data_19085 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19085 _Entry.PDB_ID 2M5X 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 19085 _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 N N 2 126.951 126.951 124.615 2.336 19085 2 1 1 . 1 1 2 2 ALA HA H 2 4.301 4.301 5.220 -0.919 19085 3 1 1 . 1 1 2 2 ALA CA C 2 52.406 52.406 52.288 0.118 19085 4 1 1 . 1 1 2 2 ALA CB C 2 19.210 19.210 19.443 -0.233 19085 5 1 1 . 1 1 2 2 ALA H H 2 8.685 8.685 8.705 -0.020 19085 6 1 1 . 1 1 3 3 ALA N N 3 124.358 124.358 121.950 2.408 19085 7 1 1 . 1 1 3 3 ALA HA H 3 4.269 4.269 4.329 -0.060 19085 8 1 1 . 1 1 3 3 ALA CA C 3 52.178 52.178 51.924 0.254 19085 9 1 1 . 1 1 3 3 ALA CB C 3 19.345 19.345 19.480 -0.135 19085 10 1 1 . 1 1 3 3 ALA H H 3 8.328 8.328 8.013 0.315 19085 11 1 1 . 1 1 4 4 VAL N N 4 119.842 119.842 113.943 5.899 19085 12 1 1 . 1 1 4 4 VAL HA H 4 3.949 3.949 4.241 -0.292 19085 13 1 1 . 1 1 4 4 VAL CA C 4 62.170 62.170 62.992 -0.822 19085 14 1 1 . 1 1 4 4 VAL CB C 4 32.626 32.626 31.935 0.691 19085 15 1 1 . 1 1 4 4 VAL H H 4 8.107 8.107 8.086 0.021 19085 16 1 1 . 1 1 5 5 CYS N N 5 121.502 121.502 120.351 1.151 19085 17 1 1 . 1 1 5 5 CYS HA H 5 4.633 4.633 4.414 0.219 19085 18 1 1 . 1 1 5 5 CYS CB C 5 35.325 35.325 28.729 6.596 19085 19 1 1 . 1 1 5 5 CYS H H 5 7.666 7.666 7.732 -0.066 19085 20 1 1 . 1 1 6 6 THR N N 6 109.529 109.529 114.478 -4.949 19085 21 1 1 . 1 1 6 6 THR HA H 6 4.674 4.674 4.437 0.237 19085 22 1 1 . 1 1 6 6 THR H H 6 8.411 8.411 7.990 0.421 19085 23 1 1 . 1 1 7 7 THR N N 7 112.520 112.520 108.887 3.633 19085 24 1 1 . 1 1 7 7 THR HA H 7 4.729 4.729 4.545 0.184 19085 25 1 1 . 1 1 7 7 THR H H 7 8.362 8.362 8.135 0.227 19085 26 1 1 . 1 1 8 8 GLU N N 8 123.121 123.121 122.526 0.595 19085 27 1 1 . 1 1 8 8 GLU HA H 8 4.138 4.138 4.350 -0.212 19085 28 1 1 . 1 1 8 8 GLU CA C 8 57.299 57.299 56.213 1.086 19085 29 1 1 . 1 1 8 8 GLU CB C 8 29.033 29.033 30.327 -1.294 19085 30 1 1 . 1 1 8 8 GLU H H 8 7.885 7.885 7.507 0.378 19085 31 1 1 . 1 1 9 9 TRP N N 9 126.973 126.973 129.121 -2.148 19085 32 1 1 . 1 1 9 9 TRP HA H 9 4.938 4.938 4.710 0.228 19085 33 1 1 . 1 1 9 9 TRP CB C 9 29.305 29.305 29.164 0.141 19085 34 1 1 . 1 1 9 9 TRP H H 9 8.799 8.799 8.645 0.154 19085 35 1 1 . 1 1 10 10 ASP N N 10 126.641 126.641 128.887 -2.246 19085 36 1 1 . 1 1 10 10 ASP HA H 10 4.656 4.656 4.740 -0.084 19085 37 1 1 . 1 1 10 10 ASP CA C 10 50.047 50.047 51.141 -1.093 19085 38 1 1 . 1 1 10 10 ASP CB C 10 38.489 38.489 42.729 -4.240 19085 39 1 1 . 1 1 10 10 ASP H H 10 8.790 8.790 8.219 0.571 19085 40 1 1 . 1 1 11 11 PRO HA H 11 4.054 4.054 4.793 -0.739 19085 41 1 1 . 1 1 11 11 PRO CA C 11 62.749 62.749 62.412 0.337 19085 42 1 1 . 1 1 11 11 PRO CB C 11 33.189 33.189 31.983 1.206 19085 43 1 1 . 1 1 12 12 VAL N N 12 110.024 110.024 115.391 -5.367 19085 44 1 1 . 1 1 12 12 VAL HA H 12 4.447 4.447 4.623 -0.176 19085 45 1 1 . 1 1 12 12 VAL H H 12 8.078 8.078 8.553 -0.475 19085 46 1 1 . 1 1 13 13 CYS N N 13 120.371 120.371 119.781 0.590 19085 47 1 1 . 1 1 13 13 CYS HA H 13 5.222 5.222 5.609 -0.387 19085 48 1 1 . 1 1 13 13 CYS CA C 13 53.837 53.837 56.958 -3.121 19085 49 1 1 . 1 1 13 13 CYS CB C 13 38.384 38.384 30.527 7.856 19085 50 1 1 . 1 1 13 13 CYS H H 13 8.431 8.431 8.877 -0.446 19085 51 1 1 . 1 1 14 14 GLY N N 14 116.333 116.333 112.822 3.511 19085 52 1 1 . 1 1 14 14 GLY CA C 14 45.741 45.741 44.347 1.394 19085 53 1 1 . 1 1 14 14 GLY H H 14 9.577 9.577 9.272 0.305 19085 54 1 1 . 1 1 15 15 LYS N N 15 122.042 122.042 119.650 2.392 19085 55 1 1 . 1 1 15 15 LYS HA H 15 4.004 4.004 4.133 -0.129 19085 56 1 1 . 1 1 15 15 LYS CA C 15 59.084 59.084 58.555 0.529 19085 57 1 1 . 1 1 15 15 LYS CB C 15 32.259 32.259 32.478 -0.219 19085 58 1 1 . 1 1 15 15 LYS H H 15 8.838 8.838 8.382 0.456 19085 59 1 1 . 1 1 16 16 ASP N N 16 116.512 116.512 115.688 0.824 19085 60 1 1 . 1 1 16 16 ASP HA H 16 4.405 4.405 4.663 -0.258 19085 61 1 1 . 1 1 16 16 ASP CB C 16 39.824 39.824 39.648 0.176 19085 62 1 1 . 1 1 16 16 ASP H H 16 8.354 8.354 7.910 0.444 19085 63 1 1 . 1 1 17 17 GLY N N 17 108.685 108.685 108.632 0.053 19085 64 1 1 . 1 1 17 17 GLY CA C 17 45.730 45.730 45.714 0.016 19085 65 1 1 . 1 1 17 17 GLY H H 17 8.215 8.215 7.866 0.349 19085 66 1 1 . 1 1 18 18 LYS N N 18 121.419 121.419 122.006 -0.587 19085 67 1 1 . 1 1 18 18 LYS HA H 18 4.396 4.396 4.338 0.058 19085 68 1 1 . 1 1 18 18 LYS CA C 18 54.813 54.813 55.890 -1.077 19085 69 1 1 . 1 1 18 18 LYS CB C 18 33.625 33.625 33.066 0.559 19085 70 1 1 . 1 1 18 18 LYS H H 18 7.827 7.827 8.242 -0.415 19085 71 1 1 . 1 1 19 19 THR N N 19 121.800 121.800 119.312 2.488 19085 72 1 1 . 1 1 19 19 THR HA H 19 4.843 4.843 4.810 0.033 19085 73 1 1 . 1 1 19 19 THR CB C 19 69.515 69.515 69.173 0.342 19085 74 1 1 . 1 1 19 19 THR H H 19 8.344 8.344 8.356 -0.012 19085 75 1 1 . 1 1 20 20 TYR N N 20 127.910 127.910 126.866 1.044 19085 76 1 1 . 1 1 20 20 TYR HA H 20 4.508 4.508 4.743 -0.235 19085 77 1 1 . 1 1 20 20 TYR CB C 20 41.681 41.681 40.868 0.813 19085 78 1 1 . 1 1 20 20 TYR H H 20 9.355 9.355 9.198 0.157 19085 79 1 1 . 1 1 21 21 SER N N 21 116.849 116.849 119.071 -2.222 19085 80 1 1 . 1 1 21 21 SER HA H 21 3.804 3.804 4.031 -0.227 19085 81 1 1 . 1 1 21 21 SER CA C 21 61.968 61.968 61.900 0.068 19085 82 1 1 . 1 1 21 21 SER CB C 21 63.517 63.517 63.650 -0.133 19085 83 1 1 . 1 1 21 21 SER H H 21 9.035 9.035 9.123 -0.088 19085 84 1 1 . 1 1 22 22 ASN N N 22 105.634 105.634 115.917 -10.283 19085 85 1 1 . 1 1 22 22 ASN HA H 22 4.813 4.813 5.069 -0.256 19085 86 1 1 . 1 1 22 22 ASN CB C 22 40.080 40.080 40.232 -0.152 19085 87 1 1 . 1 1 22 22 ASN H H 22 7.344 7.344 7.836 -0.492 19085 88 1 1 . 1 1 23 23 LEU N N 23 118.802 118.802 120.535 -1.733 19085 89 1 1 . 1 1 23 23 LEU HA H 23 3.857 3.857 4.097 -0.240 19085 90 1 1 . 1 1 23 23 LEU CA C 23 57.560 57.560 57.645 -0.085 19085 91 1 1 . 1 1 23 23 LEU CB C 23 42.864 42.864 41.975 0.888 19085 92 1 1 . 1 1 23 23 LEU H H 23 8.832 8.832 8.465 0.367 19085 93 1 1 . 1 1 24 24 CYS N N 24 119.567 119.567 119.287 0.280 19085 94 1 1 . 1 1 24 24 CYS HA H 24 4.139 4.139 3.955 0.184 19085 95 1 1 . 1 1 24 24 CYS CA C 24 60.622 60.622 62.511 -1.889 19085 96 1 1 . 1 1 24 24 CYS CB C 24 35.293 35.293 25.308 9.985 19085 97 1 1 . 1 1 24 24 CYS H H 24 8.180 8.180 8.262 -0.082 19085 98 1 1 . 1 1 25 25 TRP N N 25 120.561 120.561 120.433 0.128 19085 99 1 1 . 1 1 25 25 TRP HA H 25 4.340 4.340 4.361 -0.021 19085 100 1 1 . 1 1 25 25 TRP CB C 25 30.325 30.325 29.157 1.168 19085 101 1 1 . 1 1 25 25 TRP H H 25 7.587 7.587 8.474 -0.887 19085 102 1 1 . 1 1 26 26 LEU N N 26 122.581 122.581 120.653 1.928 19085 103 1 1 . 1 1 26 26 LEU HA H 26 2.935 2.935 2.771 0.164 19085 104 1 1 . 1 1 26 26 LEU CA C 26 58.635 58.635 57.075 1.560 19085 105 1 1 . 1 1 26 26 LEU CB C 26 41.365 41.365 41.076 0.289 19085 106 1 1 . 1 1 26 26 LEU H H 26 7.312 7.312 7.427 -0.115 19085 107 1 1 . 1 1 27 27 ASN N N 27 117.645 117.645 117.602 0.043 19085 108 1 1 . 1 1 27 27 ASN HA H 27 4.411 4.411 4.274 0.137 19085 109 1 1 . 1 1 27 27 ASN CB C 27 37.644 37.644 38.830 -1.186 19085 110 1 1 . 1 1 27 27 ASN H H 27 8.444 8.444 8.019 0.425 19085 111 1 1 . 1 1 28 28 GLU N N 28 121.101 121.101 119.131 1.970 19085 112 1 1 . 1 1 28 28 GLU HA H 28 4.017 4.017 4.116 -0.099 19085 113 1 1 . 1 1 28 28 GLU CA C 28 58.804 58.804 58.496 0.308 19085 114 1 1 . 1 1 28 28 GLU CB C 28 28.166 28.166 29.255 -1.089 19085 115 1 1 . 1 1 28 28 GLU H H 28 8.365 8.365 8.376 -0.011 19085 116 1 1 . 1 1 29 29 ALA N N 29 120.397 120.397 119.278 1.119 19085 117 1 1 . 1 1 29 29 ALA HA H 29 4.335 4.335 4.361 -0.026 19085 118 1 1 . 1 1 29 29 ALA CA C 29 52.561 52.561 52.287 0.274 19085 119 1 1 . 1 1 29 29 ALA CB C 29 18.678 18.678 19.152 -0.474 19085 120 1 1 . 1 1 29 29 ALA H H 29 7.530 7.530 7.668 -0.138 19085 121 1 1 . 1 1 30 30 GLY N N 30 106.021 106.021 106.370 -0.349 19085 122 1 1 . 1 1 30 30 GLY CA C 30 46.111 46.111 45.342 0.769 19085 123 1 1 . 1 1 30 30 GLY H H 30 7.793 7.793 7.723 0.070 19085 124 1 1 . 1 1 31 31 VAL N N 31 116.550 116.550 120.383 -3.833 19085 125 1 1 . 1 1 31 31 VAL HA H 31 4.066 4.066 4.148 -0.082 19085 126 1 1 . 1 1 31 31 VAL CA C 31 60.934 60.934 62.324 -1.390 19085 127 1 1 . 1 1 31 31 VAL H H 31 6.611 6.611 7.176 -0.565 19085 128 1 1 . 1 1 32 32 GLY N N 32 110.423 110.423 112.921 -2.498 19085 129 1 1 . 1 1 32 32 GLY CA C 32 44.572 44.572 44.246 0.326 19085 130 1 1 . 1 1 32 32 GLY H H 32 8.551 8.551 8.293 0.258 19085 131 1 1 . 1 1 33 33 LEU N N 33 124.291 124.291 121.738 2.553 19085 132 1 1 . 1 1 33 33 LEU HA H 33 3.949 3.949 4.204 -0.255 19085 133 1 1 . 1 1 33 33 LEU CA C 33 55.823 55.823 55.779 0.045 19085 134 1 1 . 1 1 33 33 LEU CB C 33 43.070 43.070 43.688 -0.618 19085 135 1 1 . 1 1 33 33 LEU H H 33 8.613 8.613 8.110 0.503 19085 136 1 1 . 1 1 34 34 ASP N N 34 126.710 126.710 125.072 1.638 19085 137 1 1 . 1 1 34 34 ASP HA H 34 4.789 4.789 4.731 0.058 19085 138 1 1 . 1 1 34 34 ASP CB C 34 42.065 42.065 43.697 -1.633 19085 139 1 1 . 1 1 34 34 ASP H H 34 9.091 9.091 8.655 0.436 19085 140 1 1 . 1 1 35 35 HIS N N 35 106.163 106.163 118.419 -12.256 19085 141 1 1 . 1 1 35 35 HIS HA H 35 4.822 4.822 4.923 -0.101 19085 142 1 1 . 1 1 35 35 HIS CB C 35 30.351 30.351 32.328 -1.977 19085 143 1 1 . 1 1 35 35 HIS H H 35 7.302 7.302 8.188 -0.886 19085 144 1 1 . 1 1 36 36 GLU N N 36 120.636 120.636 119.968 0.668 19085 145 1 1 . 1 1 36 36 GLU HA H 36 4.209 4.209 4.308 -0.099 19085 146 1 1 . 1 1 36 36 GLU CA C 36 57.734 57.734 55.830 1.904 19085 147 1 1 . 1 1 36 36 GLU CB C 36 29.241 29.241 31.259 -2.018 19085 148 1 1 . 1 1 36 36 GLU H H 36 9.309 9.309 8.712 0.597 19085 149 1 1 . 1 1 37 37 GLY N N 37 115.205 115.205 111.885 3.320 19085 150 1 1 . 1 1 37 37 GLY CA C 37 44.550 44.550 44.457 0.093 19085 151 1 1 . 1 1 37 37 GLY H H 37 8.153 8.153 8.364 -0.211 19085 152 1 1 . 1 1 38 38 GLU N N 38 112.146 112.146 119.803 -7.657 19085 153 1 1 . 1 1 38 38 GLU HA H 38 3.899 3.899 4.164 -0.265 19085 154 1 1 . 1 1 38 38 GLU CA C 38 56.221 56.221 56.708 -0.487 19085 155 1 1 . 1 1 38 38 GLU CB C 38 29.513 29.513 30.708 -1.195 19085 156 1 1 . 1 1 38 38 GLU H H 38 8.099 8.099 8.374 -0.275 19085 157 1 1 . 1 1 39 39 CYS N N 39 119.239 119.239 118.911 0.328 19085 158 1 1 . 1 1 39 39 CYS HA H 39 4.556 4.556 4.731 -0.175 19085 159 1 1 . 1 1 39 39 CYS CB C 39 37.325 37.325 29.915 7.410 19085 160 1 1 . 1 1 39 39 CYS H H 39 8.370 8.370 8.628 -0.258 19085 161 1 2 . 1 1 2 2 ALA N N 2 126.951 126.951 121.753 5.198 19085 162 1 2 . 1 1 2 2 ALA HA H 2 4.301 4.301 4.782 -0.481 19085 163 1 2 . 1 1 2 2 ALA CA C 2 52.406 52.406 51.751 0.655 19085 164 1 2 . 1 1 2 2 ALA CB C 2 19.210 19.210 19.537 -0.327 19085 165 1 2 . 1 1 2 2 ALA H H 2 8.685 8.685 8.207 0.478 19085 166 1 2 . 1 1 3 3 ALA N N 3 124.358 124.358 121.276 3.082 19085 167 1 2 . 1 1 3 3 ALA HA H 3 4.269 4.269 4.128 0.141 19085 168 1 2 . 1 1 3 3 ALA CA C 3 52.178 52.178 54.427 -2.249 19085 169 1 2 . 1 1 3 3 ALA CB C 3 19.345 19.345 19.065 0.280 19085 170 1 2 . 1 1 3 3 ALA H H 3 8.328 8.328 8.587 -0.259 19085 171 1 2 . 1 1 4 4 VAL N N 4 119.842 119.842 109.915 9.927 19085 172 1 2 . 1 1 4 4 VAL HA H 4 3.949 3.949 4.295 -0.346 19085 173 1 2 . 1 1 4 4 VAL CA C 4 62.170 62.170 62.539 -0.370 19085 174 1 2 . 1 1 4 4 VAL CB C 4 32.626 32.626 31.782 0.844 19085 175 1 2 . 1 1 4 4 VAL H H 4 8.107 8.107 7.813 0.294 19085 176 1 2 . 1 1 5 5 CYS N N 5 121.502 121.502 120.862 0.640 19085 177 1 2 . 1 1 5 5 CYS HA H 5 4.633 4.633 4.531 0.102 19085 178 1 2 . 1 1 5 5 CYS CB C 5 35.325 35.325 28.644 6.681 19085 179 1 2 . 1 1 5 5 CYS H H 5 7.666 7.666 7.636 0.030 19085 180 1 2 . 1 1 6 6 THR N N 6 109.529 109.529 114.199 -4.670 19085 181 1 2 . 1 1 6 6 THR HA H 6 4.674 4.674 4.527 0.147 19085 182 1 2 . 1 1 6 6 THR H H 6 8.411 8.411 7.974 0.437 19085 183 1 2 . 1 1 7 7 THR N N 7 112.520 112.520 109.474 3.046 19085 184 1 2 . 1 1 7 7 THR HA H 7 4.729 4.729 4.360 0.369 19085 185 1 2 . 1 1 7 7 THR H H 7 8.362 8.362 8.301 0.061 19085 186 1 2 . 1 1 8 8 GLU N N 8 123.121 123.121 121.876 1.245 19085 187 1 2 . 1 1 8 8 GLU HA H 8 4.138 4.138 4.369 -0.231 19085 188 1 2 . 1 1 8 8 GLU CA C 8 57.299 57.299 55.967 1.333 19085 189 1 2 . 1 1 8 8 GLU CB C 8 29.033 29.033 30.127 -1.094 19085 190 1 2 . 1 1 8 8 GLU H H 8 7.885 7.885 7.900 -0.015 19085 191 1 2 . 1 1 9 9 TRP N N 9 126.973 126.973 128.119 -1.146 19085 192 1 2 . 1 1 9 9 TRP HA H 9 4.938 4.938 4.660 0.278 19085 193 1 2 . 1 1 9 9 TRP CB C 9 29.305 29.305 29.475 -0.170 19085 194 1 2 . 1 1 9 9 TRP H H 9 8.799 8.799 8.604 0.195 19085 195 1 2 . 1 1 10 10 ASP N N 10 126.641 126.641 128.701 -2.060 19085 196 1 2 . 1 1 10 10 ASP HA H 10 4.656 4.656 4.682 -0.026 19085 197 1 2 . 1 1 10 10 ASP CA C 10 50.047 50.047 50.504 -0.457 19085 198 1 2 . 1 1 10 10 ASP CB C 10 38.489 38.489 41.613 -3.124 19085 199 1 2 . 1 1 10 10 ASP H H 10 8.790 8.790 7.715 1.075 19085 200 1 2 . 1 1 11 11 PRO HA H 11 4.054 4.054 4.684 -0.630 19085 201 1 2 . 1 1 11 11 PRO CA C 11 62.749 62.749 62.406 0.343 19085 202 1 2 . 1 1 11 11 PRO CB C 11 33.189 33.189 32.186 1.003 19085 203 1 2 . 1 1 12 12 VAL N N 12 110.024 110.024 114.589 -4.565 19085 204 1 2 . 1 1 12 12 VAL HA H 12 4.447 4.447 4.795 -0.348 19085 205 1 2 . 1 1 12 12 VAL H H 12 8.078 8.078 8.471 -0.393 19085 206 1 2 . 1 1 13 13 CYS N N 13 120.371 120.371 120.699 -0.328 19085 207 1 2 . 1 1 13 13 CYS HA H 13 5.222 5.222 5.574 -0.352 19085 208 1 2 . 1 1 13 13 CYS CA C 13 53.837 53.837 57.114 -3.277 19085 209 1 2 . 1 1 13 13 CYS CB C 13 38.384 38.384 29.901 8.483 19085 210 1 2 . 1 1 13 13 CYS H H 13 8.431 8.431 8.905 -0.474 19085 211 1 2 . 1 1 14 14 GLY N N 14 116.333 116.333 113.821 2.512 19085 212 1 2 . 1 1 14 14 GLY CA C 14 45.741 45.741 44.303 1.438 19085 213 1 2 . 1 1 14 14 GLY H H 14 9.577 9.577 9.201 0.376 19085 214 1 2 . 1 1 15 15 LYS N N 15 122.042 122.042 119.220 2.822 19085 215 1 2 . 1 1 15 15 LYS HA H 15 4.004 4.004 4.055 -0.051 19085 216 1 2 . 1 1 15 15 LYS CA C 15 59.084 59.084 58.630 0.454 19085 217 1 2 . 1 1 15 15 LYS CB C 15 32.259 32.259 32.443 -0.184 19085 218 1 2 . 1 1 15 15 LYS H H 15 8.838 8.838 8.436 0.402 19085 219 1 2 . 1 1 16 16 ASP N N 16 116.512 116.512 117.187 -0.675 19085 220 1 2 . 1 1 16 16 ASP HA H 16 4.405 4.405 4.666 -0.261 19085 221 1 2 . 1 1 16 16 ASP CB C 16 39.824 39.824 40.564 -0.740 19085 222 1 2 . 1 1 16 16 ASP H H 16 8.354 8.354 8.004 0.350 19085 223 1 2 . 1 1 17 17 GLY N N 17 108.685 108.685 107.438 1.247 19085 224 1 2 . 1 1 17 17 GLY CA C 17 45.730 45.730 45.920 -0.190 19085 225 1 2 . 1 1 17 17 GLY H H 17 8.215 8.215 7.847 0.368 19085 226 1 2 . 1 1 18 18 LYS N N 18 121.419 121.419 121.413 0.006 19085 227 1 2 . 1 1 18 18 LYS HA H 18 4.396 4.396 4.329 0.067 19085 228 1 2 . 1 1 18 18 LYS CA C 18 54.813 54.813 55.208 -0.395 19085 229 1 2 . 1 1 18 18 LYS CB C 18 33.625 33.625 32.533 1.092 19085 230 1 2 . 1 1 18 18 LYS H H 18 7.827 7.827 7.999 -0.172 19085 231 1 2 . 1 1 19 19 THR N N 19 121.800 121.800 119.468 2.332 19085 232 1 2 . 1 1 19 19 THR HA H 19 4.843 4.843 4.888 -0.045 19085 233 1 2 . 1 1 19 19 THR CB C 19 69.515 69.515 69.253 0.262 19085 234 1 2 . 1 1 19 19 THR H H 19 8.344 8.344 8.411 -0.067 19085 235 1 2 . 1 1 20 20 TYR N N 20 127.910 127.910 126.189 1.721 19085 236 1 2 . 1 1 20 20 TYR HA H 20 4.508 4.508 4.859 -0.351 19085 237 1 2 . 1 1 20 20 TYR CB C 20 41.681 41.681 40.895 0.786 19085 238 1 2 . 1 1 20 20 TYR H H 20 9.355 9.355 9.214 0.141 19085 239 1 2 . 1 1 21 21 SER N N 21 116.849 116.849 118.483 -1.634 19085 240 1 2 . 1 1 21 21 SER HA H 21 3.804 3.804 4.028 -0.224 19085 241 1 2 . 1 1 21 21 SER CA C 21 61.968 61.968 60.868 1.099 19085 242 1 2 . 1 1 21 21 SER CB C 21 63.517 63.517 63.784 -0.267 19085 243 1 2 . 1 1 21 21 SER H H 21 9.035 9.035 8.984 0.051 19085 244 1 2 . 1 1 22 22 ASN N N 22 105.634 105.634 118.019 -12.385 19085 245 1 2 . 1 1 22 22 ASN HA H 22 4.813 4.813 4.961 -0.148 19085 246 1 2 . 1 1 22 22 ASN CB C 22 40.080 40.080 40.000 0.080 19085 247 1 2 . 1 1 22 22 ASN H H 22 7.344 7.344 7.997 -0.653 19085 248 1 2 . 1 1 23 23 LEU N N 23 118.802 118.802 122.050 -3.248 19085 249 1 2 . 1 1 23 23 LEU HA H 23 3.857 3.857 4.219 -0.362 19085 250 1 2 . 1 1 23 23 LEU CA C 23 57.560 57.560 57.005 0.555 19085 251 1 2 . 1 1 23 23 LEU CB C 23 42.864 42.864 41.907 0.957 19085 252 1 2 . 1 1 23 23 LEU H H 23 8.832 8.832 8.632 0.200 19085 253 1 2 . 1 1 24 24 CYS N N 24 119.567 119.567 119.743 -0.176 19085 254 1 2 . 1 1 24 24 CYS HA H 24 4.139 4.139 3.879 0.260 19085 255 1 2 . 1 1 24 24 CYS CA C 24 60.622 60.622 63.201 -2.579 19085 256 1 2 . 1 1 24 24 CYS CB C 24 35.293 35.293 25.281 10.012 19085 257 1 2 . 1 1 24 24 CYS H H 24 8.180 8.180 7.709 0.471 19085 258 1 2 . 1 1 25 25 TRP N N 25 120.561 120.561 120.388 0.173 19085 259 1 2 . 1 1 25 25 TRP HA H 25 4.340 4.340 4.403 -0.063 19085 260 1 2 . 1 1 25 25 TRP CB C 25 30.325 30.325 29.390 0.935 19085 261 1 2 . 1 1 25 25 TRP H H 25 7.587 7.587 7.093 0.494 19085 262 1 2 . 1 1 26 26 LEU N N 26 122.581 122.581 120.930 1.651 19085 263 1 2 . 1 1 26 26 LEU HA H 26 2.935 2.935 2.982 -0.047 19085 264 1 2 . 1 1 26 26 LEU CA C 26 58.635 58.635 57.370 1.265 19085 265 1 2 . 1 1 26 26 LEU CB C 26 41.365 41.365 41.246 0.119 19085 266 1 2 . 1 1 26 26 LEU H H 26 7.312 7.312 7.487 -0.175 19085 267 1 2 . 1 1 27 27 ASN N N 27 117.645 117.645 117.386 0.259 19085 268 1 2 . 1 1 27 27 ASN HA H 27 4.411 4.411 4.259 0.152 19085 269 1 2 . 1 1 27 27 ASN CB C 27 37.644 37.644 38.782 -1.139 19085 270 1 2 . 1 1 27 27 ASN H H 27 8.444 8.444 8.311 0.133 19085 271 1 2 . 1 1 28 28 GLU N N 28 121.101 121.101 118.515 2.586 19085 272 1 2 . 1 1 28 28 GLU HA H 28 4.017 4.017 4.174 -0.157 19085 273 1 2 . 1 1 28 28 GLU CA C 28 58.804 58.804 58.109 0.695 19085 274 1 2 . 1 1 28 28 GLU CB C 28 28.166 28.166 29.118 -0.952 19085 275 1 2 . 1 1 28 28 GLU H H 28 8.365 8.365 8.055 0.310 19085 276 1 2 . 1 1 29 29 ALA N N 29 120.397 120.397 119.626 0.771 19085 277 1 2 . 1 1 29 29 ALA HA H 29 4.335 4.335 4.356 -0.021 19085 278 1 2 . 1 1 29 29 ALA CA C 29 52.561 52.561 52.215 0.346 19085 279 1 2 . 1 1 29 29 ALA CB C 29 18.678 18.678 18.860 -0.182 19085 280 1 2 . 1 1 29 29 ALA H H 29 7.530 7.530 7.580 -0.050 19085 281 1 2 . 1 1 30 30 GLY N N 30 106.021 106.021 107.764 -1.743 19085 282 1 2 . 1 1 30 30 GLY CA C 30 46.111 46.111 45.418 0.693 19085 283 1 2 . 1 1 30 30 GLY H H 30 7.793 7.793 7.538 0.255 19085 284 1 2 . 1 1 31 31 VAL N N 31 116.550 116.550 121.054 -4.504 19085 285 1 2 . 1 1 31 31 VAL HA H 31 4.066 4.066 4.051 0.015 19085 286 1 2 . 1 1 31 31 VAL CA C 31 60.934 60.934 62.910 -1.976 19085 287 1 2 . 1 1 31 31 VAL H H 31 6.611 6.611 7.177 -0.566 19085 288 1 2 . 1 1 32 32 GLY N N 32 110.423 110.423 113.793 -3.370 19085 289 1 2 . 1 1 32 32 GLY CA C 32 44.572 44.572 44.351 0.221 19085 290 1 2 . 1 1 32 32 GLY H H 32 8.551 8.551 8.321 0.230 19085 291 1 2 . 1 1 33 33 LEU N N 33 124.291 124.291 122.370 1.921 19085 292 1 2 . 1 1 33 33 LEU HA H 33 3.949 3.949 4.162 -0.213 19085 293 1 2 . 1 1 33 33 LEU CA C 33 55.823 55.823 56.082 -0.259 19085 294 1 2 . 1 1 33 33 LEU CB C 33 43.070 43.070 43.315 -0.245 19085 295 1 2 . 1 1 33 33 LEU H H 33 8.613 8.613 8.275 0.338 19085 296 1 2 . 1 1 34 34 ASP N N 34 126.710 126.710 124.858 1.852 19085 297 1 2 . 1 1 34 34 ASP HA H 34 4.789 4.789 4.690 0.099 19085 298 1 2 . 1 1 34 34 ASP CB C 34 42.065 42.065 42.996 -0.931 19085 299 1 2 . 1 1 34 34 ASP H H 34 9.091 9.091 8.553 0.538 19085 300 1 2 . 1 1 35 35 HIS N N 35 106.163 106.163 118.680 -12.517 19085 301 1 2 . 1 1 35 35 HIS HA H 35 4.822 4.822 4.928 -0.106 19085 302 1 2 . 1 1 35 35 HIS CB C 35 30.351 30.351 32.141 -1.790 19085 303 1 2 . 1 1 35 35 HIS H H 35 7.302 7.302 8.333 -1.031 19085 304 1 2 . 1 1 36 36 GLU N N 36 120.636 120.636 120.674 -0.038 19085 305 1 2 . 1 1 36 36 GLU HA H 36 4.209 4.209 4.233 -0.024 19085 306 1 2 . 1 1 36 36 GLU CA C 36 57.734 57.734 55.939 1.795 19085 307 1 2 . 1 1 36 36 GLU CB C 36 29.241 29.241 31.425 -2.184 19085 308 1 2 . 1 1 36 36 GLU H H 36 9.309 9.309 8.747 0.562 19085 309 1 2 . 1 1 37 37 GLY N N 37 115.205 115.205 111.681 3.524 19085 310 1 2 . 1 1 37 37 GLY CA C 37 44.550 44.550 44.372 0.178 19085 311 1 2 . 1 1 37 37 GLY H H 37 8.153 8.153 8.206 -0.053 19085 312 1 2 . 1 1 38 38 GLU N N 38 112.146 112.146 119.772 -7.626 19085 313 1 2 . 1 1 38 38 GLU HA H 38 3.899 3.899 4.208 -0.309 19085 314 1 2 . 1 1 38 38 GLU CA C 38 56.221 56.221 56.851 -0.630 19085 315 1 2 . 1 1 38 38 GLU CB C 38 29.513 29.513 30.413 -0.900 19085 316 1 2 . 1 1 38 38 GLU H H 38 8.099 8.099 8.377 -0.278 19085 317 1 2 . 1 1 39 39 CYS N N 39 119.239 119.239 120.952 -1.713 19085 318 1 2 . 1 1 39 39 CYS HA H 39 4.556 4.556 4.873 -0.317 19085 319 1 2 . 1 1 39 39 CYS CB C 39 37.325 37.325 29.476 7.849 19085 320 1 2 . 1 1 39 39 CYS H H 39 8.370 8.370 8.567 -0.197 19085 321 1 3 . 1 1 2 2 ALA N N 2 126.951 126.951 125.379 1.572 19085 322 1 3 . 1 1 2 2 ALA HA H 2 4.301 4.301 4.428 -0.127 19085 323 1 3 . 1 1 2 2 ALA CA C 2 52.406 52.406 51.786 0.620 19085 324 1 3 . 1 1 2 2 ALA CB C 2 19.210 19.210 19.579 -0.369 19085 325 1 3 . 1 1 2 2 ALA H H 2 8.685 8.685 8.308 0.377 19085 326 1 3 . 1 1 3 3 ALA N N 3 124.358 124.358 122.066 2.292 19085 327 1 3 . 1 1 3 3 ALA HA H 3 4.269 4.269 4.294 -0.025 19085 328 1 3 . 1 1 3 3 ALA CA C 3 52.178 52.178 52.071 0.107 19085 329 1 3 . 1 1 3 3 ALA CB C 3 19.345 19.345 19.244 0.101 19085 330 1 3 . 1 1 3 3 ALA H H 3 8.328 8.328 8.218 0.110 19085 331 1 3 . 1 1 4 4 VAL N N 4 119.842 119.842 117.474 2.368 19085 332 1 3 . 1 1 4 4 VAL HA H 4 3.949 3.949 4.285 -0.337 19085 333 1 3 . 1 1 4 4 VAL CA C 4 62.170 62.170 61.801 0.369 19085 334 1 3 . 1 1 4 4 VAL CB C 4 32.626 32.626 32.256 0.370 19085 335 1 3 . 1 1 4 4 VAL H H 4 8.107 8.107 8.100 0.008 19085 336 1 3 . 1 1 5 5 CYS N N 5 121.502 121.502 122.349 -0.847 19085 337 1 3 . 1 1 5 5 CYS HA H 5 4.633 4.633 4.555 0.078 19085 338 1 3 . 1 1 5 5 CYS CB C 5 35.325 35.325 27.641 7.684 19085 339 1 3 . 1 1 5 5 CYS H H 5 7.666 7.666 7.937 -0.271 19085 340 1 3 . 1 1 6 6 THR N N 6 109.529 109.529 118.114 -8.585 19085 341 1 3 . 1 1 6 6 THR HA H 6 4.674 4.674 4.598 0.076 19085 342 1 3 . 1 1 6 6 THR H H 6 8.411 8.411 8.132 0.279 19085 343 1 3 . 1 1 7 7 THR N N 7 112.520 112.520 109.514 3.006 19085 344 1 3 . 1 1 7 7 THR HA H 7 4.729 4.729 4.370 0.359 19085 345 1 3 . 1 1 7 7 THR H H 7 8.362 8.362 8.232 0.130 19085 346 1 3 . 1 1 8 8 GLU N N 8 123.121 123.121 121.247 1.874 19085 347 1 3 . 1 1 8 8 GLU HA H 8 4.138 4.138 4.324 -0.186 19085 348 1 3 . 1 1 8 8 GLU CA C 8 57.299 57.299 56.017 1.282 19085 349 1 3 . 1 1 8 8 GLU CB C 8 29.033 29.033 30.239 -1.206 19085 350 1 3 . 1 1 8 8 GLU H H 8 7.885 7.885 7.903 -0.018 19085 351 1 3 . 1 1 9 9 TRP N N 9 126.973 126.973 127.618 -0.645 19085 352 1 3 . 1 1 9 9 TRP HA H 9 4.938 4.938 4.450 0.488 19085 353 1 3 . 1 1 9 9 TRP CB C 9 29.305 29.305 29.387 -0.082 19085 354 1 3 . 1 1 9 9 TRP H H 9 8.799 8.799 8.578 0.221 19085 355 1 3 . 1 1 10 10 ASP N N 10 126.641 126.641 128.799 -2.158 19085 356 1 3 . 1 1 10 10 ASP HA H 10 4.656 4.656 4.722 -0.066 19085 357 1 3 . 1 1 10 10 ASP CA C 10 50.047 50.047 50.657 -0.611 19085 358 1 3 . 1 1 10 10 ASP CB C 10 38.489 38.489 41.930 -3.441 19085 359 1 3 . 1 1 10 10 ASP H H 10 8.790 8.790 7.951 0.839 19085 360 1 3 . 1 1 11 11 PRO HA H 11 4.054 4.054 4.820 -0.766 19085 361 1 3 . 1 1 11 11 PRO CA C 11 62.749 62.749 62.133 0.616 19085 362 1 3 . 1 1 11 11 PRO CB C 11 33.189 33.189 31.765 1.424 19085 363 1 3 . 1 1 12 12 VAL N N 12 110.024 110.024 116.772 -6.748 19085 364 1 3 . 1 1 12 12 VAL HA H 12 4.447 4.447 4.713 -0.266 19085 365 1 3 . 1 1 12 12 VAL H H 12 8.078 8.078 8.275 -0.197 19085 366 1 3 . 1 1 13 13 CYS N N 13 120.371 120.371 121.544 -1.173 19085 367 1 3 . 1 1 13 13 CYS HA H 13 5.222 5.222 5.512 -0.290 19085 368 1 3 . 1 1 13 13 CYS CA C 13 53.837 53.837 56.640 -2.803 19085 369 1 3 . 1 1 13 13 CYS CB C 13 38.384 38.384 29.253 9.131 19085 370 1 3 . 1 1 13 13 CYS H H 13 8.431 8.431 8.862 -0.431 19085 371 1 3 . 1 1 14 14 GLY N N 14 116.333 116.333 114.169 2.164 19085 372 1 3 . 1 1 14 14 GLY CA C 14 45.741 45.741 44.315 1.426 19085 373 1 3 . 1 1 14 14 GLY H H 14 9.577 9.577 9.447 0.130 19085 374 1 3 . 1 1 15 15 LYS N N 15 122.042 122.042 120.177 1.865 19085 375 1 3 . 1 1 15 15 LYS HA H 15 4.004 4.004 4.099 -0.095 19085 376 1 3 . 1 1 15 15 LYS CA C 15 59.084 59.084 58.697 0.387 19085 377 1 3 . 1 1 15 15 LYS CB C 15 32.259 32.259 32.398 -0.139 19085 378 1 3 . 