data_25484 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25484 _Entry.PDB_ID 2MZD 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 25484 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 THR HA H 2 4.415 4.415 4.305 0.110 25484 2 1 1 . 1 1 2 2 THR C C 2 174.580 174.580 174.777 -0.197 25484 3 1 1 . 1 1 2 2 THR CA C 2 62.450 62.450 62.975 -0.525 25484 4 1 1 . 1 1 2 2 THR CB C 2 70.050 70.050 69.311 0.739 25484 5 1 1 . 1 1 3 3 GLN N N 3 123.423 123.423 119.830 3.593 25484 6 1 1 . 1 1 3 3 GLN HA H 3 4.480 4.480 4.628 -0.148 25484 7 1 1 . 1 1 3 3 GLN C C 3 176.040 176.040 175.133 0.907 25484 8 1 1 . 1 1 3 3 GLN CA C 3 55.950 55.950 55.218 0.732 25484 9 1 1 . 1 1 3 3 GLN CB C 3 30.550 30.550 32.011 -1.461 25484 10 1 1 . 1 1 3 3 GLN H H 3 8.536 8.536 8.007 0.529 25484 11 1 1 . 1 1 4 4 SER N N 4 119.390 119.390 119.041 0.349 25484 12 1 1 . 1 1 4 4 SER HA H 4 4.834 4.834 4.808 0.026 25484 13 1 1 . 1 1 4 4 SER C C 4 173.640 173.640 173.814 -0.174 25484 14 1 1 . 1 1 4 4 SER CA C 4 56.250 56.250 58.898 -2.648 25484 15 1 1 . 1 1 4 4 SER CB C 4 63.400 63.400 62.339 1.061 25484 16 1 1 . 1 1 4 4 SER H H 4 8.150 8.150 8.875 -0.725 25484 17 1 1 . 1 1 5 5 PRO HA H 5 4.480 4.480 4.575 -0.095 25484 18 1 1 . 1 1 5 5 PRO C C 5 178.180 178.180 176.344 1.836 25484 19 1 1 . 1 1 5 5 PRO CA C 5 64.040 64.040 63.151 0.889 25484 20 1 1 . 1 1 5 5 PRO CB C 5 32.120 32.120 32.272 -0.152 25484 21 1 1 . 1 1 6 6 GLY N N 6 108.600 108.600 106.575 2.025 25484 22 1 1 . 1 1 6 6 GLY C C 6 174.930 174.930 174.481 0.449 25484 23 1 1 . 1 1 6 6 GLY CA C 6 45.750 45.750 44.627 1.123 25484 24 1 1 . 1 1 6 6 GLY H H 6 8.470 8.470 7.640 0.830 25484 25 1 1 . 1 1 7 7 ASP N N 7 121.260 121.260 123.795 -2.535 25484 26 1 1 . 1 1 7 7 ASP HA H 7 4.660 4.660 4.354 0.306 25484 27 1 1 . 1 1 7 7 ASP C C 7 177.580 177.580 177.099 0.481 25484 28 1 1 . 1 1 7 7 ASP CA C 7 55.200 55.200 58.169 -2.969 25484 29 1 1 . 1 1 7 7 ASP CB C 7 41.400 41.400 41.344 0.056 25484 30 1 1 . 1 1 7 7 ASP H H 7 8.130 8.130 8.665 -0.535 25484 31 1 1 . 1 1 8 8 SER N N 8 116.818 116.818 114.939 1.879 25484 32 1 1 . 1 1 8 8 SER HA H 8 4.340 4.340 4.236 0.104 25484 33 1 1 . 1 1 8 8 SER C C 8 176.310 176.310 176.546 -0.236 25484 34 1 1 . 1 1 8 8 SER CA C 8 60.050 60.050 61.326 -1.276 25484 35 1 1 . 1 1 8 8 SER CB C 8 63.190 63.190 62.840 0.350 25484 36 1 1 . 1 1 8 8 SER H H 8 8.372 8.372 8.492 -0.120 25484 37 1 1 . 1 1 9 9 ARG N N 9 123.150 123.150 122.703 0.447 25484 38 1 1 . 1 1 9 9 ARG HA H 9 4.260 4.260 4.086 0.174 25484 39 1 1 . 1 1 9 9 ARG C C 9 177.710 177.710 178.079 -0.369 25484 40 1 1 . 1 1 9 9 ARG CA C 9 58.050 58.050 58.469 -0.419 25484 41 1 1 . 1 1 9 9 ARG CB C 9 30.350 30.350 29.973 0.378 25484 42 1 1 . 1 1 9 9 ARG H H 9 8.308 8.308 7.531 0.777 25484 43 1 1 . 1 1 10 10 ARG N N 10 119.940 119.940 119.634 0.306 25484 44 1 1 . 1 1 10 10 ARG HA H 10 4.110 4.110 4.044 0.066 25484 45 1 1 . 1 1 10 10 ARG C C 10 178.180 178.180 178.690 -0.510 25484 46 1 1 . 1 1 10 10 ARG CA C 10 58.420 58.420 59.710 -1.290 25484 47 1 1 . 1 1 10 10 ARG CB C 10 30.260 30.260 30.087 0.173 25484 48 1 1 . 1 1 10 10 ARG H H 10 8.075 8.075 8.174 -0.099 25484 49 1 1 . 1 1 11 11 LEU N N 11 121.060 121.060 118.500 2.560 25484 50 1 1 . 1 1 11 11 LEU HA H 11 4.225 4.225 4.372 -0.147 25484 51 1 1 . 1 1 11 11 LEU C C 11 179.950 179.950 179.452 0.498 25484 52 1 1 . 1 1 11 11 LEU CA C 11 57.450 57.450 58.042 -0.592 25484 53 1 1 . 1 1 11 11 LEU CB C 11 41.910 41.910 41.656 0.254 25484 54 1 1 . 1 1 11 11 LEU H H 11 8.160 8.160 8.561 -0.401 25484 55 1 1 . 1 1 12 12 SER N N 12 116.470 116.470 115.772 0.698 25484 56 1 1 . 1 1 12 12 SER HA H 12 4.317 4.317 4.251 0.066 25484 57 1 1 . 1 1 12 12 SER C C 12 176.960 176.960 176.874 0.086 25484 58 1 1 . 1 1 12 12 SER CA C 12 60.760 60.760 61.892 -1.132 25484 59 1 1 . 1 1 12 12 SER CB C 12 63.350 63.350 63.007 0.343 25484 60 1 1 . 1 1 12 12 SER H H 12 8.179 8.179 7.623 0.556 25484 61 1 1 . 1 1 13 13 ILE N N 13 123.740 123.740 121.795 1.945 25484 62 1 1 . 1 1 13 13 ILE HA H 13 3.690 3.690 3.691 -0.001 25484 63 1 1 . 1 1 13 13 ILE C C 13 177.660 177.660 177.488 0.172 25484 64 1 1 . 1 1 13 13 ILE CA C 13 64.930 64.930 64.638 0.292 25484 65 1 1 . 1 1 13 13 ILE CB C 13 37.650 37.650 37.058 0.592 25484 66 1 1 . 1 1 13 13 ILE H H 13 8.130 8.130 8.275 -0.145 25484 67 1 1 . 1 1 14 14 GLN N N 14 119.220 119.220 121.117 -1.897 25484 68 1 1 . 1 1 14 14 GLN HA H 14 4.040 4.040 3.820 0.220 25484 69 1 1 . 1 1 14 14 GLN C C 14 179.490 179.490 178.205 1.285 25484 70 1 1 . 1 1 14 14 GLN CA C 14 59.750 59.750 60.134 -0.384 25484 71 1 1 . 1 1 14 14 GLN CB C 14 27.730 27.730 28.581 -0.851 25484 72 1 1 . 1 1 14 14 GLN H H 14 8.113 8.113 9.093 -0.980 25484 73 1 1 . 1 1 15 15 ARG N N 15 119.160 119.160 118.469 0.691 25484 74 1 1 . 1 1 15 15 ARG HA H 15 4.150 4.150 4.075 0.075 25484 75 1 1 . 1 1 15 15 ARG C C 15 179.460 179.460 178.342 1.118 25484 76 1 1 . 1 1 15 15 ARG CA C 15 59.150 59.150 59.090 0.060 25484 77 1 1 . 1 1 15 15 ARG CB C 15 30.090 30.090 30.024 0.066 25484 78 1 1 . 1 1 15 15 ARG H H 15 8.200 8.200 7.807 0.393 25484 79 1 1 . 1 1 16 16 ALA N N 16 124.140 124.140 124.320 -0.180 25484 80 1 1 . 1 1 16 16 ALA HA H 16 3.990 3.990 4.150 -0.160 25484 81 1 1 . 1 1 16 16 ALA C C 16 180.230 180.230 179.794 0.436 25484 82 1 1 . 1 1 16 16 ALA CA C 16 55.550 55.550 54.947 0.603 25484 83 1 1 . 1 1 16 16 ALA CB C 16 18.750 18.750 18.510 0.240 25484 84 1 1 . 1 1 16 16 ALA H H 16 8.071 8.071 7.606 0.465 25484 85 1 1 . 1 1 17 17 ILE N N 17 118.180 118.180 119.773 -1.593 25484 86 1 1 . 1 1 17 17 ILE HA H 17 3.712 3.712 3.436 0.276 25484 87 1 1 . 1 1 17 17 ILE C C 17 178.210 178.210 177.954 0.256 25484 88 1 1 . 1 1 17 17 ILE CA C 17 64.870 64.870 66.066 -1.196 25484 89 1 1 . 1 1 17 17 ILE CB C 17 37.640 37.640 37.835 -0.195 25484 90 1 1 . 1 1 17 17 ILE H H 17 8.534 8.534 8.851 -0.317 25484 91 1 1 . 1 1 18 18 GLN N N 18 118.960 118.960 119.030 -0.070 25484 92 1 1 . 1 1 18 18 GLN HA H 18 4.134 4.134 3.911 0.223 25484 93 1 1 . 1 1 18 18 GLN C C 18 180.050 180.050 178.971 1.079 25484 94 1 1 . 1 1 18 18 GLN CA C 18 59.340 59.340 59.471 -0.131 25484 95 1 1 . 1 1 18 18 GLN CB C 18 28.030 28.030 28.454 -0.424 25484 96 1 1 . 1 1 18 18 GLN H H 18 8.200 8.200 8.758 -0.558 25484 97 1 1 . 1 1 19 19 SER N N 19 116.320 116.320 116.394 -0.074 25484 98 1 1 . 1 1 19 19 SER HA H 19 4.388 4.388 4.166 0.222 25484 99 1 1 . 1 1 19 19 SER C C 19 176.460 176.460 176.289 0.171 25484 100 1 1 . 1 1 19 19 SER CA C 19 62.250 62.250 62.466 -0.216 25484 101 1 1 . 1 1 19 19 SER CB C 19 63.270 63.270 63.134 0.136 25484 102 1 1 . 1 1 19 19 SER H H 19 8.190 8.190 8.424 -0.234 25484 103 1 1 . 1 1 20 20 LEU N N 20 125.540 125.540 124.262 1.278 25484 104 1 1 . 1 1 20 20 LEU HA H 20 4.075 4.075 3.965 0.110 25484 105 1 1 . 1 1 20 20 LEU C C 20 177.640 177.640 178.387 -0.747 25484 106 1 1 . 1 1 20 20 LEU CA C 20 58.750 58.750 58.355 0.395 25484 107 1 1 . 1 1 20 20 LEU CB C 20 42.390 42.390 41.865 0.525 25484 108 1 1 . 1 1 20 20 LEU H H 20 8.290 8.290 8.249 0.041 25484 109 1 1 . 1 1 21 21 VAL N N 21 118.690 118.690 118.363 0.327 25484 110 1 1 . 1 1 21 21 VAL HA H 21 3.356 3.356 3.465 -0.109 25484 111 1 1 . 1 1 21 21 VAL C C 21 178.770 178.770 177.840 0.930 25484 112 1 1 . 1 1 21 21 VAL CA C 21 66.850 66.850 67.529 -0.679 25484 113 1 1 . 1 1 21 21 VAL CB C 21 31.450 31.450 31.109 0.341 25484 114 1 1 . 1 1 21 21 VAL H H 21 8.532 8.532 8.924 -0.392 25484 115 1 1 . 1 1 22 22 HIS N N 22 116.230 116.230 120.071 -3.841 25484 116 1 1 . 1 1 22 22 HIS HA H 22 4.230 4.230 4.208 0.022 25484 117 1 1 . 1 1 22 22 HIS C C 22 178.420 178.420 177.000 1.420 25484 118 1 1 . 1 1 22 22 HIS CA C 22 59.980 59.980 60.254 -0.274 25484 119 1 1 . 1 1 22 22 HIS CB C 22 27.830 27.830 29.930 -2.100 25484 120 1 1 . 1 1 22 22 HIS H H 22 7.980 7.980 8.009 -0.029 25484 121 1 1 . 1 1 23 23 ALA N N 23 121.520 121.520 120.365 1.155 25484 122 1 1 . 1 1 23 23 ALA HA H 23 4.225 4.225 4.105 0.120 25484 123 1 1 . 1 1 23 23 ALA C C 23 179.540 179.540 178.462 1.078 25484 124 1 1 . 1 1 23 23 ALA CA C 23 55.250 55.250 54.649 0.601 25484 125 1 1 . 1 1 23 23 ALA CB C 23 19.550 19.550 18.596 0.954 25484 126 1 1 . 1 1 23 23 ALA H H 23 8.640 8.640 8.408 0.232 25484 127 1 1 . 1 1 24 24 ALA N N 24 116.860 116.860 119.805 -2.945 25484 128 1 1 . 1 1 24 24 ALA HA H 24 4.100 4.100 4.078 0.022 25484 129 1 1 . 1 1 24 24 ALA C C 24 178.130 178.130 179.718 -1.588 25484 130 1 1 . 1 1 24 24 ALA CA C 24 54.090 54.090 54.285 -0.195 25484 131 1 1 . 1 1 24 24 ALA CB C 24 18.750 18.750 18.812 -0.062 25484 132 1 1 . 1 1 24 24 ALA H H 24 8.260 8.260 7.764 0.496 25484 133 1 1 . 1 1 25 25 GLN N N 25 112.450 112.450 118.034 -5.584 25484 134 1 1 . 1 1 25 25 GLN HA H 25 4.495 4.495 4.169 0.326 25484 135 1 1 . 1 1 25 25 GLN C C 25 174.940 174.940 176.479 -1.539 25484 136 1 1 . 1 1 25 25 GLN CA C 25 54.650 54.650 56.888 -2.238 25484 137 1 1 . 1 1 25 25 GLN CB C 25 30.650 30.650 30.233 0.416 25484 138 1 1 . 1 1 25 25 GLN H H 25 7.260 7.260 8.157 -0.897 25484 139 1 1 . 1 1 26 26 CYS N N 26 124.510 124.510 120.310 4.200 25484 140 1 1 . 1 1 26 26 CYS HA H 26 3.915 3.915 4.262 -0.347 25484 141 1 1 . 1 1 26 26 CYS C C 26 176.690 176.690 173.851 2.839 25484 142 1 1 . 1 1 26 26 CYS CA C 26 60.980 60.980 58.832 2.148 25484 143 1 1 . 1 1 26 26 CYS CB C 26 29.350 29.350 28.394 0.956 25484 144 1 1 . 1 1 26 26 CYS H H 26 7.365 7.365 8.283 -0.918 25484 145 1 1 . 1 1 27 27 ARG N N 27 129.870 129.870 127.538 2.332 25484 146 1 1 . 1 1 27 27 ARG HA H 27 4.635 4.635 4.543 0.092 25484 147 1 1 . 1 1 27 27 ARG C C 27 175.660 175.660 174.623 1.037 25484 148 1 1 . 1 1 27 27 ARG CA C 27 54.550 54.550 54.754 -0.204 25484 149 1 1 . 1 1 27 27 ARG CB C 27 30.350 30.350 29.015 1.335 25484 150 1 1 . 1 1 27 27 ARG H H 27 8.880 8.880 8.535 0.345 25484 151 1 1 . 1 1 28 28 ASN N N 28 120.810 120.810 122.171 -1.361 25484 152 1 1 . 1 1 28 28 ASN HA H 28 4.870 4.870 4.825 0.045 25484 153 1 1 . 1 1 28 28 ASN C C 28 176.120 176.120 175.150 0.970 25484 154 1 1 . 1 1 28 28 ASN CA C 28 51.930 51.930 53.207 -1.277 25484 155 1 1 . 1 1 28 28 ASN CB C 28 39.060 39.060 40.022 -0.962 25484 156 1 1 . 1 1 28 28 ASN H H 28 7.980 7.980 8.125 -0.145 25484 157 1 1 . 1 1 29 29 ALA N N 29 130.470 130.470 126.313 4.157 25484 158 1 1 . 1 1 29 29 ALA HA H 29 4.133 4.133 4.178 -0.045 25484 159 1 1 . 1 1 29 29 ALA C C 29 178.380 178.380 177.025 1.355 25484 160 1 1 . 1 1 29 29 ALA CA C 29 54.290 54.290 54.121 0.169 25484 161 1 1 . 1 1 29 29 ALA CB C 29 18.370 18.370 19.198 -0.828 25484 162 1 1 . 1 1 29 29 ALA H H 29 9.134 9.134 8.514 0.620 25484 163 1 1 . 1 1 30 30 ASN N N 30 114.590 114.590 113.993 0.597 25484 164 1 1 . 1 1 30 30 ASN HA H 30 4.875 4.875 4.953 -0.078 25484 165 1 1 . 1 1 30 30 ASN C C 30 174.530 174.530 173.930 0.600 25484 166 1 1 . 1 1 30 30 ASN CA C 30 51.930 51.930 51.152 0.778 25484 167 1 1 . 1 1 30 30 ASN CB C 30 38.910 38.910 38.510 0.400 25484 168 1 1 . 1 1 30 30 ASN H H 30 8.114 8.114 7.940 0.174 25484 169 1 1 . 1 1 31 31 CYS N N 31 123.270 123.270 121.091 2.179 25484 170 1 1 . 1 1 31 31 CYS HA H 31 4.050 4.050 4.308 -0.258 25484 171 1 1 . 1 1 31 31 CYS C C 31 177.170 177.170 174.637 2.533 25484 172 1 1 . 1 1 31 31 CYS CA C 31 61.880 61.880 59.295 2.585 25484 173 1 1 . 1 1 31 31 CYS CB C 31 30.010 30.010 28.878 1.132 25484 174 1 1 . 1 1 31 31 CYS H H 31 7.210 7.210 7.679 -0.469 25484 175 1 1 . 1 1 32 32 SER N N 32 124.300 124.300 124.213 0.087 25484 176 1 1 . 1 1 32 32 SER HA H 32 4.609 4.609 4.608 0.001 25484 177 1 1 . 1 1 32 32 SER C C 32 175.020 175.020 173.305 1.715 25484 178 1 1 . 1 1 32 32 SER CA C 32 58.010 58.010 57.212 0.797 25484 179 1 1 . 1 1 32 32 SER CB C 32 64.120 64.120 62.856 1.264 25484 180 1 1 . 1 1 32 32 SER H H 32 8.767 8.767 8.459 0.308 25484 181 1 1 . 1 1 33 33 LEU N N 33 128.860 128.860 127.118 1.742 25484 182 1 1 . 1 1 33 33 LEU HA H 33 4.538 4.538 4.915 -0.377 25484 183 1 1 . 1 1 33 33 LEU C C 33 177.230 177.230 174.667 2.563 25484 184 1 1 . 1 1 33 33 LEU CA C 33 54.450 54.450 51.485 2.965 25484 185 1 1 . 1 1 33 33 LEU CB C 33 40.970 40.970 42.669 -1.699 25484 186 1 1 . 1 1 33 33 LEU H H 33 8.546 8.546 7.688 0.858 25484 187 1 1 . 1 1 34 34 PRO HA H 34 4.370 4.370 4.476 -0.106 25484 188 1 1 . 1 1 34 34 PRO C C 34 178.640 178.640 178.675 -0.035 25484 189 1 1 . 1 1 34 34 PRO CA C 34 65.530 65.530 65.718 -0.188 25484 190 1 1 . 1 1 34 34 PRO CB C 34 31.970 31.970 31.927 0.043 25484 191 1 1 . 1 1 35 35 SER N N 35 111.940 111.940 113.639 -1.699 25484 192 1 1 . 1 1 35 35 SER HA H 35 4.127 4.127 4.359 -0.232 25484 193 1 1 . 1 1 35 35 SER C C 35 174.750 174.750 176.245 -1.495 25484 194 1 1 . 1 1 35 35 SER CA C 35 60.100 60.100 61.291 -1.191 25484 195 1 1 . 1 1 35 35 SER CB C 35 62.910 62.910 62.831 0.079 25484 196 1 1 . 1 1 35 35 SER H H 35 8.350 8.350 8.610 -0.260 25484 197 1 1 . 1 1 36 36 CYS N N 36 125.790 125.790 122.002 3.788 25484 198 1 1 . 1 1 36 36 CYS HA H 36 4.215 4.215 4.186 0.029 25484 199 1 1 . 1 1 36 36 CYS C C 36 177.070 177.070 176.282 0.788 25484 200 1 1 . 1 1 36 36 CYS CA C 36 63.900 63.900 62.209 1.691 25484 201 1 1 . 1 1 36 36 CYS CB C 36 29.650 29.650 27.060 2.590 25484 202 1 1 . 1 1 36 36 CYS H H 36 7.490 7.490 8.213 -0.723 25484 203 1 1 . 1 1 37 37 GLN N N 37 115.860 115.860 119.488 -3.628 25484 204 1 1 . 1 1 37 37 GLN HA H 37 4.010 4.010 3.861 0.149 25484 205 1 1 . 1 1 37 37 GLN C C 37 179.690 179.690 178.214 1.476 25484 206 1 1 . 1 1 37 37 GLN CA C 37 59.980 59.980 59.246 0.734 25484 207 1 1 . 1 1 37 37 GLN CB C 37 27.820 27.820 28.215 -0.395 25484 208 1 1 . 1 1 37 37 GLN H H 37 8.170 8.170 8.588 -0.418 25484 209 1 1 . 1 1 38 38 LYS N N 38 117.470 117.470 119.918 -2.448 25484 210 1 1 . 1 1 38 38 LYS HA H 38 4.060 4.060 4.007 0.053 25484 211 1 1 . 1 1 38 38 LYS C C 38 179.230 179.230 179.325 -0.095 25484 212 1 1 . 1 1 38 38 LYS CA C 38 59.450 59.450 59.322 0.128 25484 213 1 1 . 1 1 38 38 LYS CB C 38 32.650 32.650 32.208 0.442 25484 214 1 1 . 1 1 38 38 LYS H H 38 7.920 7.920 7.992 -0.072 25484 215 1 1 . 1 1 39 39 MET N N 39 118.050 118.050 117.885 0.165 25484 216 1 1 . 1 1 39 39 MET HA H 39 4.559 4.559 4.153 0.406 25484 217 1 1 . 1 1 39 39 MET C C 39 179.720 179.720 178.411 1.309 25484 218 1 1 . 1 1 39 39 MET CA C 39 57.250 57.250 58.358 -1.108 25484 219 1 1 . 1 1 39 39 MET CB C 39 32.550 32.550 32.091 0.459 25484 220 1 1 . 1 1 39 39 MET H H 39 8.370 8.370 7.754 0.616 25484 221 1 1 . 1 1 40 40 LYS N N 40 121.630 121.630 120.667 0.963 25484 222 1 1 . 1 1 40 40 LYS HA H 40 3.840 3.840 4.072 -0.232 25484 223 1 1 . 1 1 40 40 LYS C C 40 180.150 180.150 179.168 0.982 25484 224 1 1 . 1 1 40 40 LYS CA C 40 61.520 61.520 60.193 1.327 25484 225 1 1 . 1 1 40 40 LYS CB C 40 32.620 32.620 32.315 0.305 25484 226 1 1 . 1 1 40 40 LYS H H 40 9.490 9.490 8.096 1.394 25484 227 1 1 . 1 1 41 41 ARG N N 41 118.300 118.300 118.279 0.021 25484 228 1 1 . 1 1 41 41 ARG HA H 41 4.180 4.180 4.127 0.053 25484 229 1 1 . 1 1 41 41 ARG C C 41 180.080 180.080 178.443 1.637 25484 230 1 1 . 1 1 41 41 ARG CA C 41 59.750 59.750 58.851 0.899 25484 231 1 1 . 1 1 41 41 ARG CB C 41 30.010 30.010 30.108 -0.098 25484 232 1 1 . 1 1 41 41 ARG H H 41 7.610 7.610 8.242 -0.632 25484 233 1 1 . 1 1 42 42 VAL N N 42 121.750 121.750 119.929 1.821 25484 234 1 1 . 1 1 42 42 VAL HA H 42 3.745 3.745 3.984 -0.239 25484 235 1 1 . 1 1 42 42 VAL C C 42 178.130 178.130 177.452 0.678 25484 236 1 1 . 1 1 42 42 VAL CA C 42 66.760 66.760 64.257 2.503 25484 237 1 1 . 1 1 42 42 VAL CB C 42 31.520 31.520 32.279 -0.759 25484 238 1 1 . 1 1 42 42 VAL H H 42 7.760 7.760 7.787 -0.027 25484 239 1 1 . 1 1 43 43 VAL N N 43 120.580 120.580 121.848 -1.268 25484 240 1 1 . 1 1 43 43 VAL HA H 43 3.531 3.531 3.573 -0.042 25484 241 1 1 . 1 1 43 43 VAL C C 43 179.310 179.310 178.367 0.943 25484 242 1 1 . 1 1 43 43 VAL CA C 43 67.120 67.120 67.384 -0.264 25484 243 1 1 . 1 1 43 43 VAL CB C 43 31.510 31.510 30.944 0.566 25484 244 1 1 . 1 1 43 43 VAL H H 43 8.500 8.500 8.569 -0.069 25484 245 1 1 . 1 1 44 44 GLN N N 44 119.280 119.280 116.099 3.181 25484 246 1 1 . 1 1 44 44 GLN HA H 44 4.010 4.010 4.092 -0.082 25484 247 1 1 . 1 1 44 44 GLN C C 44 179.330 179.330 178.702 0.628 25484 248 1 1 . 1 1 44 44 GLN CA C 44 59.060 59.060 58.644 0.416 25484 249 1 1 . 1 1 44 44 GLN CB C 44 28.030 28.030 28.247 -0.216 25484 250 1 1 . 1 1 44 44 GLN H H 44 8.400 8.400 8.740 -0.340 25484 251 1 1 . 1 1 45 45 HIS N N 45 119.160 119.160 120.176 -1.016 25484 252 1 1 . 1 1 45 45 HIS HA H 45 4.283 4.283 4.370 -0.087 25484 253 1 1 . 1 1 45 45 HIS C C 45 178.250 178.250 177.436 0.814 25484 254 1 1 . 1 1 45 45 HIS CA C 45 59.950 59.950 60.079 -0.129 25484 255 1 1 . 1 1 45 45 HIS CB C 45 27.150 27.150 30.137 -2.987 25484 256 1 1 . 1 1 45 45 HIS H H 45 8.190 8.190 7.435 0.755 25484 257 1 1 . 1 1 46 46 THR N N 46 111.110 111.110 116.719 -5.609 25484 258 1 1 . 1 1 46 46 THR HA H 46 3.859 3.859 4.034 -0.175 25484 259 1 1 . 1 1 46 46 THR C C 46 176.350 176.350 177.221 -0.871 25484 260 1 1 . 1 1 46 46 THR CA C 46 65.670 65.670 66.599 -0.929 25484 261 1 1 . 1 1 46 46 THR CB C 46 69.190 69.190 68.958 0.232 25484 262 1 1 . 1 1 46 46 THR H H 46 7.980 7.980 8.400 -0.420 25484 263 1 1 . 1 1 47 47 LYS N N 47 120.510 120.510 119.325 1.185 25484 264 1 1 . 1 1 47 47 LYS HA H 47 4.090 4.090 4.315 -0.225 25484 265 1 1 . 1 1 47 47 LYS C C 47 178.150 178.150 178.947 -0.797 25484 266 1 1 . 1 1 47 47 LYS CA C 47 58.750 58.750 58.255 0.495 25484 267 1 1 . 1 1 47 47 LYS CB C 47 32.360 32.360 32.500 -0.140 25484 268 1 1 . 1 1 47 47 LYS H H 47 7.410 7.410 8.026 -0.616 25484 269 1 1 . 1 1 48 48 GLY N N 48 104.210 104.210 106.430 -2.220 25484 270 1 1 . 1 1 48 48 GLY C C 48 174.220 174.220 174.592 -0.372 25484 271 1 1 . 1 1 48 48 GLY CA C 48 44.753 44.753 45.023 -0.270 25484 272 1 1 . 1 1 48 48 GLY H H 48 7.180 7.180 7.843 -0.663 25484 273 1 1 . 1 1 49 49 CYS N N 49 123.560 123.560 119.665 3.895 25484 274 1 1 . 1 1 49 49 CYS HA H 49 4.010 4.010 4.386 -0.376 25484 275 1 1 . 1 1 49 49 CYS C C 49 177.230 177.230 173.873 3.357 25484 276 1 1 . 1 1 49 49 CYS CA C 49 61.230 61.230 59.459 1.771 25484 277 1 1 . 1 1 49 49 CYS CB C 49 29.850 29.850 29.761 0.089 25484 278 1 1 . 1 1 49 49 CYS H H 49 6.981 6.981 7.682 -0.701 25484 279 1 1 . 1 1 50 50 LYS N N 50 128.350 128.350 121.129 7.221 25484 280 1 1 . 1 1 50 50 LYS HA H 50 4.524 4.524 4.488 0.036 25484 281 1 1 . 1 1 50 50 LYS C C 50 178.040 178.040 177.688 0.352 25484 282 1 1 . 1 1 50 50 LYS CA C 50 56.750 56.750 56.392 0.358 25484 283 1 1 . 1 1 50 50 LYS CB C 50 32.950 32.950 33.075 -0.125 25484 284 1 1 . 1 1 50 50 LYS H H 50 8.999 8.999 8.634 0.365 25484 285 1 1 . 1 1 51 51 ARG N N 51 122.550 122.550 119.815 2.735 25484 286 1 1 . 1 1 51 51 ARG HA H 51 4.428 4.428 4.170 0.258 25484 287 1 1 . 1 1 51 51 ARG C C 51 177.410 177.410 177.748 -0.338 25484 288 1 1 . 1 1 51 51 ARG CA C 51 57.750 57.750 57.507 0.243 25484 289 1 1 . 1 1 51 51 ARG CB C 51 31.860 31.860 29.436 2.424 25484 290 1 1 . 1 1 51 51 ARG H H 51 8.558 8.558 8.613 -0.055 25484 291 1 1 . 1 1 52 52 LYS N N 52 119.040 119.040 119.384 -0.344 25484 292 1 1 . 1 1 52 52 LYS HA H 52 4.534 4.534 4.043 0.491 25484 293 1 1 . 1 1 52 52 LYS C C 52 177.610 177.610 178.902 -1.292 25484 294 1 1 . 1 1 52 52 LYS CA C 52 57.970 57.970 59.806 -1.836 25484 295 1 1 . 1 1 52 52 LYS CB C 52 32.350 32.350 31.691 0.659 25484 296 1 1 . 1 1 52 52 LYS H H 52 8.490 8.490 8.417 0.073 25484 297 1 1 . 1 1 53 53 THR N N 53 113.034 113.034 110.233 2.801 25484 298 1 1 . 1 1 53 53 THR HA H 53 4.160 4.160 4.237 -0.077 25484 299 1 1 . 1 1 53 53 THR C C 53 175.610 175.610 176.196 -0.586 25484 300 1 1 . 1 1 53 53 THR CA C 53 64.050 64.050 64.481 -0.431 25484 301 1 1 . 1 1 53 53 THR CB C 53 69.120 69.120 68.616 0.504 25484 302 1 1 . 1 1 53 53 THR H H 53 7.760 7.760 8.069 -0.309 25484 303 1 1 . 1 1 54 54 ASN N N 54 119.860 119.860 120.029 -0.169 25484 304 1 1 . 1 1 54 54 ASN HA H 54 4.920 4.920 4.490 0.430 25484 305 1 1 . 1 1 54 54 ASN C C 54 176.330 176.330 176.731 -0.401 25484 306 1 1 . 1 1 54 54 ASN CA C 54 53.720 53.720 55.478 -1.758 25484 307 1 1 . 1 1 54 54 ASN CB C 54 38.350 38.350 38.580 -0.230 25484 308 1 1 . 1 1 54 54 ASN H H 54 8.290 8.290 7.815 0.475 25484 309 1 1 . 1 1 55 55 GLY N N 55 107.570 107.570 104.982 2.588 25484 310 1 1 . 1 1 55 55 GLY C C 55 175.660 175.660 174.662 0.998 25484 311 1 1 . 1 1 55 55 GLY CA C 55 45.938 45.938 44.866 1.072 25484 312 1 1 . 1 1 55 55 GLY H H 55 8.006 8.006 7.496 0.510 25484 313 1 1 . 1 1 56 56 GLY N N 56 107.290 107.290 108.073 -0.783 25484 314 1 1 . 1 1 56 56 GLY C C 56 173.710 173.710 173.337 0.373 25484 315 1 1 . 1 1 56 56 GLY CA C 56 45.570 45.570 45.096 0.474 25484 316 1 1 . 1 1 56 56 GLY H H 56 7.840 7.840 8.140 -0.300 25484 317 1 1 . 1 1 57 57 CYS N N 57 122.730 122.730 121.852 0.878 25484 318 1 1 . 1 1 57 57 CYS HA H 57 4.505 4.505 4.888 -0.383 25484 319 1 1 . 1 1 57 57 CYS C C 57 175.090 175.090 173.753 1.337 25484 320 1 1 . 1 1 57 57 CYS CA C 57 55.950 55.950 55.952 -0.002 25484 321 1 1 . 1 1 57 57 CYS CB C 57 30.760 30.760 28.274 2.486 25484 322 1 1 . 1 1 57 57 CYS H H 57 8.048 8.048 8.011 0.037 25484 323 1 1 . 1 1 58 58 PRO HA H 58 4.338 4.338 4.700 -0.362 25484 324 1 1 . 1 1 58 58 PRO CA C 58 65.050 65.050 63.025 2.025 25484 325 1 1 . 1 1 58 58 PRO CB C 58 32.620 32.620 30.549 2.071 25484 326 1 1 . 1 1 59 59 ILE N N 59 121.256 121.256 122.974 -1.718 25484 327 1 1 . 1 1 59 59 ILE HA H 59 3.818 3.818 4.096 -0.278 25484 328 1 1 . 1 1 59 59 ILE C C 59 178.820 178.820 176.867 1.953 25484 329 1 1 . 1 1 59 59 ILE CA C 59 64.590 64.590 63.527 1.063 25484 330 1 1 . 1 1 59 59 ILE CB C 59 38.890 38.890 39.235 -0.345 25484 331 1 1 . 1 1 59 59 ILE H H 59 7.900 7.900 8.788 -0.888 25484 332 1 1 . 1 1 60 60 CYS N N 60 123.970 123.970 118.079 5.891 25484 333 1 1 . 1 1 60 60 CYS HA H 60 4.117 4.117 4.198 -0.081 25484 334 1 1 . 1 1 60 60 CYS C C 60 178.110 178.110 176.586 1.524 25484 335 1 1 . 1 1 60 60 CYS CA C 60 66.090 66.090 63.072 3.018 25484 336 1 1 . 1 1 60 60 CYS CB C 60 29.150 29.150 27.113 2.037 25484 337 1 1 . 1 1 60 60 CYS H H 60 8.914 8.914 8.434 0.480 25484 338 1 1 . 1 1 61 61 LYS N N 61 117.210 117.210 120.258 -3.048 25484 339 1 1 . 1 1 61 61 LYS HA H 61 3.910 3.910 4.109 -0.199 25484 340 1 1 . 1 1 61 61 LYS C C 61 179.460 179.460 178.152 1.308 25484 341 1 1 . 1 1 61 61 LYS CA C 61 59.970 59.970 59.476 0.494 25484 342 1 1 . 1 1 61 61 LYS CB C 61 32.650 32.650 32.375 0.275 25484 343 1 1 . 1 1 61 61 LYS H H 61 8.090 8.090 8.331 -0.241 25484 344 1 1 . 1 1 62 62 GLN N N 62 117.780 117.780 118.821 -1.041 25484 345 1 1 . 1 1 62 62 GLN HA H 62 4.203 4.203 4.184 0.019 25484 346 1 1 . 1 1 62 62 GLN C C 62 178.564 178.564 178.648 -0.084 25484 347 1 1 . 1 1 62 62 GLN CA C 62 58.450 58.450 58.180 0.270 25484 348 1 1 . 1 1 62 62 GLN CB C 62 29.140 29.140 28.911 0.229 25484 349 1 1 . 1 1 62 62 GLN H H 62 7.360 7.360 7.592 -0.232 25484 350 1 1 . 1 1 63 63 LEU N N 63 119.930 119.930 123.362 -3.432 25484 351 1 1 . 1 1 63 63 LEU HA H 63 4.218 4.218 4.136 0.082 25484 352 1 1 . 1 1 63 63 LEU C C 63 179.440 179.440 177.822 1.618 25484 353 1 1 . 1 1 63 63 LEU CA C 63 58.550 58.550 57.634 0.916 25484 354 1 1 . 1 1 63 63 LEU CB C 63 41.910 41.910 41.779 0.131 25484 355 1 1 . 1 1 63 63 LEU H H 63 8.075 8.075 8.710 -0.635 25484 356 1 1 . 1 1 64 64 ILE N N 64 120.280 120.280 119.899 0.381 25484 357 1 1 . 1 1 64 64 ILE HA H 64 3.600 3.600 3.646 -0.046 25484 358 1 1 . 1 1 64 64 ILE C C 64 177.950 177.950 177.778 0.172 25484 359 1 1 . 1 1 64 64 ILE CA C 64 65.250 65.250 65.612 -0.363 25484 360 1 1 . 1 1 64 64 ILE CB C 64 37.320 37.320 37.309 0.011 25484 361 1 1 . 1 1 64 64 ILE H H 64 8.466 8.466 8.680 -0.214 25484 362 1 1 . 1 1 65 65 ALA N N 65 122.590 122.590 122.357 0.233 25484 363 1 1 . 1 1 65 65 ALA HA H 65 4.185 4.185 3.800 0.385 25484 364 1 1 . 1 1 65 65 ALA C C 65 181.010 181.010 179.394 1.616 25484 365 1 1 . 1 1 65 65 ALA CA C 65 55.220 55.220 55.331 -0.111 25484 366 1 1 . 1 1 65 65 ALA CB C 65 18.450 18.450 18.176 0.274 25484 367 1 1 . 1 1 65 65 ALA H H 65 7.496 7.496 8.246 -0.750 25484 368 1 1 . 1 1 66 66 LEU N N 66 115.599 115.599 120.724 -5.125 25484 369 1 1 . 1 1 66 66 LEU HA H 66 4.100 4.100 4.049 0.051 25484 370 1 1 . 1 1 66 66 LEU C C 66 179.380 179.380 179.185 0.195 25484 371 1 1 . 1 1 66 66 LEU CA C 66 57.930 57.930 57.907 0.022 25484 372 1 1 . 1 1 66 66 LEU CB C 66 41.410 41.410 41.685 -0.275 25484 373 1 1 . 1 1 66 66 LEU H H 66 8.139 8.139 8.146 -0.007 25484 374 1 1 . 1 1 67 67 ALA N N 67 122.670 122.670 120.586 2.084 25484 375 1 1 . 1 1 67 67 ALA HA H 67 3.958 3.958 4.047 -0.089 25484 376 1 1 . 1 1 67 67 ALA C C 67 180.060 180.060 179.633 0.427 25484 377 1 1 . 1 1 67 67 ALA CA C 67 55.750 55.750 55.140 0.610 25484 378 1 1 . 1 1 67 67 ALA CB C 67 19.220 19.220 18.389 0.831 25484 379 1 1 . 1 1 67 67 ALA H H 67 8.770 8.770 8.947 -0.177 25484 380 1 1 . 1 1 68 68 ALA N N 68 120.580 120.580 122.411 -1.831 25484 381 1 1 . 1 1 68 68 ALA HA H 68 4.142 4.142 4.654 -0.512 25484 382 1 1 . 1 1 68 68 ALA C C 68 179.540 179.540 179.958 -0.418 25484 383 1 1 . 1 1 68 68 ALA CA C 68 55.450 55.450 54.596 0.854 25484 384 1 1 . 1 1 68 68 ALA CB C 68 18.220 18.220 18.762 -0.542 25484 385 1 1 . 1 1 68 68 ALA H H 68 8.604 8.604 8.529 0.075 25484 386 1 1 . 1 1 69 69 TYR HA H 69 4.345 4.345 4.228 0.117 25484 387 1 1 . 1 1 69 69 TYR CA C 69 57.750 57.750 60.400 -2.650 25484 388 1 1 . 1 1 69 69 TYR CB C 69 38.580 38.580 37.248 1.332 25484 389 1 1 . 1 1 71 71 ALA HA H 71 4.000 4.000 3.688 0.312 25484 390 1 1 . 1 1 71 71 ALA C C 71 179.540 179.540 178.754 0.786 25484 391 1 1 . 1 1 71 71 ALA CA C 71 54.850 54.850 54.892 -0.043 25484 392 1 1 . 1 1 71 71 ALA CB C 71 19.650 19.650 18.163 1.487 25484 393 1 1 . 1 1 72 72 LYS N N 72 114.680 114.680 115.387 -0.707 25484 394 1 1 . 1 1 72 72 LYS HA H 72 3.904 3.904 3.993 -0.089 25484 395 1 1 . 1 1 72 72 LYS C C 72 177.120 177.120 178.071 -0.951 25484 396 1 1 . 1 1 72 72 LYS CA C 72 58.230 58.230 59.174 -0.944 25484 397 1 1 . 1 1 72 72 LYS CB C 72 32.340 32.340 32.646 -0.306 25484 398 1 1 . 1 1 72 72 LYS H H 72 7.080 7.080 8.159 -1.079 25484 399 1 1 . 1 1 73 73 HIS N N 73 113.498 113.498 111.874 1.624 25484 400 1 1 . 1 1 73 73 HIS HA H 73 4.826 4.826 4.605 0.221 25484 401 1 1 . 1 1 73 73 HIS C C 73 173.660 173.660 175.528 -1.868 25484 402 1 1 . 1 1 73 73 HIS CA C 73 54.380 54.380 55.669 -1.289 25484 403 1 1 . 1 1 73 73 HIS CB C 73 30.350 30.350 31.153 -0.803 25484 404 1 1 . 1 1 73 73 HIS H H 73 7.250 7.250 7.641 -0.391 25484 405 1 1 . 1 1 74 74 CYS N N 74 123.830 123.830 122.635 1.195 25484 406 1 1 . 1 1 74 74 CYS HA H 74 4.150 4.150 4.258 -0.108 25484 407 1 1 . 1 1 74 74 CYS C C 74 176.480 176.480 174.149 2.331 25484 408 1 1 . 1 1 74 74 CYS CA C 74 60.250 60.250 59.603 0.647 25484 409 1 1 . 1 1 74 74 CYS CB C 74 29.930 29.930 26.670 3.260 25484 410 1 1 . 1 1 74 74 CYS H H 74 7.140 7.140 7.665 -0.525 25484 411 1 1 . 1 1 75 75 GLN N N 75 128.740 128.740 127.622 1.118 25484 412 1 1 . 1 1 75 75 GLN HA H 75 4.685 4.685 4.320 0.365 25484 413 1 1 . 1 1 75 75 GLN C C 75 176.090 176.090 175.117 0.973 25484 414 1 1 . 1 1 75 75 GLN CA C 75 54.900 54.900 55.543 -0.643 25484 415 1 1 . 1 1 75 75 GLN CB C 75 29.840 29.840 27.462 2.378 25484 416 1 1 . 1 1 75 75 GLN H H 75 9.088 9.088 8.571 0.517 25484 417 1 1 . 1 1 76 76 GLU N N 76 123.190 123.190 124.342 -1.152 25484 418 1 1 . 1 1 76 76 GLU HA H 76 4.480 4.480 4.501 -0.021 25484 419 1 1 . 1 1 76 76 GLU C C 76 177.030 177.030 174.765 2.265 25484 420 1 1 . 1 1 76 76 GLU CA C 76 56.210 56.210 55.736 0.474 25484 421 1 1 . 1 1 76 76 GLU CB C 76 30.660 30.660 32.910 -2.250 25484 422 1 1 . 1 1 76 76 GLU H H 76 8.390 8.390 7.963 0.427 25484 423 1 1 . 1 1 77 77 ASN N N 77 124.760 124.760 121.243 3.517 25484 424 1 1 . 1 1 77 77 ASN HA H 77 4.549 4.549 4.856 -0.307 25484 425 1 1 . 1 1 77 77 ASN C C 77 176.070 176.070 174.362 1.708 25484 426 1 1 . 1 1 77 77 ASN CA C 77 55.100 55.100 53.272 1.828 25484 427 1 1 . 1 1 77 77 ASN CB C 77 38.650 38.650 39.123 -0.473 25484 428 1 1 . 1 1 77 77 ASN H H 77 8.848 8.848 8.847 0.001 25484 429 1 1 . 1 1 78 78 LYS N N 78 120.810 120.810 118.792 2.018 25484 430 1 1 . 1 1 78 78 LYS HA H 78 4.460 4.460 4.385 0.075 25484 431 1 1 . 1 1 78 78 LYS C C 78 175.230 175.230 176.249 -1.019 25484 432 1 1 . 1 1 78 78 LYS CA C 78 54.920 54.920 57.699 -2.779 25484 433 1 1 . 1 1 78 78 LYS CB C 78 31.020 31.020 33.857 -2.837 25484 434 1 1 . 1 1 78 78 LYS H H 78 8.636 8.636 7.897 0.739 25484 435 1 1 . 1 1 80 80 PRO HA H 80 4.710 4.710 4.396 0.314 25484 436 1 1 . 1 1 80 80 PRO CA C 80 62.850 62.850 63.746 -0.896 25484 437 1 1 . 1 1 80 80 PRO CB C 80 32.150 32.150 32.063 0.087 25484 438 1 1 . 1 1 81 81 VAL HA H 81 3.578 3.578 4.161 -0.583 25484 439 1 1 . 1 1 81 81 VAL CA C 81 62.350 62.350 59.196 3.154 25484 440 1 1 . 1 1 81 81 VAL CB C 81 31.616 31.616 30.930 0.686 25484 441 1 1 . 1 1 82 82 PRO HA H 82 4.850 4.850 3.891 0.959 25484 442 1 1 . 1 1 82 82 PRO CA C 82 63.350 63.350 62.486 0.864 25484 443 1 1 . 1 1 82 82 PRO CB C 82 32.050 32.050 31.930 0.120 25484 444 1 1 . 1 1 83 83 PHE HA H 83 4.160 4.160 4.184 -0.024 25484 445 1 1 . 1 1 83 83 PHE CA C 83 58.950 58.950 59.222 -0.272 25484 446 1 1 . 1 1 83 83 PHE CB C 83 38.250 38.250 36.100 2.150 25484 447 1 1 . 1 1 84 84 CYS HA H 84 4.597 4.597 4.673 -0.076 25484 448 1 1 . 1 1 84 84 CYS CA C 84 56.750 56.750 56.168 0.582 25484 449 1 1 . 1 1 84 84 CYS CB C 84 30.150 30.150 30.312 -0.162 25484 450 1 1 . 1 1 85 85 LEU N N 85 119.930 119.930 120.800 -0.870 25484 451 1 1 . 1 1 85 85 LEU HA H 85 3.958 3.958 4.111 -0.153 25484 452 1 1 . 1 1 85 85 LEU CA C 85 59.350 59.350 56.909 2.441 25484 453 1 1 . 1 1 85 85 LEU CB C 85 38.180 38.180 38.883 -0.703 25484 454 1 1 . 1 1 85 85 LEU H H 85 8.220 8.220 8.394 -0.174 25484 455 1 1 . 1 1 86 86 ASN N N 86 115.750 115.750 117.201 -1.451 25484 456 1 1 . 1 1 86 86 ASN HA H 86 4.580 4.580 4.752 -0.172 25484 457 1 1 . 1 1 86 86 ASN CA C 86 51.860 51.860 54.148 -2.288 25484 458 1 1 . 1 1 86 86 ASN CB C 86 38.610 38.610 41.302 -2.692 25484 459 1 1 . 1 1 86 86 ASN H H 86 7.789 7.789 8.334 -0.545 25484 460 1 1 . 1 1 87 87 ILE N N 87 123.260 123.260 120.533 2.727 25484 461 1 1 . 1 1 87 87 ILE HA H 87 4.220 4.220 4.023 0.197 25484 462 1 1 . 1 1 87 87 ILE CA C 87 61.850 61.850 61.593 0.258 25484 463 1 1 . 1 1 87 87 ILE CB C 87 41.330 41.330 38.859 2.471 25484 464 1 1 . 1 1 87 87 ILE H H 87 7.160 7.160 8.554 -1.394 25484 465 1 1 . 1 1 88 88 LYS HA H 88 4.450 4.450 4.435 0.015 25484 466 1 1 . 1 1 88 88 LYS CA C 88 54.530 54.530 54.623 -0.093 25484 467 1 1 . 1 1 88 88 LYS CB C 88 31.450 31.450 30.091 1.359 25484 468 1 1 . 1 1 89 89 GLN HA H 89 4.450 4.450 4.514 -0.064 25484 469 1 1 . 1 1 89 89 GLN CA C 89 56.210 56.210 54.814 1.396 25484 470 1 1 . 1 1 89 89 GLN CB C 89 29.250 29.250 30.325 -1.075 25484 471 1 2 . 1 1 2 2 THR HA H 2 4.415 4.415 4.377 0.038 25484 472 1 2 . 1 1 2 2 THR C C 2 174.580 174.580 174.610 -0.030 25484 473 1 2 . 1 1 2 2 THR CA C 2 62.450 62.450 62.901 -0.451 25484 474 1 2 . 1 1 2 2 THR CB C 2 70.050 70.050 70.358 -0.308 25484 475 1 2 . 1 1 3 3 GLN N N 3 123.423 123.423 118.554 4.869 25484 476 1 2 . 1 1 3 3 GLN HA H 3 4.480 4.480 4.534 -0.054 25484 477 1 2 . 1 1 3 3 GLN C C 3 176.040 176.040 175.077 0.963 25484 478 1 2 . 1 1 3 3 GLN CA C 3 55.950 55.950 55.799 0.151 25484 479 1 2 . 1 1 3 3 GLN CB C 3 30.550 30.550 30.003 0.547 25484 480 1 2 . 1 1 3 3 GLN H H 3 8.536 8.536 8.030 0.506 25484 481 1 2 . 1 1 4 4 SER N N 4 119.390 119.390 115.283 4.107 25484 482 1 2 . 1 1 4 4 SER HA H 4 4.834 4.834 4.672 0.162 25484 483 1 2 . 1 1 4 4 SER C C 4 173.640 173.640 173.942 -0.302 25484 484 1 2 . 1 1 4 4 SER CA C 4 56.250 56.250 59.900 -3.650 25484 485 1 2 . 1 1 4 4 SER CB C 4 63.400 63.400 61.724 1.676 25484 486 1 2 . 1 1 4 4 SER H H 4 8.150 8.150 8.228 -0.078 25484 487 1 2 . 1 1 5 5 PRO HA H 5 4.480 4.480 4.441 0.039 25484 488 1 2 . 1 1 5 5 PRO C C 5 178.180 178.180 175.809 2.371 25484 489 1 2 . 1 1 5 5 PRO CA C 5 64.040 64.040 63.618 0.422 25484 490 1 2 . 1 1 5 5 PRO CB C 5 32.120 32.120 32.042 0.078 25484 491 1 2 . 1 1 6 6 GLY N N 6 108.600 108.600 104.865 3.735 25484 492 1 2 . 1 1 6 6 GLY C C 6 174.930 174.930 174.540 0.390 25484 493 1 2 . 1 1 6 6 GLY CA C 6 45.750 45.750 44.578 1.172 25484 494 1 2 . 1 1 6 6 GLY H H 6 8.470 8.470 7.761 0.709 25484 495 1 2 . 1 1 7 7 ASP N N 7 121.260 121.260 122.374 -1.114 25484 496 1 2 . 1 1 7 7 ASP HA H 7 4.660 4.660 4.332 0.328 25484 497 1 2 . 1 1 7 7 ASP C C 7 177.580 177.580 177.327 0.253 25484 498 1 2 . 1 1 7 7 ASP CA C 7 55.200 55.200 57.412 -2.212 25484 499 1 2 . 1 1 7 7 ASP CB C 7 41.400 41.400 41.236 0.164 25484 500 1 2 . 1 1 7 7 ASP H H 7 8.130 8.130 7.689 0.441 25484 501 1 2 . 1 1 8 8 SER N N 8 116.818 116.818 114.123 2.695 25484 502 1 2 . 1 1 8 8 SER HA H 8 4.340 4.340 4.261 0.079 25484 503 1 2 . 1 1 8 8 SER C C 8 176.310 176.310 176.714 -0.404 25484 504 1 2 . 1 1 8 8 SER CA C 8 60.050 60.050 61.788 -1.738 25484 505 1 2 . 1 1 8 8 SER CB C 8 63.190 63.190 62.932 0.258 25484 506 1 2 . 1 1 8 8 SER H H 8 8.372 8.372 8.634 -0.262 25484 507 1 2 . 1 1 9 9 ARG N N 9 123.150 123.150 122.342 0.808 25484 508 1 2 . 1 1 9 9 ARG HA H 9 4.260 4.260 4.106 0.154 25484 509 1 2 . 1 1 9 9 ARG C C 9 177.710 177.710 178.285 -0.575 25484 510 1 2 . 1 1 9 9 ARG CA C 9 58.050 58.050 58.648 -0.598 25484 511 1 2 . 1 1 9 9 ARG CB C 9 30.350 30.350 29.970 0.380 25484 512 1 2 . 1 1 9 9 ARG H H 9 8.308 8.308 7.527 0.781 25484 513 1 2 . 1 1 10 10 ARG N N 10 119.940 119.940 119.749 0.191 25484 514 1 2 . 1 1 10 10 ARG HA H 10 4.110 4.110 3.965 0.145 25484 515 1 2 . 1 1 10 10 ARG C C 10 178.180 178.180 178.896 -0.716 25484 516 1 2 . 1 1 10 10 ARG CA C 10 58.420 58.420 59.939 -1.519 25484 517 1 2 . 1 1 10 10 ARG CB C 10 30.260 30.260 30.140 0.120 25484 518 1 2 . 1 1 10 10 ARG H H 10 8.075 8.075 7.942 0.133 25484 519 1 2 . 1 1 11 11 LEU N N 11 121.060 121.060 119.054 2.006 25484 520 1 2 . 1 1 11 11 LEU HA H 11 4.225 4.225 4.089 0.136 25484 521 1 2 . 1 1 11 11 LEU C C 11 179.950 179.950 178.648 1.302 25484 522 1 2 . 1 1 11 11 LEU CA C 11 57.450 57.450 58.611 -1.161 25484 523 1 2 . 1 1 11 11 LEU CB C 11 41.910 41.910 41.309 0.601 25484 524 1 2 . 1 1 11 11 LEU H H 11 8.160 8.160 8.950 -0.790 25484 525 1 2 . 1 1 12 12 SER N N 12 116.470 116.470 115.490 0.980 25484 526 1 2 . 1 1 12 12 SER HA H 12 4.317 4.317 4.240 0.077 25484 527 1 2 . 1 1 12 12 SER C C 12 176.960 176.960 176.834 0.126 25484 528 1 2 . 1 1 12 12 SER CA C 12 60.760 60.760 61.873 -1.113 25484 529 1 2 . 1 1 12 12 SER CB C 12 63.350 63.350 62.863 0.487 25484 530 1 2 . 1 1 12 12 SER H H 12 8.179 8.179 7.658 0.521 25484 531 1 2 . 1 1 13 13 ILE N N 13 123.740 123.740 120.280 3.460 25484 532 1 2 . 1 1 13 13 ILE HA H 13 3.690 3.690 3.860 -0.170 25484 533 1 2 . 1 1 13 13 ILE C C 13 177.660 177.660 177.474 0.186 25484 534 1 2 . 1 1 13 13 ILE CA C 13 64.930 64.930 63.970 0.960 25484 535 1 2 . 1 1 13 13 ILE CB C 13 37.650 37.650 37.147 0.503 25484 536 1 2 . 1 1 13 13 ILE H H 13 8.130 8.130 7.614 0.516 25484 537 1 2 . 1 1 14 14 GLN N N 14 119.220 119.220 121.984 -2.764 25484 538 1 2 . 1 1 14 14 GLN HA H 14 4.040 4.040 3.942 0.098 25484 539 1 2 . 1 1 14 14 GLN C C 14 179.490 179.490 178.480 1.010 25484 540 1 2 . 1 1 14 14 GLN CA C 14 59.750 59.750 60.007 -0.257 25484 541 1 2 . 1 1 14 14 GLN CB C 14 27.730 27.730 28.662 -0.932 25484 542 1 2 . 1 1 14 14 GLN H H 14 8.113 8.113 9.067 -0.954 25484 543 1 2 . 1 1 15 15 ARG N N 15 119.160 119.160 118.575 0.585 25484 544 1 2 . 1 1 15 15 ARG HA H 15 4.150 4.150 4.066 0.084 25484 545 1 2 . 1 1 15 15 ARG C C 15 179.460 179.460 178.159 1.301 25484 546 1 2 . 1 1 15 15 ARG CA C 15 59.150 59.150 58.946 0.204 25484 547 1 2 . 1 1 15 15 ARG CB C 15 30.090 30.090 29.955 0.135 25484 548 1 2 . 1 1 15 15 ARG H H 15 8.200 8.200 8.213 -0.013 25484 549 1 2 . 1 1 16 16 ALA N N 16 124.140 124.140 124.160 -0.020 25484 550 1 2 . 1 1 16 16 ALA HA H 16 3.990 3.990 4.146 -0.156 25484 551 1 2 . 1 1 16 16 ALA C C 16 180.230 180.230 179.720 0.510 25484 552 1 2 . 1 1 16 16 ALA CA C 16 55.550 55.550 54.896 0.654 25484 553 1 2 . 1 1 16 16 ALA CB C 16 18.750 18.750 18.475 0.275 25484 554 1 2 . 1 1 16 16 ALA H H 16 8.071 8.071 7.540 0.531 25484 555 1 2 . 1 1 17 17 ILE N N 17 118.180 118.180 119.657 -1.477 25484 556 1 2 . 1 1 17 17 ILE HA H 17 3.712 3.712 3.326 0.386 25484 557 1 2 . 1 1 17 17 ILE C C 17 178.210 178.210 177.909 0.301 25484 558 1 2 . 1 1 17 17 ILE CA C 17 64.870 64.870 65.982 -1.112 25484 559 1 2 . 1 1 17 17 ILE CB C 17 37.640 37.640 37.633 0.007 25484 560 1 2 . 1 1 17 17 ILE H H 17 8.534 8.534 8.701 -0.167 25484 561 1 2 . 1 1 18 18 GLN N N 18 118.960 118.960 119.013 -0.053 25484 562 1 2 . 1 1 18 18 GLN HA H 18 4.134 4.134 3.845 0.289 25484 563 1 2 . 1 1 18 18 GLN C C 18 180.050 180.050 178.903 1.147 25484 564 1 2 . 1 1 18 18 GLN CA C 18 59.340 59.340 59.425 -0.085 25484 565 1 2 . 1 1 18 18 GLN CB C 18 28.030 28.030 28.378 -0.348 25484 566 1 2 . 1 1 18 18 GLN H H 18 8.200 8.200 8.632 -0.432 25484 567 1 2 . 1 1 19 19 SER N N 19 116.320 116.320 116.442 -0.122 25484 568 1 2 . 1 1 19 19 SER HA H 19 4.388 4.388 4.190 0.198 25484 569 1 2 . 1 1 19 19 SER C C 19 176.460 176.460 176.291 0.169 25484 570 1 2 . 1 1 19 19 SER CA C 19 62.250 62.250 62.492 -0.242 25484 571 1 2 . 1 1 19 19 SER CB C 19 63.270 63.270 63.045 0.225 25484 572 1 2 . 1 1 19 19 SER H H 19 8.190 8.190 8.386 -0.196 25484 573 1 2 . 1 1 20 20 LEU N N 20 125.540 125.540 124.497 1.043 25484 574 1 2 . 1 1 20 20 LEU HA H 20 4.075 4.075 3.954 0.121 25484 575 1 2 . 1 1 20 20 LEU C C 20 177.640 177.640 178.518 -0.878 25484 576 1 2 . 1 1 20 20 LEU CA C 20 58.750 58.750 58.367 0.383 25484 577 1 2 . 1 1 20 20 LEU CB C 20 42.390 42.390 41.938 0.452 25484 578 1 2 . 1 1 20 20 LEU H H 20 8.290 8.290 8.134 0.156 25484 579 1 2 . 1 1 21 21 VAL N N 21 118.690 118.690 118.574 0.116 25484 580 1 2 . 1 1 21 21 VAL HA H 21 3.356 3.356 3.392 -0.036 25484 581 1 2 . 1 1 21 21 VAL C C 21 178.770 178.770 177.465 1.305 25484 582 1 2 . 1 1 21 21 VAL CA C 21 66.850 66.850 67.622 -0.772 25484 583 1 2 . 1 1 21 21 VAL CB C 21 31.450 31.450 31.767 -0.317 25484 584 1 2 . 1 1 21 21 VAL H H 21 8.532 8.532 8.941 -0.409 25484 585 1 2 . 1 1 22 22 HIS N N 22 116.230 116.230 119.593 -3.363 25484 586 1 2 . 1 1 22 22 HIS HA H 22 4.230 4.230 4.207 0.023 25484 587 1 2 . 1 1 22 22 HIS C C 22 178.420 178.420 176.817 1.603 25484 588 1 2 . 1 1 22 22 HIS CA C 22 59.980 59.980 60.043 -0.063 25484 589 1 2 . 1 1 22 22 HIS CB C 22 27.830 27.830 29.719 -1.889 25484 590 1 2 . 1 1 22 22 HIS H H 22 7.980 7.980 8.168 -0.188 25484 591 1 2 . 1 1 23 23 ALA N N 23 121.520 121.520 120.751 0.769 25484 592 1 2 . 1 1 23 23 ALA HA H 23 4.225 4.225 4.154 0.071 25484 593 1 2 . 1 1 23 23 ALA C C 23 179.540 179.540 178.155 1.385 25484 594 1 2 . 1 1 23 23 ALA CA C 23 55.250 55.250 54.494 0.756 25484 595 1 2 . 1 1 23 23 ALA CB C 23 19.550 19.550 18.600 0.950 25484 596 1 2 . 1 1 23 23 ALA H H 23 8.640 8.640 8.466 0.174 25484 597 1 2 . 1 1 24 24 ALA N N 24 116.860 116.860 119.698 -2.838 25484 598 1 2 . 1 1 24 24 ALA HA H 24 4.100 4.100 4.049 0.051 25484 599 1 2 . 1 1 24 24 ALA C C 24 178.130 178.130 179.000 -0.870 25484 600 1 2 . 1 1 24 24 ALA CA C 24 54.090 54.090 54.315 -0.225 25484 601 1 2 . 1 1 24 24 ALA CB C 24 18.750 18.750 18.616 0.134 25484 602 1 2 . 1 1 24 24 ALA H H 24 8.260 8.260 7.525 0.735 25484 603 1 2 . 1 1 25 25 GLN N N 25 112.450 112.450 117.140 -4.690 25484 604 1 2 . 1 1 25 25 GLN HA H 25 4.495 4.495 4.194 0.301 25484 605 1 2 . 1 1 25 25 GLN C C 25 174.940 174.940 176.146 -1.206 25484 606 1 2 . 1 1 25 25 GLN CA C 25 54.650 54.650 57.005 -2.355 25484 607 1 2 . 1 1 25 25 GLN CB C 25 30.650 30.650 30.043 0.607 25484 608 1 2 . 1 1 25 25 GLN H H 25 7.260 7.260 8.202 -0.942 25484 609 1 2 . 1 1 26 26 CYS N N 26 124.510 124.510 120.702 3.808 25484 610 1 2 . 1 1 26 26 CYS HA H 26 3.915 3.915 4.219 -0.304 25484 611 1 2 . 1 1 26 26 CYS C C 26 176.690 176.690 173.377 3.313 25484 612 1 2 . 1 1 26 26 CYS CA C 26 60.980 60.980 58.927 2.053 25484 613 1 2 . 1 1 26 26 CYS CB C 26 29.350 29.350 28.504 0.846 25484 614 1 2 . 1 1 26 26 CYS H H 26 7.365 7.365 8.379 -1.014 25484 615 1 2 . 1 1 27 27 ARG N N 27 129.870 129.870 127.001 2.869 25484 616 1 2 . 1 1 27 27 ARG HA H 27 4.635 4.635 4.539 0.096 25484 617 1 2 . 1 1 27 27 ARG C C 27 175.660 175.660 174.289 1.371 25484 618 1 2 . 1 1 27 27 ARG CA C 27 54.550 54.550 54.628 -0.078 25484 619 1 2 . 1 1 27 27 ARG CB C 27 30.350 30.350 29.344 1.006 25484 620 1 2 . 1 1 27 27 ARG H H 27 8.880 8.880 8.534 0.346 25484 621 1 2 . 1 1 28 28 ASN N N 28 120.810 120.810 121.662 -0.852 25484 622 1 2 . 1 1 28 28 ASN HA H 28 4.870 4.870 4.785 0.085 25484 623 1 2 . 1 1 28 28 ASN C C 28 176.120 176.120 175.116 1.004 25484 624 1 2 . 1 1 28 28 ASN CA C 28 51.930 51.930 52.998 -1.068 25484 625 1 2 . 1 1 28 28 ASN CB C 28 39.060 39.060 40.716 -1.656 25484 626 1 2 . 1 1 28 28 ASN H H 28 7.980 7.980 8.168 -0.188 25484 627 1 2 . 1 1 29 29 ALA N N 29 130.470 130.470 127.123 3.347 25484 628 1 2 . 1 1 29 29 ALA HA H 29 4.133 4.133 4.220 -0.087 25484 629 1 2 . 1 1 29 29 ALA C C 29 178.380 178.380 176.800 1.580 25484 630 1 2 . 1 1 29 29 ALA CA C 29 54.290 54.290 53.655 0.635 25484 631 1 2 . 1 1 29 29 ALA CB C 29 18.370 18.370 19.264 -0.894 25484 632 1 2 . 1 1 29 29 ALA H H 29 9.134 9.134 8.621 0.513 25484 633 1 2 . 1 1 30 30 ASN N N 30 114.590 114.590 114.870 -0.280 25484 634 1 2 . 1 1 30 30 ASN HA H 30 4.875 4.875 4.898 -0.023 25484 635 1 2 . 1 1 30 30 ASN C C 30 174.530 174.530 174.549 -0.019 25484 636 1 2 . 1 1 30 30 ASN CA C 30 51.930 51.930 52.401 -0.471 25484 637 1 2 . 1 1 30 30 ASN CB C 30 38.910 38.910 39.536 -0.626 25484 638 1 2 . 1 1 30 30 ASN H H 30 8.114 8.114 7.883 0.231 25484 639 1 2 . 1 1 31 31 CYS N N 31 123.270 123.270 121.121 2.149 25484 640 1 2 . 1 1 31 31 CYS HA H 31 4.050 4.050 4.366 -0.316 25484 641 1 2 . 1 1 31 31 CYS C C 31 177.170 177.170 175.391 1.779 25484 642 1 2 . 1 1 31 31 CYS CA C 31 61.880 61.880 60.236 1.644 25484 643 1 2 . 1 1 31 31 CYS CB C 31 30.010 30.010 28.645 1.365 25484 644 1 2 . 1 1 31 31 CYS H H 31 7.210 7.210 7.776 -0.566 25484 645 1 2 . 1 1 32 32 SER N N 32 124.300 124.300 123.483 0.817 25484 646 1 2 . 1 1 32 32 SER HA H 32 4.609 4.609 4.577 0.032 25484 647 1 2 . 1 1 32 32 SER C C 32 175.020 175.020 173.127 1.893 25484 648 1 2 . 1 1 32 32 SER CA C 32 58.010 58.010 57.217 0.793 25484 649 1 2 . 1 1 32 32 SER CB C 32 64.120 64.120 62.586 1.534 25484 650 1 2 . 1 1 32 32 SER H H 32 8.767 8.767 8.655 0.112 25484 651 1 2 . 1 1 33 33 LEU N N 33 128.860 128.860 129.404 -0.544 25484 652 1 2 . 1 1 33 33 LEU HA H 33 4.538 4.538 4.999 -0.461 25484 653 1 2 . 1 1 33 33 LEU C C 33 177.230 177.230 174.596 2.634 25484 654 1 2 . 1 1 33 33 LEU CA C 33 54.450 54.450 51.500 2.950 25484 655 1 2 . 1 1 33 33 LEU CB C 33 40.970 40.970 43.088 -2.118 25484 656 1 2 . 1 1 33 33 LEU H H 33 8.546 8.546 7.548 0.998 25484 657 1 2 . 1 1 34 34 PRO HA H 34 4.370 4.370 4.500 -0.130 25484 658 1 2 . 1 1 34 34 PRO C C 34 178.640 178.640 178.269 0.371 25484 659 1 2 . 1 1 34 34 PRO CA C 34 65.530 65.530 65.517 0.013 25484 660 1 2 . 1 1 34 34 PRO CB C 34 31.970 31.970 31.800 0.170 25484 661 1 2 . 1 1 35 35 SER N N 35 111.940 111.940 112.511 -0.571 25484 662 1 2 . 1 1 35 35 SER HA H 35 4.127 4.127 4.321 -0.194 25484 663 1 2 . 1 1 35 35 SER C C 35 174.750 174.750 176.594 -1.844 25484 664 1 2 . 1 1 35 35 SER CA C 35 60.100 60.100 60.527 -0.427 25484 665 1 2 . 1 1 35 35 SER CB C 35 62.910 62.910 62.609 0.301 25484 666 1 2 . 1 1 35 35 SER H H 35 8.350 8.350 8.755 -0.405 25484 667 1 2 . 1 1 36 36 CYS N N 36 125.790 125.790 123.585 2.205 25484 668 1 2 . 1 1 36 36 CYS HA H 36 4.215 4.215 4.108 0.107 25484 669 1 2 . 1 1 36 36 CYS C C 36 177.070 177.070 176.415 0.655 25484 670 1 2 . 1 1 36 36 CYS CA C 36 63.900 63.900 62.899 1.001 25484 671 1 2 . 1 1 36 36 CYS CB C 36 29.650 29.650 27.818 1.832 25484 672 1 2 . 1 1 36 36 CYS H H 36 7.490 7.490 8.127 -0.637 25484 673 1 2 . 1 1 37 37 GLN N N 37 115.860 115.860 119.010 -3.150 25484 674 1 2 . 1 1 37 37 GLN HA H 37 4.010 4.010 3.800 0.210 25484 675 1 2 . 1 1 37 37 GLN C C 37 179.690 179.690 178.209 1.481 25484 676 1 2 . 1 1 37 37 GLN CA C 37 59.980 59.980 59.108 0.872 25484 677 1 2 . 1 1 37 37 GLN CB C 37 27.820 27.820 28.352 -0.532 25484 678 1 2 . 1 1 37 37 GLN H H 37 8.170 8.170 8.625 -0.455 25484 679 1 2 . 1 1 38 38 LYS N N 38 117.470 117.470 119.485 -2.015 25484 680 1 2 . 1 1 38 38 LYS HA H 38 4.060 4.060 4.004 0.056 25484 681 1 2 . 1 1 38 38 LYS C C 38 179.230 179.230 179.287 -0.057 25484 682 1 2 . 1 1 38 38 LYS CA C 38 59.450 59.450 59.246 0.204 25484 683 1 2 . 1 1 38 38 LYS CB C 38 32.650 32.650 32.239 0.411 25484 684 1 2 . 1 1 38 38 LYS H H 38 7.920 7.920 8.101 -0.181 25484 685 1 2 . 1 1 39 39 MET N N 39 118.050 118.050 118.221 -0.171 25484 686 1 2 . 1 1 39 39 MET HA H 39 4.559 4.559 4.118 0.441 25484 687 1 2 . 1 1 39 39 MET C C 39 179.720 179.720 178.450 1.270 25484 688 1 2 . 1 1 39 39 MET CA C 39 57.250 57.250 58.287 -1.037 25484 689 1 2 . 1 1 39 39 MET CB C 39 32.550 32.550 32.079 0.471 25484 690 1 2 . 1 1 39 39 MET H H 39 8.370 8.370 7.731 0.639 25484 691 1 2 . 1 1 40 40 LYS N N 40 121.630 121.630 120.298 1.332 25484 692 1 2 . 1 1 40 40 LYS HA H 40 3.840 3.840 3.936 -0.096 25484 693 1 2 . 1 1 40 40 LYS C C 40 180.150 180.150 179.131 1.019 25484 694 1 2 . 1 1 40 40 LYS CA C 40 61.520 61.520 60.219 1.301 25484 695 1 2 . 1 1 40 40 LYS CB C 40 32.620 32.620 32.268 0.352 25484 696 1 2 . 1 1 40 40 LYS H H 40 9.490 9.490 8.629 0.861 25484 697 1 2 . 1 1 41 41 ARG N N 41 118.300 118.300 118.424 -0.124 25484 698 1 2 . 1 1 41 41 ARG HA H 41 4.180 4.180 4.153 0.027 25484 699 1 2 . 1 1 41 41 ARG C C 41 180.080 180.080 178.004 2.076 25484 700 1 2 . 1 1 41 41 ARG CA C 41 59.750 59.750 58.666 1.084 25484 701 1 2 . 1 1 41 41 ARG CB C 41 30.010 30.010 30.259 -0.249 25484 702 1 2 . 1 1 41 41 ARG H H 41 7.610 7.610 7.921 -0.311 25484 703 1 2 . 1 1 42 42 VAL N N 42 121.750 121.750 120.794 0.956 25484 704 1 2 . 1 1 42 42 VAL HA H 42 3.745 3.745 3.989 -0.244 25484 705 1 2 . 1 1 42 42 VAL C C 42 178.130 178.130 177.523 0.607 25484 706 1 2 . 1 1 42 42 VAL CA C 42 66.760 66.760 64.136 2.624 25484 707 1 2 . 1 1 42 42 VAL CB C 42 31.520 31.520 32.279 -0.759 25484 708 1 2 . 1 1 42 42 VAL H H 42 7.760 7.760 7.808 -0.048 25484 709 1 2 . 1 1 43 43 VAL N N 43 120.580 120.580 121.844 -1.264 25484 710 1 2 . 1 1 43 43 VAL HA H 43 3.531 3.531 3.517 0.014 25484 711 1 2 . 1 1 43 43 VAL C C 43 179.310 179.310 178.508 0.802 25484 712 1 2 . 1 1 43 43 VAL CA C 43 67.120 67.120 67.288 -0.168 25484 713 1 2 . 1 1 43 43 VAL CB C 43 31.510 31.510 30.801 0.709 25484 714 1 2 . 1 1 43 43 VAL H H 43 8.500 8.500 8.595 -0.095 25484 715 1 2 . 1 1 44 44 GLN N N 44 119.280 119.280 116.463 2.817 25484 716 1 2 . 1 1 44 44 GLN HA H 44 4.010 4.010 4.066 -0.056 25484 717 1 2 . 1 1 44 44 GLN C C 44 179.330 179.330 178.505 0.825 25484 718 1 2 . 1 1 44 44 GLN CA C 44 59.060 59.060 58.667 0.393 25484 719 1 2 . 1 1 44 44 GLN CB C 44 28.030 28.030 28.141 -0.111 25484 720 1 2 . 1 1 44 44 GLN H H 44 8.400 8.400 8.666 -0.266 25484 721 1 2 . 1 1 45 45 HIS N N 45 119.160 119.160 120.347 -1.187 25484 722 1 2 . 1 1 45 45 HIS HA H 45 4.283 4.283 4.321 -0.038 25484 723 1 2 . 1 1 45 45 HIS C C 45 178.250 178.250 177.282 0.968 25484 724 1 2 . 1 1 45 45 HIS CA C 45 59.950 59.950 60.047 -0.097 25484 725 1 2 . 1 1 45 45 HIS CB C 45 27.150 27.150 29.780 -2.630 25484 726 1 2 . 1 1 45 45 HIS H H 45 8.190 8.190 8.032 0.158 25484 727 1 2 . 1 1 46 46 THR N N 46 111.110 111.110 115.202 -4.092 25484 728 1 2 . 1 1 46 46 THR HA H 46 3.859 3.859 4.062 -0.203 25484 729 1 2 . 1 1 46 46 THR C C 46 176.350 176.350 177.375 -1.025 25484 730 1 2 . 1 1 46 46 THR CA C 46 65.670 65.670 66.441 -0.771 25484 731 1 2 . 1 1 46 46 THR CB C 46 69.190 69.190 68.942 0.248 25484 732 1 2 . 1 1 46 46 THR H H 46 7.980 7.980 8.458 -0.478 25484 733 1 2 . 1 1 47 47 LYS N N 47 120.510 120.510 119.164 1.346 25484 734 1 2 . 1 1 47 47 LYS HA H 47 4.090 4.090 4.154 -0.064 25484 735 1 2 . 1 1 47 47 LYS C C 47 178.150 178.150 178.884 -0.734 25484 736 1 2 . 1 1 47 47 LYS CA C 47 58.750 58.750 58.632 0.118 25484 737 1 2 . 1 1 47 47 LYS CB C 47 32.360 32.360 32.443 -0.083 25484 738 1 2 . 1 1 47 47 LYS H H 47 7.410 7.410 7.609 -0.199 25484 739 1 2 . 1 1 48 48 GLY N N 48 104.210 104.210 105.670 -1.460 25484 740 1 2 . 1 1 48 48 GLY C C 48 174.220 174.220 174.806 -0.586 25484 741 1 2 . 1 1 48 48 GLY CA C 48 44.753 44.753 45.418 -0.665 25484 742 1 2 . 1 1 48 48 GLY H H 48 7.180 7.180 7.874 -0.694 25484 743 1 2 . 1 1 49 49 CYS N N 49 123.560 123.560 121.283 2.277 25484 744 1 2 . 1 1 49 49 CYS HA H 49 4.010 4.010 4.530 -0.520 25484 745 1 2 . 1 1 49 49 CYS C C 49 177.230 177.230 174.344 2.886 25484 746 1 2 . 1 1 49 49 CYS CA C 49 61.230 61.230 56.965 4.265 25484 747 1 2 . 1 1 49 49 CYS CB C 49 29.850 29.850 26.122 3.728 25484 748 1 2 . 1 1 49 49 CYS H H 49 6.981 6.981 7.799 -0.818 25484 749 1 2 . 1 1 50 50 LYS N N 50 128.350 128.350 123.010 5.340 25484 750 1 2 . 1 1 50 50 LYS HA H 50 4.524 4.524 4.126 0.398 25484 751 1 2 . 1 1 50 50 LYS C C 50 178.040 178.040 177.428 0.612 25484 752 1 2 . 1 1 50 50 LYS CA C 50 56.750 56.750 57.279 -0.528 25484 753 1 2 . 1 1 50 50 LYS CB C 50 32.950 32.950 32.084 0.866 25484 754 1 2 . 1 1 50 50 LYS H H 50 8.999 8.999 7.978 1.021 25484 755 1 2 . 1 1 51 51 ARG N N 51 122.550 122.550 118.120 4.430 25484 756 1 2 . 1 1 51 51 ARG HA H 51 4.428 4.428 4.131 0.297 25484 757 1 2 . 1 1 51 51 ARG C C 51 177.410 177.410 178.352 -0.942 25484 758 1 2 . 1 1 51 51 ARG CA C 51 57.750 57.750 57.092 0.658 25484 759 1 2 . 1 1 51 51 ARG CB C 51 31.860 31.860 28.915 2.945 25484 760 1 2 . 1 1 51 51 ARG H H 51 8.558 8.558 8.427 0.131 25484 761 1 2 . 1 1 52 52 LYS N N 52 119.040 119.040 120.637 -1.597 25484 762 1 2 . 1 1 52 52 LYS HA H 52 4.534 4.534 4.060 0.474 25484 763 1 2 . 1 1 52 52 LYS C C 52 177.610 177.610 178.534 -0.924 25484 764 1 2 . 1 1 52 52 LYS CA C 52 57.970 57.970 60.123 -2.153 25484 765 1 2 . 1 1 52 52 LYS CB C 52 32.350 32.350 32.030 0.320 25484 766 1 2 . 1 1 52 52 LYS H H 52 8.490 8.490 8.250 0.240 25484 767 1 2 . 1 1 53 53 THR N N 53 113.034 113.034 107.887 5.147 25484 768 1 2 . 1 1 53 53 THR HA H 53 4.160 4.160 4.313 -0.153 25484 769 1 2 . 1 1 53 53 THR C C 53 175.610 175.610 176.700 -1.090 25484 770 1 2 . 1 1 53 53 THR CA C 53 64.050 64.050 64.023 0.027 25484 771 1 2 . 1 1 53 53 THR CB C 53 69.120 69.120 68.852 0.268 25484 772 1 2 . 1 1 53 53 THR H H 53 7.760 7.760 8.208 -0.448 25484 773 1 2 . 1 1 54 54 ASN N N 54 119.860 119.860 121.774 -1.914 25484 774 1 2 . 1 1 54 54 ASN HA H 54 4.920 4.920 4.542 0.378 25484 775 1 2 . 1 1 54 54 ASN C C 54 176.330 176.330 176.623 -0.293 25484 776 1 2 . 1 1 54 54 ASN CA C 54 53.720 53.720 55.725 -2.005 25484 777 1 2 . 1 1 54 54 ASN CB C 54 38.350 38.350 38.795 -0.445 25484 778 1 2 . 1 1 54 54 ASN H H 54 8.290 8.290 7.951 0.339 25484 779 1 2 . 1 1 55 55 GLY N N 55 107.570 107.570 104.551 3.019 25484 780 1 2 . 1 1 55 55 GLY C C 55 175.660 175.660 174.413 1.247 25484 781 1 2 . 1 1 55 55 GLY CA C 55 45.938 45.938 44.244 1.694 25484 782 1 2 . 1 1 55 55 GLY H H 55 8.006 8.006 7.885 0.121 25484 783 1 2 . 1 1 56 56 GLY N N 56 107.290 107.290 108.797 -1.507 25484 784 1 2 . 1 1 56 56 GLY C C 56 173.710 173.710 174.821 -1.111 25484 785 1 2 . 1 1 56 56 GLY CA C 56 45.570 45.570 45.511 0.059 25484 786 1 2 . 1 1 56 56 GLY H H 56 7.840 7.840 7.535 0.305 25484 787 1 2 . 1 1 57 57 CYS N N 57 122.730 122.730 120.687 2.043 25484 788 1 2 . 1 1 57 57 CYS HA H 57 4.505 4.505 4.864 -0.359 25484 789 1 2 . 1 1 57 57 CYS C C 57 175.090 175.090 173.326 1.764 25484 790 1 2 . 1 1 57 57 CYS CA C 57 55.950 55.950 55.527 0.423 25484 791 1 2 . 1 1 57 57 CYS CB C 57 30.760 30.760 28.783 1.977 25484 792 1 2 . 1 1 57 57 CYS H H 57 8.048 8.048 7.895 0.153 25484 793 1 2 . 1 1 58 58 PRO HA H 58 4.338 4.338 4.709 -0.371 25484 794 1 2 . 1 1 58 58 PRO CA C 58 65.050 65.050 62.763 2.287 25484 795 1 2 . 1 1 58 58 PRO CB C 58 32.620 32.620 30.574 2.046 25484 796 1 2 . 1 1 59 59 ILE N N 59 121.256 121.256 123.360 -2.104 25484 797 1 2 . 1 1 59 59 ILE HA H 59 3.818 3.818 4.183 -0.365 25484 798 1 2 . 1 1 59 59 ILE C C 59 178.820 178.820 176.125 2.695 25484 799 1 2 . 1 1 59 59 ILE CA C 59 64.590 64.590 62.894 1.696 25484 800 1 2 . 1 1 59 59 ILE CB C 59 38.890 38.890 39.238 -0.348 25484 801 1 2 . 1 1 59 59 ILE H H 59 7.900 7.900 8.813 -0.913 25484 802 1 2 . 1 1 60 60 CYS N N 60 123.970 123.970 119.886 4.084 25484 803 1 2 . 1 1 60 60 CYS HA H 60 4.117 4.117 4.061 0.056 25484 804 1 2 . 1 1 60 60 CYS C C 60 178.110 178.110 177.129 0.981 25484 805 1 2 . 1 1 60 60 CYS CA C 60 66.090 66.090 63.621 2.469 25484 806 1 2 . 1 1 60 60 CYS CB C 60 29.150 29.150 26.877 2.273 25484 807 1 2 . 1 1 60 60 CYS H H 60 8.914 8.914 8.360 0.554 25484 808 1 2 . 1 1 61 61 LYS N N 61 117.210 117.210 120.242 -3.032 25484 809 1 2 . 1 1 61 61 LYS HA H 61 3.910 3.910 4.110 -0.200 25484 810 1 2 . 1 1 61 61 LYS C C 61 179.460 179.460 178.226 1.234 25484 811 1 2 . 1 1 61 61 LYS CA C 61 59.970 59.970 59.660 0.310 25484 812 1 2 . 1 1 61 61 LYS CB C 61 32.650 32.650 32.479 0.171 25484 813 1 2 . 1 1 61 61 LYS H H 61 8.090 8.090 8.257 -0.167 25484 814 1 2 . 1 1 62 62 GLN N N 62 117.780 117.780 118.827 -1.047 25484 815 1 2 . 1 1 62 62 GLN HA H 62 4.203 4.203 4.196 0.007 25484 816 1 2 . 1 1 62 62 GLN C C 62 178.564 178.564 178.791 -0.227 25484 817 1 2 . 1 1 62 62 GLN CA C 62 58.450 58.450 58.178 0.272 25484 818 1 2 . 1 1 62 62 GLN CB C 62 29.140 29.140 29.067 0.073 25484 819 1 2 . 1 1 62 62 GLN H H 62 7.360 7.360 7.484 -0.124 25484 820 1 2 . 1 1 63 63 LEU N N 63 119.930 119.930 123.491 -3.561 25484 821 1 2 . 1 1 63 63 LEU HA H 63 4.218 4.218 4.055 0.163 25484 822 1 2 . 1 1 63 63 LEU C C 63 179.440 179.440 177.853 1.587 25484 823 1 2 . 1 1 63 63 LEU CA C 63 58.550 58.550 57.719 0.831 25484 824 1 2 . 1 1 63 63 LEU CB C 63 41.910 41.910 41.664 0.246 25484 825 1 2 . 1 1 63 63 LEU H H 63 8.075 8.075 8.998 -0.923 25484 826 1 2 . 1 1 64 64 ILE N N 64 120.280 120.280 119.864 0.416 25484 827 1 2 . 1 1 64 64 ILE HA H 64 3.600 3.600 3.548 0.052 25484 828 1 2 . 1 1 64 64 ILE C C 64 177.950 177.950 177.792 0.158 25484 829 1 2 . 1 1 64 64 ILE CA C 64 65.250 65.250 65.713 -0.463 25484 830 1 2 . 1 1 64 64 ILE CB C 64 37.320 37.320 37.416 -0.096 25484 831 1 2 . 1 1 64 64 ILE H H 64 8.466 8.466 8.621 -0.155 25484 832 1 2 . 1 1 65 65 ALA N N 65 122.590 122.590 122.241 0.349 25484 833 1 2 . 1 1 65 65 ALA HA H 65 4.185 4.185 4.084 0.101 25484 834 1 2 . 1 1 65 65 ALA C C 65 181.010 181.010 179.635 1.375 25484 835 1 2 . 1 1 65 65 ALA CA C 65 55.220 55.220 55.452 -0.232 25484 836 1 2 . 1 1 65 65 ALA CB C 65 18.450 18.450 18.114 0.336 25484 837 1 2 . 1 1 65 65 ALA H H 65 7.496 7.496 8.337 -0.841 25484 838 1 2 . 1 1 66 66 LEU N N 66 115.599 115.599 120.624 -5.025 25484 839 1 2 . 1 1 66 66 LEU HA H 66 4.100 4.100 4.299 -0.199 25484 840 1 2 . 1 1 66 66 LEU C C 66 179.380 179.380 178.776 0.604 25484 841 1 2 . 1 1 66 66 LEU CA C 66 57.930 57.930 57.772 0.158 25484 842 1 2 . 1 1 66 66 LEU CB C 66 41.410 41.410 41.527 -0.117 25484 843 1 2 . 1 1 66 66 LEU H H 66 8.139 8.139 8.029 0.110 25484 844 1 2 . 1 1 67 67 ALA N N 67 122.670 122.670 121.230 1.440 25484 845 1 2 . 1 1 67 67 ALA HA H 67 3.958 3.958 3.801 0.157 25484 846 1 2 . 1 1 67 67 ALA C C 67 180.060 180.060 179.449 0.611 25484 847 1 2 . 1 1 67 67 ALA CA C 67 55.750 55.750 55.358 0.392 25484 848 1 2 . 1 1 67 67 ALA CB C 67 19.220 19.220 18.180 1.040 25484 849 1 2 . 1 1 67 67 ALA H H 67 8.770 8.770 8.857 -0.087 25484 850 1 2 . 1 1 68 68 ALA N N 68 120.580 120.580 122.346 -1.766 25484 851 1 2 . 1 1 68 68 ALA HA H 68 4.142 4.142 4.713 -0.571 25484 852 1 2 . 1 1 68 68 ALA C C 68 179.540 179.540 179.624 -0.084 25484 853 1 2 . 1 1 68 68 ALA CA C 68 55.450 55.450 54.711 0.739 25484 854 1 2 . 1 1 68 68 ALA CB C 68 18.220 18.220 19.043 -0.823 25484 855 1 2 . 1 1 68 68 ALA H H 68 8.604 8.604 8.731 -0.127 25484 856 1 2 . 1 1 69 69 TYR HA H 69 4.345 4.345 4.218 0.127 25484 857 1 2 . 1 1 69 69 TYR CA C 69 57.750 57.750 60.575 -2.825 25484 858 1 2 . 1 1 69 69 TYR CB C 69 38.580 38.580 37.376 1.204 25484 859 1 2 . 1 1 71 71 ALA HA H 71 4.000 4.000 3.940 0.060 25484 860 1 2 . 1 1 71 71 ALA C C 71 179.540 179.540 179.205 0.335 25484 861 1 2 . 1 1 71 71 ALA CA C 71 54.850 54.850 55.338 -0.488 25484 862 1 2 . 1 1 71 71 ALA CB C 71 19.650 19.650 18.452 1.198 25484 863 1 2 . 1 1 72 72 LYS N N 72 114.680 114.680 116.348 -1.668 25484 864 1 2 . 1 1 72 72 LYS HA H 72 3.904 3.904 4.012 -0.108 25484 865 1 2 . 1 1 72 72 LYS C C 72 177.120 177.120 178.666 -1.546 25484 866 1 2 . 1 1 72 72 LYS CA C 72 58.230 58.230 59.160 -0.930 25484 867 1 2 . 1 1 72 72 LYS CB C 72 32.340 32.340 32.564 -0.224 25484 868 1 2 . 1 1 72 72 LYS H H 72 7.080 7.080 8.149 -1.069 25484 869 1 2 . 1 1 73 73 HIS N N 73 113.498 113.498 115.858 -2.360 25484 870 1 2 . 1 1 73 73 HIS HA H 73 4.826 4.826 4.495 0.331 25484 871 1 2 . 1 1 73 73 HIS C C 73 173.660 173.660 175.748 -2.088 25484 872 1 2 . 1 1 73 73 HIS CA C 73 54.380 54.380 58.404 -4.024 25484 873 1 2 . 1 1 73 73 HIS CB C 73 30.350 30.350 31.369 -1.019 25484 874 1 2 . 1 1 73 73 HIS H H 73 7.250 7.250 7.725 -0.475 25484 875 1 2 . 1 1 74 74 CYS N N 74 123.830 123.830 120.741 3.089 25484 876 1 2 . 1 1 74 74 CYS HA H 74 4.150 4.150 4.332 -0.182 25484 877 1 2 . 1 1 74 74 CYS C C 74 176.480 176.480 174.056 2.424 25484 878 1 2 . 1 1 74 74 CYS CA C 74 60.250 60.250 58.697 1.554 25484 879 1 2 . 1 1 74 74 CYS CB C 74 29.930 29.930 26.484 3.446 25484 880 1 2 . 1 1 74 74 CYS H H 74 7.140 7.140 8.380 -1.240 25484 881 1 2 . 1 1 75 75 GLN N N 75 128.740 128.740 126.156 2.584 25484 882 1 2 . 1 1 75 75 GLN HA H 75 4.685 4.685 4.407 0.278 25484 883 1 2 . 1 1 75 75 GLN C C 75 176.090 176.090 175.093 0.997 25484 884 1 2 . 1 1 75 75 GLN CA C 75 54.900 54.900 55.527 -0.627 25484 885 1 2 . 1 1 75 75 GLN CB C 75 29.840 29.840 27.995 1.845 25484 886 1 2 . 1 1 75 75 GLN H H 75 9.088 9.088 8.682 0.406 25484 887 1 2 . 1 1 76 76 GLU N N 76 123.190 123.190 123.327 -0.137 25484 888 1 2 . 1 1 76 76 GLU HA H 76 4.480 4.480 4.462 0.018 25484 889 1 2 . 1 1 76 76 GLU C C 76 177.030 177.030 174.601 2.429 25484 890 1 2 . 1 1 76 76 GLU CA C 76 56.210 56.210 55.647 0.563 25484 891 1 2 . 1 1 76 76 GLU CB C 76 30.660 30.660 32.389 -1.729 25484 892 1 2 . 1 1 76 76 GLU H H 76 8.390 8.390 7.835 0.555 25484 893 1 2 . 1 1 77 77 ASN N N 77 124.760 124.760 118.653 6.107 25484 894 1 2 . 1 1 77 77 ASN HA H 77 4.549 4.549 4.788 -0.239 25484 895 1 2 . 1 1 77 77 ASN C C 77 176.070 176.070 174.799 1.271 25484 896 1 2 . 1 1 77 77 ASN CA C 77 55.100 55.100 52.778 2.322 25484 897 1 2 . 1 1 77 77 ASN CB C 77 38.650 38.650 39.028 -0.378 25484 898 1 2 . 1 1 77 77 ASN H H 77 8.848 8.848 8.711 0.137 25484 899 1 2 . 1 1 78 78 LYS N N 78 120.810 120.810 119.781 1.029 25484 900 1 2 . 1 1 78 78 LYS HA H 78 4.460 4.460 4.513 -0.053 25484 901 1 2 . 1 1 78 78 LYS C C 78 175.230 175.230 176.071 -0.841 25484 902 1 2 . 1 1 78 78 LYS CA C 78 54.920 54.920 54.736 0.184 25484 903 1 2 . 1 1 78 78 LYS CB C 78 31.020 31.020 32.930 -1.910 25484 904 1 2 . 1 1 78 78 LYS H H 78 8.636 8.636 7.786 0.850 25484 905 1 2 . 1 1 80 80 PRO HA H 80 4.710 4.710 4.295 0.415 25484 906 1 2 . 1 1 80 80 PRO CA C 80 62.850 62.850 63.357 -0.507 25484 907 1 2 . 1 1 80 80 PRO CB C 80 32.150 32.150 30.381 1.769 25484 908 1 2 . 1 1 81 81 VAL HA H 81 3.578 3.578 4.325 -0.747 25484 909 1 2 . 1 1 81 81 VAL CA C 81 62.350 62.350 58.069 4.281 25484 910 1 2 . 1 1 81 81 VAL CB C 81 31.616 31.616 33.378 -1.762 25484 911 1 2 . 1 1 82 82 PRO HA H 82 4.850 4.850 3.883 0.967 25484 912 1 2 . 1 1 82 82 PRO CA C 82 63.350 63.350 62.576 0.774 25484 913 1 2 . 1 1 82 82 PRO CB C 82 32.050 32.050 31.734 0.316 25484 914 1 2 . 1 1 83 83 PHE HA H 83 4.160 4.160 4.299 -0.139 25484 915 1 2 . 1 1 83 83 PHE CA C 83 58.950 58.950 59.001 -0.051 25484 916 1 2 . 1 1 83 83 PHE CB C 83 38.250 38.250 36.402 1.848 25484 917 1 2 . 1 1 84 84 CYS HA H 84 4.597 4.597 4.817 -0.220 25484 918 1 2 . 1 1 84 84 CYS CA C 84 56.750 56.750 56.348 0.402 25484 919 1 2 . 1 1 84 84 CYS CB C 84 30.150 30.150 30.626 -0.476 25484 920 1 2 . 1 1 85 85 LEU N N 85 119.930 119.930 120.885 -0.955 25484 921 1 2 . 1 1 85 85 LEU HA H 85 3.958 3.958 4.268 -0.310 25484 922 1 2 . 1 1 85 85 LEU CA C 85 59.350 59.350 57.029 2.321 25484 923 1 2 . 1 1 85 85 LEU CB C 85 38.180 38.180 39.287 -1.107 25484 924 1 2 . 1 1 85 85 LEU H H 85 8.220 8.220 8.511 -0.291 25484 925 1 2 . 1 1 86 86 ASN N N 86 115.750 115.750 116.827 -1.077 25484 926 1 2 . 1 1 86 86 ASN HA H 86 4.580 4.580 5.000 -0.420 25484 927 1 2 . 1 1 86 86 ASN CA C 86 51.860 51.860 54.181 -2.321 25484 928 1 2 . 1 1 86 86 ASN CB C 86 38.610 38.610 40.904 -2.294 25484 929 1 2 . 1 1 86 86 ASN H H 86 7.789 7.789 8.565 -0.776 25484 930 1 2 . 1 1 87 87 ILE N N 87 123.260 123.260 119.829 3.431 25484 931 1 2 . 1 1 87 87 ILE HA H 87 4.220 4.220 3.934 0.286 25484 932 1 2 . 1 1 87 87 ILE CA C 87 61.850 61.850 61.542 0.308 25484 933 1 2 . 1 1 87 87 ILE CB C 87 41.330 41.330 38.527 2.803 25484 934 1 2 . 1 1 87 87 ILE H H 87 7.160 7.160 8.388 -1.228 25484 935 1 2 . 1 1 88 88 LYS HA H 88 4.450 4.450 4.504 -0.054 25484 936 1 2 . 1 1 88 88 LYS CA C 88 54.530 54.530 55.515 -0.985 25484 937 1 2 . 1 1 88 88 LYS CB C 88 31.450 31.450 31.248 0.202 25484 938 1 2 . 1 1 89 89 GLN HA H 89 4.450 4.450 4.449 0.001 25484 939 1 2 . 1 1 89 89 GLN CA C 89 56.210 56.210 55.267 0.943 25484 940 1 2 . 1 1 89 89 GLN CB C 89 29.250 29.250 29.474 -0.224 25484 941 1 3 . 1 1 2 2 THR HA H 2 4.415 4.415 4.039 0.376 25484 942 1 3 . 1 1 2 2 THR C C 2 174.580 174.580 174.721 -0.141 25484 943 1 3 . 1 1 2 2 THR CA C 2 62.450 62.450 63.592 -1.142 25484 944 1 3 . 1 1 2 2 THR CB C 2 70.050 70.050 69.243 0.807 25484 945 1 3 . 1 1 3 3 GLN N N 3 123.423 123.423 117.715 5.708 25484 946 1 3 . 1 1 3 3 GLN HA H 3 4.480 4.480 4.570 -0.090 25484 947 1 3 . 1 1 3 3 GLN C C 3 176.040 176.040 174.540 1.500 25484 948 1 3 . 1 1 3 3 GLN CA C 3 55.950 55.950 55.765 0.185 25484 949 1 3 . 1 1 3 3 GLN CB C 3 30.550 30.550 30.251 0.299 25484 950 1 3 . 1 1 3 3 GLN H H 3 8.536 8.536 8.062 0.474 25484 951 1 3 . 1 1 4 4 SER N N 4 119.390 119.390 116.930 2.460 25484 952 1 3 . 1 1 4 4 SER HA H 4 4.834 4.834 4.776 0.058 25484 953 1 3 . 1 1 4 4 SER C C 4 173.640 173.640 173.569 0.071 25484 954 1 3 . 1 1 4 4 SER CA C 4 56.250 56.250 59.058 -2.808 25484 955 1 3 . 1 1 4 4 SER CB C 4 63.400 63.400 61.810 1.590 25484 956 1 3 . 1 1 4 4 SER H H 4 8.150 8.150 8.549 -0.399 25484 957 1 3 . 1 1 5 5 PRO HA H 5 4.480 4.480 4.448 0.032 25484 958 1 3 . 1 1 5 5 PRO C C 5 178.180 178.180 176.316 1.864 25484 959 1 3 . 1 1 5 5 PRO CA C 5 64.040 64.040 63.543 0.497 25484 960 1 3 . 1 1 5 5 PRO CB C 5 32.120 32.120 31.998 0.122 25484 961 1 3 . 1 1 6 6 GLY N N 6 108.600 108.600 105.874 2.726 25484 962 1 3 . 1 1 6 6 GLY C C 6 174.930 174.930 174.383 0.547 25484 963 1 3 . 1 1 6 6 GLY CA C 6 45.750 45.750 44.562 1.188 25484 964 1 3 . 1 1 6 6 GLY H H 6 8.470 8.470 7.509 0.961 25484 965 1 3 . 1 1 7 7 ASP N N 7 121.260 121.260 122.911 -1.651 25484 966 1 3 . 