data_19595 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19595 _Entry.PDB_ID 2MGO 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 19595 _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 TYR HA H 2 4.776 4.776 4.775 0.001 19595 2 1 1 . 1 1 2 2 TYR CB C 2 38.843 38.843 39.881 -1.038 19595 3 1 1 . 1 1 2 2 TYR H H 2 8.991 8.991 8.413 0.578 19595 4 1 1 . 1 1 3 3 ILE HA H 3 4.041 4.041 3.577 0.464 19595 5 1 1 . 1 1 3 3 ILE CA C 3 62.672 62.672 63.927 -1.255 19595 6 1 1 . 1 1 3 3 ILE CB C 3 38.706 38.706 37.657 1.049 19595 7 1 1 . 1 1 3 3 ILE H H 3 7.960 7.960 7.586 0.374 19595 8 1 1 . 1 1 4 4 GLN HA H 4 4.110 4.110 4.399 -0.289 19595 9 1 1 . 1 1 4 4 GLN CA C 4 57.854 57.854 55.564 2.290 19595 10 1 1 . 1 1 4 4 GLN CB C 4 28.542 28.542 28.731 -0.189 19595 11 1 1 . 1 1 4 4 GLN H H 4 8.229 8.229 7.657 0.572 19595 12 1 1 . 1 1 5 5 ASN HA H 5 4.728 4.728 4.805 -0.077 19595 13 1 1 . 1 1 5 5 ASN CA C 5 53.112 53.112 54.236 -1.125 19595 14 1 1 . 1 1 5 5 ASN CB C 5 38.460 38.460 41.083 -2.623 19595 15 1 1 . 1 1 5 5 ASN H H 5 8.339 8.339 8.218 0.121 19595 16 1 1 . 1 1 6 6 CYS HA H 6 4.870 4.870 4.860 0.010 19595 17 1 1 . 1 1 6 6 CYS CA C 6 54.068 54.068 55.571 -1.503 19595 18 1 1 . 1 1 6 6 CYS CB C 6 40.983 40.983 28.017 12.966 19595 19 1 1 . 1 1 6 6 CYS H H 6 8.218 8.218 8.436 -0.218 19595 20 1 1 . 1 1 7 7 PRO HA H 7 4.443 4.443 4.473 -0.030 19595 21 1 1 . 1 1 7 7 PRO CA C 7 63.324 63.324 63.699 -0.375 19595 22 1 1 . 1 1 7 7 PRO CB C 7 32.010 32.010 31.933 0.077 19595 23 1 1 . 1 1 8 8 LEU HA H 8 4.303 4.303 4.474 -0.171 19595 24 1 1 . 1 1 8 8 LEU CA C 8 55.409 55.409 54.833 0.576 19595 25 1 1 . 1 1 8 8 LEU CB C 8 42.037 42.037 42.214 -0.177 19595 26 1 1 . 1 1 8 8 LEU H H 8 8.488 8.488 8.542 -0.054 19595 27 1 2 . 1 1 2 2 TYR HA H 2 4.776 4.776 4.862 -0.086 19595 28 1 2 . 1 1 2 2 TYR CB C 2 38.843 38.843 38.706 0.136 19595 29 1 2 . 1 1 2 2 TYR H H 2 8.991 8.991 8.648 0.343 19595 30 1 2 . 1 1 3 3 ILE HA H 3 4.041 4.041 4.440 -0.399 19595 31 1 2 . 1 1 3 3 ILE CA C 3 62.672 62.672 59.184 3.488 19595 32 1 2 . 1 1 3 3 ILE CB C 3 38.706 38.706 40.519 -1.813 19595 33 1 2 . 1 1 3 3 ILE H H 3 7.960 7.960 7.668 0.292 19595 34 1 2 . 1 1 4 4 GLN HA H 4 4.110 4.110 4.243 -0.133 19595 35 1 2 . 1 1 4 4 GLN CA C 4 57.854 57.854 56.920 0.934 19595 36 1 2 . 1 1 4 4 GLN CB C 4 28.542 28.542 28.546 -0.004 19595 37 1 2 . 1 1 4 4 GLN H H 4 8.229 8.229 8.737 -0.508 19595 38 1 2 . 1 1 5 5 ASN HA H 5 4.728 4.728 4.701 0.027 19595 39 1 2 . 1 1 5 5 ASN CA C 5 53.112 53.112 53.168 -0.056 19595 40 1 2 . 1 1 5 5 ASN CB C 5 38.460 38.460 38.065 0.395 19595 41 1 2 . 1 1 5 5 ASN H H 5 8.339 8.339 8.084 0.255 19595 42 1 2 . 1 1 6 6 CYS HA H 6 4.870 4.870 4.614 0.256 19595 43 1 2 . 1 1 6 6 CYS CA C 6 54.068 54.068 56.985 -2.917 19595 44 1 2 . 1 1 6 6 CYS CB C 6 40.983 40.983 26.931 14.052 19595 45 1 2 . 1 1 6 6 CYS H H 6 8.218 8.218 7.534 0.684 19595 46 1 2 . 1 1 7 7 PRO HA H 7 4.443 4.443 4.499 -0.056 19595 47 1 2 . 1 1 7 7 PRO CA C 7 63.324 63.324 62.903 0.421 19595 48 1 2 . 1 1 7 7 PRO CB C 7 32.010 32.010 32.366 -0.356 19595 49 1 2 . 1 1 8 8 LEU HA H 8 4.303 4.303 4.528 -0.225 19595 50 1 2 . 1 1 8 8 LEU CA C 8 55.409 55.409 55.723 -0.314 19595 51 1 2 . 1 1 8 8 LEU CB C 8 42.037 42.037 42.182 -0.145 19595 52 1 2 . 1 1 8 8 LEU H H 8 8.488 8.488 8.707 -0.220 19595 53 1 3 . 1 1 2 2 TYR HA H 2 4.776 4.776 4.791 -0.015 19595 54 1 3 . 1 1 2 2 TYR CB C 2 38.843 38.843 38.230 0.613 19595 55 1 3 . 1 1 2 2 TYR H H 2 8.991 8.991 8.383 0.608 19595 56 1 3 . 1 1 3 3 ILE HA H 3 4.041 4.041 4.454 -0.413 19595 57 1 3 . 1 1 3 3 ILE CA C 3 62.672 62.672 59.387 3.285 19595 58 1 3 . 1 1 3 3 ILE CB C 3 38.706 38.706 41.099 -2.393 19595 59 1 3 . 1 1 3 3 ILE H H 3 7.960 7.960 7.124 0.836 19595 60 1 3 . 1 1 4 4 GLN HA H 4 4.110 4.110 4.217 -0.107 19595 61 1 3 . 1 1 4 4 GLN CA C 4 57.854 57.854 57.031 0.823 19595 62 1 3 . 1 1 4 4 GLN CB C 4 28.542 28.542 29.145 -0.603 19595 63 1 3 . 1 1 4 4 GLN H H 4 8.229 8.229 8.401 -0.172 19595 64 1 3 . 1 1 5 5 ASN HA H 5 4.728 4.728 4.764 -0.036 19595 65 1 3 . 1 1 5 5 ASN CA C 5 53.112 53.112 52.552 0.560 19595 66 1 3 . 1 1 5 5 ASN CB C 5 38.460 38.460 39.106 -0.646 19595 67 1 3 . 1 1 5 5 ASN H H 5 8.339 8.339 7.819 0.520 19595 68 1 3 . 1 1 6 6 CYS HA H 6 4.870 4.870 4.669 0.201 19595 69 1 3 . 1 1 6 6 CYS CA C 6 54.068 54.068 55.880 -1.812 19595 70 1 3 . 1 1 6 6 CYS CB C 6 40.983 40.983 27.122 13.861 19595 71 1 3 . 1 1 6 6 CYS H H 6 8.218 8.218 8.205 0.013 19595 72 1 3 . 1 1 7 7 PRO HA H 7 4.443 4.443 4.479 -0.036 19595 73 1 3 . 1 1 7 7 PRO CA C 7 63.324 63.324 63.492 -0.168 19595 74 1 3 . 1 1 7 7 PRO CB C 7 32.010 32.010 32.115 -0.105 19595 75 1 3 . 1 1 8 8 LEU HA H 8 4.303 4.303 4.570 -0.267 19595 76 1 3 . 1 1 8 8 LEU CA C 8 55.409 55.409 54.688 0.721 19595 77 1 3 . 1 1 8 8 LEU CB C 8 42.037 42.037 42.533 -0.496 19595 78 1 3 . 1 1 8 8 LEU H H 8 8.488 8.488 8.293 0.195 19595 79 1 4 . 1 1 2 2 TYR HA H 2 4.776 4.776 4.703 0.073 19595 80 1 4 . 1 1 2 2 TYR CB C 2 38.843 38.843 39.145 -0.302 19595 81 1 4 . 1 1 2 2 TYR H H 2 8.991 8.991 8.424 0.567 19595 82 1 4 . 1 1 3 3 ILE HA H 3 4.041 4.041 4.014 0.027 19595 83 1 4 . 