data_19674 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19674 _Entry.PDB_ID 2MID 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 19674 _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 LEU N N 2 120.848 120.848 121.475 -0.627 19674 2 1 1 . 1 1 2 2 LEU HA H 2 4.242 4.242 4.708 -0.466 19674 3 1 1 . 1 1 2 2 LEU CA C 2 55.178 55.178 56.359 -1.181 19674 4 1 1 . 1 1 2 2 LEU CB C 2 42.217 42.217 44.613 -2.396 19674 5 1 1 . 1 1 2 2 LEU H H 2 8.184 8.184 8.480 -0.296 19674 6 1 1 . 1 1 3 3 VAL N N 3 124.469 124.469 113.027 11.442 19674 7 1 1 . 1 1 3 3 VAL HA H 3 4.410 4.410 4.685 -0.275 19674 8 1 1 . 1 1 3 3 VAL CA C 3 59.827 59.827 58.382 1.445 19674 9 1 1 . 1 1 3 3 VAL CB C 3 32.719 32.719 33.532 -0.813 19674 10 1 1 . 1 1 3 3 VAL H H 3 8.387 8.387 7.572 0.815 19674 11 1 1 . 1 1 4 4 PRO HA H 4 4.375 4.375 4.519 -0.144 19674 12 1 1 . 1 1 4 4 PRO CA C 4 63.493 63.493 63.582 -0.089 19674 13 1 1 . 1 1 4 4 PRO CB C 4 32.186 32.186 30.137 2.049 19674 14 1 1 . 1 1 5 5 SER N N 5 116.475 116.475 115.409 1.066 19674 15 1 1 . 1 1 5 5 SER HA H 5 4.449 4.449 4.526 -0.077 19674 16 1 1 . 1 1 5 5 SER CA C 5 58.367 58.367 58.203 0.164 19674 17 1 1 . 1 1 5 5 SER CB C 5 64.128 64.128 64.038 0.090 19674 18 1 1 . 1 1 5 5 SER H H 5 8.408 8.408 8.255 0.153 19674 19 1 1 . 1 1 6 6 GLY N N 6 110.710 110.710 109.918 0.792 19674 20 1 1 . 1 1 6 6 GLY CA C 6 44.603 44.603 44.585 0.018 19674 21 1 1 . 1 1 6 6 GLY H H 6 8.227 8.227 8.243 -0.016 19674 22 1 1 . 1 1 7 7 PRO HA H 7 4.402 4.402 4.380 0.022 19674 23 1 1 . 1 1 7 7 PRO CA C 7 63.244 63.244 62.723 0.521 19674 24 1 1 . 1 1 7 7 PRO CB C 7 32.212 32.212 32.432 -0.220 19674 25 1 1 . 1 1 8 8 ASN N N 8 120.140 120.140 116.481 3.659 19674 26 1 1 . 1 1 8 8 ASN HA H 8 4.923 4.923 4.627 0.296 19674 27 1 1 . 1 1 8 8 ASN CA C 8 51.392 51.392 53.440 -2.048 19674 28 1 1 . 1 1 8 8 ASN CB C 8 38.826 38.826 37.071 1.755 19674 29 1 1 . 1 1 8 8 ASN H H 8 8.538 8.538 8.556 -0.018 19674 30 1 1 . 1 1 9 9 PRO HA H 9 4.416 4.416 4.638 -0.222 19674 31 1 1 . 1 1 9 9 PRO CB C 9 32.211 32.211 31.590 0.621 19674 32 1 1 . 1 1 10 10 LEU N N 10 105.649 105.649 125.257 -19.608 19674 33 1 1 . 1 1 10 10 LEU HA H 10 4.425 4.425 3.849 0.576 19674 34 1 1 . 1 1 10 10 LEU CA C 10 55.175 55.175 57.984 -2.809 19674 35 1 1 . 1 1 10 10 LEU CB C 10 42.355 42.355 40.776 1.579 19674 36 1 1 . 1 1 10 10 LEU H H 10 8.696 8.696 8.340 0.356 19674 37 1 1 . 1 1 11 11 HIS N N 11 118.257 118.257 117.999 0.258 19674 38 1 1 . 1 1 11 11 HIS HA H 11 4.678 4.678 4.468 0.210 19674 39 1 1 . 1 1 11 11 HIS CA C 11 54.573 54.573 56.396 -1.823 19674 40 1 1 . 1 1 11 11 HIS CB C 11 29.172 29.172 31.496 -2.324 19674 41 1 1 . 1 1 11 11 HIS H H 11 8.213 8.213 8.154 0.059 19674 42 1 2 . 1 1 2 2 LEU N N 2 120.848 120.848 116.800 4.048 19674 43 1 2 . 1 1 2 2 LEU HA H 2 4.242 4.242 3.954 0.287 19674 44 1 2 . 1 1 2 2 LEU CA C 2 55.178 55.178 56.892 -1.714 19674 45 1 2 . 1 1 2 2 LEU CB C 2 42.217 42.217 41.679 0.538 19674 46 1 2 . 1 1 2 2 LEU H H 2 8.184 8.184 8.569 -0.385 19674 47 1 2 . 1 1 3 3 VAL N N 3 124.469 124.469 120.216 4.253 19674 48 1 2 . 1 1 3 3 VAL HA H 3 4.410 4.410 4.544 -0.134 19674 49 1 2 . 1 1 3 3 VAL CA C 3 59.827 59.827 59.025 0.802 19674 50 1 2 . 1 1 3 3 VAL CB C 3 32.719 32.719 34.607 -1.888 19674 51 1 2 . 1 1 3 3 VAL H H 3 8.387 8.387 7.526 0.861 19674 52 1 2 . 1 1 4 4 PRO HA H 4 4.375 4.375 4.777 -0.402 19674 53 1 2 . 1 1 4 4 PRO CA C 4 63.493 63.493 62.850 0.643 19674 54 1 2 . 1 1 4 4 PRO CB C 4 32.186 32.186 30.112 2.074 19674 55 1 2 . 1 1 5 5 SER N N 5 116.475 116.475 116.399 0.076 19674 56 1 2 . 1 1 5 5 SER HA H 5 4.449 4.449 4.605 -0.156 19674 57 1 2 . 1 1 5 5 SER CA C 5 58.367 58.367 57.653 0.714 19674 58 1 2 . 1 1 5 5 SER CB C 5 64.128 64.128 66.084 -1.956 19674 59 1 2 . 1 1 5 5 SER H H 5 8.408 8.408 8.323 0.085 19674 60 1 2 . 1 1 6 6 GLY N N 6 110.710 110.710 110.731 -0.021 19674 61 1 2 . 1 1 6 6 GLY CA C 6 44.603 44.603 44.548 0.055 19674 62 1 2 . 1 1 6 6 GLY H H 6 8.227 8.227 8.289 -0.062 19674 63 1 2 . 