1 1 7 7 ASP HA H 7 4.660 4.660 4.402 0.258 25484 967 1 3 . 1 1 7 7 ASP C C 7 177.580 177.580 177.456 0.124 25484 968 1 3 . 1 1 7 7 ASP CA C 7 55.200 55.200 57.289 -2.089 25484 969 1 3 . 1 1 7 7 ASP CB C 7 41.400 41.400 41.538 -0.138 25484 970 1 3 . 1 1 7 7 ASP H H 7 8.130 8.130 8.604 -0.474 25484 971 1 3 . 1 1 8 8 SER N N 8 116.818 116.818 113.829 2.989 25484 972 1 3 . 1 1 8 8 SER HA H 8 4.340 4.340 4.270 0.070 25484 973 1 3 . 1 1 8 8 SER C C 8 176.310 176.310 176.729 -0.419 25484 974 1 3 . 1 1 8 8 SER CA C 8 60.050 60.050 61.049 -0.999 25484 975 1 3 . 1 1 8 8 SER CB C 8 63.190 63.190 63.043 0.147 25484 976 1 3 . 1 1 8 8 SER H H 8 8.372 8.372 8.439 -0.067 25484 977 1 3 . 1 1 9 9 ARG N N 9 123.150 123.150 121.280 1.870 25484 978 1 3 . 1 1 9 9 ARG HA H 9 4.260 4.260 4.126 0.134 25484 979 1 3 . 1 1 9 9 ARG C C 9 177.710 177.710 178.184 -0.474 25484 980 1 3 . 1 1 9 9 ARG CA C 9 58.050 58.050 58.621 -0.571 25484 981 1 3 . 1 1 9 9 ARG CB C 9 30.350 30.350 29.976 0.374 25484 982 1 3 . 1 1 9 9 ARG H H 9 8.308 8.308 7.582 0.726 25484 983 1 3 . 1 1 10 10 ARG N N 10 119.940 119.940 120.327 -0.387 25484 984 1 3 . 1 1 10 10 ARG HA H 10 4.110 4.110 4.061 0.049 25484 985 1 3 . 1 1 10 10 ARG C C 10 178.180 178.180 178.658 -0.478 25484 986 1 3 . 1 1 10 10 ARG CA C 10 58.420 58.420 59.644 -1.224 25484 987 1 3 . 1 1 10 10 ARG CB C 10 30.260 30.260 30.052 0.208 25484 988 1 3 . 1 1 10 10 ARG H H 10 8.075 8.075 7.840 0.235 25484 989 1 3 . 1 1 11 11 LEU N N 11 121.060 121.060 118.311 2.749 25484 990 1 3 . 1 1 11 11 LEU HA H 11 4.225 4.225 4.044 0.181 25484 991 1 3 . 1 1 11 11 LEU C C 11 179.950 179.950 179.111 0.839 25484 992 1 3 . 1 1 11 11 LEU CA C 11 57.450 57.450 58.546 -1.096 25484 993 1 3 . 1 1 11 11 LEU CB C 11 41.910 41.910 41.706 0.204 25484 994 1 3 . 1 1 11 11 LEU H H 11 8.160 8.160 8.811 -0.651 25484 995 1 3 . 1 1 12 12 SER N N 12 116.470 116.470 115.369 1.101 25484 996 1 3 . 1 1 12 12 SER HA H 12 4.317 4.317 4.190 0.127 25484 997 1 3 . 1 1 12 12 SER C C 12 176.960 176.960 176.690 0.270 25484 998 1 3 . 1 1 12 12 SER CA C 12 60.760 60.760 61.709 -0.949 25484 999 1 3 . 1 1 12 12 SER CB C 12 63.350 63.350 62.958 0.392 25484 1000 1 3 . 1 1 12 12 SER H H 12 8.179 8.179 7.822 0.357 25484 1001 1 3 . 1 1 13 13 ILE N N 13 123.740 123.740 121.569 2.171 25484 1002 1 3 . 1 1 13 13 ILE HA H 13 3.690 3.690 3.650 0.040 25484 1003 1 3 . 1 1 13 13 ILE C C 13 177.660 177.660 177.550 0.110 25484 1004 1 3 . 1 1 13 13 ILE CA C 13 64.930 64.930 64.743 0.187 25484 1005 1 3 . 1 1 13 13 ILE CB C 13 37.650 37.650 37.105 0.546 25484 1006 1 3 . 1 1 13 13 ILE H H 13 8.130 8.130 8.275 -0.145 25484 1007 1 3 . 1 1 14 14 GLN N N 14 119.220 119.220 121.256 -2.036 25484 1008 1 3 . 1 1 14 14 GLN HA H 14 4.040 4.040 3.808 0.232 25484 1009 1 3 . 1 1 14 14 GLN C C 14 179.490 179.490 178.293 1.197 25484 1010 1 3 . 1 1 14 14 GLN CA C 14 59.750 59.750 60.059 -0.309 25484 1011 1 3 . 1 1 14 14 GLN CB C 14 27.730 27.730 28.601 -0.871 25484 1012 1 3 . 1 1 14 14 GLN H H 14 8.113 8.113 9.063 -0.950 25484 1013 1 3 . 1 1 15 15 ARG N N 15 119.160 119.160 118.339 0.821 25484 1014 1 3 . 1 1 15 15 ARG HA H 15 4.150 4.150 4.295 -0.145 25484 1015 1 3 . 1 1 15 15 ARG C C 15 179.460 179.460 178.371 1.089 25484 1016 1 3 . 1 1 15 15 ARG CA C 15 59.150 59.150 59.157 -0.007 25484 1017 1 3 . 1 1 15 15 ARG CB C 15 30.090 30.090 30.052 0.038 25484 1018 1 3 . 1 1 15 15 ARG H H 15 8.200 8.200 8.155 0.045 25484 1019 1 3 . 1 1 16 16 ALA N N 16 124.140 124.140 124.184 -0.044 25484 1020 1 3 . 1 1 16 16 ALA HA H 16 3.990 3.990 4.115 -0.125 25484 1021 1 3 . 1 1 16 16 ALA C C 16 180.230 180.230 179.742 0.488 25484 1022 1 3 . 1 1 16 16 ALA CA C 16 55.550 55.550 54.955 0.595 25484 1023 1 3 . 1 1 16 16 ALA CB C 16 18.750 18.750 18.442 0.308 25484 1024 1 3 . 1 1 16 16 ALA H H 16 8.071 8.071 7.581 0.490 25484 1025 1 3 . 1 1 17 17 ILE N N 17 118.180 118.180 119.728 -1.548 25484 1026 1 3 . 1 1 17 17 ILE HA H 17 3.712 3.712 3.409 0.303 25484 1027 1 3 . 1 1 17 17 ILE C C 17 178.210 178.210 177.938 0.272 25484 1028 1 3 . 1 1 17 17 ILE CA C 17 64.870 64.870 66.027 -1.157 25484 1029 1 3 . 1 1 17 17 ILE CB C 17 37.640 37.640 37.734 -0.094 25484 1030 1 3 . 1 1 17 17 ILE H H 17 8.534 8.534 8.771 -0.237 25484 1031 1 3 . 1 1 18 18 GLN N N 18 118.960 118.960 119.135 -0.175 25484 1032 1 3 . 1 1 18 18 GLN HA H 18 4.134 4.134 3.886 0.248 25484 1033 1 3 . 1 1 18 18 GLN C C 18 180.050 180.050 178.950 1.100 25484 1034 1 3 . 1 1 18 18 GLN CA C 18 59.340 59.340 59.509 -0.169 25484 1035 1 3 . 1 1 18 18 GLN CB C 18 28.030 28.030 28.450 -0.420 25484 1036 1 3 . 1 1 18 18 GLN H H 18 8.200 8.200 8.764 -0.564 25484 1037 1 3 . 1 1 19 19 SER N N 19 116.320 116.320 116.367 -0.047 25484 1038 1 3 . 1 1 19 19 SER HA H 19 4.388 4.388 4.159 0.229 25484 1039 1 3 . 1 1 19 19 SER C C 19 176.460 176.460 176.300 0.160 25484 1040 1 3 . 1 1 19 19 SER CA C 19 62.250 62.250 62.408 -0.158 25484 1041 1 3 . 1 1 19 19 SER CB C 19 63.270 63.270 63.106 0.164 25484 1042 1 3 . 1 1 19 19 SER H H 19 8.190 8.190 8.362 -0.172 25484 1043 1 3 . 1 1 20 20 LEU N N 20 125.540 125.540 124.150 1.390 25484 1044 1 3 . 1 1 20 20 LEU HA H 20 4.075 4.075 3.988 0.087 25484 1045 1 3 . 1 1 20 20 LEU C C 20 177.640 177.640 178.418 -0.778 25484 1046 1 3 . 1 1 20 20 LEU CA C 20 58.750 58.750 58.470 0.280 25484 1047 1 3 . 1 1 20 20 LEU CB C 20 42.390 42.390 41.915 0.475 25484 1048 1 3 . 1 1 20 20 LEU H H 20 8.290 8.290 8.141 0.149 25484 1049 1 3 . 1 1 21 21 VAL N N 21 118.690 118.690 118.545 0.145 25484 1050 1 3 . 1 1 21 21 VAL HA H 21 3.356 3.356 3.517 -0.161 25484 1051 1 3 . 1 1 21 21 VAL C C 21 178.770 178.770 177.650 1.120 25484 1052 1 3 . 1 1 21 21 VAL CA C 21 66.850 66.850 67.430 -0.580 25484 1053 1 3 . 1 1 21 21 VAL CB C 21 31.450 31.450 31.398 0.052 25484 1054 1 3 . 1 1 21 21 VAL H H 21 8.532 8.532 8.950 -0.418 25484 1055 1 3 . 1 1 22 22 HIS N N 22 116.230 116.230 119.715 -3.485 25484 1056 1 3 . 1 1 22 22 HIS HA H 22 4.230 4.230 4.190 0.040 25484 1057 1 3 . 1 1 22 22 HIS C C 22 178.420 178.420 176.983 1.437 25484 1058 1 3 . 1 1 22 22 HIS CA C 22 59.980 59.980 60.033 -0.054 25484 1059 1 3 . 1 1 22 22 HIS CB C 22 27.830 27.830 29.986 -2.156 25484 1060 1 3 . 1 1 22 22 HIS H H 22 7.980 7.980 7.963 0.017 25484 1061 1 3 . 1 1 23 23 ALA N N 23 121.520 121.520 120.417 1.103 25484 1062 1 3 . 1 1 23 23 ALA HA H 23 4.225 4.225 4.222 0.003 25484 1063 1 3 . 1 1 23 23 ALA C C 23 179.540 179.540 178.989 0.551 25484 1064 1 3 . 1 1 23 23 ALA CA C 23 55.250 55.250 54.507 0.743 25484 1065 1 3 . 1 1 23 23 ALA CB C 23 19.550 19.550 18.370 1.179 25484 1066 1 3 . 1 1 23 23 ALA H H 23 8.640 8.640 8.568 0.072 25484 1067 1 3 . 1 1 24 24 ALA N N 24 116.860 116.860 121.040 -4.180 25484 1068 1 3 . 1 1 24 24 ALA HA H 24 4.100 4.100 4.075 0.025 25484 1069 1 3 . 1 1 24 24 ALA C C 24 178.130 178.130 178.834 -0.704 25484 1070 1 3 . 1 1 24 24 ALA CA C 24 54.090 54.090 54.299 -0.209 25484 1071 1 3 . 1 1 24 24 ALA CB C 24 18.750 18.750 18.877 -0.127 25484 1072 1 3 . 1 1 24 24 ALA H H 24 8.260 8.260 7.943 0.317 25484 1073 1 3 . 1 1 25 25 GLN N N 25 112.450 112.450 117.494 -5.044 25484 1074 1 3 . 1 1 25 25 GLN HA H 25 4.495 4.495 4.178 0.317 25484 1075 1 3 . 1 1 25 25 GLN C C 25 174.940 174.940 176.053 -1.113 25484 1076 1 3 . 1 1 25 25 GLN CA C 25 54.650 54.650 57.119 -2.469 25484 1077 1 3 . 1 1 25 25 GLN CB C 25 30.650 30.650 30.451 0.199 25484 1078 1 3 . 1 1 25 25 GLN H H 25 7.260 7.260 8.247 -0.987 25484 1079 1 3 . 1 1 26 26 CYS N N 26 124.510 124.510 119.711 4.799 25484 1080 1 3 . 1 1 26 26 CYS HA H 26 3.915 3.915 4.423 -0.508 25484 1081 1 3 . 1 1 26 26 CYS C C 26 176.690 176.690 173.557 3.133 25484 1082 1 3 . 1 1 26 26 CYS CA C 26 60.980 60.980 57.752 3.228 25484 1083 1 3 . 1 1 26 26 CYS CB C 26 29.350 29.350 28.454 0.896 25484 1084 1 3 . 1 1 26 26 CYS H H 26 7.365 7.365 8.383 -1.018 25484 1085 1 3 . 1 1 27 27 ARG N N 27 129.870 129.870 127.923 1.947 25484 1086 1 3 . 1 1 27 27 ARG HA H 27 4.635 4.635 4.496 0.139 25484 1087 1 3 . 1 1 27 27 ARG C C 27 175.660 175.660 174.325 1.335 25484 1088 1 3 . 1 1 27 27 ARG CA C 27 54.550 54.550 54.691 -0.141 25484 1089 1 3 . 1 1 27 27 ARG CB C 27 30.350 30.350 28.738 1.612 25484 1090 1 3 . 1 1 27 27 ARG H H 27 8.880 8.880 8.475 0.405 25484 1091 1 3 . 1 1 28 28 ASN N N 28 120.810 120.810 122.422 -1.612 25484 1092 1 3 . 1 1 28 28 ASN HA H 28 4.870 4.870 4.824 0.046 25484 1093 1 3 . 1 1 28 28 ASN C C 28 176.120 176.120 175.148 0.972 25484 1094 1 3 . 1 1 28 28 ASN CA C 28 51.930 51.930 53.293 -1.363 25484 1095 1 3 . 1 1 28 28 ASN CB C 28 39.060 39.060 40.113 -1.053 25484 1096 1 3 . 1 1 28 28 ASN H H 28 7.980 7.980 8.139 -0.159 25484 1097 1 3 . 1 1 29 29 ALA N N 29 130.470 130.470 126.615 3.855 25484 1098 1 3 . 1 1 29 29 ALA HA H 29 4.133 4.133 4.180 -0.047 25484 1099 1 3 . 1 1 29 29 ALA C C 29 178.380 178.380 177.006 1.374 25484 1100 1 3 . 1 1 29 29 ALA CA C 29 54.290 54.290 54.099 0.191 25484 1101 1 3 . 1 1 29 29 ALA CB C 29 18.370 18.370 19.108 -0.738 25484 1102 1 3 . 1 1 29 29 ALA H H 29 9.134 9.134 8.567 0.567 25484 1103 1 3 . 1 1 30 30 ASN N N 30 114.590 114.590 113.922 0.668 25484 1104 1 3 . 1 1 30 30 ASN HA H 30 4.875 4.875 4.899 -0.024 25484 1105 1 3 . 1 1 30 30 ASN C C 30 174.530 174.530 174.786 -0.256 25484 1106 1 3 . 1 1 30 30 ASN CA C 30 51.930 51.930 52.321 -0.391 25484 1107 1 3 . 1 1 30 30 ASN CB C 30 38.910 38.910 39.548 -0.638 25484 1108 1 3 . 1 1 30 30 ASN H H 30 8.114 8.114 7.868 0.246 25484 1109 1 3 . 1 1 31 31 CYS N N 31 123.270 123.270 121.651 1.619 25484 1110 1 3 . 1 1 31 31 CYS HA H 31 4.050 4.050 4.336 -0.286 25484 1111 1 3 . 1 1 31 31 CYS C C 31 177.170 177.170 174.241 2.929 25484 1112 1 3 . 1 1 31 31 CYS CA C 31 61.880 61.880 60.223 1.657 25484 1113 1 3 . 1 1 31 31 CYS CB C 31 30.010 30.010 28.803 1.206 25484 1114 1 3 . 1 1 31 31 CYS H H 31 7.210 7.210 7.601 -0.391 25484 1115 1 3 . 1 1 32 32 SER N N 32 124.300 124.300 120.767 3.533 25484 1116 1 3 . 1 1 32 32 SER HA H 32 4.609 4.609 4.654 -0.045 25484 1117 1 3 . 1 1 32 32 SER C C 32 175.020 175.020 173.332 1.688 25484 1118 1 3 . 1 1 32 32 SER CA C 32 58.010 58.010 57.125 0.885 25484 1119 1 3 . 1 1 32 32 SER CB C 32 64.120 64.120 62.664 1.456 25484 1120 1 3 . 1 1 32 32 SER H H 32 8.767 8.767 8.372 0.395 25484 1121 1 3 . 1 1 33 33 LEU N N 33 128.860 128.860 129.343 -0.483 25484 1122 1 3 . 1 1 33 33 LEU HA H 33 4.538 4.538 4.928 -0.390 25484 1123 1 3 . 1 1 33 33 LEU C C 33 177.230 177.230 174.803 2.427 25484 1124 1 3 . 1 1 33 33 LEU CA C 33 54.450 54.450 51.093 3.357 25484 1125 1 3 . 1 1 33 33 LEU CB C 33 40.970 40.970 42.645 -1.675 25484 1126 1 3 . 1 1 33 33 LEU H H 33 8.546 8.546 7.567 0.979 25484 1127 1 3 . 1 1 34 34 PRO HA H 34 4.370 4.370 4.352 0.018 25484 1128 1 3 . 1 1 34 34 PRO C C 34 178.640 178.640 178.616 0.024 25484 1129 1 3 . 1 1 34 34 PRO CA C 34 65.530 65.530 65.554 -0.024 25484 1130 1 3 . 1 1 34 34 PRO CB C 34 31.970 31.970 31.905 0.065 25484 1131 1 3 . 1 1 35 35 SER N N 35 111.940 111.940 113.892 -1.952 25484 1132 1 3 . 1 1 35 35 SER HA H 35 4.127 4.127 4.380 -0.253 25484 1133 1 3 . 1 1 35 35 SER C C 35 174.750 174.750 176.197 -1.447 25484 1134 1 3 . 1 1 35 35 SER CA C 35 60.100 60.100 61.236 -1.136 25484 1135 1 3 . 1 1 35 35 SER CB C 35 62.910 62.910 62.847 0.063 25484 1136 1 3 . 1 1 35 35 SER H H 35 8.350 8.350 8.576 -0.226 25484 1137 1 3 . 1 1 36 36 CYS N N 36 125.790 125.790 122.481 3.309 25484 1138 1 3 . 1 1 36 36 CYS HA H 36 4.215 4.215 4.043 0.172 25484 1139 1 3 . 1 1 36 36 CYS C C 36 177.070 177.070 176.401 0.669 25484 1140 1 3 . 1 1 36 36 CYS CA C 36 63.900 63.900 62.651 1.249 25484 1141 1 3 . 1 1 36 36 CYS CB C 36 29.650 29.650 26.758 2.892 25484 1142 1 3 . 1 1 36 36 CYS H H 36 7.490 7.490 8.082 -0.592 25484 1143 1 3 . 1 1 37 37 GLN N N 37 115.860 115.860 118.835 -2.975 25484 1144 1 3 . 1 1 37 37 GLN HA H 37 4.010 4.010 3.855 0.155 25484 1145 1 3 . 1 1 37 37 GLN C C 37 179.690 179.690 178.265 1.425 25484 1146 1 3 . 1 1 37 37 GLN CA C 37 59.980 59.980 59.191 0.789 25484 1147 1 3 . 1 1 37 37 GLN CB C 37 27.820 27.820 28.195 -0.375 25484 1148 1 3 . 1 1 37 37 GLN H H 37 8.170 8.170 8.658 -0.488 25484 1149 1 3 . 1 1 38 38 LYS N N 38 117.470 117.470 119.896 -2.426 25484 1150 1 3 . 1 1 38 38 LYS HA H 38 4.060 4.060 3.998 0.062 25484 1151 1 3 . 1 1 38 38 LYS C C 38 179.230 179.230 179.364 -0.134 25484 1152 1 3 . 1 1 38 38 LYS CA C 38 59.450 59.450 59.269 0.181 25484 1153 1 3 . 1 1 38 38 LYS CB C 38 32.650 32.650 32.176 0.474 25484 1154 1 3 . 1 1 38 38 LYS H H 38 7.920 7.920 7.887 0.033 25484 1155 1 3 . 1 1 39 39 MET N N 39 118.050 118.050 117.821 0.229 25484 1156 1 3 . 1 1 39 39 MET HA H 39 4.559 4.559 4.151 0.408 25484 1157 1 3 . 1 1 39 39 MET C C 39 179.720 179.720 178.444 1.276 25484 1158 1 3 . 1 1 39 39 MET CA C 39 57.250 57.250 58.162 -0.912 25484 1159 1 3 . 1 1 39 39 MET CB C 39 32.550 32.550 32.073 0.477 25484 1160 1 3 . 1 1 39 39 MET H H 39 8.370 8.370 7.709 0.661 25484 1161 1 3 . 1 1 40 40 LYS N N 40 121.630 121.630 120.788 0.842 25484 1162 1 3 . 1 1 40 40 LYS HA H 40 3.840 3.840 4.140 -0.300 25484 1163 1 3 . 1 1 40 40 LYS C C 40 180.150 180.150 179.182 0.968 25484 1164 1 3 . 1 1 40 40 LYS CA C 40 61.520 61.520 59.975 1.545 25484 1165 1 3 . 1 1 40 40 LYS CB C 40 32.620 32.620 32.320 0.300 25484 1166 1 3 . 1 1 40 40 LYS H H 40 9.490 9.490 8.131 1.359 25484 1167 1 3 . 1 1 41 41 ARG N N 41 118.300 118.300 118.606 -0.306 25484 1168 1 3 . 1 1 41 41 ARG HA H 41 4.180 4.180 4.131 0.049 25484 1169 1 3 . 1 1 41 41 ARG C C 41 180.080 180.080 178.075 2.005 25484 1170 1 3 . 1 1 41 41 ARG CA C 41 59.750 59.750 58.858 0.892 25484 1171 1 3 . 1 1 41 41 ARG CB C 41 30.010 30.010 30.182 -0.172 25484 1172 1 3 . 1 1 41 41 ARG H H 41 7.610 7.610 8.432 -0.822 25484 1173 1 3 . 1 1 42 42 VAL N N 42 121.750 121.750 120.199 1.551 25484 1174 1 3 . 1 1 42 42 VAL HA H 42 3.745 3.745 3.986 -0.241 25484 1175 1 3 . 1 1 42 42 VAL C C 42 178.130 178.130 177.597 0.533 25484 1176 1 3 . 1 1 42 42 VAL CA C 42 66.760 66.760 65.235 1.525 25484 1177 1 3 . 1 1 42 42 VAL CB C 42 31.520 31.520 32.438 -0.918 25484 1178 1 3 . 1 1 42 42 VAL H H 42 7.760 7.760 7.813 -0.053 25484 1179 1 3 . 1 1 43 43 VAL N N 43 120.580 120.580 122.034 -1.454 25484 1180 1 3 . 1 1 43 43 VAL HA H 43 3.531 3.531 3.490 0.041 25484 1181 1 3 . 1 1 43 43 VAL C C 43 179.310 179.310 178.152 1.158 25484 1182 1 3 . 1 1 43 43 VAL CA C 43 67.120 67.120 67.448 -0.328 25484 1183 1 3 . 1 1 43 43 VAL CB C 43 31.510 31.510 31.481 0.029 25484 1184 1 3 . 1 1 43 43 VAL H H 43 8.500 8.500 8.483 0.017 25484 1185 1 3 . 1 1 44 44 GLN N N 44 119.280 119.280 116.575 2.705 25484 1186 1 3 . 1 1 44 44 GLN HA H 44 4.010 4.010 4.086 -0.076 25484 1187 1 3 . 1 1 44 44 GLN C C 44 179.330 179.330 178.388 0.942 25484 1188 1 3 . 1 1 44 44 GLN CA C 44 59.060 59.060 58.539 0.520 25484 1189 1 3 . 1 1 44 44 GLN CB C 44 28.030 28.030 28.068 -0.038 25484 1190 1 3 . 1 1 44 44 GLN H H 44 8.400 8.400 8.672 -0.272 25484 1191 1 3 . 1 1 45 45 HIS N N 45 119.160 119.160 120.136 -0.976 25484 1192 1 3 . 1 1 45 45 HIS HA H 45 4.283 4.283 4.317 -0.034 25484 1193 1 3 . 1 1 45 45 HIS C C 45 178.250 178.250 177.124 1.126 25484 1194 1 3 . 1 1 45 45 HIS CA C 45 59.950 59.950 59.935 0.014 25484 1195 1 3 . 1 1 45 45 HIS CB C 45 27.150 27.150 29.935 -2.785 25484 1196 1 3 . 1 1 45 45 HIS H H 45 8.190 8.190 7.955 0.235 25484 1197 1 3 . 1 1 46 46 THR N N 46 111.110 111.110 114.576 -3.466 25484 1198 1 3 . 1 1 46 46 THR HA H 46 3.859 3.859 4.152 -0.293 25484 1199 1 3 . 1 1 46 46 THR C C 46 176.350 176.350 177.624 -1.274 25484 1200 1 3 . 1 1 46 46 THR CA C 46 65.670 65.670 66.115 -0.445 25484 1201 1 3 . 1 1 46 46 THR CB C 46 69.190 69.190 68.836 0.354 25484 1202 1 3 . 1 1 46 46 THR H H 46 7.980 7.980 8.270 -0.290 25484 1203 1 3 . 1 1 47 47 LYS N N 47 120.510 120.510 120.000 0.510 25484 1204 1 3 . 1 1 47 47 LYS HA H 47 4.090 4.090 4.130 -0.040 25484 1205 1 3 . 1 1 47 47 LYS C C 47 178.150 178.150 179.167 -1.017 25484 1206 1 3 . 1 1 47 47 LYS CA C 47 58.750 58.750 58.831 -0.081 25484 1207 1 3 . 1 1 47 47 LYS CB C 47 32.360 32.360 32.460 -0.100 25484 1208 1 3 . 1 1 47 47 LYS H H 47 7.410 7.410 7.902 -0.492 25484 1209 1 3 . 1 1 48 48 GLY N N 48 104.210 104.210 105.124 -0.914 25484 1210 1 3 . 1 1 48 48 GLY C C 48 174.220 174.220 174.817 -0.597 25484 1211 1 3 . 1 1 48 48 GLY CA C 48 44.753 44.753 45.331 -0.578 25484 1212 1 3 . 1 1 48 48 GLY H H 48 7.180 7.180 7.832 -0.652 25484 1213 1 3 . 1 1 49 49 CYS N N 49 123.560 123.560 121.490 2.070 25484 1214 1 3 . 1 1 49 49 CYS HA H 49 4.010 4.010 4.511 -0.501 25484 1215 1 3 . 1 1 49 49 CYS C C 49 177.230 177.230 174.382 2.848 25484 1216 1 3 . 1 1 49 49 CYS CA C 49 61.230 61.230 57.744 3.486 25484 1217 1 3 . 1 1 49 49 CYS CB C 49 29.850 29.850 26.746 3.104 25484 1218 1 3 . 1 1 49 49 CYS H H 49 6.981 6.981 7.937 -0.956 25484 1219 1 3 . 1 1 50 50 LYS N N 50 128.350 128.350 123.027 5.323 25484 1220 1 3 . 1 1 50 50 LYS HA H 50 4.524 4.524 4.084 0.440 25484 1221 1 3 . 1 1 50 50 LYS C C 50 178.040 178.040 177.514 0.526 25484 1222 1 3 . 1 1 50 50 LYS CA C 50 56.750 56.750 57.631 -0.881 25484 1223 1 3 . 1 1 50 50 LYS CB C 50 32.950 32.950 32.115 0.835 25484 1224 1 3 . 1 1 50 50 LYS H H 50 8.999 8.999 8.082 0.917 25484 1225 1 3 . 1 1 51 51 ARG N N 51 122.550 122.550 118.061 4.489 25484 1226 1 3 . 1 1 51 51 ARG HA H 51 4.428 4.428 4.086 0.342 25484 1227 1 3 . 1 1 51 51 ARG C C 51 177.410 177.410 177.616 -0.206 25484 1228 1 3 . 1 1 51 51 ARG CA C 51 57.750 57.750 57.314 0.436 25484 1229 1 3 . 1 1 51 51 ARG CB C 51 31.860 31.860 29.105 2.755 25484 1230 1 3 . 1 1 51 51 ARG H H 51 8.558 8.558 8.411 0.147 25484 1231 1 3 . 1 1 52 52 LYS N N 52 119.040 119.040 119.767 -0.727 25484 1232 1 3 . 1 1 52 52 LYS HA H 52 4.534 4.534 4.054 0.480 25484 1233 1 3 . 1 1 52 52 LYS C C 52 177.610 177.610 178.808 -1.198 25484 1234 1 3 . 1 1 52 52 LYS CA C 52 57.970 57.970 59.847 -1.877 25484 1235 1 3 . 1 1 52 52 LYS CB C 52 32.350 32.350 32.019 0.331 25484 1236 1 3 . 1 1 52 52 LYS H H 52 8.490 8.490 8.155 0.335 25484 1237 1 3 . 1 1 53 53 THR N N 53 113.034 113.034 109.018 4.016 25484 1238 1 3 . 1 1 53 53 THR HA H 53 4.160 4.160 4.252 -0.092 25484 1239 1 3 . 1 1 53 53 THR C C 53 175.610 175.610 175.621 -0.011 25484 1240 1 3 . 1 1 53 53 THR CA C 53 64.050 64.050 64.173 -0.123 25484 1241 1 3 . 1 1 53 53 THR CB C 53 69.120 69.120 68.307 0.813 25484 1242 1 3 . 1 1 53 53 THR H H 53 7.760 7.760 8.179 -0.419 25484 1243 1 3 . 1 1 54 54 ASN N N 54 119.860 119.860 119.875 -0.015 25484 1244 1 3 . 1 1 54 54 ASN HA H 54 4.920 4.920 4.527 0.393 25484 1245 1 3 . 1 1 54 54 ASN C C 54 176.330 176.330 176.524 -0.194 25484 1246 1 3 . 1 1 54 54 ASN CA C 54 53.720 53.720 55.533 -1.813 25484 1247 1 3 . 1 1 54 54 ASN CB C 54 38.350 38.350 39.125 -0.775 25484 1248 1 3 . 1 1 54 54 ASN H H 54 8.290 8.290 7.750 0.540 25484 1249 1 3 . 1 1 55 55 GLY N N 55 107.570 107.570 105.906 1.664 25484 1250 1 3 . 1 1 55 55 GLY C C 55 175.660 175.660 174.760 0.900 25484 1251 1 3 . 1 1 55 55 GLY CA C 55 45.938 45.938 45.113 0.825 25484 1252 1 3 . 1 1 55 55 GLY H H 55 8.006 8.006 7.799 0.207 25484 1253 1 3 . 1 1 56 56 GLY N N 56 107.290 107.290 107.759 -0.469 25484 1254 1 3 . 1 1 56 56 GLY C C 56 173.710 173.710 173.927 -0.217 25484 1255 1 3 . 1 1 56 56 GLY CA C 56 45.570 45.570 45.338 0.232 25484 1256 1 3 . 1 1 56 56 GLY H H 56 7.840 7.840 7.683 0.157 25484 1257 1 3 . 1 1 57 57 CYS N N 57 122.730 122.730 121.692 1.038 25484 1258 1 3 . 1 1 57 57 CYS HA H 57 4.505 4.505 4.831 -0.326 25484 1259 1 3 . 1 1 57 57 CYS C C 57 175.090 175.090 173.854 1.236 25484 1260 1 3 . 1 1 57 57 CYS CA C 57 55.950 55.950 55.716 0.234 25484 1261 1 3 . 1 1 57 57 CYS CB C 57 30.760 30.760 27.266 3.494 25484 1262 1 3 . 1 1 57 57 CYS H H 57 8.048 8.048 8.034 0.014 25484 1263 1 3 . 1 1 58 58 PRO HA H 58 4.338 4.338 4.707 -0.369 25484 1264 1 3 . 1 1 58 58 PRO CA C 58 65.050 65.050 63.019 2.031 25484 1265 1 3 . 1 1 58 58 PRO CB C 58 32.620 32.620 30.313 2.307 25484 1266 1 3 . 1 1 59 59 ILE N N 59 121.256 121.256 122.409 -1.153 25484 1267 1 3 . 1 1 59 59 ILE HA H 59 3.818 3.818 4.102 -0.284 25484 1268 1 3 . 1 1 59 59 ILE C C 59 178.820 178.820 176.662 2.158 25484 1269 1 3 . 1 1 59 59 ILE CA C 59 64.590 64.590 63.254 1.336 25484 1270 1 3 . 1 1 59 59 ILE CB C 59 38.890 38.890 39.216 -0.326 25484 1271 1 3 . 1 1 59 59 ILE H H 59 7.900 7.900 8.634 -0.734 25484 1272 1 3 . 1 1 60 60 CYS N N 60 123.970 123.970 119.496 4.474 25484 1273 1 3 . 1 1 60 60 CYS HA H 60 4.117 4.117 4.043 0.074 25484 1274 1 3 . 1 1 60 60 CYS C C 60 178.110 178.110 176.497 1.613 25484 1275 1 3 . 1 1 60 60 CYS CA C 60 66.090 66.090 63.995 2.095 25484 1276 1 3 . 1 1 60 60 CYS CB C 60 29.150 29.150 26.892 2.258 25484 1277 1 3 . 1 1 60 60 CYS H H 60 8.914 8.914 8.577 0.337 25484 1278 1 3 . 1 1 61 61 LYS N N 61 117.210 117.210 119.415 -2.205 25484 1279 1 3 . 1 1 61 61 LYS HA H 61 3.910 3.910 4.063 -0.153 25484 1280 1 3 . 1 1 61 61 LYS C C 61 179.460 179.460 178.180 1.280 25484 1281 1 3 . 1 1 61 61 LYS CA C 61 59.970 59.970 59.413 0.557 25484 1282 1 3 . 1 1 61 61 LYS CB C 61 32.650 32.650 32.354 0.296 25484 1283 1 3 . 1 1 61 61 LYS H H 61 8.090 8.090 8.146 -0.056 25484 1284 1 3 . 1 1 62 62 GLN N N 62 117.780 117.780 118.914 -1.134 25484 1285 1 3 . 1 1 62 62 GLN HA H 62 4.203 4.203 4.054 0.149 25484 1286 1 3 . 1 1 62 62 GLN C C 62 178.564 178.564 178.683 -0.119 25484 1287 1 3 . 1 1 62 62 GLN CA C 62 58.450 58.450 58.081 0.369 25484 1288 1 3 . 1 1 62 62 GLN CB C 62 29.140 29.140 28.776 0.364 25484 1289 1 3 . 1 1 62 62 GLN H H 62 7.360 7.360 7.542 -0.182 25484 1290 1 3 . 1 1 63 63 LEU N N 63 119.930 119.930 123.325 -3.395 25484 1291 1 3 . 1 1 63 63 LEU HA H 63 4.218 4.218 4.038 0.180 25484 1292 1 3 . 1 1 63 63 LEU C C 63 179.440 179.440 177.748 1.692 25484 1293 1 3 . 1 1 63 63 LEU CA C 63 58.550 58.550 57.657 0.893 25484 1294 1 3 . 1 1 63 63 LEU CB C 63 41.910 41.910 41.712 0.198 25484 1295 1 3 . 1 1 63 63 LEU H H 63 8.075 8.075 8.607 -0.532 25484 1296 1 3 . 1 1 64 64 ILE N N 64 120.280 120.280 120.015 0.265 25484 1297 1 3 . 1 1 64 64 ILE HA H 64 3.600 3.600 3.683 -0.083 25484 1298 1 3 . 1 1 64 64 ILE C C 64 177.950 177.950 178.216 -0.266 25484 1299 1 3 . 1 1 64 64 ILE CA C 64 65.250 65.250 65.524 -0.274 25484 1300 1 3 . 1 1 64 64 ILE CB C 64 37.320 37.320 37.589 -0.269 25484 1301 1 3 . 1 1 64 64 ILE H H 64 8.466 8.466 8.644 -0.178 25484 1302 1 3 . 1 1 65 65 ALA N N 65 122.590 122.590 121.442 1.148 25484 1303 1 3 . 1 1 65 65 ALA HA H 65 4.185 4.185 2.852 1.333 25484 1304 1 3 . 1 1 65 65 ALA C C 65 181.010 181.010 179.335 1.675 25484 1305 1 3 . 1 1 65 65 ALA CA C 65 55.220 55.220 54.663 0.557 25484 1306 1 3 . 1 1 65 65 ALA CB C 65 18.450 18.450 17.921 0.530 25484 1307 1 3 . 1 1 65 65 ALA H H 65 7.496 7.496 8.094 -0.598 25484 1308 1 3 . 1 1 66 66 LEU N N 66 115.599 115.599 120.528 -4.929 25484 1309 1 3 . 1 1 66 66 LEU HA H 66 4.100 4.100 4.022 0.078 25484 1310 1 3 . 1 1 66 66 LEU C C 66 179.380 179.380 178.833 0.547 25484 1311 1 3 . 1 1 66 66 LEU CA C 66 57.930 57.930 57.602 0.328 25484 1312 1 3 . 1 1 66 66 LEU CB C 66 41.410 41.410 41.634 -0.224 25484 1313 1 3 . 1 1 66 66 LEU H H 66 8.139 8.139 7.669 0.470 25484 1314 1 3 . 1 1 67 67 ALA N N 67 122.670 122.670 120.977 1.693 25484 1315 1 3 . 1 1 67 67 ALA HA H 67 3.958 3.958 4.013 -0.055 25484 1316 1 3 . 1 1 67 67 ALA C C 67 180.060 180.060 179.553 0.507 25484 1317 1 3 . 1 1 67 67 ALA CA C 67 55.750 55.750 55.249 0.501 25484 1318 1 3 . 1 1 67 67 ALA CB C 67 19.220 19.220 18.194 1.026 25484 1319 1 3 . 1 1 67 67 ALA H H 67 8.770 8.770 8.940 -0.170 25484 1320 1 3 . 1 1 68 68 ALA N N 68 120.580 120.580 120.691 -0.111 25484 1321 1 3 . 1 1 68 68 ALA HA H 68 4.142 4.142 4.161 -0.019 25484 1322 1 3 . 1 1 68 68 ALA C C 68 179.540 179.540 179.502 0.038 25484 1323 1 3 . 1 1 68 68 ALA CA C 68 55.450 55.450 54.859 0.591 25484 1324 1 3 . 1 1 68 68 ALA CB C 68 18.220 18.220 18.860 -0.640 25484 1325 1 3 . 1 1 68 68 ALA H H 68 8.604 8.604 8.244 0.360 25484 1326 1 3 . 1 1 69 69 TYR HA H 69 4.345 4.345 4.355 -0.010 25484 1327 1 3 . 1 1 69 69 TYR CA C 69 57.750 57.750 58.247 -0.497 25484 1328 1 3 . 1 1 69 69 TYR CB C 69 38.580 38.580 37.254 1.326 25484 1329 1 3 . 1 1 71 71 ALA HA H 71 4.000 4.000 3.933 0.067 25484 1330 1 3 . 1 1 71 71 ALA C C 71 179.540 179.540 180.399 -0.859 25484 1331 1 3 . 1 1 71 71 ALA CA C 71 54.850 54.850 54.980 -0.130 25484 1332 1 3 . 1 1 71 71 ALA CB C 71 19.650 19.650 18.392 1.258 25484 1333 1 3 . 1 1 72 72 LYS N N 72 114.680 114.680 117.304 -2.624 25484 1334 1 3 . 1 1 72 72 LYS HA H 72 3.904 3.904 4.035 -0.131 25484 1335 1 3 . 1 1 72 72 LYS C C 72 177.120 177.120 177.708 -0.588 25484 1336 1 3 . 1 1 72 72 LYS CA C 72 58.230 58.230 59.106 -0.876 25484 1337 1 3 . 1 1 72 72 LYS CB C 72 32.340 32.340 32.582 -0.242 25484 1338 1 3 . 1 1 72 72 LYS H H 72 7.080 7.080 8.276 -1.196 25484 1339 1 3 . 1 1 73 73 HIS N N 73 113.498 113.498 115.493 -1.995 25484 1340 1 3 . 1 1 73 73 HIS HA H 73 4.826 4.826 4.772 0.054 25484 1341 1 3 . 1 1 73 73 HIS C C 73 173.660 173.660 174.173 -0.513 25484 1342 1 3 . 1 1 73 73 HIS CA C 73 54.380 54.380 54.956 -0.576 25484 1343 1 3 . 1 1 73 73 HIS CB C 73 30.350 30.350 30.677 -0.327 25484 1344 1 3 . 1 1 73 73 HIS H H 73 7.250 7.250 7.990 -0.740 25484 1345 1 3 . 1 1 74 74 CYS N N 74 123.830 123.830 121.955 1.875 25484 1346 1 3 . 1 1 74 74 CYS HA H 74 4.150 4.150 4.454 -0.304 25484 1347 1 3 . 1 1 74 74 CYS C C 74 176.480 176.480 173.528 2.952 25484 1348 1 3 . 1 1 74 74 CYS CA C 74 60.250 60.250 56.861 3.389 25484 1349 1 3 . 1 1 74 74 CYS CB C 74 29.930 29.930 27.118 2.812 25484 1350 1 3 . 1 1 74 74 CYS H H 74 7.140 7.140 8.023 -0.883 25484 1351 1 3 . 1 1 75 75 GLN N N 75 128.740 128.740 127.811 0.929 25484 1352 1 3 . 1 1 75 75 GLN HA H 75 4.685 4.685 4.338 0.346 25484 1353 1 3 . 1 1 75 75 GLN C C 75 176.090 176.090 174.589 1.501 25484 1354 1 3 . 1 1 75 75 GLN CA C 75 54.900 54.900 55.598 -0.698 25484 1355 1 3 . 1 1 75 75 GLN CB C 75 29.840 29.840 28.110 1.730 25484 1356 1 3 . 1 1 75 75 GLN H H 75 9.088 9.088 8.671 0.417 25484 1357 1 3 . 1 1 76 76 GLU N N 76 123.190 123.190 124.467 -1.277 25484 1358 1 3 . 1 1 76 76 GLU HA H 76 4.480 4.480 4.398 0.082 25484 1359 1 3 . 1 1 76 76 GLU C C 76 177.030 177.030 174.866 2.164 25484 1360 1 3 . 1 1 76 76 GLU CA C 76 56.210 56.210 55.651 0.559 25484 1361 1 3 . 1 1 76 76 GLU CB C 76 30.660 30.660 32.322 -1.662 25484 1362 1 3 . 1 1 76 76 GLU H H 76 8.390 8.390 7.716 0.674 25484 1363 1 3 . 1 1 77 77 ASN N N 77 124.760 124.760 124.598 0.162 25484 1364 1 3 . 1 1 77 77 ASN HA H 77 4.549 4.549 4.829 -0.280 25484 1365 1 3 . 1 1 77 77 ASN C C 77 176.070 176.070 176.008 0.062 25484 1366 1 3 . 1 1 77 77 ASN CA C 77 55.100 55.100 52.538 2.562 25484 1367 1 3 . 1 1 77 77 ASN CB C 77 38.650 38.650 38.909 -0.259 25484 1368 1 3 . 1 1 77 77 ASN H H 77 8.848 8.848 8.849 -0.001 25484 1369 1 3 . 1 1 78 78 LYS N N 78 120.810 120.810 120.271 0.539 25484 1370 1 3 . 1 1 78 78 LYS HA H 78 4.460 4.460 4.039 0.421 25484 1371 1 3 . 1 1 78 78 LYS C C 78 175.230 175.230 176.422 -1.192 25484 1372 1 3 . 1 1 78 78 LYS CA C 78 54.920 54.920 59.074 -4.154 25484 1373 1 3 . 1 1 78 78 LYS CB C 78 31.020 31.020 32.587 -1.567 25484 1374 1 3 . 1 1 78 78 LYS H H 78 8.636 8.636 8.241 0.395 25484 1375 1 3 . 1 1 80 80 PRO HA H 80 4.710 4.710 4.403 0.307 25484 1376 1 3 . 1 1 80 80 PRO CA C 80 62.850 62.850 63.781 -0.931 25484 1377 1 3 . 1 1 80 80 PRO CB C 80 32.150 32.150 32.239 -0.089 25484 1378 1 3 . 1 1 81 81 VAL HA H 81 3.578 3.578 4.213 -0.635 25484 1379 1 3 . 1 1 81 81 VAL CA C 81 62.350 62.350 59.527 2.823 25484 1380 1 3 . 1 1 81 81 VAL CB C 81 31.616 31.616 32.263 -0.647 25484 1381 1 3 . 1 1 82 82 PRO HA H 82 4.850 4.850 3.874 0.976 25484 1382 1 3 . 1 1 82 82 PRO CA C 82 63.350 63.350 62.500 0.850 25484 1383 1 3 . 1 1 82 82 PRO CB C 82 32.050 32.050 32.085 -0.035 25484 1384 1 3 . 1 1 83 83 PHE HA H 83 4.160 4.160 4.222 -0.062 25484 1385 1 3 . 1 1 83 83 PHE CA C 83 58.950 58.950 59.244 -0.294 25484 1386 1 3 . 1 1 83 83 PHE CB C 83 38.250 38.250 36.170 2.080 25484 1387 1 3 . 1 1 84 84 CYS HA H 84 4.597 4.597 4.877 -0.280 25484 1388 1 3 . 1 1 84 84 CYS CA C 84 56.750 56.750 56.402 0.348 25484 1389 1 3 . 1 1 84 84 CYS CB C 84 30.150 30.150 29.866 0.284 25484 1390 1 3 . 1 1 85 85 LEU N N 85 119.930 119.930 121.703 -1.773 25484 1391 1 3 . 1 1 85 85 LEU HA H 85 3.958 3.958 4.211 -0.253 25484 1392 1 3 . 1 1 85 85 LEU CA C 85 59.350 59.350 56.844 2.506 25484 1393 1 3 . 1 1 85 85 LEU CB C 85 38.180 38.180 39.874 -1.694 25484 1394 1 3 . 1 1 85 85 LEU H H 85 8.220 8.220 8.754 -0.534 25484 1395 1 3 . 1 1 86 86 ASN N N 86 115.750 115.750 117.232 -1.482 25484 1396 1 3 . 1 1 86 86 ASN HA H 86 4.580 4.580 4.638 -0.058 25484 1397 1 3 . 1 1 86 86 ASN CA C 86 51.860 51.860 55.110 -3.250 25484 1398 1 3 . 1 1 86 86 ASN CB C 86 38.610 38.610 39.526 -0.916 25484 1399 1 3 . 1 1 86 86 ASN H H 86 7.789 7.789 8.165 -0.376 25484 1400 1 3 . 1 1 87 87 ILE N N 87 123.260 123.260 119.133 4.127 25484 1401 1 3 . 1 1 87 87 ILE HA H 87 4.220 4.220 3.932 0.288 25484 1402 1 3 . 1 1 87 87 ILE CA C 87 61.850 61.850 63.423 -1.573 25484 1403 1 3 . 1 1 87 87 ILE CB C 87 41.330 41.330 38.199 3.131 25484 1404 1 3 . 1 1 87 87 ILE H H 87 7.160 7.160 8.317 -1.157 25484 1405 1 3 . 1 1 88 88 LYS HA H 88 4.450 4.450 4.554 -0.104 25484 1406 1 3 . 1 1 88 88 LYS CA C 88 54.530 54.530 54.842 -0.312 25484 1407 1 3 . 1 1 88 88 LYS CB C 88 31.450 31.450 34.167 -2.717 25484 1408 1 3 . 1 1 89 89 GLN HA H 89 4.450 4.450 4.607 -0.157 25484 1409 1 3 . 1 1 89 89 GLN CA C 89 56.210 56.210 55.739 0.471 25484 1410 1 3 . 1 1 89 89 GLN CB C 89 29.250 29.250 28.593 0.657 25484 1411 1 4 . 1 1 2 2 THR HA H 2 4.415 4.415 4.280 0.135 25484 1412 1 4 . 1 1 2 2 THR C C 2 174.580 174.580 174.492 0.088 25484 1413 1 4 . 1 1 2 2 THR CA C 2 62.450 62.450 63.382 -0.932 25484 1414 1 4 . 1 1 2 2 THR CB C 2 70.050 70.050 69.497 0.553 25484 1415 1 4 . 1 1 3 3 GLN N N 3 123.423 123.423 117.342 6.081 25484 1416 1 4 . 1 1 3 3 GLN HA H 3 4.480 4.480 4.570 -0.090 25484 1417 1 4 . 1 1 3 3 GLN C C 3 176.040 176.040 175.646 0.394 25484 1418 1 4 . 1 1 3 3 GLN CA C 3 55.950 55.950 55.684 0.266 25484 1419 1 4 . 1 1 3 3 GLN CB C 3 30.550 30.550 30.029 0.521 25484 1420 1 4 . 1 1 3 3 GLN H H 3 8.536 8.536 8.080 0.456 25484 1421 1 4 . 1 1 4 4 SER N N 4 119.390 119.390 116.227 3.163 25484 1422 1 4 . 1 1 4 4 SER HA H 4 4.834 4.834 4.664 0.170 25484 1423 1 4 . 1 1 4 4 SER C C 4 173.640 173.640 173.966 -0.326 25484 1424 1 4 . 1 1 4 4 SER CA C 4 56.250 56.250 60.209 -3.958 25484 1425 1 4 . 1 1 4 4 SER CB C 4 63.400 63.400 61.847 1.553 25484 1426 1 4 . 1 1 4 4 SER H H 4 8.150 8.150 8.230 -0.080 25484 1427 1 4 . 1 1 5 5 PRO HA H 5 4.480 4.480 4.468 0.012 25484 1428 1 4 . 1 1 5 5 PRO C C 5 178.180 178.180 176.217 1.963 25484 1429 1 4 . 1 1 5 5 PRO CA C 5 64.040 64.040 63.312 0.728 25484 1430 1 4 . 1 1 5 5 PRO CB C 5 32.120 32.120 32.068 0.052 25484 1431 1 4 . 1 1 6 6 GLY N N 6 108.600 108.600 106.328 2.272 25484 1432 1 4 . 1 1 6 6 GLY C C 6 174.930 174.930 174.375 0.555 25484 1433 1 4 . 1 1 6 6 GLY CA C 6 45.750 45.750 44.609 1.141 25484 1434 1 4 . 1 1 6 6 GLY H H 6 8.470 8.470 7.756 0.714 25484 1435 1 4 . 1 1 7 7 ASP N N 7 121.260 121.260 122.832 -1.572 25484 1436 1 4 . 1 1 7 7 ASP HA H 7 4.660 4.660 4.337 0.323 25484 1437 1 4 . 1 1 7 7 ASP C C 7 177.580 177.580 176.978 0.602 25484 1438 1 4 . 1 1 7 7 ASP CA C 7 55.200 55.200 57.773 -2.573 25484 1439 1 4 . 1 1 7 7 ASP CB C 7 41.400 41.400 41.146 0.254 25484 1440 1 4 . 1 1 7 7 ASP H H 7 8.130 8.130 8.101 0.029 25484 1441 1 4 . 1 1 8 8 SER N N 8 116.818 116.818 114.410 2.408 25484 1442 1 4 . 1 1 8 8 SER HA H 8 4.340 4.340 4.308 0.032 25484 1443 1 4 . 1 1 8 8 SER C C 8 176.310 176.310 176.732 -0.422 25484 1444 1 4 . 1 1 8 8 SER CA C 8 60.050 60.050 61.642 -1.592 25484 1445 1 4 . 1 1 8 8 SER CB C 8 63.190 63.190 62.811 0.379 25484 1446 1 4 . 1 1 8 8 SER H H 8 8.372 8.372 8.644 -0.272 25484 1447 1 4 . 1 1 9 9 ARG N N 9 123.150 123.150 122.569 0.581 25484 1448 1 4 . 1 1 9 9 ARG HA H 9 4.260 4.260 4.085 0.175 25484 1449 1 4 . 1 1 9 9 ARG C C 9 177.710 177.710 178.311 -0.601 25484 1450 1 4 . 1 1 9 9 ARG CA C 9 58.050 58.050 58.840 -0.790 25484 1451 1 4 . 1 1 9 9 ARG CB C 9 30.350 30.350 30.078 0.272 25484 1452 1 4 . 1 1 9 9 ARG H H 9 8.308 8.308 7.556 0.752 25484 1453 1 4 . 1 1 10 10 ARG N N 10 119.940 119.940 119.595 0.345 25484 1454 1 4 . 1 1 10 10 ARG HA H 10 4.110 4.110 4.099 0.011 25484 1455 1 4 . 1 1 10 10 ARG C C 10 178.180 178.180 178.909 -0.729 25484 1456 1 4 . 1 1 10 10 ARG CA C 10 58.420 58.420 59.465 -1.045 25484 1457 1 4 . 1 1 10 10 ARG CB C 10 30.260 30.260 30.262 -0.002 25484 1458 1 4 . 1 1 10 10 ARG H H 10 8.075 8.075 8.089 -0.014 25484 1459 1 4 . 1 1 11 11 LEU N N 11 121.060 121.060 119.598 1.462 25484 1460 1 4 . 1 1 11 11 LEU HA H 11 4.225 4.225 4.102 0.123 25484 1461 1 4 . 1 1 11 11 LEU C C 11 179.950 179.950 178.935 1.015 25484 1462 1 4 . 1 1 11 11 LEU CA C 11 57.450 57.450 57.948 -0.498 25484 1463 1 4 . 1 1 11 11 LEU CB C 11 41.910 41.910 41.375 0.535 25484 1464 1 4 . 1 1 11 11 LEU H H 11 8.160 8.160 8.797 -0.637 25484 1465 1 4 . 1 1 12 12 SER N N 12 116.470 116.470 115.843 0.627 25484 1466 1 4 . 1 1 12 12 SER HA H 12 4.317 4.317 4.222 0.095 25484 1467 1 4 . 1 1 12 12 SER C C 12 176.960 176.960 176.543 0.417 25484 1468 1 4 . 1 1 12 12 SER CA C 12 60.760 60.760 61.523 -0.763 25484 1469 1 4 . 1 1 12 12 SER CB C 12 63.350 63.350 62.796 0.554 25484 1470 1 4 . 1 1 12 12 SER H H 12 8.179 8.179 7.657 0.522 25484 1471 1 4 . 1 1 13 13 ILE N N 13 123.740 123.740 121.764 1.976 25484 1472 1 4 . 1 1 13 13 ILE HA H 13 3.690 3.690 3.629 0.061 25484 1473 1 4 . 1 1 13 13 ILE C C 13 177.660 177.660 177.508 0.152 25484 1474 1 4 . 1 1 13 13 ILE CA C 13 64.930 64.930 64.655 0.275 25484 1475 1 4 . 1 1 13 13 ILE CB C 13 37.650 37.650 37.056 0.595 25484 1476 1 4 . 1 1 13 13 ILE H H 13 8.130 8.130 7.627 0.503 25484 1477 1 4 . 1 1 14 14 GLN N N 14 119.220 119.220 120.880 -1.660 25484 1478 1 4 . 1 1 14 14 GLN HA H 14 4.040 4.040 3.731 0.309 25484 1479 1 4 . 1 1 14 14 GLN C C 14 179.490 179.490 178.338 1.152 25484 1480 1 4 . 1 1 14 14 GLN CA C 14 59.750 59.750 60.061 -0.311 25484 1481 1 4 . 1 1 14 14 GLN CB C 14 27.730 27.730 28.512 -0.782 25484 1482 1 4 . 1 1 14 14 GLN H H 14 8.113 8.113 8.910 -0.797 25484 1483 1 4 . 1 1 15 15 ARG N N 15 119.160 119.160 118.055 1.105 25484 1484 1 4 . 1 1 15 15 ARG HA H 15 4.150 4.150 4.316 -0.166 25484 1485 1 4 . 1 1 15 15 ARG C C 15 179.460 179.460 178.346 1.114 25484 1486 1 4 . 1 1 15 15 ARG CA C 15 59.150 59.150 59.100 0.050 25484 1487 1 4 . 1 1 15 15 ARG CB C 15 30.090 30.090 30.049 0.042 25484 1488 1 4 . 1 1 15 15 ARG H H 15 8.200 8.200 7.897 0.303 25484 1489 1 4 . 1 1 16 16 ALA N N 16 124.140 124.140 124.107 0.033 25484 1490 1 4 . 1 1 16 16 ALA HA H 16 3.990 3.990 4.146 -0.156 25484 1491 1 4 . 1 1 16 16 ALA C C 16 180.230 180.230 179.810 0.420 25484 1492 1 4 . 1 1 16 16 ALA CA C 16 55.550 55.550 54.936 0.614 25484 1493 1 4 . 1 1 16 16 ALA CB C 16 18.750 18.750 18.506 0.244 25484 1494 1 4 . 1 1 16 16 ALA H H 16 8.071 8.071 7.516 0.555 25484 1495 1 4 . 1 1 17 17 ILE N N 17 118.180 118.180 119.710 -1.530 25484 1496 1 4 . 1 1 17 17 ILE HA H 17 3.712 3.712 3.471 0.241 25484 1497 1 4 . 1 1 17 17 ILE C C 17 178.210 178.210 177.977 0.233 25484 1498 1 4 . 1 1 17 17 ILE CA C 17 64.870 64.870 66.071 -1.201 25484 1499 1 4 . 1 1 17 17 ILE CB C 17 37.640 37.640 37.712 -0.072 25484 1500 1 4 . 1 1 17 17 ILE H H 17 8.534 8.534 8.803 -0.269 25484 1501 1 4 . 1 1 18 18 GLN N N 18 118.960 118.960 119.154 -0.194 25484 1502 1 4 . 1 1 18 18 GLN HA H 18 4.134 4.134 3.899 0.235 25484 1503 1 4 . 1 1 18 18 GLN C C 18 180.050 180.050 178.972 1.078 25484 1504 1 4 . 1 1 18 18 GLN CA C 18 59.340 59.340 59.475 -0.135 25484 1505 1 4 . 1 1 18 18 GLN CB C 18 28.030 28.030 28.425 -0.395 25484 1506 1 4 . 1 1 18 18 GLN H H 18 8.200 8.200 8.760 -0.560 25484 1507 1 4 . 1 1 19 19 SER N N 19 116.320 116.320 116.413 -0.093 25484 1508 1 4 . 1 1 19 19 SER HA H 19 4.388 4.388 4.192 0.196 25484 1509 1 4 . 1 1 19 19 SER C C 19 176.460 176.460 176.276 0.184 25484 1510 1 4 . 1 1 19 19 SER CA C 19 62.250 62.250 62.469 -0.219 25484 1511 1 4 . 1 1 19 19 SER CB C 19 63.270 63.270 63.087 0.183 25484 1512 1 4 . 1 1 19 19 SER H H 19 8.190 8.190 8.269 -0.079 25484 1513 1 4 . 1 1 20 20 LEU N N 20 125.540 125.540 124.665 0.875 25484 1514 1 4 . 1 1 20 20 LEU HA H 20 4.075 4.075 4.000 0.075 25484 1515 1 4 . 1 1 20 20 LEU C C 20 177.640 177.640 178.492 -0.852 25484 1516 1 4 . 1 1 20 20 LEU CA C 20 58.750 58.750 58.499 0.251 25484 1517 1 4 . 1 1 20 20 LEU CB C 20 42.390 42.390 42.009 0.381 25484 1518 1 4 . 1 1 20 20 LEU H H 20 8.290 8.290 8.136 0.154 25484 1519 1 4 . 1 1 21 21 VAL N N 21 118.690 118.690 118.180 0.510 25484 1520 1 4 . 1 1 21 21 VAL HA H 21 3.356 3.356 3.505 -0.149 25484 1521 1 4 . 1 1 21 21 VAL C C 21 178.770 178.770 177.585 1.185 25484 1522 1 4 . 1 1 21 21 VAL CA C 21 66.850 66.850 67.599 -0.749 25484 1523 1 4 . 1 1 21 21 VAL CB C 21 31.450 31.450 31.823 -0.373 25484 1524 1 4 . 1 1 21 21 VAL H H 21 8.532 8.532 9.003 -0.471 25484 1525 1 4 . 1 1 22 22 HIS N N 22 116.230 116.230 119.312 -3.082 25484 1526 1 4 . 1 1 22 22 HIS HA H 22 4.230 4.230 4.243 -0.013 25484 1527 1 4 . 1 1 22 22 HIS C C 22 178.420 178.420 176.846 1.574 25484 1528 1 4 . 1 1 22 22 HIS CA C 22 59.980 59.980 60.075 -0.095 25484 1529 1 4 . 1 1 22 22 HIS CB C 22 27.830 27.830 29.836 -2.006 25484 1530 1 4 . 1 1 22 22 HIS H H 22 7.980 7.980 7.974 0.006 25484 1531 1 4 . 1 1 23 23 ALA N N 23 121.520 121.520 121.419 0.101 25484 1532 1 4 . 1 1 23 23 ALA HA H 23 4.225 4.225 4.150 0.075 25484 1533 1 4 . 1 1 23 23 ALA C C 23 179.540 179.540 178.758 0.782 25484 1534 1 4 . 1 1 23 23 ALA CA C 23 55.250 55.250 54.903 0.347 25484 1535 1 4 . 1 1 23 23 ALA CB C 23 19.550 19.550 18.555 0.995 25484 1536 1 4 . 1 1 23 23 ALA H H 23 8.640 8.640 8.610 0.030 25484 1537 1 4 . 1 1 24 24 ALA N N 24 116.860 116.860 119.453 -2.593 25484 1538 1 4 . 1 1 24 24 ALA HA H 24 4.100 4.100 4.033 0.067 25484 1539 1 4 . 1 1 24 24 ALA C C 24 178.130 178.130 179.628 -1.498 25484 1540 1 4 . 1 1 24 24 ALA CA C 24 54.090 54.090 54.571 -0.480 25484 1541 1 4 . 1 1 24 24 ALA CB C 24 18.750 18.750 18.604 0.146 25484 1542 1 4 . 1 1 24 24 ALA H H 24 8.260 8.260 7.858 0.402 25484 1543 1 4 . 1 1 25 25 GLN N N 25 112.450 112.450 117.434 -4.984 25484 1544 1 4 . 1 1 25 25 GLN HA H 25 4.495 4.495 4.217 0.278 25484 1545 1 4 . 1 1 25 25 GLN C C 25 174.940 174.940 175.674 -0.734 25484 1546 1 4 . 1 1 25 25 GLN CA C 25 54.650 54.650 56.840 -2.190 25484 1547 1 4 . 1 1 25 25 GLN CB C 25 30.650 30.650 30.337 0.313 25484 1548 1 4 . 1 1 25 25 GLN H H 25 7.260 7.260 8.126 -0.866 25484 1549 1 4 . 1 1 26 26 CYS N N 26 124.510 124.510 119.634 4.876 25484 1550 1 4 . 1 1 26 26 CYS HA H 26 3.915 3.915 4.207 -0.292 25484 1551 1 4 . 1 1 26 26 CYS C C 26 176.690 176.690 173.114 3.576 25484 1552 1 4 . 1 1 26 26 CYS CA C 26 60.980 60.980 59.417 1.563 25484 1553 1 4 . 1 1 26 26 CYS CB C 26 29.350 29.350 28.557 0.793 25484 1554 1 4 . 1 1 26 26 CYS H H 26 7.365 7.365 8.557 -1.192 25484 1555 1 4 . 1 1 27 27 ARG N N 27 129.870 129.870 127.183 2.687 25484 1556 1 4 . 1 1 27 27 ARG HA H 27 4.635 4.635 4.485 0.150 25484 1557 1 4 . 1 1 27 27 ARG C C 27 175.660 175.660 173.811 1.849 25484 1558 1 4 . 1 1 27 27 ARG CA C 27 54.550 54.550 55.077 -0.527 25484 1559 1 4 . 1 1 27 27 ARG CB C 27 30.350 30.350 29.016 1.334 25484 1560 1 4 . 1 1 27 27 ARG H H 27 8.880 8.880 8.363 0.517 25484 1561 1 4 . 1 1 28 28 ASN N N 28 120.810 120.810 121.826 -1.016 25484 1562 1 4 . 1 1 28 28 ASN HA H 28 4.870 4.870 4.786 0.084 25484 1563 1 4 . 1 1 28 28 ASN C C 28 176.120 176.120 175.029 1.091 25484 1564 1 4 . 1 1 28 28 ASN CA C 28 51.930 51.930 53.264 -1.334 25484 1565 1 4 . 1 1 28 28 ASN CB C 28 39.060 39.060 40.375 -1.315 25484 1566 1 4 . 1 1 28 28 ASN H H 28 7.980 7.980 8.009 -0.029 25484 1567 1 4 . 1 1 29 29 ALA N N 29 130.470 130.470 126.594 3.876 25484 1568 1 4 . 1 1 29 29 ALA HA H 29 4.133 4.133 4.193 -0.060 25484 1569 1 4 . 1 1 29 29 ALA C C 29 178.380 178.380 177.273 1.107 25484 1570 1 4 . 1 1 29 29 ALA CA C 29 54.290 54.290 53.922 0.368 25484 1571 1 4 . 1 1 29 29 ALA CB C 29 18.370 18.370 19.191 -0.821 25484 1572 1 4 . 1 1 29 29 ALA H H 29 9.134 9.134 8.534 0.600 25484 1573 1 4 . 1 1 30 30 ASN N N 30 114.590 114.590 114.486 0.104 25484 1574 1 4 . 1 1 30 30 ASN HA H 30 4.875 4.875 4.971 -0.096 25484 1575 1 4 . 1 1 30 30 ASN C C 30 174.530 174.530 174.303 0.227 25484 1576 1 4 . 1 1 30 30 ASN CA C 30 51.930 51.930 51.288 0.642 25484 1577 1 4 . 1 1 30 30 ASN CB C 30 38.910 38.910 38.623 0.287 25484 1578 1 4 . 1 1 30 30 ASN H H 30 8.114 8.114 8.045 0.069 25484 1579 1 4 . 1 1 31 31 CYS N N 31 123.270 123.270 121.696 1.574 25484 1580 1 4 . 1 1 31 31 CYS HA H 31 4.050 4.050 4.310 -0.260 25484 1581 1 4 . 1 1 31 31 CYS C C 31 177.170 177.170 174.294 2.876 25484 1582 1 4 . 1 1 31 31 CYS CA C 31 61.880 61.880 60.702 1.178 25484 1583 1 4 . 1 1 31 31 CYS CB C 31 30.010 30.010 28.280 1.730 25484 1584 1 4 . 1 1 31 31 CYS H H 31 7.210 7.210 7.344 -0.134 25484 1585 1 4 . 1 1 32 32 SER N N 32 124.300 124.300 124.830 -0.530 25484 1586 1 4 . 1 1 32 32 SER HA H 32 4.609 4.609 4.616 -0.007 25484 1587 1 4 . 1 1 32 32 SER C C 32 175.020 175.020 173.302 1.718 25484 1588 1 4 . 1 1 32 32 SER CA C 32 58.010 58.010 57.859 0.151 25484 1589 1 4 . 1 1 32 32 SER CB C 32 64.120 64.120 62.592 1.528 25484 1590 1 4 . 1 1 32 32 SER H H 32 8.767 8.767 8.502 0.265 25484 1591 1 4 . 1 1 33 33 LEU N N 33 128.860 128.860 128.200 0.660 25484 1592 1 4 . 1 1 33 33 LEU HA H 33 4.538 4.538 4.991 -0.453 25484 1593 1 4 . 1 1 33 33 LEU C C 33 177.230 177.230 174.705 2.525 25484 1594 1 4 . 1 1 33 33 LEU CA C 33 54.450 54.450 51.522 2.928 25484 1595 1 4 . 1 1 33 33 LEU CB C 33 40.970 40.970 43.596 -2.626 25484 1596 1 4 . 1 1 33 33 LEU H H 33 8.546 8.546 7.505 1.041 25484 1597 1 4 . 1 1 34 34 PRO HA H 34 4.370 4.370 4.533 -0.163 25484 1598 1 4 . 1 1 34 34 PRO C C 34 178.640 178.640 178.243 0.397 25484 1599 1 4 . 1 1 34 34 PRO CA C 34 65.530 65.530 65.584 -0.054 25484 1600 1 4 . 1 1 34 34 PRO CB C 34 31.970 31.970 31.858 0.112 25484 1601 1 4 . 1 1 35 35 SER N N 35 111.940 111.940 112.072 -0.132 25484 1602 1 4 . 1 1 35 35 SER HA H 35 4.127 4.127 4.251 -0.124 25484 1603 1 4 . 1 1 35 35 SER C C 35 174.750 174.750 176.238 -1.488 25484 1604 1 4 . 1 1 35 35 SER CA C 35 60.100 60.100 60.919 -0.819 25484 1605 1 4 . 1 1 35 35 SER CB C 35 62.910 62.910 62.278 0.632 25484 1606 1 4 . 1 1 35 35 SER H H 35 8.350 8.350 8.529 -0.179 25484 1607 1 4 . 1 1 36 36 CYS N N 36 125.790 125.790 123.788 2.002 25484 1608 1 4 . 1 1 36 36 CYS HA H 36 4.215 4.215 4.202 0.013 25484 1609 1 4 . 1 1 36 36 CYS C C 36 177.070 177.070 176.218 0.852 25484 1610 1 4 . 1 1 36 36 CYS CA C 36 63.900 63.900 61.751 2.149 25484 1611 1 4 . 1 1 36 36 CYS CB C 36 29.650 29.650 27.115 2.535 25484 1612 1 4 . 1 1 36 36 CYS H H 36 7.490 7.490 8.117 -0.627 25484 1613 1 4 . 1 1 37 37 GLN N N 37 115.860 115.860 119.220 -3.360 25484 1614 1 4 . 1 1 37 37 GLN HA H 37 4.010 4.010 3.820 0.190 25484 1615 1 4 . 1 1 37 37 GLN C C 37 179.690 179.690 178.407 1.283 25484 1616 1 4 . 1 1 37 37 GLN CA C 37 59.980 59.980 59.279 0.701 25484 1617 1 4 . 1 1 37 37 GLN CB C 37 27.820 27.820 28.212 -0.392 25484 1618 1 4 . 1 1 37 37 GLN H H 37 8.170 8.170 8.660 -0.490 25484 1619 1 4 . 1 1 38 38 LYS N N 38 117.470 117.470 119.579 -2.109 25484 1620 1 4 . 1 1 38 38 LYS HA H 38 4.060 4.060 4.003 0.057 25484 1621 1 4 . 1 1 38 38 LYS C C 38 179.230 179.230 179.314 -0.084 25484 1622 1 4 . 1 1 38 38 LYS CA C 38 59.450 59.450 59.282 0.168 25484 1623 1 4 . 1 1 38 38 LYS CB C 38 32.650 32.650 32.197 0.453 25484 1624 1 4 . 1 1 38 38 LYS H H 38 7.920 7.920 8.006 -0.086 25484 1625 1 4 . 1 1 39 39 MET N N 39 118.050 118.050 118.152 -0.102 25484 1626 1 4 . 1 1 39 39 MET HA H 39 4.559 4.559 4.161 0.398 25484 1627 1 4 . 1 1 39 39 MET C C 39 179.720 179.720 178.459 1.261 25484 1628 1 4 . 1 1 39 39 MET CA C 39 57.250 57.250 58.302 -1.052 25484 1629 1 4 . 1 1 39 39 MET CB C 39 32.550 32.550 32.117 0.433 25484 1630 1 4 . 1 1 39 39 MET H H 39 8.370 8.370 7.622 0.748 25484 1631 1 4 . 1 1 40 40 LYS N N 40 121.630 121.630 120.759 0.871 25484 1632 1 4 . 1 1 40 40 LYS HA H 40 3.840 3.840 3.963 -0.123 25484 1633 1 4 . 1 1 40 40 LYS C C 40 180.150 180.150 179.141 1.009 25484 1634 1 4 . 1 1 40 40 LYS CA C 40 61.520 61.520 60.262 1.258 25484 1635 1 4 . 1 1 40 40 LYS CB C 40 32.620 32.620 32.331 0.289 25484 1636 1 4 . 1 1 40 40 LYS H H 40 9.490 9.490 8.588 0.902 25484 1637 1 4 . 1 1 41 41 ARG N N 41 118.300 118.300 117.562 0.738 25484 1638 1 4 . 1 1 41 41 ARG HA H 41 4.180 4.180 4.139 0.041 25484 1639 1 4 . 1 1 41 41 ARG C C 41 180.080 180.080 178.136 1.944 25484 1640 1 4 . 1 1 41 41 ARG CA C 41 59.750 59.750 58.707 1.043 25484 1641 1 4 . 1 1 41 41 ARG CB C 41 30.010 30.010 30.153 -0.143 25484 1642 1 4 . 1 1 41 41 ARG H H 41 7.610 7.610 8.179 -0.569 25484 1643 1 4 . 1 1 42 42 VAL N N 42 121.750 121.750 118.748 3.002 25484 1644 1 4 . 1 1 42 42 VAL HA H 42 3.745 3.745 3.925 -0.180 25484 1645 1 4 . 1 1 42 42 VAL C C 42 178.130 178.130 177.495 0.635 25484 1646 1 4 . 1 1 42 42 VAL CA C 42 66.760 66.760 65.468 1.292 25484 1647 1 4 . 1 1 42 42 VAL CB C 42 31.520 31.520 32.708 -1.188 25484 1648 1 4 . 1 1 42 42 VAL H H 42 7.760 7.760 7.689 0.071 25484 1649 1 4 . 1 1 43 43 VAL N N 43 120.580 120.580 121.784 -1.204 25484 1650 1 4 . 1 1 43 43 VAL HA H 43 3.531 3.531 3.529 0.002 25484 1651 1 4 . 1 1 43 43 VAL C C 43 179.310 179.310 178.171 1.139 25484 1652 1 4 . 1 1 43 43 VAL CA C 43 67.120 67.120 67.281 -0.161 25484 1653 1 4 . 1 1 43 43 VAL CB C 43 31.510 31.510 31.592 -0.082 25484 1654 1 4 . 1 1 43 43 VAL H H 43 8.500 8.500 8.512 -0.012 25484 1655 1 4 . 1 1 44 44 GLN N N 44 119.280 119.280 116.353 2.927 25484 1656 1 4 . 1 1 44 44 GLN HA H 44 4.010 4.010 4.066 -0.056 25484 1657 1 4 . 1 1 44 44 GLN C C 44 179.330 179.330 178.443 0.887 25484 1658 1 4 . 1 1 44 44 GLN CA C 44 59.060 59.060 58.667 0.393 25484 1659 1 4 . 1 1 44 44 GLN CB C 44 28.030 28.030 28.088 -0.058 25484 1660 1 4 . 1 1 44 44 GLN H H 44 8.400 8.400 8.683 -0.283 25484 1661 1 4 . 1 1 45 45 HIS N N 45 119.160 119.160 120.216 -1.056 25484 1662 1 4 . 1 1 45 45 HIS HA H 45 4.283 4.283 4.316 -0.033 25484 1663 1 4 . 1 1 45 45 HIS C C 45 178.250 178.250 177.278 0.972 25484 1664 1 4 . 1 1 45 45 HIS CA C 45 59.950 59.950 60.062 -0.112 25484 1665 1 4 . 1 1 45 45 HIS CB C 45 27.150 27.150 29.970 -2.820 25484 1666 1 4 . 1 1 45 45 HIS H H 45 8.190 8.190 8.075 0.115 25484 1667 1 4 . 1 1 46 46 THR N N 46 111.110 111.110 116.184 -5.074 25484 1668 1 4 . 1 1 46 46 THR HA H 46 3.859 3.859 3.993 -0.134 25484 1669 1 4 . 1 1 46 46 THR C C 46 176.350 176.350 177.233 -0.883 25484 1670 1 4 . 1 1 46 46 THR CA C 46 65.670 65.670 66.537 -0.867 25484 1671 1 4 . 1 1 46 46 THR CB C 46 69.190 69.190 68.631 0.559 25484 1672 1 4 . 1 1 46 46 THR H H 46 7.980 7.980 8.401 -0.421 25484 1673 1 4 . 1 1 47 47 LYS N N 47 120.510 120.510 120.610 -0.100 25484 1674 1 4 . 1 1 47 47 LYS HA H 47 4.090 4.090 4.219 -0.129 25484 1675 1 4 . 1 1 47 47 LYS C C 47 178.150 178.150 179.325 -1.175 25484 1676 1 4 . 1 1 47 47 LYS CA C 47 58.750 58.750 58.694 0.056 25484 1677 1 4 . 1 1 47 47 LYS CB C 47 32.360 32.360 32.353 0.007 25484 1678 1 4 . 1 1 47 47 LYS H H 47 7.410 7.410 7.811 -0.401 25484 1679 1 4 . 1 1 48 48 GLY N N 48 104.210 104.210 106.389 -2.179 25484 1680 1 4 . 1 1 48 48 GLY C C 48 174.220 174.220 174.452 -0.232 25484 1681 1 4 . 1 1 48 48 GLY CA C 48 44.753 44.753 45.524 -0.771 25484 1682 1 4 . 1 1 48 48 GLY H H 48 7.180 7.180 7.957 -0.777 25484 1683 1 4 . 1 1 49 49 CYS N N 49 123.560 123.560 121.376 2.184 25484 1684 1 4 . 1 1 49 49 CYS HA H 49 4.010 4.010 4.511 -0.501 25484 1685 1 4 . 1 1 49 49 CYS C C 49 177.230 177.230 174.758 2.472 25484 1686 1 4 . 1 1 49 49 CYS CA C 49 61.230 61.230 56.836 4.394 25484 1687 1 4 . 1 1 49 49 CYS CB C 49 29.850 29.850 26.539 3.311 25484 1688 1 4 . 1 1 49 49 CYS H H 49 6.981 6.981 7.565 -0.584 25484 1689 1 4 . 1 1 50 50 LYS N N 50 128.350 128.350 122.226 6.124 25484 1690 1 4 . 1 1 50 50 LYS HA H 50 4.524 4.524 4.084 0.440 25484 1691 1 4 . 1 1 50 50 LYS C C 50 178.040 178.040 177.826 0.214 25484 1692 1 4 . 1 1 50 50 LYS CA C 50 56.750 56.750 57.807 -1.057 25484 1693 1 4 . 1 1 50 50 LYS CB C 50 32.950 32.950 31.816 1.135 25484 1694 1 4 . 1 1 50 50 LYS H H 50 8.999 8.999 7.883 1.116 25484 1695 1 4 . 1 1 51 51 ARG N N 51 122.550 122.550 118.457 4.093 25484 1696 1 4 . 1 1 51 51 ARG HA H 51 4.428 4.428 4.157 0.271 25484 1697 1 4 . 1 1 51 51 ARG C C 51 177.410 177.410 178.473 -1.063 25484 1698 1 4 . 1 1 51 51 ARG CA C 51 57.750 57.750 57.056 0.694 25484 1699 1 4 . 1 1 51 51 ARG CB C 51 31.860 31.860 29.007 2.853 25484 1700 1 4 . 1 1 51 51 ARG H H 51 8.558 8.558 8.340 0.218 25484 1701 1 4 . 1 1 52 52 LYS N N 52 119.040 119.040 120.439 -1.399 25484 1702 1 4 . 1 1 52 52 LYS HA H 52 4.534 4.534 4.001 0.533 25484 1703 1 4 . 1 1 52 52 LYS C C 52 177.610 177.610 178.416 -0.806 25484 1704 1 4 . 1 1 52 52 LYS CA C 52 57.970 57.970 59.892 -1.922 25484 1705 1 4 . 1 1 52 52 LYS CB C 52 32.350 32.350 31.900 0.450 25484 1706 1 4 . 1 1 52 52 LYS H H 52 8.490 8.490 8.180 0.310 25484 1707 1 4 . 1 1 53 53 THR N N 53 113.034 113.034 108.964 4.070 25484 1708 1 4 . 1 1 53 53 THR HA H 53 4.160 4.160 4.254 -0.094 25484 1709 1 4 . 1 1 53 53 THR C C 53 175.610 175.610 176.780 -1.170 25484 1710 1 4 . 1 1 53 53 THR CA C 53 64.050 64.050 64.528 -0.478 25484 1711 1 4 . 1 1 53 53 THR CB C 53 69.120 69.120 68.343 0.777 25484 1712 1 4 . 1 1 53 53 THR H H 53 7.760 7.760 8.136 -0.376 25484 1713 1 4 . 1 1 54 54 ASN N N 54 119.860 119.860 121.947 -2.087 25484 1714 1 4 . 1 1 54 54 ASN HA H 54 4.920 4.920 4.542 0.378 25484 1715 1 4 . 1 1 54 54 ASN C C 54 176.330 176.330 176.699 -0.369 25484 1716 1 4 . 1 1 54 54 ASN CA C 54 53.720 53.720 55.276 -1.556 25484 1717 1 4 . 1 1 54 54 ASN CB C 54 38.350 38.350 38.574 -0.224 25484 1718 1 4 . 1 1 54 54 ASN H H 54 8.290 8.290 7.909 0.381 25484 1719 1 4 . 1 1 55 55 GLY N N 55 107.570 107.570 103.201 4.369 25484 1720 1 4 . 1 1 55 55 GLY C C 55 175.660 175.660 174.436 1.224 25484 1721 1 4 . 1 1 55 55 GLY CA C 55 45.938 45.938 44.296 1.642 25484 1722 1 4 . 1 1 55 55 GLY H H 55 8.006 8.006 7.799 0.207 25484 1723 1 4 . 1 1 56 56 GLY N N 56 107.290 107.290 108.471 -1.181 25484 1724 1 4 . 1 1 56 56 GLY C C 56 173.710 173.710 174.913 -1.203 25484 1725 1 4 . 1 1 56 56 GLY CA C 56 45.570 45.570 45.269 0.301 25484 1726 1 4 . 1 1 56 56 GLY H H 56 7.840 7.840 7.503 0.337 25484 1727 1 4 . 1 1 57 57 CYS N N 57 122.730 122.730 120.785 1.945 25484 1728 1 4 . 1 1 57 57 CYS HA H 57 4.505 4.505 4.888 -0.383 25484 1729 1 4 . 1 1 57 57 CYS C C 57 175.090 175.090 173.217 1.873 25484 1730 1 4 . 1 1 57 57 CYS CA C 57 55.950 55.950 55.190 0.760 25484 1731 1 4 . 1 1 57 57 CYS CB C 57 30.760 30.760 27.538 3.222 25484 1732 1 4 . 1 1 57 57 CYS H H 57 8.048 8.048 7.950 0.098 25484 1733 1 4 . 1 1 58 58 PRO HA H 58 4.338 4.338 4.717 -0.379 25484 1734 1 4 . 1 1 58 58 PRO CA C 58 65.050 65.050 63.005 2.045 25484 1735 1 4 . 1 1 58 58 PRO CB C 58 32.620 32.620 30.357 2.263 25484 1736 1 4 . 1 1 59 59 ILE N N 59 121.256 121.256 123.097 -1.841 25484 1737 1 4 . 1 1 59 59 ILE HA H 59 3.818 3.818 4.212 -0.394 25484 1738 1 4 . 1 1 59 59 ILE C C 59 178.820 178.820 176.772 2.048 25484 1739 1 4 . 1 1 59 59 ILE CA C 59 64.590 64.590 63.334 1.256 25484 1740 1 4 . 1 1 59 59 ILE CB C 59 38.890 38.890 39.647 -0.756 25484 1741 1 4 . 1 1 59 59 ILE H H 59 7.900 7.900 8.907 -1.007 25484 1742 1 4 . 1 1 60 60 CYS N N 60 123.970 123.970 118.948 5.022 25484 1743 1 4 . 1 1 60 60 CYS HA H 60 4.117 4.117 4.239 -0.122 25484 1744 1 4 . 1 1 60 60 CYS C C 60 178.110 178.110 177.026 1.084 25484 1745 1 4 . 1 1 60 60 CYS CA C 60 66.090 66.090 61.700 4.390 25484 1746 1 4 . 1 1 60 60 CYS CB C 60 29.150 29.150 25.715 3.435 25484 1747 1 4 . 1 1 60 60 CYS H H 60 8.914 8.914 8.464 0.450 25484 1748 1 4 . 1 1 61 61 LYS N N 61 117.210 117.210 120.349 -3.139 25484 1749 1 4 . 1 1 61 61 LYS HA H 61 3.910 3.910 4.007 -0.097 25484 1750 1 4 . 1 1 61 61 LYS C C 61 179.460 179.460 178.110 1.350 25484 1751 1 4 . 1 1 61 61 LYS CA C 61 59.970 59.970 59.587 0.383 25484 1752 1 4 . 1 1 61 61 LYS CB C 61 32.650 32.650 32.378 0.272 25484 1753 1 4 . 1 1 61 61 LYS H H 61 8.090 8.090 8.155 -0.065 25484 1754 1 4 . 1 1 62 62 GLN N N 62 117.780 117.780 118.737 -0.957 25484 1755 1 4 . 1 1 62 62 GLN HA H 62 4.203 4.203 4.163 0.040 25484 1756 1 4 . 1 1 62 62 GLN C C 62 178.564 178.564 178.689 -0.125 25484 1757 1 4 . 1 1 62 62 GLN CA C 62 58.450 58.450 58.044 0.406 25484 1758 1 4 . 1 1 62 62 GLN CB C 62 29.140 29.140 28.895 0.245 25484 1759 1 4 . 1 1 62 62 GLN H H 62 7.360 7.360 7.517 -0.157 25484 1760 1 4 . 1 1 63 63 LEU N N 63 119.930 119.930 123.541 -3.611 25484 1761 1 4 . 1 1 63 63 LEU HA H 63 4.218 4.218 4.119 0.099 25484 1762 1 4 . 1 1 63 63 LEU C C 63 179.440 179.440 177.762 1.678 25484 1763 1 4 . 1 1 63 63 LEU CA C 63 58.550 58.550 57.690 0.860 25484 1764 1 4 . 1 1 63 63 LEU CB C 63 41.910 41.910 41.772 0.138 25484 1765 1 4 . 1 1 63 63 LEU H H 63 8.075 8.075 8.694 -0.619 25484 1766 1 4 . 1 1 64 64 ILE N N 64 120.280 120.280 120.126 0.154 25484 1767 1 4 . 1 1 64 64 ILE HA H 64 3.600 3.600 3.599 0.001 25484 1768 1 4 . 1 1 64 64 ILE C C 64 177.950 177.950 177.954 -0.004 25484 1769 1 4 . 1 1 64 64 ILE CA C 64 65.250 65.250 65.558 -0.308 25484 1770 1 4 . 1 1 64 64 ILE CB C 64 37.320 37.320 37.288 0.032 25484 1771 1 4 . 1 1 64 64 ILE H H 64 8.466 8.466 8.618 -0.152 25484 1772 1 4 . 1 1 65 65 ALA N N 65 122.590 122.590 121.993 0.597 25484 1773 1 4 . 1 1 65 65 ALA HA H 65 4.185 4.185 3.489 0.696 25484 1774 1 4 . 1 1 65 65 ALA C C 65 181.010 181.010 179.257 1.753 25484 1775 1 4 . 1 1 65 65 ALA CA C 65 55.220 55.220 55.210 0.010 25484 1776 1 4 . 1 1 65 65 ALA CB C 65 18.450 18.450 18.093 0.357 25484 1777 1 4 . 1 1 65 65 ALA H H 65 7.496 7.496 8.166 -0.670 25484 1778 1 4 . 1 1 66 66 LEU N N 66 115.599 115.599 120.594 -4.995 25484 1779 1 4 . 1 1 66 66 LEU HA H 66 4.100 4.100 4.014 0.086 25484 1780 1 4 . 1 1 66 66 LEU C C 66 179.380 179.380 179.162 0.218 25484 1781 1 4 . 1 1 66 66 LEU CA C 66 57.930 57.930 57.777 0.153 25484 1782 1 4 . 1 1 66 66 LEU CB C 66 41.410 41.410 41.603 -0.193 25484 1783 1 4 . 1 1 66 66 LEU H H 66 8.139 8.139 8.043 0.096 25484 1784 1 4 . 1 1 67 67 ALA N N 67 122.670 122.670 120.808 1.862 25484 1785 1 4 . 1 1 67 67 ALA HA H 67 3.958 3.958 3.995 -0.037 25484 1786 1 4 . 1 1 67 67 ALA C C 67 180.060 180.060 179.571 0.489 25484 1787 1 4 . 1 1 67 67 ALA CA C 67 55.750 55.750 55.225 0.525 25484 1788 1 4 . 1 1 67 67 ALA CB C 67 19.220 19.220 18.299 0.921 25484 1789 1 4 . 1 1 67 67 ALA H H 67 8.770 8.770 8.909 -0.139 25484 1790 1 4 . 1 1 68 68 ALA N N 68 120.580 120.580 121.691 -1.111 25484 1791 1 4 . 1 1 68 68 ALA HA H 68 4.142 4.142 4.015 0.127 25484 1792 1 4 . 1 1 68 68 ALA C C 68 179.540 179.540 179.465 0.075 25484 1793 1 4 . 1 1 68 68 ALA CA C 68 55.450 55.450 54.902 0.548 25484 1794 1 4 . 1 1 68 68 ALA CB C 68 18.220 18.220 18.712 -0.492 25484 1795 1 4 . 1 1 68 68 ALA H H 68 8.604 8.604 8.507 0.097 25484 1796 1 4 . 1 1 69 69 TYR HA H 69 4.345 4.345 4.418 -0.073 25484 1797 1 4 . 1 1 69 69 TYR CA C 69 57.750 57.750 59.185 -1.435 25484 1798 1 4 . 1 1 69 69 TYR CB C 69 38.580 38.580 37.451 1.129 25484 1799 1 4 . 1 1 71 71 ALA HA H 71 4.000 4.000 3.840 0.160 25484 1800 1 4 . 1 1 71 71 ALA C C 71 179.540 179.540 179.106 0.434 25484 1801 1 4 . 1 1 71 71 ALA CA C 71 54.850 54.850 55.326 -0.476 25484 1802 1 4 . 1 1 71 71 ALA CB C 71 19.650 19.650 18.182 1.468 25484 1803 1 4 . 1 1 72 72 LYS N N 72 114.680 114.680 115.940 -1.260 25484 1804 1 4 . 1 1 72 72 LYS HA H 72 3.904 3.904 3.986 -0.082 25484 1805 1 4 . 1 1 72 72 LYS C C 72 177.120 177.120 178.309 -1.189 25484 1806 1 4 . 1 1 72 72 LYS CA C 72 58.230 58.230 59.058 -0.828 25484 1807 1 4 . 1 1 72 72 LYS CB C 72 32.340 32.340 32.617 -0.277 25484 1808 1 4 . 1 1 72 72 LYS H H 72 7.080 7.080 8.259 -1.179 25484 1809 1 4 . 1 1 73 73 HIS N N 73 113.498 113.498 115.467 -1.969 25484 1810 1 4 . 1 1 73 73 HIS HA H 73 4.826 4.826 4.592 0.234 25484 1811 1 4 . 1 1 73 73 HIS C C 73 173.660 173.660 175.437 -1.777 25484 1812 1 4 . 1 1 73 73 HIS CA C 73 54.380 54.380 57.521 -3.141 25484 1813 1 4 . 1 1 73 73 HIS CB C 73 30.350 30.350 31.841 -1.491 25484 1814 1 4 . 1 1 73 73 HIS H H 73 7.250 7.250 7.978 -0.728 25484 1815 1 4 . 1 1 74 74 CYS N N 74 123.830 123.830 121.476 2.354 25484 1816 1 4 . 1 1 74 74 CYS HA H 74 4.150 4.150 4.120 0.030 25484 1817 1 4 . 1 1 74 74 CYS C C 74 176.480 176.480 174.141 2.339 25484 1818 1 4 . 1 1 74 74 CYS CA C 74 60.250 60.250 59.637 0.613 25484 1819 1 4 . 1 1 74 74 CYS CB C 74 29.930 29.930 25.999 3.931 25484 1820 1 4 . 1 1 74 74 CYS H H 74 7.140 7.140 8.243 -1.103 25484 1821 1 4 . 1 1 75 75 GLN N N 75 128.740 128.740 127.042 1.698 25484 1822 1 4 . 1 1 75 75 GLN HA H 75 4.685 4.685 4.331 0.354 25484 1823 1 4 . 1 1 75 75 GLN C C 75 176.090 176.090 175.157 0.933 25484 1824 1 4 . 1 1 75 75 GLN CA C 75 54.900 54.900 55.252 -0.352 25484 1825 1 4 . 1 1 75 75 GLN CB C 75 29.840 29.840 27.989 1.851 25484 1826 1 4 . 1 1 75 75 GLN H H 75 9.088 9.088 8.276 0.812 25484 1827 1 4 . 1 1 76 76 GLU N N 76 123.190 123.190 124.074 -0.884 25484 1828 1 4 . 1 1 76 76 GLU HA H 76 4.480 4.480 4.495 -0.015 25484 1829 1 4 . 1 1 76 76 GLU C C 76 177.030 177.030 174.698 2.332 25484 1830 1 4 . 1 1 76 76 GLU CA C 76 56.210 56.210 55.703 0.507 25484 1831 1 4 . 1 1 76 76 GLU CB C 76 30.660 30.660 32.630 -1.970 25484 1832 1 4 . 1 1 76 76 GLU H H 76 8.390 8.390 7.831 0.559 25484 1833 1 4 . 1 1 77 77 ASN N N 77 124.760 124.760 119.695 5.065 25484 1834 1 4 . 1 1 77 77 ASN HA H 77 4.549 4.549 4.805 -0.256 25484 1835 1 4 . 1 1 77 77 ASN C C 77 176.070 176.070 175.564 0.506 25484 1836 1 4 . 1 1 77 77 ASN CA C 77 55.100 55.100 52.510 2.590 25484 1837 1 4 . 1 1 77 77 ASN CB C 77 38.650 38.650 39.418 -0.768 25484 1838 1 4 . 1 1 77 77 ASN H H 77 8.848 8.848 8.664 0.184 25484 1839 1 4 . 1 1 78 78 LYS N N 78 120.810 120.810 121.793 -0.983 25484 1840 1 4 . 1 1 78 78 LYS HA H 78 4.460 4.460 4.135 0.325 25484 1841 1 4 . 1 1 78 78 LYS C C 78 175.230 175.230 175.418 -0.188 25484 1842 1 4 . 1 1 78 78 LYS CA C 78 54.920 54.920 57.329 -2.409 25484 1843 1 4 . 1 1 78 78 LYS CB C 78 31.020 31.020 32.942 -1.922 25484 1844 1 4 . 1 1 78 78 LYS H H 78 8.636 8.636 8.168 0.468 25484 1845 1 4 . 1 1 80 80 PRO HA H 80 4.710 4.710 4.617 0.093 25484 1846 1 4 . 1 1 80 80 PRO CA C 80 62.850 62.850 63.262 -0.412 25484 1847 1 4 . 1 1 80 80 PRO CB C 80 32.150 32.150 32.845 -0.695 25484 1848 1 4 . 1 1 81 81 VAL HA H 81 3.578 3.578 4.384 -0.806 25484 1849 1 4 . 1 1 81 81 VAL CA C 81 62.350 62.350 57.892 4.457 25484 1850 1 4 . 1 1 81 81 VAL CB C 81 31.616 31.616 32.523 -0.907 25484 1851 1 4 . 1 1 82 82 PRO HA H 82 4.850 4.850 4.120 0.730 25484 1852 1 4 . 1 1 82 82 PRO CA C 82 63.350 63.350 62.472 0.878 25484 1853 1 4 . 1 1 82 82 PRO CB C 82 32.050 32.050 32.392 -0.341 25484 1854 1 4 . 1 1 83 83 PHE HA H 83 4.160 4.160 4.492 -0.332 25484 1855 1 4 . 1 1 83 83 PHE CA C 83 58.950 58.950 58.669 0.281 25484 1856 1 4 . 1 1 83 83 PHE CB C 83 38.250 38.250 36.100 2.150 25484 1857 1 4 . 1 1 84 84 CYS HA H 84 4.597 4.597 4.781 -0.184 25484 1858 1 4 . 1 1 84 84 CYS CA C 84 56.750 56.750 55.815 0.935 25484 1859 1 4 . 1 1 84 84 CYS CB C 84 30.150 30.150 30.382 -0.232 25484 1860 1 4 . 1 1 85 85 LEU N N 85 119.930 119.930 122.314 -2.384 25484 1861 1 4 . 1 1 85 85 LEU HA H 85 3.958 3.958 4.042 -0.084 25484 1862 1 4 . 1 1 85 85 LEU CA C 85 59.350 59.350 57.881 1.469 25484 1863 1 4 . 1 1 85 85 LEU CB C 85 38.180 38.180 40.286 -2.106 25484 1864 1 4 . 1 1 85 85 LEU H H 85 8.220 8.220 8.430 -0.210 25484 1865 1 4 . 1 1 86 86 ASN N N 86 115.750 115.750 114.911 0.839 25484 1866 1 4 . 1 1 86 86 ASN HA H 86 4.580 4.580 4.517 0.063 25484 1867 1 4 . 1 1 86 86 ASN CA C 86 51.860 51.860 54.380 -2.521 25484 1868 1 4 . 1 1 86 86 ASN CB C 86 38.610 38.610 38.344 0.266 25484 1869 1 4 . 1 1 86 86 ASN H H 86 7.789 7.789 7.519 0.270 25484 1870 1 4 . 1 1 87 87 ILE N N 87 123.260 123.260 120.511 2.749 25484 1871 1 4 . 1 1 87 87 ILE HA H 87 4.220 4.220 4.038 0.182 25484 1872 1 4 . 1 1 87 87 ILE CA C 87 61.850 61.850 61.818 0.032 25484 1873 1 4 . 1 1 87 87 ILE CB C 87 41.330 41.330 38.605 2.725 25484 1874 1 4 . 1 1 87 87 ILE H H 87 7.160 7.160 8.565 -1.405 25484 1875 1 4 . 1 1 88 88 LYS HA H 88 4.450 4.450 4.357 0.093 25484 1876 1 4 . 1 1 88 88 LYS CA C 88 54.530 54.530 55.823 -1.293 25484 1877 1 4 . 1 1 88 88 LYS CB C 88 31.450 31.450 30.871 0.579 25484 1878 1 4 . 1 1 89 89 GLN HA H 89 4.450 4.450 4.490 -0.040 25484 1879 1 4 . 1 1 89 89 GLN CA C 89 56.210 56.210 54.801 1.409 25484 1880 1 4 . 1 1 89 89 GLN CB C 89 29.250 29.250 29.167 0.083 25484 1881 1 5 . 1 1 2 2 THR HA H 2 4.415 4.415 4.464 -0.049 25484 1882 1 5 . 1 1 2 2 THR C C 2 174.580 174.580 173.949 0.631 25484 1883 1 5 . 1 1 2 2 THR CA C 2 62.450 62.450 62.723 -0.273 25484 1884 1 5 . 1 1 2 2 THR CB C 2 70.050 70.050 69.561 0.489 25484 1885 1 5 . 1 1 3 3 GLN N N 3 123.423 123.423 119.303 4.120 25484 1886 1 5 . 1 1 3 3 GLN HA H 3 4.480 4.480 4.591 -0.111 25484 1887 1 5 . 1 1 3 3 GLN C C 3 176.040 176.040 175.266 0.774 25484 1888 1 5 . 1 1 3 3 GLN CA C 3 55.950 55.950 55.807 0.143 25484 1889 1 5 . 1 1 3 3 GLN CB C 3 30.550 30.550 30.129 0.421 25484 1890 1 5 . 1 1 3 3 GLN H H 3 8.536 8.536 8.287 0.249 25484 1891 1 5 . 1 1 4 4 SER N N 4 119.390 119.390 115.646 3.744 25484 1892 1 5 . 1 1 4 4 SER HA H 4 4.834 4.834 4.702 0.132 25484 1893 1 5 . 1 1 4 4 SER C C 4 173.640 173.640 173.882 -0.242 25484 1894 1 5 . 1 1 4 4 SER CA C 4 56.250 56.250 59.288 -3.038 25484 1895 1 5 . 1 1 4 4 SER CB C 4 63.400 63.400 62.487 0.913 25484 1896 1 5 . 1 1 4 4 SER H H 4 8.150 8.150 8.220 -0.070 25484 1897 1 5 . 1 1 5 5 PRO HA H 5 4.480 4.480 4.438 0.042 25484 1898 1 5 . 1 1 5 5 PRO C C 5 178.180 178.180 176.100 2.080 25484 1899 1 5 . 1 1 5 5 PRO CA C 5 64.040 64.040 63.436 0.604 25484 1900 1 5 . 1 1 5 5 PRO CB C 5 32.120 32.120 32.022 0.098 25484 1901 1 5 . 1 1 6 6 GLY N N 6 108.600 108.600 106.558 2.042 25484 1902 1 5 . 1 1 6 6 GLY C C 6 174.930 174.930 174.266 0.664 25484 1903 1 5 . 1 1 6 6 GLY CA C 6 45.750 45.750 44.625 1.125 25484 1904 1 5 . 1 1 6 6 GLY H H 6 8.470 8.470 7.767 0.703 25484 1905 1 5 . 1 1 7 7 ASP N N 7 121.260 121.260 122.593 -1.333 25484 1906 1 5 . 1 1 7 7 ASP HA H 7 4.660 4.660 4.326 0.334 25484 1907 1 5 . 1 1 7 7 ASP C C 7 177.580 177.580 177.372 0.208 25484 1908 1 5 . 1 1 7 7 ASP CA C 7 55.200 55.200 57.923 -2.723 25484 1909 1 5 . 1 1 7 7 ASP CB C 7 41.400 41.400 41.254 0.146 25484 1910 1 5 . 1 1 7 7 ASP H H 7 8.130 8.130 7.818 0.312 25484 1911 1 5 . 1 1 8 8 SER N N 8 116.818 116.818 113.788 3.030 25484 1912 1 5 . 1 1 8 8 SER HA H 8 4.340 4.340 4.218 0.122 25484 1913 1 5 . 1 1 8 8 SER C C 8 176.310 176.310 176.651 -0.341 25484 1914 1 5 . 1 1 8 8 SER CA C 8 60.050 60.050 62.029 -1.979 25484 1915 1 5 . 1 1 8 8 SER CB C 8 63.190 63.190 62.740 0.450 25484 1916 1 5 . 1 1 8 8 SER H H 8 8.372 8.372 8.704 -0.332 25484 1917 1 5 . 1 1 9 9 ARG N N 9 123.150 123.150 121.682 1.468 25484 1918 1 5 . 1 1 9 9 ARG HA H 9 4.260 4.260 4.085 0.175 25484 1919 1 5 . 