 3.880 3.880 3.983 -0.103 19533 6413 1 16 . 1 1 30 30 ALA C C 30 179.630 179.630 179.600 0.030 19533 6414 1 16 . 1 1 30 30 ALA CA C 30 55.560 55.560 55.467 0.093 19533 6415 1 16 . 1 1 30 30 ALA CB C 30 18.000 18.000 18.442 -0.442 19533 6416 1 16 . 1 1 30 30 ALA H H 30 8.310 8.310 8.649 -0.339 19533 6417 1 16 . 1 1 31 31 LYS N N 31 118.260 118.260 117.512 0.748 19533 6418 1 16 . 1 1 31 31 LYS HA H 31 4.200 4.200 4.043 0.157 19533 6419 1 16 . 1 1 31 31 LYS C C 31 180.710 180.710 178.099 2.611 19533 6420 1 16 . 1 1 31 31 LYS CA C 31 59.910 59.910 58.983 0.926 19533 6421 1 16 . 1 1 31 31 LYS CB C 31 32.270 32.270 32.333 -0.063 19533 6422 1 16 . 1 1 31 31 LYS H H 31 8.710 8.710 8.367 0.343 19533 6423 1 16 . 1 1 32 32 SER N N 32 115.760 115.760 111.993 3.767 19533 6424 1 16 . 1 1 32 32 SER HA H 32 4.380 4.380 4.289 0.091 19533 6425 1 16 . 1 1 32 32 SER C C 32 175.120 175.120 175.255 -0.135 19533 6426 1 16 . 1 1 32 32 SER CA C 32 61.300 61.300 60.076 1.224 19533 6427 1 16 . 1 1 32 32 SER CB C 32 63.220 63.220 63.529 -0.309 19533 6428 1 16 . 1 1 32 32 SER H H 32 8.310 8.310 7.758 0.552 19533 6429 1 16 . 1 1 33 33 THR N N 33 108.990 108.990 113.473 -4.483 19533 6430 1 16 . 1 1 33 33 THR HA H 33 4.490 4.490 4.452 0.038 19533 6431 1 16 . 1 1 33 33 THR C C 33 173.390 173.390 174.308 -0.918 19533 6432 1 16 . 1 1 33 33 THR CA C 33 60.910 60.910 61.465 -0.555 19533 6433 1 16 . 1 1 33 33 THR CB C 33 68.860 68.860 70.110 -1.250 19533 6434 1 16 . 1 1 33 33 THR H H 33 7.330 7.330 7.447 -0.117 19533 6435 1 16 . 1 1 34 34 ASN N N 34 115.250 115.250 118.885 -3.635 19533 6436 1 16 . 1 1 34 34 ASN HA H 34 4.450 4.450 4.539 -0.089 19533 6437 1 16 . 1 1 34 34 ASN C C 34 174.490 174.490 175.943 -1.453 19533 6438 1 16 . 1 1 34 34 ASN CA C 34 54.800 54.800 55.005 -0.205 19533 6439 1 16 . 1 1 34 34 ASN CB C 34 37.160 37.160 38.608 -1.448 19533 6440 1 16 . 1 1 34 34 ASN H H 34 7.910 7.910 8.732 -0.822 19533 6441 1 16 . 1 1 35 35 SER N N 35 113.160 113.160 113.382 -0.222 19533 6442 1 16 . 1 1 35 35 SER HA H 35 4.830 4.830 4.476 0.354 19533 6443 1 16 . 1 1 35 35 SER C C 35 173.250 173.250 173.761 -0.511 19533 6444 1 16 . 1 1 35 35 SER CA C 35 58.550 58.550 59.002 -0.452 19533 6445 1 16 . 1 1 35 35 SER CB C 35 64.910 64.910 64.545 0.365 19533 6446 1 16 . 1 1 35 35 SER H H 35 7.800 7.800 8.002 -0.202 19533 6447 1 16 . 1 1 36 36 LYS N N 36 123.770 123.770 121.063 2.707 19533 6448 1 16 . 1 1 36 36 LYS HA H 36 4.420 4.420 4.662 -0.242 19533 6449 1 16 . 1 1 36 36 LYS C C 36 175.270 175.270 175.307 -0.037 19533 6450 1 16 . 1 1 36 36 LYS CA C 36 56.290 56.290 55.270 1.020 19533 6451 1 16 . 1 1 36 36 LYS CB C 36 33.390 33.390 35.772 -2.382 19533 6452 1 16 . 1 1 36 36 LYS H H 36 8.390 8.390 8.225 0.165 19533 6453 1 16 . 1 1 37 37 VAL N N 37 119.710 119.710 122.216 -2.506 19533 6454 1 16 . 1 1 37 37 VAL HA H 37 5.010 5.010 4.827 0.183 19533 6455 1 16 . 1 1 37 37 VAL C C 37 175.120 175.120 175.008 0.112 19533 6456 1 16 . 1 1 37 37 VAL CA C 37 59.800 59.800 60.758 -0.958 19533 6457 1 16 . 1 1 37 37 VAL CB C 37 35.260 35.260 34.915 0.345 19533 6458 1 16 . 1 1 37 37 VAL H H 37 8.130 8.130 8.442 -0.312 19533 6459 1 16 . 1 1 38 38 SER N N 38 121.650 121.650 120.096 1.554 19533 6460 1 16 . 1 1 38 38 SER HA H 38 4.810 4.810 4.831 -0.021 19533 6461 1 16 . 1 1 38 38 SER C C 38 173.290 173.290 173.214 0.076 19533 6462 1 16 . 1 1 38 38 SER CA C 38 56.930 56.930 56.721 0.209 19533 6463 1 16 . 1 1 38 38 SER CB C 38 64.420 64.420 64.811 -0.391 19533 6464 1 16 . 1 1 38 38 SER H H 38 9.060 9.060 9.183 -0.123 19533 6465 1 16 . 1 1 39 39 GLY N N 39 112.740 112.740 112.860 -0.120 19533 6466 1 16 . 1 1 39 39 GLY CA C 39 43.180 43.180 44.498 -1.318 19533 6467 1 16 . 1 1 39 39 GLY H H 39 8.430 8.430 8.314 0.116 19533 6468 1 16 . 1 1 40 40 PRO HA H 40 4.760 4.760 4.473 0.287 19533 6469 1 16 . 1 1 40 40 PRO C C 40 175.760 175.760 176.011 -0.251 19533 6470 1 16 . 1 1 40 40 PRO CA C 40 61.350 61.350 62.960 -1.610 19533 6471 1 16 . 1 1 40 40 PRO CB C 40 34.780 34.780 32.415 2.365 19533 6472 1 16 . 1 1 41 41 ILE N N 41 125.440 125.440 123.031 2.409 19533 6473 1 16 . 1 1 41 41 ILE HA H 41 4.750 4.750 4.552 0.198 19533 6474 1 16 . 1 1 41 41 ILE CA C 41 57.700 57.700 58.522 -0.822 19533 6475 1 16 . 1 1 41 41 ILE CB C 41 40.570 40.570 38.633 1.937 19533 6476 1 16 . 1 1 41 41 ILE H H 41 9.560 9.560 8.947 0.613 19533 6477 1 16 . 1 1 42 42 PRO HA H 42 4.820 4.820 4.525 0.295 19533 6478 1 16 . 1 1 42 42 PRO C C 42 175.600 175.600 175.763 -0.163 19533 6479 1 16 . 1 1 42 42 PRO CA C 42 62.720 62.720 63.024 -0.304 19533 6480 1 16 . 1 1 42 42 PRO CB C 42 31.740 31.740 32.190 -0.450 19533 6481 1 16 . 1 1 43 43 LEU N N 43 123.010 123.010 125.092 -2.082 19533 6482 1 16 . 1 1 43 43 LEU HA H 43 4.830 4.830 4.861 -0.031 19533 6483 1 16 . 1 1 43 43 LEU CA C 43 51.960 51.960 51.619 0.341 19533 6484 1 16 . 1 1 43 43 LEU CB C 43 42.460 42.460 43.452 -0.992 19533 6485 1 16 . 1 1 43 43 LEU H H 43 7.230 7.230 8.055 -0.825 19533 6486 1 16 . 1 1 44 44 PRO HA H 44 4.370 4.370 4.529 -0.159 19533 6487 1 16 . 1 1 44 44 PRO C C 44 176.620 176.620 175.664 0.956 19533 6488 1 16 . 1 1 44 44 PRO CA C 44 63.660 63.660 62.862 0.798 19533 6489 1 16 . 1 1 44 44 PRO CB C 44 31.780 31.780 31.924 -0.144 19533 6490 1 16 . 1 1 45 45 THR N N 45 121.280 121.280 112.859 8.421 19533 6491 1 16 . 1 1 45 45 THR HA H 45 4.380 4.380 4.356 0.024 19533 6492 1 16 . 1 1 45 45 THR CA C 45 63.240 63.240 60.624 2.616 19533 6493 1 16 . 1 1 45 45 THR CB C 45 69.520 69.520 71.039 -1.519 19533 6494 1 16 . 1 1 45 45 THR H H 45 8.360 8.360 7.931 0.429 19533 6495 1 16 . 1 1 46 46 GLU C C 46 176.830 176.830 176.509 0.321 19533 6496 1 16 . 1 1 46 46 GLU CB C 46 24.950 24.950 31.768 -6.818 19533 6497 1 16 . 1 1 47 47 SER N N 47 121.430 121.430 121.485 -0.055 19533 6498 1 16 . 1 1 47 47 SER HA H 47 4.910 4.910 4.036 0.874 19533 6499 1 16 . 1 1 47 47 SER CA C 47 55.810 55.810 60.946 -5.136 19533 6500 1 16 . 1 1 47 47 SER CB C 47 64.100 64.100 62.907 1.193 19533 6501 1 16 . 1 1 47 47 SER H H 47 7.820 7.820 9.033 -1.213 19533 6502 1 16 . 1 1 48 48 ARG HA H 48 3.650 3.650 4.482 -0.832 19533 6503 1 16 . 1 1 48 48 ARG C C 48 173.650 173.650 174.049 -0.399 19533 6504 1 16 . 1 1 48 48 ARG CA C 48 58.000 58.000 55.445 2.555 19533 6505 1 16 . 1 1 48 48 ARG CB C 48 28.170 28.170 32.056 -3.886 19533 6506 1 16 . 1 1 49 49 VAL N N 49 119.480 119.480 119.457 0.023 19533 6507 1 16 . 1 1 49 49 VAL HA H 49 3.530 3.530 4.412 -0.882 19533 6508 1 16 . 1 1 49 49 VAL C C 49 174.680 174.680 174.392 0.288 19533 6509 1 16 . 1 1 49 49 VAL CA C 49 62.880 62.880 60.336 2.544 19533 6510 1 16 . 1 1 49 49 VAL CB C 49 32.030 32.030 34.685 -2.655 19533 6511 1 16 . 1 1 49 49 VAL H H 49 7.700 7.700 8.109 -0.409 19533 6512 1 16 . 1 1 50 50 HIS N N 50 128.530 128.530 125.085 3.445 19533 6513 1 16 . 1 1 50 50 HIS HA H 50 4.720 4.720 4.911 -0.191 19533 6514 1 16 . 1 1 50 50 HIS C C 50 175.470 175.470 173.965 1.505 19533 6515 1 16 . 1 1 50 50 HIS CA C 50 55.380 55.380 55.242 0.138 19533 6516 1 16 . 1 1 50 50 HIS CB C 50 32.950 32.950 32.580 0.370 19533 6517 1 16 . 1 1 50 50 HIS H H 50 8.350 8.350 8.459 -0.109 19533 6518 1 16 . 1 1 51 51 LYS N N 51 117.460 117.460 120.427 -2.967 19533 6519 1 16 . 1 1 51 51 LYS HA H 51 5.770 5.770 5.579 0.191 19533 6520 1 16 . 1 1 51 51 LYS C C 51 177.900 177.900 175.409 2.491 19533 6521 1 16 . 1 1 51 51 LYS CA C 51 55.210 55.210 55.020 0.190 19533 6522 1 16 . 1 1 51 51 LYS CB C 51 39.360 39.360 36.188 3.172 19533 6523 1 16 . 1 1 51 51 LYS H H 51 8.940 8.940 8.694 0.246 19533 6524 1 16 . 1 1 52 52 ARG N N 52 120.830 120.830 120.796 0.034 19533 6525 1 16 . 1 1 52 52 ARG HA H 52 5.240 5.240 5.066 0.174 19533 6526 1 16 . 1 1 52 52 ARG C C 52 173.860 173.860 174.130 -0.270 19533 6527 1 16 . 1 1 52 52 ARG CA C 52 53.070 53.070 54.838 -1.768 19533 6528 1 16 . 1 1 52 52 ARG CB C 52 34.830 34.830 34.446 0.385 19533 6529 1 16 . 1 1 52 52 ARG H H 52 8.990 8.990 8.407 0.583 19533 6530 1 16 . 1 1 53 53 LEU N N 53 122.250 122.250 123.676 -1.426 19533 6531 1 16 . 1 1 53 53 LEU HA H 53 5.440 5.440 5.290 0.150 19533 6532 1 16 . 1 1 53 53 LEU C C 53 176.140 176.140 174.712 1.428 19533 6533 1 16 . 1 1 53 53 LEU CA C 53 53.800 53.800 53.591 0.209 19533 6534 1 16 . 1 1 53 53 LEU CB C 53 46.410 46.410 46.138 0.272 19533 6535 1 16 . 1 1 53 53 LEU H H 53 8.880 8.880 9.211 -0.331 19533 6536 1 16 . 1 1 54 54 ILE N N 54 124.790 124.790 127.047 -2.257 19533 6537 1 16 . 1 1 54 54 ILE HA H 54 4.420 4.420 4.713 -0.293 19533 6538 1 16 . 1 1 54 54 ILE C C 54 173.160 173.160 174.567 -1.407 19533 6539 1 16 . 1 1 54 54 ILE CA C 54 61.420 61.420 60.123 1.297 19533 6540 1 16 . 1 1 54 54 ILE CB C 54 43.480 43.480 40.636 2.844 19533 6541 1 16 . 1 1 54 54 ILE H H 54 9.280 9.280 9.177 0.103 19533 6542 1 16 . 1 1 55 55 ASP N N 55 126.260 126.260 128.062 -1.802 19533 6543 1 16 . 1 1 55 55 ASP HA H 55 5.800 5.800 5.100 0.700 19533 6544 1 16 . 1 1 55 55 ASP C C 55 175.300 175.300 175.297 0.003 19533 6545 1 16 . 1 1 55 55 ASP CA C 55 53.120 53.120 53.422 -0.302 19533 6546 1 16 . 1 1 55 55 ASP CB C 55 43.530 43.530 42.584 0.946 19533 6547 1 16 . 1 1 55 55 ASP H H 55 8.560 8.560 8.688 -0.128 19533 6548 1 16 . 1 1 56 56 ILE N N 56 122.260 122.260 122.022 0.238 19533 6549 1 16 . 1 1 56 56 ILE HA H 56 4.620 4.620 4.700 -0.080 19533 6550 1 16 . 1 1 56 56 ILE C C 56 174.610 174.610 175.428 -0.818 19533 6551 1 16 . 1 1 56 56 ILE CA C 56 60.160 60.160 60.303 -0.143 19533 6552 1 16 . 1 1 56 56 ILE CB C 56 38.520 38.520 40.627 -2.107 19533 6553 1 16 . 1 1 56 56 ILE H H 56 9.100 9.100 8.970 0.130 19533 6554 1 16 . 1 1 57 57 ILE N N 57 128.860 128.860 127.293 1.567 19533 6555 1 16 . 1 1 57 57 ILE HA H 57 4.200 4.200 4.420 -0.220 19533 6556 1 16 . 1 1 57 57 ILE C C 57 174.350 174.350 175.541 -1.191 19533 6557 1 16 . 1 1 57 57 ILE CA C 57 60.810 60.810 60.298 0.512 19533 6558 1 16 . 1 1 57 57 ILE CB C 57 39.300 39.300 40.837 -1.537 19533 6559 1 16 . 1 1 57 57 ILE H H 57 8.480 8.480 9.256 -0.776 19533 6560 1 16 . 1 1 58 58 ASP N N 58 122.140 122.140 122.928 -0.788 19533 6561 1 16 . 1 1 58 58 ASP HA H 58 4.450 4.450 4.379 0.071 19533 6562 1 16 . 1 1 58 58 ASP CA C 58 55.110 55.110 54.987 0.123 19533 6563 1 16 . 1 1 58 58 ASP CB C 58 39.500 39.500 40.336 -0.836 19533 6564 1 16 . 1 1 58 58 ASP H H 58 8.760 8.760 8.511 0.249 19533 6565 1 16 . 1 1 59 59 PRO HA H 59 4.430 4.430 4.339 0.091 19533 6566 1 16 . 1 1 59 59 PRO C C 59 176.690 176.690 176.397 0.293 19533 6567 1 16 . 1 1 59 59 PRO CA C 59 62.260 62.260 63.056 -0.796 19533 6568 1 16 . 1 1 59 59 PRO CB C 59 31.590 31.590 32.486 -0.896 19533 6569 1 16 . 1 1 60 60 SER N N 60 117.890 117.890 116.121 1.769 19533 6570 1 16 . 1 1 60 60 SER HA H 60 4.920 4.920 4.750 0.170 19533 6571 1 16 . 1 1 60 60 SER CA C 60 56.020 56.020 55.682 0.338 19533 6572 1 16 . 1 1 60 60 SER CB C 60 64.140 64.140 65.472 -1.332 19533 6573 1 16 . 1 1 60 60 SER H H 60 8.050 8.050 7.885 0.166 19533 6574 1 16 . 1 1 61 61 PRO HA H 61 4.240 4.240 4.425 -0.185 19533 6575 1 16 . 1 1 61 61 PRO CA C 61 66.000 66.000 64.888 1.112 19533 6576 1 16 . 1 1 61 61 PRO CB C 61 32.100 32.100 31.994 0.106 19533 6577 1 16 . 1 1 62 62 LYS HA H 62 4.150 4.150 4.100 0.050 19533 6578 1 16 . 1 1 62 62 LYS C C 62 179.040 179.040 178.855 0.185 19533 6579 1 16 . 1 1 62 62 LYS CA C 62 58.690 58.690 59.372 -0.682 19533 6580 1 16 . 1 1 62 62 LYS CB C 62 32.330 32.330 31.986 0.344 19533 6581 1 16 . 1 1 63 63 THR N N 63 118.760 118.760 116.123 2.637 19533 6582 1 16 . 1 1 63 63 THR HA H 63 3.880 3.880 4.065 -0.185 19533 6583 1 16 . 1 1 63 63 THR C C 63 175.480 175.480 176.200 -0.720 19533 6584 1 16 . 1 1 63 63 THR CA C 63 66.680 66.680 66.845 -0.165 19533 6585 1 16 . 1 1 63 63 THR CB C 63 68.380 68.380 68.719 -0.339 19533 6586 1 16 . 1 1 63 63 THR H H 63 7.940 7.940 7.459 0.481 19533 6587 1 16 . 1 1 64 64 ILE N N 64 119.800 119.800 121.895 -2.095 19533 6588 1 16 . 1 1 64 64 ILE HA H 64 3.460 3.460 3.670 -0.210 19533 6589 1 16 . 1 1 64 64 ILE C C 64 176.830 176.830 177.534 -0.704 19533 6590 1 16 . 1 1 64 64 ILE CA C 64 65.180 65.180 64.951 0.229 19533 6591 1 16 . 1 1 64 64 ILE CB C 64 36.720 36.720 37.609 -0.889 19533 6592 1 16 . 1 1 64 64 ILE H H 64 7.620 7.620 7.324 0.296 19533 6593 1 16 . 1 1 65 65 ASP N N 65 118.090 118.090 119.999 -1.909 19533 6594 1 16 . 1 1 65 65 ASP HA H 65 4.220 4.220 4.264 -0.044 19533 6595 1 16 . 1 1 65 65 ASP C C 65 177.620 177.620 178.046 -0.426 19533 6596 1 16 . 1 1 65 65 ASP CA C 65 57.910 57.910 57.202 0.708 19533 6597 1 16 . 1 1 65 65 ASP CB C 65 42.150 42.150 40.633 1.517 19533 6598 1 16 . 1 1 65 65 ASP H H 65 7.790 7.790 7.774 0.016 19533 6599 1 16 . 1 1 66 66 ALA N N 66 118.370 118.370 121.811 -3.441 19533 6600 1 16 . 1 1 66 66 ALA HA H 66 3.950 3.950 4.087 -0.137 19533 6601 1 16 . 1 1 66 66 ALA C C 66 181.140 181.140 179.720 1.420 19533 6602 1 16 . 1 1 66 66 ALA CA C 66 54.970 54.970 54.923 0.047 19533 6603 1 16 . 1 1 66 66 ALA CB C 66 18.670 18.670 18.441 0.229 19533 6604 1 16 . 1 1 66 66 ALA H H 66 7.620 7.620 7.534 0.086 19533 6605 1 16 . 1 1 67 67 LEU N N 67 118.030 118.030 119.609 -1.579 19533 6606 1 16 . 1 1 67 67 LEU HA H 67 3.950 3.950 3.974 -0.024 19533 6607 1 16 . 1 1 67 67 LEU C C 67 178.210 178.210 178.288 -0.078 19533 6608 1 16 . 1 1 67 67 LEU CA C 67 57.420 57.420 57.809 -0.389 19533 6609 1 16 . 1 1 67 67 LEU CB C 67 42.100 42.100 41.937 0.163 19533 6610 1 16 . 1 1 67 67 LEU H H 67 8.180 8.180 7.553 0.627 19533 6611 1 16 . 1 1 68 68 MET N N 68 114.280 114.280 115.902 -1.622 19533 6612 1 16 . 1 1 68 68 MET HA H 68 4.260 4.260 4.126 0.134 19533 6613 1 16 . 1 1 68 68 MET C C 68 177.050 177.050 178.545 -1.495 19533 6614 1 16 . 1 1 68 68 MET CA C 68 56.990 56.990 58.166 -1.176 19533 6615 1 16 . 1 1 68 68 MET CB C 68 32.390 32.390 32.607 -0.217 19533 6616 1 16 . 1 1 68 68 MET H H 68 7.770 7.770 7.687 0.083 19533 6617 1 16 . 1 1 69 69 ARG N N 69 115.480 115.480 117.235 -1.755 19533 6618 1 16 . 1 1 69 69 ARG HA H 69 4.410 4.410 4.226 0.184 19533 6619 1 16 . 1 1 69 69 ARG C C 69 176.480 176.480 177.102 -0.622 19533 6620 1 16 . 1 1 69 69 ARG CA C 69 55.560 55.560 57.905 -2.345 19533 6621 1 16 . 1 1 69 69 ARG CB C 69 30.970 30.970 30.918 0.052 19533 6622 1 16 . 1 1 69 69 ARG H H 69 7.180 7.180 7.454 -0.274 19533 6623 1 16 . 1 1 70 70 ILE N N 70 119.930 119.930 119.536 0.394 19533 6624 1 16 . 1 1 70 70 ILE HA H 70 3.930 3.930 4.132 -0.202 19533 6625 1 16 . 1 1 70 70 ILE CA C 70 62.270 62.270 60.528 1.742 19533 6626 1 16 . 1 1 70 70 ILE CB C 70 39.050 39.050 39.031 0.019 19533 6627 1 16 . 1 1 70 70 ILE H H 70 7.070 7.070 7.536 -0.466 19533 6628 1 16 . 1 1 71 71 ASN HA H 71 4.860 4.860 4.801 0.059 19533 6629 1 16 . 1 1 71 71 ASN C C 71 174.190 174.190 175.302 -1.112 19533 6630 1 16 . 1 1 71 71 ASN CA C 71 52.330 52.330 52.458 -0.128 19533 6631 1 16 . 1 1 71 71 ASN CB C 71 39.180 39.180 39.565 -0.385 19533 6632 1 16 . 1 1 72 72 LEU N N 72 125.700 125.700 126.784 -1.084 19533 6633 1 16 . 1 1 72 72 LEU HA H 72 4.610 4.610 4.365 0.245 19533 6634 1 16 . 1 1 72 72 LEU CA C 72 52.410 52.410 53.904 -1.494 19533 6635 1 16 . 1 1 72 72 LEU CB C 72 41.670 41.670 41.862 -0.192 19533 6636 1 16 . 1 1 72 72 LEU H H 72 8.440 8.440 8.439 0.001 19533 6637 1 16 . 1 1 73 73 PRO HA H 73 4.420 4.420 4.466 -0.046 19533 6638 1 16 . 1 1 73 73 PRO C C 73 176.110 176.110 176.157 -0.047 19533 6639 1 16 . 1 1 73 73 PRO CA C 73 62.240 62.240 62.310 -0.070 19533 6640 1 16 . 1 1 73 73 PRO CB C 73 32.450 32.450 32.522 -0.072 19533 6641 1 16 . 1 1 74 74 ALA N N 74 123.290 123.290 123.491 -0.201 19533 6642 1 16 . 1 1 74 74 ALA HA H 74 4.170 4.170 4.104 0.066 19533 6643 1 16 . 1 1 74 74 ALA C C 74 178.430 178.430 178.834 -0.404 19533 6644 1 16 . 1 1 74 74 ALA CA C 74 53.550 53.550 53.054 0.496 19533 6645 1 16 . 1 1 74 74 ALA CB C 74 18.300 18.300 18.787 -0.487 19533 6646 1 16 . 1 1 74 74 ALA H H 74 8.160 8.160 8.246 -0.086 19533 6647 1 16 . 1 1 75 75 GLY N N 75 106.750 106.750 108.984 -2.234 19533 6648 1 16 . 1 1 75 75 GLY C C 75 174.140 174.140 173.192 0.948 19533 6649 1 16 . 1 1 75 75 GLY CA C 75 45.020 45.020 45.259 -0.239 19533 6650 1 16 . 1 1 75 75 GLY H H 75 8.420 8.420 8.532 -0.112 19533 6651 1 16 . 1 1 76 76 VAL N N 76 120.550 120.550 119.510 1.040 19533 6652 1 16 . 1 1 76 76 VAL HA H 76 4.660 4.660 5.321 -0.661 19533 6653 1 16 . 1 1 76 76 VAL C C 76 174.120 174.120 174.479 -0.359 19533 6654 1 16 . 1 1 76 76 VAL CA C 76 61.070 61.070 60.145 0.925 19533 6655 1 16 . 1 1 76 76 VAL CB C 76 32.960 32.960 34.841 -1.881 19533 6656 1 16 . 1 1 76 76 VAL H H 76 7.460 7.460 7.340 0.120 19533 6657 1 16 . 1 1 77 77 ASP N N 77 128.070 128.070 123.029 5.041 19533 6658 1 16 . 1 1 77 77 ASP HA H 77 4.970 4.970 4.952 0.018 19533 6659 1 16 . 1 1 77 77 ASP C C 77 175.020 175.020 174.507 0.513 19533 6660 1 16 . 1 1 77 77 ASP CA C 77 53.550 53.550 52.299 1.251 19533 6661 1 16 . 1 1 77 77 ASP CB C 77 43.840 43.840 44.501 -0.661 19533 6662 1 16 . 1 1 77 77 ASP H H 77 8.950 8.950 8.231 0.719 19533 6663 1 16 . 1 1 78 78 VAL N N 78 122.000 122.000 116.038 5.962 19533 6664 1 16 . 1 1 78 78 VAL HA H 78 4.850 4.850 5.400 -0.550 19533 6665 1 16 . 1 1 78 78 VAL C C 78 174.280 174.280 174.730 -0.450 19533 6666 1 16 . 1 1 78 78 VAL CA C 78 60.720 60.720 59.647 1.073 19533 6667 1 16 . 1 1 78 78 VAL CB C 78 34.600 34.600 35.830 -1.230 19533 6668 1 16 . 1 1 78 78 VAL H H 78 8.460 8.460 8.170 0.290 19533 6669 1 16 . 1 1 79 79 GLU N N 79 127.380 127.380 122.202 5.178 19533 6670 1 16 . 1 1 79 79 GLU CA C 79 54.800 54.800 54.518 0.282 19533 6671 1 16 . 1 1 79 79 GLU CB C 79 33.610 33.610 32.039 1.571 19533 6672 1 16 . 1 1 79 79 GLU H H 79 8.820 8.820 8.145 0.675 19533 6673 1 17 . 1 1 3 3 GLY C C 3 174.400 174.400 175.846 -1.446 19533 6674 1 17 . 1 1 3 3 GLY CA C 3 45.570 45.570 44.904 0.666 19533 6675 1 17 . 1 1 4 4 GLY N N 4 109.110 109.110 106.995 2.115 19533 6676 1 17 . 1 1 4 4 GLY C C 4 174.070 174.070 173.960 0.110 19533 6677 1 17 . 1 1 4 4 GLY CA C 4 45.410 45.410 45.402 0.008 19533 6678 1 17 . 1 1 4 4 GLY H H 4 8.380 8.380 8.318 0.062 19533 6679 1 17 . 1 1 5 5 GLN N N 5 119.810 119.810 119.202 0.608 19533 6680 1 17 . 1 1 5 5 GLN HA H 5 4.470 4.470 4.287 0.183 19533 6681 1 17 . 1 1 5 5 GLN C C 5 174.980 174.980 174.963 0.017 19533 6682 1 17 . 1 1 5 5 GLN CA C 5 56.300 56.300 55.765 0.535 19533 6683 1 17 . 1 1 5 5 GLN CB C 5 30.080 30.080 29.465 0.615 19533 6684 1 17 . 1 1 5 5 GLN H H 5 8.280 8.280 7.939 0.341 19533 6685 1 17 . 1 1 6 6 LYS N N 6 120.240 120.240 120.768 -0.528 19533 6686 1 17 . 1 1 6 6 LYS HA H 6 5.080 5.080 5.027 0.053 19533 6687 1 17 . 1 1 6 6 LYS C C 6 175.110 175.110 175.460 -0.350 19533 6688 1 17 . 1 1 6 6 LYS CA C 6 55.330 55.330 54.694 0.636 19533 6689 1 17 . 1 1 6 6 LYS CB C 6 35.450 35.450 35.945 -0.495 19533 6690 1 17 . 1 1 6 6 LYS H H 6 8.080 8.080 8.261 -0.181 19533 6691 1 17 . 1 1 7 7 ILE N N 7 120.690 120.690 123.016 -2.326 19533 6692 1 17 . 1 1 7 7 ILE HA H 7 4.540 4.540 4.346 0.194 19533 6693 1 17 . 1 1 7 7 ILE C C 7 173.880 173.880 174.801 -0.921 19533 6694 1 17 . 1 1 7 7 ILE CA C 7 60.520 60.520 60.074 0.446 19533 6695 1 17 . 1 1 7 7 ILE CB C 7 40.830 40.830 40.622 0.208 19533 6696 1 17 . 1 1 7 7 ILE H H 7 8.770 8.770 8.585 0.185 19533 6697 1 17 . 1 1 8 8 ARG N N 8 127.060 127.060 124.852 2.208 19533 6698 1 17 . 1 1 8 8 ARG HA H 8 5.330 5.330 5.359 -0.029 19533 6699 1 17 . 1 1 8 8 ARG C C 8 174.690 174.690 175.329 -0.639 19533 6700 1 17 . 1 1 8 8 ARG CA C 8 55.070 55.070 54.631 0.439 19533 6701 1 17 . 1 1 8 8 ARG CB C 8 32.370 32.370 33.486 -1.116 19533 6702 1 17 . 1 1 8 8 ARG H H 8 8.480 8.480 8.475 0.005 19533 6703 1 17 . 1 1 9 9 ILE N N 9 127.670 127.670 123.246 4.424 19533 6704 1 17 . 1 1 9 9 ILE HA H 9 4.800 4.800 4.384 0.416 19533 6705 1 17 . 1 1 9 9 ILE C C 9 174.380 174.380 174.338 0.042 19533 6706 1 17 . 1 1 9 9 ILE CA C 9 60.240 60.240 60.194 0.046 19533 6707 1 17 . 1 1 9 9 ILE CB C 9 39.860 39.860 41.726 -1.866 19533 6708 1 17 . 1 1 9 9 ILE H H 9 9.540 9.540 8.802 0.738 19533 6709 1 17 . 1 1 10 10 LYS N N 10 127.240 127.240 127.096 0.144 19533 6710 1 17 . 1 1 10 10 LYS HA H 10 5.220 5.220 5.133 0.087 19533 6711 1 17 . 1 1 10 10 LYS C C 10 175.130 175.130 175.081 0.049 19533 6712 1 17 . 1 1 10 10 LYS CA C 10 54.760 54.760 55.005 -0.245 19533 6713 1 17 . 1 1 10 10 LYS CB C 10 34.940 34.940 34.802 0.138 19533 6714 1 17 . 1 1 10 10 LYS H H 10 9.050 9.050 8.650 0.400 19533 6715 1 17 . 1 1 11 11 LEU N N 11 124.480 124.480 127.425 -2.945 19533 6716 1 17 . 