1 1 7 7 PRO HA H 7 4.402 4.402 4.417 -0.015 19674 64 1 2 . 1 1 7 7 PRO CA C 7 63.244 63.244 62.961 0.283 19674 65 1 2 . 1 1 7 7 PRO CB C 7 32.212 32.212 32.319 -0.107 19674 66 1 2 . 1 1 8 8 ASN N N 8 120.140 120.140 116.615 3.525 19674 67 1 2 . 1 1 8 8 ASN HA H 8 4.923 4.923 4.515 0.408 19674 68 1 2 . 1 1 8 8 ASN CA C 8 51.392 51.392 53.140 -1.748 19674 69 1 2 . 1 1 8 8 ASN CB C 8 38.826 38.826 37.660 1.167 19674 70 1 2 . 1 1 8 8 ASN H H 8 8.538 8.538 8.695 -0.157 19674 71 1 2 . 1 1 9 9 PRO HA H 9 4.416 4.416 4.580 -0.164 19674 72 1 2 . 1 1 9 9 PRO CB C 9 32.211 32.211 30.631 1.580 19674 73 1 2 . 1 1 10 10 LEU N N 10 105.649 105.649 118.190 -12.541 19674 74 1 2 . 1 1 10 10 LEU HA H 10 4.425 4.425 3.806 0.619 19674 75 1 2 . 1 1 10 10 LEU CA C 10 55.175 55.175 57.675 -2.500 19674 76 1 2 . 1 1 10 10 LEU CB C 10 42.355 42.355 40.663 1.692 19674 77 1 2 . 1 1 10 10 LEU H H 10 8.696 8.696 8.815 -0.119 19674 78 1 2 . 1 1 11 11 HIS N N 11 118.257 118.257 120.378 -2.121 19674 79 1 2 . 1 1 11 11 HIS HA H 11 4.678 4.678 4.642 0.036 19674 80 1 2 . 1 1 11 11 HIS CA C 11 54.573 54.573 55.464 -0.891 19674 81 1 2 . 1 1 11 11 HIS CB C 11 29.172 29.172 28.006 1.165 19674 82 1 2 . 1 1 11 11 HIS H H 11 8.213 8.213 8.134 0.079 19674 83 1 3 . 1 1 2 2 LEU N N 2 120.848 120.848 121.380 -0.532 19674 84 1 3 . 1 1 2 2 LEU HA H 2 4.242 4.242 4.602 -0.360 19674 85 1 3 . 1 1 2 2 LEU CA C 2 55.178 55.178 54.859 0.319 19674 86 1 3 . 1 1 2 2 LEU CB C 2 42.217 42.217 43.969 -1.752 19674 87 1 3 . 1 1 2 2 LEU H H 2 8.184 8.184 8.207 -0.023 19674 88 1 3 . 1 1 3 3 VAL N N 3 124.469 124.469 120.643 3.826 19674 89 1 3 . 1 1 3 3 VAL HA H 3 4.410 4.410 3.930 0.480 19674 90 1 3 . 1 1 3 3 VAL CA C 3 59.827 59.827 61.481 -1.654 19674 91 1 3 . 1 1 3 3 VAL CB C 3 32.719 32.719 32.090 0.629 19674 92 1 3 . 1 1 3 3 VAL H H 3 8.387 8.387 8.381 0.006 19674 93 1 3 . 1 1 4 4 PRO HA H 4 4.375 4.375 4.495 -0.120 19674 94 1 3 . 1 1 4 4 PRO CA C 4 63.493 63.493 63.722 -0.229 19674 95 1 3 . 1 1 4 4 PRO CB C 4 32.186 32.186 30.705 1.481 19674 96 1 3 . 1 1 5 5 SER N N 5 116.475 116.475 118.825 -2.350 19674 97 1 3 . 1 1 5 5 SER HA H 5 4.449 4.449 4.555 -0.106 19674 98 1 3 . 1 1 5 5 SER CA C 5 58.367 58.367 57.481 0.886 19674 99 1 3 . 1 1 5 5 SER CB C 5 64.128 64.128 65.796 -1.668 19674 100 1 3 . 1 1 5 5 SER H H 5 8.408 8.408 8.371 0.037 19674 101 1 3 . 1 1 6 6 GLY N N 6 110.710 110.710 109.680 1.030 19674 102 1 3 . 1 1 6 6 GLY CA C 6 44.603 44.603 44.442 0.161 19674 103 1 3 . 1 1 6 6 GLY H H 6 8.227 8.227 8.293 -0.066 19674 104 1 3 . 1 1 7 7 PRO HA H 7 4.402 4.402 4.488 -0.086 19674 105 1 3 . 1 1 7 7 PRO CA C 7 63.244 63.244 62.600 0.644 19674 106 1 3 . 1 1 7 7 PRO CB C 7 32.212 32.212 32.361 -0.149 19674 107 1 3 . 1 1 8 8 ASN N N 8 120.140 120.140 116.293 3.847 19674 108 1 3 . 1 1 8 8 ASN HA H 8 4.923 4.923 4.466 0.457 19674 109 1 3 . 1 1 8 8 ASN CA C 8 51.392 51.392 53.281 -1.889 19674 110 1 3 . 1 1 8 8 ASN CB C 8 38.826 38.826 37.453 1.373 19674 111 1 3 . 1 1 8 8 ASN H H 8 8.538 8.538 8.574 -0.036 19674 112 1 3 . 1 1 9 9 PRO HA H 9 4.416 4.416 4.341 0.075 19674 113 1 3 . 1 1 9 9 PRO CB C 9 32.211 32.211 32.440 -0.229 19674 114 1 3 . 1 1 10 10 LEU N N 10 105.649 105.649 118.260 -12.611 19674 115 1 3 . 1 1 10 10 LEU HA H 10 4.425 4.425 4.143 0.282 19674 116 1 3 . 1 1 10 10 LEU CA C 10 55.175 55.175 56.849 -1.675 19674 117 1 3 . 1 1 10 10 LEU CB C 10 42.355 42.355 41.909 0.446 19674 118 1 3 . 1 1 10 10 LEU H H 10 8.696 8.696 8.408 0.288 19674 119 1 3 . 1 1 11 11 HIS N N 11 118.257 118.257 117.846 0.411 19674 120 1 3 . 1 1 11 11 HIS HA H 11 4.678 4.678 4.700 -0.022 19674 121 1 3 . 1 1 11 11 HIS CA C 11 54.573 54.573 55.333 -0.760 19674 122 1 3 . 1 1 11 11 HIS CB C 11 29.172 29.172 28.602 0.570 19674 123 1 3 . 1 1 11 11 HIS H H 11 8.213 8.213 8.289 -0.076 19674 124 1 4 . 1 1 2 2 LEU N N 2 120.848 120.848 123.726 -2.878 19674 125 1 4 . 1 1 2 2 LEU HA H 2 4.242 4.242 4.445 -0.203 19674 126 1 4 . 1 1 2 2 LEU CA C 2 55.178 55.178 55.570 -0.392 19674 127 1 4 . 