1 1 3 3 ILE CA C 3 62.672 62.672 62.920 -0.249 19595 84 1 4 . 1 1 3 3 ILE CB C 3 38.706 38.706 38.413 0.293 19595 85 1 4 . 1 1 3 3 ILE H H 3 7.960 7.960 8.379 -0.419 19595 86 1 4 . 1 1 4 4 GLN HA H 4 4.110 4.110 4.566 -0.456 19595 87 1 4 . 1 1 4 4 GLN CA C 4 57.854 57.854 55.387 2.467 19595 88 1 4 . 1 1 4 4 GLN CB C 4 28.542 28.542 29.609 -1.067 19595 89 1 4 . 1 1 4 4 GLN H H 4 8.229 8.229 8.137 0.092 19595 90 1 4 . 1 1 5 5 ASN HA H 5 4.728 4.728 4.886 -0.158 19595 91 1 4 . 1 1 5 5 ASN CA C 5 53.112 53.112 53.343 -0.230 19595 92 1 4 . 1 1 5 5 ASN CB C 5 38.460 38.460 39.871 -1.411 19595 93 1 4 . 1 1 5 5 ASN H H 5 8.339 8.339 8.221 0.118 19595 94 1 4 . 1 1 6 6 CYS HA H 6 4.870 4.870 4.969 -0.099 19595 95 1 4 . 1 1 6 6 CYS CA C 6 54.068 54.068 56.142 -2.074 19595 96 1 4 . 1 1 6 6 CYS CB C 6 40.983 40.983 28.052 12.931 19595 97 1 4 . 1 1 6 6 CYS H H 6 8.218 8.218 8.468 -0.250 19595 98 1 4 . 1 1 7 7 PRO HA H 7 4.443 4.443 4.465 -0.022 19595 99 1 4 . 1 1 7 7 PRO CA C 7 63.324 63.324 63.315 0.009 19595 100 1 4 . 1 1 7 7 PRO CB C 7 32.010 32.010 32.385 -0.375 19595 101 1 4 . 1 1 8 8 LEU HA H 8 4.303 4.303 4.576 -0.273 19595 102 1 4 . 1 1 8 8 LEU CA C 8 55.409 55.409 56.454 -1.045 19595 103 1 4 . 1 1 8 8 LEU CB C 8 42.037 42.037 42.075 -0.039 19595 104 1 4 . 1 1 8 8 LEU H H 8 8.488 8.488 8.709 -0.221 19595 105 1 5 . 1 1 2 2 TYR HA H 2 4.776 4.776 4.839 -0.063 19595 106 1 5 . 1 1 2 2 TYR CB C 2 38.843 38.843 38.480 0.363 19595 107 1 5 . 1 1 2 2 TYR H H 2 8.991 8.991 7.737 1.254 19595 108 1 5 . 1 1 3 3 ILE HA H 3 4.041 4.041 4.492 -0.451 19595 109 1 5 . 1 1 3 3 ILE CA C 3 62.672 62.672 60.172 2.501 19595 110 1 5 . 1 1 3 3 ILE CB C 3 38.706 38.706 39.740 -1.034 19595 111 1 5 . 1 1 3 3 ILE H H 3 7.960 7.960 7.276 0.684 19595 112 1 5 . 1 1 4 4 GLN HA H 4 4.110 4.110 4.343 -0.233 19595 113 1 5 . 1 1 4 4 GLN CA C 4 57.854 57.854 56.748 1.106 19595 114 1 5 . 1 1 4 4 GLN CB C 4 28.542 28.542 28.495 0.047 19595 115 1 5 . 1 1 4 4 GLN H H 4 8.229 8.229 8.836 -0.607 19595 116 1 5 . 1 1 5 5 ASN HA H 5 4.728 4.728 4.747 -0.019 19595 117 1 5 . 1 1 5 5 ASN CA C 5 53.112 53.112 52.757 0.355 19595 118 1 5 . 1 1 5 5 ASN CB C 5 38.460 38.460 39.320 -0.860 19595 119 1 5 . 1 1 5 5 ASN H H 5 8.339 8.339 8.135 0.204 19595 120 1 5 . 1 1 6 6 CYS HA H 6 4.870 4.870 4.698 0.172 19595 121 1 5 . 1 1 6 6 CYS CA C 6 54.068 54.068 56.823 -2.755 19595 122 1 5 . 1 1 6 6 CYS CB C 6 40.983 40.983 28.093 12.890 19595 123 1 5 . 1 1 6 6 CYS H H 6 8.218 8.218 7.696 0.522 19595 124 1 5 . 1 1 7 7 PRO HA H 7 4.443 4.443 4.445 -0.002 19595 125 1 5 . 1 1 7 7 PRO CA C 7 63.324 63.324 63.802 -0.478 19595 126 1 5 . 1 1 7 7 PRO CB C 7 32.010 32.010 31.479 0.531 19595 127 1 5 . 1 1 8 8 LEU HA H 8 4.303 4.303 4.494 -0.191 19595 128 1 5 . 1 1 8 8 LEU CA C 8 55.409 55.409 54.629 0.780 19595 129 1 5 . 1 1 8 8 LEU CB C 8 42.037 42.037 42.356 -0.319 19595 130 1 5 . 1 1 8 8 LEU H H 8 8.488 8.488 8.493 -0.005 19595 131 1 6 . 1 1 2 2 TYR HA H 2 4.776 4.776 4.904 -0.128 19595 132 1 6 . 1 1 2 2 TYR CB C 2 38.843 38.843 38.202 0.641 19595 133 1 6 . 1 1 2 2 TYR H H 2 8.991 8.991 8.636 0.355 19595 134 1 6 . 1 1 3 3 ILE HA H 3 4.041 4.041 4.314 -0.273 19595 135 1 6 . 1 1 3 3 ILE CA C 3 62.672 62.672 59.378 3.294 19595 136 1 6 . 1 1 3 3 ILE CB C 3 38.706 38.706 40.736 -2.030 19595 137 1 6 . 1 1 3 3 ILE H H 3 7.960 7.960 7.763 0.197 19595 138 1 6 . 1 1 4 4 GLN HA H 4 4.110 4.110 4.294 -0.184 19595 139 1 6 . 1 1 4 4 GLN CA C 4 57.854 57.854 56.884 0.970 19595 140 1 6 . 1 1 4 4 GLN CB C 4 28.542 28.542 29.160 -0.619 19595 141 1 6 . 1 1 4 4 GLN H H 4 8.229 8.229 8.599 -0.370 19595 142 1 6 . 1 1 5 5 ASN HA H 5 4.728 4.728 4.792 -0.064 19595 143 1 6 . 1 1 5 5 ASN CA C 5 53.112 53.112 52.714 0.398 19595 144 1 6 . 1 1 5 5 ASN CB C 5 38.460 38.460 38.518 -0.058 19595 145 1 6 . 1 1 5 5 ASN H H 5 8.339 8.339 8.177 0.162 19595 146 1 6 . 1 1 6 6 CYS HA H 6 4.870 4.870 4.658 0.212 19595 147 1 6 . 1 1 6 6 CYS CA C 6 54.068 54.068 57.548 -3.480 19595 148 1 6 . 1 1 6 6 CYS CB C 6 40.983 40.983 28.278 12.705 19595 149 1 6 . 1 1 6 6 CYS H H 6 8.218 8.218 7.782 0.436 19595 150 1 6 . 1 1 7 7 PRO HA H 7 4.443 4.443 4.403 0.040 19595 151 1 6 . 1 1 7 7 PRO CA C 7 63.324 63.324 64.003 -0.679 19595 152 1 6 . 1 1 7 7 PRO CB C 7 32.010 32.010 31.636 0.374 19595 153 1 6 . 1 1 8 8 LEU HA H 8 4.303 4.303 4.661 -0.358 19595 154 1 6 . 1 1 8 8 LEU CA C 8 55.409 55.409 54.596 0.813 19595 155 1 6 . 1 1 8 8 LEU CB C 8 42.037 42.037 43.121 -1.085 19595 156 1 6 . 1 1 8 8 LEU H H 8 8.488 8.488 8.447 0.041 19595 157 1 7 . 1 1 2 2 TYR HA H 2 4.776 4.776 4.793 -0.017 19595 158 1 7 . 1 1 2 2 TYR CB C 2 38.843 38.843 38.681 0.162 19595 159 1 7 . 1 1 2 2 TYR H H 2 8.991 8.991 8.371 0.620 19595 160 1 7 . 1 1 3 3 ILE HA H 3 4.041 4.041 4.290 -0.249 19595 161 1 7 . 1 1 3 3 ILE CA C 3 62.672 62.672 59.118 3.554 19595 162 1 7 . 1 1 3 3 ILE CB C 3 38.706 38.706 39.532 -0.826 19595 163 1 7 . 1 1 3 3 ILE H H 3 7.960 7.960 7.284 0.676 19595 164 1 7 . 1 1 4 4 GLN HA H 4 4.110 4.110 4.407 -0.297 19595 165 1 7 . 1 1 4 4 GLN CA C 4 57.854 57.854 55.899 1.955 19595 166 1 7 . 1 1 4 4 GLN CB C 4 28.542 28.542 27.751 0.791 19595 167 1 7 . 