NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
370331 | 1bqx | 4229 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1bqx 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 936 _Distance_constraint_stats_list.Viol_count 89 _Distance_constraint_stats_list.Viol_total 5.275 _Distance_constraint_stats_list.Viol_max 0.248 _Distance_constraint_stats_list.Viol_rms 0.0240 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0056 _Distance_constraint_stats_list.Viol_average_violations_only 0.0593 _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 ALA 0.000 0.000 . 0 "[ ]" 1 2 TYR 0.031 0.031 1 0 "[ ]" 1 3 VAL 0.148 0.128 1 0 "[ ]" 1 4 ILE 0.095 0.095 1 0 "[ ]" 1 5 THR 0.000 0.000 . 0 "[ ]" 1 6 GLU 0.288 0.116 1 0 "[ ]" 1 7 PRO 0.025 0.025 1 0 "[ ]" 1 8 CYS 0.000 0.000 . 0 "[ ]" 1 9 ILE 0.122 0.061 1 0 "[ ]" 1 10 GLY 0.000 0.000 . 0 "[ ]" 1 11 THR 0.092 0.069 1 0 "[ ]" 1 12 LYS 0.000 0.000 . 0 "[ ]" 1 13 CYS 0.075 0.075 1 0 "[ ]" 1 14 ALA 0.000 0.000 . 0 "[ ]" 1 15 SER 0.000 0.000 . 0 "[ ]" 1 16 CYS 0.000 0.000 . 0 "[ ]" 1 17 VAL 0.084 0.084 1 0 "[ ]" 1 18 GLU 0.021 0.021 1 0 "[ ]" 1 19 VAL 0.021 0.021 1 0 "[ ]" 1 20 CYS 0.000 0.000 . 0 "[ ]" 1 21 PRO 0.000 0.000 . 0 "[ ]" 1 22 VAL 0.000 0.000 . 0 "[ ]" 1 23 ASP 0.000 0.000 . 0 "[ ]" 1 24 CYS 0.027 0.027 1 0 "[ ]" 1 25 ILE 0.000 0.000 . 0 "[ ]" 1 26 HIS 0.226 0.106 1 0 "[ ]" 1 27 GLU 0.218 0.092 1 0 "[ ]" 1 28 GLY 0.000 0.000 . 0 "[ ]" 1 29 GLU 0.102 0.102 1 0 "[ ]" 1 30 ASP 0.102 0.102 1 0 "[ ]" 1 31 GLN 0.243 0.083 1 0 "[ ]" 1 32 TYR 0.010 0.010 1 0 "[ ]" 1 33 TYR 0.205 0.106 1 0 "[ ]" 1 34 ILE 0.118 0.118 1 0 "[ ]" 1 35 ASP 0.128 0.070 1 0 "[ ]" 1 36 PRO 0.013 0.013 1 0 "[ ]" 1 37 ASP 0.045 0.017 1 0 "[ ]" 1 38 VAL 0.169 0.070 1 0 "[ ]" 1 39 CYS 0.000 0.000 . 0 "[ ]" 1 40 ILE 0.000 0.000 . 0 "[ ]" 1 41 ASP 0.000 0.000 . 0 "[ ]" 1 42 CYS 0.000 0.000 . 0 "[ ]" 1 45 CYS 0.032 0.032 1 0 "[ ]" 1 46 GLU 0.000 0.000 . 0 "[ ]" 1 47 ALA 0.000 0.000 . 0 "[ ]" 1 48 VAL 0.036 0.032 1 0 "[ ]" 1 49 CYS 0.062 0.062 1 0 "[ ]" 1 50 PRO 0.000 0.000 . 0 "[ ]" 1 51 VAL 0.000 0.000 . 0 "[ ]" 1 52 SER 0.000 0.000 . 0 "[ ]" 1 53 ALA 0.000 0.000 . 0 "[ ]" 1 54 ILE 0.062 0.062 1 0 "[ ]" 1 55 TYR 0.237 0.093 1 0 "[ ]" 1 56 HIS 0.295 0.128 1 0 "[ ]" 1 57 GLU 0.310 0.180 1 0 "[ ]" 1 58 ASP 0.174 0.121 1 0 "[ ]" 1 59 PHE 0.578 0.180 1 0 "[ ]" 1 60 VAL 0.027 0.027 1 0 "[ ]" 1 61 PRO 0.012 0.012 1 0 "[ ]" 1 62 GLU 0.332 0.248 1 0 "[ ]" 1 63 GLU 0.048 0.039 1 0 "[ ]" 1 64 TRP 0.146 0.116 1 0 "[ ]" 1 65 LYS 0.276 0.201 1 0 "[ ]" 1 66 SER 0.107 0.090 1 0 "[ ]" 1 67 TYR 0.190 0.128 1 0 "[ ]" 1 68 ILE 0.084 0.028 1 0 "[ ]" 1 69 GLN 0.010 0.010 1 0 "[ ]" 1 70 LYS 0.301 0.074 1 0 "[ ]" 1 71 ASN 0.331 0.128 1 0 "[ ]" 1 72 ARG 0.771 0.228 1 0 "[ ]" 1 73 ASP 0.538 0.207 1 0 "[ ]" 1 74 PHE 0.047 0.033 1 0 "[ ]" 1 75 PHE 0.422 0.228 1 0 "[ ]" 1 76 LYS 0.255 0.207 1 0 "[ ]" 1 77 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 1 ALA HA 1 39 CYS HB3 . . 4.300 3.719 3.719 3.719 . 0 0 "[ ]" 1 2 1 1 ALA HA 1 41 ASP H . . 4.500 3.025 3.025 3.025 . 0 0 "[ ]" 1 3 1 1 ALA MB 1 36 PRO HA . . 3.800 2.100 2.100 2.100 . 0 0 "[ ]" 1 4 1 1 ALA MB 1 36 PRO HB3 . . 4.100 2.606 2.606 2.606 . 0 0 "[ ]" 1 5 1 1 ALA MB 1 39 CYS HB3 . . 3.940 2.219 2.219 2.219 . 0 0 "[ ]" 1 6 1 2 TYR H 1 39 CYS HB3 . . 3.500 3.369 3.369 3.369 . 0 0 "[ ]" 1 7 1 2 TYR HA 1 3 VAL H . . 2.900 2.163 2.163 2.163 . 0 0 "[ ]" 1 8 1 2 TYR HA 1 3 VAL HB . . 4.600 4.501 4.501 4.501 . 0 0 "[ ]" 1 9 1 2 TYR HA 1 3 VAL QG . . 7.800 3.167 3.167 3.167 . 0 0 "[ ]" 1 10 1 2 TYR HA 1 56 HIS H . . 5.700 4.290 4.290 4.290 . 0 0 "[ ]" 1 11 1 2 TYR HA 1 56 HIS HA . . 2.400 2.111 2.111 2.111 . 0 0 "[ ]" 1 12 1 2 TYR HA 1 56 HIS HD2 . . 6.000 3.471 3.471 3.471 . 0 0 "[ ]" 1 13 1 2 TYR HA 1 57 GLU H . . 3.100 3.131 3.131 3.131 0.031 1 0 "[ ]" 1 14 1 2 TYR QR 1 41 ASP H . . 4.800 4.249 4.249 4.249 . 0 0 "[ ]" 1 15 1 2 TYR QD 1 46 GLU HA . . 8.000 5.458 5.458 5.458 . 0 0 "[ ]" 1 16 1 2 TYR QD 1 46 GLU HB2 . . 8.000 3.219 3.219 3.219 . 0 0 "[ ]" 1 17 1 2 TYR QD 1 46 GLU HB3 . . 8.000 4.224 4.224 4.224 . 0 0 "[ ]" 1 18 1 2 TYR QD 1 56 HIS H . . 8.000 4.009 4.009 4.009 . 0 0 "[ ]" 1 19 1 2 TYR QD 1 56 HIS HB2 . . 8.000 4.527 4.527 4.527 . 0 0 "[ ]" 1 20 1 2 TYR HE2 1 46 GLU HB2 . . 5.000 4.209 4.209 4.209 . 0 0 "[ ]" 1 21 1 2 TYR HE2 1 46 GLU QB . . 4.770 3.846 3.846 3.846 . 0 0 "[ ]" 1 22 1 2 TYR HE2 1 46 GLU HB3 . . 5.000 4.449 4.449 4.449 . 0 0 "[ ]" 1 23 1 3 VAL H 1 3 VAL HB . . 2.800 2.807 2.807 2.807 0.007 1 0 "[ ]" 1 24 1 3 VAL H 1 4 ILE H . . 5.200 4.464 4.464 4.464 . 0 0 "[ ]" 1 25 1 3 VAL H 1 55 TYR H . . 3.100 3.113 3.113 3.113 0.013 1 0 "[ ]" 1 26 1 3 VAL H 1 55 TYR HB2 . . 6.000 4.789 4.789 4.789 . 0 0 "[ ]" 1 27 1 3 VAL H 1 55 TYR QD . . 8.000 5.970 5.970 5.970 . 0 0 "[ ]" 1 28 1 3 VAL H 1 55 TYR O . . 2.400 1.769 1.769 1.769 . 0 0 "[ ]" 1 29 1 3 VAL H 1 56 HIS HA . . 3.300 3.428 3.428 3.428 0.128 1 0 "[ ]" 1 30 1 3 VAL H 1 57 GLU H . . 4.800 3.910 3.910 3.910 . 0 0 "[ ]" 1 31 1 3 VAL H 1 60 VAL QG . . 8.400 3.723 3.723 3.723 . 0 0 "[ ]" 1 32 1 3 VAL HA 1 4 ILE H . . 2.800 2.204 2.204 2.204 . 0 0 "[ ]" 1 33 1 3 VAL HA 1 34 ILE H . . 5.800 4.159 4.159 4.159 . 0 0 "[ ]" 1 34 1 3 VAL HB 1 4 ILE H . . 5.200 3.937 3.937 3.937 . 0 0 "[ ]" 1 35 1 3 VAL HB 1 55 TYR H . . 6.000 4.483 4.483 4.483 . 0 0 "[ ]" 1 36 1 3 VAL HB 1 57 GLU HA . . 5.000 3.290 3.290 3.290 . 0 0 "[ ]" 1 37 1 3 VAL HB 1 57 GLU HB2 . . 6.000 4.629 4.629 4.629 . 0 0 "[ ]" 1 38 1 3 VAL HB 1 57 GLU QB . . 5.320 3.636 3.636 3.636 . 0 0 "[ ]" 1 39 1 3 VAL HB 1 57 GLU HB3 . . 6.000 3.803 3.803 3.803 . 0 0 "[ ]" 1 40 1 3 VAL HB 1 68 ILE QG . . 4.380 2.740 2.740 2.740 . 0 0 "[ ]" 1 41 1 3 VAL HB 1 68 ILE MG . . 6.700 4.552 4.552 4.552 . 0 0 "[ ]" 1 42 1 3 VAL QG 1 4 ILE H . . 6.200 2.327 2.327 2.327 . 0 0 "[ ]" 1 43 1 3 VAL QG 1 5 THR MG . . 7.300 3.580 3.580 3.580 . 0 0 "[ ]" 1 44 1 3 VAL QG 1 55 TYR H . . 8.400 4.619 4.619 4.619 . 0 0 "[ ]" 1 45 1 3 VAL QG 1 57 GLU H . . 7.600 3.032 3.032 3.032 . 0 0 "[ ]" 1 46 1 3 VAL QG 1 57 GLU QB . . 7.780 2.139 2.139 2.139 . 0 0 "[ ]" 1 47 1 3 VAL QG 1 67 TYR H . . 8.400 5.423 5.423 5.423 . 0 0 "[ ]" 1 48 1 3 VAL QG 1 67 TYR HB2 . . 8.400 3.930 3.930 3.930 . 0 0 "[ ]" 1 49 1 3 VAL QG 1 67 TYR HB3 . . 6.700 3.419 3.419 3.419 . 0 0 "[ ]" 1 50 1 3 VAL QG 1 68 ILE H . . 7.600 4.049 4.049 4.049 . 0 0 "[ ]" 1 51 1 3 VAL QG 1 68 ILE HA . . 5.200 2.136 2.136 2.136 . 0 0 "[ ]" 1 52 1 3 VAL QG 1 68 ILE HB . . 8.400 4.182 4.182 4.182 . 0 0 "[ ]" 1 53 1 3 VAL QG 1 68 ILE MD . . 6.000 2.258 2.258 2.258 . 0 0 "[ ]" 1 54 1 3 VAL QG 1 68 ILE QG . . 8.880 2.261 2.261 2.261 . 0 0 "[ ]" 1 55 1 3 VAL QG 1 71 ASN H . . 6.500 3.861 3.861 3.861 . 0 0 "[ ]" 1 56 1 3 VAL QG 1 71 ASN QD . . 9.400 2.527 2.527 2.527 . 0 0 "[ ]" 1 57 1 3 VAL N 1 55 TYR O . . 3.300 2.786 2.786 2.786 . 0 0 "[ ]" 1 58 1 4 ILE H 1 4 ILE HB . . 3.400 3.495 3.495 3.495 0.095 1 0 "[ ]" 1 59 1 4 ILE H 1 34 ILE H . . 3.700 3.470 3.470 3.470 . 0 0 "[ ]" 1 60 1 4 ILE H 1 71 ASN QD . . 7.000 3.843 3.843 3.843 . 0 0 "[ ]" 1 61 1 4 ILE HA 1 5 THR H . . 3.500 2.578 2.578 2.578 . 0 0 "[ ]" 1 62 1 4 ILE HA 1 5 THR MG . . 7.000 3.665 3.665 3.665 . 0 0 "[ ]" 1 63 1 4 ILE HA 1 8 CYS HB3 . . 5.000 4.770 4.770 4.770 . 0 0 "[ ]" 1 64 1 4 ILE HA 1 54 ILE HA . . 3.300 2.591 2.591 2.591 . 0 0 "[ ]" 1 65 1 4 ILE HB 1 31 GLN HE21 . . 6.000 4.260 4.260 4.260 . 0 0 "[ ]" 1 66 1 4 ILE HB 1 31 GLN HE22 . . 6.000 3.763 3.763 3.763 . 0 0 "[ ]" 1 67 1 4 ILE HB 1 33 TYR HA . . 5.800 4.839 4.839 4.839 . 0 0 "[ ]" 1 68 1 4 ILE HB 1 71 ASN QD . . 7.000 4.684 4.684 4.684 . 0 0 "[ ]" 1 69 1 5 THR H 1 5 THR MG . . 4.100 3.321 3.321 3.321 . 0 0 "[ ]" 1 70 1 5 THR HA 1 5 THR HB . . 2.800 2.486 2.486 2.486 . 0 0 "[ ]" 1 71 1 5 THR HA 1 5 THR MG . . 3.400 2.279 2.279 2.279 . 0 0 "[ ]" 1 72 1 5 THR HA 1 67 TYR HB3 . . 4.300 3.034 3.034 3.034 . 0 0 "[ ]" 1 73 1 5 THR HA 1 67 TYR QD . . 6.100 3.216 3.216 3.216 . 0 0 "[ ]" 1 74 1 5 THR HA 1 67 TYR QE . . 8.000 4.262 4.262 4.262 . 0 0 "[ ]" 1 75 1 5 THR HB 1 6 GLU HB3 . . 3.800 3.251 3.251 3.251 . 0 0 "[ ]" 1 76 1 5 THR HB 1 64 TRP HA . . 6.000 4.786 4.786 4.786 . 0 0 "[ ]" 1 77 1 5 THR HB 1 64 TRP HB2 . . 6.000 4.081 4.081 4.081 . 0 0 "[ ]" 1 78 1 5 THR HB 1 64 TRP HD1 . . 6.000 4.873 4.873 4.873 . 0 0 "[ ]" 1 79 1 5 THR HB 1 64 TRP HE1 . . 6.000 5.213 5.213 5.213 . 0 0 "[ ]" 1 80 1 5 THR HB 1 64 TRP HE3 . . 3.700 3.150 3.150 3.150 . 0 0 "[ ]" 1 81 1 5 THR HB 1 67 TYR QD . . 7.000 3.288 3.288 3.288 . 0 0 "[ ]" 1 82 1 5 THR HB 1 67 TYR QE . . 7.200 3.978 3.978 3.978 . 0 0 "[ ]" 1 83 1 5 THR MG 1 55 TYR H . . 4.700 3.694 3.694 3.694 . 0 0 "[ ]" 1 84 1 5 THR MG 1 55 TYR QD . . 6.700 3.908 3.908 3.908 . 