NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
383396 | 1jwe | 4297 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1jwe 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 1170 _Distance_constraint_stats_list.Viol_count 2407 _Distance_constraint_stats_list.Viol_total 2883.984 _Distance_constraint_stats_list.Viol_max 0.357 _Distance_constraint_stats_list.Viol_rms 0.0199 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0062 _Distance_constraint_stats_list.Viol_average_violations_only 0.0599 _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 LYS 0.086 0.086 8 0 "[ . 1 . 2]" 1 3 VAL 0.437 0.086 8 0 "[ . 1 . 2]" 1 4 PRO 0.134 0.063 3 0 "[ . 1 . 2]" 1 5 PRO 0.000 0.000 . 0 "[ . 1 . 2]" 1 6 HIS 0.245 0.063 15 0 "[ . 1 . 2]" 1 7 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 8 ILE 2.275 0.095 20 0 "[ . 1 . 2]" 1 9 GLU 2.263 0.090 4 0 "[ . 1 . 2]" 1 10 ALA 2.602 0.090 4 0 "[ . 1 . 2]" 1 11 GLU 2.229 0.095 20 0 "[ . 1 . 2]" 1 12 GLN 1.592 0.089 14 0 "[ . 1 . 2]" 1 13 SER 1.826 0.078 4 0 "[ . 1 . 2]" 1 14 VAL 2.591 0.083 8 0 "[ . 1 . 2]" 1 15 LEU 0.751 0.078 8 0 "[ . 1 . 2]" 1 16 GLY 0.810 0.078 8 0 "[ . 1 . 2]" 1 17 GLY 1.444 0.083 8 0 "[ . 1 . 2]" 1 18 LEU 0.446 0.070 15 0 "[ . 1 . 2]" 1 19 MET 1.295 0.077 18 0 "[ . 1 . 2]" 1 20 LEU 2.242 0.088 11 0 "[ . 1 . 2]" 1 21 ASP 4.324 0.089 3 0 "[ . 1 . 2]" 1 22 ASN 1.662 0.089 3 0 "[ . 1 . 2]" 1 23 GLU 2.694 0.091 12 0 "[ . 1 . 2]" 1 24 ARG 1.546 0.084 11 0 "[ . 1 . 2]" 1 25 TRP 2.920 0.088 18 0 "[ . 1 . 2]" 1 26 ASP 6.281 0.103 15 0 "[ . 1 . 2]" 1 27 ASP 4.956 0.103 15 0 "[ . 1 . 2]" 1 28 VAL 2.193 0.096 15 0 "[ . 1 . 2]" 1 29 ALA 2.529 0.083 2 0 "[ . 1 . 2]" 1 30 GLU 8.186 0.104 10 0 "[ . 1 . 2]" 1 31 ARG 2.185 0.081 19 0 "[ . 1 . 2]" 1 32 VAL 5.455 0.099 19 0 "[ . 1 . 2]" 1 33 VAL 0.633 0.070 19 0 "[ . 1 . 2]" 1 34 ALA 0.614 0.075 8 0 "[ . 1 . 2]" 1 35 ASP 2.387 0.085 15 0 "[ . 1 . 2]" 1 36 ASP 3.046 0.085 7 0 "[ . 1 . 2]" 1 37 PHE 1.868 0.075 8 0 "[ . 1 . 2]" 1 38 TYR 0.276 0.082 11 0 "[ . 1 . 2]" 1 39 THR 2.489 0.109 11 0 "[ . 1 . 2]" 1 41 PRO 1.658 0.080 11 0 "[ . 1 . 2]" 1 42 HIS 2.883 0.089 14 0 "[ . 1 . 2]" 1 43 ARG 3.654 0.090 11 0 "[ . 1 . 2]" 1 44 HIS 7.657 0.112 11 0 "[ . 1 . 2]" 1 45 ILE 0.843 0.097 11 0 "[ . 1 . 2]" 1 46 PHE 1.613 0.357 1 0 "[ . 1 . 2]" 1 47 THR 3.309 0.089 1 0 "[ . 1 . 2]" 1 48 GLU 0.883 0.082 9 0 "[ . 1 . 2]" 1 49 MET 0.453 0.063 17 0 "[ . 1 . 2]" 1 50 ALA 2.314 0.357 1 0 "[ . 1 . 2]" 1 51 ARG 3.408 0.086 7 0 "[ . 1 . 2]" 1 52 LEU 4.892 0.093 9 0 "[ . 1 . 2]" 1 53 GLN 5.389 0.094 17 0 "[ . 1 . 2]" 1 54 GLU 5.982 0.094 17 0 "[ . 1 . 2]" 1 55 SER 4.164 0.098 16 0 "[ . 1 . 2]" 1 56 GLY 3.413 0.085 2 0 "[ . 1 . 2]" 1 57 SER 2.939 0.084 3 0 "[ . 1 . 2]" 1 58 PRO 1.679 0.083 15 0 "[ . 1 . 2]" 1 59 ILE 1.241 0.077 17 0 "[ . 