data_26538 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 26538 _Entry.PDB_ID 2N0I 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 26538 _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 7 7 THR HA H 7 4.040 4.040 4.487 -0.447 26538 2 1 1 . 1 1 7 7 THR H H 7 7.430 7.430 7.842 -0.412 26538 3 1 1 . 1 1 8 8 SER HA H 8 4.190 4.190 4.190 -0.000 26538 4 1 1 . 1 1 8 8 SER H H 8 7.810 7.810 7.996 -0.186 26538 5 1 1 . 1 1 9 9 ASP HA H 9 4.390 4.390 4.582 -0.192 26538 6 1 1 . 1 1 9 9 ASP H H 9 7.960 7.960 8.078 -0.118 26538 7 1 2 . 1 1 7 7 THR HA H 7 4.040 4.040 4.030 0.010 26538 8 1 2 . 1 1 7 7 THR H H 7 7.430 7.430 8.530 -1.100 26538 9 1 2 . 1 1 8 8 SER HA H 8 4.190 4.190 4.422 -0.232 26538 10 1 2 . 1 1 8 8 SER H H 8 7.810 7.810 8.012 -0.202 26538 11 1 2 . 1 1 9 9 ASP HA H 9 4.390 4.390 4.598 -0.208 26538 12 1 2 . 1 1 9 9 ASP H H 9 7.960 7.960 8.334 -0.374 26538 13 1 3 . 1 1 7 7 THR HA H 7 4.040 4.040 3.958 0.082 26538 14 1 3 . 1 1 7 7 THR H H 7 7.430 7.430 8.588 -1.158 26538 15 1 3 . 1 1 8 8 SER HA H 8 4.190 4.190 4.225 -0.035 26538 16 1 3 . 1 1 8 8 SER H H 8 7.810 7.810 8.080 -0.270 26538 17 1 3 . 1 1 9 9 ASP HA H 9 4.390 4.390 4.745 -0.355 26538 18 1 3 . 1 1 9 9 ASP H H 9 7.960 7.960 7.753 0.207 26538 19 1 4 . 1 1 7 7 THR HA H 7 4.040 4.040 4.262 -0.222 26538 20 1 4 . 1 1 7 7 THR H H 7 7.430 7.430 7.630 -0.200 26538 21 1 4 . 1 1 8 8 SER HA H 8 4.190 4.190 4.294 -0.104 26538 22 1 4 . 1 1 8 8 SER H H 8 7.810 7.810 8.056 -0.246 26538 23 1 4 . 1 1 9 9 ASP HA H 9 4.390 4.390 4.459 -0.069 26538 24 1 4 . 1 1 9 9 ASP H H 9 7.960 7.960 7.792 0.168 26538 25 1 5 . 1 1 7 7 THR HA H 7 4.040 4.040 4.318 -0.278 26538 26 1 5 . 1 1 7 7 THR H H 7 7.430 7.430 8.375 -0.945 26538 27 1 5 . 1 1 8 8 SER HA H 8 4.190 4.190 4.177 0.013 26538 28 1 5 . 1 1 8 8 SER H H 8 7.810 7.810 8.050 -0.240 26538 29 1 5 . 1 1 9 9 ASP HA H 9 4.390 4.390 4.448 -0.058 26538 30 1 5 . 1 1 9 9 ASP H H 9 7.960 7.960 8.631 -0.671 26538 31 1 6 . 1 1 7 7 THR HA H 7 4.040 4.040 4.285 -0.245 26538 32 1 6 . 1 1 7 7 THR H H 7 7.430 7.430 7.903 -0.473 26538 33 1 6 . 1 1 8 8 SER HA H 8 4.190 4.190 3.591 0.599 26538 34 1 6 . 1 1 8 8 SER H H 8 7.810 7.810 8.158 -0.348 26538 35 1 6 . 1 1 9 9 ASP HA H 9 4.390 4.390 4.375 0.015 26538 36 1 6 . 1 1 9 9 ASP H H 9 7.960 7.960 7.560 0.400 26538 37 1 7 . 1 1 7 7 THR HA H 7 4.040 4.040 4.412 -0.372 26538 38 1 7 . 1 1 7 7 THR H H 7 7.430 7.430 8.516 -1.086 26538 39 1 7 . 1 1 8 8 SER HA H 8 4.190 4.190 4.425 -0.235 26538 40 1 7 . 1 1 8 8 SER H H 8 7.810 7.810 7.708 0.102 26538 41 1 7 . 1 1 9 9 ASP HA H 9 4.390 4.390 4.751 -0.361 26538 42 1 7 . 1 1 9 9 ASP H H 9 7.960 7.960 8.435 -0.475 26538 43 1 8 . 1 1 7 7 THR HA H 7 4.040 4.040 4.458 -0.418 26538 44 1 8 . 1 1 7 7 THR H H 7 7.430 7.430 8.517 -1.087 26538 45 1 8 . 1 1 8 8 SER HA H 8 4.190 4.190 4.261 -0.071 26538 46 1 8 . 1 1 8 8 SER H H 8 7.810 7.810 7.899 -0.089 26538 47 1 8 . 1 1 9 9 ASP HA H 9 4.390 4.390 4.593 -0.203 26538 48 1 8 . 1 1 9 9 ASP H H 9 7.960 7.960 8.478 -0.518 26538 49 1 9 . 1 1 7 7 THR HA H 7 4.040 4.040 3.683 0.357 26538 50 1 9 . 1 1 7 7 THR H H 7 7.430 7.430 8.220 -0.790 26538 51 1 9 . 1 1 8 8 SER HA H 8 4.190 4.190 4.194 -0.003 26538 52 1 9 . 1 1 8 8 SER H H 8 7.810 7.810 7.969 -0.159 26538 53 1 9 . 1 1 9 9 ASP HA H 9 4.390 4.390 4.443 -0.053 26538 54 1 9 . 1 1 9 9 ASP H H 9 7.960 7.960 7.658 0.302 26538 55 1 10 . 1 1 7 7 THR HA H 7 4.040 4.040 3.827 0.213 26538 56 1 10 . 1 1 7 7 THR H H 7 7.430 7.430 8.360 -0.930 26538 57 1 10 . 1 1 8 8 SER HA H 8 4.190 4.190 4.332 -0.142 26538 58 1 10 . 1 1 8 8 SER H H 8 7.810 7.810 8.163 -0.353 26538 59 1 10 . 1 1 9 9 ASP HA H 9 4.390 4.390 4.507 -0.117 26538 60 1 10 . 1 1 9 9 ASP H H 9 7.960 7.960 7.922 0.038 26538 61 1 11 . 1 1 7 7 THR HA H 7 4.040 4.040 3.537 0.503 26538 62 1 11 . 