1 1 9 9 ARG C C 9 177.710 177.710 178.624 -0.914 25484 1920 1 5 . 1 1 9 9 ARG CA C 9 58.050 58.050 59.269 -1.218 25484 1921 1 5 . 1 1 9 9 ARG CB C 9 30.350 30.350 30.261 0.089 25484 1922 1 5 . 1 1 9 9 ARG H H 9 8.308 8.308 7.509 0.799 25484 1923 1 5 . 1 1 10 10 ARG N N 10 119.940 119.940 119.872 0.068 25484 1924 1 5 . 1 1 10 10 ARG HA H 10 4.110 4.110 4.129 -0.019 25484 1925 1 5 . 1 1 10 10 ARG C C 10 178.180 178.180 178.954 -0.774 25484 1926 1 5 . 1 1 10 10 ARG CA C 10 58.420 58.420 58.861 -0.441 25484 1927 1 5 . 1 1 10 10 ARG CB C 10 30.260 30.260 29.684 0.576 25484 1928 1 5 . 1 1 10 10 ARG H H 10 8.075 8.075 8.268 -0.193 25484 1929 1 5 . 1 1 11 11 LEU N N 11 121.060 121.060 120.458 0.602 25484 1930 1 5 . 1 1 11 11 LEU HA H 11 4.225 4.225 4.366 -0.141 25484 1931 1 5 . 1 1 11 11 LEU C C 11 179.950 179.950 179.007 0.943 25484 1932 1 5 . 1 1 11 11 LEU CA C 11 57.450 57.450 58.304 -0.854 25484 1933 1 5 . 1 1 11 11 LEU CB C 11 41.910 41.910 41.628 0.282 25484 1934 1 5 . 1 1 11 11 LEU H H 11 8.160 8.160 8.891 -0.731 25484 1935 1 5 . 1 1 12 12 SER N N 12 116.470 116.470 115.297 1.173 25484 1936 1 5 . 1 1 12 12 SER HA H 12 4.317 4.317 4.249 0.068 25484 1937 1 5 . 1 1 12 12 SER C C 12 176.960 176.960 176.831 0.129 25484 1938 1 5 . 1 1 12 12 SER CA C 12 60.760 60.760 61.353 -0.593 25484 1939 1 5 . 1 1 12 12 SER CB C 12 63.350 63.350 62.678 0.672 25484 1940 1 5 . 1 1 12 12 SER H H 12 8.179 8.179 7.756 0.423 25484 1941 1 5 . 1 1 13 13 ILE N N 13 123.740 123.740 122.785 0.955 25484 1942 1 5 . 1 1 13 13 ILE HA H 13 3.690 3.690 3.700 -0.010 25484 1943 1 5 . 1 1 13 13 ILE C C 13 177.660 177.660 177.394 0.266 25484 1944 1 5 . 1 1 13 13 ILE CA C 13 64.930 64.930 64.842 0.088 25484 1945 1 5 . 1 1 13 13 ILE CB C 13 37.650 37.650 37.655 -0.005 25484 1946 1 5 . 1 1 13 13 ILE H H 13 8.130 8.130 7.965 0.165 25484 1947 1 5 . 1 1 14 14 GLN N N 14 119.220 119.220 120.290 -1.070 25484 1948 1 5 . 1 1 14 14 GLN HA H 14 4.040 4.040 3.882 0.158 25484 1949 1 5 . 1 1 14 14 GLN C C 14 179.490 179.490 178.742 0.748 25484 1950 1 5 . 1 1 14 14 GLN CA C 14 59.750 59.750 59.876 -0.126 25484 1951 1 5 . 1 1 14 14 GLN CB C 14 27.730 27.730 28.428 -0.698 25484 1952 1 5 . 1 1 14 14 GLN H H 14 8.113 8.113 8.826 -0.713 25484 1953 1 5 . 1 1 15 15 ARG N N 15 119.160 119.160 118.359 0.801 25484 1954 1 5 . 1 1 15 15 ARG HA H 15 4.150 4.150 4.086 0.064 25484 1955 1 5 . 1 1 15 15 ARG C C 15 179.460 179.460 178.230 1.230 25484 1956 1 5 . 1 1 15 15 ARG CA C 15 59.150 59.150 59.220 -0.070 25484 1957 1 5 . 1 1 15 15 ARG CB C 15 30.090 30.090 30.005 0.085 25484 1958 1 5 . 1 1 15 15 ARG H H 15 8.200 8.200 8.324 -0.124 25484 1959 1 5 . 1 1 16 16 ALA N N 16 124.140 124.140 124.267 -0.127 25484 1960 1 5 . 1 1 16 16 ALA HA H 16 3.990 3.990 4.166 -0.176 25484 1961 1 5 . 1 1 16 16 ALA C C 16 180.230 180.230 179.778 0.452 25484 1962 1 5 . 1 1 16 16 ALA CA C 16 55.550 55.550 54.901 0.648 25484 1963 1 5 . 1 1 16 16 ALA CB C 16 18.750 18.750 18.523 0.227 25484 1964 1 5 . 1 1 16 16 ALA H H 16 8.071 8.071 7.640 0.431 25484 1965 1 5 . 1 1 17 17 ILE N N 17 118.180 118.180 119.669 -1.489 25484 1966 1 5 . 1 1 17 17 ILE HA H 17 3.712 3.712 3.453 0.259 25484 1967 1 5 . 1 1 17 17 ILE C C 17 178.210 178.210 178.008 0.202 25484 1968 1 5 . 1 1 17 17 ILE CA C 17 64.870 64.870 66.135 -1.265 25484 1969 1 5 . 1 1 17 17 ILE CB C 17 37.640 37.640 37.930 -0.290 25484 1970 1 5 . 1 1 17 17 ILE H H 17 8.534 8.534 8.844 -0.310 25484 1971 1 5 . 1 1 18 18 GLN N N 18 118.960 118.960 119.165 -0.205 25484 1972 1 5 . 1 1 18 18 GLN HA H 18 4.134 4.134 3.907 0.227 25484 1973 1 5 . 1 1 18 18 GLN C C 18 180.050 180.050 178.913 1.137 25484 1974 1 5 . 1 1 18 18 GLN CA C 18 59.340 59.340 59.550 -0.210 25484 1975 1 5 . 1 1 18 18 GLN CB C 18 28.030 28.030 28.450 -0.419 25484 1976 1 5 . 1 1 18 18 GLN H H 18 8.200 8.200 8.681 -0.481 25484 1977 1 5 . 1 1 19 19 SER N N 19 116.320 116.320 116.603 -0.283 25484 1978 1 5 . 1 1 19 19 SER HA H 19 4.388 4.388 4.146 0.242 25484 1979 1 5 . 1 1 19 19 SER C C 19 176.460 176.460 176.368 0.092 25484 1980 1 5 . 1 1 19 19 SER CA C 19 62.250 62.250 62.546 -0.296 25484 1981 1 5 . 1 1 19 19 SER CB C 19 63.270 63.270 63.025 0.245 25484 1982 1 5 . 1 1 19 19 SER H H 19 8.190 8.190 8.485 -0.295 25484 1983 1 5 . 1 1 20 20 LEU N N 20 125.540 125.540 124.248 1.292 25484 1984 1 5 . 1 1 20 20 LEU HA H 20 4.075 4.075 3.963 0.112 25484 1985 1 5 . 1 1 20 20 LEU C C 20 177.640 177.640 178.397 -0.757 25484 1986 1 5 . 1 1 20 20 LEU CA C 20 58.750 58.750 58.357 0.393 25484 1987 1 5 . 1 1 20 20 LEU CB C 20 42.390 42.390 41.856 0.534 25484 1988 1 5 . 1 1 20 20 LEU H H 20 8.290 8.290 8.179 0.111 25484 1989 1 5 . 1 1 21 21 VAL N N 21 118.690 118.690 118.190 0.500 25484 1990 1 5 . 1 1 21 21 VAL HA H 21 3.356 3.356 3.462 -0.106 25484 1991 1 5 . 1 1 21 21 VAL C C 21 178.770 178.770 178.086 0.684 25484 1992 1 5 . 1 1 21 21 VAL CA C 21 66.850 66.850 67.288 -0.438 25484 1993 1 5 . 1 1 21 21 VAL CB C 21 31.450 31.450 30.924 0.526 25484 1994 1 5 . 1 1 21 21 VAL H H 21 8.532 8.532 8.909 -0.377 25484 1995 1 5 . 1 1 22 22 HIS N N 22 116.230 116.230 119.926 -3.696 25484 1996 1 5 . 1 1 22 22 HIS HA H 22 4.230 4.230 4.211 0.019 25484 1997 1 5 . 1 1 22 22 HIS C C 22 178.420 178.420 177.070 1.350 25484 1998 1 5 . 1 1 22 22 HIS CA C 22 59.980 59.980 60.241 -0.261 25484 1999 1 5 . 1 1 22 22 HIS CB C 22 27.830 27.830 29.895 -2.065 25484 2000 1 5 . 1 1 22 22 HIS H H 22 7.980 7.980 8.435 -0.455 25484 2001 1 5 . 1 1 23 23 ALA N N 23 121.520 121.520 121.220 0.300 25484 2002 1 5 . 1 1 23 23 ALA HA H 23 4.225 4.225 4.205 0.020 25484 2003 1 5 . 1 1 23 23 ALA C C 23 179.540 179.540 178.478 1.062 25484 2004 1 5 . 1 1 23 23 ALA CA C 23 55.250 55.250 54.833 0.417 25484 2005 1 5 . 1 1 23 23 ALA CB C 23 19.550 19.550 18.628 0.922 25484 2006 1 5 . 1 1 23 23 ALA H H 23 8.640 8.640 8.556 0.084 25484 2007 1 5 . 1 1 24 24 ALA N N 24 116.860 116.860 119.247 -2.387 25484 2008 1 5 . 1 1 24 24 ALA HA H 24 4.100 4.100 4.034 0.066 25484 2009 1 5 . 1 1 24 24 ALA C C 24 178.130 178.130 179.491 -1.361 25484 2010 1 5 . 1 1 24 24 ALA CA C 24 54.090 54.090 54.392 -0.303 25484 2011 1 5 . 1 1 24 24 ALA CB C 24 18.750 18.750 18.683 0.067 25484 2012 1 5 . 1 1 24 24 ALA H H 24 8.260 8.260 7.793 0.467 25484 2013 1 5 . 1 1 25 25 GLN N N 25 112.450 112.450 117.788 -5.338 25484 2014 1 5 . 1 1 25 25 GLN HA H 25 4.495 4.495 4.129 0.366 25484 2015 1 5 . 1 1 25 25 GLN C C 25 174.940 174.940 176.420 -1.480 25484 2016 1 5 . 1 1 25 25 GLN CA C 25 54.650 54.650 56.735 -2.085 25484 2017 1 5 . 1 1 25 25 GLN CB C 25 30.650 30.650 29.954 0.696 25484 2018 1 5 . 1 1 25 25 GLN H H 25 7.260 7.260 8.205 -0.945 25484 2019 1 5 . 1 1 26 26 CYS N N 26 124.510 124.510 120.286 4.224 25484 2020 1 5 . 1 1 26 26 CYS HA H 26 3.915 3.915 4.230 -0.315 25484 2021 1 5 . 1 1 26 26 CYS C C 26 176.690 176.690 173.513 3.177 25484 2022 1 5 . 1 1 26 26 CYS CA C 26 60.980 60.980 59.028 1.952 25484 2023 1 5 . 1 1 26 26 CYS CB C 26 29.350 29.350 28.993 0.357 25484 2024 1 5 . 1 1 26 26 CYS H H 26 7.365 7.365 8.335 -0.970 25484 2025 1 5 . 1 1 27 27 ARG N N 27 129.870 129.870 127.251 2.619 25484 2026 1 5 . 1 1 27 27 ARG HA H 27 4.635 4.635 4.501 0.134 25484 2027 1 5 . 1 1 27 27 ARG C C 27 175.660 175.660 173.878 1.782 25484 2028 1 5 . 1 1 27 27 ARG CA C 27 54.550 54.550 55.047 -0.498 25484 2029 1 5 . 1 1 27 27 ARG CB C 27 30.350 30.350 29.011 1.339 25484 2030 1 5 . 1 1 27 27 ARG H H 27 8.880 8.880 8.402 0.478 25484 2031 1 5 . 1 1 28 28 ASN N N 28 120.810 120.810 121.533 -0.723 25484 2032 1 5 . 1 1 28 28 ASN HA H 28 4.870 4.870 4.795 0.075 25484 2033 1 5 . 1 1 28 28 ASN C C 28 176.120 176.120 174.895 1.225 25484 2034 1 5 . 1 1 28 28 ASN CA C 28 51.930 51.930 53.130 -1.200 25484 2035 1 5 . 1 1 28 28 ASN CB C 28 39.060 39.060 40.596 -1.536 25484 2036 1 5 . 1 1 28 28 ASN H H 28 7.980 7.980 7.993 -0.013 25484 2037 1 5 . 1 1 29 29 ALA N N 29 130.470 130.470 126.995 3.475 25484 2038 1 5 . 1 1 29 29 ALA HA H 29 4.133 4.133 4.253 -0.120 25484 2039 1 5 . 1 1 29 29 ALA C C 29 178.380 178.380 176.623 1.757 25484 2040 1 5 . 1 1 29 29 ALA CA C 29 54.290 54.290 53.520 0.770 25484 2041 1 5 . 1 1 29 29 ALA CB C 29 18.370 18.370 19.324 -0.954 25484 2042 1 5 . 1 1 29 29 ALA H H 29 9.134 9.134 8.648 0.486 25484 2043 1 5 . 1 1 30 30 ASN N N 30 114.590 114.590 114.096 0.494 25484 2044 1 5 . 1 1 30 30 ASN HA H 30 4.875 4.875 5.230 -0.355 25484 2045 1 5 . 1 1 30 30 ASN C C 30 174.530 174.530 174.302 0.228 25484 2046 1 5 . 1 1 30 30 ASN CA C 30 51.930 51.930 52.039 -0.109 25484 2047 1 5 . 1 1 30 30 ASN CB C 30 38.910 38.910 39.587 -0.678 25484 2048 1 5 . 1 1 30 30 ASN H H 30 8.114 8.114 7.887 0.227 25484 2049 1 5 . 1 1 31 31 CYS N N 31 123.270 123.270 121.556 1.714 25484 2050 1 5 . 1 1 31 31 CYS HA H 31 4.050 4.050 4.282 -0.232 25484 2051 1 5 . 1 1 31 31 CYS C C 31 177.170 177.170 174.644 2.526 25484 2052 1 5 . 1 1 31 31 CYS CA C 31 61.880 61.880 60.218 1.663 25484 2053 1 5 . 1 1 31 31 CYS CB C 31 30.010 30.010 28.689 1.321 25484 2054 1 5 . 1 1 31 31 CYS H H 31 7.210 7.210 7.536 -0.326 25484 2055 1 5 . 1 1 32 32 SER N N 32 124.300 124.300 125.345 -1.045 25484 2056 1 5 . 1 1 32 32 SER HA H 32 4.609 4.609 4.597 0.012 25484 2057 1 5 . 1 1 32 32 SER C C 32 175.020 175.020 173.005 2.015 25484 2058 1 5 . 1 1 32 32 SER CA C 32 58.010 58.010 58.088 -0.078 25484 2059 1 5 . 1 1 32 32 SER CB C 32 64.120 64.120 63.066 1.054 25484 2060 1 5 . 1 1 32 32 SER H H 32 8.767 8.767 8.590 0.177 25484 2061 1 5 . 1 1 33 33 LEU N N 33 128.860 128.860 127.569 1.291 25484 2062 1 5 . 1 1 33 33 LEU HA H 33 4.538 4.538 4.979 -0.441 25484 2063 1 5 . 1 1 33 33 LEU C C 33 177.230 177.230 174.695 2.535 25484 2064 1 5 . 1 1 33 33 LEU CA C 33 54.450 54.450 51.304 3.146 25484 2065 1 5 . 1 1 33 33 LEU CB C 33 40.970 40.970 42.914 -1.944 25484 2066 1 5 . 1 1 33 33 LEU H H 33 8.546 8.546 7.550 0.996 25484 2067 1 5 . 1 1 34 34 PRO HA H 34 4.370 4.370 4.374 -0.004 25484 2068 1 5 . 1 1 34 34 PRO C C 34 178.640 178.640 178.575 0.065 25484 2069 1 5 . 1 1 34 34 PRO CA C 34 65.530 65.530 65.595 -0.065 25484 2070 1 5 . 1 1 34 34 PRO CB C 34 31.970 31.970 31.913 0.057 25484 2071 1 5 . 1 1 35 35 SER N N 35 111.940 111.940 113.988 -2.048 25484 2072 1 5 . 1 1 35 35 SER HA H 35 4.127 4.127 4.356 -0.229 25484 2073 1 5 . 1 1 35 35 SER C C 35 174.750 174.750 176.263 -1.513 25484 2074 1 5 . 1 1 35 35 SER CA C 35 60.100 60.100 61.102 -1.002 25484 2075 1 5 . 1 1 35 35 SER CB C 35 62.910 62.910 62.781 0.129 25484 2076 1 5 . 1 1 35 35 SER H H 35 8.350 8.350 8.626 -0.276 25484 2077 1 5 . 1 1 36 36 CYS N N 36 125.790 125.790 123.171 2.619 25484 2078 1 5 . 1 1 36 36 CYS HA H 36 4.215 4.215 4.114 0.101 25484 2079 1 5 . 1 1 36 36 CYS C C 36 177.070 177.070 175.995 1.075 25484 2080 1 5 . 1 1 36 36 CYS CA C 36 63.900 63.900 62.132 1.768 25484 2081 1 5 . 1 1 36 36 CYS CB C 36 29.650 29.650 27.243 2.407 25484 2082 1 5 . 1 1 36 36 CYS H H 36 7.490 7.490 8.062 -0.572 25484 2083 1 5 . 1 1 37 37 GLN N N 37 115.860 115.860 119.016 -3.156 25484 2084 1 5 . 1 1 37 37 GLN HA H 37 4.010 4.010 3.814 0.196 25484 2085 1 5 . 1 1 37 37 GLN C C 37 179.690 179.690 178.366 1.324 25484 2086 1 5 . 1 1 37 37 GLN CA C 37 59.980 59.980 59.208 0.772 25484 2087 1 5 . 1 1 37 37 GLN CB C 37 27.820 27.820 28.253 -0.433 25484 2088 1 5 . 1 1 37 37 GLN H H 37 8.170 8.170 8.623 -0.453 25484 2089 1 5 . 1 1 38 38 LYS N N 38 117.470 117.470 119.425 -1.955 25484 2090 1 5 . 1 1 38 38 LYS HA H 38 4.060 4.060 4.004 0.056 25484 2091 1 5 . 1 1 38 38 LYS C C 38 179.230 179.230 179.316 -0.086 25484 2092 1 5 . 1 1 38 38 LYS CA C 38 59.450 59.450 59.266 0.184 25484 2093 1 5 . 1 1 38 38 LYS CB C 38 32.650 32.650 32.211 0.439 25484 2094 1 5 . 1 1 38 38 LYS H H 38 7.920 7.920 8.070 -0.150 25484 2095 1 5 . 1 1 39 39 MET N N 39 118.050 118.050 118.238 -0.188 25484 2096 1 5 . 1 1 39 39 MET HA H 39 4.559 4.559 4.139 0.420 25484 2097 1 5 . 1 1 39 39 MET C C 39 179.720 179.720 178.453 1.267 25484 2098 1 5 . 1 1 39 39 MET CA C 39 57.250 57.250 58.305 -1.055 25484 2099 1 5 . 1 1 39 39 MET CB C 39 32.550 32.550 32.102 0.448 25484 2100 1 5 . 1 1 39 39 MET H H 39 8.370 8.370 7.631 0.739 25484 2101 1 5 . 1 1 40 40 LYS N N 40 121.630 121.630 120.356 1.274 25484 2102 1 5 . 1 1 40 40 LYS HA H 40 3.840 3.840 3.958 -0.118 25484 2103 1 5 . 1 1 40 40 LYS C C 40 180.150 180.150 179.169 0.981 25484 2104 1 5 . 1 1 40 40 LYS CA C 40 61.520 61.520 60.202 1.318 25484 2105 1 5 . 1 1 40 40 LYS CB C 40 32.620 32.620 32.280 0.340 25484 2106 1 5 . 1 1 40 40 LYS H H 40 9.490 9.490 8.614 0.876 25484 2107 1 5 . 1 1 41 41 ARG N N 41 118.300 118.300 117.454 0.846 25484 2108 1 5 . 1 1 41 41 ARG HA H 41 4.180 4.180 4.178 0.002 25484 2109 1 5 . 1 1 41 41 ARG C C 41 180.080 180.080 177.839 2.241 25484 2110 1 5 . 1 1 41 41 ARG CA C 41 59.750 59.750 58.616 1.134 25484 2111 1 5 . 1 1 41 41 ARG CB C 41 30.010 30.010 30.133 -0.123 25484 2112 1 5 . 1 1 41 41 ARG H H 41 7.610 7.610 7.995 -0.385 25484 2113 1 5 . 1 1 42 42 VAL N N 42 121.750 121.750 119.097 2.653 25484 2114 1 5 . 1 1 42 42 VAL HA H 42 3.745 3.745 4.014 -0.269 25484 2115 1 5 . 1 1 42 42 VAL C C 42 178.130 178.130 177.461 0.669 25484 2116 1 5 . 1 1 42 42 VAL CA C 42 66.760 66.760 64.654 2.106 25484 2117 1 5 . 1 1 42 42 VAL CB C 42 31.520 31.520 32.772 -1.252 25484 2118 1 5 . 1 1 42 42 VAL H H 42 7.760 7.760 7.736 0.024 25484 2119 1 5 . 1 1 43 43 VAL N N 43 120.580 120.580 121.867 -1.287 25484 2120 1 5 . 1 1 43 43 VAL HA H 43 3.531 3.531 3.592 -0.061 25484 2121 1 5 . 1 1 43 43 VAL C C 43 179.310 179.310 178.600 0.710 25484 2122 1 5 . 1 1 43 43 VAL CA C 43 67.120 67.120 67.200 -0.080 25484 2123 1 5 . 1 1 43 43 VAL CB C 43 31.510 31.510 30.985 0.525 25484 2124 1 5 . 1 1 43 43 VAL H H 43 8.500 8.500 8.504 -0.004 25484 2125 1 5 . 1 1 44 44 GLN N N 44 119.280 119.280 116.529 2.751 25484 2126 1 5 . 1 1 44 44 GLN HA H 44 4.010 4.010 4.064 -0.054 25484 2127 1 5 . 1 1 44 44 GLN C C 44 179.330 179.330 178.486 0.844 25484 2128 1 5 . 1 1 44 44 GLN CA C 44 59.060 59.060 58.693 0.367 25484 2129 1 5 . 1 1 44 44 GLN CB C 44 28.030 28.030 28.237 -0.207 25484 2130 1 5 . 1 1 44 44 GLN H H 44 8.400 8.400 8.692 -0.292 25484 2131 1 5 . 1 1 45 45 HIS N N 45 119.160 119.160 119.314 -0.154 25484 2132 1 5 . 1 1 45 45 HIS HA H 45 4.283 4.283 4.291 -0.008 25484 2133 1 5 . 1 1 45 45 HIS C C 45 178.250 178.250 177.418 0.832 25484 2134 1 5 . 1 1 45 45 HIS CA C 45 59.950 59.950 59.980 -0.030 25484 2135 1 5 . 1 1 45 45 HIS CB C 45 27.150 27.150 29.730 -2.580 25484 2136 1 5 . 1 1 45 45 HIS H H 45 8.190 8.190 8.073 0.117 25484 2137 1 5 . 1 1 46 46 THR N N 46 111.110 111.110 115.320 -4.210 25484 2138 1 5 . 1 1 46 46 THR HA H 46 3.859 3.859 3.991 -0.132 25484 2139 1 5 . 1 1 46 46 THR C C 46 176.350 176.350 177.076 -0.726 25484 2140 1 5 . 1 1 46 46 THR CA C 46 65.670 65.670 66.864 -1.194 25484 2141 1 5 . 1 1 46 46 THR CB C 46 69.190 69.190 68.627 0.563 25484 2142 1 5 . 1 1 46 46 THR H H 46 7.980 7.980 8.378 -0.398 25484 2143 1 5 . 1 1 47 47 LYS N N 47 120.510 120.510 120.499 0.011 25484 2144 1 5 . 1 1 47 47 LYS HA H 47 4.090 4.090 4.125 -0.035 25484 2145 1 5 . 1 1 47 47 LYS C C 47 178.150 178.150 178.634 -0.484 25484 2146 1 5 . 1 1 47 47 LYS CA C 47 58.750 58.750 59.295 -0.545 25484 2147 1 5 . 1 1 47 47 LYS CB C 47 32.360 32.360 32.198 0.162 25484 2148 1 5 . 1 1 47 47 LYS H H 47 7.410 7.410 7.687 -0.277 25484 2149 1 5 . 1 1 48 48 GLY N N 48 104.210 104.210 105.677 -1.467 25484 2150 1 5 . 1 1 48 48 GLY C C 48 174.220 174.220 174.517 -0.297 25484 2151 1 5 . 1 1 48 48 GLY CA C 48 44.753 44.753 45.653 -0.900 25484 2152 1 5 . 1 1 48 48 GLY H H 48 7.180 7.180 8.129 -0.949 25484 2153 1 5 . 1 1 49 49 CYS N N 49 123.560 123.560 121.192 2.368 25484 2154 1 5 . 1 1 49 49 CYS HA H 49 4.010 4.010 4.501 -0.491 25484 2155 1 5 . 1 1 49 49 CYS C C 49 177.230 177.230 174.466 2.764 25484 2156 1 5 . 1 1 49 49 CYS CA C 49 61.230 61.230 57.512 3.718 25484 2157 1 5 . 1 1 49 49 CYS CB C 49 29.850 29.850 26.509 3.341 25484 2158 1 5 . 1 1 49 49 CYS H H 49 6.981 6.981 7.642 -0.661 25484 2159 1 5 . 1 1 50 50 LYS N N 50 128.350 128.350 122.528 5.822 25484 2160 1 5 . 1 1 50 50 LYS HA H 50 4.524 4.524 4.078 0.446 25484 2161 1 5 . 1 1 50 50 LYS C C 50 178.040 178.040 177.596 0.444 25484 2162 1 5 . 1 1 50 50 LYS CA C 50 56.750 56.750 57.948 -1.198 25484 2163 1 5 . 1 1 50 50 LYS CB C 50 32.950 32.950 31.947 1.003 25484 2164 1 5 . 1 1 50 50 LYS H H 50 8.999 8.999 7.865 1.134 25484 2165 1 5 . 1 1 51 51 ARG N N 51 122.550 122.550 118.150 4.400 25484 2166 1 5 . 1 1 51 51 ARG HA H 51 4.428 4.428 4.127 0.301 25484 2167 1 5 . 1 1 51 51 ARG C C 51 177.410 177.410 178.497 -1.087 25484 2168 1 5 . 1 1 51 51 ARG CA C 51 57.750 57.750 57.266 0.484 25484 2169 1 5 . 1 1 51 51 ARG CB C 51 31.860 31.860 28.926 2.934 25484 2170 1 5 . 1 1 51 51 ARG H H 51 8.558 8.558 8.382 0.176 25484 2171 1 5 . 1 1 52 52 LYS N N 52 119.040 119.040 119.148 -0.108 25484 2172 1 5 . 1 1 52 52 LYS HA H 52 4.534 4.534 4.020 0.514 25484 2173 1 5 . 1 1 52 52 LYS C C 52 177.610 177.610 178.308 -0.698 25484 2174 1 5 . 1 1 52 52 LYS CA C 52 57.970 57.970 60.445 -2.475 25484 2175 1 5 . 1 1 52 52 LYS CB C 52 32.350 32.350 31.902 0.448 25484 2176 1 5 . 1 1 52 52 LYS H H 52 8.490 8.490 8.144 0.346 25484 2177 1 5 . 1 1 53 53 THR N N 53 113.034 113.034 108.716 4.318 25484 2178 1 5 . 1 1 53 53 THR HA H 53 4.160 4.160 4.301 -0.141 25484 2179 1 5 . 1 1 53 53 THR C C 53 175.610 175.610 176.573 -0.963 25484 2180 1 5 . 1 1 53 53 THR CA C 53 64.050 64.050 63.831 0.219 25484 2181 1 5 . 1 1 53 53 THR CB C 53 69.120 69.120 68.730 0.391 25484 2182 1 5 . 1 1 53 53 THR H H 53 7.760 7.760 8.282 -0.522 25484 2183 1 5 . 1 1 54 54 ASN N N 54 119.860 119.860 121.239 -1.379 25484 2184 1 5 . 1 1 54 54 ASN HA H 54 4.920 4.920 4.584 0.336 25484 2185 1 5 . 1 1 54 54 ASN C C 54 176.330 176.330 176.447 -0.117 25484 2186 1 5 . 1 1 54 54 ASN CA C 54 53.720 53.720 55.644 -1.924 25484 2187 1 5 . 1 1 54 54 ASN CB C 54 38.350 38.350 38.648 -0.298 25484 2188 1 5 . 1 1 54 54 ASN H H 54 8.290 8.290 8.035 0.255 25484 2189 1 5 . 1 1 55 55 GLY N N 55 107.570 107.570 104.254 3.316 25484 2190 1 5 . 1 1 55 55 GLY C C 55 175.660 175.660 174.490 1.170 25484 2191 1 5 . 1 1 55 55 GLY CA C 55 45.938 45.938 44.227 1.711 25484 2192 1 5 . 1 1 55 55 GLY H H 55 8.006 8.006 7.811 0.195 25484 2193 1 5 . 1 1 56 56 GLY N N 56 107.290 107.290 108.756 -1.466 25484 2194 1 5 . 1 1 56 56 GLY C C 56 173.710 173.710 174.838 -1.128 25484 2195 1 5 . 1 1 56 56 GLY CA C 56 45.570 45.570 45.585 -0.015 25484 2196 1 5 . 1 1 56 56 GLY H H 56 7.840 7.840 7.480 0.360 25484 2197 1 5 . 1 1 57 57 CYS N N 57 122.730 122.730 120.600 2.130 25484 2198 1 5 . 1 1 57 57 CYS HA H 57 4.505 4.505 4.883 -0.378 25484 2199 1 5 . 1 1 57 57 CYS C C 57 175.090 175.090 173.174 1.916 25484 2200 1 5 . 1 1 57 57 CYS CA C 57 55.950 55.950 55.206 0.744 25484 2201 1 5 . 1 1 57 57 CYS CB C 57 30.760 30.760 28.314 2.446 25484 2202 1 5 . 1 1 57 57 CYS H H 57 8.048 8.048 7.904 0.144 25484 2203 1 5 . 1 1 58 58 PRO HA H 58 4.338 4.338 4.690 -0.352 25484 2204 1 5 . 1 1 58 58 PRO CA C 58 65.050 65.050 62.836 2.214 25484 2205 1 5 . 1 1 58 58 PRO CB C 58 32.620 32.620 30.441 2.179 25484 2206 1 5 . 1 1 59 59 ILE N N 59 121.256 121.256 123.874 -2.618 25484 2207 1 5 . 1 1 59 59 ILE HA H 59 3.818 3.818 4.239 -0.421 25484 2208 1 5 . 1 1 59 59 ILE C C 59 178.820 178.820 176.272 2.548 25484 2209 1 5 . 1 1 59 59 ILE CA C 59 64.590 64.590 63.214 1.376 25484 2210 1 5 . 1 1 59 59 ILE CB C 59 38.890 38.890 39.192 -0.302 25484 2211 1 5 . 1 1 59 59 ILE H H 59 7.900 7.900 8.968 -1.068 25484 2212 1 5 . 1 1 60 60 CYS N N 60 123.970 123.970 119.842 4.128 25484 2213 1 5 . 1 1 60 60 CYS HA H 60 4.117 4.117 4.311 -0.194 25484 2214 1 5 . 1 1 60 60 CYS C C 60 178.110 178.110 176.785 1.325 25484 2215 1 5 . 1 1 60 60 CYS CA C 60 66.090 66.090 59.977 6.113 25484 2216 1 5 . 1 1 60 60 CYS CB C 60 29.150 29.150 26.398 2.752 25484 2217 1 5 . 1 1 60 60 CYS H H 60 8.914 8.914 8.202 0.712 25484 2218 1 5 . 1 1 61 61 LYS N N 61 117.210 117.210 120.617 -3.407 25484 2219 1 5 . 1 1 61 61 LYS HA H 61 3.910 3.910 4.020 -0.110 25484 2220 1 5 . 1 1 61 61 LYS C C 61 179.460 179.460 178.169 1.291 25484 2221 1 5 . 1 1 61 61 LYS CA C 61 59.970 59.970 59.897 0.073 25484 2222 1 5 . 1 1 61 61 LYS CB C 61 32.650 32.650 32.397 0.253 25484 2223 1 5 . 1 1 61 61 LYS H H 61 8.090 8.090 8.008 0.082 25484 2224 1 5 . 1 1 62 62 GLN N N 62 117.780 117.780 118.703 -0.923 25484 2225 1 5 . 1 1 62 62 GLN HA H 62 4.203 4.203 4.151 0.052 25484 2226 1 5 . 1 1 62 62 GLN C C 62 178.564 178.564 178.594 -0.030 25484 2227 1 5 . 1 1 62 62 GLN CA C 62 58.450 58.450 58.174 0.276 25484 2228 1 5 . 1 1 62 62 GLN CB C 62 29.140 29.140 29.023 0.117 25484 2229 1 5 . 1 1 62 62 GLN H H 62 7.360 7.360 7.529 -0.169 25484 2230 1 5 . 1 1 63 63 LEU N N 63 119.930 119.930 123.403 -3.473 25484 2231 1 5 . 1 1 63 63 LEU HA H 63 4.218 4.218 4.108 0.110 25484 2232 1 5 . 1 1 63 63 LEU C C 63 179.440 179.440 177.861 1.579 25484 2233 1 5 . 1 1 63 63 LEU CA C 63 58.550 58.550 57.674 0.876 25484 2234 1 5 . 1 1 63 63 LEU CB C 63 41.910 41.910 41.782 0.128 25484 2235 1 5 . 1 1 63 63 LEU H H 63 8.075 8.075 8.887 -0.812 25484 2236 1 5 . 1 1 64 64 ILE N N 64 120.280 120.280 120.026 0.254 25484 2237 1 5 . 1 1 64 64 ILE HA H 64 3.600 3.600 3.547 0.053 25484 2238 1 5 . 1 1 64 64 ILE C C 64 177.950 177.950 177.700 0.250 25484 2239 1 5 . 1 1 64 64 ILE CA C 64 65.250 65.250 65.673 -0.423 25484 2240 1 5 . 1 1 64 64 ILE CB C 64 37.320 37.320 37.194 0.126 25484 2241 1 5 . 1 1 64 64 ILE H H 64 8.466 8.466 8.600 -0.134 25484 2242 1 5 . 1 1 65 65 ALA N N 65 122.590 122.590 122.349 0.241 25484 2243 1 5 . 1 1 65 65 ALA HA H 65 4.185 4.185 3.287 0.898 25484 2244 1 5 . 1 1 65 65 ALA C C 65 181.010 181.010 178.966 2.044 25484 2245 1 5 . 1 1 65 65 ALA CA C 65 55.220 55.220 55.014 0.206 25484 2246 1 5 . 1 1 65 65 ALA CB C 65 18.450 18.450 17.953 0.497 25484 2247 1 5 . 1 1 65 65 ALA H H 65 7.496 7.496 7.967 -0.471 25484 2248 1 5 . 1 1 66 66 LEU N N 66 115.599 115.599 120.471 -4.872 25484 2249 1 5 . 1 1 66 66 LEU HA H 66 4.100 4.100 3.983 0.117 25484 2250 1 5 . 1 1 66 66 LEU C C 66 179.380 179.380 179.130 0.250 25484 2251 1 5 . 1 1 66 66 LEU CA C 66 57.930 57.930 57.940 -0.010 25484 2252 1 5 . 1 1 66 66 LEU CB C 66 41.410 41.410 41.632 -0.222 25484 2253 1 5 . 1 1 66 66 LEU H H 66 8.139 8.139 8.202 -0.063 25484 2254 1 5 . 1 1 67 67 ALA N N 67 122.670 122.670 120.716 1.954 25484 2255 1 5 . 1 1 67 67 ALA HA H 67 3.958 3.958 3.982 -0.024 25484 2256 1 5 . 1 1 67 67 ALA C C 67 180.060 180.060 179.392 0.668 25484 2257 1 5 . 1 1 67 67 ALA CA C 67 55.750 55.750 55.257 0.493 25484 2258 1 5 . 1 1 67 67 ALA CB C 67 19.220 19.220 18.282 0.938 25484 2259 1 5 . 1 1 67 67 ALA H H 67 8.770 8.770 8.974 -0.204 25484 2260 1 5 . 1 1 68 68 ALA N N 68 120.580 120.580 122.652 -2.072 25484 2261 1 5 . 1 1 68 68 ALA HA H 68 4.142 4.142 4.351 -0.209 25484 2262 1 5 . 1 1 68 68 ALA C C 68 179.540 179.540 179.991 -0.451 25484 2263 1 5 . 1 1 68 68 ALA CA C 68 55.450 55.450 54.836 0.614 25484 2264 1 5 . 1 1 68 68 ALA CB C 68 18.220 18.220 18.589 -0.369 25484 2265 1 5 . 1 1 68 68 ALA H H 68 8.604 8.604 8.463 0.141 25484 2266 1 5 . 1 1 69 69 TYR HA H 69 4.345 4.345 4.316 0.029 25484 2267 1 5 . 1 1 69 69 TYR CA C 69 57.750 57.750 58.742 -0.992 25484 2268 1 5 . 1 1 69 69 TYR CB C 69 38.580 38.580 37.154 1.426 25484 2269 1 5 . 1 1 71 71 ALA HA H 71 4.000 4.000 3.889 0.111 25484 2270 1 5 . 1 1 71 71 ALA C C 71 179.540 179.540 179.880 -0.340 25484 2271 1 5 . 1 1 71 71 ALA CA C 71 54.850 54.850 55.104 -0.254 25484 2272 1 5 . 1 1 71 71 ALA CB C 71 19.650 19.650 18.088 1.562 25484 2273 1 5 . 1 1 72 72 LYS N N 72 114.680 114.680 115.880 -1.200 25484 2274 1 5 . 1 1 72 72 LYS HA H 72 3.904 3.904 4.028 -0.124 25484 2275 1 5 . 1 1 72 72 LYS C C 72 177.120 177.120 177.591 -0.471 25484 2276 1 5 . 1 1 72 72 LYS CA C 72 58.230 58.230 59.089 -0.859 25484 2277 1 5 . 1 1 72 72 LYS CB C 72 32.340 32.340 32.695 -0.355 25484 2278 1 5 . 1 1 72 72 LYS H H 72 7.080 7.080 8.282 -1.202 25484 2279 1 5 . 1 1 73 73 HIS N N 73 113.498 113.498 114.456 -0.958 25484 2280 1 5 . 1 1 73 73 HIS HA H 73 4.826 4.826 4.650 0.176 25484 2281 1 5 . 1 1 73 73 HIS C C 73 173.660 173.660 174.758 -1.098 25484 2282 1 5 . 1 1 73 73 HIS CA C 73 54.380 54.380 55.189 -0.809 25484 2283 1 5 . 1 1 73 73 HIS CB C 73 30.350 30.350 31.289 -0.939 25484 2284 1 5 . 1 1 73 73 HIS H H 73 7.250 7.250 7.658 -0.408 25484 2285 1 5 . 1 1 74 74 CYS N N 74 123.830 123.830 119.310 4.520 25484 2286 1 5 . 1 1 74 74 CYS HA H 74 4.150 4.150 4.625 -0.475 25484 2287 1 5 . 1 1 74 74 CYS C C 74 176.480 176.480 174.227 2.253 25484 2288 1 5 . 1 1 74 74 CYS CA C 74 60.250 60.250 57.767 2.482 25484 2289 1 5 . 1 1 74 74 CYS CB C 74 29.930 29.930 29.406 0.524 25484 2290 1 5 . 1 1 74 74 CYS H H 74 7.140 7.140 7.924 -0.784 25484 2291 1 5 . 1 1 75 75 GLN N N 75 128.740 128.740 123.804 4.936 25484 2292 1 5 . 1 1 75 75 GLN HA H 75 4.685 4.685 4.524 0.161 25484 2293 1 5 . 1 1 75 75 GLN C C 75 176.090 176.090 174.427 1.663 25484 2294 1 5 . 1 1 75 75 GLN CA C 75 54.900 54.900 55.331 -0.431 25484 2295 1 5 . 1 1 75 75 GLN CB C 75 29.840 29.840 28.319 1.521 25484 2296 1 5 . 1 1 75 75 GLN H H 75 9.088 9.088 8.410 0.678 25484 2297 1 5 . 1 1 76 76 GLU N N 76 123.190 123.190 123.558 -0.368 25484 2298 1 5 . 1 1 76 76 GLU HA H 76 4.480 4.480 4.543 -0.062 25484 2299 1 5 . 1 1 76 76 GLU C C 76 177.030 177.030 174.309 2.721 25484 2300 1 5 . 1 1 76 76 GLU CA C 76 56.210 56.210 56.388 -0.178 25484 2301 1 5 . 1 1 76 76 GLU CB C 76 30.660 30.660 31.934 -1.274 25484 2302 1 5 . 1 1 76 76 GLU H H 76 8.390 8.390 8.267 0.123 25484 2303 1 5 . 1 1 77 77 ASN N N 77 124.760 124.760 121.954 2.806 25484 2304 1 5 . 1 1 77 77 ASN HA H 77 4.549 4.549 4.812 -0.263 25484 2305 1 5 . 1 1 77 77 ASN C C 77 176.070 176.070 175.321 0.749 25484 2306 1 5 . 1 1 77 77 ASN CA C 77 55.100 55.100 53.594 1.506 25484 2307 1 5 . 1 1 77 77 ASN CB C 77 38.650 38.650 39.010 -0.360 25484 2308 1 5 . 1 1 77 77 ASN H H 77 8.848 8.848 8.734 0.114 25484 2309 1 5 . 1 1 78 78 LYS N N 78 120.810 120.810 118.904 1.906 25484 2310 1 5 . 1 1 78 78 LYS HA H 78 4.460 4.460 4.460 0.000 25484 2311 1 5 . 1 1 78 78 LYS C C 78 175.230 175.230 176.371 -1.141 25484 2312 1 5 . 1 1 78 78 LYS CA C 78 54.920 54.920 57.673 -2.753 25484 2313 1 5 . 1 1 78 78 LYS CB C 78 31.020 31.020 34.423 -3.403 25484 2314 1 5 . 1 1 78 78 LYS H H 78 8.636 8.636 8.521 0.115 25484 2315 1 5 . 1 1 80 80 PRO HA H 80 4.710 4.710 4.503 0.207 25484 2316 1 5 . 1 1 80 80 PRO CA C 80 62.850 62.850 63.525 -0.675 25484 2317 1 5 . 1 1 80 80 PRO CB C 80 32.150 32.150 32.870 -0.720 25484 2318 1 5 . 1 1 81 81 VAL HA H 81 3.578 3.578 4.318 -0.740 25484 2319 1 5 . 1 1 81 81 VAL CA C 81 62.350 62.350 57.869 4.481 25484 2320 1 5 . 1 1 81 81 VAL CB C 81 31.616 31.616 31.944 -0.328 25484 2321 1 5 . 1 1 82 82 PRO HA H 82 4.850 4.850 4.053 0.797 25484 2322 1 5 . 1 1 82 82 PRO CA C 82 63.350 63.350 62.631 0.719 25484 2323 1 5 . 1 1 82 82 PRO CB C 82 32.050 32.050 32.166 -0.116 25484 2324 1 5 . 1 1 83 83 PHE HA H 83 4.160 4.160 4.244 -0.084 25484 2325 1 5 . 1 1 83 83 PHE CA C 83 58.950 58.950 59.458 -0.508 25484 2326 1 5 . 1 1 83 83 PHE CB C 83 38.250 38.250 36.540 1.710 25484 2327 1 5 . 1 1 84 84 CYS HA H 84 4.597 4.597 4.835 -0.238 25484 2328 1 5 . 1 1 84 84 CYS CA C 84 56.750 56.750 56.346 0.404 25484 2329 1 5 . 1 1 84 84 CYS CB C 84 30.150 30.150 30.347 -0.197 25484 2330 1 5 . 1 1 85 85 LEU N N 85 119.930 119.930 120.347 -0.417 25484 2331 1 5 . 1 1 85 85 LEU HA H 85 3.958 3.958 4.062 -0.104 25484 2332 1 5 . 1 1 85 85 LEU CA C 85 59.350 59.350 57.126 2.224 25484 2333 1 5 . 1 1 85 85 LEU CB C 85 38.180 38.180 39.094 -0.914 25484 2334 1 5 . 1 1 85 85 LEU H H 85 8.220 8.220 8.524 -0.304 25484 2335 1 5 . 1 1 86 86 ASN N N 86 115.750 115.750 116.174 -0.424 25484 2336 1 5 . 1 1 86 86 ASN HA H 86 4.580 4.580 4.857 -0.277 25484 2337 1 5 . 1 1 86 86 ASN CA C 86 51.860 51.860 54.244 -2.384 25484 2338 1 5 . 1 1 86 86 ASN CB C 86 38.610 38.610 40.562 -1.952 25484 2339 1 5 . 1 1 86 86 ASN H H 86 7.789 7.789 8.311 -0.522 25484 2340 1 5 . 1 1 87 87 ILE N N 87 123.260 123.260 118.833 4.427 25484 2341 1 5 . 1 1 87 87 ILE HA H 87 4.220 4.220 4.083 0.137 25484 2342 1 5 . 1 1 87 87 ILE CA C 87 61.850 61.850 61.516 0.334 25484 2343 1 5 . 1 1 87 87 ILE CB C 87 41.330 41.330 37.764 3.567 25484 2344 1 5 . 1 1 87 87 ILE H H 87 7.160 7.160 8.347 -1.187 25484 2345 1 5 . 1 1 88 88 LYS HA H 88 4.450 4.450 4.431 0.019 25484 2346 1 5 . 1 1 88 88 LYS CA C 88 54.530 54.530 55.636 -1.106 25484 2347 1 5 . 1 1 88 88 LYS CB C 88 31.450 31.450 30.895 0.555 25484 2348 1 5 . 1 1 89 89 GLN HA H 89 4.450 4.450 4.435 0.015 25484 2349 1 5 . 1 1 89 89 GLN CA C 89 56.210 56.210 55.287 0.923 25484 2350 1 5 . 1 1 89 89 GLN CB C 89 29.250 29.250 30.360 -1.110 25484 2351 1 6 . 1 1 2 2 THR HA H 2 4.415 4.415 4.244 0.171 25484 2352 1 6 . 1 1 2 2 THR C C 2 174.580 174.580 175.490 -0.910 25484 2353 1 6 . 1 1 2 2 THR CA C 2 62.450 62.450 63.617 -1.167 25484 2354 1 6 . 1 1 2 2 THR CB C 2 70.050 70.050 69.196 0.854 25484 2355 1 6 . 1 1 3 3 GLN N N 3 123.423 123.423 117.245 6.178 25484 2356 1 6 . 1 1 3 3 GLN HA H 3 4.480 4.480 4.486 -0.006 25484 2357 1 6 . 1 1 3 3 GLN C C 3 176.040 176.040 176.907 -0.867 25484 2358 1 6 . 1 1 3 3 GLN CA C 3 55.950 55.950 56.327 -0.377 25484 2359 1 6 . 1 1 3 3 GLN CB C 3 30.550 30.550 30.062 0.488 25484 2360 1 6 . 1 1 3 3 GLN H H 3 8.536 8.536 8.206 0.330 25484 2361 1 6 . 1 1 4 4 SER N N 4 119.390 119.390 117.323 2.067 25484 2362 1 6 . 1 1 4 4 SER HA H 4 4.834 4.834 4.531 0.303 25484 2363 1 6 . 1 1 4 4 SER C C 4 173.640 173.640 173.605 0.035 25484 2364 1 6 . 1 1 4 4 SER CA C 4 56.250 56.250 60.191 -3.941 25484 2365 1 6 . 1 1 4 4 SER CB C 4 63.400 63.400 62.013 1.387 25484 2366 1 6 . 1 1 4 4 SER H H 4 8.150 8.150 8.541 -0.391 25484 2367 1 6 . 1 1 5 5 PRO HA H 5 4.480 4.480 4.511 -0.031 25484 2368 1 6 . 1 1 5 5 PRO C C 5 178.180 178.180 176.366 1.814 25484 2369 1 6 . 1 1 5 5 PRO CA C 5 64.040 64.040 63.510 0.530 25484 2370 1 6 . 1 1 5 5 PRO CB C 5 32.120 32.120 32.168 -0.048 25484 2371 1 6 . 1 1 6 6 GLY N N 6 108.600 108.600 106.235 2.365 25484 2372 1 6 . 1 1 6 6 GLY C C 6 174.930 174.930 174.638 0.292 25484 2373 1 6 . 1 1 6 6 GLY CA C 6 45.750 45.750 44.638 1.112 25484 2374 1 6 . 1 1 6 6 GLY H H 6 8.470 8.470 7.626 0.844 25484 2375 1 6 . 1 1 7 7 ASP N N 7 121.260 121.260 123.598 -2.338 25484 2376 1 6 . 1 1 7 7 ASP HA H 7 4.660 4.660 4.328 0.332 25484 2377 1 6 . 1 1 7 7 ASP C C 7 177.580 177.580 176.796 0.784 25484 2378 1 6 . 1 1 7 7 ASP CA C 7 55.200 55.200 57.622 -2.422 25484 2379 1 6 . 1 1 7 7 ASP CB C 7 41.400 41.400 41.354 0.046 25484 2380 1 6 . 1 1 7 7 ASP H H 7 8.130 8.130 8.803 -0.673 25484 2381 1 6 . 1 1 8 8 SER N N 8 116.818 116.818 114.432 2.386 25484 2382 1 6 . 1 1 8 8 SER HA H 8 4.340 4.340 4.198 0.142 25484 2383 1 6 . 1 1 8 8 SER C C 8 176.310 176.310 176.645 -0.335 25484 2384 1 6 . 1 1 8 8 SER CA C 8 60.050 60.050 61.225 -1.175 25484 2385 1 6 . 1 1 8 8 SER CB C 8 63.190 63.190 63.162 0.028 25484 2386 1 6 . 1 1 8 8 SER H H 8 8.372 8.372 8.073 0.299 25484 2387 1 6 . 1 1 9 9 ARG N N 9 123.150 123.150 121.473 1.677 25484 2388 1 6 . 1 1 9 9 ARG HA H 9 4.260 4.260 4.087 0.173 25484 2389 1 6 . 1 1 9 9 ARG C C 9 177.710 177.710 178.325 -0.615 25484 2390 1 6 . 1 1 9 9 ARG CA C 9 58.050 58.050 58.752 -0.702 25484 2391 1 6 . 1 1 9 9 ARG CB C 9 30.350 30.350 29.776 0.574 25484 2392 1 6 . 1 1 9 9 ARG H H 9 8.308 8.308 7.597 0.711 25484 2393 1 6 . 1 1 10 10 ARG N N 10 119.940 119.940 119.820 0.120 25484 2394 1 6 . 1 1 10 10 ARG HA H 10 4.110 4.110 4.058 0.052 25484 2395 1 6 . 1 1 10 10 ARG C C 10 178.180 178.180 178.875 -0.695 25484 2396 1 6 . 1 1 10 10 ARG CA C 10 58.420 58.420 59.740 -1.320 25484 2397 1 6 . 1 1 10 10 ARG CB C 10 30.260 30.260 30.163 0.097 25484 2398 1 6 . 1 1 10 10 ARG H H 10 8.075 8.075 7.979 0.096 25484 2399 1 6 . 1 1 11 11 LEU N N 11 121.060 121.060 119.680 1.380 25484 2400 1 6 . 1 1 11 11 LEU HA H 11 4.225 4.225 4.127 0.098 25484 2401 1 6 . 1 1 11 11 LEU C C 11 179.950 179.950 179.169 0.781 25484 2402 1 6 . 1 1 11 11 LEU CA C 11 57.450 57.450 58.237 -0.787 25484 2403 1 6 . 1 1 11 11 LEU CB C 11 41.910 41.910 41.526 0.384 25484 2404 1 6 . 1 1 11 11 LEU H H 11 8.160 8.160 8.818 -0.658 25484 2405 1 6 . 1 1 12 12 SER N N 12 116.470 116.470 115.541 0.929 25484 2406 1 6 . 1 1 12 12 SER HA H 12 4.317 4.317 4.236 0.081 25484 2407 1 6 . 1 1 12 12 SER C C 12 176.960 176.960 176.712 0.248 25484 2408 1 6 . 1 1 12 12 SER CA C 12 60.760 60.760 61.707 -0.947 25484 2409 1 6 . 1 1 12 12 SER CB C 12 63.350 63.350 63.105 0.244 25484 2410 1 6 . 1 1 12 12 SER H H 12 8.179 8.179 8.015 0.164 25484 2411 1 6 . 1 1 13 13 ILE N N 13 123.740 123.740 119.200 4.540 25484 2412 1 6 . 1 1 13 13 ILE HA H 13 3.690 3.690 3.773 -0.083 25484 2413 1 6 . 1 1 13 13 ILE C C 13 177.660 177.660 177.750 -0.090 25484 2414 1 6 . 1 1 13 13 ILE CA C 13 64.930 64.930 64.422 0.508 25484 2415 1 6 . 1 1 13 13 ILE CB C 13 37.650 37.650 37.315 0.335 25484 2416 1 6 . 1 1 13 13 ILE H H 13 8.130 8.130 8.459 -0.329 25484 2417 1 6 . 1 1 14 14 GLN N N 14 119.220 119.220 120.984 -1.764 25484 2418 1 6 . 1 1 14 14 GLN HA H 14 4.040 4.040 3.818 0.222 25484 2419 1 6 . 1 1 14 14 GLN C C 14 179.490 179.490 178.465 1.025 25484 2420 1 6 . 1 1 14 14 GLN CA C 14 59.750 59.750 60.038 -0.287 25484 2421 1 6 . 1 1 14 14 GLN CB C 14 27.730 27.730 28.593 -0.863 25484 2422 1 6 . 1 1 14 14 GLN H H 14 8.113 8.113 8.985 -0.872 25484 2423 1 6 . 1 1 15 15 ARG N N 15 119.160 119.160 118.623 0.537 25484 2424 1 6 . 1 1 15 15 ARG HA H 15 4.150 4.150 4.232 -0.082 25484 2425 1 6 . 1 1 15 15 ARG C C 15 179.460 179.460 178.472 0.988 25484 2426 1 6 . 1 1 15 15 ARG CA C 15 59.150 59.150 59.262 -0.112 25484 2427 1 6 . 1 1 15 15 ARG CB C 15 30.090 30.090 30.015 0.075 25484 2428 1 6 . 1 1 15 15 ARG H H 15 8.200 8.200 8.146 0.054 25484 2429 1 6 . 1 1 16 16 ALA N N 16 124.140 124.140 123.520 0.620 25484 2430 1 6 . 1 1 16 16 ALA HA H 16 3.990 3.990 4.130 -0.140 25484 2431 1 6 . 1 1 16 16 ALA C C 16 180.230 180.230 179.643 0.587 25484 2432 1 6 . 1 1 16 16 ALA CA C 16 55.550 55.550 55.044 0.506 25484 2433 1 6 . 1 1 16 16 ALA CB C 16 18.750 18.750 18.516 0.234 25484 2434 1 6 . 1 1 16 16 ALA H H 16 8.071 8.071 7.676 0.395 25484 2435 1 6 . 1 1 17 17 ILE N N 17 118.180 118.180 119.392 -1.212 25484 2436 1 6 . 1 1 17 17 ILE HA H 17 3.712 3.712 3.466 0.246 25484 2437 1 6 . 1 1 17 17 ILE C C 17 178.210 178.210 178.007 0.203 25484 2438 1 6 . 1 1 17 17 ILE CA C 17 64.870 64.870 65.566 -0.696 25484 2439 1 6 . 1 1 17 17 ILE CB C 17 37.640 37.640 37.912 -0.272 25484 2440 1 6 . 1 1 17 17 ILE H H 17 8.534 8.534 8.369 0.165 25484 2441 1 6 . 1 1 18 18 GLN N N 18 118.960 118.960 119.432 -0.472 25484 2442 1 6 . 1 1 18 18 GLN HA H 18 4.134 4.134 3.916 0.218 25484 2443 1 6 . 1 1 18 18 GLN C C 18 180.050 180.050 178.971 1.079 25484 2444 1 6 . 1 1 18 18 GLN CA C 18 59.340 59.340 59.543 -0.203 25484 2445 1 6 . 1 1 18 18 GLN CB C 18 28.030 28.030 28.439 -0.409 25484 2446 1 6 . 1 1 18 18 GLN H H 18 8.200 8.200 8.963 -0.763 25484 2447 1 6 . 1 1 19 19 SER N N 19 116.320 116.320 116.290 0.030 25484 2448 1 6 . 1 1 19 19 SER HA H 19 4.388 4.388 4.191 0.197 25484 2449 1 6 . 1 1 19 19 SER C C 19 176.460 176.460 176.158 0.302 25484 2450 1 6 . 1 1 19 19 SER CA C 19 62.250 62.250 62.297 -0.047 25484 2451 1 6 . 1 1 19 19 SER CB C 19 63.270 63.270 63.127 0.143 25484 2452 1 6 . 1 1 19 19 SER H H 19 8.190 8.190 7.975 0.215 25484 2453 1 6 . 1 1 20 20 LEU N N 20 125.540 125.540 124.286 1.254 25484 2454 1 6 . 1 1 20 20 LEU HA H 20 4.075 4.075 3.973 0.102 25484 2455 1 6 . 1 1 20 20 LEU C C 20 177.640 177.640 178.382 -0.742 25484 2456 1 6 . 1 1 20 20 LEU CA C 20 58.750 58.750 58.451 0.299 25484 2457 1 6 . 1 1 20 20 LEU CB C 20 42.390 42.390 41.870 0.520 25484 2458 1 6 . 1 1 20 20 LEU H H 20 8.290 8.290 7.862 0.428 25484 2459 1 6 . 1 1 21 21 VAL N N 21 118.690 118.690 117.938 0.752 25484 2460 1 6 . 1 1 21 21 VAL HA H 21 3.356 3.356 3.483 -0.127 25484 2461 1 6 . 1 1 21 21 VAL C C 21 178.770 178.770 177.946 0.824 25484 2462 1 6 . 1 1 21 21 VAL CA C 21 66.850 66.850 66.993 -0.143 25484 2463 1 6 . 1 1 21 21 VAL CB C 21 31.450 31.450 31.159 0.291 25484 2464 1 6 . 1 1 21 21 VAL H H 21 8.532 8.532 8.860 -0.328 25484 2465 1 6 . 1 1 22 22 HIS N N 22 116.230 116.230 119.625 -3.395 25484 2466 1 6 . 1 1 22 22 HIS HA H 22 4.230 4.230 4.210 0.020 25484 2467 1 6 . 1 1 22 22 HIS C C 22 178.420 178.420 176.915 1.505 25484 2468 1 6 . 1 1 22 22 HIS CA C 22 59.980 59.980 60.072 -0.092 25484 2469 1 6 . 1 1 22 22 HIS CB C 22 27.830 27.830 29.808 -1.978 25484 2470 1 6 . 1 1 22 22 HIS H H 22 7.980 7.980 7.774 0.206 25484 2471 1 6 . 1 1 23 23 ALA N N 23 121.520 121.520 121.026 0.494 25484 2472 1 6 . 1 1 23 23 ALA HA H 23 4.225 4.225 4.098 0.127 25484 2473 1 6 . 1 1 23 23 ALA C C 23 179.540 179.540 178.439 1.101 25484 2474 1 6 . 1 1 23 23 ALA CA C 23 55.250 55.250 54.796 0.454 25484 2475 1 6 . 1 1 23 23 ALA CB C 23 19.550 19.550 18.577 0.973 25484 2476 1 6 . 1 1 23 23 ALA H H 23 8.640 8.640 8.488 0.152 25484 2477 1 6 . 1 1 24 24 ALA N N 24 116.860 116.860 119.169 -2.309 25484 2478 1 6 . 1 1 24 24 ALA HA H 24 4.100 4.100 4.022 0.078 25484 2479 1 6 . 1 1 24 24 ALA C C 24 178.130 178.130 179.443 -1.313 25484 2480 1 6 . 1 1 24 24 ALA CA C 24 54.090 54.090 54.434 -0.344 25484 2481 1 6 . 1 1 24 24 ALA CB C 24 18.750 18.750 18.724 0.026 25484 2482 1 6 . 1 1 24 24 ALA H H 24 8.260 8.260 7.722 0.538 25484 2483 1 6 . 1 1 25 25 GLN N N 25 112.450 112.450 117.187 -4.737 25484 2484 1 6 . 1 1 25 25 GLN HA H 25 4.495 4.495 4.193 0.302 25484 2485 1 6 . 1 1 25 25 GLN C C 25 174.940 174.940 175.763 -0.823 25484 2486 1 6 . 1 1 25 25 GLN CA C 25 54.650 54.650 56.845 -2.195 25484 2487 1 6 . 1 1 25 25 GLN CB C 25 30.650 30.650 30.206 0.444 25484 2488 1 6 . 1 1 25 25 GLN H H 25 7.260 7.260 8.037 -0.777 25484 2489 1 6 . 1 1 26 26 CYS N N 26 124.510 124.510 119.992 4.518 25484 2490 1 6 . 1 1 26 26 CYS HA H 26 3.915 3.915 4.222 -0.307 25484 2491 1 6 . 1 1 26 26 CYS C C 26 176.690 176.690 173.098 3.592 25484 2492 1 6 . 1 1 26 26 CYS CA C 26 60.980 60.980 58.703 2.277 25484 2493 1 6 . 1 1 26 26 CYS CB C 26 29.350 29.350 28.467 0.883 25484 2494 1 6 . 1 1 26 26 CYS H H 26 7.365 7.365 8.485 -1.120 25484 2495 1 6 . 1 1 27 27 ARG N N 27 129.870 129.870 127.586 2.284 25484 2496 1 6 . 1 1 27 27 ARG HA H 27 4.635 4.635 4.483 0.152 25484 2497 1 6 . 1 1 27 27 ARG C C 27 175.660 175.660 173.967 1.693 25484 2498 1 6 . 1 1 27 27 ARG CA C 27 54.550 54.550 54.867 -0.318 25484 2499 1 6 . 1 1 27 27 ARG CB C 27 30.350 30.350 28.976 1.374 25484 2500 1 6 . 1 1 27 27 ARG H H 27 8.880 8.880 8.393 0.487 25484 2501 1 6 . 1 1 28 28 ASN N N 28 120.810 120.810 121.958 -1.148 25484 2502 1 6 . 1 1 28 28 ASN HA H 28 4.870 4.870 4.778 0.092 25484 2503 1 6 . 1 1 28 28 ASN C C 28 176.120 176.120 175.230 0.890 25484 2504 1 6 . 1 1 28 28 ASN CA C 28 51.930 51.930 53.326 -1.396 25484 2505 1 6 . 1 1 28 28 ASN CB C 28 39.060 39.060 40.086 -1.026 25484 2506 1 6 . 1 1 28 28 ASN H H 28 7.980 7.980 8.130 -0.150 25484 2507 1 6 . 1 1 29 29 ALA N N 29 130.470 130.470 126.757 3.713 25484 2508 1 6 . 1 1 29 29 ALA HA H 29 4.133 4.133 4.194 -0.061 25484 2509 1 6 . 1 1 29 29 ALA C C 29 178.380 178.380 176.951 1.429 25484 2510 1 6 . 1 1 29 29 ALA CA C 29 54.290 54.290 53.809 0.481 25484 2511 1 6 . 1 1 29 29 ALA CB C 29 18.370 18.370 19.203 -0.833 25484 2512 1 6 . 1 1 29 29 ALA H H 29 9.134 9.134 8.531 0.603 25484 2513 1 6 . 1 1 30 30 ASN N N 30 114.590 114.590 112.751 1.839 25484 2514 1 6 . 1 1 30 30 ASN HA H 30 4.875 4.875 4.806 0.069 25484 2515 1 6 . 1 1 30 30 ASN C C 30 174.530 174.530 174.557 -0.027 25484 2516 1 6 . 1 1 30 30 ASN CA C 30 51.930 51.930 51.555 0.375 25484 2517 1 6 . 1 1 30 30 ASN CB C 30 38.910 38.910 38.449 0.461 25484 2518 1 6 . 1 1 30 30 ASN H H 30 8.114 8.114 7.933 0.181 25484 2519 1 6 . 1 1 31 31 CYS N N 31 123.270 123.270 121.785 1.485 25484 2520 1 6 . 1 1 31 31 CYS HA H 31 4.050 4.050 4.247 -0.197 25484 2521 1 6 . 1 1 31 31 CYS C C 31 177.170 177.170 173.961 3.209 25484 2522 1 6 . 1 1 31 31 CYS CA C 31 61.880 61.880 60.303 1.577 25484 2523 1 6 . 1 1 31 31 CYS CB C 31 30.010 30.010 29.029 0.981 25484 2524 1 6 . 1 1 31 31 CYS H H 31 7.210 7.210 7.477 -0.267 25484 2525 1 6 . 1 1 32 32 SER N N 32 124.300 124.300 122.001 2.299 25484 2526 1 6 . 1 1 32 32 SER HA H 32 4.609 4.609 4.555 0.054 25484 2527 1 6 . 1 1 32 32 SER C C 32 175.020 175.020 173.241 1.779 25484 2528 1 6 . 1 1 32 32 SER CA C 32 58.010 58.010 57.359 0.651 25484 2529 1 6 . 1 1 32 32 SER CB C 32 64.120 64.120 62.857 1.263 25484 2530 1 6 . 1 1 32 32 SER H H 32 8.767 8.767 8.270 0.497 25484 2531 1 6 . 1 1 33 33 LEU N N 33 128.860 128.860 126.938 1.922 25484 2532 1 6 . 1 1 33 33 LEU HA H 33 4.538 4.538 4.948 -0.410 25484 2533 1 6 . 1 1 33 33 LEU C C 33 177.230 177.230 174.643 2.587 25484 2534 1 6 . 1 1 33 33 LEU CA C 33 54.450 54.450 51.837 2.613 25484 2535 1 6 . 1 1 33 33 LEU CB C 33 40.970 40.970 43.565 -2.595 25484 2536 1 6 . 1 1 33 33 LEU H H 33 8.546 8.546 7.446 1.100 25484 2537 1 6 . 1 1 34 34 PRO HA H 34 4.370 4.370 4.510 -0.140 25484 2538 1 6 . 1 1 34 34 PRO C C 34 178.640 178.640 178.421 0.219 25484 2539 1 6 . 1 1 34 34 PRO CA C 34 65.530 65.530 65.430 0.100 25484 2540 1 6 . 1 1 34 34 PRO CB C 34 31.970 31.970 31.862 0.108 25484 2541 1 6 . 1 1 35 35 SER N N 35 111.940 111.940 113.631 -1.691 25484 2542 1 6 . 1 1 35 35 SER HA H 35 4.127 4.127 4.346 -0.219 25484 2543 1 6 . 1 1 35 35 SER C C 35 174.750 174.750 176.441 -1.691 25484 2544 1 6 . 1 1 35 35 SER CA C 35 60.100 60.100 60.993 -0.893 25484 2545 1 6 . 1 1 35 35 SER CB C 35 62.910 62.910 62.771 0.139 25484 2546 1 6 . 1 1 35 35 SER H H 35 8.350 8.350 8.729 -0.379 25484 2547 1 6 . 1 1 36 36 CYS N N 36 125.790 125.790 123.313 2.477 25484 2548 1 6 . 1 1 36 36 CYS HA H 36 4.215 4.215 4.063 0.152 25484 2549 1 6 . 1 1 36 36 CYS C C 36 177.070 177.070 176.261 0.809 25484 2550 1 6 . 1 1 36 36 CYS CA C 36 63.900 63.900 62.759 1.141 25484 2551 1 6 . 1 1 36 36 CYS CB C 36 29.650 29.650 27.614 2.036 25484 2552 1 6 . 1 1 36 36 CYS H H 36 7.490 7.490 8.213 -0.723 25484 2553 1 6 . 1 1 37 37 GLN N N 37 115.860 115.860 118.818 -2.958 25484 2554 1 6 . 1 1 37 37 GLN HA H 37 4.010 4.010 3.809 0.201 25484 2555 1 6 . 1 1 37 37 GLN C C 37 179.690 179.690 178.185 1.505 25484 2556 1 6 . 1 1 37 37 GLN CA C 37 59.980 59.980 59.128 0.852 25484 2557 1 6 . 1 1 37 37 GLN CB C 37 27.820 27.820 28.320 -0.500 25484 2558 1 6 . 1 1 37 37 GLN H H 37 8.170 8.170 8.602 -0.432 25484 2559 1 6 . 1 1 38 38 LYS N N 38 117.470 117.470 119.511 -2.041 25484 2560 1 6 . 1 1 38 38 LYS HA H 38 4.060 4.060 3.996 0.064 25484 2561 1 6 . 1 1 38 38 LYS C C 38 179.230 179.230 179.231 -0.001 25484 2562 1 6 . 1 1 38 38 LYS CA C 38 59.450 59.450 59.272 0.178 25484 2563 1 6 . 1 1 38 38 LYS CB C 38 32.650 32.650 32.210 0.440 25484 2564 1 6 . 1 1 38 38 LYS H H 38 7.920 7.920 8.059 -0.139 25484 2565 1 6 . 1 1 39 39 MET N N 39 118.050 118.050 118.430 -0.380 25484 2566 1 6 . 1 1 39 39 MET HA H 39 4.559 4.559 4.120 0.439 25484 2567 1 6 . 1 1 39 39 MET C C 39 179.720 179.720 178.398 1.322 25484 2568 1 6 . 1 1 39 39 MET CA C 39 57.250 57.250 58.240 -0.990 25484 2569 1 6 . 1 1 39 39 MET CB C 39 32.550 32.550 31.961 0.589 25484 2570 1 6 . 1 1 39 39 MET H H 39 8.370 8.370 7.621 0.749 25484 2571 1 6 . 1 1 40 40 LYS N N 40 121.630 121.630 120.390 1.240 25484 2572 1 6 . 1 1 40 40 LYS HA H 40 3.840 3.840 3.895 -0.055 25484 2573 1 6 . 1 1 40 40 LYS C C 40 180.150 180.150 179.189 0.961 25484 2574 1 6 . 1 1 40 40 LYS CA C 40 61.520 61.520 60.253 1.267 25484 2575 1 6 . 1 1 40 40 LYS CB C 40 32.620 32.620 32.260 0.360 25484 2576 1 6 . 1 1 40 40 LYS H H 40 9.490 9.490 8.413 1.077 25484 2577 1 6 . 1 1 41 41 ARG N N 41 118.300 118.300 117.878 0.422 25484 2578 1 6 . 1 1 41 41 ARG HA H 41 4.180 4.180 4.130 0.050 25484 2579 1 6 . 1 1 41 41 ARG C C 41 180.080 180.080 178.403 1.677 25484 2580 1 6 . 1 1 41 41 ARG CA C 41 59.750 59.750 58.763 0.987 25484 2581 1 6 . 1 1 41 41 ARG CB C 41 30.010 30.010 30.069 -0.059 25484 2582 1 6 . 1 1 41 41 ARG H H 41 7.610 7.610 8.092 -0.482 25484 2583 1 6 . 1 1 42 42 VAL N N 42 121.750 121.750 119.909 1.841 25484 2584 1 6 . 1 1 42 42 VAL HA H 42 3.745 3.745 3.957 -0.212 25484 2585 1 6 . 1 1 42 42 VAL C C 42 178.130 178.130 177.523 0.607 25484 2586 1 6 . 1 1 42 42 VAL CA C 42 66.760 66.760 65.302 1.458 25484 2587 1 6 . 1 1 42 42 VAL CB C 42 31.520 31.520 32.478 -0.958 25484 2588 1 6 . 1 1 42 42 VAL H H 42 7.760 7.760 7.840 -0.080 25484 2589 1 6 . 1 1 43 43 VAL N N 43 120.580 120.580 121.851 -1.271 25484 2590 1 6 . 1 1 43 43 VAL HA H 43 3.531 3.531 3.488 0.043 25484 2591 1 6 . 1 1 43 43 VAL C C 43 179.310 179.310 178.311 0.999 25484 2592 1 6 . 1 1 43 43 VAL CA C 43 67.120 67.120 67.406 -0.286 25484 2593 1 6 . 1 1 43 43 VAL CB C 43 31.510 31.510 31.563 -0.053 25484 2594 1 6 . 1 1 43 43 VAL H H 43 8.500 8.500 8.626 -0.126 25484 2595 1 6 . 1 1 44 44 GLN N N 44 119.280 119.280 116.078 3.202 25484 2596 1 6 . 1 1 44 44 GLN HA H 44 4.010 4.010 4.087 -0.077 25484 2597 1 6 . 1 1 44 44 GLN C C 44 179.330 179.330 178.411 0.919 25484 2598 1 6 . 1 1 44 44 GLN CA C 44 59.060 59.060 58.538 0.522 25484 2599 1 6 . 1 1 44 44 GLN CB C 44 28.030 28.030 28.194 -0.164 25484 2600 1 6 . 1 1 44 44 GLN H H 44 8.400 8.400 8.626 -0.226 25484 2601 1 6 . 1 1 45 45 HIS N N 45 119.160 119.160 120.082 -0.922 25484 2602 1 6 . 1 1 45 45 HIS HA H 45 4.283 4.283 4.283 0.000 25484 2603 1 6 . 1 1 45 45 HIS C C 45 178.250 178.250 177.440 0.810 25484 2604 1 6 . 1 1 45 45 HIS CA C 45 59.950 59.950 60.187 -0.237 25484 2605 1 6 . 1 1 45 45 HIS CB C 45 27.150 27.150 30.128 -2.978 25484 2606 1 6 . 1 1 45 45 HIS H H 45 8.190 8.190 7.391 0.799 25484 2607 1 6 . 1 1 46 46 THR N N 46 111.110 111.110 115.180 -4.070 25484 2608 1 6 . 1 1 46 46 THR HA H 46 3.859 3.859 3.968 -0.109 25484 2609 1 6 . 1 1 46 46 THR C C 46 176.350 176.350 176.502 -0.152 25484 2610 1 6 . 1 1 46 46 THR CA C 46 65.670 65.670 67.376 -1.706 25484 2611 1 6 . 1 1 46 46 THR CB C 46 69.190 69.190 68.674 0.516 25484 2612 1 6 . 1 1 46 46 THR H H 46 7.980 7.980 8.202 -0.222 25484 2613 1 6 . 1 1 47 47 LYS N N 47 120.510 120.510 118.751 1.759 25484 2614 1 6 . 1 1 47 47 LYS HA H 47 4.090 4.090 4.206 -0.116 25484 2615 1 6 . 1 1 47 47 LYS C C 47 178.150 178.150 179.515 -1.365 25484 2616 1 6 . 1 1 47 47 LYS CA C 47 58.750 58.750 58.581 0.169 25484 2617 1 6 . 1 1 47 47 LYS CB C 47 32.360 32.360 32.354 0.006 25484 2618 1 6 . 1 1 47 47 LYS H H 47 7.410 7.410 7.583 -0.173 25484 2619 1 6 . 1 1 48 48 GLY N N 48 104.210 104.210 106.172 -1.962 25484 2620 1 6 . 1 1 48 48 GLY C C 48 174.220 174.220 174.500 -0.280 25484 2621 1 6 . 1 1 48 48 GLY CA C 48 44.753 44.753 45.353 -0.600 25484 2622 1 6 . 1 1 48 48 GLY H H 48 7.180 7.180 7.914 -0.734 25484 2623 1 6 . 1 1 49 49 CYS N N 49 123.560 123.560 121.310 2.250 25484 2624 1 6 . 1 1 49 49 CYS HA H 49 4.010 4.010 4.495 -0.485 25484 2625 1 6 . 1 1 49 49 CYS C C 49 177.230 177.230 174.404 2.826 25484 2626 1 6 . 1 1 49 49 CYS CA C 49 61.230 61.230 57.143 4.087 25484 2627 1 6 . 1 1 49 49 CYS CB C 49 29.850 29.850 26.292 3.558 25484 2628 1 6 . 1 1 49 49 CYS H H 49 6.981 6.981 7.495 -0.514 25484 2629 1 6 . 1 1 50 50 LYS N N 50 128.350 128.350 122.972 5.378 25484 2630 1 6 . 1 1 50 50 LYS HA H 50 4.524 4.524 4.145 0.379 25484 2631 1 6 . 1 1 50 50 LYS C C 50 178.040 178.040 177.033 1.007 25484 2632 1 6 . 1 1 50 50 LYS CA C 50 56.750 56.750 57.495 -0.745 25484 2633 1 6 . 1 1 50 50 LYS CB C 50 32.950 32.950 32.192 0.758 25484 2634 1 6 . 1 1 50 50 LYS H H 50 8.999 8.999 8.038 0.961 25484 2635 1 6 . 1 1 51 51 ARG N N 51 122.550 122.550 118.115 4.435 25484 2636 1 6 . 1 1 51 51 ARG HA H 51 4.428 4.428 4.111 0.317 25484 2637 1 6 . 1 1 51 51 ARG C C 51 177.410 177.410 178.280 -0.870 25484 2638 1 6 . 1 1 51 51 ARG CA C 51 57.750 57.750 57.753 -0.003 25484 2639 1 6 . 1 1 51 51 ARG CB C 51 31.860 31.860 29.166 2.694 25484 2640 1 6 . 1 1 51 51 ARG H H 51 8.558 8.558 8.388 0.170 25484 2641 1 6 . 1 1 52 52 LYS N N 52 119.040 119.040 119.099 -0.059 25484 2642 1 6 . 1 1 52 52 LYS HA H 52 4.534 4.534 4.247 0.287 25484 2643 1 6 . 1 1 52 52 LYS C C 52 177.610 177.610 178.629 -1.019 25484 2644 1 6 . 1 1 52 52 LYS CA C 52 57.970 57.970 59.655 -1.685 25484 2645 1 6 . 1 1 52 52 LYS CB C 52 32.350 32.350 31.430 0.920 25484 2646 1 6 . 1 1 52 52 LYS H H 52 8.490 8.490 8.331 0.159 25484 2647 1 6 . 1 1 53 53 THR N N 53 113.034 113.034 109.049 3.985 25484 2648 1 6 . 1 1 53 53 THR HA H 53 4.160 4.160 4.142 0.018 25484 2649 1 6 . 1 1 53 53 THR C C 53 175.610 175.610 175.169 0.441 25484 2650 1 6 . 1 1 53 53 THR CA C 53 64.050 64.050 63.016 1.034 25484 2651 1 6 . 1 1 53 53 THR CB C 53 69.120 69.120 68.910 0.210 25484 2652 1 6 . 1 1 53 53 THR H H 53 7.760 7.760 8.041 -0.281 25484 2653 1 6 . 1 1 54 54 ASN N N 54 119.860 119.860 119.850 0.010 25484 2654 1 6 . 1 1 54 54 ASN HA H 54 4.920 4.920 4.553 0.367 25484 2655 1 6 . 1 1 54 54 ASN C C 54 176.330 176.330 176.339 -0.009 25484 2656 1 6 . 1 1 54 54 ASN CA C 54 53.720 53.720 54.957 -1.237 25484 2657 1 6 . 1 1 54 54 ASN CB C 54 38.350 38.350 39.349 -0.999 25484 2658 1 6 . 1 1 54 54 ASN H H 54 8.290 8.290 7.847 0.443 25484 2659 1 6 . 1 1 55 55 GLY N N 55 107.570 107.570 105.310 2.260 25484 2660 1 6 . 1 1 55 55 GLY C C 55 175.660 175.660 174.364 1.296 25484 2661 1 6 . 1 1 55 55 GLY CA C 55 45.938 45.938 44.600 1.338 25484 2662 1 6 . 1 1 55 55 GLY H H 55 8.006 8.006 7.803 0.203 25484 2663 1 6 . 1 1 56 56 GLY N N 56 107.290 107.290 108.472 -1.182 25484 2664 1 6 . 1 1 56 56 GLY C C 56 173.710 173.710 174.663 -0.953 25484 2665 1 6 . 1 1 56 56 GLY CA C 56 45.570 45.570 45.091 0.479 25484 2666 1 6 . 1 1 56 56 GLY H H 56 7.840 7.840 7.607 0.233 25484 2667 1 6 . 1 1 57 57 CYS N N 57 122.730 122.730 121.010 1.720 25484 2668 1 6 . 1 1 57 57 CYS HA H 57 4.505 4.505 4.855 -0.350 25484 2669 1 6 . 1 1 57 57 CYS C C 57 175.090 175.090 173.346 1.744 25484 2670 1 6 . 1 1 57 57 CYS CA C 57 55.950 55.950 55.400 0.550 25484 2671 1 6 . 1 1 57 57 CYS CB C 57 30.760 30.760 28.505 2.255 25484 2672 1 6 . 1 1 57 57 CYS H H 57 8.048 8.048 7.946 0.102 25484 2673 1 6 . 1 1 58 58 PRO HA H 58 4.338 4.338 4.681 -0.343 25484 2674 1 6 . 1 1 58 58 PRO CA C 58 65.050 65.050 62.934 2.116 25484 2675 1 6 . 1 1 58 58 PRO CB C 58 32.620 32.620 30.395 2.225 25484 2676 1 6 . 1 1 59 59 ILE N N 59 121.256 121.256 123.710 -2.454 25484 2677 1 6 . 1 1 59 59 ILE HA H 59 3.818 3.818 4.204 -0.386 25484 2678 1 6 . 1 1 59 59 ILE C C 59 178.820 178.820 176.827 1.993 25484 2679 1 6 . 1 1 59 59 ILE CA C 59 64.590 64.590 63.287 1.303 25484 2680 1 6 . 1 1 59 59 ILE CB C 59 38.890 38.890 39.825 -0.935 25484 2681 1 6 . 1 1 59 59 ILE H H 59 7.900 7.900 8.931 -1.031 25484 2682 1 6 . 1 1 60 60 CYS N N 60 123.970 123.970 119.883 4.087 25484 2683 1 6 . 1 1 60 60 CYS HA H 60 4.117 4.117 4.056 0.061 25484 2684 1 6 . 1 1 60 60 CYS C C 60 178.110 178.110 176.689 1.421 25484 2685 1 6 . 1 1 60 60 CYS CA C 60 66.090 66.090 63.225 2.865 25484 2686 1 6 . 1 1 60 60 CYS CB C 60 29.150 29.150 26.192 2.958 25484 2687 1 6 . 1 1 60 60 CYS H H 60 8.914 8.914 8.358 0.556 25484 2688 1 6 . 1 1 61 61 LYS N N 61 117.210 117.210 119.321 -2.111 25484 2689 1 6 . 1 1 61 61 LYS HA H 61 3.910 3.910 4.065 -0.155 25484 2690 1 6 . 1 1 61 61 LYS C C 61 179.460 179.460 178.328 1.132 25484 2691 1 6 . 1 1 61 61 LYS CA C 61 59.970 59.970 59.575 0.395 25484 2692 1 6 . 1 1 61 61 LYS CB C 61 32.650 32.650 32.484 0.166 25484 2693 1 6 . 1 1 61 61 LYS H H 61 8.090 8.090 8.129 -0.039 25484 2694 1 6 . 1 1 62 62 GLN N N 62 117.780 117.780 118.966 -1.186 25484 2695 1 6 . 1 1 62 62 GLN HA H 62 4.203 4.203 4.118 0.085 25484 2696 1 6 . 1 1 62 62 GLN C C 62 178.564 178.564 178.679 -0.115 25484 2697 1 6 . 1 1 62 62 GLN CA C 62 58.450 58.450 58.056 0.394 25484 2698 1 6 . 1 1 62 62 GLN CB C 62 29.140 29.140 28.867 0.273 25484 2699 1 6 . 1 1 62 62 GLN H H 62 7.360 7.360 7.560 -0.200 25484 2700 1 6 . 1 1 63 63 LEU N N 63 119.930 119.930 123.759 -3.829 25484 2701 1 6 . 1 1 63 63 LEU HA H 63 4.218 4.218 4.065 0.153 25484 2702 1 6 . 1 1 63 63 LEU C C 63 179.440 179.440 177.705 1.735 25484 2703 1 6 . 1 1 63 63 LEU CA C 63 58.550 58.550 57.706 0.844 25484 2704 1 6 . 1 1 63 63 LEU CB C 63 41.910 41.910 41.744 0.166 25484 2705 1 6 . 1 1 63 63 LEU H H 63 8.075 8.075 8.695 -0.620 25484 2706 1 6 . 1 1 64 64 ILE N N 64 120.280 120.280 119.878 0.402 25484 2707 1 6 . 1 1 64 64 ILE HA H 64 3.600 3.600 3.672 -0.072 25484 2708 1 6 . 1 1 64 64 ILE C C 64 177.950 177.950 177.975 -0.025 25484 2709 1 6 . 1 1 64 64 ILE CA C 64 65.250 65.250 65.561 -0.311 25484 2710 1 6 . 1 1 64 64 ILE CB C 64 37.320 37.320 37.396 -0.076 25484 2711 1 6 . 1 1 64 64 ILE H H 64 8.466 8.466 8.771 -0.305 25484 2712 1 6 . 1 1 65 65 ALA N N 65 122.590 122.590 122.075 0.515 25484 2713 1 6 . 1 1 65 65 ALA HA H 65 4.185 4.185 2.982 1.203 25484 2714 1 6 . 1 1 65 65 ALA C C 65 181.010 181.010 178.539 2.471 25484 2715 1 6 . 1 1 65 65 ALA CA C 65 55.220 55.220 54.816 0.404 25484 2716 1 6 . 1 1 65 65 ALA CB C 65 18.450 18.450 17.755 0.696 25484 2717 1 6 . 1 1 65 65 ALA H H 65 7.496 7.496 8.106 -0.610 25484 2718 1 6 . 1 1 66 66 LEU N N 66 115.599 115.599 120.489 -4.890 25484 2719 1 6 . 1 1 66 66 LEU HA H 66 4.100 4.100 3.879 0.221 25484 2720 1 6 . 1 1 66 66 LEU C C 66 179.380 179.380 178.944 0.436 25484 2721 1 6 . 1 1 66 66 LEU CA C 66 57.930 57.930 57.733 0.196 25484 2722 1 6 . 1 1 66 66 LEU CB C 66 41.410 41.410 41.474 -0.064 25484 2723 1 6 . 1 1 66 66 LEU H H 66 8.139 8.139 7.772 0.367 25484 2724 1 6 . 1 1 67 67 ALA N N 67 122.670 122.670 120.398 2.272 25484 2725 1 6 . 1 1 67 67 ALA HA H 67 3.958 3.958 4.000 -0.042 25484 2726 1 6 . 1 1 67 67 ALA C C 67 180.060 180.060 179.623 0.437 25484 2727 1 6 . 1 1 67 67 ALA CA C 67 55.750 55.750 54.973 0.777 25484 2728 1 6 . 1 1 67 67 ALA CB C 67 19.220 19.220 18.386 0.834 25484 2729 1 6 . 1 1 67 67 ALA H H 67 8.770 8.770 8.816 -0.046 25484 2730 1 6 . 1 1 68 68 ALA N N 68 120.580 120.580 121.780 -1.200 25484 2731 1 6 . 1 1 68 68 ALA HA H 68 4.142 4.142 4.043 0.099 25484 2732 1 6 . 1 1 68 68 ALA C C 68 179.540 179.540 179.418 0.122 25484 2733 1 6 . 1 1 68 68 ALA CA C 68 55.450 55.450 54.909 0.541 25484 2734 1 6 . 1 1 68 68 ALA CB C 68 18.220 18.220 18.872 -0.652 25484 2735 1 6 . 1 1 68 68 ALA H H 68 8.604 8.604 8.527 0.077 25484 2736 1 6 . 1 1 69 69 TYR HA H 69 4.345 4.345 4.277 0.068 25484 2737 1 6 . 1 1 69 69 TYR CA C 69 57.750 57.750 58.553 -0.803 25484 2738 1 6 . 1 1 69 69 TYR CB C 69 38.580 38.580 37.030 1.550 25484 2739 1 6 . 1 1 71 71 ALA HA H 71 4.000 4.000 3.854 0.146 25484 2740 1 6 . 1 1 71 71 ALA C C 71 179.540 179.540 180.278 -0.738 25484 2741 1 6 . 1 1 71 71 ALA CA C 71 54.850 54.850 54.970 -0.120 25484 2742 1 6 . 1 1 71 71 ALA CB C 71 19.650 19.650 18.411 1.239 25484 2743 1 6 . 1 1 72 72 LYS N N 72 114.680 114.680 117.371 -2.691 25484 2744 1 6 . 1 1 72 72 LYS HA H 72 3.904 3.904 3.990 -0.086 25484 2745 1 6 . 1 1 72 72 LYS C C 72 177.120 177.120 177.852 -0.732 25484 2746 1 6 . 1 1 72 72 LYS CA C 72 58.230 58.230 59.339 -1.109 25484 2747 1 6 . 1 1 72 72 LYS CB C 72 32.340 32.340 32.706 -0.366 25484 2748 1 6 . 1 1 72 72 LYS H H 72 7.080 7.080 8.457 -1.377 25484 2749 1 6 . 1 1 73 73 HIS N N 73 113.498 113.498 112.572 0.926 25484 2750 1 6 . 1 1 73 73 HIS HA H 73 4.826 4.826 4.736 0.090 25484 2751 1 6 . 1 1 73 73 HIS C C 73 173.660 173.660 174.842 -1.182 25484 2752 1 6 . 1 1 73 73 HIS CA C 73 54.380 54.380 53.060 1.320 25484 2753 1 6 . 1 1 73 73 HIS CB C 73 30.350 30.350 28.492 1.858 25484 2754 1 6 . 1 1 73 73 HIS H H 73 7.250 7.250 7.553 -0.303 25484 2755 1 6 . 1 1 74 74 CYS N N 74 123.830 123.830 120.346 3.484 25484 2756 1 6 . 1 1 74 74 CYS HA H 74 4.150 4.150 4.596 -0.446 25484 2757 1 6 . 1 1 74 74 CYS C C 74 176.480 176.480 173.706 2.774 25484 2758 1 6 . 1 1 74 74 CYS CA C 74 60.250 60.250 58.619 1.631 25484 2759 1 6 . 1 1 74 74 CYS CB C 74 29.930 29.930 29.634 0.296 25484 2760 1 6 . 1 1 74 74 CYS H H 74 7.140 7.140 7.776 -0.636 25484 2761 1 6 . 1 1 75 75 GLN N N 75 128.740 128.740 126.206 2.534 25484 2762 1 6 . 1 1 75 75 GLN HA H 75 4.685 4.685 4.511 0.174 25484 2763 1 6 . 1 1 75 75 GLN C C 75 176.090 176.090 174.231 1.859 25484 2764 1 6 . 1 1 75 75 GLN CA C 75 54.900 54.900 54.840 0.060 25484 2765 1 6 . 1 1 75 75 GLN CB C 75 29.840 29.840 28.094 1.746 25484 2766 1 6 . 1 1 75 75 GLN H H 75 9.088 9.088 8.669 0.419 25484 2767 1 6 . 1 1 76 76 GLU N N 76 123.190 123.190 122.150 1.040 25484 2768 1 6 . 1 1 76 76 GLU HA H 76 4.480 4.480 4.465 0.015 25484 2769 1 6 . 1 1 76 76 GLU C C 76 177.030 177.030 174.626 2.404 25484 2770 1 6 . 1 1 76 76 GLU CA C 76 56.210 56.210 56.340 -0.130 25484 2771 1 6 . 1 1 76 76 GLU CB C 76 30.660 30.660 31.651 -0.992 25484 2772 1 6 . 1 1 76 76 GLU H H 76 8.390 8.390 8.154 0.236 25484 2773 1 6 . 1 1 77 77 ASN N N 77 124.760 124.760 122.421 2.339 25484 2774 1 6 . 1 1 77 77 ASN HA H 77 4.549 4.549 4.797 -0.248 25484 2775 1 6 . 1 1 77 77 ASN C C 77 176.070 176.070 174.673 1.397 25484 2776 1 6 . 1 1 77 77 ASN CA C 77 55.100 55.100 53.138 1.962 25484 2777 1 6 . 1 1 77 77 ASN CB C 77 38.650 38.650 39.300 -0.650 25484 2778 1 6 . 1 1 77 77 ASN H H 77 8.848 8.848 8.593 0.255 25484 2779 1 6 . 1 1 78 78 LYS N N 78 120.810 120.810 121.466 -0.656 25484 2780 1 6 . 1 1 78 78 LYS HA H 78 4.460 4.460 4.289 0.171 25484 2781 1 6 . 1 1 78 78 LYS C C 78 175.230 175.230 175.446 -0.216 25484 2782 1 6 . 1 1 78 78 LYS CA C 78 54.920 54.920 57.096 -2.176 25484 2783 1 6 . 1 1 78 78 LYS CB C 78 31.020 31.020 33.003 -1.983 25484 2784 1 6 . 1 1 78 78 LYS H H 78 8.636 8.636 7.849 0.787 25484 2785 1 6 . 1 1 80 80 PRO HA H 80 4.710 4.710 4.526 0.184 25484 2786 1 6 . 1 1 80 80 PRO CA C 80 62.850 62.850 63.068 -0.218 25484 2787 1 6 . 1 1 80 80 PRO CB C 80 32.150 32.150 32.963 -0.813 25484 2788 1 6 . 1 1 81 81 VAL HA H 81 3.578 3.578 4.312 -0.735 25484 2789 1 6 . 1 1 81 81 VAL CA C 81 62.350 62.350 58.827 3.523 25484 2790 1 6 . 1 1 81 81 VAL CB C 81 31.616 31.616 32.292 -0.676 25484 2791 1 6 . 1 1 82 82 PRO HA H 82 4.850 4.850 3.847 1.003 25484 2792 1 6 . 1 1 82 82 PRO CA C 82 63.350 63.350 62.522 0.828 25484 2793 1 6 . 1 1 82 82 PRO CB C 82 32.050 32.050 32.096 -0.046 25484 2794 1 6 . 1 1 83 83 PHE HA H 83 4.160 4.160 4.418 -0.258 25484 2795 1 6 . 1 1 83 83 PHE CA C 83 58.950 58.950 59.061 -0.111 25484 2796 1 6 . 1 1 83 83 PHE CB C 83 38.250 38.250 36.580 1.670 25484 2797 1 6 . 1 1 84 84 CYS HA H 84 4.597 4.597 4.914 -0.317 25484 2798 1 6 . 1 1 84 84 CYS CA C 84 56.750 56.750 56.006 0.744 25484 2799 1 6 . 1 1 84 84 CYS CB C 84 30.150 30.150 30.179 -0.029 25484 2800 1 6 . 1 1 85 85 LEU N N 85 119.930 119.930 122.196 -2.266 25484 2801 1 6 . 1 1 85 85 LEU HA H 85 3.958 3.958 4.161 -0.203 25484 2802 1 6 . 1 1 85 85 LEU CA C 85 59.350 59.350 57.097 2.252 25484 2803 1 6 . 1 1 85 85 LEU CB C 85 38.180 38.180 39.629 -1.448 25484 2804 1 6 . 1 1 85 85 LEU H H 85 8.220 8.220 8.493 -0.273 25484 2805 1 6 . 1 1 86 86 ASN N N 86 115.750 115.750 115.479 0.271 25484 2806 1 6 . 1 1 86 86 ASN HA H 86 4.580 4.580 4.697 -0.117 25484 2807 1 6 . 1 1 86 86 ASN CA C 86 51.860 51.860 53.698 -1.838 25484 2808 1 6 . 1 1 86 86 ASN CB C 86 38.610 38.610 38.557 0.053 25484 2809 1 6 . 1 1 86 86 ASN H H 86 7.789 7.789 8.319 -0.530 25484 2810 1 6 . 1 1 87 87 ILE N N 87 123.260 123.260 119.838 3.422 25484 2811 1 6 . 1 1 87 87 ILE HA H 87 4.220 4.220 3.999 0.221 25484 2812 1 6 . 1 1 87 87 ILE CA C 87 61.850 61.850 62.299 -0.449 25484 2813 1 6 . 1 1 87 87 ILE CB C 87 41.330 41.330 38.471 2.859 25484 2814 1 6 . 1 1 87 87 ILE H H 87 7.160 7.160 8.303 -1.143 25484 2815 1 6 . 1 1 88 88 LYS HA H 88 4.450 4.450 4.242 0.208 25484 2816 1 6 . 1 1 88 88 LYS CA C 88 54.530 54.530 56.198 -1.668 25484 2817 1 6 . 1 1 88 88 LYS CB C 88 31.450 31.450 32.740 -1.290 25484 2818 1 6 . 1 1 89 89 GLN HA H 89 4.450 4.450 4.553 -0.103 25484 2819 1 6 . 1 1 89 89 GLN CA C 89 56.210 56.210 54.951 1.259 25484 2820 1 6 . 1 1 89 89 GLN CB C 89 29.250 29.250 29.405 -0.155 25484 2821 1 7 . 1 1 2 2 THR HA H 2 4.415 4.415 4.184 0.231 25484 2822 1 7 . 1 1 2 2 THR C C 2 174.580 174.580 174.014 0.566 25484 2823 1 7 . 1 1 2 2 THR CA C 2 62.450 62.450 63.243 -0.793 25484 2824 1 7 . 1 1 2 2 THR CB C 2 70.050 70.050 68.169 1.881 25484 2825 1 7 . 1 1 3 3 GLN N N 3 123.423 123.423 117.995 5.428 25484 2826 1 7 . 1 1 3 3 GLN HA H 3 4.480 4.480 4.565 -0.085 25484 2827 1 7 . 1 1 3 3 GLN C C 3 176.040 176.040 174.899 1.141 25484 2828 1 7 . 1 1 3 3 GLN CA C 3 55.950 55.950 55.680 0.270 25484 2829 1 7 . 1 1 3 3 GLN CB C 3 30.550 30.550 30.027 0.523 25484 2830 1 7 . 1 1 3 3 GLN H H 3 8.536 8.536 7.616 0.920 25484 2831 1 7 . 1 1 4 4 SER N N 4 119.390 119.390 117.166 2.224 25484 2832 1 7 . 1 1 4 4 SER HA H 4 4.834 4.834 4.750 0.084 25484 2833 1 7 . 1 1 4 4 SER C C 4 173.640 173.640 174.028 -0.388 25484 2834 1 7 . 1 1 4 4 SER CA C 4 56.250 56.250 60.035 -3.785 25484 2835 1 7 . 1 1 4 4 SER CB C 4 63.400 63.400 61.752 1.648 25484 2836 1 7 . 1 1 4 4 SER H H 4 8.150 8.150 8.550 -0.400 25484 2837 1 7 . 1 1 5 5 PRO HA H 5 4.480 4.480 4.437 0.043 25484 2838 1 7 . 1 1 5 5 PRO C C 5 178.180 178.180 176.139 2.041 25484 2839 1 7 . 1 1 5 5 PRO CA C 5 64.040 64.040 63.565 0.475 25484 2840 1 7 . 1 1 5 5 PRO CB C 5 32.120 32.120 32.002 0.118 25484 2841 1 7 . 1 1 6 6 GLY N N 6 108.600 108.600 105.018 3.582 25484 2842 1 7 . 1 1 6 6 GLY C C 6 174.930 174.930 174.244 0.686 25484 2843 1 7 . 1 1 6 6 GLY CA C 6 45.750 45.750 44.739 1.011 25484 2844 1 7 . 1 1 6 6 GLY H H 6 8.470 8.470 7.537 0.932 25484 2845 1 7 . 1 1 7 7 ASP N N 7 121.260 121.260 122.373 -1.113 25484 2846 1 7 . 1 1 7 7 ASP HA H 7 4.660 4.660 4.372 0.288 25484 2847 1 7 . 1 1 7 7 ASP C C 7 177.580 177.580 177.303 0.277 25484 2848 1 7 . 1 1 7 7 ASP CA C 7 55.200 55.200 57.834 -2.634 25484 2849 1 7 . 1 1 7 7 ASP CB C 7 41.400 41.400 41.065 0.335 25484 2850 1 7 . 1 1 7 7 ASP H H 7 8.130 8.130 7.860 0.270 25484 2851 1 7 . 1 1 8 8 SER N N 8 116.818 116.818 114.391 2.427 25484 2852 1 7 . 1 1 8 8 SER HA H 8 4.340 4.340 4.256 0.084 25484 2853 1 7 . 1 1 8 8 SER C C 8 176.310 176.310 176.667 -0.357 25484 2854 1 7 . 1 1 8 8 SER CA C 8 60.050 60.050 61.333 -1.283 25484 2855 1 7 . 1 1 8 8 SER CB C 8 63.190 63.190 63.185 0.005 25484 2856 1 7 . 1 1 8 8 SER H H 8 8.372 8.372 8.521 -0.149 25484 2857 1 7 . 1 1 9 9 ARG N N 9 123.150 123.150 121.574 1.576 25484 2858 1 7 . 1 1 9 9 ARG HA H 9 4.260 4.260 4.120 0.140 25484 2859 1 7 . 1 1 9 9 ARG C C 9 177.710 177.710 178.908 -1.198 25484 2860 1 7 . 1 1 9 9 ARG CA C 9 58.050 58.050 58.382 -0.332 25484 2861 1 7 . 1 1 9 9 ARG CB C 9 30.350 30.350 29.813 0.537 25484 2862 1 7 . 1 1 9 9 ARG H H 9 8.308 8.308 7.567 0.741 25484 2863 1 7 . 1 1 10 10 ARG N N 10 119.940 119.940 119.665 0.275 25484 2864 1 7 . 1 1 10 10 ARG HA H 10 4.110 4.110 4.232 -0.122 25484 2865 1 7 . 1 1 10 10 ARG C C 10 178.180 178.180 179.000 -0.820 25484 2866 1 7 . 1 1 10 10 ARG CA C 10 58.420 58.420 58.462 -0.042 25484 2867 1 7 . 1 1 10 10 ARG CB C 10 30.260 30.260 29.792 0.468 25484 2868 1 7 . 1 1 10 10 ARG H H 10 8.075 8.075 8.414 -0.339 25484 2869 1 7 . 1 1 11 11 LEU N N 11 121.060 121.060 120.134 0.926 25484 2870 1 7 . 