data_19230 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19230 _Entry.PDB_ID 2M86 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 19230 _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 GLY N N 2 110.844 110.844 112.230 -1.386 19230 2 1 1 . 1 1 2 2 GLY H H 2 8.891 8.891 8.887 0.004 19230 3 1 1 . 1 1 3 3 SER N N 3 115.464 115.464 119.737 -4.273 19230 4 1 1 . 1 1 3 3 SER HA H 3 4.235 4.235 4.667 -0.432 19230 5 1 1 . 1 1 3 3 SER H H 3 8.320 8.320 8.549 -0.229 19230 6 1 1 . 1 1 4 4 GLY N N 4 107.189 107.189 108.890 -1.701 19230 7 1 1 . 1 1 4 4 GLY H H 4 8.571 8.571 7.949 0.622 19230 8 1 1 . 1 1 5 5 ALA N N 5 122.629 122.629 122.189 0.440 19230 9 1 1 . 1 1 5 5 ALA HA H 5 3.585 3.585 4.506 -0.921 19230 10 1 1 . 1 1 5 5 ALA H H 5 9.225 9.225 8.494 0.731 19230 11 1 1 . 1 1 6 6 SER N N 6 119.024 119.024 118.725 0.299 19230 12 1 1 . 1 1 6 6 SER HA H 6 4.127 4.127 4.368 -0.241 19230 13 1 1 . 1 1 6 6 SER H H 6 8.291 8.291 8.356 -0.065 19230 14 1 1 . 1 1 7 7 LYS N N 7 127.760 127.760 119.990 7.770 19230 15 1 1 . 1 1 7 7 LYS HA H 7 4.266 4.266 4.516 -0.250 19230 16 1 1 . 1 1 7 7 LYS H H 7 8.321 8.321 8.318 0.003 19230 17 1 1 . 1 1 8 8 ALA N N 8 125.595 125.595 123.529 2.066 19230 18 1 1 . 1 1 8 8 ALA HA H 8 4.219 4.219 4.508 -0.289 19230 19 1 1 . 1 1 8 8 ALA H H 8 8.200 8.200 7.640 0.560 19230 20 1 1 . 1 1 10 10 THR N N 10 111.647 111.647 115.569 -3.922 19230 21 1 1 . 1 1 10 10 THR HA H 10 4.080 4.080 4.539 -0.459 19230 22 1 1 . 1 1 10 10 THR H H 10 8.107 8.107 8.630 -0.523 19230 23 1 1 . 1 1 11 11 SER N N 11 115.520 115.520 116.519 -0.999 19230 24 1 1 . 1 1 11 11 SER HA H 11 4.157 4.157 4.846 -0.689 19230 25 1 1 . 1 1 11 11 SER H H 11 8.216 8.216 7.756 0.460 19230 26 1 1 . 1 1 12 12 PHE N N 12 123.128 123.128 123.597 -0.469 19230 27 1 1 . 1 1 12 12 PHE HA H 12 4.018 4.018 4.120 -0.102 19230 28 1 1 . 1 1 12 12 PHE H H 12 8.877 8.877 8.774 0.103 19230 29 1 1 . 1 1 13 13 ALA N N 13 123.710 123.710 118.326 5.384 19230 30 1 1 . 1 1 13 13 ALA HA H 13 4.157 4.157 4.445 -0.288 19230 31 1 1 . 1 1 13 13 ALA H H 13 8.068 8.068 8.547 -0.479 19230 32 1 1 . 1 1 14 14 GLU N N 14 122.703 122.703 120.313 2.390 19230 33 1 1 . 1 1 14 14 GLU HA H 14 4.142 4.142 4.038 0.104 19230 34 1 1 . 1 1 14 14 GLU H H 14 7.934 7.934 7.926 0.008 19230 35 1 1 . 1 1 15 15 TYR N N 15 116.589 116.589 120.174 -3.585 19230 36 1 1 . 1 1 15 15 TYR HA H 15 4.343 4.343 4.209 0.134 19230 37 1 1 . 1 1 15 15 TYR H H 15 7.394 7.394 8.179 -0.785 19230 38 1 1 . 1 1 16 16 TRP N N 16 118.490 118.490 118.867 -0.377 19230 39 1 1 . 1 1 16 16 TRP HA H 16 4.034 4.034 4.328 -0.294 19230 40 1 1 . 1 1 16 16 TRP H H 16 7.996 7.996 8.390 -0.394 19230 41 1 1 . 1 1 17 17 ASN N N 17 110.763 110.763 119.247 -8.484 19230 42 1 1 . 1 1 17 17 ASN HA H 17 4.328 4.328 4.390 -0.062 19230 43 1 1 . 1 1 17 17 ASN H H 17 8.470 8.470 7.692 0.778 19230 44 1 1 . 1 1 18 18 LEU N N 18 111.233 111.233 119.740 -8.507 19230 45 1 1 . 1 1 18 18 LEU HA H 18 3.771 3.771 4.035 -0.264 19230 46 1 1 . 1 1 18 18 LEU H H 18 8.449 8.449 7.875 0.574 19230 47 1 1 . 1 1 19 19 LEU N N 19 113.116 113.116 119.011 -5.895 19230 48 1 1 . 1 1 19 19 LEU HA H 19 4.018 4.018 4.023 -0.005 19230 49 1 1 . 1 1 19 19 LEU H H 19 7.456 7.456 7.634 -0.178 19230 50 1 1 . 1 1 20 20 SER N N 20 111.251 111.251 113.092 -1.841 19230 51 1 1 . 1 1 20 20 SER HA H 20 3.972 3.972 3.963 0.009 19230 52 1 1 . 1 1 20 20 SER H H 20 8.003 8.003 7.361 0.642 19230 53 1 1 . 1 1 21 21 ALA N N 21 123.375 123.375 125.520 -2.145 19230 54 1 1 . 1 1 21 21 ALA HA H 21 4.111 4.111 4.167 -0.056 19230 55 1 1 . 1 1 21 21 ALA H H 21 7.442 7.442 7.689 -0.247 19230 56 1 1 . 1 1 22 22 GLY N N 22 106.566 106.566 111.030 -4.464 19230 57 1 1 . 1 1 22 22 GLY H H 22 7.879 7.879 8.567 -0.688 19230 58 1 1 . 1 1 23 23 GLY N N 23 107.532 107.532 109.817 -2.285 19230 59 1 1 . 1 1 23 23 GLY H H 23 8.033 8.033 7.768 0.265 19230 60 1 1 . 1 1 24 24 VAL N N 24 117.804 117.804 121.754 -3.950 19230 61 1 1 . 1 1 24 24 VAL HA H 24 3.987 3.987 4.275 -0.288 19230 62 1 1 . 1 1 24 24 VAL H H 24 7.950 7.950 7.976 -0.026 19230 63 1 1 . 1 1 26 26 PRO HA H 26 4.420 4.420 4.617 -0.197 19230 64 1 1 . 1 1 27 27 LYS N N 27 120.668 120.668 115.736 4.932 19230 65 1 1 . 1 1 27 27 LYS HA H 27 4.096 4.096 3.771 0.325 19230 66 1 1 . 1 1 27 27 LYS H H 27 8.125 8.125 8.092 0.033 19230 67 1 1 . 1 1 28 28 ILE N N 28 121.619 121.619 117.776 3.843 19230 68 1 1 . 1 1 28 28 ILE HA H 28 4.204 4.204 3.975 0.229 19230 69 1 1 . 1 1 28 28 ILE H H 28 7.550 7.550 7.731 -0.181 19230 70 1 1 . 1 1 29 29 LEU N N 29 128.057 128.057 122.761 5.296 19230 71 1 1 . 1 1 29 29 LEU HA H 29 4.358 4.358 4.406 -0.048 19230 72 1 1 . 1 1 29 29 LEU H H 29 8.593 8.593 8.191 0.402 19230 73 1 1 . 1 1 30 30 GLN N N 30 126.353 126.353 120.184 6.169 19230 74 1 1 . 1 1 30 30 GLN HA H 30 4.358 4.358 4.336 0.022 19230 75 1 1 . 1 1 30 30 GLN H H 30 8.817 8.817 7.791 1.026 19230 76 1 1 . 1 1 31 31 ARG N N 31 127.641 127.641 125.784 1.857 19230 77 1 1 . 1 1 31 31 ARG HA H 31 4.266 4.266 4.269 -0.003 19230 78 1 1 . 1 1 31 31 ARG H H 31 8.659 8.659 8.487 0.172 19230 79 1 1 . 1 1 33 33 ARG N N 33 117.135 117.135 118.307 -1.172 19230 80 1 1 . 1 1 33 33 ARG HA H 33 4.575 4.575 4.465 0.110 19230 81 1 1 . 1 1 33 33 ARG H H 33 7.952 7.952 8.288 -0.336 19230 82 1 1 . 1 1 34 34 ARG N N 34 117.368 117.368 119.848 -2.480 19230 83 1 1 . 1 1 34 34 ARG HA H 34 4.266 4.266 4.376 -0.110 19230 84 1 1 . 1 1 34 34 ARG H H 34 9.221 9.221 8.348 0.873 19230 85 1 1 . 1 1 35 35 ASP N N 35 124.250 124.250 116.352 7.898 19230 86 1 1 . 1 1 35 35 ASP HA H 35 4.559 4.559 4.734 -0.175 19230 87 1 1 . 1 1 35 35 ASP H H 35 9.062 9.062 8.527 0.535 19230 88 1 1 . 1 1 36 36 SER N N 36 111.255 111.255 115.849 -4.594 19230 89 1 1 . 1 1 36 36 SER HA H 36 3.957 3.957 4.220 -0.263 19230 90 1 1 . 1 1 36 36 SER H H 36 8.009 8.009 8.241 -0.232 19230 91 1 1 . 1 1 37 37 ASP N N 37 120.379 120.379 120.047 0.332 19230 92 1 1 . 1 1 37 37 ASP HA H 37 4.374 4.374 4.569 -0.196 19230 93 1 1 . 1 1 37 37 ASP H H 37 7.592 7.592 8.313 -0.721 19230 94 1 1 . 1 1 39 39 PRO HA H 39 4.670 4.670 4.496 0.174 19230 95 1 1 . 1 1 40 40 GLY N N 40 107.269 107.269 112.431 -5.162 19230 96 1 1 . 1 1 40 40 GLY H H 40 8.425 8.425 8.814 -0.389 19230 97 1 1 . 1 1 41 41 ALA N N 41 125.640 125.640 123.780 1.860 19230 98 1 1 . 1 1 41 41 ALA HA H 41 4.219 4.219 4.475 -0.256 19230 99 1 1 . 1 1 41 41 ALA H H 41 8.198 8.198 7.876 0.322 19230 100 1 1 . 1 1 43 43 ILE N N 43 114.105 114.105 114.584 -0.479 19230 101 1 1 . 1 1 43 43 ILE HA H 43 4.250 4.250 4.334 -0.084 19230 102 1 1 . 1 1 43 43 ILE H H 43 8.879 8.879 7.859 1.020 19230 103 1 1 . 1 1 45 45 ARG N N 45 128.339 128.339 125.411 2.928 19230 104 1 1 . 1 1 45 45 ARG HA H 45 4.111 4.111 4.173 -0.062 19230 105 1 1 . 1 1 45 45 ARG H H 45 7.988 7.988 8.035 -0.047 19230 106 1 1 . 1 1 46 46 GLY N N 46 108.569 108.569 110.546 -1.977 19230 107 1 1 . 1 1 46 46 GLY H H 46 8.891 8.891 9.020 -0.129 19230 108 1 1 . 1 1 47 47 ASN N N 47 115.750 115.750 118.170 -2.420 19230 109 1 1 . 1 1 47 47 ASN HA H 47 4.482 4.482 4.735 -0.253 19230 110 1 1 . 1 1 47 47 ASN H H 47 7.648 7.648 7.934 -0.286 19230 111 1 1 . 1 1 48 48 GLY N N 48 107.292 107.292 105.582 1.710 19230 112 1 1 . 1 1 48 48 GLY H H 48 8.275 8.275 8.338 -0.063 19230 113 1 1 . 1 1 49 49 TYR N N 49 116.570 116.570 118.563 -1.993 19230 114 1 1 . 1 1 49 49 TYR HA H 49 5.054 5.054 5.148 -0.094 19230 115 1 1 . 1 1 49 49 TYR H H 49 7.170 7.170 7.597 -0.427 19230 116 1 2 . 1 1 2 2 GLY N N 2 110.844 110.844 107.669 3.175 19230 117 1 2 . 1 1 2 2 GLY H H 2 8.891 8.891 8.702 0.189 19230 118 1 2 . 1 1 3 3 SER N N 3 115.464 115.464 114.698 0.766 19230 119 1 2 . 1 1 3 3 SER HA H 3 4.235 4.235 4.783 -0.548 19230 120 1 2 . 1 1 3 3 SER H H 3 8.320 8.320 8.247 0.073 19230 121 1 2 . 1 1 4 4 GLY N N 4 107.189 107.189 108.512 -1.323 19230 122 1 2 . 1 1 4 4 GLY H H 4 8.571 8.571 7.329 1.242 19230 123 1 2 . 1 1 5 5 ALA N N 5 122.629 122.629 121.948 0.681 19230 124 1 2 . 1 1 5 5 ALA HA H 5 3.585 3.585 4.328 -0.743 19230 125 1 2 . 1 1 5 5 ALA H H 5 9.225 9.225 8.316 0.909 19230 126 1 2 . 1 1 6 6 SER N N 6 119.024 119.024 121.671 -2.647 19230 127 1 2 . 1 1 6 6 SER HA H 6 4.127 4.127 4.260 -0.133 19230 128 1 2 . 1 1 6 6 SER H H 6 8.291 8.291 8.690 -0.399 19230 129 1 2 . 1 1 7 7 LYS N N 7 127.760 127.760 118.211 9.549 19230 130 1 2 . 1 1 7 7 LYS HA H 7 4.266 4.266 4.456 -0.190 19230 131 1 2 . 1 1 7 7 LYS H H 7 8.321 8.321 7.771 0.550 19230 132 1 2 . 1 1 8 8 ALA N N 8 125.595 125.595 123.299 2.296 19230 133 1 2 . 1 1 8 8 ALA HA H 8 4.219 4.219 4.245 -0.026 19230 134 1 2 . 1 1 8 8 ALA H H 8 8.200 8.200 7.464 0.736 19230 135 1 2 . 1 1 10 10 THR N N 10 111.647 111.647 117.394 -5.747 19230 136 1 2 . 1 1 10 10 THR HA H 10 4.080 4.080 4.627 -0.547 19230 137 1 2 . 1 1 10 10 THR H H 10 8.107 8.107 8.164 -0.057 19230 138 1 2 . 1 1 11 11 SER N N 11 115.520 115.520 116.206 -0.686 19230 139 1 2 . 1 1 11 11 SER HA H 11 4.157 4.157 4.886 -0.729 19230 140 1 2 . 1 1 11 11 SER H H 11 8.216 8.216 7.787 0.429 19230 141 1 2 . 1 1 12 12 PHE N N 12 123.128 123.128 124.472 -1.344 19230 142 1 2 . 1 1 12 12 PHE HA H 12 4.018 4.018 4.129 -0.111 19230 143 1 2 . 1 1 12 12 PHE H H 12 8.877 8.877 8.729 0.148 19230 144 1 2 . 1 1 13 13 ALA N N 13 123.710 123.710 119.523 4.187 19230 145 1 2 . 1 1 13 13 ALA HA H 13 4.157 4.157 4.179 -0.022 19230 146 1 2 . 1 1 13 13 ALA H H 13 8.068 8.068 8.244 -0.176 19230 147 1 2 . 1 1 14 14 GLU N N 14 122.703 122.703 119.576 3.127 19230 148 1 2 . 1 1 14 14 GLU HA H 14 4.142 4.142 4.139 0.003 19230 149 1 2 . 1 1 14 14 GLU H H 14 7.934 7.934 8.617 -0.683 19230 150 1 2 . 1 1 15 15 TYR N N 15 116.589 116.589 119.085 -2.496 19230 151 1 2 . 1 1 15 15 TYR HA H 15 4.343 4.343 4.334 0.009 19230 152 1 2 . 1 1 15 15 TYR H H 15 7.394 7.394 7.833 -0.439 19230 153 1 2 . 1 1 16 16 TRP N N 16 118.490 118.490 120.937 -2.447 19230 154 1 2 . 1 1 16 16 TRP HA H 16 4.034 4.034 4.215 -0.181 19230 155 1 2 . 1 1 16 16 TRP H H 16 7.996 7.996 7.482 0.514 19230 156 1 2 . 1 1 17 17 ASN N N 17 110.763 110.763 117.765 -7.002 19230 157 1 2 . 1 1 17 17 ASN HA H 17 4.328 4.328 4.225 0.103 19230 158 1 2 . 1 1 17 17 ASN H H 17 8.470 8.470 8.227 0.243 19230 159 1 2 . 1 1 18 18 LEU N N 18 111.233 111.233 119.018 -7.785 19230 160 1 2 . 1 1 18 18 LEU HA H 18 3.771 3.771 4.270 -0.499 19230 161 1 2 . 1 1 18 18 LEU H H 18 8.449 8.449 7.865 0.584 19230 162 1 2 . 1 1 19 19 LEU N N 19 113.116 113.116 122.033 -8.917 19230 163 1 2 . 1 1 19 19 LEU HA H 19 4.018 4.018 4.568 -0.550 19230 164 1 2 . 1 1 19 19 LEU H H 19 7.456 7.456 7.668 -0.212 19230 165 1 2 . 