1 1 15 15 LYS H H 15 8.838 8.838 8.486 0.352 19085 379 1 3 . 1 1 16 16 ASP N N 16 116.512 116.512 117.800 -1.288 19085 380 1 3 . 1 1 16 16 ASP HA H 16 4.405 4.405 4.649 -0.244 19085 381 1 3 . 1 1 16 16 ASP CB C 16 39.824 39.824 40.722 -0.898 19085 382 1 3 . 1 1 16 16 ASP H H 16 8.354 8.354 8.009 0.345 19085 383 1 3 . 1 1 17 17 GLY N N 17 108.685 108.685 107.163 1.522 19085 384 1 3 . 1 1 17 17 GLY CA C 17 45.730 45.730 45.756 -0.026 19085 385 1 3 . 1 1 17 17 GLY H H 17 8.215 8.215 7.945 0.270 19085 386 1 3 . 1 1 18 18 LYS N N 18 121.419 121.419 120.054 1.365 19085 387 1 3 . 1 1 18 18 LYS HA H 18 4.396 4.396 4.546 -0.150 19085 388 1 3 . 1 1 18 18 LYS CA C 18 54.813 54.813 53.998 0.815 19085 389 1 3 . 1 1 18 18 LYS CB C 18 33.625 33.625 33.618 0.007 19085 390 1 3 . 1 1 18 18 LYS H H 18 7.827 7.827 7.669 0.158 19085 391 1 3 . 1 1 19 19 THR N N 19 121.800 121.800 119.352 2.448 19085 392 1 3 . 1 1 19 19 THR HA H 19 4.843 4.843 4.887 -0.044 19085 393 1 3 . 1 1 19 19 THR CB C 19 69.515 69.515 69.219 0.296 19085 394 1 3 . 1 1 19 19 THR H H 19 8.344 8.344 8.500 -0.156 19085 395 1 3 . 1 1 20 20 TYR N N 20 127.910 127.910 127.205 0.705 19085 396 1 3 . 1 1 20 20 TYR HA H 20 4.508 4.508 4.810 -0.302 19085 397 1 3 . 1 1 20 20 TYR CB C 20 41.681 41.681 40.805 0.876 19085 398 1 3 . 1 1 20 20 TYR H H 20 9.355 9.355 9.207 0.148 19085 399 1 3 . 1 1 21 21 SER N N 21 116.849 116.849 117.834 -0.985 19085 400 1 3 . 1 1 21 21 SER HA H 21 3.804 3.804 4.073 -0.269 19085 401 1 3 . 1 1 21 21 SER CA C 21 61.968 61.968 61.668 0.300 19085 402 1 3 . 1 1 21 21 SER CB C 21 63.517 63.517 63.571 -0.054 19085 403 1 3 . 1 1 21 21 SER H H 21 9.035 9.035 8.948 0.087 19085 404 1 3 . 1 1 22 22 ASN N N 22 105.634 105.634 115.620 -9.986 19085 405 1 3 . 1 1 22 22 ASN HA H 22 4.813 4.813 4.876 -0.063 19085 406 1 3 . 1 1 22 22 ASN CB C 22 40.080 40.080 39.214 0.866 19085 407 1 3 . 1 1 22 22 ASN H H 22 7.344 7.344 8.078 -0.734 19085 408 1 3 . 1 1 23 23 LEU N N 23 118.802 118.802 120.284 -1.482 19085 409 1 3 . 1 1 23 23 LEU HA H 23 3.857 3.857 4.149 -0.292 19085 410 1 3 . 1 1 23 23 LEU CA C 23 57.560 57.560 57.485 0.075 19085 411 1 3 . 1 1 23 23 LEU CB C 23 42.864 42.864 41.970 0.894 19085 412 1 3 . 1 1 23 23 LEU H H 23 8.832 8.832 8.393 0.439 19085 413 1 3 . 1 1 24 24 CYS N N 24 119.567 119.567 117.703 1.864 19085 414 1 3 . 1 1 24 24 CYS HA H 24 4.139 4.139 4.031 0.108 19085 415 1 3 . 1 1 24 24 CYS CA C 24 60.622 60.622 62.740 -2.118 19085 416 1 3 . 1 1 24 24 CYS CB C 24 35.293 35.293 25.345 9.948 19085 417 1 3 . 1 1 24 24 CYS H H 24 8.180 8.180 8.199 -0.019 19085 418 1 3 . 1 1 25 25 TRP N N 25 120.561 120.561 120.537 0.024 19085 419 1 3 . 1 1 25 25 TRP HA H 25 4.340 4.340 4.374 -0.034 19085 420 1 3 . 1 1 25 25 TRP CB C 25 30.325 30.325 29.422 0.902 19085 421 1 3 . 1 1 25 25 TRP H H 25 7.587 7.587 8.656 -1.069 19085 422 1 3 . 1 1 26 26 LEU N N 26 122.581 122.581 121.075 1.506 19085 423 1 3 . 1 1 26 26 LEU HA H 26 2.935 2.935 2.786 0.149 19085 424 1 3 . 1 1 26 26 LEU CA C 26 58.635 58.635 57.190 1.445 19085 425 1 3 . 1 1 26 26 LEU CB C 26 41.365 41.365 41.052 0.313 19085 426 1 3 . 1 1 26 26 LEU H H 26 7.312 7.312 7.454 -0.142 19085 427 1 3 . 1 1 27 27 ASN N N 27 117.645 117.645 117.347 0.298 19085 428 1 3 . 1 1 27 27 ASN HA H 27 4.411 4.411 4.323 0.088 19085 429 1 3 . 1 1 27 27 ASN CB C 27 37.644 37.644 38.720 -1.076 19085 430 1 3 . 1 1 27 27 ASN H H 27 8.444 8.444 8.194 0.250 19085 431 1 3 . 1 1 28 28 GLU N N 28 121.101 121.101 120.550 0.551 19085 432 1 3 . 1 1 28 28 GLU HA H 28 4.017 4.017 4.106 -0.089 19085 433 1 3 . 1 1 28 28 GLU CA C 28 58.804 58.804 58.711 0.093 19085 434 1 3 . 1 1 28 28 GLU CB C 28 28.166 28.166 29.250 -1.084 19085 435 1 3 . 1 1 28 28 GLU H H 28 8.365 8.365 8.382 -0.017 19085 436 1 3 . 1 1 29 29 ALA N N 29 120.397 120.397 119.136 1.261 19085 437 1 3 . 1 1 29 29 ALA HA H 29 4.335 4.335 4.391 -0.056 19085 438 1 3 . 1 1 29 29 ALA CA C 29 52.561 52.561 52.241 0.320 19085 439 1 3 . 1 1 29 29 ALA CB C 29 18.678 18.678 19.205 -0.527 19085 440 1 3 . 1 1 29 29 ALA H H 29 7.530 7.530 7.763 -0.233 19085 441 1 3 . 1 1 30 30 GLY N N 30 106.021 106.021 106.620 -0.599 19085 442 1 3 . 1 1 30 30 GLY CA C 30 46.111 46.111 45.438 0.673 19085 443 1 3 . 1 1 30 30 GLY H H 30 7.793 7.793 7.720 0.073 19085 444 1 3 . 1 1 31 31 VAL N N 31 116.550 116.550 120.121 -3.571 19085 445 1 3 . 1 1 31 31 VAL HA H 31 4.066 4.066 4.169 -0.103 19085 446 1 3 . 1 1 31 31 VAL CA C 31 60.934 60.934 62.102 -1.168 19085 447 1 3 . 1 1 31 31 VAL H H 31 6.611 6.611 7.167 -0.556 19085 448 1 3 . 1 1 32 32 GLY N N 32 110.423 110.423 112.389 -1.966 19085 449 1 3 . 1 1 32 32 GLY CA C 32 44.572 44.572 44.096 0.475 19085 450 1 3 . 1 1 32 32 GLY H H 32 8.551 8.551 8.254 0.297 19085 451 1 3 . 1 1 33 33 LEU N N 33 124.291 124.291 121.966 2.325 19085 452 1 3 . 1 1 33 33 LEU HA H 33 3.949 3.949 4.214 -0.265 19085 453 1 3 . 1 1 33 33 LEU CA C 33 55.823 55.823 55.479 0.344 19085 454 1 3 . 1 1 33 33 LEU CB C 33 43.070 43.070 43.738 -0.668 19085 455 1 3 . 1 1 33 33 LEU H H 33 8.613 8.613 8.171 0.442 19085 456 1 3 . 1 1 34 34 ASP N N 34 126.710 126.710 123.877 2.833 19085 457 1 3 . 1 1 34 34 ASP HA H 34 4.789 4.789 4.612 0.177 19085 458 1 3 . 1 1 34 34 ASP CB C 34 42.065 42.065 43.129 -1.063 19085 459 1 3 . 1 1 34 34 ASP H H 34 9.091 9.091 8.813 0.278 19085 460 1 3 . 1 1 35 35 HIS N N 35 106.163 106.163 118.207 -12.044 19085 461 1 3 . 1 1 35 35 HIS HA H 35 4.822 4.822 4.912 -0.090 19085 462 1 3 . 1 1 35 35 HIS CB C 35 30.351 30.351 32.149 -1.798 19085 463 1 3 . 1 1 35 35 HIS H H 35 7.302 7.302 7.934 -0.632 19085 464 1 3 . 1 1 36 36 GLU N N 36 120.636 120.636 120.591 0.045 19085 465 1 3 . 1 1 36 36 GLU HA H 36 4.209 4.209 4.213 -0.004 19085 466 1 3 . 1 1 36 36 GLU CA C 36 57.734 57.734 56.099 1.635 19085 467 1 3 . 1 1 36 36 GLU CB C 36 29.241 29.241 31.220 -1.979 19085 468 1 3 . 1 1 36 36 GLU H H 36 9.309 9.309 8.752 0.557 19085 469 1 3 . 1 1 37 37 GLY N N 37 115.205 115.205 111.451 3.754 19085 470 1 3 . 1 1 37 37 GLY CA C 37 44.550 44.550 44.349 0.201 19085 471 1 3 . 1 1 37 37 GLY H H 37 8.153 8.153 8.154 -0.001 19085 472 1 3 . 1 1 38 38 GLU N N 38 112.146 112.146 119.469 -7.323 19085 473 1 3 . 1 1 38 38 GLU HA H 38 3.899 3.899 4.278 -0.379 19085 474 1 3 . 1 1 38 38 GLU CA C 38 56.221 56.221 55.603 0.618 19085 475 1 3 . 1 1 38 38 GLU CB C 38 29.513 29.513 30.638 -1.125 19085 476 1 3 . 1 1 38 38 GLU H H 38 8.099 8.099 8.385 -0.286 19085 477 1 3 . 1 1 39 39 CYS N N 39 119.239 119.239 117.554 1.685 19085 478 1 3 . 1 1 39 39 CYS HA H 39 4.556 4.556 5.060 -0.504 19085 479 1 3 . 1 1 39 39 CYS CB C 39 37.325 37.325 30.215 7.110 19085 480 1 3 . 1 1 39 39 CYS H H 39 8.370 8.370 9.006 -0.636 19085 481 1 4 . 1 1 2 2 ALA N N 2 126.951 126.951 123.436 3.515 19085 482 1 4 . 1 1 2 2 ALA HA H 2 4.301 4.301 4.166 0.135 19085 483 1 4 . 1 1 2 2 ALA CA C 2 52.406 52.406 53.526 -1.120 19085 484 1 4 . 1 1 2 2 ALA CB C 2 19.210 19.210 18.930 0.279 19085 485 1 4 . 1 1 2 2 ALA H H 2 8.685 8.685 8.349 0.336 19085 486 1 4 . 1 1 3 3 ALA N N 3 124.358 124.358 120.195 4.163 19085 487 1 4 . 1 1 3 3 ALA HA H 3 4.269 4.269 4.283 -0.014 19085 488 1 4 . 1 1 3 3 ALA CA C 3 52.178 52.178 51.772 0.407 19085 489 1 4 . 1 1 3 3 ALA CB C 3 19.345 19.345 19.044 0.301 19085 490 1 4 . 1 1 3 3 ALA H H 3 8.328 8.328 7.642 0.686 19085 491 1 4 . 1 1 4 4 VAL N N 4 119.842 119.842 116.734 3.108 19085 492 1 4 . 1 1 4 4 VAL HA H 4 3.949 3.949 4.273 -0.324 19085 493 1 4 . 1 1 4 4 VAL CA C 4 62.170 62.170 62.224 -0.054 19085 494 1 4 . 1 1 4 4 VAL CB C 4 32.626 32.626 32.978 -0.352 19085 495 1 4 . 1 1 4 4 VAL H H 4 8.107 8.107 8.568 -0.461 19085 496 1 4 . 1 1 5 5 CYS N N 5 121.502 121.502 120.132 1.370 19085 497 1 4 . 1 1 5 5 CYS HA H 5 4.633 4.633 4.722 -0.089 19085 498 1 4 . 1 1 5 5 CYS CB C 5 35.325 35.325 28.327 6.998 19085 499 1 4 . 1 1 5 5 CYS H H 5 7.666 7.666 7.776 -0.110 19085 500 1 4 . 1 1 6 6 THR N N 6 109.529 109.529 116.920 -7.391 19085 501 1 4 . 1 1 6 6 THR HA H 6 4.674 4.674 4.551 0.123 19085 502 1 4 . 1 1 6 6 THR H H 6 8.411 8.411 8.231 0.180 19085 503 1 4 . 1 1 7 7 THR N N 7 112.520 112.520 109.516 3.004 19085 504 1 4 . 1 1 7 7 THR HA H 7 4.729 4.729 4.294 0.435 19085 505 1 4 . 1 1 7 7 THR H H 7 8.362 8.362 8.303 0.059 19085 506 1 4 . 1 1 8 8 GLU N N 8 123.121 123.121 121.674 1.447 19085 507 1 4 . 1 1 8 8 GLU HA H 8 4.138 4.138 4.363 -0.225 19085 508 1 4 . 1 1 8 8 GLU CA C 8 57.299 57.299 55.997 1.302 19085 509 1 4 . 1 1 8 8 GLU CB C 8 29.033 29.033 29.995 -0.962 19085 510 1 4 . 1 1 8 8 GLU H H 8 7.885 7.885 7.732 0.153 19085 511 1 4 . 1 1 9 9 TRP N N 9 126.973 126.973 129.179 -2.206 19085 512 1 4 . 1 1 9 9 TRP HA H 9 4.938 4.938 4.794 0.144 19085 513 1 4 . 1 1 9 9 TRP CB C 9 29.305 29.305 29.223 0.082 19085 514 1 4 . 1 1 9 9 TRP H H 9 8.799 8.799 8.678 0.121 19085 515 1 4 . 1 1 10 10 ASP N N 10 126.641 126.641 127.918 -1.277 19085 516 1 4 . 1 1 10 10 ASP HA H 10 4.656 4.656 4.789 -0.133 19085 517 1 4 . 1 1 10 10 ASP CA C 10 50.047 50.047 50.123 -0.076 19085 518 1 4 . 1 1 10 10 ASP CB C 10 38.489 38.489 42.654 -4.165 19085 519 1 4 . 1 1 10 10 ASP H H 10 8.790 8.790 7.893 0.897 19085 520 1 4 . 1 1 11 11 PRO HA H 11 4.054 4.054 4.644 -0.590 19085 521 1 4 . 1 1 11 11 PRO CA C 11 62.749 62.749 62.500 0.249 19085 522 1 4 . 1 1 11 11 PRO CB C 11 33.189 33.189 32.145 1.044 19085 523 1 4 . 1 1 12 12 VAL N N 12 110.024 110.024 116.019 -5.995 19085 524 1 4 . 1 1 12 12 VAL HA H 12 4.447 4.447 4.738 -0.291 19085 525 1 4 . 1 1 12 12 VAL H H 12 8.078 8.078 8.443 -0.365 19085 526 1 4 . 1 1 13 13 CYS N N 13 120.371 120.371 120.600 -0.229 19085 527 1 4 . 1 1 13 13 CYS HA H 13 5.222 5.222 5.365 -0.143 19085 528 1 4 . 1 1 13 13 CYS CA C 13 53.837 53.837 56.829 -2.992 19085 529 1 4 . 1 1 13 13 CYS CB C 13 38.384 38.384 29.477 8.908 19085 530 1 4 . 1 1 13 13 CYS H H 13 8.431 8.431 8.849 -0.418 19085 531 1 4 . 1 1 14 14 GLY N N 14 116.333 116.333 114.270 2.063 19085 532 1 4 . 1 1 14 14 GLY CA C 14 45.741 45.741 44.224 1.517 19085 533 1 4 . 1 1 14 14 GLY H H 14 9.577 9.577 9.387 0.190 19085 534 1 4 . 1 1 15 15 LYS N N 15 122.042 122.042 121.417 0.625 19085 535 1 4 . 1 1 15 15 LYS HA H 15 4.004 4.004 4.040 -0.036 19085 536 1 4 . 1 1 15 15 LYS CA C 15 59.084 59.084 58.834 0.250 19085 537 1 4 . 1 1 15 15 LYS CB C 15 32.259 32.259 32.445 -0.186 19085 538 1 4 . 1 1 15 15 LYS H H 15 8.838 8.838 8.703 0.135 19085 539 1 4 . 1 1 16 16 ASP N N 16 116.512 116.512 117.259 -0.747 19085 540 1 4 . 1 1 16 16 ASP HA H 16 4.405 4.405 4.708 -0.303 19085 541 1 4 . 1 1 16 16 ASP CB C 16 39.824 39.824 40.186 -0.362 19085 542 1 4 . 1 1 16 16 ASP H H 16 8.354 8.354 8.067 0.287 19085 543 1 4 . 1 1 17 17 GLY N N 17 108.685 108.685 107.417 1.268 19085 544 1 4 . 1 1 17 17 GLY CA C 17 45.730 45.730 45.532 0.198 19085 545 1 4 . 1 1 17 17 GLY H H 17 8.215 8.215 8.103 0.112 19085 546 1 4 . 1 1 18 18 LYS N N 18 121.419 121.419 120.525 0.894 19085 547 1 4 . 1 1 18 18 LYS HA H 18 4.396 4.396 4.637 -0.241 19085 548 1 4 . 1 1 18 18 LYS CA C 18 54.813 54.813 53.856 0.957 19085 549 1 4 . 1 1 18 18 LYS CB C 18 33.625 33.625 34.421 -0.796 19085 550 1 4 . 1 1 18 18 LYS H H 18 7.827 7.827 7.541 0.286 19085 551 1 4 . 1 1 19 19 THR N N 19 121.800 121.800 119.450 2.350 19085 552 1 4 . 1 1 19 19 THR HA H 19 4.843 4.843 4.839 0.004 19085 553 1 4 . 1 1 19 19 THR CB C 19 69.515 69.515 69.175 0.340 19085 554 1 4 . 1 1 19 19 THR H H 19 8.344 8.344 8.484 -0.140 19085 555 1 4 . 1 1 20 20 TYR N N 20 127.910 127.910 126.240 1.670 19085 556 1 4 . 1 1 20 20 TYR HA H 20 4.508 4.508 4.831 -0.323 19085 557 1 4 . 1 1 20 20 TYR CB C 20 41.681 41.681 40.927 0.754 19085 558 1 4 . 1 1 20 20 TYR H H 20 9.355 9.355 9.181 0.174 19085 559 1 4 . 1 1 21 21 SER N N 21 116.849 116.849 118.021 -1.172 19085 560 1 4 . 1 1 21 21 SER HA H 21 3.804 3.804 4.037 -0.233 19085 561 1 4 . 1 1 21 21 SER CA C 21 61.968 61.968 60.855 1.113 19085 562 1 4 . 1 1 21 21 SER CB C 21 63.517 63.517 63.536 -0.020 19085 563 1 4 . 1 1 21 21 SER H H 21 9.035 9.035 8.892 0.143 19085 564 1 4 . 1 1 22 22 ASN N N 22 105.634 105.634 118.247 -12.613 19085 565 1 4 . 1 1 22 22 ASN HA H 22 4.813 4.813 4.988 -0.175 19085 566 1 4 . 1 1 22 22 ASN CB C 22 40.080 40.080 40.069 0.011 19085 567 1 4 . 1 1 22 22 ASN H H 22 7.344 7.344 8.137 -0.793 19085 568 1 4 . 1 1 23 23 LEU N N 23 118.802 118.802 122.160 -3.358 19085 569 1 4 . 1 1 23 23 LEU HA H 23 3.857 3.857 4.240 -0.383 19085 570 1 4 . 1 1 23 23 LEU CA C 23 57.560 57.560 56.922 0.638 19085 571 1 4 . 1 1 23 23 LEU CB C 23 42.864 42.864 41.842 1.022 19085 572 1 4 . 1 1 23 23 LEU H H 23 8.832 8.832 8.319 0.513 19085 573 1 4 . 1 1 24 24 CYS N N 24 119.567 119.567 119.518 0.049 19085 574 1 4 . 1 1 24 24 CYS HA H 24 4.139 4.139 4.161 -0.022 19085 575 1 4 . 1 1 24 24 CYS CA C 24 60.622 60.622 63.055 -2.433 19085 576 1 4 . 1 1 24 24 CYS CB C 24 35.293 35.293 25.289 10.004 19085 577 1 4 . 1 1 24 24 CYS H H 24 8.180 8.180 7.729 0.451 19085 578 1 4 . 1 1 25 25 TRP N N 25 120.561 120.561 119.892 0.669 19085 579 1 4 . 1 1 25 25 TRP HA H 25 4.340 4.340 4.417 -0.077 19085 580 1 4 . 1 1 25 25 TRP CB C 25 30.325 30.325 29.416 0.909 19085 581 1 4 . 1 1 25 25 TRP H H 25 7.587 7.587 7.221 0.366 19085 582 1 4 . 1 1 26 26 LEU N N 26 122.581 122.581 121.256 1.325 19085 583 1 4 . 1 1 26 26 LEU HA H 26 2.935 2.935 2.929 0.006 19085 584 1 4 . 1 1 26 26 LEU CA C 26 58.635 58.635 57.359 1.276 19085 585 1 4 . 1 1 26 26 LEU CB C 26 41.365 41.365 41.119 0.246 19085 586 1 4 . 1 1 26 26 LEU H H 26 7.312 7.312 7.362 -0.050 19085 587 1 4 . 1 1 27 27 ASN N N 27 117.645 117.645 117.441 0.204 19085 588 1 4 . 1 1 27 27 ASN HA H 27 4.411 4.411 4.417 -0.006 19085 589 1 4 . 1 1 27 27 ASN CB C 27 37.644 37.644 37.982 -0.338 19085 590 1 4 . 1 1 27 27 ASN H H 27 8.444 8.444 8.257 0.187 19085 591 1 4 . 1 1 28 28 GLU N N 28 121.101 121.101 120.275 0.826 19085 592 1 4 . 1 1 28 28 GLU HA H 28 4.017 4.017 4.166 -0.149 19085 593 1 4 . 1 1 28 28 GLU CA C 28 58.804 58.804 58.569 0.235 19085 594 1 4 . 1 1 28 28 GLU CB C 28 28.166 28.166 28.973 -0.807 19085 595 1 4 . 1 1 28 28 GLU H H 28 8.365 8.365 8.389 -0.024 19085 596 1 4 . 1 1 29 29 ALA N N 29 120.397 120.397 119.471 0.926 19085 597 1 4 . 1 1 29 29 ALA HA H 29 4.335 4.335 4.376 -0.041 19085 598 1 4 . 1 1 29 29 ALA CA C 29 52.561 52.561 52.112 0.449 19085 599 1 4 . 1 1 29 29 ALA CB C 29 18.678 18.678 19.081 -0.403 19085 600 1 4 . 1 1 29 29 ALA H H 29 7.530 7.530 7.576 -0.046 19085 601 1 4 . 1 1 30 30 GLY N N 30 106.021 106.021 107.027 -1.006 19085 602 1 4 . 1 1 30 30 GLY CA C 30 46.111 46.111 45.289 0.822 19085 603 1 4 . 1 1 30 30 GLY H H 30 7.793 7.793 7.628 0.165 19085 604 1 4 . 1 1 31 31 VAL N N 31 116.550 116.550 119.534 -2.984 19085 605 1 4 . 1 1 31 31 VAL HA H 31 4.066 4.066 4.188 -0.122 19085 606 1 4 . 1 1 31 31 VAL CA C 31 60.934 60.934 61.417 -0.483 19085 607 1 4 . 1 1 31 31 VAL H H 31 6.611 6.611 7.198 -0.587 19085 608 1 4 . 1 1 32 32 GLY N N 32 110.423 110.423 112.423 -2.000 19085 609 1 4 . 1 1 32 32 GLY CA C 32 44.572 44.572 44.162 0.410 19085 610 1 4 . 1 1 32 32 GLY H H 32 8.551 8.551 8.327 0.224 19085 611 1 4 . 1 1 33 33 LEU N N 33 124.291 124.291 122.501 1.790 19085 612 1 4 . 1 1 33 33 LEU HA H 33 3.949 3.949 4.200 -0.251 19085 613 1 4 . 1 1 33 33 LEU CA C 33 55.823 55.823 55.524 0.299 19085 614 1 4 . 1 1 33 33 LEU CB C 33 43.070 43.070 43.773 -0.703 19085 615 1 4 . 1 1 33 33 LEU H H 33 8.613 8.613 8.185 0.428 19085 616 1 4 . 1 1 34 34 ASP N N 34 126.710 126.710 123.578 3.132 19085 617 1 4 . 1 1 34 34 ASP HA H 34 4.789 4.789 4.729 0.060 19085 618 1 4 . 1 1 34 34 ASP CB C 34 42.065 42.065 43.501 -1.436 19085 619 1 4 . 1 1 34 34 ASP H H 34 9.091 9.091 8.832 0.259 19085 620 1 4 . 1 1 35 35 HIS N N 35 106.163 106.163 118.245 -12.082 19085 621 1 4 . 1 1 35 35 HIS HA H 35 4.822 4.822 4.866 -0.044 19085 622 1 4 . 1 1 35 35 HIS CB C 35 30.351 30.351 32.604 -2.253 19085 623 1 4 . 1 1 35 35 HIS H H 35 7.302 7.302 7.911 -0.609 19085 624 1 4 . 1 1 36 36 GLU N N 36 120.636 120.636 120.972 -0.336 19085 625 1 4 . 1 1 36 36 GLU HA H 36 4.209 4.209 4.156 0.053 19085 626 1 4 . 1 1 36 36 GLU CA C 36 57.734 57.734 56.199 1.535 19085 627 1 4 . 1 1 36 36 GLU CB C 36 29.241 29.241 31.064 -1.823 19085 628 1 4 . 1 1 36 36 GLU H H 36 9.309 9.309 8.734 0.575 19085 629 1 4 . 1 1 37 37 GLY N N 37 115.205 115.205 111.690 3.515 19085 630 1 4 . 1 1 37 37 GLY CA C 37 44.550 44.550 44.357 0.193 19085 631 1 4 . 1 1 37 37 GLY H H 37 8.153 8.153 8.302 -0.149 19085 632 1 4 . 1 1 38 38 GLU N N 38 112.146 112.146 119.522 -7.376 19085 633 1 4 . 1 1 38 38 GLU HA H 38 3.899 3.899 4.196 -0.297 19085 634 1 4 . 1 1 38 38 GLU CA C 38 56.221 56.221 57.156 -0.935 19085 635 1 4 . 1 1 38 38 GLU CB C 38 29.513 29.513 30.591 -1.079 19085 636 1 4 . 1 1 38 38 GLU H H 38 8.099 8.099 8.471 -0.372 19085 637 1 4 . 1 1 39 39 CYS N N 39 119.239 119.239 119.705 -0.466 19085 638 1 4 . 1 1 39 39 CYS HA H 39 4.556 4.556 4.948 -0.392 19085 639 1 4 . 1 1 39 39 CYS CB C 39 37.325 37.325 29.853 7.472 19085 640 1 4 . 1 1 39 39 CYS H H 39 8.370 8.370 8.654 -0.284 19085 641 1 5 . 1 1 2 2 ALA N N 2 126.951 126.951 127.067 -0.116 19085 642 1 5 . 1 1 2 2 ALA HA H 2 4.301 4.301 3.970 0.331 19085 643 1 5 . 1 1 2 2 ALA CA C 2 52.406 52.406 53.209 -0.803 19085 644 1 5 . 1 1 2 2 ALA CB C 2 19.210 19.210 17.988 1.222 19085 645 1 5 . 1 1 2 2 ALA H H 2 8.685 8.685 8.210 0.475 19085 646 1 5 . 1 1 3 3 ALA N N 3 124.358 124.358 121.957 2.401 19085 647 1 5 . 1 1 3 3 ALA HA H 3 4.269 4.269 4.226 0.043 19085 648 1 5 . 1 1 3 3 ALA CA C 3 52.178 52.178 53.727 -1.549 19085 649 1 5 . 1 1 3 3 ALA CB C 3 19.345 19.345 19.346 -0.001 19085 650 1 5 . 1 1 3 3 ALA H H 3 8.328 8.328 8.613 -0.285 19085 651 1 5 . 1 1 4 4 VAL N N 4 119.842 119.842 109.646 10.196 19085 652 1 5 . 1 1 4 4 VAL HA H 4 3.949 3.949 4.480 -0.531 19085 653 1 5 . 1 1 4 4 VAL CA C 4 62.170 62.170 62.482 -0.312 19085 654 1 5 . 1 1 4 4 VAL CB C 4 32.626 32.626 32.841 -0.215 19085 655 1 5 . 1 1 4 4 VAL H H 4 8.107 8.107 7.834 0.273 19085 656 1 5 . 1 1 5 5 CYS N N 5 121.502 121.502 122.501 -0.999 19085 657 1 5 . 1 1 5 5 CYS HA H 5 4.633 4.633 4.647 -0.014 19085 658 1 5 . 1 1 5 5 CYS CB C 5 35.325 35.325 28.329 6.996 19085 659 1 5 . 1 1 5 5 CYS H H 5 7.666 7.666 7.824 -0.158 19085 660 1 5 . 1 1 6 6 THR N N 6 109.529 109.529 115.892 -6.363 19085 661 1 5 . 1 1 6 6 THR HA H 6 4.674 4.674 4.590 0.084 19085 662 1 5 . 1 1 6 6 THR H H 6 8.411 8.411 8.278 0.133 19085 663 1 5 . 1 1 7 7 THR N N 7 112.520 112.520 112.017 0.503 19085 664 1 5 . 1 1 7 7 THR HA H 7 4.729 4.729 4.407 0.322 19085 665 1 5 . 1 1 7 7 THR H H 7 8.362 8.362 8.367 -0.005 19085 666 1 5 . 1 1 8 8 GLU N N 8 123.121 123.121 122.516 0.605 19085 667 1 5 . 1 1 8 8 GLU HA H 8 4.138 4.138 4.389 -0.251 19085 668 1 5 . 1 1 8 8 GLU CA C 8 57.299 57.299 55.725 1.574 19085 669 1 5 . 1 1 8 8 GLU CB C 8 29.033 29.033 30.366 -1.333 19085 670 1 5 . 1 1 8 8 GLU H H 8 7.885 7.885 7.846 0.039 19085 671 1 5 . 1 1 9 9 TRP N N 9 126.973 126.973 128.161 -1.188 19085 672 1 5 . 1 1 9 9 TRP HA H 9 4.938 4.938 4.487 0.452 19085 673 1 5 . 1 1 9 9 TRP CB C 9 29.305 29.305 29.409 -0.104 19085 674 1 5 . 1 1 9 9 TRP H H 9 8.799 8.799 8.521 0.278 19085 675 1 5 . 1 1 10 10 ASP N N 10 126.641 126.641 128.762 -2.121 19085 676 1 5 . 1 1 10 10 ASP HA H 10 4.656 4.656 4.838 -0.182 19085 677 1 5 . 1 1 10 10 ASP CA C 10 50.047 50.047 50.220 -0.173 19085 678 1 5 . 1 1 10 10 ASP CB C 10 38.489 38.489 42.940 -4.451 19085 679 1 5 . 1 1 10 10 ASP H H 10 8.790 8.790 7.935 0.855 19085 680 1 5 . 1 1 11 11 PRO HA H 11 4.054 4.054 4.605 -0.551 19085 681 1 5 . 1 1 11 11 PRO CA C 11 62.749 62.749 62.325 0.424 19085 682 1 5 . 1 1 11 11 PRO CB C 11 33.189 33.189 31.717 1.472 19085 683 1 5 . 1 1 12 12 VAL N N 12 110.024 110.024 115.303 -5.279 19085 684 1 5 . 1 1 12 12 VAL HA H 12 4.447 4.447 4.758 -0.311 19085 685 1 5 . 1 1 12 12 VAL H H 12 8.078 8.078 8.538 -0.460 19085 686 1 5 . 1 1 13 13 CYS N N 13 120.371 120.371 120.834 -0.463 19085 687 1 5 . 1 1 13 13 CYS HA H 13 5.222 5.222 5.384 -0.162 19085 688 1 5 . 1 1 13 13 CYS CA C 13 53.837 53.837 57.102 -3.265 19085 689 1 5 . 1 1 13 13 CYS CB C 13 38.384 38.384 29.450 8.934 19085 690 1 5 . 1 1 13 13 CYS H H 13 8.431 8.431 8.783 -0.352 19085 691 1 5 . 1 1 14 14 GLY N N 14 116.333 116.333 113.933 2.400 19085 692 1 5 . 1 1 14 14 GLY CA C 14 45.741 45.741 44.161 1.580 19085 693 1 5 . 1 1 14 14 GLY H H 14 9.577 9.577 9.235 0.342 19085 694 1 5 . 1 1 15 15 LYS N N 15 122.042 122.042 119.405 2.637 19085 695 1 5 . 1 1 15 15 LYS HA H 15 4.004 4.004 4.226 -0.222 19085 696 1 5 . 1 1 15 15 LYS CA C 15 59.084 59.084 58.427 0.657 19085 697 1 5 . 1 1 15 15 LYS CB C 15 32.259 32.259 32.510 -0.251 19085 698 1 5 . 1 1 15 15 LYS H H 15 8.838 8.838 8.564 0.274 19085 699 1 5 . 1 1 16 16 ASP N N 16 116.512 116.512 116.053 0.459 19085 700 1 5 . 1 1 16 16 ASP HA H 16 4.405 4.405 4.753 -0.348 19085 701 1 5 . 1 1 16 16 ASP CB C 16 39.824 39.824 39.830 -0.006 19085 702 1 5 . 1 1 16 16 ASP H H 16 8.354 8.354 8.046 0.308 19085 703 1 5 . 1 1 17 17 GLY N N 17 108.685 108.685 108.249 0.436 19085 704 1 5 . 1 1 17 17 GLY CA C 17 45.730 45.730 45.718 0.012 19085 705 1 5 . 1 1 17 17 GLY H H 17 8.215 8.215 7.946 0.269 19085 706 1 5 . 1 1 18 18 LYS N N 18 121.419 121.419 121.391 0.028 19085 707 1 5 . 1 1 18 18 LYS HA H 18 4.396 4.396 4.232 0.164 19085 708 1 5 . 1 1 18 18 LYS CA C 18 54.813 54.813 55.033 -0.220 19085 709 1 5 . 1 1 18 18 LYS CB C 18 33.625 33.625 32.348 1.277 19085 710 1 5 . 1 1 18 18 LYS H H 18 7.827 7.827 7.971 -0.144 19085 711 1 5 . 1 1 19 19 THR N N 19 121.800 121.800 119.993 1.807 19085 712 1 5 . 1 1 19 19 THR HA H 19 4.843 4.843 4.838 0.005 19085 713 1 5 . 1 1 19 19 THR CB C 19 69.515 69.515 69.375 0.140 19085 714 1 5 . 1 1 19 19 THR H H 19 8.344 8.344 8.420 -0.076 19085 715 1 5 . 1 1 20 20 TYR N N 20 127.910 127.910 127.460 0.450 19085 716 1 5 . 1 1 20 20 TYR HA H 20 4.508 4.508 4.793 -0.285 19085 717 1 5 . 1 1 20 20 TYR CB C 20 41.681 41.681 40.590 1.091 19085 718 1 5 . 1 1 20 20 TYR H H 20 9.355 9.355 9.020 0.335 19085 719 1 5 . 1 1 21 21 SER N N 21 116.849 116.849 119.687 -2.838 19085 720 1 5 . 1 1 21 21 SER HA H 21 3.804 3.804 4.038 -0.234 19085 721 1 5 . 1 1 21 21 SER CA C 21 61.968 61.968 61.477 0.491 19085 722 1 5 . 1 1 21 21 SER CB C 21 63.517 63.517 63.811 -0.294 19085 723 1 5 . 1 1 21 21 SER H H 21 9.035 9.035 9.045 -0.010 19085 724 1 5 . 1 1 22 22 ASN N N 22 105.634 105.634 114.648 -9.014 19085 725 1 5 . 1 1 22 22 ASN HA H 22 4.813 4.813 4.859 -0.046 19085 726 1 5 . 1 1 22 22 ASN CB C 22 40.080 40.080 40.148 -0.068 19085 727 1 5 . 1 1 22 22 ASN H H 22 7.344 7.344 7.883 -0.539 19085 728 1 5 . 1 1 23 23 LEU N N 23 118.802 118.802 120.052 -1.250 19085 729 1 5 . 1 1 23 23 LEU HA H 23 3.857 3.857 4.226 -0.369 19085 730 1 5 . 1 1 23 23 LEU CA C 23 57.560 57.560 57.052 0.508 19085 731 1 5 . 1 1 23 23 LEU CB C 23 42.864 42.864 41.918 0.946 19085 732 1 5 . 1 1 23 23 LEU H H 23 8.832 8.832 8.436 0.396 19085 733 1 5 . 1 1 24 24 CYS N N 24 119.567 119.567 120.786 -1.219 19085 734 1 5 . 1 1 24 24 CYS HA H 24 4.139 4.139 3.953 0.186 19085 735 1 5 . 1 1 24 24 CYS CA C 24 60.622 60.622 63.149 -2.527 19085 736 1 5 . 1 1 24 24 CYS CB C 24 35.293 35.293 25.402 9.891 19085 737 1 5 . 1 1 24 24 CYS H H 24 8.180 8.180 8.118 0.062 19085 738 1 5 . 1 1 25 25 TRP N N 25 120.561 120.561 120.580 -0.019 19085 739 1 5 . 1 1 25 25 TRP HA H 25 4.340 4.340 4.602 -0.262 19085 740 1 5 . 1 1 25 25 TRP CB C 25 30.325 30.325 29.244 1.081 19085 741 1 5 . 1 1 25 25 TRP H H 25 7.587 7.587 8.931 -1.344 19085 742 1 5 . 1 1 26 26 LEU N N 26 122.581 122.581 120.624 1.957 19085 743 1 5 . 1 1 26 26 LEU HA H 26 2.935 2.935 2.872 0.063 19085 744 1 5 . 1 1 26 26 LEU CA C 26 58.635 58.635 57.659 0.976 19085 745 1 5 . 1 1 26 26 LEU CB C 26 41.365 41.365 41.157 0.208 19085 746 1 5 . 1 1 26 26 LEU H H 26 7.312 7.312 7.495 -0.183 19085 747 1 5 . 1 1 27 27 ASN N N 27 117.645 117.645 117.325 0.320 19085 748 1 5 . 1 1 27 27 ASN HA H 27 4.411 4.411 4.276 0.135 19085 749 1 5 . 1 1 27 27 ASN CB C 27 37.644 37.644 38.873 -1.230 19085 750 1 5 . 1 1 27 27 ASN H H 27 8.444 8.444 8.201 0.243 19085 751 1 5 . 1 1 28 28 GLU N N 28 121.101 121.101 119.417 1.684 19085 752 1 5 . 1 1 28 28 GLU HA H 28 4.017 4.017 4.033 -0.016 19085 753 1 5 . 1 1 28 28 GLU CA C 28 58.804 58.804 58.473 0.331 19085 754 1 5 . 1 1 28 28 GLU CB C 28 28.166 28.166 29.665 -1.499 19085 755 1 5 . 