1 1 4 4 GLN H H 4 8.229 8.229 8.494 -0.265 19595 168 1 7 . 1 1 5 5 ASN HA H 5 4.728 4.728 4.785 -0.057 19595 169 1 7 . 1 1 5 5 ASN CA C 5 53.112 53.112 53.261 -0.149 19595 170 1 7 . 1 1 5 5 ASN CB C 5 38.460 38.460 39.316 -0.856 19595 171 1 7 . 1 1 5 5 ASN H H 5 8.339 8.339 7.798 0.541 19595 172 1 7 . 1 1 6 6 CYS HA H 6 4.870 4.870 4.790 0.080 19595 173 1 7 . 1 1 6 6 CYS CA C 6 54.068 54.068 56.990 -2.922 19595 174 1 7 . 1 1 6 6 CYS CB C 6 40.983 40.983 28.951 12.032 19595 175 1 7 . 1 1 6 6 CYS H H 6 8.218 8.218 7.750 0.468 19595 176 1 7 . 1 1 7 7 PRO HA H 7 4.443 4.443 4.764 -0.321 19595 177 1 7 . 1 1 7 7 PRO CA C 7 63.324 63.324 62.570 0.754 19595 178 1 7 . 1 1 7 7 PRO CB C 7 32.010 32.010 32.674 -0.664 19595 179 1 7 . 1 1 8 8 LEU HA H 8 4.303 4.303 4.548 -0.245 19595 180 1 7 . 1 1 8 8 LEU CA C 8 55.409 55.409 55.147 0.262 19595 181 1 7 . 1 1 8 8 LEU CB C 8 42.037 42.037 41.868 0.168 19595 182 1 7 . 1 1 8 8 LEU H H 8 8.488 8.488 8.318 0.170 19595 183 1 8 . 1 1 2 2 TYR HA H 2 4.776 4.776 4.740 0.036 19595 184 1 8 . 1 1 2 2 TYR CB C 2 38.843 38.843 39.326 -0.483 19595 185 1 8 . 1 1 2 2 TYR H H 2 8.991 8.991 8.268 0.723 19595 186 1 8 . 1 1 3 3 ILE HA H 3 4.041 4.041 3.788 0.253 19595 187 1 8 . 1 1 3 3 ILE CA C 3 62.672 62.672 64.611 -1.939 19595 188 1 8 . 1 1 3 3 ILE CB C 3 38.706 38.706 38.203 0.503 19595 189 1 8 . 1 1 3 3 ILE H H 3 7.960 7.960 8.848 -0.888 19595 190 1 8 . 1 1 4 4 GLN HA H 4 4.110 4.110 4.381 -0.271 19595 191 1 8 . 1 1 4 4 GLN CA C 4 57.854 57.854 56.554 1.300 19595 192 1 8 . 1 1 4 4 GLN CB C 4 28.542 28.542 28.430 0.112 19595 193 1 8 . 1 1 4 4 GLN H H 4 8.229 8.229 8.423 -0.194 19595 194 1 8 . 1 1 5 5 ASN HA H 5 4.728 4.728 4.928 -0.200 19595 195 1 8 . 1 1 5 5 ASN CA C 5 53.112 53.112 53.178 -0.066 19595 196 1 8 . 1 1 5 5 ASN CB C 5 38.460 38.460 40.712 -2.252 19595 197 1 8 . 1 1 5 5 ASN H H 5 8.339 8.339 8.291 0.048 19595 198 1 8 . 1 1 6 6 CYS HA H 6 4.870 4.870 4.751 0.119 19595 199 1 8 . 1 1 6 6 CYS CA C 6 54.068 54.068 57.070 -3.002 19595 200 1 8 . 1 1 6 6 CYS CB C 6 40.983 40.983 26.423 14.560 19595 201 1 8 . 1 1 6 6 CYS H H 6 8.218 8.218 8.085 0.133 19595 202 1 8 . 1 1 7 7 PRO HA H 7 4.443 4.443 4.525 -0.082 19595 203 1 8 . 1 1 7 7 PRO CA C 7 63.324 63.324 62.929 0.395 19595 204 1 8 . 1 1 7 7 PRO CB C 7 32.010 32.010 32.351 -0.341 19595 205 1 8 . 1 1 8 8 LEU HA H 8 4.303 4.303 4.543 -0.240 19595 206 1 8 . 1 1 8 8 LEU CA C 8 55.409 55.409 55.073 0.336 19595 207 1 8 . 1 1 8 8 LEU CB C 8 42.037 42.037 42.028 0.009 19595 208 1 8 . 1 1 8 8 LEU H H 8 8.488 8.488 8.524 -0.036 19595 209 1 9 . 1 1 2 2 TYR HA H 2 4.776 4.776 4.861 -0.085 19595 210 1 9 . 1 1 2 2 TYR CB C 2 38.843 38.843 40.162 -1.319 19595 211 1 9 . 1 1 2 2 TYR H H 2 8.991 8.991 8.548 0.443 19595 212 1 9 . 1 1 3 3 ILE HA H 3 4.041 4.041 3.761 0.280 19595 213 1 9 . 1 1 3 3 ILE CA C 3 62.672 62.672 64.055 -1.383 19595 214 1 9 . 1 1 3 3 ILE CB C 3 38.706 38.706 38.022 0.685 19595 215 1 9 . 1 1 3 3 ILE H H 3 7.960 7.960 8.994 -1.034 19595 216 1 9 . 1 1 4 4 GLN HA H 4 4.110 4.110 4.239 -0.129 19595 217 1 9 . 1 1 4 4 GLN CA C 4 57.854 57.854 57.351 0.503 19595 218 1 9 . 1 1 4 4 GLN CB C 4 28.542 28.542 28.058 0.484 19595 219 1 9 . 1 1 4 4 GLN H H 4 8.229 8.229 8.685 -0.456 19595 220 1 9 . 1 1 5 5 ASN HA H 5 4.728 4.728 4.912 -0.184 19595 221 1 9 . 1 1 5 5 ASN CA C 5 53.112 53.112 53.349 -0.237 19595 222 1 9 . 1 1 5 5 ASN CB C 5 38.460 38.460 41.511 -3.051 19595 223 1 9 . 1 1 5 5 ASN H H 5 8.339 8.339 8.204 0.135 19595 224 1 9 . 1 1 6 6 CYS HA H 6 4.870 4.870 4.827 0.043 19595 225 1 9 . 1 1 6 6 CYS CA C 6 54.068 54.068 57.072 -3.004 19595 226 1 9 . 1 1 6 6 CYS CB C 6 40.983 40.983 26.405 14.578 19595 227 1 9 . 1 1 6 6 CYS H H 6 8.218 8.218 7.519 0.699 19595 228 1 9 . 1 1 7 7 PRO HA H 7 4.443 4.443 4.504 -0.061 19595 229 1 9 . 1 1 7 7 PRO CA C 7 63.324 63.324 63.236 0.088 19595 230 1 9 . 1 1 7 7 PRO CB C 7 32.010 32.010 31.877 0.133 19595 231 1 9 . 1 1 8 8 LEU HA H 8 4.303 4.303 4.591 -0.288 19595 232 1 9 . 1 1 8 8 LEU CA C 8 55.409 55.409 54.687 0.722 19595 233 1 9 . 1 1 8 8 LEU CB C 8 42.037 42.037 42.536 -0.499 19595 234 1 9 . 1 1 8 8 LEU H H 8 8.488 8.488 8.651 -0.163 19595 235 1 10 . 1 1 2 2 TYR HA H 2 4.776 4.776 4.937 -0.161 19595 236 1 10 . 1 1 2 2 TYR CB C 2 38.843 38.843 39.184 -0.341 19595 237 1 10 . 1 1 2 2 TYR H H 2 8.991 8.991 8.729 0.262 19595 238 1 10 . 1 1 3 3 ILE HA H 3 4.041 4.041 4.464 -0.423 19595 239 1 10 . 1 1 3 3 ILE CA C 3 62.672 62.672 59.792 2.880 19595 240 1 10 . 1 1 3 3 ILE CB C 3 38.706 38.706 39.520 -0.814 19595 241 1 10 . 1 1 3 3 ILE H H 3 7.960 7.960 7.658 0.302 19595 242 1 10 . 1 1 4 4 GLN HA H 4 4.110 4.110 4.223 -0.113 19595 243 1 10 . 1 1 4 4 GLN CA C 4 57.854 57.854 56.332 1.522 19595 244 1 10 . 1 1 4 4 GLN CB C 4 28.542 28.542 29.218 -0.676 19595 245 1 10 . 1 1 4 4 GLN H H 4 8.229 8.229 8.289 -0.060 19595 246 1 10 . 1 1 5 5 ASN HA H 5 4.728 4.728 4.800 -0.072 19595 247 1 10 . 1 1 5 5 ASN CA C 5 53.112 53.112 52.779 0.333 19595 248 1 10 . 1 1 5 5 ASN CB C 5 38.460 38.460 39.243 -0.783 19595 249 1 10 . 1 1 5 5 ASN H H 5 8.339 8.339 7.940 0.399 19595 250 1 10 . 