1 1 7 7 THR H H 7 7.430 7.430 8.327 -0.897 26538 63 1 11 . 1 1 8 8 SER HA H 8 4.190 4.190 4.187 0.003 26538 64 1 11 . 1 1 8 8 SER H H 8 7.810 7.810 7.944 -0.134 26538 65 1 11 . 1 1 9 9 ASP HA H 9 4.390 4.390 4.393 -0.003 26538 66 1 11 . 1 1 9 9 ASP H H 9 7.960 7.960 7.550 0.410 26538 67 1 12 . 1 1 7 7 THR HA H 7 4.040 4.040 4.149 -0.109 26538 68 1 12 . 1 1 7 7 THR H H 7 7.430 7.430 8.319 -0.889 26538 69 1 12 . 1 1 8 8 SER HA H 8 4.190 4.190 4.391 -0.201 26538 70 1 12 . 1 1 8 8 SER H H 8 7.810 7.810 8.088 -0.278 26538 71 1 12 . 1 1 9 9 ASP HA H 9 4.390 4.390 4.484 -0.094 26538 72 1 12 . 1 1 9 9 ASP H H 9 7.960 7.960 8.190 -0.230 26538 73 1 13 . 1 1 7 7 THR HA H 7 4.040 4.040 4.085 -0.045 26538 74 1 13 . 1 1 7 7 THR H H 7 7.430 7.430 8.478 -1.048 26538 75 1 13 . 1 1 8 8 SER HA H 8 4.190 4.190 4.185 0.005 26538 76 1 13 . 1 1 8 8 SER H H 8 7.810 7.810 8.341 -0.531 26538 77 1 13 . 1 1 9 9 ASP HA H 9 4.390 4.390 4.427 -0.037 26538 78 1 13 . 1 1 9 9 ASP H H 9 7.960 7.960 8.231 -0.271 26538 79 1 14 . 1 1 7 7 THR HA H 7 4.040 4.040 3.813 0.227 26538 80 1 14 . 1 1 7 7 THR H H 7 7.430 7.430 7.109 0.321 26538 81 1 14 . 1 1 8 8 SER HA H 8 4.190 4.190 4.250 -0.060 26538 82 1 14 . 1 1 8 8 SER H H 8 7.810 7.810 8.159 -0.349 26538 83 1 14 . 1 1 9 9 ASP HA H 9 4.390 4.390 4.624 -0.234 26538 84 1 14 . 1 1 9 9 ASP H H 9 7.960 7.960 7.984 -0.024 26538 85 1 15 . 1 1 7 7 THR HA H 7 4.040 4.040 4.583 -0.543 26538 86 1 15 . 1 1 7 7 THR H H 7 7.430 7.430 8.428 -0.998 26538 87 1 15 . 1 1 8 8 SER HA H 8 4.190 4.190 4.181 0.009 26538 88 1 15 . 1 1 8 8 SER H H 8 7.810 7.810 7.829 -0.019 26538 89 1 15 . 1 1 9 9 ASP HA H 9 4.390 4.390 4.441 -0.051 26538 90 1 15 . 1 1 9 9 ASP H H 9 7.960 7.960 8.551 -0.591 26538 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 26538 2 1 1 "Average Difference" HA 3 0.281 0.213 0.224 26538 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 26538 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 26538 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 26538 6 1 1 "Average Difference" HN 3 0.270 0.239 0.154 26538 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 26538 8 1 2 "Average Difference" HA 3 0.180 0.144 0.133 26538 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 26538 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 26538 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 26538 12 1 2 "Average Difference" HN 3 0.681 0.559 0.477 26538 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 26538 14 1 3 "Average Difference" HA 3 0.211 0.103 0.226 26538 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 26538 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 26538 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 26538 18 1 3 "Average Difference" HN 3 0.697 0.407 0.693 26538 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 26538 20 1 4 "Average Difference" HA 3 0.147 0.131 0.080 26538 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 26538 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 26538 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 26538 24 1 4 "Average Difference" HN 3 0.208 0.093 0.227 26538 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 26538 26 1 5 "Average Difference" HA 3 0.164 0.108 0.151 26538 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 26538 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 26538 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 26538 30 1 5 "Average Difference" HN 3 0.683 0.619 0.356 26538 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 26538 32 1 6 "Average Difference" HA 3 0.374 -0.123 0.432 26538 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 26538 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 26538 