data_25452 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25452 _Entry.PDB_ID 2MYH 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 25452 _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 ALA HA H 2 4.738 4.738 4.533 0.205 25452 2 1 1 . 1 1 2 2 ALA CA C 2 51.709 51.709 52.146 -0.437 25452 3 1 1 . 1 1 2 2 ALA CB C 2 21.586 21.586 20.450 1.136 25452 4 1 1 . 1 1 2 2 ALA H H 2 9.549 9.549 8.513 1.036 25452 5 1 1 . 1 1 3 3 SER HA H 3 4.413 4.413 4.389 0.024 25452 6 1 1 . 1 1 3 3 SER CA C 3 58.103 58.103 56.725 1.378 25452 7 1 1 . 1 1 3 3 SER CB C 3 64.407 64.407 64.250 0.157 25452 8 1 1 . 1 1 3 3 SER H H 3 9.174 9.174 8.489 0.685 25452 9 1 1 . 1 1 4 4 LYS HA H 4 3.751 3.751 4.030 -0.279 25452 10 1 1 . 1 1 4 4 LYS CA C 4 59.020 59.020 58.345 0.675 25452 11 1 1 . 1 1 4 4 LYS H H 4 8.275 8.275 8.411 -0.136 25452 12 1 1 . 1 1 5 5 ASN HA H 5 4.366 4.366 4.442 -0.076 25452 13 1 1 . 1 1 5 5 ASN CA C 5 55.761 55.761 54.752 1.009 25452 14 1 1 . 1 1 5 5 ASN CB C 5 38.046 38.046 37.427 0.619 25452 15 1 1 . 1 1 5 5 ASN H H 5 9.046 9.046 8.931 0.115 25452 16 1 1 . 1 1 6 6 GLU HA H 6 4.461 4.461 4.457 0.004 25452 17 1 1 . 1 1 6 6 GLU CA C 6 55.983 55.983 55.306 0.677 25452 18 1 1 . 1 1 6 6 GLU CB C 6 31.173 31.173 31.872 -0.699 25452 19 1 1 . 1 1 6 6 GLU H H 6 8.024 8.024 7.556 0.468 25452 20 1 1 . 1 1 7 7 ARG HA H 7 4.641 4.641 4.711 -0.070 25452 21 1 1 . 1 1 7 7 ARG CA C 7 57.262 57.262 55.987 1.275 25452 22 1 1 . 1 1 7 7 ARG CB C 7 30.703 30.703 29.270 1.433 25452 23 1 1 . 1 1 7 7 ARG H H 7 8.466 8.466 8.374 0.092 25452 24 1 1 . 1 1 8 8 CYS HA H 8 5.089 5.089 4.899 0.190 25452 25 1 1 . 1 1 8 8 CYS CA C 8 52.465 52.465 56.217 -3.752 25452 26 1 1 . 1 1 8 8 CYS CB C 8 48.107 48.107 30.709 17.398 25452 27 1 1 . 1 1 8 8 CYS H H 8 7.408 7.408 8.308 -0.900 25452 28 1 1 . 1 1 9 9 GLY CA C 9 43.986 43.986 43.972 0.014 25452 29 1 1 . 1 1 9 9 GLY H H 9 8.194 8.194 8.739 -0.545 25452 30 1 1 . 1 1 10 10 ASN HA H 10 4.715 4.715 4.930 -0.215 25452 31 1 1 . 1 1 10 10 ASN CA C 10 52.895 52.895 53.008 -0.113 25452 32 1 1 . 1 1 10 10 ASN CB C 10 42.114 42.114 41.451 0.663 25452 33 1 1 . 1 1 10 10 ASN H H 10 8.083 8.083 8.229 -0.146 25452 34 1 1 . 1 1 11 11 ALA HA H 11 4.194 4.194 4.183 0.011 25452 35 1 1 . 1 1 11 11 ALA CA C 11 55.288 55.288 54.702 0.586 25452 36 1 1 . 1 1 11 11 ALA CB C 11 18.639 18.639 19.058 -0.419 25452 37 1 1 . 1 1 11 11 ALA H H 11 9.249 9.249 8.946 0.303 25452 38 1 1 . 1 1 12 12 LEU HA H 12 4.092 4.092 4.017 0.075 25452 39 1 1 . 1 1 12 12 LEU CA C 12 57.320 57.320 57.278 0.042 25452 40 1 1 . 1 1 12 12 LEU CB C 12 41.383 41.383 42.021 -0.638 25452 41 1 1 . 1 1 12 12 LEU H H 12 8.145 8.145 8.652 -0.507 25452 42 1 1 . 1 1 13 13 TYR HA H 13 4.515 4.515 4.626 -0.111 25452 43 1 1 . 1 1 13 13 TYR CA C 13 57.712 57.712 57.535 0.177 25452 44 1 1 . 1 1 13 13 TYR CB C 13 39.718 39.718 38.018 1.700 25452 45 1 1 . 1 1 13 13 TYR H H 13 7.616 7.616 7.701 -0.085 25452 46 1 1 . 1 1 14 14 GLY CA C 14 46.708 46.708 46.141 0.568 25452 47 1 1 . 1 1 14 14 GLY H H 14 7.825 7.825 7.975 -0.150 25452 48 1 1 . 1 1 15 15 THR HA H 15 4.690 4.690 4.525 0.165 25452 49 1 1 . 1 1 15 15 THR CA C 15 60.074 60.074 60.930 -0.856 25452 50 1 1 . 1 1 15 15 THR CB C 15 71.665 71.665 70.578 1.087 25452 51 1 1 . 1 1 15 15 THR H H 15 7.618 7.618 7.970 -0.352 25452 52 1 1 . 1 1 16 16 LYS HA H 16 4.556 4.556 4.515 0.041 25452 53 1 1 . 1 1 16 16 LYS CA C 16 54.782 54.782 56.020 -1.238 25452 54 1 1 . 1 1 16 16 LYS CB C 16 34.305 34.305 32.503 1.802 25452 55 1 1 . 1 1 16 16 LYS H H 16 8.873 8.873 8.816 0.057 25452 56 1 1 . 1 1 17 17 GLY CA C 17 44.600 44.600 44.599 0.001 25452 57 1 1 . 1 1 17 17 GLY H H 17 8.283 8.283 8.255 0.028 25452 58 1 1 . 1 1 18 18 PRO HA H 18 4.579 4.579 4.523 0.056 25452 59 1 1 . 1 1 18 18 PRO CA C 18 62.799 62.799 62.637 0.162 25452 60 1 1 . 1 1 18 18 PRO CB C 18 33.234 33.234 33.051 0.183 25452 61 1 1 . 1 1 19 19 GLY CA C 19 43.985 43.985 43.474 0.511 25452 62 1 1 . 1 1 19 19 GLY H H 19 8.535 8.535 8.408 0.127 25452 63 1 1 . 1 1 20 20 CYS HA H 20 4.982 4.982 4.506 0.476 25452 64 1 1 . 1 1 20 20 CYS CA C 20 55.904 55.904 59.884 -3.980 25452 65 1 1 . 1 1 20 20 CYS CB C 20 39.643 39.643 25.502 14.141 25452 66 1 1 . 1 1 20 20 CYS H H 20 9.178 9.178 8.763 0.415 25452 67 1 1 . 1 1 21 21 CYS HA H 21 4.434 4.434 4.138 0.296 25452 68 1 1 . 1 1 21 21 CYS CA C 21 56.857 56.857 61.466 -4.609 25452 69 1 1 . 1 1 21 21 CYS CB C 21 39.151 39.151 27.575 11.576 25452 70 1 1 . 1 1 21 21 CYS H H 21 9.959 9.959 8.854 1.105 25452 71 1 1 . 1 1 22 22 ASN HA H 22 4.831 4.831 4.856 -0.025 25452 72 1 1 . 1 1 22 22 ASN CA C 22 52.786 52.786 53.376 -0.590 25452 73 1 1 . 1 1 22 22 ASN CB C 22 41.225 41.225 39.879 1.346 25452 74 1 1 . 1 1 22 22 ASN H H 22 8.699 8.699 8.344 0.355 25452 75 1 1 . 1 1 23 23 GLY CA C 23 45.394 45.394 45.641 -0.247 25452 76 1 1 . 1 1 23 23 GLY H H 23 8.394 8.394 8.290 0.104 25452 77 1 1 . 1 1 24 24 LYS HA H 24 4.488 4.488 4.640 -0.152 25452 78 1 1 . 1 1 24 24 LYS CA C 24 55.015 55.015 55.978 -0.963 25452 79 1 1 . 1 1 24 24 LYS CB C 24 35.233 35.233 36.217 -0.984 25452 80 1 1 . 1 1 24 24 LYS H H 24 8.189 8.189 8.180 0.009 25452 81 1 1 . 1 1 25 25 CYS HA H 25 4.701 4.701 4.560 0.141 25452 82 1 1 . 1 1 25 25 CYS CA C 25 55.336 55.336 59.084 -3.748 25452 83 1 1 . 1 1 25 25 CYS CB C 25 38.089 38.089 27.624 10.465 25452 84 1 1 . 1 1 25 25 CYS H H 25 8.928 8.928 8.630 0.298 25452 85 1 1 . 1 1 26 26 ILE HA H 26 4.249 4.249 4.282 -0.033 25452 86 1 1 . 1 1 26 26 ILE CA C 26 60.017 60.017 59.177 0.840 25452 87 1 1 . 1 1 26 26 ILE CB C 26 38.295 38.295 38.632 -0.337 25452 88 1 1 . 1 1 26 26 ILE H H 26 8.272 8.272 8.845 -0.573 25452 89 1 1 . 1 1 27 27 CYS HA H 27 5.292 5.292 4.400 0.892 25452 90 1 1 . 1 1 27 27 CYS CA C 27 54.607 54.607 58.538 -3.932 25452 91 1 1 . 1 1 27 27 CYS CB C 27 46.328 46.328 26.411 19.917 25452 92 1 1 . 1 1 27 27 CYS H H 27 8.782 8.782 8.656 0.126 25452 93 1 1 . 1 1 28 28 ARG HA H 28 4.566 4.566 4.641 -0.075 25452 94 1 1 . 1 1 28 28 ARG CA C 28 55.129 55.129 54.744 0.385 25452 95 1 1 . 1 1 28 28 ARG CB C 28 32.925 32.925 34.437 -1.512 25452 96 1 1 . 1 1 28 28 ARG H H 28 8.644 8.644 8.423 0.221 25452 97 1 1 . 1 1 29 29 THR HA H 29 4.573 4.573 5.291 -0.718 25452 98 1 1 . 1 1 29 29 THR CA C 29 62.315 62.315 61.312 1.003 25452 99 1 1 . 1 1 29 29 THR CB C 29 69.965 69.965 70.443 -0.478 25452 100 1 1 . 1 1 29 29 THR H H 29 8.551 8.551 8.412 0.139 25452 101 1 1 . 1 1 30 30 VAL HA H 30 4.444 4.444 4.574 -0.130 25452 102 1 1 . 1 1 30 30 VAL CA C 30 60.186 60.186 58.978 1.208 25452 103 1 1 . 1 1 30 30 VAL CB C 30 32.749 32.749 35.619 -2.870 25452 104 1 1 . 1 1 30 30 VAL H H 30 8.578 8.578 8.445 0.133 25452 105 1 1 . 1 1 31 31 PRO HA H 31 4.351 4.351 4.311 0.040 25452 106 1 1 . 1 1 31 31 PRO CA C 31 64.468 64.468 64.695 -0.227 25452 107 1 1 . 1 1 31 31 PRO CB C 31 32.294 32.294 31.699 0.595 25452 108 1 1 . 1 1 32 32 ARG HA H 32 4.135 4.135 4.235 -0.100 25452 109 1 1 . 1 1 32 32 ARG CA C 32 57.993 57.993 56.223 1.770 25452 110 1 1 . 1 1 32 32 ARG CB C 32 29.785 29.785 28.510 1.275 25452 111 1 1 . 1 1 32 32 ARG H H 32 8.658 8.658 8.076 0.582 25452 112 1 1 . 1 1 33 33 LYS HA H 33 4.395 4.395 4.029 0.366 25452 113 1 1 . 1 1 33 33 LYS CA C 33 56.622 56.622 57.135 -0.513 25452 114 1 1 . 1 1 33 33 LYS CB C 33 33.815 33.815 29.981 3.834 25452 115 1 1 . 1 1 33 33 LYS H H 33 8.200 8.200 8.651 -0.451 25452 116 1 1 . 1 1 34 34 GLY CA C 34 46.119 46.119 44.936 1.183 25452 117 1 1 . 1 1 34 34 GLY H H 34 8.501 8.501 8.046 0.455 25452 118 1 1 . 1 1 35 35 VAL HA H 35 4.417 4.417 3.987 0.430 25452 119 1 1 . 1 1 35 35 VAL CA C 35 60.474 60.474 61.778 -1.304 25452 120 1 1 . 1 1 35 35 VAL CB C 35 34.629 34.629 31.296 3.333 25452 121 1 1 . 1 1 35 35 VAL H H 35 7.317 7.317 7.998 -0.681 25452 122 1 1 . 1 1 36 36 ASN HA H 36 5.145 5.145 4.478 0.667 25452 123 1 1 . 1 1 36 36 ASN CA C 36 53.013 53.013 54.187 -1.174 25452 124 1 1 . 1 1 36 36 ASN CB C 36 40.500 40.500 36.562 3.938 25452 125 1 1 . 1 1 36 36 ASN H H 36 8.789 8.789 8.262 0.527 25452 126 1 1 . 1 1 37 37 SER HA H 37 4.656 4.656 4.574 0.082 25452 127 1 1 . 1 1 37 37 SER CA C 37 57.429 57.429 58.111 -0.681 25452 128 1 1 . 1 1 37 37 SER CB C 37 64.251 64.251 63.579 0.672 25452 129 1 1 . 1 1 37 37 SER H H 37 8.774 8.774 8.026 0.748 25452 130 1 1 . 1 1 38 38 CYS HA H 38 5.566 5.566 4.911 0.655 25452 131 1 1 . 1 1 38 38 CYS CA C 38 55.624 55.624 57.828 -2.204 25452 132 1 1 . 1 1 38 38 CYS CB C 38 48.350 48.350 27.242 21.108 25452 133 1 1 . 1 1 38 38 CYS H H 38 8.973 8.973 8.648 0.325 25452 134 1 1 . 1 1 39 39 ARG HA H 39 5.120 5.120 5.123 -0.003 25452 135 1 1 . 1 1 39 39 ARG CA C 39 54.635 54.635 52.281 2.354 25452 136 1 1 . 1 1 39 39 ARG CB C 39 36.013 36.013 32.306 3.708 25452 137 1 1 . 1 1 39 39 ARG H H 39 8.787 8.787 8.557 0.230 25452 138 1 1 . 1 1 40 40 CYS HA H 40 4.925 4.925 4.584 0.341 25452 139 1 1 . 1 1 40 40 CYS CA C 40 56.037 56.037 60.673 -4.636 25452 140 1 1 . 1 1 40 40 CYS CB C 40 39.651 39.651 25.758 13.893 25452 141 1 1 . 1 1 40 40 CYS H H 40 8.580 8.580 8.685 -0.105 25452 142 1 2 . 1 1 2 2 ALA HA H 2 4.738 4.738 4.581 0.157 25452 143 1 2 . 1 1 2 2 ALA CA C 2 51.709 51.709 51.768 -0.059 25452 144 1 2 . 1 1 2 2 ALA CB C 2 21.586 21.586 20.094 1.492 25452 145 1 2 . 1 1 2 2 ALA H H 2 9.549 9.549 8.569 0.980 25452 146 1 2 . 1 1 3 3 SER HA H 3 4.413 4.413 4.359 0.054 25452 147 1 2 . 1 1 3 3 SER CA C 3 58.103 58.103 57.106 0.997 25452 148 1 2 . 1 1 3 3 SER CB C 3 64.407 64.407 64.584 -0.177 25452 149 1 2 . 1 1 3 3 SER H H 3 9.174 9.174 8.471 0.703 25452 150 1 2 . 1 1 4 4 LYS HA H 4 3.751 3.751 4.057 -0.306 25452 151 1 2 . 1 1 4 4 LYS CA C 4 59.020 59.020 58.054 0.966 25452 152 1 2 . 1 1 4 4 LYS H H 4 8.275 8.275 8.443 -0.168 25452 153 1 2 . 1 1 5 5 ASN HA H 5 4.366 4.366 4.389 -0.023 25452 154 1 2 . 1 1 5 5 ASN CA C 5 55.761 55.761 54.627 1.134 25452 155 1 2 . 1 1 5 5 ASN CB C 5 38.046 38.046 37.796 0.250 25452 156 1 2 . 1 1 5 5 ASN H H 5 9.046 9.046 8.772 0.274 25452 157 1 2 . 1 1 6 6 GLU HA H 6 4.461 4.461 4.352 0.109 25452 158 1 2 . 1 1 6 6 GLU CA C 6 55.983 55.983 55.522 0.461 25452 159 1 2 . 1 1 6 6 GLU CB C 6 31.173 31.173 31.337 -0.164 25452 160 1 2 . 1 1 6 6 GLU H H 6 8.024 8.024 7.647 0.377 25452 161 1 2 . 1 1 7 7 ARG HA H 7 4.641 4.641 4.419 0.222 25452 162 1 2 . 1 1 7 7 ARG CA C 7 57.262 57.262 56.648 0.615 25452 163 1 2 . 1 1 7 7 ARG CB C 7 30.703 30.703 29.841 0.862 25452 164 1 2 . 1 1 7 7 ARG H H 7 8.466 8.466 8.439 0.027 25452 165 1 2 . 1 1 8 8 CYS HA H 8 5.089 5.089 5.362 -0.273 25452 166 1 2 . 1 1 8 8 CYS CA C 8 52.465 52.465 55.774 -3.309 25452 167 1 2 . 1 1 8 8 CYS CB C 8 48.107 48.107 31.030 17.077 25452 168 1 2 . 1 1 8 8 CYS H H 8 7.408 7.408 8.428 -1.020 25452 169 1 2 . 1 1 9 9 GLY CA C 9 43.986 43.986 44.108 -0.122 25452 170 1 2 . 1 1 9 9 GLY H H 9 8.194 8.194 8.625 -0.431 25452 171 1 2 . 1 1 10 10 ASN HA H 10 4.715 4.715 4.923 -0.208 25452 172 1 2 . 1 1 10 10 ASN CA C 10 52.895 52.895 52.943 -0.048 25452 173 1 2 . 1 1 10 10 ASN CB C 10 42.114 42.114 41.200 0.914 25452 174 1 2 . 1 1 10 10 ASN H H 10 8.083 8.083 8.206 -0.123 25452 175 1 2 . 1 1 11 11 ALA HA H 11 4.194 4.194 4.177 0.017 25452 176 1 2 . 1 1 11 11 ALA CA C 11 55.288 55.288 54.685 0.603 25452 177 1 2 . 1 1 11 11 ALA CB C 11 18.639 18.639 19.044 -0.405 25452 178 1 2 . 1 1 11 11 ALA H H 11 9.249 9.249 8.925 0.324 25452 179 1 2 . 1 1 12 12 LEU HA H 12 4.092 4.092 4.011 0.081 25452 180 1 2 . 1 1 12 12 LEU CA C 12 57.320 57.320 57.365 -0.045 25452 181 1 2 . 1 1 12 12 LEU CB C 12 41.383 41.383 41.964 -0.581 25452 182 1 2 . 1 1 12 12 LEU H H 12 8.145 8.145 8.578 -0.433 25452 183 1 2 . 1 1 13 13 TYR HA H 13 4.515 4.515 4.598 -0.083 25452 184 1 2 . 1 1 13 13 TYR CA C 13 57.712 57.712 57.583 0.129 25452 185 1 2 . 1 1 13 13 TYR CB C 13 39.718 39.718 38.524 1.194 25452 186 1 2 . 1 1 13 13 TYR H H 13 7.616 7.616 7.653 -0.037 25452 187 1 2 . 1 1 14 14 GLY CA C 14 46.708 46.708 45.980 0.728 25452 188 1 2 . 1 1 14 14 GLY H H 14 7.825 7.825 8.022 -0.197 25452 189 1 2 . 1 1 15 15 THR HA H 15 4.690 4.690 4.604 0.086 25452 190 1 2 . 1 1 15 15 THR CA C 15 60.074 60.074 60.418 -0.344 25452 191 1 2 . 1 1 15 15 THR CB C 15 71.665 71.665 70.692 0.974 25452 192 1 2 . 1 1 15 15 THR H H 15 7.618 7.618 7.936 -0.318 25452 193 1 2 . 1 1 16 16 LYS HA H 16 4.556 4.556 4.523 0.033 25452 194 1 2 . 1 1 16 16 LYS CA C 16 54.782 54.782 56.161 -1.379 25452 195 1 2 . 1 1 16 16 LYS CB C 16 34.305 34.305 32.512 1.793 25452 196 1 2 . 1 1 16 16 LYS H H 16 8.873 8.873 8.818 0.055 25452 197 1 2 . 1 1 17 17 GLY CA C 17 44.600 44.600 43.946 0.654 25452 198 1 2 . 1 1 17 17 GLY H H 17 8.283 8.283 7.981 0.302 25452 199 1 2 . 1 1 18 18 PRO HA H 18 4.579 4.579 4.493 0.086 25452 200 1 2 . 1 1 18 18 PRO CA C 18 62.799 62.799 62.620 0.179 25452 201 1 2 . 1 1 18 18 PRO CB C 18 33.234 33.234 32.989 0.245 25452 202 1 2 . 1 1 19 19 GLY CA C 19 43.985 43.985 43.734 0.251 25452 203 1 2 . 1 1 19 19 GLY H H 19 8.535 8.535 8.456 0.079 25452 204 1 2 . 1 1 20 20 CYS HA H 20 4.982 4.982 4.492 0.490 25452 205 1 2 . 1 1 20 20 CYS CA C 20 55.904 55.904 60.041 -4.137 25452 206 1 2 . 1 1 20 20 CYS CB C 20 39.643 39.643 26.035 13.607 25452 207 1 2 . 1 1 20 20 CYS H H 20 9.178 9.178 8.814 0.364 25452 208 1 2 . 1 1 21 21 CYS HA H 21 4.434 4.434 4.132 0.302 25452 209 1 2 . 1 1 21 21 CYS CA C 21 56.857 56.857 61.533 -4.676 25452 210 1 2 . 1 1 21 21 CYS CB C 21 39.151 39.151 27.379 11.772 25452 211 1 2 . 1 1 21 21 CYS H H 21 9.959 9.959 8.895 1.064 25452 212 1 2 . 1 1 22 22 ASN HA H 22 4.831 4.831 4.741 0.090 25452 213 1 2 . 1 1 22 22 ASN CA C 22 52.786 52.786 53.106 -0.320 25452 214 1 2 . 1 1 22 22 ASN CB C 22 41.225 41.225 39.571 1.654 25452 215 1 2 . 1 1 22 22 ASN H H 22 8.699 8.699 8.123 0.576 25452 216 1 2 . 1 1 23 23 GLY CA C 23 45.394 45.394 44.987 0.407 25452 217 1 2 . 1 1 23 23 GLY H H 23 8.394 8.394 8.324 0.070 25452 218 1 2 . 1 1 24 24 LYS HA H 24 4.488 4.488 4.631 -0.143 25452 219 1 2 . 1 1 24 24 LYS CA C 24 55.015 55.015 56.012 -0.997 25452 220 1 2 . 1 1 24 24 LYS CB C 24 35.233 35.233 35.914 -0.681 25452 221 1 2 . 1 1 24 24 LYS H H 24 8.189 8.189 8.374 -0.185 25452 222 1 2 . 1 1 25 25 CYS HA H 25 4.701 4.701 5.138 -0.437 25452 223 1 2 . 1 1 25 25 CYS CA C 25 55.336 55.336 58.155 -2.819 25452 224 1 2 . 1 1 25 25 CYS CB C 25 38.089 38.089 28.020 10.069 25452 225 1 2 . 1 1 25 25 CYS H H 25 8.928 8.928 8.481 0.447 25452 226 1 2 . 1 1 26 26 ILE HA H 26 4.249 4.249 4.557 -0.308 25452 227 1 2 . 1 1 26 26 ILE CA C 26 60.017 60.017 59.687 0.330 25452 228 1 2 . 1 1 26 26 ILE CB C 26 38.295 38.295 38.381 -0.086 25452 229 1 2 . 1 1 26 26 ILE H H 26 8.272 8.272 9.060 -0.788 25452 230 1 2 . 1 1 27 27 CYS HA H 27 5.292 5.292 4.629 0.663 25452 231 1 2 . 1 1 27 27 CYS CA C 27 54.607 54.607 58.760 -4.153 25452 232 1 2 . 1 1 27 27 CYS CB C 27 46.328 46.328 26.664 19.664 25452 233 1 2 . 1 1 27 27 CYS H H 27 8.782 8.782 8.897 -0.115 25452 234 1 2 . 1 1 28 28 ARG HA H 28 4.566 4.566 4.641 -0.075 25452 235 1 2 . 1 1 28 28 ARG CA C 28 55.129 55.129 55.734 -0.605 25452 236 1 2 . 1 1 28 28 ARG CB C 28 32.925 32.925 34.375 -1.450 25452 237 1 2 . 1 1 28 28 ARG H H 28 8.644 8.644 8.392 0.252 25452 238 1 2 . 1 1 29 29 THR HA H 29 4.573 4.573 5.343 -0.770 25452 239 1 2 . 1 1 29 29 THR CA C 29 62.315 62.315 61.423 0.892 25452 240 1 2 . 1 1 29 29 THR CB C 29 69.965 69.965 69.388 0.577 25452 241 1 2 . 1 1 29 29 THR H H 29 8.551 8.551 8.278 0.273 25452 242 1 2 . 1 1 30 30 VAL HA H 30 4.444 4.444 4.784 -0.340 25452 243 1 2 . 1 1 30 30 VAL CA C 30 60.186 60.186 58.073 2.113 25452 244 1 2 . 1 1 30 30 VAL CB C 30 32.749 32.749 35.007 -2.258 25452 245 1 2 . 1 1 30 30 VAL H H 30 8.578 8.578 8.304 0.274 25452 246 1 2 . 1 1 31 31 PRO HA H 31 4.351 4.351 4.207 0.144 25452 247 1 2 . 1 1 31 31 PRO CA C 31 64.468 64.468 64.802 -0.334 25452 248 1 2 . 1 1 31 31 PRO CB C 31 32.294 32.294 31.779 0.515 25452 249 1 2 . 1 1 32 32 ARG HA H 32 4.135 4.135 4.224 -0.089 25452 250 1 2 . 1 1 32 32 ARG CA C 32 57.993 57.993 56.242 1.751 25452 251 1 2 . 1 1 32 32 ARG CB C 32 29.785 29.785 28.672 1.113 25452 252 1 2 . 1 1 32 32 ARG H H 32 8.658 8.658 8.078 0.580 25452 253 1 2 . 1 1 33 33 LYS HA H 33 4.395 4.395 3.978 0.417 25452 254 1 2 . 1 1 33 33 LYS CA C 33 56.622 56.622 57.201 -0.579 25452 255 1 2 . 1 1 33 33 LYS CB C 33 33.815 33.815 29.895 3.920 25452 256 1 2 . 1 1 33 33 LYS H H 33 8.200 8.200 8.611 -0.411 25452 257 1 2 . 1 1 34 34 GLY CA C 34 46.119 46.119 44.752 1.367 25452 258 1 2 . 1 1 34 34 GLY H H 34 8.501 8.501 7.839 0.662 25452 259 1 2 . 1 1 35 35 VAL HA H 35 4.417 4.417 3.981 0.436 25452 260 1 2 . 1 1 35 35 VAL CA C 35 60.474 60.474 60.522 -0.048 25452 261 1 2 . 1 1 35 35 VAL CB C 35 34.629 34.629 30.070 4.559 25452 262 1 2 . 1 1 35 35 VAL H H 35 7.317 7.317 7.793 -0.476 25452 263 1 2 . 1 1 36 36 ASN HA H 36 5.145 5.145 4.464 0.681 25452 264 1 2 . 1 1 36 36 ASN CA C 36 53.013 53.013 54.098 -1.085 25452 265 1 2 . 1 1 36 36 ASN CB C 36 40.500 40.500 37.700 2.800 25452 266 1 2 . 1 1 36 36 ASN H H 36 8.789 8.789 8.217 0.572 25452 267 1 2 . 1 1 37 37 SER HA H 37 4.656 4.656 4.505 0.151 25452 268 1 2 . 1 1 37 37 SER CA C 37 57.429 57.429 58.227 -0.798 25452 269 1 2 . 1 1 37 37 SER CB C 37 64.251 64.251 63.246 1.005 25452 270 1 2 . 1 1 37 37 SER H H 37 8.774 8.774 8.162 0.612 25452 271 1 2 . 1 1 38 38 CYS HA H 38 5.566 5.566 4.975 0.591 25452 272 1 2 . 1 1 38 38 CYS CA C 38 55.624 55.624 57.689 -2.065 25452 273 1 2 . 1 1 38 38 CYS CB C 38 48.350 48.350 27.630 20.720 25452 274 1 2 . 1 1 38 38 CYS H H 38 8.973 8.973 8.580 0.393 25452 275 1 2 . 1 1 39 39 ARG HA H 39 5.120 5.120 5.444 -0.324 25452 276 1 2 . 1 1 39 39 ARG CA C 39 54.635 54.635 51.908 2.727 25452 277 1 2 . 1 1 39 39 ARG CB C 39 36.013 36.013 32.805 3.208 25452 278 1 2 . 1 1 39 39 ARG H H 39 8.787 8.787 8.452 0.335 25452 279 1 2 . 1 1 40 40 CYS HA H 40 4.925 4.925 4.702 0.223 25452 280 1 2 . 1 1 40 40 CYS CA C 40 56.037 56.037 60.558 -4.521 25452 281 1 2 . 1 1 40 40 CYS CB C 40 39.651 39.651 26.137 13.514 25452 282 1 2 . 1 1 40 40 CYS H H 40 8.580 8.580 8.446 0.134 25452 283 1 3 . 1 1 2 2 ALA HA H 2 4.738 4.738 4.784 -0.046 25452 284 1 3 . 1 1 2 2 ALA CA C 2 51.709 51.709 50.672 1.037 25452 285 1 3 . 1 1 2 2 ALA CB C 2 21.586 21.586 21.392 0.194 25452 286 1 3 . 1 1 2 2 ALA H H 2 9.549 9.549 8.376 1.173 25452 287 1 3 . 1 1 3 3 SER HA H 3 4.413 4.413 4.609 -0.196 25452 288 1 3 . 1 1 3 3 SER CA C 3 58.103 58.103 55.994 2.109 25452 289 1 3 . 1 1 3 3 SER CB C 3 64.407 64.407 64.375 0.032 25452 290 1 3 . 1 1 3 3 SER H H 3 9.174 9.174 8.263 0.911 25452 291 1 3 . 1 1 4 4 LYS HA H 4 3.751 3.751 3.983 -0.232 25452 292 1 3 . 1 1 4 4 LYS CA C 4 59.020 59.020 58.085 0.935 25452 293 1 3 . 1 1 4 4 LYS H H 4 8.275 8.275 8.502 -0.227 25452 294 1 3 . 1 1 5 5 ASN HA H 5 4.366 4.366 4.291 0.075 25452 295 1 3 . 1 1 5 5 ASN CA C 5 55.761 55.761 55.120 0.641 25452 296 1 3 . 1 1 5 5 ASN CB C 5 38.046 38.046 37.019 1.027 25452 297 1 3 . 1 1 5 5 ASN H H 5 9.046 9.046 9.076 -0.031 25452 298 1 3 . 1 1 6 6 GLU HA H 6 4.461 4.461 4.526 -0.065 25452 299 1 3 . 1 1 6 6 GLU CA C 6 55.983 55.983 54.932 1.051 25452 300 1 3 . 1 1 6 6 GLU CB C 6 31.173 31.173 31.513 -0.340 25452 301 1 3 . 1 1 6 6 GLU H H 6 8.024 8.024 7.701 0.323 25452 302 1 3 . 1 1 7 7 ARG HA H 7 4.641 4.641 4.362 0.279 25452 303 1 3 . 1 1 7 7 ARG CA C 7 57.262 57.262 57.047 0.215 25452 304 1 3 . 1 1 7 7 ARG CB C 7 30.703 30.703 30.461 0.242 25452 305 1 3 . 1 1 7 7 ARG H H 7 8.466 8.466 8.522 -0.056 25452 306 1 3 . 1 1 8 8 CYS HA H 8 5.089 5.089 5.169 -0.080 25452 307 1 3 . 1 1 8 8 CYS CA C 8 52.465 52.465 56.167 -3.702 25452 308 1 3 . 1 1 8 8 CYS CB C 8 48.107 48.107 30.979 17.128 25452 309 1 3 . 1 1 8 8 CYS H H 8 7.408 7.408 8.327 -0.919 25452 310 1 3 . 1 1 9 9 GLY CA C 9 43.986 43.986 44.338 -0.352 25452 311 1 3 . 1 1 9 9 GLY H H 9 8.194 8.194 8.716 -0.522 25452 312 1 3 . 1 1 10 10 ASN HA H 10 4.715 4.715 4.854 -0.139 25452 313 1 3 . 1 1 10 10 ASN CA C 10 52.895 52.895 52.744 0.151 25452 314 1 3 . 1 1 10 10 ASN CB C 10 42.114 42.114 41.461 0.653 25452 315 1 3 . 1 1 10 10 ASN H H 10 8.083 8.083 8.328 -0.245 25452 316 1 3 . 1 1 11 11 ALA HA H 11 4.194 4.194 4.183 0.011 25452 317 1 3 . 1 1 11 11 ALA CA C 11 55.288 55.288 54.660 0.628 25452 318 1 3 . 1 1 11 11 ALA CB C 11 18.639 18.639 19.069 -0.430 25452 319 1 3 . 1 1 11 11 ALA H H 11 9.249 9.249 8.926 0.323 25452 320 1 3 . 1 1 12 12 LEU HA H 12 4.092 4.092 4.018 0.075 25452 321 1 3 . 1 1 12 12 LEU CA C 12 57.320 57.320 57.315 0.005 25452 322 1 3 . 1 1 12 12 LEU CB C 12 41.383 41.383 41.909 -0.526 25452 323 1 3 . 1 1 12 12 LEU H H 12 8.145 8.145 8.433 -0.288 25452 324 1 3 . 1 1 13 13 TYR HA H 13 4.515 4.515 4.601 -0.086 25452 325 1 3 . 1 1 13 13 TYR CA C 13 57.712 57.712 57.798 -0.086 25452 326 1 3 . 1 1 13 13 TYR CB C 13 39.718 39.718 38.252 1.466 25452 327 1 3 . 1 1 13 13 TYR H H 13 7.616 7.616 7.734 -0.118 25452 328 1 3 . 1 1 14 14 GLY CA C 14 46.708 46.708 46.252 0.456 25452 329 1 3 . 1 1 14 14 GLY H H 14 7.825 7.825 8.002 -0.177 25452 330 1 3 . 1 1 15 15 THR HA H 15 4.690 4.690 4.601 0.089 25452 331 1 3 . 1 1 15 15 THR CA C 15 60.074 60.074 60.241 -0.167 25452 332 1 3 . 1 1 15 15 THR CB C 15 71.665 71.665 70.602 1.063 25452 333 1 3 . 1 1 15 15 THR H H 15 7.618 7.618 7.783 -0.165 25452 334 1 3 . 1 1 16 16 LYS HA H 16 4.556 4.556 4.636 -0.080 25452 335 1 3 . 1 1 16 16 LYS CA C 16 54.782 54.782 55.523 -0.741 25452 336 1 3 . 1 1 16 16 LYS CB C 16 34.305 34.305 31.340 2.965 25452 337 1 3 . 1 1 16 16 LYS H H 16 8.873 8.873 8.847 0.026 25452 338 1 3 . 1 1 17 17 GLY CA C 17 44.600 44.600 43.495 1.105 25452 339 1 3 . 1 1 17 17 GLY H H 17 8.283 8.283 8.133 0.150 25452 340 1 3 . 1 1 18 18 PRO HA H 18 4.579 4.579 4.487 0.092 25452 341 1 3 . 1 1 18 18 PRO CA C 18 62.799 62.799 62.519 0.280 25452 342 1 3 . 1 1 18 18 PRO CB C 18 33.234 33.234 32.958 0.276 25452 343 1 3 . 1 1 19 19 GLY CA C 19 43.985 43.985 44.152 -0.167 25452 344 1 3 . 1 1 19 19 GLY H H 19 8.535 8.535 8.425 0.110 25452 345 1 3 . 1 1 20 20 CYS HA H 20 4.982 4.982 4.864 0.118 25452 346 1 3 . 1 1 20 20 CYS CA C 20 55.904 55.904 59.241 -3.337 25452 347 1 3 . 1 1 20 20 CYS CB C 20 39.643 39.643 26.966 12.677 25452 348 1 3 . 1 1 20 20 CYS H H 20 9.178 9.178 8.766 0.412 25452 349 1 3 . 1 1 21 21 CYS HA H 21 4.434 4.434 4.247 0.187 25452 350 1 3 . 1 1 21 21 CYS CA C 21 56.857 56.857 60.906 -4.049 25452 351 1 3 . 1 1 21 21 CYS CB C 21 39.151 39.151 27.553 11.598 25452 352 1 3 . 1 1 21 21 CYS H H 21 9.959 9.959 8.954 1.005 25452 353 1 3 . 1 1 22 22 ASN HA H 22 4.831 4.831 4.741 0.090 25452 354 1 3 . 1 1 22 22 ASN CA C 22 52.786 52.786 53.683 -0.897 25452 355 1 3 . 1 1 22 22 ASN CB C 22 41.225 41.225 39.693 1.532 25452 356 1 3 . 1 1 22 22 ASN H H 22 8.699 8.699 8.152 0.547 25452 357 1 3 . 1 1 23 23 GLY CA C 23 45.394 45.394 44.895 0.499 25452 358 1 3 . 1 1 23 23 GLY H H 23 8.394 8.394 8.018 0.376 25452 359 1 3 . 1 1 24 24 LYS HA H 24 4.488 4.488 4.487 0.001 25452 360 1 3 . 1 1 24 24 LYS CA C 24 55.015 55.015 55.357 -0.342 25452 361 1 3 . 1 1 24 24 LYS CB C 24 35.233 35.233 33.701 1.532 25452 362 1 3 . 1 1 24 24 LYS H H 24 8.189 8.189 8.219 -0.030 25452 363 1 3 . 1 1 25 25 CYS HA H 25 4.701 4.701 4.315 0.386 25452 364 1 3 . 1 1 25 25 CYS CA C 25 55.336 55.336 59.949 -4.613 25452 365 1 3 . 1 1 25 25 CYS CB C 25 38.089 38.089 27.319 10.770 25452 366 1 3 . 1 1 25 25 CYS H H 25 8.928 8.928 8.858 0.070 25452 367 1 3 . 1 1 26 26 ILE HA H 26 4.249 4.249 4.299 -0.050 25452 368 1 3 . 1 1 26 26 ILE CA C 26 60.017 60.017 59.056 0.961 25452 369 1 3 . 1 1 26 26 ILE CB C 26 38.295 38.295 36.416 1.879 25452 370 1 3 . 1 1 26 26 ILE H H 26 8.272 8.272 8.738 -0.466 25452 371 1 3 . 1 1 27 27 CYS HA H 27 5.292 5.292 4.756 0.536 25452 372 1 3 . 1 1 27 27 CYS CA C 27 54.607 54.607 58.190 -3.583 25452 373 1 3 . 1 1 27 27 CYS CB C 27 46.328 46.328 27.128 19.200 25452 374 1 3 . 1 1 27 27 CYS H H 27 8.782 8.782 8.709 0.073 25452 375 1 3 . 1 1 28 28 ARG HA H 28 4.566 4.566 4.693 -0.127 25452 376 1 3 . 1 1 28 28 ARG CA C 28 55.129 55.129 56.107 -0.978 25452 377 1 3 . 1 1 28 28 ARG CB C 28 32.925 32.925 34.577 -1.652 25452 378 1 3 . 1 1 28 28 ARG H H 28 8.644 8.644 8.516 0.128 25452 379 1 3 . 1 1 29 29 THR HA H 29 4.573 4.573 5.270 -0.697 25452 380 1 3 . 1 1 29 29 THR CA C 29 62.315 62.315 61.033 1.282 25452 381 1 3 . 1 1 29 29 THR CB C 29 69.965 69.965 69.713 0.252 25452 382 1 3 . 1 1 29 29 THR H H 29 8.551 8.551 8.292 0.259 25452 383 1 3 . 1 1 30 30 VAL HA H 30 4.444 4.444 4.745 -0.301 25452 384 1 3 . 1 1 30 30 VAL CA C 30 60.186 60.186 58.238 1.948 25452 385 1 3 . 1 1 30 30 VAL CB C 30 32.749 32.749 34.646 -1.897 25452 386 1 3 . 1 1 30 30 VAL H H 30 8.578 8.578 8.335 0.243 25452 387 1 3 . 1 1 31 31 PRO HA H 31 4.351 4.351 4.241 0.110 25452 388 1 3 . 1 1 31 31 PRO CA C 31 64.468 64.468 64.781 -0.312 25452 389 1 3 . 1 1 31 31 PRO CB C 31 32.294 32.294 31.751 0.543 25452 390 1 3 . 