1 1 11 11 LEU HA H 11 5.450 5.450 5.126 0.324 19533 6717 1 17 . 1 1 11 11 LEU C C 11 176.000 176.000 175.947 0.053 19533 6718 1 17 . 1 1 11 11 LEU CA C 11 53.320 53.320 53.840 -0.520 19533 6719 1 17 . 1 1 11 11 LEU CB C 11 46.960 46.960 43.121 3.839 19533 6720 1 17 . 1 1 11 11 LEU H H 11 8.790 8.790 8.996 -0.206 19533 6721 1 17 . 1 1 12 12 LYS N N 12 119.690 119.690 123.723 -4.033 19533 6722 1 17 . 1 1 12 12 LYS HA H 12 5.570 5.570 5.176 0.394 19533 6723 1 17 . 1 1 12 12 LYS C C 12 174.610 174.610 175.046 -0.436 19533 6724 1 17 . 1 1 12 12 LYS CA C 12 54.600 54.600 54.934 -0.334 19533 6725 1 17 . 1 1 12 12 LYS CB C 12 36.480 36.480 35.546 0.934 19533 6726 1 17 . 1 1 12 12 LYS H H 12 8.550 8.550 8.567 -0.017 19533 6727 1 17 . 1 1 13 13 ALA N N 13 120.780 120.780 124.866 -4.086 19533 6728 1 17 . 1 1 13 13 ALA HA H 13 4.720 4.720 4.556 0.164 19533 6729 1 17 . 1 1 13 13 ALA C C 13 176.120 176.120 175.933 0.187 19533 6730 1 17 . 1 1 13 13 ALA CA C 13 52.230 52.230 51.938 0.292 19533 6731 1 17 . 1 1 13 13 ALA CB C 13 24.780 24.780 21.445 3.335 19533 6732 1 17 . 1 1 13 13 ALA H H 13 8.740 8.740 8.256 0.484 19533 6733 1 17 . 1 1 14 14 TYR N N 14 117.810 117.810 120.090 -2.280 19533 6734 1 17 . 1 1 14 14 TYR HA H 14 4.920 4.920 4.410 0.510 19533 6735 1 17 . 1 1 14 14 TYR C C 14 175.960 175.960 176.280 -0.320 19533 6736 1 17 . 1 1 14 14 TYR CA C 14 59.790 59.790 60.631 -0.841 19533 6737 1 17 . 1 1 14 14 TYR CB C 14 38.840 38.840 38.943 -0.103 19533 6738 1 17 . 1 1 14 14 TYR H H 14 8.670 8.670 8.865 -0.195 19533 6739 1 17 . 1 1 15 15 ASP N N 15 118.650 118.650 117.873 0.777 19533 6740 1 17 . 1 1 15 15 ASP HA H 15 4.890 4.890 4.915 -0.025 19533 6741 1 17 . 1 1 15 15 ASP C C 15 175.980 175.980 176.868 -0.888 19533 6742 1 17 . 1 1 15 15 ASP CA C 15 52.830 52.830 53.159 -0.329 19533 6743 1 17 . 1 1 15 15 ASP CB C 15 42.420 42.420 41.444 0.976 19533 6744 1 17 . 1 1 15 15 ASP H H 15 7.390 7.390 7.994 -0.604 19533 6745 1 17 . 1 1 16 16 HIS N N 16 124.080 124.080 124.504 -0.424 19533 6746 1 17 . 1 1 16 16 HIS HA H 16 3.830 3.830 4.299 -0.469 19533 6747 1 17 . 1 1 16 16 HIS C C 16 176.000 176.000 176.620 -0.620 19533 6748 1 17 . 1 1 16 16 HIS CA C 16 59.190 59.190 58.278 0.912 19533 6749 1 17 . 1 1 16 16 HIS CB C 16 29.030 29.030 29.399 -0.369 19533 6750 1 17 . 1 1 16 16 HIS H H 16 8.190 8.190 9.134 -0.944 19533 6751 1 17 . 1 1 17 17 GLU N N 17 121.830 121.830 119.909 1.921 19533 6752 1 17 . 1 1 17 17 GLU HA H 17 4.040 4.040 3.738 0.302 19533 6753 1 17 . 1 1 17 17 GLU C C 17 179.540 179.540 178.703 0.837 19533 6754 1 17 . 1 1 17 17 GLU CA C 17 59.520 59.520 58.647 0.873 19533 6755 1 17 . 1 1 17 17 GLU CB C 17 29.020 29.020 28.695 0.325 19533 6756 1 17 . 1 1 17 17 GLU H H 17 7.740 7.740 7.614 0.126 19533 6757 1 17 . 1 1 18 18 LEU N N 18 121.120 121.120 119.275 1.845 19533 6758 1 17 . 1 1 18 18 LEU HA H 18 4.030 4.030 4.075 -0.045 19533 6759 1 17 . 1 1 18 18 LEU C C 18 180.600 180.600 179.426 1.174 19533 6760 1 17 . 1 1 18 18 LEU CA C 18 57.050 57.050 57.466 -0.416 19533 6761 1 17 . 1 1 18 18 LEU CB C 18 42.390 42.390 41.609 0.781 19533 6762 1 17 . 1 1 18 18 LEU H H 18 7.510 7.510 7.365 0.145 19533 6763 1 17 . 1 1 19 19 LEU N N 19 121.190 121.190 118.915 2.275 19533 6764 1 17 . 1 1 19 19 LEU HA H 19 3.750 3.750 3.927 -0.177 19533 6765 1 17 . 1 1 19 19 LEU C C 19 177.580 177.580 178.748 -1.168 19533 6766 1 17 . 1 1 19 19 LEU CA C 19 57.950 57.950 57.950 -0.000 19533 6767 1 17 . 1 1 19 19 LEU CB C 19 42.100 42.100 41.181 0.919 19533 6768 1 17 . 1 1 19 19 LEU H H 19 7.780 7.780 7.360 0.420 19533 6769 1 17 . 1 1 20 20 ASP N N 20 119.750 119.750 119.809 -0.059 19533 6770 1 17 . 1 1 20 20 ASP HA H 20 4.490 4.490 4.315 0.175 19533 6771 1 17 . 1 1 20 20 ASP C C 20 179.450 179.450 178.408 1.042 19533 6772 1 17 . 1 1 20 20 ASP CA C 20 58.070 58.070 57.772 0.298 19533 6773 1 17 . 1 1 20 20 ASP CB C 20 40.130 40.130 40.610 -0.480 19533 6774 1 17 . 1 1 20 20 ASP H H 20 8.150 8.150 8.035 0.115 19533 6775 1 17 . 1 1 21 21 GLU N N 21 120.710 120.710 119.618 1.092 19533 6776 1 17 . 1 1 21 21 GLU HA H 21 4.080 4.080 4.051 0.029 19533 6777 1 17 . 1 1 21 21 GLU C C 21 179.370 179.370 178.986 0.384 19533 6778 1 17 . 1 1 21 21 GLU CA C 21 59.210 59.210 59.588 -0.378 19533 6779 1 17 . 1 1 21 21 GLU CB C 21 29.650 29.650 29.826 -0.176 19533 6780 1 17 . 1 1 21 21 GLU H H 21 8.050 8.050 7.837 0.213 19533 6781 1 17 . 1 1 22 22 SER N N 22 116.150 116.150 115.801 0.349 19533 6782 1 17 . 1 1 22 22 SER HA H 22 4.090 4.090 4.172 -0.082 19533 6783 1 17 . 1 1 22 22 SER C C 22 175.000 175.000 176.750 -1.750 19533 6784 1 17 . 1 1 22 22 SER CA C 22 62.900 62.900 61.854 1.046 19533 6785 1 17 . 1 1 22 22 SER CB C 22 62.900 62.900 63.063 -0.163 19533 6786 1 17 . 1 1 22 22 SER H H 22 7.950 7.950 8.057 -0.107 19533 6787 1 17 . 1 1 23 23 ALA N N 23 123.240 123.240 124.195 -0.955 19533 6788 1 17 . 1 1 23 23 ALA HA H 23 3.760 3.760 4.118 -0.358 19533 6789 1 17 . 1 1 23 23 ALA C C 23 178.540 178.540 179.079 -0.539 19533 6790 1 17 . 1 1 23 23 ALA CA C 23 55.190 55.190 55.280 -0.090 19533 6791 1 17 . 1 1 23 23 ALA CB C 23 17.870 17.870 18.253 -0.383 19533 6792 1 17 . 1 1 23 23 ALA H H 23 8.560 8.560 8.472 0.088 19533 6793 1 17 . 1 1 24 24 LYS N N 24 116.780 116.780 119.145 -2.365 19533 6794 1 17 . 1 1 24 24 LYS HA H 24 3.840 3.840 3.946 -0.106 19533 6795 1 17 . 1 1 24 24 LYS C C 24 178.720 178.720 178.782 -0.062 19533 6796 1 17 . 1 1 24 24 LYS CA C 24 59.940 59.940 59.881 0.059 19533 6797 1 17 . 1 1 24 24 LYS CB C 24 32.250 32.250 32.335 -0.085 19533 6798 1 17 . 1 1 24 24 LYS H H 24 7.750 7.750 8.101 -0.351 19533 6799 1 17 . 1 1 25 25 LYS N N 25 118.950 118.950 118.539 0.411 19533 6800 1 17 . 1 1 25 25 LYS HA H 25 4.040 4.040 4.065 -0.025 19533 6801 1 17 . 1 1 25 25 LYS C C 25 178.720 178.720 179.245 -0.525 19533 6802 1 17 . 1 1 25 25 LYS CA C 25 59.000 59.000 59.599 -0.599 19533 6803 1 17 . 1 1 25 25 LYS CB C 25 32.120 32.120 32.429 -0.309 19533 6804 1 17 . 1 1 25 25 LYS H H 25 7.580 7.580 7.812 -0.232 19533 6805 1 17 . 1 1 26 26 ILE N N 26 118.310 118.310 120.616 -2.306 19533 6806 1 17 . 1 1 26 26 ILE HA H 26 3.470 3.470 3.689 -0.219 19533 6807 1 17 . 1 1 26 26 ILE CA C 26 65.060 65.060 65.297 -0.237 19533 6808 1 17 . 1 1 26 26 ILE CB C 26 36.720 36.720 37.781 -1.061 19533 6809 1 17 . 1 1 26 26 ILE H H 26 7.610 7.610 7.929 -0.319 19533 6810 1 17 . 1 1 27 27 VAL N N 27 118.900 118.900 121.058 -2.158 19533 6811 1 17 . 1 1 27 27 VAL HA H 27 3.390 3.390 3.468 -0.078 19533 6812 1 17 . 1 1 27 27 VAL C C 27 177.550 177.550 178.217 -0.667 19533 6813 1 17 . 1 1 27 27 VAL CA C 27 67.630 67.630 67.416 0.214 19533 6814 1 17 . 1 1 27 27 VAL CB C 27 31.420 31.420 31.090 0.330 19533 6815 1 17 . 1 1 27 27 VAL H H 27 7.950 7.950 8.658 -0.708 19533 6816 1 17 . 1 1 28 28 GLU N N 28 118.800 118.800 119.899 -1.099 19533 6817 1 17 . 1 1 28 28 GLU HA H 28 3.980 3.980 3.999 -0.019 19533 6818 1 17 . 1 1 28 28 GLU C C 28 180.130 180.130 179.451 0.679 19533 6819 1 17 . 1 1 28 28 GLU CA C 28 59.740 59.740 59.751 -0.011 19533 6820 1 17 . 1 1 28 28 GLU CB C 28 29.380 29.380 29.618 -0.238 19533 6821 1 17 . 1 1 28 28 GLU H H 28 8.180 8.180 8.397 -0.217 19533 6822 1 17 . 1 1 29 29 VAL N N 29 120.730 120.730 119.458 1.272 19533 6823 1 17 . 1 1 29 29 VAL HA H 29 3.710 3.710 3.799 -0.089 19533 6824 1 17 . 1 1 29 29 VAL C C 29 179.240 179.240 178.319 0.921 19533 6825 1 17 . 1 1 29 29 VAL CA C 29 66.290 66.290 64.959 1.331 19533 6826 1 17 . 1 1 29 29 VAL CB C 29 31.420 31.420 30.831 0.589 19533 6827 1 17 . 1 1 29 29 VAL H H 29 8.120 8.120 8.167 -0.047 19533 6828 1 17 . 1 1 30 30 ALA N N 30 123.770 123.770 122.800 0.970 19533 6829 1 17 . 1 1 30 30 ALA HA H 30 3.880 3.880 4.048 -0.168 19533 6830 1 17 . 1 1 30 30 ALA C C 30 179.630 179.630 180.013 -0.383 19533 6831 1 17 . 1 1 30 30 ALA CA C 30 55.560 55.560 54.970 0.590 19533 6832 1 17 . 1 1 30 30 ALA CB C 30 18.000 18.000 18.418 -0.417 19533 6833 1 17 . 1 1 30 30 ALA H H 30 8.310 8.310 8.603 -0.293 19533 6834 1 17 . 1 1 31 31 LYS N N 31 118.260 118.260 118.384 -0.124 19533 6835 1 17 . 1 1 31 31 LYS HA H 31 4.200 4.200 3.997 0.203 19533 6836 1 17 . 1 1 31 31 LYS C C 31 180.710 180.710 177.960 2.750 19533 6837 1 17 . 1 1 31 31 LYS CA C 31 59.910 59.910 58.851 1.059 19533 6838 1 17 . 1 1 31 31 LYS CB C 31 32.270 32.270 32.383 -0.113 19533 6839 1 17 . 1 1 31 31 LYS H H 31 8.710 8.710 8.389 0.321 19533 6840 1 17 . 1 1 32 32 SER N N 32 115.760 115.760 111.942 3.818 19533 6841 1 17 . 1 1 32 32 SER HA H 32 4.380 4.380 4.317 0.063 19533 6842 1 17 . 1 1 32 32 SER C C 32 175.120 175.120 175.250 -0.130 19533 6843 1 17 . 1 1 32 32 SER CA C 32 61.300 61.300 60.158 1.141 19533 6844 1 17 . 1 1 32 32 SER CB C 32 63.220 63.220 63.263 -0.043 19533 6845 1 17 . 1 1 32 32 SER H H 32 8.310 8.310 7.720 0.590 19533 6846 1 17 . 1 1 33 33 THR N N 33 108.990 108.990 117.785 -8.795 19533 6847 1 17 . 1 1 33 33 THR HA H 33 4.490 4.490 4.396 0.093 19533 6848 1 17 . 1 1 33 33 THR C C 33 173.390 173.390 174.366 -0.976 19533 6849 1 17 . 1 1 33 33 THR CA C 33 60.910 60.910 63.074 -2.164 19533 6850 1 17 . 1 1 33 33 THR CB C 33 68.860 68.860 69.657 -0.797 19533 6851 1 17 . 1 1 33 33 THR H H 33 7.330 7.330 7.516 -0.186 19533 6852 1 17 . 1 1 34 34 ASN N N 34 115.250 115.250 119.747 -4.497 19533 6853 1 17 . 1 1 34 34 ASN HA H 34 4.450 4.450 4.413 0.036 19533 6854 1 17 . 1 1 34 34 ASN C C 34 174.490 174.490 175.991 -1.501 19533 6855 1 17 . 1 1 34 34 ASN CA C 34 54.800 54.800 55.031 -0.231 19533 6856 1 17 . 1 1 34 34 ASN CB C 34 37.160 37.160 38.343 -1.183 19533 6857 1 17 . 1 1 34 34 ASN H H 34 7.910 7.910 8.663 -0.753 19533 6858 1 17 . 1 1 35 35 SER N N 35 113.160 113.160 114.545 -1.385 19533 6859 1 17 . 1 1 35 35 SER HA H 35 4.830 4.830 4.789 0.041 19533 6860 1 17 . 1 1 35 35 SER C C 35 173.250 173.250 173.910 -0.660 19533 6861 1 17 . 1 1 35 35 SER CA C 35 58.550 58.550 58.750 -0.200 19533 6862 1 17 . 1 1 35 35 SER CB C 35 64.910 64.910 64.345 0.565 19533 6863 1 17 . 1 1 35 35 SER H H 35 7.800 7.800 7.898 -0.098 19533 6864 1 17 . 1 1 36 36 LYS N N 36 123.770 123.770 120.643 3.127 19533 6865 1 17 . 1 1 36 36 LYS HA H 36 4.420 4.420 4.655 -0.235 19533 6866 1 17 . 1 1 36 36 LYS C C 36 175.270 175.270 175.233 0.037 19533 6867 1 17 . 1 1 36 36 LYS CA C 36 56.290 56.290 55.245 1.045 19533 6868 1 17 . 1 1 36 36 LYS CB C 36 33.390 33.390 35.545 -2.155 19533 6869 1 17 . 1 1 36 36 LYS H H 36 8.390 8.390 8.013 0.377 19533 6870 1 17 . 1 1 37 37 VAL N N 37 119.710 119.710 121.799 -2.089 19533 6871 1 17 . 1 1 37 37 VAL HA H 37 5.010 5.010 4.727 0.283 19533 6872 1 17 . 1 1 37 37 VAL C C 37 175.120 175.120 174.683 0.437 19533 6873 1 17 . 1 1 37 37 VAL CA C 37 59.800 59.800 59.464 0.336 19533 6874 1 17 . 1 1 37 37 VAL CB C 37 35.260 35.260 34.140 1.120 19533 6875 1 17 . 1 1 37 37 VAL H H 37 8.130 8.130 8.414 -0.284 19533 6876 1 17 . 1 1 38 38 SER N N 38 121.650 121.650 121.965 -0.315 19533 6877 1 17 . 1 1 38 38 SER HA H 38 4.810 4.810 4.946 -0.136 19533 6878 1 17 . 1 1 38 38 SER C C 38 173.290 173.290 173.175 0.115 19533 6879 1 17 . 1 1 38 38 SER CA C 38 56.930 56.930 56.803 0.127 19533 6880 1 17 . 1 1 38 38 SER CB C 38 64.420 64.420 66.087 -1.667 19533 6881 1 17 . 1 1 38 38 SER H H 38 9.060 9.060 9.141 -0.081 19533 6882 1 17 . 1 1 39 39 GLY N N 39 112.740 112.740 110.771 1.969 19533 6883 1 17 . 1 1 39 39 GLY CA C 39 43.180 43.180 44.648 -1.468 19533 6884 1 17 . 1 1 39 39 GLY H H 39 8.430 8.430 8.150 0.280 19533 6885 1 17 . 1 1 40 40 PRO HA H 40 4.760 4.760 4.543 0.217 19533 6886 1 17 . 1 1 40 40 PRO C C 40 175.760 175.760 175.720 0.040 19533 6887 1 17 . 1 1 40 40 PRO CA C 40 61.350 61.350 63.167 -1.817 19533 6888 1 17 . 1 1 40 40 PRO CB C 40 34.780 34.780 32.729 2.051 19533 6889 1 17 . 1 1 41 41 ILE N N 41 125.440 125.440 124.303 1.137 19533 6890 1 17 . 1 1 41 41 ILE HA H 41 4.750 4.750 4.420 0.330 19533 6891 1 17 . 1 1 41 41 ILE CA C 41 57.700 57.700 58.823 -1.123 19533 6892 1 17 . 1 1 41 41 ILE CB C 41 40.570 40.570 39.059 1.511 19533 6893 1 17 . 1 1 41 41 ILE H H 41 9.560 9.560 9.045 0.515 19533 6894 1 17 . 1 1 42 42 PRO HA H 42 4.820 4.820 4.500 0.320 19533 6895 1 17 . 1 1 42 42 PRO C C 42 175.600 175.600 175.937 -0.337 19533 6896 1 17 . 1 1 42 42 PRO CA C 42 62.720 62.720 62.878 -0.158 19533 6897 1 17 . 1 1 42 42 PRO CB C 42 31.740 31.740 31.719 0.021 19533 6898 1 17 . 1 1 43 43 LEU N N 43 123.010 123.010 126.707 -3.697 19533 6899 1 17 . 1 1 43 43 LEU HA H 43 4.830 4.830 4.812 0.018 19533 6900 1 17 . 1 1 43 43 LEU CA C 43 51.960 51.960 51.930 0.030 19533 6901 1 17 . 1 1 43 43 LEU CB C 43 42.460 42.460 42.094 0.366 19533 6902 1 17 . 1 1 43 43 LEU H H 43 7.230 7.230 8.077 -0.847 19533 6903 1 17 . 1 1 44 44 PRO HA H 44 4.370 4.370 4.509 -0.139 19533 6904 1 17 . 1 1 44 44 PRO C C 44 176.620 176.620 175.736 0.884 19533 6905 1 17 . 1 1 44 44 PRO CA C 44 63.660 63.660 62.697 0.963 19533 6906 1 17 . 1 1 44 44 PRO CB C 44 31.780 31.780 32.014 -0.234 19533 6907 1 17 . 1 1 45 45 THR N N 45 121.280 121.280 117.332 3.948 19533 6908 1 17 . 1 1 45 45 THR HA H 45 4.380 4.380 4.756 -0.376 19533 6909 1 17 . 1 1 45 45 THR CA C 45 63.240 63.240 62.563 0.677 19533 6910 1 17 . 1 1 45 45 THR CB C 45 69.520 69.520 70.039 -0.519 19533 6911 1 17 . 1 1 45 45 THR H H 45 8.360 8.360 8.164 0.196 19533 6912 1 17 . 1 1 46 46 GLU C C 46 176.830 176.830 175.802 1.028 19533 6913 1 17 . 1 1 46 46 GLU CB C 46 24.950 24.950 33.143 -8.193 19533 6914 1 17 . 1 1 47 47 SER N N 47 121.430 121.430 118.239 3.191 19533 6915 1 17 . 1 1 47 47 SER HA H 47 4.910 4.910 4.072 0.838 19533 6916 1 17 . 1 1 47 47 SER CA C 47 55.810 55.810 58.979 -3.169 19533 6917 1 17 . 1 1 47 47 SER CB C 47 64.100 64.100 62.678 1.422 19533 6918 1 17 . 1 1 47 47 SER H H 47 7.820 7.820 9.048 -1.228 19533 6919 1 17 . 1 1 48 48 ARG HA H 48 3.650 3.650 3.888 -0.238 19533 6920 1 17 . 1 1 48 48 ARG C C 48 173.650 173.650 174.688 -1.038 19533 6921 1 17 . 1 1 48 48 ARG CA C 48 58.000 58.000 56.934 1.066 19533 6922 1 17 . 1 1 48 48 ARG CB C 48 28.170 28.170 28.341 -0.171 19533 6923 1 17 . 1 1 49 49 VAL N N 49 119.480 119.480 117.497 1.983 19533 6924 1 17 . 1 1 49 49 VAL HA H 49 3.530 3.530 4.151 -0.621 19533 6925 1 17 . 1 1 49 49 VAL C C 49 174.680 174.680 174.806 -0.126 19533 6926 1 17 . 1 1 49 49 VAL CA C 49 62.880 62.880 60.697 2.183 19533 6927 1 17 . 1 1 49 49 VAL CB C 49 32.030 32.030 34.643 -2.613 19533 6928 1 17 . 1 1 49 49 VAL H H 49 7.700 7.700 7.747 -0.047 19533 6929 1 17 . 1 1 50 50 HIS N N 50 128.530 128.530 125.507 3.023 19533 6930 1 17 . 1 1 50 50 HIS HA H 50 4.720 4.720 4.903 -0.183 19533 6931 1 17 . 1 1 50 50 HIS C C 50 175.470 175.470 174.083 1.387 19533 6932 1 17 . 1 1 50 50 HIS CA C 50 55.380 55.380 54.833 0.547 19533 6933 1 17 . 1 1 50 50 HIS CB C 50 32.950 32.950 32.005 0.945 19533 6934 1 17 . 1 1 50 50 HIS H H 50 8.350 8.350 8.237 0.113 19533 6935 1 17 . 1 1 51 51 LYS N N 51 117.460 117.460 120.236 -2.776 19533 6936 1 17 . 1 1 51 51 LYS HA H 51 5.770 5.770 5.592 0.178 19533 6937 1 17 . 1 1 51 51 LYS C C 51 177.900 177.900 175.555 2.345 19533 6938 1 17 . 1 1 51 51 LYS CA C 51 55.210 55.210 54.987 0.223 19533 6939 1 17 . 1 1 51 51 LYS CB C 51 39.360 39.360 36.606 2.754 19533 6940 1 17 . 1 1 51 51 LYS H H 51 8.940 8.940 8.727 0.213 19533 6941 1 17 . 1 1 52 52 ARG N N 52 120.830 120.830 120.283 0.547 19533 6942 1 17 . 1 1 52 52 ARG HA H 52 5.240 5.240 5.171 0.069 19533 6943 1 17 . 1 1 52 52 ARG C C 52 173.860 173.860 174.336 -0.476 19533 6944 1 17 . 1 1 52 52 ARG CA C 52 53.070 53.070 54.774 -1.704 19533 6945 1 17 . 1 1 52 52 ARG CB C 52 34.830 34.830 34.722 0.108 19533 6946 1 17 . 1 1 52 52 ARG H H 52 8.990 8.990 8.977 0.013 19533 6947 1 17 . 1 1 53 53 LEU N N 53 122.250 122.250 123.905 -1.655 19533 6948 1 17 . 1 1 53 53 LEU HA H 53 5.440 5.440 5.353 0.087 19533 6949 1 17 . 1 1 53 53 LEU C C 53 176.140 176.140 174.630 1.510 19533 6950 1 17 . 1 1 53 53 LEU CA C 53 53.800 53.800 53.083 0.717 19533 6951 1 17 . 1 1 53 53 LEU CB C 53 46.410 46.410 46.202 0.208 19533 6952 1 17 . 1 1 53 53 LEU H H 53 8.880 8.880 9.059 -0.179 19533 6953 1 17 . 1 1 54 54 ILE N N 54 124.790 124.790 126.057 -1.267 19533 6954 1 17 . 1 1 54 54 ILE HA H 54 4.420 4.420 4.745 -0.325 19533 6955 1 17 . 1 1 54 54 ILE C C 54 173.160 173.160 174.588 -1.428 19533 6956 1 17 . 1 1 54 54 ILE CA C 54 61.420 61.420 60.053 1.367 19533 6957 1 17 . 1 1 54 54 ILE CB C 54 43.480 43.480 40.250 3.230 19533 6958 1 17 . 1 1 54 54 ILE H H 54 9.280 9.280 9.097 0.183 19533 6959 1 17 . 1 1 55 55 ASP N N 55 126.260 126.260 128.466 -2.206 19533 6960 1 17 . 1 1 55 55 ASP HA H 55 5.800 5.800 5.100 0.700 19533 6961 1 17 . 1 1 55 55 ASP C C 55 175.300 175.300 175.201 0.099 19533 6962 1 17 . 1 1 55 55 ASP CA C 55 53.120 53.120 53.355 -0.235 19533 6963 1 17 . 1 1 55 55 ASP CB C 55 43.530 43.530 42.750 0.780 19533 6964 1 17 . 1 1 55 55 ASP H H 55 8.560 8.560 8.459 0.101 19533 6965 1 17 . 1 1 56 56 ILE N N 56 122.260 122.260 121.664 0.596 19533 6966 1 17 . 1 1 56 56 ILE HA H 56 4.620 4.620 4.615 0.005 19533 6967 1 17 . 1 1 56 56 ILE C C 56 174.610 174.610 175.377 -0.767 19533 6968 1 17 . 1 1 56 56 ILE CA C 56 60.160 60.160 60.352 -0.192 19533 6969 1 17 . 1 1 56 56 ILE CB C 56 38.520 38.520 40.325 -1.804 19533 6970 1 17 . 1 1 56 56 ILE H H 56 9.100 9.100 8.757 0.343 19533 6971 1 17 . 1 1 57 57 ILE N N 57 128.860 128.860 128.017 0.843 19533 6972 1 17 . 1 1 57 57 ILE HA H 57 4.200 4.200 4.315 -0.115 19533 6973 1 17 . 1 1 57 57 ILE C C 57 174.350 174.350 175.072 -0.722 19533 6974 1 17 . 1 1 57 57 ILE CA C 57 60.810 60.810 60.302 0.508 19533 6975 1 17 . 1 1 57 57 ILE CB C 57 39.300 39.300 40.414 -1.114 19533 6976 1 17 . 1 1 57 57 ILE H H 57 8.480 8.480 8.987 -0.507 19533 6977 1 17 . 1 1 58 58 ASP N N 58 122.140 122.140 122.694 -0.554 19533 6978 1 17 . 1 1 58 58 ASP HA H 58 4.450 4.450 4.370 0.080 19533 6979 1 17 . 1 1 58 58 ASP CA C 58 55.110 55.110 54.120 0.990 19533 6980 1 17 . 1 1 58 58 ASP CB C 58 39.500 39.500 40.559 -1.059 19533 6981 1 17 . 1 1 58 58 ASP H H 58 8.760 8.760 8.362 0.398 19533 6982 1 17 . 1 1 59 59 PRO HA H 59 4.430 4.430 4.432 -0.002 19533 6983 1 17 . 1 1 59 59 PRO C C 59 176.690 176.690 175.901 0.789 19533 6984 1 17 . 1 1 59 59 PRO CA C 59 62.260 62.260 63.134 -0.874 19533 6985 1 17 . 1 1 59 59 PRO CB C 59 31.590 31.590 32.815 -1.224 19533 6986 1 17 . 1 1 60 60 SER N N 60 117.890 117.890 114.685 3.205 19533 6987 1 17 . 1 1 60 60 SER HA H 60 4.920 4.920 4.910 0.010 19533 6988 1 17 . 1 1 60 60 SER CA C 60 56.020 56.020 55.279 0.742 19533 6989 1 17 . 1 1 60 60 SER CB C 60 64.140 64.140 65.433 -1.293 19533 6990 1 17 . 1 1 60 60 SER H H 60 8.050 8.050 7.798 0.252 19533 6991 1 17 . 1 1 61 61 PRO HA H 61 4.240 4.240 4.468 -0.228 19533 6992 1 17 . 1 1 61 61 PRO CA C 61 66.000 66.000 64.865 1.135 19533 6993 1 17 . 1 1 61 61 PRO CB C 61 32.100 32.100 32.070 0.030 19533 6994 1 17 . 1 1 62 62 LYS HA H 62 4.150 4.150 4.123 0.027 19533 6995 1 17 . 1 1 62 62 LYS C C 62 179.040 179.040 178.866 0.174 19533 6996 1 17 . 1 1 62 62 LYS CA C 62 58.690 58.690 59.355 -0.665 19533 6997 1 17 . 1 1 62 62 LYS CB C 62 32.330 32.330 31.873 0.457 19533 6998 1 17 . 1 1 63 63 THR N N 63 118.760 118.760 115.819 2.941 19533 6999 1 17 . 1 1 63 63 THR HA H 63 3.880 3.880 4.117 -0.237 19533 7000 1 17 . 1 1 63 63 THR C C 63 175.480 175.480 176.281 -0.801 19533 7001 1 17 . 1 1 63 63 THR CA C 63 66.680 66.680 66.443 0.237 19533 7002 1 17 . 1 1 63 63 THR CB C 63 68.380 68.380 68.569 -0.189 19533 7003 1 17 . 1 1 63 63 THR H H 63 7.940 7.940 7.457 0.483 19533 7004 1 17 . 1 1 64 64 ILE N N 64 119.800 119.800 121.809 -2.009 19533 7005 1 17 . 1 1 64 64 ILE HA H 64 3.460 3.460 3.677 -0.217 19533 7006 1 17 . 1 1 64 64 ILE C C 64 176.830 176.830 177.490 -0.660 19533 7007 1 17 . 1 1 64 64 ILE CA C 64 65.180 65.180 65.174 0.006 19533 7008 1 17 . 1 1 64 64 ILE CB C 64 36.720 36.720 37.551 -0.831 19533 7009 1 17 . 1 1 64 64 ILE H H 64 7.620 7.620 7.304 0.316 19533 7010 1 17 . 1 1 65 65 ASP N N 65 118.090 118.090 119.916 -1.826 19533 7011 1 17 . 1 1 65 65 ASP HA H 65 4.220 4.220 4.276 -0.056 19533 7012 1 17 . 1 1 65 65 ASP C C 65 177.620 177.620 178.036 -0.416 19533 7013 1 17 . 1 1 65 65 ASP CA C 65 57.910 57.910 57.176 0.734 19533 7014 1 17 . 1 1 65 65 ASP CB C 65 42.150 42.150 40.642 1.508 19533 7015 1 17 . 1 1 65 65 ASP H H 65 7.790 7.790 7.784 0.006 19533 7016 1 17 . 1 1 66 66 ALA N N 66 118.370 118.370 121.825 -3.455 19533 7017 1 17 . 1 1 66 66 ALA HA H 66 3.950 3.950 4.115 -0.165 19533 7018 1 17 . 1 1 66 66 ALA C C 66 181.140 181.140 179.691 1.449 19533 7019 1 17 . 