1 1 6 6 CYS HA H 6 4.870 4.870 4.695 0.175 19595 251 1 10 . 1 1 6 6 CYS CA C 6 54.068 54.068 56.775 -2.707 19595 252 1 10 . 1 1 6 6 CYS CB C 6 40.983 40.983 26.592 14.391 19595 253 1 10 . 1 1 6 6 CYS H H 6 8.218 8.218 8.453 -0.235 19595 254 1 10 . 1 1 7 7 PRO HA H 7 4.443 4.443 4.421 0.022 19595 255 1 10 . 1 1 7 7 PRO CA C 7 63.324 63.324 63.191 0.133 19595 256 1 10 . 1 1 7 7 PRO CB C 7 32.010 32.010 32.116 -0.106 19595 257 1 10 . 1 1 8 8 LEU HA H 8 4.303 4.303 4.558 -0.255 19595 258 1 10 . 1 1 8 8 LEU CA C 8 55.409 55.409 54.709 0.700 19595 259 1 10 . 1 1 8 8 LEU CB C 8 42.037 42.037 42.352 -0.315 19595 260 1 10 . 1 1 8 8 LEU H H 8 8.488 8.488 8.491 -0.003 19595 261 1 11 . 1 1 2 2 TYR HA H 2 4.776 4.776 4.727 0.049 19595 262 1 11 . 1 1 2 2 TYR CB C 2 38.843 38.843 38.422 0.421 19595 263 1 11 . 1 1 2 2 TYR H H 2 8.991 8.991 8.476 0.515 19595 264 1 11 . 1 1 3 3 ILE HA H 3 4.041 4.041 4.445 -0.404 19595 265 1 11 . 1 1 3 3 ILE CA C 3 62.672 62.672 59.035 3.637 19595 266 1 11 . 1 1 3 3 ILE CB C 3 38.706 38.706 40.569 -1.863 19595 267 1 11 . 1 1 3 3 ILE H H 3 7.960 7.960 7.051 0.909 19595 268 1 11 . 1 1 4 4 GLN HA H 4 4.110 4.110 4.350 -0.240 19595 269 1 11 . 1 1 4 4 GLN CA C 4 57.854 57.854 55.546 2.308 19595 270 1 11 . 1 1 4 4 GLN CB C 4 28.542 28.542 29.776 -1.234 19595 271 1 11 . 1 1 4 4 GLN H H 4 8.229 8.229 8.326 -0.097 19595 272 1 11 . 1 1 5 5 ASN HA H 5 4.728 4.728 4.761 -0.033 19595 273 1 11 . 1 1 5 5 ASN CA C 5 53.112 53.112 52.418 0.694 19595 274 1 11 . 1 1 5 5 ASN CB C 5 38.460 38.460 39.126 -0.666 19595 275 1 11 . 1 1 5 5 ASN H H 5 8.339 8.339 8.120 0.219 19595 276 1 11 . 1 1 6 6 CYS HA H 6 4.870 4.870 4.459 0.411 19595 277 1 11 . 1 1 6 6 CYS CA C 6 54.068 54.068 56.939 -2.871 19595 278 1 11 . 1 1 6 6 CYS CB C 6 40.983 40.983 26.363 14.620 19595 279 1 11 . 1 1 6 6 CYS H H 6 8.218 8.218 8.122 0.096 19595 280 1 11 . 1 1 7 7 PRO HA H 7 4.443 4.443 4.444 -0.001 19595 281 1 11 . 1 1 7 7 PRO CA C 7 63.324 63.324 62.872 0.452 19595 282 1 11 . 1 1 7 7 PRO CB C 7 32.010 32.010 32.125 -0.115 19595 283 1 11 . 1 1 8 8 LEU HA H 8 4.303 4.303 4.280 0.023 19595 284 1 11 . 1 1 8 8 LEU CA C 8 55.409 55.409 54.661 0.748 19595 285 1 11 . 1 1 8 8 LEU CB C 8 42.037 42.037 41.886 0.151 19595 286 1 11 . 1 1 8 8 LEU H H 8 8.488 8.488 8.484 0.004 19595 287 1 12 . 1 1 2 2 TYR HA H 2 4.776 4.776 4.785 -0.009 19595 288 1 12 . 1 1 2 2 TYR CB C 2 38.843 38.843 39.518 -0.675 19595 289 1 12 . 1 1 2 2 TYR H H 2 8.991 8.991 8.512 0.479 19595 290 1 12 . 1 1 3 3 ILE HA H 3 4.041 4.041 3.408 0.633 19595 291 1 12 . 1 1 3 3 ILE CA C 3 62.672 62.672 64.580 -1.908 19595 292 1 12 . 1 1 3 3 ILE CB C 3 38.706 38.706 37.371 1.335 19595 293 1 12 . 1 1 3 3 ILE H H 3 7.960 7.960 8.148 -0.188 19595 294 1 12 . 1 1 4 4 GLN HA H 4 4.110 4.110 4.152 -0.042 19595 295 1 12 . 1 1 4 4 GLN CA C 4 57.854 57.854 57.222 0.632 19595 296 1 12 . 1 1 4 4 GLN CB C 4 28.542 28.542 28.900 -0.358 19595 297 1 12 . 1 1 4 4 GLN H H 4 8.229 8.229 7.872 0.357 19595 298 1 12 . 1 1 5 5 ASN HA H 5 4.728 4.728 4.930 -0.202 19595 299 1 12 . 1 1 5 5 ASN CA C 5 53.112 53.112 53.163 -0.051 19595 300 1 12 . 1 1 5 5 ASN CB C 5 38.460 38.460 39.728 -1.268 19595 301 1 12 . 1 1 5 5 ASN H H 5 8.339 8.339 8.140 0.199 19595 302 1 12 . 1 1 6 6 CYS HA H 6 4.870 4.870 4.822 0.048 19595 303 1 12 . 1 1 6 6 CYS CA C 6 54.068 54.068 56.794 -2.726 19595 304 1 12 . 1 1 6 6 CYS CB C 6 40.983 40.983 28.783 12.200 19595 305 1 12 . 1 1 6 6 CYS H H 6 8.218 8.218 7.402 0.816 19595 306 1 12 . 1 1 7 7 PRO HA H 7 4.443 4.443 4.331 0.112 19595 307 1 12 . 1 1 7 7 PRO CA C 7 63.324 63.324 63.189 0.135 19595 308 1 12 . 1 1 7 7 PRO CB C 7 32.010 32.010 31.264 0.746 19595 309 1 12 . 1 1 8 8 LEU HA H 8 4.303 4.303 4.560 -0.257 19595 310 1 12 . 1 1 8 8 LEU CA C 8 55.409 55.409 55.206 0.203 19595 311 1 12 . 1 1 8 8 LEU CB C 8 42.037 42.037 42.629 -0.592 19595 312 1 12 . 1 1 8 8 LEU H H 8 8.488 8.488 8.222 0.266 19595 313 1 13 . 1 1 2 2 TYR HA H 2 4.776 4.776 5.153 -0.377 19595 314 1 13 . 1 1 2 2 TYR CB C 2 38.843 38.843 38.342 0.501 19595 315 1 13 . 1 1 2 2 TYR H H 2 8.991 8.991 8.148 0.843 19595 316 1 13 . 1 1 3 3 ILE HA H 3 4.041 4.041 4.367 -0.326 19595 317 1 13 . 1 1 3 3 ILE CA C 3 62.672 62.672 59.938 2.734 19595 318 1 13 . 1 1 3 3 ILE CB C 3 38.706 38.706 39.740 -1.034 19595 319 1 13 . 1 1 3 3 ILE H H 3 7.960 7.960 7.175 0.785 19595 320 1 13 . 1 1 4 4 GLN HA H 4 4.110 4.110 4.400 -0.290 19595 321 1 13 . 1 1 4 4 GLN CA C 4 57.854 57.854 56.049 1.805 19595 322 1 13 . 1 1 4 4 GLN CB C 4 28.542 28.542 29.436 -0.894 19595 323 1 13 . 1 1 4 4 GLN H H 4 8.229 8.229 8.488 -0.259 19595 324 1 13 . 1 1 5 5 ASN HA H 5 4.728 4.728 4.768 -0.040 19595 325 1 13 . 1 1 5 5 ASN CA C 5 53.112 53.112 52.564 0.548 19595 326 1 13 . 1 1 5 5 ASN CB C 5 38.460 38.460 38.636 -0.176 19595 327 1 13 . 1 1 5 5 ASN H H 5 8.339 8.339 8.213 0.126 19595 328 1 13 . 1 1 6 6 CYS HA H 6 4.870 4.870 4.736 0.134 19595 329 1 13 . 1 1 6 6 CYS CA C 6 54.068 54.068 56.452 -2.384 19595 330 1 13 . 1 1 6 6 CYS CB C 6 40.983 40.983 27.920 13.063 19595 331 1 13 . 1 1 6 6 CYS H H 6 8.218 8.218 8.068 0.150 19595 332 1 13 . 