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 26538 36 1 6 "Average Difference" HN 3 0.410 0.140 0.472 26538 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 26538 38 1 7 "Average Difference" HA 3 0.329 0.323 0.076 26538 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 26538 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 26538 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 26538 42 1 7 "Average Difference" HN 3 0.687 0.486 0.594 26538 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 26538 44 1 8 "Average Difference" HA 3 0.271 0.231 0.175 26538 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 26538 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 26538 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 26538 48 1 8 "Average Difference" HN 3 0.697 0.565 0.500 26538 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 26538 50 1 9 "Average Difference" HA 3 0.208 -0.100 0.224 26538 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 26538 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 26538 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 26538 54 1 9 "Average Difference" HN 3 0.497 0.216 0.548 26538 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 26538 56 1 10 "Average Difference" HA 3 0.162 0.015 0.198 26538 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 26538 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 26538 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 26538 60 1 10 "Average Difference" HN 3 0.575 0.415 0.487 26538 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 26538 62 1 11 "Average Difference" HA 3 0.291 -0.168 0.291 26538 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 26538 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 26538 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 26538 66 1 11 "Average Difference" HN 3 0.574 0.207 0.656 26538 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 26538 68 1 12 "Average Difference" HA 3 0.143 0.135 0.058 26538 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 26538 70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 26538 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 26538 72 1 12 "Average Difference" HN 3 0.554 0.466 0.368 26538 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 26538 74 1 13 "Average Difference" HA 3 0.034 0.026 0.027 26538 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 26538 76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 26538 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 26538 78 1 13 "Average Difference" HN 3 0.696 0.617 0.396 26538 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 26538 80 1 14 "Average Difference" HA 3 0.191 0.023 0.233 26538 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 26538 82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 26538 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 26538 84 1 14 "Average Difference" HN 3 0.274 0.018 0.335 26538 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 26538 86 1 15 "Average Difference" HA 3 0.315 0.195 0.303 26538 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 26538 88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 26538 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 26538 90 1 15 "Average Difference" HN 3 0.670 0.536 0.492 26538 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 26538 _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 7 7 THR HA H 7 4.040 4.040 4.126 -0.086 26538 2 1 . 1 1 7 7 THR H H 7 7.430 7.430 8.209 -0.779 26538 3 1 . 1 1 8 8 SER HA H 8 4.190 4.190 4.220 -0.030 26538 4 1 . 1 1 8 8 SER H H 8 7.810 7.810 8.030 -0.220 26538 5 1 . 1 1 9 9 ASP HA H 9 4.390 4.390 4.525 -0.135 26538 6 1 . 1 1 9 9 ASP H H 9 7.960 7.960 8.076 -0.116 26538 stop_ save_