1 1 11 11 LEU HA H 11 4.225 4.225 4.193 0.032 25484 2871 1 7 . 1 1 11 11 LEU C C 11 179.950 179.950 178.830 1.120 25484 2872 1 7 . 1 1 11 11 LEU CA C 11 57.450 57.450 57.735 -0.285 25484 2873 1 7 . 1 1 11 11 LEU CB C 11 41.910 41.910 41.434 0.476 25484 2874 1 7 . 1 1 11 11 LEU H H 11 8.160 8.160 8.736 -0.576 25484 2875 1 7 . 1 1 12 12 SER N N 12 116.470 116.470 115.915 0.555 25484 2876 1 7 . 1 1 12 12 SER HA H 12 4.317 4.317 4.225 0.092 25484 2877 1 7 . 1 1 12 12 SER C C 12 176.960 176.960 176.577 0.383 25484 2878 1 7 . 1 1 12 12 SER CA C 12 60.760 60.760 61.594 -0.834 25484 2879 1 7 . 1 1 12 12 SER CB C 12 63.350 63.350 62.874 0.476 25484 2880 1 7 . 1 1 12 12 SER H H 12 8.179 8.179 7.780 0.399 25484 2881 1 7 . 1 1 13 13 ILE N N 13 123.740 123.740 122.428 1.312 25484 2882 1 7 . 1 1 13 13 ILE HA H 13 3.690 3.690 3.620 0.070 25484 2883 1 7 . 1 1 13 13 ILE C C 13 177.660 177.660 177.375 0.285 25484 2884 1 7 . 1 1 13 13 ILE CA C 13 64.930 64.930 65.099 -0.169 25484 2885 1 7 . 1 1 13 13 ILE CB C 13 37.650 37.650 37.511 0.139 25484 2886 1 7 . 1 1 13 13 ILE H H 13 8.130 8.130 7.991 0.139 25484 2887 1 7 . 1 1 14 14 GLN N N 14 119.220 119.220 120.656 -1.436 25484 2888 1 7 . 1 1 14 14 GLN HA H 14 4.040 4.040 3.752 0.288 25484 2889 1 7 . 1 1 14 14 GLN C C 14 179.490 179.490 178.310 1.180 25484 2890 1 7 . 1 1 14 14 GLN CA C 14 59.750 59.750 60.013 -0.263 25484 2891 1 7 . 1 1 14 14 GLN CB C 14 27.730 27.730 28.525 -0.795 25484 2892 1 7 . 1 1 14 14 GLN H H 14 8.113 8.113 8.834 -0.721 25484 2893 1 7 . 1 1 15 15 ARG N N 15 119.160 119.160 118.010 1.150 25484 2894 1 7 . 1 1 15 15 ARG HA H 15 4.150 4.150 4.340 -0.190 25484 2895 1 7 . 1 1 15 15 ARG C C 15 179.460 179.460 178.648 0.812 25484 2896 1 7 . 1 1 15 15 ARG CA C 15 59.150 59.150 59.048 0.102 25484 2897 1 7 . 1 1 15 15 ARG CB C 15 30.090 30.090 30.053 0.037 25484 2898 1 7 . 1 1 15 15 ARG H H 15 8.200 8.200 7.894 0.306 25484 2899 1 7 . 1 1 16 16 ALA N N 16 124.140 124.140 124.207 -0.067 25484 2900 1 7 . 1 1 16 16 ALA HA H 16 3.990 3.990 4.168 -0.178 25484 2901 1 7 . 1 1 16 16 ALA C C 16 180.230 180.230 179.612 0.618 25484 2902 1 7 . 1 1 16 16 ALA CA C 16 55.550 55.550 54.909 0.641 25484 2903 1 7 . 1 1 16 16 ALA CB C 16 18.750 18.750 18.617 0.133 25484 2904 1 7 . 1 1 16 16 ALA H H 16 8.071 8.071 7.541 0.530 25484 2905 1 7 . 1 1 17 17 ILE N N 17 118.180 118.180 119.545 -1.365 25484 2906 1 7 . 1 1 17 17 ILE HA H 17 3.712 3.712 3.489 0.223 25484 2907 1 7 . 1 1 17 17 ILE C C 17 178.210 178.210 177.947 0.263 25484 2908 1 7 . 1 1 17 17 ILE CA C 17 64.870 64.870 65.799 -0.929 25484 2909 1 7 . 1 1 17 17 ILE CB C 17 37.640 37.640 37.753 -0.113 25484 2910 1 7 . 1 1 17 17 ILE H H 17 8.534 8.534 8.818 -0.284 25484 2911 1 7 . 1 1 18 18 GLN N N 18 118.960 118.960 119.661 -0.701 25484 2912 1 7 . 1 1 18 18 GLN HA H 18 4.134 4.134 3.895 0.239 25484 2913 1 7 . 1 1 18 18 GLN C C 18 180.050 180.050 178.913 1.137 25484 2914 1 7 . 1 1 18 18 GLN CA C 18 59.340 59.340 59.615 -0.275 25484 2915 1 7 . 1 1 18 18 GLN CB C 18 28.030 28.030 28.459 -0.429 25484 2916 1 7 . 1 1 18 18 GLN H H 18 8.200 8.200 8.794 -0.594 25484 2917 1 7 . 1 1 19 19 SER N N 19 116.320 116.320 116.213 0.107 25484 2918 1 7 . 1 1 19 19 SER HA H 19 4.388 4.388 4.215 0.173 25484 2919 1 7 . 1 1 19 19 SER C C 19 176.460 176.460 176.283 0.177 25484 2920 1 7 . 1 1 19 19 SER CA C 19 62.250 62.250 62.354 -0.104 25484 2921 1 7 . 1 1 19 19 SER CB C 19 63.270 63.270 63.080 0.191 25484 2922 1 7 . 1 1 19 19 SER H H 19 8.190 8.190 8.242 -0.052 25484 2923 1 7 . 1 1 20 20 LEU N N 20 125.540 125.540 124.468 1.072 25484 2924 1 7 . 1 1 20 20 LEU HA H 20 4.075 4.075 4.006 0.069 25484 2925 1 7 . 1 1 20 20 LEU C C 20 177.640 177.640 178.449 -0.809 25484 2926 1 7 . 1 1 20 20 LEU CA C 20 58.750 58.750 58.490 0.260 25484 2927 1 7 . 1 1 20 20 LEU CB C 20 42.390 42.390 41.900 0.490 25484 2928 1 7 . 1 1 20 20 LEU H H 20 8.290 8.290 8.203 0.087 25484 2929 1 7 . 1 1 21 21 VAL N N 21 118.690 118.690 118.112 0.578 25484 2930 1 7 . 1 1 21 21 VAL HA H 21 3.356 3.356 3.587 -0.231 25484 2931 1 7 . 1 1 21 21 VAL C C 21 178.770 178.770 177.757 1.013 25484 2932 1 7 . 1 1 21 21 VAL CA C 21 66.850 66.850 67.239 -0.389 25484 2933 1 7 . 1 1 21 21 VAL CB C 21 31.450 31.450 31.419 0.031 25484 2934 1 7 . 1 1 21 21 VAL H H 21 8.532 8.532 8.965 -0.433 25484 2935 1 7 . 1 1 22 22 HIS N N 22 116.230 116.230 119.713 -3.483 25484 2936 1 7 . 1 1 22 22 HIS HA H 22 4.230 4.230 4.229 0.001 25484 2937 1 7 . 1 1 22 22 HIS C C 22 178.420 178.420 176.979 1.441 25484 2938 1 7 . 1 1 22 22 HIS CA C 22 59.980 59.980 60.207 -0.227 25484 2939 1 7 . 1 1 22 22 HIS CB C 22 27.830 27.830 29.893 -2.063 25484 2940 1 7 . 1 1 22 22 HIS H H 22 7.980 7.980 8.017 -0.037 25484 2941 1 7 . 1 1 23 23 ALA N N 23 121.520 121.520 121.140 0.380 25484 2942 1 7 . 1 1 23 23 ALA HA H 23 4.225 4.225 4.180 0.045 25484 2943 1 7 . 1 1 23 23 ALA C C 23 179.540 179.540 178.604 0.936 25484 2944 1 7 . 1 1 23 23 ALA CA C 23 55.250 55.250 54.849 0.401 25484 2945 1 7 . 1 1 23 23 ALA CB C 23 19.550 19.550 18.565 0.985 25484 2946 1 7 . 1 1 23 23 ALA H H 23 8.640 8.640 8.642 -0.002 25484 2947 1 7 . 1 1 24 24 ALA N N 24 116.860 116.860 119.479 -2.619 25484 2948 1 7 . 1 1 24 24 ALA HA H 24 4.100 4.100 4.039 0.061 25484 2949 1 7 . 1 1 24 24 ALA C C 24 178.130 178.130 179.560 -1.430 25484 2950 1 7 . 1 1 24 24 ALA CA C 24 54.090 54.090 54.409 -0.319 25484 2951 1 7 . 1 1 24 24 ALA CB C 24 18.750 18.750 18.660 0.090 25484 2952 1 7 . 1 1 24 24 ALA H H 24 8.260 8.260 7.813 0.447 25484 2953 1 7 . 1 1 25 25 GLN N N 25 112.450 112.450 117.396 -4.946 25484 2954 1 7 . 1 1 25 25 GLN HA H 25 4.495 4.495 4.161 0.334 25484 2955 1 7 . 1 1 25 25 GLN C C 25 174.940 174.940 176.163 -1.223 25484 2956 1 7 . 1 1 25 25 GLN CA C 25 54.650 54.650 56.675 -2.025 25484 2957 1 7 . 1 1 25 25 GLN CB C 25 30.650 30.650 29.950 0.700 25484 2958 1 7 . 1 1 25 25 GLN H H 25 7.260 7.260 8.161 -0.901 25484 2959 1 7 . 1 1 26 26 CYS N N 26 124.510 124.510 120.728 3.782 25484 2960 1 7 . 1 1 26 26 CYS HA H 26 3.915 3.915 4.235 -0.320 25484 2961 1 7 . 1 1 26 26 CYS C C 26 176.690 176.690 173.405 3.285 25484 2962 1 7 . 1 1 26 26 CYS CA C 26 60.980 60.980 58.847 2.133 25484 2963 1 7 . 1 1 26 26 CYS CB C 26 29.350 29.350 28.558 0.792 25484 2964 1 7 . 1 1 26 26 CYS H H 26 7.365 7.365 8.495 -1.130 25484 2965 1 7 . 1 1 27 27 ARG N N 27 129.870 129.870 127.347 2.523 25484 2966 1 7 . 1 1 27 27 ARG HA H 27 4.635 4.635 4.566 0.069 25484 2967 1 7 . 1 1 27 27 ARG C C 27 175.660 175.660 174.262 1.398 25484 2968 1 7 . 1 1 27 27 ARG CA C 27 54.550 54.550 54.631 -0.081 25484 2969 1 7 . 1 1 27 27 ARG CB C 27 30.350 30.350 29.305 1.044 25484 2970 1 7 . 1 1 27 27 ARG H H 27 8.880 8.880 8.579 0.301 25484 2971 1 7 . 1 1 28 28 ASN N N 28 120.810 120.810 121.935 -1.125 25484 2972 1 7 . 1 1 28 28 ASN HA H 28 4.870 4.870 4.786 0.084 25484 2973 1 7 . 1 1 28 28 ASN C C 28 176.120 176.120 175.118 1.002 25484 2974 1 7 . 1 1 28 28 ASN CA C 28 51.930 51.930 53.110 -1.180 25484 2975 1 7 . 1 1 28 28 ASN CB C 28 39.060 39.060 40.305 -1.245 25484 2976 1 7 . 1 1 28 28 ASN H H 28 7.980 7.980 8.207 -0.227 25484 2977 1 7 . 1 1 29 29 ALA N N 29 130.470 130.470 125.737 4.733 25484 2978 1 7 . 1 1 29 29 ALA HA H 29 4.133 4.133 4.214 -0.081 25484 2979 1 7 . 1 1 29 29 ALA C C 29 178.380 178.380 177.011 1.369 25484 2980 1 7 . 1 1 29 29 ALA CA C 29 54.290 54.290 53.623 0.667 25484 2981 1 7 . 1 1 29 29 ALA CB C 29 18.370 18.370 19.359 -0.989 25484 2982 1 7 . 1 1 29 29 ALA H H 29 9.134 9.134 8.446 0.688 25484 2983 1 7 . 1 1 30 30 ASN N N 30 114.590 114.590 114.796 -0.206 25484 2984 1 7 . 1 1 30 30 ASN HA H 30 4.875 4.875 4.902 -0.027 25484 2985 1 7 . 1 1 30 30 ASN C C 30 174.530 174.530 174.701 -0.171 25484 2986 1 7 . 1 1 30 30 ASN CA C 30 51.930 51.930 52.397 -0.467 25484 2987 1 7 . 1 1 30 30 ASN CB C 30 38.910 38.910 39.378 -0.468 25484 2988 1 7 . 1 1 30 30 ASN H H 30 8.114 8.114 7.988 0.126 25484 2989 1 7 . 1 1 31 31 CYS N N 31 123.270 123.270 122.968 0.302 25484 2990 1 7 . 1 1 31 31 CYS HA H 31 4.050 4.050 4.323 -0.273 25484 2991 1 7 . 1 1 31 31 CYS C C 31 177.170 177.170 174.546 2.624 25484 2992 1 7 . 1 1 31 31 CYS CA C 31 61.880 61.880 58.982 2.898 25484 2993 1 7 . 1 1 31 31 CYS CB C 31 30.010 30.010 28.781 1.229 25484 2994 1 7 . 1 1 31 31 CYS H H 31 7.210 7.210 7.491 -0.281 25484 2995 1 7 . 1 1 32 32 SER N N 32 124.300 124.300 122.259 2.041 25484 2996 1 7 . 1 1 32 32 SER HA H 32 4.609 4.609 4.582 0.027 25484 2997 1 7 . 1 1 32 32 SER C C 32 175.020 175.020 173.411 1.609 25484 2998 1 7 . 1 1 32 32 SER CA C 32 58.010 58.010 56.929 1.081 25484 2999 1 7 . 1 1 32 32 SER CB C 32 64.120 64.120 62.840 1.280 25484 3000 1 7 . 1 1 32 32 SER H H 32 8.767 8.767 8.309 0.458 25484 3001 1 7 . 1 1 33 33 LEU N N 33 128.860 128.860 126.666 2.194 25484 3002 1 7 . 1 1 33 33 LEU HA H 33 4.538 4.538 4.940 -0.402 25484 3003 1 7 . 1 1 33 33 LEU C C 33 177.230 177.230 174.773 2.457 25484 3004 1 7 . 1 1 33 33 LEU CA C 33 54.450 54.450 51.435 3.015 25484 3005 1 7 . 1 1 33 33 LEU CB C 33 40.970 40.970 42.795 -1.825 25484 3006 1 7 . 1 1 33 33 LEU H H 33 8.546 8.546 7.517 1.029 25484 3007 1 7 . 1 1 34 34 PRO HA H 34 4.370 4.370 4.526 -0.156 25484 3008 1 7 . 1 1 34 34 PRO C C 34 178.640 178.640 178.613 0.027 25484 3009 1 7 . 1 1 34 34 PRO CA C 34 65.530 65.530 65.553 -0.023 25484 3010 1 7 . 1 1 34 34 PRO CB C 34 31.970 31.970 31.910 0.060 25484 3011 1 7 . 1 1 35 35 SER N N 35 111.940 111.940 113.906 -1.966 25484 3012 1 7 . 1 1 35 35 SER HA H 35 4.127 4.127 4.356 -0.229 25484 3013 1 7 . 1 1 35 35 SER C C 35 174.750 174.750 176.230 -1.480 25484 3014 1 7 . 1 1 35 35 SER CA C 35 60.100 60.100 61.123 -1.022 25484 3015 1 7 . 1 1 35 35 SER CB C 35 62.910 62.910 62.826 0.084 25484 3016 1 7 . 1 1 35 35 SER H H 35 8.350 8.350 8.607 -0.257 25484 3017 1 7 . 1 1 36 36 CYS N N 36 125.790 125.790 123.016 2.774 25484 3018 1 7 . 1 1 36 36 CYS HA H 36 4.215 4.215 4.126 0.089 25484 3019 1 7 . 1 1 36 36 CYS C C 36 177.070 177.070 176.019 1.051 25484 3020 1 7 . 1 1 36 36 CYS CA C 36 63.900 63.900 62.134 1.766 25484 3021 1 7 . 1 1 36 36 CYS CB C 36 29.650 29.650 27.275 2.375 25484 3022 1 7 . 1 1 36 36 CYS H H 36 7.490 7.490 8.128 -0.638 25484 3023 1 7 . 1 1 37 37 GLN N N 37 115.860 115.860 118.970 -3.110 25484 3024 1 7 . 1 1 37 37 GLN HA H 37 4.010 4.010 3.811 0.199 25484 3025 1 7 . 1 1 37 37 GLN C C 37 179.690 179.690 178.357 1.333 25484 3026 1 7 . 1 1 37 37 GLN CA C 37 59.980 59.980 59.234 0.746 25484 3027 1 7 . 1 1 37 37 GLN CB C 37 27.820 27.820 28.223 -0.403 25484 3028 1 7 . 1 1 37 37 GLN H H 37 8.170 8.170 8.630 -0.460 25484 3029 1 7 . 1 1 38 38 LYS N N 38 117.470 117.470 119.668 -2.198 25484 3030 1 7 . 1 1 38 38 LYS HA H 38 4.060 4.060 4.008 0.052 25484 3031 1 7 . 1 1 38 38 LYS C C 38 179.230 179.230 179.321 -0.091 25484 3032 1 7 . 1 1 38 38 LYS CA C 38 59.450 59.450 59.270 0.180 25484 3033 1 7 . 1 1 38 38 LYS CB C 38 32.650 32.650 32.191 0.459 25484 3034 1 7 . 1 1 38 38 LYS H H 38 7.920 7.920 8.012 -0.092 25484 3035 1 7 . 1 1 39 39 MET N N 39 118.050 118.050 118.070 -0.020 25484 3036 1 7 . 1 1 39 39 MET HA H 39 4.559 4.559 4.161 0.398 25484 3037 1 7 . 1 1 39 39 MET C C 39 179.720 179.720 178.463 1.257 25484 3038 1 7 . 1 1 39 39 MET CA C 39 57.250 57.250 58.197 -0.947 25484 3039 1 7 . 1 1 39 39 MET CB C 39 32.550 32.550 32.138 0.412 25484 3040 1 7 . 1 1 39 39 MET H H 39 8.370 8.370 7.634 0.736 25484 3041 1 7 . 1 1 40 40 LYS N N 40 121.630 121.630 120.671 0.959 25484 3042 1 7 . 1 1 40 40 LYS HA H 40 3.840 3.840 3.953 -0.113 25484 3043 1 7 . 1 1 40 40 LYS C C 40 180.150 180.150 179.173 0.977 25484 3044 1 7 . 1 1 40 40 LYS CA C 40 61.520 61.520 60.187 1.333 25484 3045 1 7 . 1 1 40 40 LYS CB C 40 32.620 32.620 32.303 0.316 25484 3046 1 7 . 1 1 40 40 LYS H H 40 9.490 9.490 8.617 0.873 25484 3047 1 7 . 1 1 41 41 ARG N N 41 118.300 118.300 118.245 0.055 25484 3048 1 7 . 1 1 41 41 ARG HA H 41 4.180 4.180 4.146 0.034 25484 3049 1 7 . 1 1 41 41 ARG C C 41 180.080 180.080 178.256 1.824 25484 3050 1 7 . 1 1 41 41 ARG CA C 41 59.750 59.750 58.777 0.973 25484 3051 1 7 . 1 1 41 41 ARG CB C 41 30.010 30.010 30.162 -0.152 25484 3052 1 7 . 1 1 41 41 ARG H H 41 7.610 7.610 8.215 -0.605 25484 3053 1 7 . 1 1 42 42 VAL N N 42 121.750 121.750 120.159 1.591 25484 3054 1 7 . 1 1 42 42 VAL HA H 42 3.745 3.745 3.921 -0.176 25484 3055 1 7 . 1 1 42 42 VAL C C 42 178.130 178.130 177.409 0.721 25484 3056 1 7 . 1 1 42 42 VAL CA C 42 66.760 66.760 65.851 0.909 25484 3057 1 7 . 1 1 42 42 VAL CB C 42 31.520 31.520 32.470 -0.950 25484 3058 1 7 . 1 1 42 42 VAL H H 42 7.760 7.760 7.664 0.096 25484 3059 1 7 . 1 1 43 43 VAL N N 43 120.580 120.580 121.739 -1.159 25484 3060 1 7 . 1 1 43 43 VAL HA H 43 3.531 3.531 3.539 -0.008 25484 3061 1 7 . 1 1 43 43 VAL C C 43 179.310 179.310 178.057 1.253 25484 3062 1 7 . 1 1 43 43 VAL CA C 43 67.120 67.120 67.523 -0.403 25484 3063 1 7 . 1 1 43 43 VAL CB C 43 31.510 31.510 31.412 0.098 25484 3064 1 7 . 1 1 43 43 VAL H H 43 8.500 8.500 8.398 0.102 25484 3065 1 7 . 1 1 44 44 GLN N N 44 119.280 119.280 116.890 2.390 25484 3066 1 7 . 1 1 44 44 GLN HA H 44 4.010 4.010 4.041 -0.031 25484 3067 1 7 . 1 1 44 44 GLN C C 44 179.330 179.330 178.453 0.877 25484 3068 1 7 . 1 1 44 44 GLN CA C 44 59.060 59.060 58.835 0.225 25484 3069 1 7 . 1 1 44 44 GLN CB C 44 28.030 28.030 28.114 -0.084 25484 3070 1 7 . 1 1 44 44 GLN H H 44 8.400 8.400 8.643 -0.243 25484 3071 1 7 . 1 1 45 45 HIS N N 45 119.160 119.160 120.602 -1.442 25484 3072 1 7 . 1 1 45 45 HIS HA H 45 4.283 4.283 4.325 -0.042 25484 3073 1 7 . 1 1 45 45 HIS C C 45 178.250 178.250 177.165 1.085 25484 3074 1 7 . 1 1 45 45 HIS CA C 45 59.950 59.950 59.833 0.117 25484 3075 1 7 . 1 1 45 45 HIS CB C 45 27.150 27.150 29.809 -2.659 25484 3076 1 7 . 1 1 45 45 HIS H H 45 8.190 8.190 7.983 0.207 25484 3077 1 7 . 1 1 46 46 THR N N 46 111.110 111.110 114.792 -3.682 25484 3078 1 7 . 1 1 46 46 THR HA H 46 3.859 3.859 4.058 -0.199 25484 3079 1 7 . 1 1 46 46 THR C C 46 176.350 176.350 177.556 -1.206 25484 3080 1 7 . 1 1 46 46 THR CA C 46 65.670 65.670 66.265 -0.595 25484 3081 1 7 . 1 1 46 46 THR CB C 46 69.190 69.190 68.875 0.315 25484 3082 1 7 . 1 1 46 46 THR H H 46 7.980 7.980 8.411 -0.431 25484 3083 1 7 . 1 1 47 47 LYS N N 47 120.510 120.510 119.706 0.804 25484 3084 1 7 . 1 1 47 47 LYS HA H 47 4.090 4.090 4.111 -0.021 25484 3085 1 7 . 1 1 47 47 LYS C C 47 178.150 178.150 179.097 -0.947 25484 3086 1 7 . 1 1 47 47 LYS CA C 47 58.750 58.750 58.655 0.095 25484 3087 1 7 . 1 1 47 47 LYS CB C 47 32.360 32.360 32.441 -0.081 25484 3088 1 7 . 1 1 47 47 LYS H H 47 7.410 7.410 7.817 -0.407 25484 3089 1 7 . 1 1 48 48 GLY N N 48 104.210 104.210 105.165 -0.955 25484 3090 1 7 . 1 1 48 48 GLY C C 48 174.220 174.220 174.815 -0.595 25484 3091 1 7 . 1 1 48 48 GLY CA C 48 44.753 44.753 45.215 -0.462 25484 3092 1 7 . 1 1 48 48 GLY H H 48 7.180 7.180 7.814 -0.634 25484 3093 1 7 . 1 1 49 49 CYS N N 49 123.560 123.560 121.364 2.196 25484 3094 1 7 . 1 1 49 49 CYS HA H 49 4.010 4.010 4.485 -0.475 25484 3095 1 7 . 1 1 49 49 CYS C C 49 177.230 177.230 174.316 2.914 25484 3096 1 7 . 1 1 49 49 CYS CA C 49 61.230 61.230 57.717 3.513 25484 3097 1 7 . 1 1 49 49 CYS CB C 49 29.850 29.850 26.666 3.184 25484 3098 1 7 . 1 1 49 49 CYS H H 49 6.981 6.981 7.833 -0.852 25484 3099 1 7 . 1 1 50 50 LYS N N 50 128.350 128.350 122.743 5.607 25484 3100 1 7 . 1 1 50 50 LYS HA H 50 4.524 4.524 4.073 0.451 25484 3101 1 7 . 1 1 50 50 LYS C C 50 178.040 178.040 177.499 0.541 25484 3102 1 7 . 1 1 50 50 LYS CA C 50 56.750 56.750 57.587 -0.837 25484 3103 1 7 . 1 1 50 50 LYS CB C 50 32.950 32.950 32.096 0.855 25484 3104 1 7 . 1 1 50 50 LYS H H 50 8.999 8.999 8.320 0.679 25484 3105 1 7 . 1 1 51 51 ARG N N 51 122.550 122.550 118.119 4.431 25484 3106 1 7 . 1 1 51 51 ARG HA H 51 4.428 4.428 4.095 0.333 25484 3107 1 7 . 1 1 51 51 ARG C C 51 177.410 177.410 178.437 -1.027 25484 3108 1 7 . 1 1 51 51 ARG CA C 51 57.750 57.750 57.543 0.207 25484 3109 1 7 . 1 1 51 51 ARG CB C 51 31.860 31.860 29.002 2.858 25484 3110 1 7 . 1 1 51 51 ARG H H 51 8.558 8.558 8.421 0.137 25484 3111 1 7 . 1 1 52 52 LYS N N 52 119.040 119.040 120.520 -1.480 25484 3112 1 7 . 1 1 52 52 LYS HA H 52 4.534 4.534 4.049 0.485 25484 3113 1 7 . 1 1 52 52 LYS C C 52 177.610 177.610 178.253 -0.643 25484 3114 1 7 . 1 1 52 52 LYS CA C 52 57.970 57.970 59.948 -1.978 25484 3115 1 7 . 1 1 52 52 LYS CB C 52 32.350 32.350 32.034 0.316 25484 3116 1 7 . 1 1 52 52 LYS H H 52 8.490 8.490 8.178 0.312 25484 3117 1 7 . 1 1 53 53 THR N N 53 113.034 113.034 107.868 5.166 25484 3118 1 7 . 1 1 53 53 THR HA H 53 4.160 4.160 4.362 -0.202 25484 3119 1 7 . 1 1 53 53 THR C C 53 175.610 175.610 176.742 -1.132 25484 3120 1 7 . 1 1 53 53 THR CA C 53 64.050 64.050 63.746 0.304 25484 3121 1 7 . 1 1 53 53 THR CB C 53 69.120 69.120 68.627 0.492 25484 3122 1 7 . 1 1 53 53 THR H H 53 7.760 7.760 8.120 -0.360 25484 3123 1 7 . 1 1 54 54 ASN N N 54 119.860 119.860 121.302 -1.442 25484 3124 1 7 . 1 1 54 54 ASN HA H 54 4.920 4.920 4.568 0.352 25484 3125 1 7 . 1 1 54 54 ASN C C 54 176.330 176.330 176.827 -0.497 25484 3126 1 7 . 1 1 54 54 ASN CA C 54 53.720 53.720 55.186 -1.466 25484 3127 1 7 . 1 1 54 54 ASN CB C 54 38.350 38.350 38.670 -0.320 25484 3128 1 7 . 1 1 54 54 ASN H H 54 8.290 8.290 7.921 0.369 25484 3129 1 7 . 1 1 55 55 GLY N N 55 107.570 107.570 103.737 3.833 25484 3130 1 7 . 1 1 55 55 GLY C C 55 175.660 175.660 174.506 1.154 25484 3131 1 7 . 1 1 55 55 GLY CA C 55 45.938 45.938 44.229 1.709 25484 3132 1 7 . 1 1 55 55 GLY H H 55 8.006 8.006 7.922 0.084 25484 3133 1 7 . 1 1 56 56 GLY N N 56 107.290 107.290 109.130 -1.840 25484 3134 1 7 . 1 1 56 56 GLY C C 56 173.710 173.710 174.689 -0.979 25484 3135 1 7 . 1 1 56 56 GLY CA C 56 45.570 45.570 45.033 0.536 25484 3136 1 7 . 1 1 56 56 GLY H H 56 7.840 7.840 7.695 0.145 25484 3137 1 7 . 1 1 57 57 CYS N N 57 122.730 122.730 119.343 3.387 25484 3138 1 7 . 1 1 57 57 CYS HA H 57 4.505 4.505 4.690 -0.185 25484 3139 1 7 . 1 1 57 57 CYS C C 57 175.090 175.090 173.536 1.554 25484 3140 1 7 . 1 1 57 57 CYS CA C 57 55.950 55.950 56.400 -0.450 25484 3141 1 7 . 1 1 57 57 CYS CB C 57 30.760 30.760 29.353 1.407 25484 3142 1 7 . 1 1 57 57 CYS H H 57 8.048 8.048 7.725 0.323 25484 3143 1 7 . 1 1 58 58 PRO HA H 58 4.338 4.338 4.523 -0.185 25484 3144 1 7 . 1 1 58 58 PRO CA C 58 65.050 65.050 62.319 2.731 25484 3145 1 7 . 1 1 58 58 PRO CB C 58 32.620 32.620 32.591 0.029 25484 3146 1 7 . 1 1 59 59 ILE N N 59 121.256 121.256 117.297 3.959 25484 3147 1 7 . 1 1 59 59 ILE HA H 59 3.818 3.818 3.725 0.093 25484 3148 1 7 . 1 1 59 59 ILE C C 59 178.820 178.820 176.208 2.612 25484 3149 1 7 . 1 1 59 59 ILE CA C 59 64.590 64.590 63.436 1.154 25484 3150 1 7 . 1 1 59 59 ILE CB C 59 38.890 38.890 37.724 1.166 25484 3151 1 7 . 1 1 59 59 ILE H H 59 7.900 7.900 8.482 -0.582 25484 3152 1 7 . 1 1 60 60 CYS N N 60 123.970 123.970 116.384 7.586 25484 3153 1 7 . 1 1 60 60 CYS HA H 60 4.117 4.117 4.209 -0.092 25484 3154 1 7 . 1 1 60 60 CYS C C 60 178.110 178.110 176.373 1.737 25484 3155 1 7 . 1 1 60 60 CYS CA C 60 66.090 66.090 61.986 4.104 25484 3156 1 7 . 1 1 60 60 CYS CB C 60 29.150 29.150 28.714 0.436 25484 3157 1 7 . 1 1 60 60 CYS H H 60 8.914 8.914 8.291 0.623 25484 3158 1 7 . 1 1 61 61 LYS N N 61 117.210 117.210 120.972 -3.762 25484 3159 1 7 . 1 1 61 61 LYS HA H 61 3.910 3.910 3.941 -0.031 25484 3160 1 7 . 1 1 61 61 LYS C C 61 179.460 179.460 178.544 0.916 25484 3161 1 7 . 1 1 61 61 LYS CA C 61 59.970 59.970 60.036 -0.066 25484 3162 1 7 . 1 1 61 61 LYS CB C 61 32.650 32.650 32.454 0.196 25484 3163 1 7 . 1 1 61 61 LYS H H 61 8.090 8.090 8.593 -0.503 25484 3164 1 7 . 1 1 62 62 GLN N N 62 117.780 117.780 116.538 1.242 25484 3165 1 7 . 1 1 62 62 GLN HA H 62 4.203 4.203 4.198 0.005 25484 3166 1 7 . 1 1 62 62 GLN C C 62 178.564 178.564 178.137 0.427 25484 3167 1 7 . 1 1 62 62 GLN CA C 62 58.450 58.450 58.388 0.062 25484 3168 1 7 . 1 1 62 62 GLN CB C 62 29.140 29.140 28.067 1.073 25484 3169 1 7 . 1 1 62 62 GLN H H 62 7.360 7.360 8.420 -1.060 25484 3170 1 7 . 1 1 63 63 LEU N N 63 119.930 119.930 121.706 -1.776 25484 3171 1 7 . 1 1 63 63 LEU HA H 63 4.218 4.218 4.255 -0.037 25484 3172 1 7 . 1 1 63 63 LEU C C 63 179.440 179.440 177.748 1.692 25484 3173 1 7 . 1 1 63 63 LEU CA C 63 58.550 58.550 57.242 1.308 25484 3174 1 7 . 1 1 63 63 LEU CB C 63 41.910 41.910 41.814 0.096 25484 3175 1 7 . 1 1 63 63 LEU H H 63 8.075 8.075 7.512 0.563 25484 3176 1 7 . 1 1 64 64 ILE N N 64 120.280 120.280 120.882 -0.602 25484 3177 1 7 . 1 1 64 64 ILE HA H 64 3.600 3.600 3.569 0.031 25484 3178 1 7 . 1 1 64 64 ILE C C 64 177.950 177.950 177.809 0.141 25484 3179 1 7 . 1 1 64 64 ILE CA C 64 65.250 65.250 65.932 -0.682 25484 3180 1 7 . 1 1 64 64 ILE CB C 64 37.320 37.320 37.387 -0.067 25484 3181 1 7 . 1 1 64 64 ILE H H 64 8.466 8.466 8.673 -0.207 25484 3182 1 7 . 1 1 65 65 ALA N N 65 122.590 122.590 122.142 0.448 25484 3183 1 7 . 1 1 65 65 ALA HA H 65 4.185 4.185 3.409 0.776 25484 3184 1 7 . 1 1 65 65 ALA C C 65 181.010 181.010 179.085 1.925 25484 3185 1 7 . 1 1 65 65 ALA CA C 65 55.220 55.220 55.179 0.041 25484 3186 1 7 . 1 1 65 65 ALA CB C 65 18.450 18.450 18.086 0.364 25484 3187 1 7 . 1 1 65 65 ALA H H 65 7.496 7.496 8.376 -0.880 25484 3188 1 7 . 1 1 66 66 LEU N N 66 115.599 115.599 120.466 -4.867 25484 3189 1 7 . 1 1 66 66 LEU HA H 66 4.100 4.100 3.997 0.103 25484 3190 1 7 . 1 1 66 66 LEU C C 66 179.380 179.380 179.161 0.219 25484 3191 1 7 . 1 1 66 66 LEU CA C 66 57.930 57.930 57.700 0.230 25484 3192 1 7 . 1 1 66 66 LEU CB C 66 41.410 41.410 41.612 -0.202 25484 3193 1 7 . 1 1 66 66 LEU H H 66 8.139 8.139 7.778 0.361 25484 3194 1 7 . 1 1 67 67 ALA N N 67 122.670 122.670 121.172 1.498 25484 3195 1 7 . 1 1 67 67 ALA HA H 67 3.958 3.958 4.009 -0.051 25484 3196 1 7 . 1 1 67 67 ALA C C 67 180.060 180.060 179.367 0.693 25484 3197 1 7 . 1 1 67 67 ALA CA C 67 55.750 55.750 55.417 0.333 25484 3198 1 7 . 1 1 67 67 ALA CB C 67 19.220 19.220 18.284 0.936 25484 3199 1 7 . 1 1 67 67 ALA H H 67 8.770 8.770 8.907 -0.137 25484 3200 1 7 . 1 1 68 68 ALA N N 68 120.580 120.580 122.273 -1.693 25484 3201 1 7 . 1 1 68 68 ALA HA H 68 4.142 4.142 4.351 -0.209 25484 3202 1 7 . 1 1 68 68 ALA C C 68 179.540 179.540 180.030 -0.490 25484 3203 1 7 . 1 1 68 68 ALA CA C 68 55.450 55.450 54.782 0.667 25484 3204 1 7 . 1 1 68 68 ALA CB C 68 18.220 18.220 18.676 -0.456 25484 3205 1 7 . 1 1 68 68 ALA H H 68 8.604 8.604 8.296 0.308 25484 3206 1 7 . 1 1 69 69 TYR HA H 69 4.345 4.345 4.393 -0.048 25484 3207 1 7 . 1 1 69 69 TYR CA C 69 57.750 57.750 59.167 -1.417 25484 3208 1 7 . 1 1 69 69 TYR CB C 69 38.580 38.580 37.483 1.097 25484 3209 1 7 . 1 1 71 71 ALA HA H 71 4.000 4.000 3.946 0.054 25484 3210 1 7 . 1 1 71 71 ALA C C 71 179.540 179.540 178.494 1.046 25484 3211 1 7 . 1 1 71 71 ALA CA C 71 54.850 54.850 54.972 -0.122 25484 3212 1 7 . 1 1 71 71 ALA CB C 71 19.650 19.650 18.377 1.273 25484 3213 1 7 . 1 1 72 72 LYS N N 72 114.680 114.680 115.483 -0.803 25484 3214 1 7 . 1 1 72 72 LYS HA H 72 3.904 3.904 4.019 -0.115 25484 3215 1 7 . 1 1 72 72 LYS C C 72 177.120 177.120 178.052 -0.932 25484 3216 1 7 . 1 1 72 72 LYS CA C 72 58.230 58.230 58.763 -0.533 25484 3217 1 7 . 1 1 72 72 LYS CB C 72 32.340 32.340 32.633 -0.293 25484 3218 1 7 . 1 1 72 72 LYS H H 72 7.080 7.080 8.165 -1.085 25484 3219 1 7 . 1 1 73 73 HIS N N 73 113.498 113.498 114.625 -1.127 25484 3220 1 7 . 1 1 73 73 HIS HA H 73 4.826 4.826 4.525 0.301 25484 3221 1 7 . 1 1 73 73 HIS C C 73 173.660 173.660 175.216 -1.556 25484 3222 1 7 . 1 1 73 73 HIS CA C 73 54.380 54.380 55.785 -1.405 25484 3223 1 7 . 1 1 73 73 HIS CB C 73 30.350 30.350 32.483 -2.133 25484 3224 1 7 . 1 1 73 73 HIS H H 73 7.250 7.250 7.930 -0.680 25484 3225 1 7 . 1 1 74 74 CYS N N 74 123.830 123.830 122.009 1.821 25484 3226 1 7 . 1 1 74 74 CYS HA H 74 4.150 4.150 4.092 0.058 25484 3227 1 7 . 1 1 74 74 CYS C C 74 176.480 176.480 173.852 2.628 25484 3228 1 7 . 1 1 74 74 CYS CA C 74 60.250 60.250 58.896 1.354 25484 3229 1 7 . 1 1 74 74 CYS CB C 74 29.930 29.930 26.147 3.783 25484 3230 1 7 . 1 1 74 74 CYS H H 74 7.140 7.140 8.475 -1.335 25484 3231 1 7 . 1 1 75 75 GLN N N 75 128.740 128.740 127.251 1.489 25484 3232 1 7 . 1 1 75 75 GLN HA H 75 4.685 4.685 4.397 0.288 25484 3233 1 7 . 1 1 75 75 GLN C C 75 176.090 176.090 174.953 1.137 25484 3234 1 7 . 1 1 75 75 GLN CA C 75 54.900 54.900 55.341 -0.441 25484 3235 1 7 . 1 1 75 75 GLN CB C 75 29.840 29.840 28.087 1.753 25484 3236 1 7 . 1 1 75 75 GLN H H 75 9.088 9.088 8.471 0.617 25484 3237 1 7 . 1 1 76 76 GLU N N 76 123.190 123.190 124.263 -1.073 25484 3238 1 7 . 1 1 76 76 GLU HA H 76 4.480 4.480 4.472 0.008 25484 3239 1 7 . 1 1 76 76 GLU C C 76 177.030 177.030 174.600 2.430 25484 3240 1 7 . 1 1 76 76 GLU CA C 76 56.210 56.210 55.892 0.317 25484 3241 1 7 . 1 1 76 76 GLU CB C 76 30.660 30.660 32.827 -2.167 25484 3242 1 7 . 1 1 76 76 GLU H H 76 8.390 8.390 7.877 0.513 25484 3243 1 7 . 1 1 77 77 ASN N N 77 124.760 124.760 122.321 2.439 25484 3244 1 7 . 1 1 77 77 ASN HA H 77 4.549 4.549 4.871 -0.322 25484 3245 1 7 . 1 1 77 77 ASN C C 77 176.070 176.070 175.085 0.985 25484 3246 1 7 . 1 1 77 77 ASN CA C 77 55.100 55.100 52.478 2.622 25484 3247 1 7 . 1 1 77 77 ASN CB C 77 38.650 38.650 39.654 -1.004 25484 3248 1 7 . 1 1 77 77 ASN H H 77 8.848 8.848 8.671 0.177 25484 3249 1 7 . 1 1 78 78 LYS N N 78 120.810 120.810 122.566 -1.756 25484 3250 1 7 . 1 1 78 78 LYS HA H 78 4.460 4.460 4.124 0.336 25484 3251 1 7 . 1 1 78 78 LYS C C 78 175.230 175.230 175.511 -0.281 25484 3252 1 7 . 1 1 78 78 LYS CA C 78 54.920 54.920 57.719 -2.799 25484 3253 1 7 . 1 1 78 78 LYS CB C 78 31.020 31.020 32.902 -1.882 25484 3254 1 7 . 1 1 78 78 LYS H H 78 8.636 8.636 8.187 0.449 25484 3255 1 7 . 1 1 80 80 PRO HA H 80 4.710 4.710 4.516 0.194 25484 3256 1 7 . 1 1 80 80 PRO CA C 80 62.850 62.850 63.146 -0.296 25484 3257 1 7 . 1 1 80 80 PRO CB C 80 32.150 32.150 32.964 -0.814 25484 3258 1 7 . 1 1 81 81 VAL HA H 81 3.578 3.578 4.251 -0.673 25484 3259 1 7 . 1 1 81 81 VAL CA C 81 62.350 62.350 58.529 3.821 25484 3260 1 7 . 1 1 81 81 VAL CB C 81 31.616 31.616 31.933 -0.317 25484 3261 1 7 . 1 1 82 82 PRO HA H 82 4.850 4.850 3.863 0.987 25484 3262 1 7 . 1 1 82 82 PRO CA C 82 63.350 63.350 62.320 1.030 25484 3263 1 7 . 1 1 82 82 PRO CB C 82 32.050 32.050 32.008 0.042 25484 3264 1 7 . 1 1 83 83 PHE HA H 83 4.160 4.160 4.186 -0.026 25484 3265 1 7 . 1 1 83 83 PHE CA C 83 58.950 58.950 59.375 -0.425 25484 3266 1 7 . 1 1 83 83 PHE CB C 83 38.250 38.250 36.344 1.906 25484 3267 1 7 . 1 1 84 84 CYS HA H 84 4.597 4.597 4.721 -0.124 25484 3268 1 7 . 1 1 84 84 CYS CA C 84 56.750 56.750 56.063 0.687 25484 3269 1 7 . 1 1 84 84 CYS CB C 84 30.150 30.150 30.108 0.042 25484 3270 1 7 . 1 1 85 85 LEU N N 85 119.930 119.930 121.523 -1.593 25484 3271 1 7 . 1 1 85 85 LEU HA H 85 3.958 3.958 4.147 -0.189 25484 3272 1 7 . 1 1 85 85 LEU CA C 85 59.350 59.350 56.495 2.855 25484 3273 1 7 . 1 1 85 85 LEU CB C 85 38.180 38.180 38.839 -0.659 25484 3274 1 7 . 1 1 85 85 LEU H H 85 8.220 8.220 8.766 -0.546 25484 3275 1 7 . 1 1 86 86 ASN N N 86 115.750 115.750 117.598 -1.848 25484 3276 1 7 . 1 1 86 86 ASN HA H 86 4.580 4.580 4.767 -0.187 25484 3277 1 7 . 1 1 86 86 ASN CA C 86 51.860 51.860 53.785 -1.925 25484 3278 1 7 . 1 1 86 86 ASN CB C 86 38.610 38.610 41.588 -2.978 25484 3279 1 7 . 1 1 86 86 ASN H H 86 7.789 7.789 8.426 -0.637 25484 3280 1 7 . 1 1 87 87 ILE N N 87 123.260 123.260 120.138 3.122 25484 3281 1 7 . 1 1 87 87 ILE HA H 87 4.220 4.220 3.927 0.293 25484 3282 1 7 . 1 1 87 87 ILE CA C 87 61.850 61.850 63.123 -1.272 25484 3283 1 7 . 1 1 87 87 ILE CB C 87 41.330 41.330 38.298 3.032 25484 3284 1 7 . 1 1 87 87 ILE H H 87 7.160 7.160 8.472 -1.312 25484 3285 1 7 . 1 1 88 88 LYS HA H 88 4.450 4.450 4.582 -0.132 25484 3286 1 7 . 1 1 88 88 LYS CA C 88 54.530 54.530 54.742 -0.212 25484 3287 1 7 . 1 1 88 88 LYS CB C 88 31.450 31.450 33.130 -1.680 25484 3288 1 7 . 1 1 89 89 GLN HA H 89 4.450 4.450 4.507 -0.057 25484 3289 1 7 . 1 1 89 89 GLN CA C 89 56.210 56.210 56.041 0.169 25484 3290 1 7 . 1 1 89 89 GLN CB C 89 29.250 29.250 28.379 0.871 25484 3291 1 8 . 1 1 2 2 THR HA H 2 4.415 4.415 3.926 0.489 25484 3292 1 8 . 1 1 2 2 THR C C 2 174.580 174.580 174.894 -0.314 25484 3293 1 8 . 1 1 2 2 THR CA C 2 62.450 62.450 65.262 -2.812 25484 3294 1 8 . 1 1 2 2 THR CB C 2 70.050 70.050 68.994 1.056 25484 3295 1 8 . 1 1 3 3 GLN N N 3 123.423 123.423 116.469 6.954 25484 3296 1 8 . 1 1 3 3 GLN HA H 3 4.480 4.480 4.542 -0.062 25484 3297 1 8 . 1 1 3 3 GLN C C 3 176.040 176.040 175.764 0.276 25484 3298 1 8 . 1 1 3 3 GLN CA C 3 55.950 55.950 55.403 0.547 25484 3299 1 8 . 1 1 3 3 GLN CB C 3 30.550 30.550 29.877 0.673 25484 3300 1 8 . 1 1 3 3 GLN H H 3 8.536 8.536 8.125 0.411 25484 3301 1 8 . 1 1 4 4 SER N N 4 119.390 119.390 118.117 1.273 25484 3302 1 8 . 1 1 4 4 SER HA H 4 4.834 4.834 4.686 0.148 25484 3303 1 8 . 1 1 4 4 SER C C 4 173.640 173.640 173.835 -0.195 25484 3304 1 8 . 1 1 4 4 SER CA C 4 56.250 56.250 60.611 -4.361 25484 3305 1 8 . 1 1 4 4 SER CB C 4 63.400 63.400 62.012 1.388 25484 3306 1 8 . 1 1 4 4 SER H H 4 8.150 8.150 8.194 -0.044 25484 3307 1 8 . 1 1 5 5 PRO HA H 5 4.480 4.480 4.456 0.024 25484 3308 1 8 . 1 1 5 5 PRO C C 5 178.180 178.180 176.240 1.940 25484 3309 1 8 . 1 1 5 5 PRO CA C 5 64.040 64.040 63.436 0.604 25484 3310 1 8 . 1 1 5 5 PRO CB C 5 32.120 32.120 32.014 0.105 25484 3311 1 8 . 1 1 6 6 GLY N N 6 108.600 108.600 106.265 2.335 25484 3312 1 8 . 1 1 6 6 GLY C C 6 174.930 174.930 174.372 0.558 25484 3313 1 8 . 1 1 6 6 GLY CA C 6 45.750 45.750 44.634 1.116 25484 3314 1 8 . 1 1 6 6 GLY H H 6 8.470 8.470 7.679 0.791 25484 3315 1 8 . 1 1 7 7 ASP N N 7 121.260 121.260 122.730 -1.470 25484 3316 1 8 . 1 1 7 7 ASP HA H 7 4.660 4.660 4.360 0.300 25484 3317 1 8 . 1 1 7 7 ASP C C 7 177.580 177.580 177.220 0.360 25484 3318 1 8 . 1 1 7 7 ASP CA C 7 55.200 55.200 57.786 -2.586 25484 3319 1 8 . 1 1 7 7 ASP CB C 7 41.400 41.400 41.163 0.237 25484 3320 1 8 . 1 1 7 7 ASP H H 7 8.130 8.130 8.095 0.035 25484 3321 1 8 . 1 1 8 8 SER N N 8 116.818 116.818 113.983 2.835 25484 3322 1 8 . 1 1 8 8 SER HA H 8 4.340 4.340 4.232 0.108 25484 3323 1 8 . 1 1 8 8 SER C C 8 176.310 176.310 176.659 -0.349 25484 3324 1 8 . 1 1 8 8 SER CA C 8 60.050 60.050 61.238 -1.188 25484 3325 1 8 . 1 1 8 8 SER CB C 8 63.190 63.190 63.024 0.166 25484 3326 1 8 . 1 1 8 8 SER H H 8 8.372 8.372 8.534 -0.162 25484 3327 1 8 . 1 1 9 9 ARG N N 9 123.150 123.150 122.013 1.137 25484 3328 1 8 . 1 1 9 9 ARG HA H 9 4.260 4.260 4.162 0.098 25484 3329 1 8 . 1 1 9 9 ARG C C 9 177.710 177.710 178.692 -0.982 25484 3330 1 8 . 1 1 9 9 ARG CA C 9 58.050 58.050 58.184 -0.134 25484 3331 1 8 . 1 1 9 9 ARG CB C 9 30.350 30.350 29.901 0.449 25484 3332 1 8 . 1 1 9 9 ARG H H 9 8.308 8.308 7.604 0.704 25484 3333 1 8 . 1 1 10 10 ARG N N 10 119.940 119.940 119.737 0.203 25484 3334 1 8 . 1 1 10 10 ARG HA H 10 4.110 4.110 4.155 -0.045 25484 3335 1 8 . 1 1 10 10 ARG C C 10 178.180 178.180 178.892 -0.712 25484 3336 1 8 . 1 1 10 10 ARG CA C 10 58.420 58.420 59.280 -0.860 25484 3337 1 8 . 1 1 10 10 ARG CB C 10 30.260 30.260 30.170 0.090 25484 3338 1 8 . 1 1 10 10 ARG H H 10 8.075 8.075 8.233 -0.158 25484 3339 1 8 . 1 1 11 11 LEU N N 11 121.060 121.060 120.451 0.609 25484 3340 1 8 . 1 1 11 11 LEU HA H 11 4.225 4.225 4.131 0.094 25484 3341 1 8 . 1 1 11 11 LEU C C 11 179.950 179.950 178.946 1.004 25484 3342 1 8 . 1 1 11 11 LEU CA C 11 57.450 57.450 58.206 -0.756 25484 3343 1 8 . 1 1 11 11 LEU CB C 11 41.910 41.910 41.503 0.407 25484 3344 1 8 . 1 1 11 11 LEU H H 11 8.160 8.160 8.702 -0.542 25484 3345 1 8 . 1 1 12 12 SER N N 12 116.470 116.470 115.716 0.754 25484 3346 1 8 . 1 1 12 12 SER HA H 12 4.317 4.317 4.295 0.022 25484 3347 1 8 . 1 1 12 12 SER C C 12 176.960 176.960 176.789 0.171 25484 3348 1 8 . 1 1 12 12 SER CA C 12 60.760 60.760 61.653 -0.893 25484 3349 1 8 . 1 1 12 12 SER CB C 12 63.350 63.350 62.749 0.601 25484 3350 1 8 . 1 1 12 12 SER H H 12 8.179 8.179 7.731 0.448 25484 3351 1 8 . 1 1 13 13 ILE N N 13 123.740 123.740 122.914 0.826 25484 3352 1 8 . 1 1 13 13 ILE HA H 13 3.690 3.690 3.694 -0.004 25484 3353 1 8 . 1 1 13 13 ILE C C 13 177.660 177.660 177.257 0.403 25484 3354 1 8 . 1 1 13 13 ILE CA C 13 64.930 64.930 64.861 0.069 25484 3355 1 8 . 1 1 13 13 ILE CB C 13 37.650 37.650 37.436 0.214 25484 3356 1 8 . 1 1 13 13 ILE H H 13 8.130 8.130 8.100 0.030 25484 3357 1 8 . 1 1 14 14 GLN N N 14 119.220 119.220 119.986 -0.766 25484 3358 1 8 . 1 1 14 14 GLN HA H 14 4.040 4.040 3.894 0.146 25484 3359 1 8 . 1 1 14 14 GLN C C 14 179.490 179.490 178.811 0.679 25484 3360 1 8 . 1 1 14 14 GLN CA C 14 59.750 59.750 59.837 -0.087 25484 3361 1 8 . 1 1 14 14 GLN CB C 14 27.730 27.730 28.271 -0.541 25484 3362 1 8 . 1 1 14 14 GLN H H 14 8.113 8.113 8.855 -0.742 25484 3363 1 8 . 1 1 15 15 ARG N N 15 119.160 119.160 118.308 0.852 25484 3364 1 8 . 1 1 15 15 ARG HA H 15 4.150 4.150 4.110 0.040 25484 3365 1 8 . 1 1 15 15 ARG C C 15 179.460 179.460 178.479 0.981 25484 3366 1 8 . 1 1 15 15 ARG CA C 15 59.150 59.150 59.209 -0.059 25484 3367 1 8 . 1 1 15 15 ARG CB C 15 30.090 30.090 30.018 0.072 25484 3368 1 8 . 1 1 15 15 ARG H H 15 8.200 8.200 8.075 0.125 25484 3369 1 8 . 1 1 16 16 ALA N N 16 124.140 124.140 124.117 0.023 25484 3370 1 8 . 1 1 16 16 ALA HA H 16 3.990 3.990 4.157 -0.167 25484 3371 1 8 . 1 1 16 16 ALA C C 16 180.230 180.230 179.670 0.560 25484 3372 1 8 . 1 1 16 16 ALA CA C 16 55.550 55.550 54.910 0.639 25484 3373 1 8 . 1 1 16 16 ALA CB C 16 18.750 18.750 18.593 0.157 25484 3374 1 8 . 1 1 16 16 ALA H H 16 8.071 8.071 7.534 0.537 25484 3375 1 8 . 1 1 17 17 ILE N N 17 118.180 118.180 119.460 -1.280 25484 3376 1 8 . 1 1 17 17 ILE HA H 17 3.712 3.712 3.449 0.263 25484 3377 1 8 . 1 1 17 17 ILE C C 17 178.210 178.210 177.768 0.442 25484 3378 1 8 . 1 1 17 17 ILE CA C 17 64.870 64.870 65.859 -0.989 25484 3379 1 8 . 1 1 17 17 ILE CB C 17 37.640 37.640 37.859 -0.220 25484 3380 1 8 . 1 1 17 17 ILE H H 17 8.534 8.534 8.835 -0.301 25484 3381 1 8 . 1 1 18 18 GLN N N 18 118.960 118.960 119.207 -0.247 25484 3382 1 8 . 1 1 18 18 GLN HA H 18 4.134 4.134 3.879 0.255 25484 3383 1 8 . 1 1 18 18 GLN C C 18 180.050 180.050 178.753 1.297 25484 3384 1 8 . 1 1 18 18 GLN CA C 18 59.340 59.340 59.563 -0.223 25484 3385 1 8 . 1 1 18 18 GLN CB C 18 28.030 28.030 28.543 -0.513 25484 3386 1 8 . 1 1 18 18 GLN H H 18 8.200 8.200 8.814 -0.614 25484 3387 1 8 . 1 1 19 19 SER N N 19 116.320 116.320 116.371 -0.051 25484 3388 1 8 . 1 1 19 19 SER HA H 19 4.388 4.388 4.230 0.158 25484 3389 1 8 . 1 1 19 19 SER C C 19 176.460 176.460 176.319 0.141 25484 3390 1 8 . 1 1 19 19 SER CA C 19 62.250 62.250 62.445 -0.195 25484 3391 1 8 . 1 1 19 19 SER CB C 19 63.270 63.270 63.039 0.231 25484 3392 1 8 . 1 1 19 19 SER H H 19 8.190 8.190 8.369 -0.179 25484 3393 1 8 . 1 1 20 20 LEU N N 20 125.540 125.540 124.477 1.063 25484 3394 1 8 . 1 1 20 20 LEU HA H 20 4.075 4.075 4.001 0.074 25484 3395 1 8 . 1 1 20 20 LEU C C 20 177.640 177.640 178.399 -0.759 25484 3396 1 8 . 1 1 20 20 LEU CA C 20 58.750 58.750 58.379 0.371 25484 3397 1 8 . 1 1 20 20 LEU CB C 20 42.390 42.390 41.996 0.394 25484 3398 1 8 . 1 1 20 20 LEU H H 20 8.290 8.290 7.997 0.293 25484 3399 1 8 . 1 1 21 21 VAL N N 21 118.690 118.690 118.640 0.050 25484 3400 1 8 . 1 1 21 21 VAL HA H 21 3.356 3.356 3.430 -0.074 25484 3401 1 8 . 1 1 21 21 VAL C C 21 178.770 178.770 177.525 1.245 25484 3402 1 8 . 1 1 21 21 VAL CA C 21 66.850 66.850 67.539 -0.689 25484 3403 1 8 . 1 1 21 21 VAL CB C 21 31.450 31.450 31.593 -0.143 25484 3404 1 8 . 1 1 21 21 VAL H H 21 8.532 8.532 8.977 -0.445 25484 3405 1 8 . 1 1 22 22 HIS N N 22 116.230 116.230 119.303 -3.073 25484 3406 1 8 . 1 1 22 22 HIS HA H 22 4.230 4.230 4.221 0.009 25484 3407 1 8 . 1 1 22 22 HIS C C 22 178.420 178.420 176.855 1.565 25484 3408 1 8 . 1 1 22 22 HIS CA C 22 59.980 59.980 59.924 0.056 25484 3409 1 8 . 1 1 22 22 HIS CB C 22 27.830 27.830 29.609 -1.779 25484 3410 1 8 . 1 1 22 22 HIS H H 22 7.980 7.980 8.088 -0.108 25484 3411 1 8 . 1 1 23 23 ALA N N 23 121.520 121.520 121.298 0.222 25484 3412 1 8 . 1 1 23 23 ALA HA H 23 4.225 4.225 4.061 0.164 25484 3413 1 8 . 1 1 23 23 ALA C C 23 179.540 179.540 178.660 0.880 25484 3414 1 8 . 1 1 23 23 ALA CA C 23 55.250 55.250 54.821 0.430 25484 3415 1 8 . 1 1 23 23 ALA CB C 23 19.550 19.550 18.515 1.035 25484 3416 1 8 . 1 1 23 23 ALA H H 23 8.640 8.640 8.401 0.239 25484 3417 1 8 . 1 1 24 24 ALA N N 24 116.860 116.860 119.581 -2.721 25484 3418 1 8 . 1 1 24 24 ALA HA H 24 4.100 4.100 4.021 0.079 25484 3419 1 8 . 1 1 24 24 ALA C C 24 178.130 178.130 179.511 -1.381 25484 3420 1 8 . 1 1 24 24 ALA CA C 24 54.090 54.090 54.432 -0.342 25484 3421 1 8 . 1 1 24 24 ALA CB C 24 18.750 18.750 18.697 0.053 25484 3422 1 8 . 1 1 24 24 ALA H H 24 8.260 8.260 7.828 0.432 25484 3423 1 8 . 1 1 25 25 GLN N N 25 112.450 112.450 117.141 -4.691 25484 3424 1 8 . 1 1 25 25 GLN HA H 25 4.495 4.495 4.169 0.326 25484 3425 1 8 . 1 1 25 25 GLN C C 25 174.940 174.940 175.808 -0.868 25484 3426 1 8 . 1 1 25 25 GLN CA C 25 54.650 54.650 56.765 -2.115 25484 3427 1 8 . 1 1 25 25 GLN CB C 25 30.650 30.650 30.050 0.600 25484 3428 1 8 . 1 1 25 25 GLN H H 25 7.260 7.260 8.423 -1.163 25484 3429 1 8 . 1 1 26 26 CYS N N 26 124.510 124.510 119.855 4.655 25484 3430 1 8 . 1 1 26 26 CYS HA H 26 3.915 3.915 4.251 -0.336 25484 3431 1 8 . 1 1 26 26 CYS C C 26 176.690 176.690 173.264 3.426 25484 3432 1 8 . 1 1 26 26 CYS CA C 26 60.980 60.980 58.397 2.583 25484 3433 1 8 . 1 1 26 26 CYS CB C 26 29.350 29.350 28.395 0.955 25484 3434 1 8 . 1 1 26 26 CYS H H 26 7.365 7.365 8.441 -1.076 25484 3435 1 8 . 1 1 27 27 ARG N N 27 129.870 129.870 127.864 2.006 25484 3436 1 8 . 1 1 27 27 ARG HA H 27 4.635 4.635 4.479 0.156 25484 3437 1 8 . 1 1 27 27 ARG C C 27 175.660 175.660 173.953 1.707 25484 3438 1 8 . 1 1 27 27 ARG CA C 27 54.550 54.550 54.755 -0.205 25484 3439 1 8 . 1 1 27 27 ARG CB C 27 30.350 30.350 29.027 1.323 25484 3440 1 8 . 1 1 27 27 ARG H H 27 8.880 8.880 8.484 0.396 25484 3441 1 8 . 1 1 28 28 ASN N N 28 120.810 120.810 121.913 -1.103 25484 3442 1 8 . 1 1 28 28 ASN HA H 28 4.870 4.870 4.776 0.094 25484 3443 1 8 . 1 1 28 28 ASN C C 28 176.120 176.120 175.288 0.832 25484 3444 1 8 . 1 1 28 28 ASN CA C 28 51.930 51.930 53.160 -1.230 25484 3445 1 8 . 1 1 28 28 ASN CB C 28 39.060 39.060 40.263 -1.203 25484 3446 1 8 . 1 1 28 28 ASN H H 28 7.980 7.980 8.023 -0.043 25484 3447 1 8 . 1 1 29 29 ALA N N 29 130.470 130.470 127.042 3.428 25484 3448 1 8 . 1 1 29 29 ALA HA H 29 4.133 4.133 4.145 -0.012 25484 3449 1 8 . 1 1 29 29 ALA C C 29 178.380 178.380 177.154 1.226 25484 3450 1 8 . 1 1 29 29 ALA CA C 29 54.290 54.290 54.159 0.131 25484 3451 1 8 . 1 1 29 29 ALA CB C 29 18.370 18.370 19.202 -0.832 25484 3452 1 8 . 1 1 29 29 ALA H H 29 9.134 9.134 8.524 0.610 25484 3453 1 8 . 1 1 30 30 ASN N N 30 114.590 114.590 115.162 -0.572 25484 3454 1 8 . 1 1 30 30 ASN HA H 30 4.875 4.875 4.878 -0.003 25484 3455 1 8 . 1 1 30 30 ASN C C 30 174.530 174.530 174.494 0.036 25484 3456 1 8 . 1 1 30 30 ASN CA C 30 51.930 51.930 51.916 0.014 25484 3457 1 8 . 1 1 30 30 ASN CB C 30 38.910 38.910 37.743 1.167 25484 3458 1 8 . 1 1 30 30 ASN H H 30 8.114 8.114 8.195 -0.081 25484 3459 1 8 . 1 1 31 31 CYS N N 31 123.270 123.270 121.920 1.350 25484 3460 1 8 . 1 1 31 31 CYS HA H 31 4.050 4.050 4.229 -0.179 25484 3461 1 8 . 1 1 31 31 CYS C C 31 177.170 177.170 174.126 3.044 25484 3462 1 8 . 1 1 31 31 CYS CA C 31 61.880 61.880 60.832 1.048 25484 3463 1 8 . 1 1 31 31 CYS CB C 31 30.010 30.010 29.069 0.941 25484 3464 1 8 . 1 1 31 31 CYS H H 31 7.210 7.210 7.437 -0.227 25484 3465 1 8 . 1 1 32 32 SER N N 32 124.300 124.300 121.705 2.595 25484 3466 1 8 . 1 1 32 32 SER HA H 32 4.609 4.609 4.584 0.025 25484 3467 1 8 . 1 1 32 32 SER C C 32 175.020 175.020 173.494 1.526 25484 3468 1 8 . 1 1 32 32 SER CA C 32 58.010 58.010 57.234 0.776 25484 3469 1 8 . 1 1 32 32 SER CB C 32 64.120 64.120 62.993 1.127 25484 3470 1 8 . 1 1 32 32 SER H H 32 8.767 8.767 8.317 0.450 25484 3471 1 8 . 1 1 33 33 LEU N N 33 128.860 128.860 126.282 2.578 25484 3472 1 8 . 1 1 33 33 LEU HA H 33 4.538 4.538 4.970 -0.432 25484 3473 1 8 . 1 1 33 33 LEU C C 33 177.230 177.230 174.825 2.405 25484 3474 1 8 . 1 1 33 33 LEU CA C 33 54.450 54.450 51.895 2.555 25484 3475 1 8 . 1 1 33 33 LEU CB C 33 40.970 40.970 43.474 -2.504 25484 3476 1 8 . 1 1 33 33 LEU H H 33 8.546 8.546 7.422 1.124 25484 3477 1 8 . 1 1 34 34 PRO HA H 34 4.370 4.370 4.512 -0.142 25484 3478 1 8 . 1 1 34 34 PRO C C 34 178.640 178.640 178.164 0.476 25484 3479 1 8 . 1 1 34 34 PRO CA C 34 65.530 65.530 65.597 -0.066 25484 3480 1 8 . 1 1 34 34 PRO CB C 34 31.970 31.970 31.831 0.139 25484 3481 1 8 . 1 1 35 35 SER N N 35 111.940 111.940 112.864 -0.924 25484 3482 1 8 . 1 1 35 35 SER HA H 35 4.127 4.127 4.384 -0.257 25484 3483 1 8 . 1 1 35 35 SER C C 35 174.750 174.750 176.259 -1.509 25484 3484 1 8 . 1 1 35 35 SER CA C 35 60.100 60.100 60.955 -0.855 25484 3485 1 8 . 1 1 35 35 SER CB C 35 62.910 62.910 62.598 0.312 25484 3486 1 8 . 1 1 35 35 SER H H 35 8.350 8.350 8.572 -0.222 25484 3487 1 8 . 1 1 36 36 CYS N N 36 125.790 125.790 123.667 2.123 25484 3488 1 8 . 1 1 36 36 CYS HA H 36 4.215 4.215 4.227 -0.012 25484 3489 1 8 . 1 1 36 36 CYS C C 36 177.070 177.070 176.247 0.823 25484 3490 1 8 . 1 1 36 36 CYS CA C 36 63.900 63.900 61.714 2.186 25484 3491 1 8 . 1 1 36 36 CYS CB C 36 29.650 29.650 27.049 2.601 25484 3492 1 8 . 1 1 36 36 CYS H H 36 7.490 7.490 8.062 -0.572 25484 3493 1 8 . 1 1 37 37 GLN N N 37 115.860 115.860 119.156 -3.296 25484 3494 1 8 . 1 1 37 37 GLN HA H 37 4.010 4.010 3.806 0.204 25484 3495 1 8 . 1 1 37 37 GLN C C 37 179.690 179.690 178.408 1.282 25484 3496 1 8 . 1 1 37 37 GLN CA C 37 59.980 59.980 59.203 0.777 25484 3497 1 8 . 1 1 37 37 GLN CB C 37 27.820 27.820 28.234 -0.414 25484 3498 1 8 . 1 1 37 37 GLN H H 37 8.170 8.170 8.673 -0.503 25484 3499 1 8 . 1 1 38 38 LYS N N 38 117.470 117.470 119.480 -2.010 25484 3500 1 8 . 1 1 38 38 LYS HA H 38 4.060 4.060 4.009 0.051 25484 3501 1 8 . 1 1 38 38 LYS C C 38 179.230 179.230 179.280 -0.050 25484 3502 1 8 . 1 1 38 38 LYS CA C 38 59.450 59.450 59.263 0.187 25484 3503 1 8 . 1 1 38 38 LYS CB C 38 32.650 32.650 32.244 0.406 25484 3504 1 8 . 1 1 38 38 LYS H H 38 7.920 7.920 8.022 -0.102 25484 3505 1 8 . 1 1 39 39 MET N N 39 118.050 118.050 118.176 -0.126 25484 3506 1 8 . 1 1 39 39 MET HA H 39 4.559 4.559 4.140 0.419 25484 3507 1 8 . 1 1 39 39 MET C C 39 179.720 179.720 178.484 1.236 25484 3508 1 8 . 1 1 39 39 MET CA C 39 57.250 57.250 58.386 -1.136 25484 3509 1 8 . 1 1 39 39 MET CB C 39 32.550 32.550 32.114 0.436 25484 3510 1 8 . 1 1 39 39 MET H H 39 8.370 8.370 7.670 0.700 25484 3511 1 8 . 1 1 40 40 LYS N N 40 121.630 121.630 120.393 1.237 25484 3512 1 8 . 1 1 40 40 LYS HA H 40 3.840 3.840 3.953 -0.113 25484 3513 1 8 . 1 1 40 40 LYS C C 40 180.150 180.150 179.170 0.980 25484 3514 1 8 . 1 1 40 40 LYS CA C 40 61.520 61.520 60.210 1.310 25484 3515 1 8 . 1 1 40 40 LYS CB C 40 32.620 32.620 32.266 0.354 25484 3516 1 8 . 1 1 40 40 LYS H H 40 9.490 9.490 8.616 0.874 25484 3517 1 8 . 1 1 41 41 ARG N N 41 118.300 118.300 117.303 0.997 25484 3518 1 8 . 1 1 41 41 ARG HA H 41 4.180 4.180 4.161 0.019 25484 3519 1 8 . 1 1 41 41 ARG C C 41 180.080 180.080 177.437 2.643 25484 3520 1 8 . 1 1 41 41 ARG CA C 41 59.750 59.750 58.463 1.287 25484 3521 1 8 . 1 1 41 41 ARG CB C 41 30.010 30.010 30.251 -0.241 25484 3522 1 8 . 1 1 41 41 ARG H H 41 7.610 7.610 7.894 -0.284 25484 3523 1 8 . 1 1 42 42 VAL N N 42 121.750 121.750 118.252 3.498 25484 3524 1 8 . 1 1 42 42 VAL HA H 42 3.745 3.745 3.978 -0.233 25484 3525 1 8 . 1 1 42 42 VAL C C 42 178.130 178.130 177.483 0.647 25484 3526 1 8 . 1 1 42 42 VAL CA C 42 66.760 66.760 64.649 2.111 25484 3527 1 8 . 1 1 42 42 VAL CB C 42 31.520 31.520 32.754 -1.234 25484 3528 1 8 . 1 1 42 42 VAL H H 42 7.760 7.760 7.734 0.026 25484 3529 1 8 . 1 1 43 43 VAL N N 43 120.580 120.580 121.945 -1.365 25484 3530 1 8 . 1 1 43 43 VAL HA H 43 3.531 3.531 3.505 0.026 25484 3531 1 8 . 1 1 43 43 VAL C C 43 179.310 179.310 178.244 1.066 25484 3532 1 8 . 1 1 43 43 VAL CA C 43 67.120 67.120 67.402 -0.282 25484 3533 1 8 . 1 1 43 43 VAL CB C 43 31.510 31.510 31.576 -0.066 25484 3534 1 8 . 1 1 43 43 VAL H H 43 8.500 8.500 8.556 -0.056 25484 3535 1 8 . 1 1 44 44 GLN N N 44 119.280 119.280 116.408 2.872 25484 3536 1 8 . 1 1 44 44 GLN HA H 44 4.010 4.010 4.072 -0.062 25484 3537 1 8 . 1 1 44 44 GLN C C 44 179.330 179.330 178.426 0.904 25484 3538 1 8 . 1 1 44 44 GLN CA C 44 59.060 59.060 58.630 0.430 25484 3539 1 8 . 1 1 44 44 GLN CB C 44 28.030 28.030 28.114 -0.084 25484 3540 1 8 . 1 1 44 44 GLN H H 44 8.400 8.400 8.606 -0.206 25484 3541 1 8 . 1 1 45 45 HIS N N 45 119.160 119.160 120.246 -1.086 25484 3542 1 8 . 1 1 45 45 HIS HA H 45 4.283 4.283 4.338 -0.055 25484 3543 1 8 . 1 1 45 45 HIS C C 45 178.250 178.250 177.213 1.037 25484 3544 1 8 . 1 1 45 45 HIS CA C 45 59.950 59.950 59.899 0.051 25484 3545 1 8 . 1 1 45 45 HIS CB C 45 27.150 27.150 29.934 -2.784 25484 3546 1 8 . 1 1 45 45 HIS H H 45 8.190 8.190 8.107 0.083 25484 3547 1 8 . 1 1 46 46 THR N N 46 111.110 111.110 116.217 -5.107 25484 3548 1 8 . 1 1 46 46 THR HA H 46 3.859 3.859 4.008 -0.149 25484 3549 1 8 . 1 1 46 46 THR C C 46 176.350 176.350 177.246 -0.896 25484 3550 1 8 . 1 1 46 46 THR CA C 46 65.670 65.670 66.501 -0.831 25484 3551 1 8 . 1 1 46 46 THR CB C 46 69.190 69.190 68.966 0.224 25484 3552 1 8 . 1 1 46 46 THR H H 46 7.980 7.980 8.490 -0.510 25484 3553 1 8 . 1 1 47 47 LYS N N 47 120.510 120.510 119.965 0.545 25484 3554 1 8 . 1 1 47 47 LYS HA H 47 4.090 4.090 4.280 -0.190 25484 3555 1 8 . 1 1 47 47 LYS C C 47 178.150 178.150 179.242 -1.092 25484 3556 1 8 . 1 1 47 47 LYS CA C 47 58.750 58.750 58.606 0.144 25484 3557 1 8 . 1 1 47 47 LYS CB C 47 32.360 32.360 32.464 -0.104 25484 3558 1 8 . 1 1 47 47 LYS H H 47 7.410 7.410 7.734 -0.324 25484 3559 1 8 . 1 1 48 48 GLY N N 48 104.210 104.210 106.820 -2.610 25484 3560 1 8 . 1 1 48 48 GLY C C 48 174.220 174.220 174.371 -0.151 25484 3561 1 8 . 1 1 48 48 GLY CA C 48 44.753 44.753 44.974 -0.221 25484 3562 1 8 . 1 1 48 48 GLY H H 48 7.180 7.180 7.917 -0.737 25484 3563 1 8 . 1 1 49 49 CYS N N 49 123.560 123.560 119.961 3.599 25484 3564 1 8 . 1 1 49 49 CYS HA H 49 4.010 4.010 4.378 -0.368 25484 3565 1 8 . 1 1 49 49 CYS C C 49 177.230 177.230 173.652 3.578 25484 3566 1 8 . 1 1 49 49 CYS CA C 49 61.230 61.230 59.202 2.028 25484 3567 1 8 . 1 1 49 49 CYS CB C 49 29.850 29.850 30.056 -0.206 25484 3568 1 8 . 1 1 49 49 CYS H H 49 6.981 6.981 7.618 -0.637 25484 3569 1 8 . 1 1 50 50 LYS N N 50 128.350 128.350 121.209 7.141 25484 3570 1 8 . 1 1 50 50 LYS HA H 50 4.524 4.524 4.410 0.114 25484 3571 1 8 . 1 1 50 50 LYS C C 50 178.040 178.040 177.022 1.018 25484 3572 1 8 . 1 1 50 50 LYS CA C 50 56.750 56.750 56.391 0.359 25484 3573 1 8 . 1 1 50 50 LYS CB C 50 32.950 32.950 32.984 -0.035 25484 3574 1 8 . 1 1 50 50 LYS H H 50 8.999 8.999 8.739 0.260 25484 3575 1 8 . 1 1 51 51 ARG N N 51 122.550 122.550 119.509 3.041 25484 3576 1 8 . 1 1 51 51 ARG HA H 51 4.428 4.428 4.178 0.250 25484 3577 1 8 . 1 1 51 51 ARG C C 51 177.410 177.410 177.772 -0.362 25484 3578 1 8 . 1 1 51 51 ARG CA C 51 57.750 57.750 57.230 0.520 25484 3579 1 8 . 1 1 51 51 ARG CB C 51 31.860 31.860 28.831 3.029 25484 3580 1 8 . 1 1 51 51 ARG H H 51 8.558 8.558 8.432 0.126 25484 3581 1 8 . 1 1 52 52 LYS N N 52 119.040 119.040 120.065 -1.025 25484 3582 1 8 . 1 1 52 52 LYS HA H 52 4.534 4.534 4.031 0.503 25484 3583 1 8 . 1 1 52 52 LYS C C 52 177.610 177.610 178.723 -1.113 25484 3584 1 8 . 1 1 52 52 LYS CA C 52 57.970 57.970 59.991 -2.021 25484 3585 1 8 . 1 1 52 52 LYS CB C 52 32.350 32.350 31.841 0.508 25484 3586 1 8 . 1 1 52 52 LYS H H 52 8.490 8.490 8.282 0.208 25484 3587 1 8 . 1 1 53 53 THR N N 53 113.034 113.034 107.570 5.464 25484 3588 1 8 . 1 1 53 53 THR HA H 53 4.160 4.160 4.257 -0.097 25484 3589 1 8 . 1 1 53 53 THR C C 53 175.610 175.610 175.915 -0.305 25484 3590 1 8 . 1 1 53 53 THR CA C 53 64.050 64.050 64.137 -0.087 25484 3591 1 8 . 1 1 53 53 THR CB C 53 69.120 69.120 68.572 0.548 25484 3592 1 8 . 1 1 53 53 THR H H 53 7.760 7.760 8.090 -0.330 25484 3593 1 8 . 1 1 54 54 ASN N N 54 119.860 119.860 119.324 0.536 25484 3594 1 8 . 1 1 54 54 ASN HA H 54 4.920 4.920 4.587 0.333 25484 3595 1 8 . 1 1 54 54 ASN C C 54 176.330 176.330 176.271 0.059 25484 3596 1 8 . 1 1 54 54 ASN CA C 54 53.720 53.720 54.807 -1.087 25484 3597 1 8 . 1 1 54 54 ASN CB C 54 38.350 38.350 38.848 -0.498 25484 3598 1 8 . 1 1 54 54 ASN H H 54 8.290 8.290 7.816 0.474 25484 3599 1 8 . 1 1 55 55 GLY N N 55 107.570 107.570 105.164 2.406 25484 3600 1 8 . 1 1 55 55 GLY C C 55 175.660 175.660 174.730 0.930 25484 3601 1 8 . 1 1 55 55 GLY CA C 55 45.938 45.938 44.957 0.981 25484 3602 1 8 . 1 1 55 55 GLY H H 55 8.006 8.006 7.600 0.406 25484 3603 1 8 . 1 1 56 56 GLY N N 56 107.290 107.290 107.921 -0.631 25484 3604 1 8 . 1 1 56 56 GLY C C 56 173.710 173.710 173.556 0.154 25484 3605 1 8 . 1 1 56 56 GLY CA C 56 45.570 45.570 45.231 0.339 25484 3606 1 8 . 1 1 56 56 GLY H H 56 7.840 7.840 8.014 -0.174 25484 3607 1 8 . 1 1 57 57 CYS N N 57 122.730 122.730 122.204 0.526 25484 3608 1 8 . 1 1 57 57 CYS HA H 57 4.505 4.505 4.915 -0.410 25484 3609 1 8 . 1 1 57 57 CYS C C 57 175.090 175.090 173.580 1.510 25484 3610 1 8 . 1 1 57 57 CYS CA C 57 55.950 55.950 55.692 0.258 25484 3611 1 8 . 1 1 57 57 CYS CB C 57 30.760 30.760 28.019 2.741 25484 3612 1 8 . 1 1 57 57 CYS H H 57 8.048 8.048 8.074 -0.026 25484 3613 1 8 . 1 1 58 58 PRO HA H 58 4.338 4.338 4.727 -0.389 25484 3614 1 8 . 1 1 58 58 PRO CA C 58 65.050 65.050 62.922 2.127 25484 3615 1 8 . 1 1 58 58 PRO CB C 58 32.620 32.620 30.382 2.238 25484 3616 1 8 . 1 1 59 59 ILE N N 59 121.256 121.256 123.069 -1.813 25484 3617 1 8 . 1 1 59 59 ILE HA H 59 3.818 3.818 4.189 -0.371 25484 3618 1 8 . 1 1 59 59 ILE C C 59 178.820 178.820 176.182 2.638 25484 3619 1 8 . 1 1 59 59 ILE CA C 59 64.590 64.590 63.037 1.553 25484 3620 1 8 . 1 1 59 59 ILE CB C 59 38.890 38.890 39.291 -0.401 25484 3621 1 8 . 1 1 59 59 ILE H H 59 7.900 7.900 8.871 -0.971 25484 3622 1 8 . 1 1 60 60 CYS N N 60 123.970 123.970 119.295 4.675 25484 3623 1 8 . 1 1 60 60 CYS HA H 60 4.117 4.117 4.200 -0.083 25484 3624 1 8 . 1 1 60 60 CYS C C 60 178.110 178.110 177.171 0.939 25484 3625 1 8 . 1 1 60 60 CYS CA C 60 66.090 66.090 62.623 3.467 25484 3626 1 8 . 1 1 60 60 CYS CB C 60 29.150 29.150 27.040 2.110 25484 3627 1 8 . 1 1 60 60 CYS H H 60 8.914 8.914 8.312 0.602 25484 3628 1 8 . 1 1 61 61 LYS N N 61 117.210 117.210 120.343 -3.133 25484 3629 1 8 . 1 1 61 61 LYS HA H 61 3.910 3.910 4.050 -0.140 25484 3630 1 8 . 1 1 61 61 LYS C C 61 179.460 179.460 178.135 1.325 25484 3631 1 8 . 1 1 61 61 LYS CA C 61 59.970 59.970 59.545 0.425 25484 3632 1 8 . 1 1 61 61 LYS CB C 61 32.650 32.650 32.432 0.218 25484 3633 1 8 . 1 1 61 61 LYS H H 61 8.090 8.090 8.295 -0.205 25484 3634 1 8 . 1 1 62 62 GLN N N 62 117.780 117.780 119.114 -1.334 25484 3635 1 8 . 1 1 62 62 GLN HA H 62 4.203 4.203 4.164 0.039 25484 3636 1 8 . 1 1 62 62 GLN C C 62 178.564 178.564 178.661 -0.097 25484 3637 1 8 . 1 1 62 62 GLN CA C 62 58.450 58.450 58.155 0.295 25484 3638 1 8 . 1 1 62 62 GLN CB C 62 29.140 29.140 28.918 0.222 25484 3639 1 8 . 1 1 62 62 GLN H H 62 7.360 7.360 7.562 -0.202 25484 3640 1 8 . 1 1 63 63 LEU N N 63 119.930 119.930 123.651 -3.721 25484 3641 1 8 . 1 1 63 63 LEU HA H 63 4.218 4.218 4.101 0.117 25484 3642 1 8 . 1 1 63 63 LEU C C 63 179.440 179.440 177.770 1.670 25484 3643 1 8 . 1 1 63 63 LEU CA C 63 58.550 58.550 57.705 0.845 25484 3644 1 8 . 1 1 63 63 LEU CB C 63 41.910 41.910 41.756 0.154 25484 3645 1 8 . 1 1 63 63 LEU H H 63 8.075 8.075 8.787 -0.712 25484 3646 1 8 . 1 1 64 64 ILE N N 64 120.280 120.280 119.929 0.351 25484 3647 1 8 . 1 1 64 64 ILE HA H 64 3.600 3.600 3.794 -0.194 25484 3648 1 8 . 1 1 64 64 ILE C C 64 177.950 177.950 177.960 -0.010 25484 3649 1 8 . 1 1 64 64 ILE CA C 64 65.250 65.250 65.557 -0.307 25484 3650 1 8 . 1 1 64 64 ILE CB C 64 37.320 37.320 37.423 -0.103 25484 3651 1 8 . 1 1 64 64 ILE H H 64 8.466 8.466 8.650 -0.184 25484 3652 1 8 . 1 1 65 65 ALA N N 65 122.590 122.590 122.224 0.366 25484 3653 1 8 . 1 1 65 65 ALA HA H 65 4.185 4.185 3.312 0.873 25484 3654 1 8 . 1 1 65 65 ALA C C 65 181.010 181.010 179.057 1.953 25484 3655 1 8 . 1 1 65 65 ALA CA C 65 55.220 55.220 55.111 0.109 25484 3656 1 8 . 1 1 65 65 ALA CB C 65 18.450 18.450 18.054 0.396 25484 3657 1 8 . 1 1 65 65 ALA H H 65 7.496 7.496 8.139 -0.643 25484 3658 1 8 . 1 1 66 66 LEU N N 66 115.599 115.599 120.540 -4.941 25484 3659 1 8 . 1 1 66 66 LEU HA H 66 4.100 4.100 3.984 0.116 25484 3660 1 8 . 1 1 66 66 LEU C C 66 179.380 179.380 179.138 0.242 25484 3661 1 8 . 1 1 66 66 LEU CA C 66 57.930 57.930 57.853 0.077 25484 3662 1 8 . 1 1 66 66 LEU CB C 66 41.410 41.410 41.578 -0.168 25484 3663 1 8 . 1 1 66 66 LEU H H 66 8.139 8.139 8.135 0.004 25484 3664 1 8 . 1 1 67 67 ALA N N 67 122.670 122.670 120.443 2.227 25484 3665 1 8 . 1 1 67 67 ALA HA H 67 3.958 3.958 4.036 -0.078 25484 3666 1 8 . 1 1 67 67 ALA C C 67 180.060 180.060 179.580 0.480 25484 3667 1 8 . 1 1 67 67 ALA CA C 67 55.750 55.750 55.205 0.545 25484 3668 1 8 . 1 1 67 67 ALA CB C 67 19.220 19.220 18.219 1.001 25484 3669 1 8 . 1 1 67 67 ALA H H 67 8.770 8.770 8.964 -0.194 25484 3670 1 8 . 1 1 68 68 ALA N N 68 120.580 120.580 121.804 -1.224 25484 3671 1 8 . 1 1 68 68 ALA HA H 68 4.142 4.142 3.999 0.143 25484 3672 1 8 . 1 1 68 68 ALA C C 68 179.540 179.540 179.571 -0.031 25484 3673 1 8 . 1 1 68 68 ALA CA C 68 55.450 55.450 54.921 0.529 25484 3674 1 8 . 1 1 68 68 ALA CB C 68 18.220 18.220 18.637 -0.417 25484 3675 1 8 . 1 1 68 68 ALA H H 68 8.604 8.604 8.517 0.087 25484 3676 1 8 . 1 1 69 69 TYR HA H 69 4.345 4.345 4.399 -0.054 25484 3677 1 8 . 1 1 69 69 TYR CA C 69 57.750 57.750 58.644 -0.894 25484 3678 1 8 . 1 1 69 69 TYR CB C 69 38.580 38.580 37.275 1.305 25484 3679 1 8 . 1 1 71 71 ALA HA H 71 4.000 4.000 3.914 0.086 25484 3680 1 8 . 1 1 71 71 ALA C C 71 179.540 179.540 180.120 -0.580 25484 3681 1 8 . 1 1 71 71 ALA CA C 71 54.850 54.850 55.129 -0.279 25484 3682 1 8 . 1 1 71 71 ALA CB C 71 19.650 19.650 18.052 1.597 25484 3683 1 8 . 1 1 72 72 LYS N N 72 114.680 114.680 115.768 -1.088 25484 3684 1 8 . 1 1 72 72 LYS HA H 72 3.904 3.904 4.051 -0.147 25484 3685 1 8 . 1 1 72 72 LYS C C 72 177.120 177.120 177.609 -0.489 25484 3686 1 8 . 1 1 72 72 LYS CA C 72 58.230 58.230 58.964 -0.734 25484 3687 1 8 . 1 1 72 72 LYS CB C 72 32.340 32.340 32.574 -0.234 25484 3688 1 8 . 1 1 72 72 LYS H H 72 7.080 7.080 8.162 -1.082 25484 3689 1 8 . 1 1 73 73 HIS N N 73 113.498 113.498 114.606 -1.108 25484 3690 1 8 . 1 1 73 73 HIS HA H 73 4.826 4.826 4.724 0.102 25484 3691 1 8 . 1 1 73 73 HIS C C 73 173.660 173.660 174.198 -0.538 25484 3692 1 8 . 1 1 73 73 HIS CA C 73 54.380 54.380 55.095 -0.715 25484 3693 1 8 . 1 1 73 73 HIS CB C 73 30.350 30.350 31.679 -1.329 25484 3694 1 8 . 1 1 73 73 HIS H H 73 7.250 7.250 7.958 -0.708 25484 3695 1 8 . 1 1 74 74 CYS N N 74 123.830 123.830 121.250 2.580 25484 3696 1 8 . 1 1 74 74 CYS HA H 74 4.150 4.150 4.157 -0.007 25484 3697 1 8 . 1 1 74 74 CYS C C 74 176.480 176.480 174.085 2.395 25484 3698 1 8 . 1 1 74 74 CYS CA C 74 60.250 60.250 57.652 2.598 25484 3699 1 8 . 1 1 74 74 CYS CB C 74 29.930 29.930 27.639 2.291 25484 3700 1 8 . 1 1 74 74 CYS H H 74 7.140 7.140 7.381 -0.241 25484 3701 1 8 . 1 1 75 75 GLN N N 75 128.740 128.740 127.786 0.954 25484 3702 1 8 . 1 1 75 75 GLN HA H 75 4.685 4.685 4.351 0.334 25484 3703 1 8 . 1 1 75 75 GLN C C 75 176.090 176.090 175.049 1.041 25484 3704 1 8 . 1 1 75 75 GLN CA C 75 54.900 54.900 55.185 -0.285 25484 3705 1 8 . 1 1 75 75 GLN CB C 75 29.840 29.840 27.475 2.365 25484 3706 1 8 . 1 1 75 75 GLN H H 75 9.088 9.088 8.599 0.489 25484 3707 1 8 . 1 1 76 76 GLU N N 76 123.190 123.190 123.047 0.143 25484 3708 1 8 . 1 1 76 76 GLU HA H 76 4.480 4.480 4.464 0.016 25484 3709 1 8 . 1 1 76 76 GLU C C 76 177.030 177.030 174.608 2.422 25484 3710 1 8 . 1 1 76 76 GLU CA C 76 56.210 56.210 56.098 0.112 25484 3711 1 8 . 1 1 76 76 GLU CB C 76 30.660 30.660 32.077 -1.417 25484 3712 1 8 . 1 1 76 76 GLU H H 76 8.390 8.390 7.898 0.492 25484 3713 1 8 . 1 1 77 77 ASN N N 77 124.760 124.760 120.503 4.257 25484 3714 1 8 . 1 1 77 77 ASN HA H 77 4.549 4.549 4.782 -0.233 25484 3715 1 8 . 1 1 77 77 ASN C C 77 176.070 176.070 174.916 1.154 25484 3716 1 8 . 1 1 77 77 ASN CA C 77 55.100 55.100 53.096 2.004 25484 3717 1 8 . 1 1 77 77 ASN CB C 77 38.650 38.650 39.512 -0.862 25484 3718 1 8 . 1 1 77 77 ASN H H 77 8.848 8.848 8.581 0.267 25484 3719 1 8 . 1 1 78 78 LYS N N 78 120.810 120.810 121.460 -0.650 25484 3720 1 8 . 1 1 78 78 LYS HA H 78 4.460 4.460 4.233 0.227 25484 3721 1 8 . 1 1 78 78 LYS C C 78 175.230 175.230 175.988 -0.758 25484 3722 1 8 . 1 1 78 78 LYS CA C 78 54.920 54.920 56.392 -1.472 25484 3723 1 8 . 1 1 78 78 LYS CB C 78 31.020 31.020 33.477 -2.457 25484 3724 1 8 . 1 1 78 78 LYS H H 78 8.636 8.636 7.823 0.813 25484 3725 1 8 . 1 1 80 80 PRO HA H 80 4.710 4.710 4.531 0.179 25484 3726 1 8 . 1 1 80 80 PRO CA C 80 62.850 62.850 63.204 -0.354 25484 3727 1 8 . 1 1 80 80 PRO CB C 80 32.150 32.150 32.997 -0.847 25484 3728 1 8 . 1 1 81 81 VAL HA H 81 3.578 3.578 4.392 -0.814 25484 3729 1 8 . 1 1 81 81 VAL CA C 81 62.350 62.350 57.986 4.364 25484 3730 1 8 . 1 1 81 81 VAL CB C 81 31.616 31.616 32.246 -0.630 25484 3731 1 8 . 1 1 82 82 PRO HA H 82 4.850 4.850 3.958 0.892 25484 3732 1 8 . 1 1 82 82 PRO CA C 82 63.350 63.350 62.421 0.929 25484 3733 1 8 . 1 1 82 82 PRO CB C 82 32.050 32.050 32.160 -0.110 25484 3734 1 8 . 1 1 83 83 PHE HA H 83 4.160 4.160 4.178 -0.018 25484 3735 1 8 . 1 1 83 83 PHE CA C 83 58.950 58.950 59.079 -0.129 25484 3736 1 8 . 1 1 83 83 PHE CB C 83 38.250 38.250 36.085 2.165 25484 3737 1 8 . 1 1 84 84 CYS HA H 84 4.597 4.597 4.855 -0.258 25484 3738 1 8 . 1 1 84 84 CYS CA C 84 56.750 56.750 55.779 0.971 25484 3739 1 8 . 1 1 84 84 CYS CB C 84 30.150 30.150 30.198 -0.048 25484 3740 1 8 . 1 1 85 85 LEU N N 85 119.930 119.930 120.541 -0.611 25484 3741 1 8 . 1 1 85 85 LEU HA H 85 3.958 3.958 4.005 -0.047 25484 3742 1 8 . 1 1 85 85 LEU CA C 85 59.350 59.350 57.494 1.856 25484 3743 1 8 . 1 1 85 85 LEU CB C 85 38.180 38.180 39.794 -1.614 25484 3744 1 8 . 1 1 85 85 LEU H H 85 8.220 8.220 8.347 -0.127 25484 3745 1 8 . 1 1 86 86 ASN N N 86 115.750 115.750 116.110 -0.360 25484 3746 1 8 . 1 1 86 86 ASN HA H 86 4.580 4.580 4.592 -0.012 25484 3747 1 8 . 1 1 86 86 ASN CA C 86 51.860 51.860 54.821 -2.961 25484 3748 1 8 . 1 1 86 86 ASN CB C 86 38.610 38.610 39.178 -0.568 25484 3749 1 8 . 1 1 86 86 ASN H H 86 7.789 7.789 7.989 -0.200 25484 3750 1 8 . 1 1 87 87 ILE N N 87 123.260 123.260 119.368 3.892 25484 3751 1 8 . 1 1 87 87 ILE HA H 87 4.220 4.220 3.961 0.259 25484 3752 1 8 . 1 1 87 87 ILE CA C 87 61.850 61.850 62.297 -0.447 25484 3753 1 8 . 1 1 87 87 ILE CB C 87 41.330 41.330 38.411 2.919 25484 3754 1 8 . 1 1 87 87 ILE H H 87 7.160 7.160 8.304 -1.144 25484 3755 1 8 . 1 1 88 88 LYS HA H 88 4.450 4.450 4.384 0.066 25484 3756 1 8 . 1 1 88 88 LYS CA C 88 54.530 54.530 55.728 -1.198 25484 3757 1 8 . 1 1 88 88 LYS CB C 88 31.450 31.450 30.956 0.494 25484 3758 1 8 . 1 1 89 89 GLN HA H 89 4.450 4.450 4.514 -0.064 25484 3759 1 8 . 1 1 89 89 GLN CA C 89 56.210 56.210 54.711 1.499 25484 3760 1 8 . 1 1 89 89 GLN CB C 89 29.250 29.250 28.886 0.364 25484 3761 1 9 . 1 1 2 2 THR HA H 2 4.415 4.415 4.301 0.114 25484 3762 1 9 . 1 1 2 2 THR C C 2 174.580 174.580 174.683 -0.103 25484 3763 1 9 . 1 1 2 2 THR CA C 2 62.450 62.450 62.916 -0.466 25484 3764 1 9 . 1 1 2 2 THR CB C 2 70.050 70.050 69.278 0.772 25484 3765 1 9 . 1 1 3 3 GLN N N 3 123.423 123.423 118.295 5.128 25484 3766 1 9 . 1 1 3 3 GLN HA H 3 4.480 4.480 4.571 -0.091 25484 3767 1 9 . 1 1 3 3 GLN C C 3 176.040 176.040 173.934 2.106 25484 3768 1 9 . 1 1 3 3 GLN CA C 3 55.950 55.950 54.659 1.291 25484 3769 1 9 . 1 1 3 3 GLN CB C 3 30.550 30.550 32.824 -2.274 25484 3770 1 9 . 1 1 3 3 GLN H H 3 8.536 8.536 7.788 0.748 25484 3771 1 9 . 1 1 4 4 SER N N 4 119.390 119.390 115.837 3.553 25484 3772 1 9 . 1 1 4 4 SER HA H 4 4.834 4.834 4.959 -0.125 25484 3773 1 9 . 1 1 4 4 SER C C 4 173.640 173.640 173.016 0.624 25484 3774 1 9 . 1 1 4 4 SER CA C 4 56.250 56.250 56.306 -0.056 25484 3775 1 9 . 1 1 4 4 SER CB C 4 63.400 63.400 63.515 -0.115 25484 3776 1 9 . 1 1 4 4 SER H H 4 8.150 8.150 8.425 -0.275 25484 3777 1 9 . 1 1 5 5 PRO HA H 5 4.480 4.480 4.355 0.125 25484 3778 1 9 . 1 1 5 5 PRO C C 5 178.180 178.180 176.172 2.008 25484 3779 1 9 . 1 1 5 5 PRO CA C 5 64.040 64.040 64.026 0.014 25484 3780 1 9 . 1 1 5 5 PRO CB C 5 32.120 32.120 32.065 0.055 25484 3781 1 9 . 1 1 6 6 GLY N N 6 108.600 108.600 105.892 2.708 25484 3782 1 9 . 1 1 6 6 GLY C C 6 174.930 174.930 174.284 0.646 25484 3783 1 9 . 1 1 6 6 GLY CA C 6 45.750 45.750 44.586 1.164 25484 3784 1 9 . 1 1 6 6 GLY H H 6 8.470 8.470 7.572 0.898 25484 3785 1 9 . 1 1 7 7 ASP N N 7 121.260 121.260 122.752 -1.492 25484 3786 1 9 . 1 1 7 7 ASP HA H 7 4.660 4.660 4.381 0.279 25484 3787 1 9 . 1 1 7 7 ASP C C 7 177.580 177.580 177.636 -0.056 25484 3788 1 9 . 1 1 7 7 ASP CA C 7 55.200 55.200 57.300 -2.100 25484 3789 1 9 . 1 1 7 7 ASP CB C 7 41.400 41.400 40.777 0.623 25484 3790 1 9 . 1 1 7 7 ASP H H 7 8.130 8.130 8.768 -0.638 25484 3791 1 9 . 1 1 8 8 SER N N 8 116.818 116.818 113.598 3.220 25484 3792 1 9 . 1 1 8 8 SER HA H 8 4.340 4.340 4.110 0.230 25484 3793 1 9 . 1 1 8 8 SER C C 8 176.310 176.310 176.506 -0.196 25484 3794 1 9 . 1 1 8 8 SER CA C 8 60.050 60.050 61.561 -1.511 25484 3795 1 9 . 1 1 8 8 SER CB C 8 63.190 63.190 62.708 0.482 25484 3796 1 9 . 1 1 8 8 SER H H 8 8.372 8.372 8.488 -0.116 25484 3797 1 9 . 1 1 9 9 ARG N N 9 123.150 123.150 122.196 0.954 25484 3798 1 9 . 1 1 9 9 ARG HA H 9 4.260 4.260 4.042 0.218 25484 3799 1 9 . 1 1 9 9 ARG C C 9 177.710 177.710 178.239 -0.529 25484 3800 1 9 . 1 1 9 9 ARG CA C 9 58.050 58.050 58.601 -0.551 25484 3801 1 9 . 1 1 9 9 ARG CB C 9 30.350 30.350 29.764 0.586 25484 3802 1 9 . 1 1 9 9 ARG H H 9 8.308 8.308 7.633 0.675 25484 3803 1 9 . 1 1 10 10 ARG N N 10 119.940 119.940 119.619 0.321 25484 3804 1 9 . 1 1 10 10 ARG HA H 10 4.110 4.110 3.983 0.127 25484 3805 1 9 . 1 1 10 10 ARG C C 10 178.180 178.180 178.789 -0.609 25484 3806 1 9 . 1 1 10 10 ARG CA C 10 58.420 58.420 59.513 -1.093 25484 3807 1 9 . 1 1 10 10 ARG CB C 10 30.260 30.260 30.050 0.209 25484 3808 1 9 . 1 1 10 10 ARG H H 10 8.075 8.075 7.693 0.382 25484 3809 1 9 . 1 1 11 11 LEU N N 11 121.060 121.060 120.040 1.020 25484 3810 1 9 . 1 1 11 11 LEU HA H 11 4.225 4.225 3.881 0.344 25484 3811 1 9 . 1 1 11 11 LEU C C 11 179.950 179.950 179.074 0.876 25484 3812 1 9 . 1 1 11 11 LEU CA C 11 57.450 57.450 58.296 -0.846 25484 3813 1 9 . 1 1 11 11 LEU CB C 11 41.910 41.910 41.518 0.392 25484 3814 1 9 . 1 1 11 11 LEU H H 11 8.160 8.160 8.723 -0.563 25484 3815 1 9 . 1 1 12 12 SER N N 12 116.470 116.470 114.306 2.164 25484 3816 1 9 . 1 1 12 12 SER HA H 12 4.317 4.317 4.194 0.123 25484 3817 1 9 . 1 1 12 12 SER C C 12 176.960 176.960 176.522 0.438 25484 3818 1 9 . 1 1 12 12 SER CA C 12 60.760 60.760 61.866 -1.106 25484 3819 1 9 . 1 1 12 12 SER CB C 12 63.350 63.350 62.921 0.429 25484 3820 1 9 . 1 1 12 12 SER H H 12 8.179 8.179 8.299 -0.120 25484 3821 1 9 . 