1 1 2 2 LEU CB C 2 42.217 42.217 43.318 -1.101 19674 128 1 4 . 1 1 2 2 LEU H H 2 8.184 8.184 8.281 -0.097 19674 129 1 4 . 1 1 3 3 VAL N N 3 124.469 124.469 124.059 0.410 19674 130 1 4 . 1 1 3 3 VAL HA H 3 4.410 4.410 3.832 0.578 19674 131 1 4 . 1 1 3 3 VAL CA C 3 59.827 59.827 62.362 -2.535 19674 132 1 4 . 1 1 3 3 VAL CB C 3 32.719 32.719 31.801 0.918 19674 133 1 4 . 1 1 3 3 VAL H H 3 8.387 8.387 8.085 0.302 19674 134 1 4 . 1 1 4 4 PRO HA H 4 4.375 4.375 4.333 0.042 19674 135 1 4 . 1 1 4 4 PRO CA C 4 63.493 63.493 63.514 -0.021 19674 136 1 4 . 1 1 4 4 PRO CB C 4 32.186 32.186 30.690 1.496 19674 137 1 4 . 1 1 5 5 SER N N 5 116.475 116.475 119.292 -2.817 19674 138 1 4 . 1 1 5 5 SER HA H 5 4.449 4.449 4.518 -0.069 19674 139 1 4 . 1 1 5 5 SER CA C 5 58.367 58.367 58.610 -0.243 19674 140 1 4 . 1 1 5 5 SER CB C 5 64.128 64.128 64.366 -0.238 19674 141 1 4 . 1 1 5 5 SER H H 5 8.408 8.408 8.124 0.284 19674 142 1 4 . 1 1 6 6 GLY N N 6 110.710 110.710 112.737 -2.027 19674 143 1 4 . 1 1 6 6 GLY CA C 6 44.603 44.603 44.258 0.345 19674 144 1 4 . 1 1 6 6 GLY H H 6 8.227 8.227 8.235 -0.008 19674 145 1 4 . 1 1 7 7 PRO HA H 7 4.402 4.402 4.559 -0.157 19674 146 1 4 . 1 1 7 7 PRO CA C 7 63.244 63.244 62.590 0.654 19674 147 1 4 . 1 1 7 7 PRO CB C 7 32.212 32.212 32.408 -0.196 19674 148 1 4 . 1 1 8 8 ASN N N 8 120.140 120.140 117.476 2.664 19674 149 1 4 . 1 1 8 8 ASN HA H 8 4.923 4.923 4.551 0.372 19674 150 1 4 . 1 1 8 8 ASN CA C 8 51.392 51.392 53.334 -1.942 19674 151 1 4 . 1 1 8 8 ASN CB C 8 38.826 38.826 37.608 1.218 19674 152 1 4 . 1 1 8 8 ASN H H 8 8.538 8.538 8.629 -0.091 19674 153 1 4 . 1 1 9 9 PRO HA H 9 4.416 4.416 4.486 -0.070 19674 154 1 4 . 1 1 9 9 PRO CB C 9 32.211 32.211 32.978 -0.767 19674 155 1 4 . 1 1 10 10 LEU N N 10 105.649 105.649 119.625 -13.976 19674 156 1 4 . 1 1 10 10 LEU HA H 10 4.425 4.425 4.036 0.389 19674 157 1 4 . 1 1 10 10 LEU CA C 10 55.175 55.175 57.111 -1.937 19674 158 1 4 . 1 1 10 10 LEU CB C 10 42.355 42.355 42.502 -0.147 19674 159 1 4 . 1 1 10 10 LEU H H 10 8.696 8.696 8.574 0.122 19674 160 1 4 . 1 1 11 11 HIS N N 11 118.257 118.257 116.373 1.884 19674 161 1 4 . 1 1 11 11 HIS HA H 11 4.678 4.678 4.623 0.055 19674 162 1 4 . 1 1 11 11 HIS CA C 11 54.573 54.573 54.025 0.548 19674 163 1 4 . 1 1 11 11 HIS CB C 11 29.172 29.172 27.869 1.303 19674 164 1 4 . 1 1 11 11 HIS H H 11 8.213 8.213 8.263 -0.050 19674 165 1 5 . 1 1 2 2 LEU N N 2 120.848 120.848 124.324 -3.476 19674 166 1 5 . 1 1 2 2 LEU HA H 2 4.242 4.242 4.560 -0.318 19674 167 1 5 . 1 1 2 2 LEU CA C 2 55.178 55.178 55.484 -0.306 19674 168 1 5 . 1 1 2 2 LEU CB C 2 42.217 42.217 42.651 -0.434 19674 169 1 5 . 1 1 2 2 LEU H H 2 8.184 8.184 8.425 -0.241 19674 170 1 5 . 1 1 3 3 VAL N N 3 124.469 124.469 121.068 3.401 19674 171 1 5 . 1 1 3 3 VAL HA H 3 4.410 4.410 4.294 0.116 19674 172 1 5 . 1 1 3 3 VAL CA C 3 59.827 59.827 59.646 0.181 19674 173 1 5 . 1 1 3 3 VAL CB C 3 32.719 32.719 32.763 -0.044 19674 174 1 5 . 1 1 3 3 VAL H H 3 8.387 8.387 7.884 0.503 19674 175 1 5 . 1 1 4 4 PRO HA H 4 4.375 4.375 4.486 -0.111 19674 176 1 5 . 1 1 4 4 PRO CA C 4 63.493 63.493 63.119 0.374 19674 177 1 5 . 1 1 4 4 PRO CB C 4 32.186 32.186 31.539 0.647 19674 178 1 5 . 1 1 5 5 SER N N 5 116.475 116.475 120.544 -4.069 19674 179 1 5 . 1 1 5 5 SER HA H 5 4.449 4.449 4.584 -0.135 19674 180 1 5 . 1 1 5 5 SER CA C 5 58.367 58.367 57.033 1.333 19674 181 1 5 . 1 1 5 5 SER CB C 5 64.128 64.128 63.394 0.734 19674 182 1 5 . 1 1 5 5 SER H H 5 8.408 8.408 8.044 0.364 19674 183 1 5 . 1 1 6 6 GLY N N 6 110.710 110.710 114.402 -3.692 19674 184 1 5 . 1 1 6 6 GLY CA C 6 44.603 44.603 44.488 0.115 19674 185 1 5 . 1 1 6 6 GLY H H 6 8.227 8.227 8.085 0.142 19674 186 1 5 . 1 1 7 7 PRO HA H 7 4.402 4.402 4.366 0.036 19674 187 1 5 . 1 1 7 7 PRO CA C 7 63.244 63.244 62.911 0.333 19674 188 1 5 . 1 1 7 7 PRO CB C 7 32.212 32.212 31.800 0.412 19674 189 1 5 . 1 1 8 8 ASN N N 8 120.140 120.140 117.956 2.184 19674 190 1 5 . 