1 1 66 66 ALA CA C 66 54.970 54.970 54.870 0.100 19533 7020 1 17 . 1 1 66 66 ALA CB C 66 18.670 18.670 18.479 0.191 19533 7021 1 17 . 1 1 66 66 ALA H H 66 7.620 7.620 7.460 0.160 19533 7022 1 17 . 1 1 67 67 LEU N N 67 118.030 118.030 119.907 -1.877 19533 7023 1 17 . 1 1 67 67 LEU HA H 67 3.950 3.950 3.979 -0.029 19533 7024 1 17 . 1 1 67 67 LEU C C 67 178.210 178.210 178.335 -0.125 19533 7025 1 17 . 1 1 67 67 LEU CA C 67 57.420 57.420 57.888 -0.468 19533 7026 1 17 . 1 1 67 67 LEU CB C 67 42.100 42.100 41.995 0.105 19533 7027 1 17 . 1 1 67 67 LEU H H 67 8.180 8.180 7.701 0.479 19533 7028 1 17 . 1 1 68 68 MET N N 68 114.280 114.280 115.976 -1.696 19533 7029 1 17 . 1 1 68 68 MET HA H 68 4.260 4.260 4.139 0.121 19533 7030 1 17 . 1 1 68 68 MET C C 68 177.050 177.050 178.511 -1.461 19533 7031 1 17 . 1 1 68 68 MET CA C 68 56.990 56.990 58.199 -1.209 19533 7032 1 17 . 1 1 68 68 MET CB C 68 32.390 32.390 32.624 -0.234 19533 7033 1 17 . 1 1 68 68 MET H H 68 7.770 7.770 7.835 -0.065 19533 7034 1 17 . 1 1 69 69 ARG N N 69 115.480 115.480 117.415 -1.935 19533 7035 1 17 . 1 1 69 69 ARG HA H 69 4.410 4.410 4.234 0.176 19533 7036 1 17 . 1 1 69 69 ARG C C 69 176.480 176.480 177.137 -0.657 19533 7037 1 17 . 1 1 69 69 ARG CA C 69 55.560 55.560 57.949 -2.389 19533 7038 1 17 . 1 1 69 69 ARG CB C 69 30.970 30.970 30.989 -0.019 19533 7039 1 17 . 1 1 69 69 ARG H H 69 7.180 7.180 7.466 -0.286 19533 7040 1 17 . 1 1 70 70 ILE N N 70 119.930 119.930 119.624 0.306 19533 7041 1 17 . 1 1 70 70 ILE HA H 70 3.930 3.930 4.131 -0.201 19533 7042 1 17 . 1 1 70 70 ILE CA C 70 62.270 62.270 60.552 1.718 19533 7043 1 17 . 1 1 70 70 ILE CB C 70 39.050 39.050 39.061 -0.011 19533 7044 1 17 . 1 1 70 70 ILE H H 70 7.070 7.070 7.633 -0.563 19533 7045 1 17 . 1 1 71 71 ASN HA H 71 4.860 4.860 4.876 -0.016 19533 7046 1 17 . 1 1 71 71 ASN C C 71 174.190 174.190 175.245 -1.055 19533 7047 1 17 . 1 1 71 71 ASN CA C 71 52.330 52.330 51.877 0.453 19533 7048 1 17 . 1 1 71 71 ASN CB C 71 39.180 39.180 39.928 -0.748 19533 7049 1 17 . 1 1 72 72 LEU N N 72 125.700 125.700 123.386 2.314 19533 7050 1 17 . 1 1 72 72 LEU HA H 72 4.610 4.610 4.530 0.080 19533 7051 1 17 . 1 1 72 72 LEU CA C 72 52.410 52.410 53.619 -1.209 19533 7052 1 17 . 1 1 72 72 LEU CB C 72 41.670 41.670 40.983 0.687 19533 7053 1 17 . 1 1 72 72 LEU H H 72 8.440 8.440 8.266 0.174 19533 7054 1 17 . 1 1 73 73 PRO HA H 73 4.420 4.420 4.433 -0.013 19533 7055 1 17 . 1 1 73 73 PRO C C 73 176.110 176.110 176.331 -0.221 19533 7056 1 17 . 1 1 73 73 PRO CA C 73 62.240 62.240 62.453 -0.213 19533 7057 1 17 . 1 1 73 73 PRO CB C 73 32.450 32.450 32.380 0.070 19533 7058 1 17 . 1 1 74 74 ALA N N 74 123.290 123.290 124.131 -0.841 19533 7059 1 17 . 1 1 74 74 ALA HA H 74 4.170 4.170 4.200 -0.030 19533 7060 1 17 . 1 1 74 74 ALA C C 74 178.430 178.430 178.532 -0.102 19533 7061 1 17 . 1 1 74 74 ALA CA C 74 53.550 53.550 53.171 0.379 19533 7062 1 17 . 1 1 74 74 ALA CB C 74 18.300 18.300 19.077 -0.777 19533 7063 1 17 . 1 1 74 74 ALA H H 74 8.160 8.160 8.247 -0.087 19533 7064 1 17 . 1 1 75 75 GLY N N 75 106.750 106.750 109.182 -2.432 19533 7065 1 17 . 1 1 75 75 GLY C C 75 174.140 174.140 173.429 0.711 19533 7066 1 17 . 1 1 75 75 GLY CA C 75 45.020 45.020 44.965 0.055 19533 7067 1 17 . 1 1 75 75 GLY H H 75 8.420 8.420 8.720 -0.300 19533 7068 1 17 . 1 1 76 76 VAL N N 76 120.550 120.550 118.455 2.095 19533 7069 1 17 . 1 1 76 76 VAL HA H 76 4.660 4.660 4.612 0.048 19533 7070 1 17 . 1 1 76 76 VAL C C 76 174.120 174.120 174.311 -0.191 19533 7071 1 17 . 1 1 76 76 VAL CA C 76 61.070 61.070 60.405 0.665 19533 7072 1 17 . 1 1 76 76 VAL CB C 76 32.960 32.960 34.429 -1.469 19533 7073 1 17 . 1 1 76 76 VAL H H 76 7.460 7.460 7.469 -0.009 19533 7074 1 17 . 1 1 77 77 ASP N N 77 128.070 128.070 125.316 2.754 19533 7075 1 17 . 1 1 77 77 ASP HA H 77 4.970 4.970 5.085 -0.115 19533 7076 1 17 . 1 1 77 77 ASP C C 77 175.020 175.020 174.979 0.041 19533 7077 1 17 . 1 1 77 77 ASP CA C 77 53.550 53.550 52.797 0.752 19533 7078 1 17 . 1 1 77 77 ASP CB C 77 43.840 43.840 43.480 0.360 19533 7079 1 17 . 1 1 77 77 ASP H H 77 8.950 8.950 8.764 0.186 19533 7080 1 17 . 1 1 78 78 VAL N N 78 122.000 122.000 115.433 6.567 19533 7081 1 17 . 1 1 78 78 VAL HA H 78 4.850 4.850 5.140 -0.290 19533 7082 1 17 . 1 1 78 78 VAL C C 78 174.280 174.280 174.509 -0.229 19533 7083 1 17 . 1 1 78 78 VAL CA C 78 60.720 60.720 59.247 1.473 19533 7084 1 17 . 1 1 78 78 VAL CB C 78 34.600 34.600 35.210 -0.610 19533 7085 1 17 . 1 1 78 78 VAL H H 78 8.460 8.460 8.243 0.217 19533 7086 1 17 . 1 1 79 79 GLU N N 79 127.380 127.380 125.088 2.292 19533 7087 1 17 . 1 1 79 79 GLU CA C 79 54.800 54.800 55.596 -0.796 19533 7088 1 17 . 1 1 79 79 GLU CB C 79 33.610 33.610 31.132 2.478 19533 7089 1 17 . 1 1 79 79 GLU H H 79 8.820 8.820 8.232 0.588 19533 7090 1 18 . 1 1 3 3 GLY C C 3 174.400 174.400 174.711 -0.311 19533 7091 1 18 . 1 1 3 3 GLY CA C 3 45.570 45.570 44.836 0.734 19533 7092 1 18 . 1 1 4 4 GLY N N 4 109.110 109.110 108.477 0.633 19533 7093 1 18 . 1 1 4 4 GLY C C 4 174.070 174.070 174.143 -0.073 19533 7094 1 18 . 1 1 4 4 GLY CA C 4 45.410 45.410 44.913 0.497 19533 7095 1 18 . 1 1 4 4 GLY H H 4 8.380 8.380 8.680 -0.300 19533 7096 1 18 . 1 1 5 5 GLN N N 5 119.810 119.810 120.893 -1.083 19533 7097 1 18 . 1 1 5 5 GLN HA H 5 4.470 4.470 4.514 -0.044 19533 7098 1 18 . 1 1 5 5 GLN C C 5 174.980 174.980 174.258 0.722 19533 7099 1 18 . 1 1 5 5 GLN CA C 5 56.300 56.300 54.796 1.504 19533 7100 1 18 . 1 1 5 5 GLN CB C 5 30.080 30.080 29.915 0.165 19533 7101 1 18 . 1 1 5 5 GLN H H 5 8.280 8.280 8.079 0.201 19533 7102 1 18 . 1 1 6 6 LYS N N 6 120.240 120.240 122.799 -2.559 19533 7103 1 18 . 1 1 6 6 LYS HA H 6 5.080 5.080 4.998 0.082 19533 7104 1 18 . 1 1 6 6 LYS C C 6 175.110 175.110 175.155 -0.045 19533 7105 1 18 . 1 1 6 6 LYS CA C 6 55.330 55.330 54.637 0.693 19533 7106 1 18 . 1 1 6 6 LYS CB C 6 35.450 35.450 35.367 0.083 19533 7107 1 18 . 1 1 6 6 LYS H H 6 8.080 8.080 8.328 -0.248 19533 7108 1 18 . 1 1 7 7 ILE N N 7 120.690 120.690 123.067 -2.377 19533 7109 1 18 . 1 1 7 7 ILE HA H 7 4.540 4.540 4.382 0.158 19533 7110 1 18 . 1 1 7 7 ILE C C 7 173.880 173.880 174.994 -1.114 19533 7111 1 18 . 1 1 7 7 ILE CA C 7 60.520 60.520 60.118 0.402 19533 7112 1 18 . 1 1 7 7 ILE CB C 7 40.830 40.830 41.118 -0.288 19533 7113 1 18 . 1 1 7 7 ILE H H 7 8.770 8.770 8.360 0.410 19533 7114 1 18 . 1 1 8 8 ARG N N 8 127.060 127.060 124.681 2.379 19533 7115 1 18 . 1 1 8 8 ARG HA H 8 5.330 5.330 5.382 -0.052 19533 7116 1 18 . 1 1 8 8 ARG C C 8 174.690 174.690 175.415 -0.725 19533 7117 1 18 . 1 1 8 8 ARG CA C 8 55.070 55.070 54.641 0.429 19533 7118 1 18 . 1 1 8 8 ARG CB C 8 32.370 32.370 33.335 -0.965 19533 7119 1 18 . 1 1 8 8 ARG H H 8 8.480 8.480 8.482 -0.002 19533 7120 1 18 . 1 1 9 9 ILE N N 9 127.670 127.670 123.569 4.101 19533 7121 1 18 . 1 1 9 9 ILE HA H 9 4.800 4.800 4.355 0.445 19533 7122 1 18 . 1 1 9 9 ILE C C 9 174.380 174.380 174.298 0.082 19533 7123 1 18 . 1 1 9 9 ILE CA C 9 60.240 60.240 60.385 -0.145 19533 7124 1 18 . 1 1 9 9 ILE CB C 9 39.860 39.860 41.064 -1.204 19533 7125 1 18 . 1 1 9 9 ILE H H 9 9.540 9.540 8.855 0.685 19533 7126 1 18 . 1 1 10 10 LYS N N 10 127.240 127.240 127.981 -0.741 19533 7127 1 18 . 1 1 10 10 LYS HA H 10 5.220 5.220 4.870 0.350 19533 7128 1 18 . 1 1 10 10 LYS C C 10 175.130 175.130 175.027 0.103 19533 7129 1 18 . 1 1 10 10 LYS CA C 10 54.760 54.760 55.430 -0.670 19533 7130 1 18 . 1 1 10 10 LYS CB C 10 34.940 34.940 33.976 0.964 19533 7131 1 18 . 1 1 10 10 LYS H H 10 9.050 9.050 8.671 0.380 19533 7132 1 18 . 1 1 11 11 LEU N N 11 124.480 124.480 127.430 -2.950 19533 7133 1 18 . 1 1 11 11 LEU HA H 11 5.450 5.450 4.851 0.599 19533 7134 1 18 . 1 1 11 11 LEU C C 11 176.000 176.000 175.779 0.221 19533 7135 1 18 . 1 1 11 11 LEU CA C 11 53.320 53.320 53.727 -0.408 19533 7136 1 18 . 1 1 11 11 LEU CB C 11 46.960 46.960 43.564 3.396 19533 7137 1 18 . 1 1 11 11 LEU H H 11 8.790 8.790 9.254 -0.464 19533 7138 1 18 . 1 1 12 12 LYS N N 12 119.690 119.690 122.479 -2.789 19533 7139 1 18 . 1 1 12 12 LYS HA H 12 5.570 5.570 5.468 0.102 19533 7140 1 18 . 1 1 12 12 LYS C C 12 174.610 174.610 174.771 -0.161 19533 7141 1 18 . 1 1 12 12 LYS CA C 12 54.600 54.600 54.722 -0.122 19533 7142 1 18 . 1 1 12 12 LYS CB C 12 36.480 36.480 36.331 0.149 19533 7143 1 18 . 1 1 12 12 LYS H H 12 8.550 8.550 8.434 0.116 19533 7144 1 18 . 1 1 13 13 ALA N N 13 120.780 120.780 125.596 -4.816 19533 7145 1 18 . 1 1 13 13 ALA HA H 13 4.720 4.720 4.689 0.031 19533 7146 1 18 . 1 1 13 13 ALA C C 13 176.120 176.120 176.385 -0.265 19533 7147 1 18 . 1 1 13 13 ALA CA C 13 52.230 52.230 51.727 0.503 19533 7148 1 18 . 1 1 13 13 ALA CB C 13 24.780 24.780 21.905 2.875 19533 7149 1 18 . 1 1 13 13 ALA H H 13 8.740 8.740 8.080 0.660 19533 7150 1 18 . 1 1 14 14 TYR N N 14 117.810 117.810 121.282 -3.472 19533 7151 1 18 . 1 1 14 14 TYR HA H 14 4.920 4.920 4.511 0.409 19533 7152 1 18 . 1 1 14 14 TYR C C 14 175.960 175.960 176.245 -0.285 19533 7153 1 18 . 1 1 14 14 TYR CA C 14 59.790 59.790 60.997 -1.207 19533 7154 1 18 . 1 1 14 14 TYR CB C 14 38.840 38.840 38.845 -0.005 19533 7155 1 18 . 1 1 14 14 TYR H H 14 8.670 8.670 8.876 -0.206 19533 7156 1 18 . 1 1 15 15 ASP N N 15 118.650 118.650 116.389 2.261 19533 7157 1 18 . 1 1 15 15 ASP HA H 15 4.890 4.890 4.930 -0.040 19533 7158 1 18 . 1 1 15 15 ASP C C 15 175.980 175.980 177.312 -1.332 19533 7159 1 18 . 1 1 15 15 ASP CA C 15 52.830 52.830 53.079 -0.249 19533 7160 1 18 . 1 1 15 15 ASP CB C 15 42.420 42.420 41.619 0.801 19533 7161 1 18 . 1 1 15 15 ASP H H 15 7.390 7.390 7.795 -0.405 19533 7162 1 18 . 1 1 16 16 HIS N N 16 124.080 124.080 125.818 -1.738 19533 7163 1 18 . 1 1 16 16 HIS HA H 16 3.830 3.830 4.187 -0.357 19533 7164 1 18 . 1 1 16 16 HIS C C 16 176.000 176.000 176.644 -0.644 19533 7165 1 18 . 1 1 16 16 HIS CA C 16 59.190 59.190 59.244 -0.054 19533 7166 1 18 . 1 1 16 16 HIS CB C 16 29.030 29.030 28.781 0.249 19533 7167 1 18 . 1 1 16 16 HIS H H 16 8.190 8.190 8.789 -0.599 19533 7168 1 18 . 1 1 17 17 GLU N N 17 121.830 121.830 121.240 0.590 19533 7169 1 18 . 1 1 17 17 GLU HA H 17 4.040 4.040 3.773 0.267 19533 7170 1 18 . 1 1 17 17 GLU C C 17 179.540 179.540 178.895 0.645 19533 7171 1 18 . 1 1 17 17 GLU CA C 17 59.520 59.520 59.006 0.514 19533 7172 1 18 . 1 1 17 17 GLU CB C 17 29.020 29.020 28.778 0.242 19533 7173 1 18 . 1 1 17 17 GLU H H 17 7.740 7.740 6.919 0.821 19533 7174 1 18 . 1 1 18 18 LEU N N 18 121.120 121.120 118.815 2.305 19533 7175 1 18 . 1 1 18 18 LEU HA H 18 4.030 4.030 4.041 -0.011 19533 7176 1 18 . 1 1 18 18 LEU C C 18 180.600 180.600 179.190 1.410 19533 7177 1 18 . 1 1 18 18 LEU CA C 18 57.050 57.050 57.902 -0.852 19533 7178 1 18 . 1 1 18 18 LEU CB C 18 42.390 42.390 41.233 1.157 19533 7179 1 18 . 1 1 18 18 LEU H H 18 7.510 7.510 7.931 -0.421 19533 7180 1 18 . 1 1 19 19 LEU N N 19 121.190 121.190 120.367 0.823 19533 7181 1 18 . 1 1 19 19 LEU HA H 19 3.750 3.750 4.011 -0.261 19533 7182 1 18 . 1 1 19 19 LEU C C 19 177.580 177.580 178.609 -1.029 19533 7183 1 18 . 1 1 19 19 LEU CA C 19 57.950 57.950 57.657 0.293 19533 7184 1 18 . 1 1 19 19 LEU CB C 19 42.100 42.100 41.368 0.732 19533 7185 1 18 . 1 1 19 19 LEU H H 19 7.780 7.780 7.721 0.059 19533 7186 1 18 . 1 1 20 20 ASP N N 20 119.750 119.750 120.085 -0.335 19533 7187 1 18 . 1 1 20 20 ASP HA H 20 4.490 4.490 4.352 0.138 19533 7188 1 18 . 1 1 20 20 ASP C C 20 179.450 179.450 179.039 0.411 19533 7189 1 18 . 1 1 20 20 ASP CA C 20 58.070 58.070 57.681 0.389 19533 7190 1 18 . 1 1 20 20 ASP CB C 20 40.130 40.130 40.300 -0.170 19533 7191 1 18 . 1 1 20 20 ASP H H 20 8.150 8.150 8.593 -0.443 19533 7192 1 18 . 1 1 21 21 GLU N N 21 120.710 120.710 120.404 0.306 19533 7193 1 18 . 1 1 21 21 GLU HA H 21 4.080 4.080 4.062 0.018 19533 7194 1 18 . 1 1 21 21 GLU C C 21 179.370 179.370 179.127 0.243 19533 7195 1 18 . 1 1 21 21 GLU CA C 21 59.210 59.210 59.294 -0.084 19533 7196 1 18 . 1 1 21 21 GLU CB C 21 29.650 29.650 29.654 -0.004 19533 7197 1 18 . 1 1 21 21 GLU H H 21 8.050 8.050 7.987 0.063 19533 7198 1 18 . 1 1 22 22 SER N N 22 116.150 116.150 116.737 -0.587 19533 7199 1 18 . 1 1 22 22 SER HA H 22 4.090 4.090 4.145 -0.055 19533 7200 1 18 . 1 1 22 22 SER C C 22 175.000 175.000 176.490 -1.490 19533 7201 1 18 . 1 1 22 22 SER CA C 22 62.900 62.900 61.679 1.221 19533 7202 1 18 . 1 1 22 22 SER CB C 22 62.900 62.900 62.981 -0.081 19533 7203 1 18 . 1 1 22 22 SER H H 22 7.950 7.950 7.922 0.028 19533 7204 1 18 . 1 1 23 23 ALA N N 23 123.240 123.240 123.642 -0.402 19533 7205 1 18 . 1 1 23 23 ALA HA H 23 3.760 3.760 4.146 -0.386 19533 7206 1 18 . 1 1 23 23 ALA C C 23 178.540 178.540 178.994 -0.454 19533 7207 1 18 . 1 1 23 23 ALA CA C 23 55.190 55.190 54.983 0.207 19533 7208 1 18 . 1 1 23 23 ALA CB C 23 17.870 17.870 18.299 -0.429 19533 7209 1 18 . 1 1 23 23 ALA H H 23 8.560 8.560 7.826 0.734 19533 7210 1 18 . 1 1 24 24 LYS N N 24 116.780 116.780 118.988 -2.208 19533 7211 1 18 . 1 1 24 24 LYS HA H 24 3.840 3.840 3.998 -0.158 19533 7212 1 18 . 1 1 24 24 LYS C C 24 178.720 178.720 178.781 -0.061 19533 7213 1 18 . 1 1 24 24 LYS CA C 24 59.940 59.940 59.646 0.294 19533 7214 1 18 . 1 1 24 24 LYS CB C 24 32.250 32.250 32.357 -0.107 19533 7215 1 18 . 1 1 24 24 LYS H H 24 7.750 7.750 7.774 -0.024 19533 7216 1 18 . 1 1 25 25 LYS N N 25 118.950 118.950 119.033 -0.083 19533 7217 1 18 . 1 1 25 25 LYS HA H 25 4.040 4.040 4.076 -0.036 19533 7218 1 18 . 1 1 25 25 LYS C C 25 178.720 178.720 179.175 -0.455 19533 7219 1 18 . 1 1 25 25 LYS CA C 25 59.000 59.000 59.554 -0.554 19533 7220 1 18 . 1 1 25 25 LYS CB C 25 32.120 32.120 32.432 -0.312 19533 7221 1 18 . 1 1 25 25 LYS H H 25 7.580 7.580 8.011 -0.431 19533 7222 1 18 . 1 1 26 26 ILE N N 26 118.310 118.310 119.859 -1.549 19533 7223 1 18 . 1 1 26 26 ILE HA H 26 3.470 3.470 3.880 -0.410 19533 7224 1 18 . 1 1 26 26 ILE CA C 26 65.060 65.060 63.268 1.792 19533 7225 1 18 . 1 1 26 26 ILE CB C 26 36.720 36.720 36.584 0.137 19533 7226 1 18 . 1 1 26 26 ILE H H 26 7.610 7.610 7.784 -0.174 19533 7227 1 18 . 1 1 27 27 VAL N N 27 118.900 118.900 121.055 -2.155 19533 7228 1 18 . 1 1 27 27 VAL HA H 27 3.390 3.390 3.582 -0.192 19533 7229 1 18 . 1 1 27 27 VAL C C 27 177.550 177.550 178.219 -0.669 19533 7230 1 18 . 1 1 27 27 VAL CA C 27 67.630 67.630 66.481 1.149 19533 7231 1 18 . 1 1 27 27 VAL CB C 27 31.420 31.420 30.707 0.713 19533 7232 1 18 . 1 1 27 27 VAL H H 27 7.950 7.950 8.525 -0.575 19533 7233 1 18 . 1 1 28 28 GLU N N 28 118.800 118.800 119.867 -1.067 19533 7234 1 18 . 1 1 28 28 GLU HA H 28 3.980 3.980 4.043 -0.063 19533 7235 1 18 . 1 1 28 28 GLU C C 28 180.130 180.130 179.632 0.498 19533 7236 1 18 . 1 1 28 28 GLU CA C 28 59.740 59.740 59.710 0.030 19533 7237 1 18 . 1 1 28 28 GLU CB C 28 29.380 29.380 29.529 -0.149 19533 7238 1 18 . 1 1 28 28 GLU H H 28 8.180 8.180 8.085 0.095 19533 7239 1 18 . 1 1 29 29 VAL N N 29 120.730 120.730 119.640 1.090 19533 7240 1 18 . 1 1 29 29 VAL HA H 29 3.710 3.710 3.751 -0.041 19533 7241 1 18 . 1 1 29 29 VAL C C 29 179.240 179.240 178.097 1.143 19533 7242 1 18 . 1 1 29 29 VAL CA C 29 66.290 66.290 66.208 0.082 19533 7243 1 18 . 1 1 29 29 VAL CB C 29 31.420 31.420 31.411 0.009 19533 7244 1 18 . 1 1 29 29 VAL H H 29 8.120 8.120 7.652 0.468 19533 7245 1 18 . 1 1 30 30 ALA N N 30 123.770 123.770 122.689 1.081 19533 7246 1 18 . 1 1 30 30 ALA HA H 30 3.880 3.880 4.075 -0.195 19533 7247 1 18 . 1 1 30 30 ALA C C 30 179.630 179.630 179.931 -0.301 19533 7248 1 18 . 1 1 30 30 ALA CA C 30 55.560 55.560 54.953 0.607 19533 7249 1 18 . 1 1 30 30 ALA CB C 30 18.000 18.000 18.517 -0.517 19533 7250 1 18 . 1 1 30 30 ALA H H 30 8.310 8.310 8.445 -0.135 19533 7251 1 18 . 1 1 31 31 LYS N N 31 118.260 118.260 118.362 -0.102 19533 7252 1 18 . 1 1 31 31 LYS HA H 31 4.200 4.200 4.017 0.183 19533 7253 1 18 . 1 1 31 31 LYS C C 31 180.710 180.710 177.875 2.835 19533 7254 1 18 . 1 1 31 31 LYS CA C 31 59.910 59.910 58.788 1.122 19533 7255 1 18 . 1 1 31 31 LYS CB C 31 32.270 32.270 32.392 -0.122 19533 7256 1 18 . 1 1 31 31 LYS H H 31 8.710 8.710 8.259 0.451 19533 7257 1 18 . 1 1 32 32 SER N N 32 115.760 115.760 111.633 4.127 19533 7258 1 18 . 1 1 32 32 SER HA H 32 4.380 4.380 4.294 0.086 19533 7259 1 18 . 1 1 32 32 SER C C 32 175.120 175.120 175.131 -0.011 19533 7260 1 18 . 1 1 32 32 SER CA C 32 61.300 61.300 60.235 1.065 19533 7261 1 18 . 1 1 32 32 SER CB C 32 63.220 63.220 63.558 -0.338 19533 7262 1 18 . 1 1 32 32 SER H H 32 8.310 8.310 7.911 0.399 19533 7263 1 18 . 1 1 33 33 THR N N 33 108.990 108.990 114.221 -5.231 19533 7264 1 18 . 1 1 33 33 THR HA H 33 4.490 4.490 4.440 0.050 19533 7265 1 18 . 1 1 33 33 THR C C 33 173.390 173.390 174.256 -0.866 19533 7266 1 18 . 1 1 33 33 THR CA C 33 60.910 60.910 61.598 -0.688 19533 7267 1 18 . 1 1 33 33 THR CB C 33 68.860 68.860 70.000 -1.140 19533 7268 1 18 . 1 1 33 33 THR H H 33 7.330 7.330 7.427 -0.097 19533 7269 1 18 . 1 1 34 34 ASN N N 34 115.250 115.250 119.029 -3.779 19533 7270 1 18 . 1 1 34 34 ASN HA H 34 4.450 4.450 4.539 -0.089 19533 7271 1 18 . 1 1 34 34 ASN C C 34 174.490 174.490 175.971 -1.481 19533 7272 1 18 . 1 1 34 34 ASN CA C 34 54.800 54.800 55.116 -0.316 19533 7273 1 18 . 1 1 34 34 ASN CB C 34 37.160 37.160 38.782 -1.622 19533 7274 1 18 . 1 1 34 34 ASN H H 34 7.910 7.910 8.691 -0.781 19533 7275 1 18 . 1 1 35 35 SER N N 35 113.160 113.160 113.882 -0.722 19533 7276 1 18 . 1 1 35 35 SER HA H 35 4.830 4.830 4.493 0.337 19533 7277 1 18 . 1 1 35 35 SER C C 35 173.250 173.250 173.579 -0.329 19533 7278 1 18 . 1 1 35 35 SER CA C 35 58.550 58.550 58.887 -0.337 19533 7279 1 18 . 1 1 35 35 SER CB C 35 64.910 64.910 64.613 0.297 19533 7280 1 18 . 1 1 35 35 SER H H 35 7.800 7.800 7.552 0.248 19533 7281 1 18 . 1 1 36 36 LYS N N 36 123.770 123.770 120.509 3.261 19533 7282 1 18 . 1 1 36 36 LYS HA H 36 4.420 4.420 4.696 -0.276 19533 7283 1 18 . 1 1 36 36 LYS C C 36 175.270 175.270 175.166 0.104 19533 7284 1 18 . 1 1 36 36 LYS CA C 36 56.290 56.290 55.181 1.109 19533 7285 1 18 . 1 1 36 36 LYS CB C 36 33.390 33.390 35.991 -2.601 19533 7286 1 18 . 1 1 36 36 LYS H H 36 8.390 8.390 8.128 0.262 19533 7287 1 18 . 1 1 37 37 VAL N N 37 119.710 119.710 121.897 -2.187 19533 7288 1 18 . 1 1 37 37 VAL HA H 37 5.010 5.010 4.685 0.325 19533 7289 1 18 . 1 1 37 37 VAL C C 37 175.120 175.120 174.854 0.266 19533 7290 1 18 . 1 1 37 37 VAL CA C 37 59.800 59.800 59.951 -0.151 19533 7291 1 18 . 1 1 37 37 VAL CB C 37 35.260 35.260 34.306 0.954 19533 7292 1 18 . 1 1 37 37 VAL H H 37 8.130 8.130 8.416 -0.286 19533 7293 1 18 . 1 1 38 38 SER N N 38 121.650 121.650 122.784 -1.134 19533 7294 1 18 . 1 1 38 38 SER HA H 38 4.810 4.810 4.968 -0.158 19533 7295 1 18 . 1 1 38 38 SER C C 38 173.290 173.290 173.118 0.172 19533 7296 1 18 . 1 1 38 38 SER CA C 38 56.930 56.930 56.807 0.123 19533 7297 1 18 . 1 1 38 38 SER CB C 38 64.420 64.420 65.836 -1.416 19533 7298 1 18 . 1 1 38 38 SER H H 38 9.060 9.060 9.216 -0.156 19533 7299 1 18 . 1 1 39 39 GLY N N 39 112.740 112.740 110.191 2.549 19533 7300 1 18 . 1 1 39 39 GLY CA C 39 43.180 43.180 44.611 -1.431 19533 7301 1 18 . 1 1 39 39 GLY H H 39 8.430 8.430 8.087 0.343 19533 7302 1 18 . 1 1 40 40 PRO HA H 40 4.760 4.760 4.581 0.179 19533 7303 1 18 . 1 1 40 40 PRO C C 40 175.760 175.760 175.946 -0.186 19533 7304 1 18 . 1 1 40 40 PRO CA C 40 61.350 61.350 62.807 -1.457 19533 7305 1 18 . 1 1 40 40 PRO CB C 40 34.780 34.780 32.542 2.237 19533 7306 1 18 . 1 1 41 41 ILE N N 41 125.440 125.440 124.254 1.186 19533 7307 1 18 . 1 1 41 41 ILE HA H 41 4.750 4.750 4.495 0.255 19533 7308 1 18 . 1 1 41 41 ILE CA C 41 57.700 57.700 58.651 -0.951 19533 7309 1 18 . 1 1 41 41 ILE CB C 41 40.570 40.570 38.426 2.144 19533 7310 1 18 . 1 1 41 41 ILE H H 41 9.560 9.560 9.005 0.555 19533 7311 1 18 . 1 1 42 42 PRO HA H 42 4.820 4.820 4.512 0.308 19533 7312 1 18 . 1 1 42 42 PRO C C 42 175.600 175.600 175.808 -0.208 19533 7313 1 18 . 1 1 42 42 PRO CA C 42 62.720 62.720 63.019 -0.299 19533 7314 1 18 . 1 1 42 42 PRO CB C 42 31.740 31.740 32.186 -0.446 19533 7315 1 18 . 1 1 43 43 LEU N N 43 123.010 123.010 124.593 -1.583 19533 7316 1 18 . 1 1 43 43 LEU HA H 43 4.830 4.830 4.866 -0.036 19533 7317 1 18 . 1 1 43 43 LEU CA C 43 51.960 51.960 51.512 0.448 19533 7318 1 18 . 1 1 43 43 LEU CB C 43 42.460 42.460 43.906 -1.446 19533 7319 1 18 . 1 1 43 43 LEU H H 43 7.230 7.230 8.075 -0.845 19533 7320 1 18 . 1 1 44 44 PRO HA H 44 4.370 4.370 4.530 -0.160 19533 7321 1 18 . 1 1 44 44 PRO C C 44 176.620 176.620 175.924 0.696 19533 7322 1 18 . 1 1 44 44 PRO CA C 44 63.660 63.660 62.815 0.845 19533 7323 1 18 . 