NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
617128 | 5x37 | 36053 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5x37 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 734 _Distance_constraint_stats_list.Viol_count 310 _Distance_constraint_stats_list.Viol_total 113.971 _Distance_constraint_stats_list.Viol_max 0.103 _Distance_constraint_stats_list.Viol_rms 0.0039 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0004 _Distance_constraint_stats_list.Viol_average_violations_only 0.0184 _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 THR 0.037 0.017 11 0 "[ . 1 . 2]" 1 2 GLN 1.025 0.103 6 0 "[ . 1 . 2]" 1 3 SER 0.279 0.086 15 0 "[ . 1 . 2]" 1 4 HIS 0.078 0.021 10 0 "[ . 1 . 2]" 1 5 TYR 0.214 0.035 13 0 "[ . 1 . 2]" 1 6 GLY 0.076 0.039 17 0 "[ . 1 . 2]" 1 7 GLN 0.603 0.103 6 0 "[ . 1 . 2]" 1 8 CYS 0.236 0.043 19 0 "[ . 1 . 2]" 1 9 GLY 0.293 0.036 19 0 "[ . 1 . 2]" 1 10 GLY 0.070 0.031 12 0 "[ . 1 . 2]" 1 11 ILE 0.080 0.027 18 0 "[ . 1 . 2]" 1 12 GLY 0.155 0.031 12 0 "[ . 1 . 2]" 1 13 TYR 0.355 0.041 3 0 "[ . 1 . 2]" 1 14 SER 0.092 0.041 13 0 "[ . 1 . 2]" 1 15 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 16 PRO 0.054 0.018 10 0 "[ . 1 . 2]" 1 17 THR 0.316 0.043 19 0 "[ . 1 . 2]" 1 18 VAL 0.017 0.017 11 0 "[ . 1 . 2]" 1 19 CYS 0.286 0.039 16 0 "[ . 1 . 2]" 1 20 ALA 0.051 0.028 7 0 "[ . 1 . 2]" 1 21 SER 0.033 0.028 7 0 "[ . 1 . 2]" 1 22 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 23 THR 0.229 0.039 16 0 "[ . 1 . 2]" 1 24 THR 0.454 0.039 6 0 "[ . 1 . 2]" 1 25 CYS 0.030 0.015 17 0 "[ . 1 . 2]" 1 26 GLN 0.162 0.037 3 0 "[ . 1 . 2]" 1 27 VAL 0.259 0.037 3 0 "[ . 1 . 2]" 1 28 LEU 1.114 0.103 6 0 "[ . 1 . 2]" 1 29 ASN 0.504 0.103 6 0 "[ . 1 . 2]" 1 30 PRO 0.088 0.009 5 0 "[ . 1 . 2]" 1 31 TYR 0.002 0.002 8 0 "[ . 1 . 2]" 1 32 TYR 0.615 0.041 3 0 "[ . 1 . 2]" 1 33 SER 0.144 0.032 20 0 "[ . 1 . 2]" 1 34 GLN 0.384 0.039 17 0 "[ . 1 . 2]" 1 35 CYS 2.132 0.088 10 0 "[ . 1 . 2]" 1 36 LEU 0.181 0.035 13 0 "[ . 1 . 2]" 2 1 MAN 0.131 0.041 13 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 THR HA 1 1 THR HB 2.650 . 3.500 2.841 2.522 3.040 . 0 0 "[ . 1 . 2]" 1 2 1 1 THR HA 1 1 THR MG 2.650 . 2.800 2.285 2.182 2.338 . 0 0 "[ . 1 . 2]" 1 3 1 1 THR HA 1 2 GLN H 3.150 . 4.500 2.308 2.117 2.511 . 0 0 "[ . 1 . 2]" 1 4 1 1 THR HA 1 2 GLN HB2 3.650 . 5.500 3.717 3.188 4.126 . 0 0 "[ . 1 . 2]" 1 5 1 1 THR HA 1 19 CYS H 3.650 . 5.500 3.735 3.615 3.833 . 0 0 "[ . 1 . 2]" 1 6 1 1 THR HA 1 17 THR H 4.150 . 6.500 5.686 5.173 6.505 0.005 9 0 "[ . 1 . 2]" 1 7 1 1 THR HA 1 18 VAL HB 3.650 . 4.500 3.328 2.917 4.002 . 0 0 "[ . 1 . 2]" 1 8 1 1 THR HA 1 18 VAL MG1 3.150 . 4.500 3.749 3.238 4.478 . 0 0 "[ . 1 . 2]" 1 9 1 1 THR HA 1 19 CYS HA 3.650 . 5.500 4.390 3.760 5.158 . 0 0 "[ . 1 . 2]" 1 10 1 1 THR HB 1 2 GLN H 3.150 . 4.500 3.457 2.349 4.289 . 0 0 "[ . 1 . 2]" 1 11 1 1 THR HB 1 18 VAL HB 2.650 . 3.500 3.019 2.969 3.037 . 0 0 "[ . 1 . 2]" 1 12 1 1 THR HB 1 19 CYS HB2 3.650 . 5.500 4.216 4.034 4.324 . 0 0 "[ . 1 . 2]" 1 13 1 1 THR HB 1 20 ALA MB 3.150 . 4.500 3.775 2.942 4.515 0.015 18 0 "[ . 1 . 2]" 1 14 1 1 THR MG 1 2 GLN H 3.650 . 5.500 3.023 2.237 3.707 . 0 0 "[ . 1 . 2]" 1 15 1 1 THR MG 1 3 SER HA 3.150 . 4.500 3.934 3.528 4.203 . 0 0 "[ . 1 . 2]" 1 16 1 1 THR MG 1 18 VAL HB 3.150 . 4.500 3.361 2.549 4.517 0.017 11 0 "[ . 1 . 2]" 1 17 1 1 THR MG 1 18 VAL MG1 2.650 . 3.500 2.554 2.111 3.415 . 0 0 "[ . 1 . 2]" 1 18 1 1 THR MG 1 20 ALA H 3.650 . 5.500 3.562 2.737 4.664 . 0 0 "[ . 1 . 2]" 1 19 1 1 THR MG 1 20 ALA HA 2.650 . 3.500 2.307 1.855 3.087 . 0 0 "[ . 1 . 2]" 1 20 1 1 THR MG 1 21 SER H 3.650 . 5.500 3.654 3.077 4.158 . 0 0 "[ . 1 . 2]" 1 21 1 2 GLN H 1 2 GLN HB2 3.150 . 4.500 2.380 2.164 2.791 . 0 0 "[ . 1 . 2]" 1 22 1 2 GLN H 1 2 GLN HB3 3.650 . 4.500 2.797 2.631 3.087 . 0 0 "[ . 1 . 2]" 1 23 1 2 GLN HA 1 2 GLN HB2 2.300 . 2.800 2.215 2.108 2.288 . 0 0 "[ . 1 . 2]" 1 24 1 2 GLN HA 1 2 GLN HE21 3.150 . 4.500 3.307 3.104 3.405 . 0 0 "[ . 1 . 2]" 1 25 1 2 GLN HA 1 2 GLN HE22 3.650 . 5.500 4.320 3.958 4.532 . 0 0 "[ . 1 . 2]" 1 26 1 2 GLN HA 1 3 SER H 2.650 . 3.500 2.236 2.136 2.392 . 0 0 "[ . 1 . 2]" 1 27 1 2 GLN QB 1 2 GLN HG3 2.650 . 3.500 2.190 2.157 2.340 . 0 0 "[ . 1 . 2]" 1 28 1 2 GLN QB 1 20 ALA H 3.650 . 5.500 4.146 3.768 4.765 . 0 0 "[ . 1 . 2]" 1 29 1 2 GLN HB2 1 2 GLN HE21 2.650 . 3.500 2.877 2.055 3.281 . 0 0 "[ . 1 . 2]" 1 30 1 2 GLN HB2 1 2 GLN HE22 3.650 . 5.500 3.807 3.007 4.599 . 0 0 "[ . 1 . 2]" 1 31 1 2 GLN HB2 1 2 GLN HG2 2.650 . 3.500 2.566 2.415 3.020 . 0 0 "[ . 1 . 2]" 1 32 1 2 GLN HB2 1 8 CYS HA 3.150 . 4.500 3.171 2.769 3.727 . 0 0 "[ . 1 . 2]" 1 33 1 2 GLN HB2 1 8 CYS HA 3.150 . 4.500 3.256 2.779 3.975 . 0 0 "[ . 1 . 2]" 1 34 1 2 GLN HB2 1 8 CYS HB3 3.650 . 5.500 4.501 3.760 5.466 . 0 0 "[ . 1 . 2]" 1 35 1 2 GLN HB2 1 16 PRO HD2 3.650 . 4.500 2.990 2.802 3.140 . 0 0 "[ . 1 . 2]" 1 36 1 2 GLN HB2 1 16 PRO HG2 2.300 . 2.800 2.284 2.236 2.328 . 0 0 "[ . 1 . 2]" 1 37 1 2 GLN HB2 1 19 CYS HA 3.150 . 4.500 3.567 2.878 4.267 . 0 0 "[ . 1 . 2]" 1 38 1 2 GLN HB3 1 2 GLN HE21 2.300 . 2.800 1.956 1.773 2.325 0.027 5 0 "[ . 1 . 2]" 1 39 1 2 GLN HB3 1 2 GLN HE21 2.650 . 3.500 1.965 1.753 2.600 0.047 4 0 "[ . 1 . 2]" 1 40 1 2 GLN HB3 1 2 GLN HE22 3.650 . 5.500 3.249 2.744 3.488 . 0 0 "[ . 1 . 2]" 1 41 1 2 GLN HB3 1 2 GLN HG2 2.300 . 2.800 2.239 2.125 2.270 . 0 0 "[ . 1 . 2]" 1 42 1 2 GLN HB3 1 3 SER H 3.150 . 4.500 3.669 3.409 3.871 . 0 0 "[ . 1 . 2]" 1 43 1 2 GLN HB3 1 8 CYS HA 3.150 . 4.500 3.133 2.728 3.468 . 0 0 "[ . 1 . 2]" 1 44 1 2 GLN HB3 1 8 CYS HB3 3.650 . 5.500 3.663 2.979 4.812 . 0 0 "[ . 1 . 2]" 1 45 1 2 GLN HB3 1 19 CYS HA 3.150 . 3.500 2.685 2.252 3.061 . 0 0 "[ . 1 . 2]" 1 46 1 2 GLN HB3 1 35 CYS H 3.150 . 4.500 3.973 3.826 4.099 . 0 0 "[ . 1 . 2]" 1 47 1 2 GLN HE21 1 2 GLN HG2 2.650 . 3.500 3.266 2.817 3.372 . 0 0 "[ . 1 . 2]" 1 48 1 2 GLN HE21 1 2 GLN HG3 3.150 . 4.500 2.740 2.196 3.507 . 0 0 "[ . 1 . 2]" 1 49 1 2 GLN HE21 1 3 SER HB2 3.650 . 5.500 3.805 3.660 3.946 . 0 0 "[ . 1 . 2]" 1 50 1 2 GLN HE21 1 6 GLY HA3 2.650 . 3.500 2.710 2.546 2.909 . 0 0 "[ . 1 . 2]" 1 51 1 2 GLN HE21 1 8 CYS H 2.650 . 3.500 3.037 2.852 3.131 . 0 0 "[ . 1 . 2]" 1 52 1 2 GLN HE21 1 8 CYS HA 3.150 . 4.500 2.917 2.311 3.685 . 0 0 "[ . 1 . 2]" 1 53 1 2 GLN HE21 1 8 CYS HB3 3.150 . 4.500 2.605 2.304 3.077 . 0 0 "[ . 1 . 2]" 1 54 1 2 GLN HE21 1 8 CYS HB3 3.150 . 4.500 2.896 2.401 3.487 . 0 0 "[ . 1 . 2]" 1 55 1 2 GLN HE21 1 19 CYS HB3 3.150 . 4.500 3.489 3.390 3.560 . 0 0 "[ . 1 . 2]" 1 56 1 2 GLN HE22 1 2 GLN HG3 3.650 . 5.500 3.683 3.436 4.011 . 0 0 "[ . 1 . 2]" 1 57 1 2 GLN HE22 1 3 SER HB2 4.150 . 6.500 4.528 3.507 6.586 0.086 15 0 "[ . 1 . 2]" 1 58 1 2 GLN HE22 1 6 GLY HA3 3.650 . 5.500 2.376 1.798 4.429 0.002 1 0 "[ . 1 . 2]" 1 59 1 2 GLN HE22 1 7 GLN HB2 3.650 . 5.500 4.256 3.860 4.374 . 0 0 "[ . 1 . 2]" 1 60 1 2 GLN HE22 1 7 GLN HB3 4.150 . 6.500 5.526 4.056 6.409 . 0 0 "[ . 1 . 2]" 1 61 1 2 GLN HE22 1 7 GLN HG2 3.650 . 5.500 4.386 3.026 5.603 0.103 6 0 "[ . 1 . 2]" 1 62 1 2 GLN HE22 1 19 CYS HB3 4.150 . 6.500 5.793 5.177 6.539 0.039 16 0 "[ . 1 . 2]" 1 63 1 2 GLN HE22 1 35 CYS HB2 3.650 . 5.500 3.788 3.001 5.555 0.055 16 0 "[ . 1 . 2]" 1 64 1 2 GLN HG2 1 3 SER H 3.650 . 5.500 3.204 1.797 3.737 0.003 16 0 "[ . 1 . 2]" 1 65 1 2 GLN HG2 1 3 SER HB2 3.650 . 5.500 3.835 2.941 4.045 . 0 0 "[ . 1 . 2]" 1 66 1 2 GLN HG2 1 6 GLY HA3 3.650 . 5.500 4.767 2.774 5.499 . 0 0 "[ . 1 . 2]" 1 67 1 2 GLN HG2 1 6 GLY HA3 3.150 . 4.500 3.633 2.701 4.247 . 0 0 "[ . 1 . 2]" 1 68 1 2 GLN HG2 1 8 CYS HA 3.650 . 5.500 3.847 3.446 4.441 . 0 0 "[ . 1 . 2]" 1 69 1 2 GLN HG2 1 35 CYS HB2 3.650 . 5.500 4.789 4.249 4.928 . 0 0 "[ . 1 . 2]" 1 70 1 2 GLN HG3 1 3 SER H 3.150 . 4.500 4.143 2.626 4.526 0.026 5 0 "[ . 1 . 2]" 1 71 1 2 GLN HG3 1 6 GLY HA2 4.150 . 