1 1 8 8 ASN HA H 8 4.923 4.923 4.448 0.475 19674 191 1 5 . 1 1 8 8 ASN CA C 8 51.392 51.392 53.459 -2.067 19674 192 1 5 . 1 1 8 8 ASN CB C 8 38.826 38.826 36.610 2.216 19674 193 1 5 . 1 1 8 8 ASN H H 8 8.538 8.538 8.674 -0.136 19674 194 1 5 . 1 1 9 9 PRO HA H 9 4.416 4.416 4.220 0.196 19674 195 1 5 . 1 1 9 9 PRO CB C 9 32.211 32.211 31.967 0.244 19674 196 1 5 . 1 1 10 10 LEU N N 10 105.649 105.649 115.155 -9.506 19674 197 1 5 . 1 1 10 10 LEU HA H 10 4.425 4.425 4.500 -0.075 19674 198 1 5 . 1 1 10 10 LEU CA C 10 55.175 55.175 55.216 -0.041 19674 199 1 5 . 1 1 10 10 LEU CB C 10 42.355 42.355 43.231 -0.876 19674 200 1 5 . 1 1 10 10 LEU H H 10 8.696 8.696 7.809 0.887 19674 201 1 5 . 1 1 11 11 HIS N N 11 118.257 118.257 116.827 1.430 19674 202 1 5 . 1 1 11 11 HIS HA H 11 4.678 4.678 4.590 0.088 19674 203 1 5 . 1 1 11 11 HIS CA C 11 54.573 54.573 56.082 -1.509 19674 204 1 5 . 1 1 11 11 HIS CB C 11 29.172 29.172 32.075 -2.903 19674 205 1 5 . 1 1 11 11 HIS H H 11 8.213 8.213 7.845 0.368 19674 206 1 6 . 1 1 2 2 LEU N N 2 120.848 120.848 125.734 -4.886 19674 207 1 6 . 1 1 2 2 LEU HA H 2 4.242 4.242 4.453 -0.211 19674 208 1 6 . 1 1 2 2 LEU CA C 2 55.178 55.178 56.780 -1.602 19674 209 1 6 . 1 1 2 2 LEU CB C 2 42.217 42.217 42.441 -0.224 19674 210 1 6 . 1 1 2 2 LEU H H 2 8.184 8.184 8.373 -0.189 19674 211 1 6 . 1 1 3 3 VAL N N 3 124.469 124.469 116.364 8.105 19674 212 1 6 . 1 1 3 3 VAL HA H 3 4.410 4.410 4.504 -0.094 19674 213 1 6 . 1 1 3 3 VAL CA C 3 59.827 59.827 58.411 1.416 19674 214 1 6 . 1 1 3 3 VAL CB C 3 32.719 32.719 32.313 0.406 19674 215 1 6 . 1 1 3 3 VAL H H 3 8.387 8.387 7.845 0.542 19674 216 1 6 . 1 1 4 4 PRO HA H 4 4.375 4.375 4.587 -0.212 19674 217 1 6 . 1 1 4 4 PRO CA C 4 63.493 63.493 62.796 0.697 19674 218 1 6 . 1 1 4 4 PRO CB C 4 32.186 32.186 31.186 1.000 19674 219 1 6 . 1 1 5 5 SER N N 5 116.475 116.475 120.514 -4.039 19674 220 1 6 . 1 1 5 5 SER HA H 5 4.449 4.449 4.590 -0.141 19674 221 1 6 . 1 1 5 5 SER CA C 5 58.367 58.367 57.431 0.936 19674 222 1 6 . 1 1 5 5 SER CB C 5 64.128 64.128 63.187 0.941 19674 223 1 6 . 1 1 5 5 SER H H 5 8.408 8.408 8.067 0.341 19674 224 1 6 . 1 1 6 6 GLY N N 6 110.710 110.710 113.447 -2.737 19674 225 1 6 . 1 1 6 6 GLY CA C 6 44.603 44.603 44.350 0.253 19674 226 1 6 . 1 1 6 6 GLY H H 6 8.227 8.227 7.994 0.233 19674 227 1 6 . 1 1 7 7 PRO HA H 7 4.402 4.402 4.409 -0.007 19674 228 1 6 . 1 1 7 7 PRO CA C 7 63.244 63.244 62.570 0.674 19674 229 1 6 . 1 1 7 7 PRO CB C 7 32.212 32.212 31.966 0.246 19674 230 1 6 . 1 1 8 8 ASN N N 8 120.140 120.140 116.417 3.723 19674 231 1 6 . 1 1 8 8 ASN HA H 8 4.923 4.923 4.501 0.422 19674 232 1 6 . 1 1 8 8 ASN CA C 8 51.392 51.392 53.519 -2.127 19674 233 1 6 . 1 1 8 8 ASN CB C 8 38.826 38.826 36.449 2.377 19674 234 1 6 . 1 1 8 8 ASN H H 8 8.538 8.538 8.709 -0.171 19674 235 1 6 . 1 1 9 9 PRO HA H 9 4.416 4.416 4.333 0.083 19674 236 1 6 . 1 1 9 9 PRO CB C 9 32.211 32.211 32.197 0.014 19674 237 1 6 . 1 1 10 10 LEU N N 10 105.649 105.649 114.660 -9.011 19674 238 1 6 . 1 1 10 10 LEU HA H 10 4.425 4.425 4.513 -0.088 19674 239 1 6 . 1 1 10 10 LEU CA C 10 55.175 55.175 54.538 0.637 19674 240 1 6 . 1 1 10 10 LEU CB C 10 42.355 42.355 41.996 0.359 19674 241 1 6 . 1 1 10 10 LEU H H 10 8.696 8.696 7.739 0.957 19674 242 1 6 . 1 1 11 11 HIS N N 11 118.257 118.257 117.892 0.365 19674 243 1 6 . 1 1 11 11 HIS HA H 11 4.678 4.678 4.712 -0.034 19674 244 1 6 . 1 1 11 11 HIS CA C 11 54.573 54.573 55.223 -0.650 19674 245 1 6 . 1 1 11 11 HIS CB C 11 29.172 29.172 29.577 -0.405 19674 246 1 6 . 1 1 11 11 HIS H H 11 8.213 8.213 7.965 0.248 19674 247 1 7 . 1 1 2 2 LEU N N 2 120.848 120.848 122.947 -2.099 19674 248 1 7 . 1 1 2 2 LEU HA H 2 4.242 4.242 4.573 -0.331 19674 249 1 7 . 1 1 2 2 LEU CA C 2 55.178 55.178 54.545 0.633 19674 250 1 7 . 1 1 2 2 LEU CB C 2 42.217 42.217 41.952 0.265 19674 251 1 7 . 1 1 2 2 LEU H H 2 8.184 8.184 7.914 0.270 19674 252 1 7 . 1 1 3 3 VAL N N 3 124.469 124.469 122.713 1.756 19674 253 1 7 . 1 1 3 3 VAL HA H 3 4.410 4.410 3.902 0.508 19674 254 1 7 . 