0 0 "[ ]" 1 85 1 5 THR MG 1 55 TYR QE . . 7.800 5.403 5.403 5.403 . 0 0 "[ ]" 1 86 1 5 THR MG 1 60 VAL HA . . 4.900 3.667 3.667 3.667 . 0 0 "[ ]" 1 87 1 5 THR MG 1 60 VAL QG . . 6.700 1.755 1.755 1.755 . 0 0 "[ ]" 1 88 1 5 THR MG 1 61 PRO HD2 . . 5.400 3.681 3.681 3.681 . 0 0 "[ ]" 1 89 1 5 THR MG 1 64 TRP HA . . 7.000 4.496 4.496 4.496 . 0 0 "[ ]" 1 90 1 5 THR MG 1 64 TRP HB2 . . 5.600 3.334 3.334 3.334 . 0 0 "[ ]" 1 91 1 5 THR MG 1 64 TRP HB3 . . 4.600 2.502 2.502 2.502 . 0 0 "[ ]" 1 92 1 5 THR MG 1 64 TRP HE3 . . 5.700 2.595 2.595 2.595 . 0 0 "[ ]" 1 93 1 5 THR MG 1 67 TYR H . . 7.000 4.559 4.559 4.559 . 0 0 "[ ]" 1 94 1 5 THR MG 1 67 TYR HB2 . . 4.100 2.797 2.797 2.797 . 0 0 "[ ]" 1 95 1 5 THR MG 1 67 TYR HB3 . . 4.400 3.704 3.704 3.704 . 0 0 "[ ]" 1 96 1 5 THR MG 1 67 TYR QD . . 7.900 3.314 3.314 3.314 . 0 0 "[ ]" 1 97 1 5 THR MG 1 67 TYR QE . . 6.500 4.755 4.755 4.755 . 0 0 "[ ]" 1 98 1 5 THR MG 1 68 ILE MD . . 5.500 2.752 2.752 2.752 . 0 0 "[ ]" 1 99 1 6 GLU HA 1 6 GLU HB2 . . 2.900 2.274 2.274 2.274 . 0 0 "[ ]" 1 100 1 6 GLU HA 1 6 GLU HG2 . . 3.300 3.410 3.410 3.410 0.110 1 0 "[ ]" 1 101 1 6 GLU HA 1 6 GLU QG . . 2.840 2.351 2.351 2.351 . 0 0 "[ ]" 1 102 1 6 GLU HA 1 6 GLU HG3 . . 3.300 2.396 2.396 2.396 . 0 0 "[ ]" 1 103 1 6 GLU HA 1 9 ILE H . . 4.300 3.546 3.546 3.546 . 0 0 "[ ]" 1 104 1 6 GLU HA 1 9 ILE HB . . 3.700 3.761 3.761 3.761 0.061 1 0 "[ ]" 1 105 1 6 GLU HA 1 9 ILE MD . . 4.000 2.025 2.025 2.025 . 0 0 "[ ]" 1 106 1 6 GLU HA 1 9 ILE HG12 . . 5.100 4.595 4.595 4.595 . 0 0 "[ ]" 1 107 1 6 GLU HA 1 9 ILE QG . . 4.630 4.162 4.162 4.162 . 0 0 "[ ]" 1 108 1 6 GLU HA 1 9 ILE HG13 . . 5.100 4.759 4.759 4.759 . 0 0 "[ ]" 1 109 1 6 GLU HA 1 67 TYR QE . . 6.800 3.912 3.912 3.912 . 0 0 "[ ]" 1 110 1 6 GLU HB2 1 6 GLU HG2 . . 3.000 2.966 2.966 2.966 . 0 0 "[ ]" 1 111 1 6 GLU HB2 1 6 GLU QG . . 2.670 2.424 2.424 2.424 . 0 0 "[ ]" 1 112 1 6 GLU HB2 1 6 GLU HG3 . . 3.000 2.571 2.571 2.571 . 0 0 "[ ]" 1 113 1 6 GLU HB2 1 7 PRO QD . . 6.580 3.526 3.526 3.526 . 0 0 "[ ]" 1 114 1 6 GLU HB2 1 7 PRO QG . . 7.000 5.421 5.421 5.421 . 0 0 "[ ]" 1 115 1 6 GLU HB2 1 64 TRP HE1 . . 4.900 3.439 3.439 3.439 . 0 0 "[ ]" 1 116 1 6 GLU HB2 1 64 TRP HH2 . . 6.000 5.203 5.203 5.203 . 0 0 "[ ]" 1 117 1 6 GLU HB2 1 64 TRP HZ2 . . 4.800 4.162 4.162 4.162 . 0 0 "[ ]" 1 118 1 6 GLU HB3 1 7 PRO QG . . 5.200 3.978 3.978 3.978 . 0 0 "[ ]" 1 119 1 6 GLU HB3 1 64 TRP HD1 . . 6.000 4.725 4.725 4.725 . 0 0 "[ ]" 1 120 1 6 GLU HB3 1 64 TRP HE1 . . 6.000 3.387 3.387 3.387 . 0 0 "[ ]" 1 121 1 6 GLU HB3 1 64 TRP HH2 . . 6.000 3.485 3.485 3.485 . 0 0 "[ ]" 1 122 1 6 GLU HB3 1 67 TYR QE . . 6.000 3.747 3.747 3.747 . 0 0 "[ ]" 1 123 1 6 GLU QG 1 9 ILE MD . . 4.880 3.009 3.009 3.009 . 0 0 "[ ]" 1 124 1 6 GLU QG 1 64 TRP HD1 . . 6.880 5.337 5.337 5.337 . 0 0 "[ ]" 1 125 1 6 GLU QG 1 64 TRP HH2 . . 5.380 4.063 4.063 4.063 . 0 0 "[ ]" 1 126 1 6 GLU QG 1 64 TRP HZ2 . . 4.690 2.882 2.882 2.882 . 0 0 "[ ]" 1 127 1 6 GLU QG 1 64 TRP HZ3 . . 6.880 5.710 5.710 5.710 . 0 0 "[ ]" 1 128 1 6 GLU HG2 1 64 TRP HH2 . . 5.600 4.158 4.158 4.158 . 0 0 "[ ]" 1 129 1 6 GLU HG2 1 64 TRP HZ2 . . 5.200 2.919 2.919 2.919 . 0 0 "[ ]" 1 130 1 6 GLU HG3 1 64 TRP HH2 . . 5.600 5.716 5.716 5.716 0.116 1 0 "[ ]" 1 131 1 6 GLU HG3 1 64 TRP HZ2 . . 5.200 4.459 4.459 4.459 . 0 0 "[ ]" 1 132 1 6 GLU O 1 9 ILE H . . 2.400 2.087 2.087 2.087 . 0 0 "[ ]" 1 133 1 6 GLU O 1 9 ILE N . . 3.300 3.076 3.076 3.076 . 0 0 "[ ]" 1 134 1 7 PRO HA 1 9 ILE H . . 3.800 3.825 3.825 3.825 0.025 1 0 "[ ]" 1 135 1 7 PRO QD 1 55 TYR QE . . 8.880 5.630 5.630 5.630 . 0 0 "[ ]" 1 136 1 7 PRO QD 1 64 TRP HE1 . . 6.880 4.870 4.870 4.870 . 0 0 "[ ]" 1 137 1 7 PRO QG 1 55 TYR QE . . 9.000 4.995 4.995 4.995 . 0 0 "[ ]" 1 138 1 7 PRO QG 1 64 TRP HE1 . . 7.000 6.222 6.222 6.222 . 0 0 "[ ]" 1 139 1 7 PRO QG 1 64 TRP HZ3 . . 7.000 3.373 3.373 3.373 . 0 0 "[ ]" 1 140 1 8 CYS H 1 8 CYS HB3 . . 3.500 2.250 2.250 2.250 . 0 0 "[ ]" 1 141 1 8 CYS H 1 9 ILE H . . 3.500 1.911 1.911 1.911 . 0 0 "[ ]" 1 142 1 8 CYS SG 1 13 CYS SG . . 6.380 6.126 6.126 6.126 . 0 0 "[ ]" 1 143 1 8 CYS SG 1 16 CYS SG . . 6.380 5.875 5.875 5.875 . 0 0 "[ ]" 1 144 1 8 CYS SG 1 49 CYS SG . . 6.380 5.873 5.873 5.873 . 0 0 "[ ]" 1 145 1 9 ILE H 1 9 ILE HB . . 2.700 2.147 2.147 2.147 . 0 0 "[ ]" 1 146 1 9 ILE H 1 9 ILE MD . . 4.100 2.152 2.152 2.152 . 0 0 "[ ]" 1 147 1 9 ILE H 1 9 ILE QG . . 3.580 3.194 3.194 3.194 . 0 0 "[ ]" 1 148 1 9 ILE H 1 9 ILE MG . . 4.700 3.624 3.624 3.624 . 0 0 "[ ]" 1 149 1 9 ILE HA 1 9 ILE MD . . 3.900 3.246 3.246 3.246 . 0 0 "[ ]" 1 150 1 9 ILE HA 1 9 ILE HG12 . . 3.600 3.403 3.403 3.403 . 0 0 "[ ]" 1 151 1 9 ILE HA 1 9 ILE HG13 . . 3.600 2.147 2.147 2.147 . 0 0 "[ ]" 1 152 1 9 ILE HA 1 9 ILE MG . . 3.500 2.688 2.688 2.688 . 0 0 "[ ]" 1 153 1 9 ILE HA 1 10 GLY H . . 3.100 2.225 2.225 2.225 . 0 0 "[ ]" 1 154 1 9 ILE HA 1 31 GLN HB2 . . 5.400 3.319 3.319 3.319 . 0 0 "[ ]" 1 155 1 9 ILE HB 1 67 TYR QE . . 8.000 5.961 5.961 5.961 . 0 0 "[ ]" 1 156 1 9 ILE MD 1 31 GLN HB2 . . 6.000 4.309 4.309 4.309 . 0 0 "[ ]" 1 157 1 9 ILE MD 1 31 GLN QG . . 5.980 3.806 3.806 3.806 . 0 0 "[ ]" 1 158 1 9 ILE MD 1 67 TYR QE . . 8.900 2.843 2.843 2.843 . 0 0 "[ ]" 1 159 1 9 ILE QG 1 31 GLN HB2 . . 4.610 3.558 3.558 3.558 . 0 0 "[ ]" 1 160 1 9 ILE QG 1 31 GLN HB3 . . 5.380 2.956 2.956 2.956 . 0 0 "[ ]" 1 161 1 9 ILE QG 1 67 TYR QE . . 6.680 4.222 4.222 4.222 . 0 0 "[ ]" 1 162 1 9 ILE HG12 1 9 ILE MG . . 3.700 2.157 2.157 2.157 . 0 0 "[ ]" 1 163 1 9 ILE HG12 1 31 GLN HB2 . . 5.300 5.335 5.335 5.335 0.035 1 0 "[ ]" 1 164 1 9 ILE HG13 1 9 ILE MG . . 3.700 2.785 2.785 2.785 . 0 0 "[ ]" 1 165 1 9 ILE HG13 1 31 GLN HB2 . . 5.300 3.613 3.613 3.613 . 0 0 "[ ]" 1 166 1 9 ILE MG 1 10 GLY H . . 6.600 2.628 2.628 2.628 . 0 0 "[ ]" 1 167 1 9 ILE MG 1 10 GLY HA2 . . 4.800 3.459 3.459 3.459 . 0 0 "[ ]" 1 168 1 9 ILE MG 1 10 GLY HA3 . . 6.500 4.211 4.211 4.211 . 0 0 "[ ]" 1 169 1 9 ILE MG 1 30 ASP HB2 . . 6.200 4.469 4.469 4.469 . 0 0 "[ ]" 1 170 1 9 ILE MG 1 30 ASP QB . . 5.890 3.676 3.676 3.676 . 0 0 "[ ]" 1 171 1 9 ILE MG 1 30 ASP HB3 . . 6.200 3.910 3.910 3.910 . 0 0 "[ ]" 1 172 1 10 GLY H 1 11 THR H . . 3.900 2.388 2.388 2.388 . 0 0 "[ ]" 1 173 1 10 GLY HA2 1 11 THR H . . 2.900 2.567 2.567 2.567 . 0 0 "[ ]" 1 174 1 11 THR H 1 11 THR HB . . 3.200 3.223 3.223 3.223 0.023 1 0 "[ ]" 1 175 1 11 THR H 1 11 THR MG . . 4.500 3.631 3.631 3.631 . 0 0 "[ ]" 1 176 1 11 THR HA 1 11 THR HB . . 2.900 2.969 2.969 2.969 0.069 1 0 "[ ]" 1 177 1 12 LYS NZ 1 27 GLU HB2 . . 6.000 4.936 4.936 4.936 . 0 0 "[ ]" 1 178 1 13 CYS HA 1 13 CYS HB3 . . 2.900 2.975 2.975 2.975 0.075 1 0 "[ ]" 1 179 1 13 CYS HB3 1 14 ALA HA . . 5.000 4.465 4.465 4.465 . 0 0 "[ ]" 1 180 1 13 CYS HB3 1 31 GLN HA . . 5.000 3.443 3.443 3.443 . 0 0 "[ ]" 1 181 1 13 CYS SG 1 16 CYS SG . . 6.380 5.431 5.431 5.431 . 0 0 "[ ]" 1 182 1 13 CYS SG 1 49 CYS SG . . 6.380 5.874 5.874 5.874 . 0 0 "[ ]" 1 183 1 15 SER H 1 15 SER HB2 . . 4.200 3.068 3.068 3.068 . 0 0 "[ ]" 1 184 1 15 SER HB3 1 48 VAL HB . . 5.700 4.749 4.749 4.749 . 0 0 "[ ]" 1 185 1 16 CYS HA 1 16 CYS HB2 . . 2.800 2.426 2.426 2.426 . 0 0 "[ ]" 1 186 1 16 CYS HB2 1 19 VAL QG . . 6.060 3.840 3.840 3.840 . 0 0 "[ ]" 1 187 1 16 CYS HB2 1 25 ILE QG . . 4.500 4.059 4.059 4.059 . 0 0 "[ ]" 1 188 1 16 CYS HB2 1 25 ILE MG . . 4.100 2.554 2.554 2.554 . 0 0 "[ ]" 1 189 1 16 CYS HB2 1 34 ILE QG . . 4.500 4.082 4.082 4.082 . 0 0 "[ ]" 1 190 1 16 CYS HB2 1 45 CYS HA . . 4.000 3.977 3.977 3.977 . 0 0 "[ ]" 1 191 1 16 CYS HB2 1 45 CYS HB2 . . 2.600 2.533 2.533 2.533 . 0 0 "[ ]" 1 192 1 16 CYS HB2 1 48 VAL QG . . 6.060 4.373 4.373 4.373 . 0 0 "[ ]" 1 193 1 16 CYS HB2 1 54 ILE MD . . 4.400 3.232 3.232 3.232 . 0 0 "[ ]" 1 194 1 16 CYS SG 1 49 CYS SG . . 6.380 5.924 5.924 5.924 . 0 0 "[ ]" 1 195 1 17 VAL HA 1 17 VAL HB . . 2.900 2.984 2.984 2.984 0.084 1 0 "[ ]" 1 196 1 17 VAL HA 1 25 ILE HB . . 6.000 3.316 3.316 3.316 . 0 0 "[ ]" 1 197 1 17 VAL HB 1 18 GLU H . . 4.700 2.037 2.037 2.037 . 0 0 "[ ]" 1 198 1 17 VAL QG 1 18 GLU HB3 . . 7.660 3.011 3.011 3.011 . 0 0 "[ ]" 1 199 1 17 VAL QG 1 18 GLU QG . . 8.140 4.207 4.207 4.207 . 0 0 "[ ]" 1 200 1 17 VAL QG 1 32 TYR HB2 . . 6.960 4.398 4.398 4.398 . 0 0 "[ ]" 1 201 1 18 GLU H 1 18 GLU HB2 . . 3.800 3.559 3.559 3.559 . 0 0 "[ ]" 1 202 1 18 GLU H 1 18 GLU HB3 . . 3.700 2.542 2.542 2.542 . 0 0 "[ ]" 1 203 1 18 GLU H 1 18 GLU HG2 . . 4.500 2.761 2.761 2.761 . 0 0 "[ ]" 1 204 1 18 GLU H 1 18 GLU HG3 . . 4.500 3.737 3.737 3.737 . 0 0 "[ ]" 1 205 1 18 GLU H 1 19 VAL H . . 3.300 3.285 3.285 3.285 . 0 0 "[ ]" 1 206 1 18 GLU HA 1 18 GLU HB2 . . 2.700 2.392 2.392 2.392 . 0 0 "[ ]" 1 207 1 18 GLU HA 1 18 GLU HB3 . . 3.000 2.416 2.416 2.416 . 