NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
439294 | 2k6a | 15863 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k6a save_distance_constraint_statistics_1 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 1 _Distance_constraint_stats_list.Constraint_count 698 _Distance_constraint_stats_list.Viol_count 268 _Distance_constraint_stats_list.Viol_total 575.013 _Distance_constraint_stats_list.Viol_max 0.801 _Distance_constraint_stats_list.Viol_rms 0.0259 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0021 _Distance_constraint_stats_list.Viol_average_violations_only 0.1073 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details ; Description of the tags in this list: * 1 * Administrative tag * 2 * Administrative tag * 3 * Administrative tag * 4 * ID of the restraint list. * 5 * Number of restraints in list. * 6 * Number of violated restraints (each model violation is used). * 7 * Sum of violations in Angstrom. * 8 * Maximum violation of a restraint without averaging in any way. * 9 * Rms of violations over all restraints. * 10 * Average violation over all restraints. * 11 * Average violation over violated restraints. This violation is averaged over only those models in which the restraint is violated. These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998). * 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table. * 13 * This tag Description of the tags in the per residue table below: * 1 * Chain identifier (can be absent if none defined) * 2 * Residue number * 3 * Residue name * 4 * Maximum violation in ensemble of models (without any averaging) * 5 * Model number with the maximum violation * 6 * Number of models with a violation above cutoff * 7 * List of models (1 character per model) with a violation above cutoff. An '*' marks a violation above the cutoff. A '+' indicates the largest violation above the cutoff and a '-' marks the smallest violation over cutoff. For models 5, 15, 25,... a ' ' is replaced by a '.'. For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1. * 8 * Administrative tag * 9 * Administrative tag Description of the tags in the per restraint table below: * 1 * Restraint ID within restraint list. First node, FIRST member, first atom's: * 2 * Chain identifier (can be absent if none defined) * 3 * Residue number * 4 * Residue name * 5 * Name of (pseudo-)atom First node, SECOND member, first atom's: * 6 * Chain identifier (can be absent if none defined) * 7 * Residue number * 8 * Residue name * 9 * Name of (pseudo-)atom FIRST node's: * 10 * Target distance value (Angstrom) * 11 * Lower bound distance (Angstrom) * 12 * Upper bound distance (Angstrom) * 13 * Average distance in ensemble of models * 14 * Minimum distance in ensemble of models * 15 * Maximum distance in ensemble of models * 16 * Maximum violation (without any averaging) * 17 * Model number with the maximum violation * 18 * Number of models with a violation above cutoff * 19 * List of models with a violation above cutoff. See description above. * 20 * Administrative tag * 21 * Administrative tag ; loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 1 SER 1.662 0.596 6 1 "[ .+ 1 . 2]" 1 2 ALA 1.662 0.596 6 1 "[ .+ 1 . 2]" 1 3 THR 1.587 0.264 3 0 "[ . 1 . 2]" 1 4 THR 1.579 0.347 1 0 "[ . 1 . 2]" 1 5 ILE 5.117 0.801 11 5 "[ . ** 1+ * -2]" 1 6 GLY 0.341 0.341 17 0 "[ . 1 . 2]" 1 7 PRO 0.056 0.056 10 0 "[ . 1 . 2]" 1 8 ASN 0.446 0.119 4 0 "[ . 1 . 2]" 1 9 THR 1.448 0.526 19 1 "[ . 1 . +2]" 1 10 CYS 0.003 0.003 2 0 "[ . 1 . 2]" 1 11 SER 0.217 0.217 19 0 "[ . 1 . 2]" 1 12 ILE 0.311 0.074 13 0 "[ . 1 . 2]" 1 13 ASP 0.038 0.038 4 0 "[ . 1 . 2]" 1 14 ASP 0.027 0.027 5 0 "[ . 1 . 2]" 1 15 TYR 1.025 0.363 4 0 "[ . 1 . 2]" 1 16 LYS 0.586 0.310 11 0 "[ . 1 . 2]" 1 17 PRO 1.038 0.363 4 0 "[ . 1 . 2]" 1 18 TYR 0.062 0.028 5 0 "[ . 1 . 2]" 1 19 CYS 0.270 0.270 8 0 "[ . 1 . 2]" 1 20 CYS 0.668 0.546 6 1 "[ .+ 1 . 2]" 1 21 GLN 0.360 0.155 7 0 "[ . 1 . 2]" 1 22 SER 0.538 0.538 8 1 "[ . + 1 . 2]" 1 23 MET 1.211 0.363 4 0 "[ . 1 . 2]" 1 24 SER 0.088 0.057 10 0 "[ . 1 . 2]" 1 25 GLY 0.030 0.030 7 0 "[ . 1 . 2]" 1 26 SER 1.372 0.538 8 1 "[ . + 1 . 2]" 1 27 ALA 0.217 0.217 19 0 "[ . 1 . 2]" 1 28 SER 1.137 0.363 4 0 "[ . 1 . 2]" 1 29 LEU 1.318 0.546 6 2 "[ .+ - 1 . 2]" 1 30 GLY 0.281 0.155 7 0 "[ . 1 . 2]" 1 31 CYS 0.092 0.032 10 0 "[ . 1 . 2]" 1 32 VAL 0.270 0.270 8 0 "[ . 1 . 2]" 1 33 VAL 0.175 0.044 18 0 "[ . 1 . 2]" 1 34 GLY 0.177 0.037 11 0 "[ . 1 . 2]" 1 35 VAL 1.580 0.801 11 2 "[ . 1+ . -2]" 1 36 ILE 0.941 0.440 12 0 "[ . 1 . 2]" 1 37 GLY 0.341 0.341 17 0 "[ . 1 . 2]" 1 38 SER 0.230 0.097 17 0 "[ . 1 . 2]" 1 39 GLN 0.593 0.347 1 0 "[ . 1 . 2]" 1 40 CYS 3.542 0.763 15 3 "[ . -* 1 + 2]" 1 41 GLY 0.190 0.073 3 0 "[ . 1 . 2]" 1 42 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 43 SER 0.056 0.032 2 0 "[ . 1 . 2]" 1 44 VAL 0.130 0.088 14 0 "[ . 1 . 2]" 1 45 LYS 0.625 0.127 1 0 "[ . 1 . 2]" 1 46 CYS 0.546 0.127 1 0 "[ . 1 . 2]" 1 47 CYS 1.421 0.410 14 0 "[ . 1 . 2]" 1 48 LYS 1.424 0.151 16 0 "[ . 1 . 2]" 1 49 ASP 3.372 0.634 16 1 "[ . 1 .+ 2]" 1 50 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 51 VAL 0.115 0.067 6 0 "[ . 1 . 2]" 1 52 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 53 ASN 2.125 0.383 8 0 "[ . 1 . 2]" 1 54 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 55 GLY 0.538 0.538 8 1 "[ . + 1 . 2]" 1 56 ASN 0.640 0.364 16 0 "[ . 1 . 2]" 1 57 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 58 PHE 0.210 0.062 4 0 "[ . 1 . 2]" 1 59 LEU 0.657 0.538 8 1 "[ . + 1 . 2]" 1 60 ILE 0.088 0.060 19 0 "[ . 1 . 2]" 1 61 ILE 0.160 0.088 14 0 "[ . 1 . 2]" 1 62 ASN 4.943 0.706 1 3 "[+ - 1 .* 2]" 1 63 ALA 0.295 0.119 3 0 "[ . 1 . 2]" 1 64 ALA 2.782 0.657 16 1 "[ . 1 .+ 2]" 1 65 ASN 3.672 0.706 1 2 "[+ - 1 . 2]" 1 66 CYS 3.295 0.410 14 0 "[ . 1 . 2]" 1 67 VAL 0.441 0.127 1 0 "[ . 1 . 2]" 1 68 ALA 0.529 0.127 1 0 "[ . 1 . 2]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 1 SER HA 1 2 ALA H 3.100 . 4.800 2.991 2.148 3.574 . 0 0 "[ . 1 . 2]" 1 2 1 1 SER HB2 1 2 ALA H 6.000 . 6.000 2.587 1.476 3.868 . 0 0 "[ . 1 . 2]" 1 3 1 1 SER HB3 1 2 ALA H 2.400 . 3.600 3.276 2.356 4.196 0.596 6 1 "[ .+ 1 . 2]" 1 4 1 2 ALA H 1 3 THR H 4.800 . 6.000 4.310 3.924 4.562 . 0 0 "[ . 1 . 2]" 1 5 1 2 ALA HA 1 3 THR H 2.300 . 3.500 2.239 2.113 2.698 . 0 0 "[ . 1 . 2]" 1 6 1 2 ALA HA 1 41 GLY H 5.100 . 6.000 4.198 2.669 5.264 . 0 0 "[ . 1 . 2]" 1 7 1 2 ALA HA 1 41 GLY HA2 6.000 . 6.000 2.337 1.664 3.490 . 0 0 "[ . 1 . 2]" 1 8 1 3 THR H 1 4 THR H 4.400 . 6.000 3.942 2.208 4.576 . 0 0 "[ . 1 . 2]" 1 9 1 3 THR H 1 39 GLN HB2 6.000 . 6.000 5.271 4.815 5.818 . 0 0 "[ . 1 . 2]" 1 10 1 3 THR H 1 40 CYS H 3.200 . 5.000 3.832 3.331 4.685 . 0 0 "[ . 1 . 2]" 1 11 1 3 THR H 1 40 CYS HA 6.000 . 6.000 5.114 4.411 6.015 0.015 5 0 "[ . 1 . 2]" 1 12 1 3 THR H 1 40 CYS HB2 4.000 . 6.000 4.329 3.220 6.034 0.034 3 0 "[ . 1 . 2]" 1 13 1 3 THR H 1 40 CYS HB3 5.600 . 6.000 4.355 3.137 6.017 0.017 3 0 "[ . 1 . 2]" 1 14 1 3 THR HA 1 4 THR H 2.300 . 3.500 2.486 2.115 3.529 0.029 16 0 "[ . 1 . 2]" 1 15 1 3 THR HA 1 40 CYS H 4.800 . 6.000 5.199 4.742 6.035 0.035 2 0 "[ . 1 . 2]" 1 16 1 3 THR HB 1 4 THR H 2.300 . 3.500 3.449 2.827 3.659 0.159 1 0 "[ . 1 . 2]" 1 17 1 3 THR HB 1 40 CYS H 3.800 . 6.000 4.279 3.643 5.291 . 0 0 "[ . 1 . 2]" 1 18 1 3 THR HB 1 40 CYS HB2 3.300 . 5.200 4.062 2.797 5.464 0.264 3 0 "[ . 1 . 2]" 1 19 1 3 THR HB 1 40 CYS HB3 4.800 . 6.000 4.556 2.951 6.019 0.019 16 0 "[ . 1 . 2]" 1 20 1 4 THR H 1 4 THR HB 3.100 . 4.800 3.135 2.673 3.819 . 0 0 "[ . 1 . 2]" 1 21 1 4 THR HA 1 5 ILE H 2.400 . 3.600 2.216 2.141 2.487 . 0 0 "[ . 1 . 2]" 1 22 1 4 THR HA 1 5 ILE HA 6.000 . 6.000 3.728 3.654 3.812 . 0 0 "[ . 1 . 2]" 1 23 1 4 THR HA 1 5 ILE HG12 4.600 . 6.000 4.748 3.620 5.495 . 0 0 "[ . 1 . 2]" 1 24 1 4 THR HA 1 39 GLN H 4.700 . 6.000 4.522 3.739 5.293 . 0 0 "[ . 1 . 2]" 1 25 1 4 THR HA 1 39 GLN HA 3.100 . 