1 1 44 44 PRO CB C 44 31.780 31.780 31.972 -0.192 19533 7324 1 18 . 1 1 45 45 THR N N 45 121.280 121.280 113.074 8.206 19533 7325 1 18 . 1 1 45 45 THR HA H 45 4.380 4.380 4.598 -0.218 19533 7326 1 18 . 1 1 45 45 THR CA C 45 63.240 63.240 60.191 3.049 19533 7327 1 18 . 1 1 45 45 THR CB C 45 69.520 69.520 70.901 -1.381 19533 7328 1 18 . 1 1 45 45 THR H H 45 8.360 8.360 8.034 0.326 19533 7329 1 18 . 1 1 46 46 GLU C C 46 176.830 176.830 176.479 0.351 19533 7330 1 18 . 1 1 46 46 GLU CB C 46 24.950 24.950 31.714 -6.764 19533 7331 1 18 . 1 1 47 47 SER N N 47 121.430 121.430 121.008 0.422 19533 7332 1 18 . 1 1 47 47 SER HA H 47 4.910 4.910 4.038 0.872 19533 7333 1 18 . 1 1 47 47 SER CA C 47 55.810 55.810 60.849 -5.039 19533 7334 1 18 . 1 1 47 47 SER CB C 47 64.100 64.100 62.909 1.191 19533 7335 1 18 . 1 1 47 47 SER H H 47 7.820 7.820 9.250 -1.430 19533 7336 1 18 . 1 1 48 48 ARG HA H 48 3.650 3.650 4.549 -0.899 19533 7337 1 18 . 1 1 48 48 ARG C C 48 173.650 173.650 174.540 -0.890 19533 7338 1 18 . 1 1 48 48 ARG CA C 48 58.000 58.000 54.821 3.179 19533 7339 1 18 . 1 1 48 48 ARG CB C 48 28.170 28.170 31.130 -2.960 19533 7340 1 18 . 1 1 49 49 VAL N N 49 119.480 119.480 120.522 -1.042 19533 7341 1 18 . 1 1 49 49 VAL HA H 49 3.530 3.530 4.137 -0.607 19533 7342 1 18 . 1 1 49 49 VAL C C 49 174.680 174.680 174.277 0.403 19533 7343 1 18 . 1 1 49 49 VAL CA C 49 62.880 62.880 61.328 1.552 19533 7344 1 18 . 1 1 49 49 VAL CB C 49 32.030 32.030 34.749 -2.720 19533 7345 1 18 . 1 1 49 49 VAL H H 49 7.700 7.700 8.464 -0.764 19533 7346 1 18 . 1 1 50 50 HIS N N 50 128.530 128.530 126.007 2.523 19533 7347 1 18 . 1 1 50 50 HIS HA H 50 4.720 4.720 4.834 -0.114 19533 7348 1 18 . 1 1 50 50 HIS C C 50 175.470 175.470 174.314 1.156 19533 7349 1 18 . 1 1 50 50 HIS CA C 50 55.380 55.380 55.859 -0.479 19533 7350 1 18 . 1 1 50 50 HIS CB C 50 32.950 32.950 31.767 1.183 19533 7351 1 18 . 1 1 50 50 HIS H H 50 8.350 8.350 8.650 -0.300 19533 7352 1 18 . 1 1 51 51 LYS N N 51 117.460 117.460 121.678 -4.218 19533 7353 1 18 . 1 1 51 51 LYS HA H 51 5.770 5.770 5.346 0.424 19533 7354 1 18 . 1 1 51 51 LYS C C 51 177.900 177.900 175.273 2.627 19533 7355 1 18 . 1 1 51 51 LYS CA C 51 55.210 55.210 55.361 -0.151 19533 7356 1 18 . 1 1 51 51 LYS CB C 51 39.360 39.360 35.138 4.222 19533 7357 1 18 . 1 1 51 51 LYS H H 51 8.940 8.940 8.775 0.165 19533 7358 1 18 . 1 1 52 52 ARG N N 52 120.830 120.830 122.424 -1.594 19533 7359 1 18 . 1 1 52 52 ARG HA H 52 5.240 5.240 5.125 0.115 19533 7360 1 18 . 1 1 52 52 ARG C C 52 173.860 173.860 174.262 -0.402 19533 7361 1 18 . 1 1 52 52 ARG CA C 52 53.070 53.070 54.706 -1.637 19533 7362 1 18 . 1 1 52 52 ARG CB C 52 34.830 34.830 34.394 0.436 19533 7363 1 18 . 1 1 52 52 ARG H H 52 8.990 8.990 9.078 -0.088 19533 7364 1 18 . 1 1 53 53 LEU N N 53 122.250 122.250 122.751 -0.501 19533 7365 1 18 . 1 1 53 53 LEU HA H 53 5.440 5.440 5.361 0.079 19533 7366 1 18 . 1 1 53 53 LEU C C 53 176.140 176.140 175.328 0.812 19533 7367 1 18 . 1 1 53 53 LEU CA C 53 53.800 53.800 53.396 0.404 19533 7368 1 18 . 1 1 53 53 LEU CB C 53 46.410 46.410 45.766 0.644 19533 7369 1 18 . 1 1 53 53 LEU H H 53 8.880 8.880 9.046 -0.166 19533 7370 1 18 . 1 1 54 54 ILE N N 54 124.790 124.790 122.671 2.119 19533 7371 1 18 . 1 1 54 54 ILE HA H 54 4.420 4.420 4.500 -0.080 19533 7372 1 18 . 1 1 54 54 ILE C C 54 173.160 173.160 174.643 -1.483 19533 7373 1 18 . 1 1 54 54 ILE CA C 54 61.420 61.420 60.280 1.140 19533 7374 1 18 . 1 1 54 54 ILE CB C 54 43.480 43.480 40.828 2.652 19533 7375 1 18 . 1 1 54 54 ILE H H 54 9.280 9.280 9.071 0.209 19533 7376 1 18 . 1 1 55 55 ASP N N 55 126.260 126.260 128.156 -1.896 19533 7377 1 18 . 1 1 55 55 ASP HA H 55 5.800 5.800 5.134 0.666 19533 7378 1 18 . 1 1 55 55 ASP C C 55 175.300 175.300 175.147 0.153 19533 7379 1 18 . 1 1 55 55 ASP CA C 55 53.120 53.120 53.180 -0.060 19533 7380 1 18 . 1 1 55 55 ASP CB C 55 43.530 43.530 42.922 0.608 19533 7381 1 18 . 1 1 55 55 ASP H H 55 8.560 8.560 8.494 0.066 19533 7382 1 18 . 1 1 56 56 ILE N N 56 122.260 122.260 121.487 0.773 19533 7383 1 18 . 1 1 56 56 ILE HA H 56 4.620 4.620 4.649 -0.029 19533 7384 1 18 . 1 1 56 56 ILE C C 56 174.610 174.610 175.397 -0.787 19533 7385 1 18 . 1 1 56 56 ILE CA C 56 60.160 60.160 60.301 -0.141 19533 7386 1 18 . 1 1 56 56 ILE CB C 56 38.520 38.520 40.719 -2.199 19533 7387 1 18 . 1 1 56 56 ILE H H 56 9.100 9.100 8.593 0.507 19533 7388 1 18 . 1 1 57 57 ILE N N 57 128.860 128.860 127.428 1.432 19533 7389 1 18 . 1 1 57 57 ILE HA H 57 4.200 4.200 4.382 -0.182 19533 7390 1 18 . 1 1 57 57 ILE C C 57 174.350 174.350 175.228 -0.878 19533 7391 1 18 . 1 1 57 57 ILE CA C 57 60.810 60.810 60.400 0.410 19533 7392 1 18 . 1 1 57 57 ILE CB C 57 39.300 39.300 40.262 -0.962 19533 7393 1 18 . 1 1 57 57 ILE H H 57 8.480 8.480 9.172 -0.692 19533 7394 1 18 . 1 1 58 58 ASP N N 58 122.140 122.140 120.333 1.807 19533 7395 1 18 . 1 1 58 58 ASP HA H 58 4.450 4.450 4.391 0.059 19533 7396 1 18 . 1 1 58 58 ASP CA C 58 55.110 55.110 54.563 0.547 19533 7397 1 18 . 1 1 58 58 ASP CB C 58 39.500 39.500 38.871 0.629 19533 7398 1 18 . 1 1 58 58 ASP H H 58 8.760 8.760 8.388 0.372 19533 7399 1 18 . 1 1 59 59 PRO HA H 59 4.430 4.430 4.302 0.128 19533 7400 1 18 . 1 1 59 59 PRO C C 59 176.690 176.690 176.309 0.381 19533 7401 1 18 . 1 1 59 59 PRO CA C 59 62.260 62.260 62.925 -0.665 19533 7402 1 18 . 1 1 59 59 PRO CB C 59 31.590 31.590 32.511 -0.921 19533 7403 1 18 . 1 1 60 60 SER N N 60 117.890 117.890 117.218 0.672 19533 7404 1 18 . 1 1 60 60 SER HA H 60 4.920 4.920 4.873 0.047 19533 7405 1 18 . 1 1 60 60 SER CA C 60 56.020 56.020 55.416 0.604 19533 7406 1 18 . 1 1 60 60 SER CB C 60 64.140 64.140 64.109 0.031 19533 7407 1 18 . 1 1 60 60 SER H H 60 8.050 8.050 7.816 0.234 19533 7408 1 18 . 1 1 61 61 PRO HA H 61 4.240 4.240 4.364 -0.124 19533 7409 1 18 . 1 1 61 61 PRO CA C 61 66.000 66.000 64.878 1.122 19533 7410 1 18 . 1 1 61 61 PRO CB C 61 32.100 32.100 31.817 0.283 19533 7411 1 18 . 1 1 62 62 LYS HA H 62 4.150 4.150 4.127 0.023 19533 7412 1 18 . 1 1 62 62 LYS C C 62 179.040 179.040 178.815 0.225 19533 7413 1 18 . 1 1 62 62 LYS CA C 62 58.690 58.690 59.505 -0.815 19533 7414 1 18 . 1 1 62 62 LYS CB C 62 32.330 32.330 31.988 0.342 19533 7415 1 18 . 1 1 63 63 THR N N 63 118.760 118.760 115.960 2.800 19533 7416 1 18 . 1 1 63 63 THR HA H 63 3.880 3.880 4.105 -0.225 19533 7417 1 18 . 1 1 63 63 THR C C 63 175.480 175.480 176.209 -0.729 19533 7418 1 18 . 1 1 63 63 THR CA C 63 66.680 66.680 67.206 -0.526 19533 7419 1 18 . 1 1 63 63 THR CB C 63 68.380 68.380 68.744 -0.364 19533 7420 1 18 . 1 1 63 63 THR H H 63 7.940 7.940 7.468 0.472 19533 7421 1 18 . 1 1 64 64 ILE N N 64 119.800 119.800 122.016 -2.216 19533 7422 1 18 . 1 1 64 64 ILE HA H 64 3.460 3.460 3.661 -0.201 19533 7423 1 18 . 1 1 64 64 ILE C C 64 176.830 176.830 177.587 -0.757 19533 7424 1 18 . 1 1 64 64 ILE CA C 64 65.180 65.180 64.904 0.276 19533 7425 1 18 . 1 1 64 64 ILE CB C 64 36.720 36.720 37.608 -0.888 19533 7426 1 18 . 1 1 64 64 ILE H H 64 7.620 7.620 7.376 0.244 19533 7427 1 18 . 1 1 65 65 ASP N N 65 118.090 118.090 119.828 -1.738 19533 7428 1 18 . 1 1 65 65 ASP HA H 65 4.220 4.220 4.279 -0.059 19533 7429 1 18 . 1 1 65 65 ASP C C 65 177.620 177.620 178.589 -0.969 19533 7430 1 18 . 1 1 65 65 ASP CA C 65 57.910 57.910 57.390 0.520 19533 7431 1 18 . 1 1 65 65 ASP CB C 65 42.150 42.150 40.065 2.085 19533 7432 1 18 . 1 1 65 65 ASP H H 65 7.790 7.790 7.806 -0.016 19533 7433 1 18 . 1 1 66 66 ALA N N 66 118.370 118.370 121.920 -3.550 19533 7434 1 18 . 1 1 66 66 ALA HA H 66 3.950 3.950 4.143 -0.193 19533 7435 1 18 . 1 1 66 66 ALA C C 66 181.140 181.140 179.695 1.445 19533 7436 1 18 . 1 1 66 66 ALA CA C 66 54.970 54.970 54.775 0.195 19533 7437 1 18 . 1 1 66 66 ALA CB C 66 18.670 18.670 18.565 0.105 19533 7438 1 18 . 1 1 66 66 ALA H H 66 7.620 7.620 7.600 0.020 19533 7439 1 18 . 1 1 67 67 LEU N N 67 118.030 118.030 119.487 -1.457 19533 7440 1 18 . 1 1 67 67 LEU HA H 67 3.950 3.950 4.055 -0.105 19533 7441 1 18 . 1 1 67 67 LEU C C 67 178.210 178.210 178.124 0.086 19533 7442 1 18 . 1 1 67 67 LEU CA C 67 57.420 57.420 57.447 -0.027 19533 7443 1 18 . 1 1 67 67 LEU CB C 67 42.100 42.100 41.812 0.288 19533 7444 1 18 . 1 1 67 67 LEU H H 67 8.180 8.180 7.686 0.494 19533 7445 1 18 . 1 1 68 68 MET N N 68 114.280 114.280 115.581 -1.301 19533 7446 1 18 . 1 1 68 68 MET HA H 68 4.260 4.260 4.255 0.005 19533 7447 1 18 . 1 1 68 68 MET C C 68 177.050 177.050 178.262 -1.212 19533 7448 1 18 . 1 1 68 68 MET CA C 68 56.990 56.990 57.910 -0.920 19533 7449 1 18 . 1 1 68 68 MET CB C 68 32.390 32.390 32.773 -0.383 19533 7450 1 18 . 1 1 68 68 MET H H 68 7.770 7.770 7.492 0.278 19533 7451 1 18 . 1 1 69 69 ARG N N 69 115.480 115.480 119.942 -4.462 19533 7452 1 18 . 1 1 69 69 ARG HA H 69 4.410 4.410 4.316 0.094 19533 7453 1 18 . 1 1 69 69 ARG C C 69 176.480 176.480 176.787 -0.307 19533 7454 1 18 . 1 1 69 69 ARG CA C 69 55.560 55.560 58.087 -2.527 19533 7455 1 18 . 1 1 69 69 ARG CB C 69 30.970 30.970 31.346 -0.376 19533 7456 1 18 . 1 1 69 69 ARG H H 69 7.180 7.180 7.485 -0.305 19533 7457 1 18 . 1 1 70 70 ILE N N 70 119.930 119.930 120.196 -0.266 19533 7458 1 18 . 1 1 70 70 ILE HA H 70 3.930 3.930 4.159 -0.229 19533 7459 1 18 . 1 1 70 70 ILE CA C 70 62.270 62.270 60.596 1.674 19533 7460 1 18 . 1 1 70 70 ILE CB C 70 39.050 39.050 39.390 -0.340 19533 7461 1 18 . 1 1 70 70 ILE H H 70 7.070 7.070 7.576 -0.506 19533 7462 1 18 . 1 1 71 71 ASN HA H 71 4.860 4.860 4.911 -0.051 19533 7463 1 18 . 1 1 71 71 ASN C C 71 174.190 174.190 175.287 -1.097 19533 7464 1 18 . 1 1 71 71 ASN CA C 71 52.330 52.330 51.800 0.530 19533 7465 1 18 . 1 1 71 71 ASN CB C 71 39.180 39.180 39.451 -0.271 19533 7466 1 18 . 1 1 72 72 LEU N N 72 125.700 125.700 124.052 1.648 19533 7467 1 18 . 1 1 72 72 LEU HA H 72 4.610 4.610 4.314 0.296 19533 7468 1 18 . 1 1 72 72 LEU CA C 72 52.410 52.410 53.961 -1.551 19533 7469 1 18 . 1 1 72 72 LEU CB C 72 41.670 41.670 42.148 -0.478 19533 7470 1 18 . 1 1 72 72 LEU H H 72 8.440 8.440 8.335 0.105 19533 7471 1 18 . 1 1 73 73 PRO HA H 73 4.420 4.420 4.466 -0.046 19533 7472 1 18 . 1 1 73 73 PRO C C 73 176.110 176.110 175.960 0.150 19533 7473 1 18 . 1 1 73 73 PRO CA C 73 62.240 62.240 62.401 -0.161 19533 7474 1 18 . 1 1 73 73 PRO CB C 73 32.450 32.450 32.529 -0.079 19533 7475 1 18 . 1 1 74 74 ALA N N 74 123.290 123.290 124.406 -1.116 19533 7476 1 18 . 1 1 74 74 ALA HA H 74 4.170 4.170 4.193 -0.023 19533 7477 1 18 . 1 1 74 74 ALA C C 74 178.430 178.430 178.551 -0.121 19533 7478 1 18 . 1 1 74 74 ALA CA C 74 53.550 53.550 53.252 0.298 19533 7479 1 18 . 1 1 74 74 ALA CB C 74 18.300 18.300 19.046 -0.746 19533 7480 1 18 . 1 1 74 74 ALA H H 74 8.160 8.160 8.255 -0.095 19533 7481 1 18 . 1 1 75 75 GLY N N 75 106.750 106.750 109.598 -2.848 19533 7482 1 18 . 1 1 75 75 GLY C C 75 174.140 174.140 173.425 0.715 19533 7483 1 18 . 1 1 75 75 GLY CA C 75 45.020 45.020 45.006 0.014 19533 7484 1 18 . 1 1 75 75 GLY H H 75 8.420 8.420 8.674 -0.254 19533 7485 1 18 . 1 1 76 76 VAL N N 76 120.550 120.550 118.731 1.819 19533 7486 1 18 . 1 1 76 76 VAL HA H 76 4.660 4.660 4.657 0.003 19533 7487 1 18 . 1 1 76 76 VAL C C 76 174.120 174.120 174.418 -0.298 19533 7488 1 18 . 1 1 76 76 VAL CA C 76 61.070 61.070 60.433 0.637 19533 7489 1 18 . 1 1 76 76 VAL CB C 76 32.960 32.960 34.453 -1.493 19533 7490 1 18 . 1 1 76 76 VAL H H 76 7.460 7.460 7.390 0.070 19533 7491 1 18 . 1 1 77 77 ASP N N 77 128.070 128.070 126.374 1.696 19533 7492 1 18 . 1 1 77 77 ASP HA H 77 4.970 4.970 4.993 -0.023 19533 7493 1 18 . 1 1 77 77 ASP C C 77 175.020 175.020 174.331 0.689 19533 7494 1 18 . 1 1 77 77 ASP CA C 77 53.550 53.550 52.632 0.918 19533 7495 1 18 . 1 1 77 77 ASP CB C 77 43.840 43.840 44.055 -0.215 19533 7496 1 18 . 1 1 77 77 ASP H H 77 8.950 8.950 8.953 -0.003 19533 7497 1 18 . 1 1 78 78 VAL N N 78 122.000 122.000 120.532 1.468 19533 7498 1 18 . 1 1 78 78 VAL HA H 78 4.850 4.850 4.754 0.096 19533 7499 1 18 . 1 1 78 78 VAL C C 78 174.280 174.280 175.039 -0.759 19533 7500 1 18 . 1 1 78 78 VAL CA C 78 60.720 60.720 60.935 -0.215 19533 7501 1 18 . 1 1 78 78 VAL CB C 78 34.600 34.600 34.374 0.226 19533 7502 1 18 . 1 1 78 78 VAL H H 78 8.460 8.460 8.417 0.043 19533 7503 1 18 . 1 1 79 79 GLU N N 79 127.380 127.380 127.706 -0.326 19533 7504 1 18 . 1 1 79 79 GLU CA C 79 54.800 54.800 55.409 -0.609 19533 7505 1 18 . 1 1 79 79 GLU CB C 79 33.610 33.610 32.004 1.606 19533 7506 1 18 . 1 1 79 79 GLU H H 79 8.820 8.820 8.418 0.402 19533 7507 1 19 . 1 1 3 3 GLY C C 3 174.400 174.400 175.208 -0.808 19533 7508 1 19 . 1 1 3 3 GLY CA C 3 45.570 45.570 44.697 0.873 19533 7509 1 19 . 1 1 4 4 GLY N N 4 109.110 109.110 106.076 3.034 19533 7510 1 19 . 1 1 4 4 GLY C C 4 174.070 174.070 174.241 -0.171 19533 7511 1 19 . 1 1 4 4 GLY CA C 4 45.410 45.410 44.865 0.545 19533 7512 1 19 . 1 1 4 4 GLY H H 4 8.380 8.380 8.300 0.080 19533 7513 1 19 . 1 1 5 5 GLN N N 5 119.810 119.810 119.097 0.713 19533 7514 1 19 . 1 1 5 5 GLN HA H 5 4.470 4.470 4.592 -0.122 19533 7515 1 19 . 1 1 5 5 GLN C C 5 174.980 174.980 174.669 0.311 19533 7516 1 19 . 1 1 5 5 GLN CA C 5 56.300 56.300 54.982 1.318 19533 7517 1 19 . 1 1 5 5 GLN CB C 5 30.080 30.080 30.950 -0.869 19533 7518 1 19 . 1 1 5 5 GLN H H 5 8.280 8.280 7.723 0.557 19533 7519 1 19 . 1 1 6 6 LYS N N 6 120.240 120.240 119.447 0.793 19533 7520 1 19 . 1 1 6 6 LYS HA H 6 5.080 5.080 5.016 0.064 19533 7521 1 19 . 1 1 6 6 LYS C C 6 175.110 175.110 175.053 0.057 19533 7522 1 19 . 1 1 6 6 LYS CA C 6 55.330 55.330 54.726 0.604 19533 7523 1 19 . 1 1 6 6 LYS CB C 6 35.450 35.450 35.613 -0.163 19533 7524 1 19 . 1 1 6 6 LYS H H 6 8.080 8.080 8.331 -0.251 19533 7525 1 19 . 1 1 7 7 ILE N N 7 120.690 120.690 121.939 -1.249 19533 7526 1 19 . 1 1 7 7 ILE HA H 7 4.540 4.540 4.398 0.142 19533 7527 1 19 . 1 1 7 7 ILE C C 7 173.880 173.880 174.455 -0.575 19533 7528 1 19 . 1 1 7 7 ILE CA C 7 60.520 60.520 60.177 0.343 19533 7529 1 19 . 1 1 7 7 ILE CB C 7 40.830 40.830 41.571 -0.741 19533 7530 1 19 . 1 1 7 7 ILE H H 7 8.770 8.770 8.345 0.425 19533 7531 1 19 . 1 1 8 8 ARG N N 8 127.060 127.060 125.009 2.051 19533 7532 1 19 . 1 1 8 8 ARG HA H 8 5.330 5.330 5.449 -0.119 19533 7533 1 19 . 1 1 8 8 ARG C C 8 174.690 174.690 175.157 -0.467 19533 7534 1 19 . 1 1 8 8 ARG CA C 8 55.070 55.070 54.648 0.422 19533 7535 1 19 . 1 1 8 8 ARG CB C 8 32.370 32.370 33.176 -0.806 19533 7536 1 19 . 1 1 8 8 ARG H H 8 8.480 8.480 8.633 -0.153 19533 7537 1 19 . 1 1 9 9 ILE N N 9 127.670 127.670 123.100 4.570 19533 7538 1 19 . 1 1 9 9 ILE HA H 9 4.800 4.800 4.493 0.307 19533 7539 1 19 . 1 1 9 9 ILE C C 9 174.380 174.380 174.920 -0.540 19533 7540 1 19 . 1 1 9 9 ILE CA C 9 60.240 60.240 59.935 0.305 19533 7541 1 19 . 1 1 9 9 ILE CB C 9 39.860 39.860 41.278 -1.418 19533 7542 1 19 . 1 1 9 9 ILE H H 9 9.540 9.540 8.665 0.875 19533 7543 1 19 . 1 1 10 10 LYS N N 10 127.240 127.240 126.258 0.982 19533 7544 1 19 . 1 1 10 10 LYS HA H 10 5.220 5.220 5.351 -0.131 19533 7545 1 19 . 1 1 10 10 LYS C C 10 175.130 175.130 175.577 -0.447 19533 7546 1 19 . 1 1 10 10 LYS CA C 10 54.760 54.760 55.017 -0.257 19533 7547 1 19 . 1 1 10 10 LYS CB C 10 34.940 34.940 34.702 0.238 19533 7548 1 19 . 1 1 10 10 LYS H H 10 9.050 9.050 8.725 0.325 19533 7549 1 19 . 1 1 11 11 LEU N N 11 124.480 124.480 124.207 0.273 19533 7550 1 19 . 1 1 11 11 LEU HA H 11 5.450 5.450 5.288 0.162 19533 7551 1 19 . 1 1 11 11 LEU C C 11 176.000 176.000 176.069 -0.069 19533 7552 1 19 . 1 1 11 11 LEU CA C 11 53.320 53.320 53.152 0.168 19533 7553 1 19 . 1 1 11 11 LEU CB C 11 46.960 46.960 43.634 3.326 19533 7554 1 19 . 1 1 11 11 LEU H H 11 8.790 8.790 9.075 -0.285 19533 7555 1 19 . 1 1 12 12 LYS N N 12 119.690 119.690 121.470 -1.780 19533 7556 1 19 . 1 1 12 12 LYS HA H 12 5.570 5.570 4.773 0.797 19533 7557 1 19 . 1 1 12 12 LYS C C 12 174.610 174.610 174.743 -0.133 19533 7558 1 19 . 1 1 12 12 LYS CA C 12 54.600 54.600 55.116 -0.516 19533 7559 1 19 . 1 1 12 12 LYS CB C 12 36.480 36.480 35.016 1.464 19533 7560 1 19 . 1 1 12 12 LYS H H 12 8.550 8.550 8.601 -0.051 19533 7561 1 19 . 1 1 13 13 ALA N N 13 120.780 120.780 125.944 -5.164 19533 7562 1 19 . 1 1 13 13 ALA HA H 13 4.720 4.720 4.805 -0.085 19533 7563 1 19 . 1 1 13 13 ALA C C 13 176.120 176.120 176.425 -0.305 19533 7564 1 19 . 1 1 13 13 ALA CA C 13 52.230 52.230 51.671 0.559 19533 7565 1 19 . 1 1 13 13 ALA CB C 13 24.780 24.780 21.839 2.941 19533 7566 1 19 . 1 1 13 13 ALA H H 13 8.740 8.740 8.036 0.704 19533 7567 1 19 . 1 1 14 14 TYR N N 14 117.810 117.810 121.328 -3.518 19533 7568 1 19 . 1 1 14 14 TYR HA H 14 4.920 4.920 4.337 0.583 19533 7569 1 19 . 1 1 14 14 TYR C C 14 175.960 175.960 176.379 -0.419 19533 7570 1 19 . 1 1 14 14 TYR CA C 14 59.790 59.790 61.334 -1.544 19533 7571 1 19 . 1 1 14 14 TYR CB C 14 38.840 38.840 38.855 -0.014 19533 7572 1 19 . 1 1 14 14 TYR H H 14 8.670 8.670 8.822 -0.152 19533 7573 1 19 . 1 1 15 15 ASP N N 15 118.650 118.650 115.995 2.655 19533 7574 1 19 . 1 1 15 15 ASP HA H 15 4.890 4.890 4.813 0.077 19533 7575 1 19 . 1 1 15 15 ASP C C 15 175.980 175.980 176.482 -0.502 19533 7576 1 19 . 1 1 15 15 ASP CA C 15 52.830 52.830 53.208 -0.378 19533 7577 1 19 . 1 1 15 15 ASP CB C 15 42.420 42.420 41.902 0.518 19533 7578 1 19 . 1 1 15 15 ASP H H 15 7.390 7.390 8.103 -0.713 19533 7579 1 19 . 1 1 16 16 HIS N N 16 124.080 124.080 127.244 -3.164 19533 7580 1 19 . 1 1 16 16 HIS HA H 16 3.830 3.830 4.253 -0.423 19533 7581 1 19 . 1 1 16 16 HIS C C 16 176.000 176.000 176.894 -0.894 19533 7582 1 19 . 1 1 16 16 HIS CA C 16 59.190 59.190 59.839 -0.649 19533 7583 1 19 . 1 1 16 16 HIS CB C 16 29.030 29.030 30.382 -1.352 19533 7584 1 19 . 1 1 16 16 HIS H H 16 8.190 8.190 8.584 -0.394 19533 7585 1 19 . 1 1 17 17 GLU N N 17 121.830 121.830 118.921 2.909 19533 7586 1 19 . 1 1 17 17 GLU HA H 17 4.040 4.040 4.061 -0.021 19533 7587 1 19 . 1 1 17 17 GLU C C 17 179.540 179.540 178.965 0.575 19533 7588 1 19 . 1 1 17 17 GLU CA C 17 59.520 59.520 59.507 0.013 19533 7589 1 19 . 1 1 17 17 GLU CB C 17 29.020 29.020 29.235 -0.215 19533 7590 1 19 . 1 1 17 17 GLU H H 17 7.740 7.740 8.033 -0.293 19533 7591 1 19 . 1 1 18 18 LEU N N 18 121.120 121.120 119.404 1.716 19533 7592 1 19 . 1 1 18 18 LEU HA H 18 4.030 4.030 4.102 -0.072 19533 7593 1 19 . 1 1 18 18 LEU C C 18 180.600 180.600 179.112 1.488 19533 7594 1 19 . 1 1 18 18 LEU CA C 18 57.050 57.050 57.670 -0.620 19533 7595 1 19 . 1 1 18 18 LEU CB C 18 42.390 42.390 41.568 0.822 19533 7596 1 19 . 1 1 18 18 LEU H H 18 7.510 7.510 7.484 0.026 19533 7597 1 19 . 1 1 19 19 LEU N N 19 121.190 121.190 120.497 0.693 19533 7598 1 19 . 1 1 19 19 LEU HA H 19 3.750 3.750 3.900 -0.150 19533 7599 1 19 . 1 1 19 19 LEU C C 19 177.580 177.580 179.310 -1.730 19533 7600 1 19 . 1 1 19 19 LEU CA C 19 57.950 57.950 57.723 0.227 19533 7601 1 19 . 1 1 19 19 LEU CB C 19 42.100 42.100 40.949 1.151 19533 7602 1 19 . 1 1 19 19 LEU H H 19 7.780 7.780 7.330 0.450 19533 7603 1 19 . 1 1 20 20 ASP N N 20 119.750 119.750 119.285 0.465 19533 7604 1 19 . 1 1 20 20 ASP HA H 20 4.490 4.490 4.256 0.234 19533 7605 1 19 . 1 1 20 20 ASP C C 20 179.450 179.450 178.328 1.122 19533 7606 1 19 . 1 1 20 20 ASP CA C 20 58.070 58.070 57.742 0.328 19533 7607 1 19 . 1 1 20 20 ASP CB C 20 40.130 40.130 40.586 -0.456 19533 7608 1 19 . 1 1 20 20 ASP H H 20 8.150 8.150 7.879 0.271 19533 7609 1 19 . 1 1 21 21 GLU N N 21 120.710 120.710 119.956 0.754 19533 7610 1 19 . 1 1 21 21 GLU HA H 21 4.080 4.080 3.974 0.106 19533 7611 1 19 . 1 1 21 21 GLU C C 21 179.370 179.370 178.925 0.445 19533 7612 1 19 . 1 1 21 21 GLU CA C 21 59.210 59.210 59.784 -0.574 19533 7613 1 19 . 1 1 21 21 GLU CB C 21 29.650 29.650 29.799 -0.149 19533 7614 1 19 . 1 1 21 21 GLU H H 21 8.050 8.050 7.843 0.207 19533 7615 1 19 . 1 1 22 22 SER N N 22 116.150 116.150 115.644 0.506 19533 7616 1 19 . 1 1 22 22 SER HA H 22 4.090 4.090 4.028 0.062 19533 7617 1 19 . 1 1 22 22 SER C C 22 175.000 175.000 176.728 -1.728 19533 7618 1 19 . 1 1 22 22 SER CA C 22 62.900 62.900 61.545 1.355 19533 7619 1 19 . 1 1 22 22 SER CB C 22 62.900 62.900 63.034 -0.134 19533 7620 1 19 . 1 1 22 22 SER H H 22 7.950 7.950 8.256 -0.306 19533 7621 1 19 . 1 1 23 23 ALA N N 23 123.240 123.240 125.117 -1.877 19533 7622 1 19 . 1 1 23 23 ALA HA H 23 3.760 3.760 4.040 -0.280 19533 7623 1 19 . 1 1 23 23 ALA C C 23 178.540 178.540 179.562 -1.022 19533 7624 1 19 . 1 1 23 23 ALA CA C 23 55.190 55.190 55.103 0.087 19533 7625 1 19 . 1 1 23 23 ALA CB C 23 17.870 17.870 18.182 -0.312 19533 7626 1 19 . 