1 1 20 20 SER N N 20 111.251 111.251 114.553 -3.302 19230 166 1 2 . 1 1 20 20 SER HA H 20 3.972 3.972 3.972 0.000 19230 167 1 2 . 1 1 20 20 SER H H 20 8.003 8.003 7.499 0.504 19230 168 1 2 . 1 1 21 21 ALA N N 21 123.375 123.375 126.594 -3.219 19230 169 1 2 . 1 1 21 21 ALA HA H 21 4.111 4.111 4.378 -0.267 19230 170 1 2 . 1 1 21 21 ALA H H 21 7.442 7.442 7.874 -0.432 19230 171 1 2 . 1 1 22 22 GLY N N 22 106.566 106.566 110.894 -4.328 19230 172 1 2 . 1 1 22 22 GLY H H 22 7.879 7.879 8.259 -0.380 19230 173 1 2 . 1 1 23 23 GLY N N 23 107.532 107.532 109.686 -2.154 19230 174 1 2 . 1 1 23 23 GLY H H 23 8.033 8.033 7.632 0.401 19230 175 1 2 . 1 1 24 24 VAL N N 24 117.804 117.804 121.351 -3.547 19230 176 1 2 . 1 1 24 24 VAL HA H 24 3.987 3.987 4.154 -0.167 19230 177 1 2 . 1 1 24 24 VAL H H 24 7.950 7.950 8.037 -0.087 19230 178 1 2 . 1 1 26 26 PRO HA H 26 4.420 4.420 4.361 0.059 19230 179 1 2 . 1 1 27 27 LYS N N 27 120.668 120.668 114.693 5.975 19230 180 1 2 . 1 1 27 27 LYS HA H 27 4.096 4.096 4.052 0.044 19230 181 1 2 . 1 1 27 27 LYS H H 27 8.125 8.125 8.097 0.028 19230 182 1 2 . 1 1 28 28 ILE N N 28 121.619 121.619 117.321 4.298 19230 183 1 2 . 1 1 28 28 ILE HA H 28 4.204 4.204 4.270 -0.066 19230 184 1 2 . 1 1 28 28 ILE H H 28 7.550 7.550 8.105 -0.555 19230 185 1 2 . 1 1 29 29 LEU N N 29 128.057 128.057 119.150 8.907 19230 186 1 2 . 1 1 29 29 LEU HA H 29 4.358 4.358 4.317 0.041 19230 187 1 2 . 1 1 29 29 LEU H H 29 8.593 8.593 8.127 0.466 19230 188 1 2 . 1 1 30 30 GLN N N 30 126.353 126.353 120.777 5.576 19230 189 1 2 . 1 1 30 30 GLN HA H 30 4.358 4.358 4.202 0.156 19230 190 1 2 . 1 1 30 30 GLN H H 30 8.817 8.817 7.874 0.943 19230 191 1 2 . 1 1 31 31 ARG N N 31 127.641 127.641 126.777 0.864 19230 192 1 2 . 1 1 31 31 ARG HA H 31 4.266 4.266 4.698 -0.432 19230 193 1 2 . 1 1 31 31 ARG H H 31 8.659 8.659 8.480 0.179 19230 194 1 2 . 1 1 33 33 ARG N N 33 117.135 117.135 118.916 -1.781 19230 195 1 2 . 1 1 33 33 ARG HA H 33 4.575 4.575 4.506 0.069 19230 196 1 2 . 1 1 33 33 ARG H H 33 7.952 7.952 8.235 -0.283 19230 197 1 2 . 1 1 34 34 ARG N N 34 117.368 117.368 118.408 -1.040 19230 198 1 2 . 1 1 34 34 ARG HA H 34 4.266 4.266 4.500 -0.234 19230 199 1 2 . 1 1 34 34 ARG H H 34 9.221 9.221 8.467 0.754 19230 200 1 2 . 1 1 35 35 ASP N N 35 124.250 124.250 118.480 5.770 19230 201 1 2 . 1 1 35 35 ASP HA H 35 4.559 4.559 4.650 -0.091 19230 202 1 2 . 1 1 35 35 ASP H H 35 9.062 9.062 8.604 0.458 19230 203 1 2 . 1 1 36 36 SER N N 36 111.255 111.255 114.735 -3.480 19230 204 1 2 . 1 1 36 36 SER HA H 36 3.957 3.957 4.310 -0.353 19230 205 1 2 . 1 1 36 36 SER H H 36 8.009 8.009 8.445 -0.436 19230 206 1 2 . 1 1 37 37 ASP N N 37 120.379 120.379 119.263 1.116 19230 207 1 2 . 1 1 37 37 ASP HA H 37 4.374 4.374 4.760 -0.386 19230 208 1 2 . 1 1 37 37 ASP H H 37 7.592 7.592 7.749 -0.157 19230 209 1 2 . 1 1 39 39 PRO HA H 39 4.670 4.670 4.257 0.413 19230 210 1 2 . 1 1 40 40 GLY N N 40 107.269 107.269 113.513 -6.244 19230 211 1 2 . 1 1 40 40 GLY H H 40 8.425 8.425 8.665 -0.240 19230 212 1 2 . 1 1 41 41 ALA N N 41 125.640 125.640 122.465 3.175 19230 213 1 2 . 1 1 41 41 ALA HA H 41 4.219 4.219 4.432 -0.213 19230 214 1 2 . 1 1 41 41 ALA H H 41 8.198 8.198 7.727 0.471 19230 215 1 2 . 1 1 43 43 ILE N N 43 114.105 114.105 118.852 -4.747 19230 216 1 2 . 1 1 43 43 ILE HA H 43 4.250 4.250 4.373 -0.123 19230 217 1 2 . 1 1 43 43 ILE H H 43 8.879 8.879 7.631 1.248 19230 218 1 2 . 1 1 45 45 ARG N N 45 128.339 128.339 127.447 0.892 19230 219 1 2 . 1 1 45 45 ARG HA H 45 4.111 4.111 4.168 -0.057 19230 220 1 2 . 1 1 45 45 ARG H H 45 7.988 7.988 8.145 -0.157 19230 221 1 2 . 1 1 46 46 GLY N N 46 108.569 108.569 112.848 -4.279 19230 222 1 2 . 1 1 46 46 GLY H H 46 8.891 8.891 9.099 -0.208 19230 223 1 2 . 1 1 47 47 ASN N N 47 115.750 115.750 118.928 -3.178 19230 224 1 2 . 1 1 47 47 ASN HA H 47 4.482 4.482 4.520 -0.038 19230 225 1 2 . 1 1 47 47 ASN H H 47 7.648 7.648 8.018 -0.369 19230 226 1 2 . 1 1 48 48 GLY N N 48 107.292 107.292 102.005 5.287 19230 227 1 2 . 1 1 48 48 GLY H H 48 8.275 8.275 7.937 0.338 19230 228 1 2 . 1 1 49 49 TYR N N 49 116.570 116.570 116.143 0.427 19230 229 1 2 . 1 1 49 49 TYR HA H 49 5.054 5.054 5.169 -0.115 19230 230 1 2 . 1 1 49 49 TYR H H 49 7.170 7.170 7.464 -0.294 19230 231 1 3 . 1 1 2 2 GLY N N 2 110.844 110.844 112.735 -1.891 19230 232 1 3 . 1 1 2 2 GLY H H 2 8.891 8.891 8.727 0.164 19230 233 1 3 . 1 1 3 3 SER N N 3 115.464 115.464 117.802 -2.338 19230 234 1 3 . 1 1 3 3 SER HA H 3 4.235 4.235 4.628 -0.393 19230 235 1 3 . 1 1 3 3 SER H H 3 8.320 8.320 7.790 0.530 19230 236 1 3 . 1 1 4 4 GLY N N 4 107.189 107.189 107.627 -0.438 19230 237 1 3 . 1 1 4 4 GLY H H 4 8.571 8.571 7.707 0.864 19230 238 1 3 . 1 1 5 5 ALA N N 5 122.629 122.629 122.189 0.440 19230 239 1 3 . 1 1 5 5 ALA HA H 5 3.585 3.585 4.225 -0.640 19230 240 1 3 . 1 1 5 5 ALA H H 5 9.225 9.225 8.528 0.697 19230 241 1 3 . 1 1 6 6 SER N N 6 119.024 119.024 118.558 0.466 19230 242 1 3 . 1 1 6 6 SER HA H 6 4.127 4.127 4.005 0.122 19230 243 1 3 . 1 1 6 6 SER H H 6 8.291 8.291 8.404 -0.113 19230 244 1 3 . 1 1 7 7 LYS N N 7 127.760 127.760 120.340 7.420 19230 245 1 3 . 1 1 7 7 LYS HA H 7 4.266 4.266 4.147 0.119 19230 246 1 3 . 1 1 7 7 LYS H H 7 8.321 8.321 8.110 0.211 19230 247 1 3 . 1 1 8 8 ALA N N 8 125.595 125.595 121.308 4.287 19230 248 1 3 . 1 1 8 8 ALA HA H 8 4.219 4.219 4.511 -0.292 19230 249 1 3 . 1 1 8 8 ALA H H 8 8.200 8.200 7.655 0.545 19230 250 1 3 . 1 1 10 10 THR N N 10 111.647 111.647 115.507 -3.860 19230 251 1 3 . 1 1 10 10 THR HA H 10 4.080 4.080 4.559 -0.479 19230 252 1 3 . 1 1 10 10 THR H H 10 8.107 8.107 8.511 -0.404 19230 253 1 3 . 1 1 11 11 SER N N 11 115.520 115.520 116.451 -0.931 19230 254 1 3 . 1 1 11 11 SER HA H 11 4.157 4.157 4.918 -0.761 19230 255 1 3 . 1 1 11 11 SER H H 11 8.216 8.216 7.881 0.335 19230 256 1 3 . 1 1 12 12 PHE N N 12 123.128 123.128 123.181 -0.053 19230 257 1 3 . 1 1 12 12 PHE HA H 12 4.018 4.018 4.245 -0.227 19230 258 1 3 . 1 1 12 12 PHE H H 12 8.877 8.877 8.533 0.344 19230 259 1 3 . 1 1 13 13 ALA N N 13 123.710 123.710 120.569 3.141 19230 260 1 3 . 1 1 13 13 ALA HA H 13 4.157 4.157 4.456 -0.299 19230 261 1 3 . 1 1 13 13 ALA H H 13 8.068 8.068 8.667 -0.599 19230 262 1 3 . 1 1 14 14 GLU N N 14 122.703 122.703 118.624 4.079 19230 263 1 3 . 1 1 14 14 GLU HA H 14 4.142 4.142 4.097 0.045 19230 264 1 3 . 1 1 14 14 GLU H H 14 7.934 7.934 8.753 -0.819 19230 265 1 3 . 1 1 15 15 TYR N N 15 116.589 116.589 119.291 -2.702 19230 266 1 3 . 1 1 15 15 TYR HA H 15 4.343 4.343 4.356 -0.013 19230 267 1 3 . 1 1 15 15 TYR H H 15 7.394 7.394 8.139 -0.745 19230 268 1 3 . 1 1 16 16 TRP N N 16 118.490 118.490 120.561 -2.071 19230 269 1 3 . 1 1 16 16 TRP HA H 16 4.034 4.034 4.484 -0.450 19230 270 1 3 . 1 1 16 16 TRP H H 16 7.996 7.996 7.618 0.378 19230 271 1 3 . 1 1 17 17 ASN N N 17 110.763 110.763 117.177 -6.414 19230 272 1 3 . 1 1 17 17 ASN HA H 17 4.328 4.328 4.267 0.061 19230 273 1 3 . 1 1 17 17 ASN H H 17 8.470 8.470 7.889 0.581 19230 274 1 3 . 1 1 18 18 LEU N N 18 111.233 111.233 118.788 -7.555 19230 275 1 3 . 1 1 18 18 LEU HA H 18 3.771 3.771 4.238 -0.467 19230 276 1 3 . 1 1 18 18 LEU H H 18 8.449 8.449 7.978 0.471 19230 277 1 3 . 1 1 19 19 LEU N N 19 113.116 113.116 119.180 -6.064 19230 278 1 3 . 1 1 19 19 LEU HA H 19 4.018 4.018 4.278 -0.260 19230 279 1 3 . 1 1 19 19 LEU H H 19 7.456 7.456 7.711 -0.255 19230 280 1 3 . 1 1 20 20 SER N N 20 111.251 111.251 110.043 1.208 19230 281 1 3 . 1 1 20 20 SER HA H 20 3.972 3.972 3.930 0.042 19230 282 1 3 . 1 1 20 20 SER H H 20 8.003 8.003 7.753 0.250 19230 283 1 3 . 1 1 21 21 ALA N N 21 123.375 123.375 121.957 1.418 19230 284 1 3 . 1 1 21 21 ALA HA H 21 4.111 4.111 4.595 -0.484 19230 285 1 3 . 1 1 21 21 ALA H H 21 7.442 7.442 8.153 -0.711 19230 286 1 3 . 1 1 22 22 GLY N N 22 106.566 106.566 111.625 -5.059 19230 287 1 3 . 1 1 22 22 GLY H H 22 7.879 7.879 8.615 -0.736 19230 288 1 3 . 1 1 23 23 GLY N N 23 107.532 107.532 110.620 -3.088 19230 289 1 3 . 1 1 23 23 GLY H H 23 8.033 8.033 7.804 0.229 19230 290 1 3 . 1 1 24 24 VAL N N 24 117.804 117.804 118.224 -0.420 19230 291 1 3 . 1 1 24 24 VAL HA H 24 3.987 3.987 4.465 -0.478 19230 292 1 3 . 1 1 24 24 VAL H H 24 7.950 7.950 7.884 0.066 19230 293 1 3 . 1 1 26 26 PRO HA H 26 4.420 4.420 4.344 0.076 19230 294 1 3 . 1 1 27 27 LYS N N 27 120.668 120.668 113.821 6.847 19230 295 1 3 . 1 1 27 27 LYS HA H 27 4.096 4.096 4.047 0.049 19230 296 1 3 . 1 1 27 27 LYS H H 27 8.125 8.125 8.204 -0.078 19230 297 1 3 . 1 1 28 28 ILE N N 28 121.619 121.619 118.111 3.508 19230 298 1 3 . 1 1 28 28 ILE HA H 28 4.204 4.204 4.151 0.053 19230 299 1 3 . 1 1 28 28 ILE H H 28 7.550 7.550 8.048 -0.498 19230 300 1 3 . 1 1 29 29 LEU N N 29 128.057 128.057 123.606 4.451 19230 301 1 3 . 1 1 29 29 LEU HA H 29 4.358 4.358 4.266 0.092 19230 302 1 3 . 1 1 29 29 LEU H H 29 8.593 8.593 8.542 0.051 19230 303 1 3 . 1 1 30 30 GLN N N 30 126.353 126.353 120.685 5.668 19230 304 1 3 . 1 1 30 30 GLN HA H 30 4.358 4.358 4.270 0.088 19230 305 1 3 . 1 1 30 30 GLN H H 30 8.817 8.817 8.103 0.714 19230 306 1 3 . 1 1 31 31 ARG N N 31 127.641 127.641 124.669 2.972 19230 307 1 3 . 1 1 31 31 ARG HA H 31 4.266 4.266 4.436 -0.170 19230 308 1 3 . 1 1 31 31 ARG H H 31 8.659 8.659 8.732 -0.073 19230 309 1 3 . 1 1 33 33 ARG N N 33 117.135 117.135 119.485 -2.350 19230 310 1 3 . 1 1 33 33 ARG HA H 33 4.575 4.575 4.465 0.110 19230 311 1 3 . 1 1 33 33 ARG H H 33 7.952 7.952 8.579 -0.627 19230 312 1 3 . 1 1 34 34 ARG N N 34 117.368 117.368 117.288 0.080 19230 313 1 3 . 1 1 34 34 ARG HA H 34 4.266 4.266 4.618 -0.352 19230 314 1 3 . 1 1 34 34 ARG H H 34 9.221 9.221 7.820 1.401 19230 315 1 3 . 1 1 35 35 ASP N N 35 124.250 124.250 119.756 4.494 19230 316 1 3 . 1 1 35 35 ASP HA H 35 4.559 4.559 4.475 0.084 19230 317 1 3 . 1 1 35 35 ASP H H 35 9.062 9.062 8.504 0.558 19230 318 1 3 . 1 1 36 36 SER N N 36 111.255 111.255 115.103 -3.848 19230 319 1 3 . 1 1 36 36 SER HA H 36 3.957 3.957 4.120 -0.163 19230 320 1 3 . 1 1 36 36 SER H H 36 8.009 8.009 8.132 -0.123 19230 321 1 3 . 1 1 37 37 ASP N N 37 120.379 120.379 118.920 1.459 19230 322 1 3 . 1 1 37 37 ASP HA H 37 4.374 4.374 4.530 -0.156 19230 323 1 3 . 1 1 37 37 ASP H H 37 7.592 7.592 8.300 -0.708 19230 324 1 3 . 1 1 39 39 PRO HA H 39 4.670 4.670 4.419 0.251 19230 325 1 3 . 1 1 40 40 GLY N N 40 107.269 107.269 111.139 -3.870 19230 326 1 3 . 1 1 40 40 GLY H H 40 8.425 8.425 8.845 -0.420 19230 327 1 3 . 1 1 41 41 ALA N N 41 125.640 125.640 124.598 1.042 19230 328 1 3 . 1 1 41 41 ALA HA H 41 4.219 4.219 4.491 -0.272 19230 329 1 3 . 1 1 41 41 ALA H H 41 8.198 8.198 7.933 0.265 19230 330 1 3 . 