1 1 3 3 VAL CA C 3 59.827 59.827 62.142 -2.316 19674 255 1 7 . 1 1 3 3 VAL CB C 3 32.719 32.719 32.010 0.709 19674 256 1 7 . 1 1 3 3 VAL H H 3 8.387 8.387 8.311 0.076 19674 257 1 7 . 1 1 4 4 PRO HA H 4 4.375 4.375 4.433 -0.058 19674 258 1 7 . 1 1 4 4 PRO CA C 4 63.493 63.493 63.793 -0.300 19674 259 1 7 . 1 1 4 4 PRO CB C 4 32.186 32.186 31.615 0.571 19674 260 1 7 . 1 1 5 5 SER N N 5 116.475 116.475 119.510 -3.035 19674 261 1 7 . 1 1 5 5 SER HA H 5 4.449 4.449 4.628 -0.179 19674 262 1 7 . 1 1 5 5 SER CA C 5 58.367 58.367 57.819 0.548 19674 263 1 7 . 1 1 5 5 SER CB C 5 64.128 64.128 65.624 -1.496 19674 264 1 7 . 1 1 5 5 SER H H 5 8.408 8.408 8.016 0.392 19674 265 1 7 . 1 1 6 6 GLY N N 6 110.710 110.710 110.951 -0.241 19674 266 1 7 . 1 1 6 6 GLY CA C 6 44.603 44.603 44.413 0.190 19674 267 1 7 . 1 1 6 6 GLY H H 6 8.227 8.227 8.205 0.022 19674 268 1 7 . 1 1 7 7 PRO HA H 7 4.402 4.402 4.485 -0.083 19674 269 1 7 . 1 1 7 7 PRO CA C 7 63.244 63.244 62.529 0.715 19674 270 1 7 . 1 1 7 7 PRO CB C 7 32.212 32.212 32.417 -0.205 19674 271 1 7 . 1 1 8 8 ASN N N 8 120.140 120.140 116.290 3.850 19674 272 1 7 . 1 1 8 8 ASN HA H 8 4.923 4.923 4.475 0.448 19674 273 1 7 . 1 1 8 8 ASN CA C 8 51.392 51.392 52.936 -1.544 19674 274 1 7 . 1 1 8 8 ASN CB C 8 38.826 38.826 37.718 1.107 19674 275 1 7 . 1 1 8 8 ASN H H 8 8.538 8.538 8.553 -0.015 19674 276 1 7 . 1 1 9 9 PRO HA H 9 4.416 4.416 4.407 0.009 19674 277 1 7 . 1 1 9 9 PRO CB C 9 32.211 32.211 32.369 -0.158 19674 278 1 7 . 1 1 10 10 LEU N N 10 105.649 105.649 117.595 -11.946 19674 279 1 7 . 1 1 10 10 LEU HA H 10 4.425 4.425 4.122 0.303 19674 280 1 7 . 1 1 10 10 LEU CA C 10 55.175 55.175 57.453 -2.279 19674 281 1 7 . 1 1 10 10 LEU CB C 10 42.355 42.355 41.928 0.427 19674 282 1 7 . 1 1 10 10 LEU H H 10 8.696 8.696 8.052 0.644 19674 283 1 7 . 1 1 11 11 HIS N N 11 118.257 118.257 117.558 0.699 19674 284 1 7 . 1 1 11 11 HIS HA H 11 4.678 4.678 4.730 -0.052 19674 285 1 7 . 1 1 11 11 HIS CA C 11 54.573 54.573 55.799 -1.226 19674 286 1 7 . 1 1 11 11 HIS CB C 11 29.172 29.172 27.819 1.353 19674 287 1 7 . 1 1 11 11 HIS H H 11 8.213 8.213 8.392 -0.179 19674 288 1 8 . 1 1 2 2 LEU N N 2 120.848 120.848 125.769 -4.921 19674 289 1 8 . 1 1 2 2 LEU HA H 2 4.242 4.242 4.425 -0.183 19674 290 1 8 . 1 1 2 2 LEU CA C 2 55.178 55.178 56.895 -1.717 19674 291 1 8 . 1 1 2 2 LEU CB C 2 42.217 42.217 42.395 -0.178 19674 292 1 8 . 1 1 2 2 LEU H H 2 8.184 8.184 8.206 -0.022 19674 293 1 8 . 1 1 3 3 VAL N N 3 124.469 124.469 120.023 4.446 19674 294 1 8 . 1 1 3 3 VAL HA H 3 4.410 4.410 4.427 -0.017 19674 295 1 8 . 1 1 3 3 VAL CA C 3 59.827 59.827 58.943 0.884 19674 296 1 8 . 1 1 3 3 VAL CB C 3 32.719 32.719 33.282 -0.563 19674 297 1 8 . 1 1 3 3 VAL H H 3 8.387 8.387 7.509 0.878 19674 298 1 8 . 1 1 4 4 PRO HA H 4 4.375 4.375 4.624 -0.249 19674 299 1 8 . 1 1 4 4 PRO CA C 4 63.493 63.493 62.850 0.643 19674 300 1 8 . 1 1 4 4 PRO CB C 4 32.186 32.186 30.527 1.659 19674 301 1 8 . 1 1 5 5 SER N N 5 116.475 116.475 119.407 -2.932 19674 302 1 8 . 1 1 5 5 SER HA H 5 4.449 4.449 4.448 0.001 19674 303 1 8 . 1 1 5 5 SER CA C 5 58.367 58.367 56.893 1.474 19674 304 1 8 . 1 1 5 5 SER CB C 5 64.128 64.128 61.958 2.170 19674 305 1 8 . 1 1 5 5 SER H H 5 8.408 8.408 8.051 0.357 19674 306 1 8 . 1 1 6 6 GLY N N 6 110.710 110.710 111.257 -0.547 19674 307 1 8 . 1 1 6 6 GLY CA C 6 44.603 44.603 44.590 0.013 19674 308 1 8 . 1 1 6 6 GLY H H 6 8.227 8.227 7.676 0.551 19674 309 1 8 . 1 1 7 7 PRO HA H 7 4.402 4.402 4.571 -0.169 19674 310 1 8 . 1 1 7 7 PRO CA C 7 63.244 63.244 62.509 0.735 19674 311 1 8 . 1 1 7 7 PRO CB C 7 32.212 32.212 32.294 -0.082 19674 312 1 8 . 1 1 8 8 ASN N N 8 120.140 120.140 117.226 2.914 19674 313 1 8 . 1 1 8 8 ASN HA H 8 4.923 4.923 4.458 0.465 19674 314 1 8 . 1 1 8 8 ASN CA C 8 51.392 51.392 53.112 -1.720 19674 315 1 8 . 1 1 8 8 ASN CB C 8 38.826 38.826 38.138 0.688 19674 316 1 8 . 1 1 8 8 ASN H H 8 8.538 8.538 8.832 -0.294 19674 317 1 8 . 1 1 9 9 PRO HA H 9 4.416 4.416 4.371 0.045 19674 318 1 8 . 