1 1 23 23 ALA H H 23 8.560 8.560 8.411 0.149 19533 7627 1 19 . 1 1 24 24 LYS N N 24 116.780 116.780 118.790 -2.010 19533 7628 1 19 . 1 1 24 24 LYS HA H 24 3.840 3.840 3.915 -0.075 19533 7629 1 19 . 1 1 24 24 LYS C C 24 178.720 178.720 178.752 -0.032 19533 7630 1 19 . 1 1 24 24 LYS CA C 24 59.940 59.940 59.893 0.047 19533 7631 1 19 . 1 1 24 24 LYS CB C 24 32.250 32.250 32.316 -0.066 19533 7632 1 19 . 1 1 24 24 LYS H H 24 7.750 7.750 8.250 -0.500 19533 7633 1 19 . 1 1 25 25 LYS N N 25 118.950 118.950 120.388 -1.438 19533 7634 1 19 . 1 1 25 25 LYS HA H 25 4.040 4.040 4.018 0.022 19533 7635 1 19 . 1 1 25 25 LYS C C 25 178.720 178.720 178.950 -0.230 19533 7636 1 19 . 1 1 25 25 LYS CA C 25 59.000 59.000 59.579 -0.579 19533 7637 1 19 . 1 1 25 25 LYS CB C 25 32.120 32.120 32.432 -0.312 19533 7638 1 19 . 1 1 25 25 LYS H H 25 7.580 7.580 8.146 -0.566 19533 7639 1 19 . 1 1 26 26 ILE N N 26 118.310 118.310 119.976 -1.666 19533 7640 1 19 . 1 1 26 26 ILE HA H 26 3.470 3.470 3.829 -0.359 19533 7641 1 19 . 1 1 26 26 ILE CA C 26 65.060 65.060 63.358 1.702 19533 7642 1 19 . 1 1 26 26 ILE CB C 26 36.720 36.720 36.824 -0.104 19533 7643 1 19 . 1 1 26 26 ILE H H 26 7.610 7.610 8.027 -0.417 19533 7644 1 19 . 1 1 27 27 VAL N N 27 118.900 118.900 121.245 -2.345 19533 7645 1 19 . 1 1 27 27 VAL HA H 27 3.390 3.390 3.442 -0.052 19533 7646 1 19 . 1 1 27 27 VAL C C 27 177.550 177.550 178.081 -0.531 19533 7647 1 19 . 1 1 27 27 VAL CA C 27 67.630 67.630 67.794 -0.164 19533 7648 1 19 . 1 1 27 27 VAL CB C 27 31.420 31.420 31.119 0.301 19533 7649 1 19 . 1 1 27 27 VAL H H 27 7.950 7.950 8.811 -0.861 19533 7650 1 19 . 1 1 28 28 GLU N N 28 118.800 118.800 120.367 -1.567 19533 7651 1 19 . 1 1 28 28 GLU HA H 28 3.980 3.980 4.003 -0.023 19533 7652 1 19 . 1 1 28 28 GLU C C 28 180.130 180.130 179.235 0.895 19533 7653 1 19 . 1 1 28 28 GLU CA C 28 59.740 59.740 60.019 -0.279 19533 7654 1 19 . 1 1 28 28 GLU CB C 28 29.380 29.380 29.638 -0.258 19533 7655 1 19 . 1 1 28 28 GLU H H 28 8.180 8.180 8.120 0.060 19533 7656 1 19 . 1 1 29 29 VAL N N 29 120.730 120.730 119.972 0.758 19533 7657 1 19 . 1 1 29 29 VAL HA H 29 3.710 3.710 3.783 -0.073 19533 7658 1 19 . 1 1 29 29 VAL C C 29 179.240 179.240 178.101 1.139 19533 7659 1 19 . 1 1 29 29 VAL CA C 29 66.290 66.290 66.086 0.204 19533 7660 1 19 . 1 1 29 29 VAL CB C 29 31.420 31.420 31.523 -0.103 19533 7661 1 19 . 1 1 29 29 VAL H H 29 8.120 8.120 7.518 0.602 19533 7662 1 19 . 1 1 30 30 ALA N N 30 123.770 123.770 122.432 1.338 19533 7663 1 19 . 1 1 30 30 ALA HA H 30 3.880 3.880 4.072 -0.192 19533 7664 1 19 . 1 1 30 30 ALA C C 30 179.630 179.630 179.882 -0.252 19533 7665 1 19 . 1 1 30 30 ALA CA C 30 55.560 55.560 54.998 0.562 19533 7666 1 19 . 1 1 30 30 ALA CB C 30 18.000 18.000 18.374 -0.374 19533 7667 1 19 . 1 1 30 30 ALA H H 30 8.310 8.310 8.536 -0.226 19533 7668 1 19 . 1 1 31 31 LYS N N 31 118.260 118.260 118.462 -0.202 19533 7669 1 19 . 1 1 31 31 LYS HA H 31 4.200 4.200 4.014 0.186 19533 7670 1 19 . 1 1 31 31 LYS C C 31 180.710 180.710 177.830 2.880 19533 7671 1 19 . 1 1 31 31 LYS CA C 31 59.910 59.910 58.911 0.999 19533 7672 1 19 . 1 1 31 31 LYS CB C 31 32.270 32.270 32.538 -0.268 19533 7673 1 19 . 1 1 31 31 LYS H H 31 8.710 8.710 8.450 0.260 19533 7674 1 19 . 1 1 32 32 SER N N 32 115.760 115.760 111.060 4.700 19533 7675 1 19 . 1 1 32 32 SER HA H 32 4.380 4.380 4.282 0.098 19533 7676 1 19 . 1 1 32 32 SER C C 32 175.120 175.120 175.459 -0.339 19533 7677 1 19 . 1 1 32 32 SER CA C 32 61.300 61.300 59.929 1.371 19533 7678 1 19 . 1 1 32 32 SER CB C 32 63.220 63.220 63.461 -0.241 19533 7679 1 19 . 1 1 32 32 SER H H 32 8.310 8.310 7.936 0.374 19533 7680 1 19 . 1 1 33 33 THR N N 33 108.990 108.990 114.949 -5.959 19533 7681 1 19 . 1 1 33 33 THR HA H 33 4.490 4.490 4.438 0.052 19533 7682 1 19 . 1 1 33 33 THR C C 33 173.390 173.390 174.949 -1.559 19533 7683 1 19 . 1 1 33 33 THR CA C 33 60.910 60.910 61.588 -0.678 19533 7684 1 19 . 1 1 33 33 THR CB C 33 68.860 68.860 70.334 -1.474 19533 7685 1 19 . 1 1 33 33 THR H H 33 7.330 7.330 7.462 -0.132 19533 7686 1 19 . 1 1 34 34 ASN N N 34 115.250 115.250 118.337 -3.087 19533 7687 1 19 . 1 1 34 34 ASN HA H 34 4.450 4.450 4.542 -0.092 19533 7688 1 19 . 1 1 34 34 ASN C C 34 174.490 174.490 175.874 -1.384 19533 7689 1 19 . 1 1 34 34 ASN CA C 34 54.800 54.800 54.788 0.011 19533 7690 1 19 . 1 1 34 34 ASN CB C 34 37.160 37.160 38.249 -1.089 19533 7691 1 19 . 1 1 34 34 ASN H H 34 7.910 7.910 8.692 -0.782 19533 7692 1 19 . 1 1 35 35 SER N N 35 113.160 113.160 115.199 -2.039 19533 7693 1 19 . 1 1 35 35 SER HA H 35 4.830 4.830 4.582 0.248 19533 7694 1 19 . 1 1 35 35 SER C C 35 173.250 173.250 173.582 -0.332 19533 7695 1 19 . 1 1 35 35 SER CA C 35 58.550 58.550 59.767 -1.217 19533 7696 1 19 . 1 1 35 35 SER CB C 35 64.910 64.910 63.984 0.926 19533 7697 1 19 . 1 1 35 35 SER H H 35 7.800 7.800 8.010 -0.210 19533 7698 1 19 . 1 1 36 36 LYS N N 36 123.770 123.770 122.322 1.448 19533 7699 1 19 . 1 1 36 36 LYS HA H 36 4.420 4.420 4.545 -0.125 19533 7700 1 19 . 1 1 36 36 LYS C C 36 175.270 175.270 174.953 0.317 19533 7701 1 19 . 1 1 36 36 LYS CA C 36 56.290 56.290 55.522 0.768 19533 7702 1 19 . 1 1 36 36 LYS CB C 36 33.390 33.390 34.867 -1.477 19533 7703 1 19 . 1 1 36 36 LYS H H 36 8.390 8.390 8.233 0.157 19533 7704 1 19 . 1 1 37 37 VAL N N 37 119.710 119.710 121.934 -2.224 19533 7705 1 19 . 1 1 37 37 VAL HA H 37 5.010 5.010 4.878 0.132 19533 7706 1 19 . 1 1 37 37 VAL C C 37 175.120 175.120 174.779 0.341 19533 7707 1 19 . 1 1 37 37 VAL CA C 37 59.800 59.800 59.360 0.440 19533 7708 1 19 . 1 1 37 37 VAL CB C 37 35.260 35.260 34.592 0.668 19533 7709 1 19 . 1 1 37 37 VAL H H 37 8.130 8.130 8.360 -0.230 19533 7710 1 19 . 1 1 38 38 SER N N 38 121.650 121.650 120.974 0.676 19533 7711 1 19 . 1 1 38 38 SER HA H 38 4.810 4.810 4.832 -0.022 19533 7712 1 19 . 1 1 38 38 SER C C 38 173.290 173.290 173.074 0.216 19533 7713 1 19 . 1 1 38 38 SER CA C 38 56.930 56.930 56.779 0.151 19533 7714 1 19 . 1 1 38 38 SER CB C 38 64.420 64.420 65.293 -0.873 19533 7715 1 19 . 1 1 38 38 SER H H 38 9.060 9.060 9.249 -0.189 19533 7716 1 19 . 1 1 39 39 GLY N N 39 112.740 112.740 112.765 -0.025 19533 7717 1 19 . 1 1 39 39 GLY CA C 39 43.180 43.180 44.727 -1.547 19533 7718 1 19 . 1 1 39 39 GLY H H 39 8.430 8.430 8.238 0.192 19533 7719 1 19 . 1 1 40 40 PRO HA H 40 4.760 4.760 4.457 0.303 19533 7720 1 19 . 1 1 40 40 PRO C C 40 175.760 175.760 175.703 0.057 19533 7721 1 19 . 1 1 40 40 PRO CA C 40 61.350 61.350 63.023 -1.673 19533 7722 1 19 . 1 1 40 40 PRO CB C 40 34.780 34.780 32.446 2.334 19533 7723 1 19 . 1 1 41 41 ILE N N 41 125.440 125.440 123.576 1.864 19533 7724 1 19 . 1 1 41 41 ILE HA H 41 4.750 4.750 4.425 0.325 19533 7725 1 19 . 1 1 41 41 ILE CA C 41 57.700 57.700 58.636 -0.937 19533 7726 1 19 . 1 1 41 41 ILE CB C 41 40.570 40.570 38.547 2.022 19533 7727 1 19 . 1 1 41 41 ILE H H 41 9.560 9.560 9.089 0.471 19533 7728 1 19 . 1 1 42 42 PRO HA H 42 4.820 4.820 4.592 0.228 19533 7729 1 19 . 1 1 42 42 PRO C C 42 175.600 175.600 175.934 -0.334 19533 7730 1 19 . 1 1 42 42 PRO CA C 42 62.720 62.720 62.925 -0.205 19533 7731 1 19 . 1 1 42 42 PRO CB C 42 31.740 31.740 31.796 -0.056 19533 7732 1 19 . 1 1 43 43 LEU N N 43 123.010 123.010 126.673 -3.663 19533 7733 1 19 . 1 1 43 43 LEU HA H 43 4.830 4.830 4.836 -0.006 19533 7734 1 19 . 1 1 43 43 LEU CA C 43 51.960 51.960 51.824 0.136 19533 7735 1 19 . 1 1 43 43 LEU CB C 43 42.460 42.460 42.174 0.286 19533 7736 1 19 . 1 1 43 43 LEU H H 43 7.230 7.230 8.055 -0.825 19533 7737 1 19 . 1 1 44 44 PRO HA H 44 4.370 4.370 4.446 -0.076 19533 7738 1 19 . 1 1 44 44 PRO C C 44 176.620 176.620 176.223 0.397 19533 7739 1 19 . 1 1 44 44 PRO CA C 44 63.660 63.660 62.829 0.831 19533 7740 1 19 . 1 1 44 44 PRO CB C 44 31.780 31.780 31.852 -0.072 19533 7741 1 19 . 1 1 45 45 THR N N 45 121.280 121.280 118.201 3.079 19533 7742 1 19 . 1 1 45 45 THR HA H 45 4.380 4.380 4.677 -0.297 19533 7743 1 19 . 1 1 45 45 THR CA C 45 63.240 63.240 61.932 1.308 19533 7744 1 19 . 1 1 45 45 THR CB C 45 69.520 69.520 70.160 -0.640 19533 7745 1 19 . 1 1 45 45 THR H H 45 8.360 8.360 8.168 0.192 19533 7746 1 19 . 1 1 46 46 GLU C C 46 176.830 176.830 176.614 0.216 19533 7747 1 19 . 1 1 46 46 GLU CB C 46 24.950 24.950 31.904 -6.954 19533 7748 1 19 . 1 1 47 47 SER N N 47 121.430 121.430 121.256 0.174 19533 7749 1 19 . 1 1 47 47 SER HA H 47 4.910 4.910 4.043 0.867 19533 7750 1 19 . 1 1 47 47 SER CA C 47 55.810 55.810 60.818 -5.008 19533 7751 1 19 . 1 1 47 47 SER CB C 47 64.100 64.100 61.845 2.255 19533 7752 1 19 . 1 1 47 47 SER H H 47 7.820 7.820 9.156 -1.336 19533 7753 1 19 . 1 1 48 48 ARG HA H 48 3.650 3.650 4.584 -0.934 19533 7754 1 19 . 1 1 48 48 ARG C C 48 173.650 173.650 174.756 -1.106 19533 7755 1 19 . 1 1 48 48 ARG CA C 48 58.000 58.000 55.519 2.481 19533 7756 1 19 . 1 1 48 48 ARG CB C 48 28.170 28.170 32.618 -4.448 19533 7757 1 19 . 1 1 49 49 VAL N N 49 119.480 119.480 120.797 -1.317 19533 7758 1 19 . 1 1 49 49 VAL HA H 49 3.530 3.530 4.195 -0.665 19533 7759 1 19 . 1 1 49 49 VAL C C 49 174.680 174.680 174.142 0.538 19533 7760 1 19 . 1 1 49 49 VAL CA C 49 62.880 62.880 61.258 1.621 19533 7761 1 19 . 1 1 49 49 VAL CB C 49 32.030 32.030 33.733 -1.703 19533 7762 1 19 . 1 1 49 49 VAL H H 49 7.700 7.700 8.398 -0.698 19533 7763 1 19 . 1 1 50 50 HIS N N 50 128.530 128.530 126.358 2.172 19533 7764 1 19 . 1 1 50 50 HIS HA H 50 4.720 4.720 4.942 -0.222 19533 7765 1 19 . 1 1 50 50 HIS C C 50 175.470 175.470 173.776 1.694 19533 7766 1 19 . 1 1 50 50 HIS CA C 50 55.380 55.380 54.950 0.430 19533 7767 1 19 . 1 1 50 50 HIS CB C 50 32.950 32.950 32.102 0.848 19533 7768 1 19 . 1 1 50 50 HIS H H 50 8.350 8.350 8.503 -0.153 19533 7769 1 19 . 1 1 51 51 LYS N N 51 117.460 117.460 119.869 -2.409 19533 7770 1 19 . 1 1 51 51 LYS HA H 51 5.770 5.770 5.467 0.303 19533 7771 1 19 . 1 1 51 51 LYS C C 51 177.900 177.900 175.593 2.307 19533 7772 1 19 . 1 1 51 51 LYS CA C 51 55.210 55.210 54.825 0.385 19533 7773 1 19 . 1 1 51 51 LYS CB C 51 39.360 39.360 36.856 2.504 19533 7774 1 19 . 1 1 51 51 LYS H H 51 8.940 8.940 8.781 0.159 19533 7775 1 19 . 1 1 52 52 ARG N N 52 120.830 120.830 119.275 1.555 19533 7776 1 19 . 1 1 52 52 ARG HA H 52 5.240 5.240 5.024 0.216 19533 7777 1 19 . 1 1 52 52 ARG C C 52 173.860 173.860 174.062 -0.202 19533 7778 1 19 . 1 1 52 52 ARG CA C 52 53.070 53.070 54.939 -1.869 19533 7779 1 19 . 1 1 52 52 ARG CB C 52 34.830 34.830 34.542 0.288 19533 7780 1 19 . 1 1 52 52 ARG H H 52 8.990 8.990 8.514 0.476 19533 7781 1 19 . 1 1 53 53 LEU N N 53 122.250 122.250 123.763 -1.513 19533 7782 1 19 . 1 1 53 53 LEU HA H 53 5.440 5.440 5.437 0.003 19533 7783 1 19 . 1 1 53 53 LEU C C 53 176.140 176.140 174.638 1.502 19533 7784 1 19 . 1 1 53 53 LEU CA C 53 53.800 53.800 53.508 0.292 19533 7785 1 19 . 1 1 53 53 LEU CB C 53 46.410 46.410 46.349 0.061 19533 7786 1 19 . 1 1 53 53 LEU H H 53 8.880 8.880 9.204 -0.324 19533 7787 1 19 . 1 1 54 54 ILE N N 54 124.790 124.790 126.333 -1.543 19533 7788 1 19 . 1 1 54 54 ILE HA H 54 4.420 4.420 4.577 -0.157 19533 7789 1 19 . 1 1 54 54 ILE C C 54 173.160 173.160 174.201 -1.041 19533 7790 1 19 . 1 1 54 54 ILE CA C 54 61.420 61.420 60.200 1.220 19533 7791 1 19 . 1 1 54 54 ILE CB C 54 43.480 43.480 40.460 3.020 19533 7792 1 19 . 1 1 54 54 ILE H H 54 9.280 9.280 9.014 0.266 19533 7793 1 19 . 1 1 55 55 ASP N N 55 126.260 126.260 127.756 -1.496 19533 7794 1 19 . 1 1 55 55 ASP HA H 55 5.800 5.800 5.071 0.729 19533 7795 1 19 . 1 1 55 55 ASP C C 55 175.300 175.300 174.854 0.446 19533 7796 1 19 . 1 1 55 55 ASP CA C 55 53.120 53.120 52.894 0.226 19533 7797 1 19 . 1 1 55 55 ASP CB C 55 43.530 43.530 43.034 0.496 19533 7798 1 19 . 1 1 55 55 ASP H H 55 8.560 8.560 8.584 -0.024 19533 7799 1 19 . 1 1 56 56 ILE N N 56 122.260 122.260 124.287 -2.027 19533 7800 1 19 . 1 1 56 56 ILE HA H 56 4.620 4.620 4.612 0.008 19533 7801 1 19 . 1 1 56 56 ILE C C 56 174.610 174.610 175.264 -0.654 19533 7802 1 19 . 1 1 56 56 ILE CA C 56 60.160 60.160 60.244 -0.084 19533 7803 1 19 . 1 1 56 56 ILE CB C 56 38.520 38.520 40.311 -1.791 19533 7804 1 19 . 1 1 56 56 ILE H H 56 9.100 9.100 8.860 0.240 19533 7805 1 19 . 1 1 57 57 ILE N N 57 128.860 128.860 127.080 1.780 19533 7806 1 19 . 1 1 57 57 ILE HA H 57 4.200 4.200 4.369 -0.169 19533 7807 1 19 . 1 1 57 57 ILE C C 57 174.350 174.350 175.137 -0.787 19533 7808 1 19 . 1 1 57 57 ILE CA C 57 60.810 60.810 60.153 0.657 19533 7809 1 19 . 1 1 57 57 ILE CB C 57 39.300 39.300 40.943 -1.643 19533 7810 1 19 . 1 1 57 57 ILE H H 57 8.480 8.480 9.090 -0.610 19533 7811 1 19 . 1 1 58 58 ASP N N 58 122.140 122.140 122.785 -0.645 19533 7812 1 19 . 1 1 58 58 ASP HA H 58 4.450 4.450 4.386 0.064 19533 7813 1 19 . 1 1 58 58 ASP CA C 58 55.110 55.110 54.805 0.305 19533 7814 1 19 . 1 1 58 58 ASP CB C 58 39.500 39.500 40.770 -1.270 19533 7815 1 19 . 1 1 58 58 ASP H H 58 8.760 8.760 8.494 0.266 19533 7816 1 19 . 1 1 59 59 PRO HA H 59 4.430 4.430 4.397 0.033 19533 7817 1 19 . 1 1 59 59 PRO C C 59 176.690 176.690 176.455 0.235 19533 7818 1 19 . 1 1 59 59 PRO CA C 59 62.260 62.260 63.057 -0.797 19533 7819 1 19 . 1 1 59 59 PRO CB C 59 31.590 31.590 32.455 -0.865 19533 7820 1 19 . 1 1 60 60 SER N N 60 117.890 117.890 119.599 -1.709 19533 7821 1 19 . 1 1 60 60 SER HA H 60 4.920 4.920 4.992 -0.072 19533 7822 1 19 . 1 1 60 60 SER CA C 60 56.020 56.020 55.728 0.292 19533 7823 1 19 . 1 1 60 60 SER CB C 60 64.140 64.140 64.370 -0.230 19533 7824 1 19 . 1 1 60 60 SER H H 60 8.050 8.050 8.377 -0.327 19533 7825 1 19 . 1 1 61 61 PRO HA H 61 4.240 4.240 4.289 -0.049 19533 7826 1 19 . 1 1 61 61 PRO CA C 61 66.000 66.000 64.832 1.168 19533 7827 1 19 . 1 1 61 61 PRO CB C 61 32.100 32.100 31.902 0.198 19533 7828 1 19 . 1 1 62 62 LYS HA H 62 4.150 4.150 4.112 0.038 19533 7829 1 19 . 1 1 62 62 LYS C C 62 179.040 179.040 178.377 0.663 19533 7830 1 19 . 1 1 62 62 LYS CA C 62 58.690 58.690 59.542 -0.853 19533 7831 1 19 . 1 1 62 62 LYS CB C 62 32.330 32.330 31.539 0.791 19533 7832 1 19 . 1 1 63 63 THR N N 63 118.760 118.760 115.775 2.985 19533 7833 1 19 . 1 1 63 63 THR HA H 63 3.880 3.880 4.168 -0.288 19533 7834 1 19 . 1 1 63 63 THR C C 63 175.480 175.480 176.163 -0.683 19533 7835 1 19 . 1 1 63 63 THR CA C 63 66.680 66.680 66.149 0.531 19533 7836 1 19 . 1 1 63 63 THR CB C 63 68.380 68.380 68.487 -0.107 19533 7837 1 19 . 1 1 63 63 THR H H 63 7.940 7.940 7.481 0.459 19533 7838 1 19 . 1 1 64 64 ILE N N 64 119.800 119.800 122.418 -2.618 19533 7839 1 19 . 1 1 64 64 ILE HA H 64 3.460 3.460 3.649 -0.189 19533 7840 1 19 . 1 1 64 64 ILE C C 64 176.830 176.830 177.493 -0.663 19533 7841 1 19 . 1 1 64 64 ILE CA C 64 65.180 65.180 65.222 -0.043 19533 7842 1 19 . 1 1 64 64 ILE CB C 64 36.720 36.720 37.557 -0.837 19533 7843 1 19 . 1 1 64 64 ILE H H 64 7.620 7.620 7.243 0.377 19533 7844 1 19 . 1 1 65 65 ASP N N 65 118.090 118.090 119.903 -1.813 19533 7845 1 19 . 1 1 65 65 ASP HA H 65 4.220 4.220 4.320 -0.100 19533 7846 1 19 . 1 1 65 65 ASP C C 65 177.620 177.620 178.551 -0.931 19533 7847 1 19 . 1 1 65 65 ASP CA C 65 57.910 57.910 57.362 0.548 19533 7848 1 19 . 1 1 65 65 ASP CB C 65 42.150 42.150 40.035 2.115 19533 7849 1 19 . 1 1 65 65 ASP H H 65 7.790 7.790 7.833 -0.043 19533 7850 1 19 . 1 1 66 66 ALA N N 66 118.370 118.370 122.169 -3.799 19533 7851 1 19 . 1 1 66 66 ALA HA H 66 3.950 3.950 4.143 -0.193 19533 7852 1 19 . 1 1 66 66 ALA C C 66 181.140 181.140 179.732 1.408 19533 7853 1 19 . 1 1 66 66 ALA CA C 66 54.970 54.970 54.835 0.135 19533 7854 1 19 . 1 1 66 66 ALA CB C 66 18.670 18.670 18.579 0.091 19533 7855 1 19 . 1 1 66 66 ALA H H 66 7.620 7.620 7.587 0.033 19533 7856 1 19 . 1 1 67 67 LEU N N 67 118.030 118.030 119.947 -1.917 19533 7857 1 19 . 1 1 67 67 LEU HA H 67 3.950 3.950 4.020 -0.070 19533 7858 1 19 . 1 1 67 67 LEU C C 67 178.210 178.210 178.326 -0.116 19533 7859 1 19 . 1 1 67 67 LEU CA C 67 57.420 57.420 57.736 -0.316 19533 7860 1 19 . 1 1 67 67 LEU CB C 67 42.100 42.100 41.803 0.297 19533 7861 1 19 . 1 1 67 67 LEU H H 67 8.180 8.180 7.999 0.181 19533 7862 1 19 . 1 1 68 68 MET N N 68 114.280 114.280 115.957 -1.677 19533 7863 1 19 . 1 1 68 68 MET HA H 68 4.260 4.260 4.152 0.108 19533 7864 1 19 . 1 1 68 68 MET C C 68 177.050 177.050 178.562 -1.512 19533 7865 1 19 . 1 1 68 68 MET CA C 68 56.990 56.990 58.144 -1.154 19533 7866 1 19 . 1 1 68 68 MET CB C 68 32.390 32.390 32.632 -0.242 19533 7867 1 19 . 1 1 68 68 MET H H 68 7.770 7.770 7.875 -0.105 19533 7868 1 19 . 1 1 69 69 ARG N N 69 115.480 115.480 117.384 -1.904 19533 7869 1 19 . 1 1 69 69 ARG HA H 69 4.410 4.410 4.247 0.163 19533 7870 1 19 . 1 1 69 69 ARG C C 69 176.480 176.480 177.079 -0.599 19533 7871 1 19 . 1 1 69 69 ARG CA C 69 55.560 55.560 57.883 -2.323 19533 7872 1 19 . 1 1 69 69 ARG CB C 69 30.970 30.970 31.069 -0.099 19533 7873 1 19 . 1 1 69 69 ARG H H 69 7.180 7.180 7.486 -0.306 19533 7874 1 19 . 1 1 70 70 ILE N N 70 119.930 119.930 120.001 -0.071 19533 7875 1 19 . 1 1 70 70 ILE HA H 70 3.930 3.930 4.123 -0.193 19533 7876 1 19 . 1 1 70 70 ILE CA C 70 62.270 62.270 60.659 1.611 19533 7877 1 19 . 1 1 70 70 ILE CB C 70 39.050 39.050 39.159 -0.109 19533 7878 1 19 . 1 1 70 70 ILE H H 70 7.070 7.070 7.594 -0.524 19533 7879 1 19 . 1 1 71 71 ASN HA H 71 4.860 4.860 4.943 -0.083 19533 7880 1 19 . 1 1 71 71 ASN C C 71 174.190 174.190 175.286 -1.096 19533 7881 1 19 . 1 1 71 71 ASN CA C 71 52.330 52.330 51.704 0.626 19533 7882 1 19 . 1 1 71 71 ASN CB C 71 39.180 39.180 39.864 -0.684 19533 7883 1 19 . 1 1 72 72 LEU N N 72 125.700 125.700 121.675 4.025 19533 7884 1 19 . 1 1 72 72 LEU HA H 72 4.610 4.610 4.539 0.071 19533 7885 1 19 . 1 1 72 72 LEU CA C 72 52.410 52.410 53.314 -0.904 19533 7886 1 19 . 1 1 72 72 LEU CB C 72 41.670 41.670 41.062 0.608 19533 7887 1 19 . 1 1 72 72 LEU H H 72 8.440 8.440 8.173 0.267 19533 7888 1 19 . 1 1 73 73 PRO HA H 73 4.420 4.420 4.444 -0.024 19533 7889 1 19 . 1 1 73 73 PRO C C 73 176.110 176.110 176.249 -0.139 19533 7890 1 19 . 1 1 73 73 PRO CA C 73 62.240 62.240 62.402 -0.162 19533 7891 1 19 . 1 1 73 73 PRO CB C 73 32.450 32.450 32.423 0.027 19533 7892 1 19 . 1 1 74 74 ALA N N 74 123.290 123.290 123.605 -0.315 19533 7893 1 19 . 1 1 74 74 ALA HA H 74 4.170 4.170 4.093 0.077 19533 7894 1 19 . 1 1 74 74 ALA C C 74 178.430 178.430 178.766 -0.336 19533 7895 1 19 . 1 1 74 74 ALA CA C 74 53.550 53.550 53.109 0.441 19533 7896 1 19 . 1 1 74 74 ALA CB C 74 18.300 18.300 18.776 -0.476 19533 7897 1 19 . 1 1 74 74 ALA H H 74 8.160 8.160 8.225 -0.065 19533 7898 1 19 . 1 1 75 75 GLY N N 75 106.750 106.750 108.994 -2.244 19533 7899 1 19 . 1 1 75 75 GLY C C 75 174.140 174.140 173.310 0.830 19533 7900 1 19 . 1 1 75 75 GLY CA C 75 45.020 45.020 45.308 -0.288 19533 7901 1 19 . 1 1 75 75 GLY H H 75 8.420 8.420 8.557 -0.137 19533 7902 1 19 . 1 1 76 76 VAL N N 76 120.550 120.550 118.836 1.714 19533 7903 1 19 . 1 1 76 76 VAL HA H 76 4.660 4.660 5.193 -0.533 19533 7904 1 19 . 1 1 76 76 VAL C C 76 174.120 174.120 174.205 -0.085 19533 7905 1 19 . 1 1 76 76 VAL CA C 76 61.070 61.070 60.631 0.439 19533 7906 1 19 . 1 1 76 76 VAL CB C 76 32.960 32.960 35.344 -2.384 19533 7907 1 19 . 1 1 76 76 VAL H H 76 7.460 7.460 7.321 0.139 19533 7908 1 19 . 1 1 77 77 ASP N N 77 128.070 128.070 124.119 3.951 19533 7909 1 19 . 1 1 77 77 ASP HA H 77 4.970 4.970 4.908 0.062 19533 7910 1 19 . 1 1 77 77 ASP C C 77 175.020 175.020 173.969 1.051 19533 7911 1 19 . 1 1 77 77 ASP CA C 77 53.550 53.550 52.368 1.181 19533 7912 1 19 . 1 1 77 77 ASP CB C 77 43.840 43.840 44.749 -0.909 19533 7913 1 19 . 1 1 77 77 ASP H H 77 8.950 8.950 8.087 0.863 19533 7914 1 19 . 1 1 78 78 VAL N N 78 122.000 122.000 116.145 5.855 19533 7915 1 19 . 1 1 78 78 VAL HA H 78 4.850 4.850 5.258 -0.408 19533 7916 1 19 . 1 1 78 78 VAL C C 78 174.280 174.280 174.517 -0.237 19533 7917 1 19 . 1 1 78 78 VAL CA C 78 60.720 60.720 60.255 0.465 19533 7918 1 19 . 1 1 78 78 VAL CB C 78 34.600 34.600 36.023 -1.423 19533 7919 1 19 . 1 1 78 78 VAL H H 78 8.460 8.460 8.229 0.231 19533 7920 1 19 . 1 1 79 79 GLU N N 79 127.380 127.380 123.806 3.574 19533 7921 1 19 . 1 1 79 79 GLU CA C 79 54.800 54.800 55.003 -0.203 19533 7922 1 19 . 1 1 79 79 GLU CB C 79 33.610 33.610 31.620 1.990 19533 7923 1 19 . 1 1 79 79 GLU H H 79 8.820 8.820 8.299 0.521 19533 7924 1 20 . 1 1 3 3 GLY C C 3 174.400 174.400 173.273 1.127 19533 7925 1 20 . 1 1 3 3 GLY CA C 3 45.570 45.570 44.053 1.517 19533 7926 1 20 . 1 1 4 4 GLY N N 4 109.110 109.110 107.342 1.768 19533 7927 1 20 . 1 1 4 4 GLY C C 4 174.070 174.070 174.230 -0.160 19533 7928 1 20 . 1 1 4 4 GLY CA C 4 45.410 45.410 45.324 0.086 19533 7929 1 20 . 