data_19556 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19556 _Entry.PDB_ID 2MFO 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 19556 _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 PHE N N 2 120.350 120.350 121.019 -0.669 19556 2 1 1 . 1 1 2 2 PHE HA H 2 4.605 4.605 4.519 0.086 19556 3 1 1 . 1 1 2 2 PHE CB C 2 39.833 39.833 39.125 0.708 19556 4 1 1 . 1 1 2 2 PHE H H 2 8.627 8.627 8.266 0.361 19556 5 1 1 . 1 1 6 6 THR N N 6 118.770 118.770 114.654 4.116 19556 6 1 1 . 1 1 6 6 THR HA H 6 4.607 4.607 4.721 -0.114 19556 7 1 1 . 1 1 6 6 THR CA C 6 57.971 57.971 59.812 -1.841 19556 8 1 1 . 1 1 6 6 THR CB C 6 70.090 70.090 69.106 0.984 19556 9 1 1 . 1 1 6 6 THR H H 6 8.237 8.237 7.713 0.523 19556 10 1 1 . 1 1 7 7 PRO HA H 7 4.401 4.401 4.719 -0.318 19556 11 1 1 . 1 1 7 7 PRO CA C 7 63.349 63.349 62.978 0.371 19556 12 1 1 . 1 1 7 7 PRO CB C 7 32.177 32.177 32.311 -0.134 19556 13 1 1 . 1 1 8 8 GLY N N 8 109.872 109.872 108.227 1.645 19556 14 1 1 . 1 1 8 8 GLY CA C 8 45.172 45.172 45.216 -0.044 19556 15 1 1 . 1 1 8 8 GLY H H 8 8.537 8.537 8.691 -0.154 19556 16 1 1 . 1 1 9 9 ASN N N 9 118.554 118.554 113.873 4.681 19556 17 1 1 . 1 1 9 9 ASN HA H 9 4.762 4.762 4.240 0.522 19556 18 1 1 . 1 1 9 9 ASN H H 9 8.265 8.265 8.436 -0.171 19556 19 1 1 . 1 1 13 13 VAL N N 13 119.253 119.253 122.886 -3.633 19556 20 1 1 . 1 1 13 13 VAL HA H 13 4.124 4.124 4.297 -0.173 19556 21 1 1 . 1 1 13 13 VAL CA C 13 62.435 62.435 62.213 0.222 19556 22 1 1 . 1 1 13 13 VAL H H 13 7.984 7.984 7.920 0.064 19556 23 1 1 . 1 1 14 14 GLY N N 14 109.127 109.127 113.675 -4.548 19556 24 1 1 . 1 1 14 14 GLY CA C 14 45.172 45.172 44.830 0.342 19556 25 1 1 . 1 1 14 14 GLY H H 14 8.437 8.437 8.101 0.336 19556 26 1 2 . 1 1 2 2 PHE N N 2 120.350 120.350 120.897 -0.547 19556 27 1 2 . 1 1 2 2 PHE HA H 2 4.605 4.605 4.469 0.136 19556 28 1 2 . 1 1 2 2 PHE CB C 2 39.833 39.833 39.080 0.753 19556 29 1 2 . 1 1 2 2 PHE H H 2 8.627 8.627 8.154 0.473 19556 30 1 2 . 1 1 6 6 THR N N 6 118.770 118.770 110.633 8.137 19556 31 1 2 . 1 1 6 6 THR HA H 6 4.607 4.607 4.076 0.531 19556 32 1 2 . 1 1 6 6 THR CA C 6 57.971 57.971 62.017 -4.045 19556 33 1 2 . 1 1 6 6 THR CB C 6 70.090 70.090 68.185 1.905 19556 34 1 2 . 1 1 6 6 THR H H 6 8.237 8.237 8.482 -0.245 19556 35 1 2 . 1 1 7 7 PRO HA H 7 4.401 4.401 4.314 0.087 19556 36 1 2 . 1 1 7 7 PRO CA C 7 63.349 63.349 64.017 -0.668 19556 37 1 2 . 1 1 7 7 PRO CB C 7 32.177 32.177 31.388 0.789 19556 38 1 2 . 1 1 8 8 GLY N N 8 109.872 109.872 111.968 -2.096 19556 39 1 2 . 1 1 8 8 GLY CA C 8 45.172 45.172 44.897 0.275 19556 40 1 2 . 