data_19470 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19470 _Entry.PDB_ID 2MD3 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 19470 _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 HA H 2 4.143 4.143 4.654 -0.511 19470 2 1 1 . 1 1 2 2 PHE H H 2 8.253 8.253 8.098 0.155 19470 3 1 1 . 1 1 3 3 GLY H H 3 8.310 8.310 8.400 -0.090 19470 4 1 1 . 1 1 4 4 LYS HA H 4 4.303 4.303 4.218 0.085 19470 5 1 1 . 1 1 4 4 LYS H H 4 8.278 8.278 8.024 0.254 19470 6 1 1 . 1 1 5 5 ASN HA H 5 4.687 4.687 4.765 -0.078 19470 7 1 1 . 1 1 5 5 ASN H H 5 8.494 8.494 8.197 0.297 19470 8 1 1 . 1 1 6 6 LYS HA H 6 4.306 4.306 4.545 -0.239 19470 9 1 1 . 1 1 6 6 LYS H H 6 8.326 8.326 7.749 0.577 19470 10 1 1 . 1 1 7 7 SER HA H 7 4.429 4.429 4.360 0.069 19470 11 1 1 . 1 1 7 7 SER H H 7 8.358 8.358 8.263 0.095 19470 12 1 2 . 1 1 2 2 PHE HA H 2 4.143 4.143 4.690 -0.547 19470 13 1 2 . 1 1 2 2 PHE H H 2 8.253 8.253 8.109 0.144 19470 14 1 2 . 1 1 3 3 GLY H H 3 8.310 8.310 8.278 0.032 19470 15 1 2 . 1 1 4 4 LYS HA H 4 4.303 4.303 4.216 0.087 19470 16 1 2 . 1 1 4 4 LYS H H 4 8.278 8.278 8.161 0.117 19470 17 1 2 . 1 1 5 5 ASN HA H 5 4.687 4.687 4.814 -0.127 19470 18 1 2 . 1 1 5 5 ASN H H 5 8.494 8.494 8.031 0.463 19470 19 1 2 . 1 1 6 6 LYS HA H 6 4.306 4.306 4.289 0.017 19470 20 1 2 . 1 1 6 6 LYS H H 6 8.326 8.326 7.453 0.873 19470 21 1 2 . 1 1 7 7 SER HA H 7 4.429 4.429 4.264 0.165 19470 22 1 2 . 1 1 7 7 SER H H 7 8.358 8.358 8.314 0.044 19470 23 1 3 . 1 1 2 2 PHE HA H 2 4.143 4.143 4.697 -0.554 19470 24 1 3 . 1 1 2 2 PHE H H 2 8.253 8.253 7.890 0.363 19470 25 1 3 . 1 1 3 3 GLY H H 3 8.310 8.310 8.018 0.292 19470 26 1 3 . 1 1 4 4 LYS HA H 4 4.303 4.303 4.178 0.125 19470 27 1 3 . 1 1 4 4 LYS H H 4 8.278 8.278 8.373 -0.095 19470 28 1 3 . 1 1 5 5 ASN HA H 5 4.687 4.687 4.816 -0.129 19470 29 1 3 . 1 1 5 5 ASN H H 5 8.494 8.494 8.368 0.126 19470 30 1 3 . 1 1 6 6 LYS HA H 6 4.306 4.306 4.489 -0.183 19470 31 1 3 . 1 1 6 6 LYS H H 6 8.326 8.326 7.739 0.587 19470 32 1 3 . 1 1 7 7 SER HA H 7 4.429 4.429 4.291 0.138 19470 33 1 3 . 1 1 7 7 SER H H 7 8.358 8.358 8.241 0.117 19470 34 1 4 . 1 1 2 2 PHE HA H 2 4.143 4.143 4.632 -0.489 19470 35 1 4 . 1 1 2 2 PHE H H 2 8.253 8.253 8.064 0.189 19470 36 1 4 . 1 1 3 3 GLY H H 3 8.310 8.310 8.331 -0.021 19470 37 1 4 . 1 1 4 4 LYS HA H 4 4.303 4.303 4.165 0.138 19470 38 1 4 . 1 1 4 4 LYS H H 4 8.278 8.278 8.185 0.093 19470 39 1 4 . 1 1 5 5 ASN HA H 5 4.687 4.687 4.861 -0.174 19470 40 1 4 . 1 1 5 5 ASN H H 5 8.494 8.494 8.058 0.436 19470 41 1 4 . 1 1 6 6 LYS HA H 6 4.306 4.306 4.077 0.229 19470 42 1 4 . 1 1 6 6 LYS H H 6 8.326 8.326 7.818 0.508 19470 43 1 4 . 1 1 7 7 SER HA H 7 4.429 4.429 4.442 -0.013 19470 44 1 4 . 1 1 7 7 SER H H 7 8.358 8.358 8.136 0.222 19470 45 1 5 . 1 1 2 2 PHE HA H 2 4.143 4.143 4.431 -0.288 19470 46 1 5 . 1 1 2 2 PHE H H 2 8.253 8.253 8.263 -0.010 19470 47 1 5 . 1 1 3 3 GLY H H 3 8.310 8.310 8.601 -0.291 19470 48 1 5 . 1 1 4 4 LYS HA H 4 4.303 4.303 4.189 0.114 19470 49 1 5 . 1 1 4 4 LYS H H 4 8.278 8.278 7.745 0.533 19470 50 1 5 . 1 1 5 5 ASN HA H 5 4.687 4.687 4.862 -0.175 19470 51 1 5 . 1 1 5 5 ASN H H 5 8.494 8.494 7.630 0.864 19470 52 1 5 . 1 1 6 6 LYS HA H 6 4.306 4.306 4.221 0.085 19470 53 1 5 . 1 1 6 6 LYS H H 6 8.326 8.326 7.538 0.788 19470 54 1 5 . 1 1 7 7 SER HA H 7 4.429 4.429 4.256 0.173 19470 55 1 5 . 1 1 7 7 SER H H 7 8.358 8.358 8.514 -0.156 19470 56 1 6 . 1 1 2 2 PHE HA H 2 4.143 4.143 4.800 -0.657 19470 57 1 6 . 1 1 2 2 PHE H H 2 8.253 8.253 8.269 -0.016 19470 58 1 6 . 1 1 3 3 GLY H H 3 8.310 8.310 8.184 0.126 19470 59 1 6 . 1 1 4 4 LYS HA H 4 4.303 4.303 4.225 0.078 19470 60 1 6 . 