1 1 28 28 GLU H H 28 8.365 8.365 8.238 0.127 19085 756 1 5 . 1 1 29 29 ALA N N 29 120.397 120.397 118.810 1.587 19085 757 1 5 . 1 1 29 29 ALA HA H 29 4.335 4.335 4.361 -0.026 19085 758 1 5 . 1 1 29 29 ALA CA C 29 52.561 52.561 51.951 0.610 19085 759 1 5 . 1 1 29 29 ALA CB C 29 18.678 18.678 18.855 -0.177 19085 760 1 5 . 1 1 29 29 ALA H H 29 7.530 7.530 7.610 -0.080 19085 761 1 5 . 1 1 30 30 GLY N N 30 106.021 106.021 107.856 -1.835 19085 762 1 5 . 1 1 30 30 GLY CA C 30 46.111 46.111 45.338 0.773 19085 763 1 5 . 1 1 30 30 GLY H H 30 7.793 7.793 7.564 0.229 19085 764 1 5 . 1 1 31 31 VAL N N 31 116.550 116.550 119.736 -3.186 19085 765 1 5 . 1 1 31 31 VAL HA H 31 4.066 4.066 4.235 -0.169 19085 766 1 5 . 1 1 31 31 VAL CA C 31 60.934 60.934 61.388 -0.454 19085 767 1 5 . 1 1 31 31 VAL H H 31 6.611 6.611 7.259 -0.648 19085 768 1 5 . 1 1 32 32 GLY N N 32 110.423 110.423 112.883 -2.460 19085 769 1 5 . 1 1 32 32 GLY CA C 32 44.572 44.572 44.375 0.197 19085 770 1 5 . 1 1 32 32 GLY H H 32 8.551 8.551 8.388 0.163 19085 771 1 5 . 1 1 33 33 LEU N N 33 124.291 124.291 122.618 1.673 19085 772 1 5 . 1 1 33 33 LEU HA H 33 3.949 3.949 4.153 -0.204 19085 773 1 5 . 1 1 33 33 LEU CA C 33 55.823 55.823 55.888 -0.065 19085 774 1 5 . 1 1 33 33 LEU CB C 33 43.070 43.070 43.631 -0.561 19085 775 1 5 . 1 1 33 33 LEU H H 33 8.613 8.613 8.317 0.296 19085 776 1 5 . 1 1 34 34 ASP N N 34 126.710 126.710 124.023 2.687 19085 777 1 5 . 1 1 34 34 ASP HA H 34 4.789 4.789 4.744 0.045 19085 778 1 5 . 1 1 34 34 ASP CB C 34 42.065 42.065 43.659 -1.594 19085 779 1 5 . 1 1 34 34 ASP H H 34 9.091 9.091 8.424 0.667 19085 780 1 5 . 1 1 35 35 HIS N N 35 106.163 106.163 118.239 -12.076 19085 781 1 5 . 1 1 35 35 HIS HA H 35 4.822 4.822 4.836 -0.014 19085 782 1 5 . 1 1 35 35 HIS CB C 35 30.351 30.351 31.681 -1.330 19085 783 1 5 . 1 1 35 35 HIS H H 35 7.302 7.302 7.882 -0.580 19085 784 1 5 . 1 1 36 36 GLU N N 36 120.636 120.636 121.583 -0.947 19085 785 1 5 . 1 1 36 36 GLU HA H 36 4.209 4.209 4.099 0.110 19085 786 1 5 . 1 1 36 36 GLU CA C 36 57.734 57.734 56.407 1.327 19085 787 1 5 . 1 1 36 36 GLU CB C 36 29.241 29.241 30.342 -1.101 19085 788 1 5 . 1 1 36 36 GLU H H 36 9.309 9.309 8.760 0.549 19085 789 1 5 . 1 1 37 37 GLY N N 37 115.205 115.205 111.531 3.674 19085 790 1 5 . 1 1 37 37 GLY CA C 37 44.550 44.550 44.450 0.100 19085 791 1 5 . 1 1 37 37 GLY H H 37 8.153 8.153 8.330 -0.177 19085 792 1 5 . 1 1 38 38 GLU N N 38 112.146 112.146 119.717 -7.571 19085 793 1 5 . 1 1 38 38 GLU HA H 38 3.899 3.899 4.271 -0.372 19085 794 1 5 . 1 1 38 38 GLU CA C 38 56.221 56.221 55.371 0.850 19085 795 1 5 . 1 1 38 38 GLU CB C 38 29.513 29.513 30.824 -1.311 19085 796 1 5 . 1 1 38 38 GLU H H 38 8.099 8.099 8.397 -0.298 19085 797 1 5 . 1 1 39 39 CYS N N 39 119.239 119.239 119.843 -0.604 19085 798 1 5 . 1 1 39 39 CYS HA H 39 4.556 4.556 4.888 -0.332 19085 799 1 5 . 1 1 39 39 CYS CB C 39 37.325 37.325 29.379 7.946 19085 800 1 5 . 1 1 39 39 CYS H H 39 8.370 8.370 8.635 -0.265 19085 801 1 6 . 1 1 2 2 ALA N N 2 126.951 126.951 124.739 2.212 19085 802 1 6 . 1 1 2 2 ALA HA H 2 4.301 4.301 4.260 0.041 19085 803 1 6 . 1 1 2 2 ALA CA C 2 52.406 52.406 52.225 0.181 19085 804 1 6 . 1 1 2 2 ALA CB C 2 19.210 19.210 19.164 0.046 19085 805 1 6 . 1 1 2 2 ALA H H 2 8.685 8.685 8.112 0.573 19085 806 1 6 . 1 1 3 3 ALA N N 3 124.358 124.358 127.005 -2.647 19085 807 1 6 . 1 1 3 3 ALA HA H 3 4.269 4.269 4.335 -0.066 19085 808 1 6 . 1 1 3 3 ALA CA C 3 52.178 52.178 52.212 -0.035 19085 809 1 6 . 1 1 3 3 ALA CB C 3 19.345 19.345 17.561 1.784 19085 810 1 6 . 1 1 3 3 ALA H H 3 8.328 8.328 8.436 -0.108 19085 811 1 6 . 1 1 4 4 VAL N N 4 119.842 119.842 113.325 6.517 19085 812 1 6 . 1 1 4 4 VAL HA H 4 3.949 3.949 4.375 -0.426 19085 813 1 6 . 1 1 4 4 VAL CA C 4 62.170 62.170 61.472 0.698 19085 814 1 6 . 1 1 4 4 VAL CB C 4 32.626 32.626 31.811 0.815 19085 815 1 6 . 1 1 4 4 VAL H H 4 8.107 8.107 7.574 0.533 19085 816 1 6 . 1 1 5 5 CYS N N 5 121.502 121.502 120.991 0.511 19085 817 1 6 . 1 1 5 5 CYS HA H 5 4.633 4.633 4.498 0.135 19085 818 1 6 . 1 1 5 5 CYS CB C 5 35.325 35.325 26.701 8.624 19085 819 1 6 . 1 1 5 5 CYS H H 5 7.666 7.666 7.829 -0.163 19085 820 1 6 . 1 1 6 6 THR N N 6 109.529 109.529 120.254 -10.725 19085 821 1 6 . 1 1 6 6 THR HA H 6 4.674 4.674 4.397 0.277 19085 822 1 6 . 1 1 6 6 THR H H 6 8.411 8.411 8.171 0.240 19085 823 1 6 . 1 1 7 7 THR N N 7 112.520 112.520 110.688 1.832 19085 824 1 6 . 1 1 7 7 THR HA H 7 4.729 4.729 4.447 0.282 19085 825 1 6 . 1 1 7 7 THR H H 7 8.362 8.362 8.271 0.091 19085 826 1 6 . 1 1 8 8 GLU N N 8 123.121 123.121 121.715 1.406 19085 827 1 6 . 1 1 8 8 GLU HA H 8 4.138 4.138 4.313 -0.175 19085 828 1 6 . 1 1 8 8 GLU CA C 8 57.299 57.299 56.639 0.660 19085 829 1 6 . 1 1 8 8 GLU CB C 8 29.033 29.033 30.041 -1.008 19085 830 1 6 . 1 1 8 8 GLU H H 8 7.885 7.885 7.658 0.227 19085 831 1 6 . 1 1 9 9 TRP N N 9 126.973 126.973 127.587 -0.614 19085 832 1 6 . 1 1 9 9 TRP HA H 9 4.938 4.938 4.498 0.440 19085 833 1 6 . 1 1 9 9 TRP CB C 9 29.305 29.305 29.328 -0.023 19085 834 1 6 . 1 1 9 9 TRP H H 9 8.799 8.799 8.465 0.334 19085 835 1 6 . 1 1 10 10 ASP N N 10 126.641 126.641 128.563 -1.922 19085 836 1 6 . 1 1 10 10 ASP HA H 10 4.656 4.656 4.751 -0.095 19085 837 1 6 . 1 1 10 10 ASP CA C 10 50.047 50.047 50.711 -0.664 19085 838 1 6 . 1 1 10 10 ASP CB C 10 38.489 38.489 42.085 -3.596 19085 839 1 6 . 1 1 10 10 ASP H H 10 8.790 8.790 8.092 0.698 19085 840 1 6 . 1 1 11 11 PRO HA H 11 4.054 4.054 4.845 -0.791 19085 841 1 6 . 1 1 11 11 PRO CA C 11 62.749 62.749 61.996 0.753 19085 842 1 6 . 1 1 11 11 PRO CB C 11 33.189 33.189 32.020 1.169 19085 843 1 6 . 1 1 12 12 VAL N N 12 110.024 110.024 114.391 -4.367 19085 844 1 6 . 1 1 12 12 VAL HA H 12 4.447 4.447 4.819 -0.372 19085 845 1 6 . 1 1 12 12 VAL H H 12 8.078 8.078 8.275 -0.197 19085 846 1 6 . 1 1 13 13 CYS N N 13 120.371 120.371 120.625 -0.254 19085 847 1 6 . 1 1 13 13 CYS HA H 13 5.222 5.222 5.610 -0.388 19085 848 1 6 . 1 1 13 13 CYS CA C 13 53.837 53.837 57.035 -3.198 19085 849 1 6 . 1 1 13 13 CYS CB C 13 38.384 38.384 29.893 8.491 19085 850 1 6 . 1 1 13 13 CYS H H 13 8.431 8.431 8.886 -0.455 19085 851 1 6 . 1 1 14 14 GLY N N 14 116.333 116.333 113.605 2.728 19085 852 1 6 . 1 1 14 14 GLY CA C 14 45.741 45.741 44.301 1.440 19085 853 1 6 . 1 1 14 14 GLY H H 14 9.577 9.577 9.225 0.352 19085 854 1 6 . 1 1 15 15 LYS N N 15 122.042 122.042 119.575 2.467 19085 855 1 6 . 1 1 15 15 LYS HA H 15 4.004 4.004 4.050 -0.046 19085 856 1 6 . 1 1 15 15 LYS CA C 15 59.084 59.084 58.677 0.407 19085 857 1 6 . 1 1 15 15 LYS CB C 15 32.259 32.259 32.437 -0.178 19085 858 1 6 . 1 1 15 15 LYS H H 15 8.838 8.838 8.504 0.334 19085 859 1 6 . 1 1 16 16 ASP N N 16 116.512 116.512 117.524 -1.012 19085 860 1 6 . 1 1 16 16 ASP HA H 16 4.405 4.405 4.644 -0.239 19085 861 1 6 . 1 1 16 16 ASP CB C 16 39.824 39.824 40.701 -0.877 19085 862 1 6 . 1 1 16 16 ASP H H 16 8.354 8.354 8.033 0.321 19085 863 1 6 . 1 1 17 17 GLY N N 17 108.685 108.685 107.336 1.349 19085 864 1 6 . 1 1 17 17 GLY CA C 17 45.730 45.730 45.890 -0.160 19085 865 1 6 . 1 1 17 17 GLY H H 17 8.215 8.215 7.894 0.321 19085 866 1 6 . 1 1 18 18 LYS N N 18 121.419 121.419 119.626 1.793 19085 867 1 6 . 1 1 18 18 LYS HA H 18 4.396 4.396 4.570 -0.174 19085 868 1 6 . 1 1 18 18 LYS CA C 18 54.813 54.813 54.385 0.428 19085 869 1 6 . 1 1 18 18 LYS CB C 18 33.625 33.625 33.561 0.064 19085 870 1 6 . 1 1 18 18 LYS H H 18 7.827 7.827 8.088 -0.261 19085 871 1 6 . 1 1 19 19 THR N N 19 121.800 121.800 119.447 2.353 19085 872 1 6 . 1 1 19 19 THR HA H 19 4.843 4.843 4.938 -0.095 19085 873 1 6 . 1 1 19 19 THR CB C 19 69.515 69.515 69.294 0.221 19085 874 1 6 . 1 1 19 19 THR H H 19 8.344 8.344 8.505 -0.161 19085 875 1 6 . 1 1 20 20 TYR N N 20 127.910 127.910 126.402 1.508 19085 876 1 6 . 1 1 20 20 TYR HA H 20 4.508 4.508 4.854 -0.346 19085 877 1 6 . 1 1 20 20 TYR CB C 20 41.681 41.681 40.937 0.744 19085 878 1 6 . 1 1 20 20 TYR H H 20 9.355 9.355 9.202 0.153 19085 879 1 6 . 1 1 21 21 SER N N 21 116.849 116.849 118.359 -1.510 19085 880 1 6 . 1 1 21 21 SER HA H 21 3.804 3.804 4.140 -0.336 19085 881 1 6 . 1 1 21 21 SER CA C 21 61.968 61.968 60.955 1.013 19085 882 1 6 . 1 1 21 21 SER CB C 21 63.517 63.517 63.447 0.070 19085 883 1 6 . 1 1 21 21 SER H H 21 9.035 9.035 8.945 0.090 19085 884 1 6 . 1 1 22 22 ASN N N 22 105.634 105.634 116.776 -11.142 19085 885 1 6 . 1 1 22 22 ASN HA H 22 4.813 4.813 5.104 -0.291 19085 886 1 6 . 1 1 22 22 ASN CB C 22 40.080 40.080 39.709 0.371 19085 887 1 6 . 1 1 22 22 ASN H H 22 7.344 7.344 8.123 -0.779 19085 888 1 6 . 1 1 23 23 LEU N N 23 118.802 118.802 120.054 -1.252 19085 889 1 6 . 1 1 23 23 LEU HA H 23 3.857 3.857 4.223 -0.366 19085 890 1 6 . 1 1 23 23 LEU CA C 23 57.560 57.560 57.520 0.040 19085 891 1 6 . 1 1 23 23 LEU CB C 23 42.864 42.864 41.954 0.910 19085 892 1 6 . 1 1 23 23 LEU H H 23 8.832 8.832 8.365 0.467 19085 893 1 6 . 1 1 24 24 CYS N N 24 119.567 119.567 118.859 0.708 19085 894 1 6 . 1 1 24 24 CYS HA H 24 4.139 4.139 3.988 0.151 19085 895 1 6 . 1 1 24 24 CYS CA C 24 60.622 60.622 63.323 -2.701 19085 896 1 6 . 1 1 24 24 CYS CB C 24 35.293 35.293 25.427 9.866 19085 897 1 6 . 1 1 24 24 CYS H H 24 8.180 8.180 8.291 -0.111 19085 898 1 6 . 1 1 25 25 TRP N N 25 120.561 120.561 120.199 0.362 19085 899 1 6 . 1 1 25 25 TRP HA H 25 4.340 4.340 4.378 -0.038 19085 900 1 6 . 1 1 25 25 TRP CB C 25 30.325 30.325 29.382 0.943 19085 901 1 6 . 1 1 25 25 TRP H H 25 7.587 7.587 8.857 -1.270 19085 902 1 6 . 1 1 26 26 LEU N N 26 122.581 122.581 121.202 1.379 19085 903 1 6 . 1 1 26 26 LEU HA H 26 2.935 2.935 2.883 0.052 19085 904 1 6 . 1 1 26 26 LEU CA C 26 58.635 58.635 57.341 1.294 19085 905 1 6 . 1 1 26 26 LEU CB C 26 41.365 41.365 41.132 0.233 19085 906 1 6 . 1 1 26 26 LEU H H 26 7.312 7.312 7.475 -0.163 19085 907 1 6 . 1 1 27 27 ASN N N 27 117.645 117.645 117.459 0.186 19085 908 1 6 . 1 1 27 27 ASN HA H 27 4.411 4.411 4.273 0.138 19085 909 1 6 . 1 1 27 27 ASN CB C 27 37.644 37.644 38.732 -1.088 19085 910 1 6 . 1 1 27 27 ASN H H 27 8.444 8.444 8.083 0.361 19085 911 1 6 . 1 1 28 28 GLU N N 28 121.101 121.101 119.306 1.795 19085 912 1 6 . 1 1 28 28 GLU HA H 28 4.017 4.017 4.130 -0.113 19085 913 1 6 . 1 1 28 28 GLU CA C 28 58.804 58.804 58.459 0.345 19085 914 1 6 . 1 1 28 28 GLU CB C 28 28.166 28.166 29.312 -1.147 19085 915 1 6 . 1 1 28 28 GLU H H 28 8.365 8.365 8.041 0.324 19085 916 1 6 . 1 1 29 29 ALA N N 29 120.397 120.397 119.122 1.275 19085 917 1 6 . 1 1 29 29 ALA HA H 29 4.335 4.335 4.379 -0.044 19085 918 1 6 . 1 1 29 29 ALA CA C 29 52.561 52.561 52.243 0.318 19085 919 1 6 . 1 1 29 29 ALA CB C 29 18.678 18.678 19.011 -0.333 19085 920 1 6 . 1 1 29 29 ALA H H 29 7.530 7.530 7.791 -0.261 19085 921 1 6 . 1 1 30 30 GLY N N 30 106.021 106.021 107.640 -1.619 19085 922 1 6 . 1 1 30 30 GLY CA C 30 46.111 46.111 45.454 0.657 19085 923 1 6 . 1 1 30 30 GLY H H 30 7.793 7.793 7.505 0.288 19085 924 1 6 . 1 1 31 31 VAL N N 31 116.550 116.550 120.927 -4.377 19085 925 1 6 . 1 1 31 31 VAL HA H 31 4.066 4.066 4.052 0.014 19085 926 1 6 . 1 1 31 31 VAL CA C 31 60.934 60.934 62.903 -1.969 19085 927 1 6 . 1 1 31 31 VAL H H 31 6.611 6.611 7.178 -0.567 19085 928 1 6 . 1 1 32 32 GLY N N 32 110.423 110.423 113.358 -2.935 19085 929 1 6 . 1 1 32 32 GLY CA C 32 44.572 44.572 44.332 0.240 19085 930 1 6 . 1 1 32 32 GLY H H 32 8.551 8.551 8.292 0.259 19085 931 1 6 . 1 1 33 33 LEU N N 33 124.291 124.291 122.184 2.107 19085 932 1 6 . 1 1 33 33 LEU HA H 33 3.949 3.949 4.169 -0.220 19085 933 1 6 . 1 1 33 33 LEU CA C 33 55.823 55.823 55.842 -0.019 19085 934 1 6 . 1 1 33 33 LEU CB C 33 43.070 43.070 43.424 -0.354 19085 935 1 6 . 1 1 33 33 LEU H H 33 8.613 8.613 8.182 0.431 19085 936 1 6 . 1 1 34 34 ASP N N 34 126.710 126.710 124.685 2.025 19085 937 1 6 . 1 1 34 34 ASP HA H 34 4.789 4.789 4.694 0.095 19085 938 1 6 . 1 1 34 34 ASP CB C 34 42.065 42.065 43.047 -0.982 19085 939 1 6 . 1 1 34 34 ASP H H 34 9.091 9.091 8.730 0.361 19085 940 1 6 . 1 1 35 35 HIS N N 35 106.163 106.163 118.643 -12.480 19085 941 1 6 . 1 1 35 35 HIS HA H 35 4.822 4.822 4.926 -0.104 19085 942 1 6 . 1 1 35 35 HIS CB C 35 30.351 30.351 32.127 -1.776 19085 943 1 6 . 1 1 35 35 HIS H H 35 7.302 7.302 8.186 -0.884 19085 944 1 6 . 1 1 36 36 GLU N N 36 120.636 120.636 120.774 -0.138 19085 945 1 6 . 1 1 36 36 GLU HA H 36 4.209 4.209 4.223 -0.014 19085 946 1 6 . 1 1 36 36 GLU CA C 36 57.734 57.734 56.124 1.610 19085 947 1 6 . 1 1 36 36 GLU CB C 36 29.241 29.241 31.173 -1.932 19085 948 1 6 . 1 1 36 36 GLU H H 36 9.309 9.309 8.763 0.546 19085 949 1 6 . 1 1 37 37 GLY N N 37 115.205 115.205 111.690 3.515 19085 950 1 6 . 1 1 37 37 GLY CA C 37 44.550 44.550 44.316 0.234 19085 951 1 6 . 1 1 37 37 GLY H H 37 8.153 8.153 8.057 0.096 19085 952 1 6 . 1 1 38 38 GLU N N 38 112.146 112.146 119.067 -6.921 19085 953 1 6 . 1 1 38 38 GLU HA H 38 3.899 3.899 4.221 -0.322 19085 954 1 6 . 1 1 38 38 GLU CA C 38 56.221 56.221 55.808 0.413 19085 955 1 6 . 1 1 38 38 GLU CB C 38 29.513 29.513 30.711 -1.198 19085 956 1 6 . 1 1 38 38 GLU H H 38 8.099 8.099 8.370 -0.271 19085 957 1 6 . 1 1 39 39 CYS N N 39 119.239 119.239 116.690 2.549 19085 958 1 6 . 1 1 39 39 CYS HA H 39 4.556 4.556 5.053 -0.497 19085 959 1 6 . 1 1 39 39 CYS CB C 39 37.325 37.325 30.441 6.884 19085 960 1 6 . 1 1 39 39 CYS H H 39 8.370 8.370 8.947 -0.577 19085 961 1 7 . 1 1 2 2 ALA N N 2 126.951 126.951 124.079 2.872 19085 962 1 7 . 1 1 2 2 ALA HA H 2 4.301 4.301 4.814 -0.513 19085 963 1 7 . 1 1 2 2 ALA CA C 2 52.406 52.406 54.102 -1.696 19085 964 1 7 . 1 1 2 2 ALA CB C 2 19.210 19.210 19.100 0.110 19085 965 1 7 . 1 1 2 2 ALA H H 2 8.685 8.685 8.958 -0.273 19085 966 1 7 . 1 1 3 3 ALA N N 3 124.358 124.358 119.972 4.386 19085 967 1 7 . 1 1 3 3 ALA HA H 3 4.269 4.269 4.403 -0.134 19085 968 1 7 . 1 1 3 3 ALA CA C 3 52.178 52.178 51.597 0.581 19085 969 1 7 . 1 1 3 3 ALA CB C 3 19.345 19.345 20.107 -0.762 19085 970 1 7 . 1 1 3 3 ALA H H 3 8.328 8.328 7.427 0.901 19085 971 1 7 . 1 1 4 4 VAL N N 4 119.842 119.842 115.302 4.540 19085 972 1 7 . 1 1 4 4 VAL HA H 4 3.949 3.949 4.367 -0.418 19085 973 1 7 . 1 1 4 4 VAL CA C 4 62.170 62.170 62.723 -0.553 19085 974 1 7 . 1 1 4 4 VAL CB C 4 32.626 32.626 32.406 0.220 19085 975 1 7 . 1 1 4 4 VAL H H 4 8.107 8.107 8.417 -0.310 19085 976 1 7 . 1 1 5 5 CYS N N 5 121.502 121.502 122.125 -0.623 19085 977 1 7 . 1 1 5 5 CYS HA H 5 4.633 4.633 4.636 -0.003 19085 978 1 7 . 1 1 5 5 CYS CB C 5 35.325 35.325 29.397 5.928 19085 979 1 7 . 1 1 5 5 CYS H H 5 7.666 7.666 8.037 -0.371 19085 980 1 7 . 1 1 6 6 THR N N 6 109.529 109.529 115.043 -5.514 19085 981 1 7 . 1 1 6 6 THR HA H 6 4.674 4.674 4.660 0.014 19085 982 1 7 . 1 1 6 6 THR H H 6 8.411 8.411 8.651 -0.240 19085 983 1 7 . 1 1 7 7 THR N N 7 112.520 112.520 109.848 2.672 19085 984 1 7 . 1 1 7 7 THR HA H 7 4.729 4.729 4.489 0.240 19085 985 1 7 . 1 1 7 7 THR H H 7 8.362 8.362 8.100 0.262 19085 986 1 7 . 1 1 8 8 GLU N N 8 123.121 123.121 122.232 0.889 19085 987 1 7 . 1 1 8 8 GLU HA H 8 4.138 4.138 4.263 -0.125 19085 988 1 7 . 1 1 8 8 GLU CA C 8 57.299 57.299 56.311 0.988 19085 989 1 7 . 1 1 8 8 GLU CB C 8 29.033 29.033 30.184 -1.151 19085 990 1 7 . 1 1 8 8 GLU H H 8 7.885 7.885 7.677 0.208 19085 991 1 7 . 1 1 9 9 TRP N N 9 126.973 126.973 127.438 -0.465 19085 992 1 7 . 1 1 9 9 TRP HA H 9 4.938 4.938 4.476 0.462 19085 993 1 7 . 1 1 9 9 TRP CB C 9 29.305 29.305 29.329 -0.024 19085 994 1 7 . 1 1 9 9 TRP H H 9 8.799 8.799 8.535 0.264 19085 995 1 7 . 1 1 10 10 ASP N N 10 126.641 126.641 128.611 -1.970 19085 996 1 7 . 1 1 10 10 ASP HA H 10 4.656 4.656 4.710 -0.054 19085 997 1 7 . 1 1 10 10 ASP CA C 10 50.047 50.047 50.663 -0.616 19085 998 1 7 . 1 1 10 10 ASP CB C 10 38.489 38.489 42.032 -3.543 19085 999 1 7 . 1 1 10 10 ASP H H 10 8.790 8.790 7.854 0.936 19085 1000 1 7 . 1 1 11 11 PRO HA H 11 4.054 4.054 4.786 -0.732 19085 1001 1 7 . 1 1 11 11 PRO CA C 11 62.749 62.749 62.204 0.545 19085 1002 1 7 . 1 1 11 11 PRO CB C 11 33.189 33.189 31.742 1.446 19085 1003 1 7 . 1 1 12 12 VAL N N 12 110.024 110.024 116.927 -6.903 19085 1004 1 7 . 1 1 12 12 VAL HA H 12 4.447 4.447 4.692 -0.245 19085 1005 1 7 . 1 1 12 12 VAL H H 12 8.078 8.078 8.495 -0.417 19085 1006 1 7 . 1 1 13 13 CYS N N 13 120.371 120.371 121.189 -0.818 19085 1007 1 7 . 1 1 13 13 CYS HA H 13 5.222 5.222 5.513 -0.291 19085 1008 1 7 . 1 1 13 13 CYS CA C 13 53.837 53.837 56.798 -2.961 19085 1009 1 7 . 1 1 13 13 CYS CB C 13 38.384 38.384 29.701 8.683 19085 1010 1 7 . 1 1 13 13 CYS H H 13 8.431 8.431 8.864 -0.433 19085 1011 1 7 . 1 1 14 14 GLY N N 14 116.333 116.333 113.889 2.444 19085 1012 1 7 . 1 1 14 14 GLY CA C 14 45.741 45.741 44.221 1.520 19085 1013 1 7 . 1 1 14 14 GLY H H 14 9.577 9.577 9.285 0.292 19085 1014 1 7 . 1 1 15 15 LYS N N 15 122.042 122.042 119.602 2.440 19085 1015 1 7 . 1 1 15 15 LYS HA H 15 4.004 4.004 4.117 -0.113 19085 1016 1 7 . 1 1 15 15 LYS CA C 15 59.084 59.084 58.758 0.326 19085 1017 1 7 . 1 1 15 15 LYS CB C 15 32.259 32.259 32.457 -0.198 19085 1018 1 7 . 1 1 15 15 LYS H H 15 8.838 8.838 8.593 0.245 19085 1019 1 7 . 1 1 16 16 ASP N N 16 116.512 116.512 117.019 -0.507 19085 1020 1 7 . 1 1 16 16 ASP HA H 16 4.405 4.405 4.696 -0.291 19085 1021 1 7 . 1 1 16 16 ASP CB C 16 39.824 39.824 40.481 -0.657 19085 1022 1 7 . 1 1 16 16 ASP H H 16 8.354 8.354 7.969 0.385 19085 1023 1 7 . 1 1 17 17 GLY N N 17 108.685 108.685 107.650 1.035 19085 1024 1 7 . 1 1 17 17 GLY CA C 17 45.730 45.730 45.803 -0.073 19085 1025 1 7 . 1 1 17 17 GLY H H 17 8.215 8.215 7.956 0.259 19085 1026 1 7 . 1 1 18 18 LYS N N 18 121.419 121.419 121.909 -0.490 19085 1027 1 7 . 1 1 18 18 LYS HA H 18 4.396 4.396 4.214 0.182 19085 1028 1 7 . 1 1 18 18 LYS CA C 18 54.813 54.813 56.251 -1.438 19085 1029 1 7 . 1 1 18 18 LYS CB C 18 33.625 33.625 32.886 0.739 19085 1030 1 7 . 1 1 18 18 LYS H H 18 7.827 7.827 8.002 -0.175 19085 1031 1 7 . 1 1 19 19 THR N N 19 121.800 121.800 118.426 3.374 19085 1032 1 7 . 1 1 19 19 THR HA H 19 4.843 4.843 4.802 0.041 19085 1033 1 7 . 1 1 19 19 THR CB C 19 69.515 69.515 69.295 0.220 19085 1034 1 7 . 1 1 19 19 THR H H 19 8.344 8.344 8.218 0.126 19085 1035 1 7 . 1 1 20 20 TYR N N 20 127.910 127.910 126.976 0.934 19085 1036 1 7 . 1 1 20 20 TYR HA H 20 4.508 4.508 4.849 -0.341 19085 1037 1 7 . 1 1 20 20 TYR CB C 20 41.681 41.681 40.726 0.955 19085 1038 1 7 . 1 1 20 20 TYR H H 20 9.355 9.355 9.284 0.071 19085 1039 1 7 . 1 1 21 21 SER N N 21 116.849 116.849 117.780 -0.931 19085 1040 1 7 . 1 1 21 21 SER HA H 21 3.804 3.804 4.060 -0.256 19085 1041 1 7 . 1 1 21 21 SER CA C 21 61.968 61.968 61.700 0.268 19085 1042 1 7 . 1 1 21 21 SER CB C 21 63.517 63.517 63.700 -0.183 19085 1043 1 7 . 1 1 21 21 SER H H 21 9.035 9.035 9.047 -0.012 19085 1044 1 7 . 1 1 22 22 ASN N N 22 105.634 105.634 115.447 -9.813 19085 1045 1 7 . 1 1 22 22 ASN HA H 22 4.813 4.813 4.842 -0.029 19085 1046 1 7 . 1 1 22 22 ASN CB C 22 40.080 40.080 39.119 0.961 19085 1047 1 7 . 1 1 22 22 ASN H H 22 7.344 7.344 7.977 -0.633 19085 1048 1 7 . 1 1 23 23 LEU N N 23 118.802 118.802 120.186 -1.384 19085 1049 1 7 . 1 1 23 23 LEU HA H 23 3.857 3.857 4.119 -0.262 19085 1050 1 7 . 1 1 23 23 LEU CA C 23 57.560 57.560 57.502 0.058 19085 1051 1 7 . 1 1 23 23 LEU CB C 23 42.864 42.864 41.973 0.891 19085 1052 1 7 . 1 1 23 23 LEU H H 23 8.832 8.832 8.358 0.474 19085 1053 1 7 . 1 1 24 24 CYS N N 24 119.567 119.567 116.929 2.638 19085 1054 1 7 . 1 1 24 24 CYS HA H 24 4.139 4.139 4.003 0.136 19085 1055 1 7 . 1 1 24 24 CYS CA C 24 60.622 60.622 62.430 -1.808 19085 1056 1 7 . 1 1 24 24 CYS CB C 24 35.293 35.293 25.243 10.050 19085 1057 1 7 . 1 1 24 24 CYS H H 24 8.180 8.180 8.098 0.082 19085 1058 1 7 . 1 1 25 25 TRP N N 25 120.561 120.561 120.070 0.491 19085 1059 1 7 . 1 1 25 25 TRP HA H 25 4.340 4.340 4.372 -0.032 19085 1060 1 7 . 1 1 25 25 TRP CB C 25 30.325 30.325 29.356 0.969 19085 1061 1 7 . 1 1 25 25 TRP H H 25 7.587 7.587 8.623 -1.036 19085 1062 1 7 . 1 1 26 26 LEU N N 26 122.581 122.581 121.262 1.319 19085 1063 1 7 . 1 1 26 26 LEU HA H 26 2.935 2.935 2.816 0.119 19085 1064 1 7 . 1 1 26 26 LEU CA C 26 58.635 58.635 57.114 1.521 19085 1065 1 7 . 1 1 26 26 LEU CB C 26 41.365 41.365 41.037 0.328 19085 1066 1 7 . 1 1 26 26 LEU H H 26 7.312 7.312 7.414 -0.102 19085 1067 1 7 . 1 1 27 27 ASN N N 27 117.645 117.645 117.627 0.018 19085 1068 1 7 . 1 1 27 27 ASN HA H 27 4.411 4.411 4.344 0.067 19085 1069 1 7 . 1 1 27 27 ASN CB C 27 37.644 37.644 38.642 -0.998 19085 1070 1 7 . 1 1 27 27 ASN H H 27 8.444 8.444 8.288 0.156 19085 1071 1 7 . 1 1 28 28 GLU N N 28 121.101 121.101 120.648 0.453 19085 1072 1 7 . 1 1 28 28 GLU HA H 28 4.017 4.017 4.144 -0.127 19085 1073 1 7 . 1 1 28 28 GLU CA C 28 58.804 58.804 58.912 -0.108 19085 1074 1 7 . 1 1 28 28 GLU CB C 28 28.166 28.166 29.573 -1.407 19085 1075 1 7 . 1 1 28 28 GLU H H 28 8.365 8.365 8.321 0.044 19085 1076 1 7 . 1 1 29 29 ALA N N 29 120.397 120.397 119.280 1.117 19085 1077 1 7 . 1 1 29 29 ALA HA H 29 4.335 4.335 4.363 -0.028 19085 1078 1 7 . 1 1 29 29 ALA CA C 29 52.561 52.561 52.173 0.388 19085 1079 1 7 . 1 1 29 29 ALA CB C 29 18.678 18.678 19.148 -0.470 19085 1080 1 7 . 1 1 29 29 ALA H H 29 7.530 7.530 7.766 -0.236 19085 1081 1 7 . 1 1 30 30 GLY N N 30 106.021 106.021 106.836 -0.815 19085 1082 1 7 . 1 1 30 30 GLY CA C 30 46.111 46.111 45.362 0.749 19085 1083 1 7 . 1 1 30 30 GLY H H 30 7.793 7.793 7.709 0.084 19085 1084 1 7 . 1 1 31 31 VAL N N 31 116.550 116.550 119.579 -3.029 19085 1085 1 7 . 1 1 31 31 VAL HA H 31 4.066 4.066 4.256 -0.190 19085 1086 1 7 . 1 1 31 31 VAL CA C 31 60.934 60.934 61.466 -0.532 19085 1087 1 7 . 1 1 31 31 VAL H H 31 6.611 6.611 7.244 -0.633 19085 1088 1 7 . 1 1 32 32 GLY N N 32 110.423 110.423 112.754 -2.331 19085 1089 1 7 . 1 1 32 32 GLY CA C 32 44.572 44.572 44.217 0.355 19085 1090 1 7 . 1 1 32 32 GLY H H 32 8.551 8.551 8.340 0.211 19085 1091 1 7 . 1 1 33 33 LEU N N 33 124.291 124.291 122.161 2.130 19085 1092 1 7 . 1 1 33 33 LEU HA H 33 3.949 3.949 4.101 -0.152 19085 1093 1 7 . 1 1 33 33 LEU CA C 33 55.823 55.823 56.009 -0.186 19085 1094 1 7 . 1 1 33 33 LEU CB C 33 43.070 43.070 43.451 -0.381 19085 1095 1 7 . 1 1 33 33 LEU H H 33 8.613 8.613 8.363 0.250 19085 1096 1 7 . 1 1 34 34 ASP N N 34 126.710 126.710 122.801 3.909 19085 1097 1 7 . 1 1 34 34 ASP HA H 34 4.789 4.789 4.659 0.130 19085 1098 1 7 . 1 1 34 34 ASP CB C 34 42.065 42.065 43.554 -1.489 19085 1099 1 7 . 1 1 34 34 ASP H H 34 9.091 9.091 8.715 0.376 19085 1100 1 7 . 1 1 35 35 HIS N N 35 106.163 106.163 118.535 -12.372 19085 1101 1 7 . 1 1 35 35 HIS HA H 35 4.822 4.822 4.941 -0.119 19085 1102 1 7 . 1 1 35 35 HIS CB C 35 30.351 30.351 32.440 -2.089 19085 1103 1 7 . 1 1 35 35 HIS H H 35 7.302 7.302 8.238 -0.936 19085 1104 1 7 . 1 1 36 36 GLU N N 36 120.636 120.636 119.773 0.863 19085 1105 1 7 . 1 1 36 36 GLU HA H 36 4.209 4.209 4.295 -0.086 19085 1106 1 7 . 1 1 36 36 GLU CA C 36 57.734 57.734 55.755 1.979 19085 1107 1 7 . 1 1 36 36 GLU CB C 36 29.241 29.241 30.870 -1.629 19085 1108 1 7 . 1 1 36 36 GLU H H 36 9.309 9.309 8.577 0.732 19085 1109 1 7 . 1 1 37 37 GLY N N 37 115.205 115.205 111.798 3.407 19085 1110 1 7 . 1 1 37 37 GLY CA C 37 44.550 44.550 44.459 0.091 19085 1111 1 7 . 1 1 37 37 GLY H H 37 8.153 8.153 8.379 -0.226 19085 1112 1 7 . 1 1 38 38 GLU N N 38 112.146 112.146 119.666 -7.520 19085 1113 1 7 . 1 1 38 38 GLU HA H 38 3.899 3.899 4.132 -0.233 19085 1114 1 7 . 1 1 38 38 GLU CA C 38 56.221 56.221 56.756 -0.535 19085 1115 1 7 . 1 1 38 38 GLU CB C 38 29.513 29.513 30.715 -1.202 19085 1116 1 7 . 1 1 38 38 GLU H H 38 8.099 8.099 8.426 -0.327 19085 1117 1 7 . 1 1 39 39 CYS N N 39 119.239 119.239 119.963 -0.724 19085 1118 1 7 . 1 1 39 39 CYS HA H 39 4.556 4.556 4.652 -0.096 19085 1119 1 7 . 1 1 39 39 CYS CB C 39 37.325 37.325 29.372 7.953 19085 1120 1 7 . 1 1 39 39 CYS H H 39 8.370 8.370 8.697 -0.327 19085 1121 1 8 . 1 1 2 2 ALA N N 2 126.951 126.951 123.712 3.239 19085 1122 1 8 . 1 1 2 2 ALA HA H 2 4.301 4.301 4.957 -0.656 19085 1123 1 8 . 1 1 2 2 ALA CA C 2 52.406 52.406 53.257 -0.851 19085 1124 1 8 . 1 1 2 2 ALA CB C 2 19.210 19.210 19.044 0.166 19085 1125 1 8 . 1 1 2 2 ALA H H 2 8.685 8.685 8.713 -0.028 19085 1126 1 8 . 1 1 3 3 ALA N N 3 124.358 124.358 123.207 1.151 19085 1127 1 8 . 1 1 3 3 ALA HA H 3 4.269 4.269 4.412 -0.143 19085 1128 1 8 . 1 1 3 3 ALA CA C 3 52.178 52.178 51.917 0.261 19085 1129 1 8 . 