1 1 8 8 GLY H H 8 8.537 8.537 8.770 -0.233 19556 41 1 2 . 1 1 9 9 ASN N N 9 118.554 118.554 120.387 -1.833 19556 42 1 2 . 1 1 9 9 ASN HA H 9 4.762 4.762 5.006 -0.244 19556 43 1 2 . 1 1 9 9 ASN H H 9 8.265 8.265 8.003 0.262 19556 44 1 2 . 1 1 13 13 VAL N N 13 119.253 119.253 119.835 -0.582 19556 45 1 2 . 1 1 13 13 VAL HA H 13 4.124 4.124 4.218 -0.094 19556 46 1 2 . 1 1 13 13 VAL CA C 13 62.435 62.435 62.554 -0.119 19556 47 1 2 . 1 1 13 13 VAL H H 13 7.984 7.984 7.942 0.042 19556 48 1 2 . 1 1 14 14 GLY N N 14 109.127 109.127 108.638 0.489 19556 49 1 2 . 1 1 14 14 GLY CA C 14 45.172 45.172 45.553 -0.381 19556 50 1 2 . 1 1 14 14 GLY H H 14 8.437 8.437 8.178 0.259 19556 51 1 3 . 1 1 2 2 PHE N N 2 120.350 120.350 122.125 -1.775 19556 52 1 3 . 1 1 2 2 PHE HA H 2 4.605 4.605 4.445 0.160 19556 53 1 3 . 1 1 2 2 PHE CB C 2 39.833 39.833 38.963 0.870 19556 54 1 3 . 1 1 2 2 PHE H H 2 8.627 8.627 8.416 0.211 19556 55 1 3 . 1 1 6 6 THR N N 6 118.770 118.770 117.114 1.656 19556 56 1 3 . 1 1 6 6 THR HA H 6 4.607 4.607 4.342 0.265 19556 57 1 3 . 1 1 6 6 THR CA C 6 57.971 57.971 61.154 -3.183 19556 58 1 3 . 1 1 6 6 THR CB C 6 70.090 70.090 69.415 0.675 19556 59 1 3 . 1 1 6 6 THR H H 6 8.237 8.237 8.351 -0.114 19556 60 1 3 . 1 1 7 7 PRO HA H 7 4.401 4.401 4.477 -0.076 19556 61 1 3 . 1 1 7 7 PRO CA C 7 63.349 63.349 63.207 0.142 19556 62 1 3 . 1 1 7 7 PRO CB C 7 32.177 32.177 32.176 0.001 19556 63 1 3 . 1 1 8 8 GLY N N 8 109.872 109.872 109.153 0.719 19556 64 1 3 . 1 1 8 8 GLY CA C 8 45.172 45.172 45.462 -0.290 19556 65 1 3 . 1 1 8 8 GLY H H 8 8.537 8.537 8.819 -0.282 19556 66 1 3 . 1 1 9 9 ASN N N 9 118.554 118.554 117.899 0.655 19556 67 1 3 . 1 1 9 9 ASN HA H 9 4.762 4.762 4.818 -0.056 19556 68 1 3 . 1 1 9 9 ASN H H 9 8.265 8.265 7.793 0.472 19556 69 1 3 . 1 1 13 13 VAL N N 13 119.253 119.253 120.843 -1.590 19556 70 1 3 . 1 1 13 13 VAL HA H 13 4.124 4.124 4.190 -0.066 19556 71 1 3 . 1 1 13 13 VAL CA C 13 62.435 62.435 62.295 0.140 19556 72 1 3 . 1 1 13 13 VAL H H 13 7.984 7.984 8.074 -0.090 19556 73 1 3 . 1 1 14 14 GLY N N 14 109.127 109.127 109.864 -0.737 19556 74 1 3 . 1 1 14 14 GLY CA C 14 45.172 45.172 45.984 -0.812 19556 75 1 3 . 1 1 14 14 GLY H H 14 8.437 8.437 8.478 -0.041 19556 76 1 4 . 1 1 2 2 PHE N N 2 120.350 120.350 119.756 0.594 19556 77 1 4 . 1 1 2 2 PHE HA H 2 4.605 4.605 4.899 -0.294 19556 78 1 4 . 1 1 2 2 PHE CB C 2 39.833 39.833 40.059 -0.226 19556 79 1 4 . 1 1 2 2 PHE H H 2 8.627 8.627 8.106 0.521 19556 80 1 4 . 1 1 6 6 THR N N 6 118.770 118.770 116.800 1.970 19556 81 1 4 . 1 1 6 6 THR HA H 6 4.607 4.607 4.454 0.153 19556 82 1 4 . 1 1 6 6 THR CA C 6 57.971 57.971 61.692 -3.721 19556 83 1 4 . 