NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
374537 | 1ehj | 4743 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ehj 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 893 _Distance_constraint_stats_list.Viol_count 67 _Distance_constraint_stats_list.Viol_total 13.679 _Distance_constraint_stats_list.Viol_max 1.073 _Distance_constraint_stats_list.Viol_rms 0.0743 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0153 _Distance_constraint_stats_list.Viol_average_violations_only 0.2042 _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 2 ASP 0.474 0.302 1 0 "[ ]" 1 3 VAL 0.000 0.000 . 0 "[ ]" 1 4 VAL 1.028 0.663 1 1 [+] 1 5 THR 0.104 0.087 1 0 "[ ]" 1 6 TYR 2.661 1.073 1 1 [+] 1 7 GLU 0.584 0.206 1 0 "[ ]" 1 8 ASN 0.638 0.395 1 0 "[ ]" 1 9 LYS 0.037 0.037 1 0 "[ ]" 1 10 LYS 0.946 0.382 1 0 "[ ]" 1 11 GLY 0.000 0.000 . 0 "[ ]" 1 12 ASN 0.298 0.186 1 0 "[ ]" 1 13 VAL 0.227 0.227 1 0 "[ ]" 1 14 THR 0.000 0.000 . 0 "[ ]" 1 15 PHE 1.582 1.073 1 1 [+] 1 16 ASP 0.000 0.000 . 0 "[ ]" 1 17 HIS 0.044 0.044 1 0 "[ ]" 1 18 LYS 1.364 0.443 1 0 "[ ]" 1 19 ALA 0.610 0.357 1 0 "[ ]" 1 20 HIS 0.104 0.104 1 0 "[ ]" 1 21 ALA 0.371 0.365 1 0 "[ ]" 1 22 GLU 1.157 0.629 1 1 [+] 1 23 LYS 1.009 0.629 1 1 [+] 1 24 LEU 0.461 0.276 1 0 "[ ]" 1 25 GLY 0.918 0.365 1 0 "[ ]" 1 26 CYS 0.000 0.000 . 0 "[ ]" 1 27 ASP 0.802 0.604 1 1 [+] 1 28 ALA 0.057 0.035 1 0 "[ ]" 1 29 CYS 0.000 0.000 . 0 "[ ]" 1 30 HIS 0.360 0.148 1 0 "[ ]" 1 31 GLU 0.705 0.604 1 1 [+] 1 32 GLY 0.007 0.007 1 0 "[ ]" 1 33 THR 0.007 0.007 1 0 "[ ]" 1 34 PRO 0.576 0.338 1 0 "[ ]" 1 35 ALA 0.000 0.000 . 0 "[ ]" 1 36 LYS 0.633 0.338 1 0 "[ ]" 1 37 ILE 0.837 0.475 1 0 "[ ]" 1 38 ALA 0.555 0.475 1 0 "[ ]" 1 39 ILE 0.000 0.000 . 0 "[ ]" 1 40 ASP 0.234 0.234 1 0 "[ ]" 1 41 LYS 1.415 0.382 1 0 "[ ]" 1 42 LYS 0.794 0.345 1 0 "[ ]" 1 43 SER 0.222 0.211 1 0 "[ ]" 1 44 ALA 0.000 0.000 . 0 "[ ]" 1 45 HIS 0.011 0.011 1 0 "[ ]" 1 46 LYS 0.081 0.081 1 0 "[ ]" 1 47 ASP 0.243 0.218 1 0 "[ ]" 1 48 ALA 0.081 0.081 1 0 "[ ]" 1 49 CYS 0.025 0.025 1 0 "[ ]" 1 50 LYS 0.000 0.000 . 0 "[ ]" 1 51 THR 0.093 0.093 1 0 "[ ]" 1 52 CYS 0.000 0.000 . 0 "[ ]" 1 53 HIS 0.000 0.000 . 0 "[ ]" 1 54 LYS 1.010 0.349 1 0 "[ ]" 1 55 SER 0.000 0.000 . 0 "[ ]" 1 56 ASN 0.000 0.000 . 0 "[ ]" 1 57 ASN 0.000 0.000 . 0 "[ ]" 1 59 PRO 0.000 0.000 . 0 "[ ]" 1 60 THR 0.082 0.082 1 0 "[ ]" 1 61 LYS 0.000 0.000 . 0 "[ ]" 1 62 CYS 0.082 0.082 1 0 "[ ]" 1 63 GLY 0.000 0.000 . 0 "[ ]" 1 64 GLY 0.035 0.035 1 0 "[ ]" 1 65 CYS 0.066 0.066 1 0 "[ ]" 1 66 HIS 0.947 0.395 1 0 "[ ]" 1 67 ILE 0.000 0.000 . 0 "[ ]" 1 68 LYS 0.000 0.000 . 0 "[ ]" 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 2 ASP H 1 2 ASP HB2 . . 4.400 3.447 3.447 3.447 . 0 0 "[ ]" 1 2 1 2 ASP H 1 3 VAL H . . 4.500 2.153 2.153 2.153 . 0 0 "[ ]" 1 3 1 2 ASP H 1 18 LYS HB3 . . 4.900 4.980 4.980 4.980 0.080 1 0 "[ ]" 1 4 1 2 ASP H 1 18 LYS QD . . 4.900 4.948 4.948 4.948 0.048 1 0 "[ ]" 1 5 1 2 ASP H 1 18 LYS QG . . 5.900 6.202 6.202 6.202 0.302 1 0 "[ ]" 1 6 1 2 ASP HA 1 3 VAL H . . 4.100 3.565 3.565 3.565 . 0 0 "[ ]" 1 7 1 2 ASP HA 1 17 HIS H . . 5.800 4.687 4.687 4.687 . 0 0 "[ ]" 1 8 1 2 ASP HA 1 17 HIS HB2 . . 4.500 4.544 4.544 4.544 0.044 1 0 "[ ]" 1 9 1 2 ASP HA 1 17 HIS HB3 . . 4.500 2.821 2.821 2.821 . 0 0 "[ ]" 1 10 1 2 ASP HA 1 18 LYS H . . 4.300 2.364 2.364 2.364 . 0 0 "[ ]" 1 11 1 2 ASP HA 1 18 LYS HA . . 5.700 3.587 3.587 3.587 . 0 0 "[ ]" 1 12 1 2 ASP HA 1 18 LYS HB2 . . 3.300 2.087 2.087 2.087 . 0 0 "[ ]" 1 13 1 2 ASP HA 1 18 LYS HB3 . . 3.400 2.776 2.776 2.776 . 0 0 "[ ]" 1 14 1 2 ASP HA 1 19 ALA H . . 6.100 4.765 4.765 4.765 . 0 0 "[ ]" 1 15 1 2 ASP HB2 1 3 VAL H . . 3.700 3.635 3.635 3.635 . 0 0 "[ ]" 1 16 1 2 ASP HB2 1 18 LYS H . . 4.800 3.678 3.678 3.678 . 0 0 "[ ]" 1 17 1 2 ASP HB2 1 18 LYS HB2 . . 3.400 2.420 2.420 2.420 . 0 0 "[ ]" 1 18 1 2 ASP HB2 1 18 LYS HB3 . . 3.600 2.203 2.203 2.203 . 0 0 "[ ]" 1 19 1 2 ASP HB2 1 18 LYS QD . . 3.300 2.245 2.245 2.245 . 0 0 "[ ]" 1 20 1 3 VAL H 1 3 VAL MG1 . . 4.500 2.203 2.203 2.203 . 0 0 "[ ]" 1 21 1 3 VAL H 1 4 VAL H . . 5.600 4.461 4.461 4.461 . 0 0 "[ ]" 1 22 1 3 VAL H 1 4 VAL MG2 . . 7.500 4.159 4.159 4.159 . 0 0 "[ ]" 1 23 1 3 VAL H 1 17 HIS HB2 . . 5.700 5.347 5.347 5.347 . 0 0 "[ ]" 1 24 1 3 VAL H 1 18 LYS H . . 6.500 4.656 4.656 4.656 . 0 0 "[ ]" 1 25 1 3 VAL HA 1 4 VAL H . . 2.800 2.188 2.188 2.188 . 0 0 "[ ]" 1 26 1 3 VAL HA 1 4 VAL HB . . 4.700 4.521 4.521 4.521 . 0 0 "[ ]" 1 27 1 3 VAL HA 1 4 VAL MG2 . . 6.500 3.810 3.810 3.810 . 0 0 "[ ]" 1 28 1 3 VAL HA 1 17 HIS H . . 3.800 2.435 2.435 2.435 . 0 0 "[ ]" 1 29 1 3 VAL HA 1 17 HIS HB2 . . 4.400 3.707 3.707 3.707 . 0 0 "[ ]" 1 30 1 3 VAL HA 1 18 LYS H . . 5.600 3.929 3.929 3.929 . 0 0 "[ ]" 1 31 1 3 VAL MG1 1 4 VAL H . . 6.600 3.957 3.957 3.957 . 0 0 "[ ]" 1 32 1 3 VAL MG2 1 14 THR HB . . 6.400 4.562 4.562 4.562 . 0 0 "[ ]" 1 33 1 4 VAL H 1 4 VAL HB . . 3.400 2.686 2.686 2.686 . 0 0 "[ ]" 1 34 1 4 VAL H 1 4 VAL MG1 . . 4.500 3.911 3.911 3.911 . 0 0 "[ ]" 1 35 1 4 VAL H 1 5 THR H . . 5.100 4.414 4.414 4.414 . 0 0 "[ ]" 1 36 1 4 VAL H 1 5 THR MG . . 7.500 5.452 5.452 5.452 . 0 0 "[ ]" 1 37 1 4 VAL H 1 6 TYR CZ . . 7.900 8.563 8.563 8.563 0.663 1 1 [+] 1 38 1 4 VAL H 1 6 TYR H . . 6.500 6.475 6.475 6.475 . 0 0 "[ ]" 1 39 1 4 VAL H 1 15 PHE CG . . 8.500 4.039 4.039 4.039 . 0 0 "[ ]" 1 40 1 4 VAL H 1 15 PHE H . . 5.100 2.999 2.999 2.999 . 0 0 "[ ]" 1 41 1 4 VAL H 1 15 PHE QB . . 4.800 4.648 4.648 4.648 . 0 0 "[ ]" 1 42 1 4 VAL H 1 17 HIS H . . 5.600 3.082 3.082 3.082 . 0 0 "[ ]" 1 43 1 4 VAL H 1 17 HIS HA . . 6.300 5.404 5.404 5.404 . 0 0 "[ ]" 1 44 1 4 VAL H 1 18 LYS H . . 6.500 5.526 5.526 5.526 . 0 0 "[ ]" 1 45 1 4 VAL HA 1 5 THR H . . 2.800 2.365 2.365 2.365 . 0 0 "[ ]" 1 46 1 4 VAL HA 1 6 TYR CZ . . 8.000 8.366 8.366 8.366 0.366 1 0 "[ ]" 1 47 1 4 VAL HB 1 5 THR H . . 4.500 3.758 3.758 3.758 . 0 0 "[ ]" 1 48 1 4 VAL HB 1 6 TYR CZ . . 6.800 6.251 6.251 6.251 . 0 0 "[ ]" 1 49 1 4 VAL HB 1 15 PHE CG . . 6.700 3.437 3.437 3.437 . 0 0 "[ ]" 1 50 1 4 VAL HB 1 15 PHE CZ . . 7.200 2.561 2.561 2.561 . 0 0 "[ ]" 1 51 1 4 VAL MG1 1 5 THR H . . 4.400 1.975 1.975 1.975 . 0 0 "[ ]" 1 52 1 4 VAL MG1 1 5 THR HA . . 6.600 3.002 3.002 3.002 . 0 0 "[ ]" 1 53 1 4 VAL MG1 1 5 THR HB . . 6.500 4.519 4.519 4.519 . 0 0 "[ ]" 1 54 1 4 VAL MG1 1 5 THR MG . . 4.500 3.755 3.755 3.755 . 0 0 "[ ]" 1 55 1 4 VAL MG1 1 6 TYR CG . . 8.700 4.606 4.606 4.606 . 0 0 "[ ]" 1 56 1 4 VAL MG1 1 6 TYR CZ . . 8.000 4.569 4.569 4.569 . 0 0 "[ ]" 1 57 1 4 VAL MG1 1 6 TYR H . . 6.600 3.750 3.750 3.750 . 0 0 "[ ]" 1 58 1 4 VAL MG1 1 7 GLU H . . 7.500 5.145 5.145 5.145 . 0 0 "[ ]" 1 59 1 4 VAL MG1 1 13 VAL H . . 7.500 6.512 6.512 6.512 . 0 0 "[ ]" 1 60 1 4 VAL MG1 1 15 PHE CG . . 9.500 4.266 4.266 4.266 . 0 0 "[ ]" 1 61 1 4 VAL MG1 1 15 PHE CZ . . 8.500 2.693 2.693 2.693 . 0 0 "[ ]" 1 62 1 4 VAL MG1 1 15 PHE H . . 6.100 4.626 4.626 4.626 . 0 0 "[ ]" 1 63 1 4 VAL MG2 1 5 THR H . . 5.900 3.760 3.760 3.760 . 0 0 "[ ]" 1 64 1 4 VAL MG2 1 5 THR HA . . 7.500 5.168 5.168 5.168 . 0 0 "[ ]" 1 65 1 4 VAL MG2 1 6 TYR CG . . 9.500 7.032 7.032 7.032 . 0 0 "[ ]" 1 66 1 4 VAL MG2 1 6 TYR CZ . . 9.400 6.362 6.362 6.362 . 0 0 "[ ]" 1 67 1 4 VAL MG2 1 6 TYR H . . 7.500 6.299 6.299 6.299 . 0 0 "[ ]" 1 68 1 4 VAL MG2 1 15 PHE CG . . 9.500 4.794 4.794 4.794 . 0 0 "[ ]" 1 69 1 4 VAL MG2 1 15 PHE CZ . . 9.500 3.623 3.623 3.623 . 0 0 "[ ]" 1 70 1 4 VAL MG2 1 15 PHE H . . 7.500 5.253 5.253 5.253 . 0 0 "[ ]" 1 71 1 4 VAL MG2 1 17 HIS H . . 7.500 4.176 4.176 4.176 . 0 0 "[ ]" 1 72 1 5 THR H 1 5 THR HB . . 3.400 3.417 3.417 3.417 0.017 1 0 "[ ]" 1 73 1 5 THR H 1 6 TYR CG . . 7.900 6.290 6.290 6.290 . 0 0 "[ ]" 1 74 1 5 THR H 1 6 TYR H . . 6.200 4.235 4.235 4.235 . 0 0 "[ ]" 1 75 1 5 THR H 1 7 GLU H . . 6.500 5.287 5.287 5.287 . 0 0 "[ ]" 1 76 1 5 THR H 1 15 PHE CZ . . 7.900 5.136 5.136 5.136 . 0 0 "[ ]" 1 77 1 5 THR H 1 15 PHE H . . 5.600 4.904 4.904 4.904 . 0 0 "[ ]" 1 78 1 5 THR HA 1 6 TYR H . . 3.400 2.122 2.122 2.122 . 0 0 "[ ]" 1 79 1 5 THR HA 1 12 ASN HB3 . . 6.300 5.174 5.174 5.174 . 0 0 "[ ]" 1 80 1 5 THR HA 1 13 VAL H . . 6.300 4.608 4.608 4.608 . 0 0 "[ ]" 1 81 1 5 THR HA 1 15 PHE H . . 3.900 3.195 3.195 3.195 . 