1 1 3 3 ALA CB C 3 19.345 19.345 19.657 -0.312 19085 1130 1 8 . 1 1 3 3 ALA H H 3 8.328 8.328 8.112 0.216 19085 1131 1 8 . 1 1 4 4 VAL N N 4 119.842 119.842 116.473 3.369 19085 1132 1 8 . 1 1 4 4 VAL HA H 4 3.949 3.949 4.173 -0.224 19085 1133 1 8 . 1 1 4 4 VAL CA C 4 62.170 62.170 62.792 -0.622 19085 1134 1 8 . 1 1 4 4 VAL CB C 4 32.626 32.626 32.405 0.221 19085 1135 1 8 . 1 1 4 4 VAL H H 4 8.107 8.107 8.013 0.094 19085 1136 1 8 . 1 1 5 5 CYS N N 5 121.502 121.502 120.431 1.071 19085 1137 1 8 . 1 1 5 5 CYS HA H 5 4.633 4.633 4.539 0.094 19085 1138 1 8 . 1 1 5 5 CYS CB C 5 35.325 35.325 28.821 6.504 19085 1139 1 8 . 1 1 5 5 CYS H H 5 7.666 7.666 7.804 -0.138 19085 1140 1 8 . 1 1 6 6 THR N N 6 109.529 109.529 116.885 -7.356 19085 1141 1 8 . 1 1 6 6 THR HA H 6 4.674 4.674 4.479 0.195 19085 1142 1 8 . 1 1 6 6 THR H H 6 8.411 8.411 8.140 0.271 19085 1143 1 8 . 1 1 7 7 THR N N 7 112.520 112.520 111.399 1.121 19085 1144 1 8 . 1 1 7 7 THR HA H 7 4.729 4.729 4.296 0.433 19085 1145 1 8 . 1 1 7 7 THR H H 7 8.362 8.362 8.244 0.118 19085 1146 1 8 . 1 1 8 8 GLU N N 8 123.121 123.121 122.416 0.705 19085 1147 1 8 . 1 1 8 8 GLU HA H 8 4.138 4.138 4.349 -0.211 19085 1148 1 8 . 1 1 8 8 GLU CA C 8 57.299 57.299 55.272 2.027 19085 1149 1 8 . 1 1 8 8 GLU CB C 8 29.033 29.033 30.296 -1.263 19085 1150 1 8 . 1 1 8 8 GLU H H 8 7.885 7.885 7.758 0.127 19085 1151 1 8 . 1 1 9 9 TRP N N 9 126.973 126.973 128.387 -1.414 19085 1152 1 8 . 1 1 9 9 TRP HA H 9 4.938 4.938 4.448 0.490 19085 1153 1 8 . 1 1 9 9 TRP CB C 9 29.305 29.305 29.567 -0.262 19085 1154 1 8 . 1 1 9 9 TRP H H 9 8.799 8.799 8.570 0.229 19085 1155 1 8 . 1 1 10 10 ASP N N 10 126.641 126.641 128.942 -2.301 19085 1156 1 8 . 1 1 10 10 ASP HA H 10 4.656 4.656 4.671 -0.015 19085 1157 1 8 . 1 1 10 10 ASP CA C 10 50.047 50.047 50.630 -0.583 19085 1158 1 8 . 1 1 10 10 ASP CB C 10 38.489 38.489 41.731 -3.242 19085 1159 1 8 . 1 1 10 10 ASP H H 10 8.790 8.790 7.845 0.945 19085 1160 1 8 . 1 1 11 11 PRO HA H 11 4.054 4.054 4.717 -0.663 19085 1161 1 8 . 1 1 11 11 PRO CA C 11 62.749 62.749 62.257 0.492 19085 1162 1 8 . 1 1 11 11 PRO CB C 11 33.189 33.189 31.823 1.366 19085 1163 1 8 . 1 1 12 12 VAL N N 12 110.024 110.024 116.587 -6.563 19085 1164 1 8 . 1 1 12 12 VAL HA H 12 4.447 4.447 4.669 -0.222 19085 1165 1 8 . 1 1 12 12 VAL H H 12 8.078 8.078 8.437 -0.359 19085 1166 1 8 . 1 1 13 13 CYS N N 13 120.371 120.371 120.337 0.034 19085 1167 1 8 . 1 1 13 13 CYS HA H 13 5.222 5.222 5.628 -0.406 19085 1168 1 8 . 1 1 13 13 CYS CA C 13 53.837 53.837 57.052 -3.215 19085 1169 1 8 . 1 1 13 13 CYS CB C 13 38.384 38.384 30.363 8.021 19085 1170 1 8 . 1 1 13 13 CYS H H 13 8.431 8.431 8.789 -0.358 19085 1171 1 8 . 1 1 14 14 GLY N N 14 116.333 116.333 113.344 2.989 19085 1172 1 8 . 1 1 14 14 GLY CA C 14 45.741 45.741 44.281 1.460 19085 1173 1 8 . 1 1 14 14 GLY H H 14 9.577 9.577 9.147 0.430 19085 1174 1 8 . 1 1 15 15 LYS N N 15 122.042 122.042 118.990 3.052 19085 1175 1 8 . 1 1 15 15 LYS HA H 15 4.004 4.004 4.271 -0.267 19085 1176 1 8 . 1 1 15 15 LYS CA C 15 59.084 59.084 58.230 0.854 19085 1177 1 8 . 1 1 15 15 LYS CB C 15 32.259 32.259 32.586 -0.327 19085 1178 1 8 . 1 1 15 15 LYS H H 15 8.838 8.838 8.335 0.503 19085 1179 1 8 . 1 1 16 16 ASP N N 16 116.512 116.512 115.672 0.840 19085 1180 1 8 . 1 1 16 16 ASP HA H 16 4.405 4.405 4.629 -0.224 19085 1181 1 8 . 1 1 16 16 ASP CB C 16 39.824 39.824 39.343 0.481 19085 1182 1 8 . 1 1 16 16 ASP H H 16 8.354 8.354 7.957 0.397 19085 1183 1 8 . 1 1 17 17 GLY N N 17 108.685 108.685 109.015 -0.330 19085 1184 1 8 . 1 1 17 17 GLY CA C 17 45.730 45.730 45.582 0.148 19085 1185 1 8 . 1 1 17 17 GLY H H 17 8.215 8.215 7.919 0.296 19085 1186 1 8 . 1 1 18 18 LYS N N 18 121.419 121.419 121.707 -0.288 19085 1187 1 8 . 1 1 18 18 LYS HA H 18 4.396 4.396 4.371 0.025 19085 1188 1 8 . 1 1 18 18 LYS CA C 18 54.813 54.813 55.540 -0.727 19085 1189 1 8 . 1 1 18 18 LYS CB C 18 33.625 33.625 33.287 0.338 19085 1190 1 8 . 1 1 18 18 LYS H H 18 7.827 7.827 8.180 -0.353 19085 1191 1 8 . 1 1 19 19 THR N N 19 121.800 121.800 118.957 2.843 19085 1192 1 8 . 1 1 19 19 THR HA H 19 4.843 4.843 4.789 0.054 19085 1193 1 8 . 1 1 19 19 THR CB C 19 69.515 69.515 69.390 0.125 19085 1194 1 8 . 1 1 19 19 THR H H 19 8.344 8.344 8.408 -0.064 19085 1195 1 8 . 1 1 20 20 TYR N N 20 127.910 127.910 126.629 1.281 19085 1196 1 8 . 1 1 20 20 TYR HA H 20 4.508 4.508 4.880 -0.372 19085 1197 1 8 . 1 1 20 20 TYR CB C 20 41.681 41.681 40.781 0.901 19085 1198 1 8 . 1 1 20 20 TYR H H 20 9.355 9.355 9.262 0.093 19085 1199 1 8 . 1 1 21 21 SER N N 21 116.849 116.849 118.220 -1.371 19085 1200 1 8 . 1 1 21 21 SER HA H 21 3.804 3.804 4.076 -0.272 19085 1201 1 8 . 1 1 21 21 SER CA C 21 61.968 61.968 60.688 1.280 19085 1202 1 8 . 1 1 21 21 SER CB C 21 63.517 63.517 63.566 -0.049 19085 1203 1 8 . 1 1 21 21 SER H H 21 9.035 9.035 9.030 0.005 19085 1204 1 8 . 1 1 22 22 ASN N N 22 105.634 105.634 116.954 -11.320 19085 1205 1 8 . 1 1 22 22 ASN HA H 22 4.813 4.813 4.880 -0.067 19085 1206 1 8 . 1 1 22 22 ASN CB C 22 40.080 40.080 39.448 0.632 19085 1207 1 8 . 1 1 22 22 ASN H H 22 7.344 7.344 7.846 -0.502 19085 1208 1 8 . 1 1 23 23 LEU N N 23 118.802 118.802 120.247 -1.445 19085 1209 1 8 . 1 1 23 23 LEU HA H 23 3.857 3.857 4.146 -0.289 19085 1210 1 8 . 1 1 23 23 LEU CA C 23 57.560 57.560 57.226 0.334 19085 1211 1 8 . 1 1 23 23 LEU CB C 23 42.864 42.864 41.745 1.119 19085 1212 1 8 . 1 1 23 23 LEU H H 23 8.832 8.832 8.479 0.353 19085 1213 1 8 . 1 1 24 24 CYS N N 24 119.567 119.567 120.429 -0.862 19085 1214 1 8 . 1 1 24 24 CYS HA H 24 4.139 4.139 3.926 0.213 19085 1215 1 8 . 1 1 24 24 CYS CA C 24 60.622 60.622 62.531 -1.909 19085 1216 1 8 . 1 1 24 24 CYS CB C 24 35.293 35.293 25.217 10.076 19085 1217 1 8 . 1 1 24 24 CYS H H 24 8.180 8.180 7.731 0.449 19085 1218 1 8 . 1 1 25 25 TRP N N 25 120.561 120.561 120.364 0.197 19085 1219 1 8 . 1 1 25 25 TRP HA H 25 4.340 4.340 4.365 -0.025 19085 1220 1 8 . 1 1 25 25 TRP CB C 25 30.325 30.325 29.338 0.987 19085 1221 1 8 . 1 1 25 25 TRP H H 25 7.587 7.587 8.497 -0.910 19085 1222 1 8 . 1 1 26 26 LEU N N 26 122.581 122.581 121.249 1.332 19085 1223 1 8 . 1 1 26 26 LEU HA H 26 2.935 2.935 2.790 0.145 19085 1224 1 8 . 1 1 26 26 LEU CA C 26 58.635 58.635 57.553 1.082 19085 1225 1 8 . 1 1 26 26 LEU CB C 26 41.365 41.365 41.147 0.218 19085 1226 1 8 . 1 1 26 26 LEU H H 26 7.312 7.312 7.464 -0.152 19085 1227 1 8 . 1 1 27 27 ASN N N 27 117.645 117.645 117.167 0.478 19085 1228 1 8 . 1 1 27 27 ASN HA H 27 4.411 4.411 4.284 0.127 19085 1229 1 8 . 1 1 27 27 ASN CB C 27 37.644 37.644 38.808 -1.164 19085 1230 1 8 . 1 1 27 27 ASN H H 27 8.444 8.444 8.143 0.301 19085 1231 1 8 . 1 1 28 28 GLU N N 28 121.101 121.101 118.835 2.266 19085 1232 1 8 . 1 1 28 28 GLU HA H 28 4.017 4.017 4.138 -0.121 19085 1233 1 8 . 1 1 28 28 GLU CA C 28 58.804 58.804 58.520 0.284 19085 1234 1 8 . 1 1 28 28 GLU CB C 28 28.166 28.166 29.418 -1.252 19085 1235 1 8 . 1 1 28 28 GLU H H 28 8.365 8.365 8.262 0.103 19085 1236 1 8 . 1 1 29 29 ALA N N 29 120.397 120.397 118.808 1.589 19085 1237 1 8 . 1 1 29 29 ALA HA H 29 4.335 4.335 4.320 0.015 19085 1238 1 8 . 1 1 29 29 ALA CA C 29 52.561 52.561 52.348 0.213 19085 1239 1 8 . 1 1 29 29 ALA CB C 29 18.678 18.678 18.945 -0.267 19085 1240 1 8 . 1 1 29 29 ALA H H 29 7.530 7.530 7.677 -0.147 19085 1241 1 8 . 1 1 30 30 GLY N N 30 106.021 106.021 108.099 -2.078 19085 1242 1 8 . 1 1 30 30 GLY CA C 30 46.111 46.111 45.466 0.645 19085 1243 1 8 . 1 1 30 30 GLY H H 30 7.793 7.793 7.678 0.115 19085 1244 1 8 . 1 1 31 31 VAL N N 31 116.550 116.550 120.112 -3.562 19085 1245 1 8 . 1 1 31 31 VAL HA H 31 4.066 4.066 4.165 -0.099 19085 1246 1 8 . 1 1 31 31 VAL CA C 31 60.934 60.934 62.068 -1.134 19085 1247 1 8 . 1 1 31 31 VAL H H 31 6.611 6.611 7.162 -0.551 19085 1248 1 8 . 1 1 32 32 GLY N N 32 110.423 110.423 112.752 -2.329 19085 1249 1 8 . 1 1 32 32 GLY CA C 32 44.572 44.572 44.180 0.392 19085 1250 1 8 . 1 1 32 32 GLY H H 32 8.551 8.551 8.287 0.264 19085 1251 1 8 . 1 1 33 33 LEU N N 33 124.291 124.291 123.350 0.941 19085 1252 1 8 . 1 1 33 33 LEU HA H 33 3.949 3.949 4.059 -0.110 19085 1253 1 8 . 1 1 33 33 LEU CA C 33 55.823 55.823 55.876 -0.053 19085 1254 1 8 . 1 1 33 33 LEU CB C 33 43.070 43.070 43.264 -0.194 19085 1255 1 8 . 1 1 33 33 LEU H H 33 8.613 8.613 8.335 0.278 19085 1256 1 8 . 1 1 34 34 ASP N N 34 126.710 126.710 126.698 0.012 19085 1257 1 8 . 1 1 34 34 ASP HA H 34 4.789 4.789 4.695 0.094 19085 1258 1 8 . 1 1 34 34 ASP CB C 34 42.065 42.065 42.984 -0.919 19085 1259 1 8 . 1 1 34 34 ASP H H 34 9.091 9.091 8.901 0.190 19085 1260 1 8 . 1 1 35 35 HIS N N 35 106.163 106.163 118.653 -12.490 19085 1261 1 8 . 1 1 35 35 HIS HA H 35 4.822 4.822 4.942 -0.120 19085 1262 1 8 . 1 1 35 35 HIS CB C 35 30.351 30.351 32.166 -1.815 19085 1263 1 8 . 1 1 35 35 HIS H H 35 7.302 7.302 8.216 -0.914 19085 1264 1 8 . 1 1 36 36 GLU N N 36 120.636 120.636 120.034 0.602 19085 1265 1 8 . 1 1 36 36 GLU HA H 36 4.209 4.209 4.342 -0.133 19085 1266 1 8 . 1 1 36 36 GLU CA C 36 57.734 57.734 55.556 2.178 19085 1267 1 8 . 1 1 36 36 GLU CB C 36 29.241 29.241 30.742 -1.501 19085 1268 1 8 . 1 1 36 36 GLU H H 36 9.309 9.309 8.544 0.765 19085 1269 1 8 . 1 1 37 37 GLY N N 37 115.205 115.205 112.727 2.478 19085 1270 1 8 . 1 1 37 37 GLY CA C 37 44.550 44.550 44.503 0.047 19085 1271 1 8 . 1 1 37 37 GLY H H 37 8.153 8.153 8.155 -0.002 19085 1272 1 8 . 1 1 38 38 GLU N N 38 112.146 112.146 119.693 -7.547 19085 1273 1 8 . 1 1 38 38 GLU HA H 38 3.899 3.899 4.118 -0.219 19085 1274 1 8 . 1 1 38 38 GLU CA C 38 56.221 56.221 56.838 -0.617 19085 1275 1 8 . 1 1 38 38 GLU CB C 38 29.513 29.513 30.680 -1.167 19085 1276 1 8 . 1 1 38 38 GLU H H 38 8.099 8.099 8.407 -0.308 19085 1277 1 8 . 1 1 39 39 CYS N N 39 119.239 119.239 120.834 -1.595 19085 1278 1 8 . 1 1 39 39 CYS HA H 39 4.556 4.556 4.625 -0.069 19085 1279 1 8 . 1 1 39 39 CYS CB C 39 37.325 37.325 28.923 8.402 19085 1280 1 8 . 1 1 39 39 CYS H H 39 8.370 8.370 8.708 -0.338 19085 1281 1 9 . 1 1 2 2 ALA N N 2 126.951 126.951 126.216 0.735 19085 1282 1 9 . 1 1 2 2 ALA HA H 2 4.301 4.301 4.357 -0.056 19085 1283 1 9 . 1 1 2 2 ALA CA C 2 52.406 52.406 52.959 -0.553 19085 1284 1 9 . 1 1 2 2 ALA CB C 2 19.210 19.210 19.404 -0.194 19085 1285 1 9 . 1 1 2 2 ALA H H 2 8.685 8.685 8.451 0.234 19085 1286 1 9 . 1 1 3 3 ALA N N 3 124.358 124.358 118.531 5.827 19085 1287 1 9 . 1 1 3 3 ALA HA H 3 4.269 4.269 4.320 -0.051 19085 1288 1 9 . 1 1 3 3 ALA CA C 3 52.178 52.178 52.127 0.051 19085 1289 1 9 . 1 1 3 3 ALA CB C 3 19.345 19.345 20.130 -0.785 19085 1290 1 9 . 1 1 3 3 ALA H H 3 8.328 8.328 7.314 1.014 19085 1291 1 9 . 1 1 4 4 VAL N N 4 119.842 119.842 114.546 5.296 19085 1292 1 9 . 1 1 4 4 VAL HA H 4 3.949 3.949 4.315 -0.366 19085 1293 1 9 . 1 1 4 4 VAL CA C 4 62.170 62.170 62.709 -0.539 19085 1294 1 9 . 1 1 4 4 VAL CB C 4 32.626 32.626 32.353 0.273 19085 1295 1 9 . 1 1 4 4 VAL H H 4 8.107 8.107 8.241 -0.134 19085 1296 1 9 . 1 1 5 5 CYS N N 5 121.502 121.502 119.976 1.526 19085 1297 1 9 . 1 1 5 5 CYS HA H 5 4.633 4.633 4.723 -0.090 19085 1298 1 9 . 1 1 5 5 CYS CB C 5 35.325 35.325 29.855 5.470 19085 1299 1 9 . 1 1 5 5 CYS H H 5 7.666 7.666 7.564 0.102 19085 1300 1 9 . 1 1 6 6 THR N N 6 109.529 109.529 111.401 -1.872 19085 1301 1 9 . 1 1 6 6 THR HA H 6 4.674 4.674 4.582 0.092 19085 1302 1 9 . 1 1 6 6 THR H H 6 8.411 8.411 8.137 0.274 19085 1303 1 9 . 1 1 7 7 THR N N 7 112.520 112.520 111.536 0.984 19085 1304 1 9 . 1 1 7 7 THR HA H 7 4.729 4.729 4.370 0.359 19085 1305 1 9 . 1 1 7 7 THR H H 7 8.362 8.362 8.476 -0.114 19085 1306 1 9 . 1 1 8 8 GLU N N 8 123.121 123.121 121.147 1.974 19085 1307 1 9 . 1 1 8 8 GLU HA H 8 4.138 4.138 4.370 -0.232 19085 1308 1 9 . 1 1 8 8 GLU CA C 8 57.299 57.299 56.090 1.208 19085 1309 1 9 . 1 1 8 8 GLU CB C 8 29.033 29.033 30.032 -0.999 19085 1310 1 9 . 1 1 8 8 GLU H H 8 7.885 7.885 7.778 0.107 19085 1311 1 9 . 1 1 9 9 TRP N N 9 126.973 126.973 127.406 -0.433 19085 1312 1 9 . 1 1 9 9 TRP HA H 9 4.938 4.938 4.648 0.290 19085 1313 1 9 . 1 1 9 9 TRP CB C 9 29.305 29.305 29.387 -0.082 19085 1314 1 9 . 1 1 9 9 TRP H H 9 8.799 8.799 8.525 0.274 19085 1315 1 9 . 1 1 10 10 ASP N N 10 126.641 126.641 129.449 -2.808 19085 1316 1 9 . 1 1 10 10 ASP HA H 10 4.656 4.656 4.774 -0.118 19085 1317 1 9 . 1 1 10 10 ASP CA C 10 50.047 50.047 50.913 -0.866 19085 1318 1 9 . 1 1 10 10 ASP CB C 10 38.489 38.489 41.962 -3.473 19085 1319 1 9 . 1 1 10 10 ASP H H 10 8.790 8.790 7.806 0.984 19085 1320 1 9 . 1 1 11 11 PRO HA H 11 4.054 4.054 4.648 -0.594 19085 1321 1 9 . 1 1 11 11 PRO CA C 11 62.749 62.749 62.363 0.386 19085 1322 1 9 . 1 1 11 11 PRO CB C 11 33.189 33.189 31.953 1.236 19085 1323 1 9 . 1 1 12 12 VAL N N 12 110.024 110.024 116.393 -6.369 19085 1324 1 9 . 1 1 12 12 VAL HA H 12 4.447 4.447 4.710 -0.263 19085 1325 1 9 . 1 1 12 12 VAL H H 12 8.078 8.078 8.477 -0.399 19085 1326 1 9 . 1 1 13 13 CYS N N 13 120.371 120.371 120.121 0.250 19085 1327 1 9 . 1 1 13 13 CYS HA H 13 5.222 5.222 5.649 -0.427 19085 1328 1 9 . 1 1 13 13 CYS CA C 13 53.837 53.837 57.004 -3.167 19085 1329 1 9 . 1 1 13 13 CYS CB C 13 38.384 38.384 30.456 7.928 19085 1330 1 9 . 1 1 13 13 CYS H H 13 8.431 8.431 8.916 -0.485 19085 1331 1 9 . 1 1 14 14 GLY N N 14 116.333 116.333 113.454 2.879 19085 1332 1 9 . 1 1 14 14 GLY CA C 14 45.741 45.741 44.463 1.278 19085 1333 1 9 . 1 1 14 14 GLY H H 14 9.577 9.577 9.185 0.392 19085 1334 1 9 . 1 1 15 15 LYS N N 15 122.042 122.042 119.487 2.555 19085 1335 1 9 . 1 1 15 15 LYS HA H 15 4.004 4.004 4.224 -0.220 19085 1336 1 9 . 1 1 15 15 LYS CA C 15 59.084 59.084 58.595 0.489 19085 1337 1 9 . 1 1 15 15 LYS CB C 15 32.259 32.259 32.577 -0.318 19085 1338 1 9 . 1 1 15 15 LYS H H 15 8.838 8.838 8.325 0.513 19085 1339 1 9 . 1 1 16 16 ASP N N 16 116.512 116.512 115.246 1.266 19085 1340 1 9 . 1 1 16 16 ASP HA H 16 4.405 4.405 4.645 -0.240 19085 1341 1 9 . 1 1 16 16 ASP CB C 16 39.824 39.824 39.353 0.471 19085 1342 1 9 . 1 1 16 16 ASP H H 16 8.354 8.354 7.867 0.487 19085 1343 1 9 . 1 1 17 17 GLY N N 17 108.685 108.685 108.484 0.201 19085 1344 1 9 . 1 1 17 17 GLY CA C 17 45.730 45.730 45.477 0.253 19085 1345 1 9 . 1 1 17 17 GLY H H 17 8.215 8.215 7.864 0.351 19085 1346 1 9 . 1 1 18 18 LYS N N 18 121.419 121.419 121.812 -0.393 19085 1347 1 9 . 1 1 18 18 LYS HA H 18 4.396 4.396 4.385 0.011 19085 1348 1 9 . 1 1 18 18 LYS CA C 18 54.813 54.813 54.965 -0.152 19085 1349 1 9 . 1 1 18 18 LYS CB C 18 33.625 33.625 32.689 0.936 19085 1350 1 9 . 1 1 18 18 LYS H H 18 7.827 7.827 7.982 -0.155 19085 1351 1 9 . 1 1 19 19 THR N N 19 121.800 121.800 118.837 2.963 19085 1352 1 9 . 1 1 19 19 THR HA H 19 4.843 4.843 4.729 0.114 19085 1353 1 9 . 1 1 19 19 THR CB C 19 69.515 69.515 69.066 0.449 19085 1354 1 9 . 1 1 19 19 THR H H 19 8.344 8.344 8.341 0.003 19085 1355 1 9 . 1 1 20 20 TYR N N 20 127.910 127.910 125.960 1.950 19085 1356 1 9 . 1 1 20 20 TYR HA H 20 4.508 4.508 4.807 -0.299 19085 1357 1 9 . 1 1 20 20 TYR CB C 20 41.681 41.681 40.660 1.021 19085 1358 1 9 . 1 1 20 20 TYR H H 20 9.355 9.355 9.175 0.180 19085 1359 1 9 . 1 1 21 21 SER N N 21 116.849 116.849 117.939 -1.090 19085 1360 1 9 . 1 1 21 21 SER HA H 21 3.804 3.804 4.070 -0.266 19085 1361 1 9 . 1 1 21 21 SER CA C 21 61.968 61.968 60.586 1.382 19085 1362 1 9 . 1 1 21 21 SER CB C 21 63.517 63.517 63.513 0.004 19085 1363 1 9 . 1 1 21 21 SER H H 21 9.035 9.035 8.878 0.157 19085 1364 1 9 . 1 1 22 22 ASN N N 22 105.634 105.634 118.650 -13.016 19085 1365 1 9 . 1 1 22 22 ASN HA H 22 4.813 4.813 4.992 -0.179 19085 1366 1 9 . 1 1 22 22 ASN CB C 22 40.080 40.080 40.400 -0.320 19085 1367 1 9 . 1 1 22 22 ASN H H 22 7.344 7.344 8.211 -0.867 19085 1368 1 9 . 1 1 23 23 LEU N N 23 118.802 118.802 122.318 -3.516 19085 1369 1 9 . 1 1 23 23 LEU HA H 23 3.857 3.857 4.229 -0.372 19085 1370 1 9 . 1 1 23 23 LEU CA C 23 57.560 57.560 57.264 0.296 19085 1371 1 9 . 1 1 23 23 LEU CB C 23 42.864 42.864 41.946 0.918 19085 1372 1 9 . 1 1 23 23 LEU H H 23 8.832 8.832 8.460 0.372 19085 1373 1 9 . 1 1 24 24 CYS N N 24 119.567 119.567 117.551 2.016 19085 1374 1 9 . 1 1 24 24 CYS HA H 24 4.139 4.139 4.028 0.111 19085 1375 1 9 . 1 1 24 24 CYS CA C 24 60.622 60.622 63.409 -2.787 19085 1376 1 9 . 1 1 24 24 CYS CB C 24 35.293 35.293 25.390 9.903 19085 1377 1 9 . 1 1 24 24 CYS H H 24 8.180 8.180 7.944 0.236 19085 1378 1 9 . 1 1 25 25 TRP N N 25 120.561 120.561 120.300 0.261 19085 1379 1 9 . 1 1 25 25 TRP HA H 25 4.340 4.340 4.637 -0.297 19085 1380 1 9 . 1 1 25 25 TRP CB C 25 30.325 30.325 29.411 0.914 19085 1381 1 9 . 1 1 25 25 TRP H H 25 7.587 7.587 7.484 0.103 19085 1382 1 9 . 1 1 26 26 LEU N N 26 122.581 122.581 120.898 1.683 19085 1383 1 9 . 1 1 26 26 LEU HA H 26 2.935 2.935 2.771 0.164 19085 1384 1 9 . 1 1 26 26 LEU CA C 26 58.635 58.635 57.350 1.284 19085 1385 1 9 . 1 1 26 26 LEU CB C 26 41.365 41.365 41.209 0.156 19085 1386 1 9 . 1 1 26 26 LEU H H 26 7.312 7.312 7.508 -0.196 19085 1387 1 9 . 1 1 27 27 ASN N N 27 117.645 117.645 117.169 0.476 19085 1388 1 9 . 1 1 27 27 ASN HA H 27 4.411 4.411 4.256 0.155 19085 1389 1 9 . 1 1 27 27 ASN CB C 27 37.644 37.644 38.794 -1.150 19085 1390 1 9 . 1 1 27 27 ASN H H 27 8.444 8.444 8.296 0.148 19085 1391 1 9 . 1 1 28 28 GLU N N 28 121.101 121.101 119.078 2.023 19085 1392 1 9 . 1 1 28 28 GLU HA H 28 4.017 4.017 4.048 -0.031 19085 1393 1 9 . 1 1 28 28 GLU CA C 28 58.804 58.804 58.501 0.303 19085 1394 1 9 . 1 1 28 28 GLU CB C 28 28.166 28.166 29.711 -1.545 19085 1395 1 9 . 1 1 28 28 GLU H H 28 8.365 8.365 8.041 0.324 19085 1396 1 9 . 1 1 29 29 ALA N N 29 120.397 120.397 119.471 0.926 19085 1397 1 9 . 1 1 29 29 ALA HA H 29 4.335 4.335 4.318 0.017 19085 1398 1 9 . 1 1 29 29 ALA CA C 29 52.561 52.561 52.656 -0.095 19085 1399 1 9 . 1 1 29 29 ALA CB C 29 18.678 18.678 18.879 -0.201 19085 1400 1 9 . 1 1 29 29 ALA H H 29 7.530 7.530 7.477 0.053 19085 1401 1 9 . 1 1 30 30 GLY N N 30 106.021 106.021 107.364 -1.343 19085 1402 1 9 . 1 1 30 30 GLY CA C 30 46.111 46.111 45.400 0.711 19085 1403 1 9 . 1 1 30 30 GLY H H 30 7.793 7.793 7.436 0.357 19085 1404 1 9 . 1 1 31 31 VAL N N 31 116.550 116.550 120.632 -4.082 19085 1405 1 9 . 1 1 31 31 VAL HA H 31 4.066 4.066 4.098 -0.032 19085 1406 1 9 . 1 1 31 31 VAL CA C 31 60.934 60.934 62.688 -1.754 19085 1407 1 9 . 1 1 31 31 VAL H H 31 6.611 6.611 7.159 -0.548 19085 1408 1 9 . 1 1 32 32 GLY N N 32 110.423 110.423 112.953 -2.530 19085 1409 1 9 . 1 1 32 32 GLY CA C 32 44.572 44.572 44.281 0.291 19085 1410 1 9 . 1 1 32 32 GLY H H 32 8.551 8.551 8.306 0.245 19085 1411 1 9 . 1 1 33 33 LEU N N 33 124.291 124.291 122.177 2.114 19085 1412 1 9 . 1 1 33 33 LEU HA H 33 3.949 3.949 4.129 -0.180 19085 1413 1 9 . 1 1 33 33 LEU CA C 33 55.823 55.823 56.127 -0.304 19085 1414 1 9 . 1 1 33 33 LEU CB C 33 43.070 43.070 42.980 0.090 19085 1415 1 9 . 1 1 33 33 LEU H H 33 8.613 8.613 8.308 0.305 19085 1416 1 9 . 1 1 34 34 ASP N N 34 126.710 126.710 123.773 2.937 19085 1417 1 9 . 1 1 34 34 ASP HA H 34 4.789 4.789 4.630 0.159 19085 1418 1 9 . 1 1 34 34 ASP CB C 34 42.065 42.065 43.311 -1.246 19085 1419 1 9 . 1 1 34 34 ASP H H 34 9.091 9.091 8.536 0.555 19085 1420 1 9 . 1 1 35 35 HIS N N 35 106.163 106.163 118.739 -12.576 19085 1421 1 9 . 1 1 35 35 HIS HA H 35 4.822 4.822 4.941 -0.119 19085 1422 1 9 . 1 1 35 35 HIS CB C 35 30.351 30.351 32.235 -1.884 19085 1423 1 9 . 1 1 35 35 HIS H H 35 7.302 7.302 8.165 -0.863 19085 1424 1 9 . 1 1 36 36 GLU N N 36 120.636 120.636 120.613 0.023 19085 1425 1 9 . 1 1 36 36 GLU HA H 36 4.209 4.209 4.339 -0.130 19085 1426 1 9 . 1 1 36 36 GLU CA C 36 57.734 57.734 55.725 2.009 19085 1427 1 9 . 1 1 36 36 GLU CB C 36 29.241 29.241 31.386 -2.145 19085 1428 1 9 . 1 1 36 36 GLU H H 36 9.309 9.309 8.726 0.583 19085 1429 1 9 . 1 1 37 37 GLY N N 37 115.205 115.205 111.990 3.215 19085 1430 1 9 . 1 1 37 37 GLY CA C 37 44.550 44.550 44.440 0.110 19085 1431 1 9 . 1 1 37 37 GLY H H 37 8.153 8.153 8.416 -0.263 19085 1432 1 9 . 1 1 38 38 GLU N N 38 112.146 112.146 119.608 -7.462 19085 1433 1 9 . 1 1 38 38 GLU HA H 38 3.899 3.899 4.093 -0.194 19085 1434 1 9 . 1 1 38 38 GLU CA C 38 56.221 56.221 56.804 -0.583 19085 1435 1 9 . 1 1 38 38 GLU CB C 38 29.513 29.513 30.669 -1.156 19085 1436 1 9 . 1 1 38 38 GLU H H 38 8.099 8.099 8.429 -0.330 19085 1437 1 9 . 1 1 39 39 CYS N N 39 119.239 119.239 119.838 -0.599 19085 1438 1 9 . 1 1 39 39 CYS HA H 39 4.556 4.556 4.600 -0.044 19085 1439 1 9 . 1 1 39 39 CYS CB C 39 37.325 37.325 29.312 8.012 19085 1440 1 9 . 1 1 39 39 CYS H H 39 8.370 8.370 8.602 -0.232 19085 1441 1 10 . 1 1 2 2 ALA N N 2 126.951 126.951 122.786 4.165 19085 1442 1 10 . 1 1 2 2 ALA HA H 2 4.301 4.301 4.646 -0.345 19085 1443 1 10 . 1 1 2 2 ALA CA C 2 52.406 52.406 51.452 0.954 19085 1444 1 10 . 1 1 2 2 ALA CB C 2 19.210 19.210 20.940 -1.730 19085 1445 1 10 . 1 1 2 2 ALA H H 2 8.685 8.685 8.408 0.277 19085 1446 1 10 . 1 1 3 3 ALA N N 3 124.358 124.358 124.289 0.069 19085 1447 1 10 . 1 1 3 3 ALA HA H 3 4.269 4.269 4.375 -0.106 19085 1448 1 10 . 1 1 3 3 ALA CA C 3 52.178 52.178 52.001 0.177 19085 1449 1 10 . 1 1 3 3 ALA CB C 3 19.345 19.345 18.797 0.548 19085 1450 1 10 . 1 1 3 3 ALA H H 3 8.328 8.328 8.156 0.172 19085 1451 1 10 . 1 1 4 4 VAL N N 4 119.842 119.842 119.948 -0.106 19085 1452 1 10 . 1 1 4 4 VAL HA H 4 3.949 3.949 4.363 -0.414 19085 1453 1 10 . 1 1 4 4 VAL CA C 4 62.170 62.170 61.613 0.557 19085 1454 1 10 . 1 1 4 4 VAL CB C 4 32.626 32.626 31.320 1.306 19085 1455 1 10 . 1 1 4 4 VAL H H 4 8.107 8.107 8.136 -0.029 19085 1456 1 10 . 1 1 5 5 CYS N N 5 121.502 121.502 119.783 1.719 19085 1457 1 10 . 1 1 5 5 CYS HA H 5 4.633 4.633 4.675 -0.042 19085 1458 1 10 . 1 1 5 5 CYS CB C 5 35.325 35.325 28.127 7.198 19085 1459 1 10 . 1 1 5 5 CYS H H 5 7.666 7.666 7.964 -0.298 19085 1460 1 10 . 1 1 6 6 THR N N 6 109.529 109.529 112.608 -3.079 19085 1461 1 10 . 1 1 6 6 THR HA H 6 4.674 4.674 4.347 0.327 19085 1462 1 10 . 1 1 6 6 THR H H 6 8.411 8.411 7.736 0.675 19085 1463 1 10 . 1 1 7 7 THR N N 7 112.520 112.520 110.366 2.154 19085 1464 1 10 . 1 1 7 7 THR HA H 7 4.729 4.729 4.213 0.516 19085 1465 1 10 . 1 1 7 7 THR H H 7 8.362 8.362 8.232 0.130 19085 1466 1 10 . 1 1 8 8 GLU N N 8 123.121 123.121 122.654 0.467 19085 1467 1 10 . 1 1 8 8 GLU HA H 8 4.138 4.138 4.279 -0.141 19085 1468 1 10 . 1 1 8 8 GLU CA C 8 57.299 57.299 56.147 1.152 19085 1469 1 10 . 1 1 8 8 GLU CB C 8 29.033 29.033 30.301 -1.268 19085 1470 1 10 . 1 1 8 8 GLU H H 8 7.885 7.885 7.351 0.534 19085 1471 1 10 . 1 1 9 9 TRP N N 9 126.973 126.973 127.914 -0.941 19085 1472 1 10 . 1 1 9 9 TRP HA H 9 4.938 4.938 4.457 0.481 19085 1473 1 10 . 1 1 9 9 TRP CB C 9 29.305 29.305 29.250 0.056 19085 1474 1 10 . 1 1 9 9 TRP H H 9 8.799 8.799 8.497 0.302 19085 1475 1 10 . 1 1 10 10 ASP N N 10 126.641 126.641 128.303 -1.662 19085 1476 1 10 . 1 1 10 10 ASP HA H 10 4.656 4.656 4.841 -0.185 19085 1477 1 10 . 1 1 10 10 ASP CA C 10 50.047 50.047 50.147 -0.100 19085 1478 1 10 . 1 1 10 10 ASP CB C 10 38.489 38.489 42.672 -4.183 19085 1479 1 10 . 1 1 10 10 ASP H H 10 8.790 8.790 8.009 0.781 19085 1480 1 10 . 1 1 11 11 PRO HA H 11 4.054 4.054 4.620 -0.566 19085 1481 1 10 . 1 1 11 11 PRO CA C 11 62.749 62.749 62.338 0.411 19085 1482 1 10 . 1 1 11 11 PRO CB C 11 33.189 33.189 31.839 1.350 19085 1483 1 10 . 1 1 12 12 VAL N N 12 110.024 110.024 115.092 -5.068 19085 1484 1 10 . 1 1 12 12 VAL HA H 12 4.447 4.447 4.886 -0.440 19085 1485 1 10 . 1 1 12 12 VAL H H 12 8.078 8.078 8.359 -0.281 19085 1486 1 10 . 1 1 13 13 CYS N N 13 120.371 120.371 120.521 -0.150 19085 1487 1 10 . 1 1 13 13 CYS HA H 13 5.222 5.222 5.490 -0.268 19085 1488 1 10 . 1 1 13 13 CYS CA C 13 53.837 53.837 57.163 -3.326 19085 1489 1 10 . 1 1 13 13 CYS CB C 13 38.384 38.384 29.709 8.675 19085 1490 1 10 . 1 1 13 13 CYS H H 13 8.431 8.431 8.848 -0.417 19085 1491 1 10 . 1 1 14 14 GLY N N 14 116.333 116.333 113.754 2.579 19085 1492 1 10 . 1 1 14 14 GLY CA C 14 45.741 45.741 44.272 1.469 19085 1493 1 10 . 1 1 14 14 GLY H H 14 9.577 9.577 9.195 0.382 19085 1494 1 10 . 1 1 15 15 LYS N N 15 122.042 122.042 119.650 2.392 19085 1495 1 10 . 1 1 15 15 LYS HA H 15 4.004 4.004 4.171 -0.167 19085 1496 1 10 . 1 1 15 15 LYS CA C 15 59.084 59.084 58.667 0.417 19085 1497 1 10 . 1 1 15 15 LYS CB C 15 32.259 32.259 32.481 -0.222 19085 1498 1 10 . 1 1 15 15 LYS H H 15 8.838 8.838 8.451 0.387 19085 1499 1 10 . 1 1 16 16 ASP N N 16 116.512 116.512 116.516 -0.004 19085 1500 1 10 . 1 1 16 16 ASP HA H 16 4.405 4.405 4.630 -0.225 19085 1501 1 10 . 