6.500 6.231 5.303 6.516 0.016 6 0 "[ . 1 . 2]" 1 72 1 2 GLN HG3 1 6 GLY HA3 3.650 . 5.500 4.838 3.854 5.125 . 0 0 "[ . 1 . 2]" 1 73 1 2 GLN HG3 1 8 CYS HA 3.650 . 5.500 2.715 1.958 5.526 0.026 15 0 "[ . 1 . 2]" 1 74 1 2 GLN HG3 1 16 PRO HD2 3.150 . 4.500 4.202 3.468 4.518 0.018 10 0 "[ . 1 . 2]" 1 75 1 3 SER H 1 3 SER QB 2.650 . 3.500 2.455 2.285 2.826 . 0 0 "[ . 1 . 2]" 1 76 1 3 SER H 1 3 SER HB2 3.150 . 4.500 2.385 2.121 2.500 . 0 0 "[ . 1 . 2]" 1 77 1 3 SER H 1 3 SER HB3 3.150 . 4.500 2.491 2.207 2.806 . 0 0 "[ . 1 . 2]" 1 78 1 3 SER HA 1 3 SER HB2 2.650 . 3.500 2.936 2.555 3.021 . 0 0 "[ . 1 . 2]" 1 79 1 3 SER HA 1 3 SER HB3 2.300 . 2.800 2.397 2.302 2.443 . 0 0 "[ . 1 . 2]" 1 80 1 3 SER HA 1 3 SER HB3 2.650 . 3.500 2.321 2.214 2.409 . 0 0 "[ . 1 . 2]" 1 81 1 3 SER HA 1 4 HIS H 2.650 . 3.500 2.343 2.229 2.526 . 0 0 "[ . 1 . 2]" 1 82 1 3 SER HA 1 20 ALA MB . . 2.800 2.406 2.158 2.709 . 0 0 "[ . 1 . 2]" 1 83 1 3 SER HA 1 20 ALA MB 2.650 . 3.500 3.023 2.493 3.508 0.008 2 0 "[ . 1 . 2]" 1 84 1 3 SER QB 1 4 HIS H 2.650 . 3.500 2.425 2.118 2.727 . 0 0 "[ . 1 . 2]" 1 85 1 4 HIS H 1 4 HIS HA 2.650 . 3.500 2.831 2.794 2.893 . 0 0 "[ . 1 . 2]" 1 86 1 4 HIS H 1 4 HIS HB2 2.650 . 3.500 2.377 2.264 2.545 . 0 0 "[ . 1 . 2]" 1 87 1 4 HIS H 1 4 HIS HB3 2.650 . 3.500 2.559 2.470 2.685 . 0 0 "[ . 1 . 2]" 1 88 1 4 HIS H 1 5 TYR H 3.650 . 5.500 4.559 4.495 4.598 . 0 0 "[ . 1 . 2]" 1 89 1 4 HIS H 1 20 ALA MB 3.650 . 4.500 3.763 3.362 4.241 . 0 0 "[ . 1 . 2]" 1 90 1 4 HIS H 1 23 THR MG 3.650 . 5.500 3.694 3.062 4.046 . 0 0 "[ . 1 . 2]" 1 91 1 4 HIS HA 1 4 HIS HB2 2.650 . 3.500 2.551 2.493 2.599 . 0 0 "[ . 1 . 2]" 1 92 1 4 HIS HA 1 4 HIS HB2 2.300 . 2.800 2.468 2.410 2.524 . 0 0 "[ . 1 . 2]" 1 93 1 4 HIS HA 1 4 HIS HB3 2.300 . 2.800 2.439 2.376 2.521 . 0 0 "[ . 1 . 2]" 1 94 1 4 HIS HA 1 4 HIS HD2 2.650 . 3.500 2.483 2.284 2.811 . 0 0 "[ . 1 . 2]" 1 95 1 4 HIS HA 1 4 HIS HD2 2.650 . 2.800 2.280 2.116 2.533 . 0 0 "[ . 1 . 2]" 1 96 1 4 HIS HA 1 5 TYR H 2.300 . 2.800 1.959 1.928 1.991 . 0 0 "[ . 1 . 2]" 1 97 1 4 HIS HA 1 35 CYS H 3.150 . 4.500 3.692 3.562 3.894 . 0 0 "[ . 1 . 2]" 1 98 1 4 HIS HA 1 35 CYS H 3.150 . 4.500 3.826 3.649 4.084 . 0 0 "[ . 1 . 2]" 1 99 1 4 HIS HA 1 23 THR MG 3.150 . 3.500 2.759 2.541 2.987 . 0 0 "[ . 1 . 2]" 1 100 1 4 HIS HA 1 35 CYS HB2 2.650 . 3.500 2.465 2.236 2.766 . 0 0 "[ . 1 . 2]" 1 101 1 4 HIS HA 1 35 CYS HB3 2.650 . 3.500 3.295 3.107 3.454 . 0 0 "[ . 1 . 2]" 1 102 1 4 HIS HB2 1 4 HIS HD2 3.150 . 4.500 3.454 3.102 3.776 . 0 0 "[ . 1 . 2]" 1 103 1 4 HIS HB2 1 4 HIS HD2 3.150 . 4.500 3.267 3.028 3.579 . 0 0 "[ . 1 . 2]" 1 104 1 4 HIS HB2 1 5 TYR H 3.650 . 5.500 4.318 4.250 4.413 . 0 0 "[ . 1 . 2]" 1 105 1 4 HIS HB2 1 5 TYR QE 3.650 . 5.500 4.314 4.263 4.384 . 0 0 "[ . 1 . 2]" 1 106 1 4 HIS HB2 1 23 THR MG 3.150 . 3.500 2.159 1.947 2.391 . 0 0 "[ . 1 . 2]" 1 107 1 4 HIS HB3 1 4 HIS HD2 3.150 . 4.500 3.870 3.663 3.977 . 0 0 "[ . 1 . 2]" 1 108 1 4 HIS HB3 1 4 HIS HE1 3.650 . 5.500 4.545 4.467 4.660 . 0 0 "[ . 1 . 2]" 1 109 1 4 HIS HB3 1 5 TYR H 3.150 . 4.500 3.657 3.606 3.714 . 0 0 "[ . 1 . 2]" 1 110 1 4 HIS HB3 1 5 TYR QE 3.650 . 4.500 4.098 3.884 4.288 . 0 0 "[ . 1 . 2]" 1 111 1 4 HIS HB3 1 6 GLY H 3.650 . 5.500 4.141 4.030 4.233 . 0 0 "[ . 1 . 2]" 1 112 1 4 HIS HB3 1 23 THR MG 3.650 . 4.500 3.616 3.503 3.795 . 0 0 "[ . 1 . 2]" 1 113 1 4 HIS HB3 1 23 THR MG 3.150 . 4.500 3.390 3.272 3.498 . 0 0 "[ . 1 . 2]" 1 114 1 4 HIS HD2 1 4 HIS HE1 3.650 . 5.500 3.750 3.185 4.048 . 0 0 "[ . 1 . 2]" 1 115 1 4 HIS HD2 1 5 TYR H 2.650 . 3.500 2.548 2.035 3.336 . 0 0 "[ . 1 . 2]" 1 116 1 4 HIS HD2 1 5 TYR HB2 3.650 . 5.500 5.179 4.401 5.521 0.021 10 0 "[ . 1 . 2]" 1 117 1 4 HIS HD2 1 6 GLY H 3.650 . 5.500 4.399 4.209 4.606 . 0 0 "[ . 1 . 2]" 1 118 1 4 HIS HD2 1 36 LEU QB 3.150 . 4.500 4.245 4.029 4.455 . 0 0 "[ . 1 . 2]" 1 119 1 4 HIS HD2 1 36 LEU MD2 2.650 . 3.500 2.870 2.470 3.213 . 0 0 "[ . 1 . 2]" 1 120 1 4 HIS HD2 1 36 LEU HG 3.650 . 5.500 4.615 4.323 4.908 . 0 0 "[ . 1 . 2]" 1 121 1 4 HIS HD2 1 20 ALA MB 3.650 . 5.500 4.768 4.574 5.032 . 0 0 "[ . 1 . 2]" 1 122 1 4 HIS HD2 1 23 THR HB 3.650 . 5.500 3.100 2.740 3.571 . 0 0 "[ . 1 . 2]" 1 123 1 4 HIS HD2 1 23 THR MG 3.150 . 3.500 2.721 2.277 3.117 . 0 0 "[ . 1 . 2]" 1 124 1 4 HIS HD2 1 34 GLN QG 3.650 . 5.500 4.559 4.112 5.066 . 0 0 "[ . 1 . 2]" 1 125 1 4 HIS HD2 1 35 CYS HB2 3.650 . 5.500 3.812 3.353 4.466 . 0 0 "[ . 1 . 2]" 1 126 1 4 HIS HD2 1 36 LEU HA 2.650 . 3.500 2.344 2.038 2.736 . 0 0 "[ . 1 . 2]" 1 127 1 4 HIS HD2 1 36 LEU QB 3.650 . 5.500 4.412 4.139 4.759 . 0 0 "[ . 1 . 2]" 1 128 1 4 HIS HD2 1 36 LEU MD2 3.150 . 4.500 3.420 2.995 3.872 . 0 0 "[ . 1 . 2]" 1 129 1 4 HIS HE1 1 5 TYR QE 3.650 . 5.500 3.077 2.507 3.958 . 0 0 "[ . 1 . 2]" 1 130 1 4 HIS HE1 1 23 THR MG 3.650 . 5.500 4.242 3.458 5.382 . 0 0 "[ . 1 . 2]" 1 131 1 4 HIS HE1 1 36 LEU HA 3.650 . 5.500 4.580 4.418 4.830 . 0 0 "[ . 1 . 2]" 1 132 1 4 HIS HE1 1 36 LEU MD2 3.650 . 5.500 4.334 3.988 4.566 . 0 0 "[ . 1 . 2]" 1 133 1 5 TYR H 1 5 TYR HB2 3.650 . 5.500 3.576 3.429 3.686 . 0 0 "[ . 1 . 2]" 1 134 1 5 TYR H 1 5 TYR QD 3.150 . 4.500 3.613 2.774 3.911 . 0 0 "[ . 1 . 2]" 1 135 1 5 TYR H 1 6 GLY H 3.150 . 4.500 2.626 2.496 2.791 . 0 0 "[ . 1 . 2]" 1 136 1 5 TYR H 1 23 THR MG 3.650 . 5.500 4.318 4.083 4.498 . 0 0 "[ . 1 . 2]" 1 137 1 5 TYR H 1 34 GLN QG 3.650 . 5.500 3.064 2.815 3.240 . 0 0 "[ . 1 . 2]" 1 138 1 5 TYR H 1 35 CYS HB2 3.150 . 4.500 2.823 2.555 3.036 . 0 0 "[ . 1 . 2]" 1 139 1 5 TYR H 1 35 CYS HB3 3.150 . 4.500 4.118 3.852 4.360 . 0 0 "[ . 1 . 2]" 1 140 1 5 TYR H 1 36 LEU MD2 3.650 . 5.500 3.562 3.193 3.952 . 0 0 "[ . 1 . 2]" 1 141 1 5 TYR HA 1 5 TYR HB2 2.650 . 3.500 3.007 2.953 3.024 . 0 0 "[ . 1 . 2]" 1 142 1 5 TYR HA 1 5 TYR QD 2.650 . 3.500 2.698 2.429 2.999 . 0 0 "[ . 1 . 2]" 1 143 1 5 TYR HA 1 5 TYR QE 3.650 . 5.500 4.477 4.385 4.637 . 0 0 "[ . 1 . 2]" 1 144 1 5 TYR HA 1 5 TYR QE 3.650 . 5.500 4.006 3.703 4.321 . 0 0 "[ . 1 . 2]" 1 145 1 5 TYR HA 1 5 TYR QE 3.650 . 5.500 4.276 4.167 4.388 . 0 0 "[ . 1 . 2]" 1 146 1 5 TYR HA 1 6 GLY H 3.150 . 4.500 2.930 2.359 3.169 . 0 0 "[ . 1 . 2]" 1 147 1 5 TYR HA 1 6 GLY H 2.300 . 2.800 2.587 2.254 2.694 . 0 0 "[ . 1 . 2]" 1 148 1 5 TYR HA 1 34 GLN HE21 3.150 . 4.500 2.982 2.552 3.341 . 0 0 "[ . 1 . 2]" 1 149 1 5 TYR HA 1 34 GLN HE21 3.650 . 5.500 3.107 2.587 3.520 . 0 0 "[ . 1 . 2]" 1 150 1 5 TYR HA 1 34 GLN HE22 3.150 . 4.500 3.551 3.253 3.846 . 0 0 "[ . 1 . 2]" 1 151 1 5 TYR HA 1 34 GLN QG 2.650 . 3.500 2.171 1.953 2.443 . 0 0 "[ . 1 . 2]" 1 152 1 5 TYR HB2 1 5 TYR QD 2.300 . 2.800 2.352 2.255 2.590 . 0 0 "[ . 1 . 2]" 1 153 1 5 TYR HB2 1 6 GLY H 3.650 . 5.500 4.074 3.766 4.581 . 0 0 "[ . 1 . 2]" 1 154 1 5 TYR HB2 1 34 GLN HE21 3.650 . 5.500 5.129 4.579 5.533 0.033 12 0 "[ . 1 . 2]" 1 155 1 5 TYR HB2 1 34 GLN HE22 3.650 . 5.500 5.200 4.860 5.501 0.001 1 0 "[ . 1 . 2]" 1 156 1 5 TYR HB3 1 5 TYR QD 2.300 . 2.800 2.472 2.267 2.605 . 0 0 "[ . 1 . 2]" 1 157 1 5 TYR HB3 1 34 GLN HE21 3.150 . 4.500 3.787 3.156 4.503 0.003 13 0 "[ . 1 . 2]" 1 158 1 5 TYR HB3 1 34 GLN HE22 3.150 . 4.500 3.610 3.149 4.188 . 0 0 "[ . 1 . 2]" 1 159 1 5 TYR QD 1 34 GLN HE21 3.150 . 4.500 3.593 2.391 4.419 . 0 0 "[ . 1 . 2]" 1 160 1 5 TYR QD 1 34 GLN QG 3.650 . 4.500 3.671 3.161 4.104 . 0 0 "[ . 1 . 2]" 1 161 1 5 TYR QD 1 36 LEU HA 3.650 . 5.500 4.815 3.880 5.355 . 0 0 "[ . 1 . 2]" 1 162 1 5 TYR QD 1 36 LEU MD2 2.650 . 3.500 3.116 2.553 3.535 0.035 13 0 "[ . 1 . 2]" 1 163 1 5 TYR QE 1 34 GLN QG 3.650 . 5.500 4.189 3.951 4.415 . 0 0 "[ . 1 . 2]" 1 164 1 5 TYR QE 1 36 LEU MD2 3.150 . 3.500 2.827 2.347 3.277 . 0 0 "[ . 1 . 2]" 1 165 1 6 GLY H 1 6 GLY HA3 2.300 . 2.800 2.440 2.352 2.658 . 0 0 "[ . 1 . 2]" 1 166 1 6 GLY H 1 35 CYS H 3.150 . 4.500 3.144 2.586 3.458 . 0 0 "[ . 1 . 2]" 1 167 1 6 GLY H 1 35 CYS HB2 3.150 . 4.500 3.073 2.721 3.486 . 