1 1 32 32 ARG HA H 32 4.135 4.135 4.230 -0.095 25452 391 1 3 . 1 1 32 32 ARG CA C 32 57.993 57.993 56.221 1.772 25452 392 1 3 . 1 1 32 32 ARG CB C 32 29.785 29.785 28.502 1.283 25452 393 1 3 . 1 1 32 32 ARG H H 32 8.658 8.658 8.102 0.556 25452 394 1 3 . 1 1 33 33 LYS HA H 33 4.395 4.395 3.949 0.446 25452 395 1 3 . 1 1 33 33 LYS CA C 33 56.622 56.622 57.187 -0.565 25452 396 1 3 . 1 1 33 33 LYS CB C 33 33.815 33.815 30.145 3.670 25452 397 1 3 . 1 1 33 33 LYS H H 33 8.200 8.200 8.657 -0.457 25452 398 1 3 . 1 1 34 34 GLY CA C 34 46.119 46.119 45.077 1.042 25452 399 1 3 . 1 1 34 34 GLY H H 34 8.501 8.501 8.009 0.492 25452 400 1 3 . 1 1 35 35 VAL HA H 35 4.417 4.417 3.965 0.452 25452 401 1 3 . 1 1 35 35 VAL CA C 35 60.474 60.474 60.710 -0.236 25452 402 1 3 . 1 1 35 35 VAL CB C 35 34.629 34.629 30.174 4.455 25452 403 1 3 . 1 1 35 35 VAL H H 35 7.317 7.317 8.072 -0.755 25452 404 1 3 . 1 1 36 36 ASN HA H 36 5.145 5.145 4.518 0.627 25452 405 1 3 . 1 1 36 36 ASN CA C 36 53.013 53.013 54.211 -1.198 25452 406 1 3 . 1 1 36 36 ASN CB C 36 40.500 40.500 37.251 3.249 25452 407 1 3 . 1 1 36 36 ASN H H 36 8.789 8.789 8.187 0.602 25452 408 1 3 . 1 1 37 37 SER HA H 37 4.656 4.656 4.655 0.001 25452 409 1 3 . 1 1 37 37 SER CA C 37 57.429 57.429 57.721 -0.292 25452 410 1 3 . 1 1 37 37 SER CB C 37 64.251 64.251 64.211 0.040 25452 411 1 3 . 1 1 37 37 SER H H 37 8.774 8.774 8.120 0.654 25452 412 1 3 . 1 1 38 38 CYS HA H 38 5.566 5.566 4.919 0.647 25452 413 1 3 . 1 1 38 38 CYS CA C 38 55.624 55.624 58.232 -2.608 25452 414 1 3 . 1 1 38 38 CYS CB C 38 48.350 48.350 27.255 21.095 25452 415 1 3 . 1 1 38 38 CYS H H 38 8.973 8.973 9.078 -0.105 25452 416 1 3 . 1 1 39 39 ARG HA H 39 5.120 5.120 4.625 0.495 25452 417 1 3 . 1 1 39 39 ARG CA C 39 54.635 54.635 53.935 0.700 25452 418 1 3 . 1 1 39 39 ARG CB C 39 36.013 36.013 32.413 3.600 25452 419 1 3 . 1 1 39 39 ARG H H 39 8.787 8.787 8.521 0.266 25452 420 1 3 . 1 1 40 40 CYS HA H 40 4.925 4.925 4.460 0.465 25452 421 1 3 . 1 1 40 40 CYS CA C 40 56.037 56.037 60.071 -4.034 25452 422 1 3 . 1 1 40 40 CYS CB C 40 39.651 39.651 26.312 13.339 25452 423 1 3 . 1 1 40 40 CYS H H 40 8.580 8.580 8.618 -0.038 25452 424 1 4 . 1 1 2 2 ALA HA H 2 4.738 4.738 4.538 0.200 25452 425 1 4 . 1 1 2 2 ALA CA C 2 51.709 51.709 51.761 -0.052 25452 426 1 4 . 1 1 2 2 ALA CB C 2 21.586 21.586 20.142 1.444 25452 427 1 4 . 1 1 2 2 ALA H H 2 9.549 9.549 8.512 1.037 25452 428 1 4 . 1 1 3 3 SER HA H 3 4.413 4.413 4.632 -0.219 25452 429 1 4 . 1 1 3 3 SER CA C 3 58.103 58.103 56.879 1.224 25452 430 1 4 . 1 1 3 3 SER CB C 3 64.407 64.407 64.410 -0.003 25452 431 1 4 . 1 1 3 3 SER H H 3 9.174 9.174 8.666 0.508 25452 432 1 4 . 1 1 4 4 LYS HA H 4 3.751 3.751 4.027 -0.276 25452 433 1 4 . 1 1 4 4 LYS CA C 4 59.020 59.020 58.215 0.805 25452 434 1 4 . 1 1 4 4 LYS H H 4 8.275 8.275 8.418 -0.143 25452 435 1 4 . 1 1 5 5 ASN HA H 5 4.366 4.366 4.398 -0.032 25452 436 1 4 . 1 1 5 5 ASN CA C 5 55.761 55.761 54.776 0.985 25452 437 1 4 . 1 1 5 5 ASN CB C 5 38.046 38.046 36.448 1.598 25452 438 1 4 . 1 1 5 5 ASN H H 5 9.046 9.046 8.730 0.316 25452 439 1 4 . 1 1 6 6 GLU HA H 6 4.461 4.461 4.526 -0.065 25452 440 1 4 . 1 1 6 6 GLU CA C 6 55.983 55.983 54.964 1.019 25452 441 1 4 . 1 1 6 6 GLU CB C 6 31.173 31.173 32.099 -0.925 25452 442 1 4 . 1 1 6 6 GLU H H 6 8.024 8.024 7.801 0.223 25452 443 1 4 . 1 1 7 7 ARG HA H 7 4.641 4.641 4.530 0.111 25452 444 1 4 . 1 1 7 7 ARG CA C 7 57.262 57.262 56.469 0.793 25452 445 1 4 . 1 1 7 7 ARG CB C 7 30.703 30.703 30.060 0.643 25452 446 1 4 . 1 1 7 7 ARG H H 7 8.466 8.466 8.515 -0.049 25452 447 1 4 . 1 1 8 8 CYS HA H 8 5.089 5.089 5.349 -0.260 25452 448 1 4 . 1 1 8 8 CYS CA C 8 52.465 52.465 56.252 -3.787 25452 449 1 4 . 1 1 8 8 CYS CB C 8 48.107 48.107 30.956 17.151 25452 450 1 4 . 1 1 8 8 CYS H H 8 7.408 7.408 8.256 -0.848 25452 451 1 4 . 1 1 9 9 GLY CA C 9 43.986 43.986 44.136 -0.150 25452 452 1 4 . 1 1 9 9 GLY H H 9 8.194 8.194 8.400 -0.206 25452 453 1 4 . 1 1 10 10 ASN HA H 10 4.715 4.715 4.954 -0.239 25452 454 1 4 . 1 1 10 10 ASN CA C 10 52.895 52.895 53.140 -0.245 25452 455 1 4 . 1 1 10 10 ASN CB C 10 42.114 42.114 40.919 1.195 25452 456 1 4 . 1 1 10 10 ASN H H 10 8.083 8.083 8.841 -0.758 25452 457 1 4 . 1 1 11 11 ALA HA H 11 4.194 4.194 4.120 0.074 25452 458 1 4 . 1 1 11 11 ALA CA C 11 55.288 55.288 54.839 0.449 25452 459 1 4 . 1 1 11 11 ALA CB C 11 18.639 18.639 18.863 -0.224 25452 460 1 4 . 1 1 11 11 ALA H H 11 9.249 9.249 8.736 0.513 25452 461 1 4 . 1 1 12 12 LEU HA H 12 4.092 4.092 4.018 0.074 25452 462 1 4 . 1 1 12 12 LEU CA C 12 57.320 57.320 57.485 -0.165 25452 463 1 4 . 1 1 12 12 LEU CB C 12 41.383 41.383 42.477 -1.094 25452 464 1 4 . 1 1 12 12 LEU H H 12 8.145 8.145 8.543 -0.398 25452 465 1 4 . 1 1 13 13 TYR HA H 13 4.515 4.515 4.611 -0.096 25452 466 1 4 . 1 1 13 13 TYR CA C 13 57.712 57.712 57.623 0.089 25452 467 1 4 . 1 1 13 13 TYR CB C 13 39.718 39.718 38.868 0.850 25452 468 1 4 . 1 1 13 13 TYR H H 13 7.616 7.616 7.616 0.000 25452 469 1 4 . 1 1 14 14 GLY CA C 14 46.708 46.708 45.981 0.727 25452 470 1 4 . 1 1 14 14 GLY H H 14 7.825 7.825 8.090 -0.265 25452 471 1 4 . 1 1 15 15 THR HA H 15 4.690 4.690 4.620 0.070 25452 472 1 4 . 1 1 15 15 THR CA C 15 60.074 60.074 60.226 -0.152 25452 473 1 4 . 1 1 15 15 THR CB C 15 71.665 71.665 70.611 1.054 25452 474 1 4 . 1 1 15 15 THR H H 15 7.618 7.618 7.876 -0.258 25452 475 1 4 . 1 1 16 16 LYS HA H 16 4.556 4.556 4.755 -0.199 25452 476 1 4 . 1 1 16 16 LYS CA C 16 54.782 54.782 55.583 -0.801 25452 477 1 4 . 1 1 16 16 LYS CB C 16 34.305 34.305 32.703 1.603 25452 478 1 4 . 1 1 16 16 LYS H H 16 8.873 8.873 8.772 0.101 25452 479 1 4 . 1 1 17 17 GLY CA C 17 44.600 44.600 44.832 -0.232 25452 480 1 4 . 1 1 17 17 GLY H H 17 8.283 8.283 8.335 -0.052 25452 481 1 4 . 1 1 18 18 PRO HA H 18 4.579 4.579 4.516 0.063 25452 482 1 4 . 1 1 18 18 PRO CA C 18 62.799 62.799 62.579 0.220 25452 483 1 4 . 1 1 18 18 PRO CB C 18 33.234 33.234 32.853 0.381 25452 484 1 4 . 1 1 19 19 GLY CA C 19 43.985 43.985 43.592 0.393 25452 485 1 4 . 1 1 19 19 GLY H H 19 8.535 8.535 8.444 0.091 25452 486 1 4 . 1 1 20 20 CYS HA H 20 4.982 4.982 4.522 0.460 25452 487 1 4 . 1 1 20 20 CYS CA C 20 55.904 55.904 59.980 -4.076 25452 488 1 4 . 1 1 20 20 CYS CB C 20 39.643 39.643 25.387 14.256 25452 489 1 4 . 1 1 20 20 CYS H H 20 9.178 9.178 8.735 0.443 25452 490 1 4 . 1 1 21 21 CYS HA H 21 4.434 4.434 4.116 0.318 25452 491 1 4 . 1 1 21 21 CYS CA C 21 56.857 56.857 61.576 -4.719 25452 492 1 4 . 1 1 21 21 CYS CB C 21 39.151 39.151 27.519 11.632 25452 493 1 4 . 1 1 21 21 CYS H H 21 9.959 9.959 8.874 1.085 25452 494 1 4 . 1 1 22 22 ASN HA H 22 4.831 4.831 4.842 -0.011 25452 495 1 4 . 1 1 22 22 ASN CA C 22 52.786 52.786 53.597 -0.811 25452 496 1 4 . 1 1 22 22 ASN CB C 22 41.225 41.225 40.121 1.104 25452 497 1 4 . 1 1 22 22 ASN H H 22 8.699 8.699 8.199 0.500 25452 498 1 4 . 1 1 23 23 GLY CA C 23 45.394 45.394 45.419 -0.025 25452 499 1 4 . 1 1 23 23 GLY H H 23 8.394 8.394 8.259 0.135 25452 500 1 4 . 1 1 24 24 LYS HA H 24 4.488 4.488 4.684 -0.196 25452 501 1 4 . 1 1 24 24 LYS CA C 24 55.015 55.015 55.656 -0.641 25452 502 1 4 . 1 1 24 24 LYS CB C 24 35.233 35.233 35.078 0.155 25452 503 1 4 . 1 1 24 24 LYS H H 24 8.189 8.189 8.267 -0.078 25452 504 1 4 . 1 1 25 25 CYS HA H 25 4.701 4.701 4.422 0.279 25452 505 1 4 . 1 1 25 25 CYS CA C 25 55.336 55.336 59.037 -3.701 25452 506 1 4 . 1 1 25 25 CYS CB C 25 38.089 38.089 27.034 11.055 25452 507 1 4 . 1 1 25 25 CYS H H 25 8.928 8.928 8.783 0.145 25452 508 1 4 . 1 1 26 26 ILE HA H 26 4.249 4.249 4.198 0.051 25452 509 1 4 . 1 1 26 26 ILE CA C 26 60.017 60.017 59.253 0.764 25452 510 1 4 . 1 1 26 26 ILE CB C 26 38.295 38.295 36.083 2.212 25452 511 1 4 . 1 1 26 26 ILE H H 26 8.272 8.272 8.724 -0.452 25452 512 1 4 . 1 1 27 27 CYS HA H 27 5.292 5.292 4.448 0.844 25452 513 1 4 . 1 1 27 27 CYS CA C 27 54.607 54.607 58.112 -3.505 25452 514 1 4 . 1 1 27 27 CYS CB C 27 46.328 46.328 25.741 20.587 25452 515 1 4 . 1 1 27 27 CYS H H 27 8.782 8.782 8.383 0.399 25452 516 1 4 . 1 1 28 28 ARG HA H 28 4.566 4.566 4.732 -0.166 25452 517 1 4 . 1 1 28 28 ARG CA C 28 55.129 55.129 54.189 0.940 25452 518 1 4 . 1 1 28 28 ARG CB C 28 32.925 32.925 33.617 -0.692 25452 519 1 4 . 1 1 28 28 ARG H H 28 8.644 8.644 8.234 0.410 25452 520 1 4 . 1 1 29 29 THR HA H 29 4.573 4.573 4.543 0.030 25452 521 1 4 . 1 1 29 29 THR CA C 29 62.315 62.315 62.388 -0.073 25452 522 1 4 . 1 1 29 29 THR CB C 29 69.965 69.965 68.973 0.992 25452 523 1 4 . 1 1 29 29 THR H H 29 8.551 8.551 8.339 0.212 25452 524 1 4 . 1 1 30 30 VAL HA H 30 4.444 4.444 4.473 -0.029 25452 525 1 4 . 1 1 30 30 VAL CA C 30 60.186 60.186 58.878 1.308 25452 526 1 4 . 1 1 30 30 VAL CB C 30 32.749 32.749 33.041 -0.292 25452 527 1 4 . 1 1 30 30 VAL H H 30 8.578 8.578 8.200 0.378 25452 528 1 4 . 1 1 31 31 PRO HA H 31 4.351 4.351 4.225 0.126 25452 529 1 4 . 1 1 31 31 PRO CA C 31 64.468 64.468 64.947 -0.479 25452 530 1 4 . 1 1 31 31 PRO CB C 31 32.294 32.294 31.802 0.492 25452 531 1 4 . 1 1 32 32 ARG HA H 32 4.135 4.135 4.194 -0.059 25452 532 1 4 . 1 1 32 32 ARG CA C 32 57.993 57.993 56.319 1.674 25452 533 1 4 . 1 1 32 32 ARG CB C 32 29.785 29.785 28.754 1.031 25452 534 1 4 . 1 1 32 32 ARG H H 32 8.658 8.658 8.123 0.535 25452 535 1 4 . 1 1 33 33 LYS HA H 33 4.395 4.395 4.003 0.392 25452 536 1 4 . 1 1 33 33 LYS CA C 33 56.622 56.622 57.262 -0.640 25452 537 1 4 . 1 1 33 33 LYS CB C 33 33.815 33.815 30.680 3.135 25452 538 1 4 . 1 1 33 33 LYS H H 33 8.200 8.200 8.583 -0.383 25452 539 1 4 . 1 1 34 34 GLY CA C 34 46.119 46.119 44.926 1.193 25452 540 1 4 . 1 1 34 34 GLY H H 34 8.501 8.501 7.981 0.520 25452 541 1 4 . 1 1 35 35 VAL HA H 35 4.417 4.417 3.921 0.496 25452 542 1 4 . 1 1 35 35 VAL CA C 35 60.474 60.474 61.551 -1.077 25452 543 1 4 . 1 1 35 35 VAL CB C 35 34.629 34.629 30.422 4.207 25452 544 1 4 . 1 1 35 35 VAL H H 35 7.317 7.317 8.183 -0.866 25452 545 1 4 . 1 1 36 36 ASN HA H 36 5.145 5.145 4.378 0.767 25452 546 1 4 . 1 1 36 36 ASN CA C 36 53.013 53.013 54.096 -1.083 25452 547 1 4 . 1 1 36 36 ASN CB C 36 40.500 40.500 36.114 4.386 25452 548 1 4 . 1 1 36 36 ASN H H 36 8.789 8.789 8.311 0.478 25452 549 1 4 . 1 1 37 37 SER HA H 37 4.656 4.656 4.422 0.234 25452 550 1 4 . 1 1 37 37 SER CA C 37 57.429 57.429 58.454 -1.025 25452 551 1 4 . 1 1 37 37 SER CB C 37 64.251 64.251 63.897 0.354 25452 552 1 4 . 1 1 37 37 SER H H 37 8.774 8.774 8.262 0.512 25452 553 1 4 . 1 1 38 38 CYS HA H 38 5.566 5.566 4.808 0.758 25452 554 1 4 . 1 1 38 38 CYS CA C 38 55.624 55.624 57.728 -2.104 25452 555 1 4 . 1 1 38 38 CYS CB C 38 48.350 48.350 27.114 21.236 25452 556 1 4 . 1 1 38 38 CYS H H 38 8.973 8.973 8.900 0.073 25452 557 1 4 . 1 1 39 39 ARG HA H 39 5.120 5.120 4.787 0.333 25452 558 1 4 . 1 1 39 39 ARG CA C 39 54.635 54.635 53.967 0.668 25452 559 1 4 . 1 1 39 39 ARG CB C 39 36.013 36.013 31.457 4.556 25452 560 1 4 . 1 1 39 39 ARG H H 39 8.787 8.787 8.461 0.326 25452 561 1 4 . 1 1 40 40 CYS HA H 40 4.925 4.925 4.397 0.528 25452 562 1 4 . 1 1 40 40 CYS CA C 40 56.037 56.037 61.837 -5.800 25452 563 1 4 . 1 1 40 40 CYS CB C 40 39.651 39.651 26.340 13.311 25452 564 1 4 . 1 1 40 40 CYS H H 40 8.580 8.580 8.737 -0.157 25452 565 1 5 . 1 1 2 2 ALA HA H 2 4.738 4.738 4.509 0.229 25452 566 1 5 . 1 1 2 2 ALA CA C 2 51.709 51.709 52.062 -0.353 25452 567 1 5 . 1 1 2 2 ALA CB C 2 21.586 21.586 19.181 2.405 25452 568 1 5 . 1 1 2 2 ALA H H 2 9.549 9.549 8.421 1.128 25452 569 1 5 . 1 1 3 3 SER HA H 3 4.413 4.413 4.400 0.013 25452 570 1 5 . 1 1 3 3 SER CA C 3 58.103 58.103 57.929 0.174 25452 571 1 5 . 1 1 3 3 SER CB C 3 64.407 64.407 64.165 0.242 25452 572 1 5 . 1 1 3 3 SER H H 3 9.174 9.174 8.654 0.520 25452 573 1 5 . 1 1 4 4 LYS HA H 4 3.751 3.751 3.987 -0.236 25452 574 1 5 . 1 1 4 4 LYS CA C 4 59.020 59.020 58.158 0.862 25452 575 1 5 . 1 1 4 4 LYS H H 4 8.275 8.275 8.287 -0.012 25452 576 1 5 . 1 1 5 5 ASN HA H 5 4.366 4.366 4.440 -0.074 25452 577 1 5 . 1 1 5 5 ASN CA C 5 55.761 55.761 54.805 0.956 25452 578 1 5 . 1 1 5 5 ASN CB C 5 38.046 38.046 37.893 0.153 25452 579 1 5 . 1 1 5 5 ASN H H 5 9.046 9.046 8.810 0.236 25452 580 1 5 . 1 1 6 6 GLU HA H 6 4.461 4.461 4.551 -0.090 25452 581 1 5 . 1 1 6 6 GLU CA C 6 55.983 55.983 54.827 1.156 25452 582 1 5 . 1 1 6 6 GLU CB C 6 31.173 31.173 31.764 -0.591 25452 583 1 5 . 1 1 6 6 GLU H H 6 8.024 8.024 7.692 0.332 25452 584 1 5 . 1 1 7 7 ARG HA H 7 4.641 4.641 4.749 -0.108 25452 585 1 5 . 1 1 7 7 ARG CA C 7 57.262 57.262 56.067 1.195 25452 586 1 5 . 1 1 7 7 ARG CB C 7 30.703 30.703 29.386 1.317 25452 587 1 5 . 1 1 7 7 ARG H H 7 8.466 8.466 8.403 0.063 25452 588 1 5 . 1 1 8 8 CYS HA H 8 5.089 5.089 4.820 0.269 25452 589 1 5 . 1 1 8 8 CYS CA C 8 52.465 52.465 56.229 -3.764 25452 590 1 5 . 1 1 8 8 CYS CB C 8 48.107 48.107 30.627 17.480 25452 591 1 5 . 1 1 8 8 CYS H H 8 7.408 7.408 8.274 -0.866 25452 592 1 5 . 1 1 9 9 GLY CA C 9 43.986 43.986 43.955 0.032 25452 593 1 5 . 1 1 9 9 GLY H H 9 8.194 8.194 8.620 -0.426 25452 594 1 5 . 1 1 10 10 ASN HA H 10 4.715 4.715 4.905 -0.190 25452 595 1 5 . 1 1 10 10 ASN CA C 10 52.895 52.895 53.154 -0.259 25452 596 1 5 . 1 1 10 10 ASN CB C 10 42.114 42.114 40.880 1.234 25452 597 1 5 . 1 1 10 10 ASN H H 10 8.083 8.083 8.605 -0.522 25452 598 1 5 . 1 1 11 11 ALA HA H 11 4.194 4.194 4.106 0.088 25452 599 1 5 . 1 1 11 11 ALA CA C 11 55.288 55.288 54.971 0.317 25452 600 1 5 . 1 1 11 11 ALA CB C 11 18.639 18.639 18.849 -0.210 25452 601 1 5 . 1 1 11 11 ALA H H 11 9.249 9.249 8.744 0.505 25452 602 1 5 . 1 1 12 12 LEU HA H 12 4.092 4.092 4.089 0.003 25452 603 1 5 . 1 1 12 12 LEU CA C 12 57.320 57.320 57.504 -0.184 25452 604 1 5 . 1 1 12 12 LEU CB C 12 41.383 41.383 42.486 -1.103 25452 605 1 5 . 1 1 12 12 LEU H H 12 8.145 8.145 8.460 -0.315 25452 606 1 5 . 1 1 13 13 TYR HA H 13 4.515 4.515 4.613 -0.098 25452 607 1 5 . 1 1 13 13 TYR CA C 13 57.712 57.712 57.626 0.086 25452 608 1 5 . 1 1 13 13 TYR CB C 13 39.718 39.718 38.673 1.045 25452 609 1 5 . 1 1 13 13 TYR H H 13 7.616 7.616 7.818 -0.202 25452 610 1 5 . 1 1 14 14 GLY CA C 14 46.708 46.708 45.880 0.828 25452 611 1 5 . 1 1 14 14 GLY H H 14 7.825 7.825 8.102 -0.277 25452 612 1 5 . 1 1 15 15 THR HA H 15 4.690 4.690 4.559 0.131 25452 613 1 5 . 1 1 15 15 THR CA C 15 60.074 60.074 60.792 -0.718 25452 614 1 5 . 1 1 15 15 THR CB C 15 71.665 71.665 70.741 0.924 25452 615 1 5 . 1 1 15 15 THR H H 15 7.618 7.618 7.951 -0.333 25452 616 1 5 . 1 1 16 16 LYS HA H 16 4.556 4.556 4.508 0.048 25452 617 1 5 . 1 1 16 16 LYS CA C 16 54.782 54.782 56.013 -1.231 25452 618 1 5 . 1 1 16 16 LYS CB C 16 34.305 34.305 32.724 1.581 25452 619 1 5 . 1 1 16 16 LYS H H 16 8.873 8.873 8.573 0.300 25452 620 1 5 . 1 1 17 17 GLY CA C 17 44.600 44.600 44.045 0.554 25452 621 1 5 . 1 1 17 17 GLY H H 17 8.283 8.283 8.029 0.254 25452 622 1 5 . 1 1 18 18 PRO HA H 18 4.579 4.579 4.519 0.060 25452 623 1 5 . 1 1 18 18 PRO CA C 18 62.799 62.799 62.563 0.236 25452 624 1 5 . 1 1 18 18 PRO CB C 18 33.234 33.234 32.757 0.477 25452 625 1 5 . 1 1 19 19 GLY CA C 19 43.985 43.985 43.594 0.391 25452 626 1 5 . 1 1 19 19 GLY H H 19 8.535 8.535 8.430 0.105 25452 627 1 5 . 1 1 20 20 CYS HA H 20 4.982 4.982 4.831 0.151 25452 628 1 5 . 1 1 20 20 CYS CA C 20 55.904 55.904 59.080 -3.176 25452 629 1 5 . 1 1 20 20 CYS CB C 20 39.643 39.643 25.823 13.820 25452 630 1 5 . 1 1 20 20 CYS H H 20 9.178 9.178 8.626 0.552 25452 631 1 5 . 1 1 21 21 CYS HA H 21 4.434 4.434 4.183 0.251 25452 632 1 5 . 1 1 21 21 CYS CA C 21 56.857 56.857 60.544 -3.687 25452 633 1 5 . 1 1 21 21 CYS CB C 21 39.151 39.151 27.040 12.111 25452 634 1 5 . 1 1 21 21 CYS H H 21 9.959 9.959 8.999 0.960 25452 635 1 5 . 1 1 22 22 ASN HA H 22 4.831 4.831 4.736 0.095 25452 636 1 5 . 1 1 22 22 ASN CA C 22 52.786 52.786 53.387 -0.601 25452 637 1 5 . 1 1 22 22 ASN CB C 22 41.225 41.225 39.241 1.984 25452 638 1 5 . 1 1 22 22 ASN H H 22 8.699 8.699 8.250 0.449 25452 639 1 5 . 1 1 23 23 GLY CA C 23 45.394 45.394 44.636 0.758 25452 640 1 5 . 1 1 23 23 GLY H H 23 8.394 8.394 8.062 0.332 25452 641 1 5 . 1 1 24 24 LYS HA H 24 4.488 4.488 4.603 -0.115 25452 642 1 5 . 1 1 24 24 LYS CA C 24 55.015 55.015 55.457 -0.442 25452 643 1 5 . 1 1 24 24 LYS CB C 24 35.233 35.233 33.586 1.647 25452 644 1 5 . 1 1 24 24 LYS H H 24 8.189 8.189 8.098 0.091 25452 645 1 5 . 1 1 25 25 CYS HA H 25 4.701 4.701 4.604 0.097 25452 646 1 5 . 1 1 25 25 CYS CA C 25 55.336 55.336 59.640 -4.304 25452 647 1 5 . 1 1 25 25 CYS CB C 25 38.089 38.089 27.072 11.017 25452 648 1 5 . 1 1 25 25 CYS H H 25 8.928 8.928 8.808 0.120 25452 649 1 5 . 1 1 26 26 ILE HA H 26 4.249 4.249 4.266 -0.017 25452 650 1 5 . 1 1 26 26 ILE CA C 26 60.017 60.017 60.214 -0.197 25452 651 1 5 . 1 1 26 26 ILE CB C 26 38.295 38.295 39.156 -0.861 25452 652 1 5 . 1 1 26 26 ILE H H 26 8.272 8.272 8.984 -0.712 25452 653 1 5 . 1 1 27 27 CYS HA H 27 5.292 5.292 4.609 0.683 25452 654 1 5 . 1 1 27 27 CYS CA C 27 54.607 54.607 58.267 -3.660 25452 655 1 5 . 1 1 27 27 CYS CB C 27 46.328 46.328 25.964 20.364 25452 656 1 5 . 1 1 27 27 CYS H H 27 8.782 8.782 8.664 0.118 25452 657 1 5 . 1 1 28 28 ARG HA H 28 4.566 4.566 4.688 -0.122 25452 658 1 5 . 1 1 28 28 ARG CA C 28 55.129 55.129 55.419 -0.290 25452 659 1 5 . 1 1 28 28 ARG CB C 28 32.925 32.925 34.261 -1.335 25452 660 1 5 . 1 1 28 28 ARG H H 28 8.644 8.644 8.576 0.068 25452 661 1 5 . 1 1 29 29 THR HA H 29 4.573 4.573 5.358 -0.785 25452 662 1 5 . 1 1 29 29 THR CA C 29 62.315 62.315 61.045 1.270 25452 663 1 5 . 1 1 29 29 THR CB C 29 69.965 69.965 69.949 0.016 25452 664 1 5 . 1 1 29 29 THR H H 29 8.551 8.551 8.347 0.204 25452 665 1 5 . 1 1 30 30 VAL HA H 30 4.444 4.444 4.659 -0.215 25452 666 1 5 . 1 1 30 30 VAL CA C 30 60.186 60.186 58.495 1.691 25452 667 1 5 . 1 1 30 30 VAL CB C 30 32.749 32.749 34.092 -1.343 25452 668 1 5 . 1 1 30 30 VAL H H 30 8.578 8.578 8.298 0.280 25452 669 1 5 . 1 1 31 31 PRO HA H 31 4.351 4.351 4.246 0.105 25452 670 1 5 . 1 1 31 31 PRO CA C 31 64.468 64.468 64.965 -0.497 25452 671 1 5 . 1 1 31 31 PRO CB C 31 32.294 32.294 31.362 0.932 25452 672 1 5 . 1 1 32 32 ARG HA H 32 4.135 4.135 4.298 -0.163 25452 673 1 5 . 1 1 32 32 ARG CA C 32 57.993 57.993 55.764 2.229 25452 674 1 5 . 1 1 32 32 ARG CB C 32 29.785 29.785 27.891 1.894 25452 675 1 5 . 1 1 32 32 ARG H H 32 8.658 8.658 7.909 0.749 25452 676 1 5 . 1 1 33 33 LYS HA H 33 4.395 4.395 4.005 0.390 25452 677 1 5 . 1 1 33 33 LYS CA C 33 56.622 56.622 57.146 -0.524 25452 678 1 5 . 1 1 33 33 LYS CB C 33 33.815 33.815 31.428 2.387 25452 679 1 5 . 1 1 33 33 LYS H H 33 8.200 8.200 8.591 -0.391 25452 680 1 5 . 1 1 34 34 GLY CA C 34 46.119 46.119 44.519 1.600 25452 681 1 5 . 1 1 34 34 GLY H H 34 8.501 8.501 8.366 0.135 25452 682 1 5 . 1 1 35 35 VAL HA H 35 4.417 4.417 4.010 0.407 25452 683 1 5 . 1 1 35 35 VAL CA C 35 60.474 60.474 60.385 0.089 25452 684 1 5 . 1 1 35 35 VAL CB C 35 34.629 34.629 30.627 4.002 25452 685 1 5 . 1 1 35 35 VAL H H 35 7.317 7.317 7.528 -0.211 25452 686 1 5 . 1 1 36 36 ASN HA H 36 5.145 5.145 4.498 0.647 25452 687 1 5 . 1 1 36 36 ASN CA C 36 53.013 53.013 54.222 -1.209 25452 688 1 5 . 1 1 36 36 ASN CB C 36 40.500 40.500 37.026 3.474 25452 689 1 5 . 1 1 36 36 ASN H H 36 8.789 8.789 8.167 0.622 25452 690 1 5 . 1 1 37 37 SER HA H 37 4.656 4.656 4.623 0.033 25452 691 1 5 . 1 1 37 37 SER CA C 37 57.429 57.429 57.783 -0.354 25452 692 1 5 . 1 1 37 37 SER CB C 37 64.251 64.251 63.658 0.593 25452 693 1 5 . 1 1 37 37 SER H H 37 8.774 8.774 8.100 0.674 25452 694 1 5 . 1 1 38 38 CYS HA H 38 5.566 5.566 4.894 0.672 25452 695 1 5 . 1 1 38 38 CYS CA C 38 55.624 55.624 58.243 -2.619 25452 696 1 5 . 1 1 38 38 CYS CB C 38 48.350 48.350 26.701 21.649 25452 697 1 5 . 1 1 38 38 CYS H H 38 8.973 8.973 8.810 0.163 25452 698 1 5 . 1 1 39 39 ARG HA H 39 5.120 5.120 4.754 0.366 25452 699 1 5 . 1 1 39 39 ARG CA C 39 54.635 54.635 54.106 0.529 25452 700 1 5 . 1 1 39 39 ARG CB C 39 36.013 36.013 32.407 3.606 25452 701 1 5 . 1 1 39 39 ARG H H 39 8.787 8.787 8.391 0.396 25452 702 1 5 . 1 1 40 40 CYS HA H 40 4.925 4.925 4.499 0.426 25452 703 1 5 . 1 1 40 40 CYS CA C 40 56.037 56.037 60.855 -4.817 25452 704 1 5 . 1 1 40 40 CYS CB C 40 39.651 39.651 26.487 13.164 25452 705 1 5 . 1 1 40 40 CYS H H 40 8.580 8.580 8.491 0.089 25452 706 1 6 . 1 1 2 2 ALA HA H 2 4.738 4.738 4.475 0.263 25452 707 1 6 . 1 1 2 2 ALA CA C 2 51.709 51.709 51.703 0.006 25452 708 1 6 . 1 1 2 2 ALA CB C 2 21.586 21.586 20.251 1.335 25452 709 1 6 . 1 1 2 2 ALA H H 2 9.549 9.549 8.215 1.334 25452 710 1 6 . 1 1 3 3 SER HA H 3 4.413 4.413 4.763 -0.350 25452 711 1 6 . 1 1 3 3 SER CA C 3 58.103 58.103 56.864 1.239 25452 712 1 6 . 1 1 3 3 SER CB C 3 64.407 64.407 65.363 -0.956 25452 713 1 6 . 1 1 3 3 SER H H 3 9.174 9.174 8.474 0.700 25452 714 1 6 . 1 1 4 4 LYS HA H 4 3.751 3.751 4.026 -0.275 25452 715 1 6 . 1 1 4 4 LYS CA C 4 59.020 59.020 57.967 1.053 25452 716 1 6 . 1 1 4 4 LYS H H 4 8.275 8.275 8.337 -0.062 25452 717 1 6 . 1 1 5 5 ASN HA H 5 4.366 4.366 4.438 -0.072 25452 718 1 6 . 1 1 5 5 ASN CA C 5 55.761 55.761 55.135 0.626 25452 719 1 6 . 1 1 5 5 ASN CB C 5 38.046 38.046 37.630 0.416 25452 720 1 6 . 1 1 5 5 ASN H H 5 9.046 9.046 8.876 0.170 25452 721 1 6 . 1 1 6 6 GLU HA H 6 4.461 4.461 4.552 -0.091 25452 722 1 6 . 1 1 6 6 GLU CA C 6 55.983 55.983 54.816 1.167 25452 723 1 6 . 1 1 6 6 GLU CB C 6 31.173 31.173 31.489 -0.316 25452 724 1 6 . 1 1 6 6 GLU H H 6 8.024 8.024 7.657 0.367 25452 725 1 6 . 1 1 7 7 ARG HA H 7 4.641 4.641 4.444 0.197 25452 726 1 6 . 1 1 7 7 ARG CA C 7 57.262 57.262 57.099 0.163 25452 727 1 6 . 1 1 7 7 ARG CB C 7 30.703 30.703 30.900 -0.197 25452 728 1 6 . 1 1 7 7 ARG H H 7 8.466 8.466 8.587 -0.121 25452 729 1 6 . 1 1 8 8 CYS HA H 8 5.089 5.089 4.828 0.261 25452 730 1 6 . 1 1 8 8 CYS CA C 8 52.465 52.465 56.297 -3.832 25452 731 1 6 . 1 1 8 8 CYS CB C 8 48.107 48.107 31.242 16.864 25452 732 1 6 . 1 1 8 8 CYS H H 8 7.408 7.408 8.446 -1.038 25452 733 1 6 . 1 1 9 9 GLY CA C 9 43.986 43.986 43.948 0.038 25452 734 1 6 . 1 1 9 9 GLY H H 9 8.194 8.194 8.827 -0.633 25452 735 1 6 . 1 1 10 10 ASN HA H 10 4.715 4.715 4.931 -0.216 25452 736 1 6 . 1 1 10 10 ASN CA C 10 52.895 52.895 53.096 -0.201 25452 737 1 6 . 1 1 10 10 ASN CB C 10 42.114 42.114 40.679 1.435 25452 738 1 6 . 1 1 10 10 ASN H H 10 8.083 8.083 8.623 -0.540 25452 739 1 6 . 1 1 11 11 ALA HA H 11 4.194 4.194 4.100 0.094 25452 740 1 6 . 1 1 11 11 ALA CA C 11 55.288 55.288 54.977 0.311 25452 741 1 6 . 1 1 11 11 ALA CB C 11 18.639 18.639 18.877 -0.238 25452 742 1 6 . 1 1 11 11 ALA H H 11 9.249 9.249 8.767 0.482 25452 743 1 6 . 1 1 12 12 LEU HA H 12 4.092 4.092 4.059 0.033 25452 744 1 6 . 1 1 12 12 LEU CA C 12 57.320 57.320 57.433 -0.113 25452 745 1 6 . 1 1 12 12 LEU CB C 12 41.383 41.383 42.466 -1.083 25452 746 1 6 . 1 1 12 12 LEU H H 12 8.145 8.145 8.444 -0.299 25452 747 1 6 . 1 1 13 13 TYR HA H 13 4.515 4.515 4.621 -0.106 25452 748 1 6 . 1 1 13 13 TYR CA C 13 57.712 57.712 57.794 -0.081 25452 749 1 6 . 1 1 13 13 TYR CB C 13 39.718 39.718 38.405 1.313 25452 750 1 6 . 1 1 13 13 TYR H H 13 7.616 7.616 7.743 -0.127 25452 751 1 6 . 1 1 14 14 GLY CA C 14 46.708 46.708 46.131 0.577 25452 752 1 6 . 1 1 14 14 GLY H H 14 7.825 7.825 7.913 -0.088 25452 753 1 6 . 1 1 15 15 THR HA H 15 4.690 4.690 4.615 0.075 25452 754 1 6 . 1 1 15 15 THR CA C 15 60.074 60.074 60.294 -0.220 25452 755 1 6 . 1 1 15 15 THR CB C 15 71.665 71.665 71.175 0.490 25452 756 1 6 . 1 1 15 15 THR H H 15 7.618 7.618 7.914 -0.296 25452 757 1 6 . 1 1 16 16 LYS HA H 16 4.556 4.556 4.701 -0.145 25452 758 1 6 . 1 1 16 16 LYS CA C 16 54.782 54.782 56.080 -1.298 25452 759 1 6 . 1 1 16 16 LYS CB C 16 34.305 34.305 33.944 0.361 25452 760 1 6 . 1 1 16 16 LYS H H 16 8.873 8.873 8.799 0.074 25452 761 1 6 . 1 1 17 17 GLY CA C 17 44.600 44.600 44.561 0.039 25452 762 1 6 . 1 1 17 17 GLY H H 17 8.283 8.283 8.172 0.111 25452 763 1 6 . 1 1 18 18 PRO HA H 18 4.579 4.579 4.564 0.015 25452 764 1 6 . 1 1 18 18 PRO CA C 18 62.799 62.799 62.559 0.240 25452 765 1 6 . 1 1 18 18 PRO CB C 18 33.234 33.234 32.895 0.340 25452 766 1 6 . 1 1 19 19 GLY CA C 19 43.985 43.985 44.112 -0.127 25452 767 1 6 . 1 1 19 19 GLY H H 19 8.535 8.535 8.435 0.099 25452 768 1 6 . 1 1 20 20 CYS HA H 20 4.982 4.982 5.111 -0.129 25452 769 1 6 . 1 1 20 20 CYS CA C 20 55.904 55.904 58.593 -2.689 25452 770 1 6 . 1 1 20 20 CYS CB C 20 39.643 39.643 28.971 10.672 25452 771 1 6 . 1 1 20 20 CYS H H 20 9.178 9.178 8.250 0.928 25452 772 1 6 . 1 1 21 21 CYS HA H 21 4.434 4.434 4.297 0.137 25452 773 1 6 . 1 1 21 21 CYS CA C 21 56.857 56.857 59.723 -2.866 25452 774 1 6 . 1 1 21 21 CYS CB C 21 39.151 39.151 27.405 11.746 25452 775 1 6 . 1 1 21 21 CYS H H 21 9.959 9.959 8.982 0.977 25452 776 1 6 . 1 1 22 22 ASN HA H 22 4.831 4.831 4.742 0.089 25452 777 1 6 . 1 1 22 22 ASN CA C 22 52.786 52.786 52.496 0.290 25452 778 1 6 . 1 1 22 22 ASN CB C 22 41.225 41.225 38.408 2.817 25452 779 1 6 . 1 1 22 22 ASN H H 22 8.699 8.699 8.185 0.514 25452 780 1 6 . 1 1 23 23 GLY CA C 23 45.394 45.394 44.715 0.679 25452 781 1 6 . 