4.800 2.289 1.579 2.948 . 0 0 "[ . 1 . 2]" 1 26 1 4 THR HA 1 39 GLN HE21 6.000 . 6.000 4.628 2.922 6.347 0.347 1 0 "[ . 1 . 2]" 1 27 1 4 THR HA 1 39 GLN HG2 3.700 . 5.900 4.328 2.581 6.026 0.126 17 0 "[ . 1 . 2]" 1 28 1 4 THR HA 1 39 GLN HG3 4.700 . 6.000 3.864 2.060 6.005 0.005 15 0 "[ . 1 . 2]" 1 29 1 4 THR HA 1 40 CYS H 3.200 . 4.900 3.170 1.432 4.400 0.068 17 0 "[ . 1 . 2]" 1 30 1 4 THR HB 1 5 ILE H 6.000 . 6.000 4.053 3.174 4.417 . 0 0 "[ . 1 . 2]" 1 31 1 4 THR HB 1 36 ILE HA 5.400 . 6.000 5.103 4.628 5.800 . 0 0 "[ . 1 . 2]" 1 32 1 5 ILE H 1 5 ILE HA 3.000 . 4.600 2.908 2.837 2.946 . 0 0 "[ . 1 . 2]" 1 33 1 5 ILE H 1 5 ILE HB 2.900 . 4.500 3.588 3.003 3.808 . 0 0 "[ . 1 . 2]" 1 34 1 5 ILE H 1 5 ILE HG12 3.700 . 5.900 3.071 2.196 4.540 . 0 0 "[ . 1 . 2]" 1 35 1 5 ILE H 1 5 ILE HG13 2.900 . 4.500 3.142 1.478 4.424 . 0 0 "[ . 1 . 2]" 1 36 1 5 ILE H 1 6 GLY H 5.400 . 6.000 4.505 4.050 4.616 . 0 0 "[ . 1 . 2]" 1 37 1 5 ILE H 1 37 GLY HA2 5.400 . 6.000 4.190 3.652 4.483 . 0 0 "[ . 1 . 2]" 1 38 1 5 ILE H 1 38 SER H 4.800 . 6.000 3.737 3.182 4.792 . 0 0 "[ . 1 . 2]" 1 39 1 5 ILE H 1 39 GLN HA 3.600 . 5.700 3.430 1.587 4.242 . 0 0 "[ . 1 . 2]" 1 40 1 5 ILE HA 1 6 GLY H 2.200 . 3.300 2.251 2.139 2.417 . 0 0 "[ . 1 . 2]" 1 41 1 5 ILE HA 1 37 GLY H 4.300 . 6.000 4.979 4.712 5.552 . 0 0 "[ . 1 . 2]" 1 42 1 5 ILE HA 1 40 CYS H 5.000 . 6.000 4.403 3.818 5.266 . 0 0 "[ . 1 . 2]" 1 43 1 5 ILE HB 1 6 GLY H 3.800 . 6.000 3.045 2.373 4.401 . 0 0 "[ . 1 . 2]" 1 44 1 5 ILE HB 1 9 THR H 5.300 . 6.000 4.566 3.416 6.060 0.060 11 0 "[ . 1 . 2]" 1 45 1 5 ILE HB 1 37 GLY H 6.000 . 6.000 5.281 4.242 5.782 . 0 0 "[ . 1 . 2]" 1 46 1 5 ILE HB 1 38 SER H 3.600 . 5.700 5.363 4.774 5.797 0.097 17 0 "[ . 1 . 2]" 1 47 1 5 ILE HG12 1 6 GLY H 6.000 . 6.000 4.789 3.992 5.809 . 0 0 "[ . 1 . 2]" 1 48 1 5 ILE HG13 1 6 GLY H 5.400 . 6.000 3.570 2.352 5.008 . 0 0 "[ . 1 . 2]" 1 49 1 5 ILE HG13 1 9 THR H 5.600 . 6.000 5.574 3.824 6.526 0.526 19 1 "[ . 1 . +2]" 1 50 1 5 ILE HG13 1 35 VAL H 5.300 . 6.000 5.091 4.026 6.801 0.801 11 2 "[ . 1+ . -2]" 1 51 1 5 ILE HG13 1 40 CYS H 5.400 . 6.000 5.743 3.685 6.763 0.763 15 3 "[ . -* 1 + 2]" 1 52 1 6 GLY H 1 6 GLY HA2 2.500 . 3.800 2.925 2.870 2.952 . 0 0 "[ . 1 . 2]" 1 53 1 6 GLY H 1 7 PRO HD2 4.500 . 6.000 4.275 3.452 5.257 . 0 0 "[ . 1 . 2]" 1 54 1 6 GLY H 1 9 THR H 3.600 . 5.700 4.427 3.075 5.247 . 0 0 "[ . 1 . 2]" 1 55 1 6 GLY HA2 1 7 PRO HD2 3.200 . 5.000 3.685 3.190 4.263 . 0 0 "[ . 1 . 2]" 1 56 1 6 GLY HA2 1 7 PRO HD3 6.000 . 6.000 2.815 2.016 3.320 . 0 0 "[ . 1 . 2]" 1 57 1 6 GLY HA2 1 36 ILE HA 3.700 . 5.900 3.282 1.864 4.099 . 0 0 "[ . 1 . 2]" 1 58 1 6 GLY HA2 1 36 ILE HB 4.100 . 6.000 4.326 3.640 4.974 . 0 0 "[ . 1 . 2]" 1 59 1 6 GLY HA2 1 37 GLY H 4.200 . 6.000 2.894 1.912 4.388 . 0 0 "[ . 1 . 2]" 1 60 1 6 GLY HA3 1 7 PRO HD2 2.500 . 3.800 2.462 2.141 3.066 . 0 0 "[ . 1 . 2]" 1 61 1 6 GLY HA3 1 7 PRO HD3 3.300 . 5.200 2.321 1.720 2.934 . 0 0 "[ . 1 . 2]" 1 62 1 6 GLY HA3 1 37 GLY H 6.000 . 6.000 4.491 3.461 6.341 0.341 17 0 "[ . 1 . 2]" 1 63 1 7 PRO HA 1 8 ASN H 3.300 . 5.100 3.016 2.416 3.509 . 0 0 "[ . 1 . 2]" 1 64 1 7 PRO HA 1 9 THR H 4.500 . 6.000 5.048 3.903 6.056 0.056 10 0 "[ . 1 . 2]" 1 65 1 7 PRO HB2 1 7 PRO HD3 3.100 . 4.800 3.974 3.946 4.024 . 0 0 "[ . 1 . 2]" 1 66 1 7 PRO HB2 1 8 ASN H 3.700 . 5.900 3.904 2.858 4.309 . 0 0 "[ . 1 . 2]" 1 67 1 7 PRO HB3 1 7 PRO HD2 3.700 . 5.900 3.886 3.871 3.909 . 0 0 "[ . 1 . 2]" 1 68 1 7 PRO HB3 1 7 PRO HD3 4.000 . 6.000 3.506 3.039 4.022 . 0 0 "[ . 1 . 2]" 1 69 1 7 PRO HB3 1 8 ASN H 5.100 . 6.000 4.429 4.062 4.628 . 0 0 "[ . 1 . 2]" 1 70 1 7 PRO HD2 1 8 ASN H 3.900 . 6.000 3.310 1.985 4.663 . 0 0 "[ . 1 . 2]" 1 71 1 7 PRO HD3 1 7 PRO QG 2.400 . 3.600 2.199 2.185 2.217 . 0 0 "[ . 1 . 2]" 1 72 1 7 PRO HD3 1 8 ASN H 3.600 . 5.700 4.249 3.470 5.125 . 0 0 "[ . 1 . 2]" 1 73 1 7 PRO HD3 1 37 GLY H 5.400 . 6.000 4.290 3.785 4.900 . 0 0 "[ . 1 . 2]" 1 74 1 7 PRO QG 1 8 ASN H 6.000 . 6.000 3.883 2.421 4.945 . 0 0 "[ . 1 . 2]" 1 75 1 8 ASN H 1 8 ASN HB3 3.500 . 5.500 3.329 2.946 3.956 . 0 0 "[ . 1 . 2]" 1 76 1 8 ASN H 1 9 THR H 2.800 . 4.300 3.067 1.557 4.072 . 0 0 "[ . 1 . 2]" 1 77 1 8 ASN H 1 9 THR H 2.400 . 3.600 2.371 1.543 3.089 . 0 0 "[ . 1 . 2]" 1 78 1 8 ASN H 1 9 THR HB 6.000 . 6.000 5.666 4.208 6.119 0.119 4 0 "[ . 1 . 2]" 1 79 1 8 ASN HA 1 8 ASN HB2 2.800 . 4.300 2.544 2.240 2.747 . 0 0 "[ . 1 . 2]" 1 80 1 8 ASN HA 1 8 ASN HB3 2.600 . 4.000 2.909 2.336 3.029 . 0 0 "[ . 1 . 2]" 1 81 1 8 ASN HA 1 9 THR H 3.000 . 4.600 2.481 2.089 3.386 . 0 0 "[ . 1 . 2]" 1 82 1 8 ASN HB2 1 9 THR H 5.400 . 6.000 4.490 4.074 4.682 . 0 0 "[ . 1 . 2]" 1 83 1 8 ASN HB3 1 9 THR H 4.500 . 6.000 4.312 3.761 4.661 . 0 0 "[ . 1 . 2]" 1 84 1 9 THR H 1 9 THR HA 3.000 . 4.600 2.891 2.865 2.946 . 0 0 "[ . 1 . 2]" 1 85 1 9 THR H 1 9 THR HB 2.400 . 3.600 2.942 2.627 3.354 . 0 0 "[ . 1 . 2]" 1 86 1 9 THR H 1 10 CYS H 2.800 . 4.300 2.573 2.205 3.375 . 0 0 "[ . 1 . 2]" 1 87 1 9 THR HA 1 9 THR HB 2.300 . 3.500 2.947 2.772 3.020 . 0 0 "[ . 1 . 2]" 1 88 1 9 THR HA 1 10 CYS H 6.000 . 6.000 3.336 2.534 3.569 . 0 0 "[ . 1 . 2]" 1 89 1 9 THR HB 1 10 CYS H 6.000 . 6.000 3.195 1.695 4.389 . 0 0 "[ . 1 . 2]" 1 90 1 9 THR HB 1 17 PRO HB2 5.300 . 6.000 4.037 3.173 5.248 . 0 0 "[ . 1 . 2]" 1 91 1 9 THR HB 1 17 PRO QG 6.000 . 6.000 3.914 2.461 5.220 . 0 0 "[ . 1 . 2]" 1 92 1 10 CYS H 1 10 CYS HB2 3.400 . 5.300 2.638 2.269 3.372 . 0 0 "[ . 1 . 2]" 1 93 1 10 CYS H 1 10 CYS HB3 3.700 . 5.900 3.525 2.883 3.812 . 0 0 "[ . 1 . 2]" 1 94 1 10 CYS H 1 17 PRO HA 6.000 . 6.000 5.002 3.560 6.003 0.003 2 0 "[ . 1 . 2]" 1 95 1 10 CYS H 1 17 PRO HD3 4.200 . 6.000 4.095 2.304 5.273 . 0 0 "[ . 1 . 2]" 1 96 1 10 CYS HA 1 10 CYS HB2 3.000 . 4.600 2.914 2.506 3.026 . 0 0 "[ . 1 . 2]" 1 97 1 10 CYS HA 1 10 CYS HB3 2.600 . 3.900 2.683 2.421 3.027 . 0 0 "[ . 1 . 2]" 1 98 1 10 CYS HA 1 11 SER H 2.600 . 3.900 2.480 2.127 3.496 . 0 0 "[ . 1 . 2]" 1 99 1 10 CYS HA 1 12 ILE H 4.300 . 6.000 4.129 3.525 5.183 . 0 0 "[ . 1 . 2]" 1 100 1 10 CYS HA 1 46 CYS HB2 3.800 . 6.000 4.688 4.137 5.233 . 0 0 "[ . 1 . 2]" 1 101 1 10 CYS HB2 1 11 SER H 6.000 . 6.000 4.277 2.386 4.667 . 0 0 "[ . 1 . 2]" 1 102 1 10 CYS HB2 1 12 ILE H 4.900 . 6.000 4.394 3.853 5.471 . 0 0 "[ . 1 . 2]" 1 103 1 10 CYS HB2 1 16 LYS HA 3.900 . 6.000 4.243 2.964 5.961 . 0 0 "[ . 1 . 2]" 1 104 1 10 CYS HB2 1 17 PRO HD3 3.600 . 5.700 3.565 2.637 5.680 . 0 0 "[ . 1 . 2]" 1 105 1 10 CYS HB3 1 11 SER H 3.600 . 5.700 3.865 1.700 4.449 . 0 0 "[ . 1 . 2]" 1 106 1 10 CYS HB3 1 12 ILE H 3.700 . 5.900 3.903 2.871 5.499 . 0 0 "[ . 1 . 2]" 1 107 1 10 CYS HB3 1 16 LYS HA 4.800 . 6.000 4.455 3.341 5.966 . 0 0 "[ . 1 . 2]" 1 108 1 10 CYS HB3 1 17 PRO HA 6.000 . 6.000 4.243 2.325 5.461 . 0 0 "[ . 1 . 2]" 1 109 1 10 CYS HB3 1 17 PRO HD3 4.400 . 6.000 4.292 2.281 5.354 . 0 0 "[ . 1 . 2]" 1 110 1 10 CYS HB3 1 46 CYS HA 4.300 . 6.000 3.956 2.551 5.137 . 0 0 "[ . 1 . 2]" 1 111 1 11 SER H 1 11 SER HB3 3.500 . 5.500 3.607 3.243 3.939 . 0 0 "[ . 1 . 2]" 1 112 1 11 SER H 1 12 ILE H 3.100 . 4.800 3.246 2.024 3.994 . 0 0 "[ . 1 . 2]" 1 113 1 11 SER H 1 17 PRO HD3 5.400 . 6.000 5.122 3.640 6.217 0.217 19 0 "[ . 1 . 2]" 1 114 1 11 SER HA 1 11 SER HB2 2.800 . 4.300 2.923 2.719 3.027 . 0 0 "[ . 1 . 2]" 1 115 1 11 SER HA 1 12 ILE H 3.000 . 4.600 2.640 2.167 3.555 . 0 0 "[ . 1 . 2]" 1 116 1 11 SER HB2 1 12 ILE H 4.700 . 6.000 4.194 2.481 4.453 . 0 0 "[ . 1 . 2]" 1 117 1 11 SER HB3 1 12 ILE H 4.400 . 6.000 4.448 3.859 4.667 . 0 0 "[ . 1 . 2]" 1 118 1 12 ILE H 1 12 ILE HA 2.900 . 4.400 2.884 2.275 2.952 . 0 0 "[ . 1 . 2]" 1 119 1 12 ILE H 1 12 ILE HB 2.700 . 4.100 2.797 2.447 3.664 . 0 0 "[ . 1 . 2]" 1 120 1 12 ILE H 1 12 ILE HG12 3.600 . 5.700 3.502 2.050 4.474 . 0 0 "[ . 1 . 2]" 1 121 1 12 ILE H 1 12 ILE HG13 2.900 . 4.500 2.761 1.964 3.795 . 0 0 "[ . 1 . 2]" 1 122 1 12 ILE H 1 13 ASP H 3.100 . 4.800 3.039 1.956 4.358 . 0 0 "[ . 1 . 