1 1 4 4 LYS H H 4 8.278 8.278 8.165 0.113 19470 61 1 6 . 1 1 5 5 ASN HA H 5 4.687 4.687 4.655 0.032 19470 62 1 6 . 1 1 5 5 ASN H H 5 8.494 8.494 8.224 0.270 19470 63 1 6 . 1 1 6 6 LYS HA H 6 4.306 4.306 4.224 0.082 19470 64 1 6 . 1 1 6 6 LYS H H 6 8.326 8.326 7.518 0.808 19470 65 1 6 . 1 1 7 7 SER HA H 7 4.429 4.429 4.338 0.091 19470 66 1 6 . 1 1 7 7 SER H H 7 8.358 8.358 8.498 -0.140 19470 67 1 7 . 1 1 2 2 PHE HA H 2 4.143 4.143 4.848 -0.705 19470 68 1 7 . 1 1 2 2 PHE H H 2 8.253 8.253 8.295 -0.042 19470 69 1 7 . 1 1 3 3 GLY H H 3 8.310 8.310 8.053 0.257 19470 70 1 7 . 1 1 4 4 LYS HA H 4 4.303 4.303 4.131 0.172 19470 71 1 7 . 1 1 4 4 LYS H H 4 8.278 8.278 8.240 0.038 19470 72 1 7 . 1 1 5 5 ASN HA H 5 4.687 4.687 4.757 -0.070 19470 73 1 7 . 1 1 5 5 ASN H H 5 8.494 8.494 7.967 0.527 19470 74 1 7 . 1 1 6 6 LYS HA H 6 4.306 4.306 3.291 1.015 19470 75 1 7 . 1 1 6 6 LYS H H 6 8.326 8.326 7.255 1.071 19470 76 1 7 . 1 1 7 7 SER HA H 7 4.429 4.429 4.212 0.217 19470 77 1 7 . 1 1 7 7 SER H H 7 8.358 8.358 8.092 0.266 19470 78 1 8 . 1 1 2 2 PHE HA H 2 4.143 4.143 4.654 -0.511 19470 79 1 8 . 1 1 2 2 PHE H H 2 8.253 8.253 8.116 0.137 19470 80 1 8 . 1 1 3 3 GLY H H 3 8.310 8.310 8.317 -0.007 19470 81 1 8 . 1 1 4 4 LYS HA H 4 4.303 4.303 4.249 0.054 19470 82 1 8 . 1 1 4 4 LYS H H 4 8.278 8.278 8.109 0.169 19470 83 1 8 . 1 1 5 5 ASN HA H 5 4.687 4.687 4.820 -0.133 19470 84 1 8 . 1 1 5 5 ASN H H 5 8.494 8.494 8.226 0.268 19470 85 1 8 . 1 1 6 6 LYS HA H 6 4.306 4.306 4.404 -0.098 19470 86 1 8 . 1 1 6 6 LYS H H 6 8.326 8.326 7.567 0.759 19470 87 1 8 . 1 1 7 7 SER HA H 7 4.429 4.429 4.441 -0.012 19470 88 1 8 . 1 1 7 7 SER H H 7 8.358 8.358 8.411 -0.053 19470 89 1 9 . 1 1 2 2 PHE HA H 2 4.143 4.143 4.738 -0.595 19470 90 1 9 . 1 1 2 2 PHE H H 2 8.253 8.253 7.753 0.500 19470 91 1 9 . 1 1 3 3 GLY H H 3 8.310 8.310 8.125 0.185 19470 92 1 9 . 1 1 4 4 LYS HA H 4 4.303 4.303 4.187 0.116 19470 93 1 9 . 1 1 4 4 LYS H H 4 8.278 8.278 8.496 -0.218 19470 94 1 9 . 1 1 5 5 ASN HA H 5 4.687 4.687 4.918 -0.231 19470 95 1 9 . 1 1 5 5 ASN H H 5 8.494 8.494 8.226 0.268 19470 96 1 9 . 1 1 6 6 LYS HA H 6 4.306 4.306 4.250 0.056 19470 97 1 9 . 1 1 6 6 LYS H H 6 8.326 8.326 7.861 0.465 19470 98 1 9 . 1 1 7 7 SER HA H 7 4.429 4.429 4.328 0.101 19470 99 1 9 . 1 1 7 7 SER H H 7 8.358 8.358 8.541 -0.183 19470 100 1 10 . 1 1 2 2 PHE HA H 2 4.143 4.143 4.716 -0.573 19470 101 1 10 . 1 1 2 2 PHE H H 2 8.253 8.253 8.022 0.231 19470 102 1 10 . 1 1 3 3 GLY H H 3 8.310 8.310 7.955 0.355 19470 103 1 10 . 1 1 4 4 LYS HA H 4 4.303 4.303 4.191 0.112 19470 104 1 10 . 1 1 4 4 LYS H H 4 8.278 8.278 8.305 -0.027 19470 105 1 10 . 1 1 5 5 ASN HA H 5 4.687 4.687 4.839 -0.152 19470 106 1 10 . 1 1 5 5 ASN H H 5 8.494 8.494 8.321 0.173 19470 107 1 10 . 1 1 6 6 LYS HA H 6 4.306 4.306 4.540 -0.234 19470 108 1 10 . 1 1 6 6 LYS H H 6 8.326 8.326 7.758 0.568 19470 109 1 10 . 1 1 7 7 SER HA H 7 4.429 4.429 4.459 -0.030 19470 110 1 10 . 1 1 7 7 SER H H 7 8.358 8.358 8.297 0.061 19470 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 19470 2 1 1 "Average Difference" HA 7 0.225 0.124 0.203 19470 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19470 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 19470 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 19470 6 1 1 "Average Difference" HN 6 0.296 -0.215 0.224 19470 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 19470 8 1 2 "Average Difference" HA 7 0.243 0.007 0.263 19470 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19470 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 19470 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 19470 12 