0 0 "[ . 1 . 2]" 1 168 1 6 GLY H 1 35 CYS HB3 3.650 . 5.500 4.799 4.455 5.129 . 0 0 "[ . 1 . 2]" 1 169 1 6 GLY HA2 1 7 GLN H 2.300 . 2.800 2.385 2.268 2.504 . 0 0 "[ . 1 . 2]" 1 170 1 6 GLY HA2 1 34 GLN QG 3.150 . 4.500 3.383 3.141 3.541 . 0 0 "[ . 1 . 2]" 1 171 1 6 GLY HA2 1 34 GLN HB2 3.650 . 5.500 5.348 4.979 5.539 0.039 17 0 "[ . 1 . 2]" 1 172 1 7 GLN H 1 7 GLN HB2 2.300 . 2.800 2.513 2.400 2.627 . 0 0 "[ . 1 . 2]" 1 173 1 7 GLN H 1 7 GLN HB2 2.300 . 2.800 2.492 2.385 2.603 . 0 0 "[ . 1 . 2]" 1 174 1 7 GLN H 1 7 GLN HB3 2.650 . 3.500 2.485 2.429 2.562 . 0 0 "[ . 1 . 2]" 1 175 1 7 GLN H 1 32 TYR QE 3.650 . 5.500 4.237 3.385 5.081 . 0 0 "[ . 1 . 2]" 1 176 1 7 GLN HA 1 8 CYS HB3 3.150 . 4.500 3.720 3.612 3.843 . 0 0 "[ . 1 . 2]" 1 177 1 7 GLN HA 1 13 TYR QD 3.150 . 4.500 2.098 1.865 2.324 . 0 0 "[ . 1 . 2]" 1 178 1 7 GLN HA 1 7 GLN HB2 2.650 . 2.800 2.464 2.434 2.495 . 0 0 "[ . 1 . 2]" 1 179 1 7 GLN HA 1 7 GLN HE21 3.150 . 4.500 4.188 3.650 4.503 0.003 10 0 "[ . 1 . 2]" 1 180 1 7 GLN HA 1 7 GLN HG2 2.650 . 3.500 3.189 3.097 3.296 . 0 0 "[ . 1 . 2]" 1 181 1 7 GLN HA 1 7 GLN HG2 3.150 . 4.500 2.975 2.757 3.141 . 0 0 "[ . 1 . 2]" 1 182 1 7 GLN HA 1 7 GLN HG3 2.650 . 3.500 2.610 2.542 2.668 . 0 0 "[ . 1 . 2]" 1 183 1 7 GLN HA 1 8 CYS H 2.300 . 2.800 2.087 2.059 2.126 . 0 0 "[ . 1 . 2]" 1 184 1 7 GLN HA 1 9 GLY H 3.150 . 4.500 3.489 3.327 3.690 . 0 0 "[ . 1 . 2]" 1 185 1 7 GLN HA 1 33 SER H 3.150 . 4.500 3.605 3.338 3.796 . 0 0 "[ . 1 . 2]" 1 186 1 7 GLN HA 1 13 TYR QE 4.150 . 6.500 5.664 5.334 5.964 . 0 0 "[ . 1 . 2]" 1 187 1 7 GLN HA 1 32 TYR QE 3.150 . 4.500 4.050 3.575 4.517 0.017 15 0 "[ . 1 . 2]" 1 188 1 7 GLN HA 1 34 GLN QG 3.150 . 4.500 3.852 3.275 4.286 . 0 0 "[ . 1 . 2]" 1 189 1 7 GLN HA 1 35 CYS H 3.150 . 4.500 3.932 3.642 4.274 . 0 0 "[ . 1 . 2]" 1 190 1 7 GLN HB2 1 7 GLN HG2 2.650 . 3.500 3.009 2.986 3.020 . 0 0 "[ . 1 . 2]" 1 191 1 7 GLN HB2 1 7 GLN HG3 2.300 . 2.800 2.198 2.160 2.228 . 0 0 "[ . 1 . 2]" 1 192 1 7 GLN HB2 1 8 CYS H 3.650 . 5.500 4.306 4.208 4.364 . 0 0 "[ . 1 . 2]" 1 193 1 7 GLN HB2 1 8 CYS H 3.650 . 5.500 3.955 3.791 4.053 . 0 0 "[ . 1 . 2]" 1 194 1 7 GLN HB2 1 9 GLY H 4.150 . 6.500 5.367 4.726 5.599 . 0 0 "[ . 1 . 2]" 1 195 1 7 GLN HB2 1 13 TYR QE 3.650 . 5.500 4.551 4.104 4.991 . 0 0 "[ . 1 . 2]" 1 196 1 7 GLN HB2 1 32 TYR QD 3.150 . 4.500 3.477 2.957 3.941 . 0 0 "[ . 1 . 2]" 1 197 1 7 GLN HB2 1 32 TYR QE 2.650 . 3.500 2.553 2.034 3.398 . 0 0 "[ . 1 . 2]" 1 198 1 7 GLN HB3 1 7 GLN HE21 3.650 . 5.500 4.487 4.116 4.553 . 0 0 "[ . 1 . 2]" 1 199 1 7 GLN HB3 1 7 GLN HG3 2.650 . 3.500 3.022 3.012 3.037 . 0 0 "[ . 1 . 2]" 1 200 1 7 GLN HB3 1 8 CYS H 3.650 . 5.500 4.289 4.211 4.367 . 0 0 "[ . 1 . 2]" 1 201 1 7 GLN HB3 1 9 GLY H 3.650 . 5.500 5.059 4.096 5.394 . 0 0 "[ . 1 . 2]" 1 202 1 7 GLN HB3 1 13 TYR QE 3.150 . 4.500 3.361 2.734 4.049 . 0 0 "[ . 1 . 2]" 1 203 1 7 GLN HB3 1 32 TYR QE 3.650 . 5.500 4.123 3.530 5.081 . 0 0 "[ . 1 . 2]" 1 204 1 7 GLN HE21 1 7 GLN HG2 2.650 . 3.500 2.919 2.269 3.050 . 0 0 "[ . 1 . 2]" 1 205 1 7 GLN HE21 1 7 GLN HG3 2.650 . 3.500 2.388 2.299 2.880 . 0 0 "[ . 1 . 2]" 1 206 1 7 GLN HE21 1 8 CYS H 3.650 . 5.500 4.065 3.744 4.271 . 0 0 "[ . 1 . 2]" 1 207 1 7 GLN HE21 1 9 GLY H 3.650 . 5.500 4.675 4.328 4.919 . 0 0 "[ . 1 . 2]" 1 208 1 7 GLN HE21 1 10 GLY HA3 3.650 . 5.500 2.921 2.017 3.608 . 0 0 "[ . 1 . 2]" 1 209 1 7 GLN HE21 1 13 TYR HB2 3.150 . 4.500 3.207 1.809 3.734 . 0 0 "[ . 1 . 2]" 1 210 1 7 GLN HE21 1 13 TYR HB2 3.150 . 4.500 3.125 1.809 3.523 . 0 0 "[ . 1 . 2]" 1 211 1 7 GLN HE21 1 13 TYR HB3 3.650 . 4.500 3.895 2.807 4.335 . 0 0 "[ . 1 . 2]" 1 212 1 7 GLN HE21 1 13 TYR QD 2.650 . 3.500 3.353 2.930 3.541 0.041 3 0 "[ . 1 . 2]" 1 213 1 7 GLN HE21 1 32 TYR HA 3.150 . 4.500 2.481 2.042 3.776 . 0 0 "[ . 1 . 2]" 1 214 1 7 GLN HE21 1 33 SER H 3.150 . 4.500 2.820 2.476 3.655 . 0 0 "[ . 1 . 2]" 1 215 1 7 GLN HE22 1 10 GLY HA2 3.650 . 5.500 4.881 4.337 5.531 0.031 12 0 "[ . 1 . 2]" 1 216 1 7 GLN HE22 1 10 GLY HA3 3.650 . 5.500 4.191 3.381 4.895 . 0 0 "[ . 1 . 2]" 1 217 1 7 GLN HE22 1 13 TYR HB2 2.650 . 3.500 3.035 2.499 3.284 . 0 0 "[ . 1 . 2]" 1 218 1 7 GLN HE22 1 13 TYR HB3 3.150 . 4.500 4.330 3.806 4.540 0.040 20 0 "[ . 1 . 2]" 1 219 1 7 GLN HE22 1 32 TYR HA 3.150 . 4.500 3.409 3.037 3.794 . 0 0 "[ . 1 . 2]" 1 220 1 7 GLN HG2 1 8 CYS H 3.150 . 4.500 3.487 3.277 3.712 . 0 0 "[ . 1 . 2]" 1 221 1 7 GLN HG2 1 9 GLY H 2.650 . 3.500 3.084 2.114 3.391 . 0 0 "[ . 1 . 2]" 1 222 1 7 GLN HG2 1 13 TYR HB2 3.650 . 5.500 3.272 2.760 4.069 . 0 0 "[ . 1 . 2]" 1 223 1 7 GLN HG2 1 13 TYR QE 3.650 . 5.500 4.060 3.568 4.407 . 0 0 "[ . 1 . 2]" 1 224 1 7 GLN HG2 1 33 SER H 3.150 . 4.500 3.263 2.593 3.663 . 0 0 "[ . 1 . 2]" 1 225 1 7 GLN HG3 1 8 CYS H 3.150 . 4.500 3.421 3.139 3.633 . 0 0 "[ . 1 . 2]" 1 226 1 7 GLN HG3 1 9 GLY H 2.650 . 3.500 3.477 3.116 3.536 0.036 19 0 "[ . 1 . 2]" 1 227 1 7 GLN HG3 1 32 TYR HA 2.300 . 2.800 2.402 2.334 2.486 . 0 0 "[ . 1 . 2]" 1 228 1 7 GLN HG3 1 32 TYR QD 3.150 . 4.500 3.567 3.083 3.868 . 0 0 "[ . 1 . 2]" 1 229 1 7 GLN HG3 1 32 TYR QE 3.150 . 4.500 4.109 3.776 4.478 . 0 0 "[ . 1 . 2]" 1 230 1 7 GLN HG3 1 33 SER H 3.150 . 4.500 2.223 2.013 2.353 . 0 0 "[ . 1 . 2]" 1 231 1 8 CYS H 1 8 CYS HB2 3.650 . 5.500 3.570 3.491 3.625 . 0 0 "[ . 1 . 2]" 1 232 1 8 CYS H 1 8 CYS HB3 2.650 . 3.500 2.543 2.456 2.662 . 0 0 "[ . 1 . 2]" 1 233 1 8 CYS H 1 8 CYS HB3 3.150 . 4.500 2.324 2.252 2.380 . 0 0 "[ . 1 . 2]" 1 234 1 8 CYS H 1 8 CYS HB3 2.300 . 2.800 2.483 2.372 2.593 . 0 0 "[ . 1 . 2]" 1 235 1 8 CYS H 1 8 CYS HB3 2.650 . 3.500 2.413 2.338 2.475 . 0 0 "[ . 1 . 2]" 1 236 1 8 CYS H 1 9 GLY H 2.300 . 2.800 2.504 2.380 2.630 . 0 0 "[ . 1 . 2]" 1 237 1 8 CYS H 1 9 GLY HA3 3.650 . 5.500 3.783 3.373 3.950 . 0 0 "[ . 1 . 2]" 1 238 1 8 CYS H 1 9 GLY HA3 3.650 . 5.500 4.253 4.054 4.517 . 0 0 "[ . 1 . 2]" 1 239 1 8 CYS H 1 13 TYR QD 3.150 . 4.500 4.147 4.082 4.207 . 0 0 "[ . 1 . 2]" 1 240 1 8 CYS H 1 13 TYR QD 3.150 . 4.500 3.748 3.713 3.772 . 0 0 "[ . 1 . 2]" 1 241 1 8 CYS H 1 17 THR HA 3.650 . 5.500 4.767 4.625 4.916 . 0 0 "[ . 1 . 2]" 1 242 1 8 CYS H 1 33 SER HB3 3.650 . 5.500 3.983 3.318 4.521 . 0 0 "[ . 1 . 2]" 1 243 1 8 CYS H 1 33 SER H 3.150 . 4.500 3.782 3.637 3.924 . 0 0 "[ . 1 . 2]" 1 244 1 8 CYS H 1 34 GLN HA 3.650 . 5.500 2.561 2.089 2.844 . 0 0 "[ . 1 . 2]" 1 245 1 8 CYS HA 1 8 CYS HB2 . . 2.800 2.526 2.456 2.581 . 0 0 "[ . 1 . 2]" 1 246 1 8 CYS HA 1 8 CYS HB3 . . 2.800 2.342 2.302 2.378 . 0 0 "[ . 1 . 2]" 1 247 1 8 CYS HA 1 9 GLY H 3.150 . 4.500 3.512 3.205 3.568 . 0 0 "[ . 1 . 2]" 1 248 1 8 CYS HA 1 13 TYR QD 3.650 . 5.500 3.979 3.627 4.228 . 0 0 "[ . 1 . 2]" 1 249 1 8 CYS HA 1 13 TYR QE 3.150 . 4.500 3.939 3.592 4.304 . 0 0 "[ . 1 . 2]" 1 250 1 8 CYS HA 1 17 THR HA 3.150 . 3.500 3.368 3.184 3.542 0.042 18 0 "[ . 1 . 2]" 1 251 1 8 CYS HA 1 17 THR MG 3.650 . 4.500 4.444 4.232 4.543 0.043 19 0 "[ . 1 . 2]" 1 252 1 8 CYS HA 1 19 CYS HA 3.650 . 5.500 4.034 3.960 4.083 . 0 0 "[ . 1 . 2]" 1 253 1 8 CYS HB2 1 17 THR HA 3.150 . 4.500 3.122 2.809 3.532 . 0 0 "[ . 1 . 2]" 1 254 1 8 CYS HB2 1 17 THR HB 3.650 . 4.500 3.633 3.386 3.839 . 0 0 "[ . 1 . 2]" 1 255 1 8 CYS HB2 1 25 CYS HB2 3.150 . 4.500 2.694 2.420 3.031 . 0 0 "[ . 1 . 2]" 1 256 1 8 CYS HB2 1 35 CYS HA 3.650 . 5.500 5.131 4.834 5.479 . 0 0 "[ . 1 . 2]" 1 257 1 8 CYS HB3 1 13 TYR QE 3.650 . 5.500 4.314 4.285 4.353 . 0 0 "[ . 1 . 2]" 1 258 1 8 CYS HB3 1 17 THR HA 3.150 . 4.500 4.256 4.010 4.507 0.007 17 0 "[ . 1 . 2]" 1 259 1 8 CYS HB3 1 25 CYS HB2 2.650 . 3.500 3.240 2.989 3.504 0.004 5 0 "[ . 1 . 2]" 1 260 1 8 CYS HB3 1 26 GLN H 3.150 . 4.500 3.809 3.748 3.878 . 0 0 "[ . 1 . 2]" 1 261 1 8 CYS HB3 1 35 CYS H 3.650 . 5.500 3.497 3.202 3.900 . 0 0 "[ . 1 . 2]" 1 262 1 9 GLY H 1 9 GLY HA2 2.650 . 3.500 2.733 2.482 2.821 . 0 0 "[ . 1 . 2]" 1 263 1 9 GLY H 1 9 GLY HA3 2.650 . 