2]" 1 123 1 12 ILE H 1 15 TYR H 4.800 . 6.000 4.376 3.302 5.115 . 0 0 "[ . 1 . 2]" 1 124 1 12 ILE H 1 15 TYR HB2 4.500 . 6.000 3.793 2.484 4.515 . 0 0 "[ . 1 . 2]" 1 125 1 12 ILE H 1 15 TYR HB3 4.900 . 6.000 5.160 3.371 6.074 0.074 13 0 "[ . 1 . 2]" 1 126 1 12 ILE HA 1 12 ILE HB 2.300 . 3.500 3.013 2.950 3.034 . 0 0 "[ . 1 . 2]" 1 127 1 12 ILE HA 1 12 ILE HG13 3.400 . 5.400 3.060 2.299 3.978 . 0 0 "[ . 1 . 2]" 1 128 1 12 ILE HA 1 13 ASP H 2.400 . 3.600 3.153 2.161 3.561 . 0 0 "[ . 1 . 2]" 1 129 1 12 ILE HA 1 13 ASP QB 4.600 . 6.000 4.330 3.798 4.959 . 0 0 "[ . 1 . 2]" 1 130 1 12 ILE HB 1 13 ASP H 3.800 . 6.000 2.673 1.462 4.447 0.038 4 0 "[ . 1 . 2]" 1 131 1 12 ILE HB 1 15 TYR H 3.900 . 6.000 4.102 2.761 4.806 . 0 0 "[ . 1 . 2]" 1 132 1 12 ILE HB 1 15 TYR HA 3.700 . 5.900 5.627 4.951 5.970 0.070 6 0 "[ . 1 . 2]" 1 133 1 12 ILE HB 1 15 TYR HB2 3.800 . 6.000 2.804 2.039 3.222 . 0 0 "[ . 1 . 2]" 1 134 1 12 ILE HB 1 15 TYR HB3 2.800 . 4.300 3.743 3.075 4.253 . 0 0 "[ . 1 . 2]" 1 135 1 13 ASP H 1 13 ASP QB 3.500 . 5.500 2.784 2.129 3.043 . 0 0 "[ . 1 . 2]" 1 136 1 13 ASP HA 1 13 ASP QB 2.500 . 3.800 2.430 2.218 2.519 . 0 0 "[ . 1 . 2]" 1 137 1 13 ASP HA 1 14 ASP H 2.700 . 4.100 3.269 2.997 3.592 . 0 0 "[ . 1 . 2]" 1 138 1 13 ASP QB 1 14 ASP H 2.700 . 4.100 1.868 1.490 2.521 . 0 0 "[ . 1 . 2]" 1 139 1 13 ASP QB 1 15 TYR H 5.000 . 6.000 3.528 2.546 4.244 . 0 0 "[ . 1 . 2]" 1 140 1 14 ASP H 1 14 ASP HA 2.800 . 4.300 2.908 2.874 2.944 . 0 0 "[ . 1 . 2]" 1 141 1 14 ASP H 1 14 ASP HB2 3.400 . 5.300 2.760 2.157 3.651 . 0 0 "[ . 1 . 2]" 1 142 1 14 ASP H 1 14 ASP HB3 3.700 . 5.900 2.735 2.444 3.124 . 0 0 "[ . 1 . 2]" 1 143 1 14 ASP H 1 15 TYR H 2.500 . 3.800 2.919 1.941 3.827 0.027 5 0 "[ . 1 . 2]" 1 144 1 14 ASP H 1 15 TYR HB2 6.000 . 6.000 4.640 3.896 5.191 . 0 0 "[ . 1 . 2]" 1 145 1 14 ASP HA 1 14 ASP HB2 2.700 . 4.100 2.544 2.273 2.810 . 0 0 "[ . 1 . 2]" 1 146 1 14 ASP HA 1 14 ASP HB3 2.600 . 4.000 2.994 2.692 3.032 . 0 0 "[ . 1 . 2]" 1 147 1 14 ASP HA 1 15 TYR H 3.000 . 4.600 2.777 2.337 3.334 . 0 0 "[ . 1 . 2]" 1 148 1 14 ASP HB2 1 15 TYR H 5.100 . 6.000 4.473 3.662 4.627 . 0 0 "[ . 1 . 2]" 1 149 1 14 ASP HB3 1 15 TYR H 4.700 . 6.000 4.135 3.459 4.450 . 0 0 "[ . 1 . 2]" 1 150 1 15 TYR H 1 15 TYR HA 2.900 . 4.500 2.915 2.869 2.948 . 0 0 "[ . 1 . 2]" 1 151 1 15 TYR H 1 15 TYR HB2 3.000 . 4.700 2.467 2.155 2.715 . 0 0 "[ . 1 . 2]" 1 152 1 15 TYR H 1 15 TYR HB3 2.700 . 4.100 3.616 3.370 3.806 . 0 0 "[ . 1 . 2]" 1 153 1 15 TYR H 1 16 LYS H 6.000 . 6.000 4.346 3.907 4.600 . 0 0 "[ . 1 . 2]" 1 154 1 15 TYR HA 1 15 TYR HB2 2.800 . 4.300 3.005 2.918 3.033 . 0 0 "[ . 1 . 2]" 1 155 1 15 TYR HA 1 15 TYR HB3 2.600 . 4.000 2.561 2.353 2.775 . 0 0 "[ . 1 . 2]" 1 156 1 15 TYR HA 1 16 LYS H 2.400 . 3.600 2.214 2.097 2.484 . 0 0 "[ . 1 . 2]" 1 157 1 15 TYR HA 1 16 LYS HB2 4.800 . 6.000 4.496 4.048 5.299 . 0 0 "[ . 1 . 2]" 1 158 1 15 TYR HA 1 47 CYS H 4.200 . 6.000 4.708 3.654 5.334 . 0 0 "[ . 1 . 2]" 1 159 1 15 TYR HA 1 48 LYS HA 3.700 . 5.900 3.133 2.447 4.193 . 0 0 "[ . 1 . 2]" 1 160 1 15 TYR HA 1 48 LYS HB3 3.500 . 5.500 4.096 3.645 4.476 . 0 0 "[ . 1 . 2]" 1 161 1 15 TYR HB2 1 16 LYS H 3.700 . 5.900 4.206 3.569 4.605 . 0 0 "[ . 1 . 2]" 1 162 1 15 TYR HB2 1 47 CYS H 4.900 . 6.000 5.526 4.923 6.029 0.029 17 0 "[ . 1 . 2]" 1 163 1 15 TYR HB3 1 16 LYS H 4.100 . 6.000 3.284 2.298 4.063 . 0 0 "[ . 1 . 2]" 1 164 1 15 TYR HB3 1 17 PRO HD2 3.600 . 5.700 3.822 2.015 6.063 0.363 4 0 "[ . 1 . 2]" 1 165 1 15 TYR HB3 1 46 CYS HA 4.800 . 6.000 3.620 3.153 4.217 . 0 0 "[ . 1 . 2]" 1 166 1 15 TYR HB3 1 46 CYS HB2 3.300 . 5.200 3.649 2.178 5.063 . 0 0 "[ . 1 . 2]" 1 167 1 15 TYR HB3 1 46 CYS HB3 3.800 . 6.000 2.465 1.471 3.416 0.029 15 0 "[ . 1 . 2]" 1 168 1 15 TYR HB3 1 47 CYS H 4.400 . 6.000 3.893 3.352 4.458 . 0 0 "[ . 1 . 2]" 1 169 1 16 LYS H 1 16 LYS HA 2.400 . 3.600 2.913 2.833 2.950 . 0 0 "[ . 1 . 2]" 1 170 1 16 LYS H 1 16 LYS HB2 2.900 . 4.400 2.482 2.065 3.239 . 0 0 "[ . 1 . 2]" 1 171 1 16 LYS H 1 16 LYS QG 3.300 . 5.100 2.984 1.490 3.888 0.010 15 0 "[ . 1 . 2]" 1 172 1 16 LYS H 1 17 PRO HA 4.500 . 6.000 5.364 4.949 5.652 . 0 0 "[ . 1 . 2]" 1 173 1 16 LYS H 1 17 PRO HD3 6.000 . 6.000 4.759 4.542 5.158 . 0 0 "[ . 1 . 2]" 1 174 1 16 LYS H 1 46 CYS HA 3.800 . 6.000 4.413 3.866 5.065 . 0 0 "[ . 1 . 2]" 1 175 1 16 LYS H 1 47 CYS H 2.700 . 4.100 3.618 3.164 4.100 0.000 19 0 "[ . 1 . 2]" 1 176 1 16 LYS H 1 47 CYS HA 4.400 . 6.000 4.898 4.404 5.427 . 0 0 "[ . 1 . 2]" 1 177 1 16 LYS HA 1 16 LYS HB2 3.000 . 4.600 2.988 2.880 3.029 . 0 0 "[ . 1 . 2]" 1 178 1 16 LYS HA 1 16 LYS HB3 2.400 . 3.600 2.535 2.238 2.771 . 0 0 "[ . 1 . 2]" 1 179 1 16 LYS HA 1 17 PRO HD2 2.500 . 3.800 2.779 2.249 3.150 . 0 0 "[ . 1 . 2]" 1 180 1 16 LYS HA 1 17 PRO HD3 2.400 . 3.600 2.036 1.741 2.574 . 0 0 "[ . 1 . 2]" 1 181 1 16 LYS HA 1 47 CYS H 4.200 . 6.000 5.251 4.597 6.021 0.021 17 0 "[ . 1 . 2]" 1 182 1 16 LYS HB2 1 16 LYS QG 2.400 . 3.600 2.372 2.131 2.525 . 0 0 "[ . 1 . 2]" 1 183 1 16 LYS HB2 1 46 CYS HB2 3.000 . 4.600 3.280 2.748 3.722 . 0 0 "[ . 1 . 2]" 1 184 1 16 LYS HB2 1 47 CYS H 4.200 . 6.000 4.440 3.999 4.957 . 0 0 "[ . 1 . 2]" 1 185 1 16 LYS HB2 1 17 PRO HD2 6.000 . 6.000 3.935 3.096 4.595 . 0 0 "[ . 1 . 2]" 1 186 1 16 LYS HB2 1 17 PRO HD3 6.000 . 6.000 4.397 3.567 4.923 . 0 0 "[ . 1 . 2]" 1 187 1 16 LYS HB3 1 17 PRO HD2 2.700 . 4.100 2.579 1.621 3.066 . 0 0 "[ . 1 . 2]" 1 188 1 16 LYS HB3 1 17 PRO HD3 2.900 . 4.500 3.336 2.690 4.045 . 0 0 "[ . 1 . 2]" 1 189 1 16 LYS HB3 1 47 CYS H 5.500 . 6.000 5.379 4.649 6.310 0.310 11 0 "[ . 1 . 2]" 1 190 1 16 LYS QG 1 17 PRO HD2 6.000 . 6.000 3.609 2.380 4.804 . 0 0 "[ . 1 . 2]" 1 191 1 16 LYS QG 1 17 PRO HD3 6.000 . 6.000 3.760 2.810 4.517 . 0 0 "[ . 1 . 2]" 1 192 1 16 LYS QG 1 47 CYS H 5.100 . 6.000 5.060 3.991 5.546 . 0 0 "[ . 1 . 2]" 1 193 1 17 PRO HA 1 17 PRO HD2 4.400 . 6.000 3.991 3.889 4.098 . 0 0 "[ . 1 . 2]" 1 194 1 17 PRO HA 1 17 PRO HD3 4.300 . 6.000 3.849 3.694 3.957 . 0 0 "[ . 1 . 2]" 1 195 1 17 PRO HA 1 18 TYR H 2.100 . 3.200 2.174 2.131 2.302 . 0 0 "[ . 1 . 2]" 1 196 1 17 PRO HA 1 18 TYR HB2 4.900 . 6.000 4.452 4.167 4.640 . 0 0 "[ . 1 . 2]" 1 197 1 17 PRO HA 1 18 TYR HB3 4.600 . 6.000 4.966 4.420 5.477 . 0 0 "[ . 1 . 2]" 1 198 1 17 PRO HA 1 19 CYS H 4.100 . 6.000 4.457 4.101 5.107 . 0 0 "[ . 1 . 2]" 1 199 1 17 PRO HA 1 34 GLY H 5.300 . 6.000 5.269 4.877 5.659 . 0 0 "[ . 1 . 2]" 1 200 1 17 PRO HA 1 46 CYS HA 3.300 . 5.200 3.022 2.483 4.484 . 0 0 "[ . 1 . 2]" 1 201 1 17 PRO HA 1 47 CYS H 3.400 . 5.400 4.226 3.720 5.237 . 0 0 "[ . 1 . 2]" 1 202 1 17 PRO HB2 1 18 TYR H 3.600 . 5.700 3.907 3.452 4.244 . 0 0 "[ . 1 . 2]" 1 203 1 17 PRO HB2 1 34 GLY H 3.700 . 5.900 4.082 3.367 4.787 . 0 0 "[ . 1 . 2]" 1 204 1 17 PRO HB2 1 34 GLY HA2 3.300 . 5.200 4.879 4.477 5.225 0.025 12 0 "[ . 1 . 2]" 1 205 1 17 PRO HB3 1 17 PRO QG 2.300 . 3.500 2.205 2.168 2.245 . 0 0 "[ . 1 . 2]" 1 206 1 17 PRO HB3 1 18 TYR H 4.100 . 6.000 4.124 3.658 4.370 . 0 0 "[ . 1 . 2]" 1 207 1 17 PRO HD2 1 17 PRO QG 2.500 . 3.800 2.208 2.173 2.250 . 0 0 "[ . 1 . 2]" 1 208 1 17 PRO QG 1 18 TYR H 6.000 . 6.000 4.831 4.597 4.986 . 0 0 "[ . 1 . 2]" 1 209 1 17 PRO QG 1 34 GLY H 5.500 . 6.000 4.098 2.718 5.237 . 0 0 "[ . 1 . 2]" 1 210 1 17 PRO QG 1 34 GLY H 6.000 . 6.000 4.313 2.724 5.501 . 0 0 "[ . 1 . 2]" 1 211 1 17 PRO QG 1 34 GLY HA2 6.000 . 6.000 5.280 3.921 6.037 0.037 11 0 "[ . 1 . 2]" 1 212 1 17 PRO HG2 1 18 TYR HB3 3.300 . 5.200 3.085 2.314 4.323 . 0 0 "[ . 1 . 2]" 1 213 1 18 TYR H 1 18 TYR HA 2.900 . 4.500 2.937 2.887 2.949 . 0 0 "[ . 1 . 2]" 1 214 1 18 TYR H 1 18 TYR HB2 2.700 . 4.100 2.448 2.197 2.655 . 0 0 "[ . 1 . 2]" 1 215 1 18 TYR H 1 18 TYR HB3 3.500 . 5.500 3.638 3.491 3.778 . 0 0 "[ . 1 . 2]" 1 216 1 18 TYR H 1 19 CYS H 3.000 . 4.600 4.378 4.131 4.547 . 0 0 "[ . 1 . 2]" 1 217 1 18 TYR H 1 19 CYS H 2.900 . 4.500 3.148 2.792 3.575 . 0 0 "[ . 1 . 2]" 1 218 1 18 TYR H 1 33 VAL HA 5.400 . 6.000 5.549 4.971 6.028 0.028 5 0 "[ . 