0 0 "[ ]" 1 82 1 5 THR HA 1 15 PHE HZ . . 5.000 5.087 5.087 5.087 0.087 1 0 "[ ]" 1 83 1 5 THR HB 1 6 TYR H . . 4.600 4.012 4.012 4.012 . 0 0 "[ ]" 1 84 1 5 THR HB 1 7 GLU H . . 5.900 5.900 5.900 5.900 . 0 0 "[ ]" 1 85 1 5 THR HB 1 13 VAL H . . 6.300 4.992 4.992 4.992 . 0 0 "[ ]" 1 86 1 5 THR HB 1 15 PHE H . . 5.500 3.815 3.815 3.815 . 0 0 "[ ]" 1 87 1 5 THR MG 1 6 TYR CG . . 9.500 6.084 6.084 6.084 . 0 0 "[ ]" 1 88 1 5 THR MG 1 6 TYR CZ . . 9.500 7.662 7.662 7.662 . 0 0 "[ ]" 1 89 1 5 THR MG 1 6 TYR H . . 6.000 3.928 3.928 3.928 . 0 0 "[ ]" 1 90 1 5 THR MG 1 6 TYR HA . . 6.000 4.247 4.247 4.247 . 0 0 "[ ]" 1 91 1 5 THR MG 1 7 GLU H . . 6.300 3.401 3.401 3.401 . 0 0 "[ ]" 1 92 1 5 THR MG 1 7 GLU HA . . 6.800 3.790 3.790 3.790 . 0 0 "[ ]" 1 93 1 5 THR MG 1 8 ASN H . . 7.500 5.279 5.279 5.279 . 0 0 "[ ]" 1 94 1 5 THR MG 1 12 ASN HA . . 7.500 4.815 4.815 4.815 . 0 0 "[ ]" 1 95 1 5 THR MG 1 12 ASN HB2 . . 4.900 3.845 3.845 3.845 . 0 0 "[ ]" 1 96 1 5 THR MG 1 12 ASN HB3 . . 4.800 2.950 2.950 2.950 . 0 0 "[ ]" 1 97 1 5 THR MG 1 12 ASN QD . . 5.400 4.848 4.848 4.848 . 0 0 "[ ]" 1 98 1 5 THR MG 1 13 VAL H . . 7.500 4.560 4.560 4.560 . 0 0 "[ ]" 1 99 1 5 THR MG 1 13 VAL HA . . 7.200 6.000 6.000 6.000 . 0 0 "[ ]" 1 100 1 6 TYR CG 1 7 GLU H . . 6.500 4.895 4.895 4.895 . 0 0 "[ ]" 1 101 1 6 TYR CG 1 7 GLU QG . . 9.100 6.155 6.155 6.155 . 0 0 "[ ]" 1 102 1 6 TYR CG 1 8 ASN H . . 8.500 5.796 5.796 5.796 . 0 0 "[ ]" 1 103 1 6 TYR CG 1 13 VAL H . . 6.700 5.225 5.225 5.225 . 0 0 "[ ]" 1 104 1 6 TYR CG 1 13 VAL HA . . 8.500 6.956 6.956 6.956 . 0 0 "[ ]" 1 105 1 6 TYR CG 1 13 VAL HB . . 5.900 4.133 4.133 4.133 . 0 0 "[ ]" 1 106 1 6 TYR CG 1 13 VAL MG1 . . 8.300 4.386 4.386 4.386 . 0 0 "[ ]" 1 107 1 6 TYR CG 1 13 VAL MG2 . . 9.500 5.225 5.225 5.225 . 0 0 "[ ]" 1 108 1 6 TYR CG 1 15 PHE CG . . 10.500 6.253 6.253 6.253 . 0 0 "[ ]" 1 109 1 6 TYR CG 1 15 PHE CZ . . 9.400 5.033 5.033 5.033 . 0 0 "[ ]" 1 110 1 6 TYR CG 1 15 PHE H . . 7.300 7.391 7.391 7.391 0.091 1 0 "[ ]" 1 111 1 6 TYR CG 1 15 PHE QB . . 6.800 6.421 6.421 6.421 . 0 0 "[ ]" 1 112 1 6 TYR CG 1 15 PHE HZ . . 7.700 4.898 4.898 4.898 . 0 0 "[ ]" 1 113 1 6 TYR CG 1 39 ILE HB . . 7.200 5.293 5.293 5.293 . 0 0 "[ ]" 1 114 1 6 TYR CG 1 39 ILE MG . . 9.200 5.169 5.169 5.169 . 0 0 "[ ]" 1 115 1 6 TYR CZ 1 6 TYR H . . 7.400 5.259 5.259 5.259 . 0 0 "[ ]" 1 116 1 6 TYR CZ 1 7 GLU H . . 8.500 7.183 7.183 7.183 . 0 0 "[ ]" 1 117 1 6 TYR CZ 1 13 VAL MG1 . . 9.500 5.559 5.559 5.559 . 0 0 "[ ]" 1 118 1 6 TYR CZ 1 13 VAL MG2 . . 9.500 6.992 6.992 6.992 . 0 0 "[ ]" 1 119 1 6 TYR CZ 1 15 PHE CG . . 9.600 5.873 5.873 5.873 . 0 0 "[ ]" 1 120 1 6 TYR CZ 1 15 PHE CZ . . 8.200 3.955 3.955 3.955 . 0 0 "[ ]" 1 121 1 6 TYR CZ 1 15 PHE H . . 7.000 8.073 8.073 8.073 1.073 1 1 [+] 1 122 1 6 TYR CZ 1 15 PHE QB . . 6.100 6.342 6.342 6.342 0.242 1 0 "[ ]" 1 123 1 6 TYR CZ 1 15 PHE HZ . . 6.500 3.529 3.529 3.529 . 0 0 "[ ]" 1 124 1 6 TYR CZ 1 39 ILE H . . 7.200 2.794 2.794 2.794 . 0 0 "[ ]" 1 125 1 6 TYR CZ 1 39 ILE HB . . 5.900 3.228 3.228 3.228 . 0 0 "[ ]" 1 126 1 6 TYR CZ 1 39 ILE QG . . 7.000 4.607 4.607 4.607 . 0 0 "[ ]" 1 127 1 6 TYR CZ 1 39 ILE MG . . 8.700 4.231 4.231 4.231 . 0 0 "[ ]" 1 128 1 6 TYR H 1 7 GLU H . . 5.400 4.237 4.237 4.237 . 0 0 "[ ]" 1 129 1 6 TYR H 1 7 GLU HA . . 6.500 5.099 5.099 5.099 . 0 0 "[ ]" 1 130 1 6 TYR H 1 8 ASN H . . 6.500 5.176 5.176 5.176 . 0 0 "[ ]" 1 131 1 6 TYR H 1 12 ASN HA . . 5.200 5.177 5.177 5.177 . 0 0 "[ ]" 1 132 1 6 TYR H 1 12 ASN HB3 . . 5.700 4.813 4.813 4.813 . 0 0 "[ ]" 1 133 1 6 TYR H 1 12 ASN QD . . 6.500 6.497 6.497 6.497 . 0 0 "[ ]" 1 134 1 6 TYR H 1 13 VAL H . . 5.400 3.295 3.295 3.295 . 0 0 "[ ]" 1 135 1 6 TYR H 1 13 VAL HB . . 4.300 3.187 3.187 3.187 . 0 0 "[ ]" 1 136 1 6 TYR H 1 14 THR HA . . 4.800 4.116 4.116 4.116 . 0 0 "[ ]" 1 137 1 6 TYR HA 1 7 GLU H . . 4.700 2.251 2.251 2.251 . 0 0 "[ ]" 1 138 1 6 TYR HA 1 7 GLU HA . . 6.500 4.502 4.502 4.502 . 0 0 "[ ]" 1 139 1 6 TYR HA 1 13 VAL H . . 5.700 4.762 4.762 4.762 . 0 0 "[ ]" 1 140 1 6 TYR HA 1 13 VAL MG1 . . 5.400 5.627 5.627 5.627 0.227 1 0 "[ ]" 1 141 1 6 TYR HB2 1 7 GLU H . . 5.300 4.513 4.513 4.513 . 0 0 "[ ]" 1 142 1 6 TYR HB2 1 8 ASN HD21 . . 6.100 2.978 2.978 2.978 . 0 0 "[ ]" 1 143 1 6 TYR HB2 1 13 VAL H . . 4.800 3.210 3.210 3.210 . 0 0 "[ ]" 1 144 1 6 TYR HB2 1 13 VAL HB . . 4.300 2.252 2.252 2.252 . 0 0 "[ ]" 1 145 1 6 TYR HB3 1 7 GLU H . . 5.400 3.880 3.880 3.880 . 0 0 "[ ]" 1 146 1 6 TYR HB3 1 8 ASN H . . 6.500 3.905 3.905 3.905 . 0 0 "[ ]" 1 147 1 6 TYR HB3 1 8 ASN HD21 . . 5.600 3.341 3.341 3.341 . 0 0 "[ ]" 1 148 1 6 TYR HB3 1 8 ASN HD22 . . 6.500 5.047 5.047 5.047 . 0 0 "[ ]" 1 149 1 6 TYR HB3 1 13 VAL H . . 5.100 4.309 4.309 4.309 . 0 0 "[ ]" 1 150 1 6 TYR HB3 1 13 VAL HB . . 3.900 3.863 3.863 3.863 . 0 0 "[ ]" 1 151 1 6 TYR HB3 1 13 VAL MG1 . . 5.400 4.894 4.894 4.894 . 0 0 "[ ]" 1 152 1 6 TYR HB3 1 13 VAL MG2 . . 5.100 4.697 4.697 4.697 . 0 0 "[ ]" 1 153 1 7 GLU H 1 7 GLU HB2 . . 3.400 3.593 3.593 3.593 0.193 1 0 "[ ]" 1 154 1 7 GLU H 1 7 GLU HB3 . . 3.900 2.982 2.982 2.982 . 0 0 "[ ]" 1 155 1 7 GLU H 1 8 ASN H . . 6.100 3.786 3.786 3.786 . 0 0 "[ ]" 1 156 1 7 GLU H 1 12 ASN HA . . 5.900 5.026 5.026 5.026 . 0 0 "[ ]" 1 157 1 7 GLU H 1 12 ASN QD . . 6.200 4.979 4.979 4.979 . 0 0 "[ ]" 1 158 1 7 GLU H 1 13 VAL H . . 6.500 4.861 4.861 4.861 . 0 0 "[ ]" 1 159 1 7 GLU H 1 13 VAL MG2 . . 7.500 6.622 6.622 6.622 . 0 0 "[ ]" 1 160 1 7 GLU HA 1 8 ASN H . . 3.200 2.141 2.141 2.141 . 0 0 "[ ]" 1 161 1 7 GLU HA 1 8 ASN HD21 . . 5.800 3.682 3.682 3.682 . 0 0 "[ ]" 1 162 1 7 GLU HA 1 12 ASN H . . 6.500 4.571 4.571 4.571 . 0 0 "[ ]" 1 163 1 7 GLU HA 1 12 ASN HB2 . . 5.500 4.049 4.049 4.049 . 0 0 "[ ]" 1 164 1 7 GLU HA 1 12 ASN HB3 . . 4.400 2.640 2.640 2.640 . 0 0 "[ ]" 1 165 1 7 GLU HA 1 12 ASN QD . . 5.200 2.452 2.452 2.452 . 0 0 "[ ]" 1 166 1 7 GLU HB2 1 8 ASN H . . 3.800 4.006 4.006 4.006 0.206 1 0 "[ ]" 1 167 1 7 GLU HB2 1 12 ASN HA . . 4.700 4.886 4.886 4.886 0.186 1 0 "[ ]" 1 168 1 7 GLU HB2 1 12 ASN QD . . 4.300 2.977 2.977 2.977 . 0 0 "[ ]" 1 169 1 7 GLU HB3 1 8 ASN H . . 4.400 4.318 4.318 4.318 . 0 0 "[ ]" 1 170 1 7 GLU HB3 1 12 ASN HA . . 5.000 4.659 4.659 4.659 . 0 0 "[ ]" 1 171 1 7 GLU HB3 1 12 ASN QD . . 5.200 3.496 3.496 3.496 . 0 0 "[ ]" 1 172 1 7 GLU QG 1 8 ASN H . . 6.100 4.415 4.415 4.415 . 0 0 "[ ]" 1 173 1 7 GLU QG 1 12 ASN QD . . 7.100 4.633 4.633 4.633 . 0 0 "[ ]" 1 174 1 8 ASN H 1 8 ASN HD21 . . 5.400 2.009 2.009 2.009 . 0 0 "[ ]" 1 175 1 8 ASN H 1 8 ASN HD22 . . 6.500 3.055 3.055 3.055 . 0 0 "[ ]" 1 176 1 8 ASN H 1 9 LYS H . . 6.500 4.606 4.606 4.606 . 0 0 "[ ]" 1 177 1 8 ASN H 1 9 LYS HA . . 5.400 5.437 5.437 5.437 0.037 1 0 "[ ]" 1 178 1 8 ASN H 1 11 GLY H . . 5.700 4.511 4.511 4.511 . 0 0 "[ ]" 1 179 1 8 ASN H 1 12 ASN H . . 6.300 4.785 4.785 4.785 . 0 0 "[ ]" 1 180 1 8 ASN H 1 12 ASN HA . . 3.700 2.377 2.377 2.377 . 0 0 "[ ]" 1 181 1 8 ASN H 1 12 ASN HB2 . . 6.200 5.108 5.108 5.108 . 0 0 "[ ]" 1 182 1 8 ASN H 1 12 ASN HB3 . . 5.900 3.946 3.946 3.946 . 0 0 "[ ]" 1 183 1 8 ASN H 1 12 ASN QD . . 5.800 2.728 2.728 2.728 . 0 0 "[ ]" 1 184 1 8 ASN H 1 13 VAL H . . 5.000 3.230 3.230 3.230 . 0 0 "[ ]" 1 185 1 8 ASN H 1 13 VAL MG2 . . 7.500 4.484 4.484 4.484 . 0 0 "[ ]" 1 186 1 8 ASN HA 1 9 LYS H . . 3.500 2.519 2.519 2.519 . 0 0 "[ ]" 1 187 1 8 ASN HA 1 9 LYS HA . . 6.100 4.152 4.152 4.152 . 0 0 "[ ]" 1 188 1 8 ASN HA 1 9 LYS HB2 . . 5.700 4.388 4.388 4.388 . 0 0 "[ ]" 1 189 1 8 ASN HA 1 9 LYS HB3 . . 5.600 5.064 5.064 5.064 . 0 0 "[ ]" 1 190 1 8 ASN HA 1 10 LYS H . . 5.000 4.752 4.752 4.752 . 0 0 "[ ]" 1 191 1 8 ASN HA 1 11 GLY H . . 6.500 5.406 5.406 5.406 . 0 0 "[ ]" 1 192 1 8 ASN HB2 1 9 LYS H . . 4.200 2.401 2.401 2.401 . 0 0 "[ ]" 1 193 1 8 ASN HB2 1 66 HIS HD1 . . 4.400 4.795 4.795 4.795 0.395 1 0 "[ ]" 1 194 1 8 ASN HB3 1 9 LYS H . . 4.000 3.838 3.838 3.838 . 0 0 "[ ]" 1 195 1 8 ASN HB3 1 10 LYS H . . 5.100 5.064 5.064 5.064 . 0 0 "[ ]" 1 196 1 8 ASN HB3 1 10 LYS QB . . 7.500 5.489 5.489 5.489 . 0 0 "[ ]" 1 197 1 8 ASN HB3 1 11 GLY H . . 6.500 5.228 5.228 5.228 . 0 0 "[ ]" 1 198 1 8 ASN HD21 1 9 LYS H . . 5.700 5.298 5.298 5.298 . 0 0 "[ ]" 1 199 1 8 ASN HD21 1 12 ASN HA . . 4.100 2.595 2.595 2.595 . 