3.500 2.840 2.760 2.945 . 0 0 "[ . 1 . 2]" 1 264 1 9 GLY H 1 10 GLY H 3.650 . 5.500 3.083 2.670 3.449 . 0 0 "[ . 1 . 2]" 1 265 1 9 GLY H 1 10 GLY H 3.650 . 5.500 2.969 2.626 3.238 . 0 0 "[ . 1 . 2]" 1 266 1 9 GLY H 1 13 TYR QD 3.150 . 4.500 4.277 3.717 4.522 0.022 9 0 "[ . 1 . 2]" 1 267 1 9 GLY H 1 17 THR HB 3.650 . 5.500 4.780 4.517 4.974 . 0 0 "[ . 1 . 2]" 1 268 1 9 GLY H 1 33 SER HB3 3.150 . 4.500 3.281 3.156 3.519 . 0 0 "[ . 1 . 2]" 1 269 1 9 GLY H 1 33 SER HB2 2.650 . 2.800 2.244 1.960 2.832 0.032 20 0 "[ . 1 . 2]" 1 270 1 9 GLY H 1 33 SER HB3 3.650 . 5.500 3.641 3.374 4.421 . 0 0 "[ . 1 . 2]" 1 271 1 9 GLY HA2 1 10 GLY H 2.300 . 2.800 2.210 2.065 2.401 . 0 0 "[ . 1 . 2]" 1 272 1 9 GLY HA2 1 13 TYR HB2 3.150 . 4.500 3.796 3.384 4.472 . 0 0 "[ . 1 . 2]" 1 273 1 9 GLY HA2 1 13 TYR HB2 3.650 . 4.500 3.541 3.255 3.988 . 0 0 "[ . 1 . 2]" 1 274 1 9 GLY HA2 1 13 TYR QD 2.650 . 3.500 2.102 1.866 2.330 . 0 0 "[ . 1 . 2]" 1 275 1 9 GLY HA2 1 17 THR MG 3.150 . 4.500 3.091 2.531 3.593 . 0 0 "[ . 1 . 2]" 1 276 1 9 GLY HA3 1 10 GLY H 2.650 . 3.500 3.426 3.319 3.497 . 0 0 "[ . 1 . 2]" 1 277 1 9 GLY HA3 1 33 SER HB2 2.650 . 3.500 3.247 3.080 3.418 . 0 0 "[ . 1 . 2]" 1 278 1 9 GLY HA3 1 33 SER HB2 2.650 . 3.500 3.352 3.149 3.526 0.026 17 0 "[ . 1 . 2]" 1 279 1 9 GLY HA3 1 13 TYR QD 3.150 . 4.500 3.269 2.599 3.766 . 0 0 "[ . 1 . 2]" 1 280 1 9 GLY HA3 1 17 THR MG 2.650 . 3.500 2.217 1.893 2.639 . 0 0 "[ . 1 . 2]" 1 281 1 10 GLY H 1 10 GLY HA3 2.300 . 2.800 2.414 2.379 2.427 . 0 0 "[ . 1 . 2]" 1 282 1 10 GLY H 1 13 TYR HB3 2.650 . 3.500 2.001 1.819 2.274 . 0 0 "[ . 1 . 2]" 1 283 1 10 GLY H 1 13 TYR QD 3.150 . 4.500 3.570 3.092 3.827 . 0 0 "[ . 1 . 2]" 1 284 1 10 GLY HA2 1 11 ILE H 2.650 . 3.500 2.635 2.447 2.906 . 0 0 "[ . 1 . 2]" 1 285 1 10 GLY HA2 1 27 VAL MG2 3.150 . 3.500 3.374 3.177 3.510 0.010 18 0 "[ . 1 . 2]" 1 286 1 10 GLY HA2 1 13 TYR HB3 3.150 . 4.500 4.246 4.114 4.324 . 0 0 "[ . 1 . 2]" 1 287 1 10 GLY HA2 1 33 SER H 3.650 . 5.500 4.051 3.661 4.496 . 0 0 "[ . 1 . 2]" 1 288 1 10 GLY HA3 1 11 ILE H 2.300 . 2.800 2.532 2.321 2.660 . 0 0 "[ . 1 . 2]" 1 289 1 10 GLY HA3 1 11 ILE H 2.300 . 2.800 2.357 2.223 2.427 . 0 0 "[ . 1 . 2]" 1 290 1 10 GLY HA3 1 31 TYR QD 3.650 . 5.500 4.260 4.028 4.633 . 0 0 "[ . 1 . 2]" 1 291 1 10 GLY HA3 1 11 ILE HB 3.150 . 4.500 3.862 3.571 4.170 . 0 0 "[ . 1 . 2]" 1 292 1 10 GLY HA3 1 32 TYR H 3.650 . 5.500 4.568 4.263 4.977 . 0 0 "[ . 1 . 2]" 1 293 1 10 GLY HA3 1 33 SER H 3.150 . 4.500 3.250 2.666 3.731 . 0 0 "[ . 1 . 2]" 1 294 1 11 ILE H 1 11 ILE HB 2.650 . 3.500 2.585 2.506 2.669 . 0 0 "[ . 1 . 2]" 1 295 1 11 ILE H 1 11 ILE MD 3.150 . 4.500 3.562 3.503 3.623 . 0 0 "[ . 1 . 2]" 1 296 1 11 ILE H 1 11 ILE HG12 3.150 . 4.500 3.317 3.161 3.435 . 0 0 "[ . 1 . 2]" 1 297 1 11 ILE H 1 11 ILE HG12 2.650 . 3.500 3.030 2.912 3.148 . 0 0 "[ . 1 . 2]" 1 298 1 11 ILE H 1 11 ILE HG13 2.650 . 3.500 2.055 1.905 2.178 . 0 0 "[ . 1 . 2]" 1 299 1 11 ILE H 1 11 ILE MG 3.150 . 4.500 3.779 3.756 3.791 . 0 0 "[ . 1 . 2]" 1 300 1 11 ILE H 1 13 TYR HB3 3.650 . 5.500 4.629 4.534 4.741 . 0 0 "[ . 1 . 2]" 1 301 1 11 ILE H 1 31 TYR HA 2.300 . 2.800 2.129 1.891 2.496 . 0 0 "[ . 1 . 2]" 1 302 1 11 ILE H 1 31 TYR HB3 3.650 . 5.500 4.048 3.853 4.363 . 0 0 "[ . 1 . 2]" 1 303 1 11 ILE H 1 31 TYR QD 3.650 . 5.500 4.069 3.613 4.518 . 0 0 "[ . 1 . 2]" 1 304 1 11 ILE HA 1 11 ILE HG12 3.150 . 3.500 2.592 2.534 2.657 . 0 0 "[ . 1 . 2]" 1 305 1 11 ILE HA 1 11 ILE HG13 3.150 . 3.500 3.064 3.014 3.131 . 0 0 "[ . 1 . 2]" 1 306 1 11 ILE HA 1 11 ILE MG 2.650 . 2.800 2.400 2.352 2.449 . 0 0 "[ . 1 . 2]" 1 307 1 11 ILE HA 1 12 GLY H 2.300 . 2.800 2.139 2.085 2.175 . 0 0 "[ . 1 . 2]" 1 308 1 11 ILE HA 1 12 GLY H 2.300 . 2.800 1.999 1.970 2.022 . 0 0 "[ . 1 . 2]" 1 309 1 11 ILE HA 1 13 TYR H 2.650 . 3.500 3.066 2.979 3.148 . 0 0 "[ . 1 . 2]" 1 310 1 11 ILE HA 1 13 TYR H 3.150 . 4.500 3.464 3.304 3.574 . 0 0 "[ . 1 . 2]" 1 311 1 11 ILE HB 1 11 ILE MD 2.300 . 2.800 2.433 2.407 2.453 . 0 0 "[ . 1 . 2]" 1 312 1 11 ILE HB 1 11 ILE MD 2.300 . 2.800 2.315 2.207 2.405 . 0 0 "[ . 1 . 2]" 1 313 1 11 ILE HB 1 11 ILE HG13 2.650 . 3.500 2.484 2.463 2.504 . 0 0 "[ . 1 . 2]" 1 314 1 11 ILE HB 1 11 ILE MG 2.300 . 2.800 2.138 2.128 2.143 . 0 0 "[ . 1 . 2]" 1 315 1 11 ILE HB 1 31 TYR HA 3.150 . 4.500 2.567 2.213 2.907 . 0 0 "[ . 1 . 2]" 1 316 1 11 ILE HB 1 31 TYR QD 2.650 . 3.500 2.309 1.988 3.274 . 0 0 "[ . 1 . 2]" 1 317 1 11 ILE HB 1 31 TYR QE 3.150 . 4.500 3.394 2.843 3.910 . 0 0 "[ . 1 . 2]" 1 318 1 11 ILE MD 1 11 ILE HG13 2.300 . 2.800 2.123 2.117 2.127 . 0 0 "[ . 1 . 2]" 1 319 1 11 ILE MD 1 11 ILE MG 2.300 . 2.800 1.956 1.924 1.973 . 0 0 "[ . 1 . 2]" 1 320 1 11 ILE MD 1 12 GLY H 3.150 . 4.500 4.448 4.185 4.527 0.027 18 0 "[ . 1 . 2]" 1 321 1 11 ILE MD 1 27 VAL MG1 3.650 . 5.500 4.976 4.514 5.386 . 0 0 "[ . 1 . 2]" 1 322 1 11 ILE MD 1 30 PRO HA 3.150 . 4.500 3.836 3.369 4.285 . 0 0 "[ . 1 . 2]" 1 323 1 11 ILE MD 1 30 PRO HB3 3.150 . 4.500 3.147 2.390 4.157 . 0 0 "[ . 1 . 2]" 1 324 1 11 ILE MD 1 31 TYR HA 3.150 . 4.500 3.678 3.155 4.320 . 0 0 "[ . 1 . 2]" 1 325 1 11 ILE MD 1 31 TYR QD 3.650 . 5.500 3.810 3.491 4.126 . 0 0 "[ . 1 . 2]" 1 326 1 11 ILE MD 1 31 TYR QE 3.150 . 4.500 3.716 3.348 4.104 . 0 0 "[ . 1 . 2]" 1 327 1 11 ILE HG12 1 12 GLY H 3.150 . 4.500 3.605 3.494 3.690 . 0 0 "[ . 1 . 2]" 1 328 1 11 ILE HG13 1 31 TYR HA 3.150 . 4.500 3.269 2.850 3.759 . 0 0 "[ . 1 . 2]" 1 329 1 11 ILE HG13 1 31 TYR QD 3.650 . 5.500 4.569 4.221 5.078 . 0 0 "[ . 1 . 2]" 1 330 1 11 ILE MG 1 12 GLY H 2.650 . 3.500 2.853 2.651 2.999 . 0 0 "[ . 1 . 2]" 1 331 1 11 ILE MG 1 12 GLY H 2.650 . 3.500 2.792 2.616 2.920 . 0 0 "[ . 1 . 2]" 1 332 1 11 ILE MG 1 12 GLY HA2 3.150 . 4.500 3.652 3.562 3.734 . 0 0 "[ . 1 . 2]" 1 333 1 11 ILE MG 1 31 TYR QE 3.150 . 3.500 2.510 2.376 2.666 . 0 0 "[ . 1 . 2]" 1 334 1 11 ILE MG 1 31 TYR HA 3.150 . 4.500 4.168 3.869 4.484 . 0 0 "[ . 1 . 2]" 1 335 1 11 ILE MG 1 31 TYR QD 3.150 . 4.500 2.730 2.232 3.358 . 0 0 "[ . 1 . 2]" 1 336 1 11 ILE MG 1 31 TYR QE 2.650 . 3.500 2.625 2.457 3.032 . 0 0 "[ . 1 . 2]" 1 337 1 12 GLY H 1 12 GLY HA2 2.650 . 3.500 2.401 2.346 2.452 . 0 0 "[ . 1 . 2]" 1 338 1 12 GLY H 1 12 GLY HA3 2.650 . 3.500 2.937 2.915 2.950 . 0 0 "[ . 1 . 2]" 1 339 1 12 GLY H 1 13 TYR H 2.650 . 3.500 2.448 2.276 2.694 . 0 0 "[ . 1 . 2]" 1 340 1 12 GLY H 1 13 TYR HB2 3.150 . 4.500 3.897 3.816 3.966 . 0 0 "[ . 1 . 2]" 1 341 1 12 GLY H 1 13 TYR HB3 3.650 . 5.500 4.096 3.997 4.228 . 0 0 "[ . 1 . 2]" 1 342 1 12 GLY H 1 13 TYR HB3 3.650 . 5.500 3.388 3.258 3.447 . 0 0 "[ . 1 . 2]" 1 343 1 12 GLY H 1 13 TYR HB3 3.650 . 4.500 3.520 3.362 3.599 . 0 0 "[ . 1 . 2]" 1 344 1 12 GLY H 1 14 SER HA 3.150 . 4.500 4.422 4.268 4.502 0.002 19 0 "[ . 1 . 2]" 1 345 1 12 GLY H 2 1 MAN H5 2.650 . 3.500 3.105 2.828 3.362 . 0 0 "[ . 1 . 2]" 1 346 1 12 GLY HA2 1 13 TYR H 3.150 . 4.500 3.393 3.289 3.484 . 0 0 "[ . 1 . 2]" 1 347 1 12 GLY HA2 2 1 MAN H4 2.650 . 3.500 2.467 2.116 2.906 . 0 0 "[ . 1 . 2]" 1 348 1 12 GLY HA3 2 1 MAN H3 3.650 . 5.500 4.626 3.784 5.522 0.022 16 0 "[ . 1 . 2]" 1 349 1 13 TYR H 1 13 TYR HA 2.650 . 3.500 2.917 2.875 2.942 . 0 0 "[ . 1 . 2]" 1 350 1 13 TYR H 1 13 TYR HB3 2.300 . 2.800 2.573 2.475 2.727 . 0 0 "[ . 1 . 2]" 1 351 1 13 TYR H 1 13 TYR HB3 2.300 . 2.800 2.428 2.339 2.517 . 0 0 "[ . 1 . 2]" 1 352 1 13 TYR HA 1 13 TYR HB2 2.650 . 3.500 2.484 2.431 2.525 . 0 0 "[ . 1 . 2]" 1 353 1 13 TYR HA 1 13 TYR HB2 2.300 . 2.800 2.236 2.215 2.254 . 0 0 "[ . 1 . 2]" 1 354 1 13 TYR HA 1 13 TYR HB3 2.650 . 3.500 2.698 2.690 2.705 . 0 0 "[ . 1 . 2]" 1 355 1 13 TYR HA 1 13 TYR HB3 2.650 . 3.500 3.021 3.006 3.036 . 0 0 "[ . 1 . 2]" 1 356 1 13 TYR HA 1 13 TYR HB3 2.650 . 3.500 2.974 2.962 2.993 . 0 0 "[ . 1 . 2]" 1 357 1 13 TYR HA 1 13 TYR QD 2.300 . 2.800 2.382 2.087 2.576 . 0 0 "[ . 1 . 