1 . 2]" 1 219 1 18 TYR H 1 34 GLY H 4.800 . 6.000 4.751 4.452 5.234 . 0 0 "[ . 1 . 2]" 1 220 1 18 TYR H 1 45 LYS H 6.000 . 6.000 3.234 2.830 3.815 . 0 0 "[ . 1 . 2]" 1 221 1 18 TYR H 1 45 LYS HA 5.400 . 6.000 4.826 4.550 5.620 . 0 0 "[ . 1 . 2]" 1 222 1 18 TYR H 1 45 LYS QB 4.300 . 6.000 4.096 3.449 4.955 . 0 0 "[ . 1 . 2]" 1 223 1 18 TYR H 1 46 CYS HA 3.300 . 5.200 3.328 3.025 4.001 . 0 0 "[ . 1 . 2]" 1 224 1 18 TYR HA 1 18 TYR HB2 2.700 . 4.100 3.006 2.959 3.027 . 0 0 "[ . 1 . 2]" 1 225 1 18 TYR HA 1 18 TYR HB3 2.500 . 3.800 2.584 2.497 2.719 . 0 0 "[ . 1 . 2]" 1 226 1 18 TYR HA 1 19 CYS H 2.500 . 3.800 2.199 2.122 2.513 . 0 0 "[ . 1 . 2]" 1 227 1 18 TYR HA 1 20 CYS H 3.600 . 5.700 3.231 2.558 4.042 . 0 0 "[ . 1 . 2]" 1 228 1 18 TYR HA 1 33 VAL HA 3.000 . 4.600 2.904 2.214 3.328 . 0 0 "[ . 1 . 2]" 1 229 1 18 TYR HA 1 34 GLY H 2.400 . 3.600 2.562 1.991 3.280 . 0 0 "[ . 1 . 2]" 1 230 1 18 TYR HB2 1 19 CYS H 3.300 . 5.200 4.211 3.605 4.583 . 0 0 "[ . 1 . 2]" 1 231 1 18 TYR HB2 1 19 CYS HA 4.600 . 6.000 4.367 3.767 4.920 . 0 0 "[ . 1 . 2]" 1 232 1 18 TYR HB2 1 61 ILE HB 6.000 . 6.000 3.310 2.216 3.953 . 0 0 "[ . 1 . 2]" 1 233 1 18 TYR HB2 1 33 VAL HA 5.400 . 6.000 5.259 4.831 5.714 . 0 0 "[ . 1 . 2]" 1 234 1 18 TYR HB2 1 46 CYS HA 4.900 . 6.000 4.065 3.456 4.410 . 0 0 "[ . 1 . 2]" 1 235 1 18 TYR HB3 1 19 CYS H 6.000 . 6.000 3.171 2.264 3.819 . 0 0 "[ . 1 . 2]" 1 236 1 18 TYR HB3 1 33 VAL HA 6.000 . 6.000 4.413 3.991 4.985 . 0 0 "[ . 1 . 2]" 1 237 1 18 TYR HB3 1 33 VAL HA 3.800 . 6.000 3.898 3.690 4.107 . 0 0 "[ . 1 . 2]" 1 238 1 19 CYS H 1 19 CYS HA 2.700 . 4.100 2.906 2.878 2.939 . 0 0 "[ . 1 . 2]" 1 239 1 19 CYS H 1 19 CYS HB2 2.800 . 4.300 2.510 2.158 3.393 . 0 0 "[ . 1 . 2]" 1 240 1 19 CYS H 1 19 CYS HB3 2.800 . 4.300 3.356 2.507 3.717 . 0 0 "[ . 1 . 2]" 1 241 1 19 CYS H 1 20 CYS H 3.700 . 5.900 4.099 3.791 4.431 . 0 0 "[ . 1 . 2]" 1 242 1 19 CYS H 1 20 CYS H 3.500 . 5.500 3.768 3.574 3.979 . 0 0 "[ . 1 . 2]" 1 243 1 19 CYS H 1 32 VAL H 3.000 . 4.600 3.249 2.753 3.808 . 0 0 "[ . 1 . 2]" 1 244 1 19 CYS H 1 34 GLY H 3.900 . 6.000 3.544 2.875 4.488 . 0 0 "[ . 1 . 2]" 1 245 1 19 CYS HA 1 19 CYS HB2 2.600 . 3.900 2.891 2.454 3.032 . 0 0 "[ . 1 . 2]" 1 246 1 19 CYS HA 1 19 CYS HB3 2.900 . 4.500 2.643 2.252 3.027 . 0 0 "[ . 1 . 2]" 1 247 1 19 CYS HA 1 20 CYS H 2.200 . 3.300 2.221 2.139 2.377 . 0 0 "[ . 1 . 2]" 1 248 1 19 CYS HA 1 20 CYS HA 5.700 . 6.000 4.427 4.384 4.523 . 0 0 "[ . 1 . 2]" 1 249 1 19 CYS HA 1 20 CYS QB 4.700 . 6.000 4.299 4.003 4.821 . 0 0 "[ . 1 . 2]" 1 250 1 19 CYS HA 1 32 VAL H 4.900 . 6.000 4.658 4.360 5.229 . 0 0 "[ . 1 . 2]" 1 251 1 19 CYS HA 1 40 CYS HB3 4.200 . 6.000 4.306 2.545 5.158 . 0 0 "[ . 1 . 2]" 1 252 1 19 CYS HA 1 43 SER H 4.200 . 6.000 5.014 3.838 5.555 . 0 0 "[ . 1 . 2]" 1 253 1 19 CYS HA 1 44 VAL H 5.100 . 6.000 4.540 3.713 5.133 . 0 0 "[ . 1 . 2]" 1 254 1 19 CYS HA 1 44 VAL HA 3.100 . 4.800 2.524 1.683 3.293 . 0 0 "[ . 1 . 2]" 1 255 1 19 CYS HA 1 45 LYS H 6.000 . 6.000 3.486 2.911 4.010 . 0 0 "[ . 1 . 2]" 1 256 1 19 CYS HB2 1 20 CYS H 4.800 . 6.000 4.476 3.714 4.668 . 0 0 "[ . 1 . 2]" 1 257 1 19 CYS HB2 1 40 CYS HA 4.100 . 6.000 4.389 2.914 5.185 . 0 0 "[ . 1 . 2]" 1 258 1 19 CYS HB3 1 20 CYS H 5.000 . 6.000 4.048 3.757 4.470 . 0 0 "[ . 1 . 2]" 1 259 1 19 CYS HB3 1 32 VAL H 3.800 . 6.000 3.971 2.731 5.129 . 0 0 "[ . 1 . 2]" 1 260 1 19 CYS HB3 1 32 VAL HB 4.000 . 6.000 4.202 2.028 6.270 0.270 8 0 "[ . 1 . 2]" 1 261 1 20 CYS H 1 20 CYS QB . . 3.900 2.334 2.127 3.076 . 0 0 "[ . 1 . 2]" 1 262 1 20 CYS H 1 21 GLN H 4.000 . 6.000 4.419 4.300 4.564 . 0 0 "[ . 1 . 2]" 1 263 1 20 CYS H 1 21 GLN HA 5.300 . 6.000 4.634 4.339 5.131 . 0 0 "[ . 1 . 2]" 1 264 1 20 CYS H 1 43 SER H 3.000 . 4.600 4.207 3.551 4.632 0.032 2 0 "[ . 1 . 2]" 1 265 1 20 CYS H 1 43 SER QB 3.500 . 5.500 4.028 3.387 5.202 . 0 0 "[ . 1 . 2]" 1 266 1 20 CYS H 1 44 VAL H 6.000 . 6.000 4.767 3.419 5.610 . 0 0 "[ . 1 . 2]" 1 267 1 20 CYS H 1 44 VAL HA 6.000 . 6.000 3.270 2.562 4.141 . 0 0 "[ . 1 . 2]" 1 268 1 20 CYS H 1 45 LYS H 6.000 . 6.000 3.299 2.607 3.717 . 0 0 "[ . 1 . 2]" 1 269 1 20 CYS H 1 45 LYS QB 5.200 . 6.000 3.967 2.514 5.101 . 0 0 "[ . 1 . 2]" 1 270 1 20 CYS H 1 45 LYS QG 3.300 . 5.100 3.810 2.675 5.167 0.067 14 0 "[ . 1 . 2]" 1 271 1 20 CYS HA 1 21 GLN H 2.200 . 3.300 2.148 2.092 2.485 . 0 0 "[ . 1 . 2]" 1 272 1 20 CYS HA 1 21 GLN QG 4.800 . 6.000 3.740 3.105 5.413 . 0 0 "[ . 1 . 2]" 1 273 1 20 CYS HA 1 30 GLY H 6.000 . 6.000 4.149 3.358 4.789 . 0 0 "[ . 1 . 2]" 1 274 1 20 CYS HA 1 30 GLY H 6.000 . 6.000 4.610 3.556 5.977 . 0 0 "[ . 1 . 2]" 1 275 1 20 CYS QB 1 21 GLN H 2.700 . 4.100 3.324 2.376 3.756 . 0 0 "[ . 1 . 2]" 1 276 1 20 CYS QB 1 29 LEU HB3 3.600 . 4.400 3.630 2.369 4.946 0.546 6 1 "[ .+ 1 . 2]" 1 277 1 20 CYS QB 1 43 SER QB 3.400 . 5.300 3.555 2.779 5.007 . 0 0 "[ . 1 . 2]" 1 278 1 20 CYS QB 1 45 LYS QB 3.900 . 6.000 3.067 1.902 4.758 . 0 0 "[ . 1 . 2]" 1 279 1 20 CYS QB 1 45 LYS QG 3.500 . 4.800 2.751 1.786 4.310 . 0 0 "[ . 1 . 2]" 1 280 1 21 GLN H 1 21 GLN HB2 4.100 . 6.000 2.873 2.089 3.750 . 0 0 "[ . 1 . 2]" 1 281 1 21 GLN H 1 21 GLN HB3 3.800 . 6.000 3.490 2.118 3.803 . 0 0 "[ . 1 . 2]" 1 282 1 21 GLN H 1 21 GLN QG 3.200 . 5.000 2.197 1.554 3.687 . 0 0 "[ . 1 . 2]" 1 283 1 21 GLN H 1 22 SER H 4.300 . 6.000 4.378 3.893 4.606 . 0 0 "[ . 1 . 2]" 1 284 1 21 GLN H 1 22 SER HA 6.000 . 6.000 5.084 4.742 5.403 . 0 0 "[ . 1 . 2]" 1 285 1 21 GLN H 1 29 LEU HB3 6.000 . 6.000 5.070 3.741 6.027 0.027 6 0 "[ . 1 . 2]" 1 286 1 21 GLN H 1 30 GLY H 4.100 . 6.000 3.736 2.934 4.899 . 0 0 "[ . 1 . 2]" 1 287 1 21 GLN H 1 30 GLY HA3 6.000 . 6.000 3.905 3.238 5.292 . 0 0 "[ . 1 . 2]" 1 288 1 21 GLN H 1 60 ILE H 5.700 . 6.000 4.380 3.072 6.060 0.060 19 0 "[ . 1 . 2]" 1 289 1 21 GLN HA 1 21 GLN HB3 2.800 . 4.200 2.416 2.246 2.961 . 0 0 "[ . 1 . 2]" 1 290 1 21 GLN HA 1 21 GLN QG 3.500 . 5.500 2.913 2.164 3.392 . 0 0 "[ . 1 . 2]" 1 291 1 21 GLN HA 1 22 SER H 2.500 . 3.800 2.243 2.116 2.947 . 0 0 "[ . 1 . 2]" 1 292 1 21 GLN HA 1 22 SER QB 6.000 . 6.000 4.706 4.391 4.797 . 0 0 "[ . 1 . 2]" 1 293 1 21 GLN HB2 1 22 SER H 4.000 . 6.000 3.787 1.592 4.509 . 0 0 "[ . 1 . 2]" 1 294 1 21 GLN HB3 1 22 SER H 3.100 . 4.800 3.559 2.667 4.555 . 0 0 "[ . 1 . 2]" 1 295 1 21 GLN HE21 1 21 GLN QG 3.000 . 4.600 2.213 2.087 2.723 . 0 0 "[ . 1 . 2]" 1 296 1 21 GLN QG 1 29 LEU H 5.000 . 6.000 4.697 3.799 5.320 . 0 0 "[ . 1 . 2]" 1 297 1 21 GLN QG 1 22 SER H 3.700 . 5.900 4.361 3.178 4.849 . 0 0 "[ . 1 . 2]" 1 298 1 21 GLN QG 1 30 GLY HA3 3.400 . 5.300 3.694 2.696 5.455 0.155 7 0 "[ . 1 . 2]" 1 299 1 21 GLN QG 1 30 GLY H 3.300 . 5.100 4.554 2.902 5.134 0.034 6 0 "[ . 1 . 2]" 1 300 1 21 GLN HG2 1 22 SER HA 4.600 . 6.000 4.232 3.408 5.414 . 0 0 "[ . 1 . 2]" 1 301 1 21 GLN HG2 1 22 SER QB 4.200 . 6.000 5.068 4.673 5.613 . 0 0 "[ . 1 . 2]" 1 302 1 22 SER H 1 22 SER QB 3.200 . 5.000 2.807 2.434 3.117 . 0 0 "[ . 1 . 2]" 1 303 1 22 SER HA 1 23 MET H 6.000 . 6.000 2.186 2.103 2.328 . 0 0 "[ . 1 . 2]" 1 304 1 22 SER QB 1 23 MET H 6.000 . 6.000 3.480 2.887 3.828 . 0 0 "[ . 1 . 2]" 1 305 1 22 SER QB 1 23 MET HB2 3.400 . 5.400 4.964 4.523 5.329 . 0 0 "[ . 1 . 2]" 1 306 1 22 SER QB 1 29 LEU H 6.000 . 6.000 5.259 4.376 6.538 0.538 8 1 "[ . + 1 . 2]" 1 307 1 23 MET H 1 23 MET HB2 2.600 . 3.900 2.426 2.106 3.602 . 0 0 "[ . 1 . 2]" 1 308 1 23 MET H 1 23 MET QG 3.400 . 5.400 2.861 1.848 3.909 . 0 0 "[ . 1 . 2]" 1 309 1 23 MET HA 1 23 MET QG 2.800 . 4.300 2.512 2.009 3.437 . 0 0 "[ . 1 . 2]" 1 310 1 23 MET HA 1 24 SER H 2.600 . 4.000 2.391 2.102 3.550 . 0 0 "[ . 1 . 2]" 1 311 1 23 MET HB2 1 24 SER H 4.400 . 6.000 3.922 2.178 4.614 . 0 0 "[ . 1 . 2]" 1 312 1 23 MET HB2 1 26 SER H 4.000 . 6.000 4.306 2.875 6.068 0.068 8 0 "[ . 1 . 2]" 1 313 1 23 MET HB2 1 28 SER H 6.000 . 6.000 4.079 2.247 6.280 0.280 12 0 "[ . 1 . 2]" 1 314 1 23 MET HB3 1 24 SER H 3.800 . 6.000 3.294 1.560 4.411 . 0 0 "[ . 1 . 