1 1 43 43 ILE N N 43 114.105 114.105 114.411 -0.306 19230 331 1 3 . 1 1 43 43 ILE HA H 43 4.250 4.250 4.309 -0.059 19230 332 1 3 . 1 1 43 43 ILE H H 43 8.879 8.879 7.923 0.957 19230 333 1 3 . 1 1 45 45 ARG N N 45 128.339 128.339 125.715 2.624 19230 334 1 3 . 1 1 45 45 ARG HA H 45 4.111 4.111 4.081 0.030 19230 335 1 3 . 1 1 45 45 ARG H H 45 7.988 7.988 7.954 0.034 19230 336 1 3 . 1 1 46 46 GLY N N 46 108.569 108.569 111.939 -3.370 19230 337 1 3 . 1 1 46 46 GLY H H 46 8.891 8.891 9.033 -0.142 19230 338 1 3 . 1 1 47 47 ASN N N 47 115.750 115.750 118.657 -2.907 19230 339 1 3 . 1 1 47 47 ASN HA H 47 4.482 4.482 4.591 -0.109 19230 340 1 3 . 1 1 47 47 ASN H H 47 7.648 7.648 7.894 -0.246 19230 341 1 3 . 1 1 48 48 GLY N N 48 107.292 107.292 107.717 -0.425 19230 342 1 3 . 1 1 48 48 GLY H H 48 8.275 8.275 8.339 -0.064 19230 343 1 3 . 1 1 49 49 TYR N N 49 116.570 116.570 118.223 -1.653 19230 344 1 3 . 1 1 49 49 TYR HA H 49 5.054 5.054 5.199 -0.145 19230 345 1 3 . 1 1 49 49 TYR H H 49 7.170 7.170 7.404 -0.234 19230 346 1 4 . 1 1 2 2 GLY N N 2 110.844 110.844 110.098 0.746 19230 347 1 4 . 1 1 2 2 GLY H H 2 8.891 8.891 8.358 0.533 19230 348 1 4 . 1 1 3 3 SER N N 3 115.464 115.464 121.257 -5.793 19230 349 1 4 . 1 1 3 3 SER HA H 3 4.235 4.235 4.625 -0.390 19230 350 1 4 . 1 1 3 3 SER H H 3 8.320 8.320 9.068 -0.748 19230 351 1 4 . 1 1 4 4 GLY N N 4 107.189 107.189 109.455 -2.266 19230 352 1 4 . 1 1 4 4 GLY H H 4 8.571 8.571 7.629 0.942 19230 353 1 4 . 1 1 5 5 ALA N N 5 122.629 122.629 122.227 0.402 19230 354 1 4 . 1 1 5 5 ALA HA H 5 3.585 3.585 4.432 -0.847 19230 355 1 4 . 1 1 5 5 ALA H H 5 9.225 9.225 8.288 0.937 19230 356 1 4 . 1 1 6 6 SER N N 6 119.024 119.024 119.617 -0.593 19230 357 1 4 . 1 1 6 6 SER HA H 6 4.127 4.127 4.195 -0.068 19230 358 1 4 . 1 1 6 6 SER H H 6 8.291 8.291 8.545 -0.254 19230 359 1 4 . 1 1 7 7 LYS N N 7 127.760 127.760 119.444 8.316 19230 360 1 4 . 1 1 7 7 LYS HA H 7 4.266 4.266 4.421 -0.155 19230 361 1 4 . 1 1 7 7 LYS H H 7 8.321 8.321 7.872 0.449 19230 362 1 4 . 1 1 8 8 ALA N N 8 125.595 125.595 123.080 2.515 19230 363 1 4 . 1 1 8 8 ALA HA H 8 4.219 4.219 4.431 -0.212 19230 364 1 4 . 1 1 8 8 ALA H H 8 8.200 8.200 7.459 0.741 19230 365 1 4 . 1 1 10 10 THR N N 10 111.647 111.647 116.009 -4.362 19230 366 1 4 . 1 1 10 10 THR HA H 10 4.080 4.080 4.486 -0.406 19230 367 1 4 . 1 1 10 10 THR H H 10 8.107 8.107 8.246 -0.139 19230 368 1 4 . 1 1 11 11 SER N N 11 115.520 115.520 115.737 -0.217 19230 369 1 4 . 1 1 11 11 SER HA H 11 4.157 4.157 4.775 -0.618 19230 370 1 4 . 1 1 11 11 SER H H 11 8.216 8.216 7.779 0.437 19230 371 1 4 . 1 1 12 12 PHE N N 12 123.128 123.128 122.745 0.383 19230 372 1 4 . 1 1 12 12 PHE HA H 12 4.018 4.018 4.283 -0.265 19230 373 1 4 . 1 1 12 12 PHE H H 12 8.877 8.877 9.006 -0.129 19230 374 1 4 . 1 1 13 13 ALA N N 13 123.710 123.710 120.292 3.418 19230 375 1 4 . 1 1 13 13 ALA HA H 13 4.157 4.157 3.818 0.339 19230 376 1 4 . 1 1 13 13 ALA H H 13 8.068 8.068 6.534 1.534 19230 377 1 4 . 1 1 14 14 GLU N N 14 122.703 122.703 118.178 4.525 19230 378 1 4 . 1 1 14 14 GLU HA H 14 4.142 4.142 4.267 -0.125 19230 379 1 4 . 1 1 14 14 GLU H H 14 7.934 7.934 7.630 0.304 19230 380 1 4 . 1 1 15 15 TYR N N 15 116.589 116.589 120.794 -4.205 19230 381 1 4 . 1 1 15 15 TYR HA H 15 4.343 4.343 4.256 0.087 19230 382 1 4 . 1 1 15 15 TYR H H 15 7.394 7.394 8.128 -0.734 19230 383 1 4 . 1 1 16 16 TRP N N 16 118.490 118.490 119.195 -0.705 19230 384 1 4 . 1 1 16 16 TRP HA H 16 4.034 4.034 4.304 -0.270 19230 385 1 4 . 1 1 16 16 TRP H H 16 7.996 7.996 8.148 -0.152 19230 386 1 4 . 1 1 17 17 ASN N N 17 110.763 110.763 115.882 -5.119 19230 387 1 4 . 1 1 17 17 ASN HA H 17 4.328 4.328 4.505 -0.177 19230 388 1 4 . 1 1 17 17 ASN H H 17 8.470 8.470 7.771 0.699 19230 389 1 4 . 1 1 18 18 LEU N N 18 111.233 111.233 121.327 -10.094 19230 390 1 4 . 1 1 18 18 LEU HA H 18 3.771 3.771 4.275 -0.504 19230 391 1 4 . 1 1 18 18 LEU H H 18 8.449 8.449 7.886 0.563 19230 392 1 4 . 1 1 19 19 LEU N N 19 113.116 113.116 121.152 -8.036 19230 393 1 4 . 1 1 19 19 LEU HA H 19 4.018 4.018 4.580 -0.562 19230 394 1 4 . 1 1 19 19 LEU H H 19 7.456 7.456 7.971 -0.515 19230 395 1 4 . 1 1 20 20 SER N N 20 111.251 111.251 115.288 -4.037 19230 396 1 4 . 1 1 20 20 SER HA H 20 3.972 3.972 3.991 -0.019 19230 397 1 4 . 1 1 20 20 SER H H 20 8.003 8.003 7.756 0.247 19230 398 1 4 . 1 1 21 21 ALA N N 21 123.375 123.375 123.993 -0.618 19230 399 1 4 . 1 1 21 21 ALA HA H 21 4.111 4.111 4.346 -0.235 19230 400 1 4 . 1 1 21 21 ALA H H 21 7.442 7.442 8.313 -0.871 19230 401 1 4 . 1 1 22 22 GLY N N 22 106.566 106.566 111.097 -4.531 19230 402 1 4 . 1 1 22 22 GLY H H 22 7.879 7.879 8.752 -0.873 19230 403 1 4 . 1 1 23 23 GLY N N 23 107.532 107.532 109.962 -2.430 19230 404 1 4 . 1 1 23 23 GLY H H 23 8.033 8.033 7.813 0.220 19230 405 1 4 . 1 1 24 24 VAL N N 24 117.804 117.804 119.935 -2.131 19230 406 1 4 . 1 1 24 24 VAL HA H 24 3.987 3.987 4.319 -0.332 19230 407 1 4 . 1 1 24 24 VAL H H 24 7.950 7.950 7.989 -0.039 19230 408 1 4 . 1 1 26 26 PRO HA H 26 4.420 4.420 4.399 0.021 19230 409 1 4 . 1 1 27 27 LYS N N 27 120.668 120.668 114.155 6.513 19230 410 1 4 . 1 1 27 27 LYS HA H 27 4.096 4.096 3.995 0.101 19230 411 1 4 . 1 1 27 27 LYS H H 27 8.125 8.125 8.126 -0.001 19230 412 1 4 . 1 1 28 28 ILE N N 28 121.619 121.619 117.028 4.591 19230 413 1 4 . 1 1 28 28 ILE HA H 28 4.204 4.204 4.085 0.119 19230 414 1 4 . 1 1 28 28 ILE H H 28 7.550 7.550 8.086 -0.536 19230 415 1 4 . 1 1 29 29 LEU N N 29 128.057 128.057 122.888 5.169 19230 416 1 4 . 1 1 29 29 LEU HA H 29 4.358 4.358 4.038 0.320 19230 417 1 4 . 1 1 29 29 LEU H H 29 8.593 8.593 8.289 0.304 19230 418 1 4 . 1 1 30 30 GLN N N 30 126.353 126.353 120.146 6.207 19230 419 1 4 . 1 1 30 30 GLN HA H 30 4.358 4.358 4.199 0.159 19230 420 1 4 . 1 1 30 30 GLN H H 30 8.817 8.817 7.880 0.937 19230 421 1 4 . 1 1 31 31 ARG N N 31 127.641 127.641 127.089 0.552 19230 422 1 4 . 1 1 31 31 ARG HA H 31 4.266 4.266 4.280 -0.014 19230 423 1 4 . 1 1 31 31 ARG H H 31 8.659 8.659 8.685 -0.026 19230 424 1 4 . 1 1 33 33 ARG N N 33 117.135 117.135 118.736 -1.601 19230 425 1 4 . 1 1 33 33 ARG HA H 33 4.575 4.575 4.452 0.123 19230 426 1 4 . 1 1 33 33 ARG H H 33 7.952 7.952 8.422 -0.470 19230 427 1 4 . 1 1 34 34 ARG N N 34 117.368 117.368 119.827 -2.459 19230 428 1 4 . 1 1 34 34 ARG HA H 34 4.266 4.266 4.477 -0.211 19230 429 1 4 . 1 1 34 34 ARG H H 34 9.221 9.221 7.696 1.525 19230 430 1 4 . 1 1 35 35 ASP N N 35 124.250 124.250 115.192 9.058 19230 431 1 4 . 1 1 35 35 ASP HA H 35 4.559 4.559 4.842 -0.283 19230 432 1 4 . 1 1 35 35 ASP H H 35 9.062 9.062 8.576 0.486 19230 433 1 4 . 1 1 36 36 SER N N 36 111.255 111.255 114.514 -3.259 19230 434 1 4 . 1 1 36 36 SER HA H 36 3.957 3.957 4.332 -0.375 19230 435 1 4 . 1 1 36 36 SER H H 36 8.009 8.009 8.042 -0.033 19230 436 1 4 . 1 1 37 37 ASP N N 37 120.379 120.379 120.676 -0.297 19230 437 1 4 . 1 1 37 37 ASP HA H 37 4.374 4.374 4.616 -0.242 19230 438 1 4 . 1 1 37 37 ASP H H 37 7.592 7.592 8.390 -0.798 19230 439 1 4 . 1 1 39 39 PRO HA H 39 4.670 4.670 4.452 0.218 19230 440 1 4 . 1 1 40 40 GLY N N 40 107.269 107.269 113.071 -5.802 19230 441 1 4 . 1 1 40 40 GLY H H 40 8.425 8.425 8.803 -0.378 19230 442 1 4 . 1 1 41 41 ALA N N 41 125.640 125.640 123.081 2.559 19230 443 1 4 . 1 1 41 41 ALA HA H 41 4.219 4.219 4.338 -0.119 19230 444 1 4 . 1 1 41 41 ALA H H 41 8.198 8.198 7.800 0.398 19230 445 1 4 . 1 1 43 43 ILE N N 43 114.105 114.105 120.542 -6.437 19230 446 1 4 . 1 1 43 43 ILE HA H 43 4.250 4.250 4.377 -0.127 19230 447 1 4 . 1 1 43 43 ILE H H 43 8.879 8.879 7.929 0.950 19230 448 1 4 . 1 1 45 45 ARG N N 45 128.339 128.339 126.735 1.604 19230 449 1 4 . 1 1 45 45 ARG HA H 45 4.111 4.111 4.077 0.034 19230 450 1 4 . 1 1 45 45 ARG H H 45 7.988 7.988 7.944 0.044 19230 451 1 4 . 1 1 46 46 GLY N N 46 108.569 108.569 113.299 -4.730 19230 452 1 4 . 1 1 46 46 GLY H H 46 8.891 8.891 8.849 0.042 19230 453 1 4 . 1 1 47 47 ASN N N 47 115.750 115.750 118.993 -3.243 19230 454 1 4 . 1 1 47 47 ASN HA H 47 4.482 4.482 4.576 -0.094 19230 455 1 4 . 1 1 47 47 ASN H H 47 7.648 7.648 8.174 -0.526 19230 456 1 4 . 1 1 48 48 GLY N N 48 107.292 107.292 104.585 2.707 19230 457 1 4 . 1 1 48 48 GLY H H 48 8.275 8.275 8.000 0.275 19230 458 1 4 . 1 1 49 49 TYR N N 49 116.570 116.570 117.249 -0.679 19230 459 1 4 . 1 1 49 49 TYR HA H 49 5.054 5.054 4.922 0.132 19230 460 1 4 . 1 1 49 49 TYR H H 49 7.170 7.170 8.001 -0.831 19230 461 1 5 . 1 1 2 2 GLY N N 2 110.844 110.844 114.010 -3.166 19230 462 1 5 . 1 1 2 2 GLY H H 2 8.891 8.891 8.718 0.173 19230 463 1 5 . 1 1 3 3 SER N N 3 115.464 115.464 116.816 -1.352 19230 464 1 5 . 1 1 3 3 SER HA H 3 4.235 4.235 4.503 -0.268 19230 465 1 5 . 1 1 3 3 SER H H 3 8.320 8.320 8.169 0.151 19230 466 1 5 . 1 1 4 4 GLY N N 4 107.189 107.189 109.098 -1.909 19230 467 1 5 . 1 1 4 4 GLY H H 4 8.571 8.571 7.785 0.786 19230 468 1 5 . 1 1 5 5 ALA N N 5 122.629 122.629 122.522 0.107 19230 469 1 5 . 1 1 5 5 ALA HA H 5 3.585 3.585 4.557 -0.972 19230 470 1 5 . 1 1 5 5 ALA H H 5 9.225 9.225 8.399 0.826 19230 471 1 5 . 1 1 6 6 SER N N 6 119.024 119.024 119.367 -0.343 19230 472 1 5 . 1 1 6 6 SER HA H 6 4.127 4.127 4.216 -0.089 19230 473 1 5 . 1 1 6 6 SER H H 6 8.291 8.291 8.484 -0.193 19230 474 1 5 . 1 1 7 7 LYS N N 7 127.760 127.760 119.894 7.866 19230 475 1 5 . 1 1 7 7 LYS HA H 7 4.266 4.266 4.331 -0.065 19230 476 1 5 . 1 1 7 7 LYS H H 7 8.321 8.321 7.937 0.384 19230 477 1 5 . 1 1 8 8 ALA N N 8 125.595 125.595 122.227 3.368 19230 478 1 5 . 1 1 8 8 ALA HA H 8 4.219 4.219 4.449 -0.230 19230 479 1 5 . 1 1 8 8 ALA H H 8 8.200 8.200 7.417 0.783 19230 480 1 5 . 1 1 10 10 THR N N 10 111.647 111.647 117.469 -5.822 19230 481 1 5 . 1 1 10 10 THR HA H 10 4.080 4.080 4.561 -0.481 19230 482 1 5 . 1 1 10 10 THR H H 10 8.107 8.107 8.585 -0.478 19230 483 1 5 . 1 1 11 11 SER N N 11 115.520 115.520 117.027 -1.507 19230 484 1 5 . 1 1 11 11 SER HA H 11 4.157 4.157 4.905 -0.748 19230 485 1 5 . 1 1 11 11 SER H H 11 8.216 8.216 7.453 0.763 19230 486 1 5 . 1 1 12 12 PHE N N 12 123.128 123.128 124.555 -1.427 19230 487 1 5 . 1 1 12 12 PHE HA H 12 4.018 4.018 4.220 -0.202 19230 488 1 5 . 1 1 12 12 PHE H H 12 8.877 8.877 8.908 -0.031 19230 489 1 5 . 1 1 13 13 ALA N N 13 123.710 123.710 118.849 4.861 19230 490 1 5 . 1 1 13 13 ALA HA H 13 4.157 4.157 4.551 -0.394 19230 491 1 5 . 1 1 13 13 ALA H H 13 8.068 8.068 8.716 -0.648 19230 492 1 5 . 1 1 14 14 GLU N N 14 122.703 122.703 117.972 4.731 19230 493 1 5 . 1 1 14 14 GLU HA H 14 4.142 4.142 4.210 -0.068 19230 494 1 5 . 1 1 14 14 GLU H H 14 7.934 7.934 8.036 -0.102 19230 495 1 5 . 1 1 15 15 TYR N N 15 116.589 116.589 118.968 -2.379 19230 496 1 5 . 