0 0 "[ ]" 1 200 1 8 ASN HD21 1 13 VAL MG2 . . 6.500 2.852 2.852 2.852 . 0 0 "[ ]" 1 201 1 8 ASN HD21 1 66 HIS HD1 . . 4.900 3.798 3.798 3.798 . 0 0 "[ ]" 1 202 1 8 ASN HD22 1 9 LYS H . . 6.400 5.535 5.535 5.535 . 0 0 "[ ]" 1 203 1 8 ASN HD22 1 11 GLY H . . 5.300 3.267 3.267 3.267 . 0 0 "[ ]" 1 204 1 8 ASN HD22 1 12 ASN HA . . 4.000 2.388 2.388 2.388 . 0 0 "[ ]" 1 205 1 8 ASN HD22 1 13 VAL H . . 5.100 2.540 2.540 2.540 . 0 0 "[ ]" 1 206 1 8 ASN HD22 1 13 VAL HB . . 6.500 3.423 3.423 3.423 . 0 0 "[ ]" 1 207 1 8 ASN HD22 1 13 VAL MG2 . . 5.900 1.999 1.999 1.999 . 0 0 "[ ]" 1 208 1 8 ASN HD22 1 66 HIS HD1 . . 3.900 2.202 2.202 2.202 . 0 0 "[ ]" 1 209 1 8 ASN HD22 1 66 HIS HE1 . . 4.900 3.634 3.634 3.634 . 0 0 "[ ]" 1 210 1 9 LYS H 1 9 LYS HB2 . . 3.900 2.333 2.333 2.333 . 0 0 "[ ]" 1 211 1 9 LYS H 1 9 LYS HB3 . . 3.500 2.566 2.566 2.566 . 0 0 "[ ]" 1 212 1 9 LYS H 1 9 LYS QD . . 5.700 4.461 4.461 4.461 . 0 0 "[ ]" 1 213 1 9 LYS H 1 9 LYS HE2 . . 6.500 4.967 4.967 4.967 . 0 0 "[ ]" 1 214 1 9 LYS H 1 9 LYS QE . . 7.000 3.752 3.752 3.752 . 0 0 "[ ]" 1 215 1 9 LYS H 1 9 LYS HE3 . . 4.200 3.883 3.883 3.883 . 0 0 "[ ]" 1 216 1 9 LYS H 1 9 LYS QG . . 5.100 4.020 4.020 4.020 . 0 0 "[ ]" 1 217 1 9 LYS H 1 10 LYS H . . 4.300 2.726 2.726 2.726 . 0 0 "[ ]" 1 218 1 9 LYS H 1 10 LYS QB . . 7.500 4.847 4.847 4.847 . 0 0 "[ ]" 1 219 1 9 LYS H 1 11 GLY H . . 5.000 4.563 4.563 4.563 . 0 0 "[ ]" 1 220 1 9 LYS HA 1 9 LYS HE2 . . 5.200 2.467 2.467 2.467 . 0 0 "[ ]" 1 221 1 9 LYS HA 1 9 LYS HE3 . . 5.200 2.234 2.234 2.234 . 0 0 "[ ]" 1 222 1 9 LYS HA 1 10 LYS H . . 4.800 3.523 3.523 3.523 . 0 0 "[ ]" 1 223 1 9 LYS HA 1 11 GLY H . . 5.400 4.562 4.562 4.562 . 0 0 "[ ]" 1 224 1 9 LYS HB2 1 10 LYS H . . 4.600 3.726 3.726 3.726 . 0 0 "[ ]" 1 225 1 9 LYS HB2 1 11 GLY H . . 6.500 6.008 6.008 6.008 . 0 0 "[ ]" 1 226 1 9 LYS HB3 1 9 LYS HE2 . . 4.400 4.394 4.394 4.394 . 0 0 "[ ]" 1 227 1 9 LYS HB3 1 9 LYS QE . . 4.800 3.643 3.643 3.643 . 0 0 "[ ]" 1 228 1 9 LYS HB3 1 9 LYS HE3 . . 5.300 3.889 3.889 3.889 . 0 0 "[ ]" 1 229 1 9 LYS HB3 1 10 LYS H . . 3.700 2.453 2.453 2.453 . 0 0 "[ ]" 1 230 1 9 LYS QD 1 10 LYS H . . 5.800 5.251 5.251 5.251 . 0 0 "[ ]" 1 231 1 9 LYS QG 1 10 LYS QG . . 7.500 4.535 4.535 4.535 . 0 0 "[ ]" 1 232 1 10 LYS H 1 10 LYS HE2 . . 6.000 4.469 4.469 4.469 . 0 0 "[ ]" 1 233 1 10 LYS H 1 10 LYS QG . . 5.000 2.163 2.163 2.163 . 0 0 "[ ]" 1 234 1 10 LYS H 1 11 GLY H . . 3.600 2.879 2.879 2.879 . 0 0 "[ ]" 1 235 1 10 LYS H 1 66 HIS HD1 . . 5.700 4.431 4.431 4.431 . 0 0 "[ ]" 1 236 1 10 LYS HA 1 10 LYS HE2 . . 4.000 2.233 2.233 2.233 . 0 0 "[ ]" 1 237 1 10 LYS HA 1 10 LYS HE3 . . 3.700 2.447 2.447 2.447 . 0 0 "[ ]" 1 238 1 10 LYS HA 1 11 GLY H . . 4.900 3.515 3.515 3.515 . 0 0 "[ ]" 1 239 1 10 LYS QB 1 10 LYS HE3 . . 4.400 3.362 3.362 3.362 . 0 0 "[ ]" 1 240 1 10 LYS QB 1 11 GLY H . . 6.100 2.127 2.127 2.127 . 0 0 "[ ]" 1 241 1 10 LYS QB 1 66 HIS HB2 . . 7.200 4.027 4.027 4.027 . 0 0 "[ ]" 1 242 1 10 LYS QB 1 66 HIS HD1 . . 5.700 2.317 2.317 2.317 . 0 0 "[ ]" 1 243 1 10 LYS QB 1 66 HIS HE1 . . 5.600 3.291 3.291 3.291 . 0 0 "[ ]" 1 244 1 10 LYS HE3 1 10 LYS QG . . 3.600 2.591 2.591 2.591 . 0 0 "[ ]" 1 245 1 10 LYS QG 1 11 GLY H . . 5.300 3.734 3.734 3.734 . 0 0 "[ ]" 1 246 1 10 LYS QG 1 11 GLY HA3 . . 5.700 5.204 5.204 5.204 . 0 0 "[ ]" 1 247 1 10 LYS QG 1 12 ASN QD . . 6.300 6.413 6.413 6.413 0.113 1 0 "[ ]" 1 248 1 10 LYS QG 1 41 LYS HB3 . . 5.500 5.882 5.882 5.882 0.382 1 0 "[ ]" 1 249 1 10 LYS QG 1 66 HIS HA . . 5.800 5.990 5.990 5.990 0.190 1 0 "[ ]" 1 250 1 10 LYS QG 1 66 HIS HB2 . . 5.000 5.201 5.201 5.201 0.201 1 0 "[ ]" 1 251 1 10 LYS QG 1 66 HIS HB3 . . 4.600 4.660 4.660 4.660 0.060 1 0 "[ ]" 1 252 1 10 LYS QG 1 66 HIS HD1 . . 5.000 3.495 3.495 3.495 . 0 0 "[ ]" 1 253 1 10 LYS QG 1 66 HIS HE1 . . 3.900 2.888 2.888 2.888 . 0 0 "[ ]" 1 254 1 11 GLY H 1 12 ASN H . . 4.800 3.797 3.797 3.797 . 0 0 "[ ]" 1 255 1 11 GLY H 1 12 ASN HA . . 6.500 3.960 3.960 3.960 . 0 0 "[ ]" 1 256 1 11 GLY H 1 13 VAL H . . 5.800 5.471 5.471 5.471 . 0 0 "[ ]" 1 257 1 11 GLY H 1 13 VAL MG2 . . 7.500 4.496 4.496 4.496 . 0 0 "[ ]" 1 258 1 11 GLY H 1 66 HIS HA . . 6.500 4.954 4.954 4.954 . 0 0 "[ ]" 1 259 1 11 GLY H 1 66 HIS HB2 . . 6.500 5.624 5.624 5.624 . 0 0 "[ ]" 1 260 1 11 GLY H 1 66 HIS HD1 . . 4.100 2.857 2.857 2.857 . 0 0 "[ ]" 1 261 1 11 GLY H 1 66 HIS HE1 . . 5.100 4.645 4.645 4.645 . 0 0 "[ ]" 1 262 1 11 GLY H 1 67 ILE H . . 6.500 5.778 5.778 5.778 . 0 0 "[ ]" 1 263 1 11 GLY HA2 1 12 ASN H . . 3.600 2.173 2.173 2.173 . 0 0 "[ ]" 1 264 1 11 GLY HA2 1 12 ASN HB3 . . 6.500 5.685 5.685 5.685 . 0 0 "[ ]" 1 265 1 11 GLY HA2 1 66 HIS HA . . 6.100 5.182 5.182 5.182 . 0 0 "[ ]" 1 266 1 11 GLY HA2 1 67 ILE H . . 6.200 4.817 4.817 4.817 . 0 0 "[ ]" 1 267 1 11 GLY HA2 1 68 LYS H . . 5.900 5.587 5.587 5.587 . 0 0 "[ ]" 1 268 1 11 GLY HA2 1 68 LYS QG . . 7.500 3.938 3.938 3.938 . 0 0 "[ ]" 1 269 1 11 GLY HA3 1 12 ASN H . . 3.600 3.235 3.235 3.235 . 0 0 "[ ]" 1 270 1 11 GLY HA3 1 12 ASN HB2 . . 6.500 5.565 5.565 5.565 . 0 0 "[ ]" 1 271 1 11 GLY HA3 1 12 ASN HB3 . . 6.500 6.477 6.477 6.477 . 0 0 "[ ]" 1 272 1 11 GLY HA3 1 66 HIS HA . . 6.100 4.018 4.018 4.018 . 0 0 "[ ]" 1 273 1 11 GLY HA3 1 67 ILE H . . 6.500 4.075 4.075 4.075 . 0 0 "[ ]" 1 274 1 11 GLY HA3 1 67 ILE HB . . 5.500 5.101 5.101 5.101 . 0 0 "[ ]" 1 275 1 11 GLY HA3 1 67 ILE MG . . 7.500 5.670 5.670 5.670 . 0 0 "[ ]" 1 276 1 11 GLY HA3 1 68 LYS QG . . 6.200 3.288 3.288 3.288 . 0 0 "[ ]" 1 277 1 12 ASN H 1 12 ASN HB2 . . 3.700 2.601 2.601 2.601 . 0 0 "[ ]" 1 278 1 12 ASN H 1 12 ASN HB3 . . 4.200 3.582 3.582 3.582 . 0 0 "[ ]" 1 279 1 12 ASN H 1 13 VAL H . . 5.700 4.644 4.644 4.644 . 0 0 "[ ]" 1 280 1 12 ASN H 1 13 VAL MG2 . . 7.500 5.160 5.160 5.160 . 0 0 "[ ]" 1 281 1 12 ASN H 1 67 ILE H . . 6.500 4.050 4.050 4.050 . 0 0 "[ ]" 1 282 1 12 ASN H 1 67 ILE HB . . 6.500 4.133 4.133 4.133 . 0 0 "[ ]" 1 283 1 12 ASN HA 1 13 VAL H . . 3.700 2.226 2.226 2.226 . 0 0 "[ ]" 1 284 1 12 ASN HA 1 13 VAL HA . . 5.300 4.422 4.422 4.422 . 0 0 "[ ]" 1 285 1 12 ASN HA 1 13 VAL MG1 . . 7.500 5.464 5.464 5.464 . 0 0 "[ ]" 1 286 1 12 ASN HA 1 13 VAL MG2 . . 7.500 3.773 3.773 3.773 . 0 0 "[ ]" 1 287 1 12 ASN HB2 1 13 VAL H . . 4.200 4.049 4.049 4.049 . 0 0 "[ ]" 1 288 1 12 ASN HB3 1 13 VAL H . . 4.200 3.079 3.079 3.079 . 0 0 "[ ]" 1 289 1 12 ASN QD 1 13 VAL H . . 4.700 4.160 4.160 4.160 . 0 0 "[ ]" 1 290 1 13 VAL H 1 13 VAL HB . . 4.300 2.415 2.415 2.415 . 0 0 "[ ]" 1 291 1 13 VAL H 1 14 THR H . . 4.900 4.155 4.155 4.155 . 0 0 "[ ]" 1 292 1 13 VAL H 1 66 HIS HD1 . . 6.200 4.522 4.522 4.522 . 0 0 "[ ]" 1 293 1 13 VAL HA 1 14 THR H . . 3.300 2.191 2.191 2.191 . 0 0 "[ ]" 1 294 1 13 VAL HA 1 14 THR HB . . 5.100 4.584 4.584 4.584 . 0 0 "[ ]" 1 295 1 13 VAL HA 1 67 ILE H . . 6.500 3.322 3.322 3.322 . 0 0 "[ ]" 1 296 1 13 VAL HA 1 67 ILE QG . . 6.900 3.565 3.565 3.565 . 0 0 "[ ]" 1 297 1 13 VAL HB 1 14 THR H . . 5.500 4.567 4.567 4.567 . 0 0 "[ ]" 1 298 1 13 VAL MG1 1 14 THR H . . 5.600 3.239 3.239 3.239 . 0 0 "[ ]" 1 299 1 13 VAL MG1 1 65 CYS H . . 7.500 5.088 5.088 5.088 . 0 0 "[ ]" 1 300 1 13 VAL MG1 1 65 CYS HA . . 7.500 3.434 3.434 3.434 . 0 0 "[ ]" 1 301 1 13 VAL MG1 1 66 HIS H . . 7.500 4.375 4.375 4.375 . 0 0 "[ ]" 1 302 1 13 VAL MG1 1 66 HIS HA . . 7.500 4.184 4.184 4.184 . 0 0 "[ ]" 1 303 1 13 VAL MG2 1 14 THR H . . 7.000 4.079 4.079 4.079 . 0 0 "[ ]" 1 304 1 13 VAL MG2 1 65 CYS H . . 7.500 4.521 4.521 4.521 . 0 0 "[ ]" 1 305 1 13 VAL MG2 1 65 CYS HB2 . . 6.400 2.673 2.673 2.673 . 0 0 "[ ]" 1 306 1 13 VAL MG2 1 66 HIS H . . 7.500 3.001 3.001 3.001 . 0 0 "[ ]" 1 307 1 13 VAL MG2 1 66 HIS HA . . 5.500 2.381 2.381 2.381 . 0 0 "[ ]" 1 308 1 13 VAL MG2 1 66 HIS HD1 . . 5.400 2.337 2.337 2.337 . 0 0 "[ ]" 1 309 1 13 VAL MG2 1 66 HIS HE1 . . 5.300 2.823 2.823 2.823 . 0 0 "[ ]" 1 310 1 13 VAL MG2 1 67 ILE H . . 7.500 4.012 4.012 4.012 . 0 0 "[ ]" 1 311 1 14 THR H 1 14 THR HB . . 3.600 2.503 2.503 2.503 . 0 0 "[ ]" 1 312 1 14 THR H 1 15 PHE CZ . . 8.500 8.434 8.434 8.434 . 0 0 "[ ]" 1 313 1 14 THR H 1 15 PHE H . . 4.700 4.625 4.625 4.625 . 0 0 "[ ]" 1 314 1 14 THR H 1 66 HIS HA . . 6.500 4.326 4.326 4.326 . 0 0 "[ ]" 1 315 1 14 THR H 1 67 ILE H . . 