1 1 16 16 ASP CB C 16 39.824 39.824 40.011 -0.187 19085 1502 1 10 . 1 1 16 16 ASP H H 16 8.354 8.354 7.973 0.381 19085 1503 1 10 . 1 1 17 17 GLY N N 17 108.685 108.685 106.542 2.143 19085 1504 1 10 . 1 1 17 17 GLY CA C 17 45.730 45.730 45.782 -0.052 19085 1505 1 10 . 1 1 17 17 GLY H H 17 8.215 8.215 7.884 0.331 19085 1506 1 10 . 1 1 18 18 LYS N N 18 121.419 121.419 119.777 1.642 19085 1507 1 10 . 1 1 18 18 LYS HA H 18 4.396 4.396 4.585 -0.189 19085 1508 1 10 . 1 1 18 18 LYS CA C 18 54.813 54.813 54.217 0.596 19085 1509 1 10 . 1 1 18 18 LYS CB C 18 33.625 33.625 33.482 0.143 19085 1510 1 10 . 1 1 18 18 LYS H H 18 7.827 7.827 8.040 -0.213 19085 1511 1 10 . 1 1 19 19 THR N N 19 121.800 121.800 118.996 2.804 19085 1512 1 10 . 1 1 19 19 THR HA H 19 4.843 4.843 4.999 -0.156 19085 1513 1 10 . 1 1 19 19 THR CB C 19 69.515 69.515 69.297 0.218 19085 1514 1 10 . 1 1 19 19 THR H H 19 8.344 8.344 8.473 -0.129 19085 1515 1 10 . 1 1 20 20 TYR N N 20 127.910 127.910 127.205 0.705 19085 1516 1 10 . 1 1 20 20 TYR HA H 20 4.508 4.508 4.789 -0.281 19085 1517 1 10 . 1 1 20 20 TYR CB C 20 41.681 41.681 40.729 0.952 19085 1518 1 10 . 1 1 20 20 TYR H H 20 9.355 9.355 9.113 0.242 19085 1519 1 10 . 1 1 21 21 SER N N 21 116.849 116.849 117.834 -0.985 19085 1520 1 10 . 1 1 21 21 SER HA H 21 3.804 3.804 4.137 -0.333 19085 1521 1 10 . 1 1 21 21 SER CA C 21 61.968 61.968 61.874 0.094 19085 1522 1 10 . 1 1 21 21 SER CB C 21 63.517 63.517 63.726 -0.209 19085 1523 1 10 . 1 1 21 21 SER H H 21 9.035 9.035 9.050 -0.015 19085 1524 1 10 . 1 1 22 22 ASN N N 22 105.634 105.634 117.048 -11.414 19085 1525 1 10 . 1 1 22 22 ASN HA H 22 4.813 4.813 4.851 -0.038 19085 1526 1 10 . 1 1 22 22 ASN CB C 22 40.080 40.080 39.705 0.376 19085 1527 1 10 . 1 1 22 22 ASN H H 22 7.344 7.344 8.309 -0.965 19085 1528 1 10 . 1 1 23 23 LEU N N 23 118.802 118.802 122.052 -3.250 19085 1529 1 10 . 1 1 23 23 LEU HA H 23 3.857 3.857 4.112 -0.255 19085 1530 1 10 . 1 1 23 23 LEU CA C 23 57.560 57.560 57.431 0.129 19085 1531 1 10 . 1 1 23 23 LEU CB C 23 42.864 42.864 41.839 1.026 19085 1532 1 10 . 1 1 23 23 LEU H H 23 8.832 8.832 8.565 0.267 19085 1533 1 10 . 1 1 24 24 CYS N N 24 119.567 119.567 117.868 1.699 19085 1534 1 10 . 1 1 24 24 CYS HA H 24 4.139 4.139 4.021 0.118 19085 1535 1 10 . 1 1 24 24 CYS CA C 24 60.622 60.622 62.750 -2.128 19085 1536 1 10 . 1 1 24 24 CYS CB C 24 35.293 35.293 25.023 10.270 19085 1537 1 10 . 1 1 24 24 CYS H H 24 8.180 8.180 8.363 -0.183 19085 1538 1 10 . 1 1 25 25 TRP N N 25 120.561 120.561 119.724 0.837 19085 1539 1 10 . 1 1 25 25 TRP HA H 25 4.340 4.340 4.428 -0.088 19085 1540 1 10 . 1 1 25 25 TRP CB C 25 30.325 30.325 29.450 0.875 19085 1541 1 10 . 1 1 25 25 TRP H H 25 7.587 7.587 7.496 0.091 19085 1542 1 10 . 1 1 26 26 LEU N N 26 122.581 122.581 121.131 1.450 19085 1543 1 10 . 1 1 26 26 LEU HA H 26 2.935 2.935 2.881 0.054 19085 1544 1 10 . 1 1 26 26 LEU CA C 26 58.635 58.635 57.361 1.274 19085 1545 1 10 . 1 1 26 26 LEU CB C 26 41.365 41.365 41.132 0.233 19085 1546 1 10 . 1 1 26 26 LEU H H 26 7.312 7.312 7.488 -0.176 19085 1547 1 10 . 1 1 27 27 ASN N N 27 117.645 117.645 117.508 0.137 19085 1548 1 10 . 1 1 27 27 ASN HA H 27 4.411 4.411 4.293 0.118 19085 1549 1 10 . 1 1 27 27 ASN CB C 27 37.644 37.644 38.850 -1.206 19085 1550 1 10 . 1 1 27 27 ASN H H 27 8.444 8.444 8.358 0.086 19085 1551 1 10 . 1 1 28 28 GLU N N 28 121.101 121.101 119.641 1.460 19085 1552 1 10 . 1 1 28 28 GLU HA H 28 4.017 4.017 4.150 -0.133 19085 1553 1 10 . 1 1 28 28 GLU CA C 28 58.804 58.804 58.387 0.417 19085 1554 1 10 . 1 1 28 28 GLU CB C 28 28.166 28.166 29.750 -1.584 19085 1555 1 10 . 1 1 28 28 GLU H H 28 8.365 8.365 7.938 0.427 19085 1556 1 10 . 1 1 29 29 ALA N N 29 120.397 120.397 120.018 0.379 19085 1557 1 10 . 1 1 29 29 ALA HA H 29 4.335 4.335 4.348 -0.013 19085 1558 1 10 . 1 1 29 29 ALA CA C 29 52.561 52.561 52.670 -0.109 19085 1559 1 10 . 1 1 29 29 ALA CB C 29 18.678 18.678 19.016 -0.338 19085 1560 1 10 . 1 1 29 29 ALA H H 29 7.530 7.530 7.928 -0.398 19085 1561 1 10 . 1 1 30 30 GLY N N 30 106.021 106.021 105.726 0.295 19085 1562 1 10 . 1 1 30 30 GLY CA C 30 46.111 46.111 45.382 0.729 19085 1563 1 10 . 1 1 30 30 GLY H H 30 7.793 7.793 7.571 0.222 19085 1564 1 10 . 1 1 31 31 VAL N N 31 116.550 116.550 120.919 -4.369 19085 1565 1 10 . 1 1 31 31 VAL HA H 31 4.066 4.066 4.025 0.041 19085 1566 1 10 . 1 1 31 31 VAL CA C 31 60.934 60.934 62.917 -1.983 19085 1567 1 10 . 1 1 31 31 VAL H H 31 6.611 6.611 7.213 -0.602 19085 1568 1 10 . 1 1 32 32 GLY N N 32 110.423 110.423 113.771 -3.348 19085 1569 1 10 . 1 1 32 32 GLY CA C 32 44.572 44.572 44.368 0.204 19085 1570 1 10 . 1 1 32 32 GLY H H 32 8.551 8.551 8.266 0.285 19085 1571 1 10 . 1 1 33 33 LEU N N 33 124.291 124.291 122.836 1.455 19085 1572 1 10 . 1 1 33 33 LEU HA H 33 3.949 3.949 4.161 -0.212 19085 1573 1 10 . 1 1 33 33 LEU CA C 33 55.823 55.823 56.001 -0.178 19085 1574 1 10 . 1 1 33 33 LEU CB C 33 43.070 43.070 43.297 -0.227 19085 1575 1 10 . 1 1 33 33 LEU H H 33 8.613 8.613 8.262 0.351 19085 1576 1 10 . 1 1 34 34 ASP N N 34 126.710 126.710 124.003 2.707 19085 1577 1 10 . 1 1 34 34 ASP HA H 34 4.789 4.789 4.778 0.011 19085 1578 1 10 . 1 1 34 34 ASP CB C 34 42.065 42.065 43.335 -1.270 19085 1579 1 10 . 1 1 34 34 ASP H H 34 9.091 9.091 8.564 0.527 19085 1580 1 10 . 1 1 35 35 HIS N N 35 106.163 106.163 118.696 -12.533 19085 1581 1 10 . 1 1 35 35 HIS HA H 35 4.822 4.822 4.875 -0.053 19085 1582 1 10 . 1 1 35 35 HIS CB C 35 30.351 30.351 32.367 -2.017 19085 1583 1 10 . 1 1 35 35 HIS H H 35 7.302 7.302 8.236 -0.934 19085 1584 1 10 . 1 1 36 36 GLU N N 36 120.636 120.636 121.501 -0.865 19085 1585 1 10 . 1 1 36 36 GLU HA H 36 4.209 4.209 4.154 0.055 19085 1586 1 10 . 1 1 36 36 GLU CA C 36 57.734 57.734 56.236 1.498 19085 1587 1 10 . 1 1 36 36 GLU CB C 36 29.241 29.241 30.999 -1.758 19085 1588 1 10 . 1 1 36 36 GLU H H 36 9.309 9.309 8.764 0.545 19085 1589 1 10 . 1 1 37 37 GLY N N 37 115.205 115.205 111.261 3.944 19085 1590 1 10 . 1 1 37 37 GLY CA C 37 44.550 44.550 44.409 0.141 19085 1591 1 10 . 1 1 37 37 GLY H H 37 8.153 8.153 8.212 -0.059 19085 1592 1 10 . 1 1 38 38 GLU N N 38 112.146 112.146 119.122 -6.976 19085 1593 1 10 . 1 1 38 38 GLU HA H 38 3.899 3.899 4.367 -0.468 19085 1594 1 10 . 1 1 38 38 GLU CA C 38 56.221 56.221 55.076 1.145 19085 1595 1 10 . 1 1 38 38 GLU CB C 38 29.513 29.513 31.060 -1.547 19085 1596 1 10 . 1 1 38 38 GLU H H 38 8.099 8.099 8.362 -0.263 19085 1597 1 10 . 1 1 39 39 CYS N N 39 119.239 119.239 119.911 -0.672 19085 1598 1 10 . 1 1 39 39 CYS HA H 39 4.556 4.556 4.907 -0.351 19085 1599 1 10 . 1 1 39 39 CYS CB C 39 37.325 37.325 29.555 7.770 19085 1600 1 10 . 1 1 39 39 CYS H H 39 8.370 8.370 8.915 -0.545 19085 1601 1 11 . 1 1 2 2 ALA N N 2 126.951 126.951 123.154 3.797 19085 1602 1 11 . 1 1 2 2 ALA HA H 2 4.301 4.301 4.554 -0.253 19085 1603 1 11 . 1 1 2 2 ALA CA C 2 52.406 52.406 51.573 0.833 19085 1604 1 11 . 1 1 2 2 ALA CB C 2 19.210 19.210 20.201 -0.991 19085 1605 1 11 . 1 1 2 2 ALA H H 2 8.685 8.685 8.248 0.437 19085 1606 1 11 . 1 1 3 3 ALA N N 3 124.358 124.358 122.605 1.753 19085 1607 1 11 . 1 1 3 3 ALA HA H 3 4.269 4.269 4.211 0.058 19085 1608 1 11 . 1 1 3 3 ALA CA C 3 52.178 52.178 52.253 -0.075 19085 1609 1 11 . 1 1 3 3 ALA CB C 3 19.345 19.345 19.345 0.000 19085 1610 1 11 . 1 1 3 3 ALA H H 3 8.328 8.328 8.282 0.046 19085 1611 1 11 . 1 1 4 4 VAL N N 4 119.842 119.842 114.852 4.990 19085 1612 1 11 . 1 1 4 4 VAL HA H 4 3.949 3.949 4.250 -0.301 19085 1613 1 11 . 1 1 4 4 VAL CA C 4 62.170 62.170 62.047 0.122 19085 1614 1 11 . 1 1 4 4 VAL CB C 4 32.626 32.626 31.884 0.742 19085 1615 1 11 . 1 1 4 4 VAL H H 4 8.107 8.107 8.329 -0.222 19085 1616 1 11 . 1 1 5 5 CYS N N 5 121.502 121.502 122.459 -0.957 19085 1617 1 11 . 1 1 5 5 CYS HA H 5 4.633 4.633 4.531 0.102 19085 1618 1 11 . 1 1 5 5 CYS CB C 5 35.325 35.325 27.189 8.136 19085 1619 1 11 . 1 1 5 5 CYS H H 5 7.666 7.666 7.866 -0.200 19085 1620 1 11 . 1 1 6 6 THR N N 6 109.529 109.529 116.390 -6.861 19085 1621 1 11 . 1 1 6 6 THR HA H 6 4.674 4.674 4.378 0.296 19085 1622 1 11 . 1 1 6 6 THR H H 6 8.411 8.411 8.051 0.360 19085 1623 1 11 . 1 1 7 7 THR N N 7 112.520 112.520 108.627 3.893 19085 1624 1 11 . 1 1 7 7 THR HA H 7 4.729 4.729 4.482 0.247 19085 1625 1 11 . 1 1 7 7 THR H H 7 8.362 8.362 8.233 0.129 19085 1626 1 11 . 1 1 8 8 GLU N N 8 123.121 123.121 122.176 0.945 19085 1627 1 11 . 1 1 8 8 GLU HA H 8 4.138 4.138 4.223 -0.085 19085 1628 1 11 . 1 1 8 8 GLU CA C 8 57.299 57.299 55.845 1.454 19085 1629 1 11 . 1 1 8 8 GLU CB C 8 29.033 29.033 30.433 -1.400 19085 1630 1 11 . 1 1 8 8 GLU H H 8 7.885 7.885 8.034 -0.149 19085 1631 1 11 . 1 1 9 9 TRP N N 9 126.973 126.973 129.344 -2.371 19085 1632 1 11 . 1 1 9 9 TRP HA H 9 4.938 4.938 4.565 0.373 19085 1633 1 11 . 1 1 9 9 TRP CB C 9 29.305 29.305 29.235 0.070 19085 1634 1 11 . 1 1 9 9 TRP H H 9 8.799 8.799 8.734 0.065 19085 1635 1 11 . 1 1 10 10 ASP N N 10 126.641 126.641 128.392 -1.751 19085 1636 1 11 . 1 1 10 10 ASP HA H 10 4.656 4.656 4.755 -0.099 19085 1637 1 11 . 1 1 10 10 ASP CA C 10 50.047 50.047 50.623 -0.576 19085 1638 1 11 . 1 1 10 10 ASP CB C 10 38.489 38.489 42.076 -3.587 19085 1639 1 11 . 1 1 10 10 ASP H H 10 8.790 8.790 8.096 0.694 19085 1640 1 11 . 1 1 11 11 PRO HA H 11 4.054 4.054 4.860 -0.806 19085 1641 1 11 . 1 1 11 11 PRO CA C 11 62.749 62.749 62.014 0.735 19085 1642 1 11 . 1 1 11 11 PRO CB C 11 33.189 33.189 32.059 1.130 19085 1643 1 11 . 1 1 12 12 VAL N N 12 110.024 110.024 115.370 -5.346 19085 1644 1 11 . 1 1 12 12 VAL HA H 12 4.447 4.447 4.732 -0.285 19085 1645 1 11 . 1 1 12 12 VAL H H 12 8.078 8.078 8.380 -0.302 19085 1646 1 11 . 1 1 13 13 CYS N N 13 120.371 120.371 120.484 -0.113 19085 1647 1 11 . 1 1 13 13 CYS HA H 13 5.222 5.222 5.490 -0.268 19085 1648 1 11 . 1 1 13 13 CYS CA C 13 53.837 53.837 56.943 -3.106 19085 1649 1 11 . 1 1 13 13 CYS CB C 13 38.384 38.384 29.735 8.649 19085 1650 1 11 . 1 1 13 13 CYS H H 13 8.431 8.431 8.828 -0.397 19085 1651 1 11 . 1 1 14 14 GLY N N 14 116.333 116.333 113.761 2.572 19085 1652 1 11 . 1 1 14 14 GLY CA C 14 45.741 45.741 44.022 1.719 19085 1653 1 11 . 1 1 14 14 GLY H H 14 9.577 9.577 9.249 0.328 19085 1654 1 11 . 1 1 15 15 LYS N N 15 122.042 122.042 119.733 2.309 19085 1655 1 11 . 1 1 15 15 LYS HA H 15 4.004 4.004 4.080 -0.076 19085 1656 1 11 . 1 1 15 15 LYS CA C 15 59.084 59.084 58.709 0.375 19085 1657 1 11 . 1 1 15 15 LYS CB C 15 32.259 32.259 32.434 -0.175 19085 1658 1 11 . 1 1 15 15 LYS H H 15 8.838 8.838 8.522 0.316 19085 1659 1 11 . 1 1 16 16 ASP N N 16 116.512 116.512 117.348 -0.836 19085 1660 1 11 . 1 1 16 16 ASP HA H 16 4.405 4.405 4.622 -0.217 19085 1661 1 11 . 1 1 16 16 ASP CB C 16 39.824 39.824 40.595 -0.771 19085 1662 1 11 . 1 1 16 16 ASP H H 16 8.354 8.354 7.888 0.466 19085 1663 1 11 . 1 1 17 17 GLY N N 17 108.685 108.685 107.325 1.360 19085 1664 1 11 . 1 1 17 17 GLY CA C 17 45.730 45.730 45.640 0.090 19085 1665 1 11 . 1 1 17 17 GLY H H 17 8.215 8.215 7.981 0.234 19085 1666 1 11 . 1 1 18 18 LYS N N 18 121.419 121.419 119.629 1.790 19085 1667 1 11 . 1 1 18 18 LYS HA H 18 4.396 4.396 4.606 -0.210 19085 1668 1 11 . 1 1 18 18 LYS CA C 18 54.813 54.813 54.431 0.382 19085 1669 1 11 . 1 1 18 18 LYS CB C 18 33.625 33.625 35.190 -1.565 19085 1670 1 11 . 1 1 18 18 LYS H H 18 7.827 7.827 7.519 0.308 19085 1671 1 11 . 1 1 19 19 THR N N 19 121.800 121.800 118.689 3.111 19085 1672 1 11 . 1 1 19 19 THR HA H 19 4.843 4.843 4.968 -0.125 19085 1673 1 11 . 1 1 19 19 THR CB C 19 69.515 69.515 69.221 0.294 19085 1674 1 11 . 1 1 19 19 THR H H 19 8.344 8.344 8.516 -0.172 19085 1675 1 11 . 1 1 20 20 TYR N N 20 127.910 127.910 125.497 2.413 19085 1676 1 11 . 1 1 20 20 TYR HA H 20 4.508 4.508 4.827 -0.320 19085 1677 1 11 . 1 1 20 20 TYR CB C 20 41.681 41.681 40.831 0.850 19085 1678 1 11 . 1 1 20 20 TYR H H 20 9.355 9.355 9.187 0.168 19085 1679 1 11 . 1 1 21 21 SER N N 21 116.849 116.849 118.999 -2.150 19085 1680 1 11 . 1 1 21 21 SER HA H 21 3.804 3.804 4.119 -0.315 19085 1681 1 11 . 1 1 21 21 SER CA C 21 61.968 61.968 61.213 0.755 19085 1682 1 11 . 1 1 21 21 SER CB C 21 63.517 63.517 63.542 -0.025 19085 1683 1 11 . 1 1 21 21 SER H H 21 9.035 9.035 9.046 -0.011 19085 1684 1 11 . 1 1 22 22 ASN N N 22 105.634 105.634 116.638 -11.004 19085 1685 1 11 . 1 1 22 22 ASN HA H 22 4.813 4.813 5.029 -0.216 19085 1686 1 11 . 1 1 22 22 ASN CB C 22 40.080 40.080 39.772 0.308 19085 1687 1 11 . 1 1 22 22 ASN H H 22 7.344 7.344 8.123 -0.779 19085 1688 1 11 . 1 1 23 23 LEU N N 23 118.802 118.802 121.081 -2.279 19085 1689 1 11 . 1 1 23 23 LEU HA H 23 3.857 3.857 4.060 -0.203 19085 1690 1 11 . 1 1 23 23 LEU CA C 23 57.560 57.560 57.204 0.356 19085 1691 1 11 . 1 1 23 23 LEU CB C 23 42.864 42.864 41.951 0.913 19085 1692 1 11 . 1 1 23 23 LEU H H 23 8.832 8.832 8.226 0.606 19085 1693 1 11 . 1 1 24 24 CYS N N 24 119.567 119.567 118.713 0.854 19085 1694 1 11 . 1 1 24 24 CYS HA H 24 4.139 4.139 3.988 0.151 19085 1695 1 11 . 1 1 24 24 CYS CA C 24 60.622 60.622 62.067 -1.445 19085 1696 1 11 . 1 1 24 24 CYS CB C 24 35.293 35.293 25.235 10.058 19085 1697 1 11 . 1 1 24 24 CYS H H 24 8.180 8.180 8.027 0.153 19085 1698 1 11 . 1 1 25 25 TRP N N 25 120.561 120.561 120.212 0.349 19085 1699 1 11 . 1 1 25 25 TRP HA H 25 4.340 4.340 4.287 0.053 19085 1700 1 11 . 1 1 25 25 TRP CB C 25 30.325 30.325 29.224 1.101 19085 1701 1 11 . 1 1 25 25 TRP H H 25 7.587 7.587 8.959 -1.372 19085 1702 1 11 . 1 1 26 26 LEU N N 26 122.581 122.581 121.157 1.424 19085 1703 1 11 . 1 1 26 26 LEU HA H 26 2.935 2.935 2.880 0.055 19085 1704 1 11 . 1 1 26 26 LEU CA C 26 58.635 58.635 57.399 1.236 19085 1705 1 11 . 1 1 26 26 LEU CB C 26 41.365 41.365 41.091 0.274 19085 1706 1 11 . 1 1 26 26 LEU H H 26 7.312 7.312 7.473 -0.161 19085 1707 1 11 . 1 1 27 27 ASN N N 27 117.645 117.645 117.822 -0.177 19085 1708 1 11 . 1 1 27 27 ASN HA H 27 4.411 4.411 4.294 0.117 19085 1709 1 11 . 1 1 27 27 ASN CB C 27 37.644 37.644 38.653 -1.009 19085 1710 1 11 . 1 1 27 27 ASN H H 27 8.444 8.444 7.956 0.488 19085 1711 1 11 . 1 1 28 28 GLU N N 28 121.101 121.101 119.360 1.741 19085 1712 1 11 . 1 1 28 28 GLU HA H 28 4.017 4.017 4.144 -0.127 19085 1713 1 11 . 1 1 28 28 GLU CA C 28 58.804 58.804 58.538 0.266 19085 1714 1 11 . 1 1 28 28 GLU CB C 28 28.166 28.166 29.443 -1.277 19085 1715 1 11 . 1 1 28 28 GLU H H 28 8.365 8.365 8.226 0.139 19085 1716 1 11 . 1 1 29 29 ALA N N 29 120.397 120.397 119.370 1.027 19085 1717 1 11 . 1 1 29 29 ALA HA H 29 4.335 4.335 4.381 -0.046 19085 1718 1 11 . 1 1 29 29 ALA CA C 29 52.561 52.561 52.300 0.261 19085 1719 1 11 . 1 1 29 29 ALA CB C 29 18.678 18.678 19.204 -0.526 19085 1720 1 11 . 1 1 29 29 ALA H H 29 7.530 7.530 7.840 -0.310 19085 1721 1 11 . 1 1 30 30 GLY N N 30 106.021 106.021 106.820 -0.799 19085 1722 1 11 . 1 1 30 30 GLY CA C 30 46.111 46.111 45.262 0.849 19085 1723 1 11 . 1 1 30 30 GLY H H 30 7.793 7.793 7.680 0.113 19085 1724 1 11 . 1 1 31 31 VAL N N 31 116.550 116.550 119.644 -3.094 19085 1725 1 11 . 1 1 31 31 VAL HA H 31 4.066 4.066 4.159 -0.093 19085 1726 1 11 . 1 1 31 31 VAL CA C 31 60.934 60.934 61.822 -0.888 19085 1727 1 11 . 1 1 31 31 VAL H H 31 6.611 6.611 7.156 -0.545 19085 1728 1 11 . 1 1 32 32 GLY N N 32 110.423 110.423 112.159 -1.736 19085 1729 1 11 . 1 1 32 32 GLY CA C 32 44.572 44.572 44.191 0.381 19085 1730 1 11 . 1 1 32 32 GLY H H 32 8.551 8.551 8.303 0.248 19085 1731 1 11 . 1 1 33 33 LEU N N 33 124.291 124.291 122.781 1.510 19085 1732 1 11 . 1 1 33 33 LEU HA H 33 3.949 3.949 4.147 -0.198 19085 1733 1 11 . 1 1 33 33 LEU CA C 33 55.823 55.823 55.841 -0.018 19085 1734 1 11 . 1 1 33 33 LEU CB C 33 43.070 43.070 43.474 -0.404 19085 1735 1 11 . 1 1 33 33 LEU H H 33 8.613 8.613 8.205 0.408 19085 1736 1 11 . 1 1 34 34 ASP N N 34 126.710 126.710 125.857 0.853 19085 1737 1 11 . 1 1 34 34 ASP HA H 34 4.789 4.789 4.717 0.072 19085 1738 1 11 . 1 1 34 34 ASP CB C 34 42.065 42.065 43.493 -1.428 19085 1739 1 11 . 1 1 34 34 ASP H H 34 9.091 9.091 8.591 0.500 19085 1740 1 11 . 1 1 35 35 HIS N N 35 106.163 106.163 118.383 -12.220 19085 1741 1 11 . 1 1 35 35 HIS HA H 35 4.822 4.822 4.917 -0.095 19085 1742 1 11 . 1 1 35 35 HIS CB C 35 30.351 30.351 32.026 -1.675 19085 1743 1 11 . 1 1 35 35 HIS H H 35 7.302 7.302 8.107 -0.805 19085 1744 1 11 . 1 1 36 36 GLU N N 36 120.636 120.636 120.821 -0.185 19085 1745 1 11 . 1 1 36 36 GLU HA H 36 4.209 4.209 4.207 0.002 19085 1746 1 11 . 1 1 36 36 GLU CA C 36 57.734 57.734 56.215 1.519 19085 1747 1 11 . 1 1 36 36 GLU CB C 36 29.241 29.241 31.034 -1.793 19085 1748 1 11 . 1 1 36 36 GLU H H 36 9.309 9.309 8.777 0.532 19085 1749 1 11 . 1 1 37 37 GLY N N 37 115.205 115.205 111.435 3.770 19085 1750 1 11 . 1 1 37 37 GLY CA C 37 44.550 44.550 44.307 0.243 19085 1751 1 11 . 1 1 37 37 GLY H H 37 8.153 8.153 7.981 0.172 19085 1752 1 11 . 1 1 38 38 GLU N N 38 112.146 112.146 119.366 -7.220 19085 1753 1 11 . 1 1 38 38 GLU HA H 38 3.899 3.899 4.274 -0.375 19085 1754 1 11 . 1 1 38 38 GLU CA C 38 56.221 56.221 55.619 0.602 19085 1755 1 11 . 1 1 38 38 GLU CB C 38 29.513 29.513 30.690 -1.177 19085 1756 1 11 . 1 1 38 38 GLU H H 38 8.099 8.099 8.386 -0.287 19085 1757 1 11 . 1 1 39 39 CYS N N 39 119.239 119.239 117.133 2.106 19085 1758 1 11 . 1 1 39 39 CYS HA H 39 4.556 4.556 5.083 -0.527 19085 1759 1 11 . 1 1 39 39 CYS CB C 39 37.325 37.325 30.460 6.865 19085 1760 1 11 . 1 1 39 39 CYS H H 39 8.370 8.370 9.024 -0.654 19085 1761 1 12 . 1 1 2 2 ALA N N 2 126.951 126.951 124.246 2.705 19085 1762 1 12 . 1 1 2 2 ALA HA H 2 4.301 4.301 4.377 -0.076 19085 1763 1 12 . 1 1 2 2 ALA CA C 2 52.406 52.406 53.115 -0.709 19085 1764 1 12 . 1 1 2 2 ALA CB C 2 19.210 19.210 19.352 -0.142 19085 1765 1 12 . 1 1 2 2 ALA H H 2 8.685 8.685 8.295 0.390 19085 1766 1 12 . 1 1 3 3 ALA N N 3 124.358 124.358 119.984 4.374 19085 1767 1 12 . 1 1 3 3 ALA HA H 3 4.269 4.269 4.371 -0.102 19085 1768 1 12 . 1 1 3 3 ALA CA C 3 52.178 52.178 51.625 0.553 19085 1769 1 12 . 1 1 3 3 ALA CB C 3 19.345 19.345 20.066 -0.721 19085 1770 1 12 . 1 1 3 3 ALA H H 3 8.328 8.328 7.570 0.758 19085 1771 1 12 . 1 1 4 4 VAL N N 4 119.842 119.842 115.696 4.146 19085 1772 1 12 . 1 1 4 4 VAL HA H 4 3.949 3.949 4.302 -0.353 19085 1773 1 12 . 1 1 4 4 VAL CA C 4 62.170 62.170 62.961 -0.791 19085 1774 1 12 . 1 1 4 4 VAL CB C 4 32.626 32.626 32.558 0.068 19085 1775 1 12 . 1 1 4 4 VAL H H 4 8.107 8.107 8.533 -0.426 19085 1776 1 12 . 1 1 5 5 CYS N N 5 121.502 121.502 121.610 -0.108 19085 1777 1 12 . 1 1 5 5 CYS HA H 5 4.633 4.633 4.713 -0.080 19085 1778 1 12 . 1 1 5 5 CYS CB C 5 35.325 35.325 29.361 5.964 19085 1779 1 12 . 1 1 5 5 CYS H H 5 7.666 7.666 7.847 -0.181 19085 1780 1 12 . 1 1 6 6 THR N N 6 109.529 109.529 115.159 -5.630 19085 1781 1 12 . 1 1 6 6 THR HA H 6 4.674 4.674 4.394 0.280 19085 1782 1 12 . 1 1 6 6 THR H H 6 8.411 8.411 8.205 0.206 19085 1783 1 12 . 1 1 7 7 THR N N 7 112.520 112.520 110.044 2.476 19085 1784 1 12 . 1 1 7 7 THR HA H 7 4.729 4.729 4.437 0.292 19085 1785 1 12 . 1 1 7 7 THR H H 7 8.362 8.362 8.107 0.255 19085 1786 1 12 . 1 1 8 8 GLU N N 8 123.121 123.121 121.557 1.564 19085 1787 1 12 . 1 1 8 8 GLU HA H 8 4.138 4.138 4.414 -0.276 19085 1788 1 12 . 1 1 8 8 GLU CA C 8 57.299 57.299 55.765 1.534 19085 1789 1 12 . 1 1 8 8 GLU CB C 8 29.033 29.033 30.174 -1.141 19085 1790 1 12 . 1 1 8 8 GLU H H 8 7.885 7.885 7.896 -0.011 19085 1791 1 12 . 1 1 9 9 TRP N N 9 126.973 126.973 127.198 -0.225 19085 1792 1 12 . 1 1 9 9 TRP HA H 9 4.938 4.938 4.437 0.501 19085 1793 1 12 . 1 1 9 9 TRP CB C 9 29.305 29.305 29.631 -0.326 19085 1794 1 12 . 1 1 9 9 TRP H H 9 8.799 8.799 8.483 0.316 19085 1795 1 12 . 1 1 10 10 ASP N N 10 126.641 126.641 128.811 -2.170 19085 1796 1 12 . 1 1 10 10 ASP HA H 10 4.656 4.656 4.726 -0.070 19085 1797 1 12 . 1 1 10 10 ASP CA C 10 50.047 50.047 50.693 -0.646 19085 1798 1 12 . 1 1 10 10 ASP CB C 10 38.489 38.489 41.949 -3.460 19085 1799 1 12 . 1 1 10 10 ASP H H 10 8.790 8.790 7.985 0.805 19085 1800 1 12 . 1 1 11 11 PRO HA H 11 4.054 4.054 4.730 -0.676 19085 1801 1 12 . 1 1 11 11 PRO CA C 11 62.749 62.749 62.128 0.621 19085 1802 1 12 . 1 1 11 11 PRO CB C 11 33.189 33.189 31.773 1.416 19085 1803 1 12 . 1 1 12 12 VAL N N 12 110.024 110.024 115.167 -5.143 19085 1804 1 12 . 1 1 12 12 VAL HA H 12 4.447 4.447 4.857 -0.410 19085 1805 1 12 . 1 1 12 12 VAL H H 12 8.078 8.078 8.390 -0.312 19085 1806 1 12 . 1 1 13 13 CYS N N 13 120.371 120.371 120.953 -0.582 19085 1807 1 12 . 1 1 13 13 CYS HA H 13 5.222 5.222 5.624 -0.402 19085 1808 1 12 . 1 1 13 13 CYS CA C 13 53.837 53.837 57.067 -3.230 19085 1809 1 12 . 1 1 13 13 CYS CB C 13 38.384 38.384 29.852 8.532 19085 1810 1 12 . 1 1 13 13 CYS H H 13 8.431 8.431 8.973 -0.542 19085 1811 1 12 . 1 1 14 14 GLY N N 14 116.333 116.333 113.937 2.396 19085 1812 1 12 . 1 1 14 14 GLY CA C 14 45.741 45.741 44.181 1.560 19085 1813 1 12 . 1 1 14 14 GLY H H 14 9.577 9.577 9.175 0.402 19085 1814 1 12 . 1 1 15 15 LYS N N 15 122.042 122.042 119.854 2.188 19085 1815 1 12 . 1 1 15 15 LYS HA H 15 4.004 4.004 4.095 -0.091 19085 1816 1 12 . 1 1 15 15 LYS CA C 15 59.084 59.084 58.691 0.393 19085 1817 1 12 . 1 1 15 15 LYS CB C 15 32.259 32.259 32.513 -0.254 19085 1818 1 12 . 1 1 15 15 LYS H H 15 8.838 8.838 8.576 0.262 19085 1819 1 12 . 1 1 16 16 ASP N N 16 116.512 116.512 115.892 0.620 19085 1820 1 12 . 1 1 16 16 ASP HA H 16 4.405 4.405 4.604 -0.200 19085 1821 1 12 . 1 1 16 16 ASP CB C 16 39.824 39.824 39.573 0.251 19085 1822 1 12 . 1 1 16 16 ASP H H 16 8.354 8.354 7.845 0.509 19085 1823 1 12 . 1 1 17 17 GLY N N 17 108.685 108.685 108.847 -0.162 19085 1824 1 12 . 1 1 17 17 GLY CA C 17 45.730 45.730 45.523 0.207 19085 1825 1 12 . 1 1 17 17 GLY H H 17 8.215 8.215 8.064 0.151 19085 1826 1 12 . 1 1 18 18 LYS N N 18 121.419 121.419 120.656 0.763 19085 1827 1 12 . 1 1 18 18 LYS HA H 18 4.396 4.396 4.658 -0.262 19085 1828 1 12 . 1 1 18 18 LYS CA C 18 54.813 54.813 53.725 1.088 19085 1829 1 12 . 1 1 18 18 LYS CB C 18 33.625 33.625 34.316 -0.691 19085 1830 1 12 . 1 1 18 18 LYS H H 18 7.827 7.827 8.168 -0.341 19085 1831 1 12 . 1 1 19 19 THR N N 19 121.800 121.800 118.513 3.287 19085 1832 1 12 . 1 1 19 19 THR HA H 19 4.843 4.843 4.945 -0.102 19085 1833 1 12 . 1 1 19 19 THR CB C 19 69.515 69.515 69.499 0.016 19085 1834 1 12 . 1 1 19 19 THR H H 19 8.344 8.344 8.441 -0.097 19085 1835 1 12 . 1 1 20 20 TYR N N 20 127.910 127.910 126.397 1.513 19085 1836 1 12 . 1 1 20 20 TYR HA H 20 4.508 4.508 4.848 -0.340 19085 1837 1 12 . 1 1 20 20 TYR CB C 20 41.681 41.681 40.864 0.817 19085 1838 1 12 . 1 1 20 20 TYR H H 20 9.355 9.355 9.245 0.110 19085 1839 1 12 . 1 1 21 21 SER N N 21 116.849 116.849 118.248 -1.399 19085 1840 1 12 . 1 1 21 21 SER HA H 21 3.804 3.804 4.129 -0.325 19085 1841 1 12 . 1 1 21 21 SER CA C 21 61.968 61.968 60.878 1.090 19085 1842 1 12 . 1 1 21 21 SER CB C 21 63.517 63.517 63.502 0.015 19085 1843 1 12 . 1 1 21 21 SER H H 21 9.035 9.035 8.951 0.084 19085 1844 1 12 . 1 1 22 22 ASN N N 22 105.634 105.634 116.896 -11.262 19085 1845 1 12 . 1 1 22 22 ASN HA H 22 4.813 4.813 5.031 -0.218 19085 1846 1 12 . 1 1 22 22 ASN CB C 22 40.080 40.080 39.650 0.430 19085 1847 1 12 . 1 1 22 22 ASN H H 22 7.344 7.344 8.111 -0.767 19085 1848 1 12 . 1 1 23 23 LEU N N 23 118.802 118.802 120.238 -1.436 19085 1849 1 12 . 1 1 23 23 LEU HA H 23 3.857 3.857 4.144 -0.287 19085 1850 1 12 . 1 1 23 23 LEU CA C 23 57.560 57.560 57.260 0.300 19085 1851 1 12 . 1 1 23 23 LEU CB C 23 42.864 42.864 41.842 1.022 19085 1852 1 12 . 1 1 23 23 LEU H H 23 8.832 8.832 8.401 0.431 19085 1853 1 12 . 1 1 24 24 CYS N N 24 119.567 119.567 118.892 0.675 19085 1854 1 12 . 1 1 24 24 CYS HA H 24 4.139 4.139 3.969 0.170 19085 1855 1 12 . 1 1 24 24 CYS CA C 24 60.622 60.622 62.358 -1.736 19085 1856 1 12 . 1 1 24 24 CYS CB C 24 35.293 35.293 25.141 10.152 19085 1857 1 12 . 1 1 24 24 CYS H H 24 8.180 8.180 8.230 -0.050 19085 1858 1 12 . 1 1 25 25 TRP N N 25 120.561 120.561 120.435 0.126 19085 1859 1 12 . 1 1 25 25 TRP HA H 25 4.340 4.340 4.357 -0.017 19085 1860 1 12 . 1 1 25 25 TRP CB C 25 30.325 30.325 29.419 0.906 19085 1861 1 12 . 1 1 25 25 TRP H H 25 7.587 7.587 8.522 -0.935 19085 1862 1 12 . 1 1 26 26 LEU N N 26 122.581 122.581 121.179 1.402 19085 1863 1 12 . 1 1 26 26 LEU HA H 26 2.935 2.935 2.785 0.150 19085 1864 1 12 . 1 1 26 26 LEU CA C 26 58.635 58.635 57.379 1.256 19085 1865 1 12 . 1 1 26 26 LEU CB C 26 41.365 41.365 41.072 0.293 19085 1866 1 12 . 