2]" 1 358 1 13 TYR HA 1 14 SER H 2.300 . 2.800 2.158 2.067 2.275 . 0 0 "[ . 1 . 2]" 1 359 1 13 TYR HB2 1 13 TYR QD 2.650 . 3.500 2.379 2.297 2.472 . 0 0 "[ . 1 . 2]" 1 360 1 13 TYR HB2 1 13 TYR QD 2.300 . 2.800 2.180 2.106 2.241 . 0 0 "[ . 1 . 2]" 1 361 1 13 TYR HB2 1 14 SER H 3.650 . 5.500 4.174 4.016 4.356 . 0 0 "[ . 1 . 2]" 1 362 1 13 TYR HB3 1 13 TYR QD 2.300 . 2.800 2.467 2.358 2.609 . 0 0 "[ . 1 . 2]" 1 363 1 13 TYR HB3 1 14 SER H 2.650 . 3.500 3.354 3.315 3.409 . 0 0 "[ . 1 . 2]" 1 364 1 13 TYR QD 1 14 SER H 3.650 . 5.500 3.440 3.247 3.843 . 0 0 "[ . 1 . 2]" 1 365 1 13 TYR QD 1 14 SER HA 3.650 . 5.500 3.359 2.860 3.709 . 0 0 "[ . 1 . 2]" 1 366 1 13 TYR QD 1 15 GLY H 3.650 . 5.500 3.667 2.958 4.917 . 0 0 "[ . 1 . 2]" 1 367 1 13 TYR QD 1 17 THR MG 3.150 . 4.500 3.144 2.597 3.448 . 0 0 "[ . 1 . 2]" 1 368 1 13 TYR QE 1 14 SER HA 3.650 . 5.500 3.627 2.745 3.952 . 0 0 "[ . 1 . 2]" 1 369 1 13 TYR QE 1 15 GLY H 3.650 . 5.500 3.726 3.051 5.123 . 0 0 "[ . 1 . 2]" 1 370 1 13 TYR QE 1 15 GLY HA3 3.150 . 4.500 3.215 2.442 4.494 . 0 0 "[ . 1 . 2]" 1 371 1 13 TYR QE 1 16 PRO HA 3.650 . 5.500 4.818 4.460 5.387 . 0 0 "[ . 1 . 2]" 1 372 1 13 TYR QE 1 17 THR MG 2.650 . 3.500 3.401 2.774 3.522 0.022 4 0 "[ . 1 . 2]" 1 373 1 14 SER H 1 14 SER HB2 3.150 . 4.500 2.945 2.438 3.901 . 0 0 "[ . 1 . 2]" 1 374 1 14 SER H 1 14 SER HB2 2.650 . 3.500 2.322 2.097 2.587 . 0 0 "[ . 1 . 2]" 1 375 1 14 SER H 1 14 SER HB3 3.150 . 4.500 3.662 3.211 3.824 . 0 0 "[ . 1 . 2]" 1 376 1 14 SER H 1 15 GLY H 3.150 . 4.500 4.088 3.694 4.417 . 0 0 "[ . 1 . 2]" 1 377 1 14 SER H 2 1 MAN H5 3.650 . 5.500 4.571 2.930 5.541 0.041 13 0 "[ . 1 . 2]" 1 378 1 14 SER HA 1 14 SER HB2 2.650 . 3.500 2.905 2.460 3.040 . 0 0 "[ . 1 . 2]" 1 379 1 14 SER HA 1 14 SER HB3 2.650 . 2.800 2.216 1.996 2.514 . 0 0 "[ . 1 . 2]" 1 380 1 14 SER HA 2 1 MAN H2 2.300 . 2.800 2.473 2.377 2.530 . 0 0 "[ . 1 . 2]" 1 381 1 15 GLY H 1 15 GLY HA3 2.650 . 3.500 2.839 2.697 2.941 . 0 0 "[ . 1 . 2]" 1 382 1 15 GLY HA2 1 16 PRO QG 3.150 . 4.500 4.045 3.783 4.302 . 0 0 "[ . 1 . 2]" 1 383 1 15 GLY HA2 1 16 PRO HG3 3.150 . 4.500 4.177 3.904 4.449 . 0 0 "[ . 1 . 2]" 1 384 1 15 GLY HA3 1 16 PRO QG 3.150 . 4.500 3.883 3.775 4.082 . 0 0 "[ . 1 . 2]" 1 385 1 16 PRO HA 1 16 PRO HB3 2.300 . 2.800 2.282 2.264 2.307 . 0 0 "[ . 1 . 2]" 1 386 1 16 PRO HA 1 16 PRO HD2 3.650 . 5.500 3.898 3.847 3.931 . 0 0 "[ . 1 . 2]" 1 387 1 16 PRO HA 1 16 PRO HD3 3.150 . 4.500 3.683 3.573 3.746 . 0 0 "[ . 1 . 2]" 1 388 1 16 PRO HA 1 16 PRO HG2 3.150 . 4.500 3.878 3.807 3.948 . 0 0 "[ . 1 . 2]" 1 389 1 16 PRO HA 1 17 THR H 2.300 . 2.800 2.199 2.119 2.266 . 0 0 "[ . 1 . 2]" 1 390 1 16 PRO HA 1 17 THR MG 3.650 . 5.500 4.059 3.811 4.216 . 0 0 "[ . 1 . 2]" 1 391 1 16 PRO HA 1 17 THR MG 2.650 . 3.500 3.012 2.919 3.070 . 0 0 "[ . 1 . 2]" 1 392 1 16 PRO HA 1 18 VAL H 3.150 . 4.500 3.362 3.238 3.641 . 0 0 "[ . 1 . 2]" 1 393 1 16 PRO HB2 1 16 PRO HD3 3.150 . 4.500 3.940 3.853 4.028 . 0 0 "[ . 1 . 2]" 1 394 1 16 PRO HB2 1 16 PRO HG2 2.300 . 2.800 2.299 2.274 2.333 . 0 0 "[ . 1 . 2]" 1 395 1 16 PRO HB2 1 17 THR H 3.650 . 5.500 4.108 3.852 4.229 . 0 0 "[ . 1 . 2]" 1 396 1 16 PRO HB2 1 18 VAL H 3.650 . 5.500 4.142 3.432 4.985 . 0 0 "[ . 1 . 2]" 1 397 1 16 PRO HB3 1 16 PRO HD2 3.150 . 4.500 3.884 3.801 3.948 . 0 0 "[ . 1 . 2]" 1 398 1 16 PRO HB3 1 16 PRO HD3 3.650 . 5.500 4.006 3.897 4.080 . 0 0 "[ . 1 . 2]" 1 399 1 16 PRO HB3 1 16 PRO HG2 2.300 . 2.800 2.722 2.657 2.792 . 0 0 "[ . 1 . 2]" 1 400 1 16 PRO HB3 1 17 THR H 3.150 . 4.500 4.111 3.744 4.321 . 0 0 "[ . 1 . 2]" 1 401 1 16 PRO HB3 1 18 VAL H 3.650 . 5.500 4.219 3.672 4.671 . 0 0 "[ . 1 . 2]" 1 402 1 16 PRO HD2 1 16 PRO HG2 2.300 . 2.800 2.317 2.287 2.356 . 0 0 "[ . 1 . 2]" 1 403 1 16 PRO HD3 1 16 PRO HG2 2.300 . 2.800 2.673 2.641 2.719 . 0 0 "[ . 1 . 2]" 1 404 1 16 PRO HD3 1 16 PRO QG 2.300 . 2.800 2.177 2.162 2.190 . 0 0 "[ . 1 . 2]" 1 405 1 17 THR H 1 17 THR HA 2.650 . 3.500 2.878 2.843 2.924 . 0 0 "[ . 1 . 2]" 1 406 1 17 THR H 1 17 THR HB 3.150 . 4.500 3.541 3.472 3.621 . 0 0 "[ . 1 . 2]" 1 407 1 17 THR H 1 17 THR MG 2.300 . 2.800 2.294 2.017 2.507 . 0 0 "[ . 1 . 2]" 1 408 1 17 THR H 1 18 VAL H 2.650 . 2.800 2.297 1.976 2.470 . 0 0 "[ . 1 . 2]" 1 409 1 17 THR H 1 18 VAL HB 3.650 . 5.500 4.610 4.215 4.860 . 0 0 "[ . 1 . 2]" 1 410 1 17 THR H 1 18 VAL MG2 3.650 . 5.500 3.515 3.328 3.856 . 0 0 "[ . 1 . 2]" 1 411 1 17 THR HA 1 17 THR HB 2.300 . 2.800 2.555 2.499 2.604 . 0 0 "[ . 1 . 2]" 1 412 1 17 THR HA 1 17 THR MG 2.650 . 3.500 2.240 2.189 2.308 . 0 0 "[ . 1 . 2]" 1 413 1 17 THR HA 1 18 VAL H 3.150 . 4.500 3.368 3.259 3.449 . 0 0 "[ . 1 . 2]" 1 414 1 17 THR HA 1 25 CYS HB2 3.650 . 5.500 4.658 4.376 4.954 . 0 0 "[ . 1 . 2]" 1 415 1 17 THR HA 1 25 CYS HB2 3.650 . 5.500 5.160 4.809 5.515 0.015 17 0 "[ . 1 . 2]" 1 416 1 17 THR HB 1 17 THR MG 2.300 . 2.800 2.145 2.140 2.155 . 0 0 "[ . 1 . 2]" 1 417 1 17 THR HB 1 25 CYS HB3 2.650 . 3.500 3.022 3.007 3.036 . 0 0 "[ . 1 . 2]" 1 418 1 17 THR MG 1 18 VAL H 3.650 . 5.500 4.196 4.085 4.327 . 0 0 "[ . 1 . 2]" 1 419 1 18 VAL H 1 18 VAL HB 2.650 . 3.500 2.554 2.488 2.622 . 0 0 "[ . 1 . 2]" 1 420 1 18 VAL H 1 18 VAL MG2 2.650 . 3.500 2.300 2.061 2.478 . 0 0 "[ . 1 . 2]" 1 421 1 18 VAL HA 1 18 VAL QG 2.300 . 2.800 2.152 2.123 2.162 . 0 0 "[ . 1 . 2]" 1 422 1 18 VAL HA 1 19 CYS H 2.300 . 2.800 2.118 2.084 2.153 . 0 0 "[ . 1 . 2]" 1 423 1 18 VAL MG1 1 19 CYS H 2.650 . 3.500 2.880 2.635 3.087 . 0 0 "[ . 1 . 2]" 1 424 1 19 CYS H 1 19 CYS HB2 2.650 . 2.800 2.491 2.439 2.594 . 0 0 "[ . 1 . 2]" 1 425 1 19 CYS H 1 19 CYS HB3 3.150 . 4.500 3.592 3.543 3.641 . 0 0 "[ . 1 . 2]" 1 426 1 19 CYS HA 1 19 CYS HB2 2.650 . 3.500 3.027 3.008 3.055 . 0 0 "[ . 1 . 2]" 1 427 1 19 CYS HA 1 19 CYS HB3 2.650 . 3.500 2.433 2.346 2.474 . 0 0 "[ . 1 . 2]" 1 428 1 19 CYS HA 1 20 ALA H 2.300 . 2.800 2.374 2.247 2.448 . 0 0 "[ . 1 . 2]" 1 429 1 19 CYS HB2 1 20 ALA H 3.150 . 4.500 3.418 3.313 3.549 . 0 0 "[ . 1 . 2]" 1 430 1 19 CYS HB2 1 24 THR H 3.650 . 5.500 4.513 4.118 4.761 . 0 0 "[ . 1 . 2]" 1 431 1 19 CYS HB2 1 24 THR HA 2.650 . 3.500 3.385 2.989 3.522 0.022 1 0 "[ . 1 . 2]" 1 432 1 19 CYS HB2 1 25 CYS H 3.650 . 5.500 3.818 3.455 4.133 . 0 0 "[ . 1 . 2]" 1 433 1 19 CYS HB2 1 35 CYS HB2 3.650 . 5.500 4.972 4.801 5.063 . 0 0 "[ . 1 . 2]" 1 434 1 19 CYS HB3 1 20 ALA H 2.650 . 3.500 2.464 2.351 2.653 . 0 0 "[ . 1 . 2]" 1 435 1 19 CYS HB3 1 23 THR MG 3.650 . 5.500 3.782 3.689 3.883 . 0 0 "[ . 1 . 2]" 1 436 1 19 CYS HB3 1 23 THR MG 3.650 . 5.500 4.078 3.966 4.297 . 0 0 "[ . 1 . 2]" 1 437 1 19 CYS HB3 1 35 CYS HB2 2.650 . 3.500 3.490 3.396 3.516 0.016 5 0 "[ . 1 . 2]" 1 438 1 19 CYS HB3 1 35 CYS HB3 3.150 . 4.500 2.159 2.051 2.251 . 0 0 "[ . 1 . 2]" 1 439 1 19 CYS HB3 1 36 LEU H 3.650 . 5.500 5.304 5.123 5.470 . 0 0 "[ . 1 . 2]" 1 440 1 20 ALA H 1 20 ALA HA 2.650 . 3.500 2.798 2.723 2.832 . 0 0 "[ . 1 . 2]" 1 441 1 20 ALA H 1 20 ALA MB 2.300 . 2.800 2.211 2.174 2.235 . 0 0 "[ . 1 . 2]" 1 442 1 20 ALA H 1 21 SER H 3.150 . 4.500 4.096 4.043 4.162 . 0 0 "[ . 1 . 2]" 1 443 1 20 ALA H 1 23 THR HB 3.650 . 5.500 3.641 3.591 3.721 . 0 0 "[ . 1 . 2]" 1 444 1 20 ALA H 1 35 CYS HB2 3.650 . 5.500 4.753 4.388 5.088 . 0 0 "[ . 1 . 2]" 1 445 1 20 ALA HA 1 20 ALA MB 2.300 . 2.800 2.131 2.118 2.143 . 0 0 "[ . 1 . 2]" 1 446 1 20 ALA HA 1 21 SER H 2.300 . 2.800 2.322 2.217 2.471 . 0 0 "[ . 1 . 2]" 1 447 1 20 ALA MB 1 21 SER QB 3.150 . 4.500 4.069 3.671 4.528 0.028 7 0 "[ . 1 . 2]" 1 448 1 21 SER H 1 21 SER HA 2.650 . 3.500 2.759 2.724 2.794 . 0 0 "[ . 1 . 2]" 1 449 1 21 SER H 1 21 SER QB 2.300 . 2.800 2.474 2.176 2.628 . 0 0 "[ . 1 . 2]" 1 450 1 21 SER H 1 22 GLY H 3.650 . 5.500 4.437 4.368 4.508 . 0 0 "[ . 1 . 2]" 1 451 1 21 SER HA 1 21 SER QB 2.300 . 2.800 2.307 2.166 2.390 . 0 0 "[ . 1 . 2]" 1 452 1 21 SER HA 1 22 GLY H 2.300 . 2.800 2.130 2.088 2.212 . 0 0 "[ . 