0 0 "[ ]" 1 208 1 18 GLU HA 1 18 GLU QG . . 3.770 3.421 3.421 3.421 . 0 0 "[ ]" 1 209 1 18 GLU HB3 1 19 VAL H . . 4.600 4.621 4.621 4.621 0.021 1 0 "[ ]" 1 210 1 19 VAL H 1 19 VAL HB . . 3.800 3.010 3.010 3.010 . 0 0 "[ ]" 1 211 1 19 VAL H 1 19 VAL MG1 . . 4.800 2.080 2.080 2.080 . 0 0 "[ ]" 1 212 1 19 VAL H 1 19 VAL QG . . 4.090 2.072 2.072 2.072 . 0 0 "[ ]" 1 213 1 19 VAL H 1 19 VAL MG2 . . 4.800 3.908 3.908 3.908 . 0 0 "[ ]" 1 214 1 19 VAL H 1 20 CYS H . . 3.200 1.987 1.987 1.987 . 0 0 "[ ]" 1 215 1 19 VAL H 1 20 CYS HB3 . . 4.400 4.313 4.313 4.313 . 0 0 "[ ]" 1 216 1 19 VAL HA 1 19 VAL HB . . 2.900 2.460 2.460 2.460 . 0 0 "[ ]" 1 217 1 19 VAL QG 1 45 CYS HA . . 7.960 2.537 2.537 2.537 . 0 0 "[ ]" 1 218 1 19 VAL QG 1 45 CYS HB2 . . 6.060 3.684 3.684 3.684 . 0 0 "[ ]" 1 219 1 19 VAL QG 1 48 VAL QG . . 8.120 1.905 1.905 1.905 . 0 0 "[ ]" 1 220 1 20 CYS HB3 1 21 PRO QD . . 4.300 3.965 3.965 3.965 . 0 0 "[ ]" 1 221 1 20 CYS HB3 1 23 ASP H . . 3.900 2.939 2.939 2.939 . 0 0 "[ ]" 1 222 1 20 CYS HB3 1 23 ASP HA . . 3.300 2.623 2.623 2.623 . 0 0 "[ ]" 1 223 1 20 CYS SG 1 39 CYS SG . . 6.380 6.046 6.046 6.046 . 0 0 "[ ]" 1 224 1 20 CYS SG 1 42 CYS SG . . 6.380 5.991 5.991 5.991 . 0 0 "[ ]" 1 225 1 20 CYS SG 1 45 CYS SG . . 6.380 6.214 6.214 6.214 . 0 0 "[ ]" 1 226 1 21 PRO HB2 1 42 CYS HB3 . . 5.100 5.008 5.008 5.008 . 0 0 "[ ]" 1 227 1 21 PRO QG 1 42 CYS HB3 . . 4.500 3.359 3.359 3.359 . 0 0 "[ ]" 1 228 1 22 VAL QG 1 39 CYS HA . . 7.260 3.464 3.464 3.464 . 0 0 "[ ]" 1 229 1 23 ASP QB 1 24 CYS HA . . 5.680 4.756 4.756 4.756 . 0 0 "[ ]" 1 230 1 23 ASP QB 1 24 CYS QB . . 6.750 4.932 4.932 4.932 . 0 0 "[ ]" 1 231 1 24 CYS HA 1 26 HIS HD2 . . 4.600 3.942 3.942 3.942 . 0 0 "[ ]" 1 232 1 24 CYS HA 1 35 ASP H . . 6.000 4.057 4.057 4.057 . 0 0 "[ ]" 1 233 1 24 CYS HA 1 35 ASP HB2 . . 6.000 4.372 4.372 4.372 . 0 0 "[ ]" 1 234 1 24 CYS HA 1 35 ASP HB3 . . 6.000 4.420 4.420 4.420 . 0 0 "[ ]" 1 235 1 24 CYS HA 1 38 VAL HB . . 4.100 4.127 4.127 4.127 0.027 1 0 "[ ]" 1 236 1 24 CYS HA 1 38 VAL MG1 . . 7.000 3.787 3.787 3.787 . 0 0 "[ ]" 1 237 1 24 CYS HA 1 38 VAL QG . . 6.620 3.614 3.614 3.614 . 0 0 "[ ]" 1 238 1 24 CYS HA 1 38 VAL MG2 . . 7.000 4.568 4.568 4.568 . 0 0 "[ ]" 1 239 1 24 CYS QB 1 35 ASP H . . 6.880 2.835 2.835 2.835 . 0 0 "[ ]" 1 240 1 24 CYS QB 1 35 ASP HB2 . . 4.550 3.156 3.156 3.156 . 0 0 "[ ]" 1 241 1 24 CYS QB 1 35 ASP HB3 . . 6.880 2.431 2.431 2.431 . 0 0 "[ ]" 1 242 1 24 CYS QB 1 38 VAL HB . . 4.480 2.083 2.083 2.083 . 0 0 "[ ]" 1 243 1 24 CYS QB 1 38 VAL QG . . 6.340 2.124 2.124 2.124 . 0 0 "[ ]" 1 244 1 24 CYS HB2 1 35 ASP HB2 . . 5.400 3.196 3.196 3.196 . 0 0 "[ ]" 1 245 1 24 CYS HB2 1 38 VAL MG1 . . 7.000 3.018 3.018 3.018 . 0 0 "[ ]" 1 246 1 24 CYS HB2 1 38 VAL MG2 . . 7.000 3.525 3.525 3.525 . 0 0 "[ ]" 1 247 1 24 CYS HB3 1 35 ASP HB2 . . 5.400 4.873 4.873 4.873 . 0 0 "[ ]" 1 248 1 24 CYS HB3 1 38 VAL MG1 . . 7.000 2.203 2.203 2.203 . 0 0 "[ ]" 1 249 1 24 CYS HB3 1 38 VAL MG2 . . 7.000 3.878 3.878 3.878 . 0 0 "[ ]" 1 250 1 25 ILE HA 1 26 HIS H . . 2.400 2.155 2.155 2.155 . 0 0 "[ ]" 1 251 1 25 ILE HA 1 26 HIS HB3 . . 5.600 5.499 5.499 5.499 . 0 0 "[ ]" 1 252 1 25 ILE HA 1 26 HIS HD2 . . 6.000 3.744 3.744 3.744 . 0 0 "[ ]" 1 253 1 25 ILE HA 1 33 TYR H . . 4.900 3.876 3.876 3.876 . 0 0 "[ ]" 1 254 1 25 ILE HA 1 34 ILE HA . . 3.000 2.509 2.509 2.509 . 0 0 "[ ]" 1 255 1 25 ILE HA 1 35 ASP H . . 5.300 3.852 3.852 3.852 . 0 0 "[ ]" 1 256 1 25 ILE HA 1 75 PHE HZ . . 6.000 5.415 5.415 5.415 . 0 0 "[ ]" 1 257 1 25 ILE MG 1 26 HIS H . . 6.500 3.682 3.682 3.682 . 0 0 "[ ]" 1 258 1 25 ILE MG 1 45 CYS HB2 . . 4.300 3.634 3.634 3.634 . 0 0 "[ ]" 1 259 1 26 HIS H 1 26 HIS HB2 . . 3.000 2.366 2.366 2.366 . 0 0 "[ ]" 1 260 1 26 HIS H 1 26 HIS HB3 . . 3.500 3.578 3.578 3.578 0.078 1 0 "[ ]" 1 261 1 26 HIS H 1 26 HIS HD2 . . 4.300 3.104 3.104 3.104 . 0 0 "[ ]" 1 262 1 26 HIS H 1 27 GLU H . . 5.300 4.481 4.481 4.481 . 0 0 "[ ]" 1 263 1 26 HIS H 1 33 TYR H . . 2.500 2.507 2.507 2.507 0.007 1 0 "[ ]" 1 264 1 26 HIS H 1 33 TYR HB2 . . 6.000 3.549 3.549 3.549 . 0 0 "[ ]" 1 265 1 26 HIS H 1 33 TYR HB3 . . 6.000 4.054 4.054 4.054 . 0 0 "[ ]" 1 266 1 26 HIS H 1 33 TYR O . . 2.400 1.799 1.799 1.799 . 0 0 "[ ]" 1 267 1 26 HIS H 1 34 ILE H . . 5.800 4.820 4.820 4.820 . 0 0 "[ ]" 1 268 1 26 HIS H 1 34 ILE HA . . 3.600 3.587 3.587 3.587 . 0 0 "[ ]" 1 269 1 26 HIS H 1 35 ASP H . . 5.000 4.622 4.622 4.622 . 0 0 "[ ]" 1 270 1 26 HIS H 1 75 PHE QE . . 8.000 4.654 4.654 4.654 . 0 0 "[ ]" 1 271 1 26 HIS H 1 75 PHE HZ . . 4.100 3.907 3.907 3.907 . 0 0 "[ ]" 1 272 1 26 HIS HA 1 26 HIS HB3 . . 2.900 2.458 2.458 2.458 . 0 0 "[ ]" 1 273 1 26 HIS HA 1 26 HIS HD2 . . 4.500 4.508 4.508 4.508 0.008 1 0 "[ ]" 1 274 1 26 HIS HA 1 27 GLU H . . 2.500 2.341 2.341 2.341 . 0 0 "[ ]" 1 275 1 26 HIS HA 1 27 GLU HG3 . . 4.200 4.193 4.193 4.193 . 0 0 "[ ]" 1 276 1 26 HIS HB2 1 26 HIS HD2 . . 3.500 2.630 2.630 2.630 . 0 0 "[ ]" 1 277 1 26 HIS HB2 1 27 GLU H . . 4.300 4.003 4.003 4.003 . 0 0 "[ ]" 1 278 1 26 HIS HB2 1 33 TYR H . . 6.000 3.558 3.558 3.558 . 0 0 "[ ]" 1 279 1 26 HIS HB2 1 33 TYR HB3 . . 3.200 3.306 3.306 3.306 0.106 1 0 "[ ]" 1 280 1 26 HIS HB2 1 74 PHE QE . . 6.500 5.775 5.775 5.775 . 0 0 "[ ]" 1 281 1 26 HIS HB2 1 75 PHE QE . . 7.700 2.785 2.785 2.785 . 0 0 "[ ]" 1 282 1 26 HIS HB2 1 75 PHE HZ . . 3.600 2.201 2.201 2.201 . 0 0 "[ ]" 1 283 1 26 HIS HB3 1 27 GLU H . . 3.000 3.027 3.027 3.027 0.027 1 0 "[ ]" 1 284 1 26 HIS HB3 1 33 TYR HB3 . . 6.000 4.842 4.842 4.842 . 0 0 "[ ]" 1 285 1 26 HIS HB3 1 74 PHE QE . . 6.400 5.706 5.706 5.706 . 0 0 "[ ]" 1 286 1 26 HIS HB3 1 75 PHE QE . . 6.500 2.677 2.677 2.677 . 0 0 "[ ]" 1 287 1 26 HIS HD2 1 35 ASP H . . 6.000 3.012 3.012 3.012 . 0 0 "[ ]" 1 288 1 26 HIS HD2 1 35 ASP HB2 . . 6.000 3.094 3.094 3.094 . 0 0 "[ ]" 1 289 1 26 HIS HD2 1 35 ASP HB3 . . 4.800 4.455 4.455 4.455 . 0 0 "[ ]" 1 290 1 26 HIS HD2 1 75 PHE HZ . . 2.900 2.822 2.822 2.822 . 0 0 "[ ]" 1 291 1 26 HIS N 1 33 TYR O . . 3.300 2.803 2.803 2.803 . 0 0 "[ ]" 1 292 1 26 HIS O 1 33 TYR H . . 2.400 1.754 1.754 1.754 . 0 0 "[ ]" 1 293 1 26 HIS O 1 33 TYR N . . 3.300 2.614 2.614 2.614 . 0 0 "[ ]" 1 294 1 27 GLU H 1 27 GLU HB2 . . 2.700 2.383 2.383 2.383 . 0 0 "[ ]" 1 295 1 27 GLU H 1 27 GLU HG3 . . 2.800 2.806 2.806 2.806 0.006 1 0 "[ ]" 1 296 1 27 GLU H 1 32 TYR HH . . 6.000 5.334 5.334 5.334 . 0 0 "[ ]" 1 297 1 27 GLU H 1 33 TYR H . . 4.700 4.792 4.792 4.792 0.092 1 0 "[ ]" 1 298 1 27 GLU HA 1 27 GLU HG2 . . 3.100 2.391 2.391 2.391 . 0 0 "[ ]" 1 299 1 27 GLU HA 1 27 GLU HG3 . . 3.300 2.754 2.754 2.754 . 0 0 "[ ]" 1 300 1 27 GLU HA 1 28 GLY H . . 2.800 2.112 2.112 2.112 . 0 0 "[ ]" 1 301 1 27 GLU HA 1 32 TYR HH . . 6.000 5.317 5.317 5.317 . 0 0 "[ ]" 1 302 1 27 GLU HB2 1 27 GLU HG3 . . 2.600 2.527 2.527 2.527 . 0 0 "[ ]" 1 303 1 27 GLU HB2 1 28 GLY H . . 4.200 4.158 4.158 4.158 . 0 0 "[ ]" 1 304 1 27 GLU HB2 1 32 TYR HH . . 6.000 4.773 4.773 4.773 . 0 0 "[ ]" 1 305 1 27 GLU HB3 1 27 GLU HG2 . . 2.400 2.404 2.404 2.404 0.004 1 0 "[ ]" 1 306 1 27 GLU HB3 1 28 GLY H . . 4.100 3.014 3.014 3.014 . 0 0 "[ ]" 1 307 1 27 GLU HB3 1 32 TYR HH . . 5.100 5.110 5.110 5.110 0.010 1 0 "[ ]" 1 308 1 27 GLU HG2 1 28 GLY H . . 5.700 3.778 3.778 3.778 . 0 0 "[ ]" 1 309 1 27 GLU HG2 1 32 TYR HH . . 3.900 3.367 3.367 3.367 . 0 0 "[ ]" 1 310 1 27 GLU HG3 1 28 GLY H . . 6.000 4.670 4.670 4.670 . 0 0 "[ ]" 1 311 1 27 GLU HG3 1 29 GLU H . . 6.000 5.082 5.082 5.082 . 0 0 "[ ]" 1 312 1 27 GLU HG3 1 31 GLN H . . 6.000 6.079 6.079 6.079 0.079 1 0 "[ ]" 1 313 1 27 GLU HG3 1 32 TYR HH . . 4.200 2.765 2.765 2.765 . 0 0 "[ ]" 1 314 1 28 GLY H 1 31 GLN H . . 5.700 2.826 2.826 2.826 . 0 0 "[ ]" 1 315 1 28 GLY H 1 33 TYR QD . . 8.000 2.556 2.556 2.556 . 0 0 "[ ]" 1 316 1 28 GLY HA2 1 33 TYR QD . . 6.900 3.719 3.719 3.719 . 0 0 "[ ]" 1 317 1 28 GLY HA2 1 74 PHE QE . . 6.500 3.091 3.091 3.091 . 0 0 "[ ]" 1 318 1 28 GLY HA2 1 74 PHE HZ . . 3.700 3.256 3.256 3.256 . 0 0 "[ ]" 1 319 1 28 GLY HA3 1 29 GLU H . . 3.500 3.496 3.496 3.496 . 0 0 "[ ]" 1 320 1 28 GLY HA3 1 33 TYR QD . . 5.100 2.528 2.528 2.528 . 0 0 "[ ]" 1 321 1 28 GLY HA3 1 33 TYR QE . . 7.600 2.516 2.516 2.516 . 0 0 "[ ]" 1 322 1 28 GLY HA3 1 74 PHE QE . . 6.700 3.761 3.761 3.761 . 0 0 "[ ]" 1 323 1 28 GLY HA3 1 74 PHE HZ . . 4.600 2.978 2.978 2.978 . 0 0 "[ ]" 1 324 1 29 GLU H 1 29 GLU QB . . 3.600 2.985 2.985 2.985 . 0 0 "[ ]" 1 325 1 29 GLU H 1 30 ASP H . . 3.500 3.602 3.602 3.602 0.102 1 0 "[ ]" 1 326 1 29 GLU H 1 31 GLN H . . 5.200 4.086 4.086 4.086 . 0 0 "[ ]" 1 327 1 29 GLU HA 1 29 GLU HG2 . . 4.100 3.208 3.208 3.208 . 0 0 "[ ]" 1 328 1 29 GLU HA 1 29 GLU HG3 . . 4.100 3.771 3.771 3.771 . 0 0 "[ ]" 1 329 1 29 GLU QG 1 30 ASP H . . 