6.500 3.799 3.799 3.799 . 0 0 "[ ]" 1 316 1 14 THR H 1 67 ILE MD . . 7.500 3.421 3.421 3.421 . 0 0 "[ ]" 1 317 1 14 THR H 1 67 ILE MG . . 7.500 5.416 5.416 5.416 . 0 0 "[ ]" 1 318 1 14 THR HA 1 15 PHE CG . . 8.500 4.991 4.991 4.991 . 0 0 "[ ]" 1 319 1 14 THR HA 1 15 PHE H . . 3.300 2.243 2.243 2.243 . 0 0 "[ ]" 1 320 1 14 THR HB 1 15 PHE H . . 4.800 4.027 4.027 4.027 . 0 0 "[ ]" 1 321 1 14 THR HB 1 67 ILE H . . 6.500 5.545 5.545 5.545 . 0 0 "[ ]" 1 322 1 14 THR MG 1 15 PHE H . . 5.100 2.529 2.529 2.529 . 0 0 "[ ]" 1 323 1 15 PHE CG 1 16 ASP H . . 7.600 4.851 4.851 4.851 . 0 0 "[ ]" 1 324 1 15 PHE CZ 1 15 PHE H . . 7.500 5.134 5.134 5.134 . 0 0 "[ ]" 1 325 1 15 PHE CZ 1 37 ILE H . . 8.200 7.279 7.279 7.279 . 0 0 "[ ]" 1 326 1 15 PHE CZ 1 37 ILE HB . . 8.100 6.846 6.846 6.846 . 0 0 "[ ]" 1 327 1 15 PHE CZ 1 37 ILE HG13 . . 8.200 7.096 7.096 7.096 . 0 0 "[ ]" 1 328 1 15 PHE CZ 1 38 ALA HA . . 8.200 6.736 6.736 6.736 . 0 0 "[ ]" 1 329 1 15 PHE CZ 1 39 ILE HB . . 6.500 5.430 5.430 5.430 . 0 0 "[ ]" 1 330 1 15 PHE CZ 1 39 ILE MD . . 9.500 7.442 7.442 7.442 . 0 0 "[ ]" 1 331 1 15 PHE CZ 1 39 ILE QG . . 6.800 5.963 5.963 5.963 . 0 0 "[ ]" 1 332 1 15 PHE CZ 1 39 ILE MG . . 9.500 6.106 6.106 6.106 . 0 0 "[ ]" 1 333 1 15 PHE H 1 16 ASP H . . 5.200 3.825 3.825 3.825 . 0 0 "[ ]" 1 334 1 15 PHE QB 1 16 ASP H . . 5.100 3.493 3.493 3.493 . 0 0 "[ ]" 1 335 1 15 PHE HZ 1 37 ILE H . . 6.400 6.489 6.489 6.489 0.089 1 0 "[ ]" 1 336 1 15 PHE HZ 1 39 ILE MG . . 7.500 6.250 6.250 6.250 . 0 0 "[ ]" 1 337 1 16 ASP H 1 17 HIS H . . 5.700 3.824 3.824 3.824 . 0 0 "[ ]" 1 338 1 16 ASP HB2 1 17 HIS H . . 5.700 4.443 4.443 4.443 . 0 0 "[ ]" 1 339 1 16 ASP HB2 1 19 ALA MB . . 5.600 2.163 2.163 2.163 . 0 0 "[ ]" 1 340 1 16 ASP HB3 1 17 HIS H . . 5.200 4.263 4.263 4.263 . 0 0 "[ ]" 1 341 1 16 ASP HB3 1 19 ALA H . . 5.900 2.862 2.862 2.862 . 0 0 "[ ]" 1 342 1 16 ASP HB3 1 19 ALA MB . . 4.900 2.112 2.112 2.112 . 0 0 "[ ]" 1 343 1 16 ASP HB3 1 20 HIS H . . 5.800 4.116 4.116 4.116 . 0 0 "[ ]" 1 344 1 17 HIS H 1 17 HIS HB2 . . 3.700 2.250 2.250 2.250 . 0 0 "[ ]" 1 345 1 17 HIS H 1 17 HIS HB3 . . 3.800 2.572 2.572 2.572 . 0 0 "[ ]" 1 346 1 17 HIS H 1 18 LYS H . . 4.600 3.077 3.077 3.077 . 0 0 "[ ]" 1 347 1 17 HIS H 1 18 LYS HA . . 6.500 5.676 5.676 5.676 . 0 0 "[ ]" 1 348 1 17 HIS H 1 19 ALA H . . 5.900 4.351 4.351 4.351 . 0 0 "[ ]" 1 349 1 17 HIS H 1 19 ALA MB . . 6.100 4.813 4.813 4.813 . 0 0 "[ ]" 1 350 1 17 HIS H 1 20 HIS H . . 6.500 4.838 4.838 4.838 . 0 0 "[ ]" 1 351 1 17 HIS HA 1 18 LYS H . . 5.700 3.546 3.546 3.546 . 0 0 "[ ]" 1 352 1 17 HIS HB2 1 18 LYS H . . 4.500 3.567 3.567 3.567 . 0 0 "[ ]" 1 353 1 17 HIS HB3 1 18 LYS H . . 5.300 2.133 2.133 2.133 . 0 0 "[ ]" 1 354 1 18 LYS H 1 18 LYS HB2 . . 3.500 2.696 2.696 2.696 . 0 0 "[ ]" 1 355 1 18 LYS H 1 18 LYS HB3 . . 3.900 2.274 2.274 2.274 . 0 0 "[ ]" 1 356 1 18 LYS H 1 18 LYS QD . . 5.100 4.412 4.412 4.412 . 0 0 "[ ]" 1 357 1 18 LYS H 1 18 LYS QG . . 4.800 3.838 3.838 3.838 . 0 0 "[ ]" 1 358 1 18 LYS H 1 19 ALA H . . 3.900 2.871 2.871 2.871 . 0 0 "[ ]" 1 359 1 18 LYS H 1 19 ALA MB . . 5.500 4.503 4.503 4.503 . 0 0 "[ ]" 1 360 1 18 LYS H 1 21 ALA MB . . 5.200 4.355 4.355 4.355 . 0 0 "[ ]" 1 361 1 18 LYS HA 1 18 LYS QD . . 3.500 3.943 3.943 3.943 0.443 1 0 "[ ]" 1 362 1 18 LYS HA 1 18 LYS QG . . 3.000 2.497 2.497 2.497 . 0 0 "[ ]" 1 363 1 18 LYS HA 1 19 ALA H . . 4.500 3.606 3.606 3.606 . 0 0 "[ ]" 1 364 1 18 LYS HA 1 20 HIS H . . 6.200 4.806 4.806 4.806 . 0 0 "[ ]" 1 365 1 18 LYS HA 1 21 ALA MB . . 3.600 2.403 2.403 2.403 . 0 0 "[ ]" 1 366 1 18 LYS HA 1 22 GLU H . . 5.000 3.973 3.973 3.973 . 0 0 "[ ]" 1 367 1 18 LYS HB2 1 18 LYS QD . . 2.900 2.319 2.319 2.319 . 0 0 "[ ]" 1 368 1 18 LYS HB2 1 19 ALA H . . 3.800 3.934 3.934 3.934 0.134 1 0 "[ ]" 1 369 1 18 LYS HB3 1 19 ALA H . . 4.800 2.524 2.524 2.524 . 0 0 "[ ]" 1 370 1 18 LYS QD 1 19 ALA H . . 4.000 4.357 4.357 4.357 0.357 1 0 "[ ]" 1 371 1 18 LYS QG 1 19 ALA H . . 4.000 2.926 2.926 2.926 . 0 0 "[ ]" 1 372 1 18 LYS QG 1 19 ALA HA . . 4.600 3.106 3.106 3.106 . 0 0 "[ ]" 1 373 1 19 ALA H 1 19 ALA MB . . 3.500 2.239 2.239 2.239 . 0 0 "[ ]" 1 374 1 19 ALA H 1 20 HIS H . . 4.000 2.881 2.881 2.881 . 0 0 "[ ]" 1 375 1 19 ALA H 1 20 HIS HA . . 6.500 5.499 5.499 5.499 . 0 0 "[ ]" 1 376 1 19 ALA H 1 20 HIS HD1 . . 5.400 4.288 4.288 4.288 . 0 0 "[ ]" 1 377 1 19 ALA H 1 21 ALA H . . 4.900 3.926 3.926 3.926 . 0 0 "[ ]" 1 378 1 19 ALA HA 1 20 HIS H . . 4.400 3.600 3.600 3.600 . 0 0 "[ ]" 1 379 1 19 ALA HA 1 20 HIS HA . . 5.900 4.854 4.854 4.854 . 0 0 "[ ]" 1 380 1 19 ALA HA 1 21 ALA H . . 5.300 4.249 4.249 4.249 . 0 0 "[ ]" 1 381 1 19 ALA HA 1 22 GLU H . . 4.400 3.565 3.565 3.565 . 0 0 "[ ]" 1 382 1 19 ALA HA 1 22 GLU QB . . 4.200 4.318 4.318 4.318 0.118 1 0 "[ ]" 1 383 1 19 ALA HA 1 22 GLU HG2 . . 3.700 2.289 2.289 2.289 . 0 0 "[ ]" 1 384 1 19 ALA HA 1 22 GLU QG . . 5.100 2.260 2.260 2.260 . 0 0 "[ ]" 1 385 1 19 ALA HA 1 22 GLU HG3 . . 3.900 3.490 3.490 3.490 . 0 0 "[ ]" 1 386 1 19 ALA HA 1 23 LYS H . . 5.700 3.683 3.683 3.683 . 0 0 "[ ]" 1 387 1 19 ALA MB 1 20 HIS H . . 3.700 2.182 2.182 2.182 . 0 0 "[ ]" 1 388 1 19 ALA MB 1 20 HIS HD1 . . 5.900 2.790 2.790 2.790 . 0 0 "[ ]" 1 389 1 19 ALA MB 1 21 ALA H . . 4.800 4.145 4.145 4.145 . 0 0 "[ ]" 1 390 1 19 ALA MB 1 22 GLU H . . 5.800 4.651 4.651 4.651 . 0 0 "[ ]" 1 391 1 20 HIS H 1 20 HIS HD1 . . 3.700 2.294 2.294 2.294 . 0 0 "[ ]" 1 392 1 20 HIS H 1 21 ALA H . . 3.600 2.582 2.582 2.582 . 0 0 "[ ]" 1 393 1 20 HIS H 1 21 ALA HA . . 6.500 5.260 5.260 5.260 . 0 0 "[ ]" 1 394 1 20 HIS H 1 21 ALA MB . . 5.200 4.354 4.354 4.354 . 0 0 "[ ]" 1 395 1 20 HIS H 1 22 GLU H . . 5.000 4.447 4.447 4.447 . 0 0 "[ ]" 1 396 1 20 HIS HA 1 21 ALA H . . 5.000 3.529 3.529 3.529 . 0 0 "[ ]" 1 397 1 20 HIS HA 1 23 LYS H . . 4.900 3.961 3.961 3.961 . 0 0 "[ ]" 1 398 1 20 HIS HA 1 23 LYS HB2 . . 5.100 2.688 2.688 2.688 . 0 0 "[ ]" 1 399 1 20 HIS HA 1 23 LYS HB3 . . 4.100 4.204 4.204 4.204 0.104 1 0 "[ ]" 1 400 1 20 HIS HA 1 23 LYS QG . . 4.400 3.443 3.443 3.443 . 0 0 "[ ]" 1 401 1 20 HIS HA 1 24 LEU H . . 5.500 3.622 3.622 3.622 . 0 0 "[ ]" 1 402 1 20 HIS HA 1 24 LEU MD1 . . 6.500 2.842 2.842 2.842 . 0 0 "[ ]" 1 403 1 20 HIS QB 1 21 ALA H . . 5.600 2.638 2.638 2.638 . 0 0 "[ ]" 1 404 1 20 HIS QB 1 22 GLU H . . 7.100 4.935 4.935 4.935 . 0 0 "[ ]" 1 405 1 20 HIS HB3 1 21 ALA H . . 3.800 3.585 3.585 3.585 . 0 0 "[ ]" 1 406 1 20 HIS HD1 1 21 ALA H . . 5.100 4.587 4.587 4.587 . 0 0 "[ ]" 1 407 1 20 HIS HD1 1 21 ALA MB . . 7.500 5.958 5.958 5.958 . 0 0 "[ ]" 1 408 1 21 ALA H 1 21 ALA MB . . 3.500 2.302 2.302 2.302 . 0 0 "[ ]" 1 409 1 21 ALA H 1 22 GLU H . . 3.900 2.792 2.792 2.792 . 0 0 "[ ]" 1 410 1 21 ALA H 1 22 GLU HG2 . . 4.300 4.305 4.305 4.305 0.005 1 0 "[ ]" 1 411 1 21 ALA H 1 22 GLU QG . . 5.900 4.212 4.212 4.212 . 0 0 "[ ]" 1 412 1 21 ALA H 1 23 LYS H . . 5.200 4.258 4.258 4.258 . 0 0 "[ ]" 1 413 1 21 ALA H 1 24 LEU H . . 6.200 4.664 4.664 4.664 . 0 0 "[ ]" 1 414 1 21 ALA H 1 25 GLY H . . 5.500 5.153 5.153 5.153 . 0 0 "[ ]" 1 415 1 21 ALA HA 1 23 LYS H . . 6.500 4.855 4.855 4.855 . 0 0 "[ ]" 1 416 1 21 ALA HA 1 24 LEU H . . 4.400 3.895 3.895 3.895 . 0 0 "[ ]" 1 417 1 21 ALA HA 1 24 LEU MD1 . . 7.500 4.197 4.197 4.197 . 0 0 "[ ]" 1 418 1 21 ALA HA 1 25 GLY H . . 3.900 2.916 2.916 2.916 . 0 0 "[ ]" 1 419 1 21 ALA HA 1 26 CYS H . . 5.500 4.580 4.580 4.580 . 0 0 "[ ]" 1 420 1 21 ALA MB 1 22 GLU H . . 3.900 2.460 2.460 2.460 . 0 0 "[ ]" 1 421 1 21 ALA MB 1 23 LYS H . . 5.900 4.577 4.577 4.577 . 0 0 "[ ]" 1 422 1 21 ALA MB 1 24 LEU H . . 6.900 4.849 4.849 4.849 . 0 0 "[ ]" 1 423 1 21 ALA MB 1 25 GLY H . . 5.300 4.142 4.142 4.142 . 0 0 "[ ]" 1 424 1 21 ALA MB 1 25 GLY HA3 . . 5.400 5.765 5.765 5.765 0.365 1 0 "[ ]" 1 425 1 21 ALA MB 1 26 CYS H . . 6.400 5.322 5.322 5.322 . 0 0 "[ ]" 1 426 1 21 ALA MB 1 26 CYS HA . . 7.500 3.730 3.730 3.730 . 0 0 "[ ]" 1 427 1 22 GLU H 1 22 GLU QB . . 3.900 2.606 2.606 2.606 . 0 0 "[ ]" 1 428 1 22 GLU H 1 22 GLU HG2 . . 3.600 2.154 2.154 2.154 . 0 0 "[ ]" 1 429 1 22 GLU H 1 22 GLU QG . . 4.600 2.138 2.138 2.138 . 0 0 "[ ]" 1 430 1 22 GLU H 1 22 GLU HG3 . . 3.600 3.595 3.595 3.595 . 0 0 "[ ]" 1 431 1 22 GLU H 1 23 LYS H . . 4.000 2.569 2.569 2.569 . 