1 1 15 15 TYR HA H 15 4.343 4.343 4.395 -0.052 19230 497 1 5 . 1 1 15 15 TYR H H 15 7.394 7.394 8.233 -0.839 19230 498 1 5 . 1 1 16 16 TRP N N 16 118.490 118.490 121.547 -3.057 19230 499 1 5 . 1 1 16 16 TRP HA H 16 4.034 4.034 4.610 -0.576 19230 500 1 5 . 1 1 16 16 TRP H H 16 7.996 7.996 7.268 0.728 19230 501 1 5 . 1 1 17 17 ASN N N 17 110.763 110.763 119.472 -8.709 19230 502 1 5 . 1 1 17 17 ASN HA H 17 4.328 4.328 3.985 0.343 19230 503 1 5 . 1 1 17 17 ASN H H 17 8.470 8.470 7.657 0.813 19230 504 1 5 . 1 1 18 18 LEU N N 18 111.233 111.233 117.095 -5.862 19230 505 1 5 . 1 1 18 18 LEU HA H 18 3.771 3.771 4.340 -0.569 19230 506 1 5 . 1 1 18 18 LEU H H 18 8.449 8.449 7.853 0.596 19230 507 1 5 . 1 1 19 19 LEU N N 19 113.116 113.116 119.839 -6.723 19230 508 1 5 . 1 1 19 19 LEU HA H 19 4.018 4.018 4.556 -0.538 19230 509 1 5 . 1 1 19 19 LEU H H 19 7.456 7.456 8.045 -0.589 19230 510 1 5 . 1 1 20 20 SER N N 20 111.251 111.251 113.763 -2.512 19230 511 1 5 . 1 1 20 20 SER HA H 20 3.972 3.972 3.967 0.005 19230 512 1 5 . 1 1 20 20 SER H H 20 8.003 8.003 7.543 0.460 19230 513 1 5 . 1 1 21 21 ALA N N 21 123.375 123.375 123.267 0.108 19230 514 1 5 . 1 1 21 21 ALA HA H 21 4.111 4.111 4.288 -0.177 19230 515 1 5 . 1 1 21 21 ALA H H 21 7.442 7.442 7.463 -0.022 19230 516 1 5 . 1 1 22 22 GLY N N 22 106.566 106.566 111.990 -5.424 19230 517 1 5 . 1 1 22 22 GLY H H 22 7.879 7.879 8.366 -0.487 19230 518 1 5 . 1 1 23 23 GLY N N 23 107.532 107.532 109.248 -1.716 19230 519 1 5 . 1 1 23 23 GLY H H 23 8.033 8.033 7.916 0.117 19230 520 1 5 . 1 1 24 24 VAL N N 24 117.804 117.804 118.534 -0.730 19230 521 1 5 . 1 1 24 24 VAL HA H 24 3.987 3.987 4.286 -0.299 19230 522 1 5 . 1 1 24 24 VAL H H 24 7.950 7.950 7.895 0.055 19230 523 1 5 . 1 1 26 26 PRO HA H 26 4.420 4.420 4.286 0.134 19230 524 1 5 . 1 1 27 27 LYS N N 27 120.668 120.668 114.497 6.171 19230 525 1 5 . 1 1 27 27 LYS HA H 27 4.096 4.096 4.118 -0.022 19230 526 1 5 . 1 1 27 27 LYS H H 27 8.125 8.125 8.349 -0.224 19230 527 1 5 . 1 1 28 28 ILE N N 28 121.619 121.619 118.030 3.589 19230 528 1 5 . 1 1 28 28 ILE HA H 28 4.204 4.204 4.232 -0.028 19230 529 1 5 . 1 1 28 28 ILE H H 28 7.550 7.550 8.240 -0.690 19230 530 1 5 . 1 1 29 29 LEU N N 29 128.057 128.057 121.287 6.770 19230 531 1 5 . 1 1 29 29 LEU HA H 29 4.358 4.358 4.372 -0.014 19230 532 1 5 . 1 1 29 29 LEU H H 29 8.593 8.593 8.146 0.447 19230 533 1 5 . 1 1 30 30 GLN N N 30 126.353 126.353 121.069 5.284 19230 534 1 5 . 1 1 30 30 GLN HA H 30 4.358 4.358 4.129 0.229 19230 535 1 5 . 1 1 30 30 GLN H H 30 8.817 8.817 8.040 0.777 19230 536 1 5 . 1 1 31 31 ARG N N 31 127.641 127.641 126.643 0.998 19230 537 1 5 . 1 1 31 31 ARG HA H 31 4.266 4.266 4.400 -0.134 19230 538 1 5 . 1 1 31 31 ARG H H 31 8.659 8.659 8.513 0.146 19230 539 1 5 . 1 1 33 33 ARG N N 33 117.135 117.135 120.704 -3.569 19230 540 1 5 . 1 1 33 33 ARG HA H 33 4.575 4.575 4.266 0.309 19230 541 1 5 . 1 1 33 33 ARG H H 33 7.952 7.952 8.665 -0.713 19230 542 1 5 . 1 1 34 34 ARG N N 34 117.368 117.368 116.901 0.467 19230 543 1 5 . 1 1 34 34 ARG HA H 34 4.266 4.266 4.485 -0.219 19230 544 1 5 . 1 1 34 34 ARG H H 34 9.221 9.221 8.074 1.147 19230 545 1 5 . 1 1 35 35 ASP N N 35 124.250 124.250 118.720 5.530 19230 546 1 5 . 1 1 35 35 ASP HA H 35 4.559 4.559 4.738 -0.179 19230 547 1 5 . 1 1 35 35 ASP H H 35 9.062 9.062 8.594 0.468 19230 548 1 5 . 1 1 36 36 SER N N 36 111.255 111.255 114.005 -2.750 19230 549 1 5 . 1 1 36 36 SER HA H 36 3.957 3.957 4.249 -0.292 19230 550 1 5 . 1 1 36 36 SER H H 36 8.009 8.009 7.797 0.212 19230 551 1 5 . 1 1 37 37 ASP N N 37 120.379 120.379 120.689 -0.310 19230 552 1 5 . 1 1 37 37 ASP HA H 37 4.374 4.374 4.617 -0.243 19230 553 1 5 . 1 1 37 37 ASP H H 37 7.592 7.592 8.230 -0.638 19230 554 1 5 . 1 1 39 39 PRO HA H 39 4.670 4.670 4.477 0.193 19230 555 1 5 . 1 1 40 40 GLY N N 40 107.269 107.269 113.387 -6.118 19230 556 1 5 . 1 1 40 40 GLY H H 40 8.425 8.425 8.832 -0.407 19230 557 1 5 . 1 1 41 41 ALA N N 41 125.640 125.640 123.480 2.160 19230 558 1 5 . 1 1 41 41 ALA HA H 41 4.219 4.219 4.392 -0.173 19230 559 1 5 . 1 1 41 41 ALA H H 41 8.198 8.198 7.703 0.495 19230 560 1 5 . 1 1 43 43 ILE N N 43 114.105 114.105 117.584 -3.479 19230 561 1 5 . 1 1 43 43 ILE HA H 43 4.250 4.250 4.345 -0.095 19230 562 1 5 . 1 1 43 43 ILE H H 43 8.879 8.879 7.706 1.173 19230 563 1 5 . 1 1 45 45 ARG N N 45 128.339 128.339 126.214 2.125 19230 564 1 5 . 1 1 45 45 ARG HA H 45 4.111 4.111 4.115 -0.004 19230 565 1 5 . 1 1 45 45 ARG H H 45 7.988 7.988 7.704 0.284 19230 566 1 5 . 1 1 46 46 GLY N N 46 108.569 108.569 112.670 -4.101 19230 567 1 5 . 1 1 46 46 GLY H H 46 8.891 8.891 8.890 0.001 19230 568 1 5 . 1 1 47 47 ASN N N 47 115.750 115.750 118.606 -2.856 19230 569 1 5 . 1 1 47 47 ASN HA H 47 4.482 4.482 4.720 -0.238 19230 570 1 5 . 1 1 47 47 ASN H H 47 7.648 7.648 8.087 -0.439 19230 571 1 5 . 1 1 48 48 GLY N N 48 107.292 107.292 105.492 1.800 19230 572 1 5 . 1 1 48 48 GLY H H 48 8.275 8.275 8.212 0.063 19230 573 1 5 . 1 1 49 49 TYR N N 49 116.570 116.570 118.769 -2.199 19230 574 1 5 . 1 1 49 49 TYR HA H 49 5.054 5.054 4.981 0.073 19230 575 1 5 . 1 1 49 49 TYR H H 49 7.170 7.170 8.059 -0.889 19230 576 1 6 . 1 1 2 2 GLY N N 2 110.844 110.844 109.933 0.911 19230 577 1 6 . 1 1 2 2 GLY H H 2 8.891 8.891 8.638 0.253 19230 578 1 6 . 1 1 3 3 SER N N 3 115.464 115.464 120.051 -4.587 19230 579 1 6 . 1 1 3 3 SER HA H 3 4.235 4.235 5.016 -0.781 19230 580 1 6 . 1 1 3 3 SER H H 3 8.320 8.320 7.615 0.705 19230 581 1 6 . 1 1 4 4 GLY N N 4 107.189 107.189 110.889 -3.700 19230 582 1 6 . 1 1 4 4 GLY H H 4 8.571 8.571 8.030 0.541 19230 583 1 6 . 1 1 5 5 ALA N N 5 122.629 122.629 122.711 -0.082 19230 584 1 6 . 1 1 5 5 ALA HA H 5 3.585 3.585 4.784 -1.199 19230 585 1 6 . 1 1 5 5 ALA H H 5 9.225 9.225 8.111 1.114 19230 586 1 6 . 1 1 6 6 SER N N 6 119.024 119.024 118.090 0.934 19230 587 1 6 . 1 1 6 6 SER HA H 6 4.127 4.127 4.057 0.070 19230 588 1 6 . 1 1 6 6 SER H H 6 8.291 8.291 8.842 -0.551 19230 589 1 6 . 1 1 7 7 LYS N N 7 127.760 127.760 120.507 7.253 19230 590 1 6 . 1 1 7 7 LYS HA H 7 4.266 4.266 4.223 0.043 19230 591 1 6 . 1 1 7 7 LYS H H 7 8.321 8.321 7.441 0.880 19230 592 1 6 . 1 1 8 8 ALA N N 8 125.595 125.595 121.506 4.089 19230 593 1 6 . 1 1 8 8 ALA HA H 8 4.219 4.219 4.534 -0.315 19230 594 1 6 . 1 1 8 8 ALA H H 8 8.200 8.200 7.504 0.696 19230 595 1 6 . 1 1 10 10 THR N N 10 111.647 111.647 117.127 -5.480 19230 596 1 6 . 1 1 10 10 THR HA H 10 4.080 4.080 4.603 -0.523 19230 597 1 6 . 1 1 10 10 THR H H 10 8.107 8.107 8.334 -0.227 19230 598 1 6 . 1 1 11 11 SER N N 11 115.520 115.520 116.039 -0.519 19230 599 1 6 . 1 1 11 11 SER HA H 11 4.157 4.157 4.831 -0.674 19230 600 1 6 . 1 1 11 11 SER H H 11 8.216 8.216 8.203 0.013 19230 601 1 6 . 1 1 12 12 PHE N N 12 123.128 123.128 119.814 3.314 19230 602 1 6 . 1 1 12 12 PHE HA H 12 4.018 4.018 4.599 -0.581 19230 603 1 6 . 1 1 12 12 PHE H H 12 8.877 8.877 8.243 0.634 19230 604 1 6 . 1 1 13 13 ALA N N 13 123.710 123.710 122.111 1.599 19230 605 1 6 . 1 1 13 13 ALA HA H 13 4.157 4.157 4.100 0.057 19230 606 1 6 . 1 1 13 13 ALA H H 13 8.068 8.068 7.855 0.213 19230 607 1 6 . 1 1 14 14 GLU N N 14 122.703 122.703 118.842 3.861 19230 608 1 6 . 1 1 14 14 GLU HA H 14 4.142 4.142 4.042 0.100 19230 609 1 6 . 1 1 14 14 GLU H H 14 7.934 7.934 8.628 -0.694 19230 610 1 6 . 1 1 15 15 TYR N N 15 116.589 116.589 120.421 -3.832 19230 611 1 6 . 1 1 15 15 TYR HA H 15 4.343 4.343 4.295 0.048 19230 612 1 6 . 1 1 15 15 TYR H H 15 7.394 7.394 7.948 -0.554 19230 613 1 6 . 1 1 16 16 TRP N N 16 118.490 118.490 119.393 -0.903 19230 614 1 6 . 1 1 16 16 TRP HA H 16 4.034 4.034 4.498 -0.464 19230 615 1 6 . 1 1 16 16 TRP H H 16 7.996 7.996 8.138 -0.142 19230 616 1 6 . 1 1 17 17 ASN N N 17 110.763 110.763 115.928 -5.165 19230 617 1 6 . 1 1 17 17 ASN HA H 17 4.328 4.328 5.005 -0.677 19230 618 1 6 . 1 1 17 17 ASN H H 17 8.470 8.470 8.345 0.125 19230 619 1 6 . 1 1 18 18 LEU N N 18 111.233 111.233 121.277 -10.044 19230 620 1 6 . 1 1 18 18 LEU HA H 18 3.771 3.771 4.426 -0.655 19230 621 1 6 . 1 1 18 18 LEU H H 18 8.449 8.449 8.396 0.053 19230 622 1 6 . 1 1 19 19 LEU N N 19 113.116 113.116 120.372 -7.256 19230 623 1 6 . 1 1 19 19 LEU HA H 19 4.018 4.018 4.098 -0.080 19230 624 1 6 . 1 1 19 19 LEU H H 19 7.456 7.456 7.911 -0.455 19230 625 1 6 . 1 1 20 20 SER N N 20 111.251 111.251 109.881 1.370 19230 626 1 6 . 1 1 20 20 SER HA H 20 3.972 3.972 4.108 -0.136 19230 627 1 6 . 1 1 20 20 SER H H 20 8.003 8.003 7.952 0.051 19230 628 1 6 . 1 1 21 21 ALA N N 21 123.375 123.375 122.817 0.558 19230 629 1 6 . 1 1 21 21 ALA HA H 21 4.111 4.111 4.172 -0.061 19230 630 1 6 . 1 1 21 21 ALA H H 21 7.442 7.442 8.674 -1.232 19230 631 1 6 . 1 1 22 22 GLY N N 22 106.566 106.566 107.336 -0.770 19230 632 1 6 . 1 1 22 22 GLY H H 22 7.879 7.879 8.157 -0.278 19230 633 1 6 . 1 1 23 23 GLY N N 23 107.532 107.532 108.937 -1.405 19230 634 1 6 . 1 1 23 23 GLY H H 23 8.033 8.033 7.592 0.441 19230 635 1 6 . 1 1 24 24 VAL N N 24 117.804 117.804 121.538 -3.734 19230 636 1 6 . 1 1 24 24 VAL HA H 24 3.987 3.987 4.160 -0.173 19230 637 1 6 . 1 1 24 24 VAL H H 24 7.950 7.950 8.076 -0.126 19230 638 1 6 . 1 1 26 26 PRO HA H 26 4.420 4.420 4.334 0.086 19230 639 1 6 . 1 1 27 27 LYS N N 27 120.668 120.668 115.962 4.706 19230 640 1 6 . 1 1 27 27 LYS HA H 27 4.096 4.096 3.919 0.177 19230 641 1 6 . 1 1 27 27 LYS H H 27 8.125 8.125 7.679 0.446 19230 642 1 6 . 1 1 28 28 ILE N N 28 121.619 121.619 116.690 4.929 19230 643 1 6 . 1 1 28 28 ILE HA H 28 4.204 4.204 4.317 -0.113 19230 644 1 6 . 1 1 28 28 ILE H H 28 7.550 7.550 7.951 -0.401 19230 645 1 6 . 1 1 29 29 LEU N N 29 128.057 128.057 119.805 8.252 19230 646 1 6 . 1 1 29 29 LEU HA H 29 4.358 4.358 4.262 0.096 19230 647 1 6 . 1 1 29 29 LEU H H 29 8.593 8.593 8.126 0.467 19230 648 1 6 . 1 1 30 30 GLN N N 30 126.353 126.353 120.048 6.305 19230 649 1 6 . 1 1 30 30 GLN HA H 30 4.358 4.358 4.129 0.229 19230 650 1 6 . 1 1 30 30 GLN H H 30 8.817 8.817 8.287 0.530 19230 651 1 6 . 1 1 31 31 ARG N N 31 127.641 127.641 121.596 6.045 19230 652 1 6 . 1 1 31 31 ARG HA H 31 4.266 4.266 3.739 0.527 19230 653 1 6 . 1 1 31 31 ARG H H 31 8.659 8.659 8.342 0.317 19230 654 1 6 . 1 1 33 33 ARG N N 33 117.135 117.135 119.574 -2.439 19230 655 1 6 . 1 1 33 33 ARG HA H 33 4.575 4.575 4.364 0.211 19230 656 1 6 . 1 1 33 33 ARG H H 33 7.952 7.952 8.747 -0.795 19230 657 1 6 . 1 1 34 34 ARG N N 34 117.368 117.368 116.632 0.736 19230 658 1 6 . 1 1 34 34 ARG HA H 34 4.266 4.266 4.444 -0.178 19230 659 1 6 . 1 1 34 34 ARG H H 34 9.221 9.221 7.902 1.319 19230 660 1 6 . 1 1 35 35 ASP N N 35 124.250 124.250 117.291 6.959 19230 661 1 6 . 