1 1 13 13 ILE N N 13 123.740 123.740 120.274 3.466 25484 3822 1 9 . 1 1 13 13 ILE HA H 13 3.690 3.690 3.741 -0.051 25484 3823 1 9 . 1 1 13 13 ILE C C 13 177.660 177.660 177.583 0.077 25484 3824 1 9 . 1 1 13 13 ILE CA C 13 64.930 64.930 63.924 1.006 25484 3825 1 9 . 1 1 13 13 ILE CB C 13 37.650 37.650 37.139 0.511 25484 3826 1 9 . 1 1 13 13 ILE H H 13 8.130 8.130 7.548 0.582 25484 3827 1 9 . 1 1 14 14 GLN N N 14 119.220 119.220 121.105 -1.885 25484 3828 1 9 . 1 1 14 14 GLN HA H 14 4.040 4.040 3.832 0.208 25484 3829 1 9 . 1 1 14 14 GLN C C 14 179.490 179.490 178.764 0.726 25484 3830 1 9 . 1 1 14 14 GLN CA C 14 59.750 59.750 59.946 -0.196 25484 3831 1 9 . 1 1 14 14 GLN CB C 14 27.730 27.730 28.383 -0.653 25484 3832 1 9 . 1 1 14 14 GLN H H 14 8.113 8.113 8.945 -0.832 25484 3833 1 9 . 1 1 15 15 ARG N N 15 119.160 119.160 118.139 1.021 25484 3834 1 9 . 1 1 15 15 ARG HA H 15 4.150 4.150 4.059 0.091 25484 3835 1 9 . 1 1 15 15 ARG C C 15 179.460 179.460 178.281 1.179 25484 3836 1 9 . 1 1 15 15 ARG CA C 15 59.150 59.150 59.204 -0.054 25484 3837 1 9 . 1 1 15 15 ARG CB C 15 30.090 30.090 29.968 0.122 25484 3838 1 9 . 1 1 15 15 ARG H H 15 8.200 8.200 8.485 -0.285 25484 3839 1 9 . 1 1 16 16 ALA N N 16 124.140 124.140 124.239 -0.099 25484 3840 1 9 . 1 1 16 16 ALA HA H 16 3.990 3.990 4.149 -0.159 25484 3841 1 9 . 1 1 16 16 ALA C C 16 180.230 180.230 179.827 0.403 25484 3842 1 9 . 1 1 16 16 ALA CA C 16 55.550 55.550 54.910 0.640 25484 3843 1 9 . 1 1 16 16 ALA CB C 16 18.750 18.750 18.491 0.259 25484 3844 1 9 . 1 1 16 16 ALA H H 16 8.071 8.071 7.509 0.562 25484 3845 1 9 . 1 1 17 17 ILE N N 17 118.180 118.180 119.875 -1.695 25484 3846 1 9 . 1 1 17 17 ILE HA H 17 3.712 3.712 3.401 0.311 25484 3847 1 9 . 1 1 17 17 ILE C C 17 178.210 178.210 177.841 0.369 25484 3848 1 9 . 1 1 17 17 ILE CA C 17 64.870 64.870 66.088 -1.218 25484 3849 1 9 . 1 1 17 17 ILE CB C 17 37.640 37.640 37.735 -0.095 25484 3850 1 9 . 1 1 17 17 ILE H H 17 8.534 8.534 8.778 -0.244 25484 3851 1 9 . 1 1 18 18 GLN N N 18 118.960 118.960 118.931 0.029 25484 3852 1 9 . 1 1 18 18 GLN HA H 18 4.134 4.134 3.854 0.280 25484 3853 1 9 . 1 1 18 18 GLN C C 18 180.050 180.050 178.750 1.300 25484 3854 1 9 . 1 1 18 18 GLN CA C 18 59.340 59.340 59.564 -0.224 25484 3855 1 9 . 1 1 18 18 GLN CB C 18 28.030 28.030 28.500 -0.470 25484 3856 1 9 . 1 1 18 18 GLN H H 18 8.200 8.200 8.805 -0.605 25484 3857 1 9 . 1 1 19 19 SER N N 19 116.320 116.320 116.484 -0.164 25484 3858 1 9 . 1 1 19 19 SER HA H 19 4.388 4.388 4.167 0.221 25484 3859 1 9 . 1 1 19 19 SER C C 19 176.460 176.460 176.305 0.155 25484 3860 1 9 . 1 1 19 19 SER CA C 19 62.250 62.250 62.556 -0.306 25484 3861 1 9 . 1 1 19 19 SER CB C 19 63.270 63.270 63.067 0.203 25484 3862 1 9 . 1 1 19 19 SER H H 19 8.190 8.190 8.359 -0.169 25484 3863 1 9 . 1 1 20 20 LEU N N 20 125.540 125.540 124.238 1.302 25484 3864 1 9 . 1 1 20 20 LEU HA H 20 4.075 4.075 3.999 0.076 25484 3865 1 9 . 1 1 20 20 LEU C C 20 177.640 177.640 178.483 -0.843 25484 3866 1 9 . 1 1 20 20 LEU CA C 20 58.750 58.750 58.488 0.262 25484 3867 1 9 . 1 1 20 20 LEU CB C 20 42.390 42.390 41.925 0.465 25484 3868 1 9 . 1 1 20 20 LEU H H 20 8.290 8.290 8.257 0.033 25484 3869 1 9 . 1 1 21 21 VAL N N 21 118.690 118.690 118.303 0.387 25484 3870 1 9 . 1 1 21 21 VAL HA H 21 3.356 3.356 3.542 -0.186 25484 3871 1 9 . 1 1 21 21 VAL C C 21 178.770 178.770 178.011 0.759 25484 3872 1 9 . 1 1 21 21 VAL CA C 21 66.850 66.850 67.161 -0.311 25484 3873 1 9 . 1 1 21 21 VAL CB C 21 31.450 31.450 31.285 0.165 25484 3874 1 9 . 1 1 21 21 VAL H H 21 8.532 8.532 8.937 -0.405 25484 3875 1 9 . 1 1 22 22 HIS N N 22 116.230 116.230 119.771 -3.541 25484 3876 1 9 . 1 1 22 22 HIS HA H 22 4.230 4.230 4.253 -0.023 25484 3877 1 9 . 1 1 22 22 HIS C C 22 178.420 178.420 176.910 1.510 25484 3878 1 9 . 1 1 22 22 HIS CA C 22 59.980 59.980 60.180 -0.200 25484 3879 1 9 . 1 1 22 22 HIS CB C 22 27.830 27.830 29.940 -2.110 25484 3880 1 9 . 1 1 22 22 HIS H H 22 7.980 7.980 8.087 -0.107 25484 3881 1 9 . 1 1 23 23 ALA N N 23 121.520 121.520 120.690 0.830 25484 3882 1 9 . 1 1 23 23 ALA HA H 23 4.225 4.225 4.256 -0.031 25484 3883 1 9 . 1 1 23 23 ALA C C 23 179.540 179.540 179.361 0.179 25484 3884 1 9 . 1 1 23 23 ALA CA C 23 55.250 55.250 54.465 0.785 25484 3885 1 9 . 1 1 23 23 ALA CB C 23 19.550 19.550 18.341 1.209 25484 3886 1 9 . 1 1 23 23 ALA H H 23 8.640 8.640 8.668 -0.028 25484 3887 1 9 . 1 1 24 24 ALA N N 24 116.860 116.860 121.404 -4.544 25484 3888 1 9 . 1 1 24 24 ALA HA H 24 4.100 4.100 4.064 0.036 25484 3889 1 9 . 1 1 24 24 ALA C C 24 178.130 178.130 179.027 -0.897 25484 3890 1 9 . 1 1 24 24 ALA CA C 24 54.090 54.090 54.430 -0.340 25484 3891 1 9 . 1 1 24 24 ALA CB C 24 18.750 18.750 18.751 -0.001 25484 3892 1 9 . 1 1 24 24 ALA H H 24 8.260 8.260 8.112 0.148 25484 3893 1 9 . 1 1 25 25 GLN N N 25 112.450 112.450 117.698 -5.248 25484 3894 1 9 . 1 1 25 25 GLN HA H 25 4.495 4.495 4.201 0.294 25484 3895 1 9 . 1 1 25 25 GLN C C 25 174.940 174.940 176.097 -1.157 25484 3896 1 9 . 1 1 25 25 GLN CA C 25 54.650 54.650 57.016 -2.366 25484 3897 1 9 . 1 1 25 25 GLN CB C 25 30.650 30.650 30.531 0.119 25484 3898 1 9 . 1 1 25 25 GLN H H 25 7.260 7.260 8.007 -0.747 25484 3899 1 9 . 1 1 26 26 CYS N N 26 124.510 124.510 119.838 4.672 25484 3900 1 9 . 1 1 26 26 CYS HA H 26 3.915 3.915 4.302 -0.387 25484 3901 1 9 . 1 1 26 26 CYS C C 26 176.690 176.690 173.477 3.213 25484 3902 1 9 . 1 1 26 26 CYS CA C 26 60.980 60.980 58.453 2.527 25484 3903 1 9 . 1 1 26 26 CYS CB C 26 29.350 29.350 28.353 0.997 25484 3904 1 9 . 1 1 26 26 CYS H H 26 7.365 7.365 8.357 -0.992 25484 3905 1 9 . 1 1 27 27 ARG N N 27 129.870 129.870 127.154 2.716 25484 3906 1 9 . 1 1 27 27 ARG HA H 27 4.635 4.635 4.474 0.161 25484 3907 1 9 . 1 1 27 27 ARG C C 27 175.660 175.660 173.986 1.674 25484 3908 1 9 . 1 1 27 27 ARG CA C 27 54.550 54.550 55.129 -0.579 25484 3909 1 9 . 1 1 27 27 ARG CB C 27 30.350 30.350 28.896 1.454 25484 3910 1 9 . 1 1 27 27 ARG H H 27 8.880 8.880 8.331 0.549 25484 3911 1 9 . 1 1 28 28 ASN N N 28 120.810 120.810 122.332 -1.522 25484 3912 1 9 . 1 1 28 28 ASN HA H 28 4.870 4.870 4.819 0.051 25484 3913 1 9 . 1 1 28 28 ASN C C 28 176.120 176.120 174.912 1.208 25484 3914 1 9 . 1 1 28 28 ASN CA C 28 51.930 51.930 53.267 -1.337 25484 3915 1 9 . 1 1 28 28 ASN CB C 28 39.060 39.060 40.248 -1.188 25484 3916 1 9 . 1 1 28 28 ASN H H 28 7.980 7.980 8.174 -0.194 25484 3917 1 9 . 1 1 29 29 ALA N N 29 130.470 130.470 126.928 3.542 25484 3918 1 9 . 1 1 29 29 ALA HA H 29 4.133 4.133 4.228 -0.095 25484 3919 1 9 . 1 1 29 29 ALA C C 29 178.380 178.380 176.926 1.454 25484 3920 1 9 . 1 1 29 29 ALA CA C 29 54.290 54.290 53.886 0.404 25484 3921 1 9 . 1 1 29 29 ALA CB C 29 18.370 18.370 19.145 -0.775 25484 3922 1 9 . 1 1 29 29 ALA H H 29 9.134 9.134 8.603 0.531 25484 3923 1 9 . 1 1 30 30 ASN N N 30 114.590 114.590 114.231 0.359 25484 3924 1 9 . 1 1 30 30 ASN HA H 30 4.875 4.875 4.940 -0.065 25484 3925 1 9 . 1 1 30 30 ASN C C 30 174.530 174.530 174.418 0.112 25484 3926 1 9 . 1 1 30 30 ASN CA C 30 51.930 51.930 51.867 0.063 25484 3927 1 9 . 1 1 30 30 ASN CB C 30 38.910 38.910 39.087 -0.177 25484 3928 1 9 . 1 1 30 30 ASN H H 30 8.114 8.114 7.983 0.131 25484 3929 1 9 . 1 1 31 31 CYS N N 31 123.270 123.270 122.155 1.115 25484 3930 1 9 . 1 1 31 31 CYS HA H 31 4.050 4.050 4.280 -0.230 25484 3931 1 9 . 1 1 31 31 CYS C C 31 177.170 177.170 174.488 2.682 25484 3932 1 9 . 1 1 31 31 CYS CA C 31 61.880 61.880 60.297 1.583 25484 3933 1 9 . 1 1 31 31 CYS CB C 31 30.010 30.010 28.826 1.184 25484 3934 1 9 . 1 1 31 31 CYS H H 31 7.210 7.210 7.389 -0.179 25484 3935 1 9 . 1 1 32 32 SER N N 32 124.300 124.300 122.621 1.679 25484 3936 1 9 . 1 1 32 32 SER HA H 32 4.609 4.609 4.613 -0.004 25484 3937 1 9 . 1 1 32 32 SER C C 32 175.020 175.020 173.132 1.888 25484 3938 1 9 . 1 1 32 32 SER CA C 32 58.010 58.010 57.603 0.407 25484 3939 1 9 . 1 1 32 32 SER CB C 32 64.120 64.120 62.507 1.613 25484 3940 1 9 . 1 1 32 32 SER H H 32 8.767 8.767 8.492 0.275 25484 3941 1 9 . 1 1 33 33 LEU N N 33 128.860 128.860 128.916 -0.056 25484 3942 1 9 . 1 1 33 33 LEU HA H 33 4.538 4.538 4.847 -0.309 25484 3943 1 9 . 1 1 33 33 LEU C C 33 177.230 177.230 175.232 1.998 25484 3944 1 9 . 1 1 33 33 LEU CA C 33 54.450 54.450 52.301 2.149 25484 3945 1 9 . 1 1 33 33 LEU CB C 33 40.970 40.970 42.727 -1.757 25484 3946 1 9 . 1 1 33 33 LEU H H 33 8.546 8.546 7.842 0.704 25484 3947 1 9 . 1 1 34 34 PRO HA H 34 4.370 4.370 4.187 0.183 25484 3948 1 9 . 1 1 34 34 PRO C C 34 178.640 178.640 178.135 0.505 25484 3949 1 9 . 1 1 34 34 PRO CA C 34 65.530 65.530 65.556 -0.026 25484 3950 1 9 . 1 1 34 34 PRO CB C 34 31.970 31.970 31.899 0.070 25484 3951 1 9 . 1 1 35 35 SER N N 35 111.940 111.940 114.374 -2.434 25484 3952 1 9 . 1 1 35 35 SER HA H 35 4.127 4.127 4.254 -0.127 25484 3953 1 9 . 1 1 35 35 SER C C 35 174.750 174.750 176.164 -1.414 25484 3954 1 9 . 1 1 35 35 SER CA C 35 60.100 60.100 62.207 -2.107 25484 3955 1 9 . 1 1 35 35 SER CB C 35 62.910 62.910 62.589 0.321 25484 3956 1 9 . 1 1 35 35 SER H H 35 8.350 8.350 8.352 -0.002 25484 3957 1 9 . 1 1 36 36 CYS N N 36 125.790 125.790 122.183 3.607 25484 3958 1 9 . 1 1 36 36 CYS HA H 36 4.215 4.215 4.155 0.060 25484 3959 1 9 . 1 1 36 36 CYS C C 36 177.070 177.070 176.208 0.862 25484 3960 1 9 . 1 1 36 36 CYS CA C 36 63.900 63.900 62.165 1.735 25484 3961 1 9 . 1 1 36 36 CYS CB C 36 29.650 29.650 27.486 2.164 25484 3962 1 9 . 1 1 36 36 CYS H H 36 7.490 7.490 8.300 -0.810 25484 3963 1 9 . 1 1 37 37 GLN N N 37 115.860 115.860 118.912 -3.052 25484 3964 1 9 . 1 1 37 37 GLN HA H 37 4.010 4.010 3.821 0.189 25484 3965 1 9 . 1 1 37 37 GLN C C 37 179.690 179.690 178.289 1.401 25484 3966 1 9 . 1 1 37 37 GLN CA C 37 59.980 59.980 59.146 0.834 25484 3967 1 9 . 1 1 37 37 GLN CB C 37 27.820 27.820 28.260 -0.440 25484 3968 1 9 . 1 1 37 37 GLN H H 37 8.170 8.170 8.469 -0.299 25484 3969 1 9 . 1 1 38 38 LYS N N 38 117.470 117.470 119.754 -2.284 25484 3970 1 9 . 1 1 38 38 LYS HA H 38 4.060 4.060 3.995 0.065 25484 3971 1 9 . 1 1 38 38 LYS C C 38 179.230 179.230 179.337 -0.107 25484 3972 1 9 . 1 1 38 38 LYS CA C 38 59.450 59.450 59.271 0.179 25484 3973 1 9 . 1 1 38 38 LYS CB C 38 32.650 32.650 32.190 0.460 25484 3974 1 9 . 1 1 38 38 LYS H H 38 7.920 7.920 7.993 -0.073 25484 3975 1 9 . 1 1 39 39 MET N N 39 118.050 118.050 117.838 0.212 25484 3976 1 9 . 1 1 39 39 MET HA H 39 4.559 4.559 4.171 0.388 25484 3977 1 9 . 1 1 39 39 MET C C 39 179.720 179.720 178.511 1.209 25484 3978 1 9 . 1 1 39 39 MET CA C 39 57.250 57.250 58.209 -0.959 25484 3979 1 9 . 1 1 39 39 MET CB C 39 32.550 32.550 32.178 0.372 25484 3980 1 9 . 1 1 39 39 MET H H 39 8.370 8.370 7.684 0.686 25484 3981 1 9 . 1 1 40 40 LYS N N 40 121.630 121.630 120.693 0.937 25484 3982 1 9 . 1 1 40 40 LYS HA H 40 3.840 3.840 4.080 -0.240 25484 3983 1 9 . 1 1 40 40 LYS C C 40 180.150 180.150 179.243 0.907 25484 3984 1 9 . 1 1 40 40 LYS CA C 40 61.520 61.520 60.003 1.517 25484 3985 1 9 . 1 1 40 40 LYS CB C 40 32.620 32.620 32.281 0.339 25484 3986 1 9 . 1 1 40 40 LYS H H 40 9.490 9.490 8.571 0.919 25484 3987 1 9 . 1 1 41 41 ARG N N 41 118.300 118.300 118.303 -0.003 25484 3988 1 9 . 1 1 41 41 ARG HA H 41 4.180 4.180 4.166 0.014 25484 3989 1 9 . 1 1 41 41 ARG C C 41 180.080 180.080 178.221 1.859 25484 3990 1 9 . 1 1 41 41 ARG CA C 41 59.750 59.750 58.772 0.978 25484 3991 1 9 . 1 1 41 41 ARG CB C 41 30.010 30.010 30.188 -0.178 25484 3992 1 9 . 1 1 41 41 ARG H H 41 7.610 7.610 8.157 -0.547 25484 3993 1 9 . 1 1 42 42 VAL N N 42 121.750 121.750 120.317 1.433 25484 3994 1 9 . 1 1 42 42 VAL HA H 42 3.745 3.745 3.915 -0.170 25484 3995 1 9 . 1 1 42 42 VAL C C 42 178.130 178.130 177.396 0.734 25484 3996 1 9 . 1 1 42 42 VAL CA C 42 66.760 66.760 65.532 1.228 25484 3997 1 9 . 1 1 42 42 VAL CB C 42 31.520 31.520 32.562 -1.042 25484 3998 1 9 . 1 1 42 42 VAL H H 42 7.760 7.760 7.684 0.076 25484 3999 1 9 . 1 1 43 43 VAL N N 43 120.580 120.580 121.803 -1.223 25484 4000 1 9 . 1 1 43 43 VAL HA H 43 3.531 3.531 3.499 0.032 25484 4001 1 9 . 1 1 43 43 VAL C C 43 179.310 179.310 178.121 1.189 25484 4002 1 9 . 1 1 43 43 VAL CA C 43 67.120 67.120 67.215 -0.094 25484 4003 1 9 . 1 1 43 43 VAL CB C 43 31.510 31.510 31.481 0.029 25484 4004 1 9 . 1 1 43 43 VAL H H 43 8.500 8.500 8.422 0.078 25484 4005 1 9 . 1 1 44 44 GLN N N 44 119.280 119.280 116.379 2.901 25484 4006 1 9 . 1 1 44 44 GLN HA H 44 4.010 4.010 4.042 -0.032 25484 4007 1 9 . 1 1 44 44 GLN C C 44 179.330 179.330 178.409 0.921 25484 4008 1 9 . 1 1 44 44 GLN CA C 44 59.060 59.060 58.618 0.442 25484 4009 1 9 . 1 1 44 44 GLN CB C 44 28.030 28.030 27.996 0.034 25484 4010 1 9 . 1 1 44 44 GLN H H 44 8.400 8.400 8.588 -0.188 25484 4011 1 9 . 1 1 45 45 HIS N N 45 119.160 119.160 119.379 -0.219 25484 4012 1 9 . 1 1 45 45 HIS HA H 45 4.283 4.283 4.354 -0.071 25484 4013 1 9 . 1 1 45 45 HIS C C 45 178.250 178.250 177.073 1.177 25484 4014 1 9 . 1 1 45 45 HIS CA C 45 59.950 59.950 59.786 0.164 25484 4015 1 9 . 1 1 45 45 HIS CB C 45 27.150 27.150 30.049 -2.899 25484 4016 1 9 . 1 1 45 45 HIS H H 45 8.190 8.190 7.936 0.254 25484 4017 1 9 . 1 1 46 46 THR N N 46 111.110 111.110 114.324 -3.214 25484 4018 1 9 . 1 1 46 46 THR HA H 46 3.859 3.859 4.087 -0.228 25484 4019 1 9 . 1 1 46 46 THR C C 46 176.350 176.350 177.379 -1.029 25484 4020 1 9 . 1 1 46 46 THR CA C 46 65.670 65.670 66.275 -0.605 25484 4021 1 9 . 1 1 46 46 THR CB C 46 69.190 69.190 68.889 0.300 25484 4022 1 9 . 1 1 46 46 THR H H 46 7.980 7.980 8.311 -0.331 25484 4023 1 9 . 1 1 47 47 LYS N N 47 120.510 120.510 119.517 0.993 25484 4024 1 9 . 1 1 47 47 LYS HA H 47 4.090 4.090 4.131 -0.041 25484 4025 1 9 . 1 1 47 47 LYS C C 47 178.150 178.150 178.824 -0.674 25484 4026 1 9 . 1 1 47 47 LYS CA C 47 58.750 58.750 58.754 -0.004 25484 4027 1 9 . 1 1 47 47 LYS CB C 47 32.360 32.360 32.393 -0.033 25484 4028 1 9 . 1 1 47 47 LYS H H 47 7.410 7.410 7.657 -0.247 25484 4029 1 9 . 1 1 48 48 GLY N N 48 104.210 104.210 105.148 -0.938 25484 4030 1 9 . 1 1 48 48 GLY C C 48 174.220 174.220 174.638 -0.418 25484 4031 1 9 . 1 1 48 48 GLY CA C 48 44.753 44.753 44.880 -0.128 25484 4032 1 9 . 1 1 48 48 GLY H H 48 7.180 7.180 7.775 -0.595 25484 4033 1 9 . 1 1 49 49 CYS N N 49 123.560 123.560 119.757 3.803 25484 4034 1 9 . 1 1 49 49 CYS HA H 49 4.010 4.010 4.411 -0.401 25484 4035 1 9 . 1 1 49 49 CYS C C 49 177.230 177.230 174.225 3.005 25484 4036 1 9 . 1 1 49 49 CYS CA C 49 61.230 61.230 58.523 2.707 25484 4037 1 9 . 1 1 49 49 CYS CB C 49 29.850 29.850 28.903 0.947 25484 4038 1 9 . 1 1 49 49 CYS H H 49 6.981 6.981 7.914 -0.933 25484 4039 1 9 . 1 1 50 50 LYS N N 50 128.350 128.350 122.558 5.792 25484 4040 1 9 . 1 1 50 50 LYS HA H 50 4.524 4.524 4.292 0.232 25484 4041 1 9 . 1 1 50 50 LYS C C 50 178.040 178.040 177.424 0.616 25484 4042 1 9 . 1 1 50 50 LYS CA C 50 56.750 56.750 57.966 -1.216 25484 4043 1 9 . 1 1 50 50 LYS CB C 50 32.950 32.950 32.766 0.184 25484 4044 1 9 . 1 1 50 50 LYS H H 50 8.999 8.999 8.756 0.243 25484 4045 1 9 . 1 1 51 51 ARG N N 51 122.550 122.550 118.858 3.692 25484 4046 1 9 . 1 1 51 51 ARG HA H 51 4.428 4.428 4.207 0.221 25484 4047 1 9 . 1 1 51 51 ARG C C 51 177.410 177.410 178.381 -0.971 25484 4048 1 9 . 1 1 51 51 ARG CA C 51 57.750 57.750 57.282 0.468 25484 4049 1 9 . 1 1 51 51 ARG CB C 51 31.860 31.860 28.773 3.087 25484 4050 1 9 . 1 1 51 51 ARG H H 51 8.558 8.558 8.389 0.169 25484 4051 1 9 . 1 1 52 52 LYS N N 52 119.040 119.040 120.575 -1.535 25484 4052 1 9 . 1 1 52 52 LYS HA H 52 4.534 4.534 4.041 0.493 25484 4053 1 9 . 1 1 52 52 LYS C C 52 177.610 177.610 178.241 -0.631 25484 4054 1 9 . 1 1 52 52 LYS CA C 52 57.970 57.970 60.085 -2.115 25484 4055 1 9 . 1 1 52 52 LYS CB C 52 32.350 32.350 31.879 0.471 25484 4056 1 9 . 1 1 52 52 LYS H H 52 8.490 8.490 8.327 0.163 25484 4057 1 9 . 1 1 53 53 THR N N 53 113.034 113.034 106.900 6.134 25484 4058 1 9 . 1 1 53 53 THR HA H 53 4.160 4.160 4.366 -0.206 25484 4059 1 9 . 1 1 53 53 THR C C 53 175.610 175.610 176.750 -1.140 25484 4060 1 9 . 1 1 53 53 THR CA C 53 64.050 64.050 63.306 0.744 25484 4061 1 9 . 1 1 53 53 THR CB C 53 69.120 69.120 68.989 0.131 25484 4062 1 9 . 1 1 53 53 THR H H 53 7.760 7.760 8.130 -0.370 25484 4063 1 9 . 1 1 54 54 ASN N N 54 119.860 119.860 122.056 -2.196 25484 4064 1 9 . 1 1 54 54 ASN HA H 54 4.920 4.920 4.599 0.321 25484 4065 1 9 . 1 1 54 54 ASN C C 54 176.330 176.330 176.586 -0.256 25484 4066 1 9 . 1 1 54 54 ASN CA C 54 53.720 53.720 54.941 -1.221 25484 4067 1 9 . 1 1 54 54 ASN CB C 54 38.350 38.350 38.556 -0.206 25484 4068 1 9 . 1 1 54 54 ASN H H 54 8.290 8.290 7.978 0.312 25484 4069 1 9 . 1 1 55 55 GLY N N 55 107.570 107.570 103.853 3.717 25484 4070 1 9 . 1 1 55 55 GLY C C 55 175.660 175.660 174.579 1.081 25484 4071 1 9 . 1 1 55 55 GLY CA C 55 45.938 45.938 44.281 1.657 25484 4072 1 9 . 1 1 55 55 GLY H H 55 8.006 8.006 7.782 0.224 25484 4073 1 9 . 1 1 56 56 GLY N N 56 107.290 107.290 109.264 -1.974 25484 4074 1 9 . 1 1 56 56 GLY C C 56 173.710 173.710 174.813 -1.103 25484 4075 1 9 . 1 1 56 56 GLY CA C 56 45.570 45.570 44.996 0.574 25484 4076 1 9 . 1 1 56 56 GLY H H 56 7.840 7.840 7.533 0.307 25484 4077 1 9 . 1 1 57 57 CYS N N 57 122.730 122.730 119.909 2.821 25484 4078 1 9 . 1 1 57 57 CYS HA H 57 4.505 4.505 4.720 -0.215 25484 4079 1 9 . 1 1 57 57 CYS C C 57 175.090 175.090 173.704 1.386 25484 4080 1 9 . 1 1 57 57 CYS CA C 57 55.950 55.950 56.169 -0.219 25484 4081 1 9 . 1 1 57 57 CYS CB C 57 30.760 30.760 29.149 1.611 25484 4082 1 9 . 1 1 57 57 CYS H H 57 8.048 8.048 7.767 0.281 25484 4083 1 9 . 1 1 58 58 PRO HA H 58 4.338 4.338 4.513 -0.175 25484 4084 1 9 . 1 1 58 58 PRO CA C 58 65.050 65.050 62.116 2.934 25484 4085 1 9 . 1 1 58 58 PRO CB C 58 32.620 32.620 32.869 -0.249 25484 4086 1 9 . 1 1 59 59 ILE N N 59 121.256 121.256 117.562 3.694 25484 4087 1 9 . 1 1 59 59 ILE HA H 59 3.818 3.818 3.779 0.039 25484 4088 1 9 . 1 1 59 59 ILE C C 59 178.820 178.820 176.344 2.476 25484 4089 1 9 . 1 1 59 59 ILE CA C 59 64.590 64.590 63.157 1.433 25484 4090 1 9 . 1 1 59 59 ILE CB C 59 38.890 38.890 37.648 1.242 25484 4091 1 9 . 1 1 59 59 ILE H H 59 7.900 7.900 8.612 -0.712 25484 4092 1 9 . 1 1 60 60 CYS N N 60 123.970 123.970 116.485 7.485 25484 4093 1 9 . 1 1 60 60 CYS HA H 60 4.117 4.117 4.214 -0.097 25484 4094 1 9 . 1 1 60 60 CYS C C 60 178.110 178.110 176.343 1.767 25484 4095 1 9 . 1 1 60 60 CYS CA C 60 66.090 66.090 61.975 4.115 25484 4096 1 9 . 1 1 60 60 CYS CB C 60 29.150 29.150 28.669 0.481 25484 4097 1 9 . 1 1 60 60 CYS H H 60 8.914 8.914 8.267 0.647 25484 4098 1 9 . 1 1 61 61 LYS N N 61 117.210 117.210 120.788 -3.578 25484 4099 1 9 . 1 1 61 61 LYS HA H 61 3.910 3.910 3.992 -0.082 25484 4100 1 9 . 1 1 61 61 LYS C C 61 179.460 179.460 178.410 1.050 25484 4101 1 9 . 1 1 61 61 LYS CA C 61 59.970 59.970 59.928 0.042 25484 4102 1 9 . 1 1 61 61 LYS CB C 61 32.650 32.650 32.346 0.304 25484 4103 1 9 . 1 1 61 61 LYS H H 61 8.090 8.090 8.538 -0.448 25484 4104 1 9 . 1 1 62 62 GLN N N 62 117.780 117.780 116.585 1.195 25484 4105 1 9 . 1 1 62 62 GLN HA H 62 4.203 4.203 4.202 0.001 25484 4106 1 9 . 1 1 62 62 GLN C C 62 178.564 178.564 178.152 0.412 25484 4107 1 9 . 1 1 62 62 GLN CA C 62 58.450 58.450 58.528 -0.078 25484 4108 1 9 . 1 1 62 62 GLN CB C 62 29.140 29.140 28.011 1.129 25484 4109 1 9 . 1 1 62 62 GLN H H 62 7.360 7.360 8.393 -1.033 25484 4110 1 9 . 1 1 63 63 LEU N N 63 119.930 119.930 121.958 -2.028 25484 4111 1 9 . 1 1 63 63 LEU HA H 63 4.218 4.218 4.240 -0.022 25484 4112 1 9 . 1 1 63 63 LEU C C 63 179.440 179.440 177.799 1.641 25484 4113 1 9 . 1 1 63 63 LEU CA C 63 58.550 58.550 57.310 1.240 25484 4114 1 9 . 1 1 63 63 LEU CB C 63 41.910 41.910 41.782 0.128 25484 4115 1 9 . 1 1 63 63 LEU H H 63 8.075 8.075 7.551 0.524 25484 4116 1 9 . 1 1 64 64 ILE N N 64 120.280 120.280 120.626 -0.346 25484 4117 1 9 . 1 1 64 64 ILE HA H 64 3.600 3.600 3.617 -0.017 25484 4118 1 9 . 1 1 64 64 ILE C C 64 177.950 177.950 178.102 -0.152 25484 4119 1 9 . 1 1 64 64 ILE CA C 64 65.250 65.250 65.840 -0.590 25484 4120 1 9 . 1 1 64 64 ILE CB C 64 37.320 37.320 37.416 -0.097 25484 4121 1 9 . 1 1 64 64 ILE H H 64 8.466 8.466 8.630 -0.164 25484 4122 1 9 . 1 1 65 65 ALA N N 65 122.590 122.590 121.951 0.639 25484 4123 1 9 . 1 1 65 65 ALA HA H 65 4.185 4.185 3.762 0.423 25484 4124 1 9 . 1 1 65 65 ALA C C 65 181.010 181.010 179.369 1.641 25484 4125 1 9 . 1 1 65 65 ALA CA C 65 55.220 55.220 55.274 -0.054 25484 4126 1 9 . 1 1 65 65 ALA CB C 65 18.450 18.450 18.202 0.248 25484 4127 1 9 . 1 1 65 65 ALA H H 65 7.496 7.496 8.428 -0.932 25484 4128 1 9 . 1 1 66 66 LEU N N 66 115.599 115.599 120.631 -5.032 25484 4129 1 9 . 1 1 66 66 LEU HA H 66 4.100 4.100 4.062 0.038 25484 4130 1 9 . 1 1 66 66 LEU C C 66 179.380 179.380 179.022 0.358 25484 4131 1 9 . 1 1 66 66 LEU CA C 66 57.930 57.930 57.673 0.257 25484 4132 1 9 . 1 1 66 66 LEU CB C 66 41.410 41.410 41.619 -0.209 25484 4133 1 9 . 1 1 66 66 LEU H H 66 8.139 8.139 7.719 0.420 25484 4134 1 9 . 1 1 67 67 ALA N N 67 122.670 122.670 120.671 1.999 25484 4135 1 9 . 1 1 67 67 ALA HA H 67 3.958 3.958 3.925 0.033 25484 4136 1 9 . 1 1 67 67 ALA C C 67 180.060 180.060 179.337 0.723 25484 4137 1 9 . 1 1 67 67 ALA CA C 67 55.750 55.750 55.369 0.381 25484 4138 1 9 . 1 1 67 67 ALA CB C 67 19.220 19.220 18.162 1.058 25484 4139 1 9 . 1 1 67 67 ALA H H 67 8.770 8.770 8.965 -0.195 25484 4140 1 9 . 1 1 68 68 ALA N N 68 120.580 120.580 121.454 -0.874 25484 4141 1 9 . 1 1 68 68 ALA HA H 68 4.142 4.142 4.238 -0.096 25484 4142 1 9 . 1 1 68 68 ALA C C 68 179.540 179.540 179.788 -0.248 25484 4143 1 9 . 1 1 68 68 ALA CA C 68 55.450 55.450 54.752 0.698 25484 4144 1 9 . 1 1 68 68 ALA CB C 68 18.220 18.220 18.636 -0.416 25484 4145 1 9 . 1 1 68 68 ALA H H 68 8.604 8.604 8.249 0.355 25484 4146 1 9 . 1 1 69 69 TYR HA H 69 4.345 4.345 4.404 -0.059 25484 4147 1 9 . 1 1 69 69 TYR CA C 69 57.750 57.750 59.193 -1.443 25484 4148 1 9 . 1 1 69 69 TYR CB C 69 38.580 38.580 37.688 0.893 25484 4149 1 9 . 1 1 71 71 ALA HA H 71 4.000 4.000 3.827 0.173 25484 4150 1 9 . 1 1 71 71 ALA C C 71 179.540 179.540 179.250 0.290 25484 4151 1 9 . 1 1 71 71 ALA CA C 71 54.850 54.850 55.444 -0.594 25484 4152 1 9 . 1 1 71 71 ALA CB C 71 19.650 19.650 18.084 1.566 25484 4153 1 9 . 1 1 72 72 LYS N N 72 114.680 114.680 115.015 -0.335 25484 4154 1 9 . 1 1 72 72 LYS HA H 72 3.904 3.904 4.005 -0.101 25484 4155 1 9 . 1 1 72 72 LYS C C 72 177.120 177.120 178.688 -1.568 25484 4156 1 9 . 1 1 72 72 LYS CA C 72 58.230 58.230 59.375 -1.145 25484 4157 1 9 . 1 1 72 72 LYS CB C 72 32.340 32.340 32.594 -0.254 25484 4158 1 9 . 1 1 72 72 LYS H H 72 7.080 7.080 8.099 -1.019 25484 4159 1 9 . 1 1 73 73 HIS N N 73 113.498 113.498 115.839 -2.341 25484 4160 1 9 . 1 1 73 73 HIS HA H 73 4.826 4.826 4.600 0.226 25484 4161 1 9 . 1 1 73 73 HIS C C 73 173.660 173.660 175.118 -1.458 25484 4162 1 9 . 1 1 73 73 HIS CA C 73 54.380 54.380 57.169 -2.789 25484 4163 1 9 . 1 1 73 73 HIS CB C 73 30.350 30.350 32.388 -2.038 25484 4164 1 9 . 1 1 73 73 HIS H H 73 7.250 7.250 7.984 -0.734 25484 4165 1 9 . 1 1 74 74 CYS N N 74 123.830 123.830 122.060 1.770 25484 4166 1 9 . 1 1 74 74 CYS HA H 74 4.150 4.150 4.049 0.101 25484 4167 1 9 . 1 1 74 74 CYS C C 74 176.480 176.480 174.298 2.182 25484 4168 1 9 . 1 1 74 74 CYS CA C 74 60.250 60.250 60.073 0.177 25484 4169 1 9 . 1 1 74 74 CYS CB C 74 29.930 29.930 27.353 2.577 25484 4170 1 9 . 1 1 74 74 CYS H H 74 7.140 7.140 7.982 -0.842 25484 4171 1 9 . 1 1 75 75 GLN N N 75 128.740 128.740 127.160 1.580 25484 4172 1 9 . 1 1 75 75 GLN HA H 75 4.685 4.685 4.311 0.374 25484 4173 1 9 . 1 1 75 75 GLN C C 75 176.090 176.090 175.132 0.958 25484 4174 1 9 . 1 1 75 75 GLN CA C 75 54.900 54.900 55.077 -0.177 25484 4175 1 9 . 1 1 75 75 GLN CB C 75 29.840 29.840 27.244 2.596 25484 4176 1 9 . 1 1 75 75 GLN H H 75 9.088 9.088 8.480 0.608 25484 4177 1 9 . 1 1 76 76 GLU N N 76 123.190 123.190 123.975 -0.785 25484 4178 1 9 . 1 1 76 76 GLU HA H 76 4.480 4.480 4.463 0.017 25484 4179 1 9 . 1 1 76 76 GLU C C 76 177.030 177.030 174.678 2.352 25484 4180 1 9 . 1 1 76 76 GLU CA C 76 56.210 56.210 55.900 0.310 25484 4181 1 9 . 1 1 76 76 GLU CB C 76 30.660 30.660 32.642 -1.982 25484 4182 1 9 . 1 1 76 76 GLU H H 76 8.390 8.390 7.905 0.485 25484 4183 1 9 . 1 1 77 77 ASN N N 77 124.760 124.760 121.386 3.374 25484 4184 1 9 . 1 1 77 77 ASN HA H 77 4.549 4.549 4.827 -0.278 25484 4185 1 9 . 1 1 77 77 ASN C C 77 176.070 176.070 175.697 0.373 25484 4186 1 9 . 1 1 77 77 ASN CA C 77 55.100 55.100 52.979 2.121 25484 4187 1 9 . 1 1 77 77 ASN CB C 77 38.650 38.650 39.176 -0.526 25484 4188 1 9 . 1 1 77 77 ASN H H 77 8.848 8.848 8.671 0.177 25484 4189 1 9 . 1 1 78 78 LYS N N 78 120.810 120.810 120.427 0.383 25484 4190 1 9 . 1 1 78 78 LYS HA H 78 4.460 4.460 4.188 0.272 25484 4191 1 9 . 1 1 78 78 LYS C C 78 175.230 175.230 176.357 -1.127 25484 4192 1 9 . 1 1 78 78 LYS CA C 78 54.920 54.920 58.646 -3.726 25484 4193 1 9 . 1 1 78 78 LYS CB C 78 31.020 31.020 32.789 -1.769 25484 4194 1 9 . 1 1 78 78 LYS H H 78 8.636 8.636 7.816 0.820 25484 4195 1 9 . 1 1 80 80 PRO HA H 80 4.710 4.710 4.319 0.391 25484 4196 1 9 . 1 1 80 80 PRO CA C 80 62.850 62.850 64.031 -1.181 25484 4197 1 9 . 1 1 80 80 PRO CB C 80 32.150 32.150 32.124 0.026 25484 4198 1 9 . 1 1 81 81 VAL HA H 81 3.578 3.578 4.269 -0.691 25484 4199 1 9 . 1 1 81 81 VAL CA C 81 62.350 62.350 58.246 4.104 25484 4200 1 9 . 1 1 81 81 VAL CB C 81 31.616 31.616 32.121 -0.505 25484 4201 1 9 . 1 1 82 82 PRO HA H 82 4.850 4.850 3.964 0.886 25484 4202 1 9 . 1 1 82 82 PRO CA C 82 63.350 63.350 62.258 1.092 25484 4203 1 9 . 1 1 82 82 PRO CB C 82 32.050 32.050 32.210 -0.160 25484 4204 1 9 . 1 1 83 83 PHE HA H 83 4.160 4.160 4.274 -0.115 25484 4205 1 9 . 1 1 83 83 PHE CA C 83 58.950 58.950 58.900 0.050 25484 4206 1 9 . 1 1 83 83 PHE CB C 83 38.250 38.250 36.816 1.435 25484 4207 1 9 . 1 1 84 84 CYS HA H 84 4.597 4.597 4.833 -0.236 25484 4208 1 9 . 1 1 84 84 CYS CA C 84 56.750 56.750 55.787 0.963 25484 4209 1 9 . 1 1 84 84 CYS CB C 84 30.150 30.150 30.201 -0.051 25484 4210 1 9 . 1 1 85 85 LEU N N 85 119.930 119.930 119.437 0.493 25484 4211 1 9 . 1 1 85 85 LEU HA H 85 3.958 3.958 4.112 -0.154 25484 4212 1 9 . 1 1 85 85 LEU CA C 85 59.350 59.350 57.075 2.276 25484 4213 1 9 . 1 1 85 85 LEU CB C 85 38.180 38.180 38.956 -0.776 25484 4214 1 9 . 1 1 85 85 LEU H H 85 8.220 8.220 8.398 -0.178 25484 4215 1 9 . 1 1 86 86 ASN N N 86 115.750 115.750 116.379 -0.629 25484 4216 1 9 . 1 1 86 86 ASN HA H 86 4.580 4.580 4.789 -0.209 25484 4217 1 9 . 1 1 86 86 ASN CA C 86 51.860 51.860 54.162 -2.302 25484 4218 1 9 . 1 1 86 86 ASN CB C 86 38.610 38.610 40.526 -1.916 25484 4219 1 9 . 1 1 86 86 ASN H H 86 7.789 7.789 8.258 -0.469 25484 4220 1 9 . 1 1 87 87 ILE N N 87 123.260 123.260 118.169 5.091 25484 4221 1 9 . 1 1 87 87 ILE HA H 87 4.220 4.220 4.021 0.199 25484 4222 1 9 . 1 1 87 87 ILE CA C 87 61.850 61.850 61.780 0.070 25484 4223 1 9 . 1 1 87 87 ILE CB C 87 41.330 41.330 37.618 3.712 25484 4224 1 9 . 1 1 87 87 ILE H H 87 7.160 7.160 8.619 -1.459 25484 4225 1 9 . 1 1 88 88 LYS HA H 88 4.450 4.450 4.375 0.075 25484 4226 1 9 . 1 1 88 88 LYS CA C 88 54.530 54.530 55.353 -0.823 25484 4227 1 9 . 1 1 88 88 LYS CB C 88 31.450 31.450 30.585 0.865 25484 4228 1 9 . 1 1 89 89 GLN HA H 89 4.450 4.450 4.509 -0.059 25484 4229 1 9 . 1 1 89 89 GLN CA C 89 56.210 56.210 54.812 1.398 25484 4230 1 9 . 1 1 89 89 GLN CB C 89 29.250 29.250 30.231 -0.981 25484 4231 1 10 . 1 1 2 2 THR HA H 2 4.415 4.415 4.298 0.117 25484 4232 1 10 . 1 1 2 2 THR C C 2 174.580 174.580 174.216 0.364 25484 4233 1 10 . 1 1 2 2 THR CA C 2 62.450 62.450 64.095 -1.645 25484 4234 1 10 . 1 1 2 2 THR CB C 2 70.050 70.050 68.968 1.082 25484 4235 1 10 . 1 1 3 3 GLN N N 3 123.423 123.423 118.014 5.409 25484 4236 1 10 . 1 1 3 3 GLN HA H 3 4.480 4.480 4.585 -0.105 25484 4237 1 10 . 1 1 3 3 GLN C C 3 176.040 176.040 175.585 0.455 25484 4238 1 10 . 1 1 3 3 GLN CA C 3 55.950 55.950 55.554 0.396 25484 4239 1 10 . 1 1 3 3 GLN CB C 3 30.550 30.550 30.061 0.489 25484 4240 1 10 . 1 1 3 3 GLN H H 3 8.536 8.536 8.129 0.407 25484 4241 1 10 . 1 1 4 4 SER N N 4 119.390 119.390 117.103 2.287 25484 4242 1 10 . 1 1 4 4 SER HA H 4 4.834 4.834 4.730 0.104 25484 4243 1 10 . 1 1 4 4 SER C C 4 173.640 173.640 173.987 -0.347 25484 4244 1 10 . 1 1 4 4 SER CA C 4 56.250 56.250 60.090 -3.840 25484 4245 1 10 . 1 1 4 4 SER CB C 4 63.400 63.400 62.011 1.389 25484 4246 1 10 . 1 1 4 4 SER H H 4 8.150 8.150 7.913 0.237 25484 4247 1 10 . 1 1 5 5 PRO HA H 5 4.480 4.480 4.433 0.047 25484 4248 1 10 . 1 1 5 5 PRO C C 5 178.180 178.180 176.150 2.030 25484 4249 1 10 . 1 1 5 5 PRO CA C 5 64.040 64.040 63.461 0.579 25484 4250 1 10 . 1 1 5 5 PRO CB C 5 32.120 32.120 31.959 0.161 25484 4251 1 10 . 1 1 6 6 GLY N N 6 108.600 108.600 105.160 3.440 25484 4252 1 10 . 1 1 6 6 GLY C C 6 174.930 174.930 174.199 0.731 25484 4253 1 10 . 1 1 6 6 GLY CA C 6 45.750 45.750 44.744 1.006 25484 4254 1 10 . 1 1 6 6 GLY H H 6 8.470 8.470 7.525 0.945 25484 4255 1 10 . 1 1 7 7 ASP N N 7 121.260 121.260 122.734 -1.474 25484 4256 1 10 . 1 1 7 7 ASP HA H 7 4.660 4.660 4.356 0.304 25484 4257 1 10 . 1 1 7 7 ASP C C 7 177.580 177.580 177.072 0.508 25484 4258 1 10 . 1 1 7 7 ASP CA C 7 55.200 55.200 57.853 -2.654 25484 4259 1 10 . 1 1 7 7 ASP CB C 7 41.400 41.400 41.114 0.286 25484 4260 1 10 . 1 1 7 7 ASP H H 7 8.130 8.130 7.837 0.293 25484 4261 1 10 . 1 1 8 8 SER N N 8 116.818 116.818 114.640 2.178 25484 4262 1 10 . 1 1 8 8 SER HA H 8 4.340 4.340 4.275 0.065 25484 4263 1 10 . 1 1 8 8 SER C C 8 176.310 176.310 176.789 -0.479 25484 4264 1 10 . 1 1 8 8 SER CA C 8 60.050 60.050 61.710 -1.660 25484 4265 1 10 . 1 1 8 8 SER CB C 8 63.190 63.190 62.704 0.486 25484 4266 1 10 . 1 1 8 8 SER H H 8 8.372 8.372 8.629 -0.257 25484 4267 1 10 . 1 1 9 9 ARG N N 9 123.150 123.150 122.639 0.511 25484 4268 1 10 . 1 1 9 9 ARG HA H 9 4.260 4.260 4.065 0.195 25484 4269 1 10 . 1 1 9 9 ARG C C 9 177.710 177.710 178.418 -0.708 25484 4270 1 10 . 1 1 9 9 ARG CA C 9 58.050 58.050 58.733 -0.682 25484 4271 1 10 . 1 1 9 9 ARG CB C 9 30.350 30.350 30.022 0.328 25484 4272 1 10 . 1 1 9 9 ARG H H 9 8.308 8.308 7.473 0.835 25484 4273 1 10 . 1 1 10 10 ARG N N 10 119.940 119.940 119.631 0.309 25484 4274 1 10 . 1 1 10 10 ARG HA H 10 4.110 4.110 4.069 0.041 25484 4275 1 10 . 1 1 10 10 ARG C C 10 178.180 178.180 179.009 -0.829 25484 4276 1 10 . 1 1 10 10 ARG CA C 10 58.420 58.420 59.454 -1.034 25484 4277 1 10 . 1 1 10 10 ARG CB C 10 30.260 30.260 29.783 0.477 25484 4278 1 10 . 1 1 10 10 ARG H H 10 8.075 8.075 8.273 -0.198 25484 4279 1 10 . 1 1 11 11 LEU N N 11 121.060 121.060 119.034 2.026 25484 4280 1 10 . 1 1 11 11 LEU HA H 11 4.225 4.225 4.135 0.090 25484 4281 1 10 . 1 1 11 11 LEU C C 11 179.950 179.950 179.081 0.869 25484 4282 1 10 . 1 1 11 11 LEU CA C 11 57.450 57.450 58.375 -0.925 25484 4283 1 10 . 1 1 11 11 LEU CB C 11 41.910 41.910 41.375 0.535 25484 4284 1 10 . 1 1 11 11 LEU H H 11 8.160 8.160 8.866 -0.706 25484 4285 1 10 . 1 1 12 12 SER N N 12 116.470 116.470 115.439 1.031 25484 4286 1 10 . 1 1 12 12 SER HA H 12 4.317 4.317 4.237 0.080 25484 4287 1 10 . 1 1 12 12 SER C C 12 176.960 176.960 176.412 0.548 25484 4288 1 10 . 1 1 12 12 SER CA C 12 60.760 60.760 61.869 -1.109 25484 4289 1 10 . 1 1 12 12 SER CB C 12 63.350 63.350 62.959 0.391 25484 4290 1 10 . 1 1 12 12 SER H H 12 8.179 8.179 7.910 0.269 25484 4291 1 10 . 1 1 13 13 ILE N N 13 123.740 123.740 118.595 5.145 25484 4292 1 10 . 1 1 13 13 ILE HA H 13 3.690 3.690 4.086 -0.396 25484 4293 1 10 . 1 1 13 13 ILE C C 13 177.660 177.660 177.648 0.012 25484 4294 1 10 . 1 1 13 13 ILE CA C 13 64.930 64.930 63.254 1.676 25484 4295 1 10 . 1 1 13 13 ILE CB C 13 37.650 37.650 37.483 0.167 25484 4296 1 10 . 1 1 13 13 ILE H H 13 8.130 8.130 7.312 0.818 25484 4297 1 10 . 1 1 14 14 GLN N N 14 119.220 119.220 122.628 -3.408 25484 4298 1 10 . 1 1 14 14 GLN HA H 14 4.040 4.040 4.006 0.034 25484 4299 1 10 . 1 1 14 14 GLN C C 14 179.490 179.490 178.210 1.280 25484 4300 1 10 . 1 1 14 14 GLN CA C 14 59.750 59.750 60.150 -0.400 25484 4301 1 10 . 1 1 14 14 GLN CB C 14 27.730 27.730 28.806 -1.076 25484 4302 1 10 . 1 1 14 14 GLN H H 14 8.113 8.113 9.104 -0.991 25484 4303 1 10 . 1 1 15 15 ARG N N 15 119.160 119.160 118.531 0.629 25484 4304 1 10 . 1 1 15 15 ARG HA H 15 4.150 4.150 4.218 -0.068 25484 4305 1 10 . 1 1 15 15 ARG C C 15 179.460 179.460 178.710 0.750 25484 4306 1 10 . 1 1 15 15 ARG CA C 15 59.150 59.150 59.260 -0.110 25484 4307 1 10 . 1 1 15 15 ARG CB C 15 30.090 30.090 30.002 0.088 25484 4308 1 10 . 1 1 15 15 ARG H H 15 8.200 8.200 8.124 0.076 25484 4309 1 10 . 1 1 16 16 ALA N N 16 124.140 124.140 124.070 0.070 25484 4310 1 10 . 1 1 16 16 ALA HA H 16 3.990 3.990 4.141 -0.151 25484 4311 1 10 . 1 1 16 16 ALA C C 16 180.230 180.230 179.574 0.656 25484 4312 1 10 . 1 1 16 16 ALA CA C 16 55.550 55.550 55.049 0.501 25484 4313 1 10 . 1 1 16 16 ALA CB C 16 18.750 18.750 18.484 0.266 25484 4314 1 10 . 1 1 16 16 ALA H H 16 8.071 8.071 7.586 0.485 25484 4315 1 10 . 1 1 17 17 ILE N N 17 118.180 118.180 119.593 -1.413 25484 4316 1 10 . 1 1 17 17 ILE HA H 17 3.712 3.712 3.437 0.275 25484 4317 1 10 . 1 1 17 17 ILE C C 17 178.210 178.210 178.040 0.170 25484 4318 1 10 . 1 1 17 17 ILE CA C 17 64.870 64.870 65.926 -1.056 25484 4319 1 10 . 1 1 17 17 ILE CB C 17 37.640 37.640 37.863 -0.223 25484 4320 1 10 . 1 1 17 17 ILE H H 17 8.534 8.534 8.597 -0.063 25484 4321 1 10 . 1 1 18 18 GLN N N 18 118.960 118.960 119.223 -0.263 25484 4322 1 10 . 1 1 18 18 GLN HA H 18 4.134 4.134 3.877 0.257 25484 4323 1 10 . 1 1 18 18 GLN C C 18 180.050 180.050 178.954 1.096 25484 4324 1 10 . 1 1 18 18 GLN CA C 18 59.340 59.340 59.563 -0.223 25484 4325 1 10 . 1 1 18 18 GLN CB C 18 28.030 28.030 28.457 -0.427 25484 4326 1 10 . 1 1 18 18 GLN H H 18 8.200 8.200 8.866 -0.666 25484 4327 1 10 . 1 1 19 19 SER N N 19 116.320 116.320 116.382 -0.062 25484 4328 1 10 . 1 1 19 19 SER HA H 19 4.388 4.388 4.202 0.186 25484 4329 1 10 . 1 1 19 19 SER C C 19 176.460 176.460 176.347 0.113 25484 4330 1 10 . 1 1 19 19 SER CA C 19 62.250 62.250 62.501 -0.251 25484 4331 1 10 . 1 1 19 19 SER CB C 19 63.270 63.270 63.095 0.175 25484 4332 1 10 . 1 1 19 19 SER H H 19 8.190 8.190 8.474 -0.284 25484 4333 1 10 . 1 1 20 20 LEU N N 20 125.540 125.540 124.362 1.178 25484 4334 1 10 . 1 1 20 20 LEU HA H 20 4.075 4.075 3.972 0.103 25484 4335 1 10 . 1 1 20 20 LEU C C 20 177.640 177.640 178.354 -0.714 25484 4336 1 10 . 1 1 20 20 LEU CA C 20 58.750 58.750 58.394 0.356 25484 4337 1 10 . 1 1 20 20 LEU CB C 20 42.390 42.390 41.887 0.503 25484 4338 1 10 . 1 1 20 20 LEU H H 20 8.290 8.290 7.982 0.308 25484 4339 1 10 . 1 1 21 21 VAL N N 21 118.690 118.690 118.139 0.551 25484 4340 1 10 . 1 1 21 21 VAL HA H 21 3.356 3.356 3.486 -0.130 25484 4341 1 10 . 1 1 21 21 VAL C C 21 178.770 178.770 178.029 0.741 25484 4342 1 10 . 1 1 21 21 VAL CA C 21 66.850 66.850 67.218 -0.368 25484 4343 1 10 . 1 1 21 21 VAL CB C 21 31.450 31.450 30.927 0.523 25484 4344 1 10 . 1 1 21 21 VAL H H 21 8.532 8.532 8.936 -0.404 25484 4345 1 10 . 1 1 22 22 HIS N N 22 116.230 116.230 120.028 -3.798 25484 4346 1 10 . 1 1 22 22 HIS HA H 22 4.230 4.230 4.232 -0.002 25484 4347 1 10 . 1 1 22 22 HIS C C 22 178.420 178.420 177.045 1.375 25484 4348 1 10 . 1 1 22 22 HIS CA C 22 59.980 59.980 60.161 -0.181 25484 4349 1 10 . 1 1 22 22 HIS CB C 22 27.830 27.830 29.760 -1.930 25484 4350 1 10 . 1 1 22 22 HIS H H 22 7.980 7.980 8.268 -0.288 25484 4351 1 10 . 1 1 23 23 ALA N N 23 121.520 121.520 121.372 0.148 25484 4352 1 10 . 1 1 23 23 ALA HA H 23 4.225 4.225 4.133 0.092 25484 4353 1 10 . 1 1 23 23 ALA C C 23 179.540 179.540 178.448 1.092 25484 4354 1 10 . 1 1 23 23 ALA CA C 23 55.250 55.250 54.771 0.479 25484 4355 1 10 . 1 1 23 23 ALA CB C 23 19.550 19.550 18.589 0.961 25484 4356 1 10 . 1 1 23 23 ALA H H 23 8.640 8.640 8.485 0.155 25484 4357 1 10 . 1 1 24 24 ALA N N 24 116.860 116.860 119.279 -2.419 25484 4358 1 10 . 1 1 24 24 ALA HA H 24 4.100 4.100 4.016 0.084 25484 4359 1 10 . 1 1 24 24 ALA C C 24 178.130 178.130 179.575 -1.445 25484 4360 1 10 . 1 1 24 24 ALA CA C 24 54.090 54.090 54.455 -0.365 25484 4361 1 10 . 1 1 24 24 ALA CB C 24 18.750 18.750 18.678 0.072 25484 4362 1 10 . 1 1 24 24 ALA H H 24 8.260 8.260 7.724 0.536 25484 4363 1 10 . 1 1 25 25 GLN N N 25 112.450 112.450 116.810 -4.360 25484 4364 1 10 . 1 1 25 25 GLN HA H 25 4.495 4.495 4.172 0.323 25484 4365 1 10 . 1 1 25 25 GLN C C 25 174.940 174.940 176.102 -1.162 25484 4366 1 10 . 1 1 25 25 GLN CA C 25 54.650 54.650 56.629 -1.979 25484 4367 1 10 . 1 1 25 25 GLN CB C 25 30.650 30.650 29.980 0.670 25484 4368 1 10 . 1 1 25 25 GLN H H 25 7.260 7.260 8.283 -1.023 25484 4369 1 10 . 1 1 26 26 CYS N N 26 124.510 124.510 120.867 3.643 25484 4370 1 10 . 1 1 26 26 CYS HA H 26 3.915 3.915 4.256 -0.341 25484 4371 1 10 . 1 1 26 26 CYS C C 26 176.690 176.690 173.330 3.360 25484 4372 1 10 . 1 1 26 26 CYS CA C 26 60.980 60.980 58.662 2.318 25484 4373 1 10 . 1 1 26 26 CYS CB C 26 29.350 29.350 28.384 0.966 25484 4374 1 10 . 1 1 26 26 CYS H H 26 7.365 7.365 8.407 -1.042 25484 4375 1 10 . 1 1 27 27 ARG N N 27 129.870 129.870 126.739 3.131 25484 4376 1 10 . 1 1 27 27 ARG HA H 27 4.635 4.635 4.531 0.104 25484 4377 1 10 . 1 1 27 27 ARG C C 27 175.660 175.660 174.245 1.415 25484 4378 1 10 . 1 1 27 27 ARG CA C 27 54.550 54.550 54.428 0.122 25484 4379 1 10 . 1 1 27 27 ARG CB C 27 30.350 30.350 29.234 1.116 25484 4380 1 10 . 1 1 27 27 ARG H H 27 8.880 8.880 8.418 0.462 25484 4381 1 10 . 1 1 28 28 ASN N N 28 120.810 120.810 121.649 -0.839 25484 4382 1 10 . 1 1 28 28 ASN HA H 28 4.870 4.870 4.779 0.091 25484 4383 1 10 . 1 1 28 28 ASN C C 28 176.120 176.120 175.137 0.983 25484 4384 1 10 . 1 1 28 28 ASN CA C 28 51.930 51.930 53.045 -1.115 25484 4385 1 10 . 1 1 28 28 ASN CB C 28 39.060 39.060 40.516 -1.456 25484 4386 1 10 . 1 1 28 28 ASN H H 28 7.980 7.980 8.104 -0.124 25484 4387 1 10 . 1 1 29 29 ALA N N 29 130.470 130.470 126.398 4.072 25484 4388 1 10 . 1 1 29 29 ALA HA H 29 4.133 4.133 4.202 -0.069 25484 4389 1 10 . 1 1 29 29 ALA C C 29 178.380 178.380 177.111 1.269 25484 4390 1 10 . 1 1 29 29 ALA CA C 29 54.290 54.290 53.694 0.596 25484 4391 1 10 . 1 1 29 29 ALA CB C 29 18.370 18.370 19.239 -0.869 25484 4392 1 10 . 1 1 29 29 ALA H H 29 9.134 9.134 8.533 0.601 25484 4393 1 10 . 1 1 30 30 ASN N N 30 114.590 114.590 115.439 -0.849 25484 4394 1 10 . 1 1 30 30 ASN HA H 30 4.875 4.875 4.922 -0.047 25484 4395 1 10 . 1 1 30 30 ASN C C 30 174.530 174.530 174.695 -0.165 25484 4396 1 10 . 1 1 30 30 ASN CA C 30 51.930 51.930 52.417 -0.487 25484 4397 1 10 . 1 1 30 30 ASN CB C 30 38.910 38.910 39.336 -0.426 25484 4398 1 10 . 1 1 30 30 ASN H H 30 8.114 8.114 7.987 0.127 25484 4399 1 10 . 1 1 31 31 CYS N N 31 123.270 123.270 121.537 1.733 25484 4400 1 10 . 1 1 31 31 CYS HA H 31 4.050 4.050 4.260 -0.210 25484 4401 1 10 . 1 1 31 31 CYS C C 31 177.170 177.170 174.364 2.806 25484 4402 1 10 . 1 1 31 31 CYS CA C 31 61.880 61.880 60.323 1.557 25484 4403 1 10 . 1 1 31 31 CYS CB C 31 30.010 30.010 28.886 1.124 25484 4404 1 10 . 1 1 31 31 CYS H H 31 7.210 7.210 7.562 -0.352 25484 4405 1 10 . 1 1 32 32 SER N N 32 124.300 124.300 121.127 3.173 25484 4406 1 10 . 1 1 32 32 SER HA H 32 4.609 4.609 4.609 -0.000 25484 4407 1 10 . 1 1 32 32 SER C C 32 175.020 175.020 173.432 1.588 25484 4408 1 10 . 1 1 32 32 SER CA C 32 58.010 58.010 57.584 0.426 25484 4409 1 10 . 1 1 32 32 SER CB C 32 64.120 64.120 62.778 1.342 25484 4410 1 10 . 1 1 32 32 SER H H 32 8.767 8.767 8.360 0.407 25484 4411 1 10 . 1 1 33 33 LEU N N 33 128.860 128.860 129.513 -0.653 25484 4412 1 10 . 1 1 33 33 LEU HA H 33 4.538 4.538 4.994 -0.456 25484 4413 1 10 . 1 1 33 33 LEU C C 33 177.230 177.230 174.829 2.401 25484 4414 1 10 . 1 1 33 33 LEU CA C 33 54.450 54.450 51.216 3.234 25484 4415 1 10 . 1 1 33 33 LEU CB C 33 40.970 40.970 42.786 -1.817 25484 4416 1 10 . 1 1 33 33 LEU H H 33 8.546 8.546 7.521 1.025 25484 4417 1 10 . 1 1 34 34 PRO HA H 34 4.370 4.370 4.491 -0.121 25484 4418 1 10 . 1 1 34 34 PRO C C 34 178.640 178.640 178.648 -0.008 25484 4419 1 10 . 1 1 34 34 PRO CA C 34 65.530 65.530 65.507 0.022 25484 4420 1 10 . 1 1 34 34 PRO CB C 34 31.970 31.970 31.857 0.113 25484 4421 1 10 . 1 1 35 35 SER N N 35 111.940 111.940 113.323 -1.383 25484 4422 1 10 . 1 1 35 35 SER HA H 35 4.127 4.127 4.387 -0.260 25484 4423 1 10 . 1 1 35 35 SER C C 35 174.750 174.750 176.271 -1.521 25484 4424 1 10 . 1 1 35 35 SER CA C 35 60.100 60.100 60.981 -0.881 25484 4425 1 10 . 1 1 35 35 SER CB C 35 62.910 62.910 62.850 0.060 25484 4426 1 10 . 1 1 35 35 SER H H 35 8.350 8.350 8.536 -0.186 25484 4427 1 10 . 1 1 36 36 CYS N N 36 125.790 125.790 122.446 3.344 25484 4428 1 10 . 1 1 36 36 CYS HA H 36 4.215 4.215 4.209 0.006 25484 4429 1 10 . 1 1 36 36 CYS C C 36 177.070 177.070 176.504 0.566 25484 4430 1 10 . 1 1 36 36 CYS CA C 36 63.900 63.900 61.558 2.342 25484 4431 1 10 . 1 1 36 36 CYS CB C 36 29.650 29.650 26.829 2.821 25484 4432 1 10 . 1 1 36 36 CYS H H 36 7.490 7.490 8.071 -0.581 25484 4433 1 10 . 1 1 37 37 GLN N N 37 115.860 115.860 118.954 -3.094 25484 4434 1 10 . 1 1 37 37 GLN HA H 37 4.010 4.010 3.832 0.178 25484 4435 1 10 . 1 1 37 37 GLN C C 37 179.690 179.690 178.429 1.261 25484 4436 1 10 . 1 1 37 37 GLN CA C 37 59.980 59.980 59.285 0.695 25484 4437 1 10 . 1 1 37 37 GLN CB C 37 27.820 27.820 28.244 -0.424 25484 4438 1 10 . 1 1 37 37 GLN H H 37 8.170 8.170 8.693 -0.523 25484 4439 1 10 . 1 1 38 38 LYS N N 38 117.470 117.470 119.836 -2.366 25484 4440 1 10 . 1 1 38 38 LYS HA H 38 4.060 4.060 4.020 0.040 25484 4441 1 10 . 1 1 38 38 LYS C C 38 179.230 179.230 179.283 -0.053 25484 4442 1 10 . 1 1 38 38 LYS CA C 38 59.450 59.450 59.268 0.182 25484 4443 1 10 . 1 1 38 38 LYS CB C 38 32.650 32.650 32.224 0.426 25484 4444 1 10 . 1 1 38 38 LYS H H 38 7.920 7.920 8.065 -0.145 25484 4445 1 10 . 1 1 39 39 MET N N 39 118.050 118.050 118.193 -0.143 25484 4446 1 10 . 1 1 39 39 MET HA H 39 4.559 4.559 4.142 0.417 25484 4447 1 10 . 1 1 39 39 MET C C 39 179.720 179.720 178.469 1.251 25484 4448 1 10 . 1 1 39 39 MET CA C 39 57.250 57.250 58.339 -1.089 25484 4449 1 10 . 1 1 39 39 MET CB C 39 32.550 32.550 32.056 0.494 25484 4450 1 10 . 1 1 39 39 MET H H 39 8.370 8.370 7.757 0.613 25484 4451 1 10 . 1 1 40 40 LYS N N 40 121.630 121.630 120.599 1.031 25484 4452 1 10 . 1 1 40 40 LYS HA H 40 3.840 3.840 3.951 -0.111 25484 4453 1 10 . 1 1 40 40 LYS C C 40 180.150 180.150 179.153 0.997 25484 4454 1 10 . 1 1 40 40 LYS CA C 40 61.520 61.520 60.201 1.319 25484 4455 1 10 . 1 1 40 40 LYS CB C 40 32.620 32.620 32.295 0.325 25484 4456 1 10 . 1 1 40 40 LYS H H 40 9.490 9.490 8.478 1.012 25484 4457 1 10 . 1 1 41 41 ARG N N 41 118.300 118.300 117.790 0.510 25484 4458 1 10 . 1 1 41 41 ARG HA H 41 4.180 4.180 4.146 0.034 25484 4459 1 10 . 1 1 41 41 ARG C C 41 180.080 180.080 177.997 2.083 25484 4460 1 10 . 1 1 41 41 ARG CA C 41 59.750 59.750 58.734 1.016 25484 4461 1 10 . 1 1 41 41 ARG CB C 41 30.010 30.010 30.094 -0.084 25484 4462 1 10 . 1 1 41 41 ARG H H 41 7.610 7.610 8.111 -0.501 25484 4463 1 10 . 1 1 42 42 VAL N N 42 121.750 121.750 118.774 2.976 25484 4464 1 10 . 1 1 42 42 VAL HA H 42 3.745 3.745 4.013 -0.268 25484 4465 1 10 . 1 1 42 42 VAL C C 42 178.130 178.130 177.578 0.552 25484 4466 1 10 . 1 1 42 42 VAL CA C 42 66.760 66.760 65.082 1.678 25484 4467 1 10 . 1 1 42 42 VAL CB C 42 31.520 31.520 32.514 -0.994 25484 4468 1 10 . 1 1 42 42 VAL H H 42 7.760 7.760 7.834 -0.074 25484 4469 1 10 . 1 1 43 43 VAL N N 43 120.580 120.580 121.922 -1.342 25484 4470 1 10 . 1 1 43 43 VAL HA H 43 3.531 3.531 3.586 -0.055 25484 4471 1 10 . 1 1 43 43 VAL C C 43 179.310 179.310 178.444 0.866 25484 4472 1 10 . 1 1 43 43 VAL CA C 43 67.120 67.120 67.351 -0.231 25484 4473 1 10 . 1 1 43 43 VAL CB C 43 31.510 31.510 31.343 0.167 25484 4474 1 10 . 1 1 43 43 VAL H H 43 8.500 8.500 8.627 -0.127 25484 4475 1 10 . 1 1 44 44 GLN N N 44 119.280 119.280 116.619 2.661 25484 4476 1 10 . 1 1 44 44 GLN HA H 44 4.010 4.010 4.083 -0.073 25484 4477 1 10 . 1 1 44 44 GLN C C 44 179.330 179.330 178.547 0.783 25484 4478 1 10 . 1 1 44 44 GLN CA C 44 59.060 59.060 58.618 0.442 25484 4479 1 10 . 1 1 44 44 GLN CB C 44 28.030 28.030 28.328 -0.298 25484 4480 1 10 . 1 1 44 44 GLN H H 44 8.400 8.400 8.685 -0.285 25484 4481 1 10 . 1 1 45 45 HIS N N 45 119.160 119.160 119.884 -0.724 25484 4482 1 10 . 1 1 45 45 HIS HA H 45 4.283 4.283 4.310 -0.027 25484 4483 1 10 . 1 1 45 45 HIS C C 45 178.250 178.250 177.542 0.708 25484 4484 1 10 . 1 1 45 45 HIS CA C 45 59.950 59.950 60.022 -0.072 25484 4485 1 10 . 1 1 45 45 HIS CB C 45 27.150 27.150 29.861 -2.711 25484 4486 1 10 . 1 1 45 45 HIS H H 45 8.190 8.190 7.386 0.804 25484 4487 1 10 . 1 1 46 46 THR N N 46 111.110 111.110 116.006 -4.896 25484 4488 1 10 . 1 1 46 46 THR HA H 46 3.859 3.859 3.966 -0.107 25484 4489 1 10 . 1 1 46 46 THR C C 46 176.350 176.350 176.951 -0.601 25484 4490 1 10 . 1 1 46 46 THR CA C 46 65.670 65.670 66.924 -1.254 25484 4491 1 10 . 1 1 46 46 THR CB C 46 69.190 69.190 68.897 0.293 25484 4492 1 10 . 1 1 46 46 THR H H 46 7.980 7.980 8.389 -0.409 25484 4493 1 10 . 1 1 47 47 LYS N N 47 120.510 120.510 119.919 0.591 25484 4494 1 10 . 1 1 47 47 LYS HA H 47 4.090 4.090 4.181 -0.091 25484 4495 1 10 . 1 1 47 47 LYS C C 47 178.150 178.150 179.262 -1.112 25484 4496 1 10 . 1 1 47 47 LYS CA C 47 58.750 58.750 58.769 -0.019 25484 4497 1 10 . 1 1 47 47 LYS CB C 47 32.360 32.360 32.291 0.069 25484 4498 1 10 . 1 1 47 47 LYS H H 47 7.410 7.410 7.643 -0.233 25484 4499 1 10 . 1 1 48 48 GLY N N 48 104.210 104.210 105.919 -1.709 25484 4500 1 10 . 1 1 48 48 GLY C C 48 174.220 174.220 174.551 -0.331 25484 4501 1 10 . 1 1 48 48 GLY CA C 48 44.753 44.753 45.462 -0.709 25484 4502 1 10 . 1 1 48 48 GLY H H 48 7.180 7.180 7.913 -0.733 25484 4503 1 10 . 1 1 49 49 CYS N N 49 123.560 123.560 121.674 1.886 25484 4504 1 10 . 1 1 49 49 CYS HA H 49 4.010 4.010 4.469 -0.459 25484 4505 1 10 . 1 1 49 49 CYS C C 49 177.230 177.230 174.452 2.778 25484 4506 1 10 . 1 1 49 49 CYS CA C 49 61.230 61.230 58.499 2.731 25484 4507 1 10 . 1 1 49 49 CYS CB C 49 29.850 29.850 26.532 3.318 25484 4508 1 10 . 1 1 49 49 CYS H H 49 6.981 6.981 7.731 -0.750 25484 4509 1 10 . 1 1 50 50 LYS N N 50 128.350 128.350 122.963 5.387 25484 4510 1 10 . 1 1 50 50 LYS HA H 50 4.524 4.524 4.107 0.416 25484 4511 1 10 . 1 1 50 50 LYS C C 50 178.040 178.040 177.531 0.509 25484 4512 1 10 . 1 1 50 50 LYS CA C 50 56.750 56.750 57.460 -0.710 25484 4513 1 10 . 1 1 50 50 LYS CB C 50 32.950 32.950 32.084 0.866 25484 4514 1 10 . 1 1 50 50 LYS H H 50 8.999 8.999 7.968 1.031 25484 4515 1 10 . 1 1 51 51 ARG N N 51 122.550 122.550 117.942 4.608 25484 4516 1 10 . 1 1 51 51 ARG HA H 51 4.428 4.428 4.129 0.299 25484 4517 1 10 . 1 1 51 51 ARG C C 51 177.410 177.410 178.486 -1.076 25484 4518 1 10 . 1 1 51 51 ARG CA C 51 57.750 57.750 57.407 0.343 25484 4519 1 10 . 1 1 51 51 ARG CB C 51 31.860 31.860 29.020 2.840 25484 4520 1 10 . 1 1 51 51 ARG H H 51 8.558 8.558 8.429 0.129 25484 4521 1 10 . 1 1 52 52 LYS N N 52 119.040 119.040 119.241 -0.201 25484 4522 1 10 . 1 1 52 52 LYS HA H 52 4.534 4.534 4.040 0.494 25484 4523 1 10 . 1 1 52 52 LYS C C 52 177.610 177.610 178.376 -0.766 25484 4524 1 10 . 1 1 52 52 LYS CA C 52 57.970 57.970 60.392 -2.422 25484 4525 1 10 . 1 1 52 52 LYS CB C 52 32.350 32.350 31.940 0.410 25484 4526 1 10 . 1 1 52 52 LYS H H 52 8.490 8.490 8.077 0.413 25484 4527 1 10 . 1 1 53 53 THR N N 53 113.034 113.034 108.898 4.136 25484 4528 1 10 . 1 1 53 53 THR HA H 53 4.160 4.160 4.348 -0.188 25484 4529 1 10 . 1 1 53 53 THR C C 53 175.610 175.610 176.620 -1.010 25484 4530 1 10 . 1 1 53 53 THR CA C 53 64.050 64.050 63.795 0.255 25484 4531 1 10 . 1 1 53 53 THR CB C 53 69.120 69.120 68.773 0.347 25484 4532 1 10 . 1 1 53 53 THR H H 53 7.760 7.760 8.316 -0.556 25484 4533 1 10 . 1 1 54 54 ASN N N 54 119.860 119.860 122.270 -2.410 25484 4534 1 10 . 1 1 54 54 ASN HA H 54 4.920 4.920 4.616 0.304 25484 4535 1 10 . 1 1 54 54 ASN C C 54 176.330 176.330 176.463 -0.133 25484 4536 1 10 . 1 1 54 54 ASN CA C 54 53.720 53.720 55.457 -1.737 25484 4537 1 10 . 1 1 54 54 ASN CB C 54 38.350 38.350 38.379 -0.029 25484 4538 1 10 . 1 1 54 54 ASN H H 54 8.290 8.290 8.067 0.223 25484 4539 1 10 . 1 1 55 55 GLY N N 55 107.570 107.570 103.383 4.187 25484 4540 1 10 . 1 1 55 55 GLY C C 55 175.660 175.660 174.335 1.325 25484 4541 1 10 . 1 1 55 55 GLY CA C 55 45.938 45.938 44.184 1.754 25484 4542 1 10 . 1 1 55 55 GLY H H 55 8.006 8.006 7.898 0.108 25484 4543 1 10 . 1 1 56 56 GLY N N 56 107.290 107.290 108.665 -1.375 25484 4544 1 10 . 1 1 56 56 GLY C C 56 173.710 173.710 174.885 -1.175 25484 4545 1 10 . 1 1 56 56 GLY CA C 56 45.570 45.570 45.597 -0.027 25484 4546 1 10 . 1 1 56 56 GLY H H 56 7.840 7.840 7.439 0.402 25484 4547 1 10 . 1 1 57 57 CYS N N 57 122.730 122.730 120.459 2.271 25484 4548 1 10 . 1 1 57 57 CYS HA H 57 4.505 4.505 4.858 -0.353 25484 4549 1 10 . 1 1 57 57 CYS C C 57 175.090 175.090 173.253 1.837 25484 4550 1 10 . 1 1 57 57 CYS CA C 57 55.950 55.950 55.360 0.590 25484 4551 1 10 . 1 1 57 57 CYS CB C 57 30.760 30.760 28.550 2.210 25484 4552 1 10 . 1 1 57 57 CYS H H 57 8.048 8.048 7.915 0.133 25484 4553 1 10 . 1 1 58 58 PRO HA H 58 4.338 4.338 4.690 -0.352 25484 4554 1 10 . 1 1 58 58 PRO CA C 58 65.050 65.050 62.822 2.228 25484 4555 1 10 . 1 1 58 58 PRO CB C 58 32.620 32.620 30.488 2.132 25484 4556 1 10 . 1 1 59 59 ILE N N 59 121.256 121.256 123.865 -2.609 25484 4557 1 10 . 1 1 59 59 ILE HA H 59 3.818 3.818 4.224 -0.406 25484 4558 1 10 . 1 1 59 59 ILE C C 59 178.820 178.820 176.183 2.637 25484 4559 1 10 . 1 1 59 59 ILE CA C 59 64.590 64.590 63.133 1.457 25484 4560 1 10 . 1 1 59 59 ILE CB C 59 38.890 38.890 39.509 -0.619 25484 4561 1 10 . 1 1 59 59 ILE H H 59 7.900 7.900 8.990 -1.090 25484 4562 1 10 . 1 1 60 60 CYS N N 60 123.970 123.970 119.609 4.361 25484 4563 1 10 . 1 1 60 60 CYS HA H 60 4.117 4.117 4.258 -0.141 25484 4564 1 10 . 1 1 60 60 CYS C C 60 178.110 178.110 177.116 0.994 25484 4565 1 10 . 1 1 60 60 CYS CA C 60 66.090 66.090 61.610 4.480 25484 4566 1 10 . 1 1 60 60 CYS CB C 60 29.150 29.150 26.336 2.814 25484 4567 1 10 . 1 1 60 60 CYS H H 60 8.914 8.914 8.344 0.570 25484 4568 1 10 . 1 1 61 61 LYS N N 61 117.210 117.210 120.846 -3.636 25484 4569 1 10 . 1 1 61 61 LYS HA H 61 3.910 3.910 4.082 -0.172 25484 4570 1 10 . 1 1 61 61 LYS C C 61 179.460 179.460 178.126 1.334 25484 4571 1 10 . 1 1 61 61 LYS CA C 61 59.970 59.970 59.819 0.151 25484 4572 1 10 . 1 1 61 61 LYS CB C 61 32.650 32.650 32.517 0.133 25484 4573 1 10 . 1 1 61 61 LYS H H 61 8.090 8.090 8.149 -0.059 25484 4574 1 10 . 1 1 62 62 GLN N N 62 117.780 117.780 118.522 -0.742 25484 4575 1 10 . 1 1 62 62 GLN HA H 62 4.203 4.203 4.182 0.021 25484 4576 1 10 . 1 1 62 62 GLN C C 62 178.564 178.564 178.728 -0.164 25484 4577 1 10 . 1 1 62 62 GLN CA C 62 58.450 58.450 58.080 0.370 25484 4578 1 10 . 1 1 62 62 GLN CB C 62 29.140 29.140 29.031 0.109 25484 4579 1 10 . 1 1 62 62 GLN H H 62 7.360 7.360 7.560 -0.200 25484 4580 1 10 . 1 1 63 63 LEU N N 63 119.930 119.930 123.269 -3.339 25484 4581 1 10 . 1 1 63 63 LEU HA H 63 4.218 4.218 4.167 0.051 25484 4582 1 10 . 1 1 63 63 LEU C C 63 179.440 179.440 177.867 1.573 25484 4583 1 10 . 1 1 63 63 LEU CA C 63 58.550 58.550 57.622 0.928 25484 4584 1 10 . 1 1 63 63 LEU CB C 63 41.910 41.910 41.830 0.080 25484 4585 1 10 . 1 1 63 63 LEU H H 63 8.075 8.075 8.860 -0.785 25484 4586 1 10 . 1 1 64 64 ILE N N 64 120.280 120.280 120.328 -0.048 25484 4587 1 10 . 1 1 64 64 ILE HA H 64 3.600 3.600 3.707 -0.107 25484 4588 1 10 . 1 1 64 64 ILE C C 64 177.950 177.950 177.838 0.112 25484 4589 1 10 . 1 1 64 64 ILE CA C 64 65.250 65.250 65.825 -0.575 25484 4590 1 10 . 1 1 64 64 ILE CB C 64 37.320 37.320 37.405 -0.085 25484 4591 1 10 . 1 1 64 64 ILE H H 64 8.466 8.466 8.716 -0.250 25484 4592 1 10 . 1 1 65 65 ALA N N 65 122.590 122.590 122.106 0.484 25484 4593 1 10 . 1 1 65 65 ALA HA H 65 4.185 4.185 4.069 0.116 25484 4594 1 10 . 1 1 65 65 ALA C C 65 181.010 181.010 179.652 1.358 25484 4595 1 10 . 1 1 65 65 ALA CA C 65 55.220 55.220 55.381 -0.161 25484 4596 1 10 . 1 1 65 65 ALA CB C 65 18.450 18.450 18.105 0.345 25484 4597 1 10 . 1 1 65 65 ALA H H 65 7.496 7.496 8.155 -0.659 25484 4598 1 10 . 1 1 66 66 LEU N N 66 115.599 115.599 120.649 -5.050 25484 4599 1 10 . 1 1 66 66 LEU HA H 66 4.100 4.100 4.348 -0.248 25484 4600 1 10 . 1 1 66 66 LEU C C 66 179.380 179.380 178.892 0.488 25484 4601 1 10 . 1 1 66 66 LEU CA C 66 57.930 57.930 57.839 0.091 25484 4602 1 10 . 1 1 66 66 LEU CB C 66 41.410 41.410 41.646 -0.236 25484 4603 1 10 . 1 1 66 66 LEU H H 66 8.139 8.139 7.883 0.256 25484 4604 1 10 . 1 1 67 67 ALA N N 67 122.670 122.670 121.516 1.154 25484 4605 1 10 . 1 1 67 67 ALA HA H 67 3.958 3.958 3.925 0.033 25484 4606 1 10 . 1 1 67 67 ALA C C 67 180.060 180.060 179.498 0.562 25484 4607 1 10 . 1 1 67 67 ALA CA C 67 55.750 55.750 55.571 0.179 25484 4608 1 10 . 1 1 67 67 ALA CB C 67 19.220 19.220 18.296 0.924 25484 4609 1 10 . 1 1 67 67 ALA H H 67 8.770 8.770 9.068 -0.298 25484 4610 1 10 . 1 1 68 68 ALA N N 68 120.580 120.580 122.129 -1.549 25484 4611 1 10 . 1 1 68 68 ALA HA H 68 4.142 4.142 4.558 -0.416 25484 4612 1 10 . 1 1 68 68 ALA C C 68 179.540 179.540 179.455 0.085 25484 4613 1 10 . 1 1 68 68 ALA CA C 68 55.450 55.450 54.815 0.635 25484 4614 1 10 . 1 1 68 68 ALA CB C 68 18.220 18.220 18.974 -0.753 25484 4615 1 10 . 1 1 68 68 ALA H H 68 8.604 8.604 8.765 -0.161 25484 4616 1 10 . 1 1 69 69 TYR HA H 69 4.345 4.345 4.204 0.141 25484 4617 1 10 . 1 1 69 69 TYR CA C 69 57.750 57.750 60.801 -3.051 25484 4618 1 10 . 1 1 69 69 TYR CB C 69 38.580 38.580 37.809 0.771 25484 4619 1 10 . 1 1 71 71 ALA HA H 71 4.000 4.000 3.902 0.098 25484 4620 1 10 . 1 1 71 71 ALA C C 71 179.540 179.540 179.058 0.482 25484 4621 1 10 . 1 1 71 71 ALA CA C 71 54.850 54.850 55.160 -0.310 25484 4622 1 10 . 1 1 71 71 ALA CB C 71 19.650 19.650 18.380 1.270 25484 4623 1 10 . 1 1 72 72 LYS N N 72 114.680 114.680 115.888 -1.208 25484 4624 1 10 . 1 1 72 72 LYS HA H 72 3.904 3.904 3.991 -0.087 25484 4625 1 10 . 1 1 72 72 LYS C C 72 177.120 177.120 178.168 -1.048 25484 4626 1 10 . 1 1 72 72 LYS CA C 72 58.230 58.230 59.038 -0.808 25484 4627 1 10 . 1 1 72 72 LYS CB C 72 32.340 32.340 32.580 -0.240 25484 4628 1 10 . 1 1 72 72 LYS H H 72 7.080 7.080 8.219 -1.139 25484 4629 1 10 . 1 1 73 73 HIS N N 73 113.498 113.498 115.245 -1.747 25484 4630 1 10 . 1 1 73 73 HIS HA H 73 4.826 4.826 4.588 0.238 25484 4631 1 10 . 1 1 73 73 HIS C C 73 173.660 173.660 175.289 -1.629 25484 4632 1 10 . 1 1 73 73 HIS CA C 73 54.380 54.380 57.318 -2.938 25484 4633 1 10 . 1 1 73 73 HIS CB C 73 30.350 30.350 31.592 -1.242 25484 4634 1 10 . 1 1 73 73 HIS H H 73 7.250 7.250 7.385 -0.135 25484 4635 1 10 . 1 1 74 74 CYS N N 74 123.830 123.830 121.266 2.564 25484 4636 1 10 . 1 1 74 74 CYS HA H 74 4.150 4.150 4.120 0.030 25484 4637 1 10 . 1 1 74 74 CYS C C 74 176.480 176.480 174.314 2.166 25484 4638 1 10 . 1 1 74 74 CYS CA C 74 60.250 60.250 59.556 0.694 25484 4639 1 10 . 1 1 74 74 CYS CB C 74 29.930 29.930 27.003 2.926 25484 4640 1 10 . 1 1 74 74 CYS H H 74 7.140 7.140 8.422 -1.282 25484 4641 1 10 . 1 1 75 75 GLN N N 75 128.740 128.740 127.781 0.959 25484 4642 1 10 . 1 1 75 75 GLN HA H 75 4.685 4.685 4.212 0.473 25484 4643 1 10 . 1 1 75 75 GLN C C 75 176.090 176.090 175.060 1.030 25484 4644 1 10 . 1 1 75 75 GLN CA C 75 54.900 54.900 55.574 -0.674 25484 4645 1 10 . 1 1 75 75 GLN CB C 75 29.840 29.840 27.375 2.465 25484 4646 1 10 . 1 1 75 75 GLN H H 75 9.088 9.088 8.405 0.683 25484 4647 1 10 . 1 1 76 76 GLU N N 76 123.190 123.190 123.519 -0.329 25484 4648 1 10 . 1 1 76 76 GLU HA H 76 4.480 4.480 4.496 -0.016 25484 4649 1 10 . 1 1 76 76 GLU C C 76 177.030 177.030 174.540 2.490 25484 4650 1 10 . 1 1 76 76 GLU CA C 76 56.210 56.210 55.718 0.492 25484 4651 1 10 . 1 1 76 76 GLU CB C 76 30.660 30.660 32.750 -2.090 25484 4652 1 10 . 1 1 76 76 GLU H H 76 8.390 8.390 7.910 0.480 25484 4653 1 10 . 1 1 77 77 ASN N N 77 124.760 124.760 122.116 2.644 25484 4654 1 10 . 1 1 77 77 ASN HA H 77 4.549 4.549 4.749 -0.200 25484 4655 1 10 . 1 1 77 77 ASN C C 77 176.070 176.070 175.213 0.857 25484 4656 1 10 . 1 1 77 77 ASN CA C 77 55.100 55.100 52.528 2.572 25484 4657 1 10 . 1 1 77 77 ASN CB C 77 38.650 38.650 38.868 -0.218 25484 4658 1 10 . 1 1 77 77 ASN H H 77 8.848 8.848 8.660 0.188 25484 4659 1 10 . 1 1 78 78 LYS N N 78 120.810 120.810 120.406 0.404 25484 4660 1 10 . 1 1 78 78 LYS HA H 78 4.460 4.460 4.078 0.382 25484 4661 1 10 . 1 1 78 78 LYS C C 78 175.230 175.230 176.806 -1.576 25484 4662 1 10 . 1 1 78 78 LYS CA C 78 54.920 54.920 58.561 -3.641 25484 4663 1 10 . 1 1 78 78 LYS CB C 78 31.020 31.020 32.911 -1.891 25484 4664 1 10 . 1 1 78 78 LYS H H 78 8.636 8.636 7.590 1.046 25484 4665 1 10 . 1 1 80 80 PRO HA H 80 4.710 4.710 4.417 0.293 25484 4666 1 10 . 1 1 80 80 PRO CA C 80 62.850 62.850 64.023 -1.173 25484 4667 1 10 . 1 1 80 80 PRO CB C 80 32.150 32.150 32.156 -0.006 25484 4668 1 10 . 1 1 81 81 VAL HA H 81 3.578 3.578 4.276 -0.698 25484 4669 1 10 . 1 1 81 81 VAL CA C 81 62.350 62.350 58.401 3.949 25484 4670 1 10 . 1 1 81 81 VAL CB C 81 31.616 31.616 32.161 -0.545 25484 4671 1 10 . 1 1 82 82 PRO HA H 82 4.850 4.850 3.986 0.864 25484 4672 1 10 . 1 1 82 82 PRO CA C 82 63.350 63.350 62.428 0.922 25484 4673 1 10 . 1 1 82 82 PRO CB C 82 32.050 32.050 31.994 0.056 25484 4674 1 10 . 1 1 83 83 PHE HA H 83 4.160 4.160 4.252 -0.092 25484 4675 1 10 . 1 1 83 83 PHE CA C 83 58.950 58.950 59.413 -0.463 25484 4676 1 10 . 1 1 83 83 PHE CB C 83 38.250 38.250 36.601 1.649 25484 4677 1 10 . 1 1 84 84 CYS HA H 84 4.597 4.597 4.757 -0.160 25484 4678 1 10 . 1 1 84 84 CYS CA C 84 56.750 56.750 55.995 0.755 25484 4679 1 10 . 1 1 84 84 CYS CB C 84 30.150 30.150 30.394 -0.244 25484 4680 1 10 . 1 1 85 85 LEU N N 85 119.930 119.930 120.825 -0.895 25484 4681 1 10 . 1 1 85 85 LEU HA H 85 3.958 3.958 4.177 -0.219 25484 4682 1 10 . 1 1 85 85 LEU CA C 85 59.350 59.350 56.652 2.698 25484 4683 1 10 . 1 1 85 85 LEU CB C 85 38.180 38.180 38.721 -0.541 25484 4684 1 10 . 1 1 85 85 LEU H H 85 8.220 8.220 8.443 -0.223 25484 4685 1 10 . 1 1 86 86 ASN N N 86 115.750 115.750 117.491 -1.741 25484 4686 1 10 . 1 1 86 86 ASN HA H 86 4.580 4.580 4.770 -0.190 25484 4687 1 10 . 1 1 86 86 ASN CA C 86 51.860 51.860 54.188 -2.328 25484 4688 1 10 . 1 1 86 86 ASN CB C 86 38.610 38.610 41.000 -2.390 25484 4689 1 10 . 1 1 86 86 ASN H H 86 7.789 7.789 8.347 -0.558 25484 4690 1 10 . 1 1 87 87 ILE N N 87 123.260 123.260 121.030 2.230 25484 4691 1 10 . 1 1 87 87 ILE HA H 87 4.220 4.220 4.002 0.218 25484 4692 1 10 . 1 1 87 87 ILE CA C 87 61.850 61.850 61.991 -0.141 25484 4693 1 10 . 1 1 87 87 ILE CB C 87 41.330 41.330 38.786 2.544 25484 4694 1 10 . 1 1 87 87 ILE H H 87 7.160 7.160 8.584 -1.424 25484 4695 1 10 . 1 1 88 88 LYS HA H 88 4.450 4.450 4.402 0.048 25484 4696 1 10 . 1 1 88 88 LYS CA C 88 54.530 54.530 55.449 -0.919 25484 4697 1 10 . 1 1 88 88 LYS CB C 88 31.450 31.450 30.859 0.591 25484 4698 1 10 . 1 1 89 89 GLN HA H 89 4.450 4.450 4.483 -0.033 25484 4699 1 10 . 1 1 89 89 GLN CA C 89 56.210 56.210 54.804 1.406 25484 4700 1 10 . 1 1 89 89 GLN CB C 89 29.250 29.250 29.752 -0.502 25484 4701 1 11 . 1 1 2 2 THR HA H 2 4.415 4.415 4.376 0.039 25484 4702 1 11 . 1 1 2 2 THR C C 2 174.580 174.580 174.669 -0.089 25484 4703 1 11 . 1 1 2 2 THR CA C 2 62.450 62.450 63.331 -0.881 25484 4704 1 11 . 1 1 2 2 THR CB C 2 70.050 70.050 69.609 0.441 25484 4705 1 11 . 1 1 3 3 GLN N N 3 123.423 123.423 119.639 3.784 25484 4706 1 11 . 1 1 3 3 GLN HA H 3 4.480 4.480 4.625 -0.145 25484 4707 1 11 . 1 1 3 3 GLN C C 3 176.040 176.040 175.218 0.822 25484 4708 1 11 . 1 1 3 3 GLN CA C 3 55.950 55.950 55.740 0.210 25484 4709 1 11 . 1 1 3 3 GLN CB C 3 30.550 30.550 29.660 0.890 25484 4710 1 11 . 1 1 3 3 GLN H H 3 8.536 8.536 8.307 0.229 25484 4711 1 11 . 1 1 4 4 SER N N 4 119.390 119.390 118.400 0.990 25484 4712 1 11 . 1 1 4 4 SER HA H 4 4.834 4.834 4.696 0.138 25484 4713 1 11 . 1 1 4 4 SER C C 4 173.640 173.640 173.828 -0.188 25484 4714 1 11 . 1 1 4 4 SER CA C 4 56.250 56.250 60.419 -4.169 25484 4715 1 11 . 1 1 4 4 SER CB C 4 63.400 63.400 62.040 1.360 25484 4716 1 11 . 1 1 4 4 SER H H 4 8.150 8.150 8.582 -0.432 25484 4717 1 11 . 1 1 5 5 PRO HA H 5 4.480 4.480 4.430 0.050 25484 4718 1 11 . 1 1 5 5 PRO C C 5 178.180 178.180 176.160 2.020 25484 4719 1 11 . 1 1 5 5 PRO CA C 5 64.040 64.040 63.403 0.637 25484 4720 1 11 . 1 1 5 5 PRO CB C 5 32.120 32.120 31.977 0.143 25484 4721 1 11 . 1 1 6 6 GLY N N 6 108.600 108.600 106.123 2.477 25484 4722 1 11 . 1 1 6 6 GLY C C 6 174.930 174.930 174.404 0.526 25484 4723 1 11 . 1 1 6 6 GLY CA C 6 45.750 45.750 44.604 1.146 25484 4724 1 11 . 1 1 6 6 GLY H H 6 8.470 8.470 7.620 0.850 25484 4725 1 11 . 1 1 7 7 ASP N N 7 121.260 121.260 123.255 -1.995 25484 4726 1 11 . 1 1 7 7 ASP HA H 7 4.660 4.660 4.322 0.338 25484 4727 1 11 . 1 1 7 7 ASP C C 7 177.580 177.580 177.036 0.544 25484 4728 1 11 . 1 1 7 7 ASP CA C 7 55.200 55.200 57.535 -2.335 25484 4729 1 11 . 1 1 7 7 ASP CB C 7 41.400 41.400 40.971 0.429 25484 4730 1 11 . 1 1 7 7 ASP H H 7 8.130 8.130 8.456 -0.326 25484 4731 1 11 . 1 1 8 8 SER N N 8 116.818 116.818 114.774 2.044 25484 4732 1 11 . 1 1 8 8 SER HA H 8 4.340 4.340 4.273 0.067 25484 4733 1 11 . 1 1 8 8 SER C C 8 176.310 176.310 176.851 -0.541 25484 4734 1 11 . 1 1 8 8 SER CA C 8 60.050 60.050 61.297 -1.247 25484 4735 1 11 . 1 1 8 8 SER CB C 8 63.190 63.190 62.928 0.262 25484 4736 1 11 . 1 1 8 8 SER H H 8 8.372 8.372 8.588 -0.216 25484 4737 1 11 . 1 1 9 9 ARG N N 9 123.150 123.150 122.417 0.733 25484 4738 1 11 . 1 1 9 9 ARG HA H 9 4.260 4.260 4.176 0.084 25484 4739 1 11 . 1 1 9 9 ARG C C 9 177.710 177.710 178.642 -0.932 25484 4740 1 11 . 1 1 9 9 ARG CA C 9 58.050 58.050 58.271 -0.221 25484 4741 1 11 . 1 1 9 9 ARG CB C 9 30.350 30.350 29.853 0.497 25484 4742 1 11 . 1 1 9 9 ARG H H 9 8.308 8.308 7.525 0.783 25484 4743 1 11 . 1 1 10 10 ARG N N 10 119.940 119.940 119.953 -0.013 25484 4744 1 11 . 1 1 10 10 ARG HA H 10 4.110 4.110 4.093 0.017 25484 4745 1 11 . 1 1 10 10 ARG C C 10 178.180 178.180 178.778 -0.598 25484 4746 1 11 . 1 1 10 10 ARG CA C 10 58.420 58.420 58.583 -0.163 25484 4747 1 11 . 1 1 10 10 ARG CB C 10 30.260 30.260 29.781 0.479 25484 4748 1 11 . 1 1 10 10 ARG H H 10 8.075 8.075 8.371 -0.296 25484 4749 1 11 . 1 1 11 11 LEU N N 11 121.060 121.060 120.288 0.772 25484 4750 1 11 . 1 1 11 11 LEU HA H 11 4.225 4.225 4.091 0.134 25484 4751 1 11 . 1 1 11 11 LEU C C 11 179.950 179.950 178.808 1.142 25484 4752 1 11 . 1 1 11 11 LEU CA C 11 57.450 57.450 57.934 -0.484 25484 4753 1 11 . 1 1 11 11 LEU CB C 11 41.910 41.910 41.342 0.568 25484 4754 1 11 . 1 1 11 11 LEU H H 11 8.160 8.160 8.599 -0.439 25484 4755 1 11 . 1 1 12 12 SER N N 12 116.470 116.470 115.316 1.154 25484 4756 1 11 . 1 1 12 12 SER HA H 12 4.317 4.317 4.196 0.121 25484 4757 1 11 . 1 1 12 12 SER C C 12 176.960 176.960 176.542 0.418 25484 4758 1 11 . 1 1 12 12 SER CA C 12 60.760 60.760 61.659 -0.899 25484 4759 1 11 . 1 1 12 12 SER CB C 12 63.350 63.350 62.874 0.476 25484 4760 1 11 . 1 1 12 12 SER H H 12 8.179 8.179 7.710 0.469 25484 4761 1 11 . 1 1 13 13 ILE N N 13 123.740 123.740 122.251 1.489 25484 4762 1 11 . 1 1 13 13 ILE HA H 13 3.690 3.690 3.777 -0.087 25484 4763 1 11 . 1 1 13 13 ILE C C 13 177.660 177.660 177.710 -0.050 25484 4764 1 11 . 