1 1 6 6 THR CB C 6 70.090 70.090 69.834 0.256 19556 84 1 4 . 1 1 6 6 THR H H 6 8.237 8.237 7.727 0.510 19556 85 1 4 . 1 1 7 7 PRO HA H 7 4.401 4.401 4.680 -0.279 19556 86 1 4 . 1 1 7 7 PRO CA C 7 63.349 63.349 62.523 0.826 19556 87 1 4 . 1 1 7 7 PRO CB C 7 32.177 32.177 32.269 -0.092 19556 88 1 4 . 1 1 8 8 GLY N N 8 109.872 109.872 106.409 3.463 19556 89 1 4 . 1 1 8 8 GLY CA C 8 45.172 45.172 44.792 0.380 19556 90 1 4 . 1 1 8 8 GLY H H 8 8.537 8.537 8.544 -0.007 19556 91 1 4 . 1 1 9 9 ASN N N 9 118.554 118.554 117.594 0.960 19556 92 1 4 . 1 1 9 9 ASN HA H 9 4.762 4.762 4.554 0.208 19556 93 1 4 . 1 1 9 9 ASN H H 9 8.265 8.265 8.427 -0.162 19556 94 1 4 . 1 1 13 13 VAL N N 13 119.253 119.253 121.784 -2.531 19556 95 1 4 . 1 1 13 13 VAL HA H 13 4.124 4.124 4.529 -0.405 19556 96 1 4 . 1 1 13 13 VAL CA C 13 62.435 62.435 60.813 1.622 19556 97 1 4 . 1 1 13 13 VAL H H 13 7.984 7.984 7.950 0.034 19556 98 1 4 . 1 1 14 14 GLY N N 14 109.127 109.127 111.208 -2.081 19556 99 1 4 . 1 1 14 14 GLY CA C 14 45.172 45.172 44.807 0.365 19556 100 1 4 . 1 1 14 14 GLY H H 14 8.437 8.437 8.303 0.134 19556 101 1 5 . 1 1 2 2 PHE N N 2 120.350 120.350 121.071 -0.721 19556 102 1 5 . 1 1 2 2 PHE HA H 2 4.605 4.605 4.775 -0.170 19556 103 1 5 . 1 1 2 2 PHE CB C 2 39.833 39.833 38.790 1.043 19556 104 1 5 . 1 1 2 2 PHE H H 2 8.627 8.627 8.488 0.139 19556 105 1 5 . 1 1 6 6 THR N N 6 118.770 118.770 115.121 3.649 19556 106 1 5 . 1 1 6 6 THR HA H 6 4.607 4.607 4.336 0.271 19556 107 1 5 . 1 1 6 6 THR CA C 6 57.971 57.971 61.410 -3.438 19556 108 1 5 . 1 1 6 6 THR CB C 6 70.090 70.090 68.248 1.842 19556 109 1 5 . 1 1 6 6 THR H H 6 8.237 8.237 8.031 0.206 19556 110 1 5 . 1 1 7 7 PRO HA H 7 4.401 4.401 4.349 0.052 19556 111 1 5 . 1 1 7 7 PRO CA C 7 63.349 63.349 63.007 0.342 19556 112 1 5 . 1 1 7 7 PRO CB C 7 32.177 32.177 32.188 -0.011 19556 113 1 5 . 1 1 8 8 GLY N N 8 109.872 109.872 110.243 -0.371 19556 114 1 5 . 1 1 8 8 GLY CA C 8 45.172 45.172 44.638 0.534 19556 115 1 5 . 1 1 8 8 GLY H H 8 8.537 8.537 8.206 0.331 19556 116 1 5 . 1 1 9 9 ASN N N 9 118.554 118.554 117.828 0.726 19556 117 1 5 . 1 1 9 9 ASN HA H 9 4.762 4.762 4.276 0.486 19556 118 1 5 . 1 1 9 9 ASN H H 9 8.265 8.265 8.214 0.051 19556 119 1 5 . 1 1 13 13 VAL N N 13 119.253 119.253 122.129 -2.876 19556 120 1 5 . 1 1 13 13 VAL HA H 13 4.124 4.124 4.310 -0.186 19556 121 1 5 . 1 1 13 13 VAL CA C 13 62.435 62.435 62.556 -0.121 19556 122 1 5 . 1 1 13 13 VAL H H 13 7.984 7.984 8.029 -0.045 19556 123 1 5 . 1 1 14 14 GLY N N 14 109.127 109.127 113.592 -4.465 19556 124 1 5 . 