1 1 4 4 GLY H H 4 8.380 8.380 8.519 -0.139 19533 7930 1 20 . 1 1 5 5 GLN N N 5 119.810 119.810 119.663 0.147 19533 7931 1 20 . 1 1 5 5 GLN HA H 5 4.470 4.470 4.625 -0.155 19533 7932 1 20 . 1 1 5 5 GLN C C 5 174.980 174.980 174.956 0.024 19533 7933 1 20 . 1 1 5 5 GLN CA C 5 56.300 56.300 54.712 1.589 19533 7934 1 20 . 1 1 5 5 GLN CB C 5 30.080 30.080 30.805 -0.726 19533 7935 1 20 . 1 1 5 5 GLN H H 5 8.280 8.280 8.202 0.078 19533 7936 1 20 . 1 1 6 6 LYS N N 6 120.240 120.240 120.756 -0.516 19533 7937 1 20 . 1 1 6 6 LYS HA H 6 5.080 5.080 4.938 0.142 19533 7938 1 20 . 1 1 6 6 LYS C C 6 175.110 175.110 175.305 -0.195 19533 7939 1 20 . 1 1 6 6 LYS CA C 6 55.330 55.330 55.354 -0.024 19533 7940 1 20 . 1 1 6 6 LYS CB C 6 35.450 35.450 34.455 0.996 19533 7941 1 20 . 1 1 6 6 LYS H H 6 8.080 8.080 8.352 -0.272 19533 7942 1 20 . 1 1 7 7 ILE N N 7 120.690 120.690 121.811 -1.121 19533 7943 1 20 . 1 1 7 7 ILE HA H 7 4.540 4.540 4.409 0.131 19533 7944 1 20 . 1 1 7 7 ILE C C 7 173.880 173.880 174.888 -1.008 19533 7945 1 20 . 1 1 7 7 ILE CA C 7 60.520 60.520 59.849 0.671 19533 7946 1 20 . 1 1 7 7 ILE CB C 7 40.830 40.830 40.525 0.305 19533 7947 1 20 . 1 1 7 7 ILE H H 7 8.770 8.770 8.443 0.327 19533 7948 1 20 . 1 1 8 8 ARG N N 8 127.060 127.060 124.767 2.293 19533 7949 1 20 . 1 1 8 8 ARG HA H 8 5.330 5.330 5.405 -0.075 19533 7950 1 20 . 1 1 8 8 ARG C C 8 174.690 174.690 175.356 -0.666 19533 7951 1 20 . 1 1 8 8 ARG CA C 8 55.070 55.070 54.514 0.556 19533 7952 1 20 . 1 1 8 8 ARG CB C 8 32.370 32.370 33.599 -1.229 19533 7953 1 20 . 1 1 8 8 ARG H H 8 8.480 8.480 8.491 -0.011 19533 7954 1 20 . 1 1 9 9 ILE N N 9 127.670 127.670 123.631 4.039 19533 7955 1 20 . 1 1 9 9 ILE HA H 9 4.800 4.800 4.397 0.403 19533 7956 1 20 . 1 1 9 9 ILE C C 9 174.380 174.380 174.931 -0.551 19533 7957 1 20 . 1 1 9 9 ILE CA C 9 60.240 60.240 60.156 0.084 19533 7958 1 20 . 1 1 9 9 ILE CB C 9 39.860 39.860 41.318 -1.458 19533 7959 1 20 . 1 1 9 9 ILE H H 9 9.540 9.540 8.775 0.765 19533 7960 1 20 . 1 1 10 10 LYS N N 10 127.240 127.240 128.175 -0.935 19533 7961 1 20 . 1 1 10 10 LYS HA H 10 5.220 5.220 5.007 0.213 19533 7962 1 20 . 1 1 10 10 LYS C C 10 175.130 175.130 175.313 -0.183 19533 7963 1 20 . 1 1 10 10 LYS CA C 10 54.760 54.760 55.258 -0.498 19533 7964 1 20 . 1 1 10 10 LYS CB C 10 34.940 34.940 33.892 1.048 19533 7965 1 20 . 1 1 10 10 LYS H H 10 9.050 9.050 8.634 0.416 19533 7966 1 20 . 1 1 11 11 LEU N N 11 124.480 124.480 128.052 -3.572 19533 7967 1 20 . 1 1 11 11 LEU HA H 11 5.450 5.450 5.122 0.328 19533 7968 1 20 . 1 1 11 11 LEU C C 11 176.000 176.000 176.036 -0.036 19533 7969 1 20 . 1 1 11 11 LEU CA C 11 53.320 53.320 53.623 -0.303 19533 7970 1 20 . 1 1 11 11 LEU CB C 11 46.960 46.960 43.261 3.699 19533 7971 1 20 . 1 1 11 11 LEU H H 11 8.790 8.790 9.252 -0.462 19533 7972 1 20 . 1 1 12 12 LYS N N 12 119.690 119.690 123.288 -3.598 19533 7973 1 20 . 1 1 12 12 LYS HA H 12 5.570 5.570 5.387 0.183 19533 7974 1 20 . 1 1 12 12 LYS C C 12 174.610 174.610 175.011 -0.401 19533 7975 1 20 . 1 1 12 12 LYS CA C 12 54.600 54.600 54.838 -0.238 19533 7976 1 20 . 1 1 12 12 LYS CB C 12 36.480 36.480 35.966 0.514 19533 7977 1 20 . 1 1 12 12 LYS H H 12 8.550 8.550 8.753 -0.203 19533 7978 1 20 . 1 1 13 13 ALA N N 13 120.780 120.780 126.044 -5.264 19533 7979 1 20 . 1 1 13 13 ALA HA H 13 4.720 4.720 4.792 -0.072 19533 7980 1 20 . 1 1 13 13 ALA C C 13 176.120 176.120 176.030 0.090 19533 7981 1 20 . 1 1 13 13 ALA CA C 13 52.230 52.230 51.885 0.345 19533 7982 1 20 . 1 1 13 13 ALA CB C 13 24.780 24.780 21.826 2.954 19533 7983 1 20 . 1 1 13 13 ALA H H 13 8.740 8.740 8.565 0.175 19533 7984 1 20 . 1 1 14 14 TYR N N 14 117.810 117.810 123.275 -5.465 19533 7985 1 20 . 1 1 14 14 TYR HA H 14 4.920 4.920 4.293 0.627 19533 7986 1 20 . 1 1 14 14 TYR C C 14 175.960 175.960 175.673 0.287 19533 7987 1 20 . 1 1 14 14 TYR CA C 14 59.790 59.790 61.899 -2.109 19533 7988 1 20 . 1 1 14 14 TYR CB C 14 38.840 38.840 39.097 -0.258 19533 7989 1 20 . 1 1 14 14 TYR H H 14 8.670 8.670 9.132 -0.462 19533 7990 1 20 . 1 1 15 15 ASP N N 15 118.650 118.650 116.691 1.959 19533 7991 1 20 . 1 1 15 15 ASP HA H 15 4.890 4.890 4.795 0.095 19533 7992 1 20 . 1 1 15 15 ASP C C 15 175.980 175.980 176.986 -1.006 19533 7993 1 20 . 1 1 15 15 ASP CA C 15 52.830 52.830 54.237 -1.407 19533 7994 1 20 . 1 1 15 15 ASP CB C 15 42.420 42.420 41.544 0.876 19533 7995 1 20 . 1 1 15 15 ASP H H 15 7.390 7.390 8.303 -0.913 19533 7996 1 20 . 1 1 16 16 HIS N N 16 124.080 124.080 122.892 1.188 19533 7997 1 20 . 1 1 16 16 HIS HA H 16 3.830 3.830 4.290 -0.460 19533 7998 1 20 . 1 1 16 16 HIS C C 16 176.000 176.000 176.298 -0.298 19533 7999 1 20 . 1 1 16 16 HIS CA C 16 59.190 59.190 59.276 -0.086 19533 8000 1 20 . 1 1 16 16 HIS CB C 16 29.030 29.030 29.101 -0.071 19533 8001 1 20 . 1 1 16 16 HIS H H 16 8.190 8.190 8.589 -0.399 19533 8002 1 20 . 1 1 17 17 GLU N N 17 121.830 121.830 119.460 2.370 19533 8003 1 20 . 1 1 17 17 GLU HA H 17 4.040 4.040 3.864 0.176 19533 8004 1 20 . 1 1 17 17 GLU C C 17 179.540 179.540 178.786 0.754 19533 8005 1 20 . 1 1 17 17 GLU CA C 17 59.520 59.520 59.240 0.280 19533 8006 1 20 . 1 1 17 17 GLU CB C 17 29.020 29.020 28.753 0.267 19533 8007 1 20 . 1 1 17 17 GLU H H 17 7.740 7.740 7.974 -0.234 19533 8008 1 20 . 1 1 18 18 LEU N N 18 121.120 121.120 118.837 2.283 19533 8009 1 20 . 1 1 18 18 LEU HA H 18 4.030 4.030 4.101 -0.071 19533 8010 1 20 . 1 1 18 18 LEU C C 18 180.600 180.600 179.165 1.435 19533 8011 1 20 . 1 1 18 18 LEU CA C 18 57.050 57.050 57.247 -0.197 19533 8012 1 20 . 1 1 18 18 LEU CB C 18 42.390 42.390 41.624 0.766 19533 8013 1 20 . 1 1 18 18 LEU H H 18 7.510 7.510 7.908 -0.398 19533 8014 1 20 . 1 1 19 19 LEU N N 19 121.190 121.190 119.881 1.309 19533 8015 1 20 . 1 1 19 19 LEU HA H 19 3.750 3.750 4.064 -0.314 19533 8016 1 20 . 1 1 19 19 LEU C C 19 177.580 177.580 179.388 -1.808 19533 8017 1 20 . 1 1 19 19 LEU CA C 19 57.950 57.950 57.490 0.459 19533 8018 1 20 . 1 1 19 19 LEU CB C 19 42.100 42.100 41.492 0.608 19533 8019 1 20 . 1 1 19 19 LEU H H 19 7.780 7.780 7.373 0.407 19533 8020 1 20 . 1 1 20 20 ASP N N 20 119.750 119.750 119.625 0.125 19533 8021 1 20 . 1 1 20 20 ASP HA H 20 4.490 4.490 4.349 0.141 19533 8022 1 20 . 1 1 20 20 ASP C C 20 179.450 179.450 178.385 1.065 19533 8023 1 20 . 1 1 20 20 ASP CA C 20 58.070 58.070 57.662 0.408 19533 8024 1 20 . 1 1 20 20 ASP CB C 20 40.130 40.130 40.690 -0.560 19533 8025 1 20 . 1 1 20 20 ASP H H 20 8.150 8.150 7.969 0.181 19533 8026 1 20 . 1 1 21 21 GLU N N 21 120.710 120.710 119.739 0.971 19533 8027 1 20 . 1 1 21 21 GLU HA H 21 4.080 4.080 4.017 0.063 19533 8028 1 20 . 1 1 21 21 GLU C C 21 179.370 179.370 178.788 0.582 19533 8029 1 20 . 1 1 21 21 GLU CA C 21 59.210 59.210 59.612 -0.403 19533 8030 1 20 . 1 1 21 21 GLU CB C 21 29.650 29.650 29.791 -0.141 19533 8031 1 20 . 1 1 21 21 GLU H H 21 8.050 8.050 7.997 0.053 19533 8032 1 20 . 1 1 22 22 SER N N 22 116.150 116.150 115.284 0.866 19533 8033 1 20 . 1 1 22 22 SER HA H 22 4.090 4.090 4.201 -0.111 19533 8034 1 20 . 1 1 22 22 SER C C 22 175.000 175.000 176.804 -1.804 19533 8035 1 20 . 1 1 22 22 SER CA C 22 62.900 62.900 61.200 1.700 19533 8036 1 20 . 1 1 22 22 SER CB C 22 62.900 62.900 63.194 -0.293 19533 8037 1 20 . 1 1 22 22 SER H H 22 7.950 7.950 8.106 -0.156 19533 8038 1 20 . 1 1 23 23 ALA N N 23 123.240 123.240 124.771 -1.531 19533 8039 1 20 . 1 1 23 23 ALA HA H 23 3.760 3.760 4.123 -0.363 19533 8040 1 20 . 1 1 23 23 ALA C C 23 178.540 178.540 179.251 -0.711 19533 8041 1 20 . 1 1 23 23 ALA CA C 23 55.190 55.190 54.892 0.298 19533 8042 1 20 . 1 1 23 23 ALA CB C 23 17.870 17.870 18.206 -0.336 19533 8043 1 20 . 1 1 23 23 ALA H H 23 8.560 8.560 8.264 0.296 19533 8044 1 20 . 1 1 24 24 LYS N N 24 116.780 116.780 119.132 -2.352 19533 8045 1 20 . 1 1 24 24 LYS HA H 24 3.840 3.840 3.955 -0.115 19533 8046 1 20 . 1 1 24 24 LYS C C 24 178.720 178.720 178.756 -0.036 19533 8047 1 20 . 1 1 24 24 LYS CA C 24 59.940 59.940 59.839 0.101 19533 8048 1 20 . 1 1 24 24 LYS CB C 24 32.250 32.250 32.314 -0.064 19533 8049 1 20 . 1 1 24 24 LYS H H 24 7.750 7.750 8.037 -0.287 19533 8050 1 20 . 1 1 25 25 LYS N N 25 118.950 118.950 119.123 -0.173 19533 8051 1 20 . 1 1 25 25 LYS HA H 25 4.040 4.040 4.043 -0.003 19533 8052 1 20 . 1 1 25 25 LYS C C 25 178.720 178.720 179.119 -0.399 19533 8053 1 20 . 1 1 25 25 LYS CA C 25 59.000 59.000 59.582 -0.582 19533 8054 1 20 . 1 1 25 25 LYS CB C 25 32.120 32.120 32.341 -0.221 19533 8055 1 20 . 1 1 25 25 LYS H H 25 7.580 7.580 7.695 -0.115 19533 8056 1 20 . 1 1 26 26 ILE N N 26 118.310 118.310 119.894 -1.584 19533 8057 1 20 . 1 1 26 26 ILE HA H 26 3.470 3.470 3.841 -0.371 19533 8058 1 20 . 1 1 26 26 ILE CA C 26 65.060 65.060 63.371 1.689 19533 8059 1 20 . 1 1 26 26 ILE CB C 26 36.720 36.720 36.581 0.139 19533 8060 1 20 . 1 1 26 26 ILE H H 26 7.610 7.610 7.754 -0.144 19533 8061 1 20 . 1 1 27 27 VAL N N 27 118.900 118.900 121.038 -2.138 19533 8062 1 20 . 1 1 27 27 VAL HA H 27 3.390 3.390 3.533 -0.143 19533 8063 1 20 . 1 1 27 27 VAL C C 27 177.550 177.550 177.871 -0.321 19533 8064 1 20 . 1 1 27 27 VAL CA C 27 67.630 67.630 67.829 -0.199 19533 8065 1 20 . 1 1 27 27 VAL CB C 27 31.420 31.420 31.392 0.028 19533 8066 1 20 . 1 1 27 27 VAL H H 27 7.950 7.950 8.646 -0.696 19533 8067 1 20 . 1 1 28 28 GLU N N 28 118.800 118.800 120.475 -1.675 19533 8068 1 20 . 1 1 28 28 GLU HA H 28 3.980 3.980 4.001 -0.021 19533 8069 1 20 . 1 1 28 28 GLU C C 28 180.130 180.130 178.976 1.154 19533 8070 1 20 . 1 1 28 28 GLU CA C 28 59.740 59.740 60.001 -0.261 19533 8071 1 20 . 1 1 28 28 GLU CB C 28 29.380 29.380 29.775 -0.395 19533 8072 1 20 . 1 1 28 28 GLU H H 28 8.180 8.180 8.211 -0.031 19533 8073 1 20 . 1 1 29 29 VAL N N 29 120.730 120.730 119.423 1.307 19533 8074 1 20 . 1 1 29 29 VAL HA H 29 3.710 3.710 3.777 -0.067 19533 8075 1 20 . 1 1 29 29 VAL C C 29 179.240 179.240 178.435 0.805 19533 8076 1 20 . 1 1 29 29 VAL CA C 29 66.290 66.290 65.197 1.093 19533 8077 1 20 . 1 1 29 29 VAL CB C 29 31.420 31.420 31.002 0.418 19533 8078 1 20 . 1 1 29 29 VAL H H 29 8.120 8.120 8.125 -0.005 19533 8079 1 20 . 1 1 30 30 ALA N N 30 123.770 123.770 122.479 1.291 19533 8080 1 20 . 1 1 30 30 ALA HA H 30 3.880 3.880 3.956 -0.076 19533 8081 1 20 . 1 1 30 30 ALA C C 30 179.630 179.630 179.255 0.375 19533 8082 1 20 . 1 1 30 30 ALA CA C 30 55.560 55.560 55.443 0.117 19533 8083 1 20 . 1 1 30 30 ALA CB C 30 18.000 18.000 18.236 -0.236 19533 8084 1 20 . 1 1 30 30 ALA H H 30 8.310 8.310 8.709 -0.399 19533 8085 1 20 . 1 1 31 31 LYS N N 31 118.260 118.260 118.419 -0.159 19533 8086 1 20 . 1 1 31 31 LYS HA H 31 4.200 4.200 4.009 0.191 19533 8087 1 20 . 1 1 31 31 LYS C C 31 180.710 180.710 178.287 2.423 19533 8088 1 20 . 1 1 31 31 LYS CA C 31 59.910 59.910 59.022 0.888 19533 8089 1 20 . 1 1 31 31 LYS CB C 31 32.270 32.270 32.383 -0.113 19533 8090 1 20 . 1 1 31 31 LYS H H 31 8.710 8.710 8.351 0.359 19533 8091 1 20 . 1 1 32 32 SER N N 32 115.760 115.760 111.394 4.366 19533 8092 1 20 . 1 1 32 32 SER HA H 32 4.380 4.380 4.290 0.090 19533 8093 1 20 . 1 1 32 32 SER C C 32 175.120 175.120 175.201 -0.081 19533 8094 1 20 . 1 1 32 32 SER CA C 32 61.300 61.300 60.255 1.044 19533 8095 1 20 . 1 1 32 32 SER CB C 32 63.220 63.220 63.249 -0.029 19533 8096 1 20 . 1 1 32 32 SER H H 32 8.310 8.310 7.770 0.540 19533 8097 1 20 . 1 1 33 33 THR N N 33 108.990 108.990 114.112 -5.122 19533 8098 1 20 . 1 1 33 33 THR HA H 33 4.490 4.490 4.377 0.113 19533 8099 1 20 . 1 1 33 33 THR C C 33 173.390 173.390 174.669 -1.279 19533 8100 1 20 . 1 1 33 33 THR CA C 33 60.910 60.910 61.454 -0.544 19533 8101 1 20 . 1 1 33 33 THR CB C 33 68.860 68.860 70.540 -1.680 19533 8102 1 20 . 1 1 33 33 THR H H 33 7.330 7.330 7.604 -0.274 19533 8103 1 20 . 1 1 34 34 ASN N N 34 115.250 115.250 118.147 -2.897 19533 8104 1 20 . 1 1 34 34 ASN HA H 34 4.450 4.450 4.537 -0.087 19533 8105 1 20 . 1 1 34 34 ASN C C 34 174.490 174.490 175.964 -1.474 19533 8106 1 20 . 1 1 34 34 ASN CA C 34 54.800 54.800 54.532 0.268 19533 8107 1 20 . 1 1 34 34 ASN CB C 34 37.160 37.160 38.416 -1.256 19533 8108 1 20 . 1 1 34 34 ASN H H 34 7.910 7.910 8.648 -0.738 19533 8109 1 20 . 1 1 35 35 SER N N 35 113.160 113.160 115.633 -2.473 19533 8110 1 20 . 1 1 35 35 SER HA H 35 4.830 4.830 4.585 0.245 19533 8111 1 20 . 1 1 35 35 SER C C 35 173.250 173.250 173.561 -0.311 19533 8112 1 20 . 1 1 35 35 SER CA C 35 58.550 58.550 58.825 -0.275 19533 8113 1 20 . 1 1 35 35 SER CB C 35 64.910 64.910 64.138 0.772 19533 8114 1 20 . 1 1 35 35 SER H H 35 7.800 7.800 7.757 0.043 19533 8115 1 20 . 1 1 36 36 LYS N N 36 123.770 123.770 124.790 -1.020 19533 8116 1 20 . 1 1 36 36 LYS HA H 36 4.420 4.420 4.605 -0.185 19533 8117 1 20 . 1 1 36 36 LYS C C 36 175.270 175.270 175.086 0.184 19533 8118 1 20 . 1 1 36 36 LYS CA C 36 56.290 56.290 55.325 0.965 19533 8119 1 20 . 1 1 36 36 LYS CB C 36 33.390 33.390 35.428 -2.038 19533 8120 1 20 . 1 1 36 36 LYS H H 36 8.390 8.390 8.592 -0.202 19533 8121 1 20 . 1 1 37 37 VAL N N 37 119.710 119.710 121.254 -1.544 19533 8122 1 20 . 1 1 37 37 VAL HA H 37 5.010 5.010 4.820 0.190 19533 8123 1 20 . 1 1 37 37 VAL C C 37 175.120 175.120 175.179 -0.059 19533 8124 1 20 . 1 1 37 37 VAL CA C 37 59.800 59.800 61.226 -1.426 19533 8125 1 20 . 1 1 37 37 VAL CB C 37 35.260 35.260 34.535 0.725 19533 8126 1 20 . 1 1 37 37 VAL H H 37 8.130 8.130 8.362 -0.232 19533 8127 1 20 . 1 1 38 38 SER N N 38 121.650 121.650 120.722 0.928 19533 8128 1 20 . 1 1 38 38 SER HA H 38 4.810 4.810 4.837 -0.027 19533 8129 1 20 . 1 1 38 38 SER C C 38 173.290 173.290 173.222 0.068 19533 8130 1 20 . 1 1 38 38 SER CA C 38 56.930 56.930 56.616 0.314 19533 8131 1 20 . 1 1 38 38 SER CB C 38 64.420 64.420 64.879 -0.459 19533 8132 1 20 . 1 1 38 38 SER H H 38 9.060 9.060 9.135 -0.075 19533 8133 1 20 . 1 1 39 39 GLY N N 39 112.740 112.740 111.999 0.741 19533 8134 1 20 . 1 1 39 39 GLY CA C 39 43.180 43.180 44.595 -1.415 19533 8135 1 20 . 1 1 39 39 GLY H H 39 8.430 8.430 8.174 0.256 19533 8136 1 20 . 1 1 40 40 PRO HA H 40 4.760 4.760 4.470 0.290 19533 8137 1 20 . 1 1 40 40 PRO C C 40 175.760 175.760 175.672 0.088 19533 8138 1 20 . 1 1 40 40 PRO CA C 40 61.350 61.350 63.071 -1.720 19533 8139 1 20 . 1 1 40 40 PRO CB C 40 34.780 34.780 32.633 2.147 19533 8140 1 20 . 1 1 41 41 ILE N N 41 125.440 125.440 123.409 2.031 19533 8141 1 20 . 1 1 41 41 ILE HA H 41 4.750 4.750 4.422 0.328 19533 8142 1 20 . 1 1 41 41 ILE CA C 41 57.700 57.700 58.602 -0.902 19533 8143 1 20 . 1 1 41 41 ILE CB C 41 40.570 40.570 38.605 1.966 19533 8144 1 20 . 1 1 41 41 ILE H H 41 9.560 9.560 9.064 0.496 19533 8145 1 20 . 1 1 42 42 PRO HA H 42 4.820 4.820 4.499 0.321 19533 8146 1 20 . 1 1 42 42 PRO C C 42 175.600 175.600 175.907 -0.307 19533 8147 1 20 . 1 1 42 42 PRO CA C 42 62.720 62.720 62.904 -0.184 19533 8148 1 20 . 1 1 42 42 PRO CB C 42 31.740 31.740 31.708 0.032 19533 8149 1 20 . 1 1 43 43 LEU N N 43 123.010 123.010 126.582 -3.572 19533 8150 1 20 . 1 1 43 43 LEU HA H 43 4.830 4.830 4.843 -0.013 19533 8151 1 20 . 1 1 43 43 LEU CA C 43 51.960 51.960 51.789 0.171 19533 8152 1 20 . 1 1 43 43 LEU CB C 43 42.460 42.460 42.321 0.139 19533 8153 1 20 . 1 1 43 43 LEU H H 43 7.230 7.230 8.000 -0.770 19533 8154 1 20 . 1 1 44 44 PRO HA H 44 4.370 4.370 4.515 -0.145 19533 8155 1 20 . 1 1 44 44 PRO C C 44 176.620 176.620 175.701 0.919 19533 8156 1 20 . 1 1 44 44 PRO CA C 44 63.660 63.660 62.738 0.922 19533 8157 1 20 . 1 1 44 44 PRO CB C 44 31.780 31.780 31.876 -0.096 19533 8158 1 20 . 1 1 45 45 THR N N 45 121.280 121.280 112.246 9.034 19533 8159 1 20 . 1 1 45 45 THR HA H 45 4.380 4.380 4.628 -0.248 19533 8160 1 20 . 1 1 45 45 THR CA C 45 63.240 63.240 60.267 2.973 19533 8161 1 20 . 1 1 45 45 THR CB C 45 69.520 69.520 71.371 -1.851 19533 8162 1 20 . 1 1 45 45 THR H H 45 8.360 8.360 7.922 0.438 19533 8163 1 20 . 1 1 46 46 GLU C C 46 176.830 176.830 176.416 0.414 19533 8164 1 20 . 1 1 46 46 GLU CB C 46 24.950 24.950 32.134 -7.184 19533 8165 1 20 . 1 1 47 47 SER N N 47 121.430 121.430 119.104 2.326 19533 8166 1 20 . 1 1 47 47 SER HA H 47 4.910 4.910 3.989 0.921 19533 8167 1 20 . 1 1 47 47 SER CA C 47 55.810 55.810 60.764 -4.954 19533 8168 1 20 . 1 1 47 47 SER CB C 47 64.100 64.100 62.971 1.129 19533 8169 1 20 . 1 1 47 47 SER H H 47 7.820 7.820 8.954 -1.134 19533 8170 1 20 . 1 1 48 48 ARG HA H 48 3.650 3.650 4.312 -0.662 19533 8171 1 20 . 1 1 48 48 ARG C C 48 173.650 173.650 173.821 -0.171 19533 8172 1 20 . 1 1 48 48 ARG CA C 48 58.000 58.000 55.309 2.691 19533 8173 1 20 . 1 1 48 48 ARG CB C 48 28.170 28.170 31.846 -3.676 19533 8174 1 20 . 1 1 49 49 VAL N N 49 119.480 119.480 119.935 -0.455 19533 8175 1 20 . 1 1 49 49 VAL HA H 49 3.530 3.530 4.127 -0.597 19533 8176 1 20 . 1 1 49 49 VAL C C 49 174.680 174.680 174.064 0.616 19533 8177 1 20 . 1 1 49 49 VAL CA C 49 62.880 62.880 61.414 1.466 19533 8178 1 20 . 1 1 49 49 VAL CB C 49 32.030 32.030 34.903 -2.873 19533 8179 1 20 . 1 1 49 49 VAL H H 49 7.700 7.700 7.927 -0.227 19533 8180 1 20 . 1 1 50 50 HIS N N 50 128.530 128.530 126.277 2.253 19533 8181 1 20 . 1 1 50 50 HIS HA H 50 4.720 4.720 4.889 -0.169 19533 8182 1 20 . 1 1 50 50 HIS C C 50 175.470 175.470 174.114 1.356 19533 8183 1 20 . 1 1 50 50 HIS CA C 50 55.380 55.380 55.353 0.027 19533 8184 1 20 . 1 1 50 50 HIS CB C 50 32.950 32.950 32.291 0.659 19533 8185 1 20 . 1 1 50 50 HIS H H 50 8.350 8.350 8.432 -0.082 19533 8186 1 20 . 1 1 51 51 LYS N N 51 117.460 117.460 120.305 -2.845 19533 8187 1 20 . 1 1 51 51 LYS HA H 51 5.770 5.770 5.610 0.160 19533 8188 1 20 . 1 1 51 51 LYS C C 51 177.900 177.900 175.500 2.400 19533 8189 1 20 . 1 1 51 51 LYS CA C 51 55.210 55.210 55.144 0.066 19533 8190 1 20 . 1 1 51 51 LYS CB C 51 39.360 39.360 36.478 2.882 19533 8191 1 20 . 1 1 51 51 LYS H H 51 8.940 8.940 8.773 0.167 19533 8192 1 20 . 1 1 52 52 ARG N N 52 120.830 120.830 120.490 0.340 19533 8193 1 20 . 1 1 52 52 ARG HA H 52 5.240 5.240 5.079 0.161 19533 8194 1 20 . 1 1 52 52 ARG C C 52 173.860 173.860 174.044 -0.184 19533 8195 1 20 . 1 1 52 52 ARG CA C 52 53.070 53.070 54.842 -1.772 19533 8196 1 20 . 1 1 52 52 ARG CB C 52 34.830 34.830 34.616 0.214 19533 8197 1 20 . 1 1 52 52 ARG H H 52 8.990 8.990 9.140 -0.150 19533 8198 1 20 . 1 1 53 53 LEU N N 53 122.250 122.250 123.491 -1.241 19533 8199 1 20 . 1 1 53 53 LEU HA H 53 5.440 5.440 5.528 -0.088 19533 8200 1 20 . 1 1 53 53 LEU C C 53 176.140 176.140 174.685 1.455 19533 8201 1 20 . 1 1 53 53 LEU CA C 53 53.800 53.800 53.427 0.373 19533 8202 1 20 . 1 1 53 53 LEU CB C 53 46.410 46.410 46.567 -0.157 19533 8203 1 20 . 1 1 53 53 LEU H H 53 8.880 8.880 9.097 -0.217 19533 8204 1 20 . 1 1 54 54 ILE N N 54 124.790 124.790 126.153 -1.363 19533 8205 1 20 . 1 1 54 54 ILE HA H 54 4.420 4.420 4.615 -0.195 19533 8206 1 20 . 1 1 54 54 ILE C C 54 173.160 173.160 174.527 -1.367 19533 8207 1 20 . 1 1 54 54 ILE CA C 54 61.420 61.420 60.176 1.244 19533 8208 1 20 . 1 1 54 54 ILE CB C 54 43.480 43.480 40.677 2.803 19533 8209 1 20 . 1 1 54 54 ILE H H 54 9.280 9.280 9.017 0.263 19533 8210 1 20 . 1 1 55 55 ASP N N 55 126.260 126.260 127.898 -1.638 19533 8211 1 20 . 1 1 55 55 ASP HA H 55 5.800 5.800 5.130 0.670 19533 8212 1 20 . 1 1 55 55 ASP C C 55 175.300 175.300 175.362 -0.062 19533 8213 1 20 . 1 1 55 55 ASP CA C 55 53.120 53.120 53.285 -0.165 19533 8214 1 20 . 1 1 55 55 ASP CB C 55 43.530 43.530 42.796 0.734 19533 8215 1 20 . 1 1 55 55 ASP H H 55 8.560 8.560 8.733 -0.173 19533 8216 1 20 . 1 1 56 56 ILE N N 56 122.260 122.260 121.765 0.495 19533 8217 1 20 . 1 1 56 56 ILE HA H 56 4.620 4.620 4.751 -0.131 19533 8218 1 20 . 1 1 56 56 ILE C C 56 174.610 174.610 175.217 -0.607 19533 8219 1 20 . 1 1 56 56 ILE CA C 56 60.160 60.160 60.327 -0.167 19533 8220 1 20 . 1 1 56 56 ILE CB C 56 38.520 38.520 40.733 -2.213 19533 8221 1 20 . 1 1 56 56 ILE H H 56 9.100 9.100 8.701 0.399 19533 8222 1 20 . 1 1 57 57 ILE N N 57 128.860 128.860 127.486 1.374 19533 8223 1 20 . 1 1 57 57 ILE HA H 57 4.200 4.200 4.398 -0.198 19533 8224 1 20 . 1 1 57 57 ILE C C 57 174.350 174.350 175.105 -0.755 19533 8225 1 20 . 1 1 57 57 ILE CA C 57 60.810 60.810 60.039 0.771 19533 8226 1 20 . 1 1 57 57 ILE CB C 57 39.300 39.300 40.891 -1.591 19533 8227 1 20 . 1 1 57 57 ILE H H 57 8.480 8.480 9.110 -0.630 19533 8228 1 20 . 1 1 58 58 ASP N N 58 122.140 122.140 122.565 -0.425 19533 8229 1 20 . 1 1 58 58 ASP HA H 58 4.450 4.450 4.428 0.022 19533 8230 1 20 . 1 1 58 58 ASP CA C 58 55.110 55.110 54.047 1.063 19533 8231 1 20 . 1 1 58 58 ASP CB C 58 39.500 39.500 40.894 -1.394 19533 8232 1 20 . 