2]" 1 315 1 23 MET HB3 1 26 SER H 5.500 . 6.000 3.890 2.451 6.020 0.020 8 0 "[ . 1 . 2]" 1 316 1 23 MET QG 1 24 SER H 4.900 . 6.000 4.123 2.863 4.758 . 0 0 "[ . 1 . 2]" 1 317 1 24 SER H 1 24 SER HA 2.300 . 3.500 2.805 2.269 2.931 . 0 0 "[ . 1 . 2]" 1 318 1 24 SER H 1 25 GLY H 4.300 . 6.000 3.630 2.263 4.566 . 0 0 "[ . 1 . 2]" 1 319 1 24 SER HA 1 25 GLY H 2.400 . 3.600 2.762 2.113 3.588 . 0 0 "[ . 1 . 2]" 1 320 1 24 SER HA 1 26 SER H 4.500 . 6.000 4.404 3.188 6.057 0.057 10 0 "[ . 1 . 2]" 1 321 1 24 SER QB 1 25 GLY H 3.200 . 4.900 3.099 1.470 3.916 0.030 7 0 "[ . 1 . 2]" 1 322 1 25 GLY H 1 25 GLY HA2 3.000 . 4.600 2.624 2.298 2.959 . 0 0 "[ . 1 . 2]" 1 323 1 25 GLY H 1 25 GLY HA3 2.900 . 4.500 2.735 2.296 2.958 . 0 0 "[ . 1 . 2]" 1 324 1 25 GLY H 1 26 SER H 3.100 . 4.800 2.865 1.892 4.054 . 0 0 "[ . 1 . 2]" 1 325 1 25 GLY HA2 1 26 SER H 3.300 . 5.200 3.301 2.542 3.561 . 0 0 "[ . 1 . 2]" 1 326 1 25 GLY HA3 1 26 SER H 3.200 . 4.900 2.962 2.115 3.553 . 0 0 "[ . 1 . 2]" 1 327 1 26 SER H 1 26 SER HA 3.000 . 4.600 2.900 2.775 2.945 . 0 0 "[ . 1 . 2]" 1 328 1 26 SER H 1 27 ALA H 4.100 . 6.000 3.670 2.029 4.576 . 0 0 "[ . 1 . 2]" 1 329 1 26 SER HA 1 27 ALA H 2.700 . 4.100 2.610 2.133 3.570 . 0 0 "[ . 1 . 2]" 1 330 1 26 SER QB 1 27 ALA H . . 5.900 3.203 2.262 3.918 . 0 0 "[ . 1 . 2]" 1 331 1 27 ALA H 1 28 SER H 3.200 . 5.000 3.174 2.325 4.342 . 0 0 "[ . 1 . 2]" 1 332 1 27 ALA H 1 28 SER H 3.300 . 5.200 2.483 1.974 3.786 . 0 0 "[ . 1 . 2]" 1 333 1 27 ALA HA 1 28 SER H 3.500 . 5.500 2.863 2.410 3.582 . 0 0 "[ . 1 . 2]" 1 334 1 28 SER H 1 28 SER HB2 2.800 . 4.200 3.092 2.763 3.622 . 0 0 "[ . 1 . 2]" 1 335 1 28 SER H 1 28 SER HB3 3.400 . 5.400 3.680 3.237 3.997 . 0 0 "[ . 1 . 2]" 1 336 1 28 SER H 1 29 LEU H 3.400 . 5.400 4.077 2.224 4.568 . 0 0 "[ . 1 . 2]" 1 337 1 28 SER HA 1 29 LEU H 6.000 . 6.000 2.527 2.131 3.571 . 0 0 "[ . 1 . 2]" 1 338 1 28 SER HB2 1 29 LEU H 3.400 . 5.400 3.436 1.725 4.280 . 0 0 "[ . 1 . 2]" 1 339 1 28 SER HB3 1 29 LEU H 3.100 . 4.800 3.319 2.071 4.375 . 0 0 "[ . 1 . 2]" 1 340 1 29 LEU H 1 29 LEU HA 2.600 . 4.000 2.875 2.274 2.945 . 0 0 "[ . 1 . 2]" 1 341 1 29 LEU H 1 29 LEU HB2 3.200 . 4.900 2.743 2.154 3.973 . 0 0 "[ . 1 . 2]" 1 342 1 29 LEU H 1 29 LEU HB3 3.200 . 5.000 3.541 2.781 4.044 . 0 0 "[ . 1 . 2]" 1 343 1 29 LEU H 1 29 LEU HG 3.300 . 5.200 3.374 1.586 4.828 . 0 0 "[ . 1 . 2]" 1 344 1 29 LEU H 1 30 GLY HA2 3.200 . 5.000 3.477 2.601 4.307 . 0 0 "[ . 1 . 2]" 1 345 1 29 LEU HA 1 29 LEU HB3 2.600 . 4.000 2.556 2.219 2.913 . 0 0 "[ . 1 . 2]" 1 346 1 29 LEU HA 1 29 LEU HG 4.200 . 6.000 3.189 2.691 3.685 . 0 0 "[ . 1 . 2]" 1 347 1 29 LEU HA 1 30 GLY H 3.100 . 4.800 2.355 2.131 3.563 . 0 0 "[ . 1 . 2]" 1 348 1 29 LEU HB2 1 30 GLY H 4.100 . 6.000 3.855 2.339 4.634 . 0 0 "[ . 1 . 2]" 1 349 1 29 LEU HB3 1 30 GLY H 3.400 . 5.300 3.424 1.460 4.231 0.040 4 0 "[ . 1 . 2]" 1 350 1 29 LEU HG 1 30 GLY H 4.900 . 6.000 4.789 2.479 5.617 . 0 0 "[ . 1 . 2]" 1 351 1 29 LEU HG 1 63 ALA H 3.500 . 5.500 4.895 2.924 5.565 0.065 2 0 "[ . 1 . 2]" 1 352 1 30 GLY H 1 30 GLY HA2 3.000 . 4.600 2.860 2.405 2.951 . 0 0 "[ . 1 . 2]" 1 353 1 30 GLY H 1 31 CYS H 4.600 . 6.000 4.043 3.189 4.468 . 0 0 "[ . 1 . 2]" 1 354 1 30 GLY HA2 1 31 CYS H 2.700 . 4.100 2.232 2.132 2.428 . 0 0 "[ . 1 . 2]" 1 355 1 30 GLY HA3 1 31 CYS H 2.600 . 4.000 3.394 3.019 3.541 . 0 0 "[ . 1 . 2]" 1 356 1 30 GLY HA3 1 60 ILE HA 4.100 . 6.000 4.177 3.080 5.157 . 0 0 "[ . 1 . 2]" 1 357 1 31 CYS H 1 31 CYS HA 2.800 . 4.300 2.930 2.895 2.948 . 0 0 "[ . 1 . 2]" 1 358 1 31 CYS H 1 31 CYS HB2 2.700 . 4.100 2.567 2.171 3.226 . 0 0 "[ . 1 . 2]" 1 359 1 31 CYS H 1 31 CYS HB3 3.800 . 6.000 3.345 2.752 3.948 . 0 0 "[ . 1 . 2]" 1 360 1 31 CYS H 1 32 VAL H 4.300 . 6.000 4.328 3.916 4.563 . 0 0 "[ . 1 . 2]" 1 361 1 31 CYS H 1 32 VAL HA 3.700 . 5.900 4.999 4.618 5.302 . 0 0 "[ . 1 . 2]" 1 362 1 31 CYS H 1 58 PHE QB 5.100 . 6.000 5.472 4.063 6.032 0.032 10 0 "[ . 1 . 2]" 1 363 1 31 CYS H 1 59 LEU H 6.000 . 6.000 3.829 2.840 5.487 . 0 0 "[ . 1 . 2]" 1 364 1 31 CYS H 1 59 LEU H 3.500 . 5.500 2.991 2.717 3.603 . 0 0 "[ . 1 . 2]" 1 365 1 31 CYS H 1 59 LEU HA 5.100 . 6.000 5.076 4.579 5.932 . 0 0 "[ . 1 . 2]" 1 366 1 31 CYS H 1 59 LEU HB2 6.000 . 6.000 4.453 3.598 5.679 . 0 0 "[ . 1 . 2]" 1 367 1 31 CYS H 1 59 LEU HB3 6.000 . 6.000 4.598 3.851 5.694 . 0 0 "[ . 1 . 2]" 1 368 1 31 CYS H 1 60 ILE HA 3.700 . 5.900 2.923 2.535 3.598 . 0 0 "[ . 1 . 2]" 1 369 1 31 CYS HA 1 31 CYS HB3 2.600 . 3.900 2.698 2.236 3.013 . 0 0 "[ . 1 . 2]" 1 370 1 31 CYS HA 1 32 VAL H 2.400 . 3.600 2.206 2.115 2.537 . 0 0 "[ . 1 . 2]" 1 371 1 31 CYS HA 1 32 VAL HA 5.500 . 6.000 4.000 3.921 4.098 . 0 0 "[ . 1 . 2]" 1 372 1 31 CYS HA 1 59 LEU H 5.100 . 6.000 4.736 4.436 5.306 . 0 0 "[ . 1 . 2]" 1 373 1 31 CYS HB2 1 32 VAL H 4.000 . 6.000 4.192 2.930 4.641 . 0 0 "[ . 1 . 2]" 1 374 1 31 CYS HB2 1 61 ILE H 4.400 . 6.000 3.684 2.471 4.597 . 0 0 "[ . 1 . 2]" 1 375 1 31 CYS HB2 1 61 ILE HG12 4.300 . 6.000 2.390 1.866 3.542 . 0 0 "[ . 1 . 2]" 1 376 1 31 CYS HB3 1 32 VAL H 3.300 . 5.200 3.528 2.277 4.224 . 0 0 "[ . 1 . 2]" 1 377 1 31 CYS HB3 1 33 VAL H 6.000 . 6.000 4.120 3.084 5.234 . 0 0 "[ . 1 . 2]" 1 378 1 31 CYS HB3 1 61 ILE H 4.900 . 6.000 4.750 3.862 5.708 . 0 0 "[ . 1 . 2]" 1 379 1 32 VAL H 1 32 VAL HA 2.900 . 4.400 2.924 2.843 2.950 . 0 0 "[ . 1 . 2]" 1 380 1 32 VAL H 1 32 VAL HB 3.200 . 5.000 3.062 2.638 3.646 . 0 0 "[ . 1 . 2]" 1 381 1 32 VAL H 1 33 VAL HA 5.000 . 6.000 5.146 4.827 5.589 . 0 0 "[ . 1 . 2]" 1 382 1 32 VAL HA 1 32 VAL HB 2.500 . 3.800 2.909 2.282 3.027 . 0 0 "[ . 1 . 2]" 1 383 1 32 VAL HA 1 33 VAL H 2.200 . 3.300 2.272 2.177 2.457 . 0 0 "[ . 1 . 2]" 1 384 1 32 VAL HA 1 33 VAL HA 4.800 . 6.000 4.306 4.218 4.368 . 0 0 "[ . 1 . 2]" 1 385 1 32 VAL HB 1 33 VAL H 3.000 . 4.600 3.486 2.654 4.025 . 0 0 "[ . 1 . 2]" 1 386 1 33 VAL H 1 33 VAL HA 2.800 . 4.300 2.822 2.755 2.874 . 0 0 "[ . 1 . 2]" 1 387 1 33 VAL H 1 33 VAL HB 2.500 . 3.800 2.735 2.442 3.440 . 0 0 "[ . 1 . 2]" 1 388 1 33 VAL H 1 34 GLY H 6.000 . 6.000 4.512 4.391 4.591 . 0 0 "[ . 1 . 2]" 1 389 1 33 VAL HA 1 33 VAL HB 2.700 . 4.100 2.701 2.384 3.026 . 0 0 "[ . 1 . 2]" 1 390 1 33 VAL HA 1 34 GLY H 2.100 . 3.100 2.145 2.119 2.182 . 0 0 "[ . 1 . 2]" 1 391 1 33 VAL HA 1 34 GLY HA2 5.000 . 6.000 4.368 4.318 4.404 . 0 0 "[ . 1 . 2]" 1 392 1 33 VAL HA 1 35 VAL H 6.000 . 6.000 5.481 4.058 6.044 0.044 18 0 "[ . 1 . 2]" 1 393 1 33 VAL HB 1 34 GLY H 4.100 . 6.000 4.112 3.514 4.308 . 0 0 "[ . 1 . 2]" 1 394 1 34 GLY H 1 34 GLY HA2 2.600 . 3.900 2.870 2.771 2.954 . 0 0 "[ . 1 . 2]" 1 395 1 34 GLY H 1 34 GLY HA3 2.500 . 3.800 2.324 2.284 2.498 . 0 0 "[ . 1 . 2]" 1 396 1 34 GLY H 1 35 VAL H 5.000 . 6.000 4.111 2.621 4.570 . 0 0 "[ . 1 . 2]" 1 397 1 34 GLY HA2 1 35 VAL H 2.600 . 4.000 2.365 2.115 3.538 . 0 0 "[ . 1 . 2]" 1 398 1 34 GLY HA2 1 35 VAL HB 5.200 . 6.000 5.318 4.621 5.798 . 0 0 "[ . 1 . 2]" 1 399 1 34 GLY HA3 1 35 VAL H 2.900 . 4.400 3.173 2.461 3.535 . 0 0 "[ . 1 . 2]" 1 400 1 35 VAL H 1 35 VAL HA 2.600 . 4.000 2.813 2.262 2.947 . 0 0 "[ . 1 . 2]" 1 401 1 35 VAL H 1 35 VAL HB 2.600 . 3.900 3.392 2.934 3.799 . 0 0 "[ . 1 . 2]" 1 402 1 35 VAL H 1 36 ILE H 4.400 . 6.000 4.063 2.395 4.592 . 0 0 "[ . 1 . 2]" 1 403 1 35 VAL HA 1 35 VAL HB 3.000 . 4.600 2.833 2.569 3.023 . 0 0 "[ . 1 . 2]" 1 404 1 35 VAL HA 1 36 ILE H 2.300 . 3.500 2.761 2.105 3.471 . 0 0 "[ . 1 . 2]" 1 405 1 35 VAL HA 1 36 ILE HG13 4.700 . 6.000 4.228 3.520 5.434 . 0 0 "[ . 1 . 2]" 1 406 1 35 VAL HB 1 36 ILE H 2.400 . 3.600 2.534 1.328 3.668 0.068 6 0 "[ . 1 . 2]" 1 407 1 35 VAL HB 1 38 SER H 4.300 . 6.000 4.936 3.691 6.003 0.003 20 0 "[ . 1 . 2]" 1 408 1 36 ILE H 1 36 ILE HG12 3.900 . 6.000 3.266 1.914 4.281 . 0 0 "[ . 1 . 2]" 1 409 1 36 ILE H 1 36 ILE HG13 2.700 . 4.100 2.739 1.694 4.540 0.440 12 0 "[ . 1 . 2]" 1 410 1 36 ILE H 1 37 GLY H 4.400 . 6.000 4.251 3.544 4.577 . 0 0 "[ . 1 . 2]" 1 411 1 36 ILE HA 1 36 ILE HG12 3.100 . 4.800 3.133 2.484 4.041 . 