1 1 35 35 ASP HA H 35 4.559 4.559 4.934 -0.375 19230 662 1 6 . 1 1 35 35 ASP H H 35 9.062 9.062 8.529 0.533 19230 663 1 6 . 1 1 36 36 SER N N 36 111.255 111.255 117.724 -6.469 19230 664 1 6 . 1 1 36 36 SER HA H 36 3.957 3.957 4.164 -0.207 19230 665 1 6 . 1 1 36 36 SER H H 36 8.009 8.009 8.323 -0.314 19230 666 1 6 . 1 1 37 37 ASP N N 37 120.379 120.379 121.835 -1.456 19230 667 1 6 . 1 1 37 37 ASP HA H 37 4.374 4.374 4.472 -0.098 19230 668 1 6 . 1 1 37 37 ASP H H 37 7.592 7.592 8.582 -0.990 19230 669 1 6 . 1 1 39 39 PRO HA H 39 4.670 4.670 4.476 0.194 19230 670 1 6 . 1 1 40 40 GLY N N 40 107.269 107.269 113.430 -6.161 19230 671 1 6 . 1 1 40 40 GLY H H 40 8.425 8.425 8.957 -0.532 19230 672 1 6 . 1 1 41 41 ALA N N 41 125.640 125.640 118.903 6.737 19230 673 1 6 . 1 1 41 41 ALA HA H 41 4.219 4.219 4.368 -0.149 19230 674 1 6 . 1 1 41 41 ALA H H 41 8.198 8.198 7.666 0.532 19230 675 1 6 . 1 1 43 43 ILE N N 43 114.105 114.105 120.278 -6.173 19230 676 1 6 . 1 1 43 43 ILE HA H 43 4.250 4.250 4.406 -0.156 19230 677 1 6 . 1 1 43 43 ILE H H 43 8.879 8.879 7.977 0.902 19230 678 1 6 . 1 1 45 45 ARG N N 45 128.339 128.339 126.599 1.740 19230 679 1 6 . 1 1 45 45 ARG HA H 45 4.111 4.111 4.380 -0.269 19230 680 1 6 . 1 1 45 45 ARG H H 45 7.988 7.988 8.224 -0.236 19230 681 1 6 . 1 1 46 46 GLY N N 46 108.569 108.569 115.607 -7.038 19230 682 1 6 . 1 1 46 46 GLY H H 46 8.891 8.891 8.974 -0.083 19230 683 1 6 . 1 1 47 47 ASN N N 47 115.750 115.750 120.943 -5.193 19230 684 1 6 . 1 1 47 47 ASN HA H 47 4.482 4.482 4.453 0.029 19230 685 1 6 . 1 1 47 47 ASN H H 47 7.648 7.648 8.442 -0.794 19230 686 1 6 . 1 1 48 48 GLY N N 48 107.292 107.292 103.653 3.639 19230 687 1 6 . 1 1 48 48 GLY H H 48 8.275 8.275 8.106 0.169 19230 688 1 6 . 1 1 49 49 TYR N N 49 116.570 116.570 118.400 -1.830 19230 689 1 6 . 1 1 49 49 TYR HA H 49 5.054 5.054 5.082 -0.028 19230 690 1 6 . 1 1 49 49 TYR H H 49 7.170 7.170 7.941 -0.771 19230 691 1 7 . 1 1 2 2 GLY N N 2 110.844 110.844 111.888 -1.044 19230 692 1 7 . 1 1 2 2 GLY H H 2 8.891 8.891 8.467 0.424 19230 693 1 7 . 1 1 3 3 SER N N 3 115.464 115.464 118.599 -3.135 19230 694 1 7 . 1 1 3 3 SER HA H 3 4.235 4.235 4.542 -0.307 19230 695 1 7 . 1 1 3 3 SER H H 3 8.320 8.320 8.976 -0.656 19230 696 1 7 . 1 1 4 4 GLY N N 4 107.189 107.189 109.497 -2.308 19230 697 1 7 . 1 1 4 4 GLY H H 4 8.571 8.571 7.816 0.755 19230 698 1 7 . 1 1 5 5 ALA N N 5 122.629 122.629 121.601 1.028 19230 699 1 7 . 1 1 5 5 ALA HA H 5 3.585 3.585 4.476 -0.891 19230 700 1 7 . 1 1 5 5 ALA H H 5 9.225 9.225 8.149 1.076 19230 701 1 7 . 1 1 6 6 SER N N 6 119.024 119.024 117.586 1.438 19230 702 1 7 . 1 1 6 6 SER HA H 6 4.127 4.127 4.363 -0.236 19230 703 1 7 . 1 1 6 6 SER H H 6 8.291 8.291 8.583 -0.292 19230 704 1 7 . 1 1 7 7 LYS N N 7 127.760 127.760 120.266 7.494 19230 705 1 7 . 1 1 7 7 LYS HA H 7 4.266 4.266 4.414 -0.148 19230 706 1 7 . 1 1 7 7 LYS H H 7 8.321 8.321 7.381 0.940 19230 707 1 7 . 1 1 8 8 ALA N N 8 125.595 125.595 123.228 2.367 19230 708 1 7 . 1 1 8 8 ALA HA H 8 4.219 4.219 4.492 -0.273 19230 709 1 7 . 1 1 8 8 ALA H H 8 8.200 8.200 7.485 0.715 19230 710 1 7 . 1 1 10 10 THR N N 10 111.647 111.647 116.142 -4.495 19230 711 1 7 . 1 1 10 10 THR HA H 10 4.080 4.080 4.387 -0.307 19230 712 1 7 . 1 1 10 10 THR H H 10 8.107 8.107 8.646 -0.539 19230 713 1 7 . 1 1 11 11 SER N N 11 115.520 115.520 116.547 -1.027 19230 714 1 7 . 1 1 11 11 SER HA H 11 4.157 4.157 4.868 -0.711 19230 715 1 7 . 1 1 11 11 SER H H 11 8.216 8.216 7.372 0.845 19230 716 1 7 . 1 1 12 12 PHE N N 12 123.128 123.128 124.432 -1.304 19230 717 1 7 . 1 1 12 12 PHE HA H 12 4.018 4.018 4.205 -0.187 19230 718 1 7 . 1 1 12 12 PHE H H 12 8.877 8.877 8.873 0.004 19230 719 1 7 . 1 1 13 13 ALA N N 13 123.710 123.710 117.606 6.104 19230 720 1 7 . 1 1 13 13 ALA HA H 13 4.157 4.157 4.622 -0.465 19230 721 1 7 . 1 1 13 13 ALA H H 13 8.068 8.068 8.582 -0.514 19230 722 1 7 . 1 1 14 14 GLU N N 14 122.703 122.703 119.474 3.229 19230 723 1 7 . 1 1 14 14 GLU HA H 14 4.142 4.142 4.346 -0.204 19230 724 1 7 . 1 1 14 14 GLU H H 14 7.934 7.934 7.917 0.017 19230 725 1 7 . 1 1 15 15 TYR N N 15 116.589 116.589 122.338 -5.749 19230 726 1 7 . 1 1 15 15 TYR HA H 15 4.343 4.343 4.157 0.186 19230 727 1 7 . 1 1 15 15 TYR H H 15 7.394 7.394 8.193 -0.799 19230 728 1 7 . 1 1 16 16 TRP N N 16 118.490 118.490 119.418 -0.928 19230 729 1 7 . 1 1 16 16 TRP HA H 16 4.034 4.034 4.039 -0.005 19230 730 1 7 . 1 1 16 16 TRP H H 16 7.996 7.996 8.735 -0.739 19230 731 1 7 . 1 1 17 17 ASN N N 17 110.763 110.763 115.742 -4.979 19230 732 1 7 . 1 1 17 17 ASN HA H 17 4.328 4.328 4.262 0.066 19230 733 1 7 . 1 1 17 17 ASN H H 17 8.470 8.470 7.720 0.750 19230 734 1 7 . 1 1 18 18 LEU N N 18 111.233 111.233 118.545 -7.312 19230 735 1 7 . 1 1 18 18 LEU HA H 18 3.771 3.771 4.303 -0.532 19230 736 1 7 . 1 1 18 18 LEU H H 18 8.449 8.449 7.437 1.012 19230 737 1 7 . 1 1 19 19 LEU N N 19 113.116 113.116 121.338 -8.222 19230 738 1 7 . 1 1 19 19 LEU HA H 19 4.018 4.018 4.664 -0.646 19230 739 1 7 . 1 1 19 19 LEU H H 19 7.456 7.456 7.744 -0.288 19230 740 1 7 . 1 1 20 20 SER N N 20 111.251 111.251 113.093 -1.842 19230 741 1 7 . 1 1 20 20 SER HA H 20 3.972 3.972 4.109 -0.137 19230 742 1 7 . 1 1 20 20 SER H H 20 8.003 8.003 7.478 0.525 19230 743 1 7 . 1 1 21 21 ALA N N 21 123.375 123.375 123.454 -0.079 19230 744 1 7 . 1 1 21 21 ALA HA H 21 4.111 4.111 4.517 -0.406 19230 745 1 7 . 1 1 21 21 ALA H H 21 7.442 7.442 7.140 0.302 19230 746 1 7 . 1 1 22 22 GLY N N 22 106.566 106.566 110.040 -3.474 19230 747 1 7 . 1 1 22 22 GLY H H 22 7.879 7.879 8.851 -0.972 19230 748 1 7 . 1 1 23 23 GLY N N 23 107.532 107.532 110.234 -2.702 19230 749 1 7 . 1 1 23 23 GLY H H 23 8.033 8.033 7.689 0.344 19230 750 1 7 . 1 1 24 24 VAL N N 24 117.804 117.804 121.746 -3.942 19230 751 1 7 . 1 1 24 24 VAL HA H 24 3.987 3.987 4.199 -0.212 19230 752 1 7 . 1 1 24 24 VAL H H 24 7.950 7.950 8.033 -0.083 19230 753 1 7 . 1 1 26 26 PRO HA H 26 4.420 4.420 4.199 0.221 19230 754 1 7 . 1 1 27 27 LYS N N 27 120.668 120.668 113.638 7.030 19230 755 1 7 . 1 1 27 27 LYS HA H 27 4.096 4.096 4.160 -0.064 19230 756 1 7 . 1 1 27 27 LYS H H 27 8.125 8.125 8.413 -0.288 19230 757 1 7 . 1 1 28 28 ILE N N 28 121.619 121.619 117.265 4.354 19230 758 1 7 . 1 1 28 28 ILE HA H 28 4.204 4.204 4.064 0.140 19230 759 1 7 . 1 1 28 28 ILE H H 28 7.550 7.550 8.066 -0.516 19230 760 1 7 . 1 1 29 29 LEU N N 29 128.057 128.057 122.507 5.550 19230 761 1 7 . 1 1 29 29 LEU HA H 29 4.358 4.358 4.738 -0.380 19230 762 1 7 . 1 1 29 29 LEU H H 29 8.593 8.593 8.590 0.003 19230 763 1 7 . 1 1 30 30 GLN N N 30 126.353 126.353 119.826 6.527 19230 764 1 7 . 1 1 30 30 GLN HA H 30 4.358 4.358 4.424 -0.066 19230 765 1 7 . 1 1 30 30 GLN H H 30 8.817 8.817 7.711 1.106 19230 766 1 7 . 1 1 31 31 ARG N N 31 127.641 127.641 125.682 1.959 19230 767 1 7 . 1 1 31 31 ARG HA H 31 4.266 4.266 3.991 0.275 19230 768 1 7 . 1 1 31 31 ARG H H 31 8.659 8.659 8.482 0.177 19230 769 1 7 . 1 1 33 33 ARG N N 33 117.135 117.135 120.788 -3.653 19230 770 1 7 . 1 1 33 33 ARG HA H 33 4.575 4.575 4.456 0.119 19230 771 1 7 . 1 1 33 33 ARG H H 33 7.952 7.952 8.400 -0.448 19230 772 1 7 . 1 1 34 34 ARG N N 34 117.368 117.368 116.758 0.610 19230 773 1 7 . 1 1 34 34 ARG HA H 34 4.266 4.266 4.600 -0.334 19230 774 1 7 . 1 1 34 34 ARG H H 34 9.221 9.221 8.044 1.177 19230 775 1 7 . 1 1 35 35 ASP N N 35 124.250 124.250 116.469 7.781 19230 776 1 7 . 1 1 35 35 ASP HA H 35 4.559 4.559 4.717 -0.158 19230 777 1 7 . 1 1 35 35 ASP H H 35 9.062 9.062 8.516 0.546 19230 778 1 7 . 1 1 36 36 SER N N 36 111.255 111.255 115.276 -4.021 19230 779 1 7 . 1 1 36 36 SER HA H 36 3.957 3.957 4.309 -0.352 19230 780 1 7 . 1 1 36 36 SER H H 36 8.009 8.009 8.117 -0.108 19230 781 1 7 . 1 1 37 37 ASP N N 37 120.379 120.379 118.790 1.589 19230 782 1 7 . 1 1 37 37 ASP HA H 37 4.374 4.374 4.692 -0.318 19230 783 1 7 . 1 1 37 37 ASP H H 37 7.592 7.592 7.957 -0.365 19230 784 1 7 . 1 1 39 39 PRO HA H 39 4.670 4.670 4.426 0.244 19230 785 1 7 . 1 1 40 40 GLY N N 40 107.269 107.269 113.625 -6.356 19230 786 1 7 . 1 1 40 40 GLY H H 40 8.425 8.425 8.846 -0.421 19230 787 1 7 . 1 1 41 41 ALA N N 41 125.640 125.640 123.628 2.012 19230 788 1 7 . 1 1 41 41 ALA HA H 41 4.219 4.219 4.446 -0.227 19230 789 1 7 . 1 1 41 41 ALA H H 41 8.198 8.198 7.683 0.515 19230 790 1 7 . 1 1 43 43 ILE N N 43 114.105 114.105 120.033 -5.928 19230 791 1 7 . 1 1 43 43 ILE HA H 43 4.250 4.250 4.103 0.147 19230 792 1 7 . 1 1 43 43 ILE H H 43 8.879 8.879 7.965 0.914 19230 793 1 7 . 1 1 45 45 ARG N N 45 128.339 128.339 127.903 0.436 19230 794 1 7 . 1 1 45 45 ARG HA H 45 4.111 4.111 4.187 -0.076 19230 795 1 7 . 1 1 45 45 ARG H H 45 7.988 7.988 8.030 -0.042 19230 796 1 7 . 1 1 46 46 GLY N N 46 108.569 108.569 113.468 -4.899 19230 797 1 7 . 1 1 46 46 GLY H H 46 8.891 8.891 8.872 0.019 19230 798 1 7 . 1 1 47 47 ASN N N 47 115.750 115.750 119.851 -4.101 19230 799 1 7 . 1 1 47 47 ASN HA H 47 4.482 4.482 4.646 -0.164 19230 800 1 7 . 1 1 47 47 ASN H H 47 7.648 7.648 7.992 -0.344 19230 801 1 7 . 1 1 48 48 GLY N N 48 107.292 107.292 105.999 1.293 19230 802 1 7 . 1 1 48 48 GLY H H 48 8.275 8.275 8.231 0.044 19230 803 1 7 . 1 1 49 49 TYR N N 49 116.570 116.570 120.780 -4.210 19230 804 1 7 . 1 1 49 49 TYR HA H 49 5.054 5.054 4.862 0.193 19230 805 1 7 . 1 1 49 49 TYR H H 49 7.170 7.170 8.213 -1.043 19230 806 1 8 . 1 1 2 2 GLY N N 2 110.844 110.844 112.830 -1.986 19230 807 1 8 . 1 1 2 2 GLY H H 2 8.891 8.891 8.781 0.110 19230 808 1 8 . 1 1 3 3 SER N N 3 115.464 115.464 119.015 -3.551 19230 809 1 8 . 1 1 3 3 SER HA H 3 4.235 4.235 4.711 -0.476 19230 810 1 8 . 1 1 3 3 SER H H 3 8.320 8.320 8.620 -0.300 19230 811 1 8 . 1 1 4 4 GLY N N 4 107.189 107.189 107.732 -0.543 19230 812 1 8 . 1 1 4 4 GLY H H 4 8.571 8.571 8.268 0.303 19230 813 1 8 . 1 1 5 5 ALA N N 5 122.629 122.629 122.836 -0.207 19230 814 1 8 . 1 1 5 5 ALA HA H 5 3.585 3.585 4.724 -1.139 19230 815 1 8 . 1 1 5 5 ALA H H 5 9.225 9.225 8.190 1.035 19230 816 1 8 . 1 1 6 6 SER N N 6 119.024 119.024 119.472 -0.448 19230 817 1 8 . 1 1 6 6 SER HA H 6 4.127 4.127 4.526 -0.399 19230 818 1 8 . 1 1 6 6 SER H H 6 8.291 8.291 8.835 -0.544 19230 819 1 8 . 1 1 7 7 LYS N N 7 127.760 127.760 120.146 7.614 19230 820 1 8 . 1 1 7 7 LYS HA H 7 4.266 4.266 4.400 -0.134 19230 821 1 8 . 1 1 7 7 LYS H H 7 8.321 8.321 8.165 0.156 19230 822 1 8 . 1 1 8 8 ALA N N 8 125.595 125.595 123.642 1.953 19230 823 1 8 . 1 1 8 8 ALA HA H 8 4.219 4.219 4.384 -0.165 19230 824 1 8 . 1 1 8 8 ALA H H 8 8.200 8.200 7.515 0.685 19230 825 1 8 . 1 1 10 10 THR N N 10 111.647 111.647 117.838 -6.191 19230 826 1 8 . 1 1 10 10 THR HA H 10 4.080 4.080 4.483 -0.403 19230 827 1 8 . 