0 0 "[ ]" 1 432 1 22 GLU H 1 23 LYS HA . . 6.500 5.230 5.230 5.230 . 0 0 "[ ]" 1 433 1 22 GLU H 1 24 LEU H . . 5.200 4.085 4.085 4.085 . 0 0 "[ ]" 1 434 1 22 GLU H 1 25 GLY H . . 4.400 4.604 4.604 4.604 0.204 1 0 "[ ]" 1 435 1 22 GLU HA 1 22 GLU HG2 . . 4.200 3.713 3.713 3.713 . 0 0 "[ ]" 1 436 1 22 GLU HA 1 22 GLU HG3 . . 3.700 3.900 3.900 3.900 0.200 1 0 "[ ]" 1 437 1 22 GLU HA 1 23 LYS H . . 4.800 3.578 3.578 3.578 . 0 0 "[ ]" 1 438 1 22 GLU QB 1 23 LYS H . . 5.100 3.534 3.534 3.534 . 0 0 "[ ]" 1 439 1 22 GLU QB 1 23 LYS QG . . 3.700 4.329 4.329 4.329 0.629 1 1 [+] 1 440 1 22 GLU HG2 1 23 LYS H . . 3.600 2.363 2.363 2.363 . 0 0 "[ ]" 1 441 1 22 GLU HG3 1 23 LYS H . . 3.300 2.817 2.817 2.817 . 0 0 "[ ]" 1 442 1 23 LYS H 1 23 LYS HB2 . . 3.400 2.409 2.409 2.409 . 0 0 "[ ]" 1 443 1 23 LYS H 1 23 LYS HB3 . . 3.600 3.533 3.533 3.533 . 0 0 "[ ]" 1 444 1 23 LYS H 1 23 LYS QD . . 3.700 3.680 3.680 3.680 . 0 0 "[ ]" 1 445 1 23 LYS H 1 23 LYS QE . . 7.300 4.686 4.686 4.686 . 0 0 "[ ]" 1 446 1 23 LYS H 1 23 LYS QG . . 4.100 2.056 2.056 2.056 . 0 0 "[ ]" 1 447 1 23 LYS H 1 24 LEU H . . 3.800 2.832 2.832 2.832 . 0 0 "[ ]" 1 448 1 23 LYS H 1 24 LEU HA . . 5.500 5.426 5.426 5.426 . 0 0 "[ ]" 1 449 1 23 LYS H 1 24 LEU QB . . 7.500 5.040 5.040 5.040 . 0 0 "[ ]" 1 450 1 23 LYS H 1 24 LEU MD1 . . 7.500 5.244 5.244 5.244 . 0 0 "[ ]" 1 451 1 23 LYS H 1 25 GLY H . . 5.200 4.579 4.579 4.579 . 0 0 "[ ]" 1 452 1 23 LYS HA 1 23 LYS QD . . 3.500 2.418 2.418 2.418 . 0 0 "[ ]" 1 453 1 23 LYS HA 1 23 LYS QG . . 3.300 2.753 2.753 2.753 . 0 0 "[ ]" 1 454 1 23 LYS HA 1 24 LEU H . . 4.200 3.622 3.622 3.622 . 0 0 "[ ]" 1 455 1 23 LYS HB2 1 24 LEU H . . 3.700 2.420 2.420 2.420 . 0 0 "[ ]" 1 456 1 23 LYS HB3 1 23 LYS QD . . 2.900 2.288 2.288 2.288 . 0 0 "[ ]" 1 457 1 23 LYS QD 1 24 LEU H . . 4.700 4.976 4.976 4.976 0.276 1 0 "[ ]" 1 458 1 23 LYS QG 1 24 LEU H . . 4.400 3.988 3.988 3.988 . 0 0 "[ ]" 1 459 1 24 LEU H 1 24 LEU MD2 . . 5.100 3.569 3.569 3.569 . 0 0 "[ ]" 1 460 1 24 LEU H 1 24 LEU HG . . 3.700 2.341 2.341 2.341 . 0 0 "[ ]" 1 461 1 24 LEU H 1 25 GLY H . . 3.500 2.526 2.526 2.526 . 0 0 "[ ]" 1 462 1 24 LEU H 1 25 GLY HA3 . . 5.000 5.184 5.184 5.184 0.184 1 0 "[ ]" 1 463 1 24 LEU H 1 26 CYS H . . 6.500 5.668 5.668 5.668 . 0 0 "[ ]" 1 464 1 24 LEU HA 1 24 LEU MD2 . . 4.500 2.261 2.261 2.261 . 0 0 "[ ]" 1 465 1 24 LEU HA 1 24 LEU HG . . 4.000 3.108 3.108 3.108 . 0 0 "[ ]" 1 466 1 24 LEU HA 1 25 GLY H . . 4.400 3.663 3.663 3.663 . 0 0 "[ ]" 1 467 1 24 LEU HA 1 28 ALA MB . . 5.200 4.309 4.309 4.309 . 0 0 "[ ]" 1 468 1 24 LEU QB 1 25 GLY H . . 5.500 2.394 2.394 2.394 . 0 0 "[ ]" 1 469 1 24 LEU QB 1 25 GLY HA3 . . 6.600 4.009 4.009 4.009 . 0 0 "[ ]" 1 470 1 24 LEU MD1 1 25 GLY H . . 7.500 4.161 4.161 4.161 . 0 0 "[ ]" 1 471 1 24 LEU MD1 1 28 ALA MB . . 5.800 2.115 2.115 2.115 . 0 0 "[ ]" 1 472 1 24 LEU MD1 1 29 CYS H . . 7.400 4.973 4.973 4.973 . 0 0 "[ ]" 1 473 1 25 GLY H 1 26 CYS H . . 5.400 3.384 3.384 3.384 . 0 0 "[ ]" 1 474 1 25 GLY H 1 26 CYS HA . . 5.700 4.274 4.274 4.274 . 0 0 "[ ]" 1 475 1 25 GLY H 1 27 ASP H . . 5.100 5.264 5.264 5.264 0.164 1 0 "[ ]" 1 476 1 25 GLY HA2 1 26 CYS H . . 5.400 3.522 3.522 3.522 . 0 0 "[ ]" 1 477 1 25 GLY HA2 1 27 ASP H . . 4.900 4.867 4.867 4.867 . 0 0 "[ ]" 1 478 1 25 GLY HA2 1 28 ALA H . . 5.800 5.780 5.780 5.780 . 0 0 "[ ]" 1 479 1 25 GLY HA3 1 26 CYS H . . 3.400 2.319 2.319 2.319 . 0 0 "[ ]" 1 480 1 25 GLY HA3 1 27 ASP H . . 4.900 3.569 3.569 3.569 . 0 0 "[ ]" 1 481 1 25 GLY HA3 1 28 ALA H . . 5.200 4.292 4.292 4.292 . 0 0 "[ ]" 1 482 1 26 CYS H 1 27 ASP H . . 3.600 1.925 1.925 1.925 . 0 0 "[ ]" 1 483 1 26 CYS H 1 28 ALA H . . 5.500 2.448 2.448 2.448 . 0 0 "[ ]" 1 484 1 26 CYS H 1 28 ALA MB . . 4.800 3.207 3.207 3.207 . 0 0 "[ ]" 1 485 1 26 CYS HA 1 27 ASP H . . 4.500 3.379 3.379 3.379 . 0 0 "[ ]" 1 486 1 26 CYS HA 1 28 ALA H . . 5.100 4.124 4.124 4.124 . 0 0 "[ ]" 1 487 1 26 CYS HA 1 28 ALA MB . . 6.100 3.788 3.788 3.788 . 0 0 "[ ]" 1 488 1 26 CYS HA 1 29 CYS H . . 5.900 3.919 3.919 3.919 . 0 0 "[ ]" 1 489 1 26 CYS HA 1 29 CYS HB3 . . 6.500 6.443 6.443 6.443 . 0 0 "[ ]" 1 490 1 26 CYS HA 1 30 HIS H . . 6.500 4.125 4.125 4.125 . 0 0 "[ ]" 1 491 1 26 CYS HB3 1 27 ASP H . . 5.300 2.462 2.462 2.462 . 0 0 "[ ]" 1 492 1 27 ASP H 1 27 ASP QB . . 3.500 2.377 2.377 2.377 . 0 0 "[ ]" 1 493 1 27 ASP H 1 28 ALA H . . 3.600 2.647 2.647 2.647 . 0 0 "[ ]" 1 494 1 27 ASP H 1 28 ALA HA . . 5.200 5.235 5.235 5.235 0.035 1 0 "[ ]" 1 495 1 27 ASP H 1 28 ALA MB . . 4.900 4.103 4.103 4.103 . 0 0 "[ ]" 1 496 1 27 ASP H 1 29 CYS H . . 5.600 4.371 4.371 4.371 . 0 0 "[ ]" 1 497 1 27 ASP HA 1 28 ALA H . . 4.800 3.501 3.501 3.501 . 0 0 "[ ]" 1 498 1 27 ASP HA 1 29 CYS H . . 5.200 4.134 4.134 4.134 . 0 0 "[ ]" 1 499 1 27 ASP HA 1 30 HIS H . . 4.500 3.693 3.693 3.693 . 0 0 "[ ]" 1 500 1 27 ASP HA 1 30 HIS HB3 . . 5.600 5.579 5.579 5.579 . 0 0 "[ ]" 1 501 1 27 ASP HA 1 31 GLU HA . . 3.500 2.749 2.749 2.749 . 0 0 "[ ]" 1 502 1 27 ASP QB 1 28 ALA H . . 4.700 3.111 3.111 3.111 . 0 0 "[ ]" 1 503 1 27 ASP QB 1 29 CYS H . . 6.500 4.940 4.940 4.940 . 0 0 "[ ]" 1 504 1 27 ASP QB 1 31 GLU QG . . 3.900 4.504 4.504 4.504 0.604 1 1 [+] 1 505 1 28 ALA H 1 28 ALA MB . . 3.500 2.189 2.189 2.189 . 0 0 "[ ]" 1 506 1 28 ALA H 1 29 CYS H . . 4.100 3.078 3.078 3.078 . 0 0 "[ ]" 1 507 1 28 ALA H 1 30 HIS H . . 4.300 4.322 4.322 4.322 0.022 1 0 "[ ]" 1 508 1 28 ALA HA 1 29 CYS H . . 4.900 3.556 3.556 3.556 . 0 0 "[ ]" 1 509 1 28 ALA HA 1 30 HIS H . . 5.900 5.191 5.191 5.191 . 0 0 "[ ]" 1 510 1 28 ALA MB 1 29 CYS H . . 4.400 2.515 2.515 2.515 . 0 0 "[ ]" 1 511 1 28 ALA MB 1 29 CYS HA . . 6.500 4.125 4.125 4.125 . 0 0 "[ ]" 1 512 1 28 ALA MB 1 30 HIS H . . 5.600 4.171 4.171 4.171 . 0 0 "[ ]" 1 513 1 29 CYS H 1 29 CYS HB3 . . 4.300 3.800 3.800 3.800 . 0 0 "[ ]" 1 514 1 29 CYS H 1 30 HIS H . . 3.800 1.965 1.965 1.965 . 0 0 "[ ]" 1 515 1 29 CYS H 1 30 HIS HA . . 6.300 4.768 4.768 4.768 . 0 0 "[ ]" 1 516 1 29 CYS H 1 31 GLU H . . 6.500 5.319 5.319 5.319 . 0 0 "[ ]" 1 517 1 29 CYS H 1 37 ILE MD . . 7.500 5.010 5.010 5.010 . 0 0 "[ ]" 1 518 1 29 CYS HA 1 30 HIS H . . 5.000 3.578 3.578 3.578 . 0 0 "[ ]" 1 519 1 29 CYS HA 1 37 ILE MD . . 7.500 3.705 3.705 3.705 . 0 0 "[ ]" 1 520 1 29 CYS HB2 1 30 HIS H . . 4.500 2.859 2.859 2.859 . 0 0 "[ ]" 1 521 1 29 CYS HB2 1 37 ILE MD . . 6.600 3.078 3.078 3.078 . 0 0 "[ ]" 1 522 1 29 CYS HB3 1 30 HIS H . . 4.800 3.977 3.977 3.977 . 0 0 "[ ]" 1 523 1 29 CYS HB3 1 37 ILE MD . . 6.300 2.284 2.284 2.284 . 0 0 "[ ]" 1 524 1 30 HIS H 1 30 HIS HB3 . . 4.400 3.698 3.698 3.698 . 0 0 "[ ]" 1 525 1 30 HIS H 1 30 HIS HD1 . . 6.500 4.905 4.905 4.905 . 0 0 "[ ]" 1 526 1 30 HIS H 1 31 GLU H . . 5.200 3.868 3.868 3.868 . 0 0 "[ ]" 1 527 1 30 HIS H 1 31 GLU HB3 . . 6.500 6.511 6.511 6.511 0.011 1 0 "[ ]" 1 528 1 30 HIS H 1 37 ILE MD . . 7.500 4.486 4.486 4.486 . 0 0 "[ ]" 1 529 1 30 HIS HA 1 30 HIS HD1 . . 3.700 2.891 2.891 2.891 . 0 0 "[ ]" 1 530 1 30 HIS HA 1 31 GLU H . . 3.100 2.242 2.242 2.242 . 0 0 "[ ]" 1 531 1 30 HIS HA 1 31 GLU HA . . 4.600 4.522 4.522 4.522 . 0 0 "[ ]" 1 532 1 30 HIS HA 1 31 GLU HB2 . . 5.800 4.936 4.936 4.936 . 0 0 "[ ]" 1 533 1 30 HIS HA 1 31 GLU HB3 . . 5.900 5.811 5.811 5.811 . 0 0 "[ ]" 1 534 1 30 HIS HA 1 32 GLY H . . 5.800 4.192 4.192 4.192 . 0 0 "[ ]" 1 535 1 30 HIS HA 1 34 PRO HA . . 5.500 4.286 4.286 4.286 . 0 0 "[ ]" 1 536 1 30 HIS HA 1 34 PRO QG . . 6.300 6.147 6.147 6.147 . 0 0 "[ ]" 1 537 1 30 HIS HA 1 37 ILE MD . . 5.800 3.927 3.927 3.927 . 0 0 "[ ]" 1 538 1 30 HIS HB2 1 31 GLU H . . 4.600 4.462 4.462 4.462 . 0 0 "[ ]" 1 539 1 30 HIS HB2 1 34 PRO HA . . 4.700 4.616 4.616 4.616 . 0 0 "[ ]" 1 540 1 30 HIS HB2 1 34 PRO HB3 . . 3.600 3.689 3.689 3.689 0.089 1 0 "[ ]" 1 541 1 30 HIS HB3 1 31 GLU H . . 5.400 4.017 4.017 4.017 . 0 0 "[ ]" 1 542 1 30 HIS HB3 1 31 GLU HA . . 6.500 5.196 5.196 5.196 . 0 0 "[ ]" 1 543 1 30 HIS HB3 1 34 PRO HA . . 6.500 3.162 3.162 3.162 . 0 0 "[ ]" 1 544 1 30 HIS HB3 1 34 PRO QG . . 4.700 4.066 4.066 4.066 . 0 0 "[ ]" 1 545 1 30 HIS HB3 1 37 ILE MD . . 7.500 4.935 4.935 4.935 . 0 0 "[ ]" 1 546 1 30 HIS HD1 1 31 GLU H . . 4.900 4.990 4.990 4.990 0.090 1 0 "[ ]" 1 547 1 30 HIS HD1 1 34 PRO HA . . 