1 . 2]" 1 453 1 21 SER HA 1 23 THR H 3.150 . 4.500 3.442 3.089 3.700 . 0 0 "[ . 1 . 2]" 1 454 1 21 SER QB 1 22 GLY H 3.150 . 4.500 3.404 3.091 3.848 . 0 0 "[ . 1 . 2]" 1 455 1 22 GLY H 1 22 GLY HA2 2.650 . 3.500 2.391 2.326 2.425 . 0 0 "[ . 1 . 2]" 1 456 1 22 GLY H 1 22 GLY HA3 2.650 . 3.500 2.930 2.896 2.947 . 0 0 "[ . 1 . 2]" 1 457 1 22 GLY H 1 23 THR H 2.650 . 3.500 2.370 2.191 2.515 . 0 0 "[ . 1 . 2]" 1 458 1 22 GLY H 1 24 THR MG 3.150 . 4.500 3.568 3.403 3.705 . 0 0 "[ . 1 . 2]" 1 459 1 22 GLY HA2 1 23 THR H 3.150 . 4.500 3.366 3.288 3.429 . 0 0 "[ . 1 . 2]" 1 460 1 22 GLY HA3 1 23 THR H 2.650 . 3.500 3.176 3.050 3.307 . 0 0 "[ . 1 . 2]" 1 461 1 22 GLY HA3 1 23 THR MG 3.150 . 4.500 3.551 3.379 3.659 . 0 0 "[ . 1 . 2]" 1 462 1 23 THR H 1 23 THR MG 3.150 . 4.500 2.748 2.569 2.955 . 0 0 "[ . 1 . 2]" 1 463 1 23 THR HA 1 23 THR HB 2.650 . 3.500 2.487 2.450 2.541 . 0 0 "[ . 1 . 2]" 1 464 1 23 THR HA 1 23 THR MG 2.650 . 3.500 2.385 2.263 2.431 . 0 0 "[ . 1 . 2]" 1 465 1 23 THR HA 1 24 THR H 2.650 . 3.500 2.235 2.176 2.304 . 0 0 "[ . 1 . 2]" 1 466 1 23 THR HA 1 36 LEU H 3.150 . 4.500 4.326 4.151 4.455 . 0 0 "[ . 1 . 2]" 1 467 1 23 THR HA 1 35 CYS HB2 4.150 . 6.500 5.933 5.813 6.045 . 0 0 "[ . 1 . 2]" 1 468 1 23 THR HB 1 23 THR MG 2.300 . 2.800 2.127 2.119 2.132 . 0 0 "[ . 1 . 2]" 1 469 1 23 THR HB 1 24 THR H 2.650 . 3.500 2.908 2.736 3.026 . 0 0 "[ . 1 . 2]" 1 470 1 23 THR HB 1 24 THR HA 3.150 . 4.500 3.671 3.472 3.800 . 0 0 "[ . 1 . 2]" 1 471 1 23 THR HB 1 35 CYS HA 3.150 . 4.500 3.746 3.560 3.919 . 0 0 "[ . 1 . 2]" 1 472 1 23 THR HB 1 35 CYS HB2 2.650 . 3.500 3.486 3.356 3.539 0.039 16 0 "[ . 1 . 2]" 1 473 1 23 THR HB 1 35 CYS HB3 3.150 . 4.500 2.368 2.192 2.525 . 0 0 "[ . 1 . 2]" 1 474 1 23 THR MG 1 24 THR H 3.150 . 4.500 3.864 3.590 3.940 . 0 0 "[ . 1 . 2]" 1 475 1 23 THR MG 1 35 CYS HB2 3.150 . 4.500 4.102 3.891 4.248 . 0 0 "[ . 1 . 2]" 1 476 1 23 THR MG 1 36 LEU HA 3.650 . 4.500 3.953 3.438 4.154 . 0 0 "[ . 1 . 2]" 1 477 1 24 THR H 1 24 THR HA 2.650 . 3.500 2.932 2.922 2.942 . 0 0 "[ . 1 . 2]" 1 478 1 24 THR H 1 24 THR HB 3.150 . 4.500 3.697 3.662 3.763 . 0 0 "[ . 1 . 2]" 1 479 1 24 THR H 1 24 THR MG 3.150 . 4.500 2.957 2.819 3.122 . 0 0 "[ . 1 . 2]" 1 480 1 24 THR H 1 25 CYS H 3.650 . 5.500 4.423 4.353 4.473 . 0 0 "[ . 1 . 2]" 1 481 1 24 THR H 1 26 GLN HE21 3.650 . 5.500 3.765 3.445 3.942 . 0 0 "[ . 1 . 2]" 1 482 1 24 THR H 1 35 CYS HA 3.150 . 4.500 3.874 3.705 3.993 . 0 0 "[ . 1 . 2]" 1 483 1 24 THR H 1 35 CYS HB2 3.650 . 5.500 5.519 5.490 5.539 0.039 6 0 "[ . 1 . 2]" 1 484 1 24 THR H 1 35 CYS HB3 3.650 . 5.500 4.132 4.051 4.234 . 0 0 "[ . 1 . 2]" 1 485 1 24 THR H 1 36 LEU H 2.650 . 3.500 2.826 2.712 2.955 . 0 0 "[ . 1 . 2]" 1 486 1 24 THR H 1 36 LEU QB 3.650 . 5.500 3.722 3.552 3.897 . 0 0 "[ . 1 . 2]" 1 487 1 24 THR H 1 36 LEU HG 4.150 . 6.500 5.525 5.426 5.699 . 0 0 "[ . 1 . 2]" 1 488 1 24 THR HA 1 24 THR HB 2.650 . 2.800 2.534 2.503 2.555 . 0 0 "[ . 1 . 2]" 1 489 1 24 THR HA 1 24 THR MG 2.650 . 3.500 2.280 2.240 2.314 . 0 0 "[ . 1 . 2]" 1 490 1 24 THR HA 1 25 CYS H . . 2.800 2.206 2.148 2.260 . 0 0 "[ . 1 . 2]" 1 491 1 24 THR HA 1 25 CYS HB3 3.150 . 4.500 4.228 4.090 4.304 . 0 0 "[ . 1 . 2]" 1 492 1 24 THR HB 1 24 THR MG 2.300 . 2.800 2.140 2.132 2.147 . 0 0 "[ . 1 . 2]" 1 493 1 24 THR HB 1 25 CYS H 2.650 . 3.500 2.993 2.730 3.160 . 0 0 "[ . 1 . 2]" 1 494 1 24 THR HB 1 26 GLN HE21 3.650 . 5.500 3.583 3.171 4.192 . 0 0 "[ . 1 . 2]" 1 495 1 24 THR MG 1 25 CYS H 3.150 . 4.500 3.703 3.489 3.800 . 0 0 "[ . 1 . 2]" 1 496 1 24 THR MG 1 26 GLN HE21 3.650 . 5.500 3.901 3.540 4.439 . 0 0 "[ . 1 . 2]" 1 497 1 24 THR MG 1 26 GLN HE22 3.650 . 5.500 4.941 4.582 5.360 . 0 0 "[ . 1 . 2]" 1 498 1 25 CYS H 1 25 CYS HA 2.650 . 3.500 2.863 2.822 2.885 . 0 0 "[ . 1 . 2]" 1 499 1 25 CYS H 1 25 CYS HB2 2.650 . 3.500 2.650 2.544 2.721 . 0 0 "[ . 1 . 2]" 1 500 1 25 CYS H 1 25 CYS HB3 2.650 . 2.800 2.460 2.416 2.492 . 0 0 "[ . 1 . 2]" 1 501 1 25 CYS H 1 26 GLN H 3.150 . 4.500 3.992 3.918 4.103 . 0 0 "[ . 1 . 2]" 1 502 1 25 CYS H 1 35 CYS HA 3.650 . 5.500 4.128 3.830 4.311 . 0 0 "[ . 1 . 2]" 1 503 1 25 CYS HA 1 34 GLN H 2.650 . 3.500 3.366 3.294 3.480 . 0 0 "[ . 1 . 2]" 1 504 1 25 CYS HA 1 25 CYS HB2 2.650 . 2.800 2.470 2.443 2.489 . 0 0 "[ . 1 . 2]" 1 505 1 25 CYS HA 1 25 CYS HB3 2.650 . 3.500 3.036 3.027 3.046 . 0 0 "[ . 1 . 2]" 1 506 1 25 CYS HA 1 26 GLN H 2.300 . 2.800 2.168 2.142 2.192 . 0 0 "[ . 1 . 2]" 1 507 1 25 CYS HA 1 35 CYS HA 2.650 . 3.500 2.345 2.196 2.548 . 0 0 "[ . 1 . 2]" 1 508 1 25 CYS HA 1 35 CYS HB2 3.650 . 5.500 5.035 4.872 5.225 . 0 0 "[ . 1 . 2]" 1 509 1 25 CYS HB2 1 26 GLN H 3.650 . 5.500 4.458 4.370 4.504 . 0 0 "[ . 1 . 2]" 1 510 1 25 CYS HB2 1 26 GLN H 3.150 . 4.500 4.315 4.256 4.358 . 0 0 "[ . 1 . 2]" 1 511 1 25 CYS HB2 1 35 CYS HA 3.650 . 5.500 4.195 4.046 4.430 . 0 0 "[ . 1 . 2]" 1 512 1 25 CYS HB3 1 26 GLN H 3.650 . 5.500 4.253 4.190 4.295 . 0 0 "[ . 1 . 2]" 1 513 1 26 GLN H 1 26 GLN HB2 2.650 . 3.500 2.543 2.478 2.626 . 0 0 "[ . 1 . 2]" 1 514 1 26 GLN H 1 26 GLN HB2 2.650 . 3.500 2.513 2.434 2.599 . 0 0 "[ . 1 . 2]" 1 515 1 26 GLN H 1 26 GLN HB3 3.150 . 4.500 3.700 3.657 3.750 . 0 0 "[ . 1 . 2]" 1 516 1 26 GLN H 1 26 GLN HB3 3.150 . 4.500 3.590 3.537 3.647 . 0 0 "[ . 1 . 2]" 1 517 1 26 GLN H 1 26 GLN HG2 3.150 . 4.500 3.786 3.642 4.080 . 0 0 "[ . 1 . 2]" 1 518 1 26 GLN H 1 26 GLN HG3 3.150 . 4.500 2.708 2.573 3.018 . 0 0 "[ . 1 . 2]" 1 519 1 26 GLN H 1 27 VAL H 2.650 . 3.500 3.381 3.182 3.537 0.037 3 0 "[ . 1 . 2]" 1 520 1 26 GLN H 1 28 LEU MD2 3.150 . 4.500 3.352 3.198 3.551 . 0 0 "[ . 1 . 2]" 1 521 1 26 GLN H 1 35 CYS H 3.150 . 4.500 3.676 3.648 3.703 . 0 0 "[ . 1 . 2]" 1 522 1 26 GLN H 1 34 GLN HA 3.650 . 5.500 4.390 4.260 4.476 . 0 0 "[ . 1 . 2]" 1 523 1 26 GLN H 1 35 CYS HA 2.650 . 3.500 3.208 3.082 3.340 . 0 0 "[ . 1 . 2]" 1 524 1 26 GLN H 1 36 LEU HG 3.150 . 4.500 2.907 2.739 3.090 . 0 0 "[ . 1 . 2]" 1 525 1 26 GLN HA 1 26 GLN HB2 2.650 . 3.500 3.015 3.001 3.023 . 0 0 "[ . 1 . 2]" 1 526 1 26 GLN HA 1 26 GLN HB3 2.650 . 2.800 2.479 2.439 2.545 . 0 0 "[ . 1 . 2]" 1 527 1 26 GLN HA 1 26 GLN HE21 3.650 . 5.500 4.898 4.704 4.973 . 0 0 "[ . 1 . 2]" 1 528 1 26 GLN HA 1 26 GLN HG2 2.650 . 3.500 2.514 2.450 2.599 . 0 0 "[ . 1 . 2]" 1 529 1 26 GLN HA 1 26 GLN HG3 3.150 . 4.500 3.074 2.850 3.183 . 0 0 "[ . 1 . 2]" 1 530 1 26 GLN HA 1 27 VAL H 2.300 . 2.800 2.111 2.019 2.179 . 0 0 "[ . 1 . 2]" 1 531 1 26 GLN HA 1 27 VAL MG2 3.150 . 3.500 3.458 3.371 3.523 0.023 16 0 "[ . 1 . 2]" 1 532 1 26 GLN HB2 1 26 GLN HE21 3.650 . 5.500 3.866 2.885 4.094 . 0 0 "[ . 1 . 2]" 1 533 1 26 GLN HB2 1 26 GLN HG2 2.650 . 3.500 3.011 3.003 3.023 . 0 0 "[ . 1 . 2]" 1 534 1 26 GLN HB2 1 26 GLN HG2 2.300 . 2.800 2.256 2.245 2.268 . 0 0 "[ . 1 . 2]" 1 535 1 26 GLN HB2 1 26 GLN HG3 2.650 . 3.500 2.431 2.396 2.486 . 0 0 "[ . 1 . 2]" 1 536 1 26 GLN HB2 1 36 LEU MD1 2.300 . 2.800 1.994 1.938 2.052 . 0 0 "[ . 1 . 2]" 1 537 1 26 GLN HB2 1 34 GLN H 2.650 . 3.500 2.561 2.500 2.667 . 0 0 "[ . 1 . 2]" 1 538 1 26 GLN HB3 1 26 GLN HG2 2.300 . 2.800 2.259 2.229 2.273 . 0 0 "[ . 1 . 2]" 1 539 1 26 GLN HB3 1 26 GLN HG3 2.650 . 3.500 3.009 3.004 3.016 . 0 0 "[ . 1 . 2]" 1 540 1 26 GLN HB3 1 34 GLN H 3.150 . 4.500 3.556 3.457 3.658 . 0 0 "[ . 1 . 2]" 1 541 1 26 GLN HB3 1 36 LEU HG 3.650 . 5.500 4.934 4.552 5.355 . 0 0 "[ . 1 . 2]" 1 542 1 26 GLN HE21 1 26 GLN HG2 3.150 . 4.500 2.972 2.859 3.432 . 0 0 "[ . 1 . 2]" 1 543 1 26 GLN HE21 1 26 GLN HG3 3.150 . 4.500 2.208 2.179 2.225 . 0 0 "[ . 1 . 2]" 1 544 1 26 GLN HE21 1 36 LEU MD1 3.650 . 5.500 3.300 1.960 3.944 . 0 0 "[ . 1 . 2]" 1 545 1 26 GLN HE21 1 36 LEU H 3.650 . 5.500 3.780 2.961 4.148 . 0 0 "[ . 1 . 2]" 1 546 1 26 GLN HE21 1 36 LEU QB 3.650 . 5.500 2.478 1.808 2.886 . 0 0 "[ . 1 . 2]" 1 547 1 26 GLN HE22 1 26 GLN HG2 3.650 . 5.500 3.797 3.732 4.036 . 