1 1 14 14 GLY CA C 14 45.172 45.172 45.455 -0.283 19556 125 1 5 . 1 1 14 14 GLY H H 14 8.437 8.437 8.159 0.278 19556 126 1 6 . 1 1 2 2 PHE N N 2 120.350 120.350 116.491 3.859 19556 127 1 6 . 1 1 2 2 PHE HA H 2 4.605 4.605 4.062 0.543 19556 128 1 6 . 1 1 2 2 PHE CB C 2 39.833 39.833 38.084 1.748 19556 129 1 6 . 1 1 2 2 PHE H H 2 8.627 8.627 8.297 0.330 19556 130 1 6 . 1 1 6 6 THR N N 6 118.770 118.770 116.744 2.026 19556 131 1 6 . 1 1 6 6 THR HA H 6 4.607 4.607 4.104 0.503 19556 132 1 6 . 1 1 6 6 THR CA C 6 57.971 57.971 62.167 -4.196 19556 133 1 6 . 1 1 6 6 THR CB C 6 70.090 70.090 68.693 1.397 19556 134 1 6 . 1 1 6 6 THR H H 6 8.237 8.237 8.214 0.023 19556 135 1 6 . 1 1 7 7 PRO HA H 7 4.401 4.401 4.573 -0.172 19556 136 1 6 . 1 1 7 7 PRO CA C 7 63.349 63.349 63.602 -0.254 19556 137 1 6 . 1 1 7 7 PRO CB C 7 32.177 32.177 31.834 0.343 19556 138 1 6 . 1 1 8 8 GLY N N 8 109.872 109.872 113.027 -3.155 19556 139 1 6 . 1 1 8 8 GLY CA C 8 45.172 45.172 45.071 0.101 19556 140 1 6 . 1 1 8 8 GLY H H 8 8.537 8.537 8.693 -0.156 19556 141 1 6 . 1 1 9 9 ASN N N 9 118.554 118.554 121.880 -3.326 19556 142 1 6 . 1 1 9 9 ASN HA H 9 4.762 4.762 5.017 -0.255 19556 143 1 6 . 1 1 9 9 ASN H H 9 8.265 8.265 7.867 0.398 19556 144 1 6 . 1 1 13 13 VAL N N 13 119.253 119.253 121.195 -1.942 19556 145 1 6 . 1 1 13 13 VAL HA H 13 4.124 4.124 4.389 -0.265 19556 146 1 6 . 1 1 13 13 VAL CA C 13 62.435 62.435 62.218 0.217 19556 147 1 6 . 1 1 13 13 VAL H H 13 7.984 7.984 8.130 -0.146 19556 148 1 6 . 1 1 14 14 GLY N N 14 109.127 109.127 108.739 0.388 19556 149 1 6 . 1 1 14 14 GLY CA C 14 45.172 45.172 45.530 -0.358 19556 150 1 6 . 1 1 14 14 GLY H H 14 8.437 8.437 8.293 0.144 19556 151 1 7 . 1 1 2 2 PHE N N 2 120.350 120.350 122.455 -2.105 19556 152 1 7 . 1 1 2 2 PHE HA H 2 4.605 4.605 4.446 0.159 19556 153 1 7 . 1 1 2 2 PHE CB C 2 39.833 39.833 38.854 0.979 19556 154 1 7 . 1 1 2 2 PHE H H 2 8.627 8.627 8.493 0.134 19556 155 1 7 . 1 1 6 6 THR N N 6 118.770 118.770 118.599 0.171 19556 156 1 7 . 1 1 6 6 THR HA H 6 4.607 4.607 4.241 0.366 19556 157 1 7 . 1 1 6 6 THR CA C 6 57.971 57.971 61.699 -3.728 19556 158 1 7 . 1 1 6 6 THR CB C 6 70.090 70.090 69.550 0.540 19556 159 1 7 . 1 1 6 6 THR H H 6 8.237 8.237 8.234 0.003 19556 160 1 7 . 1 1 7 7 PRO HA H 7 4.401 4.401 4.598 -0.198 19556 161 1 7 . 1 1 7 7 PRO CA C 7 63.349 63.349 62.248 1.101 19556 162 1 7 . 1 1 7 7 PRO CB C 7 32.177 32.177 32.534 -0.357 19556 163 1 7 . 1 1 8 8 GLY N N 8 109.872 109.872 105.329 4.543 19556 164 1 7 . 1 1 8 8 GLY CA C 8 45.172 45.172 45.230 -0.058 19556 165 1 7 . 1 1 8 8 GLY H H 8 8.537 8.537 8.529 0.008 19556 166 1 7 . 