1 1 23 23 GLY H H 23 8.394 8.394 7.967 0.427 25452 782 1 6 . 1 1 24 24 LYS HA H 24 4.488 4.488 4.594 -0.106 25452 783 1 6 . 1 1 24 24 LYS CA C 24 55.015 55.015 55.489 -0.474 25452 784 1 6 . 1 1 24 24 LYS CB C 24 35.233 35.233 34.881 0.352 25452 785 1 6 . 1 1 24 24 LYS H H 24 8.189 8.189 8.209 -0.020 25452 786 1 6 . 1 1 25 25 CYS HA H 25 4.701 4.701 4.344 0.357 25452 787 1 6 . 1 1 25 25 CYS CA C 25 55.336 55.336 59.712 -4.376 25452 788 1 6 . 1 1 25 25 CYS CB C 25 38.089 38.089 26.888 11.201 25452 789 1 6 . 1 1 25 25 CYS H H 25 8.928 8.928 8.775 0.153 25452 790 1 6 . 1 1 26 26 ILE HA H 26 4.249 4.249 4.177 0.072 25452 791 1 6 . 1 1 26 26 ILE CA C 26 60.017 60.017 59.156 0.861 25452 792 1 6 . 1 1 26 26 ILE CB C 26 38.295 38.295 36.296 1.999 25452 793 1 6 . 1 1 26 26 ILE H H 26 8.272 8.272 8.807 -0.535 25452 794 1 6 . 1 1 27 27 CYS HA H 27 5.292 5.292 4.405 0.887 25452 795 1 6 . 1 1 27 27 CYS CA C 27 54.607 54.607 58.689 -4.082 25452 796 1 6 . 1 1 27 27 CYS CB C 27 46.328 46.328 24.982 21.346 25452 797 1 6 . 1 1 27 27 CYS H H 27 8.782 8.782 8.311 0.471 25452 798 1 6 . 1 1 28 28 ARG HA H 28 4.566 4.566 4.584 -0.018 25452 799 1 6 . 1 1 28 28 ARG CA C 28 55.129 55.129 54.543 0.586 25452 800 1 6 . 1 1 28 28 ARG CB C 28 32.925 32.925 33.880 -0.955 25452 801 1 6 . 1 1 28 28 ARG H H 28 8.644 8.644 8.783 -0.139 25452 802 1 6 . 1 1 29 29 THR HA H 29 4.573 4.573 5.334 -0.761 25452 803 1 6 . 1 1 29 29 THR CA C 29 62.315 62.315 61.256 1.059 25452 804 1 6 . 1 1 29 29 THR CB C 29 69.965 69.965 69.557 0.408 25452 805 1 6 . 1 1 29 29 THR H H 29 8.551 8.551 8.300 0.251 25452 806 1 6 . 1 1 30 30 VAL HA H 30 4.444 4.444 4.745 -0.301 25452 807 1 6 . 1 1 30 30 VAL CA C 30 60.186 60.186 57.863 2.323 25452 808 1 6 . 1 1 30 30 VAL CB C 30 32.749 32.749 34.558 -1.809 25452 809 1 6 . 1 1 30 30 VAL H H 30 8.578 8.578 8.221 0.357 25452 810 1 6 . 1 1 31 31 PRO HA H 31 4.351 4.351 4.194 0.157 25452 811 1 6 . 1 1 31 31 PRO CA C 31 64.468 64.468 64.906 -0.438 25452 812 1 6 . 1 1 31 31 PRO CB C 31 32.294 32.294 31.819 0.475 25452 813 1 6 . 1 1 32 32 ARG HA H 32 4.135 4.135 4.208 -0.073 25452 814 1 6 . 1 1 32 32 ARG CA C 32 57.993 57.993 56.330 1.663 25452 815 1 6 . 1 1 32 32 ARG CB C 32 29.785 29.785 28.793 0.992 25452 816 1 6 . 1 1 32 32 ARG H H 32 8.658 8.658 8.018 0.640 25452 817 1 6 . 1 1 33 33 LYS HA H 33 4.395 4.395 3.977 0.418 25452 818 1 6 . 1 1 33 33 LYS CA C 33 56.622 56.622 57.238 -0.616 25452 819 1 6 . 1 1 33 33 LYS CB C 33 33.815 33.815 29.945 3.870 25452 820 1 6 . 1 1 33 33 LYS H H 33 8.200 8.200 8.576 -0.376 25452 821 1 6 . 1 1 34 34 GLY CA C 34 46.119 46.119 44.861 1.258 25452 822 1 6 . 1 1 34 34 GLY H H 34 8.501 8.501 8.122 0.379 25452 823 1 6 . 1 1 35 35 VAL HA H 35 4.417 4.417 4.075 0.342 25452 824 1 6 . 1 1 35 35 VAL CA C 35 60.474 60.474 59.422 1.052 25452 825 1 6 . 1 1 35 35 VAL CB C 35 34.629 34.629 29.681 4.948 25452 826 1 6 . 1 1 35 35 VAL H H 35 7.317 7.317 7.856 -0.539 25452 827 1 6 . 1 1 36 36 ASN HA H 36 5.145 5.145 4.425 0.720 25452 828 1 6 . 1 1 36 36 ASN CA C 36 53.013 53.013 54.034 -1.021 25452 829 1 6 . 1 1 36 36 ASN CB C 36 40.500 40.500 37.763 2.737 25452 830 1 6 . 1 1 36 36 ASN H H 36 8.789 8.789 8.343 0.446 25452 831 1 6 . 1 1 37 37 SER HA H 37 4.656 4.656 4.519 0.137 25452 832 1 6 . 1 1 37 37 SER CA C 37 57.429 57.429 58.978 -1.549 25452 833 1 6 . 1 1 37 37 SER CB C 37 64.251 64.251 63.665 0.586 25452 834 1 6 . 1 1 37 37 SER H H 37 8.774 8.774 8.051 0.723 25452 835 1 6 . 1 1 38 38 CYS HA H 38 5.566 5.566 4.814 0.752 25452 836 1 6 . 1 1 38 38 CYS CA C 38 55.624 55.624 58.148 -2.524 25452 837 1 6 . 1 1 38 38 CYS CB C 38 48.350 48.350 26.261 22.089 25452 838 1 6 . 1 1 38 38 CYS H H 38 8.973 8.973 8.849 0.124 25452 839 1 6 . 1 1 39 39 ARG HA H 39 5.120 5.120 4.794 0.326 25452 840 1 6 . 1 1 39 39 ARG CA C 39 54.635 54.635 54.535 0.100 25452 841 1 6 . 1 1 39 39 ARG CB C 39 36.013 36.013 32.809 3.204 25452 842 1 6 . 1 1 39 39 ARG H H 39 8.787 8.787 8.419 0.368 25452 843 1 6 . 1 1 40 40 CYS HA H 40 4.925 4.925 4.486 0.439 25452 844 1 6 . 1 1 40 40 CYS CA C 40 56.037 56.037 61.294 -5.257 25452 845 1 6 . 1 1 40 40 CYS CB C 40 39.651 39.651 25.704 13.947 25452 846 1 6 . 1 1 40 40 CYS H H 40 8.580 8.580 8.805 -0.225 25452 847 1 7 . 1 1 2 2 ALA HA H 2 4.738 4.738 4.454 0.284 25452 848 1 7 . 1 1 2 2 ALA CA C 2 51.709 51.709 51.746 -0.037 25452 849 1 7 . 1 1 2 2 ALA CB C 2 21.586 21.586 19.908 1.678 25452 850 1 7 . 1 1 2 2 ALA H H 2 9.549 9.549 8.557 0.992 25452 851 1 7 . 1 1 3 3 SER HA H 3 4.413 4.413 4.509 -0.096 25452 852 1 7 . 1 1 3 3 SER CA C 3 58.103 58.103 57.519 0.584 25452 853 1 7 . 1 1 3 3 SER CB C 3 64.407 64.407 64.205 0.202 25452 854 1 7 . 1 1 3 3 SER H H 3 9.174 9.174 8.700 0.474 25452 855 1 7 . 1 1 4 4 LYS HA H 4 3.751 3.751 3.983 -0.232 25452 856 1 7 . 1 1 4 4 LYS CA C 4 59.020 59.020 58.677 0.343 25452 857 1 7 . 1 1 4 4 LYS H H 4 8.275 8.275 8.443 -0.168 25452 858 1 7 . 1 1 5 5 ASN HA H 5 4.366 4.366 4.534 -0.168 25452 859 1 7 . 1 1 5 5 ASN CA C 5 55.761 55.761 54.512 1.249 25452 860 1 7 . 1 1 5 5 ASN CB C 5 38.046 38.046 37.995 0.051 25452 861 1 7 . 1 1 5 5 ASN H H 5 9.046 9.046 8.614 0.432 25452 862 1 7 . 1 1 6 6 GLU HA H 6 4.461 4.461 4.453 0.008 25452 863 1 7 . 1 1 6 6 GLU CA C 6 55.983 55.983 54.984 0.999 25452 864 1 7 . 1 1 6 6 GLU CB C 6 31.173 31.173 31.685 -0.512 25452 865 1 7 . 1 1 6 6 GLU H H 6 8.024 8.024 7.836 0.188 25452 866 1 7 . 1 1 7 7 ARG HA H 7 4.641 4.641 4.458 0.183 25452 867 1 7 . 1 1 7 7 ARG CA C 7 57.262 57.262 55.997 1.265 25452 868 1 7 . 1 1 7 7 ARG CB C 7 30.703 30.703 29.331 1.372 25452 869 1 7 . 1 1 7 7 ARG H H 7 8.466 8.466 8.417 0.049 25452 870 1 7 . 1 1 8 8 CYS HA H 8 5.089 5.089 5.377 -0.288 25452 871 1 7 . 1 1 8 8 CYS CA C 8 52.465 52.465 56.255 -3.790 25452 872 1 7 . 1 1 8 8 CYS CB C 8 48.107 48.107 30.793 17.314 25452 873 1 7 . 1 1 8 8 CYS H H 8 7.408 7.408 8.348 -0.940 25452 874 1 7 . 1 1 9 9 GLY CA C 9 43.986 43.986 44.199 -0.213 25452 875 1 7 . 1 1 9 9 GLY H H 9 8.194 8.194 8.393 -0.199 25452 876 1 7 . 1 1 10 10 ASN HA H 10 4.715 4.715 4.933 -0.218 25452 877 1 7 . 1 1 10 10 ASN CA C 10 52.895 52.895 53.113 -0.218 25452 878 1 7 . 1 1 10 10 ASN CB C 10 42.114 42.114 41.394 0.720 25452 879 1 7 . 1 1 10 10 ASN H H 10 8.083 8.083 8.265 -0.182 25452 880 1 7 . 1 1 11 11 ALA HA H 11 4.194 4.194 4.186 0.008 25452 881 1 7 . 1 1 11 11 ALA CA C 11 55.288 55.288 54.732 0.556 25452 882 1 7 . 1 1 11 11 ALA CB C 11 18.639 18.639 18.741 -0.102 25452 883 1 7 . 1 1 11 11 ALA H H 11 9.249 9.249 8.935 0.314 25452 884 1 7 . 1 1 12 12 LEU HA H 12 4.092 4.092 4.002 0.090 25452 885 1 7 . 1 1 12 12 LEU CA C 12 57.320 57.320 57.560 -0.240 25452 886 1 7 . 1 1 12 12 LEU CB C 12 41.383 41.383 42.435 -1.052 25452 887 1 7 . 1 1 12 12 LEU H H 12 8.145 8.145 8.594 -0.449 25452 888 1 7 . 1 1 13 13 TYR HA H 13 4.515 4.515 4.629 -0.114 25452 889 1 7 . 1 1 13 13 TYR CA C 13 57.712 57.712 58.136 -0.424 25452 890 1 7 . 1 1 13 13 TYR CB C 13 39.718 39.718 38.926 0.792 25452 891 1 7 . 1 1 13 13 TYR H H 13 7.616 7.616 7.875 -0.259 25452 892 1 7 . 1 1 14 14 GLY CA C 14 46.708 46.708 45.265 1.443 25452 893 1 7 . 1 1 14 14 GLY H H 14 7.825 7.825 7.896 -0.071 25452 894 1 7 . 1 1 15 15 THR HA H 15 4.690 4.690 4.620 0.070 25452 895 1 7 . 1 1 15 15 THR CA C 15 60.074 60.074 60.614 -0.540 25452 896 1 7 . 1 1 15 15 THR CB C 15 71.665 71.665 70.504 1.161 25452 897 1 7 . 1 1 15 15 THR H H 15 7.618 7.618 7.976 -0.358 25452 898 1 7 . 1 1 16 16 LYS HA H 16 4.556 4.556 4.543 0.013 25452 899 1 7 . 1 1 16 16 LYS CA C 16 54.782 54.782 55.229 -0.447 25452 900 1 7 . 1 1 16 16 LYS CB C 16 34.305 34.305 31.190 3.115 25452 901 1 7 . 1 1 16 16 LYS H H 16 8.873 8.873 8.470 0.403 25452 902 1 7 . 1 1 17 17 GLY CA C 17 44.600 44.600 43.449 1.151 25452 903 1 7 . 1 1 17 17 GLY H H 17 8.283 8.283 7.397 0.886 25452 904 1 7 . 1 1 18 18 PRO HA H 18 4.579 4.579 4.415 0.164 25452 905 1 7 . 1 1 18 18 PRO CA C 18 62.799 62.799 62.782 0.017 25452 906 1 7 . 1 1 18 18 PRO CB C 18 33.234 33.234 33.054 0.180 25452 907 1 7 . 1 1 19 19 GLY CA C 19 43.985 43.985 43.632 0.353 25452 908 1 7 . 1 1 19 19 GLY H H 19 8.535 8.535 8.443 0.092 25452 909 1 7 . 1 1 20 20 CYS HA H 20 4.982 4.982 4.498 0.484 25452 910 1 7 . 1 1 20 20 CYS CA C 20 55.904 55.904 60.049 -4.145 25452 911 1 7 . 1 1 20 20 CYS CB C 20 39.643 39.643 25.926 13.717 25452 912 1 7 . 1 1 20 20 CYS H H 20 9.178 9.178 8.837 0.341 25452 913 1 7 . 1 1 21 21 CYS HA H 21 4.434 4.434 4.241 0.193 25452 914 1 7 . 1 1 21 21 CYS CA C 21 56.857 56.857 60.799 -3.942 25452 915 1 7 . 1 1 21 21 CYS CB C 21 39.151 39.151 27.344 11.807 25452 916 1 7 . 1 1 21 21 CYS H H 21 9.959 9.959 8.962 0.997 25452 917 1 7 . 1 1 22 22 ASN HA H 22 4.831 4.831 4.742 0.089 25452 918 1 7 . 1 1 22 22 ASN CA C 22 52.786 52.786 52.814 -0.028 25452 919 1 7 . 1 1 22 22 ASN CB C 22 41.225 41.225 38.178 3.047 25452 920 1 7 . 1 1 22 22 ASN H H 22 8.699 8.699 8.178 0.521 25452 921 1 7 . 1 1 23 23 GLY CA C 23 45.394 45.394 45.075 0.319 25452 922 1 7 . 1 1 23 23 GLY H H 23 8.394 8.394 8.023 0.371 25452 923 1 7 . 1 1 24 24 LYS HA H 24 4.488 4.488 4.510 -0.022 25452 924 1 7 . 1 1 24 24 LYS CA C 24 55.015 55.015 55.707 -0.692 25452 925 1 7 . 1 1 24 24 LYS CB C 24 35.233 35.233 34.391 0.842 25452 926 1 7 . 1 1 24 24 LYS H H 24 8.189 8.189 8.236 -0.047 25452 927 1 7 . 1 1 25 25 CYS HA H 25 4.701 4.701 4.402 0.299 25452 928 1 7 . 1 1 25 25 CYS CA C 25 55.336 55.336 59.337 -4.001 25452 929 1 7 . 1 1 25 25 CYS CB C 25 38.089 38.089 26.588 11.501 25452 930 1 7 . 1 1 25 25 CYS H H 25 8.928 8.928 8.849 0.079 25452 931 1 7 . 1 1 26 26 ILE HA H 26 4.249 4.249 4.124 0.125 25452 932 1 7 . 1 1 26 26 ILE CA C 26 60.017 60.017 59.614 0.403 25452 933 1 7 . 1 1 26 26 ILE CB C 26 38.295 38.295 35.571 2.724 25452 934 1 7 . 1 1 26 26 ILE H H 26 8.272 8.272 8.945 -0.673 25452 935 1 7 . 1 1 27 27 CYS HA H 27 5.292 5.292 4.574 0.718 25452 936 1 7 . 1 1 27 27 CYS CA C 27 54.607 54.607 58.345 -3.738 25452 937 1 7 . 1 1 27 27 CYS CB C 27 46.328 46.328 26.544 19.784 25452 938 1 7 . 1 1 27 27 CYS H H 27 8.782 8.782 8.340 0.442 25452 939 1 7 . 1 1 28 28 ARG HA H 28 4.566 4.566 4.710 -0.144 25452 940 1 7 . 1 1 28 28 ARG CA C 28 55.129 55.129 55.094 0.035 25452 941 1 7 . 1 1 28 28 ARG CB C 28 32.925 32.925 34.302 -1.377 25452 942 1 7 . 1 1 28 28 ARG H H 28 8.644 8.644 8.459 0.185 25452 943 1 7 . 1 1 29 29 THR HA H 29 4.573 4.573 4.974 -0.401 25452 944 1 7 . 1 1 29 29 THR CA C 29 62.315 62.315 60.862 1.453 25452 945 1 7 . 1 1 29 29 THR CB C 29 69.965 69.965 69.957 0.008 25452 946 1 7 . 1 1 29 29 THR H H 29 8.551 8.551 8.305 0.246 25452 947 1 7 . 1 1 30 30 VAL HA H 30 4.444 4.444 4.479 -0.035 25452 948 1 7 . 1 1 30 30 VAL CA C 30 60.186 60.186 59.022 1.164 25452 949 1 7 . 1 1 30 30 VAL CB C 30 32.749 32.749 34.717 -1.968 25452 950 1 7 . 1 1 30 30 VAL H H 30 8.578 8.578 8.477 0.101 25452 951 1 7 . 1 1 31 31 PRO HA H 31 4.351 4.351 4.234 0.117 25452 952 1 7 . 1 1 31 31 PRO CA C 31 64.468 64.468 64.916 -0.448 25452 953 1 7 . 1 1 31 31 PRO CB C 31 32.294 32.294 31.877 0.417 25452 954 1 7 . 1 1 32 32 ARG HA H 32 4.135 4.135 4.177 -0.042 25452 955 1 7 . 1 1 32 32 ARG CA C 32 57.993 57.993 56.248 1.745 25452 956 1 7 . 1 1 32 32 ARG CB C 32 29.785 29.785 28.819 0.966 25452 957 1 7 . 1 1 32 32 ARG H H 32 8.658 8.658 7.988 0.670 25452 958 1 7 . 1 1 33 33 LYS HA H 33 4.395 4.395 3.973 0.422 25452 959 1 7 . 1 1 33 33 LYS CA C 33 56.622 56.622 57.352 -0.730 25452 960 1 7 . 1 1 33 33 LYS CB C 33 33.815 33.815 29.194 4.621 25452 961 1 7 . 1 1 33 33 LYS H H 33 8.200 8.200 8.410 -0.210 25452 962 1 7 . 1 1 34 34 GLY CA C 34 46.119 46.119 44.432 1.687 25452 963 1 7 . 1 1 34 34 GLY H H 34 8.501 8.501 8.330 0.171 25452 964 1 7 . 1 1 35 35 VAL HA H 35 4.417 4.417 4.047 0.370 25452 965 1 7 . 1 1 35 35 VAL CA C 35 60.474 60.474 61.112 -0.638 25452 966 1 7 . 1 1 35 35 VAL CB C 35 34.629 34.629 30.811 3.818 25452 967 1 7 . 1 1 35 35 VAL H H 35 7.317 7.317 7.959 -0.642 25452 968 1 7 . 1 1 36 36 ASN HA H 36 5.145 5.145 4.326 0.819 25452 969 1 7 . 1 1 36 36 ASN CA C 36 53.013 53.013 54.039 -1.026 25452 970 1 7 . 1 1 36 36 ASN CB C 36 40.500 40.500 36.178 4.322 25452 971 1 7 . 1 1 36 36 ASN H H 36 8.789 8.789 8.360 0.429 25452 972 1 7 . 1 1 37 37 SER HA H 37 4.656 4.656 4.493 0.163 25452 973 1 7 . 1 1 37 37 SER CA C 37 57.429 57.429 58.294 -0.865 25452 974 1 7 . 1 1 37 37 SER CB C 37 64.251 64.251 63.461 0.790 25452 975 1 7 . 1 1 37 37 SER H H 37 8.774 8.774 8.039 0.735 25452 976 1 7 . 1 1 38 38 CYS HA H 38 5.566 5.566 4.888 0.678 25452 977 1 7 . 1 1 38 38 CYS CA C 38 55.624 55.624 57.794 -2.170 25452 978 1 7 . 1 1 38 38 CYS CB C 38 48.350 48.350 27.497 20.853 25452 979 1 7 . 1 1 38 38 CYS H H 38 8.973 8.973 8.764 0.209 25452 980 1 7 . 1 1 39 39 ARG HA H 39 5.120 5.120 5.101 0.019 25452 981 1 7 . 1 1 39 39 ARG CA C 39 54.635 54.635 53.569 1.066 25452 982 1 7 . 1 1 39 39 ARG CB C 39 36.013 36.013 31.840 4.173 25452 983 1 7 . 1 1 39 39 ARG H H 39 8.787 8.787 8.357 0.430 25452 984 1 7 . 1 1 40 40 CYS HA H 40 4.925 4.925 4.317 0.608 25452 985 1 7 . 1 1 40 40 CYS CA C 40 56.037 56.037 61.535 -5.498 25452 986 1 7 . 1 1 40 40 CYS CB C 40 39.651 39.651 25.034 14.617 25452 987 1 7 . 1 1 40 40 CYS H H 40 8.580 8.580 8.590 -0.010 25452 988 1 8 . 1 1 2 2 ALA HA H 2 4.738 4.738 4.652 0.086 25452 989 1 8 . 1 1 2 2 ALA CA C 2 51.709 51.709 51.602 0.107 25452 990 1 8 . 1 1 2 2 ALA CB C 2 21.586 21.586 19.860 1.726 25452 991 1 8 . 1 1 2 2 ALA H H 2 9.549 9.549 8.593 0.956 25452 992 1 8 . 1 1 3 3 SER HA H 3 4.413 4.413 4.452 -0.039 25452 993 1 8 . 1 1 3 3 SER CA C 3 58.103 58.103 56.737 1.366 25452 994 1 8 . 1 1 3 3 SER CB C 3 64.407 64.407 64.360 0.047 25452 995 1 8 . 1 1 3 3 SER H H 3 9.174 9.174 8.537 0.637 25452 996 1 8 . 1 1 4 4 LYS HA H 4 3.751 3.751 4.002 -0.251 25452 997 1 8 . 1 1 4 4 LYS CA C 4 59.020 59.020 57.890 1.130 25452 998 1 8 . 1 1 4 4 LYS H H 4 8.275 8.275 8.502 -0.227 25452 999 1 8 . 1 1 5 5 ASN HA H 5 4.366 4.366 4.347 0.019 25452 1000 1 8 . 1 1 5 5 ASN CA C 5 55.761 55.761 54.979 0.782 25452 1001 1 8 . 1 1 5 5 ASN CB C 5 38.046 38.046 38.099 -0.053 25452 1002 1 8 . 1 1 5 5 ASN H H 5 9.046 9.046 8.783 0.263 25452 1003 1 8 . 1 1 6 6 GLU HA H 6 4.461 4.461 4.504 -0.043 25452 1004 1 8 . 1 1 6 6 GLU CA C 6 55.983 55.983 54.723 1.260 25452 1005 1 8 . 1 1 6 6 GLU CB C 6 31.173 31.173 30.848 0.325 25452 1006 1 8 . 1 1 6 6 GLU H H 6 8.024 8.024 7.628 0.396 25452 1007 1 8 . 1 1 7 7 ARG HA H 7 4.641 4.641 4.364 0.277 25452 1008 1 8 . 1 1 7 7 ARG CA C 7 57.262 57.262 57.066 0.196 25452 1009 1 8 . 1 1 7 7 ARG CB C 7 30.703 30.703 30.415 0.288 25452 1010 1 8 . 1 1 7 7 ARG H H 7 8.466 8.466 8.522 -0.056 25452 1011 1 8 . 1 1 8 8 CYS HA H 8 5.089 5.089 5.432 -0.343 25452 1012 1 8 . 1 1 8 8 CYS CA C 8 52.465 52.465 55.746 -3.281 25452 1013 1 8 . 1 1 8 8 CYS CB C 8 48.107 48.107 31.317 16.790 25452 1014 1 8 . 1 1 8 8 CYS H H 8 7.408 7.408 8.382 -0.974 25452 1015 1 8 . 1 1 9 9 GLY CA C 9 43.986 43.986 44.042 -0.056 25452 1016 1 8 . 1 1 9 9 GLY H H 9 8.194 8.194 8.660 -0.466 25452 1017 1 8 . 1 1 10 10 ASN HA H 10 4.715 4.715 4.921 -0.206 25452 1018 1 8 . 1 1 10 10 ASN CA C 10 52.895 52.895 52.892 0.003 25452 1019 1 8 . 1 1 10 10 ASN CB C 10 42.114 42.114 41.227 0.887 25452 1020 1 8 . 1 1 10 10 ASN H H 10 8.083 8.083 8.306 -0.223 25452 1021 1 8 . 1 1 11 11 ALA HA H 11 4.194 4.194 4.184 0.010 25452 1022 1 8 . 1 1 11 11 ALA CA C 11 55.288 55.288 54.703 0.585 25452 1023 1 8 . 1 1 11 11 ALA CB C 11 18.639 18.639 19.058 -0.419 25452 1024 1 8 . 1 1 11 11 ALA H H 11 9.249 9.249 8.931 0.318 25452 1025 1 8 . 1 1 12 12 LEU HA H 12 4.092 4.092 4.021 0.071 25452 1026 1 8 . 1 1 12 12 LEU CA C 12 57.320 57.320 57.303 0.016 25452 1027 1 8 . 1 1 12 12 LEU CB C 12 41.383 41.383 42.005 -0.622 25452 1028 1 8 . 1 1 12 12 LEU H H 12 8.145 8.145 8.549 -0.404 25452 1029 1 8 . 1 1 13 13 TYR HA H 13 4.515 4.515 4.604 -0.089 25452 1030 1 8 . 1 1 13 13 TYR CA C 13 57.712 57.712 57.517 0.195 25452 1031 1 8 . 1 1 13 13 TYR CB C 13 39.718 39.718 38.461 1.257 25452 1032 1 8 . 1 1 13 13 TYR H H 13 7.616 7.616 7.725 -0.109 25452 1033 1 8 . 1 1 14 14 GLY CA C 14 46.708 46.708 46.086 0.622 25452 1034 1 8 . 1 1 14 14 GLY H H 14 7.825 7.825 8.028 -0.203 25452 1035 1 8 . 1 1 15 15 THR HA H 15 4.690 4.690 4.645 0.045 25452 1036 1 8 . 1 1 15 15 THR CA C 15 60.074 60.074 60.394 -0.320 25452 1037 1 8 . 1 1 15 15 THR CB C 15 71.665 71.665 70.751 0.914 25452 1038 1 8 . 1 1 15 15 THR H H 15 7.618 7.618 7.929 -0.311 25452 1039 1 8 . 1 1 16 16 LYS HA H 16 4.556 4.556 4.660 -0.104 25452 1040 1 8 . 1 1 16 16 LYS CA C 16 54.782 54.782 55.789 -1.007 25452 1041 1 8 . 1 1 16 16 LYS CB C 16 34.305 34.305 32.266 2.039 25452 1042 1 8 . 1 1 16 16 LYS H H 16 8.873 8.873 8.822 0.051 25452 1043 1 8 . 1 1 17 17 GLY CA C 17 44.600 44.600 44.822 -0.222 25452 1044 1 8 . 1 1 17 17 GLY H H 17 8.283 8.283 8.368 -0.085 25452 1045 1 8 . 1 1 18 18 PRO HA H 18 4.579 4.579 4.511 0.068 25452 1046 1 8 . 1 1 18 18 PRO CA C 18 62.799 62.799 62.703 0.096 25452 1047 1 8 . 1 1 18 18 PRO CB C 18 33.234 33.234 32.952 0.282 25452 1048 1 8 . 1 1 19 19 GLY CA C 19 43.985 43.985 43.601 0.384 25452 1049 1 8 . 1 1 19 19 GLY H H 19 8.535 8.535 8.434 0.101 25452 1050 1 8 . 1 1 20 20 CYS HA H 20 4.982 4.982 4.636 0.346 25452 1051 1 8 . 1 1 20 20 CYS CA C 20 55.904 55.904 60.213 -4.309 25452 1052 1 8 . 1 1 20 20 CYS CB C 20 39.643 39.643 26.340 13.303 25452 1053 1 8 . 1 1 20 20 CYS H H 20 9.178 9.178 8.747 0.431 25452 1054 1 8 . 1 1 21 21 CYS HA H 21 4.434 4.434 4.243 0.191 25452 1055 1 8 . 1 1 21 21 CYS CA C 21 56.857 56.857 60.837 -3.981 25452 1056 1 8 . 1 1 21 21 CYS CB C 21 39.151 39.151 27.921 11.230 25452 1057 1 8 . 1 1 21 21 CYS H H 21 9.959 9.959 8.866 1.093 25452 1058 1 8 . 1 1 22 22 ASN HA H 22 4.831 4.831 4.812 0.019 25452 1059 1 8 . 1 1 22 22 ASN CA C 22 52.786 52.786 53.636 -0.850 25452 1060 1 8 . 1 1 22 22 ASN CB C 22 41.225 41.225 40.066 1.159 25452 1061 1 8 . 1 1 22 22 ASN H H 22 8.699 8.699 8.276 0.423 25452 1062 1 8 . 1 1 23 23 GLY CA C 23 45.394 45.394 45.012 0.382 25452 1063 1 8 . 1 1 23 23 GLY H H 23 8.394 8.394 8.201 0.193 25452 1064 1 8 . 1 1 24 24 LYS HA H 24 4.488 4.488 4.614 -0.126 25452 1065 1 8 . 1 1 24 24 LYS CA C 24 55.015 55.015 55.811 -0.796 25452 1066 1 8 . 1 1 24 24 LYS CB C 24 35.233 35.233 35.786 -0.553 25452 1067 1 8 . 1 1 24 24 LYS H H 24 8.189 8.189 8.195 -0.006 25452 1068 1 8 . 1 1 25 25 CYS HA H 25 4.701 4.701 5.041 -0.340 25452 1069 1 8 . 1 1 25 25 CYS CA C 25 55.336 55.336 58.397 -3.061 25452 1070 1 8 . 1 1 25 25 CYS CB C 25 38.089 38.089 28.245 9.844 25452 1071 1 8 . 1 1 25 25 CYS H H 25 8.928 8.928 8.399 0.529 25452 1072 1 8 . 1 1 26 26 ILE HA H 26 4.249 4.249 4.454 -0.205 25452 1073 1 8 . 1 1 26 26 ILE CA C 26 60.017 60.017 59.358 0.659 25452 1074 1 8 . 1 1 26 26 ILE CB C 26 38.295 38.295 40.750 -2.455 25452 1075 1 8 . 1 1 26 26 ILE H H 26 8.272 8.272 8.791 -0.519 25452 1076 1 8 . 1 1 27 27 CYS HA H 27 5.292 5.292 4.503 0.789 25452 1077 1 8 . 1 1 27 27 CYS CA C 27 54.607 54.607 58.536 -3.929 25452 1078 1 8 . 1 1 27 27 CYS CB C 27 46.328 46.328 26.414 19.914 25452 1079 1 8 . 1 1 27 27 CYS H H 27 8.782 8.782 8.666 0.116 25452 1080 1 8 . 1 1 28 28 ARG HA H 28 4.566 4.566 4.659 -0.093 25452 1081 1 8 . 1 1 28 28 ARG CA C 28 55.129 55.129 55.436 -0.307 25452 1082 1 8 . 1 1 28 28 ARG CB C 28 32.925 32.925 34.317 -1.392 25452 1083 1 8 . 1 1 28 28 ARG H H 28 8.644 8.644 8.271 0.373 25452 1084 1 8 . 1 1 29 29 THR HA H 29 4.573 4.573 5.282 -0.709 25452 1085 1 8 . 1 1 29 29 THR CA C 29 62.315 62.315 61.337 0.978 25452 1086 1 8 . 1 1 29 29 THR CB C 29 69.965 69.965 70.201 -0.236 25452 1087 1 8 . 1 1 29 29 THR H H 29 8.551 8.551 8.313 0.238 25452 1088 1 8 . 1 1 30 30 VAL HA H 30 4.444 4.444 4.579 -0.135 25452 1089 1 8 . 1 1 30 30 VAL CA C 30 60.186 60.186 58.961 1.225 25452 1090 1 8 . 1 1 30 30 VAL CB C 30 32.749 32.749 34.863 -2.114 25452 1091 1 8 . 1 1 30 30 VAL H H 30 8.578 8.578 8.545 0.033 25452 1092 1 8 . 1 1 31 31 PRO HA H 31 4.351 4.351 4.204 0.147 25452 1093 1 8 . 1 1 31 31 PRO CA C 31 64.468 64.468 64.853 -0.385 25452 1094 1 8 . 1 1 31 31 PRO CB C 31 32.294 32.294 31.862 0.432 25452 1095 1 8 . 1 1 32 32 ARG HA H 32 4.135 4.135 4.196 -0.061 25452 1096 1 8 . 1 1 32 32 ARG CA C 32 57.993 57.993 56.380 1.613 25452 1097 1 8 . 1 1 32 32 ARG CB C 32 29.785 29.785 28.857 0.928 25452 1098 1 8 . 1 1 32 32 ARG H H 32 8.658 8.658 8.115 0.543 25452 1099 1 8 . 1 1 33 33 LYS HA H 33 4.395 4.395 3.977 0.418 25452 1100 1 8 . 1 1 33 33 LYS CA C 33 56.622 56.622 57.187 -0.565 25452 1101 1 8 . 1 1 33 33 LYS CB C 33 33.815 33.815 29.412 4.403 25452 1102 1 8 . 1 1 33 33 LYS H H 33 8.200 8.200 8.524 -0.324 25452 1103 1 8 . 1 1 34 34 GLY CA C 34 46.119 46.119 44.472 1.647 25452 1104 1 8 . 1 1 34 34 GLY H H 34 8.501 8.501 8.133 0.368 25452 1105 1 8 . 1 1 35 35 VAL HA H 35 4.417 4.417 3.989 0.428 25452 1106 1 8 . 1 1 35 35 VAL CA C 35 60.474 60.474 60.938 -0.464 25452 1107 1 8 . 1 1 35 35 VAL CB C 35 34.629 34.629 30.201 4.428 25452 1108 1 8 . 1 1 35 35 VAL H H 35 7.317 7.317 7.828 -0.511 25452 1109 1 8 . 1 1 36 36 ASN HA H 36 5.145 5.145 4.508 0.637 25452 1110 1 8 . 1 1 36 36 ASN CA C 36 53.013 53.013 54.049 -1.036 25452 1111 1 8 . 1 1 36 36 ASN CB C 36 40.500 40.500 37.828 2.672 25452 1112 1 8 . 1 1 36 36 ASN H H 36 8.789 8.789 8.202 0.587 25452 1113 1 8 . 1 1 37 37 SER HA H 37 4.656 4.656 4.542 0.114 25452 1114 1 8 . 1 1 37 37 SER CA C 37 57.429 57.429 58.061 -0.632 25452 1115 1 8 . 1 1 37 37 SER CB C 37 64.251 64.251 63.090 1.161 25452 1116 1 8 . 1 1 37 37 SER H H 37 8.774 8.774 8.033 0.741 25452 1117 1 8 . 1 1 38 38 CYS HA H 38 5.566 5.566 5.014 0.552 25452 1118 1 8 . 1 1 38 38 CYS CA C 38 55.624 55.624 57.849 -2.225 25452 1119 1 8 . 1 1 38 38 CYS CB C 38 48.350 48.350 27.831 20.519 25452 1120 1 8 . 1 1 38 38 CYS H H 38 8.973 8.973 8.561 0.412 25452 1121 1 8 . 1 1 39 39 ARG HA H 39 5.120 5.120 4.987 0.133 25452 1122 1 8 . 1 1 39 39 ARG CA C 39 54.635 54.635 52.668 1.967 25452 1123 1 8 . 1 1 39 39 ARG CB C 39 36.013 36.013 32.876 3.137 25452 1124 1 8 . 1 1 39 39 ARG H H 39 8.787 8.787 8.561 0.226 25452 1125 1 8 . 1 1 40 40 CYS HA H 40 4.925 4.925 4.953 -0.028 25452 1126 1 8 . 1 1 40 40 CYS CA C 40 56.037 56.037 59.911 -3.874 25452 1127 1 8 . 1 1 40 40 CYS CB C 40 39.651 39.651 27.863 11.788 25452 1128 1 8 . 1 1 40 40 CYS H H 40 8.580 8.580 8.399 0.181 25452 1129 1 9 . 1 1 2 2 ALA HA H 2 4.738 4.738 4.437 0.301 25452 1130 1 9 . 1 1 2 2 ALA CA C 2 51.709 51.709 51.744 -0.035 25452 1131 1 9 . 1 1 2 2 ALA CB C 2 21.586 21.586 20.066 1.520 25452 1132 1 9 . 1 1 2 2 ALA H H 2 9.549 9.549 8.353 1.196 25452 1133 1 9 . 1 1 3 3 SER HA H 3 4.413 4.413 4.627 -0.214 25452 1134 1 9 . 1 1 3 3 SER CA C 3 58.103 58.103 57.067 1.036 25452 1135 1 9 . 1 1 3 3 SER CB C 3 64.407 64.407 65.414 -1.007 25452 1136 1 9 . 1 1 3 3 SER H H 3 9.174 9.174 8.444 0.730 25452 1137 1 9 . 1 1 4 4 LYS HA H 4 3.751 3.751 3.979 -0.228 25452 1138 1 9 . 1 1 4 4 LYS CA C 4 59.020 59.020 58.396 0.624 25452 1139 1 9 . 1 1 4 4 LYS H H 4 8.275 8.275 8.374 -0.099 25452 1140 1 9 . 1 1 5 5 ASN HA H 5 4.366 4.366 4.413 -0.047 25452 1141 1 9 . 1 1 5 5 ASN CA C 5 55.761 55.761 55.022 0.739 25452 1142 1 9 . 1 1 5 5 ASN CB C 5 38.046 38.046 37.952 0.094 25452 1143 1 9 . 1 1 5 5 ASN H H 5 9.046 9.046 8.845 0.201 25452 1144 1 9 . 1 1 6 6 GLU HA H 6 4.461 4.461 4.541 -0.080 25452 1145 1 9 . 1 1 6 6 GLU CA C 6 55.983 55.983 54.794 1.189 25452 1146 1 9 . 1 1 6 6 GLU CB C 6 31.173 31.173 31.245 -0.072 25452 1147 1 9 . 1 1 6 6 GLU H H 6 8.024 8.024 7.653 0.371 25452 1148 1 9 . 1 1 7 7 ARG HA H 7 4.641 4.641 4.348 0.293 25452 1149 1 9 . 1 1 7 7 ARG CA C 7 57.262 57.262 57.733 -0.471 25452 1150 1 9 . 1 1 7 7 ARG CB C 7 30.703 30.703 30.420 0.283 25452 1151 1 9 . 1 1 7 7 ARG H H 7 8.466 8.466 8.546 -0.080 25452 1152 1 9 . 1 1 8 8 CYS HA H 8 5.089 5.089 5.194 -0.105 25452 1153 1 9 . 1 1 8 8 CYS CA C 8 52.465 52.465 55.906 -3.441 25452 1154 1 9 . 1 1 8 8 CYS CB C 8 48.107 48.107 31.442 16.665 25452 1155 1 9 . 1 1 8 8 CYS H H 8 7.408 7.408 8.383 -0.975 25452 1156 1 9 . 1 1 9 9 GLY CA C 9 43.986 43.986 44.022 -0.036 25452 1157 1 9 . 1 1 9 9 GLY H H 9 8.194 8.194 8.560 -0.366 25452 1158 1 9 . 1 1 10 10 ASN HA H 10 4.715 4.715 4.842 -0.127 25452 1159 1 9 . 1 1 10 10 ASN CA C 10 52.895 52.895 52.812 0.083 25452 1160 1 9 . 1 1 10 10 ASN CB C 10 42.114 42.114 41.404 0.710 25452 1161 1 9 . 1 1 10 10 ASN H H 10 8.083 8.083 8.179 -0.096 25452 1162 1 9 . 1 1 11 11 ALA HA H 11 4.194 4.194 4.168 0.026 25452 1163 1 9 . 1 1 11 11 ALA CA C 11 55.288 55.288 54.719 0.569 25452 1164 1 9 . 1 1 11 11 ALA CB C 11 18.639 18.639 19.061 -0.422 25452 1165 1 9 . 1 1 11 11 ALA H H 11 9.249 9.249 8.917 0.332 25452 1166 1 9 . 1 1 12 12 LEU HA H 12 4.092 4.092 4.013 0.079 25452 1167 1 9 . 1 1 12 12 LEU CA C 12 57.320 57.320 57.335 -0.015 25452 1168 1 9 . 1 1 12 12 LEU CB C 12 41.383 41.383 41.983 -0.600 25452 1169 1 9 . 1 1 12 12 LEU H H 12 8.145 8.145 8.452 -0.307 25452 1170 1 9 . 