1 1 26 26 LEU H H 26 7.312 7.312 7.433 -0.121 19085 1867 1 12 . 1 1 27 27 ASN N N 27 117.645 117.645 117.565 0.080 19085 1868 1 12 . 1 1 27 27 ASN HA H 27 4.411 4.411 4.336 0.075 19085 1869 1 12 . 1 1 27 27 ASN CB C 27 37.644 37.644 38.675 -1.031 19085 1870 1 12 . 1 1 27 27 ASN H H 27 8.444 8.444 8.200 0.244 19085 1871 1 12 . 1 1 28 28 GLU N N 28 121.101 121.101 120.137 0.964 19085 1872 1 12 . 1 1 28 28 GLU HA H 28 4.017 4.017 4.117 -0.100 19085 1873 1 12 . 1 1 28 28 GLU CA C 28 58.804 58.804 58.547 0.258 19085 1874 1 12 . 1 1 28 28 GLU CB C 28 28.166 28.166 29.263 -1.097 19085 1875 1 12 . 1 1 28 28 GLU H H 28 8.365 8.365 8.496 -0.131 19085 1876 1 12 . 1 1 29 29 ALA N N 29 120.397 120.397 118.820 1.577 19085 1877 1 12 . 1 1 29 29 ALA HA H 29 4.335 4.335 4.340 -0.005 19085 1878 1 12 . 1 1 29 29 ALA CA C 29 52.561 52.561 52.306 0.255 19085 1879 1 12 . 1 1 29 29 ALA CB C 29 18.678 18.678 18.949 -0.271 19085 1880 1 12 . 1 1 29 29 ALA H H 29 7.530 7.530 7.578 -0.048 19085 1881 1 12 . 1 1 30 30 GLY N N 30 106.021 106.021 108.205 -2.184 19085 1882 1 12 . 1 1 30 30 GLY CA C 30 46.111 46.111 45.449 0.662 19085 1883 1 12 . 1 1 30 30 GLY H H 30 7.793 7.793 7.699 0.094 19085 1884 1 12 . 1 1 31 31 VAL N N 31 116.550 116.550 120.155 -3.605 19085 1885 1 12 . 1 1 31 31 VAL HA H 31 4.066 4.066 4.157 -0.091 19085 1886 1 12 . 1 1 31 31 VAL CA C 31 60.934 60.934 62.232 -1.298 19085 1887 1 12 . 1 1 31 31 VAL H H 31 6.611 6.611 7.189 -0.578 19085 1888 1 12 . 1 1 32 32 GLY N N 32 110.423 110.423 113.611 -3.188 19085 1889 1 12 . 1 1 32 32 GLY CA C 32 44.572 44.572 44.397 0.175 19085 1890 1 12 . 1 1 32 32 GLY H H 32 8.551 8.551 8.349 0.202 19085 1891 1 12 . 1 1 33 33 LEU N N 33 124.291 124.291 122.649 1.642 19085 1892 1 12 . 1 1 33 33 LEU HA H 33 3.949 3.949 4.104 -0.155 19085 1893 1 12 . 1 1 33 33 LEU CA C 33 55.823 55.823 56.045 -0.223 19085 1894 1 12 . 1 1 33 33 LEU CB C 33 43.070 43.070 43.339 -0.269 19085 1895 1 12 . 1 1 33 33 LEU H H 33 8.613 8.613 8.313 0.300 19085 1896 1 12 . 1 1 34 34 ASP N N 34 126.710 126.710 122.834 3.876 19085 1897 1 12 . 1 1 34 34 ASP HA H 34 4.789 4.789 4.640 0.149 19085 1898 1 12 . 1 1 34 34 ASP CB C 34 42.065 42.065 43.448 -1.383 19085 1899 1 12 . 1 1 34 34 ASP H H 34 9.091 9.091 8.498 0.593 19085 1900 1 12 . 1 1 35 35 HIS N N 35 106.163 106.163 119.033 -12.870 19085 1901 1 12 . 1 1 35 35 HIS HA H 35 4.822 4.822 4.926 -0.104 19085 1902 1 12 . 1 1 35 35 HIS CB C 35 30.351 30.351 31.718 -1.367 19085 1903 1 12 . 1 1 35 35 HIS H H 35 7.302 7.302 8.283 -0.981 19085 1904 1 12 . 1 1 36 36 GLU N N 36 120.636 120.636 121.475 -0.839 19085 1905 1 12 . 1 1 36 36 GLU HA H 36 4.209 4.209 4.222 -0.013 19085 1906 1 12 . 1 1 36 36 GLU CA C 36 57.734 57.734 56.577 1.157 19085 1907 1 12 . 1 1 36 36 GLU CB C 36 29.241 29.241 30.226 -0.985 19085 1908 1 12 . 1 1 36 36 GLU H H 36 9.309 9.309 8.795 0.514 19085 1909 1 12 . 1 1 37 37 GLY N N 37 115.205 115.205 111.289 3.916 19085 1910 1 12 . 1 1 37 37 GLY CA C 37 44.550 44.550 44.360 0.190 19085 1911 1 12 . 1 1 37 37 GLY H H 37 8.153 8.153 8.088 0.065 19085 1912 1 12 . 1 1 38 38 GLU N N 38 112.146 112.146 119.065 -6.919 19085 1913 1 12 . 1 1 38 38 GLU HA H 38 3.899 3.899 4.327 -0.428 19085 1914 1 12 . 1 1 38 38 GLU CA C 38 56.221 56.221 55.139 1.082 19085 1915 1 12 . 1 1 38 38 GLU CB C 38 29.513 29.513 31.016 -1.503 19085 1916 1 12 . 1 1 38 38 GLU H H 38 8.099 8.099 8.338 -0.239 19085 1917 1 12 . 1 1 39 39 CYS N N 39 119.239 119.239 120.042 -0.803 19085 1918 1 12 . 1 1 39 39 CYS HA H 39 4.556 4.556 4.823 -0.267 19085 1919 1 12 . 1 1 39 39 CYS CB C 39 37.325 37.325 29.302 8.023 19085 1920 1 12 . 1 1 39 39 CYS H H 39 8.370 8.370 8.941 -0.571 19085 1921 1 13 . 1 1 2 2 ALA N N 2 126.951 126.951 125.275 1.676 19085 1922 1 13 . 1 1 2 2 ALA HA H 2 4.301 4.301 4.597 -0.296 19085 1923 1 13 . 1 1 2 2 ALA CA C 2 52.406 52.406 51.710 0.696 19085 1924 1 13 . 1 1 2 2 ALA CB C 2 19.210 19.210 19.484 -0.274 19085 1925 1 13 . 1 1 2 2 ALA H H 2 8.685 8.685 8.089 0.596 19085 1926 1 13 . 1 1 3 3 ALA N N 3 124.358 124.358 121.862 2.496 19085 1927 1 13 . 1 1 3 3 ALA HA H 3 4.269 4.269 4.297 -0.028 19085 1928 1 13 . 1 1 3 3 ALA CA C 3 52.178 52.178 54.078 -1.900 19085 1929 1 13 . 1 1 3 3 ALA CB C 3 19.345 19.345 19.046 0.299 19085 1930 1 13 . 1 1 3 3 ALA H H 3 8.328 8.328 8.322 0.006 19085 1931 1 13 . 1 1 4 4 VAL N N 4 119.842 119.842 110.099 9.743 19085 1932 1 13 . 1 1 4 4 VAL HA H 4 3.949 3.949 4.301 -0.352 19085 1933 1 13 . 1 1 4 4 VAL CA C 4 62.170 62.170 61.853 0.317 19085 1934 1 13 . 1 1 4 4 VAL CB C 4 32.626 32.626 33.320 -0.694 19085 1935 1 13 . 1 1 4 4 VAL H H 4 8.107 8.107 7.605 0.502 19085 1936 1 13 . 1 1 5 5 CYS N N 5 121.502 121.502 119.128 2.374 19085 1937 1 13 . 1 1 5 5 CYS HA H 5 4.633 4.633 4.472 0.161 19085 1938 1 13 . 1 1 5 5 CYS CB C 5 35.325 35.325 29.082 6.243 19085 1939 1 13 . 1 1 5 5 CYS H H 5 7.666 7.666 7.705 -0.039 19085 1940 1 13 . 1 1 6 6 THR N N 6 109.529 109.529 115.923 -6.394 19085 1941 1 13 . 1 1 6 6 THR HA H 6 4.674 4.674 4.580 0.094 19085 1942 1 13 . 1 1 6 6 THR H H 6 8.411 8.411 7.945 0.466 19085 1943 1 13 . 1 1 7 7 THR N N 7 112.520 112.520 109.760 2.760 19085 1944 1 13 . 1 1 7 7 THR HA H 7 4.729 4.729 4.372 0.357 19085 1945 1 13 . 1 1 7 7 THR H H 7 8.362 8.362 8.250 0.112 19085 1946 1 13 . 1 1 8 8 GLU N N 8 123.121 123.121 121.896 1.225 19085 1947 1 13 . 1 1 8 8 GLU HA H 8 4.138 4.138 4.408 -0.270 19085 1948 1 13 . 1 1 8 8 GLU CA C 8 57.299 57.299 56.006 1.293 19085 1949 1 13 . 1 1 8 8 GLU CB C 8 29.033 29.033 29.784 -0.751 19085 1950 1 13 . 1 1 8 8 GLU H H 8 7.885 7.885 7.908 -0.023 19085 1951 1 13 . 1 1 9 9 TRP N N 9 126.973 126.973 128.214 -1.241 19085 1952 1 13 . 1 1 9 9 TRP HA H 9 4.938 4.938 4.477 0.461 19085 1953 1 13 . 1 1 9 9 TRP CB C 9 29.305 29.305 29.443 -0.138 19085 1954 1 13 . 1 1 9 9 TRP H H 9 8.799 8.799 8.605 0.194 19085 1955 1 13 . 1 1 10 10 ASP N N 10 126.641 126.641 128.710 -2.069 19085 1956 1 13 . 1 1 10 10 ASP HA H 10 4.656 4.656 4.689 -0.033 19085 1957 1 13 . 1 1 10 10 ASP CA C 10 50.047 50.047 50.626 -0.579 19085 1958 1 13 . 1 1 10 10 ASP CB C 10 38.489 38.489 41.778 -3.289 19085 1959 1 13 . 1 1 10 10 ASP H H 10 8.790 8.790 7.738 1.052 19085 1960 1 13 . 1 1 11 11 PRO HA H 11 4.054 4.054 4.619 -0.565 19085 1961 1 13 . 1 1 11 11 PRO CA C 11 62.749 62.749 62.406 0.343 19085 1962 1 13 . 1 1 11 11 PRO CB C 11 33.189 33.189 32.140 1.049 19085 1963 1 13 . 1 1 12 12 VAL N N 12 110.024 110.024 115.778 -5.754 19085 1964 1 13 . 1 1 12 12 VAL HA H 12 4.447 4.447 4.767 -0.320 19085 1965 1 13 . 1 1 12 12 VAL H H 12 8.078 8.078 8.636 -0.558 19085 1966 1 13 . 1 1 13 13 CYS N N 13 120.371 120.371 120.584 -0.213 19085 1967 1 13 . 1 1 13 13 CYS HA H 13 5.222 5.222 5.322 -0.100 19085 1968 1 13 . 1 1 13 13 CYS CA C 13 53.837 53.837 57.005 -3.168 19085 1969 1 13 . 1 1 13 13 CYS CB C 13 38.384 38.384 29.541 8.843 19085 1970 1 13 . 1 1 13 13 CYS H H 13 8.431 8.431 8.880 -0.449 19085 1971 1 13 . 1 1 14 14 GLY N N 14 116.333 116.333 113.738 2.595 19085 1972 1 13 . 1 1 14 14 GLY CA C 14 45.741 45.741 44.152 1.589 19085 1973 1 13 . 1 1 14 14 GLY H H 14 9.577 9.577 9.327 0.250 19085 1974 1 13 . 1 1 15 15 LYS N N 15 122.042 122.042 119.833 2.209 19085 1975 1 13 . 1 1 15 15 LYS HA H 15 4.004 4.004 4.198 -0.194 19085 1976 1 13 . 1 1 15 15 LYS CA C 15 59.084 59.084 58.290 0.794 19085 1977 1 13 . 1 1 15 15 LYS CB C 15 32.259 32.259 32.402 -0.143 19085 1978 1 13 . 1 1 15 15 LYS H H 15 8.838 8.838 8.551 0.287 19085 1979 1 13 . 1 1 16 16 ASP N N 16 116.512 116.512 117.738 -1.226 19085 1980 1 13 . 1 1 16 16 ASP HA H 16 4.405 4.405 4.629 -0.224 19085 1981 1 13 . 1 1 16 16 ASP CB C 16 39.824 39.824 40.692 -0.868 19085 1982 1 13 . 1 1 16 16 ASP H H 16 8.354 8.354 7.978 0.376 19085 1983 1 13 . 1 1 17 17 GLY N N 17 108.685 108.685 107.242 1.443 19085 1984 1 13 . 1 1 17 17 GLY CA C 17 45.730 45.730 45.730 0.000 19085 1985 1 13 . 1 1 17 17 GLY H H 17 8.215 8.215 7.811 0.404 19085 1986 1 13 . 1 1 18 18 LYS N N 18 121.419 121.419 120.214 1.205 19085 1987 1 13 . 1 1 18 18 LYS HA H 18 4.396 4.396 4.497 -0.101 19085 1988 1 13 . 1 1 18 18 LYS CA C 18 54.813 54.813 54.049 0.764 19085 1989 1 13 . 1 1 18 18 LYS CB C 18 33.625 33.625 33.442 0.183 19085 1990 1 13 . 1 1 18 18 LYS H H 18 7.827 7.827 7.617 0.210 19085 1991 1 13 . 1 1 19 19 THR N N 19 121.800 121.800 119.634 2.166 19085 1992 1 13 . 1 1 19 19 THR HA H 19 4.843 4.843 4.782 0.061 19085 1993 1 13 . 1 1 19 19 THR CB C 19 69.515 69.515 69.041 0.474 19085 1994 1 13 . 1 1 19 19 THR H H 19 8.344 8.344 8.459 -0.115 19085 1995 1 13 . 1 1 20 20 TYR N N 20 127.910 127.910 125.824 2.086 19085 1996 1 13 . 1 1 20 20 TYR HA H 20 4.508 4.508 4.787 -0.279 19085 1997 1 13 . 1 1 20 20 TYR CB C 20 41.681 41.681 40.806 0.875 19085 1998 1 13 . 1 1 20 20 TYR H H 20 9.355 9.355 9.119 0.236 19085 1999 1 13 . 1 1 21 21 SER N N 21 116.849 116.849 117.901 -1.052 19085 2000 1 13 . 1 1 21 21 SER HA H 21 3.804 3.804 4.147 -0.343 19085 2001 1 13 . 1 1 21 21 SER CA C 21 61.968 61.968 60.740 1.228 19085 2002 1 13 . 1 1 21 21 SER CB C 21 63.517 63.517 64.099 -0.582 19085 2003 1 13 . 1 1 21 21 SER H H 21 9.035 9.035 8.970 0.065 19085 2004 1 13 . 1 1 22 22 ASN N N 22 105.634 105.634 117.576 -11.942 19085 2005 1 13 . 1 1 22 22 ASN HA H 22 4.813 4.813 4.963 -0.150 19085 2006 1 13 . 1 1 22 22 ASN CB C 22 40.080 40.080 40.765 -0.685 19085 2007 1 13 . 1 1 22 22 ASN H H 22 7.344 7.344 7.885 -0.541 19085 2008 1 13 . 1 1 23 23 LEU N N 23 118.802 118.802 122.510 -3.708 19085 2009 1 13 . 1 1 23 23 LEU HA H 23 3.857 3.857 4.226 -0.369 19085 2010 1 13 . 1 1 23 23 LEU CA C 23 57.560 57.560 57.175 0.385 19085 2011 1 13 . 1 1 23 23 LEU CB C 23 42.864 42.864 41.971 0.893 19085 2012 1 13 . 1 1 23 23 LEU H H 23 8.832 8.832 8.692 0.140 19085 2013 1 13 . 1 1 24 24 CYS N N 24 119.567 119.567 119.675 -0.108 19085 2014 1 13 . 1 1 24 24 CYS HA H 24 4.139 4.139 3.934 0.205 19085 2015 1 13 . 1 1 24 24 CYS CA C 24 60.622 60.622 62.406 -1.784 19085 2016 1 13 . 1 1 24 24 CYS CB C 24 35.293 35.293 25.086 10.207 19085 2017 1 13 . 1 1 24 24 CYS H H 24 8.180 8.180 7.905 0.275 19085 2018 1 13 . 1 1 25 25 TRP N N 25 120.561 120.561 119.613 0.948 19085 2019 1 13 . 1 1 25 25 TRP HA H 25 4.340 4.340 4.291 0.049 19085 2020 1 13 . 1 1 25 25 TRP CB C 25 30.325 30.325 29.209 1.116 19085 2021 1 13 . 1 1 25 25 TRP H H 25 7.587 7.587 7.058 0.529 19085 2022 1 13 . 1 1 26 26 LEU N N 26 122.581 122.581 121.104 1.477 19085 2023 1 13 . 1 1 26 26 LEU HA H 26 2.935 2.935 2.953 -0.018 19085 2024 1 13 . 1 1 26 26 LEU CA C 26 58.635 58.635 57.250 1.385 19085 2025 1 13 . 1 1 26 26 LEU CB C 26 41.365 41.365 41.177 0.188 19085 2026 1 13 . 1 1 26 26 LEU H H 26 7.312 7.312 7.464 -0.152 19085 2027 1 13 . 1 1 27 27 ASN N N 27 117.645 117.645 116.925 0.720 19085 2028 1 13 . 1 1 27 27 ASN HA H 27 4.411 4.411 4.336 0.075 19085 2029 1 13 . 1 1 27 27 ASN CB C 27 37.644 37.644 38.592 -0.948 19085 2030 1 13 . 1 1 27 27 ASN H H 27 8.444 8.444 8.307 0.137 19085 2031 1 13 . 1 1 28 28 GLU N N 28 121.101 121.101 119.356 1.745 19085 2032 1 13 . 1 1 28 28 GLU HA H 28 4.017 4.017 4.191 -0.174 19085 2033 1 13 . 1 1 28 28 GLU CA C 28 58.804 58.804 58.193 0.612 19085 2034 1 13 . 1 1 28 28 GLU CB C 28 28.166 28.166 29.435 -1.269 19085 2035 1 13 . 1 1 28 28 GLU H H 28 8.365 8.365 8.338 0.027 19085 2036 1 13 . 1 1 29 29 ALA N N 29 120.397 120.397 119.905 0.492 19085 2037 1 13 . 1 1 29 29 ALA HA H 29 4.335 4.335 4.302 0.033 19085 2038 1 13 . 1 1 29 29 ALA CA C 29 52.561 52.561 52.716 -0.155 19085 2039 1 13 . 1 1 29 29 ALA CB C 29 18.678 18.678 19.011 -0.333 19085 2040 1 13 . 1 1 29 29 ALA H H 29 7.530 7.530 7.795 -0.265 19085 2041 1 13 . 1 1 30 30 GLY N N 30 106.021 106.021 107.822 -1.801 19085 2042 1 13 . 1 1 30 30 GLY CA C 30 46.111 46.111 45.167 0.944 19085 2043 1 13 . 1 1 30 30 GLY H H 30 7.793 7.793 7.606 0.187 19085 2044 1 13 . 1 1 31 31 VAL N N 31 116.550 116.550 121.041 -4.491 19085 2045 1 13 . 1 1 31 31 VAL HA H 31 4.066 4.066 4.141 -0.075 19085 2046 1 13 . 1 1 31 31 VAL CA C 31 60.934 60.934 61.961 -1.027 19085 2047 1 13 . 1 1 31 31 VAL H H 31 6.611 6.611 7.151 -0.540 19085 2048 1 13 . 1 1 32 32 GLY N N 32 110.423 110.423 112.122 -1.699 19085 2049 1 13 . 1 1 32 32 GLY CA C 32 44.572 44.572 44.263 0.309 19085 2050 1 13 . 1 1 32 32 GLY H H 32 8.551 8.551 8.346 0.205 19085 2051 1 13 . 1 1 33 33 LEU N N 33 124.291 124.291 122.364 1.927 19085 2052 1 13 . 1 1 33 33 LEU HA H 33 3.949 3.949 4.308 -0.359 19085 2053 1 13 . 1 1 33 33 LEU CA C 33 55.823 55.823 55.490 0.333 19085 2054 1 13 . 1 1 33 33 LEU CB C 33 43.070 43.070 43.932 -0.862 19085 2055 1 13 . 1 1 33 33 LEU H H 33 8.613 8.613 8.313 0.300 19085 2056 1 13 . 1 1 34 34 ASP N N 34 126.710 126.710 124.551 2.159 19085 2057 1 13 . 1 1 34 34 ASP HA H 34 4.789 4.789 4.745 0.044 19085 2058 1 13 . 1 1 34 34 ASP CB C 34 42.065 42.065 43.781 -1.716 19085 2059 1 13 . 1 1 34 34 ASP H H 34 9.091 9.091 8.783 0.308 19085 2060 1 13 . 1 1 35 35 HIS N N 35 106.163 106.163 118.650 -12.487 19085 2061 1 13 . 1 1 35 35 HIS HA H 35 4.822 4.822 4.872 -0.050 19085 2062 1 13 . 1 1 35 35 HIS CB C 35 30.351 30.351 32.260 -1.909 19085 2063 1 13 . 1 1 35 35 HIS H H 35 7.302 7.302 7.849 -0.547 19085 2064 1 13 . 1 1 36 36 GLU N N 36 120.636 120.636 122.184 -1.548 19085 2065 1 13 . 1 1 36 36 GLU HA H 36 4.209 4.209 4.147 0.062 19085 2066 1 13 . 1 1 36 36 GLU CA C 36 57.734 57.734 56.480 1.254 19085 2067 1 13 . 1 1 36 36 GLU CB C 36 29.241 29.241 30.646 -1.405 19085 2068 1 13 . 1 1 36 36 GLU H H 36 9.309 9.309 8.811 0.498 19085 2069 1 13 . 1 1 37 37 GLY N N 37 115.205 115.205 112.134 3.071 19085 2070 1 13 . 1 1 37 37 GLY CA C 37 44.550 44.550 44.278 0.272 19085 2071 1 13 . 1 1 37 37 GLY H H 37 8.153 8.153 8.009 0.144 19085 2072 1 13 . 1 1 38 38 GLU N N 38 112.146 112.146 118.119 -5.973 19085 2073 1 13 . 1 1 38 38 GLU HA H 38 3.899 3.899 4.359 -0.460 19085 2074 1 13 . 1 1 38 38 GLU CA C 38 56.221 56.221 55.972 0.249 19085 2075 1 13 . 1 1 38 38 GLU CB C 38 29.513 29.513 30.410 -0.897 19085 2076 1 13 . 1 1 38 38 GLU H H 38 8.099 8.099 8.466 -0.367 19085 2077 1 13 . 1 1 39 39 CYS N N 39 119.239 119.239 115.816 3.423 19085 2078 1 13 . 1 1 39 39 CYS HA H 39 4.556 4.556 5.151 -0.595 19085 2079 1 13 . 1 1 39 39 CYS CB C 39 37.325 37.325 30.205 7.120 19085 2080 1 13 . 1 1 39 39 CYS H H 39 8.370 8.370 8.650 -0.280 19085 2081 1 14 . 1 1 2 2 ALA N N 2 126.951 126.951 125.063 1.888 19085 2082 1 14 . 1 1 2 2 ALA HA H 2 4.301 4.301 4.241 0.060 19085 2083 1 14 . 1 1 2 2 ALA CA C 2 52.406 52.406 53.289 -0.884 19085 2084 1 14 . 1 1 2 2 ALA CB C 2 19.210 19.210 18.986 0.224 19085 2085 1 14 . 1 1 2 2 ALA H H 2 8.685 8.685 8.022 0.663 19085 2086 1 14 . 1 1 3 3 ALA N N 3 124.358 124.358 118.589 5.769 19085 2087 1 14 . 1 1 3 3 ALA HA H 3 4.269 4.269 4.388 -0.119 19085 2088 1 14 . 1 1 3 3 ALA CA C 3 52.178 52.178 51.971 0.207 19085 2089 1 14 . 1 1 3 3 ALA CB C 3 19.345 19.345 20.199 -0.854 19085 2090 1 14 . 1 1 3 3 ALA H H 3 8.328 8.328 7.438 0.890 19085 2091 1 14 . 1 1 4 4 VAL N N 4 119.842 119.842 116.177 3.665 19085 2092 1 14 . 1 1 4 4 VAL HA H 4 3.949 3.949 4.280 -0.331 19085 2093 1 14 . 1 1 4 4 VAL CA C 4 62.170 62.170 62.903 -0.733 19085 2094 1 14 . 1 1 4 4 VAL CB C 4 32.626 32.626 32.255 0.370 19085 2095 1 14 . 1 1 4 4 VAL H H 4 8.107 8.107 8.453 -0.346 19085 2096 1 14 . 1 1 5 5 CYS N N 5 121.502 121.502 119.372 2.130 19085 2097 1 14 . 1 1 5 5 CYS HA H 5 4.633 4.633 5.032 -0.399 19085 2098 1 14 . 1 1 5 5 CYS CB C 5 35.325 35.325 29.703 5.622 19085 2099 1 14 . 1 1 5 5 CYS H H 5 7.666 7.666 8.004 -0.338 19085 2100 1 14 . 1 1 6 6 THR N N 6 109.529 109.529 113.237 -3.708 19085 2101 1 14 . 1 1 6 6 THR HA H 6 4.674 4.674 4.430 0.244 19085 2102 1 14 . 1 1 6 6 THR H H 6 8.411 8.411 8.096 0.315 19085 2103 1 14 . 1 1 7 7 THR N N 7 112.520 112.520 110.329 2.191 19085 2104 1 14 . 1 1 7 7 THR HA H 7 4.729 4.729 4.344 0.385 19085 2105 1 14 . 1 1 7 7 THR H H 7 8.362 8.362 8.187 0.175 19085 2106 1 14 . 1 1 8 8 GLU N N 8 123.121 123.121 120.925 2.196 19085 2107 1 14 . 1 1 8 8 GLU HA H 8 4.138 4.138 4.282 -0.144 19085 2108 1 14 . 1 1 8 8 GLU CA C 8 57.299 57.299 55.668 1.631 19085 2109 1 14 . 1 1 8 8 GLU CB C 8 29.033 29.033 30.034 -1.001 19085 2110 1 14 . 1 1 8 8 GLU H H 8 7.885 7.885 7.859 0.026 19085 2111 1 14 . 1 1 9 9 TRP N N 9 126.973 126.973 126.590 0.383 19085 2112 1 14 . 1 1 9 9 TRP HA H 9 4.938 4.938 4.491 0.447 19085 2113 1 14 . 1 1 9 9 TRP CB C 9 29.305 29.305 29.405 -0.100 19085 2114 1 14 . 1 1 9 9 TRP H H 9 8.799 8.799 8.504 0.295 19085 2115 1 14 . 1 1 10 10 ASP N N 10 126.641 126.641 128.817 -2.176 19085 2116 1 14 . 1 1 10 10 ASP HA H 10 4.656 4.656 4.831 -0.175 19085 2117 1 14 . 1 1 10 10 ASP CA C 10 50.047 50.047 50.172 -0.124 19085 2118 1 14 . 1 1 10 10 ASP CB C 10 38.489 38.489 42.924 -4.435 19085 2119 1 14 . 1 1 10 10 ASP H H 10 8.790 8.790 7.988 0.802 19085 2120 1 14 . 1 1 11 11 PRO HA H 11 4.054 4.054 4.832 -0.778 19085 2121 1 14 . 1 1 11 11 PRO CA C 11 62.749 62.749 62.114 0.635 19085 2122 1 14 . 1 1 11 11 PRO CB C 11 33.189 33.189 31.911 1.278 19085 2123 1 14 . 1 1 12 12 VAL N N 12 110.024 110.024 116.221 -6.197 19085 2124 1 14 . 1 1 12 12 VAL HA H 12 4.447 4.447 4.728 -0.281 19085 2125 1 14 . 1 1 12 12 VAL H H 12 8.078 8.078 8.406 -0.328 19085 2126 1 14 . 1 1 13 13 CYS N N 13 120.371 120.371 120.031 0.340 19085 2127 1 14 . 1 1 13 13 CYS HA H 13 5.222 5.222 5.448 -0.226 19085 2128 1 14 . 1 1 13 13 CYS CA C 13 53.837 53.837 56.926 -3.089 19085 2129 1 14 . 1 1 13 13 CYS CB C 13 38.384 38.384 29.982 8.402 19085 2130 1 14 . 1 1 13 13 CYS H H 13 8.431 8.431 8.913 -0.482 19085 2131 1 14 . 1 1 14 14 GLY N N 14 116.333 116.333 113.610 2.723 19085 2132 1 14 . 1 1 14 14 GLY CA C 14 45.741 45.741 44.046 1.695 19085 2133 1 14 . 1 1 14 14 GLY H H 14 9.577 9.577 9.209 0.368 19085 2134 1 14 . 1 1 15 15 LYS N N 15 122.042 122.042 119.404 2.638 19085 2135 1 14 . 1 1 15 15 LYS HA H 15 4.004 4.004 4.278 -0.274 19085 2136 1 14 . 1 1 15 15 LYS CA C 15 59.084 59.084 58.278 0.806 19085 2137 1 14 . 1 1 15 15 LYS CB C 15 32.259 32.259 32.440 -0.181 19085 2138 1 14 . 1 1 15 15 LYS H H 15 8.838 8.838 8.577 0.261 19085 2139 1 14 . 1 1 16 16 ASP N N 16 116.512 116.512 116.257 0.255 19085 2140 1 14 . 1 1 16 16 ASP HA H 16 4.405 4.405 4.721 -0.316 19085 2141 1 14 . 1 1 16 16 ASP CB C 16 39.824 39.824 40.178 -0.354 19085 2142 1 14 . 1 1 16 16 ASP H H 16 8.354 8.354 8.102 0.252 19085 2143 1 14 . 1 1 17 17 GLY N N 17 108.685 108.685 108.412 0.273 19085 2144 1 14 . 1 1 17 17 GLY CA C 17 45.730 45.730 45.897 -0.167 19085 2145 1 14 . 1 1 17 17 GLY H H 17 8.215 8.215 8.038 0.177 19085 2146 1 14 . 1 1 18 18 LYS N N 18 121.419 121.419 120.405 1.014 19085 2147 1 14 . 1 1 18 18 LYS HA H 18 4.396 4.396 4.496 -0.100 19085 2148 1 14 . 1 1 18 18 LYS CA C 18 54.813 54.813 54.223 0.590 19085 2149 1 14 . 1 1 18 18 LYS CB C 18 33.625 33.625 32.997 0.628 19085 2150 1 14 . 1 1 18 18 LYS H H 18 7.827 7.827 7.983 -0.156 19085 2151 1 14 . 1 1 19 19 THR N N 19 121.800 121.800 119.135 2.665 19085 2152 1 14 . 1 1 19 19 THR HA H 19 4.843 4.843 4.881 -0.038 19085 2153 1 14 . 1 1 19 19 THR CB C 19 69.515 69.515 69.409 0.106 19085 2154 1 14 . 1 1 19 19 THR H H 19 8.344 8.344 8.456 -0.112 19085 2155 1 14 . 1 1 20 20 TYR N N 20 127.910 127.910 127.213 0.697 19085 2156 1 14 . 1 1 20 20 TYR HA H 20 4.508 4.508 4.816 -0.308 19085 2157 1 14 . 1 1 20 20 TYR CB C 20 41.681 41.681 40.697 0.984 19085 2158 1 14 . 1 1 20 20 TYR H H 20 9.355 9.355 9.156 0.199 19085 2159 1 14 . 1 1 21 21 SER N N 21 116.849 116.849 117.887 -1.038 19085 2160 1 14 . 1 1 21 21 SER HA H 21 3.804 3.804 4.059 -0.255 19085 2161 1 14 . 1 1 21 21 SER CA C 21 61.968 61.968 61.727 0.241 19085 2162 1 14 . 1 1 21 21 SER CB C 21 63.517 63.517 63.608 -0.092 19085 2163 1 14 . 1 1 21 21 SER H H 21 9.035 9.035 8.996 0.039 19085 2164 1 14 . 1 1 22 22 ASN N N 22 105.634 105.634 115.461 -9.827 19085 2165 1 14 . 1 1 22 22 ASN HA H 22 4.813 4.813 4.872 -0.059 19085 2166 1 14 . 1 1 22 22 ASN CB C 22 40.080 40.080 39.225 0.855 19085 2167 1 14 . 1 1 22 22 ASN H H 22 7.344 7.344 8.063 -0.719 19085 2168 1 14 . 1 1 23 23 LEU N N 23 118.802 118.802 120.458 -1.656 19085 2169 1 14 . 1 1 23 23 LEU HA H 23 3.857 3.857 4.168 -0.311 19085 2170 1 14 . 1 1 23 23 LEU CA C 23 57.560 57.560 57.405 0.155 19085 2171 1 14 . 1 1 23 23 LEU CB C 23 42.864 42.864 41.769 1.095 19085 2172 1 14 . 1 1 23 23 LEU H H 23 8.832 8.832 8.431 0.401 19085 2173 1 14 . 1 1 24 24 CYS N N 24 119.567 119.567 118.712 0.855 19085 2174 1 14 . 1 1 24 24 CYS HA H 24 4.139 4.139 3.957 0.182 19085 2175 1 14 . 1 1 24 24 CYS CA C 24 60.622 60.622 63.257 -2.635 19085 2176 1 14 . 1 1 24 24 CYS CB C 24 35.293 35.293 25.420 9.873 19085 2177 1 14 . 1 1 24 24 CYS H H 24 8.180 8.180 8.226 -0.046 19085 2178 1 14 . 1 1 25 25 TRP N N 25 120.561 120.561 119.770 0.791 19085 2179 1 14 . 1 1 25 25 TRP HA H 25 4.340 4.340 4.596 -0.256 19085 2180 1 14 . 1 1 25 25 TRP CB C 25 30.325 30.325 29.376 0.949 19085 2181 1 14 . 1 1 25 25 TRP H H 25 7.587 7.587 8.360 -0.773 19085 2182 1 14 . 1 1 26 26 LEU N N 26 122.581 122.581 121.314 1.267 19085 2183 1 14 . 1 1 26 26 LEU HA H 26 2.935 2.935 2.748 0.187 19085 2184 1 14 . 1 1 26 26 LEU CA C 26 58.635 58.635 57.401 1.234 19085 2185 1 14 . 1 1 26 26 LEU CB C 26 41.365 41.365 41.092 0.273 19085 2186 1 14 . 1 1 26 26 LEU H H 26 7.312 7.312 7.418 -0.106 19085 2187 1 14 . 1 1 27 27 ASN N N 27 117.645 117.645 117.624 0.021 19085 2188 1 14 . 1 1 27 27 ASN HA H 27 4.411 4.411 4.272 0.139 19085 2189 1 14 . 1 1 27 27 ASN CB C 27 37.644 37.644 38.842 -1.198 19085 2190 1 14 . 1 1 27 27 ASN H H 27 8.444 8.444 8.283 0.161 19085 2191 1 14 . 1 1 28 28 GLU N N 28 121.101 121.101 120.053 1.048 19085 2192 1 14 . 1 1 28 28 GLU HA H 28 4.017 4.017 4.089 -0.072 19085 2193 1 14 . 1 1 28 28 GLU CA C 28 58.804 58.804 58.364 0.440 19085 2194 1 14 . 1 1 28 28 GLU CB C 28 28.166 28.166 29.617 -1.451 19085 2195 1 14 . 1 1 28 28 GLU H H 28 8.365 8.365 8.108 0.257 19085 2196 1 14 . 1 1 29 29 ALA N N 29 120.397 120.397 119.021 1.376 19085 2197 1 14 . 1 1 29 29 ALA HA H 29 4.335 4.335 4.372 -0.037 19085 2198 1 14 . 1 1 29 29 ALA CA C 29 52.561 52.561 52.014 0.547 19085 2199 1 14 . 1 1 29 29 ALA CB C 29 18.678 18.678 18.902 -0.224 19085 2200 1 14 . 1 1 29 29 ALA H H 29 7.530 7.530 7.567 -0.037 19085 2201 1 14 . 1 1 30 30 GLY N N 30 106.021 106.021 107.994 -1.973 19085 2202 1 14 . 1 1 30 30 GLY CA C 30 46.111 46.111 45.261 0.850 19085 2203 1 14 . 1 1 30 30 GLY H H 30 7.793 7.793 7.598 0.195 19085 2204 1 14 . 1 1 31 31 VAL N N 31 116.550 116.550 120.911 -4.361 19085 2205 1 14 . 1 1 31 31 VAL HA H 31 4.066 4.066 4.194 -0.128 19085 2206 1 14 . 1 1 31 31 VAL CA C 31 60.934 60.934 61.598 -0.664 19085 2207 1 14 . 1 1 31 31 VAL H H 31 6.611 6.611 7.101 -0.490 19085 2208 1 14 . 1 1 32 32 GLY N N 32 110.423 110.423 112.577 -2.154 19085 2209 1 14 . 1 1 32 32 GLY CA C 32 44.572 44.572 44.328 0.244 19085 2210 1 14 . 1 1 32 32 GLY H H 32 8.551 8.551 8.382 0.169 19085 2211 1 14 . 1 1 33 33 LEU N N 33 124.291 124.291 122.946 1.345 19085 2212 1 14 . 1 1 33 33 LEU HA H 33 3.949 3.949 4.170 -0.221 19085 2213 1 14 . 1 1 33 33 LEU CA C 33 55.823 55.823 55.852 -0.029 19085 2214 1 14 . 1 1 33 33 LEU CB C 33 43.070 43.070 43.500 -0.430 19085 2215 1 14 . 1 1 33 33 LEU H H 33 8.613 8.613 8.293 0.320 19085 2216 1 14 . 1 1 34 34 ASP N N 34 126.710 126.710 123.969 2.741 19085 2217 1 14 . 1 1 34 34 ASP HA H 34 4.789 4.789 4.748 0.041 19085 2218 1 14 . 1 1 34 34 ASP CB C 34 42.065 42.065 43.842 -1.776 19085 2219 1 14 . 1 1 34 34 ASP H H 34 9.091 9.091 8.515 0.576 19085 2220 1 14 . 1 1 35 35 HIS N N 35 106.163 106.163 118.390 -12.227 19085 2221 1 14 . 1 1 35 35 HIS HA H 35 4.822 4.822 4.812 0.010 19085 2222 1 14 . 1 1 35 35 HIS CB C 35 30.351 30.351 32.199 -1.848 19085 2223 1 14 . 1 1 35 35 HIS H H 35 7.302 7.302 8.172 -0.870 19085 2224 1 14 . 1 1 36 36 GLU N N 36 120.636 120.636 121.272 -0.636 19085 2225 1 14 . 1 1 36 36 GLU HA H 36 4.209 4.209 4.185 0.024 19085 2226 1 14 . 1 1 36 36 GLU CA C 36 57.734 57.734 56.053 1.681 19085 2227 1 14 . 1 1 36 36 GLU CB C 36 29.241 29.241 30.266 -1.025 19085 2228 1 14 . 1 1 36 36 GLU H H 36 9.309 9.309 8.725 0.584 19085 2229 1 14 . 1 1 37 37 GLY N N 37 115.205 115.205 113.194 2.011 19085 2230 1 14 . 1 1 37 37 GLY CA C 37 44.550 44.550 44.451 0.099 19085 2231 1 14 . 