6.880 4.216 4.216 4.216 . 0 0 "[ ]" 1 330 1 30 ASP H 1 30 ASP HB2 . . 3.600 2.702 2.702 2.702 . 0 0 "[ ]" 1 331 1 30 ASP H 1 30 ASP QB . . 3.340 2.288 2.288 2.288 . 0 0 "[ ]" 1 332 1 30 ASP H 1 30 ASP HB3 . . 3.600 2.471 2.471 2.471 . 0 0 "[ ]" 1 333 1 30 ASP H 1 31 GLN H . . 3.200 2.570 2.570 2.570 . 0 0 "[ ]" 1 334 1 30 ASP H 1 31 GLN HG2 . . 6.000 4.176 4.176 4.176 . 0 0 "[ ]" 1 335 1 30 ASP H 1 31 GLN HG3 . . 6.000 3.944 3.944 3.944 . 0 0 "[ ]" 1 336 1 31 GLN H 1 31 GLN HB2 . . 3.900 3.818 3.818 3.818 . 0 0 "[ ]" 1 337 1 31 GLN H 1 31 GLN HE21 . . 4.400 4.446 4.446 4.446 0.046 1 0 "[ ]" 1 338 1 31 GLN H 1 31 GLN HG2 . . 5.700 2.972 2.972 2.972 . 0 0 "[ ]" 1 339 1 31 GLN H 1 31 GLN HG3 . . 5.700 2.183 2.183 2.183 . 0 0 "[ ]" 1 340 1 31 GLN HA 1 31 GLN QG . . 3.910 3.368 3.368 3.368 . 0 0 "[ ]" 1 341 1 31 GLN HB2 1 31 GLN HE22 . . 4.100 3.386 3.386 3.386 . 0 0 "[ ]" 1 342 1 31 GLN HE21 1 31 GLN HG2 . . 3.500 3.583 3.583 3.583 0.083 1 0 "[ ]" 1 343 1 31 GLN HE21 1 31 GLN HG3 . . 3.500 2.764 2.764 2.764 . 0 0 "[ ]" 1 344 1 31 GLN QG 1 33 TYR HA . . 6.880 5.583 5.583 5.583 . 0 0 "[ ]" 1 345 1 31 GLN HG2 1 33 TYR QD . . 7.200 4.917 4.917 4.917 . 0 0 "[ ]" 1 346 1 31 GLN HG3 1 33 TYR QD . . 7.200 3.283 3.283 3.283 . 0 0 "[ ]" 1 347 1 32 TYR H 1 32 TYR HB2 . . 3.000 2.297 2.297 2.297 . 0 0 "[ ]" 1 348 1 32 TYR H 1 32 TYR HB3 . . 3.800 3.565 3.565 3.565 . 0 0 "[ ]" 1 349 1 32 TYR HA 1 33 TYR H . . 3.000 2.218 2.218 2.218 . 0 0 "[ ]" 1 350 1 33 TYR H 1 33 TYR HB2 . . 3.100 2.431 2.431 2.431 . 0 0 "[ ]" 1 351 1 33 TYR H 1 33 TYR QE . . 6.600 5.606 5.606 5.606 . 0 0 "[ ]" 1 352 1 33 TYR H 1 34 ILE H . . 4.900 4.203 4.203 4.203 . 0 0 "[ ]" 1 353 1 33 TYR H 1 75 PHE HZ . . 5.300 4.542 4.542 4.542 . 0 0 "[ ]" 1 354 1 33 TYR HA 1 33 TYR HB3 . . 3.000 2.722 2.722 2.722 . 0 0 "[ ]" 1 355 1 33 TYR HA 1 33 TYR QE . . 4.900 4.317 4.317 4.317 . 0 0 "[ ]" 1 356 1 33 TYR HA 1 34 ILE H . . 3.200 2.214 2.214 2.214 . 0 0 "[ ]" 1 357 1 33 TYR HA 1 75 PHE HZ . . 6.000 4.771 4.771 4.771 . 0 0 "[ ]" 1 358 1 33 TYR HB2 1 34 ILE H . . 4.800 4.527 4.527 4.527 . 0 0 "[ ]" 1 359 1 33 TYR HB2 1 75 PHE QE . . 7.400 4.137 4.137 4.137 . 0 0 "[ ]" 1 360 1 33 TYR HB2 1 75 PHE HZ . . 4.100 2.890 2.890 2.890 . 0 0 "[ ]" 1 361 1 33 TYR HB3 1 34 ILE H . . 3.800 3.597 3.597 3.597 . 0 0 "[ ]" 1 362 1 33 TYR HB3 1 74 PHE QD . . 7.800 3.986 3.986 3.986 . 0 0 "[ ]" 1 363 1 33 TYR HB3 1 75 PHE QE . . 6.300 3.075 3.075 3.075 . 0 0 "[ ]" 1 364 1 33 TYR HB3 1 75 PHE HZ . . 4.900 2.201 2.201 2.201 . 0 0 "[ ]" 1 365 1 33 TYR QD 1 70 LYS HB3 . . 8.000 4.730 4.730 4.730 . 0 0 "[ ]" 1 366 1 33 TYR QD 1 70 LYS QE . . 8.700 5.451 5.451 5.451 . 0 0 "[ ]" 1 367 1 33 TYR QD 1 70 LYS HG2 . . 6.600 5.110 5.110 5.110 . 0 0 "[ ]" 1 368 1 33 TYR QD 1 70 LYS HG3 . . 5.900 4.189 4.189 4.189 . 0 0 "[ ]" 1 369 1 33 TYR QD 1 71 ASN H . . 8.000 4.276 4.276 4.276 . 0 0 "[ ]" 1 370 1 33 TYR QD 1 71 ASN HA . . 6.600 2.391 2.391 2.391 . 0 0 "[ ]" 1 371 1 33 TYR QD 1 74 PHE QB . . 8.880 3.836 3.836 3.836 . 0 0 "[ ]" 1 372 1 33 TYR QD 1 74 PHE QD . . 10.000 2.782 2.782 2.782 . 0 0 "[ ]" 1 373 1 33 TYR QD 1 74 PHE QE . . 10.000 3.475 3.475 3.475 . 0 0 "[ ]" 1 374 1 33 TYR QD 1 74 PHE HZ . . 8.000 4.013 4.013 4.013 . 0 0 "[ ]" 1 375 1 33 TYR QE 1 71 ASN H . . 8.000 3.869 3.869 3.869 . 0 0 "[ ]" 1 376 1 33 TYR HH 1 67 TYR QD . . 8.000 3.760 3.760 3.760 . 0 0 "[ ]" 1 377 1 34 ILE H 1 34 ILE HA . . 2.800 2.918 2.918 2.918 0.118 1 0 "[ ]" 1 378 1 34 ILE H 1 34 ILE HB . . 2.800 2.297 2.297 2.297 . 0 0 "[ ]" 1 379 1 34 ILE H 1 71 ASN HB2 . . 6.000 5.341 5.341 5.341 . 0 0 "[ ]" 1 380 1 34 ILE H 1 71 ASN HB3 . . 6.000 4.223 4.223 4.223 . 0 0 "[ ]" 1 381 1 34 ILE H 1 75 PHE QE . . 8.000 4.571 4.571 4.571 . 0 0 "[ ]" 1 382 1 34 ILE H 1 75 PHE HZ . . 6.000 5.108 5.108 5.108 . 0 0 "[ ]" 1 383 1 34 ILE HA 1 35 ASP H . . 2.500 2.358 2.358 2.358 . 0 0 "[ ]" 1 384 1 34 ILE HA 1 75 PHE QE . . 8.000 4.688 4.688 4.688 . 0 0 "[ ]" 1 385 1 34 ILE HB 1 35 ASP H . . 4.500 4.417 4.417 4.417 . 0 0 "[ ]" 1 386 1 34 ILE MD 1 45 CYS HB2 . . 3.900 3.029 3.029 3.029 . 0 0 "[ ]" 1 387 1 34 ILE QG 1 45 CYS HB2 . . 5.050 4.249 4.249 4.249 . 0 0 "[ ]" 1 388 1 34 ILE MG 1 39 CYS HB3 . . 3.840 3.199 3.199 3.199 . 0 0 "[ ]" 1 389 1 35 ASP H 1 35 ASP HB2 . . 2.900 2.710 2.710 2.710 . 0 0 "[ ]" 1 390 1 35 ASP H 1 35 ASP HB3 . . 3.400 2.843 2.843 2.843 . 0 0 "[ ]" 1 391 1 35 ASP H 1 38 VAL QG . . 8.560 4.574 4.574 4.574 . 0 0 "[ ]" 1 392 1 35 ASP H 1 75 PHE QE . . 8.000 3.893 3.893 3.893 . 0 0 "[ ]" 1 393 1 35 ASP H 1 75 PHE HZ . . 6.000 4.827 4.827 4.827 . 0 0 "[ ]" 1 394 1 35 ASP HA 1 36 PRO HD2 . . 3.000 2.161 2.161 2.161 . 0 0 "[ ]" 1 395 1 35 ASP HA 1 36 PRO QD . . 2.720 2.089 2.089 2.089 . 0 0 "[ ]" 1 396 1 35 ASP HA 1 36 PRO HD3 . . 3.000 2.766 2.766 2.766 . 0 0 "[ ]" 1 397 1 35 ASP HA 1 36 PRO HG2 . . 6.000 4.342 4.342 4.342 . 0 0 "[ ]" 1 398 1 35 ASP HA 1 37 ASP H . . 3.700 3.599 3.599 3.599 . 0 0 "[ ]" 1 399 1 35 ASP HA 1 75 PHE QD . . 6.200 2.728 2.728 2.728 . 0 0 "[ ]" 1 400 1 35 ASP HA 1 75 PHE QE . . 6.600 2.487 2.487 2.487 . 0 0 "[ ]" 1 401 1 35 ASP HA 1 75 PHE HZ . . 4.800 4.702 4.702 4.702 . 0 0 "[ ]" 1 402 1 35 ASP HB2 1 38 VAL HB . . 3.500 3.558 3.558 3.558 0.058 1 0 "[ ]" 1 403 1 35 ASP HB2 1 38 VAL QG . . 6.760 3.320 3.320 3.320 . 0 0 "[ ]" 1 404 1 35 ASP HB2 1 75 PHE QD . . 8.000 3.064 3.064 3.064 . 0 0 "[ ]" 1 405 1 35 ASP HB2 1 75 PHE QE . . 8.000 3.439 3.439 3.439 . 0 0 "[ ]" 1 406 1 35 ASP HB3 1 36 PRO QD . . 6.880 4.207 4.207 4.207 . 0 0 "[ ]" 1 407 1 35 ASP HB3 1 38 VAL H . . 2.400 2.470 2.470 2.470 0.070 1 0 "[ ]" 1 408 1 35 ASP HB3 1 38 VAL HB . . 5.200 2.108 2.108 2.108 . 0 0 "[ ]" 1 409 1 35 ASP HB3 1 38 VAL QG . . 5.560 2.609 2.609 2.609 . 0 0 "[ ]" 1 410 1 35 ASP HB3 1 39 CYS H . . 4.500 3.375 3.375 3.375 . 0 0 "[ ]" 1 411 1 35 ASP HB3 1 75 PHE QD . . 8.000 4.249 4.249 4.249 . 0 0 "[ ]" 1 412 1 35 ASP HB3 1 75 PHE QE . . 7.000 4.739 4.739 4.739 . 0 0 "[ ]" 1 413 1 35 ASP O 1 39 CYS H . . 2.400 1.876 1.876 1.876 . 0 0 "[ ]" 1 414 1 35 ASP O 1 39 CYS N . . 3.300 2.857 2.857 2.857 . 0 0 "[ ]" 1 415 1 36 PRO HA 1 38 VAL H . . 4.400 4.153 4.153 4.153 . 0 0 "[ ]" 1 416 1 36 PRO HA 1 39 CYS HB3 . . 3.400 2.474 2.474 2.474 . 0 0 "[ ]" 1 417 1 36 PRO HA 1 75 PHE QE . . 8.000 6.769 6.769 6.769 . 0 0 "[ ]" 1 418 1 36 PRO HB2 1 37 ASP H . . 3.600 3.613 3.613 3.613 0.013 1 0 "[ ]" 1 419 1 36 PRO HB2 1 72 ARG QD . . 6.580 5.250 5.250 5.250 . 0 0 "[ ]" 1 420 1 36 PRO HB2 1 72 ARG HE . . 5.500 3.851 3.851 3.851 . 0 0 "[ ]" 1 421 1 36 PRO QD 1 37 ASP H . . 5.260 2.708 2.708 2.708 . 0 0 "[ ]" 1 422 1 36 PRO QD 1 72 ARG HA . . 4.620 2.700 2.700 2.700 . 0 0 "[ ]" 1 423 1 36 PRO QD 1 72 ARG QG . . 7.750 4.525 4.525 4.525 . 0 0 "[ ]" 1 424 1 36 PRO QD 1 75 PHE QD . . 7.610 3.396 3.396 3.396 . 0 0 "[ ]" 1 425 1 36 PRO QD 1 75 PHE QE . . 8.880 3.587 3.587 3.587 . 0 0 "[ ]" 1 426 1 36 PRO QD 1 76 LYS QD . . 6.380 4.866 4.866 4.866 . 0 0 "[ ]" 1 427 1 36 PRO HD2 1 72 ARG HA . . 4.800 2.741 2.741 2.741 . 0 0 "[ ]" 1 428 1 36 PRO HD2 1 75 PHE QD . . 8.000 3.474 3.474 3.474 . 0 0 "[ ]" 1 429 1 36 PRO HD3 1 72 ARG HA . . 4.800 4.048 4.048 4.048 . 0 0 "[ ]" 1 430 1 36 PRO HD3 1 75 PHE QD . . 8.000 4.778 4.778 4.778 . 0 0 "[ ]" 1 431 1 36 PRO HG2 1 37 ASP H . . 4.300 2.598 2.598 2.598 . 0 0 "[ ]" 1 432 1 36 PRO HG2 1 72 ARG HE . . 6.000 2.247 2.247 2.247 . 0 0 "[ ]" 1 433 1 36 PRO HG2 1 72 ARG QG . . 5.680 3.849 3.849 3.849 . 0 0 "[ ]" 1 434 1 36 PRO HG3 1 72 ARG HA . . 5.300 3.326 3.326 3.326 . 0 0 "[ ]" 1 435 1 36 PRO HG3 1 72 ARG QG . . 6.280 4.601 4.601 4.601 . 0 0 "[ ]" 1 436 1 37 ASP H 1 37 ASP QB . . 3.540 2.461 2.461 2.461 . 0 0 "[ ]" 1 437 1 37 ASP H 1 38 VAL H . . 2.600 2.413 2.413 2.413 . 0 0 "[ ]" 1 438 1 37 ASP H 1 38 VAL HA . . 5.100 5.115 5.115 5.115 0.015 1 0 "[ ]" 1 439 1 37 ASP H 1 38 VAL HB . . 5.000 4.809 4.809 4.809 . 0 0 "[ ]" 1 440 1 37 ASP H 1 38 VAL QG . . 7.660 3.878 3.878 3.878 . 0 0 "[ ]" 1 441 1 37 ASP HA 1 37 ASP HB2 . . 3.000 3.017 3.017 3.017 0.017 1 0 "[ ]" 1 442 1 37 ASP HA 1 37 ASP HB3 . . 3.000 2.393 2.393 2.393 . 0 0 "[ ]" 1 443 1 37 ASP QB 1 38 VAL H . . 4.140 3.173 3.173 3.173 . 0 0 "[ ]" 1 444 1 37 ASP QB 1 38 VAL QG . . 6.210 3.172 3.172 3.172 . 0 0 "[ ]" 1 445 1 37 ASP HB2 1 38 VAL H . . 4.700 3.274 3.274 3.274 . 0 0 "[ ]" 1 446 1 37 ASP HB2 1 38 VAL MG1 . . 8.120 5.737 5.737 5.737 . 0 0 "[ ]" 1 447 1 37 ASP HB2 1 38 VAL MG2 . . 8.120 3.302 3.302 3.302 . 0 0 "[ ]" 1 448 1 37 ASP HB3 1 38 VAL H . . 4.700 4.258 4.258 4.258 . 0 0 "[ ]" 1 449 1 37 ASP HB3 1 38 VAL MG1 . . 8.120 6.295 6.295 6.295 . 0 0 "[ ]" 1 450 1 37 ASP HB3 1 38 VAL MG2 . . 8.120 4.271 4.271 4.271 . 0 0 "[ ]" 1 451 1 38 VAL H 1 38 VAL HB . . 