1 1 13 13 TYR HA H 13 4.515 4.515 4.590 -0.075 25452 1171 1 9 . 1 1 13 13 TYR CA C 13 57.712 57.712 57.615 0.097 25452 1172 1 9 . 1 1 13 13 TYR CB C 13 39.718 39.718 38.446 1.272 25452 1173 1 9 . 1 1 13 13 TYR H H 13 7.616 7.616 7.780 -0.164 25452 1174 1 9 . 1 1 14 14 GLY CA C 14 46.708 46.708 45.949 0.759 25452 1175 1 9 . 1 1 14 14 GLY H H 14 7.825 7.825 8.043 -0.218 25452 1176 1 9 . 1 1 15 15 THR HA H 15 4.690 4.690 4.621 0.069 25452 1177 1 9 . 1 1 15 15 THR CA C 15 60.074 60.074 60.717 -0.643 25452 1178 1 9 . 1 1 15 15 THR CB C 15 71.665 71.665 70.502 1.163 25452 1179 1 9 . 1 1 15 15 THR H H 15 7.618 7.618 7.913 -0.295 25452 1180 1 9 . 1 1 16 16 LYS HA H 16 4.556 4.556 4.545 0.011 25452 1181 1 9 . 1 1 16 16 LYS CA C 16 54.782 54.782 55.041 -0.259 25452 1182 1 9 . 1 1 16 16 LYS CB C 16 34.305 34.305 31.032 3.273 25452 1183 1 9 . 1 1 16 16 LYS H H 16 8.873 8.873 8.565 0.308 25452 1184 1 9 . 1 1 17 17 GLY CA C 17 44.600 44.600 43.234 1.366 25452 1185 1 9 . 1 1 17 17 GLY H H 17 8.283 8.283 7.599 0.684 25452 1186 1 9 . 1 1 18 18 PRO HA H 18 4.579 4.579 4.469 0.110 25452 1187 1 9 . 1 1 18 18 PRO CA C 18 62.799 62.799 62.651 0.148 25452 1188 1 9 . 1 1 18 18 PRO CB C 18 33.234 33.234 33.174 0.060 25452 1189 1 9 . 1 1 19 19 GLY CA C 19 43.985 43.985 43.965 0.021 25452 1190 1 9 . 1 1 19 19 GLY H H 19 8.535 8.535 8.437 0.098 25452 1191 1 9 . 1 1 20 20 CYS HA H 20 4.982 4.982 4.687 0.295 25452 1192 1 9 . 1 1 20 20 CYS CA C 20 55.904 55.904 58.837 -2.933 25452 1193 1 9 . 1 1 20 20 CYS CB C 20 39.643 39.643 27.097 12.546 25452 1194 1 9 . 1 1 20 20 CYS H H 20 9.178 9.178 8.773 0.405 25452 1195 1 9 . 1 1 21 21 CYS HA H 21 4.434 4.434 4.245 0.189 25452 1196 1 9 . 1 1 21 21 CYS CA C 21 56.857 56.857 60.616 -3.759 25452 1197 1 9 . 1 1 21 21 CYS CB C 21 39.151 39.151 27.328 11.823 25452 1198 1 9 . 1 1 21 21 CYS H H 21 9.959 9.959 8.837 1.122 25452 1199 1 9 . 1 1 22 22 ASN HA H 22 4.831 4.831 4.740 0.091 25452 1200 1 9 . 1 1 22 22 ASN CA C 22 52.786 52.786 53.880 -1.094 25452 1201 1 9 . 1 1 22 22 ASN CB C 22 41.225 41.225 39.373 1.852 25452 1202 1 9 . 1 1 22 22 ASN H H 22 8.699 8.699 8.244 0.455 25452 1203 1 9 . 1 1 23 23 GLY CA C 23 45.394 45.394 45.051 0.343 25452 1204 1 9 . 1 1 23 23 GLY H H 23 8.394 8.394 8.173 0.221 25452 1205 1 9 . 1 1 24 24 LYS HA H 24 4.488 4.488 4.565 -0.077 25452 1206 1 9 . 1 1 24 24 LYS CA C 24 55.015 55.015 55.621 -0.606 25452 1207 1 9 . 1 1 24 24 LYS CB C 24 35.233 35.233 34.831 0.402 25452 1208 1 9 . 1 1 24 24 LYS H H 24 8.189 8.189 8.256 -0.067 25452 1209 1 9 . 1 1 25 25 CYS HA H 25 4.701 4.701 4.532 0.169 25452 1210 1 9 . 1 1 25 25 CYS CA C 25 55.336 55.336 58.883 -3.547 25452 1211 1 9 . 1 1 25 25 CYS CB C 25 38.089 38.089 28.190 9.899 25452 1212 1 9 . 1 1 25 25 CYS H H 25 8.928 8.928 8.596 0.332 25452 1213 1 9 . 1 1 26 26 ILE HA H 26 4.249 4.249 4.271 -0.022 25452 1214 1 9 . 1 1 26 26 ILE CA C 26 60.017 60.017 58.923 1.094 25452 1215 1 9 . 1 1 26 26 ILE CB C 26 38.295 38.295 37.173 1.122 25452 1216 1 9 . 1 1 26 26 ILE H H 26 8.272 8.272 8.658 -0.386 25452 1217 1 9 . 1 1 27 27 CYS HA H 27 5.292 5.292 4.373 0.919 25452 1218 1 9 . 1 1 27 27 CYS CA C 27 54.607 54.607 58.400 -3.793 25452 1219 1 9 . 1 1 27 27 CYS CB C 27 46.328 46.328 25.481 20.847 25452 1220 1 9 . 1 1 27 27 CYS H H 27 8.782 8.782 8.640 0.142 25452 1221 1 9 . 1 1 28 28 ARG HA H 28 4.566 4.566 4.624 -0.058 25452 1222 1 9 . 1 1 28 28 ARG CA C 28 55.129 55.129 54.687 0.442 25452 1223 1 9 . 1 1 28 28 ARG CB C 28 32.925 32.925 34.048 -1.123 25452 1224 1 9 . 1 1 28 28 ARG H H 28 8.644 8.644 8.398 0.246 25452 1225 1 9 . 1 1 29 29 THR HA H 29 4.573 4.573 4.555 0.018 25452 1226 1 9 . 1 1 29 29 THR CA C 29 62.315 62.315 61.520 0.794 25452 1227 1 9 . 1 1 29 29 THR CB C 29 69.965 69.965 69.388 0.577 25452 1228 1 9 . 1 1 29 29 THR H H 29 8.551 8.551 8.422 0.129 25452 1229 1 9 . 1 1 30 30 VAL HA H 30 4.444 4.444 4.505 -0.061 25452 1230 1 9 . 1 1 30 30 VAL CA C 30 60.186 60.186 59.064 1.122 25452 1231 1 9 . 1 1 30 30 VAL CB C 30 32.749 32.749 34.920 -2.171 25452 1232 1 9 . 1 1 30 30 VAL H H 30 8.578 8.578 8.432 0.146 25452 1233 1 9 . 1 1 31 31 PRO HA H 31 4.351 4.351 4.249 0.102 25452 1234 1 9 . 1 1 31 31 PRO CA C 31 64.468 64.468 64.862 -0.394 25452 1235 1 9 . 1 1 31 31 PRO CB C 31 32.294 32.294 31.970 0.324 25452 1236 1 9 . 1 1 32 32 ARG HA H 32 4.135 4.135 4.248 -0.113 25452 1237 1 9 . 1 1 32 32 ARG CA C 32 57.993 57.993 56.143 1.850 25452 1238 1 9 . 1 1 32 32 ARG CB C 32 29.785 29.785 28.483 1.302 25452 1239 1 9 . 1 1 32 32 ARG H H 32 8.658 8.658 8.104 0.554 25452 1240 1 9 . 1 1 33 33 LYS HA H 33 4.395 4.395 3.976 0.419 25452 1241 1 9 . 1 1 33 33 LYS CA C 33 56.622 56.622 57.254 -0.632 25452 1242 1 9 . 1 1 33 33 LYS CB C 33 33.815 33.815 30.381 3.433 25452 1243 1 9 . 1 1 33 33 LYS H H 33 8.200 8.200 8.485 -0.285 25452 1244 1 9 . 1 1 34 34 GLY CA C 34 46.119 46.119 44.754 1.365 25452 1245 1 9 . 1 1 34 34 GLY H H 34 8.501 8.501 8.049 0.452 25452 1246 1 9 . 1 1 35 35 VAL HA H 35 4.417 4.417 3.980 0.437 25452 1247 1 9 . 1 1 35 35 VAL CA C 35 60.474 60.474 63.083 -2.609 25452 1248 1 9 . 1 1 35 35 VAL CB C 35 34.629 34.629 31.274 3.354 25452 1249 1 9 . 1 1 35 35 VAL H H 35 7.317 7.317 8.200 -0.883 25452 1250 1 9 . 1 1 36 36 ASN HA H 36 5.145 5.145 4.426 0.719 25452 1251 1 9 . 1 1 36 36 ASN CA C 36 53.013 53.013 54.030 -1.017 25452 1252 1 9 . 1 1 36 36 ASN CB C 36 40.500 40.500 36.568 3.932 25452 1253 1 9 . 1 1 36 36 ASN H H 36 8.789 8.789 8.478 0.311 25452 1254 1 9 . 1 1 37 37 SER HA H 37 4.656 4.656 4.490 0.166 25452 1255 1 9 . 1 1 37 37 SER CA C 37 57.429 57.429 58.473 -1.044 25452 1256 1 9 . 1 1 37 37 SER CB C 37 64.251 64.251 63.427 0.824 25452 1257 1 9 . 1 1 37 37 SER H H 37 8.774 8.774 8.003 0.771 25452 1258 1 9 . 1 1 38 38 CYS HA H 38 5.566 5.566 4.811 0.755 25452 1259 1 9 . 1 1 38 38 CYS CA C 38 55.624 55.624 58.172 -2.548 25452 1260 1 9 . 1 1 38 38 CYS CB C 38 48.350 48.350 26.472 21.878 25452 1261 1 9 . 1 1 38 38 CYS H H 38 8.973 8.973 8.568 0.405 25452 1262 1 9 . 1 1 39 39 ARG HA H 39 5.120 5.120 4.577 0.543 25452 1263 1 9 . 1 1 39 39 ARG CA C 39 54.635 54.635 54.207 0.428 25452 1264 1 9 . 1 1 39 39 ARG CB C 39 36.013 36.013 32.208 3.805 25452 1265 1 9 . 1 1 39 39 ARG H H 39 8.787 8.787 8.537 0.250 25452 1266 1 9 . 1 1 40 40 CYS HA H 40 4.925 4.925 4.876 0.049 25452 1267 1 9 . 1 1 40 40 CYS CA C 40 56.037 56.037 59.908 -3.871 25452 1268 1 9 . 1 1 40 40 CYS CB C 40 39.651 39.651 27.016 12.635 25452 1269 1 9 . 1 1 40 40 CYS H H 40 8.580 8.580 8.547 0.033 25452 1270 1 10 . 1 1 2 2 ALA HA H 2 4.738 4.738 4.492 0.246 25452 1271 1 10 . 1 1 2 2 ALA CA C 2 51.709 51.709 51.917 -0.208 25452 1272 1 10 . 1 1 2 2 ALA CB C 2 21.586 21.586 20.233 1.353 25452 1273 1 10 . 1 1 2 2 ALA H H 2 9.549 9.549 8.483 1.066 25452 1274 1 10 . 1 1 3 3 SER HA H 3 4.413 4.413 4.542 -0.129 25452 1275 1 10 . 1 1 3 3 SER CA C 3 58.103 58.103 57.256 0.847 25452 1276 1 10 . 1 1 3 3 SER CB C 3 64.407 64.407 65.313 -0.906 25452 1277 1 10 . 1 1 3 3 SER H H 3 9.174 9.174 8.433 0.741 25452 1278 1 10 . 1 1 4 4 LYS HA H 4 3.751 3.751 3.946 -0.195 25452 1279 1 10 . 1 1 4 4 LYS CA C 4 59.020 59.020 57.823 1.197 25452 1280 1 10 . 1 1 4 4 LYS H H 4 8.275 8.275 8.303 -0.028 25452 1281 1 10 . 1 1 5 5 ASN HA H 5 4.366 4.366 4.391 -0.025 25452 1282 1 10 . 1 1 5 5 ASN CA C 5 55.761 55.761 55.039 0.722 25452 1283 1 10 . 1 1 5 5 ASN CB C 5 38.046 38.046 38.152 -0.106 25452 1284 1 10 . 1 1 5 5 ASN H H 5 9.046 9.046 8.766 0.280 25452 1285 1 10 . 1 1 6 6 GLU HA H 6 4.461 4.461 4.566 -0.105 25452 1286 1 10 . 1 1 6 6 GLU CA C 6 55.983 55.983 54.865 1.118 25452 1287 1 10 . 1 1 6 6 GLU CB C 6 31.173 31.173 31.048 0.125 25452 1288 1 10 . 1 1 6 6 GLU H H 6 8.024 8.024 7.691 0.333 25452 1289 1 10 . 1 1 7 7 ARG HA H 7 4.641 4.641 4.622 0.019 25452 1290 1 10 . 1 1 7 7 ARG CA C 7 57.262 57.262 56.196 1.066 25452 1291 1 10 . 1 1 7 7 ARG CB C 7 30.703 30.703 29.744 0.959 25452 1292 1 10 . 1 1 7 7 ARG H H 7 8.466 8.466 8.499 -0.033 25452 1293 1 10 . 1 1 8 8 CYS HA H 8 5.089 5.089 5.373 -0.284 25452 1294 1 10 . 1 1 8 8 CYS CA C 8 52.465 52.465 56.332 -3.867 25452 1295 1 10 . 1 1 8 8 CYS CB C 8 48.107 48.107 30.463 17.644 25452 1296 1 10 . 1 1 8 8 CYS H H 8 7.408 7.408 8.375 -0.967 25452 1297 1 10 . 1 1 9 9 GLY CA C 9 43.986 43.986 44.406 -0.420 25452 1298 1 10 . 1 1 9 9 GLY H H 9 8.194 8.194 8.396 -0.202 25452 1299 1 10 . 1 1 10 10 ASN HA H 10 4.715 4.715 4.898 -0.183 25452 1300 1 10 . 1 1 10 10 ASN CA C 10 52.895 52.895 53.118 -0.223 25452 1301 1 10 . 1 1 10 10 ASN CB C 10 42.114 42.114 41.418 0.696 25452 1302 1 10 . 1 1 10 10 ASN H H 10 8.083 8.083 8.222 -0.139 25452 1303 1 10 . 1 1 11 11 ALA HA H 11 4.194 4.194 4.130 0.064 25452 1304 1 10 . 1 1 11 11 ALA CA C 11 55.288 55.288 54.877 0.411 25452 1305 1 10 . 1 1 11 11 ALA CB C 11 18.639 18.639 18.817 -0.178 25452 1306 1 10 . 1 1 11 11 ALA H H 11 9.249 9.249 8.910 0.339 25452 1307 1 10 . 1 1 12 12 LEU HA H 12 4.092 4.092 4.088 0.003 25452 1308 1 10 . 1 1 12 12 LEU CA C 12 57.320 57.320 57.343 -0.023 25452 1309 1 10 . 1 1 12 12 LEU CB C 12 41.383 41.383 42.329 -0.946 25452 1310 1 10 . 1 1 12 12 LEU H H 12 8.145 8.145 8.458 -0.313 25452 1311 1 10 . 1 1 13 13 TYR HA H 13 4.515 4.515 4.651 -0.136 25452 1312 1 10 . 1 1 13 13 TYR CA C 13 57.712 57.712 57.706 0.006 25452 1313 1 10 . 1 1 13 13 TYR CB C 13 39.718 39.718 38.572 1.146 25452 1314 1 10 . 1 1 13 13 TYR H H 13 7.616 7.616 7.930 -0.314 25452 1315 1 10 . 1 1 14 14 GLY CA C 14 46.708 46.708 45.781 0.927 25452 1316 1 10 . 1 1 14 14 GLY H H 14 7.825 7.825 7.994 -0.169 25452 1317 1 10 . 1 1 15 15 THR HA H 15 4.690 4.690 4.608 0.082 25452 1318 1 10 . 1 1 15 15 THR CA C 15 60.074 60.074 60.063 0.011 25452 1319 1 10 . 1 1 15 15 THR CB C 15 71.665 71.665 70.514 1.151 25452 1320 1 10 . 1 1 15 15 THR H H 15 7.618 7.618 7.842 -0.224 25452 1321 1 10 . 1 1 16 16 LYS HA H 16 4.556 4.556 4.507 0.049 25452 1322 1 10 . 1 1 16 16 LYS CA C 16 54.782 54.782 55.072 -0.290 25452 1323 1 10 . 1 1 16 16 LYS CB C 16 34.305 34.305 31.417 2.888 25452 1324 1 10 . 1 1 16 16 LYS H H 16 8.873 8.873 8.617 0.256 25452 1325 1 10 . 1 1 17 17 GLY CA C 17 44.600 44.600 43.710 0.890 25452 1326 1 10 . 1 1 17 17 GLY H H 17 8.283 8.283 7.704 0.579 25452 1327 1 10 . 1 1 18 18 PRO HA H 18 4.579 4.579 4.430 0.149 25452 1328 1 10 . 1 1 18 18 PRO CA C 18 62.799 62.799 62.702 0.097 25452 1329 1 10 . 1 1 18 18 PRO CB C 18 33.234 33.234 32.894 0.340 25452 1330 1 10 . 1 1 19 19 GLY CA C 19 43.985 43.985 43.855 0.130 25452 1331 1 10 . 1 1 19 19 GLY H H 19 8.535 8.535 8.410 0.125 25452 1332 1 10 . 1 1 20 20 CYS HA H 20 4.982 4.982 4.748 0.234 25452 1333 1 10 . 1 1 20 20 CYS CA C 20 55.904 55.904 59.024 -3.120 25452 1334 1 10 . 1 1 20 20 CYS CB C 20 39.643 39.643 27.311 12.332 25452 1335 1 10 . 1 1 20 20 CYS H H 20 9.178 9.178 8.751 0.427 25452 1336 1 10 . 1 1 21 21 CYS HA H 21 4.434 4.434 4.299 0.135 25452 1337 1 10 . 1 1 21 21 CYS CA C 21 56.857 56.857 59.992 -3.135 25452 1338 1 10 . 1 1 21 21 CYS CB C 21 39.151 39.151 26.299 12.852 25452 1339 1 10 . 1 1 21 21 CYS H H 21 9.959 9.959 8.813 1.146 25452 1340 1 10 . 1 1 22 22 ASN HA H 22 4.831 4.831 4.726 0.105 25452 1341 1 10 . 1 1 22 22 ASN CA C 22 52.786 52.786 53.514 -0.728 25452 1342 1 10 . 1 1 22 22 ASN CB C 22 41.225 41.225 40.132 1.093 25452 1343 1 10 . 1 1 22 22 ASN H H 22 8.699 8.699 7.649 1.050 25452 1344 1 10 . 1 1 23 23 GLY CA C 23 45.394 45.394 44.741 0.653 25452 1345 1 10 . 1 1 23 23 GLY H H 23 8.394 8.394 8.155 0.239 25452 1346 1 10 . 1 1 24 24 LYS HA H 24 4.488 4.488 4.562 -0.074 25452 1347 1 10 . 1 1 24 24 LYS CA C 24 55.015 55.015 55.663 -0.649 25452 1348 1 10 . 1 1 24 24 LYS CB C 24 35.233 35.233 34.919 0.314 25452 1349 1 10 . 1 1 24 24 LYS H H 24 8.189 8.189 8.224 -0.035 25452 1350 1 10 . 1 1 25 25 CYS HA H 25 4.701 4.701 4.562 0.139 25452 1351 1 10 . 1 1 25 25 CYS CA C 25 55.336 55.336 59.028 -3.692 25452 1352 1 10 . 1 1 25 25 CYS CB C 25 38.089 38.089 27.286 10.803 25452 1353 1 10 . 1 1 25 25 CYS H H 25 8.928 8.928 8.671 0.257 25452 1354 1 10 . 1 1 26 26 ILE HA H 26 4.249 4.249 4.217 0.032 25452 1355 1 10 . 1 1 26 26 ILE CA C 26 60.017 60.017 60.309 -0.292 25452 1356 1 10 . 1 1 26 26 ILE CB C 26 38.295 38.295 37.986 0.309 25452 1357 1 10 . 1 1 26 26 ILE H H 26 8.272 8.272 8.923 -0.651 25452 1358 1 10 . 1 1 27 27 CYS HA H 27 5.292 5.292 4.564 0.728 25452 1359 1 10 . 1 1 27 27 CYS CA C 27 54.607 54.607 58.339 -3.732 25452 1360 1 10 . 1 1 27 27 CYS CB C 27 46.328 46.328 26.006 20.322 25452 1361 1 10 . 1 1 27 27 CYS H H 27 8.782 8.782 8.365 0.417 25452 1362 1 10 . 1 1 28 28 ARG HA H 28 4.566 4.566 4.774 -0.208 25452 1363 1 10 . 1 1 28 28 ARG CA C 28 55.129 55.129 55.088 0.041 25452 1364 1 10 . 1 1 28 28 ARG CB C 28 32.925 32.925 34.745 -1.820 25452 1365 1 10 . 1 1 28 28 ARG H H 28 8.644 8.644 8.444 0.200 25452 1366 1 10 . 1 1 29 29 THR HA H 29 4.573 4.573 5.418 -0.845 25452 1367 1 10 . 1 1 29 29 THR CA C 29 62.315 62.315 61.336 0.979 25452 1368 1 10 . 1 1 29 29 THR CB C 29 69.965 69.965 70.522 -0.557 25452 1369 1 10 . 1 1 29 29 THR H H 29 8.551 8.551 8.319 0.233 25452 1370 1 10 . 1 1 30 30 VAL HA H 30 4.444 4.444 4.576 -0.132 25452 1371 1 10 . 1 1 30 30 VAL CA C 30 60.186 60.186 58.934 1.252 25452 1372 1 10 . 1 1 30 30 VAL CB C 30 32.749 32.749 35.621 -2.872 25452 1373 1 10 . 1 1 30 30 VAL H H 30 8.578 8.578 8.471 0.107 25452 1374 1 10 . 1 1 31 31 PRO HA H 31 4.351 4.351 4.305 0.046 25452 1375 1 10 . 1 1 31 31 PRO CA C 31 64.468 64.468 64.728 -0.260 25452 1376 1 10 . 1 1 31 31 PRO CB C 31 32.294 32.294 31.771 0.523 25452 1377 1 10 . 1 1 32 32 ARG HA H 32 4.135 4.135 4.222 -0.087 25452 1378 1 10 . 1 1 32 32 ARG CA C 32 57.993 57.993 56.038 1.956 25452 1379 1 10 . 1 1 32 32 ARG CB C 32 29.785 29.785 28.256 1.529 25452 1380 1 10 . 1 1 32 32 ARG H H 32 8.658 8.658 8.030 0.628 25452 1381 1 10 . 1 1 33 33 LYS HA H 33 4.395 4.395 3.978 0.417 25452 1382 1 10 . 1 1 33 33 LYS CA C 33 56.622 56.622 57.062 -0.440 25452 1383 1 10 . 1 1 33 33 LYS CB C 33 33.815 33.815 31.197 2.619 25452 1384 1 10 . 1 1 33 33 LYS H H 33 8.200 8.200 8.648 -0.448 25452 1385 1 10 . 1 1 34 34 GLY CA C 34 46.119 46.119 45.111 1.008 25452 1386 1 10 . 1 1 34 34 GLY H H 34 8.501 8.501 7.908 0.593 25452 1387 1 10 . 1 1 35 35 VAL HA H 35 4.417 4.417 3.872 0.545 25452 1388 1 10 . 1 1 35 35 VAL CA C 35 60.474 60.474 62.839 -2.365 25452 1389 1 10 . 1 1 35 35 VAL CB C 35 34.629 34.629 31.053 3.575 25452 1390 1 10 . 1 1 35 35 VAL H H 35 7.317 7.317 8.100 -0.783 25452 1391 1 10 . 1 1 36 36 ASN HA H 36 5.145 5.145 4.540 0.605 25452 1392 1 10 . 1 1 36 36 ASN CA C 36 53.013 53.013 54.158 -1.145 25452 1393 1 10 . 1 1 36 36 ASN CB C 36 40.500 40.500 36.997 3.503 25452 1394 1 10 . 1 1 36 36 ASN H H 36 8.789 8.789 8.281 0.508 25452 1395 1 10 . 1 1 37 37 SER HA H 37 4.656 4.656 4.569 0.087 25452 1396 1 10 . 1 1 37 37 SER CA C 37 57.429 57.429 58.432 -1.003 25452 1397 1 10 . 1 1 37 37 SER CB C 37 64.251 64.251 63.509 0.742 25452 1398 1 10 . 1 1 37 37 SER H H 37 8.774 8.774 8.141 0.633 25452 1399 1 10 . 1 1 38 38 CYS HA H 38 5.566 5.566 4.768 0.798 25452 1400 1 10 . 1 1 38 38 CYS CA C 38 55.624 55.624 58.242 -2.618 25452 1401 1 10 . 1 1 38 38 CYS CB C 38 48.350 48.350 26.857 21.493 25452 1402 1 10 . 1 1 38 38 CYS H H 38 8.973 8.973 8.938 0.035 25452 1403 1 10 . 1 1 39 39 ARG HA H 39 5.120 5.120 4.603 0.517 25452 1404 1 10 . 1 1 39 39 ARG CA C 39 54.635 54.635 54.158 0.477 25452 1405 1 10 . 1 1 39 39 ARG CB C 39 36.013 36.013 32.332 3.681 25452 1406 1 10 . 1 1 39 39 ARG H H 39 8.787 8.787 8.494 0.293 25452 1407 1 10 . 1 1 40 40 CYS HA H 40 4.925 4.925 4.881 0.044 25452 1408 1 10 . 1 1 40 40 CYS CA C 40 56.037 56.037 59.675 -3.638 25452 1409 1 10 . 1 1 40 40 CYS CB C 40 39.651 39.651 26.911 12.740 25452 1410 1 10 . 1 1 40 40 CYS H H 40 8.580 8.580 8.477 0.103 25452 1411 1 11 . 1 1 2 2 ALA HA H 2 4.738 4.738 4.763 -0.025 25452 1412 1 11 . 1 1 2 2 ALA CA C 2 51.709 51.709 50.812 0.897 25452 1413 1 11 . 1 1 2 2 ALA CB C 2 21.586 21.586 21.062 0.524 25452 1414 1 11 . 1 1 2 2 ALA H H 2 9.549 9.549 8.317 1.232 25452 1415 1 11 . 1 1 3 3 SER HA H 3 4.413 4.413 4.614 -0.201 25452 1416 1 11 . 1 1 3 3 SER CA C 3 58.103 58.103 56.407 1.696 25452 1417 1 11 . 1 1 3 3 SER CB C 3 64.407 64.407 64.673 -0.266 25452 1418 1 11 . 1 1 3 3 SER H H 3 9.174 9.174 8.511 0.663 25452 1419 1 11 . 1 1 4 4 LYS HA H 4 3.751 3.751 4.056 -0.305 25452 1420 1 11 . 1 1 4 4 LYS CA C 4 59.020 59.020 57.906 1.114 25452 1421 1 11 . 1 1 4 4 LYS H H 4 8.275 8.275 8.486 -0.211 25452 1422 1 11 . 1 1 5 5 ASN HA H 5 4.366 4.366 4.298 0.068 25452 1423 1 11 . 1 1 5 5 ASN CA C 5 55.761 55.761 55.049 0.712 25452 1424 1 11 . 1 1 5 5 ASN CB C 5 38.046 38.046 38.194 -0.148 25452 1425 1 11 . 1 1 5 5 ASN H H 5 9.046 9.046 8.846 0.200 25452 1426 1 11 . 1 1 6 6 GLU HA H 6 4.461 4.461 4.574 -0.113 25452 1427 1 11 . 1 1 6 6 GLU CA C 6 55.983 55.983 54.755 1.228 25452 1428 1 11 . 1 1 6 6 GLU CB C 6 31.173 31.173 31.258 -0.085 25452 1429 1 11 . 1 1 6 6 GLU H H 6 8.024 8.024 7.804 0.220 25452 1430 1 11 . 1 1 7 7 ARG HA H 7 4.641 4.641 4.612 0.029 25452 1431 1 11 . 1 1 7 7 ARG CA C 7 57.262 57.262 56.158 1.104 25452 1432 1 11 . 1 1 7 7 ARG CB C 7 30.703 30.703 29.472 1.231 25452 1433 1 11 . 1 1 7 7 ARG H H 7 8.466 8.466 8.522 -0.056 25452 1434 1 11 . 1 1 8 8 CYS HA H 8 5.089 5.089 5.016 0.073 25452 1435 1 11 . 1 1 8 8 CYS CA C 8 52.465 52.465 56.066 -3.601 25452 1436 1 11 . 1 1 8 8 CYS CB C 8 48.107 48.107 31.123 16.984 25452 1437 1 11 . 1 1 8 8 CYS H H 8 7.408 7.408 8.364 -0.956 25452 1438 1 11 . 1 1 9 9 GLY CA C 9 43.986 43.986 44.094 -0.108 25452 1439 1 11 . 1 1 9 9 GLY H H 9 8.194 8.194 8.550 -0.356 25452 1440 1 11 . 1 1 10 10 ASN HA H 10 4.715 4.715 4.900 -0.185 25452 1441 1 11 . 1 1 10 10 ASN CA C 10 52.895 52.895 53.170 -0.276 25452 1442 1 11 . 1 1 10 10 ASN CB C 10 42.114 42.114 41.423 0.691 25452 1443 1 11 . 1 1 10 10 ASN H H 10 8.083 8.083 8.309 -0.226 25452 1444 1 11 . 1 1 11 11 ALA HA H 11 4.194 4.194 4.181 0.013 25452 1445 1 11 . 1 1 11 11 ALA CA C 11 55.288 55.288 54.707 0.581 25452 1446 1 11 . 1 1 11 11 ALA CB C 11 18.639 18.639 19.080 -0.441 25452 1447 1 11 . 1 1 11 11 ALA H H 11 9.249 9.249 8.925 0.324 25452 1448 1 11 . 1 1 12 12 LEU HA H 12 4.092 4.092 4.038 0.054 25452 1449 1 11 . 1 1 12 12 LEU CA C 12 57.320 57.320 57.291 0.029 25452 1450 1 11 . 1 1 12 12 LEU CB C 12 41.383 41.383 41.951 -0.568 25452 1451 1 11 . 1 1 12 12 LEU H H 12 8.145 8.145 8.424 -0.279 25452 1452 1 11 . 1 1 13 13 TYR HA H 13 4.515 4.515 4.596 -0.081 25452 1453 1 11 . 1 1 13 13 TYR CA C 13 57.712 57.712 57.529 0.183 25452 1454 1 11 . 1 1 13 13 TYR CB C 13 39.718 39.718 38.372 1.346 25452 1455 1 11 . 1 1 13 13 TYR H H 13 7.616 7.616 7.749 -0.133 25452 1456 1 11 . 1 1 14 14 GLY CA C 14 46.708 46.708 46.029 0.679 25452 1457 1 11 . 1 1 14 14 GLY H H 14 7.825 7.825 8.093 -0.268 25452 1458 1 11 . 1 1 15 15 THR HA H 15 4.690 4.690 4.593 0.097 25452 1459 1 11 . 1 1 15 15 THR CA C 15 60.074 60.074 60.370 -0.296 25452 1460 1 11 . 1 1 15 15 THR CB C 15 71.665 71.665 70.644 1.021 25452 1461 1 11 . 1 1 15 15 THR H H 15 7.618 7.618 7.892 -0.274 25452 1462 1 11 . 1 1 16 16 LYS HA H 16 4.556 4.556 4.452 0.104 25452 1463 1 11 . 1 1 16 16 LYS CA C 16 54.782 54.782 56.027 -1.245 25452 1464 1 11 . 1 1 16 16 LYS CB C 16 34.305 34.305 32.160 2.146 25452 1465 1 11 . 1 1 16 16 LYS H H 16 8.873 8.873 8.906 -0.033 25452 1466 1 11 . 1 1 17 17 GLY CA C 17 44.600 44.600 43.181 1.419 25452 1467 1 11 . 1 1 17 17 GLY H H 17 8.283 8.283 7.788 0.495 25452 1468 1 11 . 1 1 18 18 PRO HA H 18 4.579 4.579 4.476 0.103 25452 1469 1 11 . 1 1 18 18 PRO CA C 18 62.799 62.799 62.548 0.251 25452 1470 1 11 . 1 1 18 18 PRO CB C 18 33.234 33.234 32.932 0.302 25452 1471 1 11 . 1 1 19 19 GLY CA C 19 43.985 43.985 43.805 0.180 25452 1472 1 11 . 1 1 19 19 GLY H H 19 8.535 8.535 8.386 0.149 25452 1473 1 11 . 1 1 20 20 CYS HA H 20 4.982 4.982 4.876 0.106 25452 1474 1 11 . 1 1 20 20 CYS CA C 20 55.904 55.904 59.679 -3.775 25452 1475 1 11 . 1 1 20 20 CYS CB C 20 39.643 39.643 26.688 12.955 25452 1476 1 11 . 1 1 20 20 CYS H H 20 9.178 9.178 8.835 0.343 25452 1477 1 11 . 1 1 21 21 CYS HA H 21 4.434 4.434 4.277 0.157 25452 1478 1 11 . 1 1 21 21 CYS CA C 21 56.857 56.857 60.482 -3.625 25452 1479 1 11 . 1 1 21 21 CYS CB C 21 39.151 39.151 27.439 11.712 25452 1480 1 11 . 1 1 21 21 CYS H H 21 9.959 9.959 9.014 0.945 25452 1481 1 11 . 1 1 22 22 ASN HA H 22 4.831 4.831 4.729 0.102 25452 1482 1 11 . 1 1 22 22 ASN CA C 22 52.786 52.786 53.106 -0.320 25452 1483 1 11 . 1 1 22 22 ASN CB C 22 41.225 41.225 39.478 1.747 25452 1484 1 11 . 1 1 22 22 ASN H H 22 8.699 8.699 8.096 0.603 25452 1485 1 11 . 1 1 23 23 GLY CA C 23 45.394 45.394 44.660 0.734 25452 1486 1 11 . 1 1 23 23 GLY H H 23 8.394 8.394 8.131 0.263 25452 1487 1 11 . 1 1 24 24 LYS HA H 24 4.488 4.488 4.446 0.042 25452 1488 1 11 . 1 1 24 24 LYS CA C 24 55.015 55.015 55.630 -0.615 25452 1489 1 11 . 1 1 24 24 LYS CB C 24 35.233 35.233 33.786 1.447 25452 1490 1 11 . 1 1 24 24 LYS H H 24 8.189 8.189 8.112 0.077 25452 1491 1 11 . 1 1 25 25 CYS HA H 25 4.701 4.701 4.708 -0.007 25452 1492 1 11 . 1 1 25 25 CYS CA C 25 55.336 55.336 59.872 -4.536 25452 1493 1 11 . 1 1 25 25 CYS CB C 25 38.089 38.089 27.377 10.713 25452 1494 1 11 . 1 1 25 25 CYS H H 25 8.928 8.928 8.759 0.169 25452 1495 1 11 . 1 1 26 26 ILE HA H 26 4.249 4.249 4.454 -0.205 25452 1496 1 11 . 1 1 26 26 ILE CA C 26 60.017 60.017 60.204 -0.187 25452 1497 1 11 . 1 1 26 26 ILE CB C 26 38.295 38.295 40.565 -2.270 25452 1498 1 11 . 1 1 26 26 ILE H H 26 8.272 8.272 9.153 -0.881 25452 1499 1 11 . 1 1 27 27 CYS HA H 27 5.292 5.292 4.543 0.749 25452 1500 1 11 . 1 1 27 27 CYS CA C 27 54.607 54.607 58.065 -3.458 25452 1501 1 11 . 1 1 27 27 CYS CB C 27 46.328 46.328 25.661 20.667 25452 1502 1 11 . 1 1 27 27 CYS H H 27 8.782 8.782 8.869 -0.087 25452 1503 1 11 . 1 1 28 28 ARG HA H 28 4.566 4.566 4.794 -0.228 25452 1504 1 11 . 1 1 28 28 ARG CA C 28 55.129 55.129 55.148 -0.019 25452 1505 1 11 . 1 1 28 28 ARG CB C 28 32.925 32.925 33.537 -0.612 25452 1506 1 11 . 1 1 28 28 ARG H H 28 8.644 8.644 8.459 0.185 25452 1507 1 11 . 1 1 29 29 THR HA H 29 4.573 4.573 5.251 -0.678 25452 1508 1 11 . 1 1 29 29 THR CA C 29 62.315 62.315 61.450 0.865 25452 1509 1 11 . 1 1 29 29 THR CB C 29 69.965 69.965 70.484 -0.519 25452 1510 1 11 . 1 1 29 29 THR H H 29 8.551 8.551 8.255 0.296 25452 1511 1 11 . 1 1 30 30 VAL HA H 30 4.444 4.444 4.581 -0.137 25452 1512 1 11 . 1 1 30 30 VAL CA C 30 60.186 60.186 58.790 1.396 25452 1513 1 11 . 1 1 30 30 VAL CB C 30 32.749 32.749 35.323 -2.574 25452 1514 1 11 . 1 1 30 30 VAL H H 30 8.578 8.578 8.413 0.165 25452 1515 1 11 . 1 1 31 31 PRO HA H 31 4.351 4.351 4.257 0.094 25452 1516 1 11 . 1 1 31 31 PRO CA C 31 64.468 64.468 64.801 -0.333 25452 1517 1 11 . 1 1 31 31 PRO CB C 31 32.294 32.294 31.971 0.323 25452 1518 1 11 . 1 1 32 32 ARG HA H 32 4.135 4.135 4.200 -0.065 25452 1519 1 11 . 1 1 32 32 ARG CA C 32 57.993 57.993 56.459 1.534 25452 1520 1 11 . 1 1 32 32 ARG CB C 32 29.785 29.785 28.671 1.115 25452 1521 1 11 . 1 1 32 32 ARG H H 32 8.658 8.658 8.063 0.595 25452 1522 1 11 . 1 1 33 33 LYS HA H 33 4.395 4.395 4.006 0.389 25452 1523 1 11 . 1 1 33 33 LYS CA C 33 56.622 56.622 57.241 -0.619 25452 1524 1 11 . 1 1 33 33 LYS CB C 33 33.815 33.815 30.109 3.706 25452 1525 1 11 . 1 1 33 33 LYS H H 33 8.200 8.200 8.629 -0.429 25452 1526 1 11 . 1 1 34 34 GLY CA C 34 46.119 46.119 45.094 1.025 25452 1527 1 11 . 1 1 34 34 GLY H H 34 8.501 8.501 7.976 0.525 25452 1528 1 11 . 1 1 35 35 VAL HA H 35 4.417 4.417 4.038 0.379 25452 1529 1 11 . 1 1 35 35 VAL CA C 35 60.474 60.474 62.190 -1.716 25452 1530 1 11 . 1 1 35 35 VAL CB C 35 34.629 34.629 31.046 3.583 25452 1531 1 11 . 1 1 35 35 VAL H H 35 7.317 7.317 7.770 -0.453 25452 1532 1 11 . 1 1 36 36 ASN HA H 36 5.145 5.145 4.552 0.593 25452 1533 1 11 . 1 1 36 36 ASN CA C 36 53.013 53.013 54.122 -1.109 25452 1534 1 11 . 1 1 36 36 ASN CB C 36 40.500 40.500 37.564 2.936 25452 1535 1 11 . 1 1 36 36 ASN H H 36 8.789 8.789 8.208 0.581 25452 1536 1 11 . 1 1 37 37 SER HA H 37 4.656 4.656 4.634 0.022 25452 1537 1 11 . 1 1 37 37 SER CA C 37 57.429 57.429 57.582 -0.153 25452 1538 1 11 . 1 1 37 37 SER CB C 37 64.251 64.251 63.428 0.823 25452 1539 1 11 . 1 1 37 37 SER H H 37 8.774 8.774 8.045 0.729 25452 1540 1 11 . 1 1 38 38 CYS HA H 38 5.566 5.566 4.969 0.597 25452 1541 1 11 . 1 1 38 38 CYS CA C 38 55.624 55.624 58.118 -2.494 25452 1542 1 11 . 1 1 38 38 CYS CB C 38 48.350 48.350 27.687 20.663 25452 1543 1 11 . 1 1 38 38 CYS H H 38 8.973 8.973 8.758 0.215 25452 1544 1 11 . 1 1 39 39 ARG HA H 39 5.120 5.120 4.899 0.221 25452 1545 1 11 . 1 1 39 39 ARG CA C 39 54.635 54.635 52.418 2.217 25452 1546 1 11 . 1 1 39 39 ARG CB C 39 36.013 36.013 32.585 3.428 25452 1547 1 11 . 1 1 39 39 ARG H H 39 8.787 8.787 8.629 0.158 25452 1548 1 11 . 1 1 40 40 CYS HA H 40 4.925 4.925 4.495 0.430 25452 1549 1 11 . 