1 1 37 37 GLY H H 37 8.153 8.153 8.258 -0.105 19085 2232 1 14 . 1 1 38 38 GLU N N 38 112.146 112.146 119.796 -7.650 19085 2233 1 14 . 1 1 38 38 GLU HA H 38 3.899 3.899 4.159 -0.260 19085 2234 1 14 . 1 1 38 38 GLU CA C 38 56.221 56.221 56.709 -0.488 19085 2235 1 14 . 1 1 38 38 GLU CB C 38 29.513 29.513 30.775 -1.262 19085 2236 1 14 . 1 1 38 38 GLU H H 38 8.099 8.099 8.444 -0.345 19085 2237 1 14 . 1 1 39 39 CYS N N 39 119.239 119.239 119.422 -0.183 19085 2238 1 14 . 1 1 39 39 CYS HA H 39 4.556 4.556 4.845 -0.289 19085 2239 1 14 . 1 1 39 39 CYS CB C 39 37.325 37.325 30.162 7.163 19085 2240 1 14 . 1 1 39 39 CYS H H 39 8.370 8.370 8.908 -0.538 19085 2241 1 15 . 1 1 2 2 ALA N N 2 126.951 126.951 123.660 3.291 19085 2242 1 15 . 1 1 2 2 ALA HA H 2 4.301 4.301 4.591 -0.290 19085 2243 1 15 . 1 1 2 2 ALA CA C 2 52.406 52.406 51.487 0.918 19085 2244 1 15 . 1 1 2 2 ALA CB C 2 19.210 19.210 20.456 -1.246 19085 2245 1 15 . 1 1 2 2 ALA H H 2 8.685 8.685 8.008 0.677 19085 2246 1 15 . 1 1 3 3 ALA N N 3 124.358 124.358 121.792 2.566 19085 2247 1 15 . 1 1 3 3 ALA HA H 3 4.269 4.269 4.277 -0.008 19085 2248 1 15 . 1 1 3 3 ALA CA C 3 52.178 52.178 52.314 -0.136 19085 2249 1 15 . 1 1 3 3 ALA CB C 3 19.345 19.345 19.157 0.188 19085 2250 1 15 . 1 1 3 3 ALA H H 3 8.328 8.328 8.169 0.159 19085 2251 1 15 . 1 1 4 4 VAL N N 4 119.842 119.842 118.147 1.695 19085 2252 1 15 . 1 1 4 4 VAL HA H 4 3.949 3.949 4.249 -0.300 19085 2253 1 15 . 1 1 4 4 VAL CA C 4 62.170 62.170 61.824 0.346 19085 2254 1 15 . 1 1 4 4 VAL CB C 4 32.626 32.626 32.220 0.406 19085 2255 1 15 . 1 1 4 4 VAL H H 4 8.107 8.107 7.950 0.157 19085 2256 1 15 . 1 1 5 5 CYS N N 5 121.502 121.502 122.886 -1.384 19085 2257 1 15 . 1 1 5 5 CYS HA H 5 4.633 4.633 4.594 0.039 19085 2258 1 15 . 1 1 5 5 CYS CB C 5 35.325 35.325 27.302 8.023 19085 2259 1 15 . 1 1 5 5 CYS H H 5 7.666 7.666 8.053 -0.387 19085 2260 1 15 . 1 1 6 6 THR N N 6 109.529 109.529 115.207 -5.678 19085 2261 1 15 . 1 1 6 6 THR HA H 6 4.674 4.674 4.458 0.216 19085 2262 1 15 . 1 1 6 6 THR H H 6 8.411 8.411 8.056 0.355 19085 2263 1 15 . 1 1 7 7 THR N N 7 112.520 112.520 109.851 2.669 19085 2264 1 15 . 1 1 7 7 THR HA H 7 4.729 4.729 4.432 0.297 19085 2265 1 15 . 1 1 7 7 THR H H 7 8.362 8.362 8.195 0.167 19085 2266 1 15 . 1 1 8 8 GLU N N 8 123.121 123.121 121.697 1.424 19085 2267 1 15 . 1 1 8 8 GLU HA H 8 4.138 4.138 4.260 -0.122 19085 2268 1 15 . 1 1 8 8 GLU CA C 8 57.299 57.299 55.886 1.413 19085 2269 1 15 . 1 1 8 8 GLU CB C 8 29.033 29.033 30.136 -1.103 19085 2270 1 15 . 1 1 8 8 GLU H H 8 7.885 7.885 7.550 0.335 19085 2271 1 15 . 1 1 9 9 TRP N N 9 126.973 126.973 127.439 -0.466 19085 2272 1 15 . 1 1 9 9 TRP HA H 9 4.938 4.938 4.524 0.414 19085 2273 1 15 . 1 1 9 9 TRP CB C 9 29.305 29.305 29.341 -0.036 19085 2274 1 15 . 1 1 9 9 TRP H H 9 8.799 8.799 8.621 0.178 19085 2275 1 15 . 1 1 10 10 ASP N N 10 126.641 126.641 128.651 -2.010 19085 2276 1 15 . 1 1 10 10 ASP HA H 10 4.656 4.656 4.745 -0.089 19085 2277 1 15 . 1 1 10 10 ASP CA C 10 50.047 50.047 50.671 -0.624 19085 2278 1 15 . 1 1 10 10 ASP CB C 10 38.489 38.489 42.022 -3.533 19085 2279 1 15 . 1 1 10 10 ASP H H 10 8.790 8.790 8.089 0.701 19085 2280 1 15 . 1 1 11 11 PRO HA H 11 4.054 4.054 4.865 -0.811 19085 2281 1 15 . 1 1 11 11 PRO CA C 11 62.749 62.749 62.006 0.743 19085 2282 1 15 . 1 1 11 11 PRO CB C 11 33.189 33.189 31.903 1.286 19085 2283 1 15 . 1 1 12 12 VAL N N 12 110.024 110.024 116.289 -6.265 19085 2284 1 15 . 1 1 12 12 VAL HA H 12 4.447 4.447 4.697 -0.250 19085 2285 1 15 . 1 1 12 12 VAL H H 12 8.078 8.078 8.189 -0.111 19085 2286 1 15 . 1 1 13 13 CYS N N 13 120.371 120.371 121.730 -1.359 19085 2287 1 15 . 1 1 13 13 CYS HA H 13 5.222 5.222 5.414 -0.192 19085 2288 1 15 . 1 1 13 13 CYS CA C 13 53.837 53.837 56.591 -2.754 19085 2289 1 15 . 1 1 13 13 CYS CB C 13 38.384 38.384 28.747 9.636 19085 2290 1 15 . 1 1 13 13 CYS H H 13 8.431 8.431 8.813 -0.382 19085 2291 1 15 . 1 1 14 14 GLY N N 14 116.333 116.333 114.346 1.987 19085 2292 1 15 . 1 1 14 14 GLY CA C 14 45.741 45.741 44.296 1.445 19085 2293 1 15 . 1 1 14 14 GLY H H 14 9.577 9.577 9.334 0.243 19085 2294 1 15 . 1 1 15 15 LYS N N 15 122.042 122.042 120.687 1.355 19085 2295 1 15 . 1 1 15 15 LYS HA H 15 4.004 4.004 4.070 -0.066 19085 2296 1 15 . 1 1 15 15 LYS CA C 15 59.084 59.084 58.658 0.426 19085 2297 1 15 . 1 1 15 15 LYS CB C 15 32.259 32.259 32.404 -0.145 19085 2298 1 15 . 1 1 15 15 LYS H H 15 8.838 8.838 8.668 0.170 19085 2299 1 15 . 1 1 16 16 ASP N N 16 116.512 116.512 117.012 -0.500 19085 2300 1 15 . 1 1 16 16 ASP HA H 16 4.405 4.405 4.662 -0.257 19085 2301 1 15 . 1 1 16 16 ASP CB C 16 39.824 39.824 40.030 -0.206 19085 2302 1 15 . 1 1 16 16 ASP H H 16 8.354 8.354 7.894 0.460 19085 2303 1 15 . 1 1 17 17 GLY N N 17 108.685 108.685 107.186 1.499 19085 2304 1 15 . 1 1 17 17 GLY CA C 17 45.730 45.730 45.483 0.247 19085 2305 1 15 . 1 1 17 17 GLY H H 17 8.215 8.215 8.051 0.164 19085 2306 1 15 . 1 1 18 18 LYS N N 18 121.419 121.419 119.211 2.208 19085 2307 1 15 . 1 1 18 18 LYS HA H 18 4.396 4.396 4.678 -0.282 19085 2308 1 15 . 1 1 18 18 LYS CA C 18 54.813 54.813 53.596 1.217 19085 2309 1 15 . 1 1 18 18 LYS CB C 18 33.625 33.625 34.638 -1.013 19085 2310 1 15 . 1 1 18 18 LYS H H 18 7.827 7.827 7.490 0.337 19085 2311 1 15 . 1 1 19 19 THR N N 19 121.800 121.800 118.572 3.228 19085 2312 1 15 . 1 1 19 19 THR HA H 19 4.843 4.843 5.020 -0.177 19085 2313 1 15 . 1 1 19 19 THR CB C 19 69.515 69.515 69.138 0.377 19085 2314 1 15 . 1 1 19 19 THR H H 19 8.344 8.344 8.509 -0.165 19085 2315 1 15 . 1 1 20 20 TYR N N 20 127.910 127.910 126.222 1.688 19085 2316 1 15 . 1 1 20 20 TYR HA H 20 4.508 4.508 4.838 -0.330 19085 2317 1 15 . 1 1 20 20 TYR CB C 20 41.681 41.681 40.907 0.774 19085 2318 1 15 . 1 1 20 20 TYR H H 20 9.355 9.355 9.115 0.240 19085 2319 1 15 . 1 1 21 21 SER N N 21 116.849 116.849 118.468 -1.619 19085 2320 1 15 . 1 1 21 21 SER HA H 21 3.804 3.804 4.130 -0.326 19085 2321 1 15 . 1 1 21 21 SER CA C 21 61.968 61.968 60.948 1.020 19085 2322 1 15 . 1 1 21 21 SER CB C 21 63.517 63.517 63.414 0.103 19085 2323 1 15 . 1 1 21 21 SER H H 21 9.035 9.035 8.923 0.112 19085 2324 1 15 . 1 1 22 22 ASN N N 22 105.634 105.634 116.774 -11.140 19085 2325 1 15 . 1 1 22 22 ASN HA H 22 4.813 4.813 5.086 -0.273 19085 2326 1 15 . 1 1 22 22 ASN CB C 22 40.080 40.080 39.704 0.376 19085 2327 1 15 . 1 1 22 22 ASN H H 22 7.344 7.344 8.122 -0.778 19085 2328 1 15 . 1 1 23 23 LEU N N 23 118.802 118.802 120.802 -2.000 19085 2329 1 15 . 1 1 23 23 LEU HA H 23 3.857 3.857 4.148 -0.291 19085 2330 1 15 . 1 1 23 23 LEU CA C 23 57.560 57.560 57.540 0.020 19085 2331 1 15 . 1 1 23 23 LEU CB C 23 42.864 42.864 41.715 1.149 19085 2332 1 15 . 1 1 23 23 LEU H H 23 8.832 8.832 8.415 0.417 19085 2333 1 15 . 1 1 24 24 CYS N N 24 119.567 119.567 118.695 0.872 19085 2334 1 15 . 1 1 24 24 CYS HA H 24 4.139 4.139 3.983 0.156 19085 2335 1 15 . 1 1 24 24 CYS CA C 24 60.622 60.622 62.303 -1.681 19085 2336 1 15 . 1 1 24 24 CYS CB C 24 35.293 35.293 25.153 10.140 19085 2337 1 15 . 1 1 24 24 CYS H H 24 8.180 8.180 8.124 0.056 19085 2338 1 15 . 1 1 25 25 TRP N N 25 120.561 120.561 120.608 -0.047 19085 2339 1 15 . 1 1 25 25 TRP HA H 25 4.340 4.340 4.357 -0.017 19085 2340 1 15 . 1 1 25 25 TRP CB C 25 30.325 30.325 29.454 0.871 19085 2341 1 15 . 1 1 25 25 TRP H H 25 7.587 7.587 8.865 -1.278 19085 2342 1 15 . 1 1 26 26 LEU N N 26 122.581 122.581 120.861 1.720 19085 2343 1 15 . 1 1 26 26 LEU HA H 26 2.935 2.935 2.936 -0.001 19085 2344 1 15 . 1 1 26 26 LEU CA C 26 58.635 58.635 57.339 1.296 19085 2345 1 15 . 1 1 26 26 LEU CB C 26 41.365 41.365 41.149 0.216 19085 2346 1 15 . 1 1 26 26 LEU H H 26 7.312 7.312 7.494 -0.182 19085 2347 1 15 . 1 1 27 27 ASN N N 27 117.645 117.645 117.565 0.080 19085 2348 1 15 . 1 1 27 27 ASN HA H 27 4.411 4.411 4.302 0.109 19085 2349 1 15 . 1 1 27 27 ASN CB C 27 37.644 37.644 38.638 -0.994 19085 2350 1 15 . 1 1 27 27 ASN H H 27 8.444 8.444 8.033 0.411 19085 2351 1 15 . 1 1 28 28 GLU N N 28 121.101 121.101 118.890 2.211 19085 2352 1 15 . 1 1 28 28 GLU HA H 28 4.017 4.017 4.140 -0.123 19085 2353 1 15 . 1 1 28 28 GLU CA C 28 58.804 58.804 58.347 0.457 19085 2354 1 15 . 1 1 28 28 GLU CB C 28 28.166 28.166 29.083 -0.917 19085 2355 1 15 . 1 1 28 28 GLU H H 28 8.365 8.365 8.238 0.127 19085 2356 1 15 . 1 1 29 29 ALA N N 29 120.397 120.397 119.544 0.853 19085 2357 1 15 . 1 1 29 29 ALA HA H 29 4.335 4.335 4.405 -0.070 19085 2358 1 15 . 1 1 29 29 ALA CA C 29 52.561 52.561 52.224 0.337 19085 2359 1 15 . 1 1 29 29 ALA CB C 29 18.678 18.678 19.146 -0.468 19085 2360 1 15 . 1 1 29 29 ALA H H 29 7.530 7.530 7.775 -0.245 19085 2361 1 15 . 1 1 30 30 GLY N N 30 106.021 106.021 106.749 -0.728 19085 2362 1 15 . 1 1 30 30 GLY CA C 30 46.111 46.111 45.327 0.784 19085 2363 1 15 . 1 1 30 30 GLY H H 30 7.793 7.793 7.701 0.092 19085 2364 1 15 . 1 1 31 31 VAL N N 31 116.550 116.550 120.564 -4.014 19085 2365 1 15 . 1 1 31 31 VAL HA H 31 4.066 4.066 4.256 -0.190 19085 2366 1 15 . 1 1 31 31 VAL CA C 31 60.934 60.934 61.383 -0.449 19085 2367 1 15 . 1 1 31 31 VAL H H 31 6.611 6.611 7.090 -0.479 19085 2368 1 15 . 1 1 32 32 GLY N N 32 110.423 110.423 112.076 -1.653 19085 2369 1 15 . 1 1 32 32 GLY CA C 32 44.572 44.572 44.079 0.493 19085 2370 1 15 . 1 1 32 32 GLY H H 32 8.551 8.551 8.328 0.223 19085 2371 1 15 . 1 1 33 33 LEU N N 33 124.291 124.291 121.393 2.898 19085 2372 1 15 . 1 1 33 33 LEU HA H 33 3.949 3.949 4.221 -0.272 19085 2373 1 15 . 1 1 33 33 LEU CA C 33 55.823 55.823 55.548 0.275 19085 2374 1 15 . 1 1 33 33 LEU CB C 33 43.070 43.070 43.943 -0.873 19085 2375 1 15 . 1 1 33 33 LEU H H 33 8.613 8.613 8.233 0.380 19085 2376 1 15 . 1 1 34 34 ASP N N 34 126.710 126.710 124.079 2.631 19085 2377 1 15 . 1 1 34 34 ASP HA H 34 4.789 4.789 4.754 0.035 19085 2378 1 15 . 1 1 34 34 ASP CB C 34 42.065 42.065 43.631 -1.566 19085 2379 1 15 . 1 1 34 34 ASP H H 34 9.091 9.091 8.902 0.189 19085 2380 1 15 . 1 1 35 35 HIS N N 35 106.163 106.163 118.195 -12.032 19085 2381 1 15 . 1 1 35 35 HIS HA H 35 4.822 4.822 4.863 -0.041 19085 2382 1 15 . 1 1 35 35 HIS CB C 35 30.351 30.351 32.524 -2.173 19085 2383 1 15 . 1 1 35 35 HIS H H 35 7.302 7.302 7.891 -0.589 19085 2384 1 15 . 1 1 36 36 GLU N N 36 120.636 120.636 121.029 -0.393 19085 2385 1 15 . 1 1 36 36 GLU HA H 36 4.209 4.209 4.135 0.074 19085 2386 1 15 . 1 1 36 36 GLU CA C 36 57.734 57.734 56.293 1.441 19085 2387 1 15 . 1 1 36 36 GLU CB C 36 29.241 29.241 30.900 -1.659 19085 2388 1 15 . 1 1 36 36 GLU H H 36 9.309 9.309 8.746 0.563 19085 2389 1 15 . 1 1 37 37 GLY N N 37 115.205 115.205 111.108 4.097 19085 2390 1 15 . 1 1 37 37 GLY CA C 37 44.550 44.550 44.355 0.195 19085 2391 1 15 . 1 1 37 37 GLY H H 37 8.153 8.153 8.155 -0.002 19085 2392 1 15 . 1 1 38 38 GLU N N 38 112.146 112.146 118.641 -6.495 19085 2393 1 15 . 1 1 38 38 GLU HA H 38 3.899 3.899 4.384 -0.485 19085 2394 1 15 . 1 1 38 38 GLU CA C 38 56.221 56.221 55.941 0.280 19085 2395 1 15 . 1 1 38 38 GLU CB C 38 29.513 29.513 30.664 -1.151 19085 2396 1 15 . 1 1 38 38 GLU H H 38 8.099 8.099 8.507 -0.408 19085 2397 1 15 . 1 1 39 39 CYS N N 39 119.239 119.239 116.943 2.296 19085 2398 1 15 . 1 1 39 39 CYS HA H 39 4.556 4.556 5.041 -0.485 19085 2399 1 15 . 1 1 39 39 CYS CB C 39 37.325 37.325 30.592 6.733 19085 2400 1 15 . 1 1 39 39 CYS H H 39 8.370 8.370 9.066 -0.696 19085 2401 1 16 . 1 1 2 2 ALA N N 2 126.951 126.951 122.839 4.112 19085 2402 1 16 . 1 1 2 2 ALA HA H 2 4.301 4.301 4.405 -0.104 19085 2403 1 16 . 1 1 2 2 ALA CA C 2 52.406 52.406 52.617 -0.211 19085 2404 1 16 . 1 1 2 2 ALA CB C 2 19.210 19.210 19.519 -0.309 19085 2405 1 16 . 1 1 2 2 ALA H H 2 8.685 8.685 8.624 0.061 19085 2406 1 16 . 1 1 3 3 ALA N N 3 124.358 124.358 121.865 2.493 19085 2407 1 16 . 1 1 3 3 ALA HA H 3 4.269 4.269 4.117 0.152 19085 2408 1 16 . 1 1 3 3 ALA CA C 3 52.178 52.178 52.321 -0.143 19085 2409 1 16 . 1 1 3 3 ALA CB C 3 19.345 19.345 17.971 1.374 19085 2410 1 16 . 1 1 3 3 ALA H H 3 8.328 8.328 7.978 0.350 19085 2411 1 16 . 1 1 4 4 VAL N N 4 119.842 119.842 119.920 -0.078 19085 2412 1 16 . 1 1 4 4 VAL HA H 4 3.949 3.949 4.251 -0.302 19085 2413 1 16 . 1 1 4 4 VAL CA C 4 62.170 62.170 61.679 0.491 19085 2414 1 16 . 1 1 4 4 VAL CB C 4 32.626 32.626 31.131 1.494 19085 2415 1 16 . 1 1 4 4 VAL H H 4 8.107 8.107 8.114 -0.007 19085 2416 1 16 . 1 1 5 5 CYS N N 5 121.502 121.502 120.115 1.387 19085 2417 1 16 . 1 1 5 5 CYS HA H 5 4.633 4.633 4.727 -0.094 19085 2418 1 16 . 1 1 5 5 CYS CB C 5 35.325 35.325 29.171 6.154 19085 2419 1 16 . 1 1 5 5 CYS H H 5 7.666 7.666 8.031 -0.365 19085 2420 1 16 . 1 1 6 6 THR N N 6 109.529 109.529 113.565 -4.036 19085 2421 1 16 . 1 1 6 6 THR HA H 6 4.674 4.674 4.383 0.291 19085 2422 1 16 . 1 1 6 6 THR H H 6 8.411 8.411 8.199 0.212 19085 2423 1 16 . 1 1 7 7 THR N N 7 112.520 112.520 110.106 2.414 19085 2424 1 16 . 1 1 7 7 THR HA H 7 4.729 4.729 4.257 0.472 19085 2425 1 16 . 1 1 7 7 THR H H 7 8.362 8.362 8.286 0.076 19085 2426 1 16 . 1 1 8 8 GLU N N 8 123.121 123.121 120.814 2.307 19085 2427 1 16 . 1 1 8 8 GLU HA H 8 4.138 4.138 4.330 -0.192 19085 2428 1 16 . 1 1 8 8 GLU CA C 8 57.299 57.299 56.180 1.119 19085 2429 1 16 . 1 1 8 8 GLU CB C 8 29.033 29.033 29.984 -0.951 19085 2430 1 16 . 1 1 8 8 GLU H H 8 7.885 7.885 7.866 0.019 19085 2431 1 16 . 1 1 9 9 TRP N N 9 126.973 126.973 126.979 -0.006 19085 2432 1 16 . 1 1 9 9 TRP HA H 9 4.938 4.938 4.428 0.510 19085 2433 1 16 . 1 1 9 9 TRP CB C 9 29.305 29.305 29.449 -0.144 19085 2434 1 16 . 1 1 9 9 TRP H H 9 8.799 8.799 8.332 0.467 19085 2435 1 16 . 1 1 10 10 ASP N N 10 126.641 126.641 128.910 -2.269 19085 2436 1 16 . 1 1 10 10 ASP HA H 10 4.656 4.656 4.713 -0.057 19085 2437 1 16 . 1 1 10 10 ASP CA C 10 50.047 50.047 50.587 -0.541 19085 2438 1 16 . 1 1 10 10 ASP CB C 10 38.489 38.489 41.801 -3.312 19085 2439 1 16 . 1 1 10 10 ASP H H 10 8.790 8.790 7.886 0.904 19085 2440 1 16 . 1 1 11 11 PRO HA H 11 4.054 4.054 4.663 -0.609 19085 2441 1 16 . 1 1 11 11 PRO CA C 11 62.749 62.749 62.244 0.505 19085 2442 1 16 . 1 1 11 11 PRO CB C 11 33.189 33.189 31.813 1.376 19085 2443 1 16 . 1 1 12 12 VAL N N 12 110.024 110.024 114.846 -4.822 19085 2444 1 16 . 1 1 12 12 VAL HA H 12 4.447 4.447 4.829 -0.382 19085 2445 1 16 . 1 1 12 12 VAL H H 12 8.078 8.078 8.284 -0.206 19085 2446 1 16 . 1 1 13 13 CYS N N 13 120.371 120.371 121.413 -1.042 19085 2447 1 16 . 1 1 13 13 CYS HA H 13 5.222 5.222 5.466 -0.244 19085 2448 1 16 . 1 1 13 13 CYS CA C 13 53.837 53.837 57.070 -3.233 19085 2449 1 16 . 1 1 13 13 CYS CB C 13 38.384 38.384 29.409 8.975 19085 2450 1 16 . 1 1 13 13 CYS H H 13 8.431 8.431 8.818 -0.387 19085 2451 1 16 . 1 1 14 14 GLY N N 14 116.333 116.333 114.221 2.112 19085 2452 1 16 . 1 1 14 14 GLY CA C 14 45.741 45.741 44.362 1.379 19085 2453 1 16 . 1 1 14 14 GLY H H 14 9.577 9.577 9.371 0.206 19085 2454 1 16 . 1 1 15 15 LYS N N 15 122.042 122.042 119.690 2.352 19085 2455 1 16 . 1 1 15 15 LYS HA H 15 4.004 4.004 4.271 -0.267 19085 2456 1 16 . 1 1 15 15 LYS CA C 15 59.084 59.084 58.551 0.533 19085 2457 1 16 . 1 1 15 15 LYS CB C 15 32.259 32.259 32.499 -0.240 19085 2458 1 16 . 1 1 15 15 LYS H H 15 8.838 8.838 8.572 0.266 19085 2459 1 16 . 1 1 16 16 ASP N N 16 116.512 116.512 116.498 0.014 19085 2460 1 16 . 1 1 16 16 ASP HA H 16 4.405 4.405 4.650 -0.245 19085 2461 1 16 . 1 1 16 16 ASP CB C 16 39.824 39.824 40.227 -0.403 19085 2462 1 16 . 1 1 16 16 ASP H H 16 8.354 8.354 8.006 0.348 19085 2463 1 16 . 1 1 17 17 GLY N N 17 108.685 108.685 106.590 2.095 19085 2464 1 16 . 1 1 17 17 GLY CA C 17 45.730 45.730 45.477 0.253 19085 2465 1 16 . 1 1 17 17 GLY H H 17 8.215 8.215 7.934 0.281 19085 2466 1 16 . 1 1 18 18 LYS N N 18 121.419 121.419 122.103 -0.684 19085 2467 1 16 . 1 1 18 18 LYS HA H 18 4.396 4.396 4.173 0.223 19085 2468 1 16 . 1 1 18 18 LYS CA C 18 54.813 54.813 56.254 -1.441 19085 2469 1 16 . 1 1 18 18 LYS CB C 18 33.625 33.625 32.706 0.919 19085 2470 1 16 . 1 1 18 18 LYS H H 18 7.827 7.827 7.960 -0.133 19085 2471 1 16 . 1 1 19 19 THR N N 19 121.800 121.800 120.222 1.578 19085 2472 1 16 . 1 1 19 19 THR HA H 19 4.843 4.843 4.840 0.003 19085 2473 1 16 . 1 1 19 19 THR CB C 19 69.515 69.515 69.338 0.177 19085 2474 1 16 . 1 1 19 19 THR H H 19 8.344 8.344 8.336 0.008 19085 2475 1 16 . 1 1 20 20 TYR N N 20 127.910 127.910 126.570 1.340 19085 2476 1 16 . 1 1 20 20 TYR HA H 20 4.508 4.508 4.827 -0.319 19085 2477 1 16 . 1 1 20 20 TYR CB C 20 41.681 41.681 41.040 0.641 19085 2478 1 16 . 1 1 20 20 TYR H H 20 9.355 9.355 9.171 0.184 19085 2479 1 16 . 1 1 21 21 SER N N 21 116.849 116.849 118.002 -1.153 19085 2480 1 16 . 1 1 21 21 SER HA H 21 3.804 3.804 4.121 -0.317 19085 2481 1 16 . 1 1 21 21 SER CA C 21 61.968 61.968 60.732 1.236 19085 2482 1 16 . 1 1 21 21 SER CB C 21 63.517 63.517 63.562 -0.046 19085 2483 1 16 . 1 1 21 21 SER H H 21 9.035 9.035 8.914 0.121 19085 2484 1 16 . 1 1 22 22 ASN N N 22 105.634 105.634 116.376 -10.742 19085 2485 1 16 . 1 1 22 22 ASN HA H 22 4.813 4.813 4.966 -0.153 19085 2486 1 16 . 1 1 22 22 ASN CB C 22 40.080 40.080 39.671 0.409 19085 2487 1 16 . 1 1 22 22 ASN H H 22 7.344 7.344 8.098 -0.754 19085 2488 1 16 . 1 1 23 23 LEU N N 23 118.802 118.802 120.144 -1.342 19085 2489 1 16 . 1 1 23 23 LEU HA H 23 3.857 3.857 4.178 -0.321 19085 2490 1 16 . 1 1 23 23 LEU CA C 23 57.560 57.560 57.433 0.127 19085 2491 1 16 . 1 1 23 23 LEU CB C 23 42.864 42.864 41.981 0.883 19085 2492 1 16 . 1 1 23 23 LEU H H 23 8.832 8.832 8.423 0.409 19085 2493 1 16 . 1 1 24 24 CYS N N 24 119.567 119.567 118.051 1.516 19085 2494 1 16 . 1 1 24 24 CYS HA H 24 4.139 4.139 4.109 0.030 19085 2495 1 16 . 1 1 24 24 CYS CA C 24 60.622 60.622 62.655 -2.033 19085 2496 1 16 . 1 1 24 24 CYS CB C 24 35.293 35.293 25.451 9.841 19085 2497 1 16 . 1 1 24 24 CYS H H 24 8.180 8.180 8.257 -0.077 19085 2498 1 16 . 1 1 25 25 TRP N N 25 120.561 120.561 120.478 0.083 19085 2499 1 16 . 1 1 25 25 TRP HA H 25 4.340 4.340 4.313 0.027 19085 2500 1 16 . 1 1 25 25 TRP CB C 25 30.325 30.325 29.342 0.983 19085 2501 1 16 . 1 1 25 25 TRP H H 25 7.587 7.587 8.603 -1.016 19085 2502 1 16 . 1 1 26 26 LEU N N 26 122.581 122.581 120.781 1.800 19085 2503 1 16 . 1 1 26 26 LEU HA H 26 2.935 2.935 2.852 0.083 19085 2504 1 16 . 1 1 26 26 LEU CA C 26 58.635 58.635 57.354 1.281 19085 2505 1 16 . 1 1 26 26 LEU CB C 26 41.365 41.365 41.128 0.237 19085 2506 1 16 . 1 1 26 26 LEU H H 26 7.312 7.312 7.425 -0.113 19085 2507 1 16 . 1 1 27 27 ASN N N 27 117.645 117.645 117.524 0.121 19085 2508 1 16 . 1 1 27 27 ASN HA H 27 4.411 4.411 4.275 0.136 19085 2509 1 16 . 1 1 27 27 ASN CB C 27 37.644 37.644 38.800 -1.156 19085 2510 1 16 . 1 1 27 27 ASN H H 27 8.444 8.444 8.241 0.203 19085 2511 1 16 . 1 1 28 28 GLU N N 28 121.101 121.101 118.988 2.113 19085 2512 1 16 . 1 1 28 28 GLU HA H 28 4.017 4.017 4.122 -0.105 19085 2513 1 16 . 1 1 28 28 GLU CA C 28 58.804 58.804 58.284 0.520 19085 2514 1 16 . 1 1 28 28 GLU CB C 28 28.166 28.166 29.249 -1.083 19085 2515 1 16 . 1 1 28 28 GLU H H 28 8.365 8.365 8.230 0.135 19085 2516 1 16 . 1 1 29 29 ALA N N 29 120.397 120.397 118.992 1.405 19085 2517 1 16 . 1 1 29 29 ALA HA H 29 4.335 4.335 4.366 -0.031 19085 2518 1 16 . 1 1 29 29 ALA CA C 29 52.561 52.561 52.137 0.424 19085 2519 1 16 . 1 1 29 29 ALA CB C 29 18.678 18.678 18.992 -0.315 19085 2520 1 16 . 1 1 29 29 ALA H H 29 7.530 7.530 7.566 -0.036 19085 2521 1 16 . 1 1 30 30 GLY N N 30 106.021 106.021 107.802 -1.781 19085 2522 1 16 . 1 1 30 30 GLY CA C 30 46.111 46.111 45.441 0.670 19085 2523 1 16 . 1 1 30 30 GLY H H 30 7.793 7.793 7.620 0.173 19085 2524 1 16 . 1 1 31 31 VAL N N 31 116.550 116.550 120.767 -4.217 19085 2525 1 16 . 1 1 31 31 VAL HA H 31 4.066 4.066 4.117 -0.051 19085 2526 1 16 . 1 1 31 31 VAL CA C 31 60.934 60.934 62.569 -1.635 19085 2527 1 16 . 1 1 31 31 VAL H H 31 6.611 6.611 7.158 -0.547 19085 2528 1 16 . 1 1 32 32 GLY N N 32 110.423 110.423 113.594 -3.171 19085 2529 1 16 . 1 1 32 32 GLY CA C 32 44.572 44.572 44.291 0.281 19085 2530 1 16 . 1 1 32 32 GLY H H 32 8.551 8.551 8.333 0.218 19085 2531 1 16 . 1 1 33 33 LEU N N 33 124.291 124.291 121.947 2.344 19085 2532 1 16 . 1 1 33 33 LEU HA H 33 3.949 3.949 4.179 -0.230 19085 2533 1 16 . 1 1 33 33 LEU CA C 33 55.823 55.823 55.858 -0.035 19085 2534 1 16 . 1 1 33 33 LEU CB C 33 43.070 43.070 43.734 -0.664 19085 2535 1 16 . 1 1 33 33 LEU H H 33 8.613 8.613 8.293 0.320 19085 2536 1 16 . 1 1 34 34 ASP N N 34 126.710 126.710 125.300 1.410 19085 2537 1 16 . 1 1 34 34 ASP HA H 34 4.789 4.789 4.703 0.086 19085 2538 1 16 . 1 1 34 34 ASP CB C 34 42.065 42.065 43.292 -1.227 19085 2539 1 16 . 1 1 34 34 ASP H H 34 9.091 9.091 8.579 0.512 19085 2540 1 16 . 1 1 35 35 HIS N N 35 106.163 106.163 118.827 -12.664 19085 2541 1 16 . 1 1 35 35 HIS HA H 35 4.822 4.822 4.918 -0.096 19085 2542 1 16 . 1 1 35 35 HIS CB C 35 30.351 30.351 31.612 -1.261 19085 2543 1 16 . 1 1 35 35 HIS H H 35 7.302 7.302 8.181 -0.879 19085 2544 1 16 . 1 1 36 36 GLU N N 36 120.636 120.636 121.686 -1.050 19085 2545 1 16 . 1 1 36 36 GLU HA H 36 4.209 4.209 4.239 -0.030 19085 2546 1 16 . 1 1 36 36 GLU CA C 36 57.734 57.734 56.683 1.051 19085 2547 1 16 . 1 1 36 36 GLU CB C 36 29.241 29.241 30.062 -0.821 19085 2548 1 16 . 1 1 36 36 GLU H H 36 9.309 9.309 8.814 0.495 19085 2549 1 16 . 1 1 37 37 GLY N N 37 115.205 115.205 111.846 3.359 19085 2550 1 16 . 1 1 37 37 GLY CA C 37 44.550 44.550 44.280 0.270 19085 2551 1 16 . 1 1 37 37 GLY H H 37 8.153 8.153 7.905 0.248 19085 2552 1 16 . 1 1 38 38 GLU N N 38 112.146 112.146 118.878 -6.732 19085 2553 1 16 . 1 1 38 38 GLU HA H 38 3.899 3.899 4.267 -0.368 19085 2554 1 16 . 1 1 38 38 GLU CA C 38 56.221 56.221 55.279 0.943 19085 2555 1 16 . 1 1 38 38 GLU CB C 38 29.513 29.513 30.877 -1.363 19085 2556 1 16 . 1 1 38 38 GLU H H 38 8.099 8.099 8.334 -0.235 19085 2557 1 16 . 1 1 39 39 CYS N N 39 119.239 119.239 120.069 -0.830 19085 2558 1 16 . 1 1 39 39 CYS HA H 39 4.556 4.556 4.925 -0.369 19085 2559 1 16 . 1 1 39 39 CYS CB C 39 37.325 37.325 28.941 8.384 19085 2560 1 16 . 1 1 39 39 CYS H H 39 8.370 8.370 8.637 -0.267 19085 2561 1 17 . 1 1 2 2 ALA N N 2 126.951 126.951 122.929 4.022 19085 2562 1 17 . 1 1 2 2 ALA HA H 2 4.301 4.301 5.009 -0.708 19085 2563 1 17 . 1 1 2 2 ALA CA C 2 52.406 52.406 52.353 0.053 19085 2564 1 17 . 1 1 2 2 ALA CB C 2 19.210 19.210 19.536 -0.326 19085 2565 1 17 . 1 1 2 2 ALA H H 2 8.685 8.685 8.841 -0.156 19085 2566 1 17 . 1 1 3 3 ALA N N 3 124.358 124.358 123.019 1.339 19085 2567 1 17 . 1 1 3 3 ALA HA H 3 4.269 4.269 4.930 -0.661 19085 2568 1 17 . 1 1 3 3 ALA CA C 3 52.178 52.178 51.647 0.531 19085 2569 1 17 . 1 1 3 3 ALA CB C 3 19.345 19.345 20.812 -1.467 19085 2570 1 17 . 1 1 3 3 ALA H H 3 8.328 8.328 8.171 0.157 19085 2571 1 17 . 1 1 4 4 VAL N N 4 119.842 119.842 118.716 1.126 19085 2572 1 17 . 1 1 4 4 VAL HA H 4 3.949 3.949 4.332 -0.383 19085 2573 1 17 . 1 1 4 4 VAL CA C 4 62.170 62.170 62.569 -0.399 19085 2574 1 17 . 1 1 4 4 VAL CB C 4 32.626 32.626 32.368 0.258 19085 2575 1 17 . 1 1 4 4 VAL H H 4 8.107 8.107 8.282 -0.175 19085 2576 1 17 . 1 1 5 5 CYS N N 5 121.502 121.502 123.006 -1.504 19085 2577 1 17 . 1 1 5 5 CYS HA H 5 4.633 4.633 4.655 -0.022 19085 2578 1 17 . 1 1 5 5 CYS CB C 5 35.325 35.325 28.411 6.914 19085 2579 1 17 . 1 1 5 5 CYS H H 5 7.666 7.666 7.814 -0.148 19085 2580 1 17 . 1 1 6 6 THR N N 6 109.529 109.529 119.219 -9.690 19085 2581 1 17 . 1 1 6 6 THR HA H 6 4.674 4.674 4.576 0.098 19085 2582 1 17 . 1 1 6 6 THR H H 6 8.411 8.411 8.786 -0.375 19085 2583 1 17 . 1 1 7 7 THR N N 7 112.520 112.520 110.343 2.177 19085 2584 1 17 . 1 1 7 7 THR HA H 7 4.729 4.729 4.396 0.333 19085 2585 1 17 . 1 1 7 7 THR H H 7 8.362 8.362 8.202 0.160 19085 2586 1 17 . 1 1 8 8 GLU N N 8 123.121 123.121 121.420 1.701 19085 2587 1 17 . 1 1 8 8 GLU HA H 8 4.138 4.138 4.357 -0.219 19085 2588 1 17 . 1 1 8 8 GLU CA C 8 57.299 57.299 55.841 1.458 19085 2589 1 17 . 1 1 8 8 GLU CB C 8 29.033 29.033 30.259 -1.226 19085 2590 1 17 . 1 1 8 8 GLU H H 8 7.885 7.885 7.827 0.058 19085 2591 1 17 . 1 1 9 9 TRP N N 9 126.973 126.973 127.537 -0.564 19085 2592 1 17 . 1 1 9 9 TRP HA H 9 4.938 4.938 4.465 0.473 19085 2593 1 17 . 1 1 9 9 TRP CB C 9 29.305 29.305 29.428 -0.123 19085 2594 1 17 . 1 1 9 9 TRP H H 9 8.799 8.799 8.624 0.175 19085 2595 1 17 . 1 1 10 10 ASP N N 10 126.641 126.641 128.817 -2.176 19085 2596 1 17 . 1 1 10 10 ASP HA H 10 4.656 4.656 4.731 -0.075 19085 2597 1 17 . 1 1 10 10 ASP CA C 10 50.047 50.047 50.641 -0.594 19085 2598 1 17 . 