4.000 2.034 2.034 2.034 . 0 0 "[ ]" 1 548 1 30 HIS HD1 1 34 PRO HB2 . . 4.300 3.916 3.916 3.916 . 0 0 "[ ]" 1 549 1 30 HIS HD1 1 34 PRO HB3 . . 3.900 2.985 2.985 2.985 . 0 0 "[ ]" 1 550 1 30 HIS HD1 1 34 PRO QG . . 4.600 4.748 4.748 4.748 0.148 1 0 "[ ]" 1 551 1 30 HIS HD1 1 36 LYS H . . 5.900 5.220 5.220 5.220 . 0 0 "[ ]" 1 552 1 30 HIS HD1 1 37 ILE MD . . 5.900 3.298 3.298 3.298 . 0 0 "[ ]" 1 553 1 30 HIS HD1 1 37 ILE HG12 . . 4.300 2.955 2.955 2.955 . 0 0 "[ ]" 1 554 1 30 HIS HD1 1 37 ILE HG13 . . 4.800 4.028 4.028 4.028 . 0 0 "[ ]" 1 555 1 30 HIS HD1 1 37 ILE MG . . 6.900 4.658 4.658 4.658 . 0 0 "[ ]" 1 556 1 31 GLU H 1 31 GLU QG . . 3.700 1.987 1.987 1.987 . 0 0 "[ ]" 1 557 1 31 GLU H 1 32 GLY H . . 4.700 2.709 2.709 2.709 . 0 0 "[ ]" 1 558 1 31 GLU H 1 32 GLY HA2 . . 6.500 5.367 5.367 5.367 . 0 0 "[ ]" 1 559 1 31 GLU H 1 33 THR H . . 6.500 4.518 4.518 4.518 . 0 0 "[ ]" 1 560 1 31 GLU H 1 37 ILE MD . . 7.500 5.403 5.403 5.403 . 0 0 "[ ]" 1 561 1 31 GLU HA 1 31 GLU QG . . 3.600 2.486 2.486 2.486 . 0 0 "[ ]" 1 562 1 31 GLU HA 1 32 GLY H . . 3.600 3.470 3.470 3.470 . 0 0 "[ ]" 1 563 1 31 GLU HB2 1 32 GLY H . . 4.800 1.988 1.988 1.988 . 0 0 "[ ]" 1 564 1 31 GLU HB3 1 32 GLY H . . 4.700 3.287 3.287 3.287 . 0 0 "[ ]" 1 565 1 31 GLU QG 1 32 GLY H . . 4.100 3.435 3.435 3.435 . 0 0 "[ ]" 1 566 1 32 GLY H 1 33 THR H . . 4.000 2.902 2.902 2.902 . 0 0 "[ ]" 1 567 1 32 GLY HA2 1 33 THR H . . 3.600 3.607 3.607 3.607 0.007 1 0 "[ ]" 1 568 1 32 GLY HA3 1 33 THR H . . 3.500 2.551 2.551 2.551 . 0 0 "[ ]" 1 569 1 33 THR H 1 33 THR HB . . 3.900 3.402 3.402 3.402 . 0 0 "[ ]" 1 570 1 33 THR H 1 34 PRO HD2 . . 5.800 4.836 4.836 4.836 . 0 0 "[ ]" 1 571 1 34 PRO HA 1 34 PRO HD2 . . 4.500 4.086 4.086 4.086 . 0 0 "[ ]" 1 572 1 34 PRO HA 1 35 ALA H . . 6.500 2.219 2.219 2.219 . 0 0 "[ ]" 1 573 1 34 PRO HA 1 35 ALA MB . . 7.500 4.001 4.001 4.001 . 0 0 "[ ]" 1 574 1 34 PRO HA 1 36 LYS H . . 6.400 4.290 4.290 4.290 . 0 0 "[ ]" 1 575 1 34 PRO HB2 1 36 LYS H . . 3.200 3.538 3.538 3.538 0.338 1 0 "[ ]" 1 576 1 34 PRO QG 1 35 ALA H . . 6.000 4.557 4.557 4.557 . 0 0 "[ ]" 1 577 1 34 PRO QG 1 35 ALA MB . . 6.700 4.869 4.869 4.869 . 0 0 "[ ]" 1 578 1 34 PRO QG 1 36 LYS H . . 6.500 4.981 4.981 4.981 . 0 0 "[ ]" 1 579 1 36 LYS H 1 36 LYS HB2 . . 3.900 3.768 3.768 3.768 . 0 0 "[ ]" 1 580 1 36 LYS H 1 36 LYS HE2 . . 6.500 6.523 6.523 6.523 0.023 1 0 "[ ]" 1 581 1 36 LYS H 1 36 LYS HE3 . . 5.900 5.776 5.776 5.776 . 0 0 "[ ]" 1 582 1 36 LYS H 1 36 LYS HG2 . . 3.600 2.898 2.898 2.898 . 0 0 "[ ]" 1 583 1 36 LYS H 1 36 LYS HG3 . . 4.400 4.007 4.007 4.007 . 0 0 "[ ]" 1 584 1 36 LYS H 1 37 ILE H . . 5.500 4.513 4.513 4.513 . 0 0 "[ ]" 1 585 1 36 LYS H 1 37 ILE MD . . 7.500 6.060 6.060 6.060 . 0 0 "[ ]" 1 586 1 36 LYS HA 1 36 LYS HE2 . . 6.500 5.431 5.431 5.431 . 0 0 "[ ]" 1 587 1 36 LYS HA 1 36 LYS HE3 . . 5.600 4.437 4.437 4.437 . 0 0 "[ ]" 1 588 1 36 LYS HA 1 36 LYS HG2 . . 4.100 2.572 2.572 2.572 . 0 0 "[ ]" 1 589 1 36 LYS HA 1 36 LYS HG3 . . 4.500 3.739 3.739 3.739 . 0 0 "[ ]" 1 590 1 36 LYS HA 1 37 ILE HG12 . . 4.800 4.601 4.601 4.601 . 0 0 "[ ]" 1 591 1 36 LYS HA 1 37 ILE HG13 . . 5.400 3.838 3.838 3.838 . 0 0 "[ ]" 1 592 1 36 LYS HB2 1 36 LYS HG2 . . 3.100 2.929 2.929 2.929 . 0 0 "[ ]" 1 593 1 36 LYS HB2 1 37 ILE H . . 5.100 2.995 2.995 2.995 . 0 0 "[ ]" 1 594 1 36 LYS HB3 1 36 LYS HG3 . . 2.800 2.879 2.879 2.879 0.079 1 0 "[ ]" 1 595 1 36 LYS HB3 1 37 ILE H . . 5.000 1.949 1.949 1.949 . 0 0 "[ ]" 1 596 1 36 LYS QD 1 37 ILE H . . 7.000 3.718 3.718 3.718 . 0 0 "[ ]" 1 597 1 36 LYS QD 1 38 ALA H . . 7.500 4.709 4.709 4.709 . 0 0 "[ ]" 1 598 1 36 LYS HE2 1 37 ILE H . . 5.200 5.394 5.394 5.394 0.194 1 0 "[ ]" 1 599 1 36 LYS HE3 1 37 ILE H . . 5.300 3.838 3.838 3.838 . 0 0 "[ ]" 1 600 1 36 LYS HG2 1 37 ILE H . . 5.000 4.378 4.378 4.378 . 0 0 "[ ]" 1 601 1 36 LYS HG3 1 37 ILE H . . 4.900 4.705 4.705 4.705 . 0 0 "[ ]" 1 602 1 37 ILE H 1 37 ILE HB . . 3.800 3.093 3.093 3.093 . 0 0 "[ ]" 1 603 1 37 ILE H 1 37 ILE HG12 . . 4.400 3.854 3.854 3.854 . 0 0 "[ ]" 1 604 1 37 ILE H 1 37 ILE HG13 . . 4.800 3.041 3.041 3.041 . 0 0 "[ ]" 1 605 1 37 ILE H 1 38 ALA H . . 5.700 1.931 1.931 1.931 . 0 0 "[ ]" 1 606 1 37 ILE HA 1 37 ILE HG13 . . 3.900 3.348 3.348 3.348 . 0 0 "[ ]" 1 607 1 37 ILE HA 1 38 ALA H . . 3.400 3.480 3.480 3.480 0.080 1 0 "[ ]" 1 608 1 37 ILE HA 1 38 ALA HA . . 5.500 5.329 5.329 5.329 . 0 0 "[ ]" 1 609 1 37 ILE HB 1 37 ILE HG13 . . 3.000 2.336 2.336 2.336 . 0 0 "[ ]" 1 610 1 37 ILE HB 1 38 ALA H . . 5.200 2.384 2.384 2.384 . 0 0 "[ ]" 1 611 1 37 ILE MD 1 38 ALA H . . 7.400 4.438 4.438 4.438 . 0 0 "[ ]" 1 612 1 37 ILE MD 1 39 ILE H . . 7.500 5.099 5.099 5.099 . 0 0 "[ ]" 1 613 1 37 ILE MD 1 39 ILE MD . . 6.700 3.373 3.373 3.373 . 0 0 "[ ]" 1 614 1 37 ILE HG12 1 38 ALA H . . 4.600 4.596 4.596 4.596 . 0 0 "[ ]" 1 615 1 37 ILE HG13 1 38 ALA H . . 3.200 3.675 3.675 3.675 0.475 1 0 "[ ]" 1 616 1 37 ILE HG13 1 39 ILE QG . . 4.300 4.225 4.225 4.225 . 0 0 "[ ]" 1 617 1 37 ILE MG 1 38 ALA H . . 6.700 3.569 3.569 3.569 . 0 0 "[ ]" 1 618 1 37 ILE MG 1 38 ALA HA . . 7.500 4.818 4.818 4.818 . 0 0 "[ ]" 1 619 1 37 ILE MG 1 39 ILE MD . . 8.500 2.124 2.124 2.124 . 0 0 "[ ]" 1 620 1 38 ALA H 1 38 ALA MB . . 3.500 2.973 2.973 2.973 . 0 0 "[ ]" 1 621 1 38 ALA H 1 39 ILE H . . 4.400 2.831 2.831 2.831 . 0 0 "[ ]" 1 622 1 38 ALA H 1 39 ILE HB . . 6.100 4.716 4.716 4.716 . 0 0 "[ ]" 1 623 1 38 ALA H 1 39 ILE MD . . 7.500 4.670 4.670 4.670 . 0 0 "[ ]" 1 624 1 38 ALA H 1 39 ILE MG . . 7.500 5.743 5.743 5.743 . 0 0 "[ ]" 1 625 1 38 ALA MB 1 40 ASP H . . 5.700 4.766 4.766 4.766 . 0 0 "[ ]" 1 626 1 39 ILE H 1 39 ILE HA . . 3.100 2.956 2.956 2.956 . 0 0 "[ ]" 1 627 1 39 ILE H 1 39 ILE HB . . 3.400 2.340 2.340 2.340 . 0 0 "[ ]" 1 628 1 39 ILE H 1 39 ILE QG . . 4.000 2.696 2.696 2.696 . 0 0 "[ ]" 1 629 1 39 ILE H 1 40 ASP H . . 5.100 4.275 4.275 4.275 . 0 0 "[ ]" 1 630 1 39 ILE HA 1 39 ILE MD . . 4.600 2.099 2.099 2.099 . 0 0 "[ ]" 1 631 1 39 ILE HA 1 40 ASP H . . 3.300 2.044 2.044 2.044 . 0 0 "[ ]" 1 632 1 39 ILE HA 1 43 SER H . . 4.900 4.762 4.762 4.762 . 0 0 "[ ]" 1 633 1 39 ILE HA 1 43 SER HB2 . . 4.700 2.530 2.530 2.530 . 0 0 "[ ]" 1 634 1 39 ILE HA 1 48 ALA MB . . 7.500 4.306 4.306 4.306 . 0 0 "[ ]" 1 635 1 39 ILE HB 1 40 ASP H . . 5.100 4.458 4.458 4.458 . 0 0 "[ ]" 1 636 1 39 ILE MD 1 40 ASP H . . 6.000 3.563 3.563 3.563 . 0 0 "[ ]" 1 637 1 39 ILE MD 1 44 ALA H . . 7.100 3.798 3.798 3.798 . 0 0 "[ ]" 1 638 1 39 ILE MD 1 48 ALA HA . . 7.500 4.184 4.184 4.184 . 0 0 "[ ]" 1 639 1 39 ILE MD 1 48 ALA MB . . 4.500 2.089 2.089 2.089 . 0 0 "[ ]" 1 640 1 39 ILE QG 1 40 ASP H . . 5.100 4.624 4.624 4.624 . 0 0 "[ ]" 1 641 1 39 ILE MG 1 40 ASP H . . 6.000 3.062 3.062 3.062 . 0 0 "[ ]" 1 642 1 39 ILE MG 1 40 ASP HA . . 7.500 4.157 4.157 4.157 . 0 0 "[ ]" 1 643 1 39 ILE MG 1 44 ALA H . . 6.400 2.403 2.403 2.403 . 0 0 "[ ]" 1 644 1 39 ILE MG 1 44 ALA HA . . 6.300 2.345 2.345 2.345 . 0 0 "[ ]" 1 645 1 39 ILE MG 1 44 ALA MB . . 6.300 1.996 1.996 1.996 . 0 0 "[ ]" 1 646 1 39 ILE MG 1 48 ALA MB . . 7.500 2.329 2.329 2.329 . 0 0 "[ ]" 1 647 1 40 ASP H 1 41 LYS H . . 4.900 4.391 4.391 4.391 . 0 0 "[ ]" 1 648 1 40 ASP H 1 43 SER HA . . 5.700 5.058 5.058 5.058 . 0 0 "[ ]" 1 649 1 40 ASP H 1 43 SER HB3 . . 5.600 3.894 3.894 3.894 . 0 0 "[ ]" 1 650 1 40 ASP H 1 44 ALA H . . 4.200 3.356 3.356 3.356 . 0 0 "[ ]" 1 651 1 40 ASP H 1 44 ALA MB . . 4.700 3.983 3.983 3.983 . 0 0 "[ ]" 1 652 1 40 ASP HA 1 41 LYS H . . 3.400 2.400 2.400 2.400 . 0 0 "[ ]" 1 653 1 40 ASP HA 1 42 LYS H . . 6.500 4.667 4.667 4.667 . 0 0 "[ ]" 1 654 1 40 ASP HB2 1 41 LYS H . . 3.500 2.200 2.200 2.200 . 0 0 "[ ]" 1 655 1 40 ASP HB2 1 42 LYS H . . 5.800 3.508 3.508 3.508 . 0 0 "[ ]" 1 656 1 40 ASP HB3 1 41 LYS H . . 3.400 3.634 3.634 3.634 0.234 1 0 "[ ]" 1 657 1 41 LYS H 1 41 LYS HB2 . . 3.400 3.570 3.570 3.570 0.170 1 0 "[ ]" 1 658 1 41 LYS H 1 41 LYS HB3 . . 3.500 3.249 3.249 3.249 . 0 0 "[ ]" 1 659 1 41 LYS H 1 41 LYS HD2 . . 6.200 4.502 4.502 4.502 . 0 0 "[ ]" 1 660 1 41 LYS H 1 41 LYS HD3 . . 6.100 4.410 4.410 4.410 . 0 0 "[ ]" 1 661 1 41 LYS H 1 41 LYS QE . . 7.400 4.030 4.030 4.030 . 0 0 "[ ]" 1 662 1 41 LYS H 1 42 LYS H . . 4.100 3.112 3.112 3.112 . 