0 0 "[ . 1 . 2]" 1 548 1 26 GLN HE22 1 26 GLN HG3 3.650 . 5.500 3.465 3.448 3.486 . 0 0 "[ . 1 . 2]" 1 549 1 26 GLN HE22 1 36 LEU H 3.650 . 5.500 4.051 3.868 4.158 . 0 0 "[ . 1 . 2]" 1 550 1 26 GLN HE22 1 36 LEU MD2 3.650 . 5.500 3.926 3.017 4.201 . 0 0 "[ . 1 . 2]" 1 551 1 26 GLN HE22 1 36 LEU QB 3.150 . 4.500 2.725 2.289 3.085 . 0 0 "[ . 1 . 2]" 1 552 1 26 GLN HE22 1 36 LEU MD1 3.650 . 5.500 3.251 2.956 3.459 . 0 0 "[ . 1 . 2]" 1 553 1 26 GLN HG3 1 27 VAL H 3.650 . 5.500 4.997 4.816 5.118 . 0 0 "[ . 1 . 2]" 1 554 1 26 GLN HG3 1 36 LEU QB 3.150 . 4.500 3.064 2.751 3.690 . 0 0 "[ . 1 . 2]" 1 555 1 26 GLN HG3 1 36 LEU MD1 3.150 . 4.500 3.712 3.372 4.492 . 0 0 "[ . 1 . 2]" 1 556 1 27 VAL H 1 27 VAL HB 2.650 . 3.500 2.223 2.128 2.279 . 0 0 "[ . 1 . 2]" 1 557 1 27 VAL H 1 27 VAL HB 2.300 . 2.800 2.094 1.969 2.245 . 0 0 "[ . 1 . 2]" 1 558 1 27 VAL H 1 27 VAL MG1 2.650 . 3.500 2.982 2.773 3.168 . 0 0 "[ . 1 . 2]" 1 559 1 27 VAL H 1 27 VAL MG2 2.300 . 2.800 2.165 2.050 2.319 . 0 0 "[ . 1 . 2]" 1 560 1 27 VAL H 1 34 GLN H 3.150 . 4.500 3.448 3.216 3.637 . 0 0 "[ . 1 . 2]" 1 561 1 27 VAL HA 1 27 VAL HB 2.650 . 3.500 3.039 3.032 3.048 . 0 0 "[ . 1 . 2]" 1 562 1 27 VAL HA 1 27 VAL MG1 2.650 . 2.800 2.413 2.370 2.460 . 0 0 "[ . 1 . 2]" 1 563 1 27 VAL HA 1 27 VAL MG2 2.300 . 2.800 2.429 2.370 2.487 . 0 0 "[ . 1 . 2]" 1 564 1 27 VAL HA 1 28 LEU H 2.300 . 2.800 2.142 2.109 2.201 . 0 0 "[ . 1 . 2]" 1 565 1 27 VAL HA 1 28 LEU HB3 3.650 . 5.500 4.218 3.847 4.960 . 0 0 "[ . 1 . 2]" 1 566 1 27 VAL HA 1 33 SER HA . . 2.800 2.211 2.040 2.437 . 0 0 "[ . 1 . 2]" 1 567 1 27 VAL HA 1 33 SER HB3 2.300 . 2.800 2.744 2.509 2.826 0.026 3 0 "[ . 1 . 2]" 1 568 1 27 VAL HA 1 34 GLN H 3.150 . 4.500 3.656 3.449 3.849 . 0 0 "[ . 1 . 2]" 1 569 1 27 VAL HB 1 27 VAL MG1 2.300 . 2.800 2.128 2.120 2.135 . 0 0 "[ . 1 . 2]" 1 570 1 27 VAL MG1 1 28 LEU H 2.650 . 3.500 2.802 2.575 3.014 . 0 0 "[ . 1 . 2]" 1 571 1 27 VAL MG1 1 28 LEU HA 3.650 . 5.500 4.134 3.954 4.443 . 0 0 "[ . 1 . 2]" 1 572 1 27 VAL MG1 1 29 ASN H 2.650 . 3.500 3.171 2.799 3.441 . 0 0 "[ . 1 . 2]" 1 573 1 27 VAL MG1 1 29 ASN HA 3.150 . 4.500 3.981 3.600 4.375 . 0 0 "[ . 1 . 2]" 1 574 1 27 VAL MG1 1 30 PRO HA 3.650 . 4.500 3.204 2.726 3.837 . 0 0 "[ . 1 . 2]" 1 575 1 27 VAL MG1 1 33 SER HA 3.650 . 5.500 3.780 3.557 4.061 . 0 0 "[ . 1 . 2]" 1 576 1 27 VAL MG2 1 33 SER HB2 3.650 . 5.500 3.923 3.751 4.067 . 0 0 "[ . 1 . 2]" 1 577 1 27 VAL MG2 1 33 SER HA 3.150 . 4.500 3.751 3.562 3.914 . 0 0 "[ . 1 . 2]" 1 578 1 27 VAL MG2 1 33 SER HB2 3.150 . 4.500 3.987 3.765 4.324 . 0 0 "[ . 1 . 2]" 1 579 1 27 VAL MG2 1 33 SER HB3 3.650 . 5.500 2.954 2.715 3.356 . 0 0 "[ . 1 . 2]" 1 580 1 28 LEU H 1 28 LEU HB3 2.650 . 3.500 2.458 2.219 3.001 . 0 0 "[ . 1 . 2]" 1 581 1 28 LEU H 1 28 LEU HB3 2.650 . 3.500 2.612 2.312 3.261 . 0 0 "[ . 1 . 2]" 1 582 1 28 LEU H 1 28 LEU HG 2.650 . 3.500 2.552 2.308 3.196 . 0 0 "[ . 1 . 2]" 1 583 1 28 LEU H 1 28 LEU MD1 3.150 . 4.500 3.768 2.151 4.360 . 0 0 "[ . 1 . 2]" 1 584 1 28 LEU H 1 32 TYR HB3 3.650 . 5.500 2.870 2.272 3.126 . 0 0 "[ . 1 . 2]" 1 585 1 28 LEU H 1 32 TYR QD 3.650 . 5.500 3.497 3.369 3.890 . 0 0 "[ . 1 . 2]" 1 586 1 28 LEU H 1 32 TYR HB3 3.650 . 5.500 3.906 3.484 4.097 . 0 0 "[ . 1 . 2]" 1 587 1 28 LEU H 1 33 SER HA 2.650 . 3.500 2.177 2.016 2.306 . 0 0 "[ . 1 . 2]" 1 588 1 28 LEU HA 1 28 LEU HB2 2.650 . 3.500 2.923 2.607 3.027 . 0 0 "[ . 1 . 2]" 1 589 1 28 LEU HA 1 28 LEU HB3 2.300 . 2.800 2.377 2.199 2.459 . 0 0 "[ . 1 . 2]" 1 590 1 28 LEU HA 1 28 LEU MD1 3.650 . 5.500 3.778 3.065 3.884 . 0 0 "[ . 1 . 2]" 1 591 1 28 LEU HA 1 28 LEU MD2 2.650 . 3.500 2.436 2.053 3.603 0.103 6 0 "[ . 1 . 2]" 1 592 1 28 LEU HA 1 32 TYR QD 3.650 . 5.500 5.214 4.891 5.528 0.028 3 0 "[ . 1 . 2]" 1 593 1 28 LEU HB2 1 28 LEU MD1 2.650 . 3.500 2.329 2.238 2.393 . 0 0 "[ . 1 . 2]" 1 594 1 28 LEU HB2 1 28 LEU MD1 2.650 . 3.500 2.047 1.858 2.224 . 0 0 "[ . 1 . 2]" 1 595 1 28 LEU HB2 1 29 ASN H 3.150 . 4.500 2.736 2.233 3.637 . 0 0 "[ . 1 . 2]" 1 596 1 28 LEU HB2 1 29 ASN HA 3.150 . 4.500 4.042 3.847 4.329 . 0 0 "[ . 1 . 2]" 1 597 1 28 LEU HB2 1 29 ASN QB 3.650 . 5.500 3.835 3.550 4.329 . 0 0 "[ . 1 . 2]" 1 598 1 28 LEU HB2 1 29 ASN HD21 4.150 . 6.500 4.315 2.019 6.115 . 0 0 "[ . 1 . 2]" 1 599 1 28 LEU HB2 1 32 TYR HB3 3.150 . 4.500 3.465 2.376 4.534 0.034 5 0 "[ . 1 . 2]" 1 600 1 28 LEU HB2 1 32 TYR QD 2.650 . 3.500 2.546 1.953 3.214 . 0 0 "[ . 1 . 2]" 1 601 1 28 LEU HB2 1 33 SER HA 3.650 . 5.500 3.743 3.382 4.051 . 0 0 "[ . 1 . 2]" 1 602 1 28 LEU HB3 1 32 TYR QD 2.650 . 3.500 2.923 2.000 3.523 0.023 6 0 "[ . 1 . 2]" 1 603 1 28 LEU HB3 1 33 SER HA 3.650 . 5.500 3.532 3.078 4.786 . 0 0 "[ . 1 . 2]" 1 604 1 28 LEU HB3 1 29 ASN HD21 4.150 . 6.500 4.291 2.319 6.117 . 0 0 "[ . 1 . 2]" 1 605 1 28 LEU HB3 1 29 ASN HD22 4.150 . 6.500 4.167 3.031 5.344 . 0 0 "[ . 1 . 2]" 1 606 1 28 LEU MD1 1 32 TYR HB3 3.650 . 5.500 4.180 3.941 4.516 . 0 0 "[ . 1 . 2]" 1 607 1 28 LEU MD1 1 32 TYR QD 2.650 . 3.500 2.312 2.054 3.303 . 0 0 "[ . 1 . 2]" 1 608 1 28 LEU MD1 1 32 TYR QE 2.650 . 3.500 2.327 1.969 3.510 0.010 3 0 "[ . 1 . 2]" 1 609 1 28 LEU MD1 1 33 SER HA 3.650 . 5.500 4.226 2.509 4.975 . 0 0 "[ . 1 . 2]" 1 610 1 28 LEU MD1 1 34 GLN H 3.150 . 4.500 3.702 2.262 4.440 . 0 0 "[ . 1 . 2]" 1 611 1 28 LEU MD1 1 34 GLN HB2 3.150 . 4.500 2.921 2.561 3.474 . 0 0 "[ . 1 . 2]" 1 612 1 28 LEU MD1 1 34 GLN HE21 3.650 . 5.500 3.632 1.767 4.399 0.033 13 0 "[ . 1 . 2]" 1 613 1 28 LEU MD2 1 29 ASN H 3.650 . 5.500 4.329 3.548 4.712 . 0 0 "[ . 1 . 2]" 1 614 1 28 LEU MD2 1 32 TYR QD 3.150 . 4.500 4.029 2.843 4.520 0.020 16 0 "[ . 1 . 2]" 1 615 1 28 LEU MD2 1 32 TYR QE 3.650 . 5.500 4.511 2.838 4.990 . 0 0 "[ . 1 . 2]" 1 616 1 29 ASN H 1 29 ASN HA 2.650 . 3.500 2.928 2.896 2.953 . 0 0 "[ . 1 . 2]" 1 617 1 29 ASN H 1 29 ASN QB 3.150 . 4.500 2.643 2.507 2.805 . 0 0 "[ . 1 . 2]" 1 618 1 29 ASN H 1 29 ASN QB 3.150 . 4.500 2.435 2.312 2.559 . 0 0 "[ . 1 . 2]" 1 619 1 29 ASN H 1 30 PRO HD2 3.650 . 5.500 5.079 5.042 5.128 . 0 0 "[ . 1 . 2]" 1 620 1 29 ASN H 1 32 TYR HB3 3.650 . 5.500 2.921 2.296 3.192 . 0 0 "[ . 1 . 2]" 1 621 1 29 ASN HA 1 29 ASN QB 2.300 . 2.800 2.377 2.337 2.440 . 0 0 "[ . 1 . 2]" 1 622 1 29 ASN HA 1 29 ASN HD21 3.650 . 5.500 4.210 2.711 4.586 . 0 0 "[ . 1 . 2]" 1 623 1 29 ASN HA 1 30 PRO HD2 2.650 . 3.500 3.181 3.115 3.338 . 0 0 "[ . 1 . 2]" 1 624 1 29 ASN HA 1 30 PRO HD3 2.650 . 2.800 2.286 2.192 2.383 . 0 0 "[ . 1 . 2]" 1 625 1 29 ASN HA 1 30 PRO HG2 3.650 . 5.500 4.880 4.791 4.969 . 0 0 "[ . 1 . 2]" 1 626 1 29 ASN HA 1 30 PRO HG3 3.650 . 5.500 4.358 4.255 4.466 . 0 0 "[ . 1 . 2]" 1 627 1 29 ASN QB 1 29 ASN HD21 2.300 . 2.800 2.232 2.129 2.817 0.017 3 0 "[ . 1 . 2]" 1 628 1 29 ASN QB 1 29 ASN HD22 3.150 . 3.500 3.246 3.180 3.477 . 0 0 "[ . 1 . 2]" 1 629 1 29 ASN QB 1 29 ASN HD22 3.650 . 5.500 3.104 2.870 3.338 . 0 0 "[ . 1 . 2]" 1 630 1 29 ASN QB 1 30 PRO HD2 2.300 . 2.800 2.060 1.969 2.137 . 0 0 "[ . 1 . 2]" 1 631 1 29 ASN QB 1 30 PRO HD3 2.300 . 2.800 2.778 2.615 2.807 0.007 9 0 "[ . 1 . 2]" 1 632 1 29 ASN QB 1 30 PRO HG2 3.650 . 4.500 4.251 4.146 4.336 . 0 0 "[ . 1 . 2]" 1 633 1 29 ASN QB 1 31 TYR H 3.150 . 4.500 2.869 2.519 3.038 . 0 0 "[ . 1 . 2]" 1 634 1 29 ASN QB 1 31 TYR QD 3.150 . 4.500 4.045 3.268 4.486 . 0 0 "[ . 1 . 2]" 1 635 1 29 ASN QB 1 32 TYR H 3.650 . 5.500 2.100 1.884 2.354 . 0 0 "[ . 1 . 2]" 1 636 1 29 ASN HD21 1 30 PRO HD2 3.650 . 5.500 4.971 3.856 5.509 0.009 5 0 "[ . 1 . 2]" 1 637 1 29 ASN HD21 1 30 PRO HD3 4.150 . 6.500 5.532 4.551 5.895 . 0 0 "[ . 1 . 2]" 1 638 1 29 ASN HD21 1 32 TYR HB2 3.650 . 5.500 3.087 2.529 4.286 . 0 0 "[ . 1 . 2]" 1 639 1 29 ASN HD21 1 32 TYR HB3 3.650 . 5.500 2.440 1.786 3.857 0.014 5 0 "[ . 1 . 2]" 1 640 1 29 ASN HD22 1 32 TYR HB2 3.150 . 4.500 4.387 3.917 4.520 0.020 8 0 "[ . 1 . 2]" 1 641 1 29 ASN HD22 1 32 TYR HB3 3.150 . 