1 1 7 7 PRO HA H 7 4.443 4.443 4.412 0.031 19595 333 1 13 . 1 1 7 7 PRO CA C 7 63.324 63.324 63.990 -0.666 19595 334 1 13 . 1 1 7 7 PRO CB C 7 32.010 32.010 31.647 0.363 19595 335 1 13 . 1 1 8 8 LEU HA H 8 4.303 4.303 4.540 -0.237 19595 336 1 13 . 1 1 8 8 LEU CA C 8 55.409 55.409 54.611 0.798 19595 337 1 13 . 1 1 8 8 LEU CB C 8 42.037 42.037 42.390 -0.353 19595 338 1 13 . 1 1 8 8 LEU H H 8 8.488 8.488 8.504 -0.016 19595 339 1 14 . 1 1 2 2 TYR HA H 2 4.776 4.776 4.669 0.107 19595 340 1 14 . 1 1 2 2 TYR CB C 2 38.843 38.843 38.550 0.293 19595 341 1 14 . 1 1 2 2 TYR H H 2 8.991 8.991 8.524 0.467 19595 342 1 14 . 1 1 3 3 ILE HA H 3 4.041 4.041 4.286 -0.245 19595 343 1 14 . 1 1 3 3 ILE CA C 3 62.672 62.672 58.695 3.977 19595 344 1 14 . 1 1 3 3 ILE CB C 3 38.706 38.706 39.432 -0.726 19595 345 1 14 . 1 1 3 3 ILE H H 3 7.960 7.960 7.128 0.832 19595 346 1 14 . 1 1 4 4 GLN HA H 4 4.110 4.110 4.178 -0.068 19595 347 1 14 . 1 1 4 4 GLN CA C 4 57.854 57.854 56.958 0.896 19595 348 1 14 . 1 1 4 4 GLN CB C 4 28.542 28.542 28.470 0.072 19595 349 1 14 . 1 1 4 4 GLN H H 4 8.229 8.229 8.559 -0.330 19595 350 1 14 . 1 1 5 5 ASN HA H 5 4.728 4.728 4.720 0.008 19595 351 1 14 . 1 1 5 5 ASN CA C 5 53.112 53.112 53.108 0.004 19595 352 1 14 . 1 1 5 5 ASN CB C 5 38.460 38.460 38.163 0.296 19595 353 1 14 . 1 1 5 5 ASN H H 5 8.339 8.339 8.067 0.272 19595 354 1 14 . 1 1 6 6 CYS HA H 6 4.870 4.870 4.827 0.043 19595 355 1 14 . 1 1 6 6 CYS CA C 6 54.068 54.068 55.481 -1.413 19595 356 1 14 . 1 1 6 6 CYS CB C 6 40.983 40.983 27.328 13.655 19595 357 1 14 . 1 1 6 6 CYS H H 6 8.218 8.218 7.482 0.736 19595 358 1 14 . 1 1 7 7 PRO HA H 7 4.443 4.443 4.489 -0.046 19595 359 1 14 . 1 1 7 7 PRO CA C 7 63.324 63.324 63.305 0.019 19595 360 1 14 . 1 1 7 7 PRO CB C 7 32.010 32.010 31.797 0.213 19595 361 1 14 . 1 1 8 8 LEU HA H 8 4.303 4.303 4.499 -0.196 19595 362 1 14 . 1 1 8 8 LEU CA C 8 55.409 55.409 54.675 0.734 19595 363 1 14 . 1 1 8 8 LEU CB C 8 42.037 42.037 42.405 -0.368 19595 364 1 14 . 1 1 8 8 LEU H H 8 8.488 8.488 8.664 -0.176 19595 365 1 15 . 1 1 2 2 TYR HA H 2 4.776 4.776 5.047 -0.271 19595 366 1 15 . 1 1 2 2 TYR CB C 2 38.843 38.843 38.274 0.569 19595 367 1 15 . 1 1 2 2 TYR H H 2 8.991 8.991 8.374 0.617 19595 368 1 15 . 1 1 3 3 ILE HA H 3 4.041 4.041 4.423 -0.382 19595 369 1 15 . 1 1 3 3 ILE CA C 3 62.672 62.672 60.207 2.465 19595 370 1 15 . 1 1 3 3 ILE CB C 3 38.706 38.706 39.557 -0.851 19595 371 1 15 . 1 1 3 3 ILE H H 3 7.960 7.960 7.394 0.566 19595 372 1 15 . 1 1 4 4 GLN HA H 4 4.110 4.110 4.324 -0.214 19595 373 1 15 . 1 1 4 4 GLN CA C 4 57.854 57.854 56.483 1.371 19595 374 1 15 . 1 1 4 4 GLN CB C 4 28.542 28.542 29.069 -0.527 19595 375 1 15 . 1 1 4 4 GLN H H 4 8.229 8.229 8.529 -0.300 19595 376 1 15 . 1 1 5 5 ASN HA H 5 4.728 4.728 4.754 -0.026 19595 377 1 15 . 1 1 5 5 ASN CA C 5 53.112 53.112 53.277 -0.165 19595 378 1 15 . 1 1 5 5 ASN CB C 5 38.460 38.460 39.316 -0.856 19595 379 1 15 . 1 1 5 5 ASN H H 5 8.339 8.339 8.025 0.314 19595 380 1 15 . 1 1 6 6 CYS HA H 6 4.870 4.870 4.941 -0.071 19595 381 1 15 . 1 1 6 6 CYS CA C 6 54.068 54.068 55.916 -1.848 19595 382 1 15 . 1 1 6 6 CYS CB C 6 40.983 40.983 28.497 12.486 19595 383 1 15 . 1 1 6 6 CYS H H 6 8.218 8.218 8.478 -0.260 19595 384 1 15 . 1 1 7 7 PRO HA H 7 4.443 4.443 4.724 -0.281 19595 385 1 15 . 1 1 7 7 PRO CA C 7 63.324 63.324 62.876 0.448 19595 386 1 15 . 1 1 7 7 PRO CB C 7 32.010 32.010 30.900 1.110 19595 387 1 15 . 1 1 8 8 LEU HA H 8 4.303 4.303 4.428 -0.125 19595 388 1 15 . 1 1 8 8 LEU CA C 8 55.409 55.409 54.999 0.410 19595 389 1 15 . 1 1 8 8 LEU CB C 8 42.037 42.037 42.428 -0.391 19595 390 1 15 . 1 1 8 8 LEU H H 8 8.488 8.488 8.375 0.113 19595 391 1 16 . 1 1 2 2 TYR HA H 2 4.776 4.776 4.758 0.018 19595 392 1 16 . 1 1 2 2 TYR CB C 2 38.843 38.843 39.265 -0.422 19595 393 1 16 . 1 1 2 2 TYR H H 2 8.991 8.991 8.292 0.699 19595 394 1 16 . 1 1 3 3 ILE HA H 3 4.041 4.041 4.051 -0.010 19595 395 1 16 . 1 1 3 3 ILE CA C 3 62.672 62.672 62.787 -0.115 19595 396 1 16 . 1 1 3 3 ILE CB C 3 38.706 38.706 38.441 0.265 19595 397 1 16 . 1 1 3 3 ILE H H 3 7.960 7.960 8.278 -0.318 19595 398 1 16 . 1 1 4 4 GLN HA H 4 4.110 4.110 4.202 -0.092 19595 399 1 16 . 1 1 4 4 GLN CA C 4 57.854 57.854 57.839 0.015 19595 400 1 16 . 1 1 4 4 GLN CB C 4 28.542 28.542 28.555 -0.013 19595 401 1 16 . 1 1 4 4 GLN H H 4 8.229 8.229 8.522 -0.293 19595 402 1 16 . 1 1 5 5 ASN HA H 5 4.728 4.728 4.849 -0.121 19595 403 1 16 . 1 1 5 5 ASN CA C 5 53.112 53.112 52.772 0.340 19595 404 1 16 . 1 1 5 5 ASN CB C 5 38.460 38.460 38.054 0.406 19595 405 1 16 . 1 1 5 5 ASN H H 5 8.339 8.339 8.535 -0.196 19595 406 1 16 . 1 1 6 6 CYS HA H 6 4.870 4.870 4.868 0.002 19595 407 1 16 . 1 1 6 6 CYS CA C 6 54.068 54.068 56.073 -2.005 19595 408 1 16 . 1 1 6 6 CYS CB C 6 40.983 40.983 28.373 12.610 19595 409 1 16 . 1 1 6 6 CYS H H 6 8.218 8.218 7.547 0.671 19595 410 1 16 . 1 1 7 7 PRO HA H 7 4.443 4.443 4.680 -0.237 19595 411 1 16 . 1 1 7 7 PRO CA C 7 63.324 63.324 62.663 0.662 19595 412 1 16 . 1 1 7 7 PRO CB C 7 32.010 32.010 32.782 -0.772 19595 413 1 16 . 1 1 8 8 LEU HA H 8 4.303 4.303 4.543 -0.240 19595 414 1 16 . 