1 1 13 13 ILE CA C 13 64.930 64.930 64.658 0.272 25484 4765 1 11 . 1 1 13 13 ILE CB C 13 37.650 37.650 37.570 0.080 25484 4766 1 11 . 1 1 13 13 ILE H H 13 8.130 8.130 7.429 0.701 25484 4767 1 11 . 1 1 14 14 GLN N N 14 119.220 119.220 119.978 -0.758 25484 4768 1 11 . 1 1 14 14 GLN HA H 14 4.040 4.040 3.831 0.209 25484 4769 1 11 . 1 1 14 14 GLN C C 14 179.490 179.490 178.654 0.836 25484 4770 1 11 . 1 1 14 14 GLN CA C 14 59.750 59.750 59.922 -0.172 25484 4771 1 11 . 1 1 14 14 GLN CB C 14 27.730 27.730 28.357 -0.627 25484 4772 1 11 . 1 1 14 14 GLN H H 14 8.113 8.113 8.835 -0.722 25484 4773 1 11 . 1 1 15 15 ARG N N 15 119.160 119.160 118.345 0.815 25484 4774 1 11 . 1 1 15 15 ARG HA H 15 4.150 4.150 4.080 0.070 25484 4775 1 11 . 1 1 15 15 ARG C C 15 179.460 179.460 178.264 1.196 25484 4776 1 11 . 1 1 15 15 ARG CA C 15 59.150 59.150 59.381 -0.231 25484 4777 1 11 . 1 1 15 15 ARG CB C 15 30.090 30.090 30.014 0.076 25484 4778 1 11 . 1 1 15 15 ARG H H 15 8.200 8.200 7.995 0.205 25484 4779 1 11 . 1 1 16 16 ALA N N 16 124.140 124.140 123.828 0.312 25484 4780 1 11 . 1 1 16 16 ALA HA H 16 3.990 3.990 4.171 -0.181 25484 4781 1 11 . 1 1 16 16 ALA C C 16 180.230 180.230 179.878 0.352 25484 4782 1 11 . 1 1 16 16 ALA CA C 16 55.550 55.550 54.979 0.571 25484 4783 1 11 . 1 1 16 16 ALA CB C 16 18.750 18.750 18.618 0.132 25484 4784 1 11 . 1 1 16 16 ALA H H 16 8.071 8.071 7.511 0.560 25484 4785 1 11 . 1 1 17 17 ILE N N 17 118.180 118.180 119.558 -1.378 25484 4786 1 11 . 1 1 17 17 ILE HA H 17 3.712 3.712 3.510 0.202 25484 4787 1 11 . 1 1 17 17 ILE C C 17 178.210 178.210 177.988 0.222 25484 4788 1 11 . 1 1 17 17 ILE CA C 17 64.870 64.870 65.932 -1.062 25484 4789 1 11 . 1 1 17 17 ILE CB C 17 37.640 37.640 38.021 -0.381 25484 4790 1 11 . 1 1 17 17 ILE H H 17 8.534 8.534 8.858 -0.324 25484 4791 1 11 . 1 1 18 18 GLN N N 18 118.960 118.960 119.318 -0.358 25484 4792 1 11 . 1 1 18 18 GLN HA H 18 4.134 4.134 3.932 0.202 25484 4793 1 11 . 1 1 18 18 GLN C C 18 180.050 180.050 178.960 1.090 25484 4794 1 11 . 1 1 18 18 GLN CA C 18 59.340 59.340 59.450 -0.110 25484 4795 1 11 . 1 1 18 18 GLN CB C 18 28.030 28.030 28.453 -0.423 25484 4796 1 11 . 1 1 18 18 GLN H H 18 8.200 8.200 8.831 -0.631 25484 4797 1 11 . 1 1 19 19 SER N N 19 116.320 116.320 116.396 -0.076 25484 4798 1 11 . 1 1 19 19 SER HA H 19 4.388 4.388 4.212 0.176 25484 4799 1 11 . 1 1 19 19 SER C C 19 176.460 176.460 176.132 0.328 25484 4800 1 11 . 1 1 19 19 SER CA C 19 62.250 62.250 62.354 -0.104 25484 4801 1 11 . 1 1 19 19 SER CB C 19 63.270 63.270 63.133 0.137 25484 4802 1 11 . 1 1 19 19 SER H H 19 8.190 8.190 8.073 0.117 25484 4803 1 11 . 1 1 20 20 LEU N N 20 125.540 125.540 124.444 1.096 25484 4804 1 11 . 1 1 20 20 LEU HA H 20 4.075 4.075 3.984 0.091 25484 4805 1 11 . 1 1 20 20 LEU C C 20 177.640 177.640 178.414 -0.774 25484 4806 1 11 . 1 1 20 20 LEU CA C 20 58.750 58.750 58.433 0.317 25484 4807 1 11 . 1 1 20 20 LEU CB C 20 42.390 42.390 41.925 0.465 25484 4808 1 11 . 1 1 20 20 LEU H H 20 8.290 8.290 8.140 0.150 25484 4809 1 11 . 1 1 21 21 VAL N N 21 118.690 118.690 117.695 0.995 25484 4810 1 11 . 1 1 21 21 VAL HA H 21 3.356 3.356 3.530 -0.174 25484 4811 1 11 . 1 1 21 21 VAL C C 21 178.770 178.770 178.072 0.698 25484 4812 1 11 . 1 1 21 21 VAL CA C 21 66.850 66.850 67.355 -0.505 25484 4813 1 11 . 1 1 21 21 VAL CB C 21 31.450 31.450 31.009 0.441 25484 4814 1 11 . 1 1 21 21 VAL H H 21 8.532 8.532 8.977 -0.445 25484 4815 1 11 . 1 1 22 22 HIS N N 22 116.230 116.230 119.988 -3.758 25484 4816 1 11 . 1 1 22 22 HIS HA H 22 4.230 4.230 4.280 -0.050 25484 4817 1 11 . 1 1 22 22 HIS C C 22 178.420 178.420 176.966 1.454 25484 4818 1 11 . 1 1 22 22 HIS CA C 22 59.980 59.980 60.159 -0.179 25484 4819 1 11 . 1 1 22 22 HIS CB C 22 27.830 27.830 29.837 -2.007 25484 4820 1 11 . 1 1 22 22 HIS H H 22 7.980 7.980 7.840 0.140 25484 4821 1 11 . 1 1 23 23 ALA N N 23 121.520 121.520 120.768 0.752 25484 4822 1 11 . 1 1 23 23 ALA HA H 23 4.225 4.225 4.253 -0.028 25484 4823 1 11 . 1 1 23 23 ALA C C 23 179.540 179.540 178.232 1.308 25484 4824 1 11 . 1 1 23 23 ALA CA C 23 55.250 55.250 54.475 0.775 25484 4825 1 11 . 1 1 23 23 ALA CB C 23 19.550 19.550 18.645 0.905 25484 4826 1 11 . 1 1 23 23 ALA H H 23 8.640 8.640 8.455 0.185 25484 4827 1 11 . 1 1 24 24 ALA N N 24 116.860 116.860 119.793 -2.933 25484 4828 1 11 . 1 1 24 24 ALA HA H 24 4.100 4.100 4.095 0.005 25484 4829 1 11 . 1 1 24 24 ALA C C 24 178.130 178.130 179.287 -1.157 25484 4830 1 11 . 1 1 24 24 ALA CA C 24 54.090 54.090 54.285 -0.195 25484 4831 1 11 . 1 1 24 24 ALA CB C 24 18.750 18.750 18.985 -0.235 25484 4832 1 11 . 1 1 24 24 ALA H H 24 8.260 8.260 7.758 0.502 25484 4833 1 11 . 1 1 25 25 GLN N N 25 112.450 112.450 117.433 -4.983 25484 4834 1 11 . 1 1 25 25 GLN HA H 25 4.495 4.495 4.172 0.323 25484 4835 1 11 . 1 1 25 25 GLN C C 25 174.940 174.940 176.180 -1.240 25484 4836 1 11 . 1 1 25 25 GLN CA C 25 54.650 54.650 56.622 -1.972 25484 4837 1 11 . 1 1 25 25 GLN CB C 25 30.650 30.650 30.029 0.621 25484 4838 1 11 . 1 1 25 25 GLN H H 25 7.260 7.260 8.120 -0.860 25484 4839 1 11 . 1 1 26 26 CYS N N 26 124.510 124.510 120.289 4.221 25484 4840 1 11 . 1 1 26 26 CYS HA H 26 3.915 3.915 4.196 -0.281 25484 4841 1 11 . 1 1 26 26 CYS C C 26 176.690 176.690 173.770 2.920 25484 4842 1 11 . 1 1 26 26 CYS CA C 26 60.980 60.980 59.081 1.899 25484 4843 1 11 . 1 1 26 26 CYS CB C 26 29.350 29.350 28.327 1.023 25484 4844 1 11 . 1 1 26 26 CYS H H 26 7.365 7.365 8.295 -0.930 25484 4845 1 11 . 1 1 27 27 ARG N N 27 129.870 129.870 127.069 2.801 25484 4846 1 11 . 1 1 27 27 ARG HA H 27 4.635 4.635 4.516 0.119 25484 4847 1 11 . 1 1 27 27 ARG C C 27 175.660 175.660 174.507 1.153 25484 4848 1 11 . 1 1 27 27 ARG CA C 27 54.550 54.550 54.923 -0.373 25484 4849 1 11 . 1 1 27 27 ARG CB C 27 30.350 30.350 29.146 1.204 25484 4850 1 11 . 1 1 27 27 ARG H H 27 8.880 8.880 8.471 0.409 25484 4851 1 11 . 1 1 28 28 ASN N N 28 120.810 120.810 122.365 -1.555 25484 4852 1 11 . 1 1 28 28 ASN HA H 28 4.870 4.870 4.828 0.042 25484 4853 1 11 . 1 1 28 28 ASN C C 28 176.120 176.120 175.189 0.931 25484 4854 1 11 . 1 1 28 28 ASN CA C 28 51.930 51.930 53.111 -1.181 25484 4855 1 11 . 1 1 28 28 ASN CB C 28 39.060 39.060 40.105 -1.045 25484 4856 1 11 . 1 1 28 28 ASN H H 28 7.980 7.980 8.296 -0.316 25484 4857 1 11 . 1 1 29 29 ALA N N 29 130.470 130.470 126.806 3.664 25484 4858 1 11 . 1 1 29 29 ALA HA H 29 4.133 4.133 4.206 -0.073 25484 4859 1 11 . 1 1 29 29 ALA C C 29 178.380 178.380 177.091 1.289 25484 4860 1 11 . 1 1 29 29 ALA CA C 29 54.290 54.290 54.097 0.193 25484 4861 1 11 . 1 1 29 29 ALA CB C 29 18.370 18.370 19.202 -0.832 25484 4862 1 11 . 1 1 29 29 ALA H H 29 9.134 9.134 8.554 0.580 25484 4863 1 11 . 1 1 30 30 ASN N N 30 114.590 114.590 114.207 0.383 25484 4864 1 11 . 1 1 30 30 ASN HA H 30 4.875 4.875 4.900 -0.025 25484 4865 1 11 . 1 1 30 30 ASN C C 30 174.530 174.530 174.542 -0.012 25484 4866 1 11 . 1 1 30 30 ASN CA C 30 51.930 51.930 52.022 -0.092 25484 4867 1 11 . 1 1 30 30 ASN CB C 30 38.910 38.910 38.865 0.045 25484 4868 1 11 . 1 1 30 30 ASN H H 30 8.114 8.114 8.044 0.070 25484 4869 1 11 . 1 1 31 31 CYS N N 31 123.270 123.270 122.897 0.373 25484 4870 1 11 . 1 1 31 31 CYS HA H 31 4.050 4.050 4.238 -0.188 25484 4871 1 11 . 1 1 31 31 CYS C C 31 177.170 177.170 174.298 2.872 25484 4872 1 11 . 1 1 31 31 CYS CA C 31 61.880 61.880 60.578 1.302 25484 4873 1 11 . 1 1 31 31 CYS CB C 31 30.010 30.010 28.720 1.290 25484 4874 1 11 . 1 1 31 31 CYS H H 31 7.210 7.210 7.543 -0.333 25484 4875 1 11 . 1 1 32 32 SER N N 32 124.300 124.300 123.091 1.209 25484 4876 1 11 . 1 1 32 32 SER HA H 32 4.609 4.609 4.622 -0.013 25484 4877 1 11 . 1 1 32 32 SER C C 32 175.020 175.020 173.350 1.670 25484 4878 1 11 . 1 1 32 32 SER CA C 32 58.010 58.010 56.853 1.157 25484 4879 1 11 . 1 1 32 32 SER CB C 32 64.120 64.120 62.574 1.546 25484 4880 1 11 . 1 1 32 32 SER H H 32 8.767 8.767 8.318 0.449 25484 4881 1 11 . 1 1 33 33 LEU N N 33 128.860 128.860 126.754 2.106 25484 4882 1 11 . 1 1 33 33 LEU HA H 33 4.538 4.538 4.840 -0.302 25484 4883 1 11 . 1 1 33 33 LEU C C 33 177.230 177.230 175.559 1.671 25484 4884 1 11 . 1 1 33 33 LEU CA C 33 54.450 54.450 52.153 2.297 25484 4885 1 11 . 1 1 33 33 LEU CB C 33 40.970 40.970 42.733 -1.763 25484 4886 1 11 . 1 1 33 33 LEU H H 33 8.546 8.546 7.700 0.846 25484 4887 1 11 . 1 1 34 34 PRO HA H 34 4.370 4.370 4.387 -0.017 25484 4888 1 11 . 1 1 34 34 PRO C C 34 178.640 178.640 178.578 0.062 25484 4889 1 11 . 1 1 34 34 PRO CA C 34 65.530 65.530 65.473 0.057 25484 4890 1 11 . 1 1 34 34 PRO CB C 34 31.970 31.970 31.921 0.049 25484 4891 1 11 . 1 1 35 35 SER N N 35 111.940 111.940 113.959 -2.019 25484 4892 1 11 . 1 1 35 35 SER HA H 35 4.127 4.127 4.277 -0.150 25484 4893 1 11 . 1 1 35 35 SER C C 35 174.750 174.750 176.504 -1.754 25484 4894 1 11 . 1 1 35 35 SER CA C 35 60.100 60.100 61.268 -1.168 25484 4895 1 11 . 1 1 35 35 SER CB C 35 62.910 62.910 62.743 0.167 25484 4896 1 11 . 1 1 35 35 SER H H 35 8.350 8.350 8.616 -0.266 25484 4897 1 11 . 1 1 36 36 CYS N N 36 125.790 125.790 122.351 3.439 25484 4898 1 11 . 1 1 36 36 CYS HA H 36 4.215 4.215 4.046 0.169 25484 4899 1 11 . 1 1 36 36 CYS C C 36 177.070 177.070 176.201 0.869 25484 4900 1 11 . 1 1 36 36 CYS CA C 36 63.900 63.900 62.431 1.469 25484 4901 1 11 . 1 1 36 36 CYS CB C 36 29.650 29.650 27.317 2.333 25484 4902 1 11 . 1 1 36 36 CYS H H 36 7.490 7.490 8.399 -0.909 25484 4903 1 11 . 1 1 37 37 GLN N N 37 115.860 115.860 119.019 -3.159 25484 4904 1 11 . 1 1 37 37 GLN HA H 37 4.010 4.010 3.805 0.205 25484 4905 1 11 . 1 1 37 37 GLN C C 37 179.690 179.690 178.282 1.408 25484 4906 1 11 . 1 1 37 37 GLN CA C 37 59.980 59.980 59.264 0.716 25484 4907 1 11 . 1 1 37 37 GLN CB C 37 27.820 27.820 28.194 -0.374 25484 4908 1 11 . 1 1 37 37 GLN H H 37 8.170 8.170 8.548 -0.378 25484 4909 1 11 . 1 1 38 38 LYS N N 38 117.470 117.470 119.690 -2.220 25484 4910 1 11 . 1 1 38 38 LYS HA H 38 4.060 4.060 3.994 0.066 25484 4911 1 11 . 1 1 38 38 LYS C C 38 179.230 179.230 179.380 -0.150 25484 4912 1 11 . 1 1 38 38 LYS CA C 38 59.450 59.450 59.265 0.185 25484 4913 1 11 . 1 1 38 38 LYS CB C 38 32.650 32.650 32.207 0.443 25484 4914 1 11 . 1 1 38 38 LYS H H 38 7.920 7.920 7.971 -0.051 25484 4915 1 11 . 1 1 39 39 MET N N 39 118.050 118.050 118.152 -0.102 25484 4916 1 11 . 1 1 39 39 MET HA H 39 4.559 4.559 4.151 0.408 25484 4917 1 11 . 1 1 39 39 MET C C 39 179.720 179.720 178.386 1.334 25484 4918 1 11 . 1 1 39 39 MET CA C 39 57.250 57.250 58.223 -0.973 25484 4919 1 11 . 1 1 39 39 MET CB C 39 32.550 32.550 32.087 0.463 25484 4920 1 11 . 1 1 39 39 MET H H 39 8.370 8.370 7.761 0.609 25484 4921 1 11 . 1 1 40 40 LYS N N 40 121.630 121.630 120.751 0.879 25484 4922 1 11 . 1 1 40 40 LYS HA H 40 3.840 3.840 4.081 -0.241 25484 4923 1 11 . 1 1 40 40 LYS C C 40 180.150 180.150 179.154 0.996 25484 4924 1 11 . 1 1 40 40 LYS CA C 40 61.520 61.520 60.230 1.290 25484 4925 1 11 . 1 1 40 40 LYS CB C 40 32.620 32.620 32.346 0.274 25484 4926 1 11 . 1 1 40 40 LYS H H 40 9.490 9.490 8.650 0.840 25484 4927 1 11 . 1 1 41 41 ARG N N 41 118.300 118.300 118.173 0.127 25484 4928 1 11 . 1 1 41 41 ARG HA H 41 4.180 4.180 4.152 0.028 25484 4929 1 11 . 1 1 41 41 ARG C C 41 180.080 180.080 178.089 1.991 25484 4930 1 11 . 1 1 41 41 ARG CA C 41 59.750 59.750 58.754 0.996 25484 4931 1 11 . 1 1 41 41 ARG CB C 41 30.010 30.010 30.208 -0.198 25484 4932 1 11 . 1 1 41 41 ARG H H 41 7.610 7.610 8.374 -0.764 25484 4933 1 11 . 1 1 42 42 VAL N N 42 121.750 121.750 120.534 1.216 25484 4934 1 11 . 1 1 42 42 VAL HA H 42 3.745 3.745 3.982 -0.237 25484 4935 1 11 . 1 1 42 42 VAL C C 42 178.130 178.130 177.615 0.515 25484 4936 1 11 . 1 1 42 42 VAL CA C 42 66.760 66.760 65.507 1.253 25484 4937 1 11 . 1 1 42 42 VAL CB C 42 31.520 31.520 32.554 -1.034 25484 4938 1 11 . 1 1 42 42 VAL H H 42 7.760 7.760 7.822 -0.062 25484 4939 1 11 . 1 1 43 43 VAL N N 43 120.580 120.580 121.959 -1.379 25484 4940 1 11 . 1 1 43 43 VAL HA H 43 3.531 3.531 3.521 0.010 25484 4941 1 11 . 1 1 43 43 VAL C C 43 179.310 179.310 178.242 1.068 25484 4942 1 11 . 1 1 43 43 VAL CA C 43 67.120 67.120 67.461 -0.341 25484 4943 1 11 . 1 1 43 43 VAL CB C 43 31.510 31.510 31.561 -0.051 25484 4944 1 11 . 1 1 43 43 VAL H H 43 8.500 8.500 8.677 -0.177 25484 4945 1 11 . 1 1 44 44 GLN N N 44 119.280 119.280 116.473 2.807 25484 4946 1 11 . 1 1 44 44 GLN HA H 44 4.010 4.010 4.079 -0.069 25484 4947 1 11 . 1 1 44 44 GLN C C 44 179.330 179.330 178.396 0.934 25484 4948 1 11 . 1 1 44 44 GLN CA C 44 59.060 59.060 58.520 0.540 25484 4949 1 11 . 1 1 44 44 GLN CB C 44 28.030 28.030 28.069 -0.039 25484 4950 1 11 . 1 1 44 44 GLN H H 44 8.400 8.400 8.652 -0.252 25484 4951 1 11 . 1 1 45 45 HIS N N 45 119.160 119.160 120.186 -1.026 25484 4952 1 11 . 1 1 45 45 HIS HA H 45 4.283 4.283 4.337 -0.054 25484 4953 1 11 . 1 1 45 45 HIS C C 45 178.250 178.250 177.156 1.094 25484 4954 1 11 . 1 1 45 45 HIS CA C 45 59.950 59.950 59.659 0.291 25484 4955 1 11 . 1 1 45 45 HIS CB C 45 27.150 27.150 29.952 -2.802 25484 4956 1 11 . 1 1 45 45 HIS H H 45 8.190 8.190 8.008 0.182 25484 4957 1 11 . 1 1 46 46 THR N N 46 111.110 111.110 114.805 -3.695 25484 4958 1 11 . 1 1 46 46 THR HA H 46 3.859 3.859 4.022 -0.163 25484 4959 1 11 . 1 1 46 46 THR C C 46 176.350 176.350 177.466 -1.116 25484 4960 1 11 . 1 1 46 46 THR CA C 46 65.670 65.670 66.358 -0.688 25484 4961 1 11 . 1 1 46 46 THR CB C 46 69.190 69.190 68.877 0.313 25484 4962 1 11 . 1 1 46 46 THR H H 46 7.980 7.980 8.399 -0.419 25484 4963 1 11 . 1 1 47 47 LYS N N 47 120.510 120.510 120.583 -0.073 25484 4964 1 11 . 1 1 47 47 LYS HA H 47 4.090 4.090 4.167 -0.077 25484 4965 1 11 . 1 1 47 47 LYS C C 47 178.150 178.150 178.662 -0.512 25484 4966 1 11 . 1 1 47 47 LYS CA C 47 58.750 58.750 58.464 0.286 25484 4967 1 11 . 1 1 47 47 LYS CB C 47 32.360 32.360 32.331 0.029 25484 4968 1 11 . 1 1 47 47 LYS H H 47 7.410 7.410 7.650 -0.240 25484 4969 1 11 . 1 1 48 48 GLY N N 48 104.210 104.210 105.657 -1.447 25484 4970 1 11 . 1 1 48 48 GLY C C 48 174.220 174.220 174.518 -0.298 25484 4971 1 11 . 1 1 48 48 GLY CA C 48 44.753 44.753 45.238 -0.485 25484 4972 1 11 . 1 1 48 48 GLY H H 48 7.180 7.180 7.997 -0.817 25484 4973 1 11 . 1 1 49 49 CYS N N 49 123.560 123.560 121.760 1.800 25484 4974 1 11 . 1 1 49 49 CYS HA H 49 4.010 4.010 4.404 -0.394 25484 4975 1 11 . 1 1 49 49 CYS C C 49 177.230 177.230 175.051 2.179 25484 4976 1 11 . 1 1 49 49 CYS CA C 49 61.230 61.230 58.405 2.825 25484 4977 1 11 . 1 1 49 49 CYS CB C 49 29.850 29.850 26.854 2.996 25484 4978 1 11 . 1 1 49 49 CYS H H 49 6.981 6.981 8.014 -1.033 25484 4979 1 11 . 1 1 50 50 LYS N N 50 128.350 128.350 123.825 4.525 25484 4980 1 11 . 1 1 50 50 LYS HA H 50 4.524 4.524 4.036 0.488 25484 4981 1 11 . 1 1 50 50 LYS C C 50 178.040 178.040 177.773 0.267 25484 4982 1 11 . 1 1 50 50 LYS CA C 50 56.750 56.750 59.578 -2.828 25484 4983 1 11 . 1 1 50 50 LYS CB C 50 32.950 32.950 32.170 0.780 25484 4984 1 11 . 1 1 50 50 LYS H H 50 8.999 8.999 8.389 0.610 25484 4985 1 11 . 1 1 51 51 ARG N N 51 122.550 122.550 117.876 4.674 25484 4986 1 11 . 1 1 51 51 ARG HA H 51 4.428 4.428 4.142 0.286 25484 4987 1 11 . 1 1 51 51 ARG C C 51 177.410 177.410 177.577 -0.167 25484 4988 1 11 . 1 1 51 51 ARG CA C 51 57.750 57.750 56.906 0.844 25484 4989 1 11 . 1 1 51 51 ARG CB C 51 31.860 31.860 29.000 2.861 25484 4990 1 11 . 1 1 51 51 ARG H H 51 8.558 8.558 8.261 0.297 25484 4991 1 11 . 1 1 52 52 LYS N N 52 119.040 119.040 119.788 -0.748 25484 4992 1 11 . 1 1 52 52 LYS HA H 52 4.534 4.534 4.016 0.518 25484 4993 1 11 . 1 1 52 52 LYS C C 52 177.610 177.610 178.606 -0.996 25484 4994 1 11 . 1 1 52 52 LYS CA C 52 57.970 57.970 59.816 -1.846 25484 4995 1 11 . 1 1 52 52 LYS CB C 52 32.350 32.350 32.073 0.277 25484 4996 1 11 . 1 1 52 52 LYS H H 52 8.490 8.490 8.243 0.247 25484 4997 1 11 . 1 1 53 53 THR N N 53 113.034 113.034 108.499 4.535 25484 4998 1 11 . 1 1 53 53 THR HA H 53 4.160 4.160 4.229 -0.069 25484 4999 1 11 . 1 1 53 53 THR C C 53 175.610 175.610 176.613 -1.003 25484 5000 1 11 . 1 1 53 53 THR CA C 53 64.050 64.050 64.487 -0.437 25484 5001 1 11 . 1 1 53 53 THR CB C 53 69.120 69.120 68.367 0.753 25484 5002 1 11 . 1 1 53 53 THR H H 53 7.760 7.760 8.130 -0.370 25484 5003 1 11 . 1 1 54 54 ASN N N 54 119.860 119.860 121.748 -1.888 25484 5004 1 11 . 1 1 54 54 ASN HA H 54 4.920 4.920 4.501 0.419 25484 5005 1 11 . 1 1 54 54 ASN C C 54 176.330 176.330 176.521 -0.191 25484 5006 1 11 . 1 1 54 54 ASN CA C 54 53.720 53.720 55.870 -2.150 25484 5007 1 11 . 1 1 54 54 ASN CB C 54 38.350 38.350 38.782 -0.432 25484 5008 1 11 . 1 1 54 54 ASN H H 54 8.290 8.290 7.892 0.398 25484 5009 1 11 . 1 1 55 55 GLY N N 55 107.570 107.570 104.287 3.283 25484 5010 1 11 . 1 1 55 55 GLY C C 55 175.660 175.660 174.289 1.371 25484 5011 1 11 . 1 1 55 55 GLY CA C 55 45.938 45.938 44.217 1.721 25484 5012 1 11 . 1 1 55 55 GLY H H 55 8.006 8.006 7.568 0.438 25484 5013 1 11 . 1 1 56 56 GLY N N 56 107.290 107.290 108.691 -1.401 25484 5014 1 11 . 1 1 56 56 GLY C C 56 173.710 173.710 174.938 -1.228 25484 5015 1 11 . 1 1 56 56 GLY CA C 56 45.570 45.570 45.471 0.099 25484 5016 1 11 . 1 1 56 56 GLY H H 56 7.840 7.840 7.477 0.363 25484 5017 1 11 . 1 1 57 57 CYS N N 57 122.730 122.730 120.916 1.814 25484 5018 1 11 . 1 1 57 57 CYS HA H 57 4.505 4.505 4.865 -0.360 25484 5019 1 11 . 1 1 57 57 CYS C C 57 175.090 175.090 173.280 1.810 25484 5020 1 11 . 1 1 57 57 CYS CA C 57 55.950 55.950 55.164 0.786 25484 5021 1 11 . 1 1 57 57 CYS CB C 57 30.760 30.760 27.829 2.931 25484 5022 1 11 . 1 1 57 57 CYS H H 57 8.048 8.048 7.920 0.128 25484 5023 1 11 . 1 1 58 58 PRO HA H 58 4.338 4.338 4.683 -0.345 25484 5024 1 11 . 1 1 58 58 PRO CA C 58 65.050 65.050 62.732 2.318 25484 5025 1 11 . 1 1 58 58 PRO CB C 58 32.620 32.620 30.507 2.113 25484 5026 1 11 . 1 1 59 59 ILE N N 59 121.256 121.256 123.573 -2.317 25484 5027 1 11 . 1 1 59 59 ILE HA H 59 3.818 3.818 4.223 -0.405 25484 5028 1 11 . 1 1 59 59 ILE C C 59 178.820 178.820 176.173 2.647 25484 5029 1 11 . 1 1 59 59 ILE CA C 59 64.590 64.590 62.686 1.904 25484 5030 1 11 . 1 1 59 59 ILE CB C 59 38.890 38.890 39.057 -0.167 25484 5031 1 11 . 1 1 59 59 ILE H H 59 7.900 7.900 8.734 -0.834 25484 5032 1 11 . 1 1 60 60 CYS N N 60 123.970 123.970 119.459 4.511 25484 5033 1 11 . 1 1 60 60 CYS HA H 60 4.117 4.117 4.123 -0.006 25484 5034 1 11 . 1 1 60 60 CYS C C 60 178.110 178.110 176.716 1.394 25484 5035 1 11 . 1 1 60 60 CYS CA C 60 66.090 66.090 63.765 2.325 25484 5036 1 11 . 1 1 60 60 CYS CB C 60 29.150 29.150 27.087 2.063 25484 5037 1 11 . 1 1 60 60 CYS H H 60 8.914 8.914 8.377 0.537 25484 5038 1 11 . 1 1 61 61 LYS N N 61 117.210 117.210 120.014 -2.804 25484 5039 1 11 . 1 1 61 61 LYS HA H 61 3.910 3.910 4.024 -0.114 25484 5040 1 11 . 1 1 61 61 LYS C C 61 179.460 179.460 178.110 1.350 25484 5041 1 11 . 1 1 61 61 LYS CA C 61 59.970 59.970 59.487 0.483 25484 5042 1 11 . 1 1 61 61 LYS CB C 61 32.650 32.650 32.334 0.316 25484 5043 1 11 . 1 1 61 61 LYS H H 61 8.090 8.090 8.238 -0.148 25484 5044 1 11 . 1 1 62 62 GLN N N 62 117.780 117.780 119.099 -1.319 25484 5045 1 11 . 1 1 62 62 GLN HA H 62 4.203 4.203 4.062 0.141 25484 5046 1 11 . 1 1 62 62 GLN C C 62 178.564 178.564 178.733 -0.169 25484 5047 1 11 . 1 1 62 62 GLN CA C 62 58.450 58.450 58.249 0.201 25484 5048 1 11 . 1 1 62 62 GLN CB C 62 29.140 29.140 28.867 0.272 25484 5049 1 11 . 1 1 62 62 GLN H H 62 7.360 7.360 7.550 -0.190 25484 5050 1 11 . 1 1 63 63 LEU N N 63 119.930 119.930 122.984 -3.054 25484 5051 1 11 . 1 1 63 63 LEU HA H 63 4.218 4.218 4.137 0.081 25484 5052 1 11 . 1 1 63 63 LEU C C 63 179.440 179.440 177.826 1.614 25484 5053 1 11 . 1 1 63 63 LEU CA C 63 58.550 58.550 57.559 0.991 25484 5054 1 11 . 1 1 63 63 LEU CB C 63 41.910 41.910 41.895 0.015 25484 5055 1 11 . 1 1 63 63 LEU H H 63 8.075 8.075 8.777 -0.702 25484 5056 1 11 . 1 1 64 64 ILE N N 64 120.280 120.280 120.327 -0.047 25484 5057 1 11 . 1 1 64 64 ILE HA H 64 3.600 3.600 3.598 0.002 25484 5058 1 11 . 1 1 64 64 ILE C C 64 177.950 177.950 177.876 0.074 25484 5059 1 11 . 1 1 64 64 ILE CA C 64 65.250 65.250 65.757 -0.507 25484 5060 1 11 . 1 1 64 64 ILE CB C 64 37.320 37.320 37.261 0.059 25484 5061 1 11 . 1 1 64 64 ILE H H 64 8.466 8.466 8.600 -0.134 25484 5062 1 11 . 1 1 65 65 ALA N N 65 122.590 122.590 122.221 0.369 25484 5063 1 11 . 1 1 65 65 ALA HA H 65 4.185 4.185 3.772 0.413 25484 5064 1 11 . 1 1 65 65 ALA C C 65 181.010 181.010 178.757 2.253 25484 5065 1 11 . 1 1 65 65 ALA CA C 65 55.220 55.220 55.124 0.096 25484 5066 1 11 . 1 1 65 65 ALA CB C 65 18.450 18.450 17.820 0.630 25484 5067 1 11 . 1 1 65 65 ALA H H 65 7.496 7.496 8.244 -0.748 25484 5068 1 11 . 1 1 66 66 LEU N N 66 115.599 115.599 120.303 -4.704 25484 5069 1 11 . 1 1 66 66 LEU HA H 66 4.100 4.100 3.818 0.282 25484 5070 1 11 . 1 1 66 66 LEU C C 66 179.380 179.380 178.884 0.496 25484 5071 1 11 . 1 1 66 66 LEU CA C 66 57.930 57.930 57.614 0.316 25484 5072 1 11 . 1 1 66 66 LEU CB C 66 41.410 41.410 41.521 -0.111 25484 5073 1 11 . 1 1 66 66 LEU H H 66 8.139 8.139 7.807 0.332 25484 5074 1 11 . 1 1 67 67 ALA N N 67 122.670 122.670 120.806 1.864 25484 5075 1 11 . 1 1 67 67 ALA HA H 67 3.958 3.958 4.011 -0.053 25484 5076 1 11 . 1 1 67 67 ALA C C 67 180.060 180.060 179.492 0.568 25484 5077 1 11 . 1 1 67 67 ALA CA C 67 55.750 55.750 55.365 0.385 25484 5078 1 11 . 1 1 67 67 ALA CB C 67 19.220 19.220 18.278 0.942 25484 5079 1 11 . 1 1 67 67 ALA H H 67 8.770 8.770 8.983 -0.213 25484 5080 1 11 . 1 1 68 68 ALA N N 68 120.580 120.580 122.159 -1.579 25484 5081 1 11 . 1 1 68 68 ALA HA H 68 4.142 4.142 4.445 -0.303 25484 5082 1 11 . 1 1 68 68 ALA C C 68 179.540 179.540 179.546 -0.006 25484 5083 1 11 . 1 1 68 68 ALA CA C 68 55.450 55.450 54.765 0.685 25484 5084 1 11 . 1 1 68 68 ALA CB C 68 18.220 18.220 19.108 -0.888 25484 5085 1 11 . 1 1 68 68 ALA H H 68 8.604 8.604 8.461 0.143 25484 5086 1 11 . 1 1 69 69 TYR HA H 69 4.345 4.345 4.341 0.004 25484 5087 1 11 . 1 1 69 69 TYR CA C 69 57.750 57.750 57.612 0.138 25484 5088 1 11 . 1 1 69 69 TYR CB C 69 38.580 38.580 36.205 2.375 25484 5089 1 11 . 1 1 71 71 ALA HA H 71 4.000 4.000 3.809 0.191 25484 5090 1 11 . 1 1 71 71 ALA C C 71 179.540 179.540 179.590 -0.050 25484 5091 1 11 . 1 1 71 71 ALA CA C 71 54.850 54.850 55.474 -0.624 25484 5092 1 11 . 1 1 71 71 ALA CB C 71 19.650 19.650 18.273 1.377 25484 5093 1 11 . 1 1 72 72 LYS N N 72 114.680 114.680 116.257 -1.577 25484 5094 1 11 . 1 1 72 72 LYS HA H 72 3.904 3.904 3.949 -0.045 25484 5095 1 11 . 1 1 72 72 LYS C C 72 177.120 177.120 179.019 -1.899 25484 5096 1 11 . 1 1 72 72 LYS CA C 72 58.230 58.230 59.794 -1.564 25484 5097 1 11 . 1 1 72 72 LYS CB C 72 32.340 32.340 32.561 -0.221 25484 5098 1 11 . 1 1 72 72 LYS H H 72 7.080 7.080 8.204 -1.124 25484 5099 1 11 . 1 1 73 73 HIS N N 73 113.498 113.498 116.495 -2.997 25484 5100 1 11 . 1 1 73 73 HIS HA H 73 4.826 4.826 4.565 0.261 25484 5101 1 11 . 1 1 73 73 HIS C C 73 173.660 173.660 175.665 -2.005 25484 5102 1 11 . 1 1 73 73 HIS CA C 73 54.380 54.380 57.344 -2.964 25484 5103 1 11 . 1 1 73 73 HIS CB C 73 30.350 30.350 31.591 -1.241 25484 5104 1 11 . 1 1 73 73 HIS H H 73 7.250 7.250 7.537 -0.287 25484 5105 1 11 . 1 1 74 74 CYS N N 74 123.830 123.830 121.928 1.902 25484 5106 1 11 . 1 1 74 74 CYS HA H 74 4.150 4.150 4.124 0.026 25484 5107 1 11 . 1 1 74 74 CYS C C 74 176.480 176.480 174.066 2.414 25484 5108 1 11 . 1 1 74 74 CYS CA C 74 60.250 60.250 59.826 0.424 25484 5109 1 11 . 1 1 74 74 CYS CB C 74 29.930 29.930 26.978 2.952 25484 5110 1 11 . 1 1 74 74 CYS H H 74 7.140 7.140 8.585 -1.445 25484 5111 1 11 . 1 1 75 75 GLN N N 75 128.740 128.740 127.394 1.346 25484 5112 1 11 . 1 1 75 75 GLN HA H 75 4.685 4.685 4.329 0.356 25484 5113 1 11 . 1 1 75 75 GLN C C 75 176.090 176.090 175.145 0.945 25484 5114 1 11 . 1 1 75 75 GLN CA C 75 54.900 54.900 55.020 -0.120 25484 5115 1 11 . 1 1 75 75 GLN CB C 75 29.840 29.840 27.553 2.287 25484 5116 1 11 . 1 1 75 75 GLN H H 75 9.088 9.088 8.355 0.733 25484 5117 1 11 . 1 1 76 76 GLU N N 76 123.190 123.190 123.365 -0.175 25484 5118 1 11 . 1 1 76 76 GLU HA H 76 4.480 4.480 4.471 0.009 25484 5119 1 11 . 1 1 76 76 GLU C C 76 177.030 177.030 174.202 2.828 25484 5120 1 11 . 1 1 76 76 GLU CA C 76 56.210 56.210 55.949 0.261 25484 5121 1 11 . 1 1 76 76 GLU CB C 76 30.660 30.660 32.061 -1.401 25484 5122 1 11 . 1 1 76 76 GLU H H 76 8.390 8.390 7.824 0.566 25484 5123 1 11 . 1 1 77 77 ASN N N 77 124.760 124.760 119.748 5.012 25484 5124 1 11 . 1 1 77 77 ASN HA H 77 4.549 4.549 4.771 -0.222 25484 5125 1 11 . 1 1 77 77 ASN C C 77 176.070 176.070 175.246 0.824 25484 5126 1 11 . 1 1 77 77 ASN CA C 77 55.100 55.100 52.784 2.316 25484 5127 1 11 . 1 1 77 77 ASN CB C 77 38.650 38.650 39.654 -1.004 25484 5128 1 11 . 1 1 77 77 ASN H H 77 8.848 8.848 8.688 0.160 25484 5129 1 11 . 1 1 78 78 LYS N N 78 120.810 120.810 121.853 -1.043 25484 5130 1 11 . 1 1 78 78 LYS HA H 78 4.460 4.460 4.212 0.248 25484 5131 1 11 . 1 1 78 78 LYS C C 78 175.230 175.230 175.613 -0.383 25484 5132 1 11 . 1 1 78 78 LYS CA C 78 54.920 54.920 57.018 -2.098 25484 5133 1 11 . 1 1 78 78 LYS CB C 78 31.020 31.020 33.128 -2.108 25484 5134 1 11 . 1 1 78 78 LYS H H 78 8.636 8.636 7.992 0.644 25484 5135 1 11 . 1 1 80 80 PRO HA H 80 4.710 4.710 4.538 0.172 25484 5136 1 11 . 1 1 80 80 PRO CA C 80 62.850 62.850 63.195 -0.345 25484 5137 1 11 . 1 1 80 80 PRO CB C 80 32.150 32.150 33.061 -0.911 25484 5138 1 11 . 1 1 81 81 VAL HA H 81 3.578 3.578 4.356 -0.778 25484 5139 1 11 . 1 1 81 81 VAL CA C 81 62.350 62.350 58.190 4.160 25484 5140 1 11 . 1 1 81 81 VAL CB C 81 31.616 31.616 32.043 -0.427 25484 5141 1 11 . 1 1 82 82 PRO HA H 82 4.850 4.850 4.072 0.778 25484 5142 1 11 . 1 1 82 82 PRO CA C 82 63.350 63.350 62.348 1.002 25484 5143 1 11 . 1 1 82 82 PRO CB C 82 32.050 32.050 32.330 -0.280 25484 5144 1 11 . 1 1 83 83 PHE HA H 83 4.160 4.160 4.235 -0.075 25484 5145 1 11 . 1 1 83 83 PHE CA C 83 58.950 58.950 59.315 -0.365 25484 5146 1 11 . 1 1 83 83 PHE CB C 83 38.250 38.250 36.323 1.927 25484 5147 1 11 . 1 1 84 84 CYS HA H 84 4.597 4.597 4.890 -0.293 25484 5148 1 11 . 1 1 84 84 CYS CA C 84 56.750 56.750 55.858 0.893 25484 5149 1 11 . 1 1 84 84 CYS CB C 84 30.150 30.150 30.476 -0.326 25484 5150 1 11 . 1 1 85 85 LEU N N 85 119.930 119.930 121.769 -1.839 25484 5151 1 11 . 1 1 85 85 LEU HA H 85 3.958 3.958 4.073 -0.115 25484 5152 1 11 . 1 1 85 85 LEU CA C 85 59.350 59.350 57.624 1.726 25484 5153 1 11 . 1 1 85 85 LEU CB C 85 38.180 38.180 39.668 -1.488 25484 5154 1 11 . 1 1 85 85 LEU H H 85 8.220 8.220 8.542 -0.322 25484 5155 1 11 . 1 1 86 86 ASN N N 86 115.750 115.750 117.764 -2.014 25484 5156 1 11 . 1 1 86 86 ASN HA H 86 4.580 4.580 4.560 0.020 25484 5157 1 11 . 1 1 86 86 ASN CA C 86 51.860 51.860 55.551 -3.691 25484 5158 1 11 . 1 1 86 86 ASN CB C 86 38.610 38.610 38.696 -0.086 25484 5159 1 11 . 1 1 86 86 ASN H H 86 7.789 7.789 8.162 -0.373 25484 5160 1 11 . 1 1 87 87 ILE N N 87 123.260 123.260 118.072 5.188 25484 5161 1 11 . 1 1 87 87 ILE HA H 87 4.220 4.220 4.049 0.171 25484 5162 1 11 . 1 1 87 87 ILE CA C 87 61.850 61.850 61.734 0.116 25484 5163 1 11 . 1 1 87 87 ILE CB C 87 41.330 41.330 37.940 3.390 25484 5164 1 11 . 1 1 87 87 ILE H H 87 7.160 7.160 8.625 -1.465 25484 5165 1 11 . 1 1 88 88 LYS HA H 88 4.450 4.450 4.284 0.166 25484 5166 1 11 . 1 1 88 88 LYS CA C 88 54.530 54.530 56.091 -1.561 25484 5167 1 11 . 1 1 88 88 LYS CB C 88 31.450 31.450 30.354 1.096 25484 5168 1 11 . 1 1 89 89 GLN HA H 89 4.450 4.450 4.572 -0.122 25484 5169 1 11 . 1 1 89 89 GLN CA C 89 56.210 56.210 54.862 1.348 25484 5170 1 11 . 1 1 89 89 GLN CB C 89 29.250 29.250 30.216 -0.966 25484 5171 1 12 . 1 1 2 2 THR HA H 2 4.415 4.415 4.146 0.269 25484 5172 1 12 . 1 1 2 2 THR C C 2 174.580 174.580 174.899 -0.319 25484 5173 1 12 . 1 1 2 2 THR CA C 2 62.450 62.450 64.673 -2.223 25484 5174 1 12 . 1 1 2 2 THR CB C 2 70.050 70.050 69.033 1.017 25484 5175 1 12 . 1 1 3 3 GLN N N 3 123.423 123.423 117.483 5.940 25484 5176 1 12 . 1 1 3 3 GLN HA H 3 4.480 4.480 4.579 -0.098 25484 5177 1 12 . 1 1 3 3 GLN C C 3 176.040 176.040 175.682 0.358 25484 5178 1 12 . 1 1 3 3 GLN CA C 3 55.950 55.950 55.592 0.358 25484 5179 1 12 . 1 1 3 3 GLN CB C 3 30.550 30.550 29.436 1.114 25484 5180 1 12 . 1 1 3 3 GLN H H 3 8.536 8.536 8.267 0.269 25484 5181 1 12 . 1 1 4 4 SER N N 4 119.390 119.390 118.402 0.988 25484 5182 1 12 . 1 1 4 4 SER HA H 4 4.834 4.834 4.672 0.162 25484 5183 1 12 . 1 1 4 4 SER C C 4 173.640 173.640 173.972 -0.332 25484 5184 1 12 . 1 1 4 4 SER CA C 4 56.250 56.250 60.819 -4.569 25484 5185 1 12 . 1 1 4 4 SER CB C 4 63.400 63.400 61.778 1.622 25484 5186 1 12 . 1 1 4 4 SER H H 4 8.150 8.150 8.026 0.124 25484 5187 1 12 . 1 1 5 5 PRO HA H 5 4.480 4.480 4.479 0.001 25484 5188 1 12 . 1 1 5 5 PRO C C 5 178.180 178.180 176.188 1.992 25484 5189 1 12 . 1 1 5 5 PRO CA C 5 64.040 64.040 63.308 0.732 25484 5190 1 12 . 1 1 5 5 PRO CB C 5 32.120 32.120 32.030 0.090 25484 5191 1 12 . 1 1 6 6 GLY N N 6 108.600 108.600 105.695 2.905 25484 5192 1 12 . 1 1 6 6 GLY C C 6 174.930 174.930 174.242 0.688 25484 5193 1 12 . 1 1 6 6 GLY CA C 6 45.750 45.750 44.860 0.890 25484 5194 1 12 . 1 1 6 6 GLY H H 6 8.470 8.470 7.549 0.921 25484 5195 1 12 . 1 1 7 7 ASP N N 7 121.260 121.260 122.922 -1.662 25484 5196 1 12 . 1 1 7 7 ASP HA H 7 4.660 4.660 4.353 0.307 25484 5197 1 12 . 1 1 7 7 ASP C C 7 177.580 177.580 176.995 0.585 25484 5198 1 12 . 1 1 7 7 ASP CA C 7 55.200 55.200 57.890 -2.690 25484 5199 1 12 . 1 1 7 7 ASP CB C 7 41.400 41.400 41.129 0.271 25484 5200 1 12 . 1 1 7 7 ASP H H 7 8.130 8.130 8.172 -0.042 25484 5201 1 12 . 1 1 8 8 SER N N 8 116.818 116.818 114.359 2.459 25484 5202 1 12 . 1 1 8 8 SER HA H 8 4.340 4.340 4.267 0.073 25484 5203 1 12 . 1 1 8 8 SER C C 8 176.310 176.310 176.653 -0.343 25484 5204 1 12 . 1 1 8 8 SER CA C 8 60.050 60.050 60.883 -0.834 25484 5205 1 12 . 1 1 8 8 SER CB C 8 63.190 63.190 63.108 0.082 25484 5206 1 12 . 1 1 8 8 SER H H 8 8.372 8.372 8.488 -0.116 25484 5207 1 12 . 1 1 9 9 ARG N N 9 123.150 123.150 122.275 0.875 25484 5208 1 12 . 1 1 9 9 ARG HA H 9 4.260 4.260 4.051 0.209 25484 5209 1 12 . 1 1 9 9 ARG C C 9 177.710 177.710 178.518 -0.808 25484 5210 1 12 . 1 1 9 9 ARG CA C 9 58.050 58.050 58.852 -0.802 25484 5211 1 12 . 1 1 9 9 ARG CB C 9 30.350 30.350 30.073 0.277 25484 5212 1 12 . 1 1 9 9 ARG H H 9 8.308 8.308 7.533 0.775 25484 5213 1 12 . 1 1 10 10 ARG N N 10 119.940 119.940 119.049 0.891 25484 5214 1 12 . 1 1 10 10 ARG HA H 10 4.110 4.110 4.161 -0.051 25484 5215 1 12 . 1 1 10 10 ARG C C 10 178.180 178.180 179.107 -0.927 25484 5216 1 12 . 1 1 10 10 ARG CA C 10 58.420 58.420 59.360 -0.940 25484 5217 1 12 . 1 1 10 10 ARG CB C 10 30.260 30.260 30.142 0.118 25484 5218 1 12 . 1 1 10 10 ARG H H 10 8.075 8.075 8.343 -0.268 25484 5219 1 12 . 1 1 11 11 LEU N N 11 121.060 121.060 119.462 1.598 25484 5220 1 12 . 1 1 11 11 LEU HA H 11 4.225 4.225 4.245 -0.020 25484 5221 1 12 . 1 1 11 11 LEU C C 11 179.950 179.950 178.843 1.107 25484 5222 1 12 . 1 1 11 11 LEU CA C 11 57.450 57.450 57.407 0.042 25484 5223 1 12 . 1 1 11 11 LEU CB C 11 41.910 41.910 41.418 0.492 25484 5224 1 12 . 1 1 11 11 LEU H H 11 8.160 8.160 8.630 -0.470 25484 5225 1 12 . 1 1 12 12 SER N N 12 116.470 116.470 116.504 -0.034 25484 5226 1 12 . 1 1 12 12 SER HA H 12 4.317 4.317 4.241 0.076 25484 5227 1 12 . 1 1 12 12 SER C C 12 176.960 176.960 176.453 0.507 25484 5228 1 12 . 1 1 12 12 SER CA C 12 60.760 60.760 61.669 -0.909 25484 5229 1 12 . 1 1 12 12 SER CB C 12 63.350 63.350 62.911 0.439 25484 5230 1 12 . 1 1 12 12 SER H H 12 8.179 8.179 7.713 0.466 25484 5231 1 12 . 1 1 13 13 ILE N N 13 123.740 123.740 120.447 3.293 25484 5232 1 12 . 1 1 13 13 ILE HA H 13 3.690 3.690 3.727 -0.037 25484 5233 1 12 . 1 1 13 13 ILE C C 13 177.660 177.660 177.455 0.205 25484 5234 1 12 . 1 1 13 13 ILE CA C 13 64.930 64.930 64.170 0.760 25484 5235 1 12 . 1 1 13 13 ILE CB C 13 37.650 37.650 37.011 0.639 25484 5236 1 12 . 1 1 13 13 ILE H H 13 8.130 8.130 7.530 0.600 25484 5237 1 12 . 1 1 14 14 GLN N N 14 119.220 119.220 121.432 -2.212 25484 5238 1 12 . 1 1 14 14 GLN HA H 14 4.040 4.040 3.857 0.183 25484 5239 1 12 . 1 1 14 14 GLN C C 14 179.490 179.490 178.231 1.259 25484 5240 1 12 . 1 1 14 14 GLN CA C 14 59.750 59.750 60.144 -0.394 25484 5241 1 12 . 1 1 14 14 GLN CB C 14 27.730 27.730 28.457 -0.727 25484 5242 1 12 . 1 1 14 14 GLN H H 14 8.113 8.113 8.892 -0.779 25484 5243 1 12 . 1 1 15 15 ARG N N 15 119.160 119.160 118.111 1.049 25484 5244 1 12 . 1 1 15 15 ARG HA H 15 4.150 4.150 4.335 -0.185 25484 5245 1 12 . 1 1 15 15 ARG C C 15 179.460 179.460 178.381 1.079 25484 5246 1 12 . 1 1 15 15 ARG CA C 15 59.150 59.150 59.106 0.044 25484 5247 1 12 . 1 1 15 15 ARG CB C 15 30.090 30.090 30.018 0.072 25484 5248 1 12 . 1 1 15 15 ARG H H 15 8.200 8.200 7.913 0.287 25484 5249 1 12 . 1 1 16 16 ALA N N 16 124.140 124.140 124.007 0.133 25484 5250 1 12 . 1 1 16 16 ALA HA H 16 3.990 3.990 4.149 -0.159 25484 5251 1 12 . 1 1 16 16 ALA C C 16 180.230 180.230 179.809 0.421 25484 5252 1 12 . 1 1 16 16 ALA CA C 16 55.550 55.550 54.956 0.593 25484 5253 1 12 . 1 1 16 16 ALA CB C 16 18.750 18.750 18.517 0.233 25484 5254 1 12 . 1 1 16 16 ALA H H 16 8.071 8.071 7.520 0.551 25484 5255 1 12 . 1 1 17 17 ILE N N 17 118.180 118.180 119.673 -1.493 25484 5256 1 12 . 1 1 17 17 ILE HA H 17 3.712 3.712 3.456 0.256 25484 5257 1 12 . 1 1 17 17 ILE C C 17 178.210 178.210 178.012 0.198 25484 5258 1 12 . 1 1 17 17 ILE CA C 17 64.870 64.870 65.986 -1.116 25484 5259 1 12 . 1 1 17 17 ILE CB C 17 37.640 37.640 37.774 -0.134 25484 5260 1 12 . 1 1 17 17 ILE H H 17 8.534 8.534 8.704 -0.170 25484 5261 1 12 . 1 1 18 18 GLN N N 18 118.960 118.960 119.317 -0.357 25484 5262 1 12 . 1 1 18 18 GLN HA H 18 4.134 4.134 3.873 0.261 25484 5263 1 12 . 1 1 18 18 GLN C C 18 180.050 180.050 178.944 1.106 25484 5264 1 12 . 1 1 18 18 GLN CA C 18 59.340 59.340 59.623 -0.283 25484 5265 1 12 . 1 1 18 18 GLN CB C 18 28.030 28.030 28.418 -0.388 25484 5266 1 12 . 1 1 18 18 GLN H H 18 8.200 8.200 8.875 -0.675 25484 5267 1 12 . 1 1 19 19 SER N N 19 116.320 116.320 116.181 0.139 25484 5268 1 12 . 1 1 19 19 SER HA H 19 4.388 4.388 4.230 0.158 25484 5269 1 12 . 1 1 19 19 SER C C 19 176.460 176.460 176.332 0.128 25484 5270 1 12 . 1 1 19 19 SER CA C 19 62.250 62.250 62.451 -0.201 25484 5271 1 12 . 1 1 19 19 SER CB C 19 63.270 63.270 63.086 0.184 25484 5272 1 12 . 1 1 19 19 SER H H 19 8.190 8.190 8.279 -0.089 25484 5273 1 12 . 1 1 20 20 LEU N N 20 125.540 125.540 124.688 0.852 25484 5274 1 12 . 1 1 20 20 LEU HA H 20 4.075 4.075 4.015 0.060 25484 5275 1 12 . 1 1 20 20 LEU C C 20 177.640 177.640 178.482 -0.842 25484 5276 1 12 . 1 1 20 20 LEU CA C 20 58.750 58.750 58.432 0.318 25484 5277 1 12 . 1 1 20 20 LEU CB C 20 42.390 42.390 42.013 0.377 25484 5278 1 12 . 1 1 20 20 LEU H H 20 8.290 8.290 7.991 0.299 25484 5279 1 12 . 1 1 21 21 VAL N N 21 118.690 118.690 118.734 -0.044 25484 5280 1 12 . 1 1 21 21 VAL HA H 21 3.356 3.356 3.437 -0.081 25484 5281 1 12 . 1 1 21 21 VAL C C 21 178.770 178.770 177.582 1.188 25484 5282 1 12 . 1 1 21 21 VAL CA C 21 66.850 66.850 67.606 -0.756 25484 5283 1 12 . 1 1 21 21 VAL CB C 21 31.450 31.450 31.646 -0.196 25484 5284 1 12 . 1 1 21 21 VAL H H 21 8.532 8.532 8.970 -0.438 25484 5285 1 12 . 1 1 22 22 HIS N N 22 116.230 116.230 119.429 -3.199 25484 5286 1 12 . 1 1 22 22 HIS HA H 22 4.230 4.230 4.203 0.027 25484 5287 1 12 . 1 1 22 22 HIS C C 22 178.420 178.420 176.885 1.535 25484 5288 1 12 . 1 1 22 22 HIS CA C 22 59.980 59.980 60.138 -0.158 25484 5289 1 12 . 1 1 22 22 HIS CB C 22 27.830 27.830 29.811 -1.981 25484 5290 1 12 . 1 1 22 22 HIS H H 22 7.980 7.980 8.261 -0.281 25484 5291 1 12 . 1 1 23 23 ALA N N 23 121.520 121.520 120.979 0.541 25484 5292 1 12 . 1 1 23 23 ALA HA H 23 4.225 4.225 4.160 0.065 25484 5293 1 12 . 1 1 23 23 ALA C C 23 179.540 179.540 178.440 1.100 25484 5294 1 12 . 1 1 23 23 ALA CA C 23 55.250 55.250 54.782 0.468 25484 5295 1 12 . 1 1 23 23 ALA CB C 23 19.550 19.550 18.619 0.931 25484 5296 1 12 . 1 1 23 23 ALA H H 23 8.640 8.640 8.497 0.143 25484 5297 1 12 . 1 1 24 24 ALA N N 24 116.860 116.860 119.360 -2.500 25484 5298 1 12 . 1 1 24 24 ALA HA H 24 4.100 4.100 4.094 0.006 25484 5299 1 12 . 1 1 24 24 ALA C C 24 178.130 178.130 178.898 -0.768 25484 5300 1 12 . 1 1 24 24 ALA CA C 24 54.090 54.090 54.277 -0.187 25484 5301 1 12 . 1 1 24 24 ALA CB C 24 18.750 18.750 18.646 0.104 25484 5302 1 12 . 1 1 24 24 ALA H H 24 8.260 8.260 7.600 0.660 25484 5303 1 12 . 1 1 25 25 GLN N N 25 112.450 112.450 117.216 -4.766 25484 5304 1 12 . 1 1 25 25 GLN HA H 25 4.495 4.495 4.193 0.302 25484 5305 1 12 . 1 1 25 25 GLN C C 25 174.940 174.940 176.059 -1.119 25484 5306 1 12 . 1 1 25 25 GLN CA C 25 54.650 54.650 57.098 -2.448 25484 5307 1 12 . 1 1 25 25 GLN CB C 25 30.650 30.650 30.020 0.630 25484 5308 1 12 . 1 1 25 25 GLN H H 25 7.260 7.260 8.195 -0.935 25484 5309 1 12 . 1 1 26 26 CYS N N 26 124.510 124.510 120.490 4.020 25484 5310 1 12 . 1 1 26 26 CYS HA H 26 3.915 3.915 4.240 -0.325 25484 5311 1 12 . 1 1 26 26 CYS C C 26 176.690 176.690 173.422 3.268 25484 5312 1 12 . 1 1 26 26 CYS CA C 26 60.980 60.980 58.784 2.196 25484 5313 1 12 . 1 1 26 26 CYS CB C 26 29.350 29.350 28.624 0.726 25484 5314 1 12 . 1 1 26 26 CYS H H 26 7.365 7.365 8.317 -0.952 25484 5315 1 12 . 1 1 27 27 ARG N N 27 129.870 129.870 127.390 2.480 25484 5316 1 12 . 1 1 27 27 ARG HA H 27 4.635 4.635 4.559 0.076 25484 5317 1 12 . 1 1 27 27 ARG C C 27 175.660 175.660 174.404 1.256 25484 5318 1 12 . 1 1 27 27 ARG CA C 27 54.550 54.550 54.499 0.051 25484 5319 1 12 . 1 1 27 27 ARG CB C 27 30.350 30.350 29.222 1.128 25484 5320 1 12 . 1 1 27 27 ARG H H 27 8.880 8.880 8.578 0.302 25484 5321 1 12 . 1 1 28 28 ASN N N 28 120.810 120.810 121.839 -1.029 25484 5322 1 12 . 1 1 28 28 ASN HA H 28 4.870 4.870 4.784 0.086 25484 5323 1 12 . 1 1 28 28 ASN C C 28 176.120 176.120 175.386 0.734 25484 5324 1 12 . 1 1 28 28 ASN CA C 28 51.930 51.930 53.130 -1.200 25484 5325 1 12 . 1 1 28 28 ASN CB C 28 39.060 39.060 40.227 -1.167 25484 5326 1 12 . 1 1 28 28 ASN H H 28 7.980 7.980 8.237 -0.257 25484 5327 1 12 . 1 1 29 29 ALA N N 29 130.470 130.470 126.785 3.685 25484 5328 1 12 . 1 1 29 29 ALA HA H 29 4.133 4.133 4.197 -0.064 25484 5329 1 12 . 1 1 29 29 ALA C C 29 178.380 178.380 177.077 1.303 25484 5330 1 12 . 1 1 29 29 ALA CA C 29 54.290 54.290 54.095 0.195 25484 5331 1 12 . 1 1 29 29 ALA CB C 29 18.370 18.370 19.201 -0.831 25484 5332 1 12 . 1 1 29 29 ALA H H 29 9.134 9.134 8.548 0.586 25484 5333 1 12 . 1 1 30 30 ASN N N 30 114.590 114.590 114.537 0.053 25484 5334 1 12 . 1 1 30 30 ASN HA H 30 4.875 4.875 4.927 -0.052 25484 5335 1 12 . 1 1 30 30 ASN C C 30 174.530 174.530 174.674 -0.144 25484 5336 1 12 . 1 1 30 30 ASN CA C 30 51.930 51.930 51.621 0.309 25484 5337 1 12 . 1 1 30 30 ASN CB C 30 38.910 38.910 38.745 0.165 25484 5338 1 12 . 1 1 30 30 ASN H H 30 8.114 8.114 8.106 0.008 25484 5339 1 12 . 1 1 31 31 CYS N N 31 123.270 123.270 122.681 0.589 25484 5340 1 12 . 1 1 31 31 CYS HA H 31 4.050 4.050 4.297 -0.247 25484 5341 1 12 . 1 1 31 31 CYS C C 31 177.170 177.170 174.404 2.766 25484 5342 1 12 . 1 1 31 31 CYS CA C 31 61.880 61.880 59.299 2.581 25484 5343 1 12 . 1 1 31 31 CYS CB C 31 30.010 30.010 29.091 0.919 25484 5344 1 12 . 1 1 31 31 CYS H H 31 7.210 7.210 7.514 -0.304 25484 5345 1 12 . 1 1 32 32 SER N N 32 124.300 124.300 121.820 2.480 25484 5346 1 12 . 1 1 32 32 SER HA H 32 4.609 4.609 4.615 -0.006 25484 5347 1 12 . 1 1 32 32 SER C C 32 175.020 175.020 173.398 1.622 25484 5348 1 12 . 1 1 32 32 SER CA C 32 58.010 58.010 57.197 0.812 25484 5349 1 12 . 1 1 32 32 SER CB C 32 64.120 64.120 63.129 0.991 25484 5350 1 12 . 1 1 32 32 SER H H 32 8.767 8.767 8.283 0.484 25484 5351 1 12 . 1 1 33 33 LEU N N 33 128.860 128.860 126.542 2.318 25484 5352 1 12 . 1 1 33 33 LEU HA H 33 4.538 4.538 4.924 -0.386 25484 5353 1 12 . 1 1 33 33 LEU C C 33 177.230 177.230 174.852 2.378 25484 5354 1 12 . 1 1 33 33 LEU CA C 33 54.450 54.450 51.284 3.166 25484 5355 1 12 . 1 1 33 33 LEU CB C 33 40.970 40.970 42.678 -1.708 25484 5356 1 12 . 1 1 33 33 LEU H H 33 8.546 8.546 7.520 1.026 25484 5357 1 12 . 1 1 34 34 PRO HA H 34 4.370 4.370 4.369 0.001 25484 5358 1 12 . 1 1 34 34 PRO C C 34 178.640 178.640 178.433 0.207 25484 5359 1 12 . 1 1 34 34 PRO CA C 34 65.530 65.530 65.569 -0.039 25484 5360 1 12 . 1 1 34 34 PRO CB C 34 31.970 31.970 31.914 0.056 25484 5361 1 12 . 1 1 35 35 SER N N 35 111.940 111.940 113.890 -1.950 25484 5362 1 12 . 1 1 35 35 SER HA H 35 4.127 4.127 4.425 -0.298 25484 5363 1 12 . 1 1 35 35 SER C C 35 174.750 174.750 176.084 -1.334 25484 5364 1 12 . 1 1 35 35 SER CA C 35 60.100 60.100 61.694 -1.593 25484 5365 1 12 . 1 1 35 35 SER CB C 35 62.910 62.910 62.837 0.074 25484 5366 1 12 . 1 1 35 35 SER H H 35 8.350 8.350 8.665 -0.315 25484 5367 1 12 . 1 1 36 36 CYS N N 36 125.790 125.790 123.320 2.470 25484 5368 1 12 . 1 1 36 36 CYS HA H 36 4.215 4.215 4.169 0.046 25484 5369 1 12 . 1 1 36 36 CYS C C 36 177.070 177.070 176.095 0.975 25484 5370 1 12 . 1 1 36 36 CYS CA C 36 63.900 63.900 61.742 2.158 25484 5371 1 12 . 1 1 36 36 CYS CB C 36 29.650 29.650 26.753 2.897 25484 5372 1 12 . 1 1 36 36 CYS H H 36 7.490 7.490 8.133 -0.643 25484 5373 1 12 . 1 1 37 37 GLN N N 37 115.860 115.860 119.078 -3.218 25484 5374 1 12 . 1 1 37 37 GLN HA H 37 4.010 4.010 3.835 0.175 25484 5375 1 12 . 1 1 37 37 GLN C C 37 179.690 179.690 178.336 1.354 25484 5376 1 12 . 1 1 37 37 GLN CA C 37 59.980 59.980 59.218 0.762 25484 5377 1 12 . 1 1 37 37 GLN CB C 37 27.820 27.820 28.217 -0.397 25484 5378 1 12 . 1 1 37 37 GLN H H 37 8.170 8.170 8.714 -0.544 25484 5379 1 12 . 1 1 38 38 LYS N N 38 117.470 117.470 119.623 -2.153 25484 5380 1 12 . 1 1 38 38 LYS HA H 38 4.060 4.060 3.999 0.061 25484 5381 1 12 . 1 1 38 38 LYS C C 38 179.230 179.230 179.221 0.009 25484 5382 1 12 . 1 1 38 38 LYS CA C 38 59.450 59.450 59.292 0.158 25484 5383 1 12 . 1 1 38 38 LYS CB C 38 32.650 32.650 32.216 0.434 25484 5384 1 12 . 1 1 38 38 LYS H H 38 7.920 7.920 7.976 -0.056 25484 5385 1 12 . 1 1 39 39 MET N N 39 118.050 118.050 118.111 -0.061 25484 5386 1 12 . 1 1 39 39 MET HA H 39 4.559 4.559 4.132 0.427 25484 5387 1 12 . 1 1 39 39 MET C C 39 179.720 179.720 178.529 1.191 25484 5388 1 12 . 1 1 39 39 MET CA C 39 57.250 57.250 58.401 -1.151 25484 5389 1 12 . 1 1 39 39 MET CB C 39 32.550 32.550 32.040 0.510 25484 5390 1 12 . 1 1 39 39 MET H H 39 8.370 8.370 7.692 0.678 25484 5391 1 12 . 1 1 40 40 LYS N N 40 121.630 121.630 120.444 1.186 25484 5392 1 12 . 1 1 40 40 LYS HA H 40 3.840 3.840 3.971 -0.131 25484 5393 1 12 . 1 1 40 40 LYS C C 40 180.150 180.150 179.158 0.992 25484 5394 1 12 . 1 1 40 40 LYS CA C 40 61.520 61.520 60.258 1.262 25484 5395 1 12 . 1 1 40 40 LYS CB C 40 32.620 32.620 32.324 0.296 25484 5396 1 12 . 1 1 40 40 LYS H H 40 9.490 9.490 8.593 0.897 25484 5397 1 12 . 1 1 41 41 ARG N N 41 118.300 118.300 118.446 -0.146 25484 5398 1 12 . 1 1 41 41 ARG HA H 41 4.180 4.180 4.162 0.018 25484 5399 1 12 . 1 1 41 41 ARG C C 41 180.080 180.080 178.332 1.748 25484 5400 1 12 . 1 1 41 41 ARG CA C 41 59.750 59.750 58.727 1.023 25484 5401 1 12 . 1 1 41 41 ARG CB C 41 30.010 30.010 30.242 -0.232 25484 5402 1 12 . 1 1 41 41 ARG H H 41 7.610 7.610 8.044 -0.434 25484 5403 1 12 . 1 1 42 42 VAL N N 42 121.750 121.750 120.465 1.285 25484 5404 1 12 . 1 1 42 42 VAL HA H 42 3.745 3.745 3.941 -0.196 25484 5405 1 12 . 1 1 42 42 VAL C C 42 178.130 178.130 177.363 0.767 25484 5406 1 12 . 1 1 42 42 VAL CA C 42 66.760 66.760 65.893 0.867 25484 5407 1 12 . 1 1 42 42 VAL CB C 42 31.520 31.520 32.611 -1.091 25484 5408 1 12 . 1 1 42 42 VAL H H 42 7.760 7.760 7.929 -0.169 25484 5409 1 12 . 1 1 43 43 VAL N N 43 120.580 120.580 121.792 -1.212 25484 5410 1 12 . 1 1 43 43 VAL HA H 43 3.531 3.531 3.544 -0.013 25484 5411 1 12 . 1 1 43 43 VAL C C 43 179.310 179.310 178.075 1.235 25484 5412 1 12 . 1 1 43 43 VAL CA C 43 67.120 67.120 67.386 -0.266 25484 5413 1 12 . 1 1 43 43 VAL CB C 43 31.510 31.510 31.535 -0.025 25484 5414 1 12 . 1 1 43 43 VAL H H 43 8.500 8.500 8.617 -0.117 25484 5415 1 12 . 1 1 44 44 GLN N N 44 119.280 119.280 116.412 2.868 25484 5416 1 12 . 1 1 44 44 GLN HA H 44 4.010 4.010 4.051 -0.041 25484 5417 1 12 . 1 1 44 44 GLN C C 44 179.330 179.330 178.414 0.916 25484 5418 1 12 . 1 1 44 44 GLN CA C 44 59.060 59.060 58.691 0.369 25484 5419 1 12 . 1 1 44 44 GLN CB C 44 28.030 28.030 28.108 -0.078 25484 5420 1 12 . 1 1 44 44 GLN H H 44 8.400 8.400 8.670 -0.270 25484 5421 1 12 . 1 1 45 45 HIS N N 45 119.160 119.160 119.997 -0.837 25484 5422 1 12 . 1 1 45 45 HIS HA H 45 4.283 4.283 4.308 -0.025 25484 5423 1 12 . 1 1 45 45 HIS C C 45 178.250 178.250 177.307 0.943 25484 5424 1 12 . 1 1 45 45 HIS CA C 45 59.950 59.950 60.012 -0.062 25484 5425 1 12 . 1 1 45 45 HIS CB C 45 27.150 27.150 30.002 -2.852 25484 5426 1 12 . 1 1 45 45 HIS H H 45 8.190 8.190 7.999 0.191 25484 5427 1 12 . 1 1 46 46 THR N N 46 111.110 111.110 114.476 -3.366 25484 5428 1 12 . 1 1 46 46 THR HA H 46 3.859 3.859 4.089 -0.230 25484 5429 1 12 . 1 1 46 46 THR C C 46 176.350 176.350 177.580 -1.230 25484 5430 1 12 . 1 1 46 46 THR CA C 46 65.670 65.670 66.076 -0.406 25484 5431 1 12 . 1 1 46 46 THR CB C 46 69.190 69.190 68.717 0.473 25484 5432 1 12 . 1 1 46 46 THR H H 46 7.980 7.980 8.444 -0.464 25484 5433 1 12 . 1 1 47 47 LYS N N 47 120.510 120.510 119.634 0.876 25484 5434 1 12 . 1 1 47 47 LYS HA H 47 4.090 4.090 4.170 -0.080 25484 5435 1 12 . 1 1 47 47 LYS C C 47 178.150 178.150 178.392 -0.242 25484 5436 1 12 . 1 1 47 47 LYS CA C 47 58.750 58.750 58.388 0.362 25484 5437 1 12 . 1 1 47 47 LYS CB C 47 32.360 32.360 32.347 0.013 25484 5438 1 12 . 1 1 47 47 LYS H H 47 7.410 7.410 7.694 -0.284 25484 5439 1 12 . 1 1 48 48 GLY N N 48 104.210 104.210 104.809 -0.599 25484 5440 1 12 . 1 1 48 48 GLY C C 48 174.220 174.220 174.856 -0.636 25484 5441 1 12 . 1 1 48 48 GLY CA C 48 44.753 44.753 45.270 -0.517 25484 5442 1 12 . 1 1 48 48 GLY H H 48 7.180 7.180 7.819 -0.639 25484 5443 1 12 . 1 1 49 49 CYS N N 49 123.560 123.560 121.530 2.030 25484 5444 1 12 . 1 1 49 49 CYS HA H 49 4.010 4.010 4.521 -0.511 25484 5445 1 12 . 1 1 49 49 CYS C C 49 177.230 177.230 174.776 2.454 25484 5446 1 12 . 1 1 49 49 CYS CA C 49 61.230 61.230 57.200 4.030 25484 5447 1 12 . 1 1 49 49 CYS CB C 49 29.850 29.850 26.311 3.539 25484 5448 1 12 . 1 1 49 49 CYS H H 49 6.981 6.981 7.763 -0.782 25484 5449 1 12 . 1 1 50 50 LYS N N 50 128.350 128.350 122.550 5.800 25484 5450 1 12 . 1 1 50 50 LYS HA H 50 4.524 4.524 4.118 0.406 25484 5451 1 12 . 1 1 50 50 LYS C C 50 178.040 178.040 177.722 0.318 25484 5452 1 12 . 1 1 50 50 LYS CA C 50 56.750 56.750 57.644 -0.894 25484 5453 1 12 . 1 1 50 50 LYS CB C 50 32.950 32.950 31.842 1.108 25484 5454 1 12 . 1 1 50 50 LYS H H 50 8.999 8.999 7.870 1.129 25484 5455 1 12 . 1 1 51 51 ARG N N 51 122.550 122.550 118.479 4.071 25484 5456 1 12 . 1 1 51 51 ARG HA H 51 4.428 4.428 4.165 0.263 25484 5457 1 12 . 1 1 51 51 ARG C C 51 177.410 177.410 178.423 -1.013 25484 5458 1 12 . 1 1 51 51 ARG CA C 51 57.750 57.750 57.005 0.744 25484 5459 1 12 . 1 1 51 51 ARG CB C 51 31.860 31.860 28.965 2.895 25484 5460 1 12 . 1 1 51 51 ARG H H 51 8.558 8.558 8.325 0.234 25484 5461 1 12 . 1 1 52 52 LYS N N 52 119.040 119.040 120.659 -1.619 25484 5462 1 12 . 1 1 52 52 LYS HA H 52 4.534 4.534 4.032 0.502 25484 5463 1 12 . 1 1 52 52 LYS C C 52 177.610 177.610 178.491 -0.881 25484 5464 1 12 . 1 1 52 52 LYS CA C 52 57.970 57.970 60.013 -2.043 25484 5465 1 12 . 1 1 52 52 LYS CB C 52 32.350 32.350 31.952 0.398 25484 5466 1 12 . 1 1 52 52 LYS H H 52 8.490 8.490 8.205 0.285 25484 5467 1 12 . 1 1 53 53 THR N N 53 113.034 113.034 107.869 5.165 25484 5468 1 12 . 1 1 53 53 THR HA H 53 4.160 4.160 4.302 -0.142 25484 5469 1 12 . 1 1 53 53 THR C C 53 175.610 175.610 176.871 -1.261 25484 5470 1 12 . 1 1 53 53 THR CA C 53 64.050 64.050 64.013 0.038 25484 5471 1 12 . 1 1 53 53 THR CB C 53 69.120 69.120 68.753 0.367 25484 5472 1 12 . 1 1 53 53 THR H H 53 7.760 7.760 8.179 -0.419 25484 5473 1 12 . 1 1 54 54 ASN N N 54 119.860 119.860 120.600 -0.740 25484 5474 1 12 . 1 1 54 54 ASN HA H 54 4.920 4.920 4.517 0.403 25484 5475 1 12 . 1 1 54 54 ASN C C 54 176.330 176.330 176.927 -0.597 25484 5476 1 12 . 1 1 54 54 ASN CA C 54 53.720 53.720 56.174 -2.454 25484 5477 1 12 . 1 1 54 54 ASN CB C 54 38.350 38.350 38.570 -0.220 25484 5478 1 12 . 1 1 54 54 ASN H H 54 8.290 8.290 7.975 0.315 25484 5479 1 12 . 1 1 55 55 GLY N N 55 107.570 107.570 103.068 4.502 25484 5480 1 12 . 1 1 55 55 GLY C C 55 175.660 175.660 174.570 1.090 25484 5481 1 12 . 1 1 55 55 GLY CA C 55 45.938 45.938 44.228 1.710 25484 5482 1 12 . 1 1 55 55 GLY H H 55 8.006 8.006 7.862 0.144 25484 5483 1 12 . 1 1 56 56 GLY N N 56 107.290 107.290 108.618 -1.328 25484 5484 1 12 . 1 1 56 56 GLY C C 56 173.710 173.710 174.825 -1.115 25484 5485 1 12 . 1 1 56 56 GLY CA C 56 45.570 45.570 45.455 0.115 25484 5486 1 12 . 1 1 56 56 GLY H H 56 7.840 7.840 7.512 0.328 25484 5487 1 12 . 1 1 57 57 CYS N N 57 122.730 122.730 120.295 2.435 25484 5488 1 12 . 1 1 57 57 CYS HA H 57 4.505 4.505 4.843 -0.338 25484 5489 1 12 . 1 1 57 57 CYS C C 57 175.090 175.090 173.354 1.736 25484 5490 1 12 . 1 1 57 57 CYS CA C 57 55.950 55.950 55.695 0.255 25484 5491 1 12 . 1 1 57 57 CYS CB C 57 30.760 30.760 28.824 1.936 25484 5492 1 12 . 1 1 57 57 CYS H H 57 8.048 8.048 7.842 0.206 25484 5493 1 12 . 1 1 58 58 PRO HA H 58 4.338 4.338 4.685 -0.347 25484 5494 1 12 . 1 1 58 58 PRO CA C 58 65.050 65.050 62.743 2.307 25484 5495 1 12 . 1 1 58 58 PRO CB C 58 32.620 32.620 30.598 2.022 25484 5496 1 12 . 1 1 59 59 ILE N N 59 121.256 121.256 123.200 -1.944 25484 5497 1 12 . 1 1 59 59 ILE HA H 59 3.818 3.818 4.199 -0.381 25484 5498 1 12 . 1 1 59 59 ILE C C 59 178.820 178.820 176.245 2.575 25484 5499 1 12 . 1 1 59 59 ILE CA C 59 64.590 64.590 62.986 1.604 25484 5500 1 12 . 1 1 59 59 ILE CB C 59 38.890 38.890 38.921 -0.031 25484 5501 1 12 . 1 1 59 59 ILE H H 59 7.900 7.900 8.791 -0.891 25484 5502 1 12 . 1 1 60 60 CYS N N 60 123.970 123.970 119.437 4.533 25484 5503 1 12 . 1 1 60 60 CYS HA H 60 4.117 4.117 4.088 0.029 25484 5504 1 12 . 1 1 60 60 CYS C C 60 178.110 178.110 176.695 1.415 25484 5505 1 12 . 1 1 60 60 CYS CA C 60 66.090 66.090 63.828 2.262 25484 5506 1 12 . 1 1 60 60 CYS CB C 60 29.150 29.150 27.015 2.135 25484 5507 1 12 . 1 1 60 60 CYS H H 60 8.914 8.914 8.429 0.485 25484 5508 1 12 . 1 1 61 61 LYS N N 61 117.210 117.210 119.965 -2.755 25484 5509 1 12 . 1 1 61 61 LYS HA H 61 3.910 3.910 4.014 -0.104 25484 5510 1 12 . 1 1 61 61 LYS C C 61 179.460 179.460 178.108 1.352 25484 5511 1 12 . 1 1 61 61 LYS CA C 61 59.970 59.970 59.480 0.490 25484 5512 1 12 . 1 1 61 61 LYS CB C 61 32.650 32.650 32.369 0.281 25484 5513 1 12 . 1 1 61 61 LYS H H 61 8.090 8.090 8.235 -0.145 25484 5514 1 12 . 1 1 62 62 GLN N N 62 117.780 117.780 118.893 -1.113 25484 5515 1 12 . 1 1 62 62 GLN HA H 62 4.203 4.203 4.173 0.030 25484 5516 1 12 . 1 1 62 62 GLN C C 62 178.564 178.564 178.794 -0.230 25484 5517 1 12 . 1 1 62 62 GLN CA C 62 58.450 58.450 58.130 0.320 25484 5518 1 12 . 1 1 62 62 GLN CB C 62 29.140 29.140 28.982 0.158 25484 5519 1 12 . 1 1 62 62 GLN H H 62 7.360 7.360 7.562 -0.202 25484 5520 1 12 . 1 1 63 63 LEU N N 63 119.930 119.930 123.483 -3.553 25484 5521 1 12 . 1 1 63 63 LEU HA H 63 4.218 4.218 4.154 0.064 25484 5522 1 12 . 1 1 63 63 LEU C C 63 179.440 179.440 177.766 1.674 25484 5523 1 12 . 1 1 63 63 LEU CA C 63 58.550 58.550 57.558 0.992 25484 5524 1 12 . 1 1 63 63 LEU CB C 63 41.910 41.910 41.867 0.043 25484 5525 1 12 . 1 1 63 63 LEU H H 63 8.075 8.075 8.872 -0.797 25484 5526 1 12 . 1 1 64 64 ILE N N 64 120.280 120.280 120.009 0.271 25484 5527 1 12 . 1 1 64 64 ILE HA H 64 3.600 3.600 3.394 0.206 25484 5528 1 12 . 1 1 64 64 ILE C C 64 177.950 177.950 177.607 0.343 25484 5529 1 12 . 1 1 64 64 ILE CA C 64 65.250 65.250 65.491 -0.241 25484 5530 1 12 . 1 1 64 64 ILE CB C 64 37.320 37.320 37.011 0.309 25484 5531 1 12 . 1 1 64 64 ILE H H 64 8.466 8.466 8.569 -0.103 25484 5532 1 12 . 1 1 65 65 ALA N N 65 122.590 122.590 121.859 0.731 25484 5533 1 12 . 1 1 65 65 ALA HA H 65 4.185 4.185 3.708 0.477 25484 5534 1 12 . 1 1 65 65 ALA C C 65 181.010 181.010 179.454 1.556 25484 5535 1 12 . 1 1 65 65 ALA CA C 65 55.220 55.220 55.264 -0.044 25484 5536 1 12 . 1 1 65 65 ALA CB C 65 18.450 18.450 18.164 0.286 25484 5537 1 12 . 1 1 65 65 ALA H H 65 7.496 7.496 8.168 -0.672 25484 5538 1 12 . 1 1 66 66 LEU N N 66 115.599 115.599 120.641 -5.042 25484 5539 1 12 . 1 1 66 66 LEU HA H 66 4.100 4.100 4.036 0.064 25484 5540 1 12 . 1 1 66 66 LEU C C 66 179.380 179.380 179.020 0.360 25484 5541 1 12 . 1 1 66 66 LEU CA C 66 57.930 57.930 57.740 0.190 25484 5542 1 12 . 1 1 66 66 LEU CB C 66 41.410 41.410 41.611 -0.201 25484 5543 1 12 . 1 1 66 66 LEU H H 66 8.139 8.139 7.974 0.165 25484 5544 1 12 . 1 1 67 67 ALA N N 67 122.670 122.670 121.084 1.586 25484 5545 1 12 . 1 1 67 67 ALA HA H 67 3.958 3.958 4.029 -0.071 25484 5546 1 12 . 1 1 67 67 ALA C C 67 180.060 180.060 179.585 0.475 25484 5547 1 12 . 1 1 67 67 ALA CA C 67 55.750 55.750 55.259 0.491 25484 5548 1 12 . 1 1 67 67 ALA CB C 67 19.220 19.220 18.288 0.932 25484 5549 1 12 . 1 1 67 67 ALA H H 67 8.770 8.770 8.860 -0.090 25484 5550 1 12 . 1 1 68 68 ALA N N 68 120.580 120.580 122.132 -1.552 25484 5551 1 12 . 1 1 68 68 ALA HA H 68 4.142 4.142 4.618 -0.476 25484 5552 1 12 . 1 1 68 68 ALA C C 68 179.540 179.540 180.044 -0.504 25484 5553 1 12 . 1 1 68 68 ALA CA C 68 55.450 55.450 54.681 0.769 25484 5554 1 12 . 1 1 68 68 ALA CB C 68 18.220 18.220 18.669 -0.449 25484 5555 1 12 . 1 1 68 68 ALA H H 68 8.604 8.604 8.436 0.168 25484 5556 1 12 . 1 1 69 69 TYR HA H 69 4.345 4.345 4.376 -0.031 25484 5557 1 12 . 1 1 69 69 TYR CA C 69 57.750 57.750 59.698 -1.948 25484 5558 1 12 . 1 1 69 69 TYR CB C 69 38.580 38.580 37.749 0.831 25484 5559 1 12 . 1 1 71 71 ALA HA H 71 4.000 4.000 3.869 0.131 25484 5560 1 12 . 1 1 71 71 ALA C C 71 179.540 179.540 179.055 0.485 25484 5561 1 12 . 1 1 71 71 ALA CA C 71 54.850 54.850 55.560 -0.711 25484 5562 1 12 . 1 1 71 71 ALA CB C 71 19.650 19.650 18.076 1.574 25484 5563 1 12 . 1 1 72 72 LYS N N 72 114.680 114.680 115.589 -0.909 25484 5564 1 12 . 1 1 72 72 LYS HA H 72 3.904 3.904 4.002 -0.098 25484 5565 1 12 . 1 1 72 72 LYS C C 72 177.120 177.120 177.840 -0.720 25484 5566 1 12 . 1 1 72 72 LYS CA C 72 58.230 58.230 59.139 -0.909 25484 5567 1 12 . 1 1 72 72 LYS CB C 72 32.340 32.340 32.661 -0.321 25484 5568 1 12 . 1 1 72 72 LYS H H 72 7.080 7.080 8.103 -1.023 25484 5569 1 12 . 1 1 73 73 HIS N N 73 113.498 113.498 115.305 -1.807 25484 5570 1 12 . 1 1 73 73 HIS HA H 73 4.826 4.826 4.745 0.081 25484 5571 1 12 . 1 1 73 73 HIS C C 73 173.660 173.660 173.996 -0.336 25484 5572 1 12 . 1 1 73 73 HIS CA C 73 54.380 54.380 55.010 -0.630 25484 5573 1 12 . 1 1 73 73 HIS CB C 73 30.350 30.350 31.105 -0.755 25484 5574 1 12 . 1 1 73 73 HIS H H 73 7.250 7.250 8.054 -0.804 25484 5575 1 12 . 1 1 74 74 CYS N N 74 123.830 123.830 121.539 2.291 25484 5576 1 12 . 1 1 74 74 CYS HA H 74 4.150 4.150 4.244 -0.094 25484 5577 1 12 . 1 1 74 74 CYS C C 74 176.480 176.480 173.954 2.526 25484 5578 1 12 . 1 1 74 74 CYS CA C 74 60.250 60.250 58.092 2.158 25484 5579 1 12 . 1 1 74 74 CYS CB C 74 29.930 29.930 28.168 1.762 25484 5580 1 12 . 1 1 74 74 CYS H H 74 7.140 7.140 7.761 -0.621 25484 5581 1 12 . 1 1 75 75 GLN N N 75 128.740 128.740 126.499 2.241 25484 5582 1 12 . 1 1 75 75 GLN HA H 75 4.685 4.685 4.372 0.313 25484 5583 1 12 . 1 1 75 75 GLN C C 75 176.090 176.090 175.102 0.988 25484 5584 1 12 . 1 1 75 75 GLN CA C 75 54.900 54.900 54.833 0.068 25484 5585 1 12 . 1 1 75 75 GLN CB C 75 29.840 29.840 27.491 2.349 25484 5586 1 12 . 1 1 75 75 GLN H H 75 9.088 9.088 8.549 0.539 25484 5587 1 12 . 1 1 76 76 GLU N N 76 123.190 123.190 123.683 -0.493 25484 5588 1 12 . 1 1 76 76 GLU HA H 76 4.480 4.480 4.442 0.038 25484 5589 1 12 . 1 1 76 76 GLU C C 76 177.030 177.030 174.880 2.150 25484 5590 1 12 . 1 1 76 76 GLU CA C 76 56.210 56.210 55.769 0.441 25484 5591 1 12 . 1 1 76 76 GLU CB C 76 30.660 30.660 32.090 -1.431 25484 5592 1 12 . 1 1 76 76 GLU H H 76 8.390 8.390 7.900 0.490 25484 5593 1 12 . 1 1 77 77 ASN N N 77 124.760 124.760 120.155 4.605 25484 5594 1 12 . 1 1 77 77 ASN HA H 77 4.549 4.549 4.841 -0.292 25484 5595 1 12 . 1 1 77 77 ASN C C 77 176.070 176.070 174.940 1.130 25484 5596 1 12 . 1 1 77 77 ASN CA C 77 55.100 55.100 53.157 1.943 25484 5597 1 12 . 1 1 77 77 ASN CB C 77 38.650 38.650 38.987 -0.337 25484 5598 1 12 . 1 1 77 77 ASN H H 77 8.848 8.848 8.669 0.179 25484 5599 1 12 . 1 1 78 78 LYS N N 78 120.810 120.810 120.007 0.803 25484 5600 1 12 . 1 1 78 78 LYS HA H 78 4.460 4.460 4.437 0.023 25484 5601 1 12 . 1 1 78 78 LYS C C 78 175.230 175.230 175.029 0.201 25484 5602 1 12 . 1 1 78 78 LYS CA C 78 54.920 54.920 55.185 -0.265 25484 5603 1 12 . 1 1 78 78 LYS CB C 78 31.020 31.020 32.753 -1.733 25484 5604 1 12 . 1 1 78 78 LYS H H 78 8.636 8.636 7.859 0.777 25484 5605 1 12 . 1 1 80 80 PRO HA H 80 4.710 4.710 4.355 0.355 25484 5606 1 12 . 1 1 80 80 PRO CA C 80 62.850 62.850 63.691 -0.841 25484 5607 1 12 . 1 1 80 80 PRO CB C 80 32.150 32.150 31.998 0.152 25484 5608 1 12 . 1 1 81 81 VAL HA H 81 3.578 3.578 4.371 -0.793 25484 5609 1 12 . 1 1 81 81 VAL CA C 81 62.350 62.350 58.840 3.510 25484 5610 1 12 . 1 1 81 81 VAL CB C 81 31.616 31.616 33.557 -1.941 25484 5611 1 12 . 1 1 82 82 PRO HA H 82 4.850 4.850 4.081 0.769 25484 5612 1 12 . 1 1 82 82 PRO CA C 82 63.350 63.350 62.688 0.662 25484 5613 1 12 . 1 1 82 82 PRO CB C 82 32.050 32.050 32.323 -0.273 25484 5614 1 12 . 1 1 83 83 PHE HA H 83 4.160 4.160 4.436 -0.276 25484 5615 1 12 . 1 1 83 83 PHE CA C 83 58.950 58.950 59.940 -0.990 25484 5616 1 12 . 1 1 83 83 PHE CB C 83 38.250 38.250 36.326 1.924 25484 5617 1 12 . 1 1 84 84 CYS HA H 84 4.597 4.597 4.720 -0.123 25484 5618 1 12 . 1 1 84 84 CYS CA C 84 56.750 56.750 57.138 -0.388 25484 5619 1 12 . 1 1 84 84 CYS CB C 84 30.150 30.150 30.630 -0.480 25484 5620 1 12 . 1 1 85 85 LEU N N 85 119.930 119.930 121.006 -1.076 25484 5621 1 12 . 1 1 85 85 LEU HA H 85 3.958 3.958 4.016 -0.058 25484 5622 1 12 . 1 1 85 85 LEU CA C 85 59.350 59.350 57.042 2.308 25484 5623 1 12 . 1 1 85 85 LEU CB C 85 38.180 38.180 39.804 -1.624 25484 5624 1 12 . 1 1 85 85 LEU H H 85 8.220 8.220 8.495 -0.275 25484 5625 1 12 . 1 1 86 86 ASN N N 86 115.750 115.750 114.357 1.393 25484 5626 1 12 . 1 1 86 86 ASN HA H 86 4.580 4.580 4.805 -0.225 25484 5627 1 12 . 1 1 86 86 ASN CA C 86 51.860 51.860 53.516 -1.656 25484 5628 1 12 . 1 1 86 86 ASN CB C 86 38.610 38.610 40.025 -1.415 25484 5629 1 12 . 1 1 86 86 ASN H H 86 7.789 7.789 8.193 -0.404 25484 5630 1 12 . 1 1 87 87 ILE N N 87 123.260 123.260 118.477 4.783 25484 5631 1 12 . 1 1 87 87 ILE HA H 87 4.220 4.220 4.087 0.133 25484 5632 1 12 . 1 1 87 87 ILE CA C 87 61.850 61.850 61.712 0.138 25484 5633 1 12 . 1 1 87 87 ILE CB C 87 41.330 41.330 38.055 3.275 25484 5634 1 12 . 1 1 87 87 ILE H H 87 7.160 7.160 8.492 -1.332 25484 5635 1 12 . 1 1 88 88 LYS HA H 88 4.450 4.450 4.361 0.089 25484 5636 1 12 . 1 1 88 88 LYS CA C 88 54.530 54.530 55.484 -0.954 25484 5637 1 12 . 1 1 88 88 LYS CB C 88 31.450 31.450 30.441 1.009 25484 5638 1 12 . 1 1 89 89 GLN HA H 89 4.450 4.450 4.526 -0.076 25484 5639 1 12 . 1 1 89 89 GLN CA C 89 56.210 56.210 54.765 1.445 25484 5640 1 12 . 1 1 89 89 GLN CB C 89 29.250 29.250 30.884 -1.634 25484 5641 1 13 . 1 1 2 2 THR HA H 2 4.415 4.415 4.454 -0.039 25484 5642 1 13 . 1 1 2 2 THR C C 2 174.580 174.580 173.732 0.848 25484 5643 1 13 . 1 1 2 2 THR CA C 2 62.450 62.450 61.921 0.529 25484 5644 1 13 . 1 1 2 2 THR CB C 2 70.050 70.050 69.669 0.381 25484 5645 1 13 . 1 1 3 3 GLN N N 3 123.423 123.423 120.825 2.598 25484 5646 1 13 . 1 1 3 3 GLN HA H 3 4.480 4.480 4.164 0.316 25484 5647 1 13 . 1 1 3 3 GLN C C 3 176.040 176.040 174.690 1.350 25484 5648 1 13 . 1 1 3 3 GLN CA C 3 55.950 55.950 56.131 -0.181 25484 5649 1 13 . 1 1 3 3 GLN CB C 3 30.550 30.550 27.406 3.144 25484 5650 1 13 . 1 1 3 3 GLN H H 3 8.536 8.536 8.868 -0.332 25484 5651 1 13 . 1 1 4 4 SER N N 4 119.390 119.390 115.826 3.564 25484 5652 1 13 . 1 1 4 4 SER HA H 4 4.834 4.834 4.589 0.245 25484 5653 1 13 . 1 1 4 4 SER C C 4 173.640 173.640 173.622 0.018 25484 5654 1 13 . 1 1 4 4 SER CA C 4 56.250 56.250 58.959 -2.709 25484 5655 1 13 . 1 1 4 4 SER CB C 4 63.400 63.400 62.708 0.692 25484 5656 1 13 . 1 1 4 4 SER H H 4 8.150 8.150 8.332 -0.182 25484 5657 1 13 . 1 1 5 5 PRO HA H 5 4.480 4.480 4.444 0.036 25484 5658 1 13 . 1 1 5 5 PRO C C 5 178.180 178.180 176.177 2.003 25484 5659 1 13 . 1 1 5 5 PRO CA C 5 64.040 64.040 63.382 0.658 25484 5660 1 13 . 1 1 5 5 PRO CB C 5 32.120 32.120 32.030 0.090 25484 5661 1 13 . 1 1 6 6 GLY N N 6 108.600 108.600 106.591 2.009 25484 5662 1 13 . 1 1 6 6 GLY C C 6 174.930 174.930 174.226 0.704 25484 5663 1 13 . 1 1 6 6 GLY CA C 6 45.750 45.750 44.549 1.201 25484 5664 1 13 . 1 1 6 6 GLY H H 6 8.470 8.470 7.777 0.693 25484 5665 1 13 . 1 1 7 7 ASP N N 7 121.260 121.260 122.535 -1.275 25484 5666 1 13 . 1 1 7 7 ASP HA H 7 4.660 4.660 4.335 0.325 25484 5667 1 13 . 1 1 7 7 ASP C C 7 177.580 177.580 177.250 0.330 25484 5668 1 13 . 1 1 7 7 ASP CA C 7 55.200 55.200 57.704 -2.504 25484 5669 1 13 . 1 1 7 7 ASP CB C 7 41.400 41.400 41.103 0.297 25484 5670 1 13 . 1 1 7 7 ASP H H 7 8.130 8.130 7.754 0.376 25484 5671 1 13 . 1 1 8 8 SER N N 8 116.818 116.818 114.262 2.556 25484 5672 1 13 . 1 1 8 8 SER HA H 8 4.340 4.340 4.292 0.048 25484 5673 1 13 . 1 1 8 8 SER C C 8 176.310 176.310 176.715 -0.405 25484 5674 1 13 . 1 1 8 8 SER CA C 8 60.050 60.050 61.620 -1.570 25484 5675 1 13 . 1 1 8 8 SER CB C 8 63.190 63.190 62.701 0.489 25484 5676 1 13 . 1 1 8 8 SER H H 8 8.372 8.372 8.661 -0.289 25484 5677 1 13 . 1 1 9 9 ARG N N 9 123.150 123.150 122.628 0.522 25484 5678 1 13 . 1 1 9 9 ARG HA H 9 4.260 4.260 4.141 0.119 25484 5679 1 13 . 1 1 9 9 ARG C C 9 177.710 177.710 178.335 -0.625 25484 5680 1 13 . 1 1 9 9 ARG CA C 9 58.050 58.050 58.493 -0.443 25484 5681 1 13 . 1 1 9 9 ARG CB C 9 30.350 30.350 30.023 0.328 25484 5682 1 13 . 1 1 9 9 ARG H H 9 8.308 8.308 7.479 0.829 25484 5683 1 13 . 1 1 10 10 ARG N N 10 119.940 119.940 120.072 -0.132 25484 5684 1 13 . 1 1 10 10 ARG HA H 10 4.110 4.110 4.137 -0.027 25484 5685 1 13 . 1 1 10 10 ARG C C 10 178.180 178.180 179.017 -0.837 25484 5686 1 13 . 1 1 10 10 ARG CA C 10 58.420 58.420 59.135 -0.715 25484 5687 1 13 . 1 1 10 10 ARG CB C 10 30.260 30.260 29.812 0.448 25484 5688 1 13 . 1 1 10 10 ARG H H 10 8.075 8.075 8.409 -0.334 25484 5689 1 13 . 1 1 11 11 LEU N N 11 121.060 121.060 119.433 1.627 25484 5690 1 13 . 1 1 11 11 LEU HA H 11 4.225 4.225 4.121 0.104 25484 5691 1 13 . 1 1 11 11 LEU C C 11 179.950 179.950 178.698 1.252 25484 5692 1 13 . 1 1 11 11 LEU CA C 11 57.450 57.450 58.328 -0.878 25484 5693 1 13 . 1 1 11 11 LEU CB C 11 41.910 41.910 41.341 0.569 25484 5694 1 13 . 1 1 11 11 LEU H H 11 8.160 8.160 8.826 -0.666 25484 5695 1 13 . 1 1 12 12 SER N N 12 116.470 116.470 115.936 0.534 25484 5696 1 13 . 1 1 12 12 SER HA H 12 4.317 4.317 4.170 0.147 25484 5697 1 13 . 1 1 12 12 SER C C 12 176.960 176.960 176.644 0.316 25484 5698 1 13 . 1 1 12 12 SER CA C 12 60.760 60.760 61.674 -0.914 25484 5699 1 13 . 1 1 12 12 SER CB C 12 63.350 63.350 62.714 0.636 25484 5700 1 13 . 1 1 12 12 SER H H 12 8.179 8.179 7.678 0.501 25484 5701 1 13 . 