1 1 9 9 ASN N N 9 118.554 118.554 114.415 4.139 19556 167 1 7 . 1 1 9 9 ASN HA H 9 4.762 4.762 4.396 0.366 19556 168 1 7 . 1 1 9 9 ASN H H 9 8.265 8.265 8.365 -0.100 19556 169 1 7 . 1 1 13 13 VAL N N 13 119.253 119.253 122.323 -3.070 19556 170 1 7 . 1 1 13 13 VAL HA H 13 4.124 4.124 5.232 -1.108 19556 171 1 7 . 1 1 13 13 VAL CA C 13 62.435 62.435 60.682 1.753 19556 172 1 7 . 1 1 13 13 VAL H H 13 7.984 7.984 7.673 0.311 19556 173 1 7 . 1 1 14 14 GLY N N 14 109.127 109.127 110.748 -1.621 19556 174 1 7 . 1 1 14 14 GLY CA C 14 45.172 45.172 44.843 0.329 19556 175 1 7 . 1 1 14 14 GLY H H 14 8.437 8.437 8.209 0.229 19556 176 1 8 . 1 1 2 2 PHE N N 2 120.350 120.350 118.784 1.566 19556 177 1 8 . 1 1 2 2 PHE HA H 2 4.605 4.605 4.398 0.207 19556 178 1 8 . 1 1 2 2 PHE CB C 2 39.833 39.833 38.955 0.878 19556 179 1 8 . 1 1 2 2 PHE H H 2 8.627 8.627 8.226 0.401 19556 180 1 8 . 1 1 6 6 THR N N 6 118.770 118.770 118.222 0.548 19556 181 1 8 . 1 1 6 6 THR HA H 6 4.607 4.607 4.222 0.385 19556 182 1 8 . 1 1 6 6 THR CA C 6 57.971 57.971 61.889 -3.918 19556 183 1 8 . 1 1 6 6 THR CB C 6 70.090 70.090 69.066 1.024 19556 184 1 8 . 1 1 6 6 THR H H 6 8.237 8.237 8.161 0.076 19556 185 1 8 . 1 1 7 7 PRO HA H 7 4.401 4.401 4.523 -0.122 19556 186 1 8 . 1 1 7 7 PRO CA C 7 63.349 63.349 62.944 0.405 19556 187 1 8 . 1 1 7 7 PRO CB C 7 32.177 32.177 30.756 1.421 19556 188 1 8 . 1 1 8 8 GLY N N 8 109.872 109.872 110.483 -0.611 19556 189 1 8 . 1 1 8 8 GLY CA C 8 45.172 45.172 44.377 0.795 19556 190 1 8 . 1 1 8 8 GLY H H 8 8.537 8.537 8.185 0.352 19556 191 1 8 . 1 1 9 9 ASN N N 9 118.554 118.554 116.567 1.987 19556 192 1 8 . 1 1 9 9 ASN HA H 9 4.762 4.762 4.689 0.073 19556 193 1 8 . 1 1 9 9 ASN H H 9 8.265 8.265 8.267 -0.002 19556 194 1 8 . 1 1 13 13 VAL N N 13 119.253 119.253 120.684 -1.431 19556 195 1 8 . 1 1 13 13 VAL HA H 13 4.124 4.124 4.322 -0.198 19556 196 1 8 . 1 1 13 13 VAL CA C 13 62.435 62.435 60.882 1.553 19556 197 1 8 . 1 1 13 13 VAL H H 13 7.984 7.984 8.445 -0.461 19556 198 1 8 . 1 1 14 14 GLY N N 14 109.127 109.127 108.128 0.999 19556 199 1 8 . 1 1 14 14 GLY CA C 14 45.172 45.172 44.801 0.371 19556 200 1 8 . 1 1 14 14 GLY H H 14 8.437 8.437 7.628 0.809 19556 201 1 9 . 1 1 2 2 PHE N N 2 120.350 120.350 122.503 -2.153 19556 202 1 9 . 1 1 2 2 PHE HA H 2 4.605 4.605 4.415 0.190 19556 203 1 9 . 1 1 2 2 PHE CB C 2 39.833 39.833 38.704 1.129 19556 204 1 9 . 1 1 2 2 PHE H H 2 8.627 8.627 8.580 0.047 19556 205 1 9 . 1 1 6 6 THR N N 6 118.770 118.770 115.946 2.824 19556 206 1 9 . 1 1 6 6 THR HA H 6 4.607 4.607 4.088 0.519 19556 207 1 9 . 1 1 6 6 THR CA C 6 57.971 57.971 62.171 -4.200 19556 208 1 9 . 