1 1 8 8 LEU CA C 8 55.409 55.409 54.906 0.504 19595 415 1 16 . 1 1 8 8 LEU CB C 8 42.037 42.037 41.861 0.176 19595 416 1 16 . 1 1 8 8 LEU H H 8 8.488 8.488 8.358 0.130 19595 417 1 17 . 1 1 2 2 TYR HA H 2 4.776 4.776 4.691 0.085 19595 418 1 17 . 1 1 2 2 TYR CB C 2 38.843 38.843 39.215 -0.372 19595 419 1 17 . 1 1 2 2 TYR H H 2 8.991 8.991 8.627 0.364 19595 420 1 17 . 1 1 3 3 ILE HA H 3 4.041 4.041 4.503 -0.462 19595 421 1 17 . 1 1 3 3 ILE CA C 3 62.672 62.672 60.069 2.603 19595 422 1 17 . 1 1 3 3 ILE CB C 3 38.706 38.706 40.031 -1.325 19595 423 1 17 . 1 1 3 3 ILE H H 3 7.960 7.960 7.437 0.523 19595 424 1 17 . 1 1 4 4 GLN HA H 4 4.110 4.110 4.181 -0.071 19595 425 1 17 . 1 1 4 4 GLN CA C 4 57.854 57.854 57.059 0.796 19595 426 1 17 . 1 1 4 4 GLN CB C 4 28.542 28.542 28.853 -0.311 19595 427 1 17 . 1 1 4 4 GLN H H 4 8.229 8.229 8.706 -0.477 19595 428 1 17 . 1 1 5 5 ASN HA H 5 4.728 4.728 4.742 -0.014 19595 429 1 17 . 1 1 5 5 ASN CA C 5 53.112 53.112 53.106 0.006 19595 430 1 17 . 1 1 5 5 ASN CB C 5 38.460 38.460 38.198 0.262 19595 431 1 17 . 1 1 5 5 ASN H H 5 8.339 8.339 8.069 0.270 19595 432 1 17 . 1 1 6 6 CYS HA H 6 4.870 4.870 4.702 0.168 19595 433 1 17 . 1 1 6 6 CYS CA C 6 54.068 54.068 56.123 -2.055 19595 434 1 17 . 1 1 6 6 CYS CB C 6 40.983 40.983 27.271 13.712 19595 435 1 17 . 1 1 6 6 CYS H H 6 8.218 8.218 7.586 0.632 19595 436 1 17 . 1 1 7 7 PRO HA H 7 4.443 4.443 4.493 -0.050 19595 437 1 17 . 1 1 7 7 PRO CA C 7 63.324 63.324 62.652 0.672 19595 438 1 17 . 1 1 7 7 PRO CB C 7 32.010 32.010 32.209 -0.199 19595 439 1 17 . 1 1 8 8 LEU HA H 8 4.303 4.303 4.480 -0.177 19595 440 1 17 . 1 1 8 8 LEU CA C 8 55.409 55.409 54.748 0.661 19595 441 1 17 . 1 1 8 8 LEU CB C 8 42.037 42.037 41.462 0.575 19595 442 1 17 . 1 1 8 8 LEU H H 8 8.488 8.488 8.396 0.092 19595 443 1 18 . 1 1 2 2 TYR HA H 2 4.776 4.776 4.808 -0.032 19595 444 1 18 . 1 1 2 2 TYR CB C 2 38.843 38.843 38.487 0.356 19595 445 1 18 . 1 1 2 2 TYR H H 2 8.991 8.991 7.936 1.055 19595 446 1 18 . 1 1 3 3 ILE HA H 3 4.041 4.041 4.497 -0.456 19595 447 1 18 . 1 1 3 3 ILE CA C 3 62.672 62.672 59.120 3.551 19595 448 1 18 . 1 1 3 3 ILE CB C 3 38.706 38.706 41.429 -2.723 19595 449 1 18 . 1 1 3 3 ILE H H 3 7.960 7.960 7.267 0.693 19595 450 1 18 . 1 1 4 4 GLN HA H 4 4.110 4.110 4.249 -0.139 19595 451 1 18 . 1 1 4 4 GLN CA C 4 57.854 57.854 57.291 0.563 19595 452 1 18 . 1 1 4 4 GLN CB C 4 28.542 28.542 28.969 -0.427 19595 453 1 18 . 1 1 4 4 GLN H H 4 8.229 8.229 8.549 -0.320 19595 454 1 18 . 1 1 5 5 ASN HA H 5 4.728 4.728 4.735 -0.007 19595 455 1 18 . 1 1 5 5 ASN CA C 5 53.112 53.112 52.616 0.496 19595 456 1 18 . 1 1 5 5 ASN CB C 5 38.460 38.460 37.786 0.674 19595 457 1 18 . 1 1 5 5 ASN H H 5 8.339 8.339 8.217 0.122 19595 458 1 18 . 1 1 6 6 CYS HA H 6 4.870 4.870 4.393 0.477 19595 459 1 18 . 1 1 6 6 CYS CA C 6 54.068 54.068 56.840 -2.772 19595 460 1 18 . 1 1 6 6 CYS CB C 6 40.983 40.983 27.719 13.264 19595 461 1 18 . 1 1 6 6 CYS H H 6 8.218 8.218 7.740 0.478 19595 462 1 18 . 1 1 7 7 PRO HA H 7 4.443 4.443 4.442 0.001 19595 463 1 18 . 1 1 7 7 PRO CA C 7 63.324 63.324 63.459 -0.135 19595 464 1 18 . 1 1 7 7 PRO CB C 7 32.010 32.010 31.272 0.738 19595 465 1 18 . 1 1 8 8 LEU HA H 8 4.303 4.303 4.469 -0.166 19595 466 1 18 . 1 1 8 8 LEU CA C 8 55.409 55.409 54.718 0.692 19595 467 1 18 . 1 1 8 8 LEU CB C 8 42.037 42.037 42.425 -0.388 19595 468 1 18 . 1 1 8 8 LEU H H 8 8.488 8.488 8.519 -0.031 19595 469 1 19 . 1 1 2 2 TYR HA H 2 4.776 4.776 5.060 -0.284 19595 470 1 19 . 1 1 2 2 TYR CB C 2 38.843 38.843 38.091 0.752 19595 471 1 19 . 1 1 2 2 TYR H H 2 8.991 8.991 8.882 0.109 19595 472 1 19 . 1 1 3 3 ILE HA H 3 4.041 4.041 4.382 -0.341 19595 473 1 19 . 1 1 3 3 ILE CA C 3 62.672 62.672 59.944 2.728 19595 474 1 19 . 1 1 3 3 ILE CB C 3 38.706 38.706 41.151 -2.445 19595 475 1 19 . 1 1 3 3 ILE H H 3 7.960 7.960 7.689 0.271 19595 476 1 19 . 1 1 4 4 GLN HA H 4 4.110 4.110 4.414 -0.304 19595 477 1 19 . 1 1 4 4 GLN CA C 4 57.854 57.854 56.363 1.491 19595 478 1 19 . 1 1 4 4 GLN CB C 4 28.542 28.542 29.420 -0.878 19595 479 1 19 . 1 1 4 4 GLN H H 4 8.229 8.229 8.523 -0.294 19595 480 1 19 . 1 1 5 5 ASN HA H 5 4.728 4.728 4.832 -0.104 19595 481 1 19 . 1 1 5 5 ASN CA C 5 53.112 53.112 52.861 0.251 19595 482 1 19 . 1 1 5 5 ASN CB C 5 38.460 38.460 38.727 -0.267 19595 483 1 19 . 1 1 5 5 ASN H H 5 8.339 8.339 8.118 0.221 19595 484 1 19 . 1 1 6 6 CYS HA H 6 4.870 4.870 4.529 0.341 19595 485 1 19 . 1 1 6 6 CYS CA C 6 54.068 54.068 57.132 -3.064 19595 486 1 19 . 1 1 6 6 CYS CB C 6 40.983 40.983 26.950 14.033 19595 487 1 19 . 1 1 6 6 CYS H H 6 8.218 8.218 8.032 0.186 19595 488 1 19 . 1 1 7 7 PRO HA H 7 4.443 4.443 4.296 0.147 19595 489 1 19 . 1 1 7 7 PRO CA C 7 63.324 63.324 63.486 -0.162 19595 490 1 19 . 1 1 7 7 PRO CB C 7 32.010 32.010 31.572 0.438 19595 491 1 19 . 1 1 8 8 LEU HA H 8 4.303 4.303 4.627 -0.324 19595 492 1 19 . 1 1 8 8 LEU CA C 8 55.409 55.409 54.841 0.568 19595 493 1 19 . 1 1 8 8 LEU CB C 8 42.037 42.037 42.816 -0.779 19595 494 1 19 . 1 1 8 8 LEU H H 8 8.488 8.488 8.442 0.046 19595 495 1 20 . 1 1 2 2 TYR HA H 2 4.776 4.776 4.527 0.249 19595 496 1 20 . 1 1 2 2 TYR CB C 2 38.843 38.843 38.775 0.068 19595 497 1 20 . 