1 1 9 9 PRO CB C 9 32.211 32.211 32.255 -0.044 19674 319 1 8 . 1 1 10 10 LEU N N 10 105.649 105.649 115.196 -9.547 19674 320 1 8 . 1 1 10 10 LEU HA H 10 4.425 4.425 4.612 -0.187 19674 321 1 8 . 1 1 10 10 LEU CA C 10 55.175 55.175 55.284 -0.109 19674 322 1 8 . 1 1 10 10 LEU CB C 10 42.355 42.355 41.727 0.628 19674 323 1 8 . 1 1 10 10 LEU H H 10 8.696 8.696 7.867 0.829 19674 324 1 8 . 1 1 11 11 HIS N N 11 118.257 118.257 117.235 1.022 19674 325 1 8 . 1 1 11 11 HIS HA H 11 4.678 4.678 4.617 0.061 19674 326 1 8 . 1 1 11 11 HIS CA C 11 54.573 54.573 55.995 -1.422 19674 327 1 8 . 1 1 11 11 HIS CB C 11 29.172 29.172 30.972 -1.800 19674 328 1 8 . 1 1 11 11 HIS H H 11 8.213 8.213 8.093 0.120 19674 329 1 9 . 1 1 2 2 LEU N N 2 120.848 120.848 121.358 -0.510 19674 330 1 9 . 1 1 2 2 LEU HA H 2 4.242 4.242 4.367 -0.125 19674 331 1 9 . 1 1 2 2 LEU CA C 2 55.178 55.178 56.506 -1.328 19674 332 1 9 . 1 1 2 2 LEU CB C 2 42.217 42.217 42.260 -0.043 19674 333 1 9 . 1 1 2 2 LEU H H 2 8.184 8.184 8.242 -0.058 19674 334 1 9 . 1 1 3 3 VAL N N 3 124.469 124.469 118.949 5.520 19674 335 1 9 . 1 1 3 3 VAL HA H 3 4.410 4.410 4.432 -0.022 19674 336 1 9 . 1 1 3 3 VAL CA C 3 59.827 59.827 59.513 0.314 19674 337 1 9 . 1 1 3 3 VAL CB C 3 32.719 32.719 32.267 0.452 19674 338 1 9 . 1 1 3 3 VAL H H 3 8.387 8.387 7.707 0.680 19674 339 1 9 . 1 1 4 4 PRO HA H 4 4.375 4.375 4.546 -0.171 19674 340 1 9 . 1 1 4 4 PRO CA C 4 63.493 63.493 62.965 0.528 19674 341 1 9 . 1 1 4 4 PRO CB C 4 32.186 32.186 30.319 1.867 19674 342 1 9 . 1 1 5 5 SER N N 5 116.475 116.475 117.695 -1.220 19674 343 1 9 . 1 1 5 5 SER HA H 5 4.449 4.449 4.635 -0.186 19674 344 1 9 . 1 1 5 5 SER CA C 5 58.367 58.367 57.887 0.480 19674 345 1 9 . 1 1 5 5 SER CB C 5 64.128 64.128 65.648 -1.520 19674 346 1 9 . 1 1 5 5 SER H H 5 8.408 8.408 8.071 0.337 19674 347 1 9 . 1 1 6 6 GLY N N 6 110.710 110.710 112.235 -1.525 19674 348 1 9 . 1 1 6 6 GLY CA C 6 44.603 44.603 44.236 0.367 19674 349 1 9 . 1 1 6 6 GLY H H 6 8.227 8.227 8.551 -0.324 19674 350 1 9 . 1 1 7 7 PRO HA H 7 4.402 4.402 4.383 0.019 19674 351 1 9 . 1 1 7 7 PRO CA C 7 63.244 63.244 62.939 0.305 19674 352 1 9 . 1 1 7 7 PRO CB C 7 32.212 32.212 31.826 0.386 19674 353 1 9 . 1 1 8 8 ASN N N 8 120.140 120.140 120.042 0.098 19674 354 1 9 . 1 1 8 8 ASN HA H 8 4.923 4.923 4.494 0.429 19674 355 1 9 . 1 1 8 8 ASN CA C 8 51.392 51.392 53.224 -1.832 19674 356 1 9 . 1 1 8 8 ASN CB C 8 38.826 38.826 36.937 1.889 19674 357 1 9 . 1 1 8 8 ASN H H 8 8.538 8.538 8.712 -0.174 19674 358 1 9 . 1 1 9 9 PRO HA H 9 4.416 4.416 4.392 0.024 19674 359 1 9 . 1 1 9 9 PRO CB C 9 32.211 32.211 31.773 0.438 19674 360 1 9 . 1 1 10 10 LEU N N 10 105.649 105.649 114.831 -9.182 19674 361 1 9 . 1 1 10 10 LEU HA H 10 4.425 4.425 4.537 -0.113 19674 362 1 9 . 1 1 10 10 LEU CA C 10 55.175 55.175 54.553 0.622 19674 363 1 9 . 1 1 10 10 LEU CB C 10 42.355 42.355 41.857 0.498 19674 364 1 9 . 1 1 10 10 LEU H H 10 8.696 8.696 7.963 0.733 19674 365 1 9 . 1 1 11 11 HIS N N 11 118.257 118.257 119.902 -1.645 19674 366 1 9 . 1 1 11 11 HIS HA H 11 4.678 4.678 4.493 0.185 19674 367 1 9 . 1 1 11 11 HIS CA C 11 54.573 54.573 57.885 -3.312 19674 368 1 9 . 1 1 11 11 HIS CB C 11 29.172 29.172 30.844 -1.672 19674 369 1 9 . 1 1 11 11 HIS H H 11 8.213 8.213 7.995 0.218 19674 370 1 10 . 1 1 2 2 LEU N N 2 120.848 120.848 123.568 -2.720 19674 371 1 10 . 1 1 2 2 LEU HA H 2 4.242 4.242 4.418 -0.176 19674 372 1 10 . 1 1 2 2 LEU CA C 2 55.178 55.178 54.350 0.828 19674 373 1 10 . 1 1 2 2 LEU CB C 2 42.217 42.217 40.115 2.102 19674 374 1 10 . 1 1 2 2 LEU H H 2 8.184 8.184 8.195 -0.011 19674 375 1 10 . 1 1 3 3 VAL N N 3 124.469 124.469 122.364 2.105 19674 376 1 10 . 1 1 3 3 VAL HA H 3 4.410 4.410 3.859 0.551 19674 377 1 10 . 1 1 3 3 VAL CA C 3 59.827 59.827 62.638 -2.811 19674 378 1 10 . 1 1 3 3 VAL CB C 3 32.719 32.719 31.229 1.490 19674 379 1 10 . 1 1 3 3 VAL H H 3 8.387 8.387 8.108 0.279 19674 380 1 10 . 1 1 4 4 PRO HA H 4 4.375 4.375 4.571 -0.196 19674 381 1 10 . 