1 1 40 40 CYS CA C 40 56.037 56.037 60.035 -3.998 25452 1550 1 11 . 1 1 40 40 CYS CB C 40 39.651 39.651 26.790 12.861 25452 1551 1 11 . 1 1 40 40 CYS H H 40 8.580 8.580 8.399 0.181 25452 1552 1 12 . 1 1 2 2 ALA HA H 2 4.738 4.738 4.488 0.250 25452 1553 1 12 . 1 1 2 2 ALA CA C 2 51.709 51.709 52.240 -0.531 25452 1554 1 12 . 1 1 2 2 ALA CB C 2 21.586 21.586 19.636 1.950 25452 1555 1 12 . 1 1 2 2 ALA H H 2 9.549 9.549 8.535 1.014 25452 1556 1 12 . 1 1 3 3 SER HA H 3 4.413 4.413 4.299 0.114 25452 1557 1 12 . 1 1 3 3 SER CA C 3 58.103 58.103 57.419 0.684 25452 1558 1 12 . 1 1 3 3 SER CB C 3 64.407 64.407 64.363 0.044 25452 1559 1 12 . 1 1 3 3 SER H H 3 9.174 9.174 8.537 0.637 25452 1560 1 12 . 1 1 4 4 LYS HA H 4 3.751 3.751 3.995 -0.244 25452 1561 1 12 . 1 1 4 4 LYS CA C 4 59.020 59.020 58.109 0.911 25452 1562 1 12 . 1 1 4 4 LYS H H 4 8.275 8.275 8.474 -0.199 25452 1563 1 12 . 1 1 5 5 ASN HA H 5 4.366 4.366 4.403 -0.037 25452 1564 1 12 . 1 1 5 5 ASN CA C 5 55.761 55.761 54.516 1.245 25452 1565 1 12 . 1 1 5 5 ASN CB C 5 38.046 38.046 36.587 1.459 25452 1566 1 12 . 1 1 5 5 ASN H H 5 9.046 9.046 8.912 0.134 25452 1567 1 12 . 1 1 6 6 GLU HA H 6 4.461 4.461 4.495 -0.034 25452 1568 1 12 . 1 1 6 6 GLU CA C 6 55.983 55.983 54.684 1.300 25452 1569 1 12 . 1 1 6 6 GLU CB C 6 31.173 31.173 31.441 -0.268 25452 1570 1 12 . 1 1 6 6 GLU H H 6 8.024 8.024 7.768 0.256 25452 1571 1 12 . 1 1 7 7 ARG HA H 7 4.641 4.641 4.557 0.084 25452 1572 1 12 . 1 1 7 7 ARG CA C 7 57.262 57.262 57.076 0.186 25452 1573 1 12 . 1 1 7 7 ARG CB C 7 30.703 30.703 29.942 0.761 25452 1574 1 12 . 1 1 7 7 ARG H H 7 8.466 8.466 8.540 -0.074 25452 1575 1 12 . 1 1 8 8 CYS HA H 8 5.089 5.089 5.318 -0.229 25452 1576 1 12 . 1 1 8 8 CYS CA C 8 52.465 52.465 55.439 -2.974 25452 1577 1 12 . 1 1 8 8 CYS CB C 8 48.107 48.107 30.967 17.140 25452 1578 1 12 . 1 1 8 8 CYS H H 8 7.408 7.408 8.443 -1.035 25452 1579 1 12 . 1 1 9 9 GLY CA C 9 43.986 43.986 44.160 -0.173 25452 1580 1 12 . 1 1 9 9 GLY H H 9 8.194 8.194 8.750 -0.556 25452 1581 1 12 . 1 1 10 10 ASN HA H 10 4.715 4.715 4.951 -0.236 25452 1582 1 12 . 1 1 10 10 ASN CA C 10 52.895 52.895 52.985 -0.090 25452 1583 1 12 . 1 1 10 10 ASN CB C 10 42.114 42.114 41.434 0.680 25452 1584 1 12 . 1 1 10 10 ASN H H 10 8.083 8.083 8.428 -0.345 25452 1585 1 12 . 1 1 11 11 ALA HA H 11 4.194 4.194 4.193 0.001 25452 1586 1 12 . 1 1 11 11 ALA CA C 11 55.288 55.288 54.612 0.676 25452 1587 1 12 . 1 1 11 11 ALA CB C 11 18.639 18.639 19.037 -0.398 25452 1588 1 12 . 1 1 11 11 ALA H H 11 9.249 9.249 8.943 0.306 25452 1589 1 12 . 1 1 12 12 LEU HA H 12 4.092 4.092 3.986 0.106 25452 1590 1 12 . 1 1 12 12 LEU CA C 12 57.320 57.320 57.298 0.022 25452 1591 1 12 . 1 1 12 12 LEU CB C 12 41.383 41.383 42.007 -0.624 25452 1592 1 12 . 1 1 12 12 LEU H H 12 8.145 8.145 8.713 -0.568 25452 1593 1 12 . 1 1 13 13 TYR HA H 13 4.515 4.515 4.616 -0.101 25452 1594 1 12 . 1 1 13 13 TYR CA C 13 57.712 57.712 57.404 0.308 25452 1595 1 12 . 1 1 13 13 TYR CB C 13 39.718 39.718 38.563 1.155 25452 1596 1 12 . 1 1 13 13 TYR H H 13 7.616 7.616 7.657 -0.041 25452 1597 1 12 . 1 1 14 14 GLY CA C 14 46.708 46.708 46.009 0.699 25452 1598 1 12 . 1 1 14 14 GLY H H 14 7.825 7.825 8.081 -0.256 25452 1599 1 12 . 1 1 15 15 THR HA H 15 4.690 4.690 4.616 0.074 25452 1600 1 12 . 1 1 15 15 THR CA C 15 60.074 60.074 60.212 -0.138 25452 1601 1 12 . 1 1 15 15 THR CB C 15 71.665 71.665 70.500 1.165 25452 1602 1 12 . 1 1 15 15 THR H H 15 7.618 7.618 7.862 -0.244 25452 1603 1 12 . 1 1 16 16 LYS HA H 16 4.556 4.556 4.740 -0.184 25452 1604 1 12 . 1 1 16 16 LYS CA C 16 54.782 54.782 55.656 -0.874 25452 1605 1 12 . 1 1 16 16 LYS CB C 16 34.305 34.305 32.731 1.574 25452 1606 1 12 . 1 1 16 16 LYS H H 16 8.873 8.873 8.761 0.113 25452 1607 1 12 . 1 1 17 17 GLY CA C 17 44.600 44.600 44.844 -0.245 25452 1608 1 12 . 1 1 17 17 GLY H H 17 8.283 8.283 8.368 -0.085 25452 1609 1 12 . 1 1 18 18 PRO HA H 18 4.579 4.579 4.561 0.018 25452 1610 1 12 . 1 1 18 18 PRO CA C 18 62.799 62.799 62.558 0.241 25452 1611 1 12 . 1 1 18 18 PRO CB C 18 33.234 33.234 33.014 0.220 25452 1612 1 12 . 1 1 19 19 GLY CA C 19 43.985 43.985 43.411 0.574 25452 1613 1 12 . 1 1 19 19 GLY H H 19 8.535 8.535 8.368 0.167 25452 1614 1 12 . 1 1 20 20 CYS HA H 20 4.982 4.982 4.542 0.440 25452 1615 1 12 . 1 1 20 20 CYS CA C 20 55.904 55.904 59.971 -4.066 25452 1616 1 12 . 1 1 20 20 CYS CB C 20 39.643 39.643 25.746 13.897 25452 1617 1 12 . 1 1 20 20 CYS H H 20 9.178 9.178 8.813 0.365 25452 1618 1 12 . 1 1 21 21 CYS HA H 21 4.434 4.434 4.238 0.196 25452 1619 1 12 . 1 1 21 21 CYS CA C 21 56.857 56.857 60.889 -4.032 25452 1620 1 12 . 1 1 21 21 CYS CB C 21 39.151 39.151 27.530 11.621 25452 1621 1 12 . 1 1 21 21 CYS H H 21 9.959 9.959 8.735 1.224 25452 1622 1 12 . 1 1 22 22 ASN HA H 22 4.831 4.831 4.847 -0.016 25452 1623 1 12 . 1 1 22 22 ASN CA C 22 52.786 52.786 53.216 -0.430 25452 1624 1 12 . 1 1 22 22 ASN CB C 22 41.225 41.225 39.953 1.272 25452 1625 1 12 . 1 1 22 22 ASN H H 22 8.699 8.699 8.406 0.293 25452 1626 1 12 . 1 1 23 23 GLY CA C 23 45.394 45.394 45.303 0.091 25452 1627 1 12 . 1 1 23 23 GLY H H 23 8.394 8.394 8.131 0.263 25452 1628 1 12 . 1 1 24 24 LYS HA H 24 4.488 4.488 4.651 -0.163 25452 1629 1 12 . 1 1 24 24 LYS CA C 24 55.015 55.015 55.953 -0.938 25452 1630 1 12 . 1 1 24 24 LYS CB C 24 35.233 35.233 36.152 -0.919 25452 1631 1 12 . 1 1 24 24 LYS H H 24 8.189 8.189 8.248 -0.059 25452 1632 1 12 . 1 1 25 25 CYS HA H 25 4.701 4.701 4.587 0.114 25452 1633 1 12 . 1 1 25 25 CYS CA C 25 55.336 55.336 58.951 -3.615 25452 1634 1 12 . 1 1 25 25 CYS CB C 25 38.089 38.089 26.822 11.267 25452 1635 1 12 . 1 1 25 25 CYS H H 25 8.928 8.928 8.604 0.324 25452 1636 1 12 . 1 1 26 26 ILE HA H 26 4.249 4.249 4.233 0.016 25452 1637 1 12 . 1 1 26 26 ILE CA C 26 60.017 60.017 59.139 0.878 25452 1638 1 12 . 1 1 26 26 ILE CB C 26 38.295 38.295 36.716 1.579 25452 1639 1 12 . 1 1 26 26 ILE H H 26 8.272 8.272 9.018 -0.746 25452 1640 1 12 . 1 1 27 27 CYS HA H 27 5.292 5.292 4.429 0.863 25452 1641 1 12 . 1 1 27 27 CYS CA C 27 54.607 54.607 58.100 -3.493 25452 1642 1 12 . 1 1 27 27 CYS CB C 27 46.328 46.328 25.571 20.757 25452 1643 1 12 . 1 1 27 27 CYS H H 27 8.782 8.782 8.530 0.252 25452 1644 1 12 . 1 1 28 28 ARG HA H 28 4.566 4.566 4.729 -0.163 25452 1645 1 12 . 1 1 28 28 ARG CA C 28 55.129 55.129 53.983 1.145 25452 1646 1 12 . 1 1 28 28 ARG CB C 28 32.925 32.925 33.371 -0.446 25452 1647 1 12 . 1 1 28 28 ARG H H 28 8.644 8.644 8.226 0.418 25452 1648 1 12 . 1 1 29 29 THR HA H 29 4.573 4.573 4.452 0.121 25452 1649 1 12 . 1 1 29 29 THR CA C 29 62.315 62.315 61.850 0.465 25452 1650 1 12 . 1 1 29 29 THR CB C 29 69.965 69.965 68.944 1.021 25452 1651 1 12 . 1 1 29 29 THR H H 29 8.551 8.551 8.382 0.169 25452 1652 1 12 . 1 1 30 30 VAL HA H 30 4.444 4.444 4.477 -0.033 25452 1653 1 12 . 1 1 30 30 VAL CA C 30 60.186 60.186 59.077 1.109 25452 1654 1 12 . 1 1 30 30 VAL CB C 30 32.749 32.749 33.434 -0.685 25452 1655 1 12 . 1 1 30 30 VAL H H 30 8.578 8.578 8.291 0.287 25452 1656 1 12 . 1 1 31 31 PRO HA H 31 4.351 4.351 4.199 0.152 25452 1657 1 12 . 1 1 31 31 PRO CA C 31 64.468 64.468 65.006 -0.538 25452 1658 1 12 . 1 1 31 31 PRO CB C 31 32.294 32.294 31.983 0.311 25452 1659 1 12 . 1 1 32 32 ARG HA H 32 4.135 4.135 4.161 -0.026 25452 1660 1 12 . 1 1 32 32 ARG CA C 32 57.993 57.993 56.421 1.572 25452 1661 1 12 . 1 1 32 32 ARG CB C 32 29.785 29.785 29.128 0.657 25452 1662 1 12 . 1 1 32 32 ARG H H 32 8.658 8.658 8.095 0.563 25452 1663 1 12 . 1 1 33 33 LYS HA H 33 4.395 4.395 3.971 0.424 25452 1664 1 12 . 1 1 33 33 LYS CA C 33 56.622 56.622 57.302 -0.680 25452 1665 1 12 . 1 1 33 33 LYS CB C 33 33.815 33.815 29.254 4.561 25452 1666 1 12 . 1 1 33 33 LYS H H 33 8.200 8.200 8.435 -0.235 25452 1667 1 12 . 1 1 34 34 GLY CA C 34 46.119 46.119 44.653 1.466 25452 1668 1 12 . 1 1 34 34 GLY H H 34 8.501 8.501 8.158 0.343 25452 1669 1 12 . 1 1 35 35 VAL HA H 35 4.417 4.417 3.966 0.451 25452 1670 1 12 . 1 1 35 35 VAL CA C 35 60.474 60.474 61.879 -1.405 25452 1671 1 12 . 1 1 35 35 VAL CB C 35 34.629 34.629 30.740 3.889 25452 1672 1 12 . 1 1 35 35 VAL H H 35 7.317 7.317 8.264 -0.947 25452 1673 1 12 . 1 1 36 36 ASN HA H 36 5.145 5.145 4.465 0.680 25452 1674 1 12 . 1 1 36 36 ASN CA C 36 53.013 53.013 54.261 -1.248 25452 1675 1 12 . 1 1 36 36 ASN CB C 36 40.500 40.500 36.227 4.272 25452 1676 1 12 . 1 1 36 36 ASN H H 36 8.789 8.789 8.207 0.582 25452 1677 1 12 . 1 1 37 37 SER HA H 37 4.656 4.656 4.461 0.195 25452 1678 1 12 . 1 1 37 37 SER CA C 37 57.429 57.429 58.575 -1.146 25452 1679 1 12 . 1 1 37 37 SER CB C 37 64.251 64.251 63.704 0.547 25452 1680 1 12 . 1 1 37 37 SER H H 37 8.774 8.774 8.262 0.512 25452 1681 1 12 . 1 1 38 38 CYS HA H 38 5.566 5.566 4.773 0.793 25452 1682 1 12 . 1 1 38 38 CYS CA C 38 55.624 55.624 57.898 -2.274 25452 1683 1 12 . 1 1 38 38 CYS CB C 38 48.350 48.350 27.267 21.083 25452 1684 1 12 . 1 1 38 38 CYS H H 38 8.973 8.973 8.906 0.067 25452 1685 1 12 . 1 1 39 39 ARG HA H 39 5.120 5.120 4.886 0.234 25452 1686 1 12 . 1 1 39 39 ARG CA C 39 54.635 54.635 53.704 0.931 25452 1687 1 12 . 1 1 39 39 ARG CB C 39 36.013 36.013 31.998 4.015 25452 1688 1 12 . 1 1 39 39 ARG H H 39 8.787 8.787 8.495 0.292 25452 1689 1 12 . 1 1 40 40 CYS HA H 40 4.925 4.925 4.790 0.135 25452 1690 1 12 . 1 1 40 40 CYS CA C 40 56.037 56.037 60.863 -4.826 25452 1691 1 12 . 1 1 40 40 CYS CB C 40 39.651 39.651 25.497 14.154 25452 1692 1 12 . 1 1 40 40 CYS H H 40 8.580 8.580 8.636 -0.056 25452 1693 1 13 . 1 1 2 2 ALA HA H 2 4.738 4.738 4.514 0.224 25452 1694 1 13 . 1 1 2 2 ALA CA C 2 51.709 51.709 52.146 -0.437 25452 1695 1 13 . 1 1 2 2 ALA CB C 2 21.586 21.586 19.902 1.684 25452 1696 1 13 . 1 1 2 2 ALA H H 2 9.549 9.549 8.413 1.136 25452 1697 1 13 . 1 1 3 3 SER HA H 3 4.413 4.413 4.495 -0.082 25452 1698 1 13 . 1 1 3 3 SER CA C 3 58.103 58.103 56.187 1.916 25452 1699 1 13 . 1 1 3 3 SER CB C 3 64.407 64.407 64.704 -0.297 25452 1700 1 13 . 1 1 3 3 SER H H 3 9.174 9.174 8.460 0.714 25452 1701 1 13 . 1 1 4 4 LYS HA H 4 3.751 3.751 3.957 -0.206 25452 1702 1 13 . 1 1 4 4 LYS CA C 4 59.020 59.020 58.527 0.493 25452 1703 1 13 . 1 1 4 4 LYS H H 4 8.275 8.275 8.366 -0.091 25452 1704 1 13 . 1 1 5 5 ASN HA H 5 4.366 4.366 4.331 0.035 25452 1705 1 13 . 1 1 5 5 ASN CA C 5 55.761 55.761 54.972 0.789 25452 1706 1 13 . 1 1 5 5 ASN CB C 5 38.046 38.046 37.921 0.125 25452 1707 1 13 . 1 1 5 5 ASN H H 5 9.046 9.046 8.990 0.056 25452 1708 1 13 . 1 1 6 6 GLU HA H 6 4.461 4.461 4.527 -0.066 25452 1709 1 13 . 1 1 6 6 GLU CA C 6 55.983 55.983 54.718 1.264 25452 1710 1 13 . 1 1 6 6 GLU CB C 6 31.173 31.173 31.210 -0.038 25452 1711 1 13 . 1 1 6 6 GLU H H 6 8.024 8.024 7.817 0.207 25452 1712 1 13 . 1 1 7 7 ARG HA H 7 4.641 4.641 4.455 0.186 25452 1713 1 13 . 1 1 7 7 ARG CA C 7 57.262 57.262 56.758 0.504 25452 1714 1 13 . 1 1 7 7 ARG CB C 7 30.703 30.703 30.142 0.561 25452 1715 1 13 . 1 1 7 7 ARG H H 7 8.466 8.466 8.545 -0.079 25452 1716 1 13 . 1 1 8 8 CYS HA H 8 5.089 5.089 5.270 -0.181 25452 1717 1 13 . 1 1 8 8 CYS CA C 8 52.465 52.465 55.849 -3.384 25452 1718 1 13 . 1 1 8 8 CYS CB C 8 48.107 48.107 30.814 17.293 25452 1719 1 13 . 1 1 8 8 CYS H H 8 7.408 7.408 8.247 -0.839 25452 1720 1 13 . 1 1 9 9 GLY CA C 9 43.986 43.986 43.922 0.064 25452 1721 1 13 . 1 1 9 9 GLY H H 9 8.194 8.194 8.497 -0.303 25452 1722 1 13 . 1 1 10 10 ASN HA H 10 4.715 4.715 4.924 -0.209 25452 1723 1 13 . 1 1 10 10 ASN CA C 10 52.895 52.895 52.932 -0.037 25452 1724 1 13 . 1 1 10 10 ASN CB C 10 42.114 42.114 41.173 0.941 25452 1725 1 13 . 1 1 10 10 ASN H H 10 8.083 8.083 8.343 -0.260 25452 1726 1 13 . 1 1 11 11 ALA HA H 11 4.194 4.194 4.172 0.022 25452 1727 1 13 . 1 1 11 11 ALA CA C 11 55.288 55.288 54.708 0.580 25452 1728 1 13 . 1 1 11 11 ALA CB C 11 18.639 18.639 19.053 -0.414 25452 1729 1 13 . 1 1 11 11 ALA H H 11 9.249 9.249 8.926 0.323 25452 1730 1 13 . 1 1 12 12 LEU HA H 12 4.092 4.092 4.019 0.073 25452 1731 1 13 . 1 1 12 12 LEU CA C 12 57.320 57.320 57.340 -0.020 25452 1732 1 13 . 1 1 12 12 LEU CB C 12 41.383 41.383 41.941 -0.558 25452 1733 1 13 . 1 1 12 12 LEU H H 12 8.145 8.145 8.472 -0.327 25452 1734 1 13 . 1 1 13 13 TYR HA H 13 4.515 4.515 4.596 -0.081 25452 1735 1 13 . 1 1 13 13 TYR CA C 13 57.712 57.712 57.591 0.121 25452 1736 1 13 . 1 1 13 13 TYR CB C 13 39.718 39.718 38.527 1.191 25452 1737 1 13 . 1 1 13 13 TYR H H 13 7.616 7.616 7.773 -0.157 25452 1738 1 13 . 1 1 14 14 GLY CA C 14 46.708 46.708 46.038 0.670 25452 1739 1 13 . 1 1 14 14 GLY H H 14 7.825 7.825 8.052 -0.227 25452 1740 1 13 . 1 1 15 15 THR HA H 15 4.690 4.690 4.627 0.063 25452 1741 1 13 . 1 1 15 15 THR CA C 15 60.074 60.074 60.095 -0.021 25452 1742 1 13 . 1 1 15 15 THR CB C 15 71.665 71.665 70.860 0.805 25452 1743 1 13 . 1 1 15 15 THR H H 15 7.618 7.618 7.827 -0.209 25452 1744 1 13 . 1 1 16 16 LYS HA H 16 4.556 4.556 4.700 -0.144 25452 1745 1 13 . 1 1 16 16 LYS CA C 16 54.782 54.782 55.657 -0.875 25452 1746 1 13 . 1 1 16 16 LYS CB C 16 34.305 34.305 31.960 2.345 25452 1747 1 13 . 1 1 16 16 LYS H H 16 8.873 8.873 8.831 0.042 25452 1748 1 13 . 1 1 17 17 GLY CA C 17 44.600 44.600 44.652 -0.052 25452 1749 1 13 . 1 1 17 17 GLY H H 17 8.283 8.283 8.301 -0.018 25452 1750 1 13 . 1 1 18 18 PRO HA H 18 4.579 4.579 4.494 0.085 25452 1751 1 13 . 1 1 18 18 PRO CA C 18 62.799 62.799 62.638 0.161 25452 1752 1 13 . 1 1 18 18 PRO CB C 18 33.234 33.234 32.852 0.382 25452 1753 1 13 . 1 1 19 19 GLY CA C 19 43.985 43.985 43.893 0.092 25452 1754 1 13 . 1 1 19 19 GLY H H 19 8.535 8.535 8.480 0.055 25452 1755 1 13 . 1 1 20 20 CYS HA H 20 4.982 4.982 4.607 0.375 25452 1756 1 13 . 1 1 20 20 CYS CA C 20 55.904 55.904 59.188 -3.284 25452 1757 1 13 . 1 1 20 20 CYS CB C 20 39.643 39.643 25.948 13.695 25452 1758 1 13 . 1 1 20 20 CYS H H 20 9.178 9.178 8.559 0.619 25452 1759 1 13 . 1 1 21 21 CYS HA H 21 4.434 4.434 4.129 0.305 25452 1760 1 13 . 1 1 21 21 CYS CA C 21 56.857 56.857 61.744 -4.887 25452 1761 1 13 . 1 1 21 21 CYS CB C 21 39.151 39.151 27.370 11.781 25452 1762 1 13 . 1 1 21 21 CYS H H 21 9.959 9.959 9.071 0.888 25452 1763 1 13 . 1 1 22 22 ASN HA H 22 4.831 4.831 4.750 0.081 25452 1764 1 13 . 1 1 22 22 ASN CA C 22 52.786 52.786 53.637 -0.851 25452 1765 1 13 . 1 1 22 22 ASN CB C 22 41.225 41.225 39.615 1.610 25452 1766 1 13 . 1 1 22 22 ASN H H 22 8.699 8.699 8.050 0.649 25452 1767 1 13 . 1 1 23 23 GLY CA C 23 45.394 45.394 45.250 0.144 25452 1768 1 13 . 1 1 23 23 GLY H H 23 8.394 8.394 8.148 0.246 25452 1769 1 13 . 1 1 24 24 LYS HA H 24 4.488 4.488 4.635 -0.147 25452 1770 1 13 . 1 1 24 24 LYS CA C 24 55.015 55.015 55.759 -0.744 25452 1771 1 13 . 1 1 24 24 LYS CB C 24 35.233 35.233 34.967 0.266 25452 1772 1 13 . 1 1 24 24 LYS H H 24 8.189 8.189 8.219 -0.030 25452 1773 1 13 . 1 1 25 25 CYS HA H 25 4.701 4.701 4.613 0.088 25452 1774 1 13 . 1 1 25 25 CYS CA C 25 55.336 55.336 58.462 -3.127 25452 1775 1 13 . 1 1 25 25 CYS CB C 25 38.089 38.089 27.214 10.875 25452 1776 1 13 . 1 1 25 25 CYS H H 25 8.928 8.928 8.742 0.186 25452 1777 1 13 . 1 1 26 26 ILE HA H 26 4.249 4.249 4.259 -0.010 25452 1778 1 13 . 1 1 26 26 ILE CA C 26 60.017 60.017 59.002 1.016 25452 1779 1 13 . 1 1 26 26 ILE CB C 26 38.295 38.295 36.886 1.409 25452 1780 1 13 . 1 1 26 26 ILE H H 26 8.272 8.272 9.030 -0.758 25452 1781 1 13 . 1 1 27 27 CYS HA H 27 5.292 5.292 4.310 0.982 25452 1782 1 13 . 1 1 27 27 CYS CA C 27 54.607 54.607 58.661 -4.054 25452 1783 1 13 . 1 1 27 27 CYS CB C 27 46.328 46.328 25.832 20.496 25452 1784 1 13 . 1 1 27 27 CYS H H 27 8.782 8.782 8.713 0.069 25452 1785 1 13 . 1 1 28 28 ARG HA H 28 4.566 4.566 4.695 -0.129 25452 1786 1 13 . 1 1 28 28 ARG CA C 28 55.129 55.129 54.967 0.162 25452 1787 1 13 . 1 1 28 28 ARG CB C 28 32.925 32.925 34.233 -1.308 25452 1788 1 13 . 1 1 28 28 ARG H H 28 8.644 8.644 8.428 0.216 25452 1789 1 13 . 1 1 29 29 THR HA H 29 4.573 4.573 4.597 -0.024 25452 1790 1 13 . 1 1 29 29 THR CA C 29 62.315 62.315 62.346 -0.031 25452 1791 1 13 . 1 1 29 29 THR CB C 29 69.965 69.965 69.703 0.262 25452 1792 1 13 . 1 1 29 29 THR H H 29 8.551 8.551 8.409 0.142 25452 1793 1 13 . 1 1 30 30 VAL HA H 30 4.444 4.444 4.489 -0.045 25452 1794 1 13 . 1 1 30 30 VAL CA C 30 60.186 60.186 58.919 1.267 25452 1795 1 13 . 1 1 30 30 VAL CB C 30 32.749 32.749 34.743 -1.994 25452 1796 1 13 . 1 1 30 30 VAL H H 30 8.578 8.578 8.407 0.171 25452 1797 1 13 . 1 1 31 31 PRO HA H 31 4.351 4.351 4.225 0.126 25452 1798 1 13 . 1 1 31 31 PRO CA C 31 64.468 64.468 64.774 -0.306 25452 1799 1 13 . 1 1 31 31 PRO CB C 31 32.294 32.294 31.820 0.474 25452 1800 1 13 . 1 1 32 32 ARG HA H 32 4.135 4.135 4.200 -0.065 25452 1801 1 13 . 1 1 32 32 ARG CA C 32 57.993 57.993 56.371 1.622 25452 1802 1 13 . 1 1 32 32 ARG CB C 32 29.785 29.785 28.704 1.081 25452 1803 1 13 . 1 1 32 32 ARG H H 32 8.658 8.658 8.146 0.512 25452 1804 1 13 . 1 1 33 33 LYS HA H 33 4.395 4.395 4.016 0.379 25452 1805 1 13 . 1 1 33 33 LYS CA C 33 56.622 56.622 57.116 -0.494 25452 1806 1 13 . 1 1 33 33 LYS CB C 33 33.815 33.815 29.982 3.833 25452 1807 1 13 . 1 1 33 33 LYS H H 33 8.200 8.200 8.536 -0.336 25452 1808 1 13 . 1 1 34 34 GLY CA C 34 46.119 46.119 44.913 1.206 25452 1809 1 13 . 1 1 34 34 GLY H H 34 8.501 8.501 8.095 0.406 25452 1810 1 13 . 1 1 35 35 VAL HA H 35 4.417 4.417 4.081 0.336 25452 1811 1 13 . 1 1 35 35 VAL CA C 35 60.474 60.474 62.505 -2.031 25452 1812 1 13 . 1 1 35 35 VAL CB C 35 34.629 34.629 31.204 3.425 25452 1813 1 13 . 1 1 35 35 VAL H H 35 7.317 7.317 8.205 -0.888 25452 1814 1 13 . 1 1 36 36 ASN HA H 36 5.145 5.145 4.445 0.700 25452 1815 1 13 . 1 1 36 36 ASN CA C 36 53.013 53.013 54.074 -1.061 25452 1816 1 13 . 1 1 36 36 ASN CB C 36 40.500 40.500 36.768 3.732 25452 1817 1 13 . 1 1 36 36 ASN H H 36 8.789 8.789 8.479 0.310 25452 1818 1 13 . 1 1 37 37 SER HA H 37 4.656 4.656 4.520 0.136 25452 1819 1 13 . 1 1 37 37 SER CA C 37 57.429 57.429 58.394 -0.965 25452 1820 1 13 . 1 1 37 37 SER CB C 37 64.251 64.251 63.038 1.213 25452 1821 1 13 . 1 1 37 37 SER H H 37 8.774 8.774 8.094 0.680 25452 1822 1 13 . 1 1 38 38 CYS HA H 38 5.566 5.566 4.914 0.652 25452 1823 1 13 . 1 1 38 38 CYS CA C 38 55.624 55.624 58.017 -2.393 25452 1824 1 13 . 1 1 38 38 CYS CB C 38 48.350 48.350 27.489 20.861 25452 1825 1 13 . 1 1 38 38 CYS H H 38 8.973 8.973 8.592 0.381 25452 1826 1 13 . 1 1 39 39 ARG HA H 39 5.120 5.120 4.670 0.450 25452 1827 1 13 . 1 1 39 39 ARG CA C 39 54.635 54.635 54.096 0.539 25452 1828 1 13 . 1 1 39 39 ARG CB C 39 36.013 36.013 33.714 2.299 25452 1829 1 13 . 1 1 39 39 ARG H H 39 8.787 8.787 8.617 0.170 25452 1830 1 13 . 1 1 40 40 CYS HA H 40 4.925 4.925 4.752 0.173 25452 1831 1 13 . 1 1 40 40 CYS CA C 40 56.037 56.037 60.456 -4.418 25452 1832 1 13 . 1 1 40 40 CYS CB C 40 39.651 39.651 26.017 13.634 25452 1833 1 13 . 1 1 40 40 CYS H H 40 8.580 8.580 8.395 0.185 25452 1834 1 14 . 1 1 2 2 ALA HA H 2 4.738 4.738 4.473 0.265 25452 1835 1 14 . 1 1 2 2 ALA CA C 2 51.709 51.709 51.568 0.141 25452 1836 1 14 . 1 1 2 2 ALA CB C 2 21.586 21.586 20.091 1.495 25452 1837 1 14 . 1 1 2 2 ALA H H 2 9.549 9.549 8.476 1.073 25452 1838 1 14 . 1 1 3 3 SER HA H 3 4.413 4.413 4.485 -0.072 25452 1839 1 14 . 1 1 3 3 SER CA C 3 58.103 58.103 56.485 1.618 25452 1840 1 14 . 1 1 3 3 SER CB C 3 64.407 64.407 64.339 0.068 25452 1841 1 14 . 1 1 3 3 SER H H 3 9.174 9.174 8.490 0.684 25452 1842 1 14 . 1 1 4 4 LYS HA H 4 3.751 3.751 4.037 -0.286 25452 1843 1 14 . 1 1 4 4 LYS CA C 4 59.020 59.020 58.048 0.972 25452 1844 1 14 . 1 1 4 4 LYS H H 4 8.275 8.275 8.477 -0.202 25452 1845 1 14 . 1 1 5 5 ASN HA H 5 4.366 4.366 4.297 0.069 25452 1846 1 14 . 1 1 5 5 ASN CA C 5 55.761 55.761 54.568 1.193 25452 1847 1 14 . 1 1 5 5 ASN CB C 5 38.046 38.046 36.815 1.231 25452 1848 1 14 . 1 1 5 5 ASN H H 5 9.046 9.046 8.689 0.357 25452 1849 1 14 . 1 1 6 6 GLU HA H 6 4.461 4.461 4.381 0.080 25452 1850 1 14 . 1 1 6 6 GLU CA C 6 55.983 55.983 55.281 0.702 25452 1851 1 14 . 1 1 6 6 GLU CB C 6 31.173 31.173 32.969 -1.796 25452 1852 1 14 . 1 1 6 6 GLU H H 6 8.024 8.024 7.647 0.377 25452 1853 1 14 . 1 1 7 7 ARG HA H 7 4.641 4.641 4.610 0.031 25452 1854 1 14 . 1 1 7 7 ARG CA C 7 57.262 57.262 55.909 1.353 25452 1855 1 14 . 1 1 7 7 ARG CB C 7 30.703 30.703 29.039 1.664 25452 1856 1 14 . 1 1 7 7 ARG H H 7 8.466 8.466 8.412 0.054 25452 1857 1 14 . 1 1 8 8 CYS HA H 8 5.089 5.089 5.234 -0.145 25452 1858 1 14 . 1 1 8 8 CYS CA C 8 52.465 52.465 56.209 -3.744 25452 1859 1 14 . 1 1 8 8 CYS CB C 8 48.107 48.107 30.610 17.497 25452 1860 1 14 . 1 1 8 8 CYS H H 8 7.408 7.408 8.295 -0.887 25452 1861 1 14 . 1 1 9 9 GLY CA C 9 43.986 43.986 43.914 0.072 25452 1862 1 14 . 1 1 9 9 GLY H H 9 8.194 8.194 8.576 -0.382 25452 1863 1 14 . 1 1 10 10 ASN HA H 10 4.715 4.715 4.930 -0.215 25452 1864 1 14 . 1 1 10 10 ASN CA C 10 52.895 52.895 52.987 -0.092 25452 1865 1 14 . 1 1 10 10 ASN CB C 10 42.114 42.114 41.351 0.763 25452 1866 1 14 . 1 1 10 10 ASN H H 10 8.083 8.083 8.222 -0.139 25452 1867 1 14 . 1 1 11 11 ALA HA H 11 4.194 4.194 4.144 0.050 25452 1868 1 14 . 1 1 11 11 ALA CA C 11 55.288 55.288 54.846 0.442 25452 1869 1 14 . 1 1 11 11 ALA CB C 11 18.639 18.639 18.866 -0.227 25452 1870 1 14 . 1 1 11 11 ALA H H 11 9.249 9.249 8.930 0.319 25452 1871 1 14 . 1 1 12 12 LEU HA H 12 4.092 4.092 4.061 0.031 25452 1872 1 14 . 1 1 12 12 LEU CA C 12 57.320 57.320 57.427 -0.107 25452 1873 1 14 . 1 1 12 12 LEU CB C 12 41.383 41.383 42.590 -1.207 25452 1874 1 14 . 1 1 12 12 LEU H H 12 8.145 8.145 8.516 -0.371 25452 1875 1 14 . 1 1 13 13 TYR HA H 13 4.515 4.515 4.626 -0.111 25452 1876 1 14 . 1 1 13 13 TYR CA C 13 57.712 57.712 57.596 0.116 25452 1877 1 14 . 1 1 13 13 TYR CB C 13 39.718 39.718 38.299 1.419 25452 1878 1 14 . 1 1 13 13 TYR H H 13 7.616 7.616 7.650 -0.034 25452 1879 1 14 . 1 1 14 14 GLY CA C 14 46.708 46.708 46.085 0.623 25452 1880 1 14 . 1 1 14 14 GLY H H 14 7.825 7.825 7.982 -0.157 25452 1881 1 14 . 1 1 15 15 THR HA H 15 4.690 4.690 4.540 0.150 25452 1882 1 14 . 1 1 15 15 THR CA C 15 60.074 60.074 60.579 -0.505 25452 1883 1 14 . 1 1 15 15 THR CB C 15 71.665 71.665 70.361 1.304 25452 1884 1 14 . 1 1 15 15 THR H H 15 7.618 7.618 7.952 -0.334 25452 1885 1 14 . 1 1 16 16 LYS HA H 16 4.556 4.556 4.580 -0.024 25452 1886 1 14 . 1 1 16 16 LYS CA C 16 54.782 54.782 56.030 -1.248 25452 1887 1 14 . 1 1 16 16 LYS CB C 16 34.305 34.305 32.667 1.638 25452 1888 1 14 . 1 1 16 16 LYS H H 16 8.873 8.873 8.634 0.239 25452 1889 1 14 . 1 1 17 17 GLY CA C 17 44.600 44.600 44.189 0.411 25452 1890 1 14 . 1 1 17 17 GLY H H 17 8.283 8.283 7.835 0.448 25452 1891 1 14 . 1 1 18 18 PRO HA H 18 4.579 4.579 4.497 0.082 25452 1892 1 14 . 1 1 18 18 PRO CA C 18 62.799 62.799 62.609 0.190 25452 1893 1 14 . 1 1 18 18 PRO CB C 18 33.234 33.234 33.016 0.218 25452 1894 1 14 . 1 1 19 19 GLY CA C 19 43.985 43.985 43.816 0.169 25452 1895 1 14 . 1 1 19 19 GLY H H 19 8.535 8.535 8.475 0.060 25452 1896 1 14 . 1 1 20 20 CYS HA H 20 4.982 4.982 4.430 0.552 25452 1897 1 14 . 1 1 20 20 CYS CA C 20 55.904 55.904 59.385 -3.481 25452 1898 1 14 . 1 1 20 20 CYS CB C 20 39.643 39.643 25.808 13.835 25452 1899 1 14 . 1 1 20 20 CYS H H 20 9.178 9.178 8.632 0.546 25452 1900 1 14 . 1 1 21 21 CYS HA H 21 4.434 4.434 4.163 0.271 25452 1901 1 14 . 1 1 21 21 CYS CA C 21 56.857 56.857 61.813 -4.956 25452 1902 1 14 . 1 1 21 21 CYS CB C 21 39.151 39.151 27.529 11.622 25452 1903 1 14 . 1 1 21 21 CYS H H 21 9.959 9.959 8.701 1.258 25452 1904 1 14 . 1 1 22 22 ASN HA H 22 4.831 4.831 4.830 0.001 25452 1905 1 14 . 1 1 22 22 ASN CA C 22 52.786 52.786 53.003 -0.217 25452 1906 1 14 . 1 1 22 22 ASN CB C 22 41.225 41.225 40.520 0.705 25452 1907 1 14 . 1 1 22 22 ASN H H 22 8.699 8.699 8.210 0.489 25452 1908 1 14 . 1 1 23 23 GLY CA C 23 45.394 45.394 44.910 0.484 25452 1909 1 14 . 1 1 23 23 GLY H H 23 8.394 8.394 8.155 0.239 25452 1910 1 14 . 1 1 24 24 LYS HA H 24 4.488 4.488 4.602 -0.114 25452 1911 1 14 . 1 1 24 24 LYS CA C 24 55.015 55.015 55.874 -0.859 25452 1912 1 14 . 1 1 24 24 LYS CB C 24 35.233 35.233 35.068 0.165 25452 1913 1 14 . 1 1 24 24 LYS H H 24 8.189 8.189 8.381 -0.192 25452 1914 1 14 . 1 1 25 25 CYS HA H 25 4.701 4.701 4.550 0.151 25452 1915 1 14 . 1 1 25 25 CYS CA C 25 55.336 55.336 59.414 -4.079 25452 1916 1 14 . 1 1 25 25 CYS CB C 25 38.089 38.089 26.949 11.140 25452 1917 1 14 . 1 1 25 25 CYS H H 25 8.928 8.928 8.816 0.112 25452 1918 1 14 . 1 1 26 26 ILE HA H 26 4.249 4.249 4.275 -0.026 25452 1919 1 14 . 1 1 26 26 ILE CA C 26 60.017 60.017 59.062 0.955 25452 1920 1 14 . 1 1 26 26 ILE CB C 26 38.295 38.295 37.456 0.839 25452 1921 1 14 . 1 1 26 26 ILE H H 26 8.272 8.272 8.912 -0.640 25452 1922 1 14 . 1 1 27 27 CYS HA H 27 5.292 5.292 4.686 0.606 25452 1923 1 14 . 1 1 27 27 CYS CA C 27 54.607 54.607 58.150 -3.543 25452 1924 1 14 . 1 1 27 27 CYS CB C 27 46.328 46.328 26.651 19.677 25452 1925 1 14 . 1 1 27 27 CYS H H 27 8.782 8.782 8.534 0.248 25452 1926 1 14 . 1 1 28 28 ARG HA H 28 4.566 4.566 4.685 -0.119 25452 1927 1 14 . 1 1 28 28 ARG CA C 28 55.129 55.129 55.420 -0.291 25452 1928 1 14 . 