1 1 58 58 ASP H H 58 8.760 8.760 8.958 -0.198 19533 8233 1 20 . 1 1 59 59 PRO HA H 59 4.430 4.430 4.462 -0.032 19533 8234 1 20 . 1 1 59 59 PRO C C 59 176.690 176.690 176.459 0.231 19533 8235 1 20 . 1 1 59 59 PRO CA C 59 62.260 62.260 62.807 -0.547 19533 8236 1 20 . 1 1 59 59 PRO CB C 59 31.590 31.590 32.232 -0.642 19533 8237 1 20 . 1 1 60 60 SER N N 60 117.890 117.890 118.195 -0.305 19533 8238 1 20 . 1 1 60 60 SER HA H 60 4.920 4.920 4.919 0.001 19533 8239 1 20 . 1 1 60 60 SER CA C 60 56.020 56.020 55.816 0.204 19533 8240 1 20 . 1 1 60 60 SER CB C 60 64.140 64.140 64.133 0.007 19533 8241 1 20 . 1 1 60 60 SER H H 60 8.050 8.050 7.837 0.213 19533 8242 1 20 . 1 1 61 61 PRO HA H 61 4.240 4.240 4.335 -0.095 19533 8243 1 20 . 1 1 61 61 PRO CA C 61 66.000 66.000 64.740 1.260 19533 8244 1 20 . 1 1 61 61 PRO CB C 61 32.100 32.100 31.983 0.117 19533 8245 1 20 . 1 1 62 62 LYS HA H 62 4.150 4.150 4.164 -0.014 19533 8246 1 20 . 1 1 62 62 LYS C C 62 179.040 179.040 178.816 0.224 19533 8247 1 20 . 1 1 62 62 LYS CA C 62 58.690 58.690 59.527 -0.837 19533 8248 1 20 . 1 1 62 62 LYS CB C 62 32.330 32.330 32.061 0.269 19533 8249 1 20 . 1 1 63 63 THR N N 63 118.760 118.760 116.698 2.062 19533 8250 1 20 . 1 1 63 63 THR HA H 63 3.880 3.880 4.086 -0.206 19533 8251 1 20 . 1 1 63 63 THR C C 63 175.480 175.480 176.112 -0.632 19533 8252 1 20 . 1 1 63 63 THR CA C 63 66.680 66.680 66.663 0.017 19533 8253 1 20 . 1 1 63 63 THR CB C 63 68.380 68.380 68.766 -0.386 19533 8254 1 20 . 1 1 63 63 THR H H 63 7.940 7.940 7.452 0.488 19533 8255 1 20 . 1 1 64 64 ILE N N 64 119.800 119.800 122.077 -2.277 19533 8256 1 20 . 1 1 64 64 ILE HA H 64 3.460 3.460 3.591 -0.131 19533 8257 1 20 . 1 1 64 64 ILE C C 64 176.830 176.830 177.435 -0.605 19533 8258 1 20 . 1 1 64 64 ILE CA C 64 65.180 65.180 65.291 -0.111 19533 8259 1 20 . 1 1 64 64 ILE CB C 64 36.720 36.720 37.645 -0.925 19533 8260 1 20 . 1 1 64 64 ILE H H 64 7.620 7.620 7.463 0.157 19533 8261 1 20 . 1 1 65 65 ASP N N 65 118.090 118.090 120.071 -1.981 19533 8262 1 20 . 1 1 65 65 ASP HA H 65 4.220 4.220 4.290 -0.070 19533 8263 1 20 . 1 1 65 65 ASP C C 65 177.620 177.620 178.568 -0.948 19533 8264 1 20 . 1 1 65 65 ASP CA C 65 57.910 57.910 57.413 0.497 19533 8265 1 20 . 1 1 65 65 ASP CB C 65 42.150 42.150 40.024 2.126 19533 8266 1 20 . 1 1 65 65 ASP H H 65 7.790 7.790 7.817 -0.027 19533 8267 1 20 . 1 1 66 66 ALA N N 66 118.370 118.370 121.874 -3.504 19533 8268 1 20 . 1 1 66 66 ALA HA H 66 3.950 3.950 4.102 -0.152 19533 8269 1 20 . 1 1 66 66 ALA C C 66 181.140 181.140 179.680 1.460 19533 8270 1 20 . 1 1 66 66 ALA CA C 66 54.970 54.970 54.846 0.124 19533 8271 1 20 . 1 1 66 66 ALA CB C 66 18.670 18.670 18.515 0.155 19533 8272 1 20 . 1 1 66 66 ALA H H 66 7.620 7.620 7.595 0.025 19533 8273 1 20 . 1 1 67 67 LEU N N 67 118.030 118.030 119.452 -1.422 19533 8274 1 20 . 1 1 67 67 LEU HA H 67 3.950 3.950 3.980 -0.030 19533 8275 1 20 . 1 1 67 67 LEU C C 67 178.210 178.210 178.329 -0.119 19533 8276 1 20 . 1 1 67 67 LEU CA C 67 57.420 57.420 57.867 -0.447 19533 8277 1 20 . 1 1 67 67 LEU CB C 67 42.100 42.100 42.136 -0.036 19533 8278 1 20 . 1 1 67 67 LEU H H 67 8.180 8.180 7.476 0.704 19533 8279 1 20 . 1 1 68 68 MET N N 68 114.280 114.280 115.850 -1.570 19533 8280 1 20 . 1 1 68 68 MET HA H 68 4.260 4.260 4.147 0.113 19533 8281 1 20 . 1 1 68 68 MET C C 68 177.050 177.050 178.467 -1.417 19533 8282 1 20 . 1 1 68 68 MET CA C 68 56.990 56.990 58.113 -1.123 19533 8283 1 20 . 1 1 68 68 MET CB C 68 32.390 32.390 32.658 -0.268 19533 8284 1 20 . 1 1 68 68 MET H H 68 7.770 7.770 7.725 0.045 19533 8285 1 20 . 1 1 69 69 ARG N N 69 115.480 115.480 117.356 -1.876 19533 8286 1 20 . 1 1 69 69 ARG HA H 69 4.410 4.410 4.254 0.156 19533 8287 1 20 . 1 1 69 69 ARG C C 69 176.480 176.480 177.075 -0.595 19533 8288 1 20 . 1 1 69 69 ARG CA C 69 55.560 55.560 57.852 -2.292 19533 8289 1 20 . 1 1 69 69 ARG CB C 69 30.970 30.970 31.062 -0.092 19533 8290 1 20 . 1 1 69 69 ARG H H 69 7.180 7.180 7.510 -0.330 19533 8291 1 20 . 1 1 70 70 ILE N N 70 119.930 119.930 119.964 -0.034 19533 8292 1 20 . 1 1 70 70 ILE HA H 70 3.930 3.930 4.130 -0.200 19533 8293 1 20 . 1 1 70 70 ILE CA C 70 62.270 62.270 60.560 1.710 19533 8294 1 20 . 1 1 70 70 ILE CB C 70 39.050 39.050 39.251 -0.201 19533 8295 1 20 . 1 1 70 70 ILE H H 70 7.070 7.070 7.511 -0.441 19533 8296 1 20 . 1 1 71 71 ASN HA H 71 4.860 4.860 4.873 -0.013 19533 8297 1 20 . 1 1 71 71 ASN C C 71 174.190 174.190 175.191 -1.001 19533 8298 1 20 . 1 1 71 71 ASN CA C 71 52.330 52.330 52.043 0.287 19533 8299 1 20 . 1 1 71 71 ASN CB C 71 39.180 39.180 39.188 -0.008 19533 8300 1 20 . 1 1 72 72 LEU N N 72 125.700 125.700 124.319 1.381 19533 8301 1 20 . 1 1 72 72 LEU HA H 72 4.610 4.610 4.369 0.241 19533 8302 1 20 . 1 1 72 72 LEU CA C 72 52.410 52.410 53.727 -1.317 19533 8303 1 20 . 1 1 72 72 LEU CB C 72 41.670 41.670 42.514 -0.844 19533 8304 1 20 . 1 1 72 72 LEU H H 72 8.440 8.440 8.332 0.108 19533 8305 1 20 . 1 1 73 73 PRO HA H 73 4.420 4.420 4.476 -0.056 19533 8306 1 20 . 1 1 73 73 PRO C C 73 176.110 176.110 176.080 0.030 19533 8307 1 20 . 1 1 73 73 PRO CA C 73 62.240 62.240 62.625 -0.385 19533 8308 1 20 . 1 1 73 73 PRO CB C 73 32.450 32.450 32.252 0.199 19533 8309 1 20 . 1 1 74 74 ALA N N 74 123.290 123.290 124.526 -1.236 19533 8310 1 20 . 1 1 74 74 ALA HA H 74 4.170 4.170 4.192 -0.022 19533 8311 1 20 . 1 1 74 74 ALA C C 74 178.430 178.430 178.400 0.030 19533 8312 1 20 . 1 1 74 74 ALA CA C 74 53.550 53.550 52.973 0.577 19533 8313 1 20 . 1 1 74 74 ALA CB C 74 18.300 18.300 19.136 -0.836 19533 8314 1 20 . 1 1 74 74 ALA H H 74 8.160 8.160 8.232 -0.072 19533 8315 1 20 . 1 1 75 75 GLY N N 75 106.750 106.750 109.547 -2.797 19533 8316 1 20 . 1 1 75 75 GLY C C 75 174.140 174.140 173.278 0.862 19533 8317 1 20 . 1 1 75 75 GLY CA C 75 45.020 45.020 44.961 0.059 19533 8318 1 20 . 1 1 75 75 GLY H H 75 8.420 8.420 8.684 -0.264 19533 8319 1 20 . 1 1 76 76 VAL N N 76 120.550 120.550 118.707 1.843 19533 8320 1 20 . 1 1 76 76 VAL HA H 76 4.660 4.660 4.744 -0.084 19533 8321 1 20 . 1 1 76 76 VAL C C 76 174.120 174.120 174.344 -0.224 19533 8322 1 20 . 1 1 76 76 VAL CA C 76 61.070 61.070 60.696 0.374 19533 8323 1 20 . 1 1 76 76 VAL CB C 76 32.960 32.960 34.664 -1.704 19533 8324 1 20 . 1 1 76 76 VAL H H 76 7.460 7.460 7.419 0.041 19533 8325 1 20 . 1 1 77 77 ASP N N 77 128.070 128.070 126.847 1.223 19533 8326 1 20 . 1 1 77 77 ASP HA H 77 4.970 4.970 5.069 -0.099 19533 8327 1 20 . 1 1 77 77 ASP C C 77 175.020 175.020 174.823 0.197 19533 8328 1 20 . 1 1 77 77 ASP CA C 77 53.550 53.550 52.880 0.670 19533 8329 1 20 . 1 1 77 77 ASP CB C 77 43.840 43.840 43.305 0.535 19533 8330 1 20 . 1 1 77 77 ASP H H 77 8.950 8.950 8.915 0.035 19533 8331 1 20 . 1 1 78 78 VAL N N 78 122.000 122.000 116.856 5.144 19533 8332 1 20 . 1 1 78 78 VAL HA H 78 4.850 4.850 5.191 -0.341 19533 8333 1 20 . 1 1 78 78 VAL C C 78 174.280 174.280 174.700 -0.420 19533 8334 1 20 . 1 1 78 78 VAL CA C 78 60.720 60.720 58.957 1.763 19533 8335 1 20 . 1 1 78 78 VAL CB C 78 34.600 34.600 34.892 -0.292 19533 8336 1 20 . 1 1 78 78 VAL H H 78 8.460 8.460 8.252 0.208 19533 8337 1 20 . 1 1 79 79 GLU N N 79 127.380 127.380 125.085 2.295 19533 8338 1 20 . 1 1 79 79 GLU CA C 79 54.800 54.800 55.375 -0.575 19533 8339 1 20 . 1 1 79 79 GLU CB C 79 33.610 33.610 31.606 2.004 19533 8340 1 20 . 1 1 79 79 GLU H H 79 8.820 8.820 8.292 0.528 19533 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 66 2.160 0.007 2.177 19533 2 1 1 "Average Difference" HA 79 0.282 -0.037 0.282 19533 3 1 1 "Average Difference" C 65 0.852 0.108 0.852 19533 4 1 1 "Average Difference" CA 76 0.906 -0.051 0.911 19533 5 1 1 "Average Difference" CB 73 1.519 0.058 1.528 19533 6 1 1 "Average Difference" HN 66 0.458 -0.001 0.462 19533 7 1 2 "Average Difference" N 66 2.579 -0.121 2.596 19533 8 1 2 "Average Difference" HA 79 0.269 -0.009 0.270 19533 9 1 2 "Average Difference" C 65 0.916 0.016 0.923 19533 10 1 2 "Average Difference" CA 76 1.018 -0.101 1.019 19533 11 1 2 "Average Difference" CB 73 1.456 0.103 1.463 19533 12 1 2 "Average Difference" HN 66 0.417 0.006 0.420 19533 13 1 3 "Average Difference" N 66 2.261 0.473 2.227 19533 14 1 3 "Average Difference" HA 79 0.296 -0.025 0.297 19533 15 1 3 "Average Difference" C 65 0.890 0.080 0.893 19533 16 1 3 "Average Difference" CA 76 1.047 -0.054 1.052 19533 17 1 3 "Average Difference" CB 73 1.501 0.071 1.510 19533 18 1 3 "Average Difference" HN 66 0.442 0.007 0.446 19533 19 1 4 "Average Difference" N 66 2.716 0.048 2.737 19533 20 1 4 "Average Difference" HA 79 0.285 -0.036 0.284 19533 21 1 4 "Average Difference" C 65 0.870 0.097 0.871 19533 22 1 4 "Average Difference" CA 76 1.100 -0.037 1.107 19533 23 1 4 "Average Difference" CB 73 1.516 0.121 1.521 19533 24 1 4 "Average Difference" HN 66 0.413 0.019 0.416 19533 25 1 5 "Average Difference" N 66 2.355 0.181 2.366 19533 26 1 5 "Average Difference" HA 79 0.269 -0.049 0.266 19533 27 1 5 "Average Difference" C 65 0.925 0.056 0.930 19533 28 1 5 "Average Difference" CA 76 0.963 -0.023 0.969 19533 29 1 5 "Average Difference" CB 73 1.597 0.004 1.608 19533 30 1 5 "Average Difference" HN 66 0.421 0.005 0.424 19533 31 1 6 "Average Difference" N 66 2.087 0.131 2.099 19533 32 1 6 "Average Difference" HA 79 0.265 -0.019 0.266 19533 33 1 6 "Average Difference" C 65 0.873 0.023 0.880 19533 34 1 6 "Average Difference" CA 76 1.048 -0.038 1.055 19533 35 1 6 "Average Difference" CB 73 1.465 0.151 1.468 19533 36 1 6 "Average Difference" HN 66 0.406 -0.014 0.409 19533 37 1 7 "Average Difference" N 66 2.369 -0.136 2.384 19533 38 1 7 "Average Difference" HA 79 0.260 -0.023 0.260 19533 39 1 7 "Average Difference" C 65 0.895 0.063 0.900 19533 40 1 7 "Average Difference" CA 76 0.994 -0.096 0.996 19533 41 1 7 "Average Difference" CB 73 1.541 0.137 1.546 19533 42 1 7 "Average Difference" HN 66 0.392 0.018 0.395 19533 43 1 8 "Average Difference" N 66 2.320 0.277 2.321 19533 44 1 8 "Average Difference" HA 79 0.287 -0.035 0.286 19533 45 1 8 "Average Difference" C 65 0.879 0.045 0.884 19533 46 1 8 "Average Difference" CA 76 1.120 -0.017 1.127 19533 47 1 8 "Average Difference" CB 73 1.466 0.164 1.467 19533 48 1 8 "Average Difference" HN 66 0.410 0.039 0.411 19533 49 1 9 "Average Difference" N 66 2.470 0.042 2.488 19533 50 1 9 "Average Difference" HA 79 0.279 -0.023 0.280 19533 51 1 9 "Average Difference" C 65 0.927 0.063 0.932 19533 52 1 9 "Average Difference" CA 76 1.166 -0.124 1.167 19533 53 1 9 "Average Difference" CB 73 1.640 0.167 1.643 19533 54 1 9 "Average Difference" HN 66 0.454 0.004 0.457 19533 55 1 10 "Average Difference" N 66 2.227 0.191 2.235 19533 56 1 10 "Average Difference" HA 79 0.290 -0.025 0.290 19533 57 1 10 "Average Difference" C 65 0.911 0.091 0.913 19533 58 1 10 "Average Difference" CA 76 1.106 -0.059 1.112 19533 59 1 10 "Average Difference" CB 73 1.467 0.130 1.472 19533 60 1 10 "Average Difference" HN 66 0.434 0.037 0.436 19533 61 1 11 "Average Difference" N 66 2.057 0.211 2.062 19533 62 1 11 "Average Difference" HA 79 0.293 -0.024 0.294 19533 63 1 11 "Average Difference" C 65 0.853 0.067 0.857 19533 64 1 11 "Average Difference" CA 76 1.087 -0.049 1.093 19533 65 1 11 "Average Difference" CB 73 1.458 0.108 1.464 19533 66 1 11 "Average Difference" HN 66 0.427 0.030 0.429 19533 67 1 12 "Average Difference" N 66 2.263 0.042 2.280 19533 68 1 12 "Average Difference" HA 79 0.290 -0.020 0.291 19533 69 1 12 "Average Difference" C 65 0.920 0.034 0.927 19533 70 1 12 "Average Difference" CA 76 0.999 -0.024 1.005 19533 71 1 12 "Average Difference" CB 73 1.566 0.061 1.576 19533 72 1 12 "Average Difference" HN 66 0.416 -0.014 0.419 19533 73 1 13 "Average Difference" N 66 2.296 0.354 2.286 19533 74 1 13 "Average Difference" HA 79 0.295 -0.038 0.294 19533 75 1 13 "Average Difference" C 65 0.918 0.079 0.922 19533 76 1 13 "Average Difference" CA 76 1.071 -0.015 1.078 19533 77 1 13 "Average Difference" CB 73 1.526 0.067 1.535 19533 78 1 13 "Average Difference" HN 66 0.406 0.006 0.409 19533 79 1 14 "Average Difference" N 66 2.183 0.167 2.194 19533 80 1 14 "Average Difference" HA 79 0.265 -0.018 0.266 19533 81 1 14 "Average Difference" C 65 0.937 0.114 0.937 19533 82 1 14 "Average Difference" CA 76 0.943 -0.077 0.946 19533 83 1 14 "Average Difference" CB 73 1.490 -0.002 1.501 19533 84 1 14 "Average Difference" HN 66 0.439 -0.001 0.443 19533 85 1 15 "Average Difference" N 66 2.364 0.018 2.382 19533 86 1 15 "Average Difference" HA 79 0.279 -0.012 0.280 19533 87 1 15 "Average Difference" C 65 0.845 0.090 0.846 19533 88 1 15 "Average Difference" CA 76 1.051 -0.062 1.057 19533 89 1 15 "Average Difference" CB 73 1.488 0.161 1.489 19533 90 1 15 "Average Difference" HN 66 0.421 0.003 0.424 19533 91 1 16 "Average Difference" N 66 2.528 0.014 2.548 19533 92 1 16 "Average Difference" HA 79 0.304 -0.017 0.306 19533 93 1 16 "Average Difference" C 65 0.933 0.063 0.938 19533 94 1 16 "Average Difference" CA 76 1.133 -0.082 1.138 19533 95 1 16 "Average Difference" CB 73 1.459 0.157 1.460 19533 96 1 16 "Average Difference" HN 66 0.427 0.010 0.430 19533 97 1 17 "Average Difference" N 66 2.588 0.060 2.607 19533 98 1 17 "Average Difference" HA 79 0.275 -0.042 0.274 19533 99 1 17 "Average Difference" C 65 0.887 0.085 0.890 19533 100 1 17 "Average Difference" CA 76 0.944 -0.073 0.947 19533 101 1 17 "Average Difference" CB 73 1.541 0.033 1.551 19533 102 1 17 "Average Difference" HN 66 0.386 0.002 0.389 19533 103 1 18 "Average Difference" N 66 2.425 0.305 2.424 19533 104 1 18 "Average Difference" HA 79 0.306 -0.048 0.304 19533 105 1 18 "Average Difference" C 65 0.855 0.068 0.859 19533 106 1 18 "Average Difference" CA 76 1.117 -0.100 1.120 19533 107 1 18 "Average Difference" CB 73 1.499 0.045 1.509 19533 108 1 18 "Average Difference" HN 66 0.427 0.003 0.430 19533 109 1 19 "Average Difference" N 66 2.465 0.125 2.480 19533 110 1 19 "Average Difference" HA 79 0.301 -0.016 0.303 19533 111 1 19 "Average Difference" C 65 0.916 0.059 0.921 19533 112 1 19 "Average Difference" CA 76 1.050 -0.065 1.055 19533 113 1 19 "Average Difference" CB 73 1.522 0.104 1.529 19533 114 1 19 "Average Difference" HN 66 0.433 0.020 0.436 19533 115 1 20 "Average Difference" N 66 2.532 0.181 2.545 19533 116 1 20 "Average Difference" HA 79 0.287 -0.006 0.289 19533 117 1 20 "Average Difference" C 65 0.879 0.024 0.885 19533 118 1 20 "Average Difference" CA 76 1.153 -0.083 1.158 19533 119 1 20 "Average Difference" CB 73 1.525 0.090 1.533 19533 120 1 20 "Average Difference" HN 66 0.382 0.051 0.382 19533 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 19533 _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 3 3 GLY C C 3 174.400 174.400 175.016 -0.616 19533 2 1 . 1 1 3 3 GLY CA C 3 45.570 45.570 44.808 0.762 19533 3 1 . 1 1 4 4 GLY N N 4 109.110 109.110 107.611 1.499 19533 4 1 . 1 1 4 4 GLY C C 4 174.070 174.070 174.301 -0.231 19533 5 1 . 1 1 4 4 GLY CA C 4 45.410 45.410 45.234 0.176 19533 6 1 . 1 1 4 4 GLY H H 4 8.380 8.380 8.415 -0.035 19533 7 1 . 1 1 5 5 GLN N N 5 119.810 119.810 119.781 0.029 19533 8 1 . 1 1 5 5 GLN HA H 5 4.470 4.470 4.547 -0.077 19533 9 1 . 1 1 5 5 GLN C C 5 174.980 174.980 174.571 0.409 19533 10 1 . 1 1 5 5 GLN CA C 5 56.300 56.300 54.944 1.357 19533 11 1 . 1 1 5 5 GLN CB C 5 30.080 30.080 30.520 -0.440 19533 12 1 . 1 1 5 5 GLN H H 5 8.280 8.280 8.051 0.229 19533 13 1 . 1 1 6 6 LYS N N 6 120.240 120.240 120.123 0.117 19533 14 1 . 1 1 6 6 LYS HA H 6 5.080 5.080 5.059 0.021 19533 15 1 . 1 1 6 6 LYS C C 6 175.110 175.110 175.269 -0.159 19533 16 1 . 1 1 6 6 LYS CA C 6 55.330 55.330 54.728 0.602 19533 17 1 . 1 1 6 6 LYS CB C 6 35.450 35.450 35.406 0.044 19533 18 1 . 1 1 6 6 LYS H H 6 8.080 8.080 8.319 -0.239 19533 19 1 . 1 1 7 7 ILE N N 7 120.690 120.690 122.431 -1.741 19533 20 1 . 1 1 7 7 ILE HA H 7 4.540 4.540 4.396 0.144 19533 21 1 . 1 1 7 7 ILE C C 7 173.880 173.880 174.895 -1.015 19533 22 1 . 1 1 7 7 ILE CA C 7 60.520 60.520 60.053 0.467 19533 23 1 . 1 1 7 7 ILE CB C 7 40.830 40.830 41.100 -0.270 19533 24 1 . 1 1 7 7 ILE H H 7 8.770 8.770 8.435 0.335 19533 25 1 . 1 1 8 8 ARG N N 8 127.060 127.060 124.746 2.314 19533 26 1 . 1 1 8 8 ARG HA H 8 5.330 5.330 5.328 0.002 19533 27 1 . 1 1 8 8 ARG C C 8 174.690 174.690 175.320 -0.630 19533 28 1 . 1 1 8 8 ARG CA C 8 55.070 55.070 54.687 0.383 19533 29 1 . 1 1 8 8 ARG CB C 8 32.370 32.370 33.245 -0.875 19533 30 1 . 1 1 8 8 ARG H H 8 8.480 8.480 8.521 -0.041 19533 31 1 . 1 1 9 9 ILE N N 9 127.670 127.670 123.759 3.911 19533 32 1 . 1 1 9 9 ILE HA H 9 4.800 4.800 4.426 0.374 19533 33 1 . 1 1 9 9 ILE C C 9 174.380 174.380 174.735 -0.355 19533 34 1 . 1 1 9 9 ILE CA C 9 60.240 60.240 59.946 0.294 19533 35 1 . 1 1 9 9 ILE CB C 9 39.860 39.860 41.233 -1.373 19533 36 1 . 1 1 9 9 ILE H H 9 9.540 9.540 8.758 0.782 19533 37 1 . 1 1 10 10 LYS N N 10 127.240 127.240 126.992 0.248 19533 38 1 . 1 1 10 10 LYS HA H 10 5.220 5.220 5.180 0.040 19533 39 1 . 1 1 10 10 LYS C C 10 175.130 175.130 175.446 -0.316 19533 40 1 . 1 1 10 10 LYS CA C 10 54.760 54.760 55.153 -0.393 19533 41 1 . 1 1 10 10 LYS CB C 10 34.940 34.940 34.546 0.394 19533 42 1 . 1 1 10 10 LYS H H 10 9.050 9.050 8.605 0.445 19533 43 1 . 1 1 11 11 LEU N N 11 124.480 124.480 125.823 -1.343 19533 44 1 . 1 1 11 11 LEU HA H 11 5.450 5.450 5.205 0.245 19533 45 1 . 1 1 11 11 LEU C C 11 176.000 176.000 176.063 -0.063 19533 46 1 . 1 1 11 11 LEU CA C 11 53.320 53.320 53.594 -0.274 19533 47 1 . 1 1 11 11 LEU CB C 11 46.960 46.960 43.684 3.276 19533 48 1 . 1 1 11 11 LEU H H 11 8.790 8.790 8.959 -0.169 19533 49 1 . 1 1 12 12 LYS N N 12 119.690 119.690 122.232 -2.542 19533 50 1 . 1 1 12 12 LYS HA H 12 5.570 5.570 5.249 0.321 19533 51 1 . 1 1 12 12 LYS C C 12 174.610 174.610 174.994 -0.384 19533 52 1 . 1 1 12 12 LYS CA C 12 54.600 54.600 54.828 -0.228 19533 53 1 . 1 1 12 12 LYS CB C 12 36.480 36.480 35.815 0.665 19533 54 1 . 1 1 12 12 LYS H H 12 8.550 8.550 8.483 0.067 19533 55 1 . 1 1 13 13 ALA N N 13 120.780 120.780 125.539 -4.759 19533 56 1 . 1 1 13 13 ALA HA H 13 4.720 4.720 4.793 -0.073 19533 57 1 . 1 1 13 13 ALA C C 13 176.120 176.120 176.249 -0.129 19533 58 1 . 1 1 13 13 ALA CA C 13 52.230 52.230 51.777 0.453 19533 59 1 . 1 1 13 13 ALA CB C 13 24.780 24.780 21.791 2.989 19533 60 1 . 1 1 13 13 ALA H H 13 8.740 8.740 8.098 0.642 19533 61 1 . 1 1 14 14 TYR N N 14 117.810 117.810 121.323 -3.513 19533 62 1 . 1 1 14 14 TYR HA H 14 4.920 4.920 4.434 0.486 19533 63 1 . 1 1 14 14 TYR C C 14 175.960 175.960 176.150 -0.190 19533 64 1 . 1 1 14 14 TYR CA C 14 59.790 59.790 61.081 -1.291 19533 65 1 . 1 1 14 14 TYR CB C 14 38.840 38.840 38.927 -0.087 19533 66 1 . 1 1 14 14 TYR H H 14 8.670 8.670 8.849 -0.179 19533 67 1 . 1 1 15 15 ASP N N 15 118.650 118.650 117.069 1.581 19533 68 1 . 1 1 15 15 ASP HA H 15 4.890 4.890 4.891 -0.001 19533 69 1 . 1 1 15 15 ASP C C 15 175.980 175.980 176.786 -0.807 19533 70 1 . 1 1 15 15 ASP CA C 15 52.830 52.830 53.612 -0.782 19533 71 1 . 1 1 15 15 ASP CB C 15 42.420 42.420 41.495 0.925 19533 72 1 . 1 1 15 15 ASP H H 15 7.390 7.390 8.045 -0.655 19533 73 1 . 1 1 16 16 HIS N N 16 124.080 124.080 124.385 -0.305 19533 74 1 . 1 1 16 16 HIS HA H 16 3.830 3.830 4.168 -0.338 19533 75 1 . 1 1 16 16 HIS C C 16 176.000 176.000 176.507 -0.507 19533 76 1 . 1 1 16 16 HIS CA C 16 59.190 59.190 59.341 -0.151 19533 77 1 . 1 1 16 16 HIS CB C 16 29.030 29.030 29.455 -0.425 19533 78 1 . 1 1 16 16 HIS H H 16 8.190 8.190 8.714 -0.524 19533 79 1 . 1 1 17 17 GLU N N 17 121.830 121.830 119.744 2.086 19533 80 1 . 1 1 17 17 GLU HA H 17 4.040 4.040 3.848 0.192 19533 81 1 . 1 1 17 17 GLU C C 17 179.540 179.540 178.538 1.002 19533 82 1 . 1 1 17 17 GLU CA C 17 59.520 59.520 59.145 0.375 19533 83 1 . 1 1 17 17 GLU CB C 17 29.020 29.020 28.875 0.145 19533 84 1 . 1 1 17 17 GLU H H 17 7.740 7.740 7.869 -0.129 19533 85 1 . 1 1 18 18 LEU N N 18 121.120 121.120 119.287 1.833 19533 86 1 . 1 1 18 18 LEU HA H 18 4.030 4.030 4.078 -0.048 19533 87 1 . 1 1 18 18 LEU C C 18 180.600 180.600 178.954 1.646 19533 88 1 . 1 1 18 18 LEU CA C 18 57.050 57.050 57.510 -0.460 19533 89 1 . 1 1 18 18 LEU CB C 18 42.390 42.390 41.610 0.780 19533 90 1 . 1 1 18 18 LEU H H 18 7.510 7.510 7.678 -0.168 19533 91 1 . 1 1 19 19 LEU N N 19 121.190 121.190 120.095 1.095 19533 92 1 . 1 1 19 19 LEU HA H 19 3.750 3.750 3.939 -0.189 19533 93 1 . 1 1 19 19 LEU C C 19 177.580 177.580 178.578 -0.998 19533 94 1 . 1 1 19 19 LEU CA C 19 57.950 57.950 57.887 0.063 19533 95 1 . 1 1 19 19 LEU CB C 19 42.100 42.100 41.368 0.732 19533 96 1 . 