1 1 4 4 PRO CA C 4 63.493 63.493 63.053 0.440 19674 382 1 10 . 1 1 4 4 PRO CB C 4 32.186 32.186 32.169 0.017 19674 383 1 10 . 1 1 5 5 SER N N 5 116.475 116.475 113.187 3.288 19674 384 1 10 . 1 1 5 5 SER HA H 5 4.449 4.449 4.351 0.098 19674 385 1 10 . 1 1 5 5 SER CA C 5 58.367 58.367 58.354 0.013 19674 386 1 10 . 1 1 5 5 SER CB C 5 64.128 64.128 62.917 1.211 19674 387 1 10 . 1 1 5 5 SER H H 5 8.408 8.408 8.075 0.333 19674 388 1 10 . 1 1 6 6 GLY N N 6 110.710 110.710 110.000 0.710 19674 389 1 10 . 1 1 6 6 GLY CA C 6 44.603 44.603 44.110 0.493 19674 390 1 10 . 1 1 6 6 GLY H H 6 8.227 8.227 7.995 0.232 19674 391 1 10 . 1 1 7 7 PRO HA H 7 4.402 4.402 4.491 -0.089 19674 392 1 10 . 1 1 7 7 PRO CA C 7 63.244 63.244 62.440 0.804 19674 393 1 10 . 1 1 7 7 PRO CB C 7 32.212 32.212 32.443 -0.231 19674 394 1 10 . 1 1 8 8 ASN N N 8 120.140 120.140 112.054 8.086 19674 395 1 10 . 1 1 8 8 ASN HA H 8 4.923 4.923 4.383 0.540 19674 396 1 10 . 1 1 8 8 ASN CA C 8 51.392 51.392 53.306 -1.914 19674 397 1 10 . 1 1 8 8 ASN CB C 8 38.826 38.826 36.422 2.405 19674 398 1 10 . 1 1 8 8 ASN H H 8 8.538 8.538 8.434 0.104 19674 399 1 10 . 1 1 9 9 PRO HA H 9 4.416 4.416 4.326 0.090 19674 400 1 10 . 1 1 9 9 PRO CB C 9 32.211 32.211 31.686 0.525 19674 401 1 10 . 1 1 10 10 LEU N N 10 105.649 105.649 121.533 -15.884 19674 402 1 10 . 1 1 10 10 LEU HA H 10 4.425 4.425 3.865 0.560 19674 403 1 10 . 1 1 10 10 LEU CA C 10 55.175 55.175 57.213 -2.038 19674 404 1 10 . 1 1 10 10 LEU CB C 10 42.355 42.355 40.970 1.385 19674 405 1 10 . 1 1 10 10 LEU H H 10 8.696 8.696 8.548 0.148 19674 406 1 10 . 1 1 11 11 HIS N N 11 118.257 118.257 116.506 1.751 19674 407 1 10 . 1 1 11 11 HIS HA H 11 4.678 4.678 4.866 -0.188 19674 408 1 10 . 1 1 11 11 HIS CA C 11 54.573 54.573 54.724 -0.151 19674 409 1 10 . 1 1 11 11 HIS CB C 11 29.172 29.172 31.849 -2.677 19674 410 1 10 . 1 1 11 11 HIS H H 11 8.213 8.213 8.114 0.099 19674 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 7 8.710 0.431 9.396 19674 2 1 1 "Average Difference" HA 11 0.317 -0.059 0.326 19674 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19674 4 1 1 "Average Difference" CA 9 1.460 0.645 1.390 19674 5 1 1 "Average Difference" CB 9 1.564 -0.038 1.659 19674 6 1 1 "Average Difference" HN 7 0.360 -0.151 0.353 19674 7 1 2 "Average Difference" N 7 5.460 0.397 5.882 19674 8 1 2 "Average Difference" HA 11 0.323 -0.112 0.318 19674 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19674 10 1 2 "Average Difference" CA 9 1.277 0.484 1.254 19674 11 1 2 "Average Difference" CB 9 1.493 -0.474 1.502 19674 12 1 2 "Average Difference" HN 7 0.367 -0.043 0.394 19674 13 1 3 "Average Difference" N 7 5.285 0.911 5.623 19674 14 1 3 "Average Difference" HA 11 0.295 -0.121 0.282 19674 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19674 16 1 3 "Average Difference" CA 9 1.109 0.466 1.067 19674 17 1 3 "Average Difference" CB 9 1.102 -0.078 1.166 19674 18 1 3 "Average Difference" HN 7 0.117 -0.019 0.125 19674 19 1 4 "Average Difference" N 7 5.688 2.391 5.574 19674 20 1 4 "Average Difference" HA 11 0.291 -0.146 0.264 19674 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19674 22 1 4 "Average Difference" CA 9 1.291 0.614 1.205 19674 23 1 4 "Average Difference" CB 9 0.953 -0.276 0.968 19674 24 1 4 "Average Difference" HN 7 0.172 -0.066 0.172 19674 25 1 5 "Average Difference" N 7 4.645 1.961 4.548 19674 26 1 5 "Average Difference" HA 11 0.267 -0.101 0.259 19674 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19674 28 1 5 "Average Difference" CA 9 0.984 0.176 1.027 19674 29 1 5 "Average Difference" CB 9 1.311 0.000 1.391 19674 30 1 5 "Average Difference" HN 7 0.448 -0.270 0.386 19674 31 1 6 "Average Difference" N 7 5.458 1.211 5.749 19674 32 1 6 "Average Difference" HA 11 0.274 -0.066 0.279 19674 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19674 34 1 6 "Average Difference" CA 9 1.145 -0.026 1.214 19674 35 1 6 "Average Difference" CB 9 0.949 -0.524 0.839 19674 36 1 6 "Average Difference" HN 