0 0 "[ ]" 1 663 1 41 LYS H 1 44 ALA MB . . 5.300 4.136 4.136 4.136 . 0 0 "[ ]" 1 664 1 41 LYS HA 1 41 LYS HD2 . . 4.800 5.083 5.083 5.083 0.283 1 0 "[ ]" 1 665 1 41 LYS HA 1 41 LYS HD3 . . 5.400 4.574 4.574 4.574 . 0 0 "[ ]" 1 666 1 41 LYS HA 1 42 LYS H . . 5.600 3.577 3.577 3.577 . 0 0 "[ ]" 1 667 1 41 LYS HB2 1 42 LYS H . . 3.900 2.746 2.746 2.746 . 0 0 "[ ]" 1 668 1 41 LYS HB3 1 42 LYS H . . 3.600 3.945 3.945 3.945 0.345 1 0 "[ ]" 1 669 1 41 LYS HD2 1 42 LYS H . . 6.200 4.057 4.057 4.057 . 0 0 "[ ]" 1 670 1 42 LYS H 1 42 LYS HG2 . . 4.700 3.573 3.573 3.573 . 0 0 "[ ]" 1 671 1 42 LYS H 1 42 LYS HG3 . . 3.800 2.142 2.142 2.142 . 0 0 "[ ]" 1 672 1 42 LYS H 1 43 SER H . . 3.700 2.871 2.871 2.871 . 0 0 "[ ]" 1 673 1 42 LYS H 1 44 ALA H . . 4.900 4.364 4.364 4.364 . 0 0 "[ ]" 1 674 1 42 LYS H 1 44 ALA MB . . 6.400 4.567 4.567 4.567 . 0 0 "[ ]" 1 675 1 42 LYS H 1 45 HIS H . . 6.500 4.775 4.775 4.775 . 0 0 "[ ]" 1 676 1 42 LYS HA 1 42 LYS HG2 . . 3.800 2.801 2.801 2.801 . 0 0 "[ ]" 1 677 1 42 LYS HA 1 42 LYS HG3 . . 4.000 2.942 2.942 2.942 . 0 0 "[ ]" 1 678 1 42 LYS HA 1 43 SER H . . 4.400 3.631 3.631 3.631 . 0 0 "[ ]" 1 679 1 42 LYS HA 1 45 HIS H . . 4.600 4.043 4.043 4.043 . 0 0 "[ ]" 1 680 1 42 LYS HB2 1 42 LYS HG3 . . 3.000 2.624 2.624 2.624 . 0 0 "[ ]" 1 681 1 42 LYS HB3 1 42 LYS HG2 . . 2.500 2.382 2.382 2.382 . 0 0 "[ ]" 1 682 1 42 LYS HB3 1 42 LYS HG3 . . 2.800 3.039 3.039 3.039 0.239 1 0 "[ ]" 1 683 1 42 LYS HB3 1 43 SER H . . 4.600 3.320 3.320 3.320 . 0 0 "[ ]" 1 684 1 42 LYS HG2 1 43 SER H . . 4.700 4.911 4.911 4.911 0.211 1 0 "[ ]" 1 685 1 42 LYS HG3 1 43 SER H . . 5.000 4.213 4.213 4.213 . 0 0 "[ ]" 1 686 1 42 LYS HG3 1 45 HIS H . . 6.500 6.306 6.306 6.306 . 0 0 "[ ]" 1 687 1 43 SER H 1 43 SER HA . . 3.100 2.806 2.806 2.806 . 0 0 "[ ]" 1 688 1 43 SER H 1 43 SER HB2 . . 3.400 2.643 2.643 2.643 . 0 0 "[ ]" 1 689 1 43 SER H 1 43 SER HB3 . . 3.600 3.565 3.565 3.565 . 0 0 "[ ]" 1 690 1 43 SER H 1 44 ALA H . . 3.500 2.839 2.839 2.839 . 0 0 "[ ]" 1 691 1 43 SER H 1 44 ALA HA . . 5.900 5.467 5.467 5.467 . 0 0 "[ ]" 1 692 1 43 SER H 1 44 ALA MB . . 5.800 4.278 4.278 4.278 . 0 0 "[ ]" 1 693 1 43 SER H 1 45 HIS H . . 5.600 4.498 4.498 4.498 . 0 0 "[ ]" 1 694 1 43 SER HA 1 43 SER HB2 . . 3.100 3.048 3.048 3.048 . 0 0 "[ ]" 1 695 1 43 SER HA 1 44 ALA H . . 3.800 3.537 3.537 3.537 . 0 0 "[ ]" 1 696 1 43 SER HA 1 45 HIS H . . 6.500 4.816 4.816 4.816 . 0 0 "[ ]" 1 697 1 43 SER HA 1 46 LYS H . . 4.300 3.635 3.635 3.635 . 0 0 "[ ]" 1 698 1 43 SER HB2 1 44 ALA H . . 4.100 2.270 2.270 2.270 . 0 0 "[ ]" 1 699 1 43 SER HB2 1 44 ALA MB . . 6.100 3.748 3.748 3.748 . 0 0 "[ ]" 1 700 1 43 SER HB2 1 45 HIS H . . 5.300 5.119 5.119 5.119 . 0 0 "[ ]" 1 701 1 43 SER HB2 1 48 ALA MB . . 5.600 3.552 3.552 3.552 . 0 0 "[ ]" 1 702 1 43 SER HB3 1 44 ALA H . . 4.700 3.498 3.498 3.498 . 0 0 "[ ]" 1 703 1 43 SER HB3 1 44 ALA MB . . 7.500 4.848 4.848 4.848 . 0 0 "[ ]" 1 704 1 43 SER HB3 1 45 HIS H . . 5.900 5.911 5.911 5.911 0.011 1 0 "[ ]" 1 705 1 44 ALA H 1 44 ALA MB . . 3.600 2.152 2.152 2.152 . 0 0 "[ ]" 1 706 1 44 ALA H 1 45 HIS H . . 4.300 2.990 2.990 2.990 . 0 0 "[ ]" 1 707 1 44 ALA H 1 45 HIS HB3 . . 6.500 6.479 6.479 6.479 . 0 0 "[ ]" 1 708 1 44 ALA H 1 46 LYS H . . 5.600 4.040 4.040 4.040 . 0 0 "[ ]" 1 709 1 44 ALA H 1 48 ALA MB . . 4.200 3.518 3.518 3.518 . 0 0 "[ ]" 1 710 1 44 ALA HA 1 45 HIS H . . 4.900 3.596 3.596 3.596 . 0 0 "[ ]" 1 711 1 44 ALA HA 1 48 ALA H . . 4.100 3.922 3.922 3.922 . 0 0 "[ ]" 1 712 1 44 ALA HA 1 48 ALA MB . . 3.600 2.115 2.115 2.115 . 0 0 "[ ]" 1 713 1 44 ALA HA 1 49 CYS H . . 4.200 2.060 2.060 2.060 . 0 0 "[ ]" 1 714 1 44 ALA HA 1 49 CYS HB2 . . 4.400 3.340 3.340 3.340 . 0 0 "[ ]" 1 715 1 44 ALA HA 1 50 LYS H . . 5.400 3.657 3.657 3.657 . 0 0 "[ ]" 1 716 1 44 ALA MB 1 45 HIS H . . 4.100 2.157 2.157 2.157 . 0 0 "[ ]" 1 717 1 44 ALA MB 1 45 HIS HA . . 5.200 3.736 3.736 3.736 . 0 0 "[ ]" 1 718 1 44 ALA MB 1 46 LYS H . . 5.000 4.185 4.185 4.185 . 0 0 "[ ]" 1 719 1 44 ALA MB 1 49 CYS H . . 7.500 3.503 3.503 3.503 . 0 0 "[ ]" 1 720 1 44 ALA MB 1 49 CYS HB2 . . 7.500 3.054 3.054 3.054 . 0 0 "[ ]" 1 721 1 44 ALA MB 1 49 CYS HB3 . . 7.500 4.255 4.255 4.255 . 0 0 "[ ]" 1 722 1 45 HIS H 1 46 LYS H . . 4.200 2.584 2.584 2.584 . 0 0 "[ ]" 1 723 1 45 HIS HA 1 46 LYS H . . 5.000 3.545 3.545 3.545 . 0 0 "[ ]" 1 724 1 45 HIS HA 1 49 CYS HB2 . . 5.800 4.536 4.536 4.536 . 0 0 "[ ]" 1 725 1 45 HIS HA 1 50 LYS H . . 6.100 3.367 3.367 3.367 . 0 0 "[ ]" 1 726 1 45 HIS HB2 1 46 LYS H . . 4.600 3.161 3.161 3.161 . 0 0 "[ ]" 1 727 1 45 HIS HB3 1 46 LYS H . . 5.600 3.808 3.808 3.808 . 0 0 "[ ]" 1 728 1 46 LYS H 1 46 LYS QD . . 5.500 4.189 4.189 4.189 . 0 0 "[ ]" 1 729 1 46 LYS H 1 47 ASP H . . 4.600 2.672 2.672 2.672 . 0 0 "[ ]" 1 730 1 46 LYS H 1 47 ASP HB2 . . 6.500 5.578 5.578 5.578 . 0 0 "[ ]" 1 731 1 46 LYS H 1 48 ALA H . . 4.500 4.156 4.156 4.156 . 0 0 "[ ]" 1 732 1 46 LYS H 1 48 ALA HA . . 6.500 6.581 6.581 6.581 0.081 1 0 "[ ]" 1 733 1 46 LYS H 1 49 CYS H . . 5.400 5.303 5.303 5.303 . 0 0 "[ ]" 1 734 1 46 LYS HA 1 46 LYS QD . . 4.200 3.221 3.221 3.221 . 0 0 "[ ]" 1 735 1 46 LYS HA 1 47 ASP H . . 4.000 3.587 3.587 3.587 . 0 0 "[ ]" 1 736 1 46 LYS QB 1 47 ASP H . . 4.500 2.159 2.159 2.159 . 0 0 "[ ]" 1 737 1 46 LYS QB 1 48 ALA H . . 5.900 4.766 4.766 4.766 . 0 0 "[ ]" 1 738 1 46 LYS QD 1 47 ASP H . . 4.600 2.676 2.676 2.676 . 0 0 "[ ]" 1 739 1 46 LYS QD 1 47 ASP HB3 . . 4.300 3.591 3.591 3.591 . 0 0 "[ ]" 1 740 1 46 LYS QD 1 48 ALA H . . 5.700 4.893 4.893 4.893 . 0 0 "[ ]" 1 741 1 46 LYS QG 1 47 ASP H . . 4.300 3.868 3.868 3.868 . 0 0 "[ ]" 1 742 1 46 LYS QG 1 47 ASP HA . . 7.100 5.306 5.306 5.306 . 0 0 "[ ]" 1 743 1 47 ASP H 1 47 ASP HB2 . . 3.900 3.025 3.025 3.025 . 0 0 "[ ]" 1 744 1 47 ASP H 1 47 ASP HB3 . . 3.700 3.918 3.918 3.918 0.218 1 0 "[ ]" 1 745 1 47 ASP H 1 48 ALA H . . 3.700 2.901 2.901 2.901 . 0 0 "[ ]" 1 746 1 47 ASP H 1 48 ALA MB . . 5.000 3.755 3.755 3.755 . 0 0 "[ ]" 1 747 1 47 ASP H 1 49 CYS H . . 5.100 5.125 5.125 5.125 0.025 1 0 "[ ]" 1 748 1 47 ASP HA 1 48 ALA H . . 4.300 2.366 2.366 2.366 . 0 0 "[ ]" 1 749 1 47 ASP HA 1 49 CYS H . . 5.900 5.276 5.276 5.276 . 0 0 "[ ]" 1 750 1 47 ASP HA 1 51 THR MG . . 5.400 2.187 2.187 2.187 . 0 0 "[ ]" 1 751 1 47 ASP HB2 1 48 ALA H . . 4.600 4.574 4.574 4.574 . 0 0 "[ ]" 1 752 1 47 ASP HB2 1 48 ALA MB . . 6.700 4.999 4.999 4.999 . 0 0 "[ ]" 1 753 1 47 ASP HB3 1 48 ALA H . . 4.600 4.259 4.259 4.259 . 0 0 "[ ]" 1 754 1 48 ALA H 1 48 ALA MB . . 3.500 2.821 2.821 2.821 . 0 0 "[ ]" 1 755 1 48 ALA H 1 49 CYS H . . 3.600 2.926 2.926 2.926 . 0 0 "[ ]" 1 756 1 48 ALA H 1 49 CYS HA . . 6.500 4.770 4.770 4.770 . 0 0 "[ ]" 1 757 1 48 ALA H 1 50 LYS H . . 5.300 3.386 3.386 3.386 . 0 0 "[ ]" 1 758 1 48 ALA HA 1 49 CYS H . . 4.500 3.568 3.568 3.568 . 0 0 "[ ]" 1 759 1 48 ALA MB 1 49 CYS H . . 4.300 2.065 2.065 2.065 . 0 0 "[ ]" 1 760 1 48 ALA MB 1 49 CYS HB2 . . 7.500 4.269 4.269 4.269 . 0 0 "[ ]" 1 761 1 48 ALA MB 1 50 LYS H . . 7.300 4.172 4.172 4.172 . 0 0 "[ ]" 1 762 1 49 CYS H 1 50 LYS H . . 4.100 2.687 2.687 2.687 . 0 0 "[ ]" 1 763 1 49 CYS H 1 51 THR H . . 4.700 4.610 4.610 4.610 . 0 0 "[ ]" 1 764 1 49 CYS HA 1 50 LYS H . . 5.600 3.583 3.583 3.583 . 0 0 "[ ]" 1 765 1 49 CYS HA 1 51 THR H . . 6.500 3.902 3.902 3.902 . 0 0 "[ ]" 1 766 1 49 CYS HA 1 52 CYS H . . 6.500 4.230 4.230 4.230 . 0 0 "[ ]" 1 767 1 49 CYS HB2 1 50 LYS H . . 3.900 2.213 2.213 2.213 . 0 0 "[ ]" 1 768 1 49 CYS HB3 1 50 LYS H . . 3.800 3.551 3.551 3.551 . 0 0 "[ ]" 1 769 1 50 LYS H 1 51 THR H . . 4.500 3.268 3.268 3.268 . 0 0 "[ ]" 1 770 1 50 LYS HA 1 51 THR H . . 5.100 2.781 2.781 2.781 . 0 0 "[ ]" 1 771 1 50 LYS HA 1 51 THR HB . . 5.900 5.096 5.096 5.096 . 0 0 "[ ]" 1 772 1 50 LYS HA 1 52 CYS H . . 6.300 4.708 4.708 4.708 . 0 0 "[ ]" 1 773 1 50 LYS HA 1 53 HIS H . . 5.200 3.877 3.877 3.877 . 0 0 "[ ]" 1 774 1 50 LYS HA 1 53 HIS HD1 . . 5.000 4.114 4.114 4.114 . 0 0 "[ ]" 1 775 1 51 THR H 1 51 THR HB . . 3.700 3.167 3.167 3.167 . 0 0 "[ ]" 1 776 1 51 THR H 1 52 CYS H . . 4.300 2.033 2.033 2.033 . 0 0 "[ ]" 1 777 1 51 THR H 1 52 CYS HA . . 6.100 4.492 4.492 4.492 . 0 0 "[ ]" 1 778 1 51 THR H 1 52 CYS HB3 . . 5.600 4.467 4.467 4.467 . 