1 1 6 6 THR CB C 6 70.090 70.090 68.391 1.699 19556 209 1 9 . 1 1 6 6 THR H H 6 8.237 8.237 8.386 -0.148 19556 210 1 9 . 1 1 7 7 PRO HA H 7 4.401 4.401 4.426 -0.025 19556 211 1 9 . 1 1 7 7 PRO CA C 7 63.349 63.349 62.708 0.641 19556 212 1 9 . 1 1 7 7 PRO CB C 7 32.177 32.177 32.726 -0.549 19556 213 1 9 . 1 1 8 8 GLY N N 8 109.872 109.872 106.141 3.731 19556 214 1 9 . 1 1 8 8 GLY CA C 8 45.172 45.172 45.035 0.137 19556 215 1 9 . 1 1 8 8 GLY H H 8 8.537 8.537 8.495 0.042 19556 216 1 9 . 1 1 9 9 ASN N N 9 118.554 118.554 117.159 1.395 19556 217 1 9 . 1 1 9 9 ASN HA H 9 4.762 4.762 4.157 0.605 19556 218 1 9 . 1 1 9 9 ASN H H 9 8.265 8.265 8.491 -0.226 19556 219 1 9 . 1 1 13 13 VAL N N 13 119.253 119.253 123.489 -4.236 19556 220 1 9 . 1 1 13 13 VAL HA H 13 4.124 4.124 4.425 -0.301 19556 221 1 9 . 1 1 13 13 VAL CA C 13 62.435 62.435 61.049 1.386 19556 222 1 9 . 1 1 13 13 VAL H H 13 7.984 7.984 8.152 -0.168 19556 223 1 9 . 1 1 14 14 GLY N N 14 109.127 109.127 109.437 -0.310 19556 224 1 9 . 1 1 14 14 GLY CA C 14 45.172 45.172 44.678 0.494 19556 225 1 9 . 1 1 14 14 GLY H H 14 8.437 8.437 7.651 0.786 19556 226 1 10 . 1 1 2 2 PHE N N 2 120.350 120.350 119.414 0.936 19556 227 1 10 . 1 1 2 2 PHE HA H 2 4.605 4.605 4.569 0.036 19556 228 1 10 . 1 1 2 2 PHE CB C 2 39.833 39.833 39.148 0.685 19556 229 1 10 . 1 1 2 2 PHE H H 2 8.627 8.627 8.194 0.433 19556 230 1 10 . 1 1 6 6 THR N N 6 118.770 118.770 115.163 3.607 19556 231 1 10 . 1 1 6 6 THR HA H 6 4.607 4.607 4.553 0.054 19556 232 1 10 . 1 1 6 6 THR CA C 6 57.971 57.971 61.901 -3.930 19556 233 1 10 . 1 1 6 6 THR CB C 6 70.090 70.090 70.123 -0.033 19556 234 1 10 . 1 1 6 6 THR H H 6 8.237 8.237 7.596 0.641 19556 235 1 10 . 1 1 7 7 PRO HA H 7 4.401 4.401 5.320 -0.919 19556 236 1 10 . 1 1 7 7 PRO CA C 7 63.349 63.349 61.465 1.884 19556 237 1 10 . 1 1 7 7 PRO CB C 7 32.177 32.177 32.955 -0.778 19556 238 1 10 . 1 1 8 8 GLY N N 8 109.872 109.872 107.782 2.090 19556 239 1 10 . 1 1 8 8 GLY CA C 8 45.172 45.172 45.431 -0.259 19556 240 1 10 . 1 1 8 8 GLY H H 8 8.537 8.537 9.057 -0.520 19556 241 1 10 . 1 1 9 9 ASN N N 9 118.554 118.554 114.807 3.747 19556 242 1 10 . 1 1 9 9 ASN HA H 9 4.762 4.762 4.685 0.077 19556 243 1 10 . 1 1 9 9 ASN H H 9 8.265 8.265 8.207 0.058 19556 244 1 10 . 1 1 13 13 VAL N N 13 119.253 119.253 122.745 -3.492 19556 245 1 10 . 1 1 13 13 VAL HA H 13 4.124 4.124 4.545 -0.421 19556 246 1 10 . 1 1 13 13 VAL CA C 13 62.435 62.435 61.868 0.567 19556 247 1 10 . 1 1 13 13 VAL H H 13 7.984 7.984 8.178 -0.194 19556 248 1 10 . 1 1 14 14 GLY N N 14 109.127 109.127 107.588 1.539 19556 249 1 10 . 