1 1 28 28 ARG CB C 28 32.925 32.925 34.294 -1.369 25452 1929 1 14 . 1 1 28 28 ARG H H 28 8.644 8.644 8.553 0.091 25452 1930 1 14 . 1 1 29 29 THR HA H 29 4.573 4.573 5.371 -0.798 25452 1931 1 14 . 1 1 29 29 THR CA C 29 62.315 62.315 60.729 1.586 25452 1932 1 14 . 1 1 29 29 THR CB C 29 69.965 69.965 69.279 0.686 25452 1933 1 14 . 1 1 29 29 THR H H 29 8.551 8.551 8.298 0.253 25452 1934 1 14 . 1 1 30 30 VAL HA H 30 4.444 4.444 4.787 -0.343 25452 1935 1 14 . 1 1 30 30 VAL CA C 30 60.186 60.186 58.024 2.162 25452 1936 1 14 . 1 1 30 30 VAL CB C 30 32.749 32.749 34.776 -2.027 25452 1937 1 14 . 1 1 30 30 VAL H H 30 8.578 8.578 8.137 0.441 25452 1938 1 14 . 1 1 31 31 PRO HA H 31 4.351 4.351 4.200 0.151 25452 1939 1 14 . 1 1 31 31 PRO CA C 31 64.468 64.468 64.866 -0.398 25452 1940 1 14 . 1 1 31 31 PRO CB C 31 32.294 32.294 31.809 0.485 25452 1941 1 14 . 1 1 32 32 ARG HA H 32 4.135 4.135 4.196 -0.061 25452 1942 1 14 . 1 1 32 32 ARG CA C 32 57.993 57.993 56.267 1.726 25452 1943 1 14 . 1 1 32 32 ARG CB C 32 29.785 29.785 28.527 1.258 25452 1944 1 14 . 1 1 32 32 ARG H H 32 8.658 8.658 8.178 0.480 25452 1945 1 14 . 1 1 33 33 LYS HA H 33 4.395 4.395 3.976 0.419 25452 1946 1 14 . 1 1 33 33 LYS CA C 33 56.622 56.622 57.370 -0.748 25452 1947 1 14 . 1 1 33 33 LYS CB C 33 33.815 33.815 30.435 3.380 25452 1948 1 14 . 1 1 33 33 LYS H H 33 8.200 8.200 8.668 -0.468 25452 1949 1 14 . 1 1 34 34 GLY CA C 34 46.119 46.119 44.605 1.514 25452 1950 1 14 . 1 1 34 34 GLY H H 34 8.501 8.501 8.273 0.228 25452 1951 1 14 . 1 1 35 35 VAL HA H 35 4.417 4.417 3.989 0.428 25452 1952 1 14 . 1 1 35 35 VAL CA C 35 60.474 60.474 62.156 -1.682 25452 1953 1 14 . 1 1 35 35 VAL CB C 35 34.629 34.629 30.796 3.833 25452 1954 1 14 . 1 1 35 35 VAL H H 35 7.317 7.317 7.565 -0.248 25452 1955 1 14 . 1 1 36 36 ASN HA H 36 5.145 5.145 4.475 0.670 25452 1956 1 14 . 1 1 36 36 ASN CA C 36 53.013 53.013 54.075 -1.062 25452 1957 1 14 . 1 1 36 36 ASN CB C 36 40.500 40.500 37.049 3.451 25452 1958 1 14 . 1 1 36 36 ASN H H 36 8.789 8.789 8.241 0.548 25452 1959 1 14 . 1 1 37 37 SER HA H 37 4.656 4.656 4.573 0.083 25452 1960 1 14 . 1 1 37 37 SER CA C 37 57.429 57.429 58.017 -0.588 25452 1961 1 14 . 1 1 37 37 SER CB C 37 64.251 64.251 63.498 0.752 25452 1962 1 14 . 1 1 37 37 SER H H 37 8.774 8.774 8.035 0.739 25452 1963 1 14 . 1 1 38 38 CYS HA H 38 5.566 5.566 4.918 0.648 25452 1964 1 14 . 1 1 38 38 CYS CA C 38 55.624 55.624 57.993 -2.369 25452 1965 1 14 . 1 1 38 38 CYS CB C 38 48.350 48.350 26.789 21.561 25452 1966 1 14 . 1 1 38 38 CYS H H 38 8.973 8.973 8.791 0.182 25452 1967 1 14 . 1 1 39 39 ARG HA H 39 5.120 5.120 5.131 -0.011 25452 1968 1 14 . 1 1 39 39 ARG CA C 39 54.635 54.635 53.936 0.699 25452 1969 1 14 . 1 1 39 39 ARG CB C 39 36.013 36.013 33.752 2.260 25452 1970 1 14 . 1 1 39 39 ARG H H 39 8.787 8.787 8.410 0.377 25452 1971 1 14 . 1 1 40 40 CYS HA H 40 4.925 4.925 4.634 0.291 25452 1972 1 14 . 1 1 40 40 CYS CA C 40 56.037 56.037 60.330 -4.293 25452 1973 1 14 . 1 1 40 40 CYS CB C 40 39.651 39.651 25.601 14.050 25452 1974 1 14 . 1 1 40 40 CYS H H 40 8.580 8.580 8.543 0.037 25452 1975 1 15 . 1 1 2 2 ALA HA H 2 4.738 4.738 4.592 0.146 25452 1976 1 15 . 1 1 2 2 ALA CA C 2 51.709 51.709 51.974 -0.265 25452 1977 1 15 . 1 1 2 2 ALA CB C 2 21.586 21.586 20.347 1.239 25452 1978 1 15 . 1 1 2 2 ALA H H 2 9.549 9.549 8.567 0.982 25452 1979 1 15 . 1 1 3 3 SER HA H 3 4.413 4.413 4.796 -0.383 25452 1980 1 15 . 1 1 3 3 SER CA C 3 58.103 58.103 56.188 1.915 25452 1981 1 15 . 1 1 3 3 SER CB C 3 64.407 64.407 65.489 -1.082 25452 1982 1 15 . 1 1 3 3 SER H H 3 9.174 9.174 8.449 0.725 25452 1983 1 15 . 1 1 4 4 LYS HA H 4 3.751 3.751 4.023 -0.272 25452 1984 1 15 . 1 1 4 4 LYS CA C 4 59.020 59.020 57.975 1.045 25452 1985 1 15 . 1 1 4 4 LYS H H 4 8.275 8.275 8.542 -0.267 25452 1986 1 15 . 1 1 5 5 ASN HA H 5 4.366 4.366 4.238 0.128 25452 1987 1 15 . 1 1 5 5 ASN CA C 5 55.761 55.761 54.693 1.068 25452 1988 1 15 . 1 1 5 5 ASN CB C 5 38.046 38.046 37.530 0.516 25452 1989 1 15 . 1 1 5 5 ASN H H 5 9.046 9.046 8.816 0.230 25452 1990 1 15 . 1 1 6 6 GLU HA H 6 4.461 4.461 4.586 -0.125 25452 1991 1 15 . 1 1 6 6 GLU CA C 6 55.983 55.983 54.714 1.269 25452 1992 1 15 . 1 1 6 6 GLU CB C 6 31.173 31.173 32.290 -1.117 25452 1993 1 15 . 1 1 6 6 GLU H H 6 8.024 8.024 7.868 0.156 25452 1994 1 15 . 1 1 7 7 ARG HA H 7 4.641 4.641 4.533 0.108 25452 1995 1 15 . 1 1 7 7 ARG CA C 7 57.262 57.262 56.220 1.042 25452 1996 1 15 . 1 1 7 7 ARG CB C 7 30.703 30.703 30.346 0.357 25452 1997 1 15 . 1 1 7 7 ARG H H 7 8.466 8.466 8.368 0.098 25452 1998 1 15 . 1 1 8 8 CYS HA H 8 5.089 5.089 5.142 -0.053 25452 1999 1 15 . 1 1 8 8 CYS CA C 8 52.465 52.465 56.279 -3.814 25452 2000 1 15 . 1 1 8 8 CYS CB C 8 48.107 48.107 30.943 17.164 25452 2001 1 15 . 1 1 8 8 CYS H H 8 7.408 7.408 8.486 -1.078 25452 2002 1 15 . 1 1 9 9 GLY CA C 9 43.986 43.986 44.141 -0.155 25452 2003 1 15 . 1 1 9 9 GLY H H 9 8.194 8.194 8.573 -0.379 25452 2004 1 15 . 1 1 10 10 ASN HA H 10 4.715 4.715 4.943 -0.228 25452 2005 1 15 . 1 1 10 10 ASN CA C 10 52.895 52.895 53.061 -0.166 25452 2006 1 15 . 1 1 10 10 ASN CB C 10 42.114 42.114 41.492 0.621 25452 2007 1 15 . 1 1 10 10 ASN H H 10 8.083 8.083 8.304 -0.221 25452 2008 1 15 . 1 1 11 11 ALA HA H 11 4.194 4.194 4.134 0.060 25452 2009 1 15 . 1 1 11 11 ALA CA C 11 55.288 55.288 54.888 0.400 25452 2010 1 15 . 1 1 11 11 ALA CB C 11 18.639 18.639 18.819 -0.180 25452 2011 1 15 . 1 1 11 11 ALA H H 11 9.249 9.249 8.932 0.317 25452 2012 1 15 . 1 1 12 12 LEU HA H 12 4.092 4.092 4.044 0.048 25452 2013 1 15 . 1 1 12 12 LEU CA C 12 57.320 57.320 57.431 -0.111 25452 2014 1 15 . 1 1 12 12 LEU CB C 12 41.383 41.383 42.418 -1.035 25452 2015 1 15 . 1 1 12 12 LEU H H 12 8.145 8.145 8.588 -0.443 25452 2016 1 15 . 1 1 13 13 TYR HA H 13 4.515 4.515 4.622 -0.107 25452 2017 1 15 . 1 1 13 13 TYR CA C 13 57.712 57.712 57.649 0.063 25452 2018 1 15 . 1 1 13 13 TYR CB C 13 39.718 39.718 38.893 0.825 25452 2019 1 15 . 1 1 13 13 TYR H H 13 7.616 7.616 7.643 -0.027 25452 2020 1 15 . 1 1 14 14 GLY CA C 14 46.708 46.708 46.042 0.666 25452 2021 1 15 . 1 1 14 14 GLY H H 14 7.825 7.825 8.075 -0.250 25452 2022 1 15 . 1 1 15 15 THR HA H 15 4.690 4.690 4.619 0.071 25452 2023 1 15 . 1 1 15 15 THR CA C 15 60.074 60.074 60.167 -0.093 25452 2024 1 15 . 1 1 15 15 THR CB C 15 71.665 71.665 70.683 0.982 25452 2025 1 15 . 1 1 15 15 THR H H 15 7.618 7.618 7.821 -0.203 25452 2026 1 15 . 1 1 16 16 LYS HA H 16 4.556 4.556 4.637 -0.081 25452 2027 1 15 . 1 1 16 16 LYS CA C 16 54.782 54.782 55.547 -0.764 25452 2028 1 15 . 1 1 16 16 LYS CB C 16 34.305 34.305 31.372 2.933 25452 2029 1 15 . 1 1 16 16 LYS H H 16 8.873 8.873 8.854 0.019 25452 2030 1 15 . 1 1 17 17 GLY CA C 17 44.600 44.600 43.850 0.750 25452 2031 1 15 . 1 1 17 17 GLY H H 17 8.283 8.283 8.095 0.188 25452 2032 1 15 . 1 1 18 18 PRO HA H 18 4.579 4.579 4.542 0.037 25452 2033 1 15 . 1 1 18 18 PRO CA C 18 62.799 62.799 62.522 0.277 25452 2034 1 15 . 1 1 18 18 PRO CB C 18 33.234 33.234 33.043 0.191 25452 2035 1 15 . 1 1 19 19 GLY CA C 19 43.985 43.985 43.773 0.212 25452 2036 1 15 . 1 1 19 19 GLY H H 19 8.535 8.535 8.320 0.215 25452 2037 1 15 . 1 1 20 20 CYS HA H 20 4.982 4.982 4.397 0.585 25452 2038 1 15 . 1 1 20 20 CYS CA C 20 55.904 55.904 59.821 -3.917 25452 2039 1 15 . 1 1 20 20 CYS CB C 20 39.643 39.643 25.764 13.879 25452 2040 1 15 . 1 1 20 20 CYS H H 20 9.178 9.178 8.888 0.290 25452 2041 1 15 . 1 1 21 21 CYS HA H 21 4.434 4.434 4.137 0.297 25452 2042 1 15 . 1 1 21 21 CYS CA C 21 56.857 56.857 61.778 -4.921 25452 2043 1 15 . 1 1 21 21 CYS CB C 21 39.151 39.151 27.335 11.816 25452 2044 1 15 . 1 1 21 21 CYS H H 21 9.959 9.959 8.771 1.188 25452 2045 1 15 . 1 1 22 22 ASN HA H 22 4.831 4.831 4.715 0.116 25452 2046 1 15 . 1 1 22 22 ASN CA C 22 52.786 52.786 53.661 -0.875 25452 2047 1 15 . 1 1 22 22 ASN CB C 22 41.225 41.225 39.867 1.357 25452 2048 1 15 . 1 1 22 22 ASN H H 22 8.699 8.699 8.023 0.676 25452 2049 1 15 . 1 1 23 23 GLY CA C 23 45.394 45.394 44.846 0.548 25452 2050 1 15 . 1 1 23 23 GLY H H 23 8.394 8.394 8.168 0.226 25452 2051 1 15 . 1 1 24 24 LYS HA H 24 4.488 4.488 4.590 -0.102 25452 2052 1 15 . 1 1 24 24 LYS CA C 24 55.015 55.015 55.471 -0.456 25452 2053 1 15 . 1 1 24 24 LYS CB C 24 35.233 35.233 34.027 1.206 25452 2054 1 15 . 1 1 24 24 LYS H H 24 8.189 8.189 8.182 0.007 25452 2055 1 15 . 1 1 25 25 CYS HA H 25 4.701 4.701 4.866 -0.165 25452 2056 1 15 . 1 1 25 25 CYS CA C 25 55.336 55.336 59.518 -4.182 25452 2057 1 15 . 1 1 25 25 CYS CB C 25 38.089 38.089 27.663 10.426 25452 2058 1 15 . 1 1 25 25 CYS H H 25 8.928 8.928 8.669 0.259 25452 2059 1 15 . 1 1 26 26 ILE HA H 26 4.249 4.249 4.451 -0.202 25452 2060 1 15 . 1 1 26 26 ILE CA C 26 60.017 60.017 60.111 -0.094 25452 2061 1 15 . 1 1 26 26 ILE CB C 26 38.295 38.295 40.454 -2.159 25452 2062 1 15 . 1 1 26 26 ILE H H 26 8.272 8.272 9.152 -0.880 25452 2063 1 15 . 1 1 27 27 CYS HA H 27 5.292 5.292 4.820 0.472 25452 2064 1 15 . 1 1 27 27 CYS CA C 27 54.607 54.607 57.502 -2.895 25452 2065 1 15 . 1 1 27 27 CYS CB C 27 46.328 46.328 27.364 18.964 25452 2066 1 15 . 1 1 27 27 CYS H H 27 8.782 8.782 8.601 0.181 25452 2067 1 15 . 1 1 28 28 ARG HA H 28 4.566 4.566 4.664 -0.098 25452 2068 1 15 . 1 1 28 28 ARG CA C 28 55.129 55.129 55.437 -0.308 25452 2069 1 15 . 1 1 28 28 ARG CB C 28 32.925 32.925 34.311 -1.386 25452 2070 1 15 . 1 1 28 28 ARG H H 28 8.644 8.644 8.125 0.519 25452 2071 1 15 . 1 1 29 29 THR HA H 29 4.573 4.573 5.251 -0.678 25452 2072 1 15 . 1 1 29 29 THR CA C 29 62.315 62.315 60.452 1.863 25452 2073 1 15 . 1 1 29 29 THR CB C 29 69.965 69.965 69.028 0.937 25452 2074 1 15 . 1 1 29 29 THR H H 29 8.551 8.551 8.277 0.274 25452 2075 1 15 . 1 1 30 30 VAL HA H 30 4.444 4.444 4.588 -0.144 25452 2076 1 15 . 1 1 30 30 VAL CA C 30 60.186 60.186 58.942 1.244 25452 2077 1 15 . 1 1 30 30 VAL CB C 30 32.749 32.749 35.226 -2.477 25452 2078 1 15 . 1 1 30 30 VAL H H 30 8.578 8.578 8.188 0.390 25452 2079 1 15 . 1 1 31 31 PRO HA H 31 4.351 4.351 4.206 0.145 25452 2080 1 15 . 1 1 31 31 PRO CA C 31 64.468 64.468 64.896 -0.428 25452 2081 1 15 . 1 1 31 31 PRO CB C 31 32.294 32.294 31.907 0.386 25452 2082 1 15 . 1 1 32 32 ARG HA H 32 4.135 4.135 4.224 -0.089 25452 2083 1 15 . 1 1 32 32 ARG CA C 32 57.993 57.993 56.269 1.724 25452 2084 1 15 . 1 1 32 32 ARG CB C 32 29.785 29.785 28.579 1.206 25452 2085 1 15 . 1 1 32 32 ARG H H 32 8.658 8.658 7.995 0.663 25452 2086 1 15 . 1 1 33 33 LYS HA H 33 4.395 4.395 3.999 0.396 25452 2087 1 15 . 1 1 33 33 LYS CA C 33 56.622 56.622 57.326 -0.704 25452 2088 1 15 . 1 1 33 33 LYS CB C 33 33.815 33.815 29.821 3.994 25452 2089 1 15 . 1 1 33 33 LYS H H 33 8.200 8.200 8.588 -0.388 25452 2090 1 15 . 1 1 34 34 GLY CA C 34 46.119 46.119 44.965 1.154 25452 2091 1 15 . 1 1 34 34 GLY H H 34 8.501 8.501 7.866 0.635 25452 2092 1 15 . 1 1 35 35 VAL HA H 35 4.417 4.417 3.866 0.551 25452 2093 1 15 . 1 1 35 35 VAL CA C 35 60.474 60.474 62.368 -1.894 25452 2094 1 15 . 1 1 35 35 VAL CB C 35 34.629 34.629 30.756 3.873 25452 2095 1 15 . 1 1 35 35 VAL H H 35 7.317 7.317 7.801 -0.484 25452 2096 1 15 . 1 1 36 36 ASN HA H 36 5.145 5.145 4.476 0.669 25452 2097 1 15 . 1 1 36 36 ASN CA C 36 53.013 53.013 54.111 -1.098 25452 2098 1 15 . 1 1 36 36 ASN CB C 36 40.500 40.500 36.840 3.660 25452 2099 1 15 . 1 1 36 36 ASN H H 36 8.789 8.789 8.249 0.540 25452 2100 1 15 . 1 1 37 37 SER HA H 37 4.656 4.656 4.569 0.087 25452 2101 1 15 . 1 1 37 37 SER CA C 37 57.429 57.429 57.901 -0.472 25452 2102 1 15 . 1 1 37 37 SER CB C 37 64.251 64.251 63.304 0.947 25452 2103 1 15 . 1 1 37 37 SER H H 37 8.774 8.774 7.951 0.823 25452 2104 1 15 . 1 1 38 38 CYS HA H 38 5.566 5.566 4.885 0.681 25452 2105 1 15 . 1 1 38 38 CYS CA C 38 55.624 55.624 57.544 -1.920 25452 2106 1 15 . 1 1 38 38 CYS CB C 38 48.350 48.350 27.258 21.093 25452 2107 1 15 . 1 1 38 38 CYS H H 38 8.973 8.973 8.594 0.379 25452 2108 1 15 . 1 1 39 39 ARG HA H 39 5.120 5.120 5.421 -0.301 25452 2109 1 15 . 1 1 39 39 ARG CA C 39 54.635 54.635 52.015 2.620 25452 2110 1 15 . 1 1 39 39 ARG CB C 39 36.013 36.013 32.834 3.179 25452 2111 1 15 . 1 1 39 39 ARG H H 39 8.787 8.787 8.517 0.270 25452 2112 1 15 . 1 1 40 40 CYS HA H 40 4.925 4.925 4.588 0.337 25452 2113 1 15 . 1 1 40 40 CYS CA C 40 56.037 56.037 60.386 -4.349 25452 2114 1 15 . 1 1 40 40 CYS CB C 40 39.651 39.651 26.388 13.263 25452 2115 1 15 . 1 1 40 40 CYS H H 40 8.580 8.580 8.473 0.107 25452 2116 1 16 . 1 1 2 2 ALA HA H 2 4.738 4.738 4.392 0.346 25452 2117 1 16 . 1 1 2 2 ALA CA C 2 51.709 51.709 51.673 0.036 25452 2118 1 16 . 1 1 2 2 ALA CB C 2 21.586 21.586 19.968 1.618 25452 2119 1 16 . 1 1 2 2 ALA H H 2 9.549 9.549 8.564 0.985 25452 2120 1 16 . 1 1 3 3 SER HA H 3 4.413 4.413 4.490 -0.077 25452 2121 1 16 . 1 1 3 3 SER CA C 3 58.103 58.103 56.429 1.674 25452 2122 1 16 . 1 1 3 3 SER CB C 3 64.407 64.407 64.163 0.244 25452 2123 1 16 . 1 1 3 3 SER H H 3 9.174 9.174 8.342 0.832 25452 2124 1 16 . 1 1 4 4 LYS HA H 4 3.751 3.751 4.042 -0.291 25452 2125 1 16 . 1 1 4 4 LYS CA C 4 59.020 59.020 57.902 1.118 25452 2126 1 16 . 1 1 4 4 LYS H H 4 8.275 8.275 8.383 -0.108 25452 2127 1 16 . 1 1 5 5 ASN HA H 5 4.366 4.366 4.369 -0.003 25452 2128 1 16 . 1 1 5 5 ASN CA C 5 55.761 55.761 54.790 0.971 25452 2129 1 16 . 1 1 5 5 ASN CB C 5 38.046 38.046 38.048 -0.002 25452 2130 1 16 . 1 1 5 5 ASN H H 5 9.046 9.046 8.869 0.177 25452 2131 1 16 . 1 1 6 6 GLU HA H 6 4.461 4.461 4.317 0.144 25452 2132 1 16 . 1 1 6 6 GLU CA C 6 55.983 55.983 55.952 0.031 25452 2133 1 16 . 1 1 6 6 GLU CB C 6 31.173 31.173 31.865 -0.692 25452 2134 1 16 . 1 1 6 6 GLU H H 6 8.024 8.024 7.678 0.346 25452 2135 1 16 . 1 1 7 7 ARG HA H 7 4.641 4.641 4.462 0.179 25452 2136 1 16 . 1 1 7 7 ARG CA C 7 57.262 57.262 55.808 1.454 25452 2137 1 16 . 1 1 7 7 ARG CB C 7 30.703 30.703 29.328 1.375 25452 2138 1 16 . 1 1 7 7 ARG H H 7 8.466 8.466 8.406 0.060 25452 2139 1 16 . 1 1 8 8 CYS HA H 8 5.089 5.089 4.947 0.142 25452 2140 1 16 . 1 1 8 8 CYS CA C 8 52.465 52.465 56.280 -3.815 25452 2141 1 16 . 1 1 8 8 CYS CB C 8 48.107 48.107 30.728 17.379 25452 2142 1 16 . 1 1 8 8 CYS H H 8 7.408 7.408 8.310 -0.902 25452 2143 1 16 . 1 1 9 9 GLY CA C 9 43.986 43.986 43.898 0.088 25452 2144 1 16 . 1 1 9 9 GLY H H 9 8.194 8.194 8.521 -0.327 25452 2145 1 16 . 1 1 10 10 ASN HA H 10 4.715 4.715 4.910 -0.195 25452 2146 1 16 . 1 1 10 10 ASN CA C 10 52.895 52.895 53.225 -0.330 25452 2147 1 16 . 1 1 10 10 ASN CB C 10 42.114 42.114 41.585 0.529 25452 2148 1 16 . 1 1 10 10 ASN H H 10 8.083 8.083 8.056 0.027 25452 2149 1 16 . 1 1 11 11 ALA HA H 11 4.194 4.194 4.176 0.018 25452 2150 1 16 . 1 1 11 11 ALA CA C 11 55.288 55.288 54.883 0.405 25452 2151 1 16 . 1 1 11 11 ALA CB C 11 18.639 18.639 18.733 -0.094 25452 2152 1 16 . 1 1 11 11 ALA H H 11 9.249 9.249 8.949 0.300 25452 2153 1 16 . 1 1 12 12 LEU HA H 12 4.092 4.092 4.026 0.066 25452 2154 1 16 . 1 1 12 12 LEU CA C 12 57.320 57.320 57.518 -0.198 25452 2155 1 16 . 1 1 12 12 LEU CB C 12 41.383 41.383 42.312 -0.929 25452 2156 1 16 . 1 1 12 12 LEU H H 12 8.145 8.145 8.398 -0.253 25452 2157 1 16 . 1 1 13 13 TYR HA H 13 4.515 4.515 4.578 -0.063 25452 2158 1 16 . 1 1 13 13 TYR CA C 13 57.712 57.712 58.531 -0.819 25452 2159 1 16 . 1 1 13 13 TYR CB C 13 39.718 39.718 39.032 0.686 25452 2160 1 16 . 1 1 13 13 TYR H H 13 7.616 7.616 7.968 -0.352 25452 2161 1 16 . 1 1 14 14 GLY CA C 14 46.708 46.708 45.108 1.599 25452 2162 1 16 . 1 1 14 14 GLY H H 14 7.825 7.825 7.923 -0.098 25452 2163 1 16 . 1 1 15 15 THR HA H 15 4.690 4.690 4.642 0.048 25452 2164 1 16 . 1 1 15 15 THR CA C 15 60.074 60.074 60.499 -0.425 25452 2165 1 16 . 1 1 15 15 THR CB C 15 71.665 71.665 70.588 1.077 25452 2166 1 16 . 1 1 15 15 THR H H 15 7.618 7.618 7.976 -0.358 25452 2167 1 16 . 1 1 16 16 LYS HA H 16 4.556 4.556 4.490 0.066 25452 2168 1 16 . 1 1 16 16 LYS CA C 16 54.782 54.782 55.286 -0.504 25452 2169 1 16 . 1 1 16 16 LYS CB C 16 34.305 34.305 31.186 3.119 25452 2170 1 16 . 1 1 16 16 LYS H H 16 8.873 8.873 8.677 0.196 25452 2171 1 16 . 1 1 17 17 GLY CA C 17 44.600 44.600 43.853 0.747 25452 2172 1 16 . 1 1 17 17 GLY H H 17 8.283 8.283 7.328 0.955 25452 2173 1 16 . 1 1 18 18 PRO HA H 18 4.579 4.579 4.414 0.165 25452 2174 1 16 . 1 1 18 18 PRO CA C 18 62.799 62.799 62.789 0.010 25452 2175 1 16 . 1 1 18 18 PRO CB C 18 33.234 33.234 32.915 0.319 25452 2176 1 16 . 1 1 19 19 GLY CA C 19 43.985 43.985 43.566 0.419 25452 2177 1 16 . 1 1 19 19 GLY H H 19 8.535 8.535 8.419 0.116 25452 2178 1 16 . 1 1 20 20 CYS HA H 20 4.982 4.982 4.460 0.522 25452 2179 1 16 . 1 1 20 20 CYS CA C 20 55.904 55.904 59.869 -3.965 25452 2180 1 16 . 1 1 20 20 CYS CB C 20 39.643 39.643 25.355 14.289 25452 2181 1 16 . 1 1 20 20 CYS H H 20 9.178 9.178 8.937 0.241 25452 2182 1 16 . 1 1 21 21 CYS HA H 21 4.434 4.434 4.193 0.241 25452 2183 1 16 . 1 1 21 21 CYS CA C 21 56.857 56.857 61.093 -4.236 25452 2184 1 16 . 1 1 21 21 CYS CB C 21 39.151 39.151 27.143 12.008 25452 2185 1 16 . 1 1 21 21 CYS H H 21 9.959 9.959 8.845 1.114 25452 2186 1 16 . 1 1 22 22 ASN HA H 22 4.831 4.831 4.738 0.093 25452 2187 1 16 . 1 1 22 22 ASN CA C 22 52.786 52.786 52.618 0.168 25452 2188 1 16 . 1 1 22 22 ASN CB C 22 41.225 41.225 38.829 2.396 25452 2189 1 16 . 1 1 22 22 ASN H H 22 8.699 8.699 8.185 0.514 25452 2190 1 16 . 1 1 23 23 GLY CA C 23 45.394 45.394 45.064 0.330 25452 2191 1 16 . 1 1 23 23 GLY H H 23 8.394 8.394 8.228 0.166 25452 2192 1 16 . 1 1 24 24 LYS HA H 24 4.488 4.488 4.608 -0.120 25452 2193 1 16 . 1 1 24 24 LYS CA C 24 55.015 55.015 55.515 -0.500 25452 2194 1 16 . 1 1 24 24 LYS CB C 24 35.233 35.233 34.662 0.571 25452 2195 1 16 . 1 1 24 24 LYS H H 24 8.189 8.189 8.222 -0.033 25452 2196 1 16 . 1 1 25 25 CYS HA H 25 4.701 4.701 4.408 0.293 25452 2197 1 16 . 1 1 25 25 CYS CA C 25 55.336 55.336 59.390 -4.054 25452 2198 1 16 . 1 1 25 25 CYS CB C 25 38.089 38.089 26.445 11.643 25452 2199 1 16 . 1 1 25 25 CYS H H 25 8.928 8.928 8.819 0.109 25452 2200 1 16 . 1 1 26 26 ILE HA H 26 4.249 4.249 4.135 0.114 25452 2201 1 16 . 1 1 26 26 ILE CA C 26 60.017 60.017 59.521 0.496 25452 2202 1 16 . 1 1 26 26 ILE CB C 26 38.295 38.295 35.502 2.793 25452 2203 1 16 . 1 1 26 26 ILE H H 26 8.272 8.272 8.965 -0.693 25452 2204 1 16 . 1 1 27 27 CYS HA H 27 5.292 5.292 4.526 0.766 25452 2205 1 16 . 1 1 27 27 CYS CA C 27 54.607 54.607 58.692 -4.085 25452 2206 1 16 . 1 1 27 27 CYS CB C 27 46.328 46.328 26.699 19.629 25452 2207 1 16 . 1 1 27 27 CYS H H 27 8.782 8.782 8.355 0.427 25452 2208 1 16 . 1 1 28 28 ARG HA H 28 4.566 4.566 4.614 -0.048 25452 2209 1 16 . 1 1 28 28 ARG CA C 28 55.129 55.129 54.524 0.605 25452 2210 1 16 . 1 1 28 28 ARG CB C 28 32.925 32.925 34.985 -2.060 25452 2211 1 16 . 1 1 28 28 ARG H H 28 8.644 8.644 8.412 0.232 25452 2212 1 16 . 1 1 29 29 THR HA H 29 4.573 4.573 4.774 -0.201 25452 2213 1 16 . 1 1 29 29 THR CA C 29 62.315 62.315 62.026 0.289 25452 2214 1 16 . 1 1 29 29 THR CB C 29 69.965 69.965 68.575 1.391 25452 2215 1 16 . 1 1 29 29 THR H H 29 8.551 8.551 8.341 0.210 25452 2216 1 16 . 1 1 30 30 VAL HA H 30 4.444 4.444 4.381 0.063 25452 2217 1 16 . 1 1 30 30 VAL CA C 30 60.186 60.186 59.039 1.147 25452 2218 1 16 . 1 1 30 30 VAL CB C 30 32.749 32.749 33.769 -1.020 25452 2219 1 16 . 1 1 30 30 VAL H H 30 8.578 8.578 8.336 0.242 25452 2220 1 16 . 1 1 31 31 PRO HA H 31 4.351 4.351 4.243 0.108 25452 2221 1 16 . 1 1 31 31 PRO CA C 31 64.468 64.468 65.216 -0.748 25452 2222 1 16 . 1 1 31 31 PRO CB C 31 32.294 32.294 31.579 0.715 25452 2223 1 16 . 1 1 32 32 ARG HA H 32 4.135 4.135 4.305 -0.170 25452 2224 1 16 . 1 1 32 32 ARG CA C 32 57.993 57.993 55.615 2.378 25452 2225 1 16 . 1 1 32 32 ARG CB C 32 29.785 29.785 28.410 1.375 25452 2226 1 16 . 1 1 32 32 ARG H H 32 8.658 8.658 8.254 0.404 25452 2227 1 16 . 1 1 33 33 LYS HA H 33 4.395 4.395 3.964 0.431 25452 2228 1 16 . 1 1 33 33 LYS CA C 33 56.622 56.622 57.273 -0.651 25452 2229 1 16 . 1 1 33 33 LYS CB C 33 33.815 33.815 29.964 3.851 25452 2230 1 16 . 1 1 33 33 LYS H H 33 8.200 8.200 8.130 0.070 25452 2231 1 16 . 1 1 34 34 GLY CA C 34 46.119 46.119 45.222 0.897 25452 2232 1 16 . 1 1 34 34 GLY H H 34 8.501 8.501 7.893 0.608 25452 2233 1 16 . 1 1 35 35 VAL HA H 35 4.417 4.417 4.201 0.216 25452 2234 1 16 . 1 1 35 35 VAL CA C 35 60.474 60.474 62.105 -1.631 25452 2235 1 16 . 1 1 35 35 VAL CB C 35 34.629 34.629 30.218 4.412 25452 2236 1 16 . 1 1 35 35 VAL H H 35 7.317 7.317 8.331 -1.014 25452 2237 1 16 . 1 1 36 36 ASN HA H 36 5.145 5.145 4.584 0.561 25452 2238 1 16 . 1 1 36 36 ASN CA C 36 53.013 53.013 53.066 -0.053 25452 2239 1 16 . 1 1 36 36 ASN CB C 36 40.500 40.500 40.589 -0.089 25452 2240 1 16 . 1 1 36 36 ASN H H 36 8.789 8.789 8.083 0.706 25452 2241 1 16 . 1 1 37 37 SER HA H 37 4.656 4.656 4.642 0.014 25452 2242 1 16 . 1 1 37 37 SER CA C 37 57.429 57.429 57.470 -0.041 25452 2243 1 16 . 1 1 37 37 SER CB C 37 64.251 64.251 62.401 1.851 25452 2244 1 16 . 1 1 37 37 SER H H 37 8.774 8.774 8.100 0.674 25452 2245 1 16 . 1 1 38 38 CYS HA H 38 5.566 5.566 4.741 0.825 25452 2246 1 16 . 1 1 38 38 CYS CA C 38 55.624 55.624 58.445 -2.821 25452 2247 1 16 . 1 1 38 38 CYS CB C 38 48.350 48.350 26.104 22.246 25452 2248 1 16 . 1 1 38 38 CYS H H 38 8.973 8.973 8.394 0.579 25452 2249 1 16 . 1 1 39 39 ARG HA H 39 5.120 5.120 4.912 0.208 25452 2250 1 16 . 1 1 39 39 ARG CA C 39 54.635 54.635 53.881 0.754 25452 2251 1 16 . 1 1 39 39 ARG CB C 39 36.013 36.013 32.458 3.555 25452 2252 1 16 . 1 1 39 39 ARG H H 39 8.787 8.787 8.380 0.407 25452 2253 1 16 . 1 1 40 40 CYS HA H 40 4.925 4.925 4.387 0.538 25452 2254 1 16 . 1 1 40 40 CYS CA C 40 56.037 56.037 61.233 -5.196 25452 2255 1 16 . 1 1 40 40 CYS CB C 40 39.651 39.651 25.127 14.524 25452 2256 1 16 . 1 1 40 40 CYS H H 40 8.580 8.580 8.667 -0.087 25452 2257 1 17 . 1 1 2 2 ALA HA H 2 4.738 4.738 4.607 0.131 25452 2258 1 17 . 1 1 2 2 ALA CA C 2 51.709 51.709 51.562 0.147 25452 2259 1 17 . 1 1 2 2 ALA CB C 2 21.586 21.586 20.427 1.159 25452 2260 1 17 . 1 1 2 2 ALA H H 2 9.549 9.549 8.357 1.192 25452 2261 1 17 . 1 1 3 3 SER HA H 3 4.413 4.413 4.675 -0.262 25452 2262 1 17 . 1 1 3 3 SER CA C 3 58.103 58.103 56.826 1.277 25452 2263 1 17 . 1 1 3 3 SER CB C 3 64.407 64.407 64.492 -0.085 25452 2264 1 17 . 1 1 3 3 SER H H 3 9.174 9.174 8.385 0.789 25452 2265 1 17 . 1 1 4 4 LYS HA H 4 3.751 3.751 4.019 -0.268 25452 2266 1 17 . 1 1 4 4 LYS CA C 4 59.020 59.020 57.788 1.232 25452 2267 1 17 . 1 1 4 4 LYS H H 4 8.275 8.275 8.471 -0.196 25452 2268 1 17 . 1 1 5 5 ASN HA H 5 4.366 4.366 4.285 0.081 25452 2269 1 17 . 1 1 5 5 ASN CA C 5 55.761 55.761 55.082 0.679 25452 2270 1 17 . 1 1 5 5 ASN CB C 5 38.046 38.046 37.014 1.032 25452 2271 1 17 . 1 1 5 5 ASN H H 5 9.046 9.046 8.870 0.176 25452 2272 1 17 . 1 1 6 6 GLU HA H 6 4.461 4.461 4.539 -0.078 25452 2273 1 17 . 1 1 6 6 GLU CA C 6 55.983 55.983 55.124 0.859 25452 2274 1 17 . 1 1 6 6 GLU CB C 6 31.173 31.173 31.310 -0.137 25452 2275 1 17 . 1 1 6 6 GLU H H 6 8.024 8.024 7.754 0.270 25452 2276 1 17 . 1 1 7 7 ARG HA H 7 4.641 4.641 4.472 0.169 25452 2277 1 17 . 1 1 7 7 ARG CA C 7 57.262 57.262 56.282 0.980 25452 2278 1 17 . 1 1 7 7 ARG CB C 7 30.703 30.703 29.800 0.903 25452 2279 1 17 . 1 1 7 7 ARG H H 7 8.466 8.466 8.568 -0.102 25452 2280 1 17 . 1 1 8 8 CYS HA H 8 5.089 5.089 5.343 -0.254 25452 2281 1 17 . 1 1 8 8 CYS CA C 8 52.465 52.465 55.685 -3.220 25452 2282 1 17 . 1 1 8 8 CYS CB C 8 48.107 48.107 31.166 16.941 25452 2283 1 17 . 1 1 8 8 CYS H H 8 7.408 7.408 8.552 -1.144 25452 2284 1 17 . 1 1 9 9 GLY CA C 9 43.986 43.986 44.201 -0.215 25452 2285 1 17 . 1 1 9 9 GLY H H 9 8.194 8.194 8.763 -0.569 25452 2286 1 17 . 1 1 10 10 ASN HA H 10 4.715 4.715 4.967 -0.252 25452 2287 1 17 . 1 1 10 10 ASN CA C 10 52.895 52.895 52.817 0.078 25452 2288 1 17 . 1 1 10 10 ASN CB C 10 42.114 42.114 41.559 0.554 25452 2289 1 17 . 1 1 10 10 ASN H H 10 8.083 8.083 8.177 -0.094 25452 2290 1 17 . 1 1 11 11 ALA HA H 11 4.194 4.194 4.170 0.024 25452 2291 1 17 . 1 1 11 11 ALA CA C 11 55.288 55.288 54.751 0.537 25452 2292 1 17 . 1 1 11 11 ALA CB C 11 18.639 18.639 19.042 -0.403 25452 2293 1 17 . 1 1 11 11 ALA H H 11 9.249 9.249 8.948 0.301 25452 2294 1 17 . 1 1 12 12 LEU HA H 12 4.092 4.092 3.984 0.108 25452 2295 1 17 . 1 1 12 12 LEU CA C 12 57.320 57.320 57.249 0.071 25452 2296 1 17 . 1 1 12 12 LEU CB C 12 41.383 41.383 41.908 -0.525 25452 2297 1 17 . 1 1 12 12 LEU H H 12 8.145 8.145 8.577 -0.432 25452 2298 1 17 . 1 1 13 13 TYR HA H 13 4.515 4.515 4.595 -0.080 25452 2299 1 17 . 1 1 13 13 TYR CA C 13 57.712 57.712 57.526 0.186 25452 2300 1 17 . 1 1 13 13 TYR CB C 13 39.718 39.718 38.573 1.145 25452 2301 1 17 . 1 1 13 13 TYR H H 13 7.616 7.616 7.640 -0.024 25452 2302 1 17 . 1 1 14 14 GLY CA C 14 46.708 46.708 46.016 0.692 25452 2303 1 17 . 1 1 14 14 GLY H H 14 7.825 7.825 8.161 -0.336 25452 2304 1 17 . 1 1 15 15 THR HA H 15 4.690 4.690 4.607 0.083 25452 2305 1 17 . 1 1 15 15 THR CA C 15 60.074 60.074 60.302 -0.228 25452 2306 1 17 . 1 1 15 15 THR CB C 15 71.665 71.665 70.590 1.075 25452 2307 1 17 . 