1 1 10 10 ASP CB C 10 38.489 38.489 41.966 -3.477 19085 2599 1 17 . 1 1 10 10 ASP H H 10 8.790 8.790 7.921 0.869 19085 2600 1 17 . 1 1 11 11 PRO HA H 11 4.054 4.054 4.852 -0.798 19085 2601 1 17 . 1 1 11 11 PRO CA C 11 62.749 62.749 62.058 0.691 19085 2602 1 17 . 1 1 11 11 PRO CB C 11 33.189 33.189 32.008 1.181 19085 2603 1 17 . 1 1 12 12 VAL N N 12 110.024 110.024 114.425 -4.401 19085 2604 1 17 . 1 1 12 12 VAL HA H 12 4.447 4.447 4.784 -0.337 19085 2605 1 17 . 1 1 12 12 VAL H H 12 8.078 8.078 8.381 -0.303 19085 2606 1 17 . 1 1 13 13 CYS N N 13 120.371 120.371 120.232 0.139 19085 2607 1 17 . 1 1 13 13 CYS HA H 13 5.222 5.222 5.618 -0.396 19085 2608 1 17 . 1 1 13 13 CYS CA C 13 53.837 53.837 57.805 -3.968 19085 2609 1 17 . 1 1 13 13 CYS CB C 13 38.384 38.384 30.264 8.120 19085 2610 1 17 . 1 1 13 13 CYS H H 13 8.431 8.431 8.886 -0.455 19085 2611 1 17 . 1 1 14 14 GLY N N 14 116.333 116.333 112.504 3.829 19085 2612 1 17 . 1 1 14 14 GLY CA C 14 45.741 45.741 44.381 1.360 19085 2613 1 17 . 1 1 14 14 GLY H H 14 9.577 9.577 9.245 0.332 19085 2614 1 17 . 1 1 15 15 LYS N N 15 122.042 122.042 119.899 2.143 19085 2615 1 17 . 1 1 15 15 LYS HA H 15 4.004 4.004 4.107 -0.103 19085 2616 1 17 . 1 1 15 15 LYS CA C 15 59.084 59.084 58.563 0.520 19085 2617 1 17 . 1 1 15 15 LYS CB C 15 32.259 32.259 32.384 -0.125 19085 2618 1 17 . 1 1 15 15 LYS H H 15 8.838 8.838 8.347 0.491 19085 2619 1 17 . 1 1 16 16 ASP N N 16 116.512 116.512 115.887 0.625 19085 2620 1 17 . 1 1 16 16 ASP HA H 16 4.405 4.405 4.603 -0.198 19085 2621 1 17 . 1 1 16 16 ASP CB C 16 39.824 39.824 39.783 0.041 19085 2622 1 17 . 1 1 16 16 ASP H H 16 8.354 8.354 7.957 0.397 19085 2623 1 17 . 1 1 17 17 GLY N N 17 108.685 108.685 109.011 -0.326 19085 2624 1 17 . 1 1 17 17 GLY CA C 17 45.730 45.730 45.733 -0.003 19085 2625 1 17 . 1 1 17 17 GLY H H 17 8.215 8.215 7.991 0.224 19085 2626 1 17 . 1 1 18 18 LYS N N 18 121.419 121.419 120.418 1.001 19085 2627 1 17 . 1 1 18 18 LYS HA H 18 4.396 4.396 4.729 -0.333 19085 2628 1 17 . 1 1 18 18 LYS CA C 18 54.813 54.813 53.719 1.094 19085 2629 1 17 . 1 1 18 18 LYS CB C 18 33.625 33.625 33.998 -0.373 19085 2630 1 17 . 1 1 18 18 LYS H H 18 7.827 7.827 8.233 -0.406 19085 2631 1 17 . 1 1 19 19 THR N N 19 121.800 121.800 118.940 2.860 19085 2632 1 17 . 1 1 19 19 THR HA H 19 4.843 4.843 4.830 0.013 19085 2633 1 17 . 1 1 19 19 THR CB C 19 69.515 69.515 69.208 0.307 19085 2634 1 17 . 1 1 19 19 THR H H 19 8.344 8.344 8.466 -0.122 19085 2635 1 17 . 1 1 20 20 TYR N N 20 127.910 127.910 127.380 0.530 19085 2636 1 17 . 1 1 20 20 TYR HA H 20 4.508 4.508 4.860 -0.352 19085 2637 1 17 . 1 1 20 20 TYR CB C 20 41.681 41.681 40.857 0.824 19085 2638 1 17 . 1 1 20 20 TYR H H 20 9.355 9.355 9.287 0.068 19085 2639 1 17 . 1 1 21 21 SER N N 21 116.849 116.849 117.774 -0.925 19085 2640 1 17 . 1 1 21 21 SER HA H 21 3.804 3.804 4.124 -0.320 19085 2641 1 17 . 1 1 21 21 SER CA C 21 61.968 61.968 61.667 0.301 19085 2642 1 17 . 1 1 21 21 SER CB C 21 63.517 63.517 63.774 -0.257 19085 2643 1 17 . 1 1 21 21 SER H H 21 9.035 9.035 9.044 -0.009 19085 2644 1 17 . 1 1 22 22 ASN N N 22 105.634 105.634 115.887 -10.253 19085 2645 1 17 . 1 1 22 22 ASN HA H 22 4.813 4.813 4.989 -0.176 19085 2646 1 17 . 1 1 22 22 ASN CB C 22 40.080 40.080 39.789 0.291 19085 2647 1 17 . 1 1 22 22 ASN H H 22 7.344 7.344 8.222 -0.878 19085 2648 1 17 . 1 1 23 23 LEU N N 23 118.802 118.802 120.946 -2.144 19085 2649 1 17 . 1 1 23 23 LEU HA H 23 3.857 3.857 4.086 -0.229 19085 2650 1 17 . 1 1 23 23 LEU CA C 23 57.560 57.560 57.479 0.081 19085 2651 1 17 . 1 1 23 23 LEU CB C 23 42.864 42.864 41.895 0.969 19085 2652 1 17 . 1 1 23 23 LEU H H 23 8.832 8.832 8.587 0.245 19085 2653 1 17 . 1 1 24 24 CYS N N 24 119.567 119.567 117.528 2.039 19085 2654 1 17 . 1 1 24 24 CYS HA H 24 4.139 4.139 3.943 0.196 19085 2655 1 17 . 1 1 24 24 CYS CA C 24 60.622 60.622 62.746 -2.124 19085 2656 1 17 . 1 1 24 24 CYS CB C 24 35.293 35.293 25.310 9.983 19085 2657 1 17 . 1 1 24 24 CYS H H 24 8.180 8.180 8.264 -0.084 19085 2658 1 17 . 1 1 25 25 TRP N N 25 120.561 120.561 119.959 0.602 19085 2659 1 17 . 1 1 25 25 TRP HA H 25 4.340 4.340 4.592 -0.252 19085 2660 1 17 . 1 1 25 25 TRP CB C 25 30.325 30.325 29.258 1.067 19085 2661 1 17 . 1 1 25 25 TRP H H 25 7.587 7.587 7.483 0.104 19085 2662 1 17 . 1 1 26 26 LEU N N 26 122.581 122.581 121.168 1.413 19085 2663 1 17 . 1 1 26 26 LEU HA H 26 2.935 2.935 2.825 0.110 19085 2664 1 17 . 1 1 26 26 LEU CA C 26 58.635 58.635 57.212 1.423 19085 2665 1 17 . 1 1 26 26 LEU CB C 26 41.365 41.365 41.184 0.180 19085 2666 1 17 . 1 1 26 26 LEU H H 26 7.312 7.312 7.426 -0.114 19085 2667 1 17 . 1 1 27 27 ASN N N 27 117.645 117.645 117.278 0.367 19085 2668 1 17 . 1 1 27 27 ASN HA H 27 4.411 4.411 4.317 0.094 19085 2669 1 17 . 1 1 27 27 ASN CB C 27 37.644 37.644 38.653 -1.009 19085 2670 1 17 . 1 1 27 27 ASN H H 27 8.444 8.444 8.337 0.107 19085 2671 1 17 . 1 1 28 28 GLU N N 28 121.101 121.101 119.515 1.586 19085 2672 1 17 . 1 1 28 28 GLU HA H 28 4.017 4.017 4.105 -0.088 19085 2673 1 17 . 1 1 28 28 GLU CA C 28 58.804 58.804 58.471 0.333 19085 2674 1 17 . 1 1 28 28 GLU CB C 28 28.166 28.166 29.699 -1.533 19085 2675 1 17 . 1 1 28 28 GLU H H 28 8.365 8.365 7.963 0.402 19085 2676 1 17 . 1 1 29 29 ALA N N 29 120.397 120.397 119.397 1.000 19085 2677 1 17 . 1 1 29 29 ALA HA H 29 4.335 4.335 4.378 -0.043 19085 2678 1 17 . 1 1 29 29 ALA CA C 29 52.561 52.561 52.325 0.236 19085 2679 1 17 . 1 1 29 29 ALA CB C 29 18.678 18.678 19.091 -0.413 19085 2680 1 17 . 1 1 29 29 ALA H H 29 7.530 7.530 7.885 -0.355 19085 2681 1 17 . 1 1 30 30 GLY N N 30 106.021 106.021 106.536 -0.515 19085 2682 1 17 . 1 1 30 30 GLY CA C 30 46.111 46.111 45.221 0.890 19085 2683 1 17 . 1 1 30 30 GLY H H 30 7.793 7.793 7.619 0.174 19085 2684 1 17 . 1 1 31 31 VAL N N 31 116.550 116.550 119.653 -3.103 19085 2685 1 17 . 1 1 31 31 VAL HA H 31 4.066 4.066 4.237 -0.171 19085 2686 1 17 . 1 1 31 31 VAL CA C 31 60.934 60.934 61.546 -0.612 19085 2687 1 17 . 1 1 31 31 VAL H H 31 6.611 6.611 7.240 -0.629 19085 2688 1 17 . 1 1 32 32 GLY N N 32 110.423 110.423 112.362 -1.939 19085 2689 1 17 . 1 1 32 32 GLY CA C 32 44.572 44.572 44.100 0.472 19085 2690 1 17 . 1 1 32 32 GLY H H 32 8.551 8.551 8.355 0.196 19085 2691 1 17 . 1 1 33 33 LEU N N 33 124.291 124.291 122.086 2.205 19085 2692 1 17 . 1 1 33 33 LEU HA H 33 3.949 3.949 4.161 -0.212 19085 2693 1 17 . 1 1 33 33 LEU CA C 33 55.823 55.823 55.696 0.127 19085 2694 1 17 . 1 1 33 33 LEU CB C 33 43.070 43.070 43.195 -0.125 19085 2695 1 17 . 1 1 33 33 LEU H H 33 8.613 8.613 8.365 0.248 19085 2696 1 17 . 1 1 34 34 ASP N N 34 126.710 126.710 125.127 1.583 19085 2697 1 17 . 1 1 34 34 ASP HA H 34 4.789 4.789 4.631 0.158 19085 2698 1 17 . 1 1 34 34 ASP CB C 34 42.065 42.065 43.210 -1.145 19085 2699 1 17 . 1 1 34 34 ASP H H 34 9.091 9.091 8.764 0.327 19085 2700 1 17 . 1 1 35 35 HIS N N 35 106.163 106.163 118.660 -12.497 19085 2701 1 17 . 1 1 35 35 HIS HA H 35 4.822 4.822 4.935 -0.113 19085 2702 1 17 . 1 1 35 35 HIS CB C 35 30.351 30.351 32.168 -1.817 19085 2703 1 17 . 1 1 35 35 HIS H H 35 7.302 7.302 8.244 -0.942 19085 2704 1 17 . 1 1 36 36 GLU N N 36 120.636 120.636 120.980 -0.344 19085 2705 1 17 . 1 1 36 36 GLU HA H 36 4.209 4.209 4.205 0.004 19085 2706 1 17 . 1 1 36 36 GLU CA C 36 57.734 57.734 56.233 1.501 19085 2707 1 17 . 1 1 36 36 GLU CB C 36 29.241 29.241 31.021 -1.780 19085 2708 1 17 . 1 1 36 36 GLU H H 36 9.309 9.309 8.791 0.518 19085 2709 1 17 . 1 1 37 37 GLY N N 37 115.205 115.205 111.482 3.723 19085 2710 1 17 . 1 1 37 37 GLY CA C 37 44.550 44.550 44.356 0.194 19085 2711 1 17 . 1 1 37 37 GLY H H 37 8.153 8.153 8.014 0.139 19085 2712 1 17 . 1 1 38 38 GLU N N 38 112.146 112.146 119.094 -6.948 19085 2713 1 17 . 1 1 38 38 GLU HA H 38 3.899 3.899 4.267 -0.368 19085 2714 1 17 . 1 1 38 38 GLU CA C 38 56.221 56.221 55.921 0.300 19085 2715 1 17 . 1 1 38 38 GLU CB C 38 29.513 29.513 30.539 -1.026 19085 2716 1 17 . 1 1 38 38 GLU H H 38 8.099 8.099 8.421 -0.322 19085 2717 1 17 . 1 1 39 39 CYS N N 39 119.239 119.239 118.897 0.342 19085 2718 1 17 . 1 1 39 39 CYS HA H 39 4.556 4.556 5.002 -0.446 19085 2719 1 17 . 1 1 39 39 CYS CB C 39 37.325 37.325 30.183 7.142 19085 2720 1 17 . 1 1 39 39 CYS H H 39 8.370 8.370 9.025 -0.655 19085 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 37 3.763 0.412 3.792 19085 2 1 1 "Average Difference" HA 43 0.300 0.056 0.298 19085 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19085 4 1 1 "Average Difference" CA 24 1.100 0.037 1.123 19085 5 1 1 "Average Difference" CB 29 3.218 -0.742 3.186 19085 6 1 1 "Average Difference" HN 37 0.390 -0.027 0.394 19085 7 1 2 "Average Difference" N 37 4.249 0.429 4.286 19085 8 1 2 "Average Difference" HA 43 0.285 0.045 0.285 19085 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19085 10 1 2 "Average Difference" CA 24 1.282 0.055 1.309 19085 11 1 2 "Average Difference" CB 29 3.257 -0.867 3.195 19085 12 1 2 "Average Difference" HN 37 0.409 -0.092 0.404 19085 13 1 3 "Average Difference" N 37 3.783 0.597 3.787 19085 14 1 3 "Average Difference" HA 43 0.292 0.046 0.291 19085 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19085 16 1 3 "Average Difference" CA 24 1.034 -0.211 1.034 19085 17 1 3 "Average Difference" CB 29 3.344 -0.842 3.294 19085 18 1 3 "Average Difference" HN 37 0.389 -0.011 0.394 19085 19 1 4 "Average Difference" N 37 3.962 0.630 3.966 19085 20 1 4 "Average Difference" HA 43 0.279 0.048 0.278 19085 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19085 22 1 4 "Average Difference" CA 24 1.106 -0.157 1.118 19085 23 1 4 "Average Difference" CB 29 3.324 -0.782 3.287 19085 24 1 4 "Average Difference" HN 37 0.374 -0.068 0.373 19085 25 1 5 "Average Difference" N 37 3.861 0.650 3.858 19085 26 1 5 "Average Difference" HA 43 0.282 0.035 0.283 19085 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19085 28 1 5 "Average Difference" CA 24 1.139 -0.043 1.163 19085 29 1 5 "Average Difference" CB 29 3.381 -0.885 3.321 19085 30 1 5 "Average Difference" HN 37 0.413 -0.019 0.418 19085 31 1 6 "Average Difference" N 37 4.102 0.631 4.109 19085 32 1 6 "Average Difference" HA 43 0.301 0.056 0.299 19085 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19085 34 1 6 "Average Difference" CA 24 1.155 -0.083 1.177 19085 35 1 6 "Average Difference" CB 29 3.351 -0.922 3.279 19085 36 1 6 "Average Difference" HN 37 0.443 -0.032 0.447 19085 37 1 7 "Average Difference" N 37 3.792 0.386 3.824 19085 38 1 7 "Average Difference" HA 43 0.278 0.052 0.276 19085 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19085 40 1 7 "Average Difference" CA 24 1.108 0.047 1.131 19085 41 1 7 "Average Difference" CB 29 3.271 -0.802 3.227 19085 42 1 7 "Average Difference" HN 37 0.439 0.009 0.445 19085 43 1 8 "Average Difference" N 37 3.846 0.845 3.804 19085 44 1 8 "Average Difference" HA 43 0.285 0.050 0.284 19085 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19085 46 1 8 "Average Difference" CA 24 1.178 -0.083 1.200 19085 47 1 8 "Average Difference" CB 29 3.257 -0.890 3.189 19085 48 1 8 "Average Difference" HN 37 0.399 -0.038 0.402 19085 49 1 9 "Average Difference" N 37 4.056 0.379 4.094 19085 50 1 9 "Average Difference" HA 43 0.265 0.048 0.263 19085 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19085 52 1 9 "Average Difference" CA 24 1.201 0.031 1.226 19085 53 1 9 "Average Difference" CB 29 3.159 -0.768 3.118 19085 54 1 9 "Average Difference" HN 37 0.430 -0.102 0.423 19085 55 1 10 "Average Difference" N 37 3.691 0.546 3.701 19085 56 1 10 "Average Difference" HA 43 0.303 0.040 0.304 19085 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19085 58 1 10 "Average Difference" CA 24 1.136 -0.145 1.151 19085 59 1 10 "Average Difference" CB 29 3.410 -0.802 3.373 19085 60 1 10 "Average Difference" HN 37 0.417 -0.051 0.420 19085 61 1 11 "Average Difference" N 37 3.860 0.447 3.887 19085 62 1 11 "Average Difference" HA 43 0.291 0.054 0.290 19085 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19085 64 1 11 "Average Difference" CA 24 1.030 -0.253 1.019 19085 65 1 11 "Average Difference" CB 29 3.351 -0.744 3.325 19085 66 1 11 "Average Difference" HN 37 0.445 -0.015 0.451 19085 67 1 12 "Average Difference" N 37 3.865 0.493 3.886 19085 68 1 12 "Average Difference" HA 43 0.293 0.056 0.291 19085 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19085 70 1 12 "Average Difference" CA 24 1.110 -0.156 1.123 19085 71 1 12 "Average Difference" CB 29 3.241 -0.802 3.195 19085 72 1 12 "Average Difference" HN 37 0.436 -0.010 0.442 19085 73 1 13 "Average Difference" N 37 4.154 0.372 4.194 19085 74 1 13 "Average Difference" HA 43 0.297 0.052 0.295 19085 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19085 76 1 13 "Average Difference" CA 24 1.138 -0.173 1.149 19085 77 1 13 "Average Difference" CB 29 3.230 -0.715 3.206 19085 78 1 13 "Average Difference" HN 37 0.374 -0.098 0.366 19085 79 1 14 "Average Difference" N 37 3.678 0.365 3.710 19085 80 1 14 "Average Difference" HA 43 0.292 0.053 0.290 19085 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19085 82 1 14 "Average Difference" CA 24 1.141 -0.093 1.161 19085 83 1 14 "Average Difference" CB 29 3.171 -0.745 3.137 19085 84 1 14 "Average Difference" HN 37 0.425 -0.036 0.429 19085 85 1 15 "Average Difference" N 37 3.746 0.446 3.771 19085 86 1 15 "Average Difference" HA 43 0.305 0.057 0.304 19085 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19085 88 1 15 "Average Difference" CA 24 1.011 -0.321 0.979 19085 89 1 15 "Average Difference" CB 29 3.427 -0.800 3.392 19085 90 1 15 "Average Difference" HN 37 0.423 -0.033 0.428 19085 91 1 16 "Average Difference" N 37 3.635 0.548 3.643 19085 92 1 16 "Average Difference" HA 43 0.288 0.031 0.290 19085 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19085 94 1 16 "Average Difference" CA 24 1.117 -0.075 1.138 19085 95 1 16 "Average Difference" CB 29 3.300 -0.985 3.205 19085 96 1 16 "Average Difference" HN 37 0.393 -0.032 0.397 19085 97 1 17 "Average Difference" N 37 3.810 0.567 3.819 19085 98 1 17 "Average Difference" HA 43 0.339 0.095 0.329 19085 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19085 100 1 17 "Average Difference" CA 24 1.174 -0.161 1.187 19085 101 1 17 "Average Difference" CB 29 3.202 -0.726 3.174 19085 102 1 17 "Average Difference" HN 37 0.389 0.020 0.394 19085 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 19085 _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 N N 2 126.951 126.951 124.173 2.778 19085 2 1 . 1 1 2 2 ALA HA H 2 4.301 4.301 4.551 -0.250 19085 3 1 . 1 1 2 2 ALA CA C 2 52.406 52.406 52.512 -0.106 19085 4 1 . 1 1 2 2 ALA CB C 2 19.210 19.210 19.451 -0.241 19085 5 1 . 1 1 2 2 ALA H H 2 8.685 8.685 8.385 0.300 19085 6 1 . 1 1 3 3 ALA N N 3 124.358 124.358 121.774 2.584 19085 7 1 . 1 1 3 3 ALA HA H 3 4.269 4.269 4.335 -0.066 19085 8 1 . 1 1 3 3 ALA CA C 3 52.178 52.178 52.352 -0.174 19085 9 1 . 1 1 3 3 ALA CB C 3 19.345 19.345 19.355 -0.010 19085 10 1 . 1 1 3 3 ALA H H 3 8.328 8.328 8.026 0.302 19085 11 1 . 1 1 4 4 VAL N N 4 119.842 119.842 115.348 4.494 19085 12 1 . 1 1 4 4 VAL HA H 4 3.949 3.949 4.302 -0.353 19085 13 1 . 1 1 4 4 VAL CA C 4 62.170 62.170 62.305 -0.135 19085 14 1 . 1 1 4 4 VAL CB C 4 32.626 32.626 32.225 0.401 19085 15 1 . 1 1 4 4 VAL H H 4 8.107 8.107 8.120 -0.013 19085 16 1 . 1 1 5 5 CYS N N 5 121.502 121.502 121.063 0.439 19085 17 1 . 1 1 5 5 CYS HA H 5 4.633 4.633 4.627 0.006 19085 18 1 . 1 1 5 5 CYS CB C 5 35.325 35.325 28.517 6.808 19085 19 1 . 1 1 5 5 CYS H H 5 7.666 7.666 7.848 -0.182 19085 20 1 . 1 1 6 6 THR N N 6 109.529 109.529 115.558 -6.029 19085 21 1 . 1 1 6 6 THR HA H 6 4.674 4.674 4.492 0.182 19085 22 1 . 1 1 6 6 THR H H 6 8.411 8.411 8.163 0.248 19085 23 1 . 1 1 7 7 THR N N 7 112.520 112.520 110.136 2.384 19085 24 1 . 1 1 7 7 THR HA H 7 4.729 4.729 4.383 0.346 19085 25 1 . 1 1 7 7 THR H H 7 8.362 8.362 8.242 0.120 19085 26 1 . 1 1 8 8 GLU N N 8 123.121 123.121 121.793 1.328 19085 27 1 . 1 1 8 8 GLU HA H 8 4.138 4.138 4.332 -0.194 19085 28 1 . 1 1 8 8 GLU CA C 8 57.299 57.299 55.975 1.324 19085 29 1 . 1 1 8 8 GLU CB C 8 29.033 29.033 30.160 -1.127 19085 30 1 . 1 1 8 8 GLU H H 8 7.885 7.885 7.768 0.117 19085 31 1 . 1 1 9 9 TRP N N 9 126.973 126.973 127.896 -0.923 19085 32 1 . 1 1 9 9 TRP HA H 9 4.938 4.938 4.530 0.408 19085 33 1 . 1 1 9 9 TRP CB C 9 29.305 29.305 29.379 -0.074 19085 34 1 . 1 1 9 9 TRP H H 9 8.799 8.799 8.560 0.239 19085 35 1 . 1 1 10 10 ASP N N 10 126.641 126.641 128.708 -2.067 19085 36 1 . 1 1 10 10 ASP HA H 10 4.656 4.656 4.748 -0.092 19085 37 1 . 1 1 10 10 ASP CA C 10 50.047 50.047 50.572 -0.525 19085 38 1 . 1 1 10 10 ASP CB C 10 38.489 38.489 42.168 -3.679 19085 39 1 . 1 1 10 10 ASP H H 10 8.790 8.790 7.942 0.848 19085 40 1 . 1 1 11 11 PRO HA H 11 4.054 4.054 4.740 -0.686 19085 41 1 . 1 1 11 11 PRO CA C 11 62.749 62.749 62.230 0.519 19085 42 1 . 1 1 11 11 PRO CB C 11 33.189 33.189 31.928 1.261 19085 43 1 . 1 1 12 12 VAL N N 12 110.024 110.024 115.621 -5.597 19085 44 1 . 1 1 12 12 VAL HA H 12 4.447 4.447 4.753 -0.306 19085 45 1 . 1 1 12 12 VAL H H 12 8.078 8.078 8.411 -0.333 19085 46 1 . 1 1 13 13 CYS N N 13 120.371 120.371 120.687 -0.316 19085 47 1 . 1 1 13 13 CYS HA H 13 5.222 5.222 5.513 -0.291 19085 48 1 . 1 1 13 13 CYS CA C 13 53.837 53.837 57.006 -3.169 19085 49 1 . 1 1 13 13 CYS CB C 13 38.384 38.384 29.780 8.604 19085 50 1 . 1 1 13 13 CYS H H 13 8.431 8.431 8.864 -0.433 19085 51 1 . 1 1 14 14 GLY N N 14 116.333 116.333 113.716 2.617 19085 52 1 . 1 1 14 14 GLY CA C 14 45.741 45.741 44.255 1.486 19085 53 1 . 1 1 14 14 GLY H H 14 9.577 9.577 9.264 0.313 19085 54 1 . 1 1 15 15 LYS N N 15 122.042 122.042 119.781 2.261 19085 55 1 . 1 1 15 15 LYS HA H 15 4.004 4.004 4.146 -0.142 19085 56 1 . 1 1 15 15 LYS CA C 15 59.084 59.084 58.577 0.507 19085 57 1 . 1 1 15 15 LYS CB C 15 32.259 32.259 32.464 -0.205 19085 58 1 . 1 1 15 15 LYS H H 15 8.838 8.838 8.505 0.333 19085 59 1 . 1 1 16 16 ASP N N 16 116.512 116.512 116.623 -0.111 19085 60 1 . 1 1 16 16 ASP HA H 16 4.405 4.405 4.657 -0.252 19085 61 1 . 1 1 16 16 ASP CB C 16 39.824 39.824 40.113 -0.289 19085 62 1 . 1 1 16 16 ASP H H 16 8.354 8.354 7.971 0.383 19085 63 1 . 1 1 17 17 GLY N N 17 108.685 108.685 107.796 0.889 19085 64 1 . 1 1 17 17 GLY CA C 17 45.730 45.730 45.686 0.044 19085 65 1 . 1 1 17 17 GLY H H 17 8.215 8.215 7.947 0.268 19085 66 1 . 1 1 18 18 LYS N N 18 121.419 121.419 120.756 0.663 19085 67 1 . 1 1 18 18 LYS HA H 18 4.396 4.396 4.473 -0.077 19085 68 1 . 1 1 18 18 LYS CA C 18 54.813 54.813 54.667 0.146 19085 69 1 . 1 1 18 18 LYS CB C 18 33.625 33.625 33.481 0.144 19085 70 1 . 1 1 18 18 LYS H H 18 7.827 7.827 7.923 -0.096 19085 71 1 . 1 1 19 19 THR N N 19 121.800 121.800 119.173 2.627 19085 72 1 . 1 1 19 19 THR HA H 19 4.843 4.843 4.870 -0.027 19085 73 1 . 1 1 19 19 THR CB C 19 69.515 69.515 69.258 0.257 19085 74 1 . 1 1 19 19 THR H H 19 8.344 8.344 8.429 -0.085 19085 75 1 . 1 1 20 20 TYR N N 20 127.910 127.910 126.602 1.308 19085 76 1 . 1 1 20 20 TYR HA H 20 4.508 4.508 4.825 -0.317 19085 77 1 . 1 1 20 20 TYR CB C 20 41.681 41.681 40.819 0.862 19085 78 1 . 1 1 20 20 TYR H H 20 9.355 9.355 9.184 0.171 19085 79 1 . 1 1 21 21 SER N N 21 116.849 116.849 118.265 -1.416 19085 80 1 . 1 1 21 21 SER HA H 21 3.804 3.804 4.089 -0.285 19085 81 1 . 1 1 21 21 SER CA C 21 61.968 61.968 61.204 0.763 19085 82 1 . 1 1 21 21 SER CB C 21 63.517 63.517 63.636 -0.119 19085 83 1 . 1 1 21 21 SER H H 21 9.035 9.035 8.987 0.048 19085 84 1 . 1 1 22 22 ASN N N 22 105.634 105.634 116.643 -11.009 19085 85 1 . 1 1 22 22 ASN HA H 22 4.813 4.813 4.962 -0.149 19085 86 1 . 1 1 22 22 ASN CB C 22 40.080 40.080 39.801 0.279 19085 87 1 . 1 1 22 22 ASN H H 22 7.344 7.344 8.060 -0.716 19085 88 1 . 1 1 23 23 LEU N N 23 118.802 118.802 120.948 -2.146 19085 89 1 . 1 1 23 23 LEU HA H 23 3.857 3.857 4.163 -0.306 19085 90 1 . 1 1 23 23 LEU CA C 23 57.560 57.560 57.326 0.234 19085 91 1 . 1 1 23 23 LEU CB C 23 42.864 42.864 41.894 0.970 19085 92 1 . 1 1 23 23 LEU H H 23 8.832 8.832 8.450 0.382 19085 93 1 . 1 1 24 24 CYS N N 24 119.567 119.567 118.761 0.806 19085 94 1 . 1 1 24 24 CYS HA H 24 4.139 4.139 3.990 0.149 19085 95 1 . 1 1 24 24 CYS CA C 24 60.622 60.622 62.758 -2.136 19085 96 1 . 1 1 24 24 CYS CB C 24 35.293 35.293 25.278 10.015 19085 97 1 . 1 1 24 24 CYS H H 24 8.180 8.180 8.087 0.093 19085 98 1 . 1 1 25 25 TRP N N 25 120.561 120.561 120.210 0.351 19085 99 1 . 1 1 25 25 TRP HA H 25 4.340 4.340 4.419 -0.079 19085 100 1 . 1 1 25 25 TRP CB C 25 30.325 30.325 29.344 0.981 19085 101 1 . 1 1 25 25 TRP H H 25 7.587 7.587 8.187 -0.600 19085 102 1 . 1 1 26 26 LEU N N 26 122.581 122.581 121.050 1.531 19085 103 1 . 1 1 26 26 LEU HA H 26 2.935 2.935 2.851 0.084 19085 104 1 . 1 1 26 26 LEU CA C 26 58.635 58.635 57.336 1.299 19085 105 1 . 1 1 26 26 LEU CB C 26 41.365 41.365 41.129 0.236 19085 106 1 . 1 1 26 26 LEU H H 26 7.312 7.312 7.453 -0.141 19085 107 1 . 1 1 27 27 ASN N N 27 117.645 117.645 117.431 0.214 19085 108 1 . 1 1 27 27 ASN HA H 27 4.411 4.411 4.302 0.109 19085 109 1 . 1 1 27 27 ASN CB C 27 37.644 37.644 38.698 -1.054 19085 110 1 . 1 1 27 27 ASN H H 27 8.444 8.444 8.206 0.238 19085 111 1 . 1 1 28 28 GLU N N 28 121.101 121.101 119.511 1.590 19085 112 1 . 1 1 28 28 GLU HA H 28 4.017 4.017 4.124 -0.107 19085 113 1 . 1 1 28 28 GLU CA C 28 58.804 58.804 58.464 0.341 19085 114 1 . 1 1 28 28 GLU CB C 28 28.166 28.166 29.401 -1.235 19085 115 1 . 1 1 28 28 GLU H H 28 8.365 8.365 8.214 0.151 19085 116 1 . 1 1 29 29 ALA N N 29 120.397 120.397 119.298 1.099 19085 117 1 . 1 1 29 29 ALA HA H 29 4.335 4.335 4.360 -0.025 19085 118 1 . 1 1 29 29 ALA CA C 29 52.561 52.561 52.289 0.272 19085 119 1 . 1 1 29 29 ALA CB C 29 18.678 18.678 19.026 -0.348 19085 120 1 . 1 1 29 29 ALA H H 29 7.530 7.530 7.697 -0.167 19085 121 1 . 1 1 30 30 GLY N N 30 106.021 106.021 107.249 -1.228 19085 122 1 . 1 1 30 30 GLY CA C 30 46.111 46.111 45.354 0.757 19085 123 1 . 1 1 30 30 GLY H H 30 7.793 7.793 7.623 0.170 19085 124 1 . 1 1 31 31 VAL N N 31 116.550 116.550 120.337 -3.787 19085 125 1 . 1 1 31 31 VAL HA H 31 4.066 4.066 4.156 -0.090 19085 126 1 . 1 1 31 31 VAL CA C 31 60.934 60.934 62.076 -1.142 19085 127 1 . 1 1 31 31 VAL H H 31 6.611 6.611 7.178 -0.567 19085 128 1 . 1 1 32 32 GLY N N 32 110.423 110.423 112.853 -2.430 19085 129 1 . 1 1 32 32 GLY CA C 32 44.572 44.572 44.250 0.322 19085 130 1 . 1 1 32 32 GLY H H 32 8.551 8.551 8.322 0.229 19085 131 1 . 1 1 33 33 LEU N N 33 124.291 124.291 122.357 1.934 19085 132 1 . 1 1 33 33 LEU HA H 33 3.949 3.949 4.167 -0.218 19085 133 1 . 1 1 33 33 LEU CA C 33 55.823 55.823 55.820 0.003 19085 134 1 . 1 1 33 33 LEU CB C 33 43.070 43.070 43.510 -0.440 19085 135 1 . 1 1 33 33 LEU H H 33 8.613 8.613 8.266 0.347 19085 136 1 . 1 1 34 34 ASP N N 34 126.710 126.710 124.417 2.293 19085 137 1 . 1 1 34 34 ASP HA H 34 4.789 4.789 4.700 0.089 19085 138 1 . 1 1 34 34 ASP CB C 34 42.065 42.065 43.406 -1.341 19085 139 1 . 1 1 34 34 ASP H H 34 9.091 9.091 8.668 0.423 19085 140 1 . 1 1 35 35 HIS N N 35 106.163 106.163 118.541 -12.378 19085 141 1 . 1 1 35 35 HIS HA H 35 4.822 4.822 4.902 -0.080 19085 142 1 . 1 1 35 35 HIS CB C 35 30.351 30.351 32.161 -1.811 19085 143 1 . 1 1 35 35 HIS H H 35 7.302 7.302 8.119 -0.817 19085 144 1 . 1 1 36 36 GLU N N 36 120.636 120.636 120.937 -0.301 19085 145 1 . 1 1 36 36 GLU HA H 36 4.209 4.209 4.218 -0.009 19085 146 1 . 1 1 36 36 GLU CA C 36 57.734 57.734 56.141 1.593 19085 147 1 . 1 1 36 36 GLU CB C 36 29.241 29.241 30.861 -1.620 19085 148 1 . 1 1 36 36 GLU H H 36 9.309 9.309 8.738 0.571 19085 149 1 . 1 1 37 37 GLY N N 37 115.205 115.205 111.776 3.429 19085 150 1 . 1 1 37 37 GLY CA C 37 44.550 44.550 44.382 0.168 19085 151 1 . 1 1 37 37 GLY H H 37 8.153 8.153 8.176 -0.023 19085 152 1 . 1 1 38 38 GLU N N 38 112.146 112.146 119.318 -7.172 19085 153 1 . 1 1 38 38 GLU HA H 38 3.899 3.899 4.240 -0.341 19085 154 1 . 1 1 38 38 GLU CA C 38 56.221 56.221 56.091 0.130 19085 155 1 . 1 1 38 38 GLU CB C 38 29.513 29.513 30.705 -1.192 19085 156 1 . 1 1 38 38 GLU H H 38 8.099 8.099 8.406 -0.307 19085 157 1 . 1 1 39 39 CYS N N 39 119.239 119.239 118.972 0.267 19085 158 1 . 1 1 39 39 CYS HA H 39 4.556 4.556 4.895 -0.339 19085 159 1 . 1 1 39 39 CYS CB C 39 37.325 37.325 29.782 7.543 19085 160 1 . 1 1 39 39 CYS H H 39 8.370 8.370 8.801 -0.431 19085 stop_ save_