4.500 3.635 3.384 4.193 . 0 0 "[ . 1 . 2]" 1 642 1 30 PRO HA 1 30 PRO HB3 2.300 . 2.800 2.315 2.298 2.331 . 0 0 "[ . 1 . 2]" 1 643 1 30 PRO HB2 1 30 PRO HD2 3.150 . 4.500 2.889 2.823 2.933 . 0 0 "[ . 1 . 2]" 1 644 1 30 PRO HB2 1 31 TYR H 3.150 . 4.500 2.578 2.449 2.818 . 0 0 "[ . 1 . 2]" 1 645 1 30 PRO HB3 1 30 PRO HD3 3.650 . 5.500 4.075 4.055 4.097 . 0 0 "[ . 1 . 2]" 1 646 1 30 PRO HB3 1 30 PRO HG3 2.300 . 2.800 2.331 2.317 2.347 . 0 0 "[ . 1 . 2]" 1 647 1 30 PRO HB3 1 31 TYR QD 3.650 . 5.500 4.278 3.865 4.838 . 0 0 "[ . 1 . 2]" 1 648 1 30 PRO HB3 1 31 TYR QE 3.650 . 5.500 4.372 3.866 4.795 . 0 0 "[ . 1 . 2]" 1 649 1 30 PRO HD2 1 30 PRO HG2 2.650 . 3.500 2.309 2.292 2.331 . 0 0 "[ . 1 . 2]" 1 650 1 30 PRO HD2 1 30 PRO HG3 2.650 . 3.500 2.985 2.973 2.993 . 0 0 "[ . 1 . 2]" 1 651 1 30 PRO HD2 1 31 TYR H 3.150 . 4.500 2.877 2.649 3.146 . 0 0 "[ . 1 . 2]" 1 652 1 30 PRO HD2 1 31 TYR QD 3.150 . 4.500 3.488 2.883 4.024 . 0 0 "[ . 1 . 2]" 1 653 1 30 PRO HD2 1 31 TYR QE 3.650 . 5.500 4.687 3.662 5.502 0.002 8 0 "[ . 1 . 2]" 1 654 1 30 PRO HD3 1 30 PRO HG2 2.650 . 3.500 2.695 2.679 2.714 . 0 0 "[ . 1 . 2]" 1 655 1 30 PRO HD3 1 30 PRO HG3 2.650 . 3.500 2.326 2.310 2.336 . 0 0 "[ . 1 . 2]" 1 656 1 30 PRO HD3 1 31 TYR QD 3.650 . 5.500 5.110 4.605 5.500 . 0 0 "[ . 1 . 2]" 1 657 1 30 PRO HG2 1 31 TYR HA 4.150 . 6.500 6.380 6.209 6.498 . 0 0 "[ . 1 . 2]" 1 658 1 30 PRO HG2 1 31 TYR QD 3.650 . 5.500 3.995 3.570 4.444 . 0 0 "[ . 1 . 2]" 1 659 1 30 PRO HG2 1 31 TYR QE 3.650 . 5.500 3.983 3.582 4.566 . 0 0 "[ . 1 . 2]" 1 660 1 31 TYR H 1 31 TYR HB2 2.650 . 3.500 2.580 2.489 2.696 . 0 0 "[ . 1 . 2]" 1 661 1 31 TYR H 1 31 TYR HB3 3.150 . 4.500 3.689 3.658 3.737 . 0 0 "[ . 1 . 2]" 1 662 1 31 TYR H 1 31 TYR QD 2.650 . 3.500 2.399 2.152 2.675 . 0 0 "[ . 1 . 2]" 1 663 1 31 TYR H 1 32 TYR H 2.300 . 2.800 2.095 2.008 2.215 . 0 0 "[ . 1 . 2]" 1 664 1 31 TYR HA 1 31 TYR HB2 2.650 . 3.500 3.029 3.016 3.042 . 0 0 "[ . 1 . 2]" 1 665 1 31 TYR HA 1 31 TYR HB3 2.650 . 3.500 2.437 2.360 2.495 . 0 0 "[ . 1 . 2]" 1 666 1 31 TYR HA 1 31 TYR QD 2.650 . 3.500 3.068 2.848 3.234 . 0 0 "[ . 1 . 2]" 1 667 1 31 TYR HA 1 31 TYR QE 3.650 . 5.500 4.784 4.676 4.873 . 0 0 "[ . 1 . 2]" 1 668 1 31 TYR HA 1 32 TYR H 3.150 . 4.500 3.472 3.424 3.521 . 0 0 "[ . 1 . 2]" 1 669 1 31 TYR HB2 1 31 TYR QD 2.300 . 2.800 2.456 2.355 2.602 . 0 0 "[ . 1 . 2]" 1 670 1 31 TYR HB2 1 31 TYR QE 3.150 . 4.500 4.427 4.386 4.460 . 0 0 "[ . 1 . 2]" 1 671 1 31 TYR HB2 1 32 TYR H 2.650 . 3.500 2.505 2.434 2.573 . 0 0 "[ . 1 . 2]" 1 672 1 31 TYR HB3 1 31 TYR QD 2.650 . 3.500 2.369 2.272 2.476 . 0 0 "[ . 1 . 2]" 1 673 1 31 TYR HB3 1 32 TYR H 3.650 . 5.500 3.997 3.903 4.053 . 0 0 "[ . 1 . 2]" 1 674 1 31 TYR QD 1 32 TYR H 3.650 . 5.500 4.021 3.689 4.227 . 0 0 "[ . 1 . 2]" 1 675 1 32 TYR H 1 32 TYR HB2 2.650 . 3.500 2.692 2.605 2.791 . 0 0 "[ . 1 . 2]" 1 676 1 32 TYR H 1 32 TYR HB3 3.150 . 4.500 2.694 2.627 2.752 . 0 0 "[ . 1 . 2]" 1 677 1 32 TYR H 1 32 TYR QD 3.650 . 5.500 4.274 4.235 4.314 . 0 0 "[ . 1 . 2]" 1 678 1 32 TYR H 1 33 SER H 3.150 . 4.500 4.316 4.291 4.332 . 0 0 "[ . 1 . 2]" 1 679 1 32 TYR HA 1 32 TYR HB2 2.650 . 3.500 2.538 2.490 2.590 . 0 0 "[ . 1 . 2]" 1 680 1 32 TYR HA 1 32 TYR QD 2.300 . 2.800 2.504 2.129 2.721 . 0 0 "[ . 1 . 2]" 1 681 1 32 TYR HA 1 32 TYR QE 3.650 . 5.500 4.425 4.296 4.508 . 0 0 "[ . 1 . 2]" 1 682 1 32 TYR HA 1 33 SER H 2.300 . 2.800 2.106 2.065 2.180 . 0 0 "[ . 1 . 2]" 1 683 1 32 TYR HB2 1 32 TYR QD 2.300 . 2.800 2.535 2.446 2.617 . 0 0 "[ . 1 . 2]" 1 684 1 32 TYR HB3 1 32 TYR QD 2.300 . 2.800 2.331 2.263 2.636 . 0 0 "[ . 1 . 2]" 1 685 1 32 TYR HB3 1 33 SER H 3.650 . 5.500 4.222 4.158 4.279 . 0 0 "[ . 1 . 2]" 1 686 1 32 TYR QD 1 34 GLN HB2 3.150 . 4.500 3.617 3.081 4.283 . 0 0 "[ . 1 . 2]" 1 687 1 32 TYR QE 1 34 GLN HA 3.650 . 5.500 4.512 4.105 5.169 . 0 0 "[ . 1 . 2]" 1 688 1 32 TYR QE 1 34 GLN HB2 2.650 . 3.500 2.480 1.998 3.291 . 0 0 "[ . 1 . 2]" 1 689 1 32 TYR QE 1 34 GLN HB3 2.650 . 3.500 3.412 3.108 3.518 0.018 10 0 "[ . 1 . 2]" 1 690 1 32 TYR QE 1 34 GLN HE21 3.650 . 5.500 3.179 2.217 4.284 . 0 0 "[ . 1 . 2]" 1 691 1 33 SER H 1 33 SER HB2 2.650 . 3.500 2.666 2.577 2.888 . 0 0 "[ . 1 . 2]" 1 692 1 33 SER H 1 33 SER HB3 3.150 . 4.500 3.755 3.696 3.857 . 0 0 "[ . 1 . 2]" 1 693 1 33 SER H 1 34 GLN HB3 3.650 . 5.500 4.206 3.852 4.331 . 0 0 "[ . 1 . 2]" 1 694 1 33 SER HA 1 33 SER HB3 2.650 . 3.500 2.436 2.376 2.460 . 0 0 "[ . 1 . 2]" 1 695 1 33 SER HA 1 34 GLN H 2.300 . 2.800 2.251 2.195 2.327 . 0 0 "[ . 1 . 2]" 1 696 1 33 SER HB2 1 34 GLN H 3.150 . 4.500 3.365 3.244 3.422 . 0 0 "[ . 1 . 2]" 1 697 1 34 GLN H 1 34 GLN HB2 2.650 . 3.500 3.214 3.084 3.334 . 0 0 "[ . 1 . 2]" 1 698 1 34 GLN H 1 34 GLN HB3 2.650 . 3.500 2.643 2.544 2.744 . 0 0 "[ . 1 . 2]" 1 699 1 34 GLN H 1 35 CYS H 3.150 . 4.500 3.852 3.823 3.906 . 0 0 "[ . 1 . 2]" 1 700 1 34 GLN HA 1 35 CYS H 2.300 . 2.800 2.228 2.187 2.276 . 0 0 "[ . 1 . 2]" 1 701 1 34 GLN HB2 1 34 GLN QG 2.300 . 2.800 2.348 2.303 2.396 . 0 0 "[ . 1 . 2]" 1 702 1 34 GLN HB2 1 35 CYS H 3.150 . 4.500 4.038 3.920 4.152 . 0 0 "[ . 1 . 2]" 1 703 1 34 GLN HB3 1 36 LEU MD2 3.150 . 4.500 3.586 3.351 3.998 . 0 0 "[ . 1 . 2]" 1 704 1 34 GLN HB3 1 36 LEU HG 3.150 . 4.500 3.221 2.939 3.645 . 0 0 "[ . 1 . 2]" 1 705 1 34 GLN HE21 1 34 GLN QG 2.650 . 3.500 2.209 2.175 2.241 . 0 0 "[ . 1 . 2]" 1 706 1 34 GLN HE21 1 36 LEU MD2 3.650 . 5.500 4.293 1.787 4.926 0.013 12 0 "[ . 1 . 2]" 1 707 1 34 GLN HE22 1 34 GLN QG 2.650 . 3.500 3.279 3.265 3.296 . 0 0 "[ . 1 . 2]" 1 708 1 34 GLN QG 1 35 CYS H 2.650 . 3.500 2.515 2.370 2.613 . 0 0 "[ . 1 . 2]" 1 709 1 34 GLN QG 1 36 LEU MD2 3.150 . 4.500 2.641 2.376 3.046 . 0 0 "[ . 1 . 2]" 1 710 1 34 GLN QG 1 36 LEU HG 2.650 . 3.500 2.866 2.305 3.118 . 0 0 "[ . 1 . 2]" 1 711 1 35 CYS H 1 35 CYS HA 2.650 . 3.500 2.847 2.830 2.861 . 0 0 "[ . 1 . 2]" 1 712 1 35 CYS H 1 35 CYS HB2 2.650 . 3.500 2.566 2.520 2.649 . 0 0 "[ . 1 . 2]" 1 713 1 35 CYS H 1 35 CYS HB3 2.650 . 3.500 3.569 3.545 3.588 0.088 10 0 "[ . 1 . 2]" 1 714 1 35 CYS H 1 36 LEU HG 3.650 . 5.500 4.730 4.537 4.982 . 0 0 "[ . 1 . 2]" 1 715 1 35 CYS HA 1 35 CYS HB2 2.650 . 3.500 3.025 3.012 3.039 . 0 0 "[ . 1 . 2]" 1 716 1 35 CYS HA 1 35 CYS HB3 2.650 . 3.500 2.386 2.355 2.415 . 0 0 "[ . 1 . 2]" 1 717 1 35 CYS HA 1 36 LEU H 2.300 . 2.800 2.100 2.054 2.132 . 0 0 "[ . 1 . 2]" 1 718 1 35 CYS HA 1 36 LEU QB 3.150 . 4.500 4.351 4.310 4.403 . 0 0 "[ . 1 . 2]" 1 719 1 35 CYS HA 1 36 LEU HG 3.150 . 4.500 4.233 4.074 4.407 . 0 0 "[ . 1 . 2]" 1 720 1 35 CYS HB2 1 36 LEU H 3.150 . 4.500 4.278 4.200 4.326 . 0 0 "[ . 1 . 2]" 1 721 1 35 CYS HB2 1 36 LEU HA 4.150 . 6.500 4.752 4.640 4.856 . 0 0 "[ . 1 . 2]" 1 722 1 36 LEU H 1 36 LEU HA 2.650 . 3.500 2.920 2.912 2.929 . 0 0 "[ . 1 . 2]" 1 723 1 36 LEU H 1 36 LEU QB 2.300 . 2.800 2.453 2.402 2.506 . 0 0 "[ . 1 . 2]" 1 724 1 36 LEU H 1 36 LEU HG 2.650 . 3.500 2.976 2.798 3.147 . 0 0 "[ . 1 . 2]" 1 725 1 36 LEU HA 1 36 LEU QB 2.300 . 2.800 2.384 2.365 2.407 . 0 0 "[ . 1 . 2]" 1 726 1 36 LEU HA 1 36 LEU MD1 3.150 . 4.500 3.870 3.845 3.891 . 0 0 "[ . 1 . 2]" 1 727 1 36 LEU HA 1 36 LEU MD2 2.300 . 2.800 2.056 1.983 2.122 . 0 0 "[ . 1 . 2]" 1 728 1 36 LEU HA 1 36 LEU HG 3.150 . 4.500 3.106 3.025 3.159 . 0 0 "[ . 1 . 2]" 1 729 1 36 LEU QB 1 36 LEU MD1 2.300 . 2.800 2.094 2.080 2.109 . 0 0 "[ . 1 . 2]" 1 730 1 36 LEU QB 1 36 LEU HG 2.300 . 2.800 2.368 2.351 2.384 . 0 0 "[ . 1 . 2]" 1 731 1 36 LEU MD1 1 36 LEU HG 2.300 . 2.800 2.126 2.118 2.132 . 0 0 "[ . 1 . 2]" 1 732 1 36 LEU MD2 1 36 LEU HG 2.300 . 2.800 2.130 2.118 2.140 . 0 0 "[ . 1 . 2]" 1 733 2 1 MAN H3 2 1 MAN H5 2.650 . 3.500 2.372 2.216 2.475 . 0 0 "[ . 1 . 2]" 1 734 2 1 MAN H5 2 1 MAN H62 2.650 . 3.500 2.651 2.371 3.074 . 0 0 "[ . 1 . 2]" 1 stop_ save_
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