3.200 2.596 2.596 2.596 . 0 0 "[ ]" 1 452 1 38 VAL H 1 38 VAL MG1 . . 4.800 3.869 3.869 3.869 . 0 0 "[ ]" 1 453 1 38 VAL H 1 38 VAL QG . . 3.860 2.485 2.485 2.485 . 0 0 "[ ]" 1 454 1 38 VAL H 1 38 VAL MG2 . . 4.800 2.515 2.515 2.515 . 0 0 "[ ]" 1 455 1 38 VAL H 1 39 CYS H . . 3.300 2.249 2.249 2.249 . 0 0 "[ ]" 1 456 1 38 VAL HA 1 38 VAL MG1 . . 3.500 2.346 2.346 2.346 . 0 0 "[ ]" 1 457 1 38 VAL HA 1 38 VAL MG2 . . 3.500 2.391 2.391 2.391 . 0 0 "[ ]" 1 458 1 38 VAL HB 1 39 CYS H . . 4.300 3.043 3.043 3.043 . 0 0 "[ ]" 1 459 1 38 VAL QG 1 39 CYS H . . 6.430 3.497 3.497 3.497 . 0 0 "[ ]" 1 460 1 38 VAL MG1 1 39 CYS H . . 7.000 3.822 3.822 3.822 . 0 0 "[ ]" 1 461 1 38 VAL MG2 1 39 CYS H . . 7.000 4.052 4.052 4.052 . 0 0 "[ ]" 1 462 1 39 CYS H 1 39 CYS HB3 . . 2.700 2.365 2.365 2.365 . 0 0 "[ ]" 1 463 1 39 CYS SG 1 42 CYS SG . . 6.380 5.720 5.720 5.720 . 0 0 "[ ]" 1 464 1 39 CYS SG 1 45 CYS SG . . 6.380 5.783 5.783 5.783 . 0 0 "[ ]" 1 465 1 40 ILE HA 1 40 ILE MG . . 3.400 2.272 2.272 2.272 . 0 0 "[ ]" 1 466 1 40 ILE HA 1 41 ASP H . . 2.900 2.832 2.832 2.832 . 0 0 "[ ]" 1 467 1 40 ILE HB 1 41 ASP H . . 4.500 4.495 4.495 4.495 . 0 0 "[ ]" 1 468 1 40 ILE HB 1 42 CYS HB3 . . 4.900 4.877 4.877 4.877 . 0 0 "[ ]" 1 469 1 40 ILE QG 1 41 ASP H . . 4.400 3.883 3.883 3.883 . 0 0 "[ ]" 1 470 1 40 ILE QG 1 42 CYS HB3 . . 3.300 2.561 2.561 2.561 . 0 0 "[ ]" 1 471 1 41 ASP H 1 41 ASP HA . . 2.900 2.295 2.295 2.295 . 0 0 "[ ]" 1 472 1 41 ASP H 1 41 ASP HB2 . . 3.600 3.176 3.176 3.176 . 0 0 "[ ]" 1 473 1 41 ASP H 1 41 ASP HB3 . . 4.100 4.046 4.046 4.046 . 0 0 "[ ]" 1 474 1 42 CYS HA 1 42 CYS HB3 . . 2.700 2.624 2.624 2.624 . 0 0 "[ ]" 1 475 1 42 CYS SG 1 45 CYS SG . . 6.380 5.479 5.479 5.479 . 0 0 "[ ]" 1 476 1 45 CYS HA 1 45 CYS HB2 . . 3.000 2.439 2.439 2.439 . 0 0 "[ ]" 1 477 1 45 CYS HA 1 48 VAL QG . . 8.560 3.160 3.160 3.160 . 0 0 "[ ]" 1 478 1 45 CYS HB2 1 46 GLU HA . . 4.900 4.672 4.672 4.672 . 0 0 "[ ]" 1 479 1 45 CYS HB2 1 48 VAL H . . 5.200 5.232 5.232 5.232 0.032 1 0 "[ ]" 1 480 1 45 CYS HB2 1 54 ILE MD . . 4.600 2.470 2.470 2.470 . 0 0 "[ ]" 1 481 1 46 GLU HA 1 54 ILE HB . . 3.300 2.482 2.482 2.482 . 0 0 "[ ]" 1 482 1 47 ALA H 1 47 ALA MB . . 3.500 2.244 2.244 2.244 . 0 0 "[ ]" 1 483 1 47 ALA H 1 48 VAL H . . 3.000 2.689 2.689 2.689 . 0 0 "[ ]" 1 484 1 47 ALA MB 1 48 VAL H . . 4.100 2.753 2.753 2.753 . 0 0 "[ ]" 1 485 1 47 ALA MB 1 48 VAL HA . . 6.700 4.006 4.006 4.006 . 0 0 "[ ]" 1 486 1 47 ALA MB 1 48 VAL QG . . 8.060 3.182 3.182 3.182 . 0 0 "[ ]" 1 487 1 48 VAL H 1 48 VAL HB . . 4.000 2.187 2.187 2.187 . 0 0 "[ ]" 1 488 1 48 VAL H 1 48 VAL MG1 . . 4.400 3.640 3.640 3.640 . 0 0 "[ ]" 1 489 1 48 VAL H 1 48 VAL QG . . 4.010 2.633 2.633 2.633 . 0 0 "[ ]" 1 490 1 48 VAL H 1 48 VAL MG2 . . 4.400 2.702 2.702 2.702 . 0 0 "[ ]" 1 491 1 48 VAL HA 1 48 VAL HB . . 3.000 3.005 3.005 3.005 0.005 1 0 "[ ]" 1 492 1 49 CYS H 1 49 CYS HB3 . . 2.800 2.649 2.649 2.649 . 0 0 "[ ]" 1 493 1 49 CYS HB3 1 50 PRO QD . . 4.700 4.188 4.188 4.188 . 0 0 "[ ]" 1 494 1 49 CYS HB3 1 51 VAL MG1 . . 5.000 4.197 4.197 4.197 . 0 0 "[ ]" 1 495 1 49 CYS HB3 1 51 VAL QG . . 4.440 3.337 3.337 3.337 . 0 0 "[ ]" 1 496 1 49 CYS HB3 1 51 VAL MG2 . . 5.000 3.503 3.503 3.503 . 0 0 "[ ]" 1 497 1 49 CYS HB3 1 52 SER HA . . 4.000 3.340 3.340 3.340 . 0 0 "[ ]" 1 498 1 49 CYS HB3 1 53 ALA H . . 3.800 3.440 3.440 3.440 . 0 0 "[ ]" 1 499 1 49 CYS HB3 1 54 ILE H . . 3.800 3.862 3.862 3.862 0.062 1 0 "[ ]" 1 500 1 49 CYS HB3 1 54 ILE HB . . 5.000 4.685 4.685 4.685 . 0 0 "[ ]" 1 501 1 49 CYS HB3 1 54 ILE QG . . 5.000 3.136 3.136 3.136 . 0 0 "[ ]" 1 502 1 52 SER H 1 52 SER QB . . 3.680 3.361 3.361 3.361 . 0 0 "[ ]" 1 503 1 54 ILE HA 1 55 TYR H . . 2.800 2.267 2.267 2.267 . 0 0 "[ ]" 1 504 1 55 TYR H 1 55 TYR HB2 . . 3.100 2.541 2.541 2.541 . 0 0 "[ ]" 1 505 1 55 TYR H 1 55 TYR HB3 . . 3.600 3.693 3.693 3.693 0.093 1 0 "[ ]" 1 506 1 55 TYR H 1 55 TYR QE . . 7.000 5.093 5.093 5.093 . 0 0 "[ ]" 1 507 1 55 TYR H 1 56 HIS H . . 6.000 4.419 4.419 4.419 . 0 0 "[ ]" 1 508 1 55 TYR H 1 60 VAL QG . . 8.400 2.981 2.981 2.981 . 0 0 "[ ]" 1 509 1 55 TYR HB2 1 56 HIS H . . 3.600 3.644 3.644 3.644 0.044 1 0 "[ ]" 1 510 1 55 TYR HB2 1 59 PHE HB2 . . 5.500 3.704 3.704 3.704 . 0 0 "[ ]" 1 511 1 55 TYR HB2 1 60 VAL HA . . 4.800 3.499 3.499 3.499 . 0 0 "[ ]" 1 512 1 55 TYR HB2 1 60 VAL QG . . 6.600 2.106 2.106 2.106 . 0 0 "[ ]" 1 513 1 55 TYR HB3 1 56 HIS H . . 3.200 2.321 2.321 2.321 . 0 0 "[ ]" 1 514 1 55 TYR HB3 1 59 PHE H . . 4.200 4.287 4.287 4.287 0.087 1 0 "[ ]" 1 515 1 55 TYR HB3 1 60 VAL QG . . 6.900 2.974 2.974 2.974 . 0 0 "[ ]" 1 516 1 55 TYR QD 1 56 HIS H . . 8.000 3.227 3.227 3.227 . 0 0 "[ ]" 1 517 1 55 TYR QD 1 59 PHE HB2 . . 8.000 4.204 4.204 4.204 . 0 0 "[ ]" 1 518 1 55 TYR QD 1 59 PHE HB3 . . 7.900 4.273 4.273 4.273 . 0 0 "[ ]" 1 519 1 55 TYR QD 1 61 PRO HD2 . . 8.000 5.053 5.053 5.053 . 0 0 "[ ]" 1 520 1 55 TYR QE 1 64 TRP HE3 . . 7.000 6.096 6.096 6.096 . 0 0 "[ ]" 1 521 1 55 TYR QE 1 64 TRP HZ3 . . 6.700 4.867 4.867 4.867 . 0 0 "[ ]" 1 522 1 56 HIS H 1 56 HIS HB2 . . 2.800 2.332 2.332 2.332 . 0 0 "[ ]" 1 523 1 56 HIS H 1 56 HIS HB3 . . 3.500 2.793 2.793 2.793 . 0 0 "[ ]" 1 524 1 56 HIS H 1 56 HIS HD2 . . 6.000 4.575 4.575 4.575 . 0 0 "[ ]" 1 525 1 56 HIS H 1 59 PHE H . . 5.500 4.005 4.005 4.005 . 0 0 "[ ]" 1 526 1 56 HIS H 1 59 PHE HB2 . . 3.300 2.545 2.545 2.545 . 0 0 "[ ]" 1 527 1 56 HIS H 1 59 PHE HB3 . . 3.900 3.843 3.843 3.843 . 0 0 "[ ]" 1 528 1 56 HIS H 1 59 PHE QR . . 8.400 2.686 2.686 2.686 . 0 0 "[ ]" 1 529 1 56 HIS H 1 60 VAL QG . . 8.400 4.057 4.057 4.057 . 0 0 "[ ]" 1 530 1 56 HIS HA 1 56 HIS HB2 . . 2.900 2.657 2.657 2.657 . 0 0 "[ ]" 1 531 1 56 HIS HA 1 56 HIS HB3 . . 3.000 3.031 3.031 3.031 0.031 1 0 "[ ]" 1 532 1 56 HIS HA 1 56 HIS HD2 . . 3.900 2.564 2.564 2.564 . 0 0 "[ ]" 1 533 1 56 HIS HA 1 57 GLU H . . 2.700 2.276 2.276 2.276 . 0 0 "[ ]" 1 534 1 56 HIS HA 1 57 GLU QB . . 6.080 4.332 4.332 4.332 . 0 0 "[ ]" 1 535 1 56 HIS HA 1 58 ASP H . . 4.200 4.219 4.219 4.219 0.019 1 0 "[ ]" 1 536 1 56 HIS HA 1 59 PHE H . . 6.000 4.302 4.302 4.302 . 0 0 "[ ]" 1 537 1 56 HIS HB2 1 56 HIS HD2 . . 3.800 2.987 2.987 2.987 . 0 0 "[ ]" 1 538 1 56 HIS HB2 1 57 GLU H . . 5.100 4.306 4.306 4.306 . 0 0 "[ ]" 1 539 1 56 HIS HB2 1 58 ASP H . . 4.700 4.695 4.695 4.695 . 0 0 "[ ]" 1 540 1 56 HIS HB2 1 59 PHE H . . 4.000 4.061 4.061 4.061 0.061 1 0 "[ ]" 1 541 1 56 HIS HB2 1 59 PHE HB2 . . 5.600 3.584 3.584 3.584 . 0 0 "[ ]" 1 542 1 56 HIS HB2 1 59 PHE QR . . 8.400 3.011 3.011 3.011 . 0 0 "[ ]" 1 543 1 56 HIS HB3 1 57 GLU H . . 5.300 3.818 3.818 3.818 . 0 0 "[ ]" 1 544 1 56 HIS HB3 1 58 ASP H . . 3.300 3.312 3.312 3.312 0.012 1 0 "[ ]" 1 545 1 56 HIS HB3 1 59 PHE H . . 3.300 2.386 2.386 2.386 . 0 0 "[ ]" 1 546 1 56 HIS HB3 1 59 PHE HB2 . . 4.700 2.635 2.635 2.635 . 0 0 "[ ]" 1 547 1 56 HIS HB3 1 59 PHE HB3 . . 6.000 4.023 4.023 4.023 . 0 0 "[ ]" 1 548 1 56 HIS HB3 1 59 PHE QR . . 7.800 2.954 2.954 2.954 . 0 0 "[ ]" 1 549 1 56 HIS HD2 1 57 GLU H . . 6.000 3.591 3.591 3.591 . 0 0 "[ ]" 1 550 1 56 HIS O 1 60 VAL H . . 2.400 1.945 1.945 1.945 . 0 0 "[ ]" 1 551 1 56 HIS O 1 60 VAL N . . 3.300 2.903 2.903 2.903 . 0 0 "[ ]" 1 552 1 57 GLU H 1 57 GLU HA . . 2.900 2.718 2.718 2.718 . 0 0 "[ ]" 1 553 1 57 GLU H 1 57 GLU HB2 . . 3.400 3.499 3.499 3.499 0.099 1 0 "[ ]" 1 554 1 57 GLU H 1 57 GLU QB . . 3.040 2.320 2.320 2.320 . 0 0 "[ ]" 1 555 1 57 GLU H 1 57 GLU HB3 . . 3.400 2.354 2.354 2.354 . 0 0 "[ ]" 1 556 1 57 GLU H 1 57 GLU HG2 . . 4.700 2.139 2.139 2.139 . 0 0 "[ ]" 1 557 1 57 GLU H 1 57 GLU QG . . 3.970 2.123 2.123 2.123 . 0 0 "[ ]" 1 558 1 57 GLU H 1 57 GLU HG3 . . 4.700 3.563 3.563 3.563 . 0 0 "[ ]" 1 559 1 57 GLU H 1 58 ASP H . . 2.900 2.865 2.865 2.865 . 0 0 "[ ]" 1 560 1 57 GLU H 1 58 ASP QB . . 6.180 4.636 4.636 4.636 . 0 0 "[ ]" 1 561 1 57 GLU H 1 59 PHE H . . 4.700 4.111 4.111 4.111 . 0 0 "[ ]" 1 562 1 57 GLU H 1 60 VAL QG . . 8.400 4.454 4.454 4.454 . 0 0 "[ ]" 1 563 1 57 GLU HA 1 57 GLU QG . . 3.510 3.285 3.285 3.285 . 0 0 "[ ]" 1 564 1 57 GLU HA 1 59 PHE H . . 3.700 3.880 3.880 3.880 0.180 1 0 "[ ]" 1 565 1 57 GLU HA 1 60 VAL H . . 3.500 3.479 3.479 3.479 . 0 0 "[ ]" 1 566 1 57 GLU HA 1 60 VAL HB . . 3.100 3.073 3.073 3.073 . 0 0 "[ ]" 1 567 1 57 GLU HA 1 60 VAL QG . . 5.400 3.071 3.071 3.071 . 0 0 "[ ]" 1 568 1 57 GLU HA 1 68 ILE MD . . 4.300 2.832 2.832 2.832 . 0 0 "[ ]" 1 569 1 57 GLU HA 1 68 ILE HG12 . . 5.100 2.469 2.469 2.469 . 0 0 "[ ]" 1 570 1 57 GLU HA 1 68 ILE HG13 . . 5.100 2.496 2.496 2.496 . 0 0 "[ ]" 1 571 1 57 GLU HA 1 68 ILE MG . . 4.800 3.665 3.665 3.665 . 0 0 "[ ]" 1 572 1 57 GLU QB 1 57 GLU QG . . 2.480 2.037 2.037 2.037 . 0 0 "[ ]" 1 573 1 57 GLU QB 1 58 ASP H . . 