1 1 13 13 ILE N N 13 123.740 123.740 121.297 2.443 25484 5702 1 13 . 1 1 13 13 ILE HA H 13 3.690 3.690 3.584 0.106 25484 5703 1 13 . 1 1 13 13 ILE C C 13 177.660 177.660 177.649 0.011 25484 5704 1 13 . 1 1 13 13 ILE CA C 13 64.930 64.930 64.899 0.031 25484 5705 1 13 . 1 1 13 13 ILE CB C 13 37.650 37.650 36.980 0.670 25484 5706 1 13 . 1 1 13 13 ILE H H 13 8.130 8.130 7.771 0.359 25484 5707 1 13 . 1 1 14 14 GLN N N 14 119.220 119.220 120.935 -1.715 25484 5708 1 13 . 1 1 14 14 GLN HA H 14 4.040 4.040 3.822 0.218 25484 5709 1 13 . 1 1 14 14 GLN C C 14 179.490 179.490 178.491 0.999 25484 5710 1 13 . 1 1 14 14 GLN CA C 14 59.750 59.750 59.903 -0.153 25484 5711 1 13 . 1 1 14 14 GLN CB C 14 27.730 27.730 28.561 -0.831 25484 5712 1 13 . 1 1 14 14 GLN H H 14 8.113 8.113 8.849 -0.736 25484 5713 1 13 . 1 1 15 15 ARG N N 15 119.160 119.160 117.994 1.166 25484 5714 1 13 . 1 1 15 15 ARG HA H 15 4.150 4.150 4.087 0.063 25484 5715 1 13 . 1 1 15 15 ARG C C 15 179.460 179.460 178.347 1.113 25484 5716 1 13 . 1 1 15 15 ARG CA C 15 59.150 59.150 59.128 0.022 25484 5717 1 13 . 1 1 15 15 ARG CB C 15 30.090 30.090 30.055 0.035 25484 5718 1 13 . 1 1 15 15 ARG H H 15 8.200 8.200 8.320 -0.120 25484 5719 1 13 . 1 1 16 16 ALA N N 16 124.140 124.140 124.132 0.008 25484 5720 1 13 . 1 1 16 16 ALA HA H 16 3.990 3.990 4.161 -0.171 25484 5721 1 13 . 1 1 16 16 ALA C C 16 180.230 180.230 179.789 0.441 25484 5722 1 13 . 1 1 16 16 ALA CA C 16 55.550 55.550 54.935 0.615 25484 5723 1 13 . 1 1 16 16 ALA CB C 16 18.750 18.750 18.542 0.208 25484 5724 1 13 . 1 1 16 16 ALA H H 16 8.071 8.071 7.714 0.357 25484 5725 1 13 . 1 1 17 17 ILE N N 17 118.180 118.180 119.961 -1.781 25484 5726 1 13 . 1 1 17 17 ILE HA H 17 3.712 3.712 3.427 0.285 25484 5727 1 13 . 1 1 17 17 ILE C C 17 178.210 178.210 177.779 0.431 25484 5728 1 13 . 1 1 17 17 ILE CA C 17 64.870 64.870 66.054 -1.184 25484 5729 1 13 . 1 1 17 17 ILE CB C 17 37.640 37.640 37.814 -0.174 25484 5730 1 13 . 1 1 17 17 ILE H H 17 8.534 8.534 8.808 -0.274 25484 5731 1 13 . 1 1 18 18 GLN N N 18 118.960 118.960 118.868 0.092 25484 5732 1 13 . 1 1 18 18 GLN HA H 18 4.134 4.134 3.855 0.279 25484 5733 1 13 . 1 1 18 18 GLN C C 18 180.050 180.050 178.752 1.298 25484 5734 1 13 . 1 1 18 18 GLN CA C 18 59.340 59.340 59.506 -0.166 25484 5735 1 13 . 1 1 18 18 GLN CB C 18 28.030 28.030 28.510 -0.480 25484 5736 1 13 . 1 1 18 18 GLN H H 18 8.200 8.200 8.819 -0.619 25484 5737 1 13 . 1 1 19 19 SER N N 19 116.320 116.320 116.598 -0.278 25484 5738 1 13 . 1 1 19 19 SER HA H 19 4.388 4.388 4.130 0.258 25484 5739 1 13 . 1 1 19 19 SER C C 19 176.460 176.460 176.263 0.197 25484 5740 1 13 . 1 1 19 19 SER CA C 19 62.250 62.250 62.493 -0.243 25484 5741 1 13 . 1 1 19 19 SER CB C 19 63.270 63.270 63.044 0.227 25484 5742 1 13 . 1 1 19 19 SER H H 19 8.190 8.190 8.204 -0.014 25484 5743 1 13 . 1 1 20 20 LEU N N 20 125.540 125.540 124.460 1.080 25484 5744 1 13 . 1 1 20 20 LEU HA H 20 4.075 4.075 3.979 0.096 25484 5745 1 13 . 1 1 20 20 LEU C C 20 177.640 177.640 178.519 -0.879 25484 5746 1 13 . 1 1 20 20 LEU CA C 20 58.750 58.750 58.431 0.319 25484 5747 1 13 . 1 1 20 20 LEU CB C 20 42.390 42.390 42.001 0.389 25484 5748 1 13 . 1 1 20 20 LEU H H 20 8.290 8.290 8.020 0.270 25484 5749 1 13 . 1 1 21 21 VAL N N 21 118.690 118.690 118.320 0.370 25484 5750 1 13 . 1 1 21 21 VAL HA H 21 3.356 3.356 3.430 -0.074 25484 5751 1 13 . 1 1 21 21 VAL C C 21 178.770 178.770 177.566 1.204 25484 5752 1 13 . 1 1 21 21 VAL CA C 21 66.850 66.850 67.477 -0.627 25484 5753 1 13 . 1 1 21 21 VAL CB C 21 31.450 31.450 31.587 -0.137 25484 5754 1 13 . 1 1 21 21 VAL H H 21 8.532 8.532 8.960 -0.428 25484 5755 1 13 . 1 1 22 22 HIS N N 22 116.230 116.230 119.404 -3.174 25484 5756 1 13 . 1 1 22 22 HIS HA H 22 4.230 4.230 4.207 0.023 25484 5757 1 13 . 1 1 22 22 HIS C C 22 178.420 178.420 176.875 1.545 25484 5758 1 13 . 1 1 22 22 HIS CA C 22 59.980 59.980 60.198 -0.218 25484 5759 1 13 . 1 1 22 22 HIS CB C 22 27.830 27.830 29.852 -2.022 25484 5760 1 13 . 1 1 22 22 HIS H H 22 7.980 7.980 8.135 -0.155 25484 5761 1 13 . 1 1 23 23 ALA N N 23 121.520 121.520 121.335 0.185 25484 5762 1 13 . 1 1 23 23 ALA HA H 23 4.225 4.225 4.180 0.045 25484 5763 1 13 . 1 1 23 23 ALA C C 23 179.540 179.540 178.603 0.937 25484 5764 1 13 . 1 1 23 23 ALA CA C 23 55.250 55.250 54.920 0.330 25484 5765 1 13 . 1 1 23 23 ALA CB C 23 19.550 19.550 18.578 0.972 25484 5766 1 13 . 1 1 23 23 ALA H H 23 8.640 8.640 8.596 0.044 25484 5767 1 13 . 1 1 24 24 ALA N N 24 116.860 116.860 119.434 -2.574 25484 5768 1 13 . 1 1 24 24 ALA HA H 24 4.100 4.100 4.037 0.063 25484 5769 1 13 . 1 1 24 24 ALA C C 24 178.130 178.130 179.536 -1.406 25484 5770 1 13 . 1 1 24 24 ALA CA C 24 54.090 54.090 54.441 -0.351 25484 5771 1 13 . 1 1 24 24 ALA CB C 24 18.750 18.750 18.644 0.106 25484 5772 1 13 . 1 1 24 24 ALA H H 24 8.260 8.260 7.766 0.494 25484 5773 1 13 . 1 1 25 25 GLN N N 25 112.450 112.450 117.339 -4.889 25484 5774 1 13 . 1 1 25 25 GLN HA H 25 4.495 4.495 4.173 0.322 25484 5775 1 13 . 1 1 25 25 GLN C C 25 174.940 174.940 176.235 -1.295 25484 5776 1 13 . 1 1 25 25 GLN CA C 25 54.650 54.650 56.593 -1.943 25484 5777 1 13 . 1 1 25 25 GLN CB C 25 30.650 30.650 30.013 0.637 25484 5778 1 13 . 1 1 25 25 GLN H H 25 7.260 7.260 8.293 -1.033 25484 5779 1 13 . 1 1 26 26 CYS N N 26 124.510 124.510 120.765 3.745 25484 5780 1 13 . 1 1 26 26 CYS HA H 26 3.915 3.915 4.215 -0.300 25484 5781 1 13 . 1 1 26 26 CYS C C 26 176.690 176.690 173.440 3.250 25484 5782 1 13 . 1 1 26 26 CYS CA C 26 60.980 60.980 59.411 1.569 25484 5783 1 13 . 1 1 26 26 CYS CB C 26 29.350 29.350 28.728 0.622 25484 5784 1 13 . 1 1 26 26 CYS H H 26 7.365 7.365 8.442 -1.077 25484 5785 1 13 . 1 1 27 27 ARG N N 27 129.870 129.870 126.937 2.933 25484 5786 1 13 . 1 1 27 27 ARG HA H 27 4.635 4.635 4.555 0.080 25484 5787 1 13 . 1 1 27 27 ARG C C 27 175.660 175.660 174.306 1.354 25484 5788 1 13 . 1 1 27 27 ARG CA C 27 54.550 54.550 54.709 -0.159 25484 5789 1 13 . 1 1 27 27 ARG CB C 27 30.350 30.350 29.374 0.976 25484 5790 1 13 . 1 1 27 27 ARG H H 27 8.880 8.880 8.507 0.373 25484 5791 1 13 . 1 1 28 28 ASN N N 28 120.810 120.810 121.972 -1.162 25484 5792 1 13 . 1 1 28 28 ASN HA H 28 4.870 4.870 4.790 0.080 25484 5793 1 13 . 1 1 28 28 ASN C C 28 176.120 176.120 175.182 0.938 25484 5794 1 13 . 1 1 28 28 ASN CA C 28 51.930 51.930 53.120 -1.190 25484 5795 1 13 . 1 1 28 28 ASN CB C 28 39.060 39.060 40.524 -1.464 25484 5796 1 13 . 1 1 28 28 ASN H H 28 7.980 7.980 8.174 -0.194 25484 5797 1 13 . 1 1 29 29 ALA N N 29 130.470 130.470 126.594 3.876 25484 5798 1 13 . 1 1 29 29 ALA HA H 29 4.133 4.133 4.154 -0.021 25484 5799 1 13 . 1 1 29 29 ALA C C 29 178.380 178.380 176.832 1.548 25484 5800 1 13 . 1 1 29 29 ALA CA C 29 54.290 54.290 53.887 0.403 25484 5801 1 13 . 1 1 29 29 ALA CB C 29 18.370 18.370 19.337 -0.967 25484 5802 1 13 . 1 1 29 29 ALA H H 29 9.134 9.134 8.566 0.568 25484 5803 1 13 . 1 1 30 30 ASN N N 30 114.590 114.590 114.534 0.056 25484 5804 1 13 . 1 1 30 30 ASN HA H 30 4.875 4.875 4.916 -0.041 25484 5805 1 13 . 1 1 30 30 ASN C C 30 174.530 174.530 173.789 0.741 25484 5806 1 13 . 1 1 30 30 ASN CA C 30 51.930 51.930 52.023 -0.093 25484 5807 1 13 . 1 1 30 30 ASN CB C 30 38.910 38.910 39.068 -0.158 25484 5808 1 13 . 1 1 30 30 ASN H H 30 8.114 8.114 7.869 0.245 25484 5809 1 13 . 1 1 31 31 CYS N N 31 123.270 123.270 121.373 1.897 25484 5810 1 13 . 1 1 31 31 CYS HA H 31 4.050 4.050 4.256 -0.206 25484 5811 1 13 . 1 1 31 31 CYS C C 31 177.170 177.170 173.922 3.248 25484 5812 1 13 . 1 1 31 31 CYS CA C 31 61.880 61.880 59.048 2.832 25484 5813 1 13 . 1 1 31 31 CYS CB C 31 30.010 30.010 28.816 1.194 25484 5814 1 13 . 1 1 31 31 CYS H H 31 7.210 7.210 7.522 -0.312 25484 5815 1 13 . 1 1 32 32 SER N N 32 124.300 124.300 122.894 1.406 25484 5816 1 13 . 1 1 32 32 SER HA H 32 4.609 4.609 4.642 -0.033 25484 5817 1 13 . 1 1 32 32 SER C C 32 175.020 175.020 173.297 1.723 25484 5818 1 13 . 1 1 32 32 SER CA C 32 58.010 58.010 57.227 0.783 25484 5819 1 13 . 1 1 32 32 SER CB C 32 64.120 64.120 63.170 0.950 25484 5820 1 13 . 1 1 32 32 SER H H 32 8.767 8.767 8.319 0.448 25484 5821 1 13 . 1 1 33 33 LEU N N 33 128.860 128.860 126.717 2.143 25484 5822 1 13 . 1 1 33 33 LEU HA H 33 4.538 4.538 4.884 -0.346 25484 5823 1 13 . 1 1 33 33 LEU C C 33 177.230 177.230 174.819 2.411 25484 5824 1 13 . 1 1 33 33 LEU CA C 33 54.450 54.450 51.354 3.096 25484 5825 1 13 . 1 1 33 33 LEU CB C 33 40.970 40.970 42.687 -1.717 25484 5826 1 13 . 1 1 33 33 LEU H H 33 8.546 8.546 7.564 0.982 25484 5827 1 13 . 1 1 34 34 PRO HA H 34 4.370 4.370 4.488 -0.118 25484 5828 1 13 . 1 1 34 34 PRO C C 34 178.640 178.640 178.541 0.099 25484 5829 1 13 . 1 1 34 34 PRO CA C 34 65.530 65.530 65.542 -0.012 25484 5830 1 13 . 1 1 34 34 PRO CB C 34 31.970 31.970 31.650 0.320 25484 5831 1 13 . 1 1 35 35 SER N N 35 111.940 111.940 113.515 -1.575 25484 5832 1 13 . 1 1 35 35 SER HA H 35 4.127 4.127 4.380 -0.253 25484 5833 1 13 . 1 1 35 35 SER C C 35 174.750 174.750 176.371 -1.621 25484 5834 1 13 . 1 1 35 35 SER CA C 35 60.100 60.100 60.922 -0.822 25484 5835 1 13 . 1 1 35 35 SER CB C 35 62.910 62.910 62.768 0.142 25484 5836 1 13 . 1 1 35 35 SER H H 35 8.350 8.350 8.665 -0.315 25484 5837 1 13 . 1 1 36 36 CYS N N 36 125.790 125.790 123.233 2.557 25484 5838 1 13 . 1 1 36 36 CYS HA H 36 4.215 4.215 4.150 0.065 25484 5839 1 13 . 1 1 36 36 CYS C C 36 177.070 177.070 176.185 0.885 25484 5840 1 13 . 1 1 36 36 CYS CA C 36 63.900 63.900 61.643 2.257 25484 5841 1 13 . 1 1 36 36 CYS CB C 36 29.650 29.650 26.735 2.915 25484 5842 1 13 . 1 1 36 36 CYS H H 36 7.490 7.490 8.208 -0.718 25484 5843 1 13 . 1 1 37 37 GLN N N 37 115.860 115.860 119.121 -3.261 25484 5844 1 13 . 1 1 37 37 GLN HA H 37 4.010 4.010 3.816 0.194 25484 5845 1 13 . 1 1 37 37 GLN C C 37 179.690 179.690 178.353 1.337 25484 5846 1 13 . 1 1 37 37 GLN CA C 37 59.980 59.980 59.286 0.694 25484 5847 1 13 . 1 1 37 37 GLN CB C 37 27.820 27.820 28.255 -0.435 25484 5848 1 13 . 1 1 37 37 GLN H H 37 8.170 8.170 8.649 -0.479 25484 5849 1 13 . 1 1 38 38 LYS N N 38 117.470 117.470 119.474 -2.004 25484 5850 1 13 . 1 1 38 38 LYS HA H 38 4.060 4.060 3.991 0.069 25484 5851 1 13 . 1 1 38 38 LYS C C 38 179.230 179.230 179.301 -0.071 25484 5852 1 13 . 1 1 38 38 LYS CA C 38 59.450 59.450 59.276 0.174 25484 5853 1 13 . 1 1 38 38 LYS CB C 38 32.650 32.650 32.198 0.452 25484 5854 1 13 . 1 1 38 38 LYS H H 38 7.920 7.920 8.017 -0.097 25484 5855 1 13 . 1 1 39 39 MET N N 39 118.050 118.050 118.042 0.008 25484 5856 1 13 . 1 1 39 39 MET HA H 39 4.559 4.559 4.147 0.412 25484 5857 1 13 . 1 1 39 39 MET C C 39 179.720 179.720 178.490 1.230 25484 5858 1 13 . 1 1 39 39 MET CA C 39 57.250 57.250 58.295 -1.045 25484 5859 1 13 . 1 1 39 39 MET CB C 39 32.550 32.550 32.106 0.444 25484 5860 1 13 . 1 1 39 39 MET H H 39 8.370 8.370 7.657 0.713 25484 5861 1 13 . 1 1 40 40 LYS N N 40 121.630 121.630 120.471 1.159 25484 5862 1 13 . 1 1 40 40 LYS HA H 40 3.840 3.840 3.978 -0.138 25484 5863 1 13 . 1 1 40 40 LYS C C 40 180.150 180.150 179.224 0.926 25484 5864 1 13 . 1 1 40 40 LYS CA C 40 61.520 61.520 60.197 1.323 25484 5865 1 13 . 1 1 40 40 LYS CB C 40 32.620 32.620 32.297 0.323 25484 5866 1 13 . 1 1 40 40 LYS H H 40 9.490 9.490 8.588 0.902 25484 5867 1 13 . 1 1 41 41 ARG N N 41 118.300 118.300 117.210 1.090 25484 5868 1 13 . 1 1 41 41 ARG HA H 41 4.180 4.180 4.134 0.046 25484 5869 1 13 . 1 1 41 41 ARG C C 41 180.080 180.080 177.452 2.628 25484 5870 1 13 . 1 1 41 41 ARG CA C 41 59.750 59.750 58.518 1.232 25484 5871 1 13 . 1 1 41 41 ARG CB C 41 30.010 30.010 30.209 -0.199 25484 5872 1 13 . 1 1 41 41 ARG H H 41 7.610 7.610 7.926 -0.316 25484 5873 1 13 . 1 1 42 42 VAL N N 42 121.750 121.750 118.108 3.642 25484 5874 1 13 . 1 1 42 42 VAL HA H 42 3.745 3.745 4.058 -0.313 25484 5875 1 13 . 1 1 42 42 VAL C C 42 178.130 178.130 177.540 0.590 25484 5876 1 13 . 1 1 42 42 VAL CA C 42 66.760 66.760 63.716 3.044 25484 5877 1 13 . 1 1 42 42 VAL CB C 42 31.520 31.520 32.435 -0.915 25484 5878 1 13 . 1 1 42 42 VAL H H 42 7.760 7.760 7.693 0.067 25484 5879 1 13 . 1 1 43 43 VAL N N 43 120.580 120.580 121.699 -1.119 25484 5880 1 13 . 1 1 43 43 VAL HA H 43 3.531 3.531 3.587 -0.056 25484 5881 1 13 . 1 1 43 43 VAL C C 43 179.310 179.310 178.440 0.870 25484 5882 1 13 . 1 1 43 43 VAL CA C 43 67.120 67.120 67.319 -0.199 25484 5883 1 13 . 1 1 43 43 VAL CB C 43 31.510 31.510 30.896 0.614 25484 5884 1 13 . 1 1 43 43 VAL H H 43 8.500 8.500 8.552 -0.052 25484 5885 1 13 . 1 1 44 44 GLN N N 44 119.280 119.280 116.594 2.686 25484 5886 1 13 . 1 1 44 44 GLN HA H 44 4.010 4.010 4.053 -0.043 25484 5887 1 13 . 1 1 44 44 GLN C C 44 179.330 179.330 178.456 0.874 25484 5888 1 13 . 1 1 44 44 GLN CA C 44 59.060 59.060 58.886 0.174 25484 5889 1 13 . 1 1 44 44 GLN CB C 44 28.030 28.030 28.222 -0.192 25484 5890 1 13 . 1 1 44 44 GLN H H 44 8.400 8.400 8.596 -0.196 25484 5891 1 13 . 1 1 45 45 HIS N N 45 119.160 119.160 120.020 -0.860 25484 5892 1 13 . 1 1 45 45 HIS HA H 45 4.283 4.283 4.318 -0.035 25484 5893 1 13 . 1 1 45 45 HIS C C 45 178.250 178.250 177.277 0.973 25484 5894 1 13 . 1 1 45 45 HIS CA C 45 59.950 59.950 59.748 0.202 25484 5895 1 13 . 1 1 45 45 HIS CB C 45 27.150 27.150 29.866 -2.716 25484 5896 1 13 . 1 1 45 45 HIS H H 45 8.190 8.190 7.968 0.222 25484 5897 1 13 . 1 1 46 46 THR N N 46 111.110 111.110 114.733 -3.623 25484 5898 1 13 . 1 1 46 46 THR HA H 46 3.859 3.859 4.017 -0.158 25484 5899 1 13 . 1 1 46 46 THR C C 46 176.350 176.350 177.455 -1.105 25484 5900 1 13 . 1 1 46 46 THR CA C 46 65.670 65.670 66.341 -0.671 25484 5901 1 13 . 1 1 46 46 THR CB C 46 69.190 69.190 68.853 0.337 25484 5902 1 13 . 1 1 46 46 THR H H 46 7.980 7.980 8.428 -0.448 25484 5903 1 13 . 1 1 47 47 LYS N N 47 120.510 120.510 120.804 -0.294 25484 5904 1 13 . 1 1 47 47 LYS HA H 47 4.090 4.090 4.128 -0.038 25484 5905 1 13 . 1 1 47 47 LYS C C 47 178.150 178.150 178.757 -0.607 25484 5906 1 13 . 1 1 47 47 LYS CA C 47 58.750 58.750 59.331 -0.581 25484 5907 1 13 . 1 1 47 47 LYS CB C 47 32.360 32.360 32.375 -0.015 25484 5908 1 13 . 1 1 47 47 LYS H H 47 7.410 7.410 7.636 -0.226 25484 5909 1 13 . 1 1 48 48 GLY N N 48 104.210 104.210 105.385 -1.175 25484 5910 1 13 . 1 1 48 48 GLY C C 48 174.220 174.220 174.566 -0.346 25484 5911 1 13 . 1 1 48 48 GLY CA C 48 44.753 44.753 45.581 -0.828 25484 5912 1 13 . 1 1 48 48 GLY H H 48 7.180 7.180 8.053 -0.873 25484 5913 1 13 . 1 1 49 49 CYS N N 49 123.560 123.560 121.250 2.310 25484 5914 1 13 . 1 1 49 49 CYS HA H 49 4.010 4.010 4.465 -0.455 25484 5915 1 13 . 1 1 49 49 CYS C C 49 177.230 177.230 174.426 2.804 25484 5916 1 13 . 1 1 49 49 CYS CA C 49 61.230 61.230 57.753 3.477 25484 5917 1 13 . 1 1 49 49 CYS CB C 49 29.850 29.850 26.588 3.261 25484 5918 1 13 . 1 1 49 49 CYS H H 49 6.981 6.981 7.841 -0.860 25484 5919 1 13 . 1 1 50 50 LYS N N 50 128.350 128.350 122.512 5.838 25484 5920 1 13 . 1 1 50 50 LYS HA H 50 4.524 4.524 4.069 0.455 25484 5921 1 13 . 1 1 50 50 LYS C C 50 178.040 178.040 177.589 0.451 25484 5922 1 13 . 1 1 50 50 LYS CA C 50 56.750 56.750 57.931 -1.181 25484 5923 1 13 . 1 1 50 50 LYS CB C 50 32.950 32.950 31.856 1.094 25484 5924 1 13 . 1 1 50 50 LYS H H 50 8.999 8.999 8.046 0.953 25484 5925 1 13 . 1 1 51 51 ARG N N 51 122.550 122.550 118.299 4.251 25484 5926 1 13 . 1 1 51 51 ARG HA H 51 4.428 4.428 4.131 0.297 25484 5927 1 13 . 1 1 51 51 ARG C C 51 177.410 177.410 178.384 -0.974 25484 5928 1 13 . 1 1 51 51 ARG CA C 51 57.750 57.750 57.054 0.696 25484 5929 1 13 . 1 1 51 51 ARG CB C 51 31.860 31.860 28.890 2.970 25484 5930 1 13 . 1 1 51 51 ARG H H 51 8.558 8.558 8.368 0.190 25484 5931 1 13 . 1 1 52 52 LYS N N 52 119.040 119.040 120.650 -1.610 25484 5932 1 13 . 1 1 52 52 LYS HA H 52 4.534 4.534 4.026 0.508 25484 5933 1 13 . 1 1 52 52 LYS C C 52 177.610 177.610 178.531 -0.921 25484 5934 1 13 . 1 1 52 52 LYS CA C 52 57.970 57.970 60.085 -2.115 25484 5935 1 13 . 1 1 52 52 LYS CB C 52 32.350 32.350 31.950 0.400 25484 5936 1 13 . 1 1 52 52 LYS H H 52 8.490 8.490 8.192 0.298 25484 5937 1 13 . 1 1 53 53 THR N N 53 113.034 113.034 108.166 4.868 25484 5938 1 13 . 1 1 53 53 THR HA H 53 4.160 4.160 4.298 -0.138 25484 5939 1 13 . 1 1 53 53 THR C C 53 175.610 175.610 176.831 -1.221 25484 5940 1 13 . 1 1 53 53 THR CA C 53 64.050 64.050 64.208 -0.158 25484 5941 1 13 . 1 1 53 53 THR CB C 53 69.120 69.120 68.848 0.272 25484 5942 1 13 . 1 1 53 53 THR H H 53 7.760 7.760 8.141 -0.381 25484 5943 1 13 . 1 1 54 54 ASN N N 54 119.860 119.860 121.995 -2.135 25484 5944 1 13 . 1 1 54 54 ASN HA H 54 4.920 4.920 4.561 0.359 25484 5945 1 13 . 1 1 54 54 ASN C C 54 176.330 176.330 176.687 -0.357 25484 5946 1 13 . 1 1 54 54 ASN CA C 54 53.720 53.720 55.244 -1.524 25484 5947 1 13 . 1 1 54 54 ASN CB C 54 38.350 38.350 38.550 -0.200 25484 5948 1 13 . 1 1 54 54 ASN H H 54 8.290 8.290 7.985 0.305 25484 5949 1 13 . 1 1 55 55 GLY N N 55 107.570 107.570 103.295 4.275 25484 5950 1 13 . 1 1 55 55 GLY C C 55 175.660 175.660 174.504 1.156 25484 5951 1 13 . 1 1 55 55 GLY CA C 55 45.938 45.938 44.279 1.659 25484 5952 1 13 . 1 1 55 55 GLY H H 55 8.006 8.006 7.847 0.159 25484 5953 1 13 . 1 1 56 56 GLY N N 56 107.290 107.290 108.733 -1.443 25484 5954 1 13 . 1 1 56 56 GLY C C 56 173.710 173.710 174.738 -1.028 25484 5955 1 13 . 1 1 56 56 GLY CA C 56 45.570 45.570 45.450 0.120 25484 5956 1 13 . 1 1 56 56 GLY H H 56 7.840 7.840 7.635 0.205 25484 5957 1 13 . 1 1 57 57 CYS N N 57 122.730 122.730 120.412 2.318 25484 5958 1 13 . 1 1 57 57 CYS HA H 57 4.505 4.505 4.845 -0.340 25484 5959 1 13 . 1 1 57 57 CYS C C 57 175.090 175.090 173.398 1.692 25484 5960 1 13 . 1 1 57 57 CYS CA C 57 55.950 55.950 55.629 0.321 25484 5961 1 13 . 1 1 57 57 CYS CB C 57 30.760 30.760 28.873 1.887 25484 5962 1 13 . 1 1 57 57 CYS H H 57 8.048 8.048 7.855 0.193 25484 5963 1 13 . 1 1 58 58 PRO HA H 58 4.338 4.338 4.702 -0.364 25484 5964 1 13 . 1 1 58 58 PRO CA C 58 65.050 65.050 62.794 2.256 25484 5965 1 13 . 1 1 58 58 PRO CB C 58 32.620 32.620 30.552 2.068 25484 5966 1 13 . 1 1 59 59 ILE N N 59 121.256 121.256 123.045 -1.789 25484 5967 1 13 . 1 1 59 59 ILE HA H 59 3.818 3.818 4.212 -0.394 25484 5968 1 13 . 1 1 59 59 ILE C C 59 178.820 178.820 176.323 2.497 25484 5969 1 13 . 1 1 59 59 ILE CA C 59 64.590 64.590 63.050 1.540 25484 5970 1 13 . 1 1 59 59 ILE CB C 59 38.890 38.890 38.963 -0.073 25484 5971 1 13 . 1 1 59 59 ILE H H 59 7.900 7.900 8.808 -0.908 25484 5972 1 13 . 1 1 60 60 CYS N N 60 123.970 123.970 119.808 4.162 25484 5973 1 13 . 1 1 60 60 CYS HA H 60 4.117 4.117 4.109 0.008 25484 5974 1 13 . 1 1 60 60 CYS C C 60 178.110 178.110 176.755 1.355 25484 5975 1 13 . 1 1 60 60 CYS CA C 60 66.090 66.090 63.871 2.219 25484 5976 1 13 . 1 1 60 60 CYS CB C 60 29.150 29.150 27.131 2.019 25484 5977 1 13 . 1 1 60 60 CYS H H 60 8.914 8.914 8.366 0.548 25484 5978 1 13 . 1 1 61 61 LYS N N 61 117.210 117.210 119.960 -2.750 25484 5979 1 13 . 1 1 61 61 LYS HA H 61 3.910 3.910 4.107 -0.197 25484 5980 1 13 . 1 1 61 61 LYS C C 61 179.460 179.460 178.296 1.164 25484 5981 1 13 . 1 1 61 61 LYS CA C 61 59.970 59.970 59.548 0.422 25484 5982 1 13 . 1 1 61 61 LYS CB C 61 32.650 32.650 32.369 0.281 25484 5983 1 13 . 1 1 61 61 LYS H H 61 8.090 8.090 8.249 -0.159 25484 5984 1 13 . 1 1 62 62 GLN N N 62 117.780 117.780 119.248 -1.468 25484 5985 1 13 . 1 1 62 62 GLN HA H 62 4.203 4.203 4.181 0.022 25484 5986 1 13 . 1 1 62 62 GLN C C 62 178.564 178.564 178.704 -0.140 25484 5987 1 13 . 1 1 62 62 GLN CA C 62 58.450 58.450 58.346 0.104 25484 5988 1 13 . 1 1 62 62 GLN CB C 62 29.140 29.140 28.936 0.204 25484 5989 1 13 . 1 1 62 62 GLN H H 62 7.360 7.360 7.582 -0.222 25484 5990 1 13 . 1 1 63 63 LEU N N 63 119.930 119.930 123.340 -3.410 25484 5991 1 13 . 1 1 63 63 LEU HA H 63 4.218 4.218 4.142 0.076 25484 5992 1 13 . 1 1 63 63 LEU C C 63 179.440 179.440 177.890 1.550 25484 5993 1 13 . 1 1 63 63 LEU CA C 63 58.550 58.550 57.752 0.798 25484 5994 1 13 . 1 1 63 63 LEU CB C 63 41.910 41.910 41.831 0.079 25484 5995 1 13 . 1 1 63 63 LEU H H 63 8.075 8.075 8.828 -0.753 25484 5996 1 13 . 1 1 64 64 ILE N N 64 120.280 120.280 120.048 0.232 25484 5997 1 13 . 1 1 64 64 ILE HA H 64 3.600 3.600 3.687 -0.087 25484 5998 1 13 . 1 1 64 64 ILE C C 64 177.950 177.950 178.094 -0.144 25484 5999 1 13 . 1 1 64 64 ILE CA C 64 65.250 65.250 65.686 -0.436 25484 6000 1 13 . 1 1 64 64 ILE CB C 64 37.320 37.320 37.503 -0.183 25484 6001 1 13 . 1 1 64 64 ILE H H 64 8.466 8.466 8.695 -0.229 25484 6002 1 13 . 1 1 65 65 ALA N N 65 122.590 122.590 122.444 0.146 25484 6003 1 13 . 1 1 65 65 ALA HA H 65 4.185 4.185 3.941 0.244 25484 6004 1 13 . 1 1 65 65 ALA C C 65 181.010 181.010 179.370 1.640 25484 6005 1 13 . 1 1 65 65 ALA CA C 65 55.220 55.220 55.400 -0.180 25484 6006 1 13 . 1 1 65 65 ALA CB C 65 18.450 18.450 18.206 0.244 25484 6007 1 13 . 1 1 65 65 ALA H H 65 7.496 7.496 8.156 -0.660 25484 6008 1 13 . 1 1 66 66 LEU N N 66 115.599 115.599 120.638 -5.039 25484 6009 1 13 . 1 1 66 66 LEU HA H 66 4.100 4.100 4.032 0.068 25484 6010 1 13 . 1 1 66 66 LEU C C 66 179.380 179.380 179.183 0.197 25484 6011 1 13 . 1 1 66 66 LEU CA C 66 57.930 57.930 57.858 0.072 25484 6012 1 13 . 1 1 66 66 LEU CB C 66 41.410 41.410 41.588 -0.178 25484 6013 1 13 . 1 1 66 66 LEU H H 66 8.139 8.139 8.206 -0.067 25484 6014 1 13 . 1 1 67 67 ALA N N 67 122.670 122.670 120.587 2.083 25484 6015 1 13 . 1 1 67 67 ALA HA H 67 3.958 3.958 4.018 -0.060 25484 6016 1 13 . 1 1 67 67 ALA C C 67 180.060 180.060 179.585 0.475 25484 6017 1 13 . 1 1 67 67 ALA CA C 67 55.750 55.750 55.312 0.438 25484 6018 1 13 . 1 1 67 67 ALA CB C 67 19.220 19.220 18.155 1.065 25484 6019 1 13 . 1 1 67 67 ALA H H 67 8.770 8.770 9.007 -0.237 25484 6020 1 13 . 1 1 68 68 ALA N N 68 120.580 120.580 121.585 -1.005 25484 6021 1 13 . 1 1 68 68 ALA HA H 68 4.142 4.142 4.171 -0.029 25484 6022 1 13 . 1 1 68 68 ALA C C 68 179.540 179.540 179.736 -0.196 25484 6023 1 13 . 1 1 68 68 ALA CA C 68 55.450 55.450 54.891 0.559 25484 6024 1 13 . 1 1 68 68 ALA CB C 68 18.220 18.220 18.428 -0.208 25484 6025 1 13 . 1 1 68 68 ALA H H 68 8.604 8.604 8.293 0.311 25484 6026 1 13 . 1 1 69 69 TYR HA H 69 4.345 4.345 4.409 -0.064 25484 6027 1 13 . 1 1 69 69 TYR CA C 69 57.750 57.750 60.121 -2.371 25484 6028 1 13 . 1 1 69 69 TYR CB C 69 38.580 38.580 37.308 1.272 25484 6029 1 13 . 1 1 71 71 ALA HA H 71 4.000 4.000 3.937 0.063 25484 6030 1 13 . 1 1 71 71 ALA C C 71 179.540 179.540 180.156 -0.616 25484 6031 1 13 . 1 1 71 71 ALA CA C 71 54.850 54.850 55.138 -0.288 25484 6032 1 13 . 1 1 71 71 ALA CB C 71 19.650 19.650 18.072 1.578 25484 6033 1 13 . 1 1 72 72 LYS N N 72 114.680 114.680 117.329 -2.649 25484 6034 1 13 . 1 1 72 72 LYS HA H 72 3.904 3.904 3.948 -0.044 25484 6035 1 13 . 1 1 72 72 LYS C C 72 177.120 177.120 177.890 -0.770 25484 6036 1 13 . 1 1 72 72 LYS CA C 72 58.230 58.230 58.748 -0.518 25484 6037 1 13 . 1 1 72 72 LYS CB C 72 32.340 32.340 32.489 -0.148 25484 6038 1 13 . 1 1 72 72 LYS H H 72 7.080 7.080 8.238 -1.158 25484 6039 1 13 . 1 1 73 73 HIS N N 73 113.498 113.498 112.547 0.951 25484 6040 1 13 . 1 1 73 73 HIS HA H 73 4.826 4.826 4.723 0.103 25484 6041 1 13 . 1 1 73 73 HIS C C 73 173.660 173.660 174.600 -0.940 25484 6042 1 13 . 1 1 73 73 HIS CA C 73 54.380 54.380 55.931 -1.550 25484 6043 1 13 . 1 1 73 73 HIS CB C 73 30.350 30.350 30.618 -0.268 25484 6044 1 13 . 1 1 73 73 HIS H H 73 7.250 7.250 7.841 -0.591 25484 6045 1 13 . 1 1 74 74 CYS N N 74 123.830 123.830 121.615 2.215 25484 6046 1 13 . 1 1 74 74 CYS HA H 74 4.150 4.150 4.326 -0.176 25484 6047 1 13 . 1 1 74 74 CYS C C 74 176.480 176.480 173.771 2.709 25484 6048 1 13 . 1 1 74 74 CYS CA C 74 60.250 60.250 57.251 2.999 25484 6049 1 13 . 1 1 74 74 CYS CB C 74 29.930 29.930 27.192 2.738 25484 6050 1 13 . 1 1 74 74 CYS H H 74 7.140 7.140 7.571 -0.431 25484 6051 1 13 . 1 1 75 75 GLN N N 75 128.740 128.740 127.257 1.483 25484 6052 1 13 . 1 1 75 75 GLN HA H 75 4.685 4.685 4.410 0.275 25484 6053 1 13 . 1 1 75 75 GLN C C 75 176.090 176.090 175.224 0.866 25484 6054 1 13 . 1 1 75 75 GLN CA C 75 54.900 54.900 54.979 -0.079 25484 6055 1 13 . 1 1 75 75 GLN CB C 75 29.840 29.840 27.611 2.229 25484 6056 1 13 . 1 1 75 75 GLN H H 75 9.088 9.088 8.647 0.441 25484 6057 1 13 . 1 1 76 76 GLU N N 76 123.190 123.190 124.015 -0.825 25484 6058 1 13 . 1 1 76 76 GLU HA H 76 4.480 4.480 4.547 -0.067 25484 6059 1 13 . 1 1 76 76 GLU C C 76 177.030 177.030 174.885 2.145 25484 6060 1 13 . 1 1 76 76 GLU CA C 76 56.210 56.210 55.525 0.685 25484 6061 1 13 . 1 1 76 76 GLU CB C 76 30.660 30.660 32.778 -2.118 25484 6062 1 13 . 1 1 76 76 GLU H H 76 8.390 8.390 7.914 0.476 25484 6063 1 13 . 1 1 77 77 ASN N N 77 124.760 124.760 121.377 3.383 25484 6064 1 13 . 1 1 77 77 ASN HA H 77 4.549 4.549 4.823 -0.274 25484 6065 1 13 . 1 1 77 77 ASN C C 77 176.070 176.070 174.985 1.085 25484 6066 1 13 . 1 1 77 77 ASN CA C 77 55.100 55.100 52.189 2.911 25484 6067 1 13 . 1 1 77 77 ASN CB C 77 38.650 38.650 39.513 -0.863 25484 6068 1 13 . 1 1 77 77 ASN H H 77 8.848 8.848 8.697 0.151 25484 6069 1 13 . 1 1 78 78 LYS N N 78 120.810 120.810 121.211 -0.401 25484 6070 1 13 . 1 1 78 78 LYS HA H 78 4.460 4.460 4.320 0.140 25484 6071 1 13 . 1 1 78 78 LYS C C 78 175.230 175.230 175.816 -0.586 25484 6072 1 13 . 1 1 78 78 LYS CA C 78 54.920 54.920 56.457 -1.537 25484 6073 1 13 . 1 1 78 78 LYS CB C 78 31.020 31.020 33.406 -2.386 25484 6074 1 13 . 1 1 78 78 LYS H H 78 8.636 8.636 8.344 0.292 25484 6075 1 13 . 1 1 80 80 PRO HA H 80 4.710 4.710 4.497 0.213 25484 6076 1 13 . 1 1 80 80 PRO CA C 80 62.850 62.850 63.233 -0.383 25484 6077 1 13 . 1 1 80 80 PRO CB C 80 32.150 32.150 32.660 -0.510 25484 6078 1 13 . 1 1 81 81 VAL HA H 81 3.578 3.578 4.234 -0.656 25484 6079 1 13 . 1 1 81 81 VAL CA C 81 62.350 62.350 58.583 3.767 25484 6080 1 13 . 1 1 81 81 VAL CB C 81 31.616 31.616 32.281 -0.665 25484 6081 1 13 . 1 1 82 82 PRO HA H 82 4.850 4.850 3.869 0.981 25484 6082 1 13 . 1 1 82 82 PRO CA C 82 63.350 63.350 62.228 1.122 25484 6083 1 13 . 1 1 82 82 PRO CB C 82 32.050 32.050 32.205 -0.155 25484 6084 1 13 . 1 1 83 83 PHE HA H 83 4.160 4.160 4.282 -0.122 25484 6085 1 13 . 1 1 83 83 PHE CA C 83 58.950 58.950 59.344 -0.394 25484 6086 1 13 . 1 1 83 83 PHE CB C 83 38.250 38.250 36.502 1.748 25484 6087 1 13 . 1 1 84 84 CYS HA H 84 4.597 4.597 4.976 -0.379 25484 6088 1 13 . 1 1 84 84 CYS CA C 84 56.750 56.750 55.590 1.159 25484 6089 1 13 . 1 1 84 84 CYS CB C 84 30.150 30.150 29.938 0.212 25484 6090 1 13 . 1 1 85 85 LEU N N 85 119.930 119.930 120.544 -0.614 25484 6091 1 13 . 1 1 85 85 LEU HA H 85 3.958 3.958 3.988 -0.030 25484 6092 1 13 . 1 1 85 85 LEU CA C 85 59.350 59.350 57.092 2.258 25484 6093 1 13 . 1 1 85 85 LEU CB C 85 38.180 38.180 39.889 -1.710 25484 6094 1 13 . 1 1 85 85 LEU H H 85 8.220 8.220 8.793 -0.573 25484 6095 1 13 . 1 1 86 86 ASN N N 86 115.750 115.750 116.807 -1.057 25484 6096 1 13 . 1 1 86 86 ASN HA H 86 4.580 4.580 4.613 -0.033 25484 6097 1 13 . 1 1 86 86 ASN CA C 86 51.860 51.860 54.405 -2.545 25484 6098 1 13 . 1 1 86 86 ASN CB C 86 38.610 38.610 39.426 -0.816 25484 6099 1 13 . 1 1 86 86 ASN H H 86 7.789 7.789 8.106 -0.317 25484 6100 1 13 . 1 1 87 87 ILE N N 87 123.260 123.260 119.128 4.132 25484 6101 1 13 . 1 1 87 87 ILE HA H 87 4.220 4.220 3.912 0.308 25484 6102 1 13 . 1 1 87 87 ILE CA C 87 61.850 61.850 62.339 -0.489 25484 6103 1 13 . 1 1 87 87 ILE CB C 87 41.330 41.330 38.410 2.921 25484 6104 1 13 . 1 1 87 87 ILE H H 87 7.160 7.160 8.237 -1.077 25484 6105 1 13 . 1 1 88 88 LYS HA H 88 4.450 4.450 4.507 -0.057 25484 6106 1 13 . 1 1 88 88 LYS CA C 88 54.530 54.530 54.816 -0.286 25484 6107 1 13 . 1 1 88 88 LYS CB C 88 31.450 31.450 32.340 -0.890 25484 6108 1 13 . 1 1 89 89 GLN HA H 89 4.450 4.450 4.503 -0.053 25484 6109 1 13 . 1 1 89 89 GLN CA C 89 56.210 56.210 56.148 0.062 25484 6110 1 13 . 1 1 89 89 GLN CB C 89 29.250 29.250 28.553 0.697 25484 6111 1 14 . 1 1 2 2 THR HA H 2 4.415 4.415 4.346 0.069 25484 6112 1 14 . 1 1 2 2 THR C C 2 174.580 174.580 174.713 -0.133 25484 6113 1 14 . 1 1 2 2 THR CA C 2 62.450 62.450 62.670 -0.220 25484 6114 1 14 . 1 1 2 2 THR CB C 2 70.050 70.050 69.545 0.505 25484 6115 1 14 . 1 1 3 3 GLN N N 3 123.423 123.423 121.082 2.341 25484 6116 1 14 . 1 1 3 3 GLN HA H 3 4.480 4.480 4.531 -0.051 25484 6117 1 14 . 1 1 3 3 GLN C C 3 176.040 176.040 174.732 1.308 25484 6118 1 14 . 1 1 3 3 GLN CA C 3 55.950 55.950 54.914 1.036 25484 6119 1 14 . 1 1 3 3 GLN CB C 3 30.550 30.550 30.157 0.393 25484 6120 1 14 . 1 1 3 3 GLN H H 3 8.536 8.536 8.008 0.528 25484 6121 1 14 . 1 1 4 4 SER N N 4 119.390 119.390 117.978 1.412 25484 6122 1 14 . 1 1 4 4 SER HA H 4 4.834 4.834 4.232 0.602 25484 6123 1 14 . 1 1 4 4 SER C C 4 173.640 173.640 173.964 -0.324 25484 6124 1 14 . 1 1 4 4 SER CA C 4 56.250 56.250 58.630 -2.380 25484 6125 1 14 . 1 1 4 4 SER CB C 4 63.400 63.400 62.799 0.601 25484 6126 1 14 . 1 1 4 4 SER H H 4 8.150 8.150 8.250 -0.100 25484 6127 1 14 . 1 1 5 5 PRO HA H 5 4.480 4.480 4.376 0.104 25484 6128 1 14 . 1 1 5 5 PRO C C 5 178.180 178.180 176.195 1.985 25484 6129 1 14 . 1 1 5 5 PRO CA C 5 64.040 64.040 63.476 0.564 25484 6130 1 14 . 1 1 5 5 PRO CB C 5 32.120 32.120 32.049 0.071 25484 6131 1 14 . 1 1 6 6 GLY N N 6 108.600 108.600 105.828 2.772 25484 6132 1 14 . 1 1 6 6 GLY C C 6 174.930 174.930 174.309 0.621 25484 6133 1 14 . 1 1 6 6 GLY CA C 6 45.750 45.750 44.633 1.117 25484 6134 1 14 . 1 1 6 6 GLY H H 6 8.470 8.470 7.582 0.888 25484 6135 1 14 . 1 1 7 7 ASP N N 7 121.260 121.260 122.755 -1.495 25484 6136 1 14 . 1 1 7 7 ASP HA H 7 4.660 4.660 4.434 0.226 25484 6137 1 14 . 1 1 7 7 ASP C C 7 177.580 177.580 177.719 -0.139 25484 6138 1 14 . 1 1 7 7 ASP CA C 7 55.200 55.200 57.040 -1.840 25484 6139 1 14 . 1 1 7 7 ASP CB C 7 41.400 41.400 40.682 0.718 25484 6140 1 14 . 1 1 7 7 ASP H H 7 8.130 8.130 8.747 -0.617 25484 6141 1 14 . 1 1 8 8 SER N N 8 116.818 116.818 114.163 2.655 25484 6142 1 14 . 1 1 8 8 SER HA H 8 4.340 4.340 4.089 0.251 25484 6143 1 14 . 1 1 8 8 SER C C 8 176.310 176.310 176.454 -0.144 25484 6144 1 14 . 1 1 8 8 SER CA C 8 60.050 60.050 61.323 -1.273 25484 6145 1 14 . 1 1 8 8 SER CB C 8 63.190 63.190 62.760 0.430 25484 6146 1 14 . 1 1 8 8 SER H H 8 8.372 8.372 8.416 -0.044 25484 6147 1 14 . 1 1 9 9 ARG N N 9 123.150 123.150 121.914 1.236 25484 6148 1 14 . 1 1 9 9 ARG HA H 9 4.260 4.260 4.046 0.214 25484 6149 1 14 . 1 1 9 9 ARG C C 9 177.710 177.710 178.472 -0.762 25484 6150 1 14 . 1 1 9 9 ARG CA C 9 58.050 58.050 59.065 -1.015 25484 6151 1 14 . 1 1 9 9 ARG CB C 9 30.350 30.350 30.145 0.205 25484 6152 1 14 . 1 1 9 9 ARG H H 9 8.308 8.308 7.561 0.747 25484 6153 1 14 . 1 1 10 10 ARG N N 10 119.940 119.940 119.379 0.561 25484 6154 1 14 . 1 1 10 10 ARG HA H 10 4.110 4.110 4.062 0.048 25484 6155 1 14 . 1 1 10 10 ARG C C 10 178.180 178.180 178.777 -0.597 25484 6156 1 14 . 1 1 10 10 ARG CA C 10 58.420 58.420 59.333 -0.913 25484 6157 1 14 . 1 1 10 10 ARG CB C 10 30.260 30.260 30.146 0.114 25484 6158 1 14 . 1 1 10 10 ARG H H 10 8.075 8.075 7.556 0.519 25484 6159 1 14 . 1 1 11 11 LEU N N 11 121.060 121.060 120.607 0.453 25484 6160 1 14 . 1 1 11 11 LEU HA H 11 4.225 4.225 3.924 0.301 25484 6161 1 14 . 1 1 11 11 LEU C C 11 179.950 179.950 178.964 0.986 25484 6162 1 14 . 1 1 11 11 LEU CA C 11 57.450 57.450 58.468 -1.018 25484 6163 1 14 . 1 1 11 11 LEU CB C 11 41.910 41.910 41.590 0.320 25484 6164 1 14 . 1 1 11 11 LEU H H 11 8.160 8.160 8.765 -0.605 25484 6165 1 14 . 1 1 12 12 SER N N 12 116.470 116.470 112.762 3.708 25484 6166 1 14 . 1 1 12 12 SER HA H 12 4.317 4.317 4.187 0.130 25484 6167 1 14 . 1 1 12 12 SER C C 12 176.960 176.960 176.389 0.571 25484 6168 1 14 . 1 1 12 12 SER CA C 12 60.760 60.760 60.649 0.111 25484 6169 1 14 . 1 1 12 12 SER CB C 12 63.350 63.350 63.011 0.339 25484 6170 1 14 . 1 1 12 12 SER H H 12 8.179 8.179 8.330 -0.151 25484 6171 1 14 . 1 1 13 13 ILE N N 13 123.740 123.740 122.280 1.460 25484 6172 1 14 . 1 1 13 13 ILE HA H 13 3.690 3.690 3.750 -0.060 25484 6173 1 14 . 1 1 13 13 ILE C C 13 177.660 177.660 177.388 0.272 25484 6174 1 14 . 1 1 13 13 ILE CA C 13 64.930 64.930 64.316 0.614 25484 6175 1 14 . 1 1 13 13 ILE CB C 13 37.650 37.650 37.722 -0.072 25484 6176 1 14 . 1 1 13 13 ILE H H 13 8.130 8.130 7.792 0.338 25484 6177 1 14 . 1 1 14 14 GLN N N 14 119.220 119.220 120.898 -1.678 25484 6178 1 14 . 1 1 14 14 GLN HA H 14 4.040 4.040 3.802 0.238 25484 6179 1 14 . 1 1 14 14 GLN C C 14 179.490 179.490 178.594 0.896 25484 6180 1 14 . 1 1 14 14 GLN CA C 14 59.750 59.750 60.015 -0.265 25484 6181 1 14 . 1 1 14 14 GLN CB C 14 27.730 27.730 28.434 -0.704 25484 6182 1 14 . 1 1 14 14 GLN H H 14 8.113 8.113 8.952 -0.839 25484 6183 1 14 . 1 1 15 15 ARG N N 15 119.160 119.160 117.903 1.257 25484 6184 1 14 . 1 1 15 15 ARG HA H 15 4.150 4.150 4.318 -0.168 25484 6185 1 14 . 1 1 15 15 ARG C C 15 179.460 179.460 178.255 1.205 25484 6186 1 14 . 1 1 15 15 ARG CA C 15 59.150 59.150 59.057 0.093 25484 6187 1 14 . 1 1 15 15 ARG CB C 15 30.090 30.090 30.073 0.017 25484 6188 1 14 . 1 1 15 15 ARG H H 15 8.200 8.200 8.678 -0.478 25484 6189 1 14 . 1 1 16 16 ALA N N 16 124.140 124.140 124.175 -0.035 25484 6190 1 14 . 1 1 16 16 ALA HA H 16 3.990 3.990 4.164 -0.174 25484 6191 1 14 . 1 1 16 16 ALA C C 16 180.230 180.230 179.784 0.446 25484 6192 1 14 . 1 1 16 16 ALA CA C 16 55.550 55.550 54.827 0.723 25484 6193 1 14 . 1 1 16 16 ALA CB C 16 18.750 18.750 18.529 0.221 25484 6194 1 14 . 1 1 16 16 ALA H H 16 8.071 8.071 7.515 0.556 25484 6195 1 14 . 1 1 17 17 ILE N N 17 118.180 118.180 119.960 -1.780 25484 6196 1 14 . 1 1 17 17 ILE HA H 17 3.712 3.712 3.433 0.279 25484 6197 1 14 . 1 1 17 17 ILE C C 17 178.210 178.210 177.911 0.299 25484 6198 1 14 . 1 1 17 17 ILE CA C 17 64.870 64.870 66.029 -1.159 25484 6199 1 14 . 1 1 17 17 ILE CB C 17 37.640 37.640 37.814 -0.174 25484 6200 1 14 . 1 1 17 17 ILE H H 17 8.534 8.534 8.769 -0.235 25484 6201 1 14 . 1 1 18 18 GLN N N 18 118.960 118.960 118.851 0.109 25484 6202 1 14 . 1 1 18 18 GLN HA H 18 4.134 4.134 3.802 0.332 25484 6203 1 14 . 1 1 18 18 GLN C C 18 180.050 180.050 178.694 1.356 25484 6204 1 14 . 1 1 18 18 GLN CA C 18 59.340 59.340 59.625 -0.285 25484 6205 1 14 . 1 1 18 18 GLN CB C 18 28.030 28.030 28.514 -0.484 25484 6206 1 14 . 1 1 18 18 GLN H H 18 8.200 8.200 8.980 -0.780 25484 6207 1 14 . 1 1 19 19 SER N N 19 116.320 116.320 116.411 -0.091 25484 6208 1 14 . 1 1 19 19 SER HA H 19 4.388 4.388 4.156 0.232 25484 6209 1 14 . 1 1 19 19 SER C C 19 176.460 176.460 176.365 0.095 25484 6210 1 14 . 1 1 19 19 SER CA C 19 62.250 62.250 62.462 -0.212 25484 6211 1 14 . 1 1 19 19 SER CB C 19 63.270 63.270 63.015 0.255 25484 6212 1 14 . 1 1 19 19 SER H H 19 8.190 8.190 8.255 -0.065 25484 6213 1 14 . 1 1 20 20 LEU N N 20 125.540 125.540 123.983 1.557 25484 6214 1 14 . 1 1 20 20 LEU HA H 20 4.075 4.075 4.009 0.066 25484 6215 1 14 . 1 1 20 20 LEU C C 20 177.640 177.640 178.370 -0.730 25484 6216 1 14 . 1 1 20 20 LEU CA C 20 58.750 58.750 58.465 0.285 25484 6217 1 14 . 1 1 20 20 LEU CB C 20 42.390 42.390 41.914 0.476 25484 6218 1 14 . 1 1 20 20 LEU H H 20 8.290 8.290 7.948 0.342 25484 6219 1 14 . 1 1 21 21 VAL N N 21 118.690 118.690 118.650 0.040 25484 6220 1 14 . 1 1 21 21 VAL HA H 21 3.356 3.356 3.557 -0.201 25484 6221 1 14 . 1 1 21 21 VAL C C 21 178.770 178.770 177.644 1.126 25484 6222 1 14 . 1 1 21 21 VAL CA C 21 66.850 66.850 67.442 -0.591 25484 6223 1 14 . 1 1 21 21 VAL CB C 21 31.450 31.450 31.337 0.113 25484 6224 1 14 . 1 1 21 21 VAL H H 21 8.532 8.532 8.951 -0.419 25484 6225 1 14 . 1 1 22 22 HIS N N 22 116.230 116.230 119.488 -3.258 25484 6226 1 14 . 1 1 22 22 HIS HA H 22 4.230 4.230 4.211 0.019 25484 6227 1 14 . 1 1 22 22 HIS C C 22 178.420 178.420 177.143 1.277 25484 6228 1 14 . 1 1 22 22 HIS CA C 22 59.980 59.980 60.181 -0.202 25484 6229 1 14 . 1 1 22 22 HIS CB C 22 27.830 27.830 29.789 -1.959 25484 6230 1 14 . 1 1 22 22 HIS H H 22 7.980 7.980 8.381 -0.401 25484 6231 1 14 . 1 1 23 23 ALA N N 23 121.520 121.520 121.505 0.015 25484 6232 1 14 . 1 1 23 23 ALA HA H 23 4.225 4.225 4.208 0.017 25484 6233 1 14 . 1 1 23 23 ALA C C 23 179.540 179.540 178.564 0.976 25484 6234 1 14 . 1 1 23 23 ALA CA C 23 55.250 55.250 54.833 0.417 25484 6235 1 14 . 1 1 23 23 ALA CB C 23 19.550 19.550 18.612 0.938 25484 6236 1 14 . 1 1 23 23 ALA H H 23 8.640 8.640 8.507 0.133 25484 6237 1 14 . 1 1 24 24 ALA N N 24 116.860 116.860 119.611 -2.751 25484 6238 1 14 . 1 1 24 24 ALA HA H 24 4.100 4.100 4.030 0.070 25484 6239 1 14 . 1 1 24 24 ALA C C 24 178.130 178.130 179.361 -1.231 25484 6240 1 14 . 1 1 24 24 ALA CA C 24 54.090 54.090 54.464 -0.374 25484 6241 1 14 . 1 1 24 24 ALA CB C 24 18.750 18.750 18.740 0.010 25484 6242 1 14 . 1 1 24 24 ALA H H 24 8.260 8.260 7.833 0.427 25484 6243 1 14 . 1 1 25 25 GLN N N 25 112.450 112.450 116.471 -4.021 25484 6244 1 14 . 1 1 25 25 GLN HA H 25 4.495 4.495 4.184 0.311 25484 6245 1 14 . 1 1 25 25 GLN C C 25 174.940 174.940 175.348 -0.408 25484 6246 1 14 . 1 1 25 25 GLN CA C 25 54.650 54.650 56.474 -1.824 25484 6247 1 14 . 1 1 25 25 GLN CB C 25 30.650 30.650 30.184 0.466 25484 6248 1 14 . 1 1 25 25 GLN H H 25 7.260 7.260 8.452 -1.192 25484 6249 1 14 . 1 1 26 26 CYS N N 26 124.510 124.510 119.755 4.755 25484 6250 1 14 . 1 1 26 26 CYS HA H 26 3.915 3.915 4.215 -0.300 25484 6251 1 14 . 1 1 26 26 CYS C C 26 176.690 176.690 173.390 3.300 25484 6252 1 14 . 1 1 26 26 CYS CA C 26 60.980 60.980 58.332 2.648 25484 6253 1 14 . 1 1 26 26 CYS CB C 26 29.350 29.350 28.588 0.762 25484 6254 1 14 . 1 1 26 26 CYS H H 26 7.365 7.365 8.396 -1.031 25484 6255 1 14 . 1 1 27 27 ARG N N 27 129.870 129.870 127.595 2.275 25484 6256 1 14 . 1 1 27 27 ARG HA H 27 4.635 4.635 4.473 0.162 25484 6257 1 14 . 1 1 27 27 ARG C C 27 175.660 175.660 173.923 1.737 25484 6258 1 14 . 1 1 27 27 ARG CA C 27 54.550 54.550 54.772 -0.222 25484 6259 1 14 . 1 1 27 27 ARG CB C 27 30.350 30.350 28.954 1.396 25484 6260 1 14 . 1 1 27 27 ARG H H 27 8.880 8.880 8.410 0.470 25484 6261 1 14 . 1 1 28 28 ASN N N 28 120.810 120.810 121.826 -1.016 25484 6262 1 14 . 1 1 28 28 ASN HA H 28 4.870 4.870 4.781 0.089 25484 6263 1 14 . 1 1 28 28 ASN C C 28 176.120 176.120 175.134 0.986 25484 6264 1 14 . 1 1 28 28 ASN CA C 28 51.930 51.930 53.255 -1.325 25484 6265 1 14 . 1 1 28 28 ASN CB C 28 39.060 39.060 40.501 -1.441 25484 6266 1 14 . 1 1 28 28 ASN H H 28 7.980 7.980 8.024 -0.044 25484 6267 1 14 . 1 1 29 29 ALA N N 29 130.470 130.470 126.979 3.491 25484 6268 1 14 . 1 1 29 29 ALA HA H 29 4.133 4.133 4.162 -0.029 25484 6269 1 14 . 1 1 29 29 ALA C C 29 178.380 178.380 177.159 1.221 25484 6270 1 14 . 1 1 29 29 ALA CA C 29 54.290 54.290 54.041 0.249 25484 6271 1 14 . 1 1 29 29 ALA CB C 29 18.370 18.370 19.177 -0.807 25484 6272 1 14 . 1 1 29 29 ALA H H 29 9.134 9.134 8.550 0.584 25484 6273 1 14 . 1 1 30 30 ASN N N 30 114.590 114.590 114.624 -0.034 25484 6274 1 14 . 1 1 30 30 ASN HA H 30 4.875 4.875 4.984 -0.109 25484 6275 1 14 . 1 1 30 30 ASN C C 30 174.530 174.530 174.384 0.146 25484 6276 1 14 . 1 1 30 30 ASN CA C 30 51.930 51.930 51.203 0.727 25484 6277 1 14 . 1 1 30 30 ASN CB C 30 38.910 38.910 38.329 0.581 25484 6278 1 14 . 1 1 30 30 ASN H H 30 8.114 8.114 8.081 0.033 25484 6279 1 14 . 1 1 31 31 CYS N N 31 123.270 123.270 121.829 1.441 25484 6280 1 14 . 1 1 31 31 CYS HA H 31 4.050 4.050 4.199 -0.149 25484 6281 1 14 . 1 1 31 31 CYS C C 31 177.170 177.170 173.458 3.712 25484 6282 1 14 . 1 1 31 31 CYS CA C 31 61.880 61.880 61.119 0.761 25484 6283 1 14 . 1 1 31 31 CYS CB C 31 30.010 30.010 28.484 1.526 25484 6284 1 14 . 1 1 31 31 CYS H H 31 7.210 7.210 7.352 -0.142 25484 6285 1 14 . 1 1 32 32 SER N N 32 124.300 124.300 122.007 2.293 25484 6286 1 14 . 1 1 32 32 SER HA H 32 4.609 4.609 4.650 -0.041 25484 6287 1 14 . 1 1 32 32 SER C C 32 175.020 175.020 173.330 1.690 25484 6288 1 14 . 1 1 32 32 SER CA C 32 58.010 58.010 57.925 0.085 25484 6289 1 14 . 1 1 32 32 SER CB C 32 64.120 64.120 63.152 0.968 25484 6290 1 14 . 1 1 32 32 SER H H 32 8.767 8.767 8.375 0.392 25484 6291 1 14 . 1 1 33 33 LEU N N 33 128.860 128.860 127.847 1.013 25484 6292 1 14 . 1 1 33 33 LEU HA H 33 4.538 4.538 4.970 -0.432 25484 6293 1 14 . 1 1 33 33 LEU C C 33 177.230 177.230 174.834 2.396 25484 6294 1 14 . 1 1 33 33 LEU CA C 33 54.450 54.450 51.553 2.897 25484 6295 1 14 . 1 1 33 33 LEU CB C 33 40.970 40.970 43.551 -2.581 25484 6296 1 14 . 1 1 33 33 LEU H H 33 8.546 8.546 7.442 1.104 25484 6297 1 14 . 1 1 34 34 PRO HA H 34 4.370 4.370 4.540 -0.170 25484 6298 1 14 . 1 1 34 34 PRO C C 34 178.640 178.640 178.182 0.458 25484 6299 1 14 . 1 1 34 34 PRO CA C 34 65.530 65.530 65.423 0.107 25484 6300 1 14 . 1 1 34 34 PRO CB C 34 31.970 31.970 31.818 0.152 25484 6301 1 14 . 1 1 35 35 SER N N 35 111.940 111.940 112.380 -0.440 25484 6302 1 14 . 1 1 35 35 SER HA H 35 4.127 4.127 4.378 -0.251 25484 6303 1 14 . 1 1 35 35 SER C C 35 174.750 174.750 176.417 -1.667 25484 6304 1 14 . 1 1 35 35 SER CA C 35 60.100 60.100 60.413 -0.313 25484 6305 1 14 . 1 1 35 35 SER CB C 35 62.910 62.910 62.637 0.273 25484 6306 1 14 . 1 1 35 35 SER H H 35 8.350 8.350 8.615 -0.265 25484 6307 1 14 . 1 1 36 36 CYS N N 36 125.790 125.790 123.916 1.874 25484 6308 1 14 . 1 1 36 36 CYS HA H 36 4.215 4.215 4.213 0.002 25484 6309 1 14 . 1 1 36 36 CYS C C 36 177.070 177.070 176.367 0.703 25484 6310 1 14 . 1 1 36 36 CYS CA C 36 63.900 63.900 61.686 2.214 25484 6311 1 14 . 1 1 36 36 CYS CB C 36 29.650 29.650 27.053 2.597 25484 6312 1 14 . 1 1 36 36 CYS H H 36 7.490 7.490 8.187 -0.697 25484 6313 1 14 . 1 1 37 37 GLN N N 37 115.860 115.860 119.029 -3.169 25484 6314 1 14 . 1 1 37 37 GLN HA H 37 4.010 4.010 3.821 0.189 25484 6315 1 14 . 1 1 37 37 GLN C C 37 179.690 179.690 178.360 1.330 25484 6316 1 14 . 1 1 37 37 GLN CA C 37 59.980 59.980 59.320 0.660 25484 6317 1 14 . 1 1 37 37 GLN CB C 37 27.820 27.820 28.233 -0.413 25484 6318 1 14 . 1 1 37 37 GLN H H 37 8.170 8.170 8.697 -0.527 25484 6319 1 14 . 1 1 38 38 LYS N N 38 117.470 117.470 119.603 -2.133 25484 6320 1 14 . 1 1 38 38 LYS HA H 38 4.060 4.060 4.001 0.059 25484 6321 1 14 . 1 1 38 38 LYS C C 38 179.230 179.230 179.250 -0.020 25484 6322 1 14 . 1 1 38 38 LYS CA C 38 59.450 59.450 59.216 0.234 25484 6323 1 14 . 1 1 38 38 LYS CB C 38 32.650 32.650 32.178 0.472 25484 6324 1 14 . 1 1 38 38 LYS H H 38 7.920 7.920 7.834 0.086 25484 6325 1 14 . 1 1 39 39 MET N N 39 118.050 118.050 117.780 0.270 25484 6326 1 14 . 1 1 39 39 MET HA H 39 4.559 4.559 4.161 0.398 25484 6327 1 14 . 1 1 39 39 MET C C 39 179.720 179.720 178.486 1.234 25484 6328 1 14 . 1 1 39 39 MET CA C 39 57.250 57.250 58.251 -1.001 25484 6329 1 14 . 1 1 39 39 MET CB C 39 32.550 32.550 32.185 0.365 25484 6330 1 14 . 1 1 39 39 MET H H 39 8.370 8.370 7.653 0.717 25484 6331 1 14 . 1 1 40 40 LYS N N 40 121.630 121.630 120.877 0.753 25484 6332 1 14 . 1 1 40 40 LYS HA H 40 3.840 3.840 3.986 -0.146 25484 6333 1 14 . 1 1 40 40 LYS C C 40 180.150 180.150 179.115 1.035 25484 6334 1 14 . 1 1 40 40 LYS CA C 40 61.520 61.520 60.180 1.340 25484 6335 1 14 . 1 1 40 40 LYS CB C 40 32.620 32.620 32.343 0.277 25484 6336 1 14 . 1 1 40 40 LYS H H 40 9.490 9.490 8.628 0.862 25484 6337 1 14 . 1 1 41 41 ARG N N 41 118.300 118.300 118.326 -0.026 25484 6338 1 14 . 1 1 41 41 ARG HA H 41 4.180 4.180 4.135 0.045 25484 6339 1 14 . 1 1 41 41 ARG C C 41 180.080 180.080 178.674 1.406 25484 6340 1 14 . 1 1 41 41 ARG CA C 41 59.750 59.750 58.826 0.924 25484 6341 1 14 . 1 1 41 41 ARG CB C 41 30.010 30.010 30.108 -0.098 25484 6342 1 14 . 1 1 41 41 ARG H H 41 7.610 7.610 8.281 -0.671 25484 6343 1 14 . 1 1 42 42 VAL N N 42 121.750 121.750 119.947 1.803 25484 6344 1 14 . 1 1 42 42 VAL HA H 42 3.745 3.745 3.921 -0.176 25484 6345 1 14 . 1 1 42 42 VAL C C 42 178.130 178.130 177.503 0.627 25484 6346 1 14 . 1 1 42 42 VAL CA C 42 66.760 66.760 65.752 1.008 25484 6347 1 14 . 1 1 42 42 VAL CB C 42 31.520 31.520 32.375 -0.855 25484 6348 1 14 . 1 1 42 42 VAL H H 42 7.760 7.760 7.625 0.135 25484 6349 1 14 . 1 1 43 43 VAL N N 43 120.580 120.580 121.399 -0.819 25484 6350 1 14 . 1 1 43 43 VAL HA H 43 3.531 3.531 3.548 -0.017 25484 6351 1 14 . 1 1 43 43 VAL C C 43 179.310 179.310 178.211 1.099 25484 6352 1 14 . 1 1 43 43 VAL CA C 43 67.120 67.120 67.179 -0.059 25484 6353 1 14 . 1 1 43 43 VAL CB C 43 31.510 31.510 31.435 0.075 25484 6354 1 14 . 1 1 43 43 VAL H H 43 8.500 8.500 8.330 0.170 25484 6355 1 14 . 1 1 44 44 GLN N N 44 119.280 119.280 116.206 3.074 25484 6356 1 14 . 1 1 44 44 GLN HA H 44 4.010 4.010 4.056 -0.046 25484 6357 1 14 . 1 1 44 44 GLN C C 44 179.330 179.330 178.534 0.796 25484 6358 1 14 . 1 1 44 44 GLN CA C 44 59.060 59.060 58.721 0.339 25484 6359 1 14 . 1 1 44 44 GLN CB C 44 28.030 28.030 28.287 -0.257 25484 6360 1 14 . 1 1 44 44 GLN H H 44 8.400 8.400 8.638 -0.238 25484 6361 1 14 . 1 1 45 45 HIS N N 45 119.160 119.160 119.954 -0.794 25484 6362 1 14 . 1 1 45 45 HIS HA H 45 4.283 4.283 4.282 0.001 25484 6363 1 14 . 1 1 45 45 HIS C C 45 178.250 178.250 177.495 0.755 25484 6364 1 14 . 1 1 45 45 HIS CA C 45 59.950 59.950 59.798 0.152 25484 6365 1 14 . 1 1 45 45 HIS CB C 45 27.150 27.150 30.148 -2.998 25484 6366 1 14 . 1 1 45 45 HIS H H 45 8.190 8.190 7.464 0.726 25484 6367 1 14 . 1 1 46 46 THR N N 46 111.110 111.110 114.974 -3.864 25484 6368 1 14 . 1 1 46 46 THR HA H 46 3.859 3.859 3.908 -0.049 25484 6369 1 14 . 1 1 46 46 THR C C 46 176.350 176.350 176.399 -0.049 25484 6370 1 14 . 1 1 46 46 THR CA C 46 65.670 65.670 67.183 -1.513 25484 6371 1 14 . 1 1 46 46 THR CB C 46 69.190 69.190 68.713 0.477 25484 6372 1 14 . 1 1 46 46 THR H H 46 7.980 7.980 8.261 -0.281 25484 6373 1 14 . 1 1 47 47 LYS N N 47 120.510 120.510 118.844 1.666 25484 6374 1 14 . 1 1 47 47 LYS HA H 47 4.090 4.090 4.173 -0.083 25484 6375 1 14 . 1 1 47 47 LYS C C 47 178.150 178.150 179.624 -1.474 25484 6376 1 14 . 1 1 47 47 LYS CA C 47 58.750 58.750 58.697 0.053 25484 6377 1 14 . 1 1 47 47 LYS CB C 47 32.360 32.360 32.330 0.030 25484 6378 1 14 . 1 1 47 47 LYS H H 47 7.410 7.410 7.524 -0.114 25484 6379 1 14 . 1 1 48 48 GLY N N 48 104.210 104.210 106.197 -1.987 25484 6380 1 14 . 1 1 48 48 GLY C C 48 174.220 174.220 174.371 -0.151 25484 6381 1 14 . 1 1 48 48 GLY CA C 48 44.753 44.753 45.347 -0.594 25484 6382 1 14 . 1 1 48 48 GLY H H 48 7.180 7.180 7.926 -0.746 25484 6383 1 14 . 1 1 49 49 CYS N N 49 123.560 123.560 121.261 2.299 25484 6384 1 14 . 1 1 49 49 CYS HA H 49 4.010 4.010 4.471 -0.461 25484 6385 1 14 . 1 1 49 49 CYS C C 49 177.230 177.230 174.343 2.887 25484 6386 1 14 . 1 1 49 49 CYS CA C 49 61.230 61.230 57.607 3.623 25484 6387 1 14 . 1 1 49 49 CYS CB C 49 29.850 29.850 26.740 3.110 25484 6388 1 14 . 1 1 49 49 CYS H H 49 6.981 6.981 7.483 -0.502 25484 6389 1 14 . 1 1 50 50 LYS N N 50 128.350 128.350 123.103 5.247 25484 6390 1 14 . 1 1 50 50 LYS HA H 50 4.524 4.524 4.181 0.343 25484 6391 1 14 . 1 1 50 50 LYS C C 50 178.040 178.040 177.023 1.017 25484 6392 1 14 . 1 1 50 50 LYS CA C 50 56.750 56.750 57.274 -0.524 25484 6393 1 14 . 1 1 50 50 LYS CB C 50 32.950 32.950 32.219 0.731 25484 6394 1 14 . 1 1 50 50 LYS H H 50 8.999 8.999 8.100 0.899 25484 6395 1 14 . 1 1 51 51 ARG N N 51 122.550 122.550 118.363 4.187 25484 6396 1 14 . 1 1 51 51 ARG HA H 51 4.428 4.428 4.096 0.332 25484 6397 1 14 . 1 1 51 51 ARG C C 51 177.410 177.410 177.894 -0.484 25484 6398 1 14 . 1 1 51 51 ARG CA C 51 57.750 57.750 57.750 -0.000 25484 6399 1 14 . 1 1 51 51 ARG CB C 51 31.860 31.860 29.099 2.760 25484 6400 1 14 . 1 1 51 51 ARG H H 51 8.558 8.558 8.228 0.330 25484 6401 1 14 . 1 1 52 52 LYS N N 52 119.040 119.040 119.192 -0.152 25484 6402 1 14 . 1 1 52 52 LYS HA H 52 4.534 4.534 4.156 0.378 25484 6403 1 14 . 1 1 52 52 LYS C C 52 177.610 177.610 178.995 -1.385 25484 6404 1 14 . 1 1 52 52 LYS CA C 52 57.970 57.970 59.402 -1.432 25484 6405 1 14 . 1 1 52 52 LYS CB C 52 32.350 32.350 31.613 0.737 25484 6406 1 14 . 1 1 52 52 LYS H H 52 8.490 8.490 8.162 0.328 25484 6407 1 14 . 1 1 53 53 THR N N 53 113.034 113.034 107.836 5.198 25484 6408 1 14 . 1 1 53 53 THR HA H 53 4.160 4.160 4.168 -0.008 25484 6409 1 14 . 1 1 53 53 THR C C 53 175.610 175.610 175.259 0.351 25484 6410 1 14 . 1 1 53 53 THR CA C 53 64.050 64.050 63.603 0.447 25484 6411 1 14 . 1 1 53 53 THR CB C 53 69.120 69.120 68.749 0.371 25484 6412 1 14 . 1 1 53 53 THR H H 53 7.760 7.760 7.967 -0.207 25484 6413 1 14 . 1 1 54 54 ASN N N 54 119.860 119.860 119.232 0.628 25484 6414 1 14 . 1 1 54 54 ASN HA H 54 4.920 4.920 4.546 0.374 25484 6415 1 14 . 1 1 54 54 ASN C C 54 176.330 176.330 176.469 -0.139 25484 6416 1 14 . 1 1 54 54 ASN CA C 54 53.720 53.720 54.918 -1.198 25484 6417 1 14 . 1 1 54 54 ASN CB C 54 38.350 38.350 39.339 -0.989 25484 6418 1 14 . 1 1 54 54 ASN H H 54 8.290 8.290 7.796 0.494 25484 6419 1 14 . 1 1 55 55 GLY N N 55 107.570 107.570 104.664 2.906 25484 6420 1 14 . 1 1 55 55 GLY C C 55 175.660 175.660 174.487 1.173 25484 6421 1 14 . 1 1 55 55 GLY CA C 55 45.938 45.938 44.554 1.384 25484 6422 1 14 . 1 1 55 55 GLY H H 55 8.006 8.006 7.699 0.307 25484 6423 1 14 . 1 1 56 56 GLY N N 56 107.290 107.290 109.370 -2.080 25484 6424 1 14 . 1 1 56 56 GLY C C 56 173.710 173.710 174.618 -0.908 25484 6425 1 14 . 1 1 56 56 GLY CA C 56 45.570 45.570 44.933 0.637 25484 6426 1 14 . 1 1 56 56 GLY H H 56 7.840 7.840 7.602 0.238 25484 6427 1 14 . 1 1 57 57 CYS N N 57 122.730 122.730 120.913 1.817 25484 6428 1 14 . 1 1 57 57 CYS HA H 57 4.505 4.505 4.832 -0.327 25484 6429 1 14 . 1 1 57 57 CYS C C 57 175.090 175.090 173.543 1.547 25484 6430 1 14 . 1 1 57 57 CYS CA C 57 55.950 55.950 55.474 0.476 25484 6431 1 14 . 1 1 57 57 CYS CB C 57 30.760 30.760 28.317 2.443 25484 6432 1 14 . 1 1 57 57 CYS H H 57 8.048 8.048 7.997 0.051 25484 6433 1 14 . 1 1 58 58 PRO HA H 58 4.338 4.338 4.647 -0.309 25484 6434 1 14 . 1 1 58 58 PRO CA C 58 65.050 65.050 62.769 2.281 25484 6435 1 14 . 1 1 58 58 PRO CB C 58 32.620 32.620 30.608 2.012 25484 6436 1 14 . 1 1 59 59 ILE N N 59 121.256 121.256 125.378 -4.122 25484 6437 1 14 . 1 1 59 59 ILE HA H 59 3.818 3.818 4.239 -0.421 25484 6438 1 14 . 1 1 59 59 ILE C C 59 178.820 178.820 176.205 2.615 25484 6439 1 14 . 1 1 59 59 ILE CA C 59 64.590 64.590 62.860 1.730 25484 6440 1 14 . 1 1 59 59 ILE CB C 59 38.890 38.890 39.376 -0.486 25484 6441 1 14 . 1 1 59 59 ILE H H 59 7.900 7.900 8.933 -1.033 25484 6442 1 14 . 1 1 60 60 CYS N N 60 123.970 123.970 119.440 4.530 25484 6443 1 14 . 1 1 60 60 CYS HA H 60 4.117 4.117 4.225 -0.108 25484 6444 1 14 . 1 1 60 60 CYS C C 60 178.110 178.110 176.695 1.415 25484 6445 1 14 . 1 1 60 60 CYS CA C 60 66.090 66.090 60.592 5.498 25484 6446 1 14 . 1 1 60 60 CYS CB C 60 29.150 29.150 26.266 2.884 25484 6447 1 14 . 1 1 60 60 CYS H H 60 8.914 8.914 8.298 0.616 25484 6448 1 14 . 1 1 61 61 LYS N N 61 117.210 117.210 120.122 -2.912 25484 6449 1 14 . 1 1 61 61 LYS HA H 61 3.910 3.910 4.065 -0.155 25484 6450 1 14 . 1 1 61 61 LYS C C 61 179.460 179.460 178.240 1.220 25484 6451 1 14 . 1 1 61 61 LYS CA C 61 59.970 59.970 59.645 0.325 25484 6452 1 14 . 1 1 61 61 LYS CB C 61 32.650 32.650 32.389 0.262 25484 6453 1 14 . 1 1 61 61 LYS H H 61 8.090 8.090 8.209 -0.119 25484 6454 1 14 . 1 1 62 62 GLN N N 62 117.780 117.780 119.010 -1.230 25484 6455 1 14 . 1 1 62 62 GLN HA H 62 4.203 4.203 4.068 0.135 25484 6456 1 14 . 1 1 62 62 GLN C C 62 178.564 178.564 178.671 -0.107 25484 6457 1 14 . 1 1 62 62 GLN CA C 62 58.450 58.450 58.170 0.279 25484 6458 1 14 . 1 1 62 62 GLN CB C 62 29.140 29.140 28.967 0.173 25484 6459 1 14 . 1 1 62 62 GLN H H 62 7.360 7.360 7.471 -0.111 25484 6460 1 14 . 1 1 63 63 LEU N N 63 119.930 119.930 123.031 -3.101 25484 6461 1 14 . 1 1 63 63 LEU HA H 63 4.218 4.218 4.088 0.130 25484 6462 1 14 . 1 1 63 63 LEU C C 63 179.440 179.440 177.802 1.638 25484 6463 1 14 . 1 1 63 63 LEU CA C 63 58.550 58.550 57.682 0.868 25484 6464 1 14 . 1 1 63 63 LEU CB C 63 41.910 41.910 41.779 0.131 25484 6465 1 14 . 1 1 63 63 LEU H H 63 8.075 8.075 8.824 -0.749 25484 6466 1 14 . 1 1 64 64 ILE N N 64 120.280 120.280 120.227 0.053 25484 6467 1 14 . 1 1 64 64 ILE HA H 64 3.600 3.600 3.682 -0.082 25484 6468 1 14 . 1 1 64 64 ILE C C 64 177.950 177.950 177.995 -0.045 25484 6469 1 14 . 1 1 64 64 ILE CA C 64 65.250 65.250 65.685 -0.435 25484 6470 1 14 . 1 1 64 64 ILE CB C 64 37.320 37.320 37.488 -0.168 25484 6471 1 14 . 1 1 64 64 ILE H H 64 8.466 8.466 8.708 -0.242 25484 6472 1 14 . 1 1 65 65 ALA N N 65 122.590 122.590 121.579 1.011 25484 6473 1 14 . 1 1 65 65 ALA HA H 65 4.185 4.185 3.112 1.073 25484 6474 1 14 . 1 1 65 65 ALA C C 65 181.010 181.010 179.422 1.588 25484 6475 1 14 . 1 1 65 65 ALA CA C 65 55.220 55.220 54.741 0.479 25484 6476 1 14 . 1 1 65 65 ALA CB C 65 18.450 18.450 17.830 0.620 25484 6477 1 14 . 1 1 65 65 ALA H H 65 7.496 7.496 7.839 -0.343 25484 6478 1 14 . 1 1 66 66 LEU N N 66 115.599 115.599 120.397 -4.798 25484 6479 1 14 . 1 1 66 66 LEU HA H 66 4.100 4.100 4.017 0.083 25484 6480 1 14 . 1 1 66 66 LEU C C 66 179.380 179.380 178.892 0.488 25484 6481 1 14 . 1 1 66 66 LEU CA C 66 57.930 57.930 57.623 0.307 25484 6482 1 14 . 1 1 66 66 LEU CB C 66 41.410 41.410 41.691 -0.281 25484 6483 1 14 . 1 1 66 66 LEU H H 66 8.139 8.139 7.728 0.411 25484 6484 1 14 . 1 1 67 67 ALA N N 67 122.670 122.670 121.249 1.421 25484 6485 1 14 . 1 1 67 67 ALA HA H 67 3.958 3.958 4.048 -0.090 25484 6486 1 14 . 1 1 67 67 ALA C C 67 180.060 180.060 179.595 0.465 25484 6487 1 14 . 1 1 67 67 ALA CA C 67 55.750 55.750 55.247 0.503 25484 6488 1 14 . 1 1 67 67 ALA CB C 67 19.220 19.220 18.245 0.975 25484 6489 1 14 . 1 1 67 67 ALA H H 67 8.770 8.770 8.947 -0.177 25484 6490 1 14 . 1 1 68 68 ALA N N 68 120.580 120.580 121.251 -0.671 25484 6491 1 14 . 1 1 68 68 ALA HA H 68 4.142 4.142 4.296 -0.154 25484 6492 1 14 . 1 1 68 68 ALA C C 68 179.540 179.540 179.892 -0.352 25484 6493 1 14 . 1 1 68 68 ALA CA C 68 55.450 55.450 55.163 0.287 25484 6494 1 14 . 1 1 68 68 ALA CB C 68 18.220 18.220 18.595 -0.375 25484 6495 1 14 . 1 1 68 68 ALA H H 68 8.604 8.604 8.538 0.066 25484 6496 1 14 . 1 1 69 69 TYR HA H 69 4.345 4.345 4.371 -0.026 25484 6497 1 14 . 1 1 69 69 TYR CA C 69 57.750 57.750 58.301 -0.551 25484 6498 1 14 . 1 1 69 69 TYR CB C 69 38.580 38.580 37.349 1.231 25484 6499 1 14 . 1 1 71 71 ALA HA H 71 4.000 4.000 3.902 0.098 25484 6500 1 14 . 1 1 71 71 ALA C C 71 179.540 179.540 180.207 -0.667 25484 6501 1 14 . 1 1 71 71 ALA CA C 71 54.850 54.850 55.078 -0.228 25484 6502 1 14 . 1 1 71 71 ALA CB C 71 19.650 19.650 18.197 1.453 25484 6503 1 14 . 1 1 72 72 LYS N N 72 114.680 114.680 118.147 -3.467 25484 6504 1 14 . 1 1 72 72 LYS HA H 72 3.904 3.904 4.030 -0.126 25484 6505 1 14 . 1 1 72 72 LYS C C 72 177.120 177.120 177.917 -0.797 25484 6506 1 14 . 1 1 72 72 LYS CA C 72 58.230 58.230 59.159 -0.929 25484 6507 1 14 . 1 1 72 72 LYS CB C 72 32.340 32.340 32.665 -0.325 25484 6508 1 14 . 1 1 72 72 LYS H H 72 7.080 7.080 8.389 -1.309 25484 6509 1 14 . 1 1 73 73 HIS N N 73 113.498 113.498 115.581 -2.083 25484 6510 1 14 . 1 1 73 73 HIS HA H 73 4.826 4.826 4.656 0.170 25484 6511 1 14 . 1 1 73 73 HIS C C 73 173.660 173.660 174.619 -0.959 25484 6512 1 14 . 1 1 73 73 HIS CA C 73 54.380 54.380 55.692 -1.312 25484 6513 1 14 . 1 1 73 73 HIS CB C 73 30.350 30.350 30.192 0.158 25484 6514 1 14 . 1 1 73 73 HIS H H 73 7.250 7.250 7.945 -0.695 25484 6515 1 14 . 1 1 74 74 CYS N N 74 123.830 123.830 119.550 4.280 25484 6516 1 14 . 1 1 74 74 CYS HA H 74 4.150 4.150 4.438 -0.288 25484 6517 1 14 . 1 1 74 74 CYS C C 74 176.480 176.480 173.533 2.947 25484 6518 1 14 . 1 1 74 74 CYS CA C 74 60.250 60.250 57.832 2.418 25484 6519 1 14 . 1 1 74 74 CYS CB C 74 29.930 29.930 29.040 0.890 25484 6520 1 14 . 1 1 74 74 CYS H H 74 7.140 7.140 8.155 -1.015 25484 6521 1 14 . 1 1 75 75 GLN N N 75 128.740 128.740 123.439 5.301 25484 6522 1 14 . 1 1 75 75 GLN HA H 75 4.685 4.685 4.397 0.287 25484 6523 1 14 . 1 1 75 75 GLN C C 75 176.090 176.090 173.864 2.226 25484 6524 1 14 . 1 1 75 75 GLN CA C 75 54.900 54.900 55.158 -0.258 25484 6525 1 14 . 1 1 75 75 GLN CB C 75 29.840 29.840 29.261 0.579 25484 6526 1 14 . 1 1 75 75 GLN H H 75 9.088 9.088 8.530 0.558 25484 6527 1 14 . 1 1 76 76 GLU N N 76 123.190 123.190 122.827 0.363 25484 6528 1 14 . 1 1 76 76 GLU HA H 76 4.480 4.480 4.418 0.062 25484 6529 1 14 . 1 1 76 76 GLU C C 76 177.030 177.030 174.351 2.679 25484 6530 1 14 . 1 1 76 76 GLU CA C 76 56.210 56.210 56.366 -0.156 25484 6531 1 14 . 1 1 76 76 GLU CB C 76 30.660 30.660 32.410 -1.750 25484 6532 1 14 . 1 1 76 76 GLU H H 76 8.390 8.390 8.323 0.067 25484 6533 1 14 . 1 1 77 77 ASN N N 77 124.760 124.760 123.018 1.742 25484 6534 1 14 . 1 1 77 77 ASN HA H 77 4.549 4.549 4.832 -0.283 25484 6535 1 14 . 1 1 77 77 ASN C C 77 176.070 176.070 175.716 0.354 25484 6536 1 14 . 1 1 77 77 ASN CA C 77 55.100 55.100 53.298 1.802 25484 6537 1 14 . 1 1 77 77 ASN CB C 77 38.650 38.650 38.589 0.061 25484 6538 1 14 . 1 1 77 77 ASN H H 77 8.848 8.848 8.707 0.141 25484 6539 1 14 . 1 1 78 78 LYS N N 78 120.810 120.810 119.072 1.738 25484 6540 1 14 . 1 1 78 78 LYS HA H 78 4.460 4.460 4.090 0.370 25484 6541 1 14 . 1 1 78 78 LYS C C 78 175.230 175.230 176.082 -0.852 25484 6542 1 14 . 1 1 78 78 LYS CA C 78 54.920 54.920 57.848 -2.928 25484 6543 1 14 . 1 1 78 78 LYS CB C 78 31.020 31.020 31.951 -0.931 25484 6544 1 14 . 1 1 78 78 LYS H H 78 8.636 8.636 8.090 0.546 25484 6545 1 14 . 1 1 80 80 PRO HA H 80 4.710 4.710 4.419 0.291 25484 6546 1 14 . 1 1 80 80 PRO CA C 80 62.850 62.850 64.411 -1.561 25484 6547 1 14 . 1 1 80 80 PRO CB C 80 32.150 32.150 32.682 -0.532 25484 6548 1 14 . 1 1 81 81 VAL HA H 81 3.578 3.578 4.217 -0.639 25484 6549 1 14 . 1 1 81 81 VAL CA C 81 62.350 62.350 60.214 2.136 25484 6550 1 14 . 1 1 81 81 VAL CB C 81 31.616 31.616 32.209 -0.593 25484 6551 1 14 . 1 1 82 82 PRO HA H 82 4.850 4.850 3.918 0.932 25484 6552 1 14 . 1 1 82 82 PRO CA C 82 63.350 63.350 62.532 0.818 25484 6553 1 14 . 1 1 82 82 PRO CB C 82 32.050 32.050 32.179 -0.129 25484 6554 1 14 . 1 1 83 83 PHE HA H 83 4.160 4.160 4.379 -0.219 25484 6555 1 14 . 1 1 83 83 PHE CA C 83 58.950 58.950 59.208 -0.258 25484 6556 1 14 . 1 1 83 83 PHE CB C 83 38.250 38.250 36.944 1.306 25484 6557 1 14 . 1 1 84 84 CYS HA H 84 4.597 4.597 4.823 -0.226 25484 6558 1 14 . 1 1 84 84 CYS CA C 84 56.750 56.750 55.527 1.223 25484 6559 1 14 . 1 1 84 84 CYS CB C 84 30.150 30.150 29.668 0.482 25484 6560 1 14 . 1 1 85 85 LEU N N 85 119.930 119.930 121.723 -1.793 25484 6561 1 14 . 1 1 85 85 LEU HA H 85 3.958 3.958 4.185 -0.227 25484 6562 1 14 . 1 1 85 85 LEU CA C 85 59.350 59.350 56.388 2.962 25484 6563 1 14 . 1 1 85 85 LEU CB C 85 38.180 38.180 38.835 -0.655 25484 6564 1 14 . 1 1 85 85 LEU H H 85 8.220 8.220 8.905 -0.685 25484 6565 1 14 . 1 1 86 86 ASN N N 86 115.750 115.750 118.196 -2.446 25484 6566 1 14 . 1 1 86 86 ASN HA H 86 4.580 4.580 4.773 -0.193 25484 6567 1 14 . 1 1 86 86 ASN CA C 86 51.860 51.860 54.027 -2.167 25484 6568 1 14 . 1 1 86 86 ASN CB C 86 38.610 38.610 39.385 -0.775 25484 6569 1 14 . 1 1 86 86 ASN H H 86 7.789 7.789 8.488 -0.699 25484 6570 1 14 . 1 1 87 87 ILE N N 87 123.260 123.260 121.298 1.962 25484 6571 1 14 . 1 1 87 87 ILE HA H 87 4.220 4.220 3.959 0.261 25484 6572 1 14 . 1 1 87 87 ILE CA C 87 61.850 61.850 63.213 -1.363 25484 6573 1 14 . 1 1 87 87 ILE CB C 87 41.330 41.330 37.998 3.332 25484 6574 1 14 . 1 1 87 87 ILE H H 87 7.160 7.160 8.505 -1.345 25484 6575 1 14 . 1 1 88 88 LYS HA H 88 4.450 4.450 4.581 -0.131 25484 6576 1 14 . 1 1 88 88 LYS CA C 88 54.530 54.530 54.730 -0.200 25484 6577 1 14 . 1 1 88 88 LYS CB C 88 31.450 31.450 33.211 -1.761 25484 6578 1 14 . 1 1 89 89 GLN HA H 89 4.450 4.450 4.487 -0.037 25484 6579 1 14 . 1 1 89 89 GLN CA C 89 56.210 56.210 56.242 -0.032 25484 6580 1 14 . 1 1 89 89 GLN CB C 89 29.250 29.250 28.253 0.997 25484 6581 1 15 . 1 1 2 2 THR HA H 2 4.415 4.415 4.409 0.006 25484 6582 1 15 . 1 1 2 2 THR C C 2 174.580 174.580 174.428 0.152 25484 6583 1 15 . 1 1 2 2 THR CA C 2 62.450 62.450 62.777 -0.327 25484 6584 1 15 . 1 1 2 2 THR CB C 2 70.050 70.050 70.092 -0.042 25484 6585 1 15 . 1 1 3 3 GLN N N 3 123.423 123.423 119.577 3.846 25484 6586 1 15 . 1 1 3 3 GLN HA H 3 4.480 4.480 4.628 -0.148 25484 6587 1 15 . 1 1 3 3 GLN C C 3 176.040 176.040 175.163 0.877 25484 6588 1 15 . 1 1 3 3 GLN CA C 3 55.950 55.950 55.953 -0.003 25484 6589 1 15 . 1 1 3 3 GLN CB C 3 30.550 30.550 30.127 0.423 25484 6590 1 15 . 1 1 3 3 GLN H H 3 8.536 8.536 8.372 0.164 25484 6591 1 15 . 1 1 4 4 SER N N 4 119.390 119.390 115.999 3.391 25484 6592 1 15 . 1 1 4 4 SER HA H 4 4.834 4.834 4.694 0.140 25484 6593 1 15 . 1 1 4 4 SER C C 4 173.640 173.640 173.953 -0.313 25484 6594 1 15 . 1 1 4 4 SER CA C 4 56.250 56.250 59.680 -3.430 25484 6595 1 15 . 1 1 4 4 SER CB C 4 63.400 63.400 62.313 1.087 25484 6596 1 15 . 1 1 4 4 SER H H 4 8.150 8.150 8.256 -0.106 25484 6597 1 15 . 1 1 5 5 PRO HA H 5 4.480 4.480 4.447 0.033 25484 6598 1 15 . 1 1 5 5 PRO C C 5 178.180 178.180 176.138 2.042 25484 6599 1 15 . 1 1 5 5 PRO CA C 5 64.040 64.040 63.389 0.651 25484 6600 1 15 . 1 1 5 5 PRO CB C 5 32.120 32.120 32.013 0.107 25484 6601 1 15 . 1 1 6 6 GLY N N 6 108.600 108.600 106.638 1.962 25484 6602 1 15 . 1 1 6 6 GLY C C 6 174.930 174.930 174.311 0.619 25484 6603 1 15 . 1 1 6 6 GLY CA C 6 45.750 45.750 44.588 1.162 25484 6604 1 15 . 1 1 6 6 GLY H H 6 8.470 8.470 7.736 0.734 25484 6605 1 15 . 1 1 7 7 ASP N N 7 121.260 121.260 122.701 -1.441 25484 6606 1 15 . 1 1 7 7 ASP HA H 7 4.660 4.660 4.357 0.303 25484 6607 1 15 . 1 1 7 7 ASP C C 7 177.580 177.580 177.303 0.277 25484 6608 1 15 . 1 1 7 7 ASP CA C 7 55.200 55.200 57.816 -2.616 25484 6609 1 15 . 1 1 7 7 ASP CB C 7 41.400 41.400 41.089 0.311 25484 6610 1 15 . 1 1 7 7 ASP H H 7 8.130 8.130 7.898 0.232 25484 6611 1 15 . 1 1 8 8 SER N N 8 116.818 116.818 114.151 2.667 25484 6612 1 15 . 1 1 8 8 SER HA H 8 4.340 4.340 4.262 0.078 25484 6613 1 15 . 1 1 8 8 SER C C 8 176.310 176.310 176.681 -0.371 25484 6614 1 15 . 1 1 8 8 SER CA C 8 60.050 60.050 60.883 -0.833 25484 6615 1 15 . 1 1 8 8 SER CB C 8 63.190 63.190 63.067 0.123 25484 6616 1 15 . 1 1 8 8 SER H H 8 8.372 8.372 8.466 -0.094 25484 6617 1 15 . 1 1 9 9 ARG N N 9 123.150 123.150 121.709 1.441 25484 6618 1 15 . 1 1 9 9 ARG HA H 9 4.260 4.260 4.140 0.120 25484 6619 1 15 . 1 1 9 9 ARG C C 9 177.710 177.710 178.615 -0.905 25484 6620 1 15 . 1 1 9 9 ARG CA C 9 58.050 58.050 58.510 -0.460 25484 6621 1 15 . 1 1 9 9 ARG CB C 9 30.350 30.350 29.945 0.405 25484 6622 1 15 . 1 1 9 9 ARG H H 9 8.308 8.308 7.531 0.777 25484 6623 1 15 . 1 1 10 10 ARG N N 10 119.940 119.940 120.229 -0.289 25484 6624 1 15 . 1 1 10 10 ARG HA H 10 4.110 4.110 4.058 0.052 25484 6625 1 15 . 1 1 10 10 ARG C C 10 178.180 178.180 178.818 -0.638 25484 6626 1 15 . 1 1 10 10 ARG CA C 10 58.420 58.420 59.927 -1.507 25484 6627 1 15 . 1 1 10 10 ARG CB C 10 30.260 30.260 29.895 0.365 25484 6628 1 15 . 1 1 10 10 ARG H H 10 8.075 8.075 8.373 -0.298 25484 6629 1 15 . 1 1 11 11 LEU N N 11 121.060 121.060 119.740 1.320 25484 6630 1 15 . 1 1 11 11 LEU HA H 11 4.225 4.225 4.089 0.136 25484 6631 1 15 . 1 1 11 11 LEU C C 11 179.950 179.950 178.838 1.112 25484 6632 1 15 . 1 1 11 11 LEU CA C 11 57.450 57.450 58.374 -0.924 25484 6633 1 15 . 1 1 11 11 LEU CB C 11 41.910 41.910 41.284 0.626 25484 6634 1 15 . 1 1 11 11 LEU H H 11 8.160 8.160 8.651 -0.491 25484 6635 1 15 . 1 1 12 12 SER N N 12 116.470 116.470 114.998 1.472 25484 6636 1 15 . 1 1 12 12 SER HA H 12 4.317 4.317 4.172 0.145 25484 6637 1 15 . 