0 0 "[ . 1 . 2]" 1 412 1 36 ILE HA 1 36 ILE HG13 3.300 . 5.100 3.090 2.428 3.959 . 0 0 "[ . 1 . 2]" 1 413 1 36 ILE HA 1 37 GLY H 2.200 . 3.300 2.152 2.128 2.258 . 0 0 "[ . 1 . 2]" 1 414 1 36 ILE HA 1 37 GLY HA2 4.400 . 6.000 4.363 4.334 4.399 . 0 0 "[ . 1 . 2]" 1 415 1 36 ILE HA 1 38 SER H 3.500 . 5.500 3.806 3.410 4.367 . 0 0 "[ . 1 . 2]" 1 416 1 36 ILE HB 1 36 ILE HG13 2.800 . 4.300 2.647 2.334 2.911 . 0 0 "[ . 1 . 2]" 1 417 1 36 ILE HB 1 37 GLY H 6.000 . 6.000 4.174 3.144 4.421 . 0 0 "[ . 1 . 2]" 1 418 1 36 ILE HG12 1 37 GLY H 6.000 . 6.000 5.044 4.481 5.526 . 0 0 "[ . 1 . 2]" 1 419 1 36 ILE HG13 1 37 GLY H 5.100 . 6.000 5.006 4.357 5.738 . 0 0 "[ . 1 . 2]" 1 420 1 37 GLY H 1 37 GLY HA2 2.500 . 3.800 2.352 2.296 2.432 . 0 0 "[ . 1 . 2]" 1 421 1 37 GLY H 1 37 GLY HA3 2.800 . 4.300 2.912 2.851 2.952 . 0 0 "[ . 1 . 2]" 1 422 1 37 GLY H 1 38 SER H 2.700 . 4.100 2.389 2.141 2.910 . 0 0 "[ . 1 . 2]" 1 423 1 37 GLY HA2 1 38 SER H 3.200 . 5.000 3.008 2.623 3.506 . 0 0 "[ . 1 . 2]" 1 424 1 37 GLY HA3 1 38 SER H 3.200 . 5.000 3.430 2.916 3.568 . 0 0 "[ . 1 . 2]" 1 425 1 38 SER H 1 38 SER HB2 2.900 . 4.500 2.825 2.289 3.513 . 0 0 "[ . 1 . 2]" 1 426 1 38 SER H 1 39 GLN H 5.600 . 6.000 4.238 2.328 4.599 . 0 0 "[ . 1 . 2]" 1 427 1 38 SER HA 1 38 SER HB2 2.700 . 4.100 2.979 2.650 3.030 . 0 0 "[ . 1 . 2]" 1 428 1 38 SER HA 1 38 SER HB3 3.000 . 4.600 2.374 2.248 2.597 . 0 0 "[ . 1 . 2]" 1 429 1 38 SER HA 1 39 GLN H 2.300 . 3.400 2.341 2.115 3.252 . 0 0 "[ . 1 . 2]" 1 430 1 38 SER HB2 1 39 GLN H 2.900 . 4.500 3.796 2.941 4.512 0.012 2 0 "[ . 1 . 2]" 1 431 1 38 SER HB3 1 39 GLN H 3.100 . 4.800 3.245 2.340 4.494 . 0 0 "[ . 1 . 2]" 1 432 1 39 GLN H 1 39 GLN HB2 3.200 . 5.000 2.516 2.118 3.296 . 0 0 "[ . 1 . 2]" 1 433 1 39 GLN H 1 39 GLN HB3 2.700 . 4.100 3.304 2.541 4.110 0.010 11 0 "[ . 1 . 2]" 1 434 1 39 GLN H 1 39 GLN HG2 4.000 . 6.000 4.104 1.580 5.005 . 0 0 "[ . 1 . 2]" 1 435 1 39 GLN H 1 39 GLN HG3 3.500 . 5.500 3.863 2.307 4.594 . 0 0 "[ . 1 . 2]" 1 436 1 39 GLN H 1 40 CYS H 4.400 . 6.000 4.066 3.420 4.566 . 0 0 "[ . 1 . 2]" 1 437 1 39 GLN HA 1 39 GLN HE21 6.000 . 6.000 4.164 2.824 5.135 . 0 0 "[ . 1 . 2]" 1 438 1 39 GLN HA 1 39 GLN HG2 3.800 . 6.000 3.085 2.115 3.739 . 0 0 "[ . 1 . 2]" 1 439 1 39 GLN HA 1 39 GLN HG3 3.800 . 6.000 2.754 2.039 4.180 . 0 0 "[ . 1 . 2]" 1 440 1 39 GLN HA 1 40 CYS H 2.400 . 3.600 2.237 2.144 2.555 . 0 0 "[ . 1 . 2]" 1 441 1 39 GLN HB2 1 40 CYS H 3.700 . 5.900 4.451 3.637 4.661 . 0 0 "[ . 1 . 2]" 1 442 1 39 GLN HB3 1 40 CYS H 3.700 . 5.900 3.994 3.012 4.408 . 0 0 "[ . 1 . 2]" 1 443 1 39 GLN HG2 1 40 CYS H 4.600 . 6.000 4.711 3.963 5.426 . 0 0 "[ . 1 . 2]" 1 444 1 39 GLN HG3 1 40 CYS H 5.200 . 6.000 4.499 2.421 5.932 . 0 0 "[ . 1 . 2]" 1 445 1 40 CYS H 1 40 CYS HA 3.000 . 4.700 2.872 2.793 2.946 . 0 0 "[ . 1 . 2]" 1 446 1 40 CYS H 1 40 CYS HB2 2.600 . 4.000 2.425 2.055 3.606 . 0 0 "[ . 1 . 2]" 1 447 1 40 CYS H 1 40 CYS HB3 3.000 . 4.600 3.266 2.417 3.686 . 0 0 "[ . 1 . 2]" 1 448 1 40 CYS H 1 41 GLY H 4.800 . 6.000 3.910 2.308 4.598 . 0 0 "[ . 1 . 2]" 1 449 1 40 CYS HA 1 40 CYS HB2 2.800 . 4.300 2.847 2.419 3.029 . 0 0 "[ . 1 . 2]" 1 450 1 40 CYS HA 1 40 CYS HB3 2.700 . 4.100 2.705 2.256 3.021 . 0 0 "[ . 1 . 2]" 1 451 1 40 CYS HA 1 41 GLY H 2.300 . 3.500 2.495 2.125 3.573 0.073 3 0 "[ . 1 . 2]" 1 452 1 40 CYS HA 1 41 GLY HA2 6.000 . 6.000 4.592 4.373 5.283 . 0 0 "[ . 1 . 2]" 1 453 1 40 CYS HA 1 42 ALA H 3.900 . 6.000 3.882 3.058 5.114 . 0 0 "[ . 1 . 2]" 1 454 1 40 CYS HB2 1 41 GLY H 4.700 . 6.000 4.165 3.046 4.663 . 0 0 "[ . 1 . 2]" 1 455 1 40 CYS HB2 1 42 ALA H 4.600 . 6.000 4.265 2.893 5.174 . 0 0 "[ . 1 . 2]" 1 456 1 40 CYS HB3 1 41 GLY H 3.800 . 6.000 3.604 2.085 4.239 . 0 0 "[ . 1 . 2]" 1 457 1 41 GLY H 1 41 GLY HA2 2.600 . 3.900 2.789 2.320 2.956 . 0 0 "[ . 1 . 2]" 1 458 1 41 GLY H 1 41 GLY HA3 2.700 . 4.100 2.505 2.313 2.948 . 0 0 "[ . 1 . 2]" 1 459 1 41 GLY H 1 42 ALA H 2.700 . 4.100 2.921 2.104 3.477 . 0 0 "[ . 1 . 2]" 1 460 1 41 GLY HA2 1 42 ALA H 3.200 . 5.000 3.083 2.516 3.572 . 0 0 "[ . 1 . 2]" 1 461 1 41 GLY HA3 1 42 ALA H 3.300 . 5.200 3.254 2.724 3.555 . 0 0 "[ . 1 . 2]" 1 462 1 42 ALA H 1 43 SER H 3.600 . 5.700 4.135 3.263 4.612 . 0 0 "[ . 1 . 2]" 1 463 1 42 ALA HA 1 43 SER H 4.500 . 6.000 2.853 2.341 3.471 . 0 0 "[ . 1 . 2]" 1 464 1 43 SER H 1 43 SER QB 2.600 . 3.900 2.829 2.493 3.178 . 0 0 "[ . 1 . 2]" 1 465 1 43 SER H 1 44 VAL H 5.000 . 6.000 4.184 2.331 4.571 . 0 0 "[ . 1 . 2]" 1 466 1 43 SER HA 1 43 SER QB 2.600 . 3.900 2.206 2.159 2.416 . 0 0 "[ . 1 . 2]" 1 467 1 43 SER HA 1 44 VAL H 2.300 . 3.500 2.294 2.127 3.472 . 0 0 "[ . 1 . 2]" 1 468 1 43 SER QB 1 44 VAL H 3.100 . 4.800 3.355 2.864 3.790 . 0 0 "[ . 1 . 2]" 1 469 1 43 SER QB 1 45 LYS QG 6.000 . 6.000 3.040 2.256 4.604 . 0 0 "[ . 1 . 2]" 1 470 1 44 VAL H 1 44 VAL HB 2.600 . 4.000 2.855 2.530 3.720 . 0 0 "[ . 1 . 2]" 1 471 1 44 VAL H 1 45 LYS QG 6.000 . 6.000 4.610 3.747 6.088 0.088 14 0 "[ . 1 . 2]" 1 472 1 44 VAL HA 1 45 LYS H 2.500 . 3.800 2.154 2.123 2.274 . 0 0 "[ . 1 . 2]" 1 473 1 44 VAL HB 1 45 LYS H 3.200 . 5.000 4.181 4.028 4.395 . 0 0 "[ . 1 . 2]" 1 474 1 45 LYS H 1 45 LYS QB 3.000 . 4.600 2.578 2.351 2.968 . 0 0 "[ . 1 . 2]" 1 475 1 45 LYS H 1 45 LYS QD 5.000 . 6.000 4.182 3.353 4.907 . 0 0 "[ . 1 . 2]" 1 476 1 45 LYS H 1 45 LYS QG 3.700 . 5.900 2.991 2.045 4.119 . 0 0 "[ . 1 . 2]" 1 477 1 45 LYS HA 1 45 LYS QB 2.300 . 3.400 2.378 2.181 2.540 . 0 0 "[ . 1 . 2]" 1 478 1 45 LYS HA 1 45 LYS QD 3.500 . 5.500 3.403 1.699 4.175 . 0 0 "[ . 1 . 2]" 1 479 1 45 LYS HA 1 45 LYS QG 3.100 . 4.800 2.544 1.998 3.354 . 0 0 "[ . 1 . 2]" 1 480 1 45 LYS HA 1 46 CYS H 2.400 . 3.600 2.322 2.128 2.630 . 0 0 "[ . 1 . 2]" 1 481 1 45 LYS QB 1 45 LYS QE 3.100 . 4.800 2.675 1.816 3.717 . 0 0 "[ . 1 . 2]" 1 482 1 45 LYS QB 1 45 LYS QG 2.100 . 3.200 2.039 1.980 2.089 . 0 0 "[ . 1 . 2]" 1 483 1 45 LYS QB 1 46 CYS H 3.600 . 5.700 2.701 1.998 3.420 . 0 0 "[ . 1 . 2]" 1 484 1 45 LYS QB 1 67 VAL H 4.900 . 6.000 5.017 3.983 5.781 . 0 0 "[ . 1 . 2]" 1 485 1 45 LYS QD 1 46 CYS H 5.100 . 6.000 4.338 3.094 5.243 . 0 0 "[ . 1 . 2]" 1 486 1 45 LYS QE 1 45 LYS QG 3.300 . 5.200 2.309 1.983 2.835 . 0 0 "[ . 1 . 2]" 1 487 1 45 LYS HE2 1 68 ALA HA 3.300 . 5.200 4.523 2.730 5.327 0.127 1 0 "[ . 1 . 2]" 1 488 1 45 LYS QG 1 46 CYS H 4.700 . 6.000 3.917 2.568 4.591 . 0 0 "[ . 1 . 2]" 1 489 1 46 CYS H 1 46 CYS HB2 3.500 . 5.600 2.598 2.186 3.063 . 0 0 "[ . 1 . 2]" 1 490 1 46 CYS H 1 46 CYS HB3 2.800 . 4.300 3.613 3.253 3.820 . 0 0 "[ . 1 . 2]" 1 491 1 46 CYS H 1 47 CYS H 4.800 . 6.000 4.068 3.743 4.471 . 0 0 "[ . 1 . 2]" 1 492 1 46 CYS H 1 67 VAL H 4.100 . 6.000 4.607 3.630 5.579 . 0 0 "[ . 1 . 2]" 1 493 1 46 CYS HA 1 46 CYS HB2 2.800 . 4.300 2.983 2.792 3.033 . 0 0 "[ . 1 . 2]" 1 494 1 46 CYS HA 1 46 CYS HB3 3.000 . 4.600 2.499 2.251 2.904 . 0 0 "[ . 1 . 2]" 1 495 1 46 CYS HA 1 47 CYS H 2.300 . 3.400 2.198 2.115 2.339 . 0 0 "[ . 1 . 2]" 1 496 1 46 CYS HA 1 47 CYS HB3 6.000 . 6.000 5.656 4.949 5.878 . 0 0 "[ . 1 . 2]" 1 497 1 46 CYS HB2 1 47 CYS H 3.900 . 6.000 4.396 4.003 4.648 . 0 0 "[ . 1 . 2]" 1 498 1 46 CYS HB3 1 47 CYS H 3.900 . 6.000 3.898 3.204 4.212 . 0 0 "[ . 1 . 2]" 1 499 1 46 CYS HB3 1 47 CYS HA 4.000 . 6.000 3.751 3.002 4.389 . 0 0 "[ . 1 . 2]" 1 500 1 47 CYS H 1 47 CYS HB2 3.200 . 5.000 2.831 2.521 3.249 . 0 0 "[ . 1 . 2]" 1 501 1 47 CYS H 1 47 CYS HB3 3.200 . 5.000 3.692 2.838 3.864 . 0 0 "[ . 1 . 2]" 1 502 1 47 CYS H 1 48 LYS H 4.800 . 6.000 4.463 4.369 4.559 . 0 0 "[ . 1 . 2]" 1 503 1 47 CYS H 1 66 CYS HA 4.100 . 6.000 4.564 4.169 4.956 . 0 0 "[ . 1 . 2]" 1 504 1 47 CYS HA 1 47 CYS HB2 2.700 . 4.100 2.961 2.612 3.027 . 0 0 "[ . 1 . 2]" 1 505 1 47 CYS HA 1 47 CYS HB3 2.900 . 4.500 2.409 2.251 2.988 . 0 0 "[ . 1 . 2]" 1 506 1 47 CYS HA 1 48 LYS H 2.500 . 3.800 2.348 2.128 2.688 . 0 0 "[ . 1 . 2]" 1 507 1 47 CYS HA 1 48 LYS HA 5.600 . 6.000 4.415 4.349 4.533 . 0 0 "[ . 1 . 2]" 1 508 1 47 CYS HA 1 48 LYS HB2 4.900 . 