1 2 "Average Difference" HN 6 0.411 -0.279 0.331 19470 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 19470 14 1 3 "Average Difference" HA 7 0.277 0.163 0.242 19470 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19470 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 19470 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 19470 18 1 3 "Average Difference" HN 6 0.316 -0.232 0.236 19470 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 19470 20 1 4 "Average Difference" HA 7 0.276 0.132 0.261 19470 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19470 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 19470 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 19470 24 1 4 "Average Difference" HN 6 0.301 -0.238 0.201 19470 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 19470 26 1 5 "Average Difference" HA 7 0.172 -0.029 0.183 19470 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19470 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 19470 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 19470 30 1 5 "Average Difference" HN 6 0.542 -0.288 0.503 19470 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 19470 32 1 6 "Average Difference" HA 7 0.266 0.012 0.287 19470 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19470 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 19470 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 19470 36 1 6 "Average Difference" HN 6 0.359 -0.193 0.331 19470 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 19470 38 1 7 "Average Difference" HA 7 0.481 -0.108 0.506 19470 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19470 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 19470 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 19470 42 1 7 "Average Difference" HN 6 0.511 -0.353 0.405 19470 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 19470 44 1 8 "Average Difference" HA 7 0.215 0.137 0.180 19470 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19470 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 19470 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 19470 48 1 8 "Average Difference" HN 6 0.341 -0.212 0.293 19470 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 19470 50 1 9 "Average Difference" HA 7 0.257 0.113 0.249 19470 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19470 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 19470 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 19470 54 1 9 "Average Difference" HN 6 0.330 -0.170 0.310 19470 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 19470 56 1 10 "Average Difference" HA 7 0.277 0.194 0.213 19470 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19470 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 19470 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 19470 60 1 10 "Average Difference" HN 6 0.299 -0.227 0.213 19470 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 19470 _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 HA H 2 4.143 4.143 4.686 -0.543 19470 2 1 . 1 1 2 2 PHE H H 2 8.253 8.253 8.088 0.165 19470 3 1 . 1 1 3 3 GLY H H 3 8.310 8.310 8.226 0.084 19470 4 1 . 1 1 4 4 LYS HA H 4 4.303 4.303 4.195 0.108 19470 5 1 . 1 1 4 4 LYS H H 4 8.278 8.278 8.180 0.098 19470 6 1 . 1 1 5 5 ASN HA H 5 4.687 4.687 4.811 -0.124 19470 7 1 . 1 1 5 5 ASN H H 5 8.494 8.494 8.125 0.369 19470 8 1 . 1 1 6 6 LYS HA H 6 4.306 4.306 4.233 0.073 19470 9 1 . 1 1 6 6 LYS H H 6 8.326 8.326 7.626 0.700 19470 10 1 . 1 1 7 7 SER HA H 7 4.429 4.429 4.339 0.090 19470 11 1 . 1 1 7 7 SER H H 7 8.358 8.358 8.331 0.027 19470 stop_ save_