1 1 2 2 TYR H H 2 8.991 8.991 8.567 0.424 19595 498 1 20 . 1 1 3 3 ILE HA H 3 4.041 4.041 4.315 -0.274 19595 499 1 20 . 1 1 3 3 ILE CA C 3 62.672 62.672 59.865 2.807 19595 500 1 20 . 1 1 3 3 ILE CB C 3 38.706 38.706 40.207 -1.501 19595 501 1 20 . 1 1 3 3 ILE H H 3 7.960 7.960 7.479 0.481 19595 502 1 20 . 1 1 4 4 GLN HA H 4 4.110 4.110 4.163 -0.053 19595 503 1 20 . 1 1 4 4 GLN CA C 4 57.854 57.854 56.947 0.907 19595 504 1 20 . 1 1 4 4 GLN CB C 4 28.542 28.542 28.402 0.140 19595 505 1 20 . 1 1 4 4 GLN H H 4 8.229 8.229 8.602 -0.373 19595 506 1 20 . 1 1 5 5 ASN HA H 5 4.728 4.728 4.748 -0.020 19595 507 1 20 . 1 1 5 5 ASN CA C 5 53.112 53.112 52.522 0.590 19595 508 1 20 . 1 1 5 5 ASN CB C 5 38.460 38.460 38.659 -0.199 19595 509 1 20 . 1 1 5 5 ASN H H 5 8.339 8.339 8.087 0.252 19595 510 1 20 . 1 1 6 6 CYS HA H 6 4.870 4.870 4.898 -0.028 19595 511 1 20 . 1 1 6 6 CYS CA C 6 54.068 54.068 55.951 -1.883 19595 512 1 20 . 1 1 6 6 CYS CB C 6 40.983 40.983 28.192 12.791 19595 513 1 20 . 1 1 6 6 CYS H H 6 8.218 8.218 7.598 0.620 19595 514 1 20 . 1 1 7 7 PRO HA H 7 4.443 4.443 4.541 -0.098 19595 515 1 20 . 1 1 7 7 PRO CA C 7 63.324 63.324 63.222 0.102 19595 516 1 20 . 1 1 7 7 PRO CB C 7 32.010 32.010 31.136 0.874 19595 517 1 20 . 1 1 8 8 LEU HA H 8 4.303 4.303 4.518 -0.215 19595 518 1 20 . 1 1 8 8 LEU CA C 8 55.409 55.409 54.533 0.876 19595 519 1 20 . 1 1 8 8 LEU CB C 8 42.037 42.037 42.258 -0.221 19595 520 1 20 . 1 1 8 8 LEU H H 8 8.488 8.488 8.464 0.024 19595 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 0 0.000 0.000 0.000 19595 2 1 1 "Average Difference" HA 7 0.219 0.013 0.236 19595 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19595 4 1 1 "Average Difference" CA 6 1.343 0.232 1.449 19595 5 1 1 "Average Difference" CB 7 5.032 -1.438 5.209 19595 6 1 1 "Average Difference" HN 6 0.380 -0.229 0.332 19595 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 19595 8 1 2 "Average Difference" HA 7 0.209 0.088 0.204 19595 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19595 10 1 2 "Average Difference" CA 6 1.907 -0.259 2.070 19595 11 1 2 "Average Difference" CB 7 5.359 -1.752 5.471 19595 12 1 2 "Average Difference" HN 6 0.417 -0.141 0.430 19595 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 19595 14 1 3 "Average Difference" HA 7 0.206 0.096 0.197 19595 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19595 16 1 3 "Average Difference" CA 6 1.613 -0.568 1.654 19595 17 1 3 "Average Difference" CB 7 5.335 -1.461 5.542 19595 18 1 3 "Average Difference" HN 6 0.484 -0.333 0.385 19595 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 19595 20 1 4 "Average Difference" HA 7 0.215 0.130 0.185 19595 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19595 22 1 4 "Average Difference" CA 6 1.390 0.187 1.509 19595 23 1 4 "Average Difference" CB 7 4.938 -1.433 5.104 19595 24 1 4 "Average Difference" HN 6 0.324 0.019 0.354 19595 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 19595 26 1 5 "Average Difference" HA 7 0.217 0.113 0.200 19595 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19595 28 1 5 "Average Difference" CA 6 1.634 -0.252 1.769 19595 29 1 5 "Average Difference" CB 7 4.906 -1.660 4.987 19595 30 1 5 "Average Difference" HN 6 0.674 -0.342 0.636 19595 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 19595 32 1 6 "Average Difference" HA 7 0.208 0.108 0.192 19595 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19595 34 1 6 "Average Difference" CA 6 2.049 -0.219 2.231 19595 35 1 6 "Average Difference" CB 7 4.894 -1.418 5.059 19595 36 1 6 "Average Difference" HN 6 0.294 -0.137 0.286 19595 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 19595 38 1 7 "Average Difference" HA 7 0.215 0.158 0.157 19595 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19595 40 1 7 "Average Difference" CA 6 2.067 -0.576 2.175 19595 41 1 7 "Average Difference" CB 7 4.587 -1.544 4.666 19595 42 1 7 "Average Difference" HN 6 0.492 -0.368 0.357 19595 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 19595 44 1 8 "Average Difference" HA 7 0.192 0.055 0.198 19595 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19595 46 1 8 "Average Difference" CA 6 1.567 0.496 1.628 19595 47 1 8 "Average Difference" CB 7 5.577 -1.730 5.726 19595 48 1 8 "Average Difference" HN 6 0.478 0.036 0.522 19595 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 19595 50 1 9 "Average Difference" HA 7 0.179 0.061 0.182 19595 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19595 52 1 9 "Average Difference" CA 6 1.401 0.552 1.410 19595 53 1 9 "Average Difference" CB 7 5.664 -1.573 5.877 19595 54 1 9 "Average Difference" HN 6 0.578 0.063 0.630 19595 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 19595 56 1 10 "Average Difference" HA 7 0.213 0.118 0.192 19595 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19595 58 1 10 "Average Difference" CA 6 1.759 -0.477 1.854 19595 59 1 10 "Average Difference" CB 7 5.465 -1.622 5.637 19595 60 1 10 "Average Difference" HN 6 0.251 -0.111 0.247 19595 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 19595 62 1 11 "Average