6.000 4.154 3.934 4.445 . 0 0 "[ . 1 . 2]" 1 509 1 47 CYS HA 1 48 LYS HB3 4.100 . 6.000 4.992 4.505 5.532 . 0 0 "[ . 1 . 2]" 1 510 1 47 CYS HA 1 48 LYS HE3 5.400 . 6.000 4.792 3.930 5.879 . 0 0 "[ . 1 . 2]" 1 511 1 47 CYS HA 1 66 CYS H 5.100 . 6.000 4.592 3.931 5.192 . 0 0 "[ . 1 . 2]" 1 512 1 47 CYS HA 1 66 CYS HA 2.900 . 4.500 1.916 1.385 2.361 . 0 0 "[ . 1 . 2]" 1 513 1 47 CYS HA 1 67 VAL H 3.500 . 5.600 2.968 2.247 3.588 . 0 0 "[ . 1 . 2]" 1 514 1 47 CYS HB2 1 48 LYS H 3.600 . 5.700 3.504 2.491 4.207 . 0 0 "[ . 1 . 2]" 1 515 1 47 CYS HB2 1 48 LYS HB3 5.400 . 6.000 4.747 4.353 5.334 . 0 0 "[ . 1 . 2]" 1 516 1 47 CYS HB2 1 65 ASN HD21 5.300 . 6.000 3.748 2.409 5.372 . 0 0 "[ . 1 . 2]" 1 517 1 47 CYS HB2 1 65 ASN HD22 6.000 . 6.000 3.980 2.593 5.299 . 0 0 "[ . 1 . 2]" 1 518 1 47 CYS HB2 1 66 CYS H 5.500 . 6.000 5.583 4.944 6.410 0.410 14 0 "[ . 1 . 2]" 1 519 1 47 CYS HB3 1 48 LYS H 3.100 . 4.800 2.830 2.192 3.569 . 0 0 "[ . 1 . 2]" 1 520 1 48 LYS H 1 48 LYS HB2 2.900 . 4.400 2.655 2.140 3.244 . 0 0 "[ . 1 . 2]" 1 521 1 48 LYS H 1 48 LYS HB3 2.800 . 4.300 2.860 2.431 3.393 . 0 0 "[ . 1 . 2]" 1 522 1 48 LYS H 1 65 ASN HA 5.600 . 6.000 4.434 3.146 5.109 . 0 0 "[ . 1 . 2]" 1 523 1 48 LYS H 1 65 ASN QB 3.400 . 5.300 3.321 2.615 3.847 . 0 0 "[ . 1 . 2]" 1 524 1 48 LYS H 1 65 ASN HD21 5.000 . 6.000 5.200 3.420 6.060 0.060 5 0 "[ . 1 . 2]" 1 525 1 48 LYS H 1 65 ASN HD22 5.600 . 6.000 5.715 4.790 6.151 0.151 16 0 "[ . 1 . 2]" 1 526 1 48 LYS H 1 66 CYS HA 3.500 . 5.500 3.038 1.838 3.728 . 0 0 "[ . 1 . 2]" 1 527 1 48 LYS HA 1 48 LYS HB3 2.400 . 3.600 2.971 2.810 3.030 . 0 0 "[ . 1 . 2]" 1 528 1 48 LYS HA 1 49 ASP H 2.800 . 4.300 3.116 2.143 3.548 . 0 0 "[ . 1 . 2]" 1 529 1 48 LYS HA 1 49 ASP QB 4.300 . 6.000 4.386 3.944 4.690 . 0 0 "[ . 1 . 2]" 1 530 1 48 LYS HA 1 65 ASN HD21 4.700 . 6.000 4.991 3.992 5.706 . 0 0 "[ . 1 . 2]" 1 531 1 48 LYS HB2 1 65 ASN HD21 6.000 . 6.000 5.201 4.249 6.088 0.088 14 0 "[ . 1 . 2]" 1 532 1 48 LYS HB2 1 65 ASN HD22 6.000 . 6.000 5.156 3.107 6.019 0.019 1 0 "[ . 1 . 2]" 1 533 1 48 LYS HB2 1 49 ASP H 3.400 . 5.400 3.878 3.073 4.657 . 0 0 "[ . 1 . 2]" 1 534 1 48 LYS HB3 1 48 LYS HE2 3.500 . 5.600 3.977 2.510 5.476 . 0 0 "[ . 1 . 2]" 1 535 1 48 LYS HB3 1 48 LYS HE3 4.000 . 6.000 4.039 2.590 5.036 . 0 0 "[ . 1 . 2]" 1 536 1 48 LYS HB3 1 49 ASP H 3.700 . 5.900 3.169 1.871 4.374 . 0 0 "[ . 1 . 2]" 1 537 1 48 LYS HB3 1 65 ASN HA 5.000 . 6.000 4.557 3.196 5.659 . 0 0 "[ . 1 . 2]" 1 538 1 48 LYS HB3 1 65 ASN HD21 6.000 . 6.000 5.123 3.481 6.021 0.021 18 0 "[ . 1 . 2]" 1 539 1 48 LYS HB3 1 65 ASN HD22 6.000 . 6.000 5.442 4.280 6.118 0.118 12 0 "[ . 1 . 2]" 1 540 1 48 LYS QD 1 49 ASP H 6.000 . 6.000 4.401 2.216 5.957 . 0 0 "[ . 1 . 2]" 1 541 1 49 ASP H 1 49 ASP HA 2.600 . 3.900 2.502 2.244 2.940 . 0 0 "[ . 1 . 2]" 1 542 1 49 ASP H 1 49 ASP QB 3.000 . 4.600 2.700 2.192 3.304 . 0 0 "[ . 1 . 2]" 1 543 1 49 ASP H 1 62 ASN HD22 4.500 . 6.000 5.144 3.368 6.634 0.634 16 1 "[ . 1 .+ 2]" 1 544 1 49 ASP H 1 65 ASN QB 5.100 . 6.000 2.932 1.647 4.346 . 0 0 "[ . 1 . 2]" 1 545 1 49 ASP HA 1 50 ASP H 2.400 . 3.600 2.823 2.174 3.494 . 0 0 "[ . 1 . 2]" 1 546 1 49 ASP HA 1 51 VAL H 6.000 . 6.000 5.090 3.700 6.067 0.067 6 0 "[ . 1 . 2]" 1 547 1 49 ASP HA 1 65 ASN HD21 5.000 . 6.000 2.404 1.689 3.822 . 0 0 "[ . 1 . 2]" 1 548 1 49 ASP HA 1 65 ASN HD22 5.300 . 6.000 2.772 2.058 3.742 . 0 0 "[ . 1 . 2]" 1 549 1 49 ASP HA 1 66 CYS H 6.000 . 6.000 6.097 6.020 6.201 0.201 5 0 "[ . 1 . 2]" 1 550 1 49 ASP QB 1 50 ASP H 4.000 . 6.000 2.528 1.619 3.931 . 0 0 "[ . 1 . 2]" 1 551 1 49 ASP QB 1 61 ILE HG13 4.900 . 6.000 4.082 2.175 5.837 . 0 0 "[ . 1 . 2]" 1 552 1 49 ASP QB 1 65 ASN HD21 5.300 . 6.000 3.794 2.411 5.590 . 0 0 "[ . 1 . 2]" 1 553 1 49 ASP QB 1 65 ASN HD22 5.600 . 6.000 4.027 2.599 5.472 . 0 0 "[ . 1 . 2]" 1 554 1 50 ASP H 1 50 ASP HA 2.800 . 4.300 2.884 2.253 2.948 . 0 0 "[ . 1 . 2]" 1 555 1 50 ASP H 1 50 ASP HB2 3.000 . 4.600 2.831 2.133 3.272 . 0 0 "[ . 1 . 2]" 1 556 1 50 ASP H 1 50 ASP HB3 3.800 . 6.000 2.983 2.475 3.886 . 0 0 "[ . 1 . 2]" 1 557 1 50 ASP H 1 51 VAL H 6.000 . 6.000 3.293 1.751 4.461 . 0 0 "[ . 1 . 2]" 1 558 1 50 ASP HA 1 50 ASP HB2 2.700 . 4.100 2.620 2.453 2.926 . 0 0 "[ . 1 . 2]" 1 559 1 50 ASP HA 1 50 ASP HB3 3.000 . 4.700 2.973 2.755 3.030 . 0 0 "[ . 1 . 2]" 1 560 1 50 ASP HA 1 51 VAL H 2.500 . 3.800 2.623 2.123 3.529 . 0 0 "[ . 1 . 2]" 1 561 1 50 ASP HB2 1 51 VAL H 4.200 . 6.000 4.313 3.164 4.638 . 0 0 "[ . 1 . 2]" 1 562 1 50 ASP HB3 1 51 VAL H 6.000 . 6.000 3.914 1.739 4.454 . 0 0 "[ . 1 . 2]" 1 563 1 50 ASP HB3 1 51 VAL HA 3.900 . 6.000 3.991 3.824 4.210 . 0 0 "[ . 1 . 2]" 1 564 1 51 VAL H 1 51 VAL HB 3.600 . 5.700 3.236 2.525 3.805 . 0 0 "[ . 1 . 2]" 1 565 1 51 VAL H 1 52 THR H 6.000 . 6.000 3.501 2.319 4.498 . 0 0 "[ . 1 . 2]" 1 566 1 51 VAL HA 1 51 VAL HB 2.700 . 4.100 2.767 2.361 3.030 . 0 0 "[ . 1 . 2]" 1 567 1 51 VAL HA 1 52 THR H 4.100 . 6.000 2.535 2.117 3.522 . 0 0 "[ . 1 . 2]" 1 568 1 51 VAL HB 1 52 THR H 3.400 . 5.300 4.154 3.390 4.571 . 0 0 "[ . 1 . 2]" 1 569 1 52 THR H 1 52 THR HA 3.000 . 4.600 2.900 2.865 2.949 . 0 0 "[ . 1 . 2]" 1 570 1 52 THR HA 1 53 ASN H 3.000 . 4.600 3.215 2.165 3.568 . 0 0 "[ . 1 . 2]" 1 571 1 52 THR HB 1 53 ASN H 6.000 . 6.000 3.217 1.641 4.313 . 0 0 "[ . 1 . 2]" 1 572 1 52 THR HB 1 53 ASN HB2 4.600 . 6.000 4.068 3.190 5.044 . 0 0 "[ . 1 . 2]" 1 573 1 53 ASN H 1 53 ASN HB2 3.400 . 5.300 2.931 2.145 3.883 . 0 0 "[ . 1 . 2]" 1 574 1 53 ASN H 1 53 ASN HB3 3.700 . 5.900 2.988 2.234 3.625 . 0 0 "[ . 1 . 2]" 1 575 1 53 ASN H 1 53 ASN HD22 6.000 . 6.000 5.736 3.672 6.383 0.383 8 0 "[ . 1 . 2]" 1 576 1 53 ASN H 1 54 THR H 6.000 . 6.000 3.277 1.785 4.583 . 0 0 "[ . 1 . 2]" 1 577 1 53 ASN HA 1 53 ASN HB2 2.700 . 4.100 2.608 2.257 3.022 . 0 0 "[ . 1 . 2]" 1 578 1 53 ASN HA 1 53 ASN HB3 2.700 . 4.100 2.904 2.454 3.025 . 0 0 "[ . 1 . 2]" 1 579 1 53 ASN HA 1 54 THR H 2.900 . 4.500 2.962 2.153 3.570 . 0 0 "[ . 1 . 2]" 1 580 1 53 ASN HB2 1 53 ASN HD21 3.100 . 4.800 2.477 2.103 3.430 . 0 0 "[ . 1 . 2]" 1 581 1 53 ASN HB2 1 54 THR H 6.000 . 6.000 3.835 2.486 4.591 . 0 0 "[ . 1 . 2]" 1 582 1 53 ASN HB3 1 53 ASN HD21 3.500 . 5.600 2.752 2.125 3.473 . 0 0 "[ . 1 . 2]" 1 583 1 53 ASN HB3 1 54 THR H 3.600 . 5.700 3.098 1.551 4.274 . 0 0 "[ . 1 . 2]" 1 584 1 54 THR H 1 54 THR HA 2.900 . 4.400 2.891 2.852 2.947 . 0 0 "[ . 1 . 2]" 1 585 1 54 THR H 1 55 GLY H 3.300 . 5.200 3.524 2.137 4.576 . 0 0 "[ . 1 . 2]" 1 586 1 54 THR HA 1 55 GLY H 2.900 . 4.400 2.685 2.127 3.547 . 0 0 "[ . 1 . 2]" 1 587 1 54 THR HB 1 55 GLY H 6.000 . 6.000 3.711 1.775 4.317 . 0 0 "[ . 1 . 2]" 1 588 1 55 GLY H 1 55 GLY HA2 2.700 . 4.100 2.682 2.291 2.956 . 0 0 "[ . 1 . 2]" 1 589 1 55 GLY H 1 56 ASN H 3.400 . 5.300 3.768 2.225 4.624 . 0 0 "[ . 1 . 2]" 1 590 1 55 GLY HA2 1 56 ASN H 2.800 . 4.300 2.447 2.129 3.347 . 0 0 "[ . 1 . 2]" 1 591 1 55 GLY HA3 1 56 ASN H 6.000 . 6.000 3.144 2.141 3.566 . 0 0 "[ . 1 . 2]" 1 592 1 56 ASN H 1 56 ASN HB3 3.900 . 6.000 2.972 2.727 3.554 . 0 0 "[ . 1 . 2]" 1 593 1 56 ASN H 1 56 ASN HD22 4.600 . 6.000 5.620 3.419 6.364 0.364 16 0 "[ . 1 . 2]" 1 594 1 56 ASN H 1 57 SER H 6.000 . 6.000 3.349 2.104 4.599 . 0 0 "[ . 1 . 2]" 1 595 1 56 ASN HA 1 57 SER H 2.700 . 4.100 3.147 2.131 3.578 . 0 0 "[ . 1 . 2]" 1 596 1 56 ASN HA 1 58 PHE H 5.500 . 6.000 4.603 3.449 5.778 . 0 0 "[ . 1 . 2]" 1 597 1 56 ASN HB2 1 56 ASN HD21 3.500 . 5.500 2.725 2.112 3.352 . 0 0 "[ . 1 . 2]" 1 598 1 56 ASN HB2 1 57 SER H 4.200 . 6.000 3.399 1.649 4.569 . 0 0 "[ . 1 . 2]" 1 599 1 56 ASN HB2 1 58 PHE H 5.300 . 6.000 4.665 3.657 5.969 . 0 0 "[ . 1 . 2]" 1 600 1 56 ASN HB3 1 57 SER H 3.100 . 4.800 2.573 1.451 4.014 . 0 0 "[ . 1 . 2]" 1 601 1 56 ASN HB3 1 58 PHE H 6.000 . 6.000 3.731 2.255 5.181 . 0 0 "[ . 1 . 2]" 1 602 1 57 SER H 1 57 SER HA 3.000 . 4.600 2.898 2.862 2.950 . 0 0 "[ . 1 . 2]" 1 603 1 57 SER H 1 58 PHE H 2.900 . 4.500 2.312 1.785 2.742 . 0 0 "[ . 1 . 