1 1 10 10 THR H H 10 8.107 8.107 8.617 -0.510 19230 828 1 8 . 1 1 11 11 SER N N 11 115.520 115.520 114.301 1.219 19230 829 1 8 . 1 1 11 11 SER HA H 11 4.157 4.157 4.684 -0.527 19230 830 1 8 . 1 1 11 11 SER H H 11 8.216 8.216 7.464 0.752 19230 831 1 8 . 1 1 12 12 PHE N N 12 123.128 123.128 124.158 -1.030 19230 832 1 8 . 1 1 12 12 PHE HA H 12 4.018 4.018 4.388 -0.370 19230 833 1 8 . 1 1 12 12 PHE H H 12 8.877 8.877 9.022 -0.145 19230 834 1 8 . 1 1 13 13 ALA N N 13 123.710 123.710 121.389 2.321 19230 835 1 8 . 1 1 13 13 ALA HA H 13 4.157 4.157 3.853 0.304 19230 836 1 8 . 1 1 13 13 ALA H H 13 8.068 8.068 8.237 -0.169 19230 837 1 8 . 1 1 14 14 GLU N N 14 122.703 122.703 118.250 4.453 19230 838 1 8 . 1 1 14 14 GLU HA H 14 4.142 4.142 4.157 -0.015 19230 839 1 8 . 1 1 14 14 GLU H H 14 7.934 7.934 8.538 -0.604 19230 840 1 8 . 1 1 15 15 TYR N N 15 116.589 116.589 118.092 -1.503 19230 841 1 8 . 1 1 15 15 TYR HA H 15 4.343 4.343 4.513 -0.170 19230 842 1 8 . 1 1 15 15 TYR H H 15 7.394 7.394 8.034 -0.640 19230 843 1 8 . 1 1 16 16 TRP N N 16 118.490 118.490 120.905 -2.415 19230 844 1 8 . 1 1 16 16 TRP HA H 16 4.034 4.034 4.518 -0.484 19230 845 1 8 . 1 1 16 16 TRP H H 16 7.996 7.996 7.384 0.612 19230 846 1 8 . 1 1 17 17 ASN N N 17 110.763 110.763 118.100 -7.337 19230 847 1 8 . 1 1 17 17 ASN HA H 17 4.328 4.328 4.381 -0.053 19230 848 1 8 . 1 1 17 17 ASN H H 17 8.470 8.470 8.135 0.335 19230 849 1 8 . 1 1 18 18 LEU N N 18 111.233 111.233 119.277 -8.044 19230 850 1 8 . 1 1 18 18 LEU HA H 18 3.771 3.771 4.238 -0.467 19230 851 1 8 . 1 1 18 18 LEU H H 18 8.449 8.449 7.427 1.022 19230 852 1 8 . 1 1 19 19 LEU N N 19 113.116 113.116 119.859 -6.743 19230 853 1 8 . 1 1 19 19 LEU HA H 19 4.018 4.018 3.969 0.049 19230 854 1 8 . 1 1 19 19 LEU H H 19 7.456 7.456 7.467 -0.011 19230 855 1 8 . 1 1 20 20 SER N N 20 111.251 111.251 112.064 -0.813 19230 856 1 8 . 1 1 20 20 SER HA H 20 3.972 3.972 3.940 0.032 19230 857 1 8 . 1 1 20 20 SER H H 20 8.003 8.003 7.877 0.126 19230 858 1 8 . 1 1 21 21 ALA N N 21 123.375 123.375 122.779 0.596 19230 859 1 8 . 1 1 21 21 ALA HA H 21 4.111 4.111 4.320 -0.209 19230 860 1 8 . 1 1 21 21 ALA H H 21 7.442 7.442 7.309 0.133 19230 861 1 8 . 1 1 22 22 GLY N N 22 106.566 106.566 106.704 -0.138 19230 862 1 8 . 1 1 22 22 GLY H H 22 7.879 7.879 8.021 -0.142 19230 863 1 8 . 1 1 23 23 GLY N N 23 107.532 107.532 110.020 -2.488 19230 864 1 8 . 1 1 23 23 GLY H H 23 8.033 8.033 7.899 0.134 19230 865 1 8 . 1 1 24 24 VAL N N 24 117.804 117.804 116.791 1.013 19230 866 1 8 . 1 1 24 24 VAL HA H 24 3.987 3.987 4.141 -0.154 19230 867 1 8 . 1 1 24 24 VAL H H 24 7.950 7.950 8.010 -0.060 19230 868 1 8 . 1 1 26 26 PRO HA H 26 4.420 4.420 4.273 0.147 19230 869 1 8 . 1 1 27 27 LYS N N 27 120.668 120.668 113.606 7.062 19230 870 1 8 . 1 1 27 27 LYS HA H 27 4.096 4.096 3.907 0.189 19230 871 1 8 . 1 1 27 27 LYS H H 27 8.125 8.125 8.027 0.098 19230 872 1 8 . 1 1 28 28 ILE N N 28 121.619 121.619 116.934 4.685 19230 873 1 8 . 1 1 28 28 ILE HA H 28 4.204 4.204 4.019 0.185 19230 874 1 8 . 1 1 28 28 ILE H H 28 7.550 7.550 8.030 -0.480 19230 875 1 8 . 1 1 29 29 LEU N N 29 128.057 128.057 121.653 6.404 19230 876 1 8 . 1 1 29 29 LEU HA H 29 4.358 4.358 4.362 -0.004 19230 877 1 8 . 1 1 29 29 LEU H H 29 8.593 8.593 8.208 0.385 19230 878 1 8 . 1 1 30 30 GLN N N 30 126.353 126.353 120.084 6.269 19230 879 1 8 . 1 1 30 30 GLN HA H 30 4.358 4.358 4.261 0.097 19230 880 1 8 . 1 1 30 30 GLN H H 30 8.817 8.817 7.957 0.860 19230 881 1 8 . 1 1 31 31 ARG N N 31 127.641 127.641 126.047 1.594 19230 882 1 8 . 1 1 31 31 ARG HA H 31 4.266 4.266 4.167 0.099 19230 883 1 8 . 1 1 31 31 ARG H H 31 8.659 8.659 8.661 -0.002 19230 884 1 8 . 1 1 33 33 ARG N N 33 117.135 117.135 117.921 -0.786 19230 885 1 8 . 1 1 33 33 ARG HA H 33 4.575 4.575 4.468 0.107 19230 886 1 8 . 1 1 33 33 ARG H H 33 7.952 7.952 8.351 -0.399 19230 887 1 8 . 1 1 34 34 ARG N N 34 117.368 117.368 118.868 -1.500 19230 888 1 8 . 1 1 34 34 ARG HA H 34 4.266 4.266 4.524 -0.258 19230 889 1 8 . 1 1 34 34 ARG H H 34 9.221 9.221 8.344 0.877 19230 890 1 8 . 1 1 35 35 ASP N N 35 124.250 124.250 118.289 5.961 19230 891 1 8 . 1 1 35 35 ASP HA H 35 4.559 4.559 4.681 -0.122 19230 892 1 8 . 1 1 35 35 ASP H H 35 9.062 9.062 8.529 0.533 19230 893 1 8 . 1 1 36 36 SER N N 36 111.255 111.255 117.082 -5.827 19230 894 1 8 . 1 1 36 36 SER HA H 36 3.957 3.957 4.184 -0.227 19230 895 1 8 . 1 1 36 36 SER H H 36 8.009 8.009 8.121 -0.112 19230 896 1 8 . 1 1 37 37 ASP N N 37 120.379 120.379 120.055 0.324 19230 897 1 8 . 1 1 37 37 ASP HA H 37 4.374 4.374 4.528 -0.154 19230 898 1 8 . 1 1 37 37 ASP H H 37 7.592 7.592 8.333 -0.741 19230 899 1 8 . 1 1 39 39 PRO HA H 39 4.670 4.670 4.459 0.211 19230 900 1 8 . 1 1 40 40 GLY N N 40 107.269 107.269 112.690 -5.421 19230 901 1 8 . 1 1 40 40 GLY H H 40 8.425 8.425 8.841 -0.416 19230 902 1 8 . 1 1 41 41 ALA N N 41 125.640 125.640 122.838 2.802 19230 903 1 8 . 1 1 41 41 ALA HA H 41 4.219 4.219 4.360 -0.141 19230 904 1 8 . 1 1 41 41 ALA H H 41 8.198 8.198 7.806 0.392 19230 905 1 8 . 1 1 43 43 ILE N N 43 114.105 114.105 117.889 -3.784 19230 906 1 8 . 1 1 43 43 ILE HA H 43 4.250 4.250 4.356 -0.106 19230 907 1 8 . 1 1 43 43 ILE H H 43 8.879 8.879 8.164 0.715 19230 908 1 8 . 1 1 45 45 ARG N N 45 128.339 128.339 126.976 1.363 19230 909 1 8 . 1 1 45 45 ARG HA H 45 4.111 4.111 4.145 -0.034 19230 910 1 8 . 1 1 45 45 ARG H H 45 7.988 7.988 7.963 0.025 19230 911 1 8 . 1 1 46 46 GLY N N 46 108.569 108.569 110.426 -1.857 19230 912 1 8 . 1 1 46 46 GLY H H 46 8.891 8.891 9.002 -0.111 19230 913 1 8 . 1 1 47 47 ASN N N 47 115.750 115.750 118.737 -2.987 19230 914 1 8 . 1 1 47 47 ASN HA H 47 4.482 4.482 4.757 -0.275 19230 915 1 8 . 1 1 47 47 ASN H H 47 7.648 7.648 8.058 -0.410 19230 916 1 8 . 1 1 48 48 GLY N N 48 107.292 107.292 105.900 1.392 19230 917 1 8 . 1 1 48 48 GLY H H 48 8.275 8.275 8.243 0.032 19230 918 1 8 . 1 1 49 49 TYR N N 49 116.570 116.570 119.779 -3.209 19230 919 1 8 . 1 1 49 49 TYR HA H 49 5.054 5.054 4.816 0.238 19230 920 1 8 . 1 1 49 49 TYR H H 49 7.170 7.170 7.587 -0.417 19230 921 1 9 . 1 1 2 2 GLY N N 2 110.844 110.844 112.241 -1.397 19230 922 1 9 . 1 1 2 2 GLY H H 2 8.891 8.891 8.584 0.307 19230 923 1 9 . 1 1 3 3 SER N N 3 115.464 115.464 119.587 -4.123 19230 924 1 9 . 1 1 3 3 SER HA H 3 4.235 4.235 4.616 -0.381 19230 925 1 9 . 1 1 3 3 SER H H 3 8.320 8.320 8.167 0.153 19230 926 1 9 . 1 1 4 4 GLY N N 4 107.189 107.189 108.919 -1.730 19230 927 1 9 . 1 1 4 4 GLY H H 4 8.571 8.571 7.934 0.637 19230 928 1 9 . 1 1 5 5 ALA N N 5 122.629 122.629 120.926 1.703 19230 929 1 9 . 1 1 5 5 ALA HA H 5 3.585 3.585 4.536 -0.951 19230 930 1 9 . 1 1 5 5 ALA H H 5 9.225 9.225 8.455 0.770 19230 931 1 9 . 1 1 6 6 SER N N 6 119.024 119.024 118.173 0.851 19230 932 1 9 . 1 1 6 6 SER HA H 6 4.127 4.127 4.314 -0.187 19230 933 1 9 . 1 1 6 6 SER H H 6 8.291 8.291 8.878 -0.587 19230 934 1 9 . 1 1 7 7 LYS N N 7 127.760 127.760 120.504 7.256 19230 935 1 9 . 1 1 7 7 LYS HA H 7 4.266 4.266 4.196 0.070 19230 936 1 9 . 1 1 7 7 LYS H H 7 8.321 8.321 8.289 0.032 19230 937 1 9 . 1 1 8 8 ALA N N 8 125.595 125.595 121.582 4.013 19230 938 1 9 . 1 1 8 8 ALA HA H 8 4.219 4.219 4.318 -0.099 19230 939 1 9 . 1 1 8 8 ALA H H 8 8.200 8.200 7.142 1.058 19230 940 1 9 . 1 1 10 10 THR N N 10 111.647 111.647 119.350 -7.703 19230 941 1 9 . 1 1 10 10 THR HA H 10 4.080 4.080 4.525 -0.445 19230 942 1 9 . 1 1 10 10 THR H H 10 8.107 8.107 8.833 -0.726 19230 943 1 9 . 1 1 11 11 SER N N 11 115.520 115.520 116.045 -0.525 19230 944 1 9 . 1 1 11 11 SER HA H 11 4.157 4.157 4.747 -0.590 19230 945 1 9 . 1 1 11 11 SER H H 11 8.216 8.216 7.497 0.719 19230 946 1 9 . 1 1 12 12 PHE N N 12 123.128 123.128 125.059 -1.931 19230 947 1 9 . 1 1 12 12 PHE HA H 12 4.018 4.018 4.262 -0.244 19230 948 1 9 . 1 1 12 12 PHE H H 12 8.877 8.877 8.926 -0.049 19230 949 1 9 . 1 1 13 13 ALA N N 13 123.710 123.710 120.983 2.727 19230 950 1 9 . 1 1 13 13 ALA HA H 13 4.157 4.157 4.307 -0.150 19230 951 1 9 . 1 1 13 13 ALA H H 13 8.068 8.068 8.651 -0.583 19230 952 1 9 . 1 1 14 14 GLU N N 14 122.703 122.703 118.979 3.724 19230 953 1 9 . 1 1 14 14 GLU HA H 14 4.142 4.142 4.306 -0.164 19230 954 1 9 . 1 1 14 14 GLU H H 14 7.934 7.934 8.322 -0.388 19230 955 1 9 . 1 1 15 15 TYR N N 15 116.589 116.589 120.712 -4.123 19230 956 1 9 . 1 1 15 15 TYR HA H 15 4.343 4.343 4.264 0.079 19230 957 1 9 . 1 1 15 15 TYR H H 15 7.394 7.394 8.386 -0.992 19230 958 1 9 . 1 1 16 16 TRP N N 16 118.490 118.490 118.810 -0.320 19230 959 1 9 . 1 1 16 16 TRP HA H 16 4.034 4.034 4.294 -0.260 19230 960 1 9 . 1 1 16 16 TRP H H 16 7.996 7.996 8.850 -0.854 19230 961 1 9 . 1 1 17 17 ASN N N 17 110.763 110.763 119.092 -8.329 19230 962 1 9 . 1 1 17 17 ASN HA H 17 4.328 4.328 4.429 -0.101 19230 963 1 9 . 1 1 17 17 ASN H H 17 8.470 8.470 7.914 0.556 19230 964 1 9 . 1 1 18 18 LEU N N 18 111.233 111.233 119.813 -8.580 19230 965 1 9 . 1 1 18 18 LEU HA H 18 3.771 3.771 4.278 -0.507 19230 966 1 9 . 1 1 18 18 LEU H H 18 8.449 8.449 8.062 0.387 19230 967 1 9 . 1 1 19 19 LEU N N 19 113.116 113.116 119.095 -5.979 19230 968 1 9 . 1 1 19 19 LEU HA H 19 4.018 4.018 4.353 -0.335 19230 969 1 9 . 1 1 19 19 LEU H H 19 7.456 7.456 7.349 0.107 19230 970 1 9 . 1 1 20 20 SER N N 20 111.251 111.251 115.322 -4.071 19230 971 1 9 . 1 1 20 20 SER HA H 20 3.972 3.972 3.963 0.009 19230 972 1 9 . 1 1 20 20 SER H H 20 8.003 8.003 7.652 0.351 19230 973 1 9 . 1 1 21 21 ALA N N 21 123.375 123.375 124.707 -1.332 19230 974 1 9 . 1 1 21 21 ALA HA H 21 4.111 4.111 4.468 -0.357 19230 975 1 9 . 1 1 21 21 ALA H H 21 7.442 7.442 8.174 -0.732 19230 976 1 9 . 1 1 22 22 GLY N N 22 106.566 106.566 110.570 -4.004 19230 977 1 9 . 1 1 22 22 GLY H H 22 7.879 7.879 8.683 -0.804 19230 978 1 9 . 1 1 23 23 GLY N N 23 107.532 107.532 108.291 -0.759 19230 979 1 9 . 1 1 23 23 GLY H H 23 8.033 8.033 8.043 -0.010 19230 980 1 9 . 1 1 24 24 VAL N N 24 117.804 117.804 121.128 -3.324 19230 981 1 9 . 1 1 24 24 VAL HA H 24 3.987 3.987 4.239 -0.252 19230 982 1 9 . 1 1 24 24 VAL H H 24 7.950 7.950 8.072 -0.122 19230 983 1 9 . 1 1 26 26 PRO HA H 26 4.420 4.420 4.455 -0.035 19230 984 1 9 . 1 1 27 27 LYS N N 27 120.668 120.668 114.135 6.533 19230 985 1 9 . 1 1 27 27 LYS HA H 27 4.096 4.096 3.788 0.308 19230 986 1 9 . 1 1 27 27 LYS H H 27 8.125 8.125 8.196 -0.071 19230 987 1 9 . 1 1 28 28 ILE N N 28 121.619 121.619 114.965 6.654 19230 988 1 9 . 1 1 28 28 ILE HA H 28 4.204 4.204 3.905 0.299 19230 989 1 9 . 1 1 28 28 ILE H H 28 7.550 7.550 7.701 -0.151 19230 990 1 9 . 1 1 29 29 LEU N N 29 128.057 128.057 123.961 4.096 19230 991 1 9 . 1 1 29 29 LEU HA H 29 4.358 4.358 4.195 0.163 19230 992 1 9 . 