1 1 15 15 THR H H 15 7.618 7.618 7.899 -0.281 25452 2308 1 17 . 1 1 16 16 LYS HA H 16 4.556 4.556 4.689 -0.133 25452 2309 1 17 . 1 1 16 16 LYS CA C 16 54.782 54.782 55.587 -0.805 25452 2310 1 17 . 1 1 16 16 LYS CB C 16 34.305 34.305 32.316 1.989 25452 2311 1 17 . 1 1 16 16 LYS H H 16 8.873 8.873 8.770 0.103 25452 2312 1 17 . 1 1 17 17 GLY CA C 17 44.600 44.600 44.731 -0.131 25452 2313 1 17 . 1 1 17 17 GLY H H 17 8.283 8.283 8.322 -0.039 25452 2314 1 17 . 1 1 18 18 PRO HA H 18 4.579 4.579 4.515 0.064 25452 2315 1 17 . 1 1 18 18 PRO CA C 18 62.799 62.799 62.971 -0.172 25452 2316 1 17 . 1 1 18 18 PRO CB C 18 33.234 33.234 32.781 0.454 25452 2317 1 17 . 1 1 19 19 GLY CA C 19 43.985 43.985 43.473 0.512 25452 2318 1 17 . 1 1 19 19 GLY H H 19 8.535 8.535 8.076 0.459 25452 2319 1 17 . 1 1 20 20 CYS HA H 20 4.982 4.982 4.814 0.168 25452 2320 1 17 . 1 1 20 20 CYS CA C 20 55.904 55.904 59.580 -3.676 25452 2321 1 17 . 1 1 20 20 CYS CB C 20 39.643 39.643 25.854 13.789 25452 2322 1 17 . 1 1 20 20 CYS H H 20 9.178 9.178 8.785 0.393 25452 2323 1 17 . 1 1 21 21 CYS HA H 21 4.434 4.434 4.184 0.250 25452 2324 1 17 . 1 1 21 21 CYS CA C 21 56.857 56.857 61.059 -4.202 25452 2325 1 17 . 1 1 21 21 CYS CB C 21 39.151 39.151 27.433 11.719 25452 2326 1 17 . 1 1 21 21 CYS H H 21 9.959 9.959 8.991 0.968 25452 2327 1 17 . 1 1 22 22 ASN HA H 22 4.831 4.831 4.876 -0.045 25452 2328 1 17 . 1 1 22 22 ASN CA C 22 52.786 52.786 53.287 -0.501 25452 2329 1 17 . 1 1 22 22 ASN CB C 22 41.225 41.225 39.638 1.587 25452 2330 1 17 . 1 1 22 22 ASN H H 22 8.699 8.699 8.282 0.417 25452 2331 1 17 . 1 1 23 23 GLY CA C 23 45.394 45.394 45.215 0.179 25452 2332 1 17 . 1 1 23 23 GLY H H 23 8.394 8.394 8.231 0.163 25452 2333 1 17 . 1 1 24 24 LYS HA H 24 4.488 4.488 4.623 -0.135 25452 2334 1 17 . 1 1 24 24 LYS CA C 24 55.015 55.015 56.034 -1.019 25452 2335 1 17 . 1 1 24 24 LYS CB C 24 35.233 35.233 36.344 -1.111 25452 2336 1 17 . 1 1 24 24 LYS H H 24 8.189 8.189 8.273 -0.084 25452 2337 1 17 . 1 1 25 25 CYS HA H 25 4.701 4.701 4.792 -0.091 25452 2338 1 17 . 1 1 25 25 CYS CA C 25 55.336 55.336 58.689 -3.353 25452 2339 1 17 . 1 1 25 25 CYS CB C 25 38.089 38.089 27.281 10.808 25452 2340 1 17 . 1 1 25 25 CYS H H 25 8.928 8.928 8.604 0.324 25452 2341 1 17 . 1 1 26 26 ILE HA H 26 4.249 4.249 4.290 -0.041 25452 2342 1 17 . 1 1 26 26 ILE CA C 26 60.017 60.017 60.235 -0.218 25452 2343 1 17 . 1 1 26 26 ILE CB C 26 38.295 38.295 39.808 -1.513 25452 2344 1 17 . 1 1 26 26 ILE H H 26 8.272 8.272 8.761 -0.489 25452 2345 1 17 . 1 1 27 27 CYS HA H 27 5.292 5.292 4.818 0.474 25452 2346 1 17 . 1 1 27 27 CYS CA C 27 54.607 54.607 57.279 -2.671 25452 2347 1 17 . 1 1 27 27 CYS CB C 27 46.328 46.328 27.610 18.718 25452 2348 1 17 . 1 1 27 27 CYS H H 27 8.782 8.782 8.853 -0.071 25452 2349 1 17 . 1 1 28 28 ARG HA H 28 4.566 4.566 4.729 -0.163 25452 2350 1 17 . 1 1 28 28 ARG CA C 28 55.129 55.129 54.941 0.188 25452 2351 1 17 . 1 1 28 28 ARG CB C 28 32.925 32.925 34.588 -1.663 25452 2352 1 17 . 1 1 28 28 ARG H H 28 8.644 8.644 8.271 0.373 25452 2353 1 17 . 1 1 29 29 THR HA H 29 4.573 4.573 4.933 -0.360 25452 2354 1 17 . 1 1 29 29 THR CA C 29 62.315 62.315 61.450 0.865 25452 2355 1 17 . 1 1 29 29 THR CB C 29 69.965 69.965 69.682 0.283 25452 2356 1 17 . 1 1 29 29 THR H H 29 8.551 8.551 8.428 0.123 25452 2357 1 17 . 1 1 30 30 VAL HA H 30 4.444 4.444 4.496 -0.052 25452 2358 1 17 . 1 1 30 30 VAL CA C 30 60.186 60.186 58.904 1.282 25452 2359 1 17 . 1 1 30 30 VAL CB C 30 32.749 32.749 35.033 -2.284 25452 2360 1 17 . 1 1 30 30 VAL H H 30 8.578 8.578 8.669 -0.091 25452 2361 1 17 . 1 1 31 31 PRO HA H 31 4.351 4.351 4.229 0.122 25452 2362 1 17 . 1 1 31 31 PRO CA C 31 64.468 64.468 64.783 -0.315 25452 2363 1 17 . 1 1 31 31 PRO CB C 31 32.294 32.294 31.807 0.487 25452 2364 1 17 . 1 1 32 32 ARG HA H 32 4.135 4.135 4.209 -0.074 25452 2365 1 17 . 1 1 32 32 ARG CA C 32 57.993 57.993 56.068 1.925 25452 2366 1 17 . 1 1 32 32 ARG CB C 32 29.785 29.785 28.424 1.361 25452 2367 1 17 . 1 1 32 32 ARG H H 32 8.658 8.658 8.145 0.513 25452 2368 1 17 . 1 1 33 33 LYS HA H 33 4.395 4.395 3.971 0.424 25452 2369 1 17 . 1 1 33 33 LYS CA C 33 56.622 56.622 57.147 -0.525 25452 2370 1 17 . 1 1 33 33 LYS CB C 33 33.815 33.815 30.674 3.141 25452 2371 1 17 . 1 1 33 33 LYS H H 33 8.200 8.200 8.608 -0.408 25452 2372 1 17 . 1 1 34 34 GLY CA C 34 46.119 46.119 44.953 1.166 25452 2373 1 17 . 1 1 34 34 GLY H H 34 8.501 8.501 8.010 0.491 25452 2374 1 17 . 1 1 35 35 VAL HA H 35 4.417 4.417 4.117 0.300 25452 2375 1 17 . 1 1 35 35 VAL CA C 35 60.474 60.474 62.406 -1.932 25452 2376 1 17 . 1 1 35 35 VAL CB C 35 34.629 34.629 31.262 3.366 25452 2377 1 17 . 1 1 35 35 VAL H H 35 7.317 7.317 8.220 -0.903 25452 2378 1 17 . 1 1 36 36 ASN HA H 36 5.145 5.145 4.491 0.654 25452 2379 1 17 . 1 1 36 36 ASN CA C 36 53.013 53.013 54.201 -1.188 25452 2380 1 17 . 1 1 36 36 ASN CB C 36 40.500 40.500 35.942 4.558 25452 2381 1 17 . 1 1 36 36 ASN H H 36 8.789 8.789 8.454 0.335 25452 2382 1 17 . 1 1 37 37 SER HA H 37 4.656 4.656 4.379 0.277 25452 2383 1 17 . 1 1 37 37 SER CA C 37 57.429 57.429 59.108 -1.679 25452 2384 1 17 . 1 1 37 37 SER CB C 37 64.251 64.251 63.567 0.684 25452 2385 1 17 . 1 1 37 37 SER H H 37 8.774 8.774 8.122 0.652 25452 2386 1 17 . 1 1 38 38 CYS HA H 38 5.566 5.566 4.930 0.636 25452 2387 1 17 . 1 1 38 38 CYS CA C 38 55.624 55.624 57.217 -1.593 25452 2388 1 17 . 1 1 38 38 CYS CB C 38 48.350 48.350 26.976 21.374 25452 2389 1 17 . 1 1 38 38 CYS H H 38 8.973 8.973 8.649 0.324 25452 2390 1 17 . 1 1 39 39 ARG HA H 39 5.120 5.120 4.666 0.454 25452 2391 1 17 . 1 1 39 39 ARG CA C 39 54.635 54.635 53.469 1.166 25452 2392 1 17 . 1 1 39 39 ARG CB C 39 36.013 36.013 33.150 2.863 25452 2393 1 17 . 1 1 39 39 ARG H H 39 8.787 8.787 8.654 0.133 25452 2394 1 17 . 1 1 40 40 CYS HA H 40 4.925 4.925 4.647 0.278 25452 2395 1 17 . 1 1 40 40 CYS CA C 40 56.037 56.037 60.802 -4.765 25452 2396 1 17 . 1 1 40 40 CYS CB C 40 39.651 39.651 26.119 13.532 25452 2397 1 17 . 1 1 40 40 CYS H H 40 8.580 8.580 8.430 0.150 25452 2398 1 18 . 1 1 2 2 ALA HA H 2 4.738 4.738 4.629 0.109 25452 2399 1 18 . 1 1 2 2 ALA CA C 2 51.709 51.709 50.951 0.758 25452 2400 1 18 . 1 1 2 2 ALA CB C 2 21.586 21.586 21.168 0.418 25452 2401 1 18 . 1 1 2 2 ALA H H 2 9.549 9.549 8.242 1.307 25452 2402 1 18 . 1 1 3 3 SER HA H 3 4.413 4.413 4.744 -0.331 25452 2403 1 18 . 1 1 3 3 SER CA C 3 58.103 58.103 56.937 1.166 25452 2404 1 18 . 1 1 3 3 SER CB C 3 64.407 64.407 65.289 -0.882 25452 2405 1 18 . 1 1 3 3 SER H H 3 9.174 9.174 8.238 0.936 25452 2406 1 18 . 1 1 4 4 LYS HA H 4 3.751 3.751 3.991 -0.240 25452 2407 1 18 . 1 1 4 4 LYS CA C 4 59.020 59.020 58.214 0.806 25452 2408 1 18 . 1 1 4 4 LYS H H 4 8.275 8.275 8.552 -0.277 25452 2409 1 18 . 1 1 5 5 ASN HA H 5 4.366 4.366 4.337 0.029 25452 2410 1 18 . 1 1 5 5 ASN CA C 5 55.761 55.761 55.275 0.486 25452 2411 1 18 . 1 1 5 5 ASN CB C 5 38.046 38.046 38.102 -0.056 25452 2412 1 18 . 1 1 5 5 ASN H H 5 9.046 9.046 8.862 0.184 25452 2413 1 18 . 1 1 6 6 GLU HA H 6 4.461 4.461 4.585 -0.124 25452 2414 1 18 . 1 1 6 6 GLU CA C 6 55.983 55.983 54.983 1.000 25452 2415 1 18 . 1 1 6 6 GLU CB C 6 31.173 31.173 31.745 -0.572 25452 2416 1 18 . 1 1 6 6 GLU H H 6 8.024 8.024 7.719 0.305 25452 2417 1 18 . 1 1 7 7 ARG HA H 7 4.641 4.641 4.527 0.114 25452 2418 1 18 . 1 1 7 7 ARG CA C 7 57.262 57.262 56.072 1.190 25452 2419 1 18 . 1 1 7 7 ARG CB C 7 30.703 30.703 29.845 0.858 25452 2420 1 18 . 1 1 7 7 ARG H H 7 8.466 8.466 8.473 -0.007 25452 2421 1 18 . 1 1 8 8 CYS HA H 8 5.089 5.089 5.324 -0.235 25452 2422 1 18 . 1 1 8 8 CYS CA C 8 52.465 52.465 56.285 -3.820 25452 2423 1 18 . 1 1 8 8 CYS CB C 8 48.107 48.107 30.525 17.582 25452 2424 1 18 . 1 1 8 8 CYS H H 8 7.408 7.408 8.295 -0.887 25452 2425 1 18 . 1 1 9 9 GLY CA C 9 43.986 43.986 44.027 -0.041 25452 2426 1 18 . 1 1 9 9 GLY H H 9 8.194 8.194 8.424 -0.230 25452 2427 1 18 . 1 1 10 10 ASN HA H 10 4.715 4.715 4.919 -0.204 25452 2428 1 18 . 1 1 10 10 ASN CA C 10 52.895 52.895 52.987 -0.092 25452 2429 1 18 . 1 1 10 10 ASN CB C 10 42.114 42.114 41.282 0.832 25452 2430 1 18 . 1 1 10 10 ASN H H 10 8.083 8.083 8.243 -0.160 25452 2431 1 18 . 1 1 11 11 ALA HA H 11 4.194 4.194 4.160 0.034 25452 2432 1 18 . 1 1 11 11 ALA CA C 11 55.288 55.288 54.797 0.491 25452 2433 1 18 . 1 1 11 11 ALA CB C 11 18.639 18.639 18.850 -0.211 25452 2434 1 18 . 1 1 11 11 ALA H H 11 9.249 9.249 8.913 0.336 25452 2435 1 18 . 1 1 12 12 LEU HA H 12 4.092 4.092 4.057 0.035 25452 2436 1 18 . 1 1 12 12 LEU CA C 12 57.320 57.320 57.475 -0.155 25452 2437 1 18 . 1 1 12 12 LEU CB C 12 41.383 41.383 42.513 -1.130 25452 2438 1 18 . 1 1 12 12 LEU H H 12 8.145 8.145 8.604 -0.459 25452 2439 1 18 . 1 1 13 13 TYR HA H 13 4.515 4.515 4.677 -0.162 25452 2440 1 18 . 1 1 13 13 TYR CA C 13 57.712 57.712 57.229 0.483 25452 2441 1 18 . 1 1 13 13 TYR CB C 13 39.718 39.718 38.535 1.183 25452 2442 1 18 . 1 1 13 13 TYR H H 13 7.616 7.616 7.635 -0.019 25452 2443 1 18 . 1 1 14 14 GLY CA C 14 46.708 46.708 46.026 0.681 25452 2444 1 18 . 1 1 14 14 GLY H H 14 7.825 7.825 8.027 -0.202 25452 2445 1 18 . 1 1 15 15 THR HA H 15 4.690 4.690 4.596 0.094 25452 2446 1 18 . 1 1 15 15 THR CA C 15 60.074 60.074 60.579 -0.505 25452 2447 1 18 . 1 1 15 15 THR CB C 15 71.665 71.665 70.470 1.195 25452 2448 1 18 . 1 1 15 15 THR H H 15 7.618 7.618 7.948 -0.330 25452 2449 1 18 . 1 1 16 16 LYS HA H 16 4.556 4.556 4.519 0.037 25452 2450 1 18 . 1 1 16 16 LYS CA C 16 54.782 54.782 56.050 -1.268 25452 2451 1 18 . 1 1 16 16 LYS CB C 16 34.305 34.305 32.303 2.002 25452 2452 1 18 . 1 1 16 16 LYS H H 16 8.873 8.873 8.785 0.088 25452 2453 1 18 . 1 1 17 17 GLY CA C 17 44.600 44.600 43.411 1.189 25452 2454 1 18 . 1 1 17 17 GLY H H 17 8.283 8.283 7.903 0.380 25452 2455 1 18 . 1 1 18 18 PRO HA H 18 4.579 4.579 4.485 0.094 25452 2456 1 18 . 1 1 18 18 PRO CA C 18 62.799 62.799 62.680 0.119 25452 2457 1 18 . 1 1 18 18 PRO CB C 18 33.234 33.234 33.025 0.209 25452 2458 1 18 . 1 1 19 19 GLY CA C 19 43.985 43.985 44.280 -0.295 25452 2459 1 18 . 1 1 19 19 GLY H H 19 8.535 8.535 8.455 0.080 25452 2460 1 18 . 1 1 20 20 CYS HA H 20 4.982 4.982 5.092 -0.110 25452 2461 1 18 . 1 1 20 20 CYS CA C 20 55.904 55.904 58.706 -2.802 25452 2462 1 18 . 1 1 20 20 CYS CB C 20 39.643 39.643 29.453 10.190 25452 2463 1 18 . 1 1 20 20 CYS H H 20 9.178 9.178 8.255 0.923 25452 2464 1 18 . 1 1 21 21 CYS HA H 21 4.434 4.434 4.271 0.163 25452 2465 1 18 . 1 1 21 21 CYS CA C 21 56.857 56.857 59.831 -2.974 25452 2466 1 18 . 1 1 21 21 CYS CB C 21 39.151 39.151 26.999 12.152 25452 2467 1 18 . 1 1 21 21 CYS H H 21 9.959 9.959 9.055 0.904 25452 2468 1 18 . 1 1 22 22 ASN HA H 22 4.831 4.831 4.730 0.101 25452 2469 1 18 . 1 1 22 22 ASN CA C 22 52.786 52.786 52.837 -0.051 25452 2470 1 18 . 1 1 22 22 ASN CB C 22 41.225 41.225 39.414 1.811 25452 2471 1 18 . 1 1 22 22 ASN H H 22 8.699 8.699 7.906 0.793 25452 2472 1 18 . 1 1 23 23 GLY CA C 23 45.394 45.394 44.627 0.767 25452 2473 1 18 . 1 1 23 23 GLY H H 23 8.394 8.394 8.114 0.280 25452 2474 1 18 . 1 1 24 24 LYS HA H 24 4.488 4.488 4.447 0.041 25452 2475 1 18 . 1 1 24 24 LYS CA C 24 55.015 55.015 55.545 -0.530 25452 2476 1 18 . 1 1 24 24 LYS CB C 24 35.233 35.233 34.349 0.884 25452 2477 1 18 . 1 1 24 24 LYS H H 24 8.189 8.189 8.161 0.028 25452 2478 1 18 . 1 1 25 25 CYS HA H 25 4.701 4.701 4.770 -0.069 25452 2479 1 18 . 1 1 25 25 CYS CA C 25 55.336 55.336 59.316 -3.980 25452 2480 1 18 . 1 1 25 25 CYS CB C 25 38.089 38.089 27.419 10.670 25452 2481 1 18 . 1 1 25 25 CYS H H 25 8.928 8.928 8.691 0.237 25452 2482 1 18 . 1 1 26 26 ILE HA H 26 4.249 4.249 4.479 -0.230 25452 2483 1 18 . 1 1 26 26 ILE CA C 26 60.017 60.017 60.260 -0.243 25452 2484 1 18 . 1 1 26 26 ILE CB C 26 38.295 38.295 40.862 -2.567 25452 2485 1 18 . 1 1 26 26 ILE H H 26 8.272 8.272 9.055 -0.783 25452 2486 1 18 . 1 1 27 27 CYS HA H 27 5.292 5.292 4.696 0.596 25452 2487 1 18 . 1 1 27 27 CYS CA C 27 54.607 54.607 58.154 -3.547 25452 2488 1 18 . 1 1 27 27 CYS CB C 27 46.328 46.328 25.377 20.951 25452 2489 1 18 . 1 1 27 27 CYS H H 27 8.782 8.782 8.758 0.024 25452 2490 1 18 . 1 1 28 28 ARG HA H 28 4.566 4.566 4.579 -0.013 25452 2491 1 18 . 1 1 28 28 ARG CA C 28 55.129 55.129 54.748 0.381 25452 2492 1 18 . 1 1 28 28 ARG CB C 28 32.925 32.925 33.936 -1.011 25452 2493 1 18 . 1 1 28 28 ARG H H 28 8.644 8.644 8.771 -0.127 25452 2494 1 18 . 1 1 29 29 THR HA H 29 4.573 4.573 5.319 -0.746 25452 2495 1 18 . 1 1 29 29 THR CA C 29 62.315 62.315 60.414 1.901 25452 2496 1 18 . 1 1 29 29 THR CB C 29 69.965 69.965 69.392 0.573 25452 2497 1 18 . 1 1 29 29 THR H H 29 8.551 8.551 8.261 0.290 25452 2498 1 18 . 1 1 30 30 VAL HA H 30 4.444 4.444 4.717 -0.273 25452 2499 1 18 . 1 1 30 30 VAL CA C 30 60.186 60.186 58.373 1.813 25452 2500 1 18 . 1 1 30 30 VAL CB C 30 32.749 32.749 34.649 -1.900 25452 2501 1 18 . 1 1 30 30 VAL H H 30 8.578 8.578 8.083 0.495 25452 2502 1 18 . 1 1 31 31 PRO HA H 31 4.351 4.351 4.208 0.143 25452 2503 1 18 . 1 1 31 31 PRO CA C 31 64.468 64.468 64.927 -0.459 25452 2504 1 18 . 1 1 31 31 PRO CB C 31 32.294 32.294 31.816 0.478 25452 2505 1 18 . 1 1 32 32 ARG HA H 32 4.135 4.135 4.211 -0.076 25452 2506 1 18 . 1 1 32 32 ARG CA C 32 57.993 57.993 56.314 1.679 25452 2507 1 18 . 1 1 32 32 ARG CB C 32 29.785 29.785 28.699 1.086 25452 2508 1 18 . 1 1 32 32 ARG H H 32 8.658 8.658 7.980 0.678 25452 2509 1 18 . 1 1 33 33 LYS HA H 33 4.395 4.395 3.986 0.409 25452 2510 1 18 . 1 1 33 33 LYS CA C 33 56.622 56.622 57.275 -0.652 25452 2511 1 18 . 1 1 33 33 LYS CB C 33 33.815 33.815 29.843 3.972 25452 2512 1 18 . 1 1 33 33 LYS H H 33 8.200 8.200 8.570 -0.370 25452 2513 1 18 . 1 1 34 34 GLY CA C 34 46.119 46.119 44.601 1.518 25452 2514 1 18 . 1 1 34 34 GLY H H 34 8.501 8.501 8.042 0.459 25452 2515 1 18 . 1 1 35 35 VAL HA H 35 4.417 4.417 4.101 0.316 25452 2516 1 18 . 1 1 35 35 VAL CA C 35 60.474 60.474 61.325 -0.851 25452 2517 1 18 . 1 1 35 35 VAL CB C 35 34.629 34.629 30.174 4.455 25452 2518 1 18 . 1 1 35 35 VAL H H 35 7.317 7.317 7.599 -0.282 25452 2519 1 18 . 1 1 36 36 ASN HA H 36 5.145 5.145 4.471 0.674 25452 2520 1 18 . 1 1 36 36 ASN CA C 36 53.013 53.013 53.983 -0.970 25452 2521 1 18 . 1 1 36 36 ASN CB C 36 40.500 40.500 37.819 2.681 25452 2522 1 18 . 1 1 36 36 ASN H H 36 8.789 8.789 8.297 0.492 25452 2523 1 18 . 1 1 37 37 SER HA H 37 4.656 4.656 4.658 -0.002 25452 2524 1 18 . 1 1 37 37 SER CA C 37 57.429 57.429 57.752 -0.323 25452 2525 1 18 . 1 1 37 37 SER CB C 37 64.251 64.251 63.420 0.831 25452 2526 1 18 . 1 1 37 37 SER H H 37 8.774 8.774 7.947 0.827 25452 2527 1 18 . 1 1 38 38 CYS HA H 38 5.566 5.566 4.861 0.705 25452 2528 1 18 . 1 1 38 38 CYS CA C 38 55.624 55.624 58.466 -2.842 25452 2529 1 18 . 1 1 38 38 CYS CB C 38 48.350 48.350 26.309 22.041 25452 2530 1 18 . 1 1 38 38 CYS H H 38 8.973 8.973 8.747 0.226 25452 2531 1 18 . 1 1 39 39 ARG HA H 39 5.120 5.120 4.804 0.316 25452 2532 1 18 . 1 1 39 39 ARG CA C 39 54.635 54.635 53.977 0.658 25452 2533 1 18 . 1 1 39 39 ARG CB C 39 36.013 36.013 33.502 2.510 25452 2534 1 18 . 1 1 39 39 ARG H H 39 8.787 8.787 8.594 0.193 25452 2535 1 18 . 1 1 40 40 CYS HA H 40 4.925 4.925 4.591 0.334 25452 2536 1 18 . 1 1 40 40 CYS CA C 40 56.037 56.037 59.994 -3.957 25452 2537 1 18 . 1 1 40 40 CYS CB C 40 39.651 39.651 26.385 13.266 25452 2538 1 18 . 1 1 40 40 CYS H H 40 8.580 8.580 8.457 0.123 25452 2539 1 19 . 1 1 2 2 ALA HA H 2 4.738 4.738 4.566 0.172 25452 2540 1 19 . 1 1 2 2 ALA CA C 2 51.709 51.709 52.054 -0.345 25452 2541 1 19 . 1 1 2 2 ALA CB C 2 21.586 21.586 19.453 2.133 25452 2542 1 19 . 1 1 2 2 ALA H H 2 9.549 9.549 8.445 1.104 25452 2543 1 19 . 1 1 3 3 SER HA H 3 4.413 4.413 4.359 0.054 25452 2544 1 19 . 1 1 3 3 SER CA C 3 58.103 58.103 57.694 0.409 25452 2545 1 19 . 1 1 3 3 SER CB C 3 64.407 64.407 64.207 0.200 25452 2546 1 19 . 1 1 3 3 SER H H 3 9.174 9.174 8.548 0.626 25452 2547 1 19 . 1 1 4 4 LYS HA H 4 3.751 3.751 3.977 -0.226 25452 2548 1 19 . 1 1 4 4 LYS CA C 4 59.020 59.020 58.374 0.646 25452 2549 1 19 . 1 1 4 4 LYS H H 4 8.275 8.275 8.259 0.016 25452 2550 1 19 . 1 1 5 5 ASN HA H 5 4.366 4.366 4.387 -0.021 25452 2551 1 19 . 1 1 5 5 ASN CA C 5 55.761 55.761 55.040 0.721 25452 2552 1 19 . 1 1 5 5 ASN CB C 5 38.046 38.046 37.946 0.100 25452 2553 1 19 . 1 1 5 5 ASN H H 5 9.046 9.046 8.891 0.155 25452 2554 1 19 . 1 1 6 6 GLU HA H 6 4.461 4.461 4.497 -0.036 25452 2555 1 19 . 1 1 6 6 GLU CA C 6 55.983 55.983 55.032 0.951 25452 2556 1 19 . 1 1 6 6 GLU CB C 6 31.173 31.173 30.851 0.322 25452 2557 1 19 . 1 1 6 6 GLU H H 6 8.024 8.024 7.620 0.404 25452 2558 1 19 . 1 1 7 7 ARG HA H 7 4.641 4.641 4.590 0.051 25452 2559 1 19 . 1 1 7 7 ARG CA C 7 57.262 57.262 55.905 1.357 25452 2560 1 19 . 1 1 7 7 ARG CB C 7 30.703 30.703 29.763 0.940 25452 2561 1 19 . 1 1 7 7 ARG H H 7 8.466 8.466 8.432 0.034 25452 2562 1 19 . 1 1 8 8 CYS HA H 8 5.089 5.089 4.904 0.185 25452 2563 1 19 . 1 1 8 8 CYS CA C 8 52.465 52.465 56.331 -3.866 25452 2564 1 19 . 1 1 8 8 CYS CB C 8 48.107 48.107 30.544 17.563 25452 2565 1 19 . 1 1 8 8 CYS H H 8 7.408 7.408 8.418 -1.010 25452 2566 1 19 . 1 1 9 9 GLY CA C 9 43.986 43.986 44.000 -0.014 25452 2567 1 19 . 1 1 9 9 GLY H H 9 8.194 8.194 8.562 -0.368 25452 2568 1 19 . 1 1 10 10 ASN HA H 10 4.715 4.715 4.916 -0.201 25452 2569 1 19 . 1 1 10 10 ASN CA C 10 52.895 52.895 52.975 -0.080 25452 2570 1 19 . 1 1 10 10 ASN CB C 10 42.114 42.114 41.543 0.571 25452 2571 1 19 . 1 1 10 10 ASN H H 10 8.083 8.083 8.208 -0.125 25452 2572 1 19 . 1 1 11 11 ALA HA H 11 4.194 4.194 4.199 -0.005 25452 2573 1 19 . 1 1 11 11 ALA CA C 11 55.288 55.288 54.810 0.478 25452 2574 1 19 . 1 1 11 11 ALA CB C 11 18.639 18.639 18.736 -0.097 25452 2575 1 19 . 1 1 11 11 ALA H H 11 9.249 9.249 8.926 0.323 25452 2576 1 19 . 1 1 12 12 LEU HA H 12 4.092 4.092 4.016 0.076 25452 2577 1 19 . 1 1 12 12 LEU CA C 12 57.320 57.320 57.513 -0.193 25452 2578 1 19 . 1 1 12 12 LEU CB C 12 41.383 41.383 42.337 -0.954 25452 2579 1 19 . 1 1 12 12 LEU H H 12 8.145 8.145 8.742 -0.597 25452 2580 1 19 . 1 1 13 13 TYR HA H 13 4.515 4.515 4.614 -0.099 25452 2581 1 19 . 1 1 13 13 TYR CA C 13 57.712 57.712 58.233 -0.520 25452 2582 1 19 . 1 1 13 13 TYR CB C 13 39.718 39.718 38.971 0.747 25452 2583 1 19 . 1 1 13 13 TYR H H 13 7.616 7.616 7.750 -0.134 25452 2584 1 19 . 1 1 14 14 GLY CA C 14 46.708 46.708 45.371 1.337 25452 2585 1 19 . 1 1 14 14 GLY H H 14 7.825 7.825 7.918 -0.093 25452 2586 1 19 . 1 1 15 15 THR HA H 15 4.690 4.690 4.616 0.074 25452 2587 1 19 . 1 1 15 15 THR CA C 15 60.074 60.074 60.146 -0.072 25452 2588 1 19 . 1 1 15 15 THR CB C 15 71.665 71.665 70.624 1.042 25452 2589 1 19 . 1 1 15 15 THR H H 15 7.618 7.618 7.889 -0.271 25452 2590 1 19 . 1 1 16 16 LYS HA H 16 4.556 4.556 4.485 0.071 25452 2591 1 19 . 1 1 16 16 LYS CA C 16 54.782 54.782 55.972 -1.190 25452 2592 1 19 . 1 1 16 16 LYS CB C 16 34.305 34.305 32.139 2.166 25452 2593 1 19 . 1 1 16 16 LYS H H 16 8.873 8.873 8.796 0.077 25452 2594 1 19 . 1 1 17 17 GLY CA C 17 44.600 44.600 43.162 1.438 25452 2595 1 19 . 1 1 17 17 GLY H H 17 8.283 8.283 7.746 0.537 25452 2596 1 19 . 1 1 18 18 PRO HA H 18 4.579 4.579 4.489 0.090 25452 2597 1 19 . 1 1 18 18 PRO CA C 18 62.799 62.799 62.557 0.242 25452 2598 1 19 . 1 1 18 18 PRO CB C 18 33.234 33.234 32.903 0.331 25452 2599 1 19 . 1 1 19 19 GLY CA C 19 43.985 43.985 43.622 0.363 25452 2600 1 19 . 1 1 19 19 GLY H H 19 8.535 8.535 8.388 0.147 25452 2601 1 19 . 1 1 20 20 CYS HA H 20 4.982 4.982 4.534 0.448 25452 2602 1 19 . 1 1 20 20 CYS CA C 20 55.904 55.904 60.159 -4.255 25452 2603 1 19 . 1 1 20 20 CYS CB C 20 39.643 39.643 25.404 14.239 25452 2604 1 19 . 1 1 20 20 CYS H H 20 9.178 9.178 8.891 0.287 25452 2605 1 19 . 1 1 21 21 CYS HA H 21 4.434 4.434 4.133 0.301 25452 2606 1 19 . 1 1 21 21 CYS CA C 21 56.857 56.857 61.342 -4.485 25452 2607 1 19 . 1 1 21 21 CYS CB C 21 39.151 39.151 27.552 11.599 25452 2608 1 19 . 1 1 21 21 CYS H H 21 9.959 9.959 8.961 0.998 25452 2609 1 19 . 1 1 22 22 ASN HA H 22 4.831 4.831 4.758 0.073 25452 2610 1 19 . 1 1 22 22 ASN CA C 22 52.786 52.786 52.986 -0.200 25452 2611 1 19 . 1 1 22 22 ASN CB C 22 41.225 41.225 38.919 2.306 25452 2612 1 19 . 1 1 22 22 ASN H H 22 8.699 8.699 8.165 0.534 25452 2613 1 19 . 1 1 23 23 GLY CA C 23 45.394 45.394 45.174 0.220 25452 2614 1 19 . 1 1 23 23 GLY H H 23 8.394 8.394 8.279 0.115 25452 2615 1 19 . 1 1 24 24 LYS HA H 24 4.488 4.488 4.607 -0.119 25452 2616 1 19 . 1 1 24 24 LYS CA C 24 55.015 55.015 55.948 -0.933 25452 2617 1 19 . 1 1 24 24 LYS CB C 24 35.233 35.233 36.336 -1.103 25452 2618 1 19 . 1 1 24 24 LYS H H 24 8.189 8.189 8.262 -0.073 25452 2619 1 19 . 1 1 25 25 CYS HA H 25 4.701 4.701 4.563 0.138 25452 2620 1 19 . 1 1 25 25 CYS CA C 25 55.336 55.336 58.770 -3.434 25452 2621 1 19 . 1 1 25 25 CYS CB C 25 38.089 38.089 26.669 11.420 25452 2622 1 19 . 1 1 25 25 CYS H H 25 8.928 8.928 8.695 0.233 25452 2623 1 19 . 1 1 26 26 ILE HA H 26 4.249 4.249 4.156 0.093 25452 2624 1 19 . 1 1 26 26 ILE CA C 26 60.017 60.017 59.507 0.510 25452 2625 1 19 . 1 1 26 26 ILE CB C 26 38.295 38.295 35.613 2.682 25452 2626 1 19 . 1 1 26 26 ILE H H 26 8.272 8.272 9.097 -0.825 25452 2627 1 19 . 1 1 27 27 CYS HA H 27 5.292 5.292 4.598 0.694 25452 2628 1 19 . 1 1 27 27 CYS CA C 27 54.607 54.607 58.546 -3.939 25452 2629 1 19 . 1 1 27 27 CYS CB C 27 46.328 46.328 26.503 19.825 25452 2630 1 19 . 1 1 27 27 CYS H H 27 8.782 8.782 8.395 0.387 25452 2631 1 19 . 1 1 28 28 ARG HA H 28 4.566 4.566 4.642 -0.076 25452 2632 1 19 . 1 1 28 28 ARG CA C 28 55.129 55.129 55.219 -0.090 25452 2633 1 19 . 1 1 28 28 ARG CB C 28 32.925 32.925 34.555 -1.630 25452 2634 1 19 . 1 1 28 28 ARG H H 28 8.644 8.644 8.435 0.209 25452 2635 1 19 . 1 1 29 29 THR HA H 29 4.573 4.573 4.910 -0.337 25452 2636 1 19 . 1 1 29 29 THR CA C 29 62.315 62.315 61.925 0.390 25452 2637 1 19 . 1 1 29 29 THR CB C 29 69.965 69.965 68.799 1.166 25452 2638 1 19 . 1 1 29 29 THR H H 29 8.551 8.551 8.362 0.189 25452 2639 1 19 . 1 1 30 30 VAL HA H 30 4.444 4.444 4.181 0.263 25452 2640 1 19 . 1 1 30 30 VAL CA C 30 60.186 60.186 60.371 -0.185 25452 2641 1 19 . 1 1 30 30 VAL CB C 30 32.749 32.749 31.461 1.288 25452 2642 1 19 . 1 1 30 30 VAL H H 30 8.578 8.578 8.676 -0.098 25452 2643 1 19 . 1 1 31 31 PRO HA H 31 4.351 4.351 4.179 0.172 25452 2644 1 19 . 1 1 31 31 PRO CA C 31 64.468 64.468 65.243 -0.775 25452 2645 1 19 . 1 1 31 31 PRO CB C 31 32.294 32.294 31.710 0.584 25452 2646 1 19 . 1 1 32 32 ARG HA H 32 4.135 4.135 4.302 -0.167 25452 2647 1 19 . 1 1 32 32 ARG CA C 32 57.993 57.993 55.732 2.261 25452 2648 1 19 . 1 1 32 32 ARG CB C 32 29.785 29.785 28.348 1.437 25452 2649 1 19 . 1 1 32 32 ARG H H 32 8.658 8.658 8.306 0.352 25452 2650 1 19 . 1 1 33 33 LYS HA H 33 4.395 4.395 3.989 0.406 25452 2651 1 19 . 1 1 33 33 LYS CA C 33 56.622 56.622 57.274 -0.652 25452 2652 1 19 . 1 1 33 33 LYS CB C 33 33.815 33.815 29.829 3.986 25452 2653 1 19 . 1 1 33 33 LYS H H 33 8.200 8.200 8.345 -0.145 25452 2654 1 19 . 1 1 34 34 GLY CA C 34 46.119 46.119 45.226 0.893 25452 2655 1 19 . 1 1 34 34 GLY H H 34 8.501 8.501 8.132 0.369 25452 2656 1 19 . 1 1 35 35 VAL HA H 35 4.417 4.417 4.157 0.260 25452 2657 1 19 . 1 1 35 35 VAL CA C 35 60.474 60.474 61.208 -0.734 25452 2658 1 19 . 1 1 35 35 VAL CB C 35 34.629 34.629 29.255 5.374 25452 2659 1 19 . 1 1 35 35 VAL H H 35 7.317 7.317 8.323 -1.006 25452 2660 1 19 . 1 1 36 36 ASN HA H 36 5.145 5.145 4.558 0.587 25452 2661 1 19 . 1 1 36 36 ASN CA C 36 53.013 53.013 53.306 -0.293 25452 2662 1 19 . 1 1 36 36 ASN CB C 36 40.500 40.500 40.154 0.346 25452 2663 1 19 . 1 1 36 36 ASN H H 36 8.789 8.789 7.889 0.900 25452 2664 1 19 . 1 1 37 37 SER HA H 37 4.656 4.656 4.697 -0.041 25452 2665 1 19 . 1 1 37 37 SER CA C 37 57.429 57.429 57.036 0.393 25452 2666 1 19 . 1 1 37 37 SER CB C 37 64.251 64.251 62.988 1.263 25452 2667 1 19 . 1 1 37 37 SER H H 37 8.774 8.774 7.916 0.858 25452 2668 1 19 . 1 1 38 38 CYS HA H 38 5.566 5.566 4.825 0.741 25452 2669 1 19 . 1 1 38 38 CYS CA C 38 55.624 55.624 58.245 -2.622 25452 2670 1 19 . 1 1 38 38 CYS CB C 38 48.350 48.350 26.718 21.632 25452 2671 1 19 . 1 1 38 38 CYS H H 38 8.973 8.973 8.781 0.192 25452 2672 1 19 . 1 1 39 39 ARG HA H 39 5.120 5.120 4.615 0.505 25452 2673 1 19 . 1 1 39 39 ARG CA C 39 54.635 54.635 54.079 0.556 25452 2674 1 19 . 1 1 39 39 ARG CB C 39 36.013 36.013 32.344 3.669 25452 2675 1 19 . 1 1 39 39 ARG H H 39 8.787 8.787 8.424 0.363 25452 2676 1 19 . 1 1 40 40 CYS HA H 40 4.925 4.925 4.778 0.147 25452 2677 1 19 . 1 1 40 40 CYS CA C 40 56.037 56.037 60.855 -4.819 25452 2678 1 19 . 1 1 40 40 CYS CB C 40 39.651 39.651 26.182 13.469 25452 2679 1 19 . 1 1 40 40 CYS H H 40 8.580 8.580 8.465 0.115 25452 2680 1 20 . 1 1 2 2 ALA HA H 2 4.738 4.738 4.516 0.222 25452 2681 1 20 . 1 1 2 2 ALA CA C 2 51.709 51.709 52.313 -0.604 25452 2682 1 20 . 1 1 2 2 ALA CB C 2 21.586 21.586 19.349 2.237 25452 2683 1 20 . 1 1 2 2 ALA H H 2 9.549 9.549 8.270 1.279 25452 2684 1 20 . 1 1 3 3 SER HA H 3 4.413 4.413 4.369 0.044 25452 2685 1 20 . 