1 1 14 14 GLY CA C 14 45.172 45.172 44.709 0.463 19556 250 1 10 . 1 1 14 14 GLY H H 14 8.437 8.437 7.973 0.464 19556 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 6 3.556 -0.265 3.885 19556 2 1 1 "Average Difference" HA 7 0.299 -0.046 0.319 19556 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19556 4 1 1 "Average Difference" CA 5 0.860 0.190 0.937 19556 5 1 1 "Average Difference" CB 3 0.704 -0.519 0.582 19556 6 1 1 "Average Difference" HN 6 0.309 -0.160 0.290 19556 7 1 2 "Average Difference" N 6 3.532 -0.595 3.814 19556 8 1 2 "Average Difference" HA 7 0.268 -0.131 0.252 19556 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19556 10 1 2 "Average Difference" CA 5 1.846 0.988 1.744 19556 11 1 2 "Average Difference" CB 3 1.267 -1.149 0.655 19556 12 1 2 "Average Difference" HN 6 0.281 -0.093 0.291 19556 13 1 3 "Average Difference" N 6 1.285 0.179 1.394 19556 14 1 3 "Average Difference" HA 7 0.175 -0.096 0.158 19556 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19556 16 1 3 "Average Difference" CA 5 1.478 0.801 1.388 19556 17 1 3 "Average Difference" CB 3 0.636 -0.515 0.456 19556 18 1 3 "Average Difference" HN 6 0.248 -0.026 0.271 19556 19 1 4 "Average Difference" N 6 2.156 -0.396 2.321 19556 20 1 4 "Average Difference" HA 7 0.290 0.036 0.311 19556 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19556 22 1 4 "Average Difference" CA 5 1.867 0.106 2.084 19556 23 1 4 "Average Difference" CB 3 0.204 0.020 0.249 19556 24 1 4 "Average Difference" HN 6 0.310 -0.172 0.283 19556 25 1 5 "Average Difference" N 6 2.668 0.676 2.827 19556 26 1 5 "Average Difference" HA 7 0.307 -0.064 0.325 19556 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19556 28 1 5 "Average Difference" CA 5 1.570 0.593 1.625 19556 29 1 5 "Average Difference" CB 3 1.222 -0.958 0.930 19556 30 1 5 "Average Difference" HN 6 0.205 -0.160 0.141 19556 31 1 6 "Average Difference" N 6 2.706 0.358 2.938 19556 32 1 6 "Average Difference" HA 7 0.341 -0.077 0.359 19556 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19556 34 1 6 "Average Difference" CA 5 1.890 0.898 1.859 19556 35 1 6 "Average Difference" CB 3 1.307 -1.163 0.732 19556 36 1 6 "Average Difference" HN 6 0.236 -0.099 0.235 19556 37 1 7 "Average Difference" N 6 3.008 -0.343 3.273 19556 38 1 7 "Average Difference" HA 7 0.490 0.025 0.529 19556 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19556 40 1 7 "Average Difference" CA 5 1.913 0.121 2.134 19556 41 1 7 "Average Difference" CB 3 0.677 -0.387 0.681 19556 42 1 7 "Average Difference" HN 6 0.172 -0.098 0.155 19556 43 1 8 "Average Difference" N 6 