1 1 12 12 SER C C 12 176.960 176.960 176.757 0.203 25484 6638 1 15 . 1 1 12 12 SER CA C 12 60.760 60.760 61.639 -0.879 25484 6639 1 15 . 1 1 12 12 SER CB C 12 63.350 63.350 62.851 0.499 25484 6640 1 15 . 1 1 12 12 SER H H 12 8.179 8.179 7.724 0.455 25484 6641 1 15 . 1 1 13 13 ILE N N 13 123.740 123.740 119.799 3.941 25484 6642 1 15 . 1 1 13 13 ILE HA H 13 3.690 3.690 3.865 -0.175 25484 6643 1 15 . 1 1 13 13 ILE C C 13 177.660 177.660 177.607 0.053 25484 6644 1 15 . 1 1 13 13 ILE CA C 13 64.930 64.930 64.146 0.784 25484 6645 1 15 . 1 1 13 13 ILE CB C 13 37.650 37.650 37.240 0.409 25484 6646 1 15 . 1 1 13 13 ILE H H 13 8.130 8.130 7.762 0.368 25484 6647 1 15 . 1 1 14 14 GLN N N 14 119.220 119.220 121.875 -2.655 25484 6648 1 15 . 1 1 14 14 GLN HA H 14 4.040 4.040 3.950 0.090 25484 6649 1 15 . 1 1 14 14 GLN C C 14 179.490 179.490 178.175 1.315 25484 6650 1 15 . 1 1 14 14 GLN CA C 14 59.750 59.750 59.715 0.035 25484 6651 1 15 . 1 1 14 14 GLN CB C 14 27.730 27.730 28.364 -0.634 25484 6652 1 15 . 1 1 14 14 GLN H H 14 8.113 8.113 9.035 -0.922 25484 6653 1 15 . 1 1 15 15 ARG N N 15 119.160 119.160 118.903 0.257 25484 6654 1 15 . 1 1 15 15 ARG HA H 15 4.150 4.150 4.026 0.124 25484 6655 1 15 . 1 1 15 15 ARG C C 15 179.460 179.460 178.534 0.926 25484 6656 1 15 . 1 1 15 15 ARG CA C 15 59.150 59.150 59.295 -0.145 25484 6657 1 15 . 1 1 15 15 ARG CB C 15 30.090 30.090 30.028 0.062 25484 6658 1 15 . 1 1 15 15 ARG H H 15 8.200 8.200 8.424 -0.224 25484 6659 1 15 . 1 1 16 16 ALA N N 16 124.140 124.140 124.060 0.080 25484 6660 1 15 . 1 1 16 16 ALA HA H 16 3.990 3.990 4.156 -0.166 25484 6661 1 15 . 1 1 16 16 ALA C C 16 180.230 180.230 179.729 0.501 25484 6662 1 15 . 1 1 16 16 ALA CA C 16 55.550 55.550 54.944 0.606 25484 6663 1 15 . 1 1 16 16 ALA CB C 16 18.750 18.750 18.486 0.264 25484 6664 1 15 . 1 1 16 16 ALA H H 16 8.071 8.071 7.771 0.300 25484 6665 1 15 . 1 1 17 17 ILE N N 17 118.180 118.180 119.721 -1.541 25484 6666 1 15 . 1 1 17 17 ILE HA H 17 3.712 3.712 3.402 0.310 25484 6667 1 15 . 1 1 17 17 ILE C C 17 178.210 178.210 177.833 0.377 25484 6668 1 15 . 1 1 17 17 ILE CA C 17 64.870 64.870 65.876 -1.006 25484 6669 1 15 . 1 1 17 17 ILE CB C 17 37.640 37.640 37.739 -0.099 25484 6670 1 15 . 1 1 17 17 ILE H H 17 8.534 8.534 8.647 -0.113 25484 6671 1 15 . 1 1 18 18 GLN N N 18 118.960 118.960 118.988 -0.028 25484 6672 1 15 . 1 1 18 18 GLN HA H 18 4.134 4.134 3.857 0.277 25484 6673 1 15 . 1 1 18 18 GLN C C 18 180.050 180.050 179.136 0.914 25484 6674 1 15 . 1 1 18 18 GLN CA C 18 59.340 59.340 59.266 0.074 25484 6675 1 15 . 1 1 18 18 GLN CB C 18 28.030 28.030 28.446 -0.416 25484 6676 1 15 . 1 1 18 18 GLN H H 18 8.200 8.200 8.723 -0.523 25484 6677 1 15 . 1 1 19 19 SER N N 19 116.320 116.320 116.077 0.243 25484 6678 1 15 . 1 1 19 19 SER HA H 19 4.388 4.388 4.151 0.237 25484 6679 1 15 . 1 1 19 19 SER C C 19 176.460 176.460 176.351 0.109 25484 6680 1 15 . 1 1 19 19 SER CA C 19 62.250 62.250 62.393 -0.143 25484 6681 1 15 . 1 1 19 19 SER CB C 19 63.270 63.270 63.217 0.053 25484 6682 1 15 . 1 1 19 19 SER H H 19 8.190 8.190 8.697 -0.507 25484 6683 1 15 . 1 1 20 20 LEU N N 20 125.540 125.540 124.633 0.907 25484 6684 1 15 . 1 1 20 20 LEU HA H 20 4.075 4.075 4.013 0.062 25484 6685 1 15 . 1 1 20 20 LEU C C 20 177.640 177.640 178.651 -1.011 25484 6686 1 15 . 1 1 20 20 LEU CA C 20 58.750 58.750 58.170 0.580 25484 6687 1 15 . 1 1 20 20 LEU CB C 20 42.390 42.390 42.012 0.378 25484 6688 1 15 . 1 1 20 20 LEU H H 20 8.290 8.290 7.962 0.328 25484 6689 1 15 . 1 1 21 21 VAL N N 21 118.690 118.690 118.845 -0.155 25484 6690 1 15 . 1 1 21 21 VAL HA H 21 3.356 3.356 3.356 0.000 25484 6691 1 15 . 1 1 21 21 VAL C C 21 178.770 178.770 177.511 1.259 25484 6692 1 15 . 1 1 21 21 VAL CA C 21 66.850 66.850 67.640 -0.790 25484 6693 1 15 . 1 1 21 21 VAL CB C 21 31.450 31.450 31.643 -0.193 25484 6694 1 15 . 1 1 21 21 VAL H H 21 8.532 8.532 8.899 -0.367 25484 6695 1 15 . 1 1 22 22 HIS N N 22 116.230 116.230 119.405 -3.175 25484 6696 1 15 . 1 1 22 22 HIS HA H 22 4.230 4.230 4.204 0.026 25484 6697 1 15 . 1 1 22 22 HIS C C 22 178.420 178.420 176.868 1.552 25484 6698 1 15 . 1 1 22 22 HIS CA C 22 59.980 59.980 60.188 -0.208 25484 6699 1 15 . 1 1 22 22 HIS CB C 22 27.830 27.830 29.873 -2.043 25484 6700 1 15 . 1 1 22 22 HIS H H 22 7.980 7.980 8.227 -0.247 25484 6701 1 15 . 1 1 23 23 ALA N N 23 121.520 121.520 121.164 0.356 25484 6702 1 15 . 1 1 23 23 ALA HA H 23 4.225 4.225 4.177 0.048 25484 6703 1 15 . 1 1 23 23 ALA C C 23 179.540 179.540 178.602 0.938 25484 6704 1 15 . 1 1 23 23 ALA CA C 23 55.250 55.250 54.897 0.353 25484 6705 1 15 . 1 1 23 23 ALA CB C 23 19.550 19.550 18.549 1.000 25484 6706 1 15 . 1 1 23 23 ALA H H 23 8.640 8.640 8.597 0.043 25484 6707 1 15 . 1 1 24 24 ALA N N 24 116.860 116.860 119.655 -2.795 25484 6708 1 15 . 1 1 24 24 ALA HA H 24 4.100 4.100 4.026 0.074 25484 6709 1 15 . 1 1 24 24 ALA C C 24 178.130 178.130 179.554 -1.424 25484 6710 1 15 . 1 1 24 24 ALA CA C 24 54.090 54.090 54.428 -0.338 25484 6711 1 15 . 1 1 24 24 ALA CB C 24 18.750 18.750 18.608 0.142 25484 6712 1 15 . 1 1 24 24 ALA H H 24 8.260 8.260 7.729 0.531 25484 6713 1 15 . 1 1 25 25 GLN N N 25 112.450 112.450 117.384 -4.934 25484 6714 1 15 . 1 1 25 25 GLN HA H 25 4.495 4.495 4.160 0.335 25484 6715 1 15 . 1 1 25 25 GLN C C 25 174.940 174.940 176.206 -1.266 25484 6716 1 15 . 1 1 25 25 GLN CA C 25 54.650 54.650 56.772 -2.122 25484 6717 1 15 . 1 1 25 25 GLN CB C 25 30.650 30.650 29.868 0.782 25484 6718 1 15 . 1 1 25 25 GLN H H 25 7.260 7.260 8.227 -0.967 25484 6719 1 15 . 1 1 26 26 CYS N N 26 124.510 124.510 120.323 4.187 25484 6720 1 15 . 1 1 26 26 CYS HA H 26 3.915 3.915 4.255 -0.340 25484 6721 1 15 . 1 1 26 26 CYS C C 26 176.690 176.690 173.544 3.146 25484 6722 1 15 . 1 1 26 26 CYS CA C 26 60.980 60.980 59.109 1.871 25484 6723 1 15 . 1 1 26 26 CYS CB C 26 29.350 29.350 28.735 0.615 25484 6724 1 15 . 1 1 26 26 CYS H H 26 7.365 7.365 8.416 -1.051 25484 6725 1 15 . 1 1 27 27 ARG N N 27 129.870 129.870 126.845 3.025 25484 6726 1 15 . 1 1 27 27 ARG HA H 27 4.635 4.635 4.541 0.094 25484 6727 1 15 . 1 1 27 27 ARG C C 27 175.660 175.660 174.197 1.463 25484 6728 1 15 . 1 1 27 27 ARG CA C 27 54.550 54.550 54.952 -0.402 25484 6729 1 15 . 1 1 27 27 ARG CB C 27 30.350 30.350 29.387 0.963 25484 6730 1 15 . 1 1 27 27 ARG H H 27 8.880 8.880 8.501 0.379 25484 6731 1 15 . 1 1 28 28 ASN N N 28 120.810 120.810 121.748 -0.938 25484 6732 1 15 . 1 1 28 28 ASN HA H 28 4.870 4.870 4.791 0.079 25484 6733 1 15 . 1 1 28 28 ASN C C 28 176.120 176.120 175.195 0.925 25484 6734 1 15 . 1 1 28 28 ASN CA C 28 51.930 51.930 52.935 -1.005 25484 6735 1 15 . 1 1 28 28 ASN CB C 28 39.060 39.060 40.480 -1.419 25484 6736 1 15 . 1 1 28 28 ASN H H 28 7.980 7.980 8.169 -0.189 25484 6737 1 15 . 1 1 29 29 ALA N N 29 130.470 130.470 126.983 3.487 25484 6738 1 15 . 1 1 29 29 ALA HA H 29 4.133 4.133 4.183 -0.050 25484 6739 1 15 . 1 1 29 29 ALA C C 29 178.380 178.380 176.666 1.714 25484 6740 1 15 . 1 1 29 29 ALA CA C 29 54.290 54.290 53.724 0.566 25484 6741 1 15 . 1 1 29 29 ALA CB C 29 18.370 18.370 19.303 -0.933 25484 6742 1 15 . 1 1 29 29 ALA H H 29 9.134 9.134 8.609 0.525 25484 6743 1 15 . 1 1 30 30 ASN N N 30 114.590 114.590 114.757 -0.167 25484 6744 1 15 . 1 1 30 30 ASN HA H 30 4.875 4.875 4.907 -0.032 25484 6745 1 15 . 1 1 30 30 ASN C C 30 174.530 174.530 174.643 -0.113 25484 6746 1 15 . 1 1 30 30 ASN CA C 30 51.930 51.930 52.321 -0.391 25484 6747 1 15 . 1 1 30 30 ASN CB C 30 38.910 38.910 39.222 -0.312 25484 6748 1 15 . 1 1 30 30 ASN H H 30 8.114 8.114 7.859 0.255 25484 6749 1 15 . 1 1 31 31 CYS N N 31 123.270 123.270 121.446 1.824 25484 6750 1 15 . 1 1 31 31 CYS HA H 31 4.050 4.050 4.294 -0.244 25484 6751 1 15 . 1 1 31 31 CYS C C 31 177.170 177.170 174.282 2.888 25484 6752 1 15 . 1 1 31 31 CYS CA C 31 61.880 61.880 60.307 1.573 25484 6753 1 15 . 1 1 31 31 CYS CB C 31 30.010 30.010 28.911 1.099 25484 6754 1 15 . 1 1 31 31 CYS H H 31 7.210 7.210 7.547 -0.337 25484 6755 1 15 . 1 1 32 32 SER N N 32 124.300 124.300 120.687 3.613 25484 6756 1 15 . 1 1 32 32 SER HA H 32 4.609 4.609 4.661 -0.052 25484 6757 1 15 . 1 1 32 32 SER C C 32 175.020 175.020 173.504 1.516 25484 6758 1 15 . 1 1 32 32 SER CA C 32 58.010 58.010 57.591 0.419 25484 6759 1 15 . 1 1 32 32 SER CB C 32 64.120 64.120 62.739 1.381 25484 6760 1 15 . 1 1 32 32 SER H H 32 8.767 8.767 8.377 0.390 25484 6761 1 15 . 1 1 33 33 LEU N N 33 128.860 128.860 128.871 -0.011 25484 6762 1 15 . 1 1 33 33 LEU HA H 33 4.538 4.538 4.945 -0.407 25484 6763 1 15 . 1 1 33 33 LEU C C 33 177.230 177.230 174.797 2.433 25484 6764 1 15 . 1 1 33 33 LEU CA C 33 54.450 54.450 51.588 2.862 25484 6765 1 15 . 1 1 33 33 LEU CB C 33 40.970 40.970 42.946 -1.976 25484 6766 1 15 . 1 1 33 33 LEU H H 33 8.546 8.546 7.492 1.054 25484 6767 1 15 . 1 1 34 34 PRO HA H 34 4.370 4.370 4.510 -0.140 25484 6768 1 15 . 1 1 34 34 PRO C C 34 178.640 178.640 178.129 0.511 25484 6769 1 15 . 1 1 34 34 PRO CA C 34 65.530 65.530 65.527 0.003 25484 6770 1 15 . 1 1 34 34 PRO CB C 34 31.970 31.970 31.820 0.150 25484 6771 1 15 . 1 1 35 35 SER N N 35 111.940 111.940 112.964 -1.024 25484 6772 1 15 . 1 1 35 35 SER HA H 35 4.127 4.127 4.346 -0.219 25484 6773 1 15 . 1 1 35 35 SER C C 35 174.750 174.750 176.320 -1.570 25484 6774 1 15 . 1 1 35 35 SER CA C 35 60.100 60.100 60.823 -0.723 25484 6775 1 15 . 1 1 35 35 SER CB C 35 62.910 62.910 62.697 0.214 25484 6776 1 15 . 1 1 35 35 SER H H 35 8.350 8.350 8.641 -0.291 25484 6777 1 15 . 1 1 36 36 CYS N N 36 125.790 125.790 123.301 2.489 25484 6778 1 15 . 1 1 36 36 CYS HA H 36 4.215 4.215 4.044 0.171 25484 6779 1 15 . 1 1 36 36 CYS C C 36 177.070 177.070 176.354 0.716 25484 6780 1 15 . 1 1 36 36 CYS CA C 36 63.900 63.900 62.746 1.154 25484 6781 1 15 . 1 1 36 36 CYS CB C 36 29.650 29.650 27.714 1.936 25484 6782 1 15 . 1 1 36 36 CYS H H 36 7.490 7.490 7.999 -0.509 25484 6783 1 15 . 1 1 37 37 GLN N N 37 115.860 115.860 118.877 -3.017 25484 6784 1 15 . 1 1 37 37 GLN HA H 37 4.010 4.010 3.811 0.199 25484 6785 1 15 . 1 1 37 37 GLN C C 37 179.690 179.690 178.148 1.542 25484 6786 1 15 . 1 1 37 37 GLN CA C 37 59.980 59.980 59.126 0.854 25484 6787 1 15 . 1 1 37 37 GLN CB C 37 27.820 27.820 28.333 -0.513 25484 6788 1 15 . 1 1 37 37 GLN H H 37 8.170 8.170 8.689 -0.519 25484 6789 1 15 . 1 1 38 38 LYS N N 38 117.470 117.470 119.587 -2.117 25484 6790 1 15 . 1 1 38 38 LYS HA H 38 4.060 4.060 4.005 0.055 25484 6791 1 15 . 1 1 38 38 LYS C C 38 179.230 179.230 179.216 0.014 25484 6792 1 15 . 1 1 38 38 LYS CA C 38 59.450 59.450 59.286 0.164 25484 6793 1 15 . 1 1 38 38 LYS CB C 38 32.650 32.650 32.229 0.421 25484 6794 1 15 . 1 1 38 38 LYS H H 38 7.920 7.920 7.953 -0.033 25484 6795 1 15 . 1 1 39 39 MET N N 39 118.050 118.050 118.059 -0.009 25484 6796 1 15 . 1 1 39 39 MET HA H 39 4.559 4.559 4.111 0.448 25484 6797 1 15 . 1 1 39 39 MET C C 39 179.720 179.720 178.540 1.180 25484 6798 1 15 . 1 1 39 39 MET CA C 39 57.250 57.250 58.440 -1.190 25484 6799 1 15 . 1 1 39 39 MET CB C 39 32.550 32.550 32.006 0.544 25484 6800 1 15 . 1 1 39 39 MET H H 39 8.370 8.370 7.748 0.622 25484 6801 1 15 . 1 1 40 40 LYS N N 40 121.630 121.630 120.515 1.115 25484 6802 1 15 . 1 1 40 40 LYS HA H 40 3.840 3.840 3.957 -0.117 25484 6803 1 15 . 1 1 40 40 LYS C C 40 180.150 180.150 179.144 1.006 25484 6804 1 15 . 1 1 40 40 LYS CA C 40 61.520 61.520 60.233 1.287 25484 6805 1 15 . 1 1 40 40 LYS CB C 40 32.620 32.620 32.329 0.291 25484 6806 1 15 . 1 1 40 40 LYS H H 40 9.490 9.490 8.534 0.956 25484 6807 1 15 . 1 1 41 41 ARG N N 41 118.300 118.300 117.749 0.551 25484 6808 1 15 . 1 1 41 41 ARG HA H 41 4.180 4.180 4.103 0.077 25484 6809 1 15 . 1 1 41 41 ARG C C 41 180.080 180.080 178.094 1.986 25484 6810 1 15 . 1 1 41 41 ARG CA C 41 59.750 59.750 58.784 0.966 25484 6811 1 15 . 1 1 41 41 ARG CB C 41 30.010 30.010 30.218 -0.207 25484 6812 1 15 . 1 1 41 41 ARG H H 41 7.610 7.610 7.960 -0.350 25484 6813 1 15 . 1 1 42 42 VAL N N 42 121.750 121.750 119.007 2.743 25484 6814 1 15 . 1 1 42 42 VAL HA H 42 3.745 3.745 3.925 -0.180 25484 6815 1 15 . 1 1 42 42 VAL C C 42 178.130 178.130 177.578 0.552 25484 6816 1 15 . 1 1 42 42 VAL CA C 42 66.760 66.760 66.121 0.639 25484 6817 1 15 . 1 1 42 42 VAL CB C 42 31.520 31.520 32.554 -1.034 25484 6818 1 15 . 1 1 42 42 VAL H H 42 7.760 7.760 7.851 -0.091 25484 6819 1 15 . 1 1 43 43 VAL N N 43 120.580 120.580 121.489 -0.909 25484 6820 1 15 . 1 1 43 43 VAL HA H 43 3.531 3.531 3.575 -0.044 25484 6821 1 15 . 1 1 43 43 VAL C C 43 179.310 179.310 178.358 0.952 25484 6822 1 15 . 1 1 43 43 VAL CA C 43 67.120 67.120 67.109 0.011 25484 6823 1 15 . 1 1 43 43 VAL CB C 43 31.510 31.510 30.871 0.639 25484 6824 1 15 . 1 1 43 43 VAL H H 43 8.500 8.500 8.634 -0.134 25484 6825 1 15 . 1 1 44 44 GLN N N 44 119.280 119.280 116.679 2.601 25484 6826 1 15 . 1 1 44 44 GLN HA H 44 4.010 4.010 4.078 -0.068 25484 6827 1 15 . 1 1 44 44 GLN C C 44 179.330 179.330 178.553 0.777 25484 6828 1 15 . 1 1 44 44 GLN CA C 44 59.060 59.060 58.569 0.491 25484 6829 1 15 . 1 1 44 44 GLN CB C 44 28.030 28.030 28.137 -0.107 25484 6830 1 15 . 1 1 44 44 GLN H H 44 8.400 8.400 8.679 -0.279 25484 6831 1 15 . 1 1 45 45 HIS N N 45 119.160 119.160 119.782 -0.622 25484 6832 1 15 . 1 1 45 45 HIS HA H 45 4.283 4.283 4.344 -0.061 25484 6833 1 15 . 1 1 45 45 HIS C C 45 178.250 178.250 177.272 0.978 25484 6834 1 15 . 1 1 45 45 HIS CA C 45 59.950 59.950 60.020 -0.070 25484 6835 1 15 . 1 1 45 45 HIS CB C 45 27.150 27.150 29.845 -2.695 25484 6836 1 15 . 1 1 45 45 HIS H H 45 8.190 8.190 8.047 0.143 25484 6837 1 15 . 1 1 46 46 THR N N 46 111.110 111.110 115.318 -4.208 25484 6838 1 15 . 1 1 46 46 THR HA H 46 3.859 3.859 4.069 -0.210 25484 6839 1 15 . 1 1 46 46 THR C C 46 176.350 176.350 177.363 -1.013 25484 6840 1 15 . 1 1 46 46 THR CA C 46 65.670 65.670 66.214 -0.544 25484 6841 1 15 . 1 1 46 46 THR CB C 46 69.190 69.190 69.013 0.177 25484 6842 1 15 . 1 1 46 46 THR H H 46 7.980 7.980 8.450 -0.470 25484 6843 1 15 . 1 1 47 47 LYS N N 47 120.510 120.510 120.657 -0.147 25484 6844 1 15 . 1 1 47 47 LYS HA H 47 4.090 4.090 4.156 -0.066 25484 6845 1 15 . 1 1 47 47 LYS C C 47 178.150 178.150 178.696 -0.546 25484 6846 1 15 . 1 1 47 47 LYS CA C 47 58.750 58.750 58.785 -0.035 25484 6847 1 15 . 1 1 47 47 LYS CB C 47 32.360 32.360 32.388 -0.028 25484 6848 1 15 . 1 1 47 47 LYS H H 47 7.410 7.410 7.901 -0.491 25484 6849 1 15 . 1 1 48 48 GLY N N 48 104.210 104.210 105.436 -1.226 25484 6850 1 15 . 1 1 48 48 GLY C C 48 174.220 174.220 174.413 -0.193 25484 6851 1 15 . 1 1 48 48 GLY CA C 48 44.753 44.753 45.157 -0.404 25484 6852 1 15 . 1 1 48 48 GLY H H 48 7.180 7.180 7.940 -0.760 25484 6853 1 15 . 1 1 49 49 CYS N N 49 123.560 123.560 121.774 1.786 25484 6854 1 15 . 1 1 49 49 CYS HA H 49 4.010 4.010 4.492 -0.482 25484 6855 1 15 . 1 1 49 49 CYS C C 49 177.230 177.230 174.868 2.362 25484 6856 1 15 . 1 1 49 49 CYS CA C 49 61.230 61.230 58.168 3.062 25484 6857 1 15 . 1 1 49 49 CYS CB C 49 29.850 29.850 27.124 2.726 25484 6858 1 15 . 1 1 49 49 CYS H H 49 6.981 6.981 8.043 -1.062 25484 6859 1 15 . 1 1 50 50 LYS N N 50 128.350 128.350 123.470 4.880 25484 6860 1 15 . 1 1 50 50 LYS HA H 50 4.524 4.524 4.050 0.474 25484 6861 1 15 . 1 1 50 50 LYS C C 50 178.040 178.040 177.575 0.465 25484 6862 1 15 . 1 1 50 50 LYS CA C 50 56.750 56.750 59.480 -2.729 25484 6863 1 15 . 1 1 50 50 LYS CB C 50 32.950 32.950 32.224 0.726 25484 6864 1 15 . 1 1 50 50 LYS H H 50 8.999 8.999 8.090 0.909 25484 6865 1 15 . 1 1 51 51 ARG N N 51 122.550 122.550 117.933 4.617 25484 6866 1 15 . 1 1 51 51 ARG HA H 51 4.428 4.428 4.210 0.218 25484 6867 1 15 . 1 1 51 51 ARG C C 51 177.410 177.410 178.397 -0.987 25484 6868 1 15 . 1 1 51 51 ARG CA C 51 57.750 57.750 57.208 0.542 25484 6869 1 15 . 1 1 51 51 ARG CB C 51 31.860 31.860 28.780 3.080 25484 6870 1 15 . 1 1 51 51 ARG H H 51 8.558 8.558 8.288 0.270 25484 6871 1 15 . 1 1 52 52 LYS N N 52 119.040 119.040 120.788 -1.748 25484 6872 1 15 . 1 1 52 52 LYS HA H 52 4.534 4.534 4.065 0.469 25484 6873 1 15 . 1 1 52 52 LYS C C 52 177.610 177.610 178.395 -0.785 25484 6874 1 15 . 1 1 52 52 LYS CA C 52 57.970 57.970 60.058 -2.088 25484 6875 1 15 . 1 1 52 52 LYS CB C 52 32.350 32.350 32.116 0.234 25484 6876 1 15 . 1 1 52 52 LYS H H 52 8.490 8.490 8.411 0.079 25484 6877 1 15 . 1 1 53 53 THR N N 53 113.034 113.034 107.953 5.081 25484 6878 1 15 . 1 1 53 53 THR HA H 53 4.160 4.160 4.249 -0.089 25484 6879 1 15 . 1 1 53 53 THR C C 53 175.610 175.610 175.353 0.257 25484 6880 1 15 . 1 1 53 53 THR CA C 53 64.050 64.050 63.868 0.182 25484 6881 1 15 . 1 1 53 53 THR CB C 53 69.120 69.120 68.782 0.338 25484 6882 1 15 . 1 1 53 53 THR H H 53 7.760 7.760 8.238 -0.478 25484 6883 1 15 . 1 1 54 54 ASN N N 54 119.860 119.860 120.074 -0.214 25484 6884 1 15 . 1 1 54 54 ASN HA H 54 4.920 4.920 4.607 0.313 25484 6885 1 15 . 1 1 54 54 ASN C C 54 176.330 176.330 176.838 -0.508 25484 6886 1 15 . 1 1 54 54 ASN CA C 54 53.720 53.720 54.851 -1.131 25484 6887 1 15 . 1 1 54 54 ASN CB C 54 38.350 38.350 39.030 -0.680 25484 6888 1 15 . 1 1 54 54 ASN H H 54 8.290 8.290 7.701 0.589 25484 6889 1 15 . 1 1 55 55 GLY N N 55 107.570 107.570 103.677 3.893 25484 6890 1 15 . 1 1 55 55 GLY C C 55 175.660 175.660 174.867 0.793 25484 6891 1 15 . 1 1 55 55 GLY CA C 55 45.938 45.938 44.690 1.248 25484 6892 1 15 . 1 1 55 55 GLY H H 55 8.006 8.006 7.831 0.175 25484 6893 1 15 . 1 1 56 56 GLY N N 56 107.290 107.290 108.683 -1.393 25484 6894 1 15 . 1 1 56 56 GLY C C 56 173.710 173.710 174.776 -1.066 25484 6895 1 15 . 1 1 56 56 GLY CA C 56 45.570 45.570 45.094 0.476 25484 6896 1 15 . 1 1 56 56 GLY H H 56 7.840 7.840 7.568 0.272 25484 6897 1 15 . 1 1 57 57 CYS N N 57 122.730 122.730 120.509 2.221 25484 6898 1 15 . 1 1 57 57 CYS HA H 57 4.505 4.505 4.878 -0.373 25484 6899 1 15 . 1 1 57 57 CYS C C 57 175.090 175.090 173.039 2.051 25484 6900 1 15 . 1 1 57 57 CYS CA C 57 55.950 55.950 55.330 0.620 25484 6901 1 15 . 1 1 57 57 CYS CB C 57 30.760 30.760 28.168 2.592 25484 6902 1 15 . 1 1 57 57 CYS H H 57 8.048 8.048 8.006 0.042 25484 6903 1 15 . 1 1 58 58 PRO HA H 58 4.338 4.338 4.828 -0.490 25484 6904 1 15 . 1 1 58 58 PRO CA C 58 65.050 65.050 62.554 2.496 25484 6905 1 15 . 1 1 58 58 PRO CB C 58 32.620 32.620 31.299 1.321 25484 6906 1 15 . 1 1 59 59 ILE N N 59 121.256 121.256 124.237 -2.981 25484 6907 1 15 . 1 1 59 59 ILE HA H 59 3.818 3.818 4.080 -0.262 25484 6908 1 15 . 1 1 59 59 ILE C C 59 178.820 178.820 176.393 2.427 25484 6909 1 15 . 1 1 59 59 ILE CA C 59 64.590 64.590 62.802 1.788 25484 6910 1 15 . 1 1 59 59 ILE CB C 59 38.890 38.890 38.445 0.445 25484 6911 1 15 . 1 1 59 59 ILE H H 59 7.900 7.900 8.127 -0.227 25484 6912 1 15 . 1 1 60 60 CYS N N 60 123.970 123.970 119.957 4.013 25484 6913 1 15 . 1 1 60 60 CYS HA H 60 4.117 4.117 4.013 0.104 25484 6914 1 15 . 1 1 60 60 CYS C C 60 178.110 178.110 176.756 1.354 25484 6915 1 15 . 1 1 60 60 CYS CA C 60 66.090 66.090 63.752 2.338 25484 6916 1 15 . 1 1 60 60 CYS CB C 60 29.150 29.150 26.852 2.298 25484 6917 1 15 . 1 1 60 60 CYS H H 60 8.914 8.914 8.221 0.693 25484 6918 1 15 . 1 1 61 61 LYS N N 61 117.210 117.210 119.063 -1.853 25484 6919 1 15 . 1 1 61 61 LYS HA H 61 3.910 3.910 3.850 0.060 25484 6920 1 15 . 1 1 61 61 LYS C C 61 179.460 179.460 178.805 0.655 25484 6921 1 15 . 1 1 61 61 LYS CA C 61 59.970 59.970 59.869 0.101 25484 6922 1 15 . 1 1 61 61 LYS CB C 61 32.650 32.650 32.349 0.301 25484 6923 1 15 . 1 1 61 61 LYS H H 61 8.090 8.090 8.148 -0.058 25484 6924 1 15 . 1 1 62 62 GLN N N 62 117.780 117.780 117.896 -0.116 25484 6925 1 15 . 1 1 62 62 GLN HA H 62 4.203 4.203 4.157 0.046 25484 6926 1 15 . 1 1 62 62 GLN C C 62 178.564 178.564 178.953 -0.389 25484 6927 1 15 . 1 1 62 62 GLN CA C 62 58.450 58.450 58.365 0.085 25484 6928 1 15 . 1 1 62 62 GLN CB C 62 29.140 29.140 28.914 0.226 25484 6929 1 15 . 1 1 62 62 GLN H H 62 7.360 7.360 7.484 -0.124 25484 6930 1 15 . 1 1 63 63 LEU N N 63 119.930 119.930 123.591 -3.661 25484 6931 1 15 . 1 1 63 63 LEU HA H 63 4.218 4.218 4.109 0.109 25484 6932 1 15 . 1 1 63 63 LEU C C 63 179.440 179.440 178.034 1.406 25484 6933 1 15 . 1 1 63 63 LEU CA C 63 58.550 58.550 57.792 0.758 25484 6934 1 15 . 1 1 63 63 LEU CB C 63 41.910 41.910 41.717 0.193 25484 6935 1 15 . 1 1 63 63 LEU H H 63 8.075 8.075 8.975 -0.900 25484 6936 1 15 . 1 1 64 64 ILE N N 64 120.280 120.280 120.339 -0.059 25484 6937 1 15 . 1 1 64 64 ILE HA H 64 3.600 3.600 3.718 -0.118 25484 6938 1 15 . 1 1 64 64 ILE C C 64 177.950 177.950 177.928 0.022 25484 6939 1 15 . 1 1 64 64 ILE CA C 64 65.250 65.250 66.001 -0.751 25484 6940 1 15 . 1 1 64 64 ILE CB C 64 37.320 37.320 37.333 -0.013 25484 6941 1 15 . 1 1 64 64 ILE H H 64 8.466 8.466 8.911 -0.445 25484 6942 1 15 . 1 1 65 65 ALA N N 65 122.590 122.590 122.284 0.306 25484 6943 1 15 . 1 1 65 65 ALA HA H 65 4.185 4.185 4.086 0.099 25484 6944 1 15 . 1 1 65 65 ALA C C 65 181.010 181.010 179.658 1.352 25484 6945 1 15 . 1 1 65 65 ALA CA C 65 55.220 55.220 55.468 -0.248 25484 6946 1 15 . 1 1 65 65 ALA CB C 65 18.450 18.450 18.158 0.292 25484 6947 1 15 . 1 1 65 65 ALA H H 65 7.496 7.496 8.627 -1.131 25484 6948 1 15 . 1 1 66 66 LEU N N 66 115.599 115.599 120.659 -5.060 25484 6949 1 15 . 1 1 66 66 LEU HA H 66 4.100 4.100 4.402 -0.302 25484 6950 1 15 . 1 1 66 66 LEU C C 66 179.380 179.380 178.879 0.501 25484 6951 1 15 . 1 1 66 66 LEU CA C 66 57.930 57.930 57.892 0.038 25484 6952 1 15 . 1 1 66 66 LEU CB C 66 41.410 41.410 41.602 -0.192 25484 6953 1 15 . 1 1 66 66 LEU H H 66 8.139 8.139 8.026 0.113 25484 6954 1 15 . 1 1 67 67 ALA N N 67 122.670 122.670 121.526 1.144 25484 6955 1 15 . 1 1 67 67 ALA HA H 67 3.958 3.958 3.879 0.079 25484 6956 1 15 . 1 1 67 67 ALA C C 67 180.060 180.060 179.511 0.549 25484 6957 1 15 . 1 1 67 67 ALA CA C 67 55.750 55.750 55.520 0.230 25484 6958 1 15 . 1 1 67 67 ALA CB C 67 19.220 19.220 18.254 0.966 25484 6959 1 15 . 1 1 67 67 ALA H H 67 8.770 8.770 8.995 -0.225 25484 6960 1 15 . 1 1 68 68 ALA N N 68 120.580 120.580 121.904 -1.324 25484 6961 1 15 . 1 1 68 68 ALA HA H 68 4.142 4.142 4.680 -0.538 25484 6962 1 15 . 1 1 68 68 ALA C C 68 179.540 179.540 179.588 -0.048 25484 6963 1 15 . 1 1 68 68 ALA CA C 68 55.450 55.450 54.679 0.771 25484 6964 1 15 . 1 1 68 68 ALA CB C 68 18.220 18.220 19.142 -0.922 25484 6965 1 15 . 1 1 68 68 ALA H H 68 8.604 8.604 8.761 -0.157 25484 6966 1 15 . 1 1 69 69 TYR HA H 69 4.345 4.345 4.251 0.094 25484 6967 1 15 . 1 1 69 69 TYR CA C 69 57.750 57.750 60.436 -2.686 25484 6968 1 15 . 1 1 69 69 TYR CB C 69 38.580 38.580 37.641 0.939 25484 6969 1 15 . 1 1 71 71 ALA HA H 71 4.000 4.000 3.854 0.146 25484 6970 1 15 . 1 1 71 71 ALA C C 71 179.540 179.540 178.816 0.724 25484 6971 1 15 . 1 1 71 71 ALA CA C 71 54.850 54.850 55.071 -0.221 25484 6972 1 15 . 1 1 71 71 ALA CB C 71 19.650 19.650 18.333 1.317 25484 6973 1 15 . 1 1 72 72 LYS N N 72 114.680 114.680 116.903 -2.223 25484 6974 1 15 . 1 1 72 72 LYS HA H 72 3.904 3.904 4.008 -0.104 25484 6975 1 15 . 1 1 72 72 LYS C C 72 177.120 177.120 178.879 -1.759 25484 6976 1 15 . 1 1 72 72 LYS CA C 72 58.230 58.230 59.046 -0.816 25484 6977 1 15 . 1 1 72 72 LYS CB C 72 32.340 32.340 32.589 -0.249 25484 6978 1 15 . 1 1 72 72 LYS H H 72 7.080 7.080 7.965 -0.885 25484 6979 1 15 . 1 1 73 73 HIS N N 73 113.498 113.498 115.872 -2.374 25484 6980 1 15 . 1 1 73 73 HIS HA H 73 4.826 4.826 4.575 0.251 25484 6981 1 15 . 1 1 73 73 HIS C C 73 173.660 173.660 175.343 -1.683 25484 6982 1 15 . 1 1 73 73 HIS CA C 73 54.380 54.380 57.140 -2.760 25484 6983 1 15 . 1 1 73 73 HIS CB C 73 30.350 30.350 31.744 -1.394 25484 6984 1 15 . 1 1 73 73 HIS H H 73 7.250 7.250 7.747 -0.497 25484 6985 1 15 . 1 1 74 74 CYS N N 74 123.830 123.830 120.641 3.189 25484 6986 1 15 . 1 1 74 74 CYS HA H 74 4.150 4.150 4.366 -0.216 25484 6987 1 15 . 1 1 74 74 CYS C C 74 176.480 176.480 173.829 2.651 25484 6988 1 15 . 1 1 74 74 CYS CA C 74 60.250 60.250 58.054 2.196 25484 6989 1 15 . 1 1 74 74 CYS CB C 74 29.930 29.930 26.170 3.760 25484 6990 1 15 . 1 1 74 74 CYS H H 74 7.140 7.140 8.432 -1.292 25484 6991 1 15 . 1 1 75 75 GLN N N 75 128.740 128.740 127.925 0.815 25484 6992 1 15 . 1 1 75 75 GLN HA H 75 4.685 4.685 4.185 0.500 25484 6993 1 15 . 1 1 75 75 GLN C C 75 176.090 176.090 174.956 1.134 25484 6994 1 15 . 1 1 75 75 GLN CA C 75 54.900 54.900 56.199 -1.299 25484 6995 1 15 . 1 1 75 75 GLN CB C 75 29.840 29.840 27.647 2.193 25484 6996 1 15 . 1 1 75 75 GLN H H 75 9.088 9.088 8.337 0.751 25484 6997 1 15 . 1 1 76 76 GLU N N 76 123.190 123.190 123.226 -0.036 25484 6998 1 15 . 1 1 76 76 GLU HA H 76 4.480 4.480 4.523 -0.043 25484 6999 1 15 . 1 1 76 76 GLU C C 76 177.030 177.030 174.788 2.242 25484 7000 1 15 . 1 1 76 76 GLU CA C 76 56.210 56.210 55.628 0.582 25484 7001 1 15 . 1 1 76 76 GLU CB C 76 30.660 30.660 32.447 -1.787 25484 7002 1 15 . 1 1 76 76 GLU H H 76 8.390 8.390 7.911 0.479 25484 7003 1 15 . 1 1 77 77 ASN N N 77 124.760 124.760 123.570 1.190 25484 7004 1 15 . 1 1 77 77 ASN HA H 77 4.549 4.549 4.777 -0.228 25484 7005 1 15 . 1 1 77 77 ASN C C 77 176.070 176.070 176.191 -0.121 25484 7006 1 15 . 1 1 77 77 ASN CA C 77 55.100 55.100 52.302 2.798 25484 7007 1 15 . 1 1 77 77 ASN CB C 77 38.650 38.650 38.686 -0.036 25484 7008 1 15 . 1 1 77 77 ASN H H 77 8.848 8.848 8.697 0.151 25484 7009 1 15 . 1 1 78 78 LYS N N 78 120.810 120.810 120.733 0.077 25484 7010 1 15 . 1 1 78 78 LYS HA H 78 4.460 4.460 4.102 0.358 25484 7011 1 15 . 1 1 78 78 LYS C C 78 175.230 175.230 175.362 -0.132 25484 7012 1 15 . 1 1 78 78 LYS CA C 78 54.920 54.920 58.399 -3.479 25484 7013 1 15 . 1 1 78 78 LYS CB C 78 31.020 31.020 31.834 -0.814 25484 7014 1 15 . 1 1 78 78 LYS H H 78 8.636 8.636 7.589 1.047 25484 7015 1 15 . 1 1 80 80 PRO HA H 80 4.710 4.710 4.425 0.285 25484 7016 1 15 . 1 1 80 80 PRO CA C 80 62.850 62.850 63.928 -1.078 25484 7017 1 15 . 1 1 80 80 PRO CB C 80 32.150 32.150 32.704 -0.554 25484 7018 1 15 . 1 1 81 81 VAL HA H 81 3.578 3.578 4.207 -0.629 25484 7019 1 15 . 1 1 81 81 VAL CA C 81 62.350 62.350 58.716 3.634 25484 7020 1 15 . 1 1 81 81 VAL CB C 81 31.616 31.616 31.909 -0.293 25484 7021 1 15 . 1 1 82 82 PRO HA H 82 4.850 4.850 3.800 1.050 25484 7022 1 15 . 1 1 82 82 PRO CA C 82 63.350 63.350 62.116 1.234 25484 7023 1 15 . 1 1 82 82 PRO CB C 82 32.050 32.050 32.059 -0.009 25484 7024 1 15 . 1 1 83 83 PHE HA H 83 4.160 4.160 4.260 -0.100 25484 7025 1 15 . 1 1 83 83 PHE CA C 83 58.950 58.950 59.197 -0.247 25484 7026 1 15 . 1 1 83 83 PHE CB C 83 38.250 38.250 36.168 2.082 25484 7027 1 15 . 1 1 84 84 CYS HA H 84 4.597 4.597 4.919 -0.322 25484 7028 1 15 . 1 1 84 84 CYS CA C 84 56.750 56.750 55.702 1.048 25484 7029 1 15 . 1 1 84 84 CYS CB C 84 30.150 30.150 30.460 -0.310 25484 7030 1 15 . 1 1 85 85 LEU N N 85 119.930 119.930 120.354 -0.424 25484 7031 1 15 . 1 1 85 85 LEU HA H 85 3.958 3.958 4.313 -0.355 25484 7032 1 15 . 1 1 85 85 LEU CA C 85 59.350 59.350 56.477 2.873 25484 7033 1 15 . 1 1 85 85 LEU CB C 85 38.180 38.180 39.005 -0.825 25484 7034 1 15 . 1 1 85 85 LEU H H 85 8.220 8.220 8.783 -0.563 25484 7035 1 15 . 1 1 86 86 ASN N N 86 115.750 115.750 117.388 -1.638 25484 7036 1 15 . 1 1 86 86 ASN HA H 86 4.580 4.580 4.793 -0.213 25484 7037 1 15 . 1 1 86 86 ASN CA C 86 51.860 51.860 54.178 -2.318 25484 7038 1 15 . 1 1 86 86 ASN CB C 86 38.610 38.610 40.323 -1.713 25484 7039 1 15 . 1 1 86 86 ASN H H 86 7.789 7.789 8.416 -0.627 25484 7040 1 15 . 1 1 87 87 ILE N N 87 123.260 123.260 120.836 2.424 25484 7041 1 15 . 1 1 87 87 ILE HA H 87 4.220 4.220 4.054 0.166 25484 7042 1 15 . 1 1 87 87 ILE CA C 87 61.850 61.850 62.769 -0.919 25484 7043 1 15 . 1 1 87 87 ILE CB C 87 41.330 41.330 39.108 2.222 25484 7044 1 15 . 1 1 87 87 ILE H H 87 7.160 7.160 8.433 -1.273 25484 7045 1 15 . 1 1 88 88 LYS HA H 88 4.450 4.450 4.673 -0.223 25484 7046 1 15 . 1 1 88 88 LYS CA C 88 54.530 54.530 54.650 -0.120 25484 7047 1 15 . 1 1 88 88 LYS CB C 88 31.450 31.450 34.062 -2.612 25484 7048 1 15 . 1 1 89 89 GLN HA H 89 4.450 4.450 4.613 -0.163 25484 7049 1 15 . 1 1 89 89 GLN CA C 89 56.210 56.210 55.929 0.281 25484 7050 1 15 . 1 1 89 89 GLN CB C 89 29.250 29.250 28.546 0.704 25484 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 73 2.518 -0.342 2.512 25484 2 1 1 "Average Difference" HA 90 0.241 -0.016 0.242 25484 3 1 1 "Average Difference" C 74 1.232 -0.573 1.099 25484 4 1 1 "Average Difference" CA 86 1.304 -0.105 1.308 25484 5 1 1 "Average Difference" CB 82 1.200 -0.215 1.188 25484 6 1 1 "Average Difference" HN 73 0.548 0.092 0.544 25484 7 1 2 "Average Difference" N 73 2.567 -0.437 2.547 25484 8 1 2 "Average Difference" HA 90 0.266 -0.017 0.267 25484 9 1 2 "Average Difference" C 74 1.302 -0.578 1.175 25484 10 1 2 "Average Difference" CA 86 1.457 -0.114 1.461 25484 11 1 2 "Average Difference" CB 82 1.244 -0.260 1.224 25484 12 1 2 "Average Difference" HN 73 0.562 0.078 0.560 25484 13 1 3 "Average Difference" N 73 2.447 -0.358 2.438 25484 14 1 3 "Average Difference" HA 90 0.290 -0.038 0.289 25484 15 1 3 "Average Difference" C 74 1.237 -0.598 1.091 25484 16 1 3 "Average Difference" CA 86 1.395 -0.093 1.400 25484 17 1 3 "Average Difference" CB 82 1.264 -0.291 1.238 25484 18 1 3 "Average Difference" HN 73 0.553 0.076 0.552 25484 19 1 4 "Average Difference" N 73 2.569 -0.378 2.558 25484 20 1 4 "Average Difference" HA 90 0.253 -0.032 0.252 25484 21 1 4 "Average Difference" C 74 1.264 -0.572 1.135 25484 22 1 4 "Average Difference" CA 86 1.460 -0.089 1.466 25484 23 1 4 "Average Difference" CB 82 1.336 -0.322 1.305 25484 24 1 4 "Average Difference" HN 73 0.553 0.045 0.555 25484 25 1 5 "Average Difference" N 73 2.531 -0.490 2.501 25484 26 1 5 "Average Difference" HA 90 0.266 -0.012 0.267 25484 27 1 5 "Average Difference" C 74 1.292 -0.609 1.148 25484 28 1 5 "Average Difference" CA 86 1.505 -0.126 1.508 25484 29 1 5 "Average Difference" CB 82 1.220 -0.231 1.205 25484 30 1 5 "Average Difference" HN 73 0.527 0.084 0.523 25484 31 1 6 "Average Difference" N 73 2.497 -0.554 2.451 25484 32 1 6 "Average Difference" HA 90 0.276 -0.044 0.274 25484 33 1 6 "Average Difference" C 74 1.314 -0.626 1.163 25484 34 1 6 "Average Difference" CA 86 1.315 -0.151 1.314 25484 35 1 6 "Average Difference" CB 82 1.183 -0.261 1.161 25484 36 1 6 "Average Difference" HN 73 0.549 0.040 0.552 25484 37 1 7 "Average Difference" N 73 2.588 -0.503 2.557 25484 38 1 7 "Average Difference" HA 90 0.256 -0.038 0.255 25484 39 1 7 "Average Difference" C 74 1.301 -0.604 1.160 25484 40 1 7 "Average Difference" CA 86 1.403 -0.149 1.403 25484 41 1 7 "Average Difference" CB 82 1.239 -0.216 1.228 25484 42 1 7 "Average Difference" HN 73 0.574 0.069 0.574 25484 43 1 8 "Average Difference" N 73 2.570 -0.480 2.542 25484 44 1 8 "Average Difference" HA 90 0.255 -0.030 0.255 25484 45 1 8 "Average Difference" C 74 1.291 -0.645 1.125 25484 46 1 8 "Average Difference" CA 86 1.374 -0.141 1.375 25484 47 1 8 "Average Difference" CB 82 1.176 -0.244 1.157 25484 48 1 8 "Average Difference" HN 73 0.510 0.064 0.510 25484 49 1 9 "Average Difference" N 73 2.760 -0.667 2.696 25484 50 1 9 "Average Difference" HA 90 0.240 -0.043 0.237 25484 51 1 9 "Average Difference" C 74 1.268 -0.594 1.128 25484 52 1 9 "Average Difference" CA 86 1.389 -0.125 1.391 25484 53 1 9 "Average Difference" CB 82 1.158 -0.174 1.152 25484 54 1 9 "Average Difference" HN 73 0.546 0.070 0.545 25484 55 1 10 "Average Difference" N 73 2.563 -0.370 2.554 25484 56 1 10 "Average Difference" HA 90 0.255 -0.010 0.256 25484 57 1 10 "Average Difference" C 74 1.260 -0.544 1.144 25484 58 1 10 "Average Difference" CA 86 1.528 -0.049 1.537 25484 59 1 10 "Average Difference" CB 82 1.222 -0.278 1.198 25484 60 1 10 "Average Difference" HN 73 0.596 0.050 0.598 25484 61 1 11 "Average Difference" N 73 2.433 -0.261 2.435 25484 62 1 11 "Average Difference" HA 90 0.245 -0.036 0.244 25484 63 1 11 "Average Difference" C 74 1.270 -0.558 1.149 25484 64 1 11 "Average Difference" CA 86 1.388 -0.057 1.395 25484 65 1 11 "Average Difference" CB 82 1.243 -0.319 1.209 25484 66 1 11 "Average Difference" HN 73 0.564 0.076 0.563 25484 67 1 12 "Average Difference" N 73 2.532 -0.527 2.494 25484 68 1 12 "Average Difference" HA 90 0.250 -0.018 0.251 25484 69 1 12 "Average Difference" C 74 1.232 -0.598 1.084 25484 70 1 12 "Average Difference" CA 86 1.406 -0.125 1.408 25484 71 1 12 "Average Difference" CB 82 1.211 -0.268 1.188 25484 72 1 12 "Average Difference" HN 73 0.542 0.049 0.544 25484 73 1 13 "Average Difference" N 73 2.442 -0.432 2.420 25484 74 1 13 "Average Difference" HA 90 0.248 -0.030 0.247 25484 75 1 13 "Average Difference" C 74 1.304 -0.612 1.159 25484 76 1 13 "Average Difference" CA 86 1.390 -0.171 1.387 25484 77 1 13 "Average Difference" CB 82 1.239 -0.306 1.208 25484 78 1 13 "Average Difference" HN 73 0.525 0.084 0.521 25484 79 1 14 "Average Difference" N 73 2.483 -0.421 2.464 25484 80 1 14 "Average Difference" HA 90 0.278 -0.041 0.276 25484 81 1 14 "Average Difference" C 74 1.318 -0.650 1.154 25484 82 1 14 "Average Difference" CA 86 1.361 -0.183 1.357 25484 83 1 14 "Average Difference" CB 82 1.149 -0.259 1.126 25484 84 1 14 "Average Difference" HN 73 0.578 0.070 0.578 25484 85 1 15 "Average Difference" N 73 2.422 -0.365 2.411 25484 86 1 15 "Average Difference" HA 90 0.265 -0.018 0.266 25484 87 1 15 "Average Difference" C 74 1.253 -0.563 1.127 25484 88 1 15 "Average Difference" CA 86 1.416 -0.036 1.424 25484 89 1 15 "Average Difference" CB 82 1.191 -0.236 1.174 25484 90 1 15 "Average Difference" HN 73 0.570 0.089 0.567 25484 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 25484 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 THR HA H 2 4.415 4.415 4.277 0.138 25484 2 1 . 1 1 2 2 THR C C 2 174.580 174.580 174.552 0.028 25484 3 1 . 1 1 2 2 THR CA C 2 62.450 62.450 63.339 -0.889 25484 4 1 . 1 1 2 2 THR CB C 2 70.050 70.050 69.368 0.682 25484 5 1 . 1 1 3 3 GLN N N 3 123.423 123.423 118.625 4.798 25484 6 1 . 1 1 3 3 GLN HA H 3 4.480 4.480 4.545 -0.065 25484 7 1 . 1 1 3 3 GLN C C 3 176.040 176.040 175.216 0.824 25484 8 1 . 1 1 3 3 GLN CA C 3 55.950 55.950 55.615 0.335 25484 9 1 . 1 1 3 3 GLN CB C 3 30.550 30.550 30.137 0.413 25484 10 1 . 1 1 3 3 GLN H H 3 8.536 8.536 8.143 0.393 25484 11 1 . 1 1 4 4 SER N N 4 119.390 119.390 117.019 2.371 25484 12 1 . 1 1 4 4 SER HA H 4 4.834 4.834 4.677 0.157 25484 13 1 . 1 1 4 4 SER C C 4 173.640 173.640 173.799 -0.159 25484 14 1 . 1 1 4 4 SER CA C 4 56.250 56.250 59.540 -3.289 25484 15 1 . 1 1 4 4 SER CB C 4 63.400 63.400 62.210 1.190 25484 16 1 . 1 1 4 4 SER H H 4 8.150 8.150 8.345 -0.195 25484 17 1 . 1 1 5 5 PRO HA H 5 4.480 4.480 4.449 0.031 25484 18 1 . 1 1 5 5 PRO C C 5 178.180 178.180 176.181 1.999 25484 19 1 . 1 1 5 5 PRO CA C 5 64.040 64.040 63.468 0.572 25484 20 1 . 1 1 5 5 PRO CB C 5 32.120 32.120 32.047 0.073 25484 21 1 . 1 1 6 6 GLY N N 6 108.600 108.600 105.976 2.624 25484 22 1 . 1 1 6 6 GLY C C 6 174.930 174.930 174.352 0.578 25484 23 1 . 1 1 6 6 GLY CA C 6 45.750 45.750 44.638 1.112 25484 24 1 . 1 1 6 6 GLY H H 6 8.470 8.470 7.642 0.828 25484 25 1 . 1 1 7 7 ASP N N 7 121.260 121.260 122.857 -1.597 25484 26 1 . 1 1 7 7 ASP HA H 7 4.660 4.660 4.357 0.303 25484 27 1 . 1 1 7 7 ASP C C 7 177.580 177.580 177.237 0.343 25484 28 1 . 1 1 7 7 ASP CA C 7 55.200 55.200 57.663 -2.463 25484 29 1 . 1 1 7 7 ASP CB C 7 41.400 41.400 41.131 0.269 25484 30 1 . 1 1 7 7 ASP H H 7 8.130 8.130 8.218 -0.088 25484 31 1 . 1 1 8 8 SER N N 8 116.818 116.818 114.256 2.562 25484 32 1 . 1 1 8 8 SER HA H 8 4.340 4.340 4.236 0.104 25484 33 1 . 1 1 8 8 SER C C 8 176.310 176.310 176.666 -0.356 25484 34 1 . 1 1 8 8 SER CA C 8 60.050 60.050 61.394 -1.344 25484 35 1 . 1 1 8 8 SER CB C 8 63.190 63.190 62.914 0.276 25484 36 1 . 1 1 8 8 SER H H 8 8.372 8.372 8.518 -0.146 25484 37 1 . 1 1 9 9 ARG N N 9 123.150 123.150 122.094 1.056 25484 38 1 . 1 1 9 9 ARG HA H 9 4.260 4.260 4.101 0.159 25484 39 1 . 1 1 9 9 ARG C C 9 177.710 177.710 178.443 -0.733 25484 40 1 . 1 1 9 9 ARG CA C 9 58.050 58.050 58.646 -0.596 25484 41 1 . 1 1 9 9 ARG CB C 9 30.350 30.350 29.972 0.379 25484 42 1 . 1 1 9 9 ARG H H 9 8.308 8.308 7.547 0.761 25484 43 1 . 1 1 10 10 ARG N N 10 119.940 119.940 119.755 0.185 25484 44 1 . 1 1 10 10 ARG HA H 10 4.110 4.110 4.087 0.023 25484 45 1 . 1 1 10 10 ARG C C 10 178.180 178.180 178.878 -0.698 25484 46 1 . 1 1 10 10 ARG CA C 10 58.420 58.420 59.360 -0.940 25484 47 1 . 1 1 10 10 ARG CB C 10 30.260 30.260 29.997 0.263 25484 48 1 . 1 1 10 10 ARG H H 10 8.075 8.075 8.130 -0.055 25484 49 1 . 1 1 11 11 LEU N N 11 121.060 121.060 119.653 1.407 25484 50 1 . 1 1 11 11 LEU HA H 11 4.225 4.225 4.127 0.098 25484 51 1 . 1 1 11 11 LEU C C 11 179.950 179.950 178.960 0.990 25484 52 1 . 1 1 11 11 LEU CA C 11 57.450 57.450 58.187 -0.737 25484 53 1 . 1 1 11 11 LEU CB C 11 41.910 41.910 41.467 0.443 25484 54 1 . 1 1 11 11 LEU H H 11 8.160 8.160 8.755 -0.595 25484 55 1 . 1 1 12 12 SER N N 12 116.470 116.470 115.347 1.123 25484 56 1 . 1 1 12 12 SER HA H 12 4.317 4.317 4.220 0.097 25484 57 1 . 1 1 12 12 SER C C 12 176.960 176.960 176.638 0.322 25484 58 1 . 1 1 12 12 SER CA C 12 60.760 60.760 61.622 -0.862 25484 59 1 . 1 1 12 12 SER CB C 12 63.350 63.350 62.885 0.465 25484 60 1 . 1 1 12 12 SER H H 12 8.179 8.179 7.827 0.352 25484 61 1 . 1 1 13 13 ILE N N 13 123.740 123.740 121.179 2.561 25484 62 1 . 1 1 13 13 ILE HA H 13 3.690 3.690 3.743 -0.053 25484 63 1 . 1 1 13 13 ILE C C 13 177.660 177.660 177.522 0.138 25484 64 1 . 1 1 13 13 ILE CA C 13 64.930 64.930 64.440 0.490 25484 65 1 . 1 1 13 13 ILE CB C 13 37.650 37.650 37.295 0.355 25484 66 1 . 1 1 13 13 ILE H H 13 8.130 8.130 7.830 0.300 25484 67 1 . 1 1 14 14 GLN N N 14 119.220 119.220 121.067 -1.847 25484 68 1 . 1 1 14 14 GLN HA H 14 4.040 4.040 3.850 0.190 25484 69 1 . 1 1 14 14 GLN C C 14 179.490 179.490 178.451 1.039 25484 70 1 . 1 1 14 14 GLN CA C 14 59.750 59.750 59.988 -0.238 25484 71 1 . 1 1 14 14 GLN CB C 14 27.730 27.730 28.502 -0.772 25484 72 1 . 1 1 14 14 GLN H H 14 8.113 8.113 8.950 -0.837 25484 73 1 . 1 1 15 15 ARG N N 15 119.160 119.160 118.311 0.849 25484 74 1 . 1 1 15 15 ARG HA H 15 4.150 4.150 4.176 -0.026 25484 75 1 . 1 1 15 15 ARG C C 15 179.460 179.460 178.388 1.072 25484 76 1 . 1 1 15 15 ARG CA C 15 59.150 59.150 59.164 -0.014 25484 77 1 . 1 1 15 15 ARG CB C 15 30.090 30.090 30.022 0.068 25484 78 1 . 1 1 15 15 ARG H H 15 8.200 8.200 8.163 0.037 25484 79 1 . 1 1 16 16 ALA N N 16 124.140 124.140 124.093 0.047 25484 80 1 . 1 1 16 16 ALA HA H 16 3.990 3.990 4.151 -0.161 25484 81 1 . 1 1 16 16 ALA C C 16 180.230 180.230 179.744 0.486 25484 82 1 . 1 1 16 16 ALA CA C 16 55.550 55.550 54.940 0.610 25484 83 1 . 1 1 16 16 ALA CB C 16 18.750 18.750 18.523 0.227 25484 84 1 . 1 1 16 16 ALA H H 16 8.071 8.071 7.584 0.487 25484 85 1 . 1 1 17 17 ILE N N 17 118.180 118.180 119.685 -1.505 25484 86 1 . 1 1 17 17 ILE HA H 17 3.712 3.712 3.438 0.274 25484 87 1 . 1 1 17 17 ILE C C 17 178.210 178.210 177.927 0.283 25484 88 1 . 1 1 17 17 ILE CA C 17 64.870 64.870 65.960 -1.090 25484 89 1 . 1 1 17 17 ILE CB C 17 37.640 37.640 37.809 -0.169 25484 90 1 . 1 1 17 17 ILE H H 17 8.534 8.534 8.744 -0.210 25484 91 1 . 1 1 18 18 GLN N N 18 118.960 118.960 119.153 -0.193 25484 92 1 . 1 1 18 18 GLN HA H 18 4.134 4.134 3.879 0.255 25484 93 1 . 1 1 18 18 GLN C C 18 180.050 180.050 178.902 1.148 25484 94 1 . 1 1 18 18 GLN CA C 18 59.340 59.340 59.517 -0.177 25484 95 1 . 1 1 18 18 GLN CB C 18 28.030 28.030 28.460 -0.430 25484 96 1 . 1 1 18 18 GLN H H 18 8.200 8.200 8.804 -0.604 25484 97 1 . 1 1 19 19 SER N N 19 116.320 116.320 116.375 -0.055 25484 98 1 . 1 1 19 19 SER HA H 19 4.388 4.388 4.182 0.206 25484 99 1 . 1 1 19 19 SER C C 19 176.460 176.460 176.292 0.168 25484 100 1 . 1 1 19 19 SER CA C 19 62.250 62.250 62.446 -0.196 25484 101 1 . 1 1 19 19 SER CB C 19 63.270 63.270 63.087 0.183 25484 102 1 . 1 1 19 19 SER H H 19 8.190 8.190 8.324 -0.134 25484 103 1 . 1 1 20 20 LEU N N 20 125.540 125.540 124.391 1.149 25484 104 1 . 1 1 20 20 LEU HA H 20 4.075 4.075 3.988 0.087 25484 105 1 . 1 1 20 20 LEU C C 20 177.640 177.640 178.448 -0.808 25484 106 1 . 1 1 20 20 LEU CA C 20 58.750 58.750 58.412 0.338 25484 107 1 . 1 1 20 20 LEU CB C 20 42.390 42.390 41.935 0.455 25484 108 1 . 1 1 20 20 LEU H H 20 8.290 8.290 8.080 0.210 25484 109 1 . 1 1 21 21 VAL N N 21 118.690 118.690 118.349 0.341 25484 110 1 . 1 1 21 21 VAL HA H 21 3.356 3.356 3.479 -0.123 25484 111 1 . 1 1 21 21 VAL C C 21 178.770 178.770 177.751 1.019 25484 112 1 . 1 1 21 21 VAL CA C 21 66.850 66.850 67.409 -0.559 25484 113 1 . 1 1 21 21 VAL CB C 21 31.450 31.450 31.375 0.075 25484 114 1 . 1 1 21 21 VAL H H 21 8.532 8.532 8.944 -0.412 25484 115 1 . 1 1 22 22 HIS N N 22 116.230 116.230 119.651 -3.421 25484 116 1 . 1 1 22 22 HIS HA H 22 4.230 4.230 4.221 0.009 25484 117 1 . 1 1 22 22 HIS C C 22 178.420 178.420 176.944 1.476 25484 118 1 . 1 1 22 22 HIS CA C 22 59.980 59.980 60.137 -0.157 25484 119 1 . 1 1 22 22 HIS CB C 22 27.830 27.830 29.836 -2.006 25484 120 1 . 1 1 22 22 HIS H H 22 7.980 7.980 8.108 -0.128 25484 121 1 . 1 1 23 23 ALA N N 23 121.520 121.520 121.030 0.490 25484 122 1 . 1 1 23 23 ALA HA H 23 4.225 4.225 4.169 0.056 25484 123 1 . 1 1 23 23 ALA C C 23 179.540 179.540 178.586 0.954 25484 124 1 . 1 1 23 23 ALA CA C 23 55.250 55.250 54.733 0.517 25484 125 1 . 1 1 23 23 ALA CB C 23 19.550 19.550 18.556 0.994 25484 126 1 . 1 1 23 23 ALA H H 23 8.640 8.640 8.530 0.110 25484 127 1 . 1 1 24 24 ALA N N 24 116.860 116.860 119.734 -2.874 25484 128 1 . 1 1 24 24 ALA HA H 24 4.100 4.100 4.048 0.052 25484 129 1 . 1 1 24 24 ALA C C 24 178.130 178.130 179.362 -1.232 25484 130 1 . 1 1 24 24 ALA CA C 24 54.090 54.090 54.394 -0.304 25484 131 1 . 1 1 24 24 ALA CB C 24 18.750 18.750 18.715 0.035 25484 132 1 . 1 1 24 24 ALA H H 24 8.260 8.260 7.785 0.475 25484 133 1 . 1 1 25 25 GLN N N 25 112.450 112.450 117.331 -4.881 25484 134 1 . 1 1 25 25 GLN HA H 25 4.495 4.495 4.178 0.317 25484 135 1 . 1 1 25 25 GLN C C 25 174.940 174.940 176.049 -1.109 25484 136 1 . 1 1 25 25 GLN CA C 25 54.650 54.650 56.805 -2.155 25484 137 1 . 1 1 25 25 GLN CB C 25 30.650 30.650 30.123 0.527 25484 138 1 . 1 1 25 25 GLN H H 25 7.260 7.260 8.209 -0.949 25484 139 1 . 1 1 26 26 CYS N N 26 124.510 124.510 120.236 4.274 25484 140 1 . 1 1 26 26 CYS HA H 26 3.915 3.915 4.249 -0.334 25484 141 1 . 1 1 26 26 CYS C C 26 176.690 176.690 173.437 3.253 25484 142 1 . 1 1 26 26 CYS CA C 26 60.980 60.980 58.782 2.198 25484 143 1 . 1 1 26 26 CYS CB C 26 29.350 29.350 28.537 0.813 25484 144 1 . 1 1 26 26 CYS H H 26 7.365 7.365 8.399 -1.034 25484 145 1 . 1 1 27 27 ARG N N 27 129.870 129.870 127.295 2.575 25484 146 1 . 1 1 27 27 ARG HA H 27 4.635 4.635 4.516 0.119 25484 147 1 . 1 1 27 27 ARG C C 27 175.660 175.660 174.178 1.482 25484 148 1 . 1 1 27 27 ARG CA C 27 54.550 54.550 54.791 -0.241 25484 149 1 . 1 1 27 27 ARG CB C 27 30.350 30.350 29.110 1.240 25484 150 1 . 1 1 27 27 ARG H H 27 8.880 8.880 8.465 0.415 25484 151 1 . 1 1 28 28 ASN N N 28 120.810 120.810 121.943 -1.133 25484 152 1 . 1 1 28 28 ASN HA H 28 4.870 4.870 4.795 0.075 25484 153 1 . 1 1 28 28 ASN C C 28 176.120 176.120 175.141 0.979 25484 154 1 . 1 1 28 28 ASN CA C 28 51.930 51.930 53.157 -1.227 25484 155 1 . 1 1 28 28 ASN CB C 28 39.060 39.060 40.338 -1.278 25484 156 1 . 1 1 28 28 ASN H H 28 7.980 7.980 8.131 -0.151 25484 157 1 . 1 1 29 29 ALA N N 29 130.470 130.470 126.710 3.760 25484 158 1 . 1 1 29 29 ALA HA H 29 4.133 4.133 4.194 -0.061 25484 159 1 . 1 1 29 29 ALA C C 29 178.380 178.380 176.980 1.400 25484 160 1 . 1 1 29 29 ALA CA C 29 54.290 54.290 53.889 0.401 25484 161 1 . 1 1 29 29 ALA CB C 29 18.370 18.370 19.230 -0.860 25484 162 1 . 1 1 29 29 ALA H H 29 9.134 9.134 8.557 0.577 25484 163 1 . 1 1 30 30 ASN N N 30 114.590 114.590 114.427 0.163 25484 164 1 . 1 1 30 30 ASN HA H 30 4.875 4.875 4.936 -0.061 25484 165 1 . 1 1 30 30 ASN C C 30 174.530 174.530 174.451 0.079 25484 166 1 . 1 1 30 30 ASN CA C 30 51.930 51.930 51.903 0.027 25484 167 1 . 1 1 30 30 ASN CB C 30 38.910 38.910 38.935 -0.025 25484 168 1 . 1 1 30 30 ASN H H 30 8.114 8.114 7.978 0.136 25484 169 1 . 1 1 31 31 CYS N N 31 123.270 123.270 121.847 1.423 25484 170 1 . 1 1 31 31 CYS HA H 31 4.050 4.050 4.282 -0.232 25484 171 1 . 1 1 31 31 CYS C C 31 177.170 177.170 174.337 2.833 25484 172 1 . 1 1 31 31 CYS CA C 31 61.880 61.880 60.117 1.763 25484 173 1 . 1 1 31 31 CYS CB C 31 30.010 30.010 28.794 1.216 25484 174 1 . 1 1 31 31 CYS H H 31 7.210 7.210 7.518 -0.308 25484 175 1 . 1 1 32 32 SER N N 32 124.300 124.300 122.590 1.710 25484 176 1 . 1 1 32 32 SER HA H 32 4.609 4.609 4.612 -0.003 25484 177 1 . 1 1 32 32 SER C C 32 175.020 175.020 173.311 1.709 25484 178 1 . 1 1 32 32 SER CA C 32 58.010 58.010 57.400 0.610 25484 179 1 . 1 1 32 32 SER CB C 32 64.120 64.120 62.834 1.286 25484 180 1 . 1 1 32 32 SER H H 32 8.767 8.767 8.400 0.367 25484 181 1 . 1 1 33 33 LEU N N 33 128.860 128.860 127.779 1.081 25484 182 1 . 1 1 33 33 LEU HA H 33 4.538 4.538 4.938 -0.400 25484 183 1 . 1 1 33 33 LEU C C 33 177.230 177.230 174.842 2.388 25484 184 1 . 1 1 33 33 LEU CA C 33 54.450 54.450 51.568 2.882 25484 185 1 . 1 1 33 33 LEU CB C 33 40.970 40.970 42.990 -2.020 25484 186 1 . 1 1 33 33 LEU H H 33 8.546 8.546 7.555 0.991 25484 187 1 . 1 1 34 34 PRO HA H 34 4.370 4.370 4.450 -0.080 25484 188 1 . 1 1 34 34 PRO C C 34 178.640 178.640 178.415 0.225 25484 189 1 . 1 1 34 34 PRO CA C 34 65.530 65.530 65.543 -0.013 25484 190 1 . 1 1 34 34 PRO CB C 34 31.970 31.970 31.859 0.111 25484 191 1 . 1 1 35 35 SER N N 35 111.940 111.940 113.394 -1.454 25484 192 1 . 1 1 35 35 SER HA H 35 4.127 4.127 4.347 -0.220 25484 193 1 . 1 1 35 35 SER C C 35 174.750 174.750 176.307 -1.557 25484 194 1 . 1 1 35 35 SER CA C 35 60.100 60.100 61.097 -0.997 25484 195 1 . 1 1 35 35 SER CB C 35 62.910 62.910 62.711 0.199 25484 196 1 . 1 1 35 35 SER H H 35 8.350 8.350 8.606 -0.256 25484 197 1 . 1 1 36 36 CYS N N 36 125.790 125.790 123.052 2.738 25484 198 1 . 1 1 36 36 CYS HA H 36 4.215 4.215 4.137 0.078 25484 199 1 . 1 1 36 36 CYS C C 36 177.070 177.070 176.250 0.820 25484 200 1 . 1 1 36 36 CYS CA C 36 63.900 63.900 62.148 1.752 25484 201 1 . 1 1 36 36 CYS CB C 36 29.650 29.650 27.188 2.462 25484 202 1 . 1 1 36 36 CYS H H 36 7.490 7.490 8.153 -0.663 25484 203 1 . 1 1 37 37 GLN N N 37 115.860 115.860 119.034 -3.174 25484 204 1 . 1 1 37 37 GLN HA H 37 4.010 4.010 3.821 0.189 25484 205 1 . 1 1 37 37 GLN C C 37 179.690 179.690 178.307 1.383 25484 206 1 . 1 1 37 37 GLN CA C 37 59.980 59.980 59.216 0.764 25484 207 1 . 1 1 37 37 GLN CB C 37 27.820 27.820 28.249 -0.429 25484 208 1 . 1 1 37 37 GLN H H 37 8.170 8.170 8.635 -0.465 25484 209 1 . 1 1 38 38 LYS N N 38 117.470 117.470 119.635 -2.165 25484 210 1 . 1 1 38 38 LYS HA H 38 4.060 4.060 4.002 0.058 25484 211 1 . 1 1 38 38 LYS C C 38 179.230 179.230 179.295 -0.065 25484 212 1 . 1 1 38 38 LYS CA C 38 59.450 59.450 59.271 0.179 25484 213 1 . 1 1 38 38 LYS CB C 38 32.650 32.650 32.208 0.442 25484 214 1 . 1 1 38 38 LYS H H 38 7.920 7.920 7.997 -0.077 25484 215 1 . 1 1 39 39 MET N N 39 118.050 118.050 118.078 -0.028 25484 216 1 . 1 1 39 39 MET HA H 39 4.559 4.559 4.144 0.415 25484 217 1 . 1 1 39 39 MET C C 39 179.720 179.720 178.465 1.255 25484 218 1 . 1 1 39 39 MET CA C 39 57.250 57.250 58.293 -1.043 25484 219 1 . 1 1 39 39 MET CB C 39 32.550 32.550 32.089 0.461 25484 220 1 . 1 1 39 39 MET H H 39 8.370 8.370 7.688 0.682 25484 221 1 . 1 1 40 40 LYS N N 40 121.630 121.630 120.578 1.052 25484 222 1 . 1 1 40 40 LYS HA H 40 3.840 3.840 3.992 -0.152 25484 223 1 . 1 1 40 40 LYS C C 40 180.150 180.150 179.168 0.982 25484 224 1 . 1 1 40 40 LYS CA C 40 61.520 61.520 60.187 1.333 25484 225 1 . 1 1 40 40 LYS CB C 40 32.620 32.620 32.304 0.316 25484 226 1 . 1 1 40 40 LYS H H 40 9.490 9.490 8.516 0.974 25484 227 1 . 1 1 41 41 ARG N N 41 118.300 118.300 117.983 0.317 25484 228 1 . 1 1 41 41 ARG HA H 41 4.180 4.180 4.144 0.036 25484 229 1 . 1 1 41 41 ARG C C 41 180.080 180.080 178.097 1.983 25484 230 1 . 1 1 41 41 ARG CA C 41 59.750 59.750 58.721 1.029 25484 231 1 . 1 1 41 41 ARG CB C 41 30.010 30.010 30.172 -0.162 25484 232 1 . 1 1 41 41 ARG H H 41 7.610 7.610 8.122 -0.512 25484 233 1 . 1 1 42 42 VAL N N 42 121.750 121.750 119.616 2.134 25484 234 1 . 1 1 42 42 VAL HA H 42 3.745 3.745 3.967 -0.222 25484 235 1 . 1 1 42 42 VAL C C 42 178.130 178.130 177.501 0.629 25484 236 1 . 1 1 42 42 VAL CA C 42 66.760 66.760 65.144 1.616 25484 237 1 . 1 1 42 42 VAL CB C 42 31.520 31.520 32.519 -0.999 25484 238 1 . 1 1 42 42 VAL H H 42 7.760 7.760 7.767 -0.007 25484 239 1 . 1 1 43 43 VAL N N 43 120.580 120.580 121.798 -1.218 25484 240 1 . 1 1 43 43 VAL HA H 43 3.531 3.531 3.540 -0.009 25484 241 1 . 1 1 43 43 VAL C C 43 179.310 179.310 178.287 1.023 25484 242 1 . 1 1 43 43 VAL CA C 43 67.120 67.120 67.330 -0.210 25484 243 1 . 1 1 43 43 VAL CB C 43 31.510 31.510 31.298 0.212 25484 244 1 . 1 1 43 43 VAL H H 43 8.500 8.500 8.540 -0.040 25484 245 1 . 1 1 44 44 GLN N N 44 119.280 119.280 116.450 2.830 25484 246 1 . 1 1 44 44 GLN HA H 44 4.010 4.010 4.068 -0.058 25484 247 1 . 1 1 44 44 GLN C C 44 179.330 179.330 178.475 0.855 25484 248 1 . 1 1 44 44 GLN CA C 44 59.060 59.060 58.656 0.404 25484 249 1 . 1 1 44 44 GLN CB C 44 28.030 28.030 28.157 -0.127 25484 250 1 . 1 1 44 44 GLN H H 44 8.400 8.400 8.656 -0.256 25484 251 1 . 1 1 45 45 HIS N N 45 119.160 119.160 120.021 -0.861 25484 252 1 . 1 1 45 45 HIS HA H 45 4.283 4.283 4.321 -0.038 25484 253 1 . 1 1 45 45 HIS C C 45 178.250 178.250 177.299 0.951 25484 254 1 . 1 1 45 45 HIS CA C 45 59.950 59.950 59.938 0.012 25484 255 1 . 1 1 45 45 HIS CB C 45 27.150 27.150 29.943 -2.793 25484 256 1 . 1 1 45 45 HIS H H 45 8.190 8.190 7.857 0.333 25484 257 1 . 1 1 46 46 THR N N 46 111.110 111.110 115.255 -4.145 25484 258 1 . 1 1 46 46 THR HA H 46 3.859 3.859 4.028 -0.169 25484 259 1 . 1 1 46 46 THR C C 46 176.350 176.350 177.228 -0.878 25484 260 1 . 1 1 46 46 THR CA C 46 65.670 65.670 66.538 -0.868 25484 261 1 . 1 1 46 46 THR CB C 46 69.190 69.190 68.831 0.359 25484 262 1 . 1 1 46 46 THR H H 46 7.980 7.980 8.379 -0.399 25484 263 1 . 1 1 47 47 LYS N N 47 120.510 120.510 119.865 0.645 25484 264 1 . 1 1 47 47 LYS HA H 47 4.090 4.090 4.176 -0.086 25484 265 1 . 1 1 47 47 LYS C C 47 178.150 178.150 179.002 -0.852 25484 266 1 . 1 1 47 47 LYS CA C 47 58.750 58.750 58.716 0.034 25484 267 1 . 1 1 47 47 LYS CB C 47 32.360 32.360 32.378 -0.018 25484 268 1 . 1 1 47 47 LYS H H 47 7.410 7.410 7.725 -0.315 25484 269 1 . 1 1 48 48 GLY N N 48 104.210 104.210 105.733 -1.523 25484 270 1 . 1 1 48 48 GLY C C 48 174.220 174.220 174.586 -0.366 25484 271 1 . 1 1 48 48 GLY CA C 48 44.753 44.753 45.295 -0.542 25484 272 1 . 1 1 48 48 GLY H H 48 7.180 7.180 7.914 -0.734 25484 273 1 . 1 1 49 49 CYS N N 49 123.560 123.560 121.110 2.450 25484 274 1 . 1 1 49 49 CYS HA H 49 4.010 4.010 4.469 -0.459 25484 275 1 . 1 1 49 49 CYS C C 49 177.230 177.230 174.422 2.808 25484 276 1 . 1 1 49 49 CYS CA C 49 61.230 61.230 57.916 3.314 25484 277 1 . 1 1 49 49 CYS CB C 49 29.850 29.850 27.183 2.667 25484 278 1 . 1 1 49 49 CYS H H 49 6.981 6.981 7.757 -0.776 25484 279 1 . 1 1 50 50 LYS N N 50 128.350 128.350 122.655 5.695 25484 280 1 . 1 1 50 50 LYS HA H 50 4.524 4.524 4.156 0.368 25484 281 1 . 1 1 50 50 LYS C C 50 178.040 178.040 177.483 0.557 25484 282 1 . 1 1 50 50 LYS CA C 50 56.750 56.750 57.724 -0.974 25484 283 1 . 1 1 50 50 LYS CB C 50 32.950 32.950 32.231 0.719 25484 284 1 . 1 1 50 50 LYS H H 50 8.999 8.999 8.184 0.815 25484 285 1 . 1 1 51 51 ARG N N 51 122.550 122.550 118.406 4.144 25484 286 1 . 1 1 51 51 ARG HA H 51 4.428 4.428 4.142 0.286 25484 287 1 . 1 1 51 51 ARG C C 51 177.410 177.410 178.181 -0.771 25484 288 1 . 1 1 51 51 ARG CA C 51 57.750 57.750 57.292 0.458 25484 289 1 . 1 1 51 51 ARG CB C 51 31.860 31.860 28.994 2.866 25484 290 1 . 1 1 51 51 ARG H H 51 8.558 8.558 8.380 0.178 25484 291 1 . 1 1 52 52 LYS N N 52 119.040 119.040 119.997 -0.957 25484 292 1 . 1 1 52 52 LYS HA H 52 4.534 4.534 4.059 0.475 25484 293 1 . 1 1 52 52 LYS C C 52 177.610 177.610 178.547 -0.937 25484 294 1 . 1 1 52 52 LYS CA C 52 57.970 57.970 59.971 -2.001 25484 295 1 . 1 1 52 52 LYS CB C 52 32.350 32.350 31.891 0.459 25484 296 1 . 1 1 52 52 LYS H H 52 8.490 8.490 8.237 0.253 25484 297 1 . 1 1 53 53 THR N N 53 113.034 113.034 108.362 4.672 25484 298 1 . 1 1 53 53 THR HA H 53 4.160 4.160 4.272 -0.112 25484 299 1 . 1 1 53 53 THR C C 53 175.610 175.610 176.266 -0.656 25484 300 1 . 1 1 53 53 THR CA C 53 64.050 64.050 63.948 0.102 25484 301 1 . 1 1 53 53 THR CB C 53 69.120 69.120 68.681 0.439 25484 302 1 . 1 1 53 53 THR H H 53 7.760 7.760 8.148 -0.388 25484 303 1 . 1 1 54 54 ASN N N 54 119.860 119.860 120.888 -1.028 25484 304 1 . 1 1 54 54 ASN HA H 54 4.920 4.920 4.556 0.364 25484 305 1 . 1 1 54 54 ASN C C 54 176.330 176.330 176.597 -0.267 25484 306 1 . 1 1 54 54 ASN CA C 54 53.720 53.720 55.337 -1.617 25484 307 1 . 1 1 54 54 ASN CB C 54 38.350 38.350 38.786 -0.436 25484 308 1 . 1 1 54 54 ASN H H 54 8.290 8.290 7.896 0.394 25484 309 1 . 1 1 55 55 GLY N N 55 107.570 107.570 104.222 3.348 25484 310 1 . 1 1 55 55 GLY C C 55 175.660 175.660 174.533 1.127 25484 311 1 . 1 1 55 55 GLY CA C 55 45.938 45.938 44.464 1.474 25484 312 1 . 1 1 55 55 GLY H H 55 8.006 8.006 7.773 0.233 25484 313 1 . 1 1 56 56 GLY N N 56 107.290 107.290 108.627 -1.337 25484 314 1 . 1 1 56 56 GLY C C 56 173.710 173.710 174.556 -0.846 25484 315 1 . 1 1 56 56 GLY CA C 56 45.570 45.570 45.277 0.293 25484 316 1 . 1 1 56 56 GLY H H 56 7.840 7.840 7.628 0.212 25484 317 1 . 1 1 57 57 CYS N N 57 122.730 122.730 120.772 1.958 25484 318 1 . 1 1 57 57 CYS HA H 57 4.505 4.505 4.844 -0.339 25484 319 1 . 1 1 57 57 CYS C C 57 175.090 175.090 173.424 1.666 25484 320 1 . 1 1 57 57 CYS CA C 57 55.950 55.950 55.594 0.356 25484 321 1 . 1 1 57 57 CYS CB C 57 30.760 30.760 28.384 2.376 25484 322 1 . 1 1 57 57 CYS H H 57 8.048 8.048 7.923 0.125 25484 323 1 . 1 1 58 58 PRO HA H 58 4.338 4.338 4.680 -0.342 25484 324 1 . 1 1 58 58 PRO CA C 58 65.050 65.050 62.757 2.293 25484 325 1 . 1 1 58 58 PRO CB C 58 32.620 32.620 30.835 1.785 25484 326 1 . 1 1 59 59 ILE N N 59 121.256 121.256 122.710 -1.454 25484 327 1 . 1 1 59 59 ILE HA H 59 3.818 3.818 4.127 -0.309 25484 328 1 . 1 1 59 59 ILE C C 59 178.820 178.820 176.385 2.435 25484 329 1 . 1 1 59 59 ILE CA C 59 64.590 64.590 63.110 1.480 25484 330 1 . 1 1 59 59 ILE CB C 59 38.890 38.890 39.019 -0.129 25484 331 1 . 1 1 59 59 ILE H H 59 7.900 7.900 8.759 -0.859 25484 332 1 . 1 1 60 60 CYS N N 60 123.970 123.970 119.067 4.903 25484 333 1 . 1 1 60 60 CYS HA H 60 4.117 4.117 4.156 -0.039 25484 334 1 . 1 1 60 60 CYS C C 60 178.110 178.110 176.755 1.355 25484 335 1 . 1 1 60 60 CYS CA C 60 66.090 66.090 62.639 3.451 25484 336 1 . 1 1 60 60 CYS CB C 60 29.150 29.150 26.953 2.197 25484 337 1 . 1 1 60 60 CYS H H 60 8.914 8.914 8.353 0.561 25484 338 1 . 1 1 61 61 LYS N N 61 117.210 117.210 120.152 -2.942 25484 339 1 . 1 1 61 61 LYS HA H 61 3.910 3.910 4.033 -0.123 25484 340 1 . 1 1 61 61 LYS C C 61 179.460 179.460 178.263 1.197 25484 341 1 . 1 1 61 61 LYS CA C 61 59.970 59.970 59.664 0.306 25484 342 1 . 1 1 61 61 LYS CB C 61 32.650 32.650 32.402 0.248 25484 343 1 . 1 1 61 61 LYS H H 61 8.090 8.090 8.245 -0.155 25484 344 1 . 1 1 62 62 GLN N N 62 117.780 117.780 118.525 -0.745 25484 345 1 . 1 1 62 62 GLN HA H 62 4.203 4.203 4.150 0.053 25484 346 1 . 1 1 62 62 GLN C C 62 178.564 178.564 178.641 -0.077 25484 347 1 . 1 1 62 62 GLN CA C 62 58.450 58.450 58.208 0.242 25484 348 1 . 1 1 62 62 GLN CB C 62 29.140 29.140 28.815 0.324 25484 349 1 . 1 1 62 62 GLN H H 62 7.360 7.360 7.654 -0.294 25484 350 1 . 1 1 63 63 LEU N N 63 119.930 119.930 123.193 -3.263 25484 351 1 . 1 1 63 63 LEU HA H 63 4.218 4.218 4.128 0.090 25484 352 1 . 1 1 63 63 LEU C C 63 179.440 179.440 177.817 1.623 25484 353 1 . 1 1 63 63 LEU CA C 63 58.550 58.550 57.620 0.930 25484 354 1 . 1 1 63 63 LEU CB C 63 41.910 41.910 41.782 0.128 25484 355 1 . 1 1 63 63 LEU H H 63 8.075 8.075 8.638 -0.563 25484 356 1 . 1 1 64 64 ILE N N 64 120.280 120.280 120.168 0.112 25484 357 1 . 1 1 64 64 ILE HA H 64 3.600 3.600 3.631 -0.031 25484 358 1 . 1 1 64 64 ILE C C 64 177.950 177.950 177.908 0.042 25484 359 1 . 1 1 64 64 ILE CA C 64 65.250 65.250 65.694 -0.444 25484 360 1 . 1 1 64 64 ILE CB C 64 37.320 37.320 37.361 -0.041 25484 361 1 . 1 1 64 64 ILE H H 64 8.466 8.466 8.672 -0.206 25484 362 1 . 1 1 65 65 ALA N N 65 122.590 122.590 122.084 0.506 25484 363 1 . 1 1 65 65 ALA HA H 65 4.185 4.185 3.578 0.607 25484 364 1 . 1 1 65 65 ALA C C 65 181.010 181.010 179.263 1.747 25484 365 1 . 1 1 65 65 ALA CA C 65 55.220 55.220 55.162 0.058 25484 366 1 . 1 1 65 65 ALA CB C 65 18.450 18.450 18.042 0.408 25484 367 1 . 1 1 65 65 ALA H H 65 7.496 7.496 8.203 -0.707 25484 368 1 . 1 1 66 66 LEU N N 66 115.599 115.599 120.557 -4.958 25484 369 1 . 1 1 66 66 LEU HA H 66 4.100 4.100 4.063 0.037 25484 370 1 . 1 1 66 66 LEU C C 66 179.380 179.380 179.007 0.373 25484 371 1 . 1 1 66 66 LEU CA C 66 57.930 57.930 57.768 0.162 25484 372 1 . 1 1 66 66 LEU CB C 66 41.410 41.410 41.602 -0.192 25484 373 1 . 1 1 66 66 LEU H H 66 8.139 8.139 7.941 0.198 25484 374 1 . 1 1 67 67 ALA N N 67 122.670 122.670 120.918 1.752 25484 375 1 . 1 1 67 67 ALA HA H 67 3.958 3.958 3.981 -0.023 25484 376 1 . 1 1 67 67 ALA C C 67 180.060 180.060 179.518 0.542 25484 377 1 . 1 1 67 67 ALA CA C 67 55.750 55.750 55.298 0.452 25484 378 1 . 1 1 67 67 ALA CB C 67 19.220 19.220 18.261 0.959 25484 379 1 . 1 1 67 67 ALA H H 67 8.770 8.770 8.943 -0.173 25484 380 1 . 1 1 68 68 ALA N N 68 120.580 120.580 121.884 -1.304 25484 381 1 . 1 1 68 68 ALA HA H 68 4.142 4.142 4.353 -0.211 25484 382 1 . 1 1 68 68 ALA C C 68 179.540 179.540 179.707 -0.167 25484 383 1 . 1 1 68 68 ALA CA C 68 55.450 55.450 54.817 0.632 25484 384 1 . 1 1 68 68 ALA CB C 68 18.220 18.220 18.780 -0.560 25484 385 1 . 1 1 68 68 ALA H H 68 8.604 8.604 8.488 0.116 25484 386 1 . 1 1 69 69 TYR HA H 69 4.345 4.345 4.331 0.014 25484 387 1 . 1 1 69 69 TYR CA C 69 57.750 57.750 59.312 -1.562 25484 388 1 . 1 1 69 69 TYR CB C 69 38.580 38.580 37.335 1.245 25484 389 1 . 1 1 71 71 ALA HA H 71 4.000 4.000 3.874 0.126 25484 390 1 . 1 1 71 71 ALA C C 71 179.540 179.540 179.491 0.049 25484 391 1 . 1 1 71 71 ALA CA C 71 54.850 54.850 55.176 -0.326 25484 392 1 . 1 1 71 71 ALA CB C 71 19.650 19.650 18.235 1.414 25484 393 1 . 1 1 72 72 LYS N N 72 114.680 114.680 116.307 -1.627 25484 394 1 . 1 1 72 72 LYS HA H 72 3.904 3.904 4.003 -0.099 25484 395 1 . 1 1 72 72 LYS C C 72 177.120 177.120 178.151 -1.031 25484 396 1 . 1 1 72 72 LYS CA C 72 58.230 58.230 59.130 -0.900 25484 397 1 . 1 1 72 72 LYS CB C 72 32.340 32.340 32.610 -0.270 25484 398 1 . 1 1 72 72 LYS H H 72 7.080 7.080 8.208 -1.128 25484 399 1 . 1 1 73 73 HIS N N 73 113.498 113.498 114.789 -1.291 25484 400 1 . 1 1 73 73 HIS HA H 73 4.826 4.826 4.637 0.189 25484 401 1 . 1 1 73 73 HIS C C 73 173.660 173.660 174.969 -1.309 25484 402 1 . 1 1 73 73 HIS CA C 73 54.380 54.380 56.086 -1.705 25484 403 1 . 1 1 73 73 HIS CB C 73 30.350 30.350 31.214 -0.864 25484 404 1 . 1 1 73 73 HIS H H 73 7.250 7.250 7.795 -0.545 25484 405 1 . 1 1 74 74 CYS N N 74 123.830 123.830 121.221 2.609 25484 406 1 . 1 1 74 74 CYS HA H 74 4.150 4.150 4.287 -0.137 25484 407 1 . 1 1 74 74 CYS C C 74 176.480 176.480 173.967 2.513 25484 408 1 . 1 1 74 74 CYS CA C 74 60.250 60.250 58.561 1.689 25484 409 1 . 1 1 74 74 CYS CB C 74 29.930 29.930 27.400 2.530 25484 410 1 . 1 1 74 74 CYS H H 74 7.140 7.140 8.052 -0.912 25484 411 1 . 1 1 75 75 GLN N N 75 128.740 128.740 126.742 1.998 25484 412 1 . 1 1 75 75 GLN HA H 75 4.685 4.685 4.360 0.325 25484 413 1 . 1 1 75 75 GLN C C 75 176.090 176.090 174.873 1.217 25484 414 1 . 1 1 75 75 GLN CA C 75 54.900 54.900 55.297 -0.397 25484 415 1 . 1 1 75 75 GLN CB C 75 29.840 29.840 27.848 1.992 25484 416 1 . 1 1 75 75 GLN H H 75 9.088 9.088 8.510 0.578 25484 417 1 . 1 1 76 76 GLU N N 76 123.190 123.190 123.589 -0.399 25484 418 1 . 1 1 76 76 GLU HA H 76 4.480 4.480 4.477 0.003 25484 419 1 . 1 1 76 76 GLU C C 76 177.030 177.030 174.626 2.404 25484 420 1 . 1 1 76 76 GLU CA C 76 56.210 56.210 55.887 0.323 25484 421 1 . 1 1 76 76 GLU CB C 76 30.660 30.660 32.395 -1.735 25484 422 1 . 1 1 76 76 GLU H H 76 8.390 8.390 7.949 0.441 25484 423 1 . 1 1 77 77 ASN N N 77 124.760 124.760 121.517 3.243 25484 424 1 . 1 1 77 77 ASN HA H 77 4.549 4.549 4.811 -0.262 25484 425 1 . 1 1 77 77 ASN C C 77 176.070 176.070 175.248 0.822 25484 426 1 . 1 1 77 77 ASN CA C 77 55.100 55.100 52.843 2.257 25484 427 1 . 1 1 77 77 ASN CB C 77 38.650 38.650 39.162 -0.512 25484 428 1 . 1 1 77 77 ASN H H 77 8.848 8.848 8.696 0.152 25484 429 1 . 1 1 78 78 LYS N N 78 120.810 120.810 120.583 0.227 25484 430 1 . 1 1 78 78 LYS HA H 78 4.460 4.460 4.240 0.220 25484 431 1 . 1 1 78 78 LYS C C 78 175.230 175.230 175.903 -0.673 25484 432 1 . 1 1 78 78 LYS CA C 78 54.920 54.920 57.322 -2.402 25484 433 1 . 1 1 78 78 LYS CB C 78 31.020 31.020 32.993 -1.973 25484 434 1 . 1 1 78 78 LYS H H 78 8.636 8.636 7.983 0.653 25484 435 1 . 1 1 80 80 PRO HA H 80 4.710 4.710 4.450 0.260 25484 436 1 . 1 1 80 80 PRO CA C 80 62.850 62.850 63.573 -0.723 25484 437 1 . 1 1 80 80 PRO CB C 80 32.150 32.150 32.447 -0.297 25484 438 1 . 1 1 81 81 VAL HA H 81 3.578 3.578 4.286 -0.708 25484 439 1 . 1 1 81 81 VAL CA C 81 62.350 62.350 58.606 3.744 25484 440 1 . 1 1 81 81 VAL CB C 81 31.616 31.616 32.253 -0.637 25484 441 1 . 1 1 82 82 PRO HA H 82 4.850 4.850 3.945 0.905 25484 442 1 . 1 1 82 82 PRO CA C 82 63.350 63.350 62.435 0.915 25484 443 1 . 1 1 82 82 PRO CB C 82 32.050 32.050 32.125 -0.075 25484 444 1 . 1 1 83 83 PHE HA H 83 4.160 4.160 4.289 -0.129 25484 445 1 . 1 1 83 83 PHE CA C 83 58.950 58.950 59.228 -0.278 25484 446 1 . 1 1 83 83 PHE CB C 83 38.250 38.250 36.400 1.850 25484 447 1 . 1 1 84 84 CYS HA H 84 4.597 4.597 4.826 -0.229 25484 448 1 . 1 1 84 84 CYS CA C 84 56.750 56.750 56.035 0.715 25484 449 1 . 1 1 84 84 CYS CB C 84 30.150 30.150 30.252 -0.102 25484 450 1 . 1 1 85 85 LEU N N 85 119.930 119.930 121.064 -1.134 25484 451 1 . 1 1 85 85 LEU HA H 85 3.958 3.958 4.125 -0.167 25484 452 1 . 1 1 85 85 LEU CA C 85 59.350 59.350 57.015 2.335 25484 453 1 . 1 1 85 85 LEU CB C 85 38.180 38.180 39.371 -1.191 25484 454 1 . 1 1 85 85 LEU H H 85 8.220 8.220 8.572 -0.352 25484 455 1 . 1 1 86 86 ASN N N 86 115.750 115.750 116.661 -0.911 25484 456 1 . 1 1 86 86 ASN HA H 86 4.580 4.580 4.728 -0.148 25484 457 1 . 1 1 86 86 ASN CA C 86 51.860 51.860 54.293 -2.433 25484 458 1 . 1 1 86 86 ASN CB C 86 38.610 38.610 39.956 -1.346 25484 459 1 . 1 1 86 86 ASN H H 86 7.789 7.789 8.240 -0.451 25484 460 1 . 1 1 87 87 ILE N N 87 123.260 123.260 119.680 3.580 25484 461 1 . 1 1 87 87 ILE HA H 87 4.220 4.220 3.999 0.221 25484 462 1 . 1 1 87 87 ILE CA C 87 61.850 61.850 62.210 -0.360 25484 463 1 . 1 1 87 87 ILE CB C 87 41.330 41.330 38.337 2.994 25484 464 1 . 1 1 87 87 ILE H H 87 7.160 7.160 8.450 -1.290 25484 465 1 . 1 1 88 88 LYS HA H 88 4.450 4.450 4.445 0.005 25484 466 1 . 1 1 88 88 LYS CA C 88 54.530 54.530 55.312 -0.782 25484 467 1 . 1 1 88 88 LYS CB C 88 31.450 31.450 31.730 -0.280 25484 468 1 . 1 1 89 89 GLN HA H 89 4.450 4.450 4.517 -0.067 25484 469 1 . 1 1 89 89 GLN CA C 89 56.210 56.210 55.278 0.932 25484 470 1 . 1 1 89 89 GLN CB C 89 29.250 29.250 29.402 -0.152 25484 stop_ save_