1 1 19 19 LEU H H 19 7.780 7.780 7.605 0.175 19533 97 1 . 1 1 20 20 ASP N N 20 119.750 119.750 119.484 0.266 19533 98 1 . 1 1 20 20 ASP HA H 20 4.490 4.490 4.284 0.206 19533 99 1 . 1 1 20 20 ASP C C 20 179.450 179.450 178.502 0.948 19533 100 1 . 1 1 20 20 ASP CA C 20 58.070 58.070 57.635 0.435 19533 101 1 . 1 1 20 20 ASP CB C 20 40.130 40.130 40.460 -0.330 19533 102 1 . 1 1 20 20 ASP H H 20 8.150 8.150 8.146 0.004 19533 103 1 . 1 1 21 21 GLU N N 21 120.710 120.710 119.623 1.087 19533 104 1 . 1 1 21 21 GLU HA H 21 4.080 4.080 4.030 0.050 19533 105 1 . 1 1 21 21 GLU C C 21 179.370 179.370 179.037 0.333 19533 106 1 . 1 1 21 21 GLU CA C 21 59.210 59.210 59.450 -0.240 19533 107 1 . 1 1 21 21 GLU CB C 21 29.650 29.650 29.602 0.048 19533 108 1 . 1 1 21 21 GLU H H 21 8.050 8.050 7.801 0.249 19533 109 1 . 1 1 22 22 SER N N 22 116.150 116.150 115.873 0.277 19533 110 1 . 1 1 22 22 SER HA H 22 4.090 4.090 4.156 -0.066 19533 111 1 . 1 1 22 22 SER C C 22 175.000 175.000 176.600 -1.600 19533 112 1 . 1 1 22 22 SER CA C 22 62.900 62.900 61.612 1.288 19533 113 1 . 1 1 22 22 SER CB C 22 62.900 62.900 62.915 -0.015 19533 114 1 . 1 1 22 22 SER H H 22 7.950 7.950 8.003 -0.053 19533 115 1 . 1 1 23 23 ALA N N 23 123.240 123.240 124.252 -1.012 19533 116 1 . 1 1 23 23 ALA HA H 23 3.760 3.760 4.105 -0.345 19533 117 1 . 1 1 23 23 ALA C C 23 178.540 178.540 179.213 -0.673 19533 118 1 . 1 1 23 23 ALA CA C 23 55.190 55.190 55.117 0.073 19533 119 1 . 1 1 23 23 ALA CB C 23 17.870 17.870 18.263 -0.393 19533 120 1 . 1 1 23 23 ALA H H 23 8.560 8.560 8.214 0.346 19533 121 1 . 1 1 24 24 LYS N N 24 116.780 116.780 119.059 -2.279 19533 122 1 . 1 1 24 24 LYS HA H 24 3.840 3.840 3.938 -0.098 19533 123 1 . 1 1 24 24 LYS C C 24 178.720 178.720 178.709 0.011 19533 124 1 . 1 1 24 24 LYS CA C 24 59.940 59.940 59.789 0.151 19533 125 1 . 1 1 24 24 LYS CB C 24 32.250 32.250 32.315 -0.065 19533 126 1 . 1 1 24 24 LYS H H 24 7.750 7.750 8.116 -0.366 19533 127 1 . 1 1 25 25 LYS N N 25 118.950 118.950 119.258 -0.308 19533 128 1 . 1 1 25 25 LYS HA H 25 4.040 4.040 4.047 -0.007 19533 129 1 . 1 1 25 25 LYS C C 25 178.720 178.720 179.172 -0.452 19533 130 1 . 1 1 25 25 LYS CA C 25 59.000 59.000 59.580 -0.580 19533 131 1 . 1 1 25 25 LYS CB C 25 32.120 32.120 32.406 -0.286 19533 132 1 . 1 1 25 25 LYS H H 25 7.580 7.580 7.896 -0.316 19533 133 1 . 1 1 26 26 ILE N N 26 118.310 118.310 120.161 -1.851 19533 134 1 . 1 1 26 26 ILE HA H 26 3.470 3.470 3.751 -0.281 19533 135 1 . 1 1 26 26 ILE CA C 26 65.060 65.060 64.484 0.576 19533 136 1 . 1 1 26 26 ILE CB C 26 36.720 36.720 37.379 -0.659 19533 137 1 . 1 1 26 26 ILE H H 26 7.610 7.610 7.876 -0.266 19533 138 1 . 1 1 27 27 VAL N N 27 118.900 118.900 120.940 -2.040 19533 139 1 . 1 1 27 27 VAL HA H 27 3.390 3.390 3.518 -0.128 19533 140 1 . 1 1 27 27 VAL C C 27 177.550 177.550 178.136 -0.586 19533 141 1 . 1 1 27 27 VAL CA C 27 67.630 67.630 67.341 0.289 19533 142 1 . 1 1 27 27 VAL CB C 27 31.420 31.420 31.102 0.318 19533 143 1 . 1 1 27 27 VAL H H 27 7.950 7.950 8.591 -0.641 19533 144 1 . 1 1 28 28 GLU N N 28 118.800 118.800 120.192 -1.392 19533 145 1 . 1 1 28 28 GLU HA H 28 3.980 3.980 4.031 -0.051 19533 146 1 . 1 1 28 28 GLU C C 28 180.130 180.130 179.384 0.746 19533 147 1 . 1 1 28 28 GLU CA C 28 59.740 59.740 59.788 -0.048 19533 148 1 . 1 1 28 28 GLU CB C 28 29.380 29.380 29.509 -0.129 19533 149 1 . 1 1 28 28 GLU H H 28 8.180 8.180 8.280 -0.100 19533 150 1 . 1 1 29 29 VAL N N 29 120.730 120.730 119.735 0.995 19533 151 1 . 1 1 29 29 VAL HA H 29 3.710 3.710 3.746 -0.036 19533 152 1 . 1 1 29 29 VAL C C 29 179.240 179.240 178.094 1.146 19533 153 1 . 1 1 29 29 VAL CA C 29 66.290 66.290 65.805 0.485 19533 154 1 . 1 1 29 29 VAL CB C 29 31.420 31.420 31.438 -0.018 19533 155 1 . 1 1 29 29 VAL H H 29 8.120 8.120 7.916 0.204 19533 156 1 . 1 1 30 30 ALA N N 30 123.770 123.770 122.635 1.135 19533 157 1 . 1 1 30 30 ALA HA H 30 3.880 3.880 4.020 -0.140 19533 158 1 . 1 1 30 30 ALA C C 30 179.630 179.630 179.643 -0.013 19533 159 1 . 1 1 30 30 ALA CA C 30 55.560 55.560 55.209 0.351 19533 160 1 . 1 1 30 30 ALA CB C 30 18.000 18.000 18.402 -0.402 19533 161 1 . 1 1 30 30 ALA H H 30 8.310 8.310 8.584 -0.274 19533 162 1 . 1 1 31 31 LYS N N 31 118.260 118.260 118.301 -0.041 19533 163 1 . 1 1 31 31 LYS HA H 31 4.200 4.200 4.033 0.167 19533 164 1 . 1 1 31 31 LYS C C 31 180.710 180.710 178.230 2.480 19533 165 1 . 1 1 31 31 LYS CA C 31 59.910 59.910 58.943 0.967 19533 166 1 . 1 1 31 31 LYS CB C 31 32.270 32.270 32.363 -0.093 19533 167 1 . 1 1 31 31 LYS H H 31 8.710 8.710 8.416 0.294 19533 168 1 . 1 1 32 32 SER N N 32 115.760 115.760 111.938 3.822 19533 169 1 . 1 1 32 32 SER HA H 32 4.380 4.380 4.295 0.085 19533 170 1 . 1 1 32 32 SER C C 32 175.120 175.120 175.175 -0.055 19533 171 1 . 1 1 32 32 SER CA C 32 61.300 61.300 60.141 1.159 19533 172 1 . 1 1 32 32 SER CB C 32 63.220 63.220 63.438 -0.218 19533 173 1 . 1 1 32 32 SER H H 32 8.310 8.310 7.800 0.510 19533 174 1 . 1 1 33 33 THR N N 33 108.990 108.990 114.606 -5.616 19533 175 1 . 1 1 33 33 THR HA H 33 4.490 4.490 4.391 0.099 19533 176 1 . 1 1 33 33 THR C C 33 173.390 173.390 174.681 -1.291 19533 177 1 . 1 1 33 33 THR CA C 33 60.910 60.910 61.851 -0.941 19533 178 1 . 1 1 33 33 THR CB C 33 68.860 68.860 70.167 -1.307 19533 179 1 . 1 1 33 33 THR H H 33 7.330 7.330 7.525 -0.195 19533 180 1 . 1 1 34 34 ASN N N 34 115.250 115.250 118.927 -3.677 19533 181 1 . 1 1 34 34 ASN HA H 34 4.450 4.450 4.502 -0.052 19533 182 1 . 1 1 34 34 ASN C C 34 174.490 174.490 175.942 -1.452 19533 183 1 . 1 1 34 34 ASN CA C 34 54.800 54.800 54.951 -0.151 19533 184 1 . 1 1 34 34 ASN CB C 34 37.160 37.160 38.423 -1.263 19533 185 1 . 1 1 34 34 ASN H H 34 7.910 7.910 8.713 -0.803 19533 186 1 . 1 1 35 35 SER N N 35 113.160 113.160 114.647 -1.487 19533 187 1 . 1 1 35 35 SER HA H 35 4.830 4.830 4.562 0.268 19533 188 1 . 1 1 35 35 SER C C 35 173.250 173.250 173.748 -0.498 19533 189 1 . 1 1 35 35 SER CA C 35 58.550 58.550 59.019 -0.469 19533 190 1 . 1 1 35 35 SER CB C 35 64.910 64.910 64.337 0.573 19533 191 1 . 1 1 35 35 SER H H 35 7.800 7.800 7.775 0.025 19533 192 1 . 1 1 36 36 LYS N N 36 123.770 123.770 121.448 2.322 19533 193 1 . 1 1 36 36 LYS HA H 36 4.420 4.420 4.650 -0.230 19533 194 1 . 1 1 36 36 LYS C C 36 175.270 175.270 175.095 0.175 19533 195 1 . 1 1 36 36 LYS CA C 36 56.290 56.290 55.200 1.090 19533 196 1 . 1 1 36 36 LYS CB C 36 33.390 33.390 35.659 -2.269 19533 197 1 . 1 1 36 36 LYS H H 36 8.390 8.390 8.269 0.121 19533 198 1 . 1 1 37 37 VAL N N 37 119.710 119.710 122.014 -2.304 19533 199 1 . 1 1 37 37 VAL HA H 37 5.010 5.010 4.791 0.219 19533 200 1 . 1 1 37 37 VAL C C 37 175.120 175.120 174.953 0.167 19533 201 1 . 1 1 37 37 VAL CA C 37 59.800 59.800 60.353 -0.553 19533 202 1 . 1 1 37 37 VAL CB C 37 35.260 35.260 34.565 0.695 19533 203 1 . 1 1 37 37 VAL H H 37 8.130 8.130 8.415 -0.285 19533 204 1 . 1 1 38 38 SER N N 38 121.650 121.650 120.803 0.847 19533 205 1 . 1 1 38 38 SER HA H 38 4.810 4.810 4.865 -0.055 19533 206 1 . 1 1 38 38 SER C C 38 173.290 173.290 173.247 0.043 19533 207 1 . 1 1 38 38 SER CA C 38 56.930 56.930 56.800 0.130 19533 208 1 . 1 1 38 38 SER CB C 38 64.420 64.420 65.190 -0.770 19533 209 1 . 1 1 38 38 SER H H 38 9.060 9.060 9.161 -0.101 19533 210 1 . 1 1 39 39 GLY N N 39 112.740 112.740 111.702 1.038 19533 211 1 . 1 1 39 39 GLY CA C 39 43.180 43.180 44.599 -1.419 19533 212 1 . 1 1 39 39 GLY H H 39 8.430 8.430 8.232 0.198 19533 213 1 . 1 1 40 40 PRO HA H 40 4.760 4.760 4.481 0.279 19533 214 1 . 1 1 40 40 PRO C C 40 175.760 175.760 175.842 -0.082 19533 215 1 . 1 1 40 40 PRO CA C 40 61.350 61.350 62.967 -1.617 19533 216 1 . 1 1 40 40 PRO CB C 40 34.780 34.780 32.531 2.249 19533 217 1 . 1 1 41 41 ILE N N 41 125.440 125.440 123.638 1.802 19533 218 1 . 1 1 41 41 ILE HA H 41 4.750 4.750 4.474 0.276 19533 219 1 . 1 1 41 41 ILE CA C 41 57.700 57.700 58.648 -0.948 19533 220 1 . 1 1 41 41 ILE CB C 41 40.570 40.570 38.417 2.153 19533 221 1 . 1 1 41 41 ILE H H 41 9.560 9.560 8.960 0.600 19533 222 1 . 1 1 42 42 PRO HA H 42 4.820 4.820 4.542 0.278 19533 223 1 . 1 1 42 42 PRO C C 42 175.600 175.600 175.837 -0.237 19533 224 1 . 1 1 42 42 PRO CA C 42 62.720 62.720 62.926 -0.206 19533 225 1 . 1 1 42 42 PRO CB C 42 31.740 31.740 32.152 -0.412 19533 226 1 . 1 1 43 43 LEU N N 43 123.010 123.010 125.255 -2.245 19533 227 1 . 1 1 43 43 LEU HA H 43 4.830 4.830 4.855 -0.025 19533 228 1 . 1 1 43 43 LEU CA C 43 51.960 51.960 51.648 0.312 19533 229 1 . 1 1 43 43 LEU CB C 43 42.460 42.460 42.946 -0.486 19533 230 1 . 1 1 43 43 LEU H H 43 7.230 7.230 8.111 -0.881 19533 231 1 . 1 1 44 44 PRO HA H 44 4.370 4.370 4.517 -0.147 19533 232 1 . 1 1 44 44 PRO C C 44 176.620 176.620 175.979 0.641 19533 233 1 . 1 1 44 44 PRO CA C 44 63.660 63.660 62.774 0.886 19533 234 1 . 1 1 44 44 PRO CB C 44 31.780 31.780 31.976 -0.196 19533 235 1 . 1 1 45 45 THR N N 45 121.280 121.280 116.111 5.169 19533 236 1 . 1 1 45 45 THR HA H 45 4.380 4.380 4.581 -0.201 19533 237 1 . 1 1 45 45 THR CA C 45 63.240 63.240 61.464 1.776 19533 238 1 . 1 1 45 45 THR CB C 45 69.520 69.520 70.405 -0.885 19533 239 1 . 1 1 45 45 THR H H 45 8.360 8.360 8.111 0.249 19533 240 1 . 1 1 46 46 GLU C C 46 176.830 176.830 176.301 0.529 19533 241 1 . 1 1 46 46 GLU CB C 46 24.950 24.950 32.029 -7.079 19533 242 1 . 1 1 47 47 SER N N 47 121.430 121.430 120.638 0.792 19533 243 1 . 1 1 47 47 SER HA H 47 4.910 4.910 4.051 0.859 19533 244 1 . 1 1 47 47 SER CA C 47 55.810 55.810 60.340 -4.530 19533 245 1 . 1 1 47 47 SER CB C 47 64.100 64.100 62.612 1.488 19533 246 1 . 1 1 47 47 SER H H 47 7.820 7.820 9.071 -1.251 19533 247 1 . 1 1 48 48 ARG HA H 48 3.650 3.650 4.280 -0.630 19533 248 1 . 1 1 48 48 ARG C C 48 173.650 173.650 174.292 -0.642 19533 249 1 . 1 1 48 48 ARG CA C 48 58.000 58.000 55.870 2.130 19533 250 1 . 1 1 48 48 ARG CB C 48 28.170 28.170 31.192 -3.022 19533 251 1 . 1 1 49 49 VAL N N 49 119.480 119.480 119.348 0.132 19533 252 1 . 1 1 49 49 VAL HA H 49 3.530 3.530 4.224 -0.694 19533 253 1 . 1 1 49 49 VAL C C 49 174.680 174.680 174.465 0.215 19533 254 1 . 1 1 49 49 VAL CA C 49 62.880 62.880 60.937 1.943 19533 255 1 . 1 1 49 49 VAL CB C 49 32.030 32.030 34.325 -2.295 19533 256 1 . 1 1 49 49 VAL H H 49 7.700 7.700 8.122 -0.422 19533 257 1 . 1 1 50 50 HIS N N 50 128.530 128.530 125.981 2.549 19533 258 1 . 1 1 50 50 HIS HA H 50 4.720 4.720 4.910 -0.190 19533 259 1 . 1 1 50 50 HIS C C 50 175.470 175.470 174.060 1.410 19533 260 1 . 1 1 50 50 HIS CA C 50 55.380 55.380 55.210 0.170 19533 261 1 . 1 1 50 50 HIS CB C 50 32.950 32.950 32.393 0.557 19533 262 1 . 1 1 50 50 HIS H H 50 8.350 8.350 8.460 -0.110 19533 263 1 . 1 1 51 51 LYS N N 51 117.460 117.460 120.344 -2.884 19533 264 1 . 1 1 51 51 LYS HA H 51 5.770 5.770 5.564 0.206 19533 265 1 . 1 1 51 51 LYS C C 51 177.900 177.900 175.434 2.466 19533 266 1 . 1 1 51 51 LYS CA C 51 55.210 55.210 55.027 0.182 19533 267 1 . 1 1 51 51 LYS CB C 51 39.360 39.360 36.257 3.103 19533 268 1 . 1 1 51 51 LYS H H 51 8.940 8.940 8.716 0.224 19533 269 1 . 1 1 52 52 ARG N N 52 120.830 120.830 120.673 0.157 19533 270 1 . 1 1 52 52 ARG HA H 52 5.240 5.240 5.117 0.123 19533 271 1 . 1 1 52 52 ARG C C 52 173.860 173.860 174.146 -0.286 19533 272 1 . 1 1 52 52 ARG CA C 52 53.070 53.070 54.824 -1.754 19533 273 1 . 1 1 52 52 ARG CB C 52 34.830 34.830 34.555 0.275 19533 274 1 . 1 1 52 52 ARG H H 52 8.990 8.990 8.671 0.319 19533 275 1 . 1 1 53 53 LEU N N 53 122.250 122.250 123.714 -1.464 19533 276 1 . 1 1 53 53 LEU HA H 53 5.440 5.440 5.439 0.001 19533 277 1 . 1 1 53 53 LEU C C 53 176.140 176.140 174.845 1.295 19533 278 1 . 1 1 53 53 LEU CA C 53 53.800 53.800 53.401 0.399 19533 279 1 . 1 1 53 53 LEU CB C 53 46.410 46.410 46.109 0.301 19533 280 1 . 1 1 53 53 LEU H H 53 8.880 8.880 9.138 -0.258 19533 281 1 . 1 1 54 54 ILE N N 54 124.790 124.790 126.153 -1.363 19533 282 1 . 1 1 54 54 ILE HA H 54 4.420 4.420 4.603 -0.183 19533 283 1 . 1 1 54 54 ILE C C 54 173.160 173.160 174.569 -1.409 19533 284 1 . 1 1 54 54 ILE CA C 54 61.420 61.420 60.235 1.185 19533 285 1 . 1 1 54 54 ILE CB C 54 43.480 43.480 40.364 3.116 19533 286 1 . 1 1 54 54 ILE H H 54 9.280 9.280 9.020 0.260 19533 287 1 . 1 1 55 55 ASP N N 55 126.260 126.260 128.043 -1.783 19533 288 1 . 1 1 55 55 ASP HA H 55 5.800 5.800 5.195 0.605 19533 289 1 . 1 1 55 55 ASP C C 55 175.300 175.300 175.305 -0.005 19533 290 1 . 1 1 55 55 ASP CA C 55 53.120 53.120 53.157 -0.037 19533 291 1 . 1 1 55 55 ASP CB C 55 43.530 43.530 42.835 0.695 19533 292 1 . 1 1 55 55 ASP H H 55 8.560 8.560 8.567 -0.007 19533 293 1 . 1 1 56 56 ILE N N 56 122.260 122.260 122.277 -0.017 19533 294 1 . 1 1 56 56 ILE HA H 56 4.620 4.620 4.655 -0.035 19533 295 1 . 1 1 56 56 ILE C C 56 174.610 174.610 175.280 -0.670 19533 296 1 . 1 1 56 56 ILE CA C 56 60.160 60.160 60.317 -0.157 19533 297 1 . 1 1 56 56 ILE CB C 56 38.520 38.520 40.623 -2.103 19533 298 1 . 1 1 56 56 ILE H H 56 9.100 9.100 8.799 0.301 19533 299 1 . 1 1 57 57 ILE N N 57 128.860 128.860 127.178 1.682 19533 300 1 . 1 1 57 57 ILE HA H 57 4.200 4.200 4.379 -0.179 19533 301 1 . 1 1 57 57 ILE C C 57 174.350 174.350 175.147 -0.797 19533 302 1 . 1 1 57 57 ILE CA C 57 60.810 60.810 60.176 0.634 19533 303 1 . 1 1 57 57 ILE CB C 57 39.300 39.300 40.755 -1.455 19533 304 1 . 1 1 57 57 ILE H H 57 8.480 8.480 9.160 -0.680 19533 305 1 . 1 1 58 58 ASP N N 58 122.140 122.140 122.926 -0.786 19533 306 1 . 1 1 58 58 ASP HA H 58 4.450 4.450 4.400 0.050 19533 307 1 . 1 1 58 58 ASP CA C 58 55.110 55.110 54.459 0.651 19533 308 1 . 1 1 58 58 ASP CB C 58 39.500 39.500 40.491 -0.991 19533 309 1 . 1 1 58 58 ASP H H 58 8.760 8.760 8.525 0.235 19533 310 1 . 1 1 59 59 PRO HA H 59 4.430 4.430 4.407 0.023 19533 311 1 . 1 1 59 59 PRO C C 59 176.690 176.690 176.169 0.521 19533 312 1 . 1 1 59 59 PRO CA C 59 62.260 62.260 62.987 -0.727 19533 313 1 . 1 1 59 59 PRO CB C 59 31.590 31.590 32.477 -0.887 19533 314 1 . 1 1 60 60 SER N N 60 117.890 117.890 117.270 0.620 19533 315 1 . 1 1 60 60 SER HA H 60 4.920 4.920 4.896 0.024 19533 316 1 . 1 1 60 60 SER CA C 60 56.020 56.020 55.496 0.524 19533 317 1 . 1 1 60 60 SER CB C 60 64.140 64.140 64.587 -0.447 19533 318 1 . 1 1 60 60 SER H H 60 8.050 8.050 7.865 0.185 19533 319 1 . 1 1 61 61 PRO HA H 61 4.240 4.240 4.372 -0.132 19533 320 1 . 1 1 61 61 PRO CA C 61 66.000 66.000 64.874 1.126 19533 321 1 . 1 1 61 61 PRO CB C 61 32.100 32.100 31.959 0.141 19533 322 1 . 1 1 62 62 LYS HA H 62 4.150 4.150 4.136 0.014 19533 323 1 . 1 1 62 62 LYS C C 62 179.040 179.040 178.677 0.363 19533 324 1 . 1 1 62 62 LYS CA C 62 58.690 58.690 59.388 -0.698 19533 325 1 . 1 1 62 62 LYS CB C 62 32.330 32.330 31.953 0.377 19533 326 1 . 1 1 63 63 THR N N 63 118.760 118.760 116.112 2.648 19533 327 1 . 1 1 63 63 THR HA H 63 3.880 3.880 4.110 -0.230 19533 328 1 . 1 1 63 63 THR C C 63 175.480 175.480 176.154 -0.674 19533 329 1 . 1 1 63 63 THR CA C 63 66.680 66.680 66.804 -0.124 19533 330 1 . 1 1 63 63 THR CB C 63 68.380 68.380 68.730 -0.350 19533 331 1 . 1 1 63 63 THR H H 63 7.940 7.940 7.464 0.476 19533 332 1 . 1 1 64 64 ILE N N 64 119.800 119.800 121.973 -2.173 19533 333 1 . 1 1 64 64 ILE HA H 64 3.460 3.460 3.643 -0.184 19533 334 1 . 1 1 64 64 ILE C C 64 176.830 176.830 177.437 -0.607 19533 335 1 . 1 1 64 64 ILE CA C 64 65.180 65.180 65.155 0.025 19533 336 1 . 1 1 64 64 ILE CB C 64 36.720 36.720 37.609 -0.889 19533 337 1 . 1 1 64 64 ILE H H 64 7.620 7.620 7.355 0.265 19533 338 1 . 1 1 65 65 ASP N N 65 118.090 118.090 119.996 -1.906 19533 339 1 . 1 1 65 65 ASP HA H 65 4.220 4.220 4.298 -0.078 19533 340 1 . 1 1 65 65 ASP C C 65 177.620 177.620 178.405 -0.785 19533 341 1 . 1 1 65 65 ASP CA C 65 57.910 57.910 57.383 0.527 19533 342 1 . 1 1 65 65 ASP CB C 65 42.150 42.150 40.215 1.935 19533 343 1 . 1 1 65 65 ASP H H 65 7.790 7.790 7.822 -0.032 19533 344 1 . 1 1 66 66 ALA N N 66 118.370 118.370 122.017 -3.647 19533 345 1 . 1 1 66 66 ALA HA H 66 3.950 3.950 4.119 -0.169 19533 346 1 . 1 1 66 66 ALA C C 66 181.140 181.140 179.684 1.456 19533 347 1 . 1 1 66 66 ALA CA C 66 54.970 54.970 54.880 0.090 19533 348 1 . 1 1 66 66 ALA CB C 66 18.670 18.670 18.512 0.158 19533 349 1 . 1 1 66 66 ALA H H 66 7.620 7.620 7.583 0.037 19533 350 1 . 1 1 67 67 LEU N N 67 118.030 118.030 119.600 -1.570 19533 351 1 . 1 1 67 67 LEU HA H 67 3.950 3.950 4.012 -0.062 19533 352 1 . 1 1 67 67 LEU C C 67 178.210 178.210 178.302 -0.092 19533 353 1 . 1 1 67 67 LEU CA C 67 57.420 57.420 57.755 -0.335 19533 354 1 . 1 1 67 67 LEU CB C 67 42.100 42.100 41.918 0.182 19533 355 1 . 1 1 67 67 LEU H H 67 8.180 8.180 7.620 0.560 19533 356 1 . 1 1 68 68 MET N N 68 114.280 114.280 115.890 -1.610 19533 357 1 . 1 1 68 68 MET HA H 68 4.260 4.260 4.156 0.104 19533 358 1 . 1 1 68 68 MET C C 68 177.050 177.050 178.494 -1.444 19533 359 1 . 1 1 68 68 MET CA C 68 56.990 56.990 58.103 -1.113 19533 360 1 . 1 1 68 68 MET CB C 68 32.390 32.390 32.627 -0.237 19533 361 1 . 1 1 68 68 MET H H 68 7.770 7.770 7.755 0.015 19533 362 1 . 1 1 69 69 ARG N N 69 115.480 115.480 117.522 -2.042 19533 363 1 . 1 1 69 69 ARG HA H 69 4.410 4.410 4.255 0.155 19533 364 1 . 1 1 69 69 ARG C C 69 176.480 176.480 177.054 -0.574 19533 365 1 . 1 1 69 69 ARG CA C 69 55.560 55.560 57.878 -2.318 19533 366 1 . 1 1 69 69 ARG CB C 69 30.970 30.970 31.082 -0.112 19533 367 1 . 1 1 69 69 ARG H H 69 7.180 7.180 7.498 -0.318 19533 368 1 . 1 1 70 70 ILE N N 70 119.930 119.930 119.713 0.217 19533 369 1 . 1 1 70 70 ILE HA H 70 3.930 3.930 4.134 -0.204 19533 370 1 . 1 1 70 70 ILE CA C 70 62.270 62.270 60.539 1.731 19533 371 1 . 1 1 70 70 ILE CB C 70 39.050 39.050 39.202 -0.152 19533 372 1 . 1 1 70 70 ILE H H 70 7.070 7.070 7.553 -0.483 19533 373 1 . 1 1 71 71 ASN HA H 71 4.860 4.860 4.871 -0.011 19533 374 1 . 1 1 71 71 ASN C C 71 174.190 174.190 175.282 -1.092 19533 375 1 . 1 1 71 71 ASN CA C 71 52.330 52.330 51.977 0.353 19533 376 1 . 1 1 71 71 ASN CB C 71 39.180 39.180 39.723 -0.543 19533 377 1 . 1 1 72 72 LEU N N 72 125.700 125.700 123.362 2.338 19533 378 1 . 1 1 72 72 LEU HA H 72 4.610 4.610 4.436 0.174 19533 379 1 . 1 1 72 72 LEU CA C 72 52.410 52.410 53.700 -1.290 19533 380 1 . 1 1 72 72 LEU CB C 72 41.670 41.670 41.417 0.253 19533 381 1 . 1 1 72 72 LEU H H 72 8.440 8.440 8.306 0.134 19533 382 1 . 1 1 73 73 PRO HA H 73 4.420 4.420 4.452 -0.032 19533 383 1 . 1 1 73 73 PRO C C 73 176.110 176.110 176.268 -0.158 19533 384 1 . 1 1 73 73 PRO CA C 73 62.240 62.240 62.400 -0.160 19533 385 1 . 1 1 73 73 PRO CB C 73 32.450 32.450 32.411 0.039 19533 386 1 . 1 1 74 74 ALA N N 74 123.290 123.290 123.770 -0.480 19533 387 1 . 1 1 74 74 ALA HA H 74 4.170 4.170 4.130 0.040 19533 388 1 . 1 1 74 74 ALA C C 74 178.430 178.430 178.667 -0.237 19533 389 1 . 1 1 74 74 ALA CA C 74 53.550 53.550 53.100 0.450 19533 390 1 . 1 1 74 74 ALA CB C 74 18.300 18.300 18.904 -0.604 19533 391 1 . 1 1 74 74 ALA H H 74 8.160 8.160 8.234 -0.074 19533 392 1 . 1 1 75 75 GLY N N 75 106.750 106.750 108.990 -2.240 19533 393 1 . 1 1 75 75 GLY C C 75 174.140 174.140 173.333 0.807 19533 394 1 . 1 1 75 75 GLY CA C 75 45.020 45.020 45.163 -0.143 19533 395 1 . 1 1 75 75 GLY H H 75 8.420 8.420 8.611 -0.191 19533 396 1 . 1 1 76 76 VAL N N 76 120.550 120.550 118.942 1.608 19533 397 1 . 1 1 76 76 VAL HA H 76 4.660 4.660 4.948 -0.288 19533 398 1 . 1 1 76 76 VAL C C 76 174.120 174.120 174.397 -0.277 19533 399 1 . 1 1 76 76 VAL CA C 76 61.070 61.070 60.496 0.574 19533 400 1 . 1 1 76 76 VAL CB C 76 32.960 32.960 34.757 -1.797 19533 401 1 . 1 1 76 76 VAL H H 76 7.460 7.460 7.371 0.089 19533 402 1 . 1 1 77 77 ASP N N 77 128.070 128.070 124.781 3.289 19533 403 1 . 1 1 77 77 ASP HA H 77 4.970 4.970 4.958 0.012 19533 404 1 . 1 1 77 77 ASP C C 77 175.020 175.020 174.478 0.542 19533 405 1 . 1 1 77 77 ASP CA C 77 53.550 53.550 52.501 1.049 19533 406 1 . 1 1 77 77 ASP CB C 77 43.840 43.840 44.277 -0.437 19533 407 1 . 1 1 77 77 ASP H H 77 8.950 8.950 8.625 0.325 19533 408 1 . 1 1 78 78 VAL N N 78 122.000 122.000 119.421 2.579 19533 409 1 . 1 1 78 78 VAL HA H 78 4.850 4.850 4.977 -0.127 19533 410 1 . 1 1 78 78 VAL C C 78 174.280 174.280 174.856 -0.576 19533 411 1 . 1 1 78 78 VAL CA C 78 60.720 60.720 60.182 0.538 19533 412 1 . 1 1 78 78 VAL CB C 78 34.600 34.600 35.121 -0.521 19533 413 1 . 1 1 78 78 VAL H H 78 8.460 8.460 8.322 0.138 19533 414 1 . 1 1 79 79 GLU N N 79 127.380 127.380 125.531 1.849 19533 415 1 . 1 1 79 79 GLU CA C 79 54.800 54.800 55.173 -0.373 19533 416 1 . 1 1 79 79 GLU CB C 79 33.610 33.610 31.672 1.938 19533 417 1 . 1 1 79 79 GLU H H 79 8.820 8.820 8.378 0.443 19533 stop_ save_