2]" 1 604 1 57 SER HA 1 58 PHE H 2.900 . 4.400 3.437 3.278 3.562 . 0 0 "[ . 1 . 2]" 1 605 1 57 SER HA 1 58 PHE QB 4.400 . 6.000 4.778 4.633 5.138 . 0 0 "[ . 1 . 2]" 1 606 1 57 SER QB 1 58 PHE H 3.100 . 4.800 3.108 2.140 3.576 . 0 0 "[ . 1 . 2]" 1 607 1 58 PHE H 1 58 PHE HA 3.000 . 4.700 2.896 2.847 2.931 . 0 0 "[ . 1 . 2]" 1 608 1 58 PHE H 1 58 PHE QB 2.700 . 4.100 2.800 2.180 3.310 . 0 0 "[ . 1 . 2]" 1 609 1 58 PHE H 1 59 LEU H 4.700 . 6.000 4.230 3.664 4.393 . 0 0 "[ . 1 . 2]" 1 610 1 58 PHE HA 1 58 PHE QB 2.300 . 3.500 2.416 2.169 2.541 . 0 0 "[ . 1 . 2]" 1 611 1 58 PHE HA 1 59 LEU H 2.300 . 3.400 2.287 2.101 2.727 . 0 0 "[ . 1 . 2]" 1 612 1 58 PHE HA 1 59 LEU HG 4.400 . 6.000 4.840 3.142 6.062 0.062 4 0 "[ . 1 . 2]" 1 613 1 58 PHE QB 1 59 LEU H 3.300 . 5.200 3.177 1.979 3.896 . 0 0 "[ . 1 . 2]" 1 614 1 58 PHE QB 1 59 LEU HA 3.800 . 6.000 4.319 3.912 4.828 . 0 0 "[ . 1 . 2]" 1 615 1 59 LEU H 1 59 LEU HA 3.000 . 4.600 2.934 2.905 2.950 . 0 0 "[ . 1 . 2]" 1 616 1 59 LEU H 1 59 LEU HB2 3.300 . 5.200 2.567 2.252 3.722 . 0 0 "[ . 1 . 2]" 1 617 1 59 LEU H 1 59 LEU HB3 3.600 . 5.800 3.491 3.165 3.729 . 0 0 "[ . 1 . 2]" 1 618 1 59 LEU H 1 59 LEU HG 3.500 . 5.500 3.650 2.032 4.766 . 0 0 "[ . 1 . 2]" 1 619 1 59 LEU H 1 60 ILE H 6.000 . 6.000 4.242 3.852 4.508 . 0 0 "[ . 1 . 2]" 1 620 1 59 LEU H 1 60 ILE H 6.000 . 6.000 3.772 3.422 3.975 . 0 0 "[ . 1 . 2]" 1 621 1 59 LEU HA 1 59 LEU HG 2.900 . 4.400 2.678 2.140 3.649 . 0 0 "[ . 1 . 2]" 1 622 1 59 LEU HA 1 60 ILE H 2.900 . 4.500 2.184 2.131 2.289 . 0 0 "[ . 1 . 2]" 1 623 1 59 LEU HA 1 60 ILE HB 3.800 . 6.000 4.667 4.269 5.519 . 0 0 "[ . 1 . 2]" 1 624 1 59 LEU HB2 1 60 ILE H 6.000 . 6.000 4.334 3.475 4.614 . 0 0 "[ . 1 . 2]" 1 625 1 60 ILE H 1 60 ILE HB 2.700 . 4.100 2.590 2.246 3.467 . 0 0 "[ . 1 . 2]" 1 626 1 60 ILE H 1 60 ILE HG12 3.800 . 6.000 3.822 2.190 4.745 . 0 0 "[ . 1 . 2]" 1 627 1 60 ILE H 1 60 ILE HG13 3.400 . 5.300 3.068 1.515 4.365 . 0 0 "[ . 1 . 2]" 1 628 1 60 ILE HA 1 60 ILE HG12 3.400 . 5.400 3.223 2.579 3.461 . 0 0 "[ . 1 . 2]" 1 629 1 60 ILE HA 1 60 ILE HG13 3.400 . 5.300 2.652 2.074 3.790 . 0 0 "[ . 1 . 2]" 1 630 1 60 ILE HA 1 61 ILE H 2.300 . 3.500 2.172 2.104 2.409 . 0 0 "[ . 1 . 2]" 1 631 1 60 ILE HB 1 60 ILE HG13 2.500 . 3.800 2.774 2.418 2.997 . 0 0 "[ . 1 . 2]" 1 632 1 60 ILE HB 1 61 ILE H 6.000 . 6.000 4.312 3.252 4.492 . 0 0 "[ . 1 . 2]" 1 633 1 60 ILE HG12 1 61 ILE H 6.000 . 6.000 5.038 3.463 5.569 . 0 0 "[ . 1 . 2]" 1 634 1 61 ILE H 1 61 ILE HA 2.900 . 4.400 2.918 2.875 2.951 . 0 0 "[ . 1 . 2]" 1 635 1 61 ILE H 1 61 ILE HB 2.600 . 3.900 2.684 2.216 3.606 . 0 0 "[ . 1 . 2]" 1 636 1 61 ILE H 1 61 ILE HG12 3.700 . 5.900 3.598 1.776 4.775 . 0 0 "[ . 1 . 2]" 1 637 1 61 ILE H 1 61 ILE HG13 3.100 . 4.800 2.742 1.483 3.976 . 0 0 "[ . 1 . 2]" 1 638 1 61 ILE HA 1 61 ILE HG12 2.800 . 4.300 3.041 2.316 3.757 . 0 0 "[ . 1 . 2]" 1 639 1 61 ILE HA 1 62 ASN H 3.000 . 4.600 2.286 2.145 2.789 . 0 0 "[ . 1 . 2]" 1 640 1 61 ILE HB 1 61 ILE HG13 2.900 . 4.400 2.651 2.414 2.964 . 0 0 "[ . 1 . 2]" 1 641 1 61 ILE HB 1 62 ASN H 6.000 . 6.000 3.644 1.867 4.284 . 0 0 "[ . 1 . 2]" 1 642 1 61 ILE HG12 1 62 ASN H 5.000 . 6.000 4.433 3.586 5.144 . 0 0 "[ . 1 . 2]" 1 643 1 61 ILE HG13 1 62 ASN H 6.000 . 6.000 4.603 3.715 5.408 . 0 0 "[ . 1 . 2]" 1 644 1 62 ASN H 1 62 ASN HA 3.000 . 4.600 2.891 2.800 2.950 . 0 0 "[ . 1 . 2]" 1 645 1 62 ASN H 1 62 ASN HB2 2.600 . 4.000 2.408 2.123 2.722 . 0 0 "[ . 1 . 2]" 1 646 1 62 ASN H 1 62 ASN HB3 3.000 . 4.600 2.856 2.509 3.202 . 0 0 "[ . 1 . 2]" 1 647 1 62 ASN H 1 62 ASN HD21 6.000 . 6.000 4.761 4.324 5.093 . 0 0 "[ . 1 . 2]" 1 648 1 62 ASN H 1 65 ASN QB 6.000 . 6.000 4.398 3.106 5.870 . 0 0 "[ . 1 . 2]" 1 649 1 62 ASN H 1 65 ASN HD21 4.400 . 6.000 4.243 3.202 5.291 . 0 0 "[ . 1 . 2]" 1 650 1 62 ASN H 1 65 ASN HD22 4.300 . 6.000 4.437 2.072 6.011 0.011 14 0 "[ . 1 . 2]" 1 651 1 62 ASN HA 1 62 ASN HB2 3.000 . 4.600 2.649 2.476 2.825 . 0 0 "[ . 1 . 2]" 1 652 1 62 ASN HA 1 62 ASN HD21 4.600 . 6.000 4.055 3.016 4.475 . 0 0 "[ . 1 . 2]" 1 653 1 62 ASN HA 1 62 ASN HD22 5.000 . 6.000 4.331 3.734 4.706 . 0 0 "[ . 1 . 2]" 1 654 1 62 ASN HA 1 63 ALA H 2.300 . 3.400 2.529 2.158 3.296 . 0 0 "[ . 1 . 2]" 1 655 1 62 ASN HA 1 64 ALA H 6.000 . 6.000 4.222 3.650 4.866 . 0 0 "[ . 1 . 2]" 1 656 1 62 ASN HB2 1 63 ALA H 4.500 . 6.000 4.218 3.816 4.582 . 0 0 "[ . 1 . 2]" 1 657 1 62 ASN HB2 1 65 ASN H 5.100 . 6.000 5.301 4.298 6.706 0.706 1 2 "[+ - 1 . 2]" 1 658 1 62 ASN HB2 1 65 ASN HD21 6.000 . 6.000 4.973 3.404 6.087 0.087 15 0 "[ . 1 . 2]" 1 659 1 62 ASN HB2 1 65 ASN HD22 4.200 . 6.000 5.133 3.398 6.047 0.047 20 0 "[ . 1 . 2]" 1 660 1 62 ASN HB3 1 63 ALA H 4.200 . 6.000 3.794 2.920 4.278 . 0 0 "[ . 1 . 2]" 1 661 1 62 ASN HB3 1 64 ALA H 6.000 . 6.000 3.187 2.182 4.196 . 0 0 "[ . 1 . 2]" 1 662 1 62 ASN HB3 1 65 ASN HD21 6.000 . 6.000 4.465 2.398 6.086 0.086 12 0 "[ . 1 . 2]" 1 663 1 62 ASN HB3 1 65 ASN HD22 4.000 . 6.000 4.750 2.187 6.037 0.037 11 0 "[ . 1 . 2]" 1 664 1 62 ASN HD22 1 64 ALA H 5.700 . 6.000 5.157 3.370 6.657 0.657 16 1 "[ . 1 .+ 2]" 1 665 1 63 ALA H 1 64 ALA H 3.000 . 4.600 3.143 2.556 4.039 . 0 0 "[ . 1 . 2]" 1 666 1 63 ALA HA 1 64 ALA H 3.700 . 5.900 3.266 2.505 3.589 . 0 0 "[ . 1 . 2]" 1 667 1 63 ALA HA 1 65 ASN H 3.900 . 6.000 3.985 3.477 4.734 . 0 0 "[ . 1 . 2]" 1 668 1 63 ALA HA 1 66 CYS H 3.600 . 5.700 3.892 2.868 5.347 . 0 0 "[ . 1 . 2]" 1 669 1 63 ALA HA 1 66 CYS HB2 3.400 . 5.400 3.904 2.148 5.519 0.119 3 0 "[ . 1 . 2]" 1 670 1 63 ALA HA 1 66 CYS HB3 3.700 . 5.900 4.143 2.095 5.913 0.013 20 0 "[ . 1 . 2]" 1 671 1 64 ALA H 1 65 ASN H 6.000 . 6.000 2.593 2.077 3.537 . 0 0 "[ . 1 . 2]" 1 672 1 64 ALA H 1 66 CYS H 4.900 . 6.000 3.954 2.480 5.199 . 0 0 "[ . 1 . 2]" 1 673 1 64 ALA HA 1 65 ASN H 3.700 . 5.900 3.272 2.589 3.569 . 0 0 "[ . 1 . 2]" 1 674 1 64 ALA HA 1 66 CYS H 3.800 . 6.000 3.915 3.280 4.711 . 0 0 "[ . 1 . 2]" 1 675 1 65 ASN H 1 65 ASN QB 3.100 . 4.100 2.636 2.146 3.091 . 0 0 "[ . 1 . 2]" 1 676 1 65 ASN H 1 65 ASN HD21 3.700 . 5.900 4.193 2.370 5.105 . 0 0 "[ . 1 . 2]" 1 677 1 65 ASN H 1 65 ASN HD22 5.500 . 6.000 4.749 3.451 6.041 0.041 5 0 "[ . 1 . 2]" 1 678 1 65 ASN H 1 66 CYS H 2.600 . 4.000 2.190 1.665 2.592 . 0 0 "[ . 1 . 2]" 1 679 1 65 ASN HA 1 65 ASN QB 2.600 . 4.000 2.353 2.169 2.539 . 0 0 "[ . 1 . 2]" 1 680 1 65 ASN HA 1 66 CYS H 3.200 . 5.000 3.266 2.934 3.528 . 0 0 "[ . 1 . 2]" 1 681 1 65 ASN QB 1 66 CYS H 4.700 . 5.300 3.467 2.300 3.792 . 0 0 "[ . 1 . 2]" 1 682 1 65 ASN QB 1 66 CYS HA 6.000 . 6.000 4.315 3.896 4.623 . 0 0 "[ . 1 . 2]" 1 683 1 66 CYS H 1 66 CYS HA 3.000 . 4.600 2.915 2.871 2.945 . 0 0 "[ . 1 . 2]" 1 684 1 66 CYS H 1 66 CYS HB2 3.600 . 5.700 2.698 2.389 3.003 . 0 0 "[ . 1 . 2]" 1 685 1 66 CYS H 1 66 CYS HB3 3.200 . 5.000 3.097 2.245 3.723 . 0 0 "[ . 1 . 2]" 1 686 1 66 CYS H 1 67 VAL H 5.400 . 6.000 4.455 4.150 4.623 . 0 0 "[ . 1 . 2]" 1 687 1 66 CYS HA 1 66 CYS HB2 2.800 . 4.200 2.739 2.339 3.031 . 0 0 "[ . 1 . 2]" 1 688 1 66 CYS HA 1 66 CYS HB3 3.000 . 4.700 2.778 2.278 3.030 . 0 0 "[ . 1 . 2]" 1 689 1 66 CYS HA 1 67 VAL H 2.400 . 3.600 2.249 2.139 2.538 . 0 0 "[ . 1 . 2]" 1 690 1 66 CYS HA 1 67 VAL HA 5.300 . 6.000 4.366 4.300 4.441 . 0 0 "[ . 1 . 2]" 1 691 1 66 CYS HB2 1 67 VAL H 3.500 . 5.600 4.123 3.567 4.452 . 0 0 "[ . 1 . 2]" 1 692 1 66 CYS HB3 1 67 VAL H 3.400 . 5.400 3.605 2.568 4.339 . 0 0 "[ . 1 . 2]" 1 693 1 67 VAL H 1 67 VAL HA 3.000 . 4.600 2.911 2.870 2.952 . 0 0 "[ . 1 . 2]" 1 694 1 67 VAL H 1 67 VAL HB 3.100 . 4.800 3.397 2.354 3.752 . 0 0 "[ . 1 . 2]" 1 695 1 67 VAL H 1 68 ALA H 3.100 . 4.800 2.888 2.094 4.538 . 0 0 "[ . 1 . 2]" 1 696 1 67 VAL HA 1 67 VAL HB 2.700 . 4.100 2.633 2.471 3.025 . 0 0 "[ . 1 . 2]" 1 697 1 67 VAL HA 1 68 ALA H 6.000 . 6.000 3.207 2.144 3.569 . 0 0 "[ . 1 . 2]" 1 698 1 67 VAL HB 1 68 ALA H 3.500 . 5.500 3.215 1.488 4.405 0.012 15 0 "[ . 1 . 2]" 1 stop_ save_
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