Difference" HA 7 0.237 0.028 0.255 19595 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19595 64 1 11 "Average Difference" CA 6 2.162 -0.828 2.188 19595 65 1 11 "Average Difference" CB 7 5.598 -1.616 5.789 19595 66 1 11 "Average Difference" HN 6 0.439 -0.274 0.376 19595 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 19595 68 1 12 "Average Difference" HA 7 0.274 -0.041 0.292 19595 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19595 70 1 12 "Average Difference" CA 6 1.386 0.619 1.359 19595 71 1 12 "Average Difference" CB 7 4.686 -1.627 4.747 19595 72 1 12 "Average Difference" HN 6 0.441 -0.321 0.331 19595 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 19595 74 1 13 "Average Difference" HA 7 0.242 0.158 0.198 19595 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19595 76 1 13 "Average Difference" CA 6 1.722 -0.472 1.814 19595 77 1 13 "Average Difference" CB 7 4.972 -1.639 5.070 19595 78 1 13 "Average Difference" HN 6 0.489 -0.272 0.445 19595 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 19595 80 1 14 "Average Difference" HA 7 0.130 0.057 0.126 19595 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19595 82 1 14 "Average Difference" CA 6 1.787 -0.703 1.800 19595 83 1 14 "Average Difference" CB 7 5.174 -1.919 5.189 19595 84 1 14 "Average Difference" HN 6 0.527 -0.300 0.474 19595 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 19595 86 1 15 "Average Difference" HA 7 0.229 0.196 0.128 19595 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19595 88 1 15 "Average Difference" CA 6 1.400 -0.447 1.454 19595 89 1 15 "Average Difference" CB 7 4.771 -1.649 4.836 19595 90 1 15 "Average Difference" HN 6 0.402 -0.175 0.397 19595 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 19595 92 1 16 "Average Difference" HA 7 0.140 0.097 0.109 19595 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19595 94 1 16 "Average Difference" CA 6 0.898 0.100 0.978 19595 95 1 16 "Average Difference" CB 7 4.782 -1.750 4.807 19595 96 1 16 "Average Difference" HN 6 0.444 -0.115 0.469 19595 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 19595 98 1 17 "Average Difference" HA 7 0.203 0.074 0.204 19595 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19595 100 1 17 "Average Difference" CA 6 1.445 -0.447 1.505 19595 101 1 17 "Average Difference" CB 7 5.216 -1.763 5.302 19595 102 1 17 "Average Difference" HN 6 0.431 -0.234 0.397 19595 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 19595 104 1 18 "Average Difference" HA 7 0.263 0.046 0.279 19595 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19595 106 1 18 "Average Difference" CA 6 1.887 -0.399 2.020 19595 107 1 18 "Average Difference" CB 7 5.138 -1.642 5.259 19595 108 1 18 "Average Difference" HN 6 0.569 -0.333 0.505 19595 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 19595 110 1 19 "Average Difference" HA 7 0.279 0.124 0.269 19595 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19595 112 1 19 "Average Difference" CA 6 1.801 -0.302 1.945 19595 113 1 19 "Average Difference" CB 7 5.413 -1.551 5.602 19595 114 1 19 "Average Difference" HN 6 0.207 -0.090 0.204 19595 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 19595 116 1 20 "Average Difference" HA 7 0.168 0.063 0.168 19595 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19595 118 1 20 "Average Difference" CA 6 1.493 -0.566 1.513 19595 119 1 20 "Average Difference" CB 7 4.880 -1.707 4.938 19595 120 1 20 "Average Difference" HN 6 0.408 -0.238 0.363 19595 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 19595 _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 TYR HA H 2 4.776 4.776 4.821 -0.045 19595 2 1 . 1 1 2 2 TYR CB C 2 38.843 38.843 38.847 -0.004 19595 3 1 . 1 1 2 2 TYR H H 2 8.991 8.991 8.425 0.566 19595 4 1 . 1 1 3 3 ILE HA H 3 4.041 4.041 4.214 -0.173 19595 5 1 . 1 1 3 3 ILE CA C 3 62.672 62.672 60.839 1.833 19595 6 1 . 1 1 3 3 ILE CB C 3 38.706 38.706 39.568 -0.862 19595 7 1 . 1 1 3 3 ILE H H 3 7.960 7.960 7.681 0.279 19595 8 1 . 1 1 4 4 GLN HA H 4 4.110 4.110 4.296 -0.186 19595 9 1 . 1 1 4 4 GLN CA C 4 57.854 57.854 56.621 1.233 19595 10 1 . 1 1 4 4 GLN CB C 4 28.542 28.542 28.850 -0.308 19595 11 1 . 1 1 4 4 GLN H H 4 8.229 8.229 8.447 -0.218 19595 12 1 . 1 1 5 5 ASN HA H 5 4.728 4.728 4.798 -0.070 19595 13 1 . 1 1 5 5 ASN CA C 5 53.112 53.112 52.987 0.125 19595 14 1 . 1 1 5 5 ASN CB C 5 38.460 38.460 39.157 -0.697 19595 15 1 . 1 1 5 5 ASN H H 5 8.339 8.339 8.124 0.215 19595 16 1 . 1 1 6 6 CYS HA H 6 4.870 4.870 4.735 0.135 19595 17 1 . 1 1 6 6 CYS CA C 6 54.068 54.068 56.528 -2.460 19595 18 1 . 1 1 6 6 CYS CB C 6 40.983 40.983 27.613 13.370 19595 19 1 . 1 1 6 6 CYS H H 6 8.218 8.218 7.899 0.319 19595 20 1 . 1 1 7 7 PRO HA H 7 4.443 4.443 4.492 -0.049 19595 21 1 . 1 1 7 7 PRO CA C 7 63.324 63.324 63.243 0.081 19595 22 1 . 1 1 7 7 PRO CB C 7 32.010 32.010 31.882 0.128 19595 23 1 . 1 1 8 8 LEU HA H 8 4.303 4.303 4.524 -0.221 19595 24 1 . 1 1 8 8 LEU CA C 8 55.409 55.409 54.922 0.487 19595 25 1 . 1 1 8 8 LEU CB C 8 42.037 42.037 42.291 -0.254 19595 26 1 . 1 1 8 8 LEU H H 8 8.488 8.488 8.480 0.008 19595 stop_ save_