1 1 3 3 SER CA C 3 58.103 58.103 57.453 0.650 25452 2686 1 20 . 1 1 3 3 SER CB C 3 64.407 64.407 64.230 0.177 25452 2687 1 20 . 1 1 3 3 SER H H 3 9.174 9.174 8.496 0.678 25452 2688 1 20 . 1 1 4 4 LYS HA H 4 3.751 3.751 3.971 -0.220 25452 2689 1 20 . 1 1 4 4 LYS CA C 4 59.020 59.020 58.194 0.826 25452 2690 1 20 . 1 1 4 4 LYS H H 4 8.275 8.275 8.294 -0.019 25452 2691 1 20 . 1 1 5 5 ASN HA H 5 4.366 4.366 4.371 -0.005 25452 2692 1 20 . 1 1 5 5 ASN CA C 5 55.761 55.761 54.637 1.124 25452 2693 1 20 . 1 1 5 5 ASN CB C 5 38.046 38.046 37.472 0.574 25452 2694 1 20 . 1 1 5 5 ASN H H 5 9.046 9.046 9.071 -0.025 25452 2695 1 20 . 1 1 6 6 GLU HA H 6 4.461 4.461 4.562 -0.101 25452 2696 1 20 . 1 1 6 6 GLU CA C 6 55.983 55.983 54.852 1.131 25452 2697 1 20 . 1 1 6 6 GLU CB C 6 31.173 31.173 31.905 -0.732 25452 2698 1 20 . 1 1 6 6 GLU H H 6 8.024 8.024 7.779 0.245 25452 2699 1 20 . 1 1 7 7 ARG HA H 7 4.641 4.641 4.445 0.196 25452 2700 1 20 . 1 1 7 7 ARG CA C 7 57.262 57.262 57.177 0.085 25452 2701 1 20 . 1 1 7 7 ARG CB C 7 30.703 30.703 29.946 0.757 25452 2702 1 20 . 1 1 7 7 ARG H H 7 8.466 8.466 8.510 -0.044 25452 2703 1 20 . 1 1 8 8 CYS HA H 8 5.089 5.089 5.007 0.082 25452 2704 1 20 . 1 1 8 8 CYS CA C 8 52.465 52.465 55.960 -3.495 25452 2705 1 20 . 1 1 8 8 CYS CB C 8 48.107 48.107 30.883 17.224 25452 2706 1 20 . 1 1 8 8 CYS H H 8 7.408 7.408 8.409 -1.001 25452 2707 1 20 . 1 1 9 9 GLY CA C 9 43.986 43.986 44.099 -0.113 25452 2708 1 20 . 1 1 9 9 GLY H H 9 8.194 8.194 8.860 -0.665 25452 2709 1 20 . 1 1 10 10 ASN HA H 10 4.715 4.715 4.902 -0.187 25452 2710 1 20 . 1 1 10 10 ASN CA C 10 52.895 52.895 53.087 -0.192 25452 2711 1 20 . 1 1 10 10 ASN CB C 10 42.114 42.114 41.341 0.773 25452 2712 1 20 . 1 1 10 10 ASN H H 10 8.083 8.083 8.385 -0.302 25452 2713 1 20 . 1 1 11 11 ALA HA H 11 4.194 4.194 4.137 0.057 25452 2714 1 20 . 1 1 11 11 ALA CA C 11 55.288 55.288 54.827 0.461 25452 2715 1 20 . 1 1 11 11 ALA CB C 11 18.639 18.639 18.826 -0.187 25452 2716 1 20 . 1 1 11 11 ALA H H 11 9.249 9.249 8.904 0.345 25452 2717 1 20 . 1 1 12 12 LEU HA H 12 4.092 4.092 4.052 0.040 25452 2718 1 20 . 1 1 12 12 LEU CA C 12 57.320 57.320 57.562 -0.242 25452 2719 1 20 . 1 1 12 12 LEU CB C 12 41.383 41.383 42.529 -1.146 25452 2720 1 20 . 1 1 12 12 LEU H H 12 8.145 8.145 8.494 -0.349 25452 2721 1 20 . 1 1 13 13 TYR HA H 13 4.515 4.515 4.599 -0.084 25452 2722 1 20 . 1 1 13 13 TYR CA C 13 57.712 57.712 57.774 -0.062 25452 2723 1 20 . 1 1 13 13 TYR CB C 13 39.718 39.718 38.922 0.796 25452 2724 1 20 . 1 1 13 13 TYR H H 13 7.616 7.616 7.752 -0.136 25452 2725 1 20 . 1 1 14 14 GLY CA C 14 46.708 46.708 45.878 0.830 25452 2726 1 20 . 1 1 14 14 GLY H H 14 7.825 7.825 7.989 -0.164 25452 2727 1 20 . 1 1 15 15 THR HA H 15 4.690 4.690 4.602 0.088 25452 2728 1 20 . 1 1 15 15 THR CA C 15 60.074 60.074 60.719 -0.645 25452 2729 1 20 . 1 1 15 15 THR CB C 15 71.665 71.665 70.336 1.329 25452 2730 1 20 . 1 1 15 15 THR H H 15 7.618 7.618 7.944 -0.326 25452 2731 1 20 . 1 1 16 16 LYS HA H 16 4.556 4.556 4.575 -0.019 25452 2732 1 20 . 1 1 16 16 LYS CA C 16 54.782 54.782 55.447 -0.665 25452 2733 1 20 . 1 1 16 16 LYS CB C 16 34.305 34.305 31.234 3.071 25452 2734 1 20 . 1 1 16 16 LYS H H 16 8.873 8.873 8.864 0.009 25452 2735 1 20 . 1 1 17 17 GLY CA C 17 44.600 44.600 43.389 1.211 25452 2736 1 20 . 1 1 17 17 GLY H H 17 8.283 8.283 7.918 0.365 25452 2737 1 20 . 1 1 18 18 PRO HA H 18 4.579 4.579 4.500 0.079 25452 2738 1 20 . 1 1 18 18 PRO CA C 18 62.799 62.799 62.589 0.210 25452 2739 1 20 . 1 1 18 18 PRO CB C 18 33.234 33.234 32.852 0.382 25452 2740 1 20 . 1 1 19 19 GLY CA C 19 43.985 43.985 44.515 -0.530 25452 2741 1 20 . 1 1 19 19 GLY H H 19 8.535 8.535 8.408 0.127 25452 2742 1 20 . 1 1 20 20 CYS HA H 20 4.982 4.982 4.961 0.021 25452 2743 1 20 . 1 1 20 20 CYS CA C 20 55.904 55.904 58.575 -2.671 25452 2744 1 20 . 1 1 20 20 CYS CB C 20 39.643 39.643 28.872 10.771 25452 2745 1 20 . 1 1 20 20 CYS H H 20 9.178 9.178 8.291 0.887 25452 2746 1 20 . 1 1 21 21 CYS HA H 21 4.434 4.434 4.351 0.083 25452 2747 1 20 . 1 1 21 21 CYS CA C 21 56.857 56.857 58.516 -1.659 25452 2748 1 20 . 1 1 21 21 CYS CB C 21 39.151 39.151 24.238 14.913 25452 2749 1 20 . 1 1 21 21 CYS H H 21 9.959 9.959 8.807 1.152 25452 2750 1 20 . 1 1 22 22 ASN HA H 22 4.831 4.831 4.418 0.413 25452 2751 1 20 . 1 1 22 22 ASN CA C 22 52.786 52.786 54.057 -1.271 25452 2752 1 20 . 1 1 22 22 ASN CB C 22 41.225 41.225 38.024 3.201 25452 2753 1 20 . 1 1 22 22 ASN H H 22 8.699 8.699 8.836 -0.137 25452 2754 1 20 . 1 1 23 23 GLY CA C 23 45.394 45.394 44.731 0.663 25452 2755 1 20 . 1 1 23 23 GLY H H 23 8.394 8.394 8.017 0.377 25452 2756 1 20 . 1 1 24 24 LYS HA H 24 4.488 4.488 4.608 -0.120 25452 2757 1 20 . 1 1 24 24 LYS CA C 24 55.015 55.015 55.498 -0.483 25452 2758 1 20 . 1 1 24 24 LYS CB C 24 35.233 35.233 34.286 0.947 25452 2759 1 20 . 1 1 24 24 LYS H H 24 8.189 8.189 8.200 -0.011 25452 2760 1 20 . 1 1 25 25 CYS HA H 25 4.701 4.701 4.387 0.314 25452 2761 1 20 . 1 1 25 25 CYS CA C 25 55.336 55.336 59.544 -4.208 25452 2762 1 20 . 1 1 25 25 CYS CB C 25 38.089 38.089 27.689 10.400 25452 2763 1 20 . 1 1 25 25 CYS H H 25 8.928 8.928 8.829 0.099 25452 2764 1 20 . 1 1 26 26 ILE HA H 26 4.249 4.249 4.233 0.016 25452 2765 1 20 . 1 1 26 26 ILE CA C 26 60.017 60.017 59.095 0.922 25452 2766 1 20 . 1 1 26 26 ILE CB C 26 38.295 38.295 36.654 1.641 25452 2767 1 20 . 1 1 26 26 ILE H H 26 8.272 8.272 8.655 -0.383 25452 2768 1 20 . 1 1 27 27 CYS HA H 27 5.292 5.292 4.435 0.857 25452 2769 1 20 . 1 1 27 27 CYS CA C 27 54.607 54.607 58.669 -4.062 25452 2770 1 20 . 1 1 27 27 CYS CB C 27 46.328 46.328 25.857 20.471 25452 2771 1 20 . 1 1 27 27 CYS H H 27 8.782 8.782 8.489 0.293 25452 2772 1 20 . 1 1 28 28 ARG HA H 28 4.566 4.566 4.642 -0.076 25452 2773 1 20 . 1 1 28 28 ARG CA C 28 55.129 55.129 55.349 -0.220 25452 2774 1 20 . 1 1 28 28 ARG CB C 28 32.925 32.925 34.149 -1.224 25452 2775 1 20 . 1 1 28 28 ARG H H 28 8.644 8.644 8.543 0.101 25452 2776 1 20 . 1 1 29 29 THR HA H 29 4.573 4.573 5.300 -0.727 25452 2777 1 20 . 1 1 29 29 THR CA C 29 62.315 62.315 61.553 0.762 25452 2778 1 20 . 1 1 29 29 THR CB C 29 69.965 69.965 69.476 0.489 25452 2779 1 20 . 1 1 29 29 THR H H 29 8.551 8.551 8.380 0.171 25452 2780 1 20 . 1 1 30 30 VAL HA H 30 4.444 4.444 4.647 -0.203 25452 2781 1 20 . 1 1 30 30 VAL CA C 30 60.186 60.186 58.917 1.269 25452 2782 1 20 . 1 1 30 30 VAL CB C 30 32.749 32.749 35.767 -3.018 25452 2783 1 20 . 1 1 30 30 VAL H H 30 8.578 8.578 8.376 0.202 25452 2784 1 20 . 1 1 31 31 PRO HA H 31 4.351 4.351 4.298 0.053 25452 2785 1 20 . 1 1 31 31 PRO CA C 31 64.468 64.468 64.764 -0.296 25452 2786 1 20 . 1 1 31 31 PRO CB C 31 32.294 32.294 31.729 0.565 25452 2787 1 20 . 1 1 32 32 ARG HA H 32 4.135 4.135 4.257 -0.122 25452 2788 1 20 . 1 1 32 32 ARG CA C 32 57.993 57.993 55.567 2.426 25452 2789 1 20 . 1 1 32 32 ARG CB C 32 29.785 29.785 28.092 1.693 25452 2790 1 20 . 1 1 32 32 ARG H H 32 8.658 8.658 8.076 0.582 25452 2791 1 20 . 1 1 33 33 LYS HA H 33 4.395 4.395 3.977 0.418 25452 2792 1 20 . 1 1 33 33 LYS CA C 33 56.622 56.622 57.204 -0.582 25452 2793 1 20 . 1 1 33 33 LYS CB C 33 33.815 33.815 30.587 3.228 25452 2794 1 20 . 1 1 33 33 LYS H H 33 8.200 8.200 8.698 -0.498 25452 2795 1 20 . 1 1 34 34 GLY CA C 34 46.119 46.119 44.974 1.145 25452 2796 1 20 . 1 1 34 34 GLY H H 34 8.501 8.501 7.863 0.638 25452 2797 1 20 . 1 1 35 35 VAL HA H 35 4.417 4.417 3.920 0.497 25452 2798 1 20 . 1 1 35 35 VAL CA C 35 60.474 60.474 60.770 -0.296 25452 2799 1 20 . 1 1 35 35 VAL CB C 35 34.629 34.629 30.106 4.523 25452 2800 1 20 . 1 1 35 35 VAL H H 35 7.317 7.317 7.792 -0.475 25452 2801 1 20 . 1 1 36 36 ASN HA H 36 5.145 5.145 4.461 0.684 25452 2802 1 20 . 1 1 36 36 ASN CA C 36 53.013 53.013 54.168 -1.155 25452 2803 1 20 . 1 1 36 36 ASN CB C 36 40.500 40.500 37.529 2.971 25452 2804 1 20 . 1 1 36 36 ASN H H 36 8.789 8.789 8.269 0.520 25452 2805 1 20 . 1 1 37 37 SER HA H 37 4.656 4.656 4.613 0.043 25452 2806 1 20 . 1 1 37 37 SER CA C 37 57.429 57.429 57.904 -0.475 25452 2807 1 20 . 1 1 37 37 SER CB C 37 64.251 64.251 63.580 0.671 25452 2808 1 20 . 1 1 37 37 SER H H 37 8.774 8.774 8.039 0.735 25452 2809 1 20 . 1 1 38 38 CYS HA H 38 5.566 5.566 4.888 0.678 25452 2810 1 20 . 1 1 38 38 CYS CA C 38 55.624 55.624 57.704 -2.080 25452 2811 1 20 . 1 1 38 38 CYS CB C 38 48.350 48.350 27.503 20.847 25452 2812 1 20 . 1 1 38 38 CYS H H 38 8.973 8.973 8.743 0.230 25452 2813 1 20 . 1 1 39 39 ARG HA H 39 5.120 5.120 5.132 -0.012 25452 2814 1 20 . 1 1 39 39 ARG CA C 39 54.635 54.635 52.590 2.045 25452 2815 1 20 . 1 1 39 39 ARG CB C 39 36.013 36.013 31.080 4.933 25452 2816 1 20 . 1 1 39 39 ARG H H 39 8.787 8.787 8.597 0.190 25452 2817 1 20 . 1 1 40 40 CYS HA H 40 4.925 4.925 4.357 0.568 25452 2818 1 20 . 1 1 40 40 CYS CA C 40 56.037 56.037 60.618 -4.581 25452 2819 1 20 . 1 1 40 40 CYS CB C 40 39.651 39.651 27.298 12.353 25452 2820 1 20 . 1 1 40 40 CYS H H 40 8.580 8.580 8.652 -0.072 25452 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 0 0.000 0.000 0.000 25452 2 1 1 "Average Difference" HA 45 0.356 -0.024 0.359 25452 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25452 4 1 1 "Average Difference" CA 39 1.857 0.497 1.813 25452 5 1 1 "Average Difference" CB 32 7.635 -4.001 6.606 25452 6 1 1 "Average Difference" HN 37 0.457 -0.109 0.450 25452 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 25452 8 1 2 "Average Difference" HA 45 0.370 0.007 0.374 25452 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25452 10 1 2 "Average Difference" CA 39 1.817 0.414 1.792 25452 11 1 2 "Average Difference" CB 32 7.485 -3.990 6.434 25452 12 1 2 "Average Difference" HN 37 0.474 -0.136 0.461 25452 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 25452 14 1 3 "Average Difference" HA 45 0.341 -0.039 0.342 25452 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25452 16 1 3 "Average Difference" CA 39 1.785 0.396 1.763 25452 17 1 3 "Average Difference" CB 32 7.466 -4.091 6.346 25452 18 1 3 "Average Difference" HN 37 0.466 -0.111 0.459 25452 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 25452 20 1 4 "Average Difference" HA 45 0.366 -0.060 0.365 25452 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25452 22 1 4 "Average Difference" CA 39 1.873 0.567 1.808 25452 23 1 4 "Average Difference" CB 32 7.699 -4.293 6.493 25452 24 1 4 "Average Difference" HN 37 0.462 -0.109 0.455 25452 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 25452 26 1 5 "Average Difference" HA 45 0.341 -0.038 0.342 25452 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25452 28 1 5 "Average Difference" CA 39 1.780 0.460 1.742 25452 29 1 5 "Average Difference" CB 32 7.704 -4.190 6.568 25452 30 1 5 "Average Difference" HN 37 0.456 -0.140 0.440 25452 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 25452 32 1 6 "Average Difference" HA 45 0.377 -0.054 0.377 25452 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25452 34 1 6 "Average Difference" CA 39 1.787 0.421 1.759 25452 35 1 6 "Average Difference" CB 32 7.672 -4.075 6.605 25452 36 1 6 "Average Difference" HN 37 0.509 -0.137 0.497 25452 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 25452 38 1 7 "Average Difference" HA 45 0.356 -0.062 0.355 25452 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25452 40 1 7 "Average Difference" CA 39 1.864 0.461 1.829 25452 41 1 7 "Average Difference" CB 32 7.736 -4.362 6.491 25452 42 1 7 "Average Difference" HN 37 0.466 -0.150 0.448 25452 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 25452 44 1 8 "Average Difference" HA 45 0.335 -0.003 0.339 25452 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25452 46 1 8 "Average Difference" CA 39 1.704 0.412 1.675 25452 47 1 8 "Average Difference" CB 32 7.336 -3.801 6.375 25452 48 1 8 "Average Difference" HN 37 0.452 -0.130 0.439 25452 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 25452 50 1 9 "Average Difference" HA 45 0.350 -0.053 0.350 25452 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25452 52 1 9 "Average Difference" CA 39 1.679 0.479 1.630 25452 53 1 9 "Average Difference" CB 32 7.563 -4.069 6.478 25452 54 1 9 "Average Difference" HN 37 0.480 -0.153 0.462 25452 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 25452 56 1 10 "Average Difference" HA 45 0.368 -0.044 0.369 25452 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25452 58 1 10 "Average Difference" CA 39 1.654 0.463 1.608 25452 59 1 10 "Average Difference" CB 32 7.625 -3.980 6.608 25452 60 1 10 "Average Difference" HN 37 0.505 -0.170 0.482 25452 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 25452 62 1 11 "Average Difference" HA 45 0.341 -0.008 0.345 25452 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25452 64 1 11 "Average Difference" CA 39 1.788 0.375 1.771 25452 65 1 11 "Average Difference" CB 32 7.510 -3.920 6.508 25452 66 1 11 "Average Difference" HN 37 0.471 -0.126 0.460 25452 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 25452 68 1 12 "Average Difference" HA 45 0.344 -0.047 0.345 25452 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25452 70 1 12 "Average Difference" CA 39 1.741 0.493 1.692 25452 71 1 12 "Average Difference" CB 32 7.736 -4.303 6.532 25452 72 1 12 "Average Difference" HN 37 0.480 -0.085 0.479 25452 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 25452 74 1 13 "Average Difference" HA 45 0.339 -0.064 0.336 25452 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25452 76 1 13 "Average Difference" CA 39 1.759 0.535 1.697 25452 77 1 13 "Average Difference" CB 32 7.616 -4.115 6.511 25452 78 1 13 "Average Difference" HN 37 0.451 -0.104 0.445 25452 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 25452 80 1 14 "Average Difference" HA 45 0.359 -0.024 0.362 25452 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25452 82 1 14 "Average Difference" CA 39 1.853 0.439 1.824 25452 83 1 14 "Average Difference" CB 32 7.660 -4.074 6.591 25452 84 1 14 "Average Difference" HN 37 0.467 -0.157 0.446 25452 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 25452 86 1 15 "Average Difference" HA 45 0.359 0.004 0.363 25452 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25452 88 1 15 "Average Difference" CA 39 1.870 0.411 1.849 25452 89 1 15 "Average Difference" CB 32 7.512 -3.924 6.508 25452 90 1 15 "Average Difference" HN 37 0.501 -0.155 0.483 25452 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 25452 92 1 16 "Average Difference" HA 45 0.344 -0.084 0.338 25452 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25452 94 1 16 "Average Difference" CA 39 1.903 0.473 1.867 25452 95 1 16 "Average Difference" CB 32 7.843 -4.335 6.641 25452 96 1 16 "Average Difference" HN 37 0.509 -0.175 0.484 25452 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 25452 98 1 17 "Average Difference" HA 45 0.327 -0.009 0.331 25452 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25452 100 1 17 "Average Difference" CA 39 1.686 0.471 1.640 25452 101 1 17 "Average Difference" CB 32 7.498 -3.931 6.487 25452 102 1 17 "Average Difference" HN 37 0.480 -0.091 0.477 25452 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 25452 104 1 18 "Average Difference" HA 45 0.358 -0.012 0.362 25452 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25452 106 1 18 "Average Difference" CA 39 1.672 0.340 1.658 25452 107 1 18 "Average Difference" CB 32 7.610 -3.891 6.644 25452 108 1 18 "Average Difference" HN 37 0.509 -0.174 0.485 25452 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 25452 110 1 19 "Average Difference" HA 45 0.349 -0.040 0.351 25452 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25452 112 1 19 "Average Difference" CA 39 1.826 0.526 1.771 25452 113 1 19 "Average Difference" CB 32 7.733 -4.332 6.508 25452 114 1 19 "Average Difference" HN 37 0.499 -0.129 0.489 25452 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 25452 116 1 20 "Average Difference" HA 45 0.360 -0.057 0.360 25452 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25452 118 1 20 "Average Difference" CA 39 1.665 0.380 1.642 25452 119 1 20 "Average Difference" CB 32 7.629 -4.238 6.444 25452 120 1 20 "Average Difference" HN 37 0.492 -0.125 0.483 25452 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 25452 _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 ALA HA H 2 4.738 4.738 4.550 0.188 25452 2 1 . 1 1 2 2 ALA CA C 2 51.709 51.709 51.721 -0.012 25452 3 1 . 1 1 2 2 ALA CB C 2 21.586 21.586 20.149 1.437 25452 4 1 . 1 1 2 2 ALA H H 2 9.549 9.549 8.439 1.110 25452 5 1 . 1 1 3 3 SER HA H 3 4.413 4.413 4.530 -0.117 25452 6 1 . 1 1 3 3 SER CA C 3 58.103 58.103 56.905 1.198 25452 7 1 . 1 1 3 3 SER CB C 3 64.407 64.407 64.619 -0.212 25452 8 1 . 1 1 3 3 SER H H 3 9.174 9.174 8.479 0.695 25452 9 1 . 1 1 4 4 LYS HA H 4 3.751 3.751 4.004 -0.253 25452 10 1 . 1 1 4 4 LYS CA C 4 59.020 59.020 58.132 0.888 25452 11 1 . 1 1 4 4 LYS H H 4 8.275 8.275 8.416 -0.141 25452 12 1 . 1 1 5 5 ASN HA H 5 4.366 4.366 4.370 -0.004 25452 13 1 . 1 1 5 5 ASN CA C 5 55.761 55.761 54.869 0.892 25452 14 1 . 1 1 5 5 ASN CB C 5 38.046 38.046 37.602 0.444 25452 15 1 . 1 1 5 5 ASN H H 5 9.046 9.046 8.851 0.195 25452 16 1 . 1 1 6 6 GLU HA H 6 4.461 4.461 4.505 -0.044 25452 17 1 . 1 1 6 6 GLU CA C 6 55.983 55.983 54.991 0.992 25452 18 1 . 1 1 6 6 GLU CB C 6 31.173 31.173 31.587 -0.414 25452 19 1 . 1 1 6 6 GLU H H 6 8.024 8.024 7.716 0.308 25452 20 1 . 1 1 7 7 ARG HA H 7 4.641 4.641 4.513 0.128 25452 21 1 . 1 1 7 7 ARG CA C 7 57.262 57.262 56.484 0.778 25452 22 1 . 1 1 7 7 ARG CB C 7 30.703 30.703 29.873 0.830 25452 23 1 . 1 1 7 7 ARG H H 7 8.466 8.466 8.480 -0.014 25452 24 1 . 1 1 8 8 CYS HA H 8 5.089 5.089 5.165 -0.076 25452 25 1 . 1 1 8 8 CYS CA C 8 52.465 52.465 56.078 -3.613 25452 26 1 . 1 1 8 8 CYS CB C 8 48.107 48.107 30.893 17.214 25452 27 1 . 1 1 8 8 CYS H H 8 7.408 7.408 8.367 -0.959 25452 28 1 . 1 1 9 9 GLY CA C 9 43.986 43.986 44.079 -0.093 25452 29 1 . 1 1 9 9 GLY H H 9 8.194 8.194 8.601 -0.407 25452 30 1 . 1 1 10 10 ASN HA H 10 4.715 4.715 4.918 -0.203 25452 31 1 . 1 1 10 10 ASN CA C 10 52.895 52.895 53.012 -0.117 25452 32 1 . 1 1 10 10 ASN CB C 10 42.114 42.114 41.311 0.803 25452 33 1 . 1 1 10 10 ASN H H 10 8.083 8.083 8.324 -0.241 25452 34 1 . 1 1 11 11 ALA HA H 11 4.194 4.194 4.160 0.034 25452 35 1 . 1 1 11 11 ALA CA C 11 55.288 55.288 54.785 0.503 25452 36 1 . 1 1 11 11 ALA CB C 11 18.639 18.639 18.924 -0.285 25452 37 1 . 1 1 11 11 ALA H H 11 9.249 9.249 8.902 0.347 25452 38 1 . 1 1 12 12 LEU HA H 12 4.092 4.092 4.031 0.061 25452 39 1 . 1 1 12 12 LEU CA C 12 57.320 57.320 57.401 -0.081 25452 40 1 . 1 1 12 12 LEU CB C 12 41.383 41.383 42.229 -0.846 25452 41 1 . 1 1 12 12 LEU H H 12 8.145 8.145 8.535 -0.390 25452 42 1 . 1 1 13 13 TYR HA H 13 4.515 4.515 4.613 -0.098 25452 43 1 . 1 1 13 13 TYR CA C 13 57.712 57.712 57.700 0.012 25452 44 1 . 1 1 13 13 TYR CB C 13 39.718 39.718 38.592 1.126 25452 45 1 . 1 1 13 13 TYR H H 13 7.616 7.616 7.740 -0.124 25452 46 1 . 1 1 14 14 GLY CA C 14 46.708 46.708 45.902 0.806 25452 47 1 . 1 1 14 14 GLY H H 14 7.825 7.825 8.018 -0.193 25452 48 1 . 1 1 15 15 THR HA H 15 4.690 4.690 4.604 0.086 25452 49 1 . 1 1 15 15 THR CA C 15 60.074 60.074 60.418 -0.344 25452 50 1 . 1 1 15 15 THR CB C 15 71.665 71.665 70.616 1.049 25452 51 1 . 1 1 15 15 THR H H 15 7.618 7.618 7.905 -0.287 25452 52 1 . 1 1 16 16 LYS HA H 16 4.556 4.556 4.588 -0.032 25452 53 1 . 1 1 16 16 LYS CA C 16 54.782 54.782 55.688 -0.906 25452 54 1 . 1 1 16 16 LYS CB C 16 34.305 34.305 32.085 2.220 25452 55 1 . 1 1 16 16 LYS H H 16 8.873 8.873 8.749 0.124 25452 56 1 . 1 1 17 17 GLY CA C 17 44.600 44.600 43.998 0.602 25452 57 1 . 1 1 17 17 GLY H H 17 8.283 8.283 7.979 0.304 25452 58 1 . 1 1 18 18 PRO HA H 18 4.579 4.579 4.495 0.084 25452 59 1 . 1 1 18 18 PRO CA C 18 62.799 62.799 62.639 0.160 25452 60 1 . 1 1 18 18 PRO CB C 18 33.234 33.234 32.945 0.289 25452 61 1 . 1 1 19 19 GLY CA C 19 43.985 43.985 43.793 0.192 25452 62 1 . 1 1 19 19 GLY H H 19 8.535 8.535 8.405 0.130 25452 63 1 . 1 1 20 20 CYS HA H 20 4.982 4.982 4.680 0.302 25452 64 1 . 1 1 20 20 CYS CA C 20 55.904 55.904 59.494 -3.590 25452 65 1 . 1 1 20 20 CYS CB C 20 39.643 39.643 26.512 13.130 25452 66 1 . 1 1 20 20 CYS H H 20 9.178 9.178 8.697 0.481 25452 67 1 . 1 1 21 21 CYS HA H 21 4.434 4.434 4.211 0.223 25452 68 1 . 1 1 21 21 CYS CA C 21 56.857 56.857 60.827 -3.970 25452 69 1 . 1 1 21 21 CYS CB C 21 39.151 39.151 27.197 11.954 25452 70 1 . 1 1 21 21 CYS H H 21 9.959 9.959 8.899 1.060 25452 71 1 . 1 1 22 22 ASN HA H 22 4.831 4.831 4.753 0.078 25452 72 1 . 1 1 22 22 ASN CA C 22 52.786 52.786 53.295 -0.509 25452 73 1 . 1 1 22 22 ASN CB C 22 41.225 41.225 39.446 1.779 25452 74 1 . 1 1 22 22 ASN H H 22 8.699 8.699 8.188 0.511 25452 75 1 . 1 1 23 23 GLY CA C 23 45.394 45.394 44.998 0.396 25452 76 1 . 1 1 23 23 GLY H H 23 8.394 8.394 8.154 0.240 25452 77 1 . 1 1 24 24 LYS HA H 24 4.488 4.488 4.585 -0.097 25452 78 1 . 1 1 24 24 LYS CA C 24 55.015 55.015 55.699 -0.684 25452 79 1 . 1 1 24 24 LYS CB C 24 35.233 35.233 34.964 0.269 25452 80 1 . 1 1 24 24 LYS H H 24 8.189 8.189 8.226 -0.037 25452 81 1 . 1 1 25 25 CYS HA H 25 4.701 4.701 4.608 0.093 25452 82 1 . 1 1 25 25 CYS CA C 25 55.336 55.336 59.157 -3.822 25452 83 1 . 1 1 25 25 CYS CB C 25 38.089 38.089 27.290 10.799 25452 84 1 . 1 1 25 25 CYS H H 25 8.928 8.928 8.704 0.224 25452 85 1 . 1 1 26 26 ILE HA H 26 4.249 4.249 4.291 -0.042 25452 86 1 . 1 1 26 26 ILE CA C 26 60.017 60.017 59.544 0.473 25452 87 1 . 1 1 26 26 ILE CB C 26 38.295 38.295 37.848 0.447 25452 88 1 . 1 1 26 26 ILE H H 26 8.272 8.272 8.914 -0.642 25452 89 1 . 1 1 27 27 CYS HA H 27 5.292 5.292 4.556 0.736 25452 90 1 . 1 1 27 27 CYS CA C 27 54.607 54.607 58.300 -3.693 25452 91 1 . 1 1 27 27 CYS CB C 27 46.328 46.328 26.223 20.105 25452 92 1 . 1 1 27 27 CYS H H 27 8.782 8.782 8.586 0.196 25452 93 1 . 1 1 28 28 ARG HA H 28 4.566 4.566 4.676 -0.110 25452 94 1 . 1 1 28 28 ARG CA C 28 55.129 55.129 55.039 0.090 25452 95 1 . 1 1 28 28 ARG CB C 28 32.925 32.925 34.226 -1.301 25452 96 1 . 1 1 28 28 ARG H H 28 8.644 8.644 8.436 0.208 25452 97 1 . 1 1 29 29 THR HA H 29 4.573 4.573 5.076 -0.503 25452 98 1 . 1 1 29 29 THR CA C 29 62.315 62.315 61.385 0.930 25452 99 1 . 1 1 29 29 THR CB C 29 69.965 69.965 69.573 0.392 25452 100 1 . 1 1 29 29 THR H H 29 8.551 8.551 8.336 0.215 25452 101 1 . 1 1 30 30 VAL HA H 30 4.444 4.444 4.573 -0.129 25452 102 1 . 1 1 30 30 VAL CA C 30 60.186 60.186 58.793 1.393 25452 103 1 . 1 1 30 30 VAL CB C 30 32.749 32.749 34.563 -1.814 25452 104 1 . 1 1 30 30 VAL H H 30 8.578 8.578 8.365 0.213 25452 105 1 . 1 1 31 31 PRO HA H 31 4.351 4.351 4.233 0.118 25452 106 1 . 1 1 31 31 PRO CA C 31 64.468 64.468 64.887 -0.418 25452 107 1 . 1 1 31 31 PRO CB C 31 32.294 32.294 31.791 0.503 25452 108 1 . 1 1 32 32 ARG HA H 32 4.135 4.135 4.225 -0.090 25452 109 1 . 1 1 32 32 ARG CA C 32 57.993 57.993 56.150 1.844 25452 110 1 . 1 1 32 32 ARG CB C 32 29.785 29.785 28.556 1.229 25452 111 1 . 1 1 32 32 ARG H H 32 8.658 8.658 8.089 0.569 25452 112 1 . 1 1 33 33 LYS HA H 33 4.395 4.395 3.985 0.410 25452 113 1 . 1 1 33 33 LYS CA C 33 56.622 56.622 57.228 -0.606 25452 114 1 . 1 1 33 33 LYS CB C 33 33.815 33.815 30.138 3.677 25452 115 1 . 1 1 33 33 LYS H H 33 8.200 8.200 8.547 -0.347 25452 116 1 . 1 1 34 34 GLY CA C 34 46.119 46.119 44.852 1.267 25452 117 1 . 1 1 34 34 GLY H H 34 8.501 8.501 8.055 0.446 25452 118 1 . 1 1 35 35 VAL HA H 35 4.417 4.417 4.013 0.404 25452 119 1 . 1 1 35 35 VAL CA C 35 60.474 60.474 61.563 -1.089 25452 120 1 . 1 1 35 35 VAL CB C 35 34.629 34.629 30.558 4.071 25452 121 1 . 1 1 35 35 VAL H H 35 7.317 7.317 7.969 -0.652 25452 122 1 . 1 1 36 36 ASN HA H 36 5.145 5.145 4.477 0.668 25452 123 1 . 1 1 36 36 ASN CA C 36 53.013 53.013 54.025 -1.012 25452 124 1 . 1 1 36 36 ASN CB C 36 40.500 40.500 37.323 3.177 25452 125 1 . 1 1 36 36 ASN H H 36 8.789 8.789 8.259 0.530 25452 126 1 . 1 1 37 37 SER HA H 37 4.656 4.656 4.557 0.099 25452 127 1 . 1 1 37 37 SER CA C 37 57.429 57.429 58.114 -0.685 25452 128 1 . 1 1 37 37 SER CB C 37 64.251 64.251 63.434 0.817 25452 129 1 . 1 1 37 37 SER H H 37 8.774 8.774 8.072 0.702 25452 130 1 . 1 1 38 38 CYS HA H 38 5.566 5.566 4.875 0.691 25452 131 1 . 1 1 38 38 CYS CA C 38 55.624 55.624 57.979 -2.355 25452 132 1 . 1 1 38 38 CYS CB C 38 48.350 48.350 27.048 21.302 25452 133 1 . 1 1 38 38 CYS H H 38 8.973 8.973 8.733 0.240 25452 134 1 . 1 1 39 39 ARG HA H 39 5.120 5.120 4.897 0.223 25452 135 1 . 1 1 39 39 ARG CA C 39 54.635 54.635 53.475 1.160 25452 136 1 . 1 1 39 39 ARG CB C 39 36.013 36.013 32.544 3.469 25452 137 1 . 1 1 39 39 ARG H H 39 8.787 8.787 8.503 0.284 25452 138 1 . 1 1 40 40 CYS HA H 40 4.925 4.925 4.609 0.316 25452 139 1 . 1 1 40 40 CYS CA C 40 56.037 56.037 60.594 -4.557 25452 140 1 . 1 1 40 40 CYS CB C 40 39.651 39.651 26.248 13.403 25452 141 1 . 1 1 40 40 CYS H H 40 8.580 8.580 8.546 0.034 25452 stop_ save_