0 0 "[ ]" 1 779 1 51 THR H 1 53 HIS H . . 5.700 2.919 2.919 2.919 . 0 0 "[ ]" 1 780 1 51 THR H 1 54 LYS H . . 5.700 4.222 4.222 4.222 . 0 0 "[ ]" 1 781 1 51 THR H 1 54 LYS HD2 . . 4.900 4.993 4.993 4.993 0.093 1 0 "[ ]" 1 782 1 51 THR HA 1 52 CYS H . . 4.100 3.594 3.594 3.594 . 0 0 "[ ]" 1 783 1 51 THR HA 1 52 CYS HB2 . . 6.500 5.522 5.522 5.522 . 0 0 "[ ]" 1 784 1 51 THR HB 1 52 CYS H . . 4.800 3.636 3.636 3.636 . 0 0 "[ ]" 1 785 1 51 THR HB 1 52 CYS HB2 . . 6.500 5.551 5.551 5.551 . 0 0 "[ ]" 1 786 1 51 THR HB 1 53 HIS H . . 6.300 5.803 5.803 5.803 . 0 0 "[ ]" 1 787 1 51 THR MG 1 52 CYS H . . 6.400 1.996 1.996 1.996 . 0 0 "[ ]" 1 788 1 51 THR MG 1 52 CYS HA . . 6.600 3.236 3.236 3.236 . 0 0 "[ ]" 1 789 1 51 THR MG 1 52 CYS HB3 . . 7.300 4.557 4.557 4.557 . 0 0 "[ ]" 1 790 1 51 THR MG 1 54 LYS H . . 7.500 5.105 5.105 5.105 . 0 0 "[ ]" 1 791 1 52 CYS H 1 52 CYS HB2 . . 3.800 2.021 2.021 2.021 . 0 0 "[ ]" 1 792 1 52 CYS H 1 52 CYS HB3 . . 3.700 3.268 3.268 3.268 . 0 0 "[ ]" 1 793 1 52 CYS H 1 53 HIS H . . 4.300 2.941 2.941 2.941 . 0 0 "[ ]" 1 794 1 52 CYS HA 1 53 HIS H . . 5.600 3.597 3.597 3.597 . 0 0 "[ ]" 1 795 1 52 CYS HB2 1 53 HIS H . . 4.500 2.926 2.926 2.926 . 0 0 "[ ]" 1 796 1 52 CYS HB2 1 53 HIS HD1 . . 6.500 6.490 6.490 6.490 . 0 0 "[ ]" 1 797 1 53 HIS H 1 53 HIS HD1 . . 5.600 4.371 4.371 4.371 . 0 0 "[ ]" 1 798 1 53 HIS H 1 53 HIS HE1 . . 6.300 5.470 5.470 5.470 . 0 0 "[ ]" 1 799 1 53 HIS H 1 54 LYS H . . 4.900 2.918 2.918 2.918 . 0 0 "[ ]" 1 800 1 53 HIS H 1 54 LYS QB . . 6.200 4.973 4.973 4.973 . 0 0 "[ ]" 1 801 1 53 HIS H 1 54 LYS HG3 . . 5.100 4.501 4.501 4.501 . 0 0 "[ ]" 1 802 1 53 HIS HA 1 54 LYS H . . 4.800 3.499 3.499 3.499 . 0 0 "[ ]" 1 803 1 54 LYS H 1 54 LYS HD3 . . 3.800 3.433 3.433 3.433 . 0 0 "[ ]" 1 804 1 54 LYS H 1 54 LYS QE . . 6.700 4.656 4.656 4.656 . 0 0 "[ ]" 1 805 1 54 LYS H 1 54 LYS HG2 . . 4.000 3.661 3.661 3.661 . 0 0 "[ ]" 1 806 1 54 LYS H 1 54 LYS HG3 . . 4.800 2.237 2.237 2.237 . 0 0 "[ ]" 1 807 1 54 LYS H 1 55 SER H . . 4.100 3.031 3.031 3.031 . 0 0 "[ ]" 1 808 1 54 LYS HA 1 54 LYS HD2 . . 4.300 4.649 4.649 4.649 0.349 1 0 "[ ]" 1 809 1 54 LYS HA 1 54 LYS HD3 . . 4.700 4.409 4.409 4.409 . 0 0 "[ ]" 1 810 1 54 LYS HA 1 54 LYS HG2 . . 3.600 2.555 2.555 2.555 . 0 0 "[ ]" 1 811 1 54 LYS HA 1 54 LYS HG3 . . 3.300 2.608 2.608 2.608 . 0 0 "[ ]" 1 812 1 54 LYS HA 1 55 SER H . . 4.600 3.597 3.597 3.597 . 0 0 "[ ]" 1 813 1 54 LYS HA 1 56 ASN H . . 5.100 4.128 4.128 4.128 . 0 0 "[ ]" 1 814 1 54 LYS QB 1 54 LYS HD2 . . 3.100 3.336 3.336 3.336 0.236 1 0 "[ ]" 1 815 1 54 LYS QB 1 54 LYS HD3 . . 2.800 2.263 2.263 2.263 . 0 0 "[ ]" 1 816 1 54 LYS QB 1 54 LYS HG2 . . 2.700 2.300 2.300 2.300 . 0 0 "[ ]" 1 817 1 54 LYS QB 1 55 SER H . . 4.700 2.413 2.413 2.413 . 0 0 "[ ]" 1 818 1 54 LYS HD2 1 54 LYS HG2 . . 2.600 2.524 2.524 2.524 . 0 0 "[ ]" 1 819 1 54 LYS HD3 1 54 LYS HG2 . . 2.700 3.032 3.032 3.032 0.332 1 0 "[ ]" 1 820 1 55 SER H 1 55 SER HB2 . . 4.200 2.557 2.557 2.557 . 0 0 "[ ]" 1 821 1 55 SER H 1 55 SER HB3 . . 4.400 3.585 3.585 3.585 . 0 0 "[ ]" 1 822 1 55 SER H 1 56 ASN H . . 3.600 2.641 2.641 2.641 . 0 0 "[ ]" 1 823 1 55 SER HA 1 56 ASN H . . 4.700 3.364 3.364 3.364 . 0 0 "[ ]" 1 824 1 55 SER HB2 1 56 ASN H . . 5.600 3.526 3.526 3.526 . 0 0 "[ ]" 1 825 1 55 SER HB2 1 56 ASN HD21 . . 6.100 3.601 3.601 3.601 . 0 0 "[ ]" 1 826 1 55 SER HB3 1 56 ASN H . . 6.100 4.382 4.382 4.382 . 0 0 "[ ]" 1 827 1 55 SER HB3 1 56 ASN QB . . 6.000 5.767 5.767 5.767 . 0 0 "[ ]" 1 828 1 56 ASN H 1 57 ASN H . . 5.200 2.230 2.230 2.230 . 0 0 "[ ]" 1 829 1 56 ASN HA 1 57 ASN H . . 4.000 3.626 3.626 3.626 . 0 0 "[ ]" 1 830 1 56 ASN QB 1 57 ASN H . . 5.100 2.555 2.555 2.555 . 0 0 "[ ]" 1 831 1 56 ASN HD21 1 57 ASN H . . 4.700 4.461 4.461 4.461 . 0 0 "[ ]" 1 832 1 57 ASN H 1 57 ASN HB2 . . 3.700 3.390 3.390 3.390 . 0 0 "[ ]" 1 833 1 57 ASN HB2 1 57 ASN HD22 . . 4.000 3.738 3.738 3.738 . 0 0 "[ ]" 1 834 1 59 PRO HA 1 60 THR H . . 4.000 2.259 2.259 2.259 . 0 0 "[ ]" 1 835 1 59 PRO HA 1 60 THR MG . . 4.500 3.812 3.812 3.812 . 0 0 "[ ]" 1 836 1 59 PRO HA 1 61 LYS H . . 4.400 4.385 4.385 4.385 . 0 0 "[ ]" 1 837 1 60 THR H 1 61 LYS H . . 3.300 2.418 2.418 2.418 . 0 0 "[ ]" 1 838 1 60 THR H 1 61 LYS QG . . 5.300 4.288 4.288 4.288 . 0 0 "[ ]" 1 839 1 60 THR H 1 62 CYS H . . 4.600 4.682 4.682 4.682 0.082 1 0 "[ ]" 1 840 1 60 THR HA 1 61 LYS H . . 4.200 3.505 3.505 3.505 . 0 0 "[ ]" 1 841 1 60 THR MG 1 61 LYS H . . 7.500 3.737 3.737 3.737 . 0 0 "[ ]" 1 842 1 61 LYS H 1 61 LYS QD . . 5.000 4.090 4.090 4.090 . 0 0 "[ ]" 1 843 1 61 LYS HA 1 62 CYS H . . 3.700 3.541 3.541 3.541 . 0 0 "[ ]" 1 844 1 61 LYS QB 1 62 CYS H . . 5.500 1.956 1.956 1.956 . 0 0 "[ ]" 1 845 1 61 LYS QD 1 62 CYS H . . 5.500 4.212 4.212 4.212 . 0 0 "[ ]" 1 846 1 61 LYS QG 1 62 CYS H . . 6.700 3.856 3.856 3.856 . 0 0 "[ ]" 1 847 1 62 CYS H 1 62 CYS HB2 . . 4.000 2.943 2.943 2.943 . 0 0 "[ ]" 1 848 1 62 CYS H 1 62 CYS HB3 . . 4.400 3.907 3.907 3.907 . 0 0 "[ ]" 1 849 1 62 CYS H 1 63 GLY H . . 4.600 4.220 4.220 4.220 . 0 0 "[ ]" 1 850 1 62 CYS HA 1 63 GLY H . . 4.900 2.906 2.906 2.906 . 0 0 "[ ]" 1 851 1 62 CYS HA 1 64 GLY H . . 6.000 3.586 3.586 3.586 . 0 0 "[ ]" 1 852 1 62 CYS HA 1 65 CYS H . . 6.500 4.681 4.681 4.681 . 0 0 "[ ]" 1 853 1 62 CYS HB2 1 63 GLY H . . 4.000 2.448 2.448 2.448 . 0 0 "[ ]" 1 854 1 62 CYS HB3 1 63 GLY H . . 4.400 2.038 2.038 2.038 . 0 0 "[ ]" 1 855 1 62 CYS HB3 1 63 GLY HA3 . . 5.600 4.679 4.679 4.679 . 0 0 "[ ]" 1 856 1 63 GLY H 1 64 GLY H . . 3.700 3.289 3.289 3.289 . 0 0 "[ ]" 1 857 1 63 GLY H 1 64 GLY HA2 . . 5.900 5.596 5.596 5.596 . 0 0 "[ ]" 1 858 1 63 GLY H 1 65 CYS H . . 5.400 3.772 3.772 3.772 . 0 0 "[ ]" 1 859 1 63 GLY H 1 66 HIS H . . 6.500 3.789 3.789 3.789 . 0 0 "[ ]" 1 860 1 63 GLY H 1 68 LYS H . . 5.800 4.980 4.980 4.980 . 0 0 "[ ]" 1 861 1 63 GLY HA2 1 66 HIS H . . 4.600 4.279 4.279 4.279 . 0 0 "[ ]" 1 862 1 63 GLY HA3 1 64 GLY H . . 4.900 2.775 2.775 2.775 . 0 0 "[ ]" 1 863 1 64 GLY H 1 65 CYS H . . 4.100 3.114 3.114 3.114 . 0 0 "[ ]" 1 864 1 64 GLY H 1 65 CYS HB2 . . 6.500 5.578 5.578 5.578 . 0 0 "[ ]" 1 865 1 64 GLY H 1 66 HIS H . . 4.800 4.835 4.835 4.835 0.035 1 0 "[ ]" 1 866 1 64 GLY HA2 1 65 CYS H . . 4.300 3.562 3.562 3.562 . 0 0 "[ ]" 1 867 1 64 GLY HA3 1 65 CYS H . . 4.800 2.747 2.747 2.747 . 0 0 "[ ]" 1 868 1 65 CYS H 1 65 CYS HB2 . . 4.100 2.618 2.618 2.618 . 0 0 "[ ]" 1 869 1 65 CYS H 1 65 CYS HB3 . . 4.100 3.749 3.749 3.749 . 0 0 "[ ]" 1 870 1 65 CYS H 1 66 HIS H . . 4.100 2.226 2.226 2.226 . 0 0 "[ ]" 1 871 1 65 CYS H 1 66 HIS HA . . 6.500 4.865 4.865 4.865 . 0 0 "[ ]" 1 872 1 65 CYS H 1 66 HIS HB3 . . 5.800 5.649 5.649 5.649 . 0 0 "[ ]" 1 873 1 65 CYS H 1 67 ILE QG . . 7.000 6.239 6.239 6.239 . 0 0 "[ ]" 1 874 1 65 CYS HA 1 66 HIS H . . 5.800 3.618 3.618 3.618 . 0 0 "[ ]" 1 875 1 65 CYS HB2 1 66 HIS H . . 4.900 2.260 2.260 2.260 . 0 0 "[ ]" 1 876 1 65 CYS HB3 1 66 HIS H . . 3.500 3.566 3.566 3.566 0.066 1 0 "[ ]" 1 877 1 66 HIS H 1 66 HIS HD1 . . 6.500 4.648 4.648 4.648 . 0 0 "[ ]" 1 878 1 66 HIS H 1 67 ILE H . . 4.800 4.474 4.474 4.474 . 0 0 "[ ]" 1 879 1 66 HIS HA 1 66 HIS HD1 . . 4.400 3.016 3.016 3.016 . 0 0 "[ ]" 1 880 1 66 HIS HA 1 67 ILE H . . 3.500 2.268 2.268 2.268 . 0 0 "[ ]" 1 881 1 66 HIS HA 1 67 ILE HA . . 6.500 4.513 4.513 4.513 . 0 0 "[ ]" 1 882 1 66 HIS HA 1 67 ILE HB . . 6.200 4.838 4.838 4.838 . 0 0 "[ ]" 1 883 1 66 HIS HD1 1 67 ILE H . . 6.500 4.813 4.813 4.813 . 0 0 "[ ]" 1 884 1 67 ILE H 1 67 ILE HB . . 3.800 2.595 2.595 2.595 . 0 0 "[ ]" 1 885 1 67 ILE H 1 67 ILE MD . . 5.800 3.056 3.056 3.056 . 0 0 "[ ]" 1 886 1 67 ILE H 1 68 LYS H . . 5.100 3.908 3.908 3.908 . 0 0 "[ ]" 1 887 1 67 ILE HA 1 68 LYS H . . 3.000 2.437 2.437 2.437 . 0 0 "[ ]" 1 888 1 67 ILE HB 1 68 LYS H . . 4.600 4.565 4.565 4.565 . 0 0 "[ ]" 1 889 1 67 ILE MD 1 68 LYS H . . 6.100 4.174 4.174 4.174 . 0 0 "[ ]" 1 890 1 67 ILE QG 1 68 LYS H . . 5.600 4.975 4.975 4.975 . 0 0 "[ ]" 1 891 1 67 ILE MG 1 68 LYS H . . 4.900 3.890 3.890 3.890 . 0 0 "[ ]" 1 892 1 68 LYS H 1 68 LYS HA . . 2.900 2.851 2.851 2.851 . 0 0 "[ ]" 1 893 1 68 LYS H 1 68 LYS QD . . 5.600 5.030 5.030 5.030 . 0 0 "[ ]" 1 stop_ save_
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