3.720 3.378 3.378 3.378 . 0 0 "[ ]" 1 574 1 57 GLU QB 1 68 ILE QG . . 4.870 2.231 2.231 2.231 . 0 0 "[ ]" 1 575 1 57 GLU QB 1 68 ILE MG . . 6.880 2.137 2.137 2.137 . 0 0 "[ ]" 1 576 1 57 GLU HB2 1 58 ASP H . . 4.200 3.699 3.699 3.699 . 0 0 "[ ]" 1 577 1 57 GLU HB2 1 68 ILE HG12 . . 5.650 2.740 2.740 2.740 . 0 0 "[ ]" 1 578 1 57 GLU HB2 1 68 ILE HG13 . . 5.650 2.557 2.557 2.557 . 0 0 "[ ]" 1 579 1 57 GLU HB3 1 58 ASP H . . 4.200 3.904 3.904 3.904 . 0 0 "[ ]" 1 580 1 57 GLU HB3 1 68 ILE HG12 . . 5.650 3.780 3.780 3.780 . 0 0 "[ ]" 1 581 1 57 GLU HB3 1 68 ILE HG13 . . 5.650 2.861 2.861 2.861 . 0 0 "[ ]" 1 582 1 57 GLU QG 1 58 ASP H . . 5.280 2.039 2.039 2.039 . 0 0 "[ ]" 1 583 1 57 GLU QG 1 68 ILE QG . . 5.950 3.880 3.880 3.880 . 0 0 "[ ]" 1 584 1 57 GLU QG 1 68 ILE MG . . 6.080 3.518 3.518 3.518 . 0 0 "[ ]" 1 585 1 58 ASP H 1 58 ASP HB2 . . 3.400 2.547 2.547 2.547 . 0 0 "[ ]" 1 586 1 58 ASP H 1 58 ASP QB . . 2.990 2.303 2.303 2.303 . 0 0 "[ ]" 1 587 1 58 ASP H 1 58 ASP HB3 . . 3.400 2.627 2.627 2.627 . 0 0 "[ ]" 1 588 1 58 ASP H 1 59 PHE H . . 2.800 2.737 2.737 2.737 . 0 0 "[ ]" 1 589 1 58 ASP H 1 59 PHE HB2 . . 5.600 4.813 4.813 4.813 . 0 0 "[ ]" 1 590 1 58 ASP H 1 60 VAL H . . 4.500 4.342 4.342 4.342 . 0 0 "[ ]" 1 591 1 58 ASP H 1 60 VAL QG . . 8.400 5.026 5.026 5.026 . 0 0 "[ ]" 1 592 1 58 ASP HA 1 58 ASP HB2 . . 3.000 2.496 2.496 2.496 . 0 0 "[ ]" 1 593 1 58 ASP HA 1 58 ASP QB . . 2.720 2.384 2.384 2.384 . 0 0 "[ ]" 1 594 1 58 ASP HA 1 58 ASP HB3 . . 3.000 3.022 3.022 3.022 0.022 1 0 "[ ]" 1 595 1 58 ASP HA 1 59 PHE H . . 3.400 3.521 3.521 3.521 0.121 1 0 "[ ]" 1 596 1 58 ASP HA 1 60 VAL H . . 4.800 4.600 4.600 4.600 . 0 0 "[ ]" 1 597 1 58 ASP QB 1 59 PHE QR . . 9.280 2.516 2.516 2.516 . 0 0 "[ ]" 1 598 1 58 ASP HB2 1 59 PHE H . . 5.100 4.080 4.080 4.080 . 0 0 "[ ]" 1 599 1 58 ASP HB3 1 59 PHE H . . 5.100 2.900 2.900 2.900 . 0 0 "[ ]" 1 600 1 59 PHE H 1 59 PHE HB2 . . 2.900 2.317 2.317 2.317 . 0 0 "[ ]" 1 601 1 59 PHE H 1 59 PHE HB3 . . 3.400 3.529 3.529 3.529 0.129 1 0 "[ ]" 1 602 1 59 PHE H 1 60 VAL H . . 2.500 2.273 2.273 2.273 . 0 0 "[ ]" 1 603 1 59 PHE H 1 60 VAL HB . . 4.500 4.311 4.311 4.311 . 0 0 "[ ]" 1 604 1 59 PHE H 1 60 VAL QG . . 7.200 3.820 3.820 3.820 . 0 0 "[ ]" 1 605 1 59 PHE HA 1 59 PHE HB3 . . 3.000 2.489 2.489 2.489 . 0 0 "[ ]" 1 606 1 59 PHE HA 1 60 VAL H . . 3.600 3.559 3.559 3.559 . 0 0 "[ ]" 1 607 1 59 PHE HB2 1 60 VAL H . . 4.500 2.739 2.739 2.739 . 0 0 "[ ]" 1 608 1 59 PHE HB3 1 60 VAL H . . 4.800 3.648 3.648 3.648 . 0 0 "[ ]" 1 609 1 60 VAL H 1 60 VAL HB . . 2.600 2.377 2.377 2.377 . 0 0 "[ ]" 1 610 1 60 VAL H 1 61 PRO HD3 . . 5.000 4.580 4.580 4.580 . 0 0 "[ ]" 1 611 1 60 VAL H 1 68 ILE QG . . 6.880 4.395 4.395 4.395 . 0 0 "[ ]" 1 612 1 60 VAL HA 1 61 PRO HD2 . . 3.000 2.592 2.592 2.592 . 0 0 "[ ]" 1 613 1 60 VAL HA 1 61 PRO HD3 . . 2.400 2.129 2.129 2.129 . 0 0 "[ ]" 1 614 1 60 VAL HA 1 64 TRP HB3 . . 5.600 5.202 5.202 5.202 . 0 0 "[ ]" 1 615 1 60 VAL HB 1 65 LYS HA . . 5.000 3.835 3.835 3.835 . 0 0 "[ ]" 1 616 1 60 VAL HB 1 68 ILE HG12 . . 4.000 2.955 2.955 2.955 . 0 0 "[ ]" 1 617 1 60 VAL HB 1 68 ILE QG . . 3.650 2.884 2.884 2.884 . 0 0 "[ ]" 1 618 1 60 VAL HB 1 68 ILE HG13 . . 4.000 4.027 4.027 4.027 0.027 1 0 "[ ]" 1 619 1 60 VAL QG 1 61 PRO HD2 . . 6.100 2.376 2.376 2.376 . 0 0 "[ ]" 1 620 1 60 VAL QG 1 61 PRO HD3 . . 7.000 3.205 3.205 3.205 . 0 0 "[ ]" 1 621 1 60 VAL QG 1 64 TRP H . . 8.400 3.457 3.457 3.457 . 0 0 "[ ]" 1 622 1 60 VAL QG 1 64 TRP HA . . 8.400 3.787 3.787 3.787 . 0 0 "[ ]" 1 623 1 60 VAL QG 1 64 TRP HB2 . . 6.900 2.156 2.156 2.156 . 0 0 "[ ]" 1 624 1 60 VAL QG 1 64 TRP HB3 . . 7.400 2.312 2.312 2.312 . 0 0 "[ ]" 1 625 1 60 VAL QG 1 64 TRP HE3 . . 8.000 2.799 2.799 2.799 . 0 0 "[ ]" 1 626 1 60 VAL QG 1 65 LYS H . . 7.900 3.130 3.130 3.130 . 0 0 "[ ]" 1 627 1 60 VAL QG 1 65 LYS HA . . 5.100 2.792 2.792 2.792 . 0 0 "[ ]" 1 628 1 60 VAL QG 1 67 TYR H . . 8.400 4.040 4.040 4.040 . 0 0 "[ ]" 1 629 1 60 VAL QG 1 67 TYR QD . . 10.400 3.737 3.737 3.737 . 0 0 "[ ]" 1 630 1 60 VAL QG 1 68 ILE H . . 7.700 3.829 3.829 3.829 . 0 0 "[ ]" 1 631 1 60 VAL QG 1 68 ILE MD . . 8.200 1.818 1.818 1.818 . 0 0 "[ ]" 1 632 1 61 PRO HA 1 62 GLU H . . 2.400 2.308 2.308 2.308 . 0 0 "[ ]" 1 633 1 61 PRO HA 1 63 GLU H . . 5.400 4.431 4.431 4.431 . 0 0 "[ ]" 1 634 1 61 PRO HB2 1 62 GLU H . . 3.900 3.791 3.791 3.791 . 0 0 "[ ]" 1 635 1 61 PRO HB2 1 63 GLU H . . 3.600 3.250 3.250 3.250 . 0 0 "[ ]" 1 636 1 61 PRO HB2 1 64 TRP H . . 3.600 2.952 2.952 2.952 . 0 0 "[ ]" 1 637 1 61 PRO HB2 1 64 TRP HB2 . . 6.000 3.284 3.284 3.284 . 0 0 "[ ]" 1 638 1 61 PRO HB2 1 64 TRP HB3 . . 6.000 5.028 5.028 5.028 . 0 0 "[ ]" 1 639 1 61 PRO HB2 1 64 TRP HE3 . . 4.600 4.383 4.383 4.383 . 0 0 "[ ]" 1 640 1 61 PRO HB3 1 62 GLU H . . 3.600 3.271 3.271 3.271 . 0 0 "[ ]" 1 641 1 61 PRO HB3 1 63 GLU H . . 5.200 3.637 3.637 3.637 . 0 0 "[ ]" 1 642 1 61 PRO HB3 1 64 TRP HE3 . . 6.000 5.836 5.836 5.836 . 0 0 "[ ]" 1 643 1 61 PRO HD2 1 64 TRP HB2 . . 3.700 2.860 2.860 2.860 . 0 0 "[ ]" 1 644 1 61 PRO HD2 1 64 TRP HB3 . . 4.100 4.112 4.112 4.112 0.012 1 0 "[ ]" 1 645 1 61 PRO HD2 1 64 TRP HE3 . . 4.000 2.522 2.522 2.522 . 0 0 "[ ]" 1 646 1 61 PRO HD3 1 64 TRP HE3 . . 6.000 3.988 3.988 3.988 . 0 0 "[ ]" 1 647 1 61 PRO QG 1 64 TRP H . . 6.880 4.755 4.755 4.755 . 0 0 "[ ]" 1 648 1 61 PRO QG 1 64 TRP HE3 . . 5.080 3.717 3.717 3.717 . 0 0 "[ ]" 1 649 1 61 PRO QG 1 64 TRP HZ3 . . 6.880 4.475 4.475 4.475 . 0 0 "[ ]" 1 650 1 61 PRO O 1 64 TRP H . . 2.400 1.863 1.863 1.863 . 0 0 "[ ]" 1 651 1 61 PRO O 1 64 TRP N . . 3.300 2.677 2.677 2.677 . 0 0 "[ ]" 1 652 1 62 GLU H 1 62 GLU HA . . 2.900 2.656 2.656 2.656 . 0 0 "[ ]" 1 653 1 62 GLU H 1 62 GLU HB2 . . 2.800 1.988 1.988 1.988 . 0 0 "[ ]" 1 654 1 62 GLU H 1 62 GLU HB3 . . 3.000 3.248 3.248 3.248 0.248 1 0 "[ ]" 1 655 1 62 GLU H 1 63 GLU H . . 3.900 3.137 3.137 3.137 . 0 0 "[ ]" 1 656 1 62 GLU HA 1 65 LYS H . . 3.100 2.854 2.854 2.854 . 0 0 "[ ]" 1 657 1 62 GLU HA 1 65 LYS HB2 . . 2.500 2.295 2.295 2.295 . 0 0 "[ ]" 1 658 1 62 GLU HA 1 65 LYS HB3 . . 3.500 3.575 3.575 3.575 0.075 1 0 "[ ]" 1 659 1 62 GLU HA 1 65 LYS QD . . 5.400 3.997 3.997 3.997 . 0 0 "[ ]" 1 660 1 62 GLU HA 1 65 LYS QE . . 5.900 4.289 4.289 4.289 . 0 0 "[ ]" 1 661 1 62 GLU HA 1 65 LYS QG . . 6.100 1.947 1.947 1.947 . 0 0 "[ ]" 1 662 1 62 GLU HB2 1 63 GLU H . . 4.200 2.800 2.800 2.800 . 0 0 "[ ]" 1 663 1 62 GLU HB2 1 65 LYS QD . . 7.000 6.311 6.311 6.311 . 0 0 "[ ]" 1 664 1 62 GLU HB3 1 63 GLU H . . 3.200 3.209 3.209 3.209 0.009 1 0 "[ ]" 1 665 1 62 GLU HB3 1 65 LYS QG . . 5.700 4.104 4.104 4.104 . 0 0 "[ ]" 1 666 1 62 GLU QG 1 65 LYS HB2 . . 5.480 3.982 3.982 3.982 . 0 0 "[ ]" 1 667 1 62 GLU QG 1 65 LYS HB3 . . 6.880 4.731 4.731 4.731 . 0 0 "[ ]" 1 668 1 62 GLU HG2 1 63 GLU H . . 6.000 5.116 5.116 5.116 . 0 0 "[ ]" 1 669 1 62 GLU HG3 1 63 GLU H . . 6.000 5.116 5.116 5.116 . 0 0 "[ ]" 1 670 1 62 GLU O 1 65 LYS H . . 2.400 2.274 2.274 2.274 . 0 0 "[ ]" 1 671 1 62 GLU O 1 65 LYS N . . 3.300 3.112 3.112 3.112 . 0 0 "[ ]" 1 672 1 63 GLU H 1 63 GLU HB2 . . 2.800 2.665 2.665 2.665 . 0 0 "[ ]" 1 673 1 63 GLU H 1 63 GLU HB3 . . 3.900 3.577 3.577 3.577 . 0 0 "[ ]" 1 674 1 63 GLU H 1 64 TRP H . . 3.100 2.788 2.788 2.788 . 0 0 "[ ]" 1 675 1 63 GLU H 1 65 LYS H . . 5.000 4.008 4.008 4.008 . 0 0 "[ ]" 1 676 1 63 GLU HA 1 63 GLU HB2 . . 3.000 3.039 3.039 3.039 0.039 1 0 "[ ]" 1 677 1 63 GLU HA 1 65 LYS H . . 4.800 4.438 4.438 4.438 . 0 0 "[ ]" 1 678 1 63 GLU HB2 1 64 TRP H . . 4.200 2.597 2.597 2.597 . 0 0 "[ ]" 1 679 1 63 GLU HB2 1 64 TRP HA . . 5.300 4.406 4.406 4.406 . 0 0 "[ ]" 1 680 1 63 GLU HB2 1 64 TRP HE3 . . 6.000 5.624 5.624 5.624 . 0 0 "[ ]" 1 681 1 63 GLU HB3 1 64 TRP H . . 4.800 3.748 3.748 3.748 . 0 0 "[ ]" 1 682 1 63 GLU HB3 1 64 TRP HE1 . . 6.000 4.599 4.599 4.599 . 0 0 "[ ]" 1 683 1 63 GLU QG 1 64 TRP H . . 7.000 4.318 4.318 4.318 . 0 0 "[ ]" 1 684 1 63 GLU QG 1 64 TRP HD1 . . 7.000 5.278 5.278 5.278 . 0 0 "[ ]" 1 685 1 63 GLU QG 1 64 TRP HE1 . . 7.000 5.819 5.819 5.819 . 0 0 "[ ]" 1 686 1 64 TRP H 1 64 TRP HB2 . . 3.000 2.327 2.327 2.327 . 0 0 "[ ]" 1 687 1 64 TRP H 1 64 TRP HB3 . . 3.600 3.590 3.590 3.590 . 0 0 "[ ]" 1 688 1 64 TRP H 1 64 TRP HE3 . . 5.600 4.953 4.953 4.953 . 0 0 "[ ]" 1 689 1 64 TRP H 1 65 LYS H . . 2.900 2.411 2.411 2.411 . 0 0 "[ ]" 1 690 1 64 TRP HA 1 64 TRP HB2 . . 3.000 3.018 3.018 3.018 0.018 1 0 "[ ]" 1 691 1 64 TRP HA 1 64 TRP HB3 . . 2.700 2.536 2.536 2.536 . 0 0 "[ ]" 1 692 1 64 TRP HA 1 64 TRP HD1 . . 2.400 2.258 2.258 2.258 . 0 0 "[ ]" 1 693 1 64 TRP HA 1 64 TRP HE1 . . 5.300 4.740 4.740 4.740 . 0 0 "[ ]" 1 694 1 64 TRP HA 1 65 LYS H . . 3.500 3.468 3.468 3.468 . 