7 0.464 -0.280 0.399 19674 37 1 7 "Average Difference" N 7 4.997 1.574 5.123 19674 38 1 7 "Average Difference" HA 11 0.292 -0.113 0.282 19674 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19674 40 1 7 "Average Difference" CA 9 1.324 0.620 1.241 19674 41 1 7 "Average Difference" CB 9 0.846 -0.286 0.845 19674 42 1 7 "Average Difference" HN 7 0.312 -0.173 0.280 19674 43 1 8 "Average Difference" N 7 4.684 1.366 4.839 19674 44 1 8 "Average Difference" HA 11 0.287 -0.072 0.291 19674 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19674 46 1 8 "Average Difference" CA 9 1.147 0.135 1.208 19674 47 1 8 "Average Difference" CB 9 1.151 -0.275 1.186 19674 48 1 8 "Average Difference" HN 7 0.533 -0.346 0.438 19674 49 1 9 "Average Difference" N 7 4.167 1.209 4.308 19674 50 1 9 "Average Difference" HA 11 0.254 -0.085 0.252 19674 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19674 52 1 9 "Average Difference" CA 9 1.387 0.428 1.399 19674 53 1 9 "Average Difference" CB 9 1.200 -0.255 1.243 19674 54 1 9 "Average Difference" HN 7 0.431 -0.202 0.411 19674 55 1 10 "Average Difference" N 7 7.009 0.381 7.560 19674 56 1 10 "Average Difference" HA 11 0.316 -0.078 0.321 19674 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19674 58 1 10 "Average Difference" CA 9 1.395 0.482 1.388 19674 59 1 10 "Average Difference" CB 9 1.609 -0.692 1.541 19674 60 1 10 "Average Difference" HN 7 0.202 -0.169 0.119 19674 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 19674 _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 LEU N N 2 120.848 120.848 122.708 -1.860 19674 2 1 . 1 1 2 2 LEU HA H 2 4.242 4.242 4.450 -0.209 19674 3 1 . 1 1 2 2 LEU CA C 2 55.178 55.178 55.824 -0.646 19674 4 1 . 1 1 2 2 LEU CB C 2 42.217 42.217 42.539 -0.322 19674 5 1 . 1 1 2 2 LEU H H 2 8.184 8.184 8.289 -0.105 19674 6 1 . 1 1 3 3 VAL N N 3 124.469 124.469 119.943 4.526 19674 7 1 . 1 1 3 3 VAL HA H 3 4.410 4.410 4.241 0.169 19674 8 1 . 1 1 3 3 VAL CA C 3 59.827 59.827 60.254 -0.427 19674 9 1 . 1 1 3 3 VAL CB C 3 32.719 32.719 32.589 0.130 19674 10 1 . 1 1 3 3 VAL H H 3 8.387 8.387 7.893 0.494 19674 11 1 . 1 1 4 4 PRO HA H 4 4.375 4.375 4.537 -0.162 19674 12 1 . 1 1 4 4 PRO CA C 4 63.493 63.493 63.224 0.269 19674 13 1 . 1 1 4 4 PRO CB C 4 32.186 32.186 30.900 1.286 19674 14 1 . 1 1 5 5 SER N N 5 116.475 116.475 118.078 -1.603 19674 15 1 . 1 1 5 5 SER HA H 5 4.449 4.449 4.544 -0.095 19674 16 1 . 1 1 5 5 SER CA C 5 58.367 58.367 57.736 0.630 19674 17 1 . 1 1 5 5 SER CB C 5 64.128 64.128 64.301 -0.173 19674 18 1 . 1 1 5 5 SER H H 5 8.408 8.408 8.140 0.268 19674 19 1 . 1 1 6 6 GLY N N 6 110.710 110.710 111.536 -0.826 19674 20 1 . 1 1 6 6 GLY CA C 6 44.603 44.603 44.402 0.201 19674 21 1 . 1 1 6 6 GLY H H 6 8.227 8.227 8.157 0.070 19674 22 1 . 1 1 7 7 PRO HA H 7 4.402 4.402 4.455 -0.053 19674 23 1 . 1 1 7 7 PRO CA C 7 63.244 63.244 62.677 0.567 19674 24 1 . 1 1 7 7 PRO CB C 7 32.212 32.212 32.227 -0.015 19674 25 1 . 1 1 8 8 ASN N N 8 120.140 120.140 116.685 3.455 19674 26 1 . 1 1 8 8 ASN HA H 8 4.923 4.923 4.492 0.431 19674 27 1 . 1 1 8 8 ASN CA C 8 51.392 51.392 53.275 -1.883 19674 28 1 . 1 1 8 8 ASN CB C 8 38.826 38.826 37.207 1.619 19674 29 1 . 1 1 8 8 ASN H H 8 8.538 8.538 8.637 -0.099 19674 30 1 . 1 1 9 9 PRO HA H 9 4.416 4.416 4.409 0.007 19674 31 1 . 1 1 9 9 PRO CB C 9 32.211 32.211 31.989 0.222 19674 32 1 . 1 1 10 10 LEU N N 10 105.649 105.649 118.030 -12.381 19674 33 1 . 1 1 10 10 LEU HA H 10 4.425 4.425 4.198 0.227 19674 34 1 . 1 1 10 10 LEU CA C 10 55.175 55.175 56.388 -1.213 19674 35 1 . 1 1 10 10 LEU CB C 10 42.355 42.355 41.756 0.599 19674 36 1 . 1 1 10 10 LEU H H 10 8.696 8.696 8.211 0.484 19674 37 1 . 1 1 11 11 HIS N N 11 118.257 118.257 117.852 0.405 19674 38 1 . 1 1 11 11 HIS HA H 11 4.678 4.678 4.644 0.034 19674 39 1 . 1 1 11 11 HIS CA C 11 54.573 54.573 55.693 -1.120 19674 40 1 . 1 1 11 11 HIS CB C 11 29.172 29.172 29.911 -0.739 19674 41 1 . 1 1 11 11 HIS H H 11 8.213 8.213 8.124 0.089 19674 stop_ save_