1.299 -0.510 1.309 19556 44 1 8 "Average Difference" HA 7 0.196 -0.075 0.196 19556 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19556 46 1 8 "Average Difference" CA 5 1.934 0.159 2.155 19556 47 1 8 "Average Difference" CB 3 1.131 -1.108 0.281 19556 48 1 8 "Average Difference" HN 6 0.439 -0.196 0.431 19556 49 1 9 "Average Difference" N 6 2.784 -0.209 3.042 19556 50 1 9 "Average Difference" HA 7 0.403 -0.147 0.405 19556 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19556 52 1 9 "Average Difference" CA 5 2.012 0.308 2.223 19556 53 1 9 "Average Difference" CB 3 1.220 -0.760 1.169 19556 54 1 9 "Average Difference" HN 6 0.347 -0.056 0.375 19556 55 1 10 "Average Difference" N 6 2.795 -1.404 2.647 19556 56 1 10 "Average Difference" HA 7 0.406 0.099 0.425 19556 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19556 58 1 10 "Average Difference" CA 5 1.980 0.255 2.195 19556 59 1 10 "Average Difference" CB 3 0.599 0.042 0.732 19556 60 1 10 "Average Difference" HN 6 0.433 -0.147 0.446 19556 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 19556 _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 PHE N N 2 120.350 120.350 120.452 -0.102 19556 2 1 . 1 1 2 2 PHE HA H 2 4.605 4.605 4.500 0.105 19556 3 1 . 1 1 2 2 PHE CB C 2 39.833 39.833 38.976 0.857 19556 4 1 . 1 1 2 2 PHE H H 2 8.627 8.627 8.322 0.305 19556 5 1 . 1 1 6 6 THR N N 6 118.770 118.770 115.900 2.870 19556 6 1 . 1 1 6 6 THR HA H 6 4.607 4.607 4.314 0.293 19556 7 1 . 1 1 6 6 THR CA C 6 57.971 57.971 61.591 -3.620 19556 8 1 . 1 1 6 6 THR CB C 6 70.090 70.090 69.061 1.029 19556 9 1 . 1 1 6 6 THR H H 6 8.237 8.237 8.089 0.148 19556 10 1 . 1 1 7 7 PRO HA H 7 4.401 4.401 4.598 -0.197 19556 11 1 . 1 1 7 7 PRO CA C 7 63.349 63.349 62.870 0.479 19556 12 1 . 1 1 7 7 PRO CB C 7 32.177 32.177 32.114 0.063 19556 13 1 . 1 1 8 8 GLY N N 8 109.872 109.872 108.876 0.996 19556 14 1 . 1 1 8 8 GLY CA C 8 45.172 45.172 45.015 0.157 19556 15 1 . 1 1 8 8 GLY H H 8 8.537 8.537 8.599 -0.062 19556 16 1 . 1 1 9 9 ASN N N 9 118.554 118.554 117.241 1.313 19556 17 1 . 1 1 9 9 ASN HA H 9 4.762 4.762 4.584 0.178 19556 18 1 . 1 1 9 9 ASN H H 9 8.265 8.265 8.207 0.058 19556 19 1 . 1 1 13 13 VAL N N 13 119.253 119.253 121.791 -2.538 19556 20 1 . 1 1 13 13 VAL HA H 13 4.124 4.124 4.446 -0.322 19556 21 1 . 1 1 13 13 VAL CA C 13 62.435 62.435 61.713 0.722 19556 22 1 . 1 1 13 13 VAL H H 13 7.984 7.984 8.049 -0.065 19556 23 1 . 1 1 14 14 GLY N N 14 109.127 109.127 110.162 -1.035 19556 24 1 . 1 1 14 14 GLY CA C 14 45.172 45.172 45.119 0.053 19556 25 1 . 1 1 14 14 GLY H H 14 8.437 8.437 8.097 0.340 19556 stop_ save_