0 0 "[ ]" 1 695 1 64 TRP HA 1 67 TYR H . . 3.900 3.048 3.048 3.048 . 0 0 "[ ]" 1 696 1 64 TRP HA 1 67 TYR HB2 . . 4.400 4.109 4.109 4.109 . 0 0 "[ ]" 1 697 1 64 TRP HA 1 67 TYR QD . . 5.500 2.389 2.389 2.389 . 0 0 "[ ]" 1 698 1 64 TRP HA 1 67 TYR QE . . 7.100 3.464 3.464 3.464 . 0 0 "[ ]" 1 699 1 64 TRP HB2 1 64 TRP HD1 . . 3.800 3.751 3.751 3.751 . 0 0 "[ ]" 1 700 1 64 TRP HB2 1 64 TRP HE3 . . 2.900 2.852 2.852 2.852 . 0 0 "[ ]" 1 701 1 64 TRP HB2 1 65 LYS H . . 4.400 3.626 3.626 3.626 . 0 0 "[ ]" 1 702 1 64 TRP HB2 1 67 TYR QD . . 6.600 3.960 3.960 3.960 . 0 0 "[ ]" 1 703 1 64 TRP HB2 1 67 TYR QE . . 7.600 5.179 5.179 5.179 . 0 0 "[ ]" 1 704 1 64 TRP HB3 1 64 TRP HD1 . . 3.600 3.521 3.521 3.521 . 0 0 "[ ]" 1 705 1 64 TRP HB3 1 64 TRP HE3 . . 3.700 3.163 3.163 3.163 . 0 0 "[ ]" 1 706 1 64 TRP HB3 1 65 LYS H . . 5.100 4.290 4.290 4.290 . 0 0 "[ ]" 1 707 1 64 TRP HB3 1 67 TYR H . . 4.900 4.020 4.020 4.020 . 0 0 "[ ]" 1 708 1 64 TRP HB3 1 67 TYR QD . . 5.300 2.397 2.397 2.397 . 0 0 "[ ]" 1 709 1 64 TRP HB3 1 67 TYR QE . . 7.200 4.000 4.000 4.000 . 0 0 "[ ]" 1 710 1 64 TRP HD1 1 67 TYR QD . . 6.300 3.392 3.392 3.392 . 0 0 "[ ]" 1 711 1 64 TRP HD1 1 67 TYR QE . . 6.600 2.723 2.723 2.723 . 0 0 "[ ]" 1 712 1 64 TRP HE1 1 67 TYR QD . . 8.000 5.052 5.052 5.052 . 0 0 "[ ]" 1 713 1 64 TRP HE1 1 67 TYR QE . . 8.000 3.402 3.402 3.402 . 0 0 "[ ]" 1 714 1 65 LYS H 1 65 LYS HB2 . . 2.800 2.188 2.188 2.188 . 0 0 "[ ]" 1 715 1 65 LYS H 1 65 LYS HB3 . . 3.200 3.401 3.401 3.401 0.201 1 0 "[ ]" 1 716 1 65 LYS H 1 65 LYS QD . . 5.100 3.814 3.814 3.814 . 0 0 "[ ]" 1 717 1 65 LYS HA 1 65 LYS HB3 . . 2.800 2.600 2.600 2.600 . 0 0 "[ ]" 1 718 1 65 LYS HA 1 65 LYS QD . . 5.100 2.306 2.306 2.306 . 0 0 "[ ]" 1 719 1 65 LYS HA 1 68 ILE H . . 3.800 2.889 2.889 2.889 . 0 0 "[ ]" 1 720 1 65 LYS HA 1 68 ILE HB . . 2.800 2.556 2.556 2.556 . 0 0 "[ ]" 1 721 1 65 LYS HA 1 68 ILE MD . . 7.000 2.451 2.451 2.451 . 0 0 "[ ]" 1 722 1 65 LYS HA 1 68 ILE HG12 . . 4.700 3.205 3.205 3.205 . 0 0 "[ ]" 1 723 1 65 LYS HA 1 68 ILE QG . . 4.230 3.147 3.147 3.147 . 0 0 "[ ]" 1 724 1 65 LYS HA 1 68 ILE HG13 . . 4.700 4.589 4.589 4.589 . 0 0 "[ ]" 1 725 1 65 LYS QD 1 68 ILE MG . . 8.000 3.201 3.201 3.201 . 0 0 "[ ]" 1 726 1 65 LYS QG 1 68 ILE HB . . 7.000 4.708 4.708 4.708 . 0 0 "[ ]" 1 727 1 65 LYS QG 1 68 ILE MD . . 7.000 4.411 4.411 4.411 . 0 0 "[ ]" 1 728 1 66 SER HA 1 66 SER HB2 . . 2.900 2.990 2.990 2.990 0.090 1 0 "[ ]" 1 729 1 66 SER HA 1 66 SER QB . . 2.660 2.251 2.251 2.251 . 0 0 "[ ]" 1 730 1 66 SER HA 1 66 SER HB3 . . 2.900 2.328 2.328 2.328 . 0 0 "[ ]" 1 731 1 66 SER HA 1 68 ILE H . . 4.300 4.318 4.318 4.318 0.018 1 0 "[ ]" 1 732 1 66 SER HA 1 69 GLN H . . 5.700 3.651 3.651 3.651 . 0 0 "[ ]" 1 733 1 66 SER HA 1 70 LYS H . . 5.700 4.206 4.206 4.206 . 0 0 "[ ]" 1 734 1 66 SER O 1 70 LYS H . . 2.400 1.919 1.919 1.919 . 0 0 "[ ]" 1 735 1 66 SER O 1 70 LYS N . . 3.300 2.885 2.885 2.885 . 0 0 "[ ]" 1 736 1 67 TYR H 1 67 TYR HB2 . . 2.700 2.450 2.450 2.450 . 0 0 "[ ]" 1 737 1 67 TYR H 1 67 TYR QE . . 6.700 4.647 4.647 4.647 . 0 0 "[ ]" 1 738 1 67 TYR H 1 68 ILE H . . 3.300 2.658 2.658 2.658 . 0 0 "[ ]" 1 739 1 67 TYR H 1 68 ILE MG . . 7.000 5.729 5.729 5.729 . 0 0 "[ ]" 1 740 1 67 TYR HA 1 67 TYR HB2 . . 3.000 3.029 3.029 3.029 0.029 1 0 "[ ]" 1 741 1 67 TYR HA 1 69 GLN H . . 4.600 4.454 4.454 4.454 . 0 0 "[ ]" 1 742 1 67 TYR HA 1 70 LYS H . . 3.200 3.000 3.000 3.000 . 0 0 "[ ]" 1 743 1 67 TYR HA 1 70 LYS HB2 . . 2.900 2.933 2.933 2.933 0.033 1 0 "[ ]" 1 744 1 67 TYR HA 1 70 LYS HB3 . . 2.600 2.373 2.373 2.373 . 0 0 "[ ]" 1 745 1 67 TYR HA 1 71 ASN H . . 3.700 3.588 3.588 3.588 . 0 0 "[ ]" 1 746 1 67 TYR HB2 1 68 ILE H . . 4.200 3.076 3.076 3.076 . 0 0 "[ ]" 1 747 1 67 TYR HB2 1 71 ASN QD . . 6.800 3.744 3.744 3.744 . 0 0 "[ ]" 1 748 1 67 TYR HB3 1 68 ILE H . . 4.900 3.864 3.864 3.864 . 0 0 "[ ]" 1 749 1 67 TYR HB3 1 71 ASN H . . 4.100 4.228 4.228 4.228 0.128 1 0 "[ ]" 1 750 1 67 TYR HB3 1 71 ASN QD . . 6.500 2.365 2.365 2.365 . 0 0 "[ ]" 1 751 1 67 TYR QD 1 68 ILE H . . 8.000 4.610 4.610 4.610 . 0 0 "[ ]" 1 752 1 67 TYR QD 1 70 LYS HB2 . . 8.000 4.426 4.426 4.426 . 0 0 "[ ]" 1 753 1 67 TYR QD 1 70 LYS HB3 . . 8.000 3.513 3.513 3.513 . 0 0 "[ ]" 1 754 1 67 TYR QD 1 70 LYS HG2 . . 6.300 3.992 3.992 3.992 . 0 0 "[ ]" 1 755 1 67 TYR QD 1 70 LYS HG3 . . 8.000 4.913 4.913 4.913 . 0 0 "[ ]" 1 756 1 67 TYR QD 1 71 ASN H . . 6.800 4.951 4.951 4.951 . 0 0 "[ ]" 1 757 1 67 TYR QD 1 71 ASN QD . . 8.400 3.281 3.281 3.281 . 0 0 "[ ]" 1 758 1 67 TYR O 1 71 ASN H . . 2.400 1.746 1.746 1.746 . 0 0 "[ ]" 1 759 1 67 TYR O 1 71 ASN N . . 3.300 2.745 2.745 2.745 . 0 0 "[ ]" 1 760 1 68 ILE H 1 68 ILE HB . . 2.600 2.162 2.162 2.162 . 0 0 "[ ]" 1 761 1 68 ILE H 1 68 ILE MD . . 3.500 2.178 2.178 2.178 . 0 0 "[ ]" 1 762 1 68 ILE H 1 68 ILE HG12 . . 4.200 3.717 3.717 3.717 . 0 0 "[ ]" 1 763 1 68 ILE H 1 68 ILE QG . . 3.770 3.406 3.406 3.406 . 0 0 "[ ]" 1 764 1 68 ILE H 1 68 ILE HG13 . . 4.200 3.953 3.953 3.953 . 0 0 "[ ]" 1 765 1 68 ILE H 1 68 ILE MG . . 4.200 3.581 3.581 3.581 . 0 0 "[ ]" 1 766 1 68 ILE H 1 69 GLN H . . 3.000 2.457 2.457 2.457 . 0 0 "[ ]" 1 767 1 68 ILE H 1 70 LYS H . . 4.700 3.916 3.916 3.916 . 0 0 "[ ]" 1 768 1 68 ILE HA 1 68 ILE HG12 . . 3.900 3.678 3.678 3.678 . 0 0 "[ ]" 1 769 1 68 ILE HA 1 68 ILE QG . . 3.700 2.536 2.536 2.536 . 0 0 "[ ]" 1 770 1 68 ILE HA 1 68 ILE HG13 . . 3.900 2.584 2.584 2.584 . 0 0 "[ ]" 1 771 1 68 ILE HA 1 68 ILE MG . . 3.400 2.628 2.628 2.628 . 0 0 "[ ]" 1 772 1 68 ILE HA 1 71 ASN H . . 4.300 3.504 3.504 3.504 . 0 0 "[ ]" 1 773 1 68 ILE HA 1 71 ASN HB2 . . 2.900 2.504 2.504 2.504 . 0 0 "[ ]" 1 774 1 68 ILE HA 1 71 ASN HB3 . . 4.000 4.028 4.028 4.028 0.028 1 0 "[ ]" 1 775 1 68 ILE HA 1 71 ASN QD . . 7.000 3.429 3.429 3.429 . 0 0 "[ ]" 1 776 1 68 ILE HB 1 68 ILE MD . . 3.400 2.554 2.554 2.554 . 0 0 "[ ]" 1 777 1 68 ILE HB 1 68 ILE HG12 . . 3.000 2.325 2.325 2.325 . 0 0 "[ ]" 1 778 1 68 ILE HB 1 68 ILE HG13 . . 3.000 3.012 3.012 3.012 0.012 1 0 "[ ]" 1 779 1 68 ILE HB 1 69 GLN H . . 2.900 2.652 2.652 2.652 . 0 0 "[ ]" 1 780 1 68 ILE HG12 1 68 ILE MG . . 3.700 2.366 2.366 2.366 . 0 0 "[ ]" 1 781 1 68 ILE HG12 1 69 GLN H . . 6.000 4.923 4.923 4.923 . 0 0 "[ ]" 1 782 1 68 ILE HG13 1 68 ILE MG . . 3.700 2.336 2.336 2.336 . 0 0 "[ ]" 1 783 1 68 ILE HG13 1 69 GLN H . . 6.000 5.079 5.079 5.079 . 0 0 "[ ]" 1 784 1 68 ILE MG 1 69 GLN H . . 4.700 2.937 2.937 2.937 . 0 0 "[ ]" 1 785 1 68 ILE MG 1 71 ASN HB3 . . 6.200 5.138 5.138 5.138 . 0 0 "[ ]" 1 786 1 68 ILE MG 1 72 ARG HE . . 7.200 4.725 4.725 4.725 . 0 0 "[ ]" 1 787 1 69 GLN H 1 69 GLN HB2 . . 2.900 2.380 2.380 2.380 . 0 0 "[ ]" 1 788 1 69 GLN H 1 69 GLN HB3 . . 2.800 2.679 2.679 2.679 . 0 0 "[ ]" 1 789 1 69 GLN HA 1 69 GLN HB2 . . 2.900 2.541 2.541 2.541 . 0 0 "[ ]" 1 790 1 69 GLN HA 1 69 GLN HG2 . . 4.000 3.749 3.749 3.749 . 0 0 "[ ]" 1 791 1 69 GLN HA 1 69 GLN QG . . 3.800 2.869 2.869 2.869 . 0 0 "[ ]" 1 792 1 69 GLN HA 1 69 GLN HG3 . . 4.000 2.979 2.979 2.979 . 0 0 "[ ]" 1 793 1 69 GLN HA 1 70 LYS H . . 3.600 3.610 3.610 3.610 0.010 1 0 "[ ]" 1 794 1 69 GLN HA 1 72 ARG H . . 3.600 3.535 3.535 3.535 . 0 0 "[ ]" 1 795 1 69 GLN HA 1 72 ARG QB . . 3.780 2.629 2.629 2.629 . 0 0 "[ ]" 1 796 1 69 GLN HB2 1 70 LYS H . . 3.900 3.832 3.832 3.832 . 0 0 "[ ]" 1 797 1 69 GLN HB3 1 69 GLN HE22 . . 5.600 5.198 5.198 5.198 . 0 0 "[ ]" 1 798 1 69 GLN HB3 1 70 LYS H . . 3.000 2.584 2.584 2.584 . 0 0 "[ ]" 1 799 1 69 GLN QE 1 72 ARG QD . . 7.740 3.167 3.167 3.167 . 0 0 "[ ]" 1 800 1 69 GLN QG 1 72 ARG QB . . 6.820 4.033 4.033 4.033 . 0 0 "[ ]" 1 801 1 69 GLN QG 1 72 ARG QD . . 6.650 5.293 5.293 5.293 . 0 0 "[ ]" 1 802 1 69 GLN HG2 1 70 LYS H . . 6.000 4.757 4.757 4.757 . 0 0 "[ ]" 1 803 1 69 GLN HG2 1 72 ARG HB2 . . 7.750 6.675 6.675 6.675 . 0 0 "[ ]" 1 804 1 69 GLN HG2 1 72 ARG HB3 . . 7.750 5.733 5.733 5.733 . 0 0 "[ ]" 1 805 1 69 GLN HG3 1 70 LYS H . . 6.000 4.028 4.028 4.028 . 0 0 "[ ]" 1 806 1 69 GLN HG3 1 72 ARG HB2 . . 7.750 5.496 5.496 5.496 . 0 0 "[ ]" 1 807 1 69 GLN HG3 1 72 ARG HB3 . . 7.750 4.306 4.306 4.306 . 0 0 "[ ]" 1 808 1 69 GLN O 1 73 ASP H . . 2.400 1.879 1.879 1.879 . 0 0 "[ ]" 1 809 1 69 GLN O 1 73 ASP N . . 3.300 2.884 2.884 2.884 . 0 0 "[ ]" 1 810 1 70 LYS H 1 70 LYS HB2 . . 3.600 2.427 2.427 2.427 . 0 0 "[ ]" 1 811 1 70 LYS H 1 70 LYS HB3 . . 3.000 2.621 2.621 2.621 . 0 0 "[ ]" 1 812 1 70 LYS H 1 70 LYS HG2 . . 4.900 4.644 4.644 4.644 . 0 0 "[ ]" 1 813 1 70 LYS H 1 70 LYS HG3 . . 4.700 4.499 4.499 4.499 . 0 0 "[ ]" 1 814 1 70 LYS H 1 71 ASN H . . 2.700 2.743 2.743 2.743 0.043 1 0 "[ ]" 1 815 1 70 LYS HA 1 70 LYS HB2 . . 2.900 2.567 2.567 2.567 . 0 0 "[ ]" 1 816 1 70 LYS HA 1 70 LYS HB3 . . 