1 1 29 29 LEU H H 29 8.593 8.593 8.313 0.280 19230 993 1 9 . 1 1 30 30 GLN N N 30 126.353 126.353 120.322 6.031 19230 994 1 9 . 1 1 30 30 GLN HA H 30 4.358 4.358 4.232 0.126 19230 995 1 9 . 1 1 30 30 GLN H H 30 8.817 8.817 7.795 1.022 19230 996 1 9 . 1 1 31 31 ARG N N 31 127.641 127.641 127.591 0.050 19230 997 1 9 . 1 1 31 31 ARG HA H 31 4.266 4.266 4.564 -0.298 19230 998 1 9 . 1 1 31 31 ARG H H 31 8.659 8.659 8.719 -0.060 19230 999 1 9 . 1 1 33 33 ARG N N 33 117.135 117.135 118.771 -1.636 19230 1000 1 9 . 1 1 33 33 ARG HA H 33 4.575 4.575 4.449 0.126 19230 1001 1 9 . 1 1 33 33 ARG H H 33 7.952 7.952 8.433 -0.481 19230 1002 1 9 . 1 1 34 34 ARG N N 34 117.368 117.368 119.854 -2.486 19230 1003 1 9 . 1 1 34 34 ARG HA H 34 4.266 4.266 4.590 -0.324 19230 1004 1 9 . 1 1 34 34 ARG H H 34 9.221 9.221 7.598 1.623 19230 1005 1 9 . 1 1 35 35 ASP N N 35 124.250 124.250 118.292 5.958 19230 1006 1 9 . 1 1 35 35 ASP HA H 35 4.559 4.559 4.619 -0.060 19230 1007 1 9 . 1 1 35 35 ASP H H 35 9.062 9.062 8.718 0.344 19230 1008 1 9 . 1 1 36 36 SER N N 36 111.255 111.255 115.554 -4.299 19230 1009 1 9 . 1 1 36 36 SER HA H 36 3.957 3.957 4.366 -0.409 19230 1010 1 9 . 1 1 36 36 SER H H 36 8.009 8.009 8.446 -0.437 19230 1011 1 9 . 1 1 37 37 ASP N N 37 120.379 120.379 120.447 -0.068 19230 1012 1 9 . 1 1 37 37 ASP HA H 37 4.374 4.374 4.751 -0.377 19230 1013 1 9 . 1 1 37 37 ASP H H 37 7.592 7.592 7.585 0.007 19230 1014 1 9 . 1 1 39 39 PRO HA H 39 4.670 4.670 4.487 0.183 19230 1015 1 9 . 1 1 40 40 GLY N N 40 107.269 107.269 110.086 -2.817 19230 1016 1 9 . 1 1 40 40 GLY H H 40 8.425 8.425 8.594 -0.169 19230 1017 1 9 . 1 1 41 41 ALA N N 41 125.640 125.640 125.768 -0.128 19230 1018 1 9 . 1 1 41 41 ALA HA H 41 4.219 4.219 4.672 -0.453 19230 1019 1 9 . 1 1 41 41 ALA H H 41 8.198 8.198 7.992 0.206 19230 1020 1 9 . 1 1 43 43 ILE N N 43 114.105 114.105 115.876 -1.771 19230 1021 1 9 . 1 1 43 43 ILE HA H 43 4.250 4.250 4.353 -0.103 19230 1022 1 9 . 1 1 43 43 ILE H H 43 8.879 8.879 7.852 1.027 19230 1023 1 9 . 1 1 45 45 ARG N N 45 128.339 128.339 126.516 1.823 19230 1024 1 9 . 1 1 45 45 ARG HA H 45 4.111 4.111 4.105 0.006 19230 1025 1 9 . 1 1 45 45 ARG H H 45 7.988 7.988 8.341 -0.353 19230 1026 1 9 . 1 1 46 46 GLY N N 46 108.569 108.569 115.985 -7.416 19230 1027 1 9 . 1 1 46 46 GLY H H 46 8.891 8.891 8.761 0.130 19230 1028 1 9 . 1 1 47 47 ASN N N 47 115.750 115.750 121.734 -5.984 19230 1029 1 9 . 1 1 47 47 ASN HA H 47 4.482 4.482 4.308 0.174 19230 1030 1 9 . 1 1 47 47 ASN H H 47 7.648 7.648 8.468 -0.820 19230 1031 1 9 . 1 1 48 48 GLY N N 48 107.292 107.292 104.031 3.261 19230 1032 1 9 . 1 1 48 48 GLY H H 48 8.275 8.275 8.279 -0.004 19230 1033 1 9 . 1 1 49 49 TYR N N 49 116.570 116.570 118.482 -1.912 19230 1034 1 9 . 1 1 49 49 TYR HA H 49 5.054 5.054 5.376 -0.322 19230 1035 1 9 . 1 1 49 49 TYR H H 49 7.170 7.170 7.651 -0.481 19230 1036 1 10 . 1 1 2 2 GLY N N 2 110.844 110.844 110.193 0.651 19230 1037 1 10 . 1 1 2 2 GLY H H 2 8.891 8.891 8.700 0.191 19230 1038 1 10 . 1 1 3 3 SER N N 3 115.464 115.464 117.743 -2.279 19230 1039 1 10 . 1 1 3 3 SER HA H 3 4.235 4.235 4.432 -0.197 19230 1040 1 10 . 1 1 3 3 SER H H 3 8.320 8.320 7.858 0.462 19230 1041 1 10 . 1 1 4 4 GLY N N 4 107.189 107.189 109.831 -2.642 19230 1042 1 10 . 1 1 4 4 GLY H H 4 8.571 8.571 7.853 0.718 19230 1043 1 10 . 1 1 5 5 ALA N N 5 122.629 122.629 121.759 0.870 19230 1044 1 10 . 1 1 5 5 ALA HA H 5 3.585 3.585 4.554 -0.969 19230 1045 1 10 . 1 1 5 5 ALA H H 5 9.225 9.225 8.392 0.833 19230 1046 1 10 . 1 1 6 6 SER N N 6 119.024 119.024 115.751 3.273 19230 1047 1 10 . 1 1 6 6 SER HA H 6 4.127 4.127 4.202 -0.075 19230 1048 1 10 . 1 1 6 6 SER H H 6 8.291 8.291 8.160 0.131 19230 1049 1 10 . 1 1 7 7 LYS N N 7 127.760 127.760 120.511 7.249 19230 1050 1 10 . 1 1 7 7 LYS HA H 7 4.266 4.266 4.370 -0.104 19230 1051 1 10 . 1 1 7 7 LYS H H 7 8.321 8.321 7.622 0.699 19230 1052 1 10 . 1 1 8 8 ALA N N 8 125.595 125.595 120.993 4.602 19230 1053 1 10 . 1 1 8 8 ALA HA H 8 4.219 4.219 4.584 -0.365 19230 1054 1 10 . 1 1 8 8 ALA H H 8 8.200 8.200 7.837 0.363 19230 1055 1 10 . 1 1 10 10 THR N N 10 111.647 111.647 114.826 -3.179 19230 1056 1 10 . 1 1 10 10 THR HA H 10 4.080 4.080 4.528 -0.448 19230 1057 1 10 . 1 1 10 10 THR H H 10 8.107 8.107 8.749 -0.642 19230 1058 1 10 . 1 1 11 11 SER N N 11 115.520 115.520 115.573 -0.053 19230 1059 1 10 . 1 1 11 11 SER HA H 11 4.157 4.157 4.752 -0.595 19230 1060 1 10 . 1 1 11 11 SER H H 11 8.216 8.216 7.918 0.298 19230 1061 1 10 . 1 1 12 12 PHE N N 12 123.128 123.128 120.052 3.076 19230 1062 1 10 . 1 1 12 12 PHE HA H 12 4.018 4.018 4.413 -0.395 19230 1063 1 10 . 1 1 12 12 PHE H H 12 8.877 8.877 8.592 0.285 19230 1064 1 10 . 1 1 13 13 ALA N N 13 123.710 123.710 120.127 3.583 19230 1065 1 10 . 1 1 13 13 ALA HA H 13 4.157 4.157 4.187 -0.030 19230 1066 1 10 . 1 1 13 13 ALA H H 13 8.068 8.068 7.501 0.567 19230 1067 1 10 . 1 1 14 14 GLU N N 14 122.703 122.703 116.895 5.808 19230 1068 1 10 . 1 1 14 14 GLU HA H 14 4.142 4.142 4.314 -0.172 19230 1069 1 10 . 1 1 14 14 GLU H H 14 7.934 7.934 7.939 -0.005 19230 1070 1 10 . 1 1 15 15 TYR N N 15 116.589 116.589 119.369 -2.780 19230 1071 1 10 . 1 1 15 15 TYR HA H 15 4.343 4.343 4.420 -0.077 19230 1072 1 10 . 1 1 15 15 TYR H H 15 7.394 7.394 8.229 -0.835 19230 1073 1 10 . 1 1 16 16 TRP N N 16 118.490 118.490 121.854 -3.364 19230 1074 1 10 . 1 1 16 16 TRP HA H 16 4.034 4.034 4.910 -0.876 19230 1075 1 10 . 1 1 16 16 TRP H H 16 7.996 7.996 8.330 -0.334 19230 1076 1 10 . 1 1 17 17 ASN N N 17 110.763 110.763 120.651 -9.888 19230 1077 1 10 . 1 1 17 17 ASN HA H 17 4.328 4.328 4.262 0.066 19230 1078 1 10 . 1 1 17 17 ASN H H 17 8.470 8.470 8.180 0.290 19230 1079 1 10 . 1 1 18 18 LEU N N 18 111.233 111.233 119.333 -8.100 19230 1080 1 10 . 1 1 18 18 LEU HA H 18 3.771 3.771 4.329 -0.558 19230 1081 1 10 . 1 1 18 18 LEU H H 18 8.449 8.449 8.475 -0.026 19230 1082 1 10 . 1 1 19 19 LEU N N 19 113.116 113.116 119.780 -6.664 19230 1083 1 10 . 1 1 19 19 LEU HA H 19 4.018 4.018 4.396 -0.378 19230 1084 1 10 . 1 1 19 19 LEU H H 19 7.456 7.456 7.345 0.111 19230 1085 1 10 . 1 1 20 20 SER N N 20 111.251 111.251 113.808 -2.557 19230 1086 1 10 . 1 1 20 20 SER HA H 20 3.972 3.972 4.190 -0.218 19230 1087 1 10 . 1 1 20 20 SER H H 20 8.003 8.003 7.600 0.403 19230 1088 1 10 . 1 1 21 21 ALA N N 21 123.375 123.375 129.586 -6.211 19230 1089 1 10 . 1 1 21 21 ALA HA H 21 4.111 4.111 4.532 -0.421 19230 1090 1 10 . 1 1 21 21 ALA H H 21 7.442 7.442 8.845 -1.403 19230 1091 1 10 . 1 1 22 22 GLY N N 22 106.566 106.566 106.508 0.058 19230 1092 1 10 . 1 1 22 22 GLY H H 22 7.879 7.879 7.565 0.314 19230 1093 1 10 . 1 1 23 23 GLY N N 23 107.532 107.532 109.616 -2.084 19230 1094 1 10 . 1 1 23 23 GLY H H 23 8.033 8.033 7.738 0.295 19230 1095 1 10 . 1 1 24 24 VAL N N 24 117.804 117.804 117.449 0.355 19230 1096 1 10 . 1 1 24 24 VAL HA H 24 3.987 3.987 4.534 -0.547 19230 1097 1 10 . 1 1 24 24 VAL H H 24 7.950 7.950 7.962 -0.012 19230 1098 1 10 . 1 1 26 26 PRO HA H 26 4.420 4.420 4.218 0.202 19230 1099 1 10 . 1 1 27 27 LYS N N 27 120.668 120.668 114.072 6.596 19230 1100 1 10 . 1 1 27 27 LYS HA H 27 4.096 4.096 4.120 -0.024 19230 1101 1 10 . 1 1 27 27 LYS H H 27 8.125 8.125 8.149 -0.024 19230 1102 1 10 . 1 1 28 28 ILE N N 28 121.619 121.619 117.340 4.279 19230 1103 1 10 . 1 1 28 28 ILE HA H 28 4.204 4.204 4.461 -0.257 19230 1104 1 10 . 1 1 28 28 ILE H H 28 7.550 7.550 8.236 -0.686 19230 1105 1 10 . 1 1 29 29 LEU N N 29 128.057 128.057 127.382 0.675 19230 1106 1 10 . 1 1 29 29 LEU HA H 29 4.358 4.358 4.573 -0.215 19230 1107 1 10 . 1 1 29 29 LEU H H 29 8.593 8.593 8.754 -0.161 19230 1108 1 10 . 1 1 30 30 GLN N N 30 126.353 126.353 120.341 6.012 19230 1109 1 10 . 1 1 30 30 GLN HA H 30 4.358 4.358 4.659 -0.301 19230 1110 1 10 . 1 1 30 30 GLN H H 30 8.817 8.817 8.021 0.796 19230 1111 1 10 . 1 1 31 31 ARG N N 31 127.641 127.641 123.431 4.210 19230 1112 1 10 . 1 1 31 31 ARG HA H 31 4.266 4.266 3.778 0.488 19230 1113 1 10 . 1 1 31 31 ARG H H 31 8.659 8.659 8.367 0.292 19230 1114 1 10 . 1 1 33 33 ARG N N 33 117.135 117.135 120.520 -3.385 19230 1115 1 10 . 1 1 33 33 ARG HA H 33 4.575 4.575 4.349 0.226 19230 1116 1 10 . 1 1 33 33 ARG H H 33 7.952 7.952 8.259 -0.307 19230 1117 1 10 . 1 1 34 34 ARG N N 34 117.368 117.368 117.024 0.344 19230 1118 1 10 . 1 1 34 34 ARG HA H 34 4.266 4.266 4.530 -0.264 19230 1119 1 10 . 1 1 34 34 ARG H H 34 9.221 9.221 8.015 1.206 19230 1120 1 10 . 1 1 35 35 ASP N N 35 124.250 124.250 118.594 5.656 19230 1121 1 10 . 1 1 35 35 ASP HA H 35 4.559 4.559 4.805 -0.246 19230 1122 1 10 . 1 1 35 35 ASP H H 35 9.062 9.062 8.711 0.351 19230 1123 1 10 . 1 1 36 36 SER N N 36 111.255 111.255 115.039 -3.784 19230 1124 1 10 . 1 1 36 36 SER HA H 36 3.957 3.957 4.454 -0.497 19230 1125 1 10 . 1 1 36 36 SER H H 36 8.009 8.009 8.309 -0.300 19230 1126 1 10 . 1 1 37 37 ASP N N 37 120.379 120.379 118.778 1.601 19230 1127 1 10 . 1 1 37 37 ASP HA H 37 4.374 4.374 4.754 -0.380 19230 1128 1 10 . 1 1 37 37 ASP H H 37 7.592 7.592 7.716 -0.124 19230 1129 1 10 . 1 1 39 39 PRO HA H 39 4.670 4.670 4.324 0.346 19230 1130 1 10 . 1 1 40 40 GLY N N 40 107.269 107.269 113.183 -5.914 19230 1131 1 10 . 1 1 40 40 GLY H H 40 8.425 8.425 8.662 -0.237 19230 1132 1 10 . 1 1 41 41 ALA N N 41 125.640 125.640 123.866 1.774 19230 1133 1 10 . 1 1 41 41 ALA HA H 41 4.219 4.219 4.428 -0.209 19230 1134 1 10 . 1 1 41 41 ALA H H 41 8.198 8.198 8.270 -0.072 19230 1135 1 10 . 1 1 43 43 ILE N N 43 114.105 114.105 121.960 -7.855 19230 1136 1 10 . 1 1 43 43 ILE HA H 43 4.250 4.250 3.999 0.251 19230 1137 1 10 . 1 1 43 43 ILE H H 43 8.879 8.879 7.565 1.314 19230 1138 1 10 . 1 1 45 45 ARG N N 45 128.339 128.339 127.828 0.511 19230 1139 1 10 . 1 1 45 45 ARG HA H 45 4.111 4.111 4.069 0.042 19230 1140 1 10 . 1 1 45 45 ARG H H 45 7.988 7.988 8.068 -0.080 19230 1141 1 10 . 1 1 46 46 GLY N N 46 108.569 108.569 112.952 -4.383 19230 1142 1 10 . 1 1 46 46 GLY H H 46 8.891 8.891 8.739 0.152 19230 1143 1 10 . 1 1 47 47 ASN N N 47 115.750 115.750 118.796 -3.046 19230 1144 1 10 . 1 1 47 47 ASN HA H 47 4.482 4.482 4.893 -0.411 19230 1145 1 10 . 1 1 47 47 ASN H H 47 7.648 7.648 7.794 -0.146 19230 1146 1 10 . 1 1 48 48 GLY N N 48 107.292 107.292 106.909 0.383 19230 1147 1 10 . 1 1 48 48 GLY H H 48 8.275 8.275 8.516 -0.241 19230 1148 1 10 . 1 1 49 49 TYR N N 49 116.570 116.570 119.603 -3.033 19230 1149 1 10 . 1 1 49 49 TYR HA H 49 5.054 5.054 4.982 0.071 19230 1150 1 10 . 