3.000 3.040 3.040 3.040 0.040 1 0 "[ ]" 1 817 1 70 LYS HA 1 70 LYS HG3 . . 3.100 3.040 3.040 3.040 . 0 0 "[ ]" 1 818 1 70 LYS HA 1 71 ASN H . . 3.500 3.504 3.504 3.504 0.004 1 0 "[ ]" 1 819 1 70 LYS HA 1 73 ASP H . . 3.400 3.474 3.474 3.474 0.074 1 0 "[ ]" 1 820 1 70 LYS HA 1 73 ASP HB2 . . 3.700 3.431 3.431 3.431 . 0 0 "[ ]" 1 821 1 70 LYS HA 1 73 ASP HB3 . . 2.500 2.253 2.253 2.253 . 0 0 "[ ]" 1 822 1 70 LYS HA 1 74 PHE QE . . 8.000 5.405 5.405 5.405 . 0 0 "[ ]" 1 823 1 70 LYS HB2 1 70 LYS HG2 . . 2.900 2.519 2.519 2.519 . 0 0 "[ ]" 1 824 1 70 LYS HB2 1 70 LYS HG3 . . 3.000 3.035 3.035 3.035 0.035 1 0 "[ ]" 1 825 1 70 LYS HB2 1 71 ASN H . . 3.700 3.730 3.730 3.730 0.030 1 0 "[ ]" 1 826 1 70 LYS HB3 1 71 ASN H . . 3.000 2.436 2.436 2.436 . 0 0 "[ ]" 1 827 1 70 LYS HB3 1 71 ASN QD . . 7.000 3.091 3.091 3.091 . 0 0 "[ ]" 1 828 1 70 LYS QE 1 71 ASN HA . . 7.000 5.620 5.620 5.620 . 0 0 "[ ]" 1 829 1 70 LYS QE 1 74 PHE HZ . . 7.000 3.671 3.671 3.671 . 0 0 "[ ]" 1 830 1 70 LYS HG2 1 71 ASN H . . 5.000 4.590 4.590 4.590 . 0 0 "[ ]" 1 831 1 70 LYS HG2 1 74 PHE QE . . 7.700 3.013 3.013 3.013 . 0 0 "[ ]" 1 832 1 70 LYS HG2 1 74 PHE HZ . . 5.100 5.133 5.133 5.133 0.033 1 0 "[ ]" 1 833 1 70 LYS HG3 1 71 ASN H . . 6.000 3.766 3.766 3.766 . 0 0 "[ ]" 1 834 1 70 LYS HG3 1 74 PHE HZ . . 6.000 4.753 4.753 4.753 . 0 0 "[ ]" 1 835 1 70 LYS O 1 74 PHE H . . 2.400 1.864 1.864 1.864 . 0 0 "[ ]" 1 836 1 70 LYS O 1 74 PHE N . . 3.300 2.807 2.807 2.807 . 0 0 "[ ]" 1 837 1 71 ASN H 1 71 ASN HB2 . . 3.000 2.289 2.289 2.289 . 0 0 "[ ]" 1 838 1 71 ASN H 1 71 ASN QD . . 3.900 2.304 2.304 2.304 . 0 0 "[ ]" 1 839 1 71 ASN H 1 72 ARG H . . 2.900 2.839 2.839 2.839 . 0 0 "[ ]" 1 840 1 71 ASN HA 1 71 ASN HB2 . . 2.900 2.981 2.981 2.981 0.081 1 0 "[ ]" 1 841 1 71 ASN HA 1 71 ASN HB3 . . 3.000 2.592 2.592 2.592 . 0 0 "[ ]" 1 842 1 71 ASN HA 1 72 ARG H . . 3.600 3.618 3.618 3.618 0.018 1 0 "[ ]" 1 843 1 71 ASN HA 1 73 ASP H . . 5.100 4.656 4.656 4.656 . 0 0 "[ ]" 1 844 1 71 ASN HA 1 74 PHE QB . . 3.680 2.805 2.805 2.805 . 0 0 "[ ]" 1 845 1 71 ASN HA 1 74 PHE QD . . 8.000 2.545 2.545 2.545 . 0 0 "[ ]" 1 846 1 71 ASN HA 1 75 PHE QE . . 8.000 3.409 3.409 3.409 . 0 0 "[ ]" 1 847 1 71 ASN HB2 1 72 ARG H . . 3.700 2.886 2.886 2.886 . 0 0 "[ ]" 1 848 1 71 ASN HB2 1 75 PHE QD . . 8.000 6.292 6.292 6.292 . 0 0 "[ ]" 1 849 1 71 ASN HB3 1 72 ARG H . . 3.500 3.475 3.475 3.475 . 0 0 "[ ]" 1 850 1 72 ARG H 1 72 ARG HB2 . . 2.800 2.150 2.150 2.150 . 0 0 "[ ]" 1 851 1 72 ARG H 1 72 ARG QB . . 2.510 2.038 2.038 2.038 . 0 0 "[ ]" 1 852 1 72 ARG H 1 72 ARG HB3 . . 2.800 2.528 2.528 2.528 . 0 0 "[ ]" 1 853 1 72 ARG H 1 72 ARG HE . . 4.500 4.656 4.656 4.656 0.156 1 0 "[ ]" 1 854 1 72 ARG H 1 73 ASP H . . 2.900 2.591 2.591 2.591 . 0 0 "[ ]" 1 855 1 72 ARG H 1 73 ASP HB2 . . 4.700 4.775 4.775 4.775 0.075 1 0 "[ ]" 1 856 1 72 ARG H 1 73 ASP HB3 . . 4.200 4.283 4.283 4.283 0.083 1 0 "[ ]" 1 857 1 72 ARG HA 1 72 ARG HB2 . . 3.000 2.513 2.513 2.513 . 0 0 "[ ]" 1 858 1 72 ARG HA 1 72 ARG HB3 . . 3.000 3.036 3.036 3.036 0.036 1 0 "[ ]" 1 859 1 72 ARG HA 1 72 ARG HD2 . . 4.900 4.150 4.150 4.150 . 0 0 "[ ]" 1 860 1 72 ARG HA 1 72 ARG QD . . 4.210 3.805 3.805 3.805 . 0 0 "[ ]" 1 861 1 72 ARG HA 1 72 ARG HD3 . . 4.900 4.424 4.424 4.424 . 0 0 "[ ]" 1 862 1 72 ARG HA 1 72 ARG HE . . 3.000 2.787 2.787 2.787 . 0 0 "[ ]" 1 863 1 72 ARG HA 1 72 ARG QG . . 3.730 2.373 2.373 2.373 . 0 0 "[ ]" 1 864 1 72 ARG QB 1 72 ARG HE . . 4.210 2.948 2.948 2.948 . 0 0 "[ ]" 1 865 1 72 ARG HB2 1 72 ARG HD2 . . 4.200 2.265 2.265 2.265 . 0 0 "[ ]" 1 866 1 72 ARG HB2 1 72 ARG HD3 . . 4.200 3.474 3.474 3.474 . 0 0 "[ ]" 1 867 1 72 ARG HB2 1 72 ARG HE . . 4.400 3.017 3.017 3.017 . 0 0 "[ ]" 1 868 1 72 ARG HB2 1 73 ASP H . . 3.300 3.345 3.345 3.345 0.045 1 0 "[ ]" 1 869 1 72 ARG HB3 1 72 ARG HD2 . . 4.200 2.964 2.964 2.964 . 0 0 "[ ]" 1 870 1 72 ARG HB3 1 72 ARG HD3 . . 4.200 3.918 3.918 3.918 . 0 0 "[ ]" 1 871 1 72 ARG HB3 1 72 ARG HE . . 4.400 4.146 4.146 4.146 . 0 0 "[ ]" 1 872 1 72 ARG HB3 1 73 ASP H . . 3.300 2.067 2.067 2.067 . 0 0 "[ ]" 1 873 1 72 ARG QG 1 76 LYS QE . . 7.880 4.049 4.049 4.049 . 0 0 "[ ]" 1 874 1 72 ARG QG 1 76 LYS HG2 . . 4.280 3.629 3.629 3.629 . 0 0 "[ ]" 1 875 1 72 ARG QG 1 76 LYS HG3 . . 6.480 4.705 4.705 4.705 . 0 0 "[ ]" 1 876 1 72 ARG HG2 1 73 ASP H . . 6.000 3.813 3.813 3.813 . 0 0 "[ ]" 1 877 1 72 ARG HG3 1 73 ASP H . . 6.000 4.199 4.199 4.199 . 0 0 "[ ]" 1 878 1 72 ARG O 1 75 PHE H . . 2.400 2.628 2.628 2.628 0.228 1 0 "[ ]" 1 879 1 72 ARG O 1 75 PHE N . . 3.300 3.430 3.430 3.430 0.130 1 0 "[ ]" 1 880 1 73 ASP H 1 73 ASP HB2 . . 3.300 2.379 2.379 2.379 . 0 0 "[ ]" 1 881 1 73 ASP H 1 73 ASP HB3 . . 3.000 2.163 2.163 2.163 . 0 0 "[ ]" 1 882 1 73 ASP H 1 74 PHE H . . 3.400 2.814 2.814 2.814 . 0 0 "[ ]" 1 883 1 73 ASP H 1 77 LYS QE . . 7.000 6.284 6.284 6.284 . 0 0 "[ ]" 1 884 1 73 ASP HA 1 73 ASP HB2 . . 2.900 2.415 2.415 2.415 . 0 0 "[ ]" 1 885 1 73 ASP HA 1 76 LYS H . . 3.300 3.304 3.304 3.304 0.004 1 0 "[ ]" 1 886 1 73 ASP HA 1 76 LYS HB2 . . 2.900 2.526 2.526 2.526 . 0 0 "[ ]" 1 887 1 73 ASP HA 1 76 LYS HB3 . . 3.700 3.709 3.709 3.709 0.009 1 0 "[ ]" 1 888 1 73 ASP HA 1 76 LYS QE . . 6.700 5.192 5.192 5.192 . 0 0 "[ ]" 1 889 1 73 ASP HA 1 76 LYS HG2 . . 4.800 4.835 4.835 4.835 0.035 1 0 "[ ]" 1 890 1 73 ASP HA 1 76 LYS HG3 . . 5.700 5.602 5.602 5.602 . 0 0 "[ ]" 1 891 1 73 ASP HB2 1 74 PHE H . . 3.900 3.907 3.907 3.907 0.007 1 0 "[ ]" 1 892 1 73 ASP HB3 1 74 PHE H . . 3.300 2.541 2.541 2.541 . 0 0 "[ ]" 1 893 1 73 ASP O 1 76 LYS H . . 2.400 2.607 2.607 2.607 0.207 1 0 "[ ]" 1 894 1 73 ASP O 1 76 LYS N . . 3.300 3.216 3.216 3.216 . 0 0 "[ ]" 1 895 1 74 PHE H 1 74 PHE HB2 . . 3.600 2.210 2.210 2.210 . 0 0 "[ ]" 1 896 1 74 PHE H 1 74 PHE QB . . 3.150 2.187 2.187 2.187 . 0 0 "[ ]" 1 897 1 74 PHE H 1 74 PHE HB3 . . 3.600 3.479 3.479 3.479 . 0 0 "[ ]" 1 898 1 74 PHE H 1 75 PHE H . . 3.200 3.077 3.077 3.077 . 0 0 "[ ]" 1 899 1 74 PHE HA 1 74 PHE HB2 . . 2.900 2.908 2.908 2.908 0.008 1 0 "[ ]" 1 900 1 74 PHE HA 1 74 PHE QB . . 2.660 2.499 2.499 2.499 . 0 0 "[ ]" 1 901 1 74 PHE HA 1 74 PHE HB3 . . 2.900 2.723 2.723 2.723 . 0 0 "[ ]" 1 902 1 74 PHE HA 1 74 PHE QE . . 5.900 4.457 4.457 4.457 . 0 0 "[ ]" 1 903 1 74 PHE HA 1 75 PHE H . . 3.600 3.545 3.545 3.545 . 0 0 "[ ]" 1 904 1 74 PHE QB 1 75 PHE H . . 3.990 2.515 2.515 2.515 . 0 0 "[ ]" 1 905 1 74 PHE HB2 1 75 PHE H . . 4.600 2.861 2.861 2.861 . 0 0 "[ ]" 1 906 1 74 PHE HB2 1 75 PHE QD . . 8.000 3.510 3.510 3.510 . 0 0 "[ ]" 1 907 1 74 PHE HB3 1 75 PHE H . . 4.600 2.788 2.788 2.788 . 0 0 "[ ]" 1 908 1 74 PHE HB3 1 75 PHE QD . . 8.000 3.273 3.273 3.273 . 0 0 "[ ]" 1 909 1 74 PHE QD 1 75 PHE QD . . 10.000 4.209 4.209 4.209 . 0 0 "[ ]" 1 910 1 74 PHE QD 1 75 PHE QE . . 9.500 3.424 3.424 3.424 . 0 0 "[ ]" 1 911 1 74 PHE QD 1 75 PHE HZ . . 7.000 3.980 3.980 3.980 . 0 0 "[ ]" 1 912 1 74 PHE QE 1 75 PHE QE . . 10.000 4.818 4.818 4.818 . 0 0 "[ ]" 1 913 1 75 PHE H 1 75 PHE HB2 . . 2.800 2.637 2.637 2.637 . 0 0 "[ ]" 1 914 1 75 PHE H 1 75 PHE HB3 . . 3.700 3.660 3.660 3.660 . 0 0 "[ ]" 1 915 1 75 PHE H 1 75 PHE QE . . 6.000 4.065 4.065 4.065 . 0 0 "[ ]" 1 916 1 75 PHE H 1 76 LYS H . . 3.000 2.262 2.262 2.262 . 0 0 "[ ]" 1 917 1 75 PHE HA 1 75 PHE HB2 . . 2.900 2.964 2.964 2.964 0.064 1 0 "[ ]" 1 918 1 75 PHE HA 1 75 PHE HB3 . . 2.700 2.333 2.333 2.333 . 0 0 "[ ]" 1 919 1 75 PHE HA 1 76 LYS H . . 3.600 3.502 3.502 3.502 . 0 0 "[ ]" 1 920 1 75 PHE HB3 1 76 LYS H . . 4.900 4.276 4.276 4.276 . 0 0 "[ ]" 1 921 1 76 LYS H 1 76 LYS HB2 . . 3.000 2.289 2.289 2.289 . 0 0 "[ ]" 1 922 1 76 LYS H 1 76 LYS HB3 . . 3.700 3.507 3.507 3.507 . 0 0 "[ ]" 1 923 1 76 LYS H 1 76 LYS QD . . 5.200 3.319 3.319 3.319 . 0 0 "[ ]" 1 924 1 76 LYS H 1 76 LYS QE . . 6.400 2.759 2.759 2.759 . 0 0 "[ ]" 1 925 1 76 LYS H 1 76 LYS HG2 . . 5.300 4.439 4.439 4.439 . 0 0 "[ ]" 1 926 1 76 LYS H 1 76 LYS HG3 . . 5.000 4.070 4.070 4.070 . 0 0 "[ ]" 1 927 1 76 LYS H 1 77 LYS H . . 4.300 3.889 3.889 3.889 . 0 0 "[ ]" 1 928 1 76 LYS HA 1 76 LYS HB3 . . 2.900 2.605 2.605 2.605 . 0 0 "[ ]" 1 929 1 76 LYS HB2 1 77 LYS H . . 4.900 4.693 4.693 4.693 . 0 0 "[ ]" 1 930 1 76 LYS HB3 1 77 LYS H . . 5.500 4.244 4.244 4.244 . 0 0 "[ ]" 1 931 1 76 LYS HB3 1 77 LYS QB . . 5.380 4.842 4.842 4.842 . 0 0 "[ ]" 1 932 1 76 LYS QD 1 77 LYS H . . 7.000 5.844 5.844 5.844 . 0 0 "[ ]" 1 933 1 77 LYS H 1 77 LYS HB2 . . 3.800 3.145 3.145 3.145 . 0 0 "[ ]" 1 934 1 77 LYS H 1 77 LYS QB . . 3.600 2.693 2.693 2.693 . 0 0 "[ ]" 1 935 1 77 LYS H 1 77 LYS HB3 . . 3.800 2.928 2.928 2.928 . 0 0 "[ ]" 1 936 1 77 LYS HA 1 77 LYS QD . . 4.400 2.212 2.212 2.212 . 0 0 "[ ]" 1 stop_ save_
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