1 1 49 49 TYR H H 49 7.170 7.170 7.888 -0.718 19230 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 40 3.986 0.485 4.007 19230 2 1 1 "Average Difference" HA 49 0.276 0.105 0.257 19230 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19230 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 19230 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 19230 6 1 1 "Average Difference" HN 40 0.484 -0.068 0.485 19230 7 1 2 "Average Difference" N 40 4.424 0.391 4.462 19230 8 1 2 "Average Difference" HA 49 0.285 0.112 0.265 19230 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19230 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 19230 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 19230 12 1 2 "Average Difference" HN 40 0.513 -0.146 0.498 19230 13 1 3 "Average Difference" N 40 3.602 0.150 3.645 19230 14 1 3 "Average Difference" HA 49 0.298 0.112 0.279 19230 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19230 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 19230 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 19230 18 1 3 "Average Difference" HN 40 0.526 -0.051 0.530 19230 19 1 4 "Average Difference" N 40 4.417 0.609 4.431 19230 20 1 4 "Average Difference" HA 49 0.289 0.085 0.279 19230 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19230 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 19230 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 19230 24 1 4 "Average Difference" HN 40 0.638 -0.113 0.636 19230 25 1 5 "Average Difference" N 40 4.035 0.552 4.048 19230 26 1 5 "Average Difference" HA 49 0.328 0.137 0.301 19230 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19230 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 19230 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 19230 30 1 5 "Average Difference" HN 40 0.574 -0.111 0.570 19230 31 1 6 "Average Difference" N 40 4.707 0.257 4.760 19230 32 1 6 "Average Difference" HA 49 0.373 0.144 0.348 19230 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19230 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 19230 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 19230 36 1 6 "Average Difference" HN 40 0.600 -0.044 0.606 19230 37 1 7 "Average Difference" N 40 4.326 0.623 4.335 19230 38 1 7 "Average Difference" HA 49 0.322 0.127 0.299 19230 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19230 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 19230 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 19230 42 1 7 "Average Difference" HN 40 0.622 -0.094 0.623 19230 43 1 8 "Average Difference" N 40 3.970 0.295 4.010 19230 44 1 8 "Average Difference" HA 49 0.322 0.112 0.305 19230 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19230 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 19230 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 19230 48 1 8 "Average Difference" HN 40 0.485 -0.078 0.485 19230 49 1 9 "Average Difference" N 40 4.311 0.802 4.289 19230 50 1 9 "Average Difference" HA 49 0.312 0.125 0.289 19230 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19230 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 19230 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 19230 54 1 9 "Average Difference" HN 40 0.594 -0.021 0.601 19230 55 1 10 "Average Difference" N 40 4.344 0.491 4.371 19230 56 1 10 "Average Difference" HA 49 0.353 0.169 0.313 19230 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19230 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 19230 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 19230 60 1 10 "Average Difference" HN 40 0.539 -0.093 0.538 19230 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 19230 _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 GLY N N 2 110.844 110.844 111.383 -0.539 19230 2 1 . 1 1 2 2 GLY H H 2 8.891 8.891 8.656 0.235 19230 3 1 . 1 1 3 3 SER N N 3 115.464 115.464 118.531 -3.067 19230 4 1 . 1 1 3 3 SER HA H 3 4.235 4.235 4.652 -0.417 19230 5 1 . 1 1 3 3 SER H H 3 8.320 8.320 8.306 0.014 19230 6 1 . 1 1 4 4 GLY N N 4 107.189 107.189 109.045 -1.856 19230 7 1 . 1 1 4 4 GLY H H 4 8.571 8.571 7.830 0.741 19230 8 1 . 1 1 5 5 ALA N N 5 122.629 122.629 122.091 0.538 19230 9 1 . 1 1 5 5 ALA HA H 5 3.585 3.585 4.512 -0.927 19230 10 1 . 1 1 5 5 ALA H H 5 9.225 9.225 8.332 0.893 19230 11 1 . 1 1 6 6 SER N N 6 119.024 119.024 118.701 0.323 19230 12 1 . 1 1 6 6 SER HA H 6 4.127 4.127 4.251 -0.124 19230 13 1 . 1 1 6 6 SER H H 6 8.291 8.291 8.578 -0.287 19230 14 1 . 1 1 7 7 LYS N N 7 127.760 127.760 119.981 7.779 19230 15 1 . 1 1 7 7 LYS HA H 7 4.266 4.266 4.347 -0.081 19230 16 1 . 1 1 7 7 LYS H H 7 8.321 8.321 7.891 0.430 19230 17 1 . 1 1 8 8 ALA N N 8 125.595 125.595 122.439 3.156 19230 18 1 . 1 1 8 8 ALA HA H 8 4.219 4.219 4.446 -0.227 19230 19 1 . 1 1 8 8 ALA H H 8 8.200 8.200 7.512 0.688 19230 20 1 . 1 1 10 10 THR N N 10 111.647 111.647 116.723 -5.076 19230 21 1 . 1 1 10 10 THR HA H 10 4.080 4.080 4.530 -0.450 19230 22 1 . 1 1 10 10 THR H H 10 8.107 8.107 8.531 -0.425 19230 23 1 . 1 1 11 11 SER N N 11 115.520 115.520 116.045 -0.524 19230 24 1 . 1 1 11 11 SER HA H 11 4.157 4.157 4.821 -0.664 19230 25 1 . 1 1 11 11 SER H H 11 8.216 8.216 7.711 0.505 19230 26 1 . 1 1 12 12 PHE N N 12 123.128 123.128 123.206 -0.078 19230 27 1 . 1 1 12 12 PHE HA H 12 4.018 4.018 4.286 -0.268 19230 28 1 . 1 1 12 12 PHE H H 12 8.877 8.877 8.761 0.116 19230 29 1 . 1 1 13 13 ALA N N 13 123.710 123.710 119.978 3.733 19230 30 1 . 1 1 13 13 ALA HA H 13 4.157 4.157 4.252 -0.095 19230 31 1 . 1 1 13 13 ALA H H 13 8.068 8.068 8.153 -0.085 19230 32 1 . 1 1 14 14 GLU N N 14 122.703 122.703 118.710 3.993 19230 33 1 . 1 1 14 14 GLU HA H 14 4.142 4.142 4.192 -0.050 19230 34 1 . 1 1 14 14 GLU H H 14 7.934 7.934 8.231 -0.297 19230 35 1 . 1 1 15 15 TYR N N 15 116.589 116.589 119.924 -3.335 19230 36 1 . 1 1 15 15 TYR HA H 15 4.343 4.343 4.320 0.023 19230 37 1 . 1 1 15 15 TYR H H 15 7.394 7.394 8.130 -0.736 19230 38 1 . 1 1 16 16 TRP N N 16 118.490 118.490 120.149 -1.659 19230 39 1 . 1 1 16 16 TRP HA H 16 4.034 4.034 4.420 -0.386 19230 40 1 . 1 1 16 16 TRP H H 16 7.996 7.996 8.034 -0.038 19230 41 1 . 1 1 17 17 ASN N N 17 110.763 110.763 117.906 -7.143 19230 42 1 . 1 1 17 17 ASN HA H 17 4.328 4.328 4.371 -0.043 19230 43 1 . 1 1 17 17 ASN H H 17 8.470 8.470 7.953 0.517 19230 44 1 . 1 1 18 18 LEU N N 18 111.233 111.233 119.421 -8.188 19230 45 1 . 1 1 18 18 LEU HA H 18 3.771 3.771 4.273 -0.502 19230 46 1 . 1 1 18 18 LEU H H 18 8.449 8.449 7.925 0.524 19230 47 1 . 1 1 19 19 LEU N N 19 113.116 113.116 120.166 -7.050 19230 48 1 . 1 1 19 19 LEU HA H 19 4.018 4.018 4.348 -0.331 19230 49 1 . 1 1 19 19 LEU H H 19 7.456 7.456 7.684 -0.228 19230 50 1 . 1 1 20 20 SER N N 20 111.251 111.251 113.091 -1.840 19230 51 1 . 1 1 20 20 SER HA H 20 3.972 3.972 4.013 -0.041 19230 52 1 . 1 1 20 20 SER H H 20 8.003 8.003 7.647 0.356 19230 53 1 . 1 1 21 21 ALA N N 21 123.375 123.375 124.467 -1.092 19230 54 1 . 1 1 21 21 ALA HA H 21 4.111 4.111 4.378 -0.267 19230 55 1 . 1 1 21 21 ALA H H 21 7.442 7.442 7.963 -0.521 19230 56 1 . 1 1 22 22 GLY N N 22 106.566 106.566 109.779 -3.213 19230 57 1 . 1 1 22 22 GLY H H 22 7.879 7.879 8.384 -0.505 19230 58 1 . 1 1 23 23 GLY N N 23 107.532 107.532 109.643 -2.111 19230 59 1 . 1 1 23 23 GLY H H 23 8.033 8.033 7.789 0.244 19230 60 1 . 1 1 24 24 VAL N N 24 117.804 117.804 119.845 -2.041 19230 61 1 . 1 1 24 24 VAL HA H 24 3.987 3.987 4.277 -0.290 19230 62 1 . 1 1 24 24 VAL H H 24 7.950 7.950 7.993 -0.043 19230 63 1 . 1 1 26 26 PRO HA H 26 4.420 4.420 4.349 0.071 19230 64 1 . 1 1 27 27 LYS N N 27 120.668 120.668 114.431 6.236 19230 65 1 . 1 1 27 27 LYS HA H 27 4.096 4.096 3.988 0.108 19230 66 1 . 1 1 27 27 LYS H H 27 8.125 8.125 8.133 -0.008 19230 67 1 . 1 1 28 28 ILE N N 28 121.619 121.619 117.146 4.473 19230 68 1 . 1 1 28 28 ILE HA H 28 4.204 4.204 4.148 0.056 19230 69 1 . 1 1 28 28 ILE H H 28 7.550 7.550 8.019 -0.469 19230 70 1 . 1 1 29 29 LEU N N 29 128.057 128.057 122.500 5.557 19230 71 1 . 1 1 29 29 LEU HA H 29 4.358 4.358 4.353 0.005 19230 72 1 . 1 1 29 29 LEU H H 29 8.593 8.593 8.329 0.264 19230 73 1 . 1 1 30 30 GLN N N 30 126.353 126.353 120.348 6.005 19230 74 1 . 1 1 30 30 GLN HA H 30 4.358 4.358 4.284 0.074 19230 75 1 . 1 1 30 30 GLN H H 30 8.817 8.817 7.946 0.871 19230 76 1 . 1 1 31 31 ARG N N 31 127.641 127.641 125.531 2.110 19230 77 1 . 1 1 31 31 ARG HA H 31 4.266 4.266 4.232 0.034 19230 78 1 . 1 1 31 31 ARG H H 31 8.659 8.659 8.547 0.112 19230 79 1 . 1 1 33 33 ARG N N 33 117.135 117.135 119.372 -2.237 19230 80 1 . 1 1 33 33 ARG HA H 33 4.575 4.575 4.424 0.151 19230 81 1 . 1 1 33 33 ARG H H 33 7.952 7.952 8.438 -0.486 19230 82 1 . 1 1 34 34 ARG N N 34 117.368 117.368 118.141 -0.773 19230 83 1 . 1 1 34 34 ARG HA H 34 4.266 4.266 4.514 -0.248 19230 84 1 . 1 1 34 34 ARG H H 34 9.221 9.221 8.031 1.190 19230 85 1 . 1 1 35 35 ASP N N 35 124.250 124.250 117.743 6.506 19230 86 1 . 1 1 35 35 ASP HA H 35 4.559 4.559 4.720 -0.161 19230 87 1 . 1 1 35 35 ASP H H 35 9.062 9.062 8.581 0.481 19230 88 1 . 1 1 36 36 SER N N 36 111.255 111.255 115.488 -4.233 19230 89 1 . 1 1 36 36 SER HA H 36 3.957 3.957 4.271 -0.314 19230 90 1 . 1 1 36 36 SER H H 36 8.009 8.009 8.197 -0.188 19230 91 1 . 1 1 37 37 ASP N N 37 120.379 120.379 119.950 0.429 19230 92 1 . 1 1 37 37 ASP HA H 37 4.374 4.374 4.629 -0.255 19230 93 1 . 1 1 37 37 ASP H H 37 7.592 7.592 8.115 -0.523 19230 94 1 . 1 1 39 39 PRO HA H 39 4.670 4.670 4.427 0.243 19230 95 1 . 1 1 40 40 GLY N N 40 107.269 107.269 112.656 -5.386 19230 96 1 . 1 1 40 40 GLY H H 40 8.425 8.425 8.786 -0.361 19230 97 1 . 1 1 41 41 ALA N N 41 125.640 125.640 123.241 2.399 19230 98 1 . 1 1 41 41 ALA HA H 41 4.219 4.219 4.440 -0.221 19230 99 1 . 1 1 41 41 ALA H H 41 8.198 8.198 7.846 0.352 19230 100 1 . 1 1 43 43 ILE N N 43 114.105 114.105 118.201 -4.096 19230 101 1 . 1 1 43 43 ILE HA H 43 4.250 4.250 4.296 -0.045 19230 102 1 . 1 1 43 43 ILE H H 43 8.879 8.879 7.857 1.022 19230 103 1 . 1 1 45 45 ARG N N 45 128.339 128.339 126.734 1.605 19230 104 1 . 1 1 45 45 ARG HA H 45 4.111 4.111 4.150 -0.039 19230 105 1 . 1 1 45 45 ARG H H 45 7.988 7.988 8.041 -0.053 19230 106 1 . 1 1 46 46 GLY N N 46 108.569 108.569 112.974 -4.405 19230 107 1 . 1 1 46 46 GLY H H 46 8.891 8.891 8.924 -0.033 19230 108 1 . 1 1 47 47 ASN N N 47 115.750 115.750 119.341 -3.591 19230 109 1 . 1 1 47 47 ASN HA H 47 4.482 4.482 4.620 -0.138 19230 110 1 . 1 1 47 47 ASN H H 47 7.648 7.648 8.086 -0.438 19230 111 1 . 1 1 48 48 GLY N N 48 107.292 107.292 105.187 2.105 19230 112 1 . 1 1 48 48 GLY H H 48 8.275 8.275 8.220 0.055 19230 113 1 . 1 1 49 49 TYR N N 49 116.570 116.570 118.599 -2.029 19230 114 1 . 1 1 49 49 TYR HA H 49 5.054 5.054 5.054 0.000 19230 115 1 . 1 1 49 49 TYR H H 49 7.170 7.170 7.781 -0.610 19230 stop_ save_