1 . 2]" 1 60 ASP 2.516 0.083 15 0 "[ . 1 . 2]" 1 61 LEU 2.146 0.097 7 0 "[ . 1 . 2]" 1 62 ILE 5.664 0.104 7 0 "[ . 1 . 2]" 1 63 THR 5.002 0.086 11 0 "[ . 1 . 2]" 1 64 LEU 5.218 0.087 14 0 "[ . 1 . 2]" 1 65 ALA 4.564 0.089 3 0 "[ . 1 . 2]" 1 66 GLU 2.940 0.079 11 0 "[ . 1 . 2]" 1 67 SER 6.817 0.084 6 0 "[ . 1 . 2]" 1 68 LEU 2.609 0.076 20 0 "[ . 1 . 2]" 1 69 GLU 3.393 0.094 8 0 "[ . 1 . 2]" 1 70 ARG 1.772 0.072 20 0 "[ . 1 . 2]" 1 71 GLN 1.656 0.072 20 0 "[ . 1 . 2]" 1 72 GLY 1.647 0.094 8 0 "[ . 1 . 2]" 1 73 GLN 0.686 0.076 4 0 "[ . 1 . 2]" 1 74 LEU 0.092 0.043 1 0 "[ . 1 . 2]" 1 75 ASP 0.189 0.059 6 0 "[ . 1 . 2]" 1 76 SER 0.265 0.077 18 0 "[ . 1 . 2]" 1 77 VAL 1.856 0.080 11 0 "[ . 1 . 2]" 1 78 GLY 1.172 0.079 18 0 "[ . 1 . 2]" 1 79 GLY 0.577 0.073 19 0 "[ . 1 . 2]" 1 80 PHE 1.062 0.097 7 0 "[ . 1 . 2]" 1 81 ALA 0.971 0.075 8 0 "[ . 1 . 2]" 1 82 TYR 0.718 0.077 9 0 "[ . 1 . 2]" 1 83 LEU 0.958 0.065 20 0 "[ . 1 . 2]" 1 84 ALA 2.347 0.079 7 0 "[ . 1 . 2]" 1 85 GLU 2.672 0.079 7 0 "[ . 1 . 2]" 1 86 LEU 1.888 0.082 8 0 "[ . 1 . 2]" 1 87 SER 3.129 0.081 9 0 "[ . 1 . 2]" 1 88 LYS 2.816 0.083 18 0 "[ . 1 . 2]" 1 89 ASN 2.719 0.098 9 0 "[ . 1 . 2]" 1 90 THR 1.843 0.098 9 0 "[ . 1 . 2]" 1 91 PRO 0.161 0.091 3 0 "[ . 1 . 2]" 1 92 SER 0.225 0.091 3 0 "[ . 1 . 2]" 1 93 ALA 0.111 0.057 19 0 "[ . 1 . 2]" 1 94 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 95 ASN 0.175 0.067 16 0 "[ . 1 . 2]" 1 96 ILE 4.392 0.100 14 0 "[ . 1 . 2]" 1 97 SER 4.198 0.100 14 0 "[ . 1 . 2]" 1 98 ALA 3.283 0.086 15 0 "[ . 1 . 2]" 1 99 TYR 2.901 0.083 9 0 "[ . 1 . 2]" 1 100 ALA 3.624 0.079 5 0 "[ . 1 . 2]" 1 101 ASP 1.188 0.086 3 0 "[ . 1 . 2]" 1 102 ILE 0.946 0.086 3 0 "[ . 1 . 2]" 1 103 VAL 1.280 0.073 7 0 "[ . 1 . 2]" 1 104 ARG 2.393 0.075 8 0 "[ . 1 . 2]" 1 105 GLU 2.742 0.091 9 0 "[ . 1 . 2]" 1 106 ARG 2.358 0.091 9 0 "[ . 1 . 2]" 1 107 ALA 0.240 0.061 7 0 "[ . 1 . 2]" 1 108 VAL 2.461 0.082 20 0 "[ . 1 . 2]" 1 109 VAL 2.153 0.079 17 0 "[ . 1 . 2]" 1 110 ARG 3.074 0.090 12 0 "[ . 1 . 2]" 1 111 GLU 3.969 0.095 3 0 "[ . 1 . 2]" 1 112 MET 1.716 0.095 3 0 "[ . 1 . 2]" 1 113 ILE 1.921 0.084 7 0 "[ . 1 . 2]" 1 114 SER 0.003 0.003 16 0 "[ . 1 . 2]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 2 LYS HA 1 3 VAL H . . 3.050 2.368 2.067 3.136 0.086 8 0 "[ . 1 . 2]" 1 2 1 2 LYS QD 1 3 VAL HB . . 5.200 4.323 3.238 4.761 . 0 0 "[ . 1 . 2]" 1 3 1 3 VAL H 1 3 VAL HB . . 3.670 2.882 2.175 3.751 0.081 4 0 "[ . 1 . 2]" 1 4 1 3 VAL H 1 4 PRO HA . . 5.500 5.099 4.619 5.563 0.063 3 0 "[ . 1 . 2]" 1 5 1 3 VAL HA 1 4 PRO HD2 . . 3.210 2.331 2.111 2.946 . 0 0 "[ . 1 . 2]" 1 6 1 3 VAL HA 1 4 PRO QD . . 2.930 2.118 2.008 2.271 . 0 0 "[ . 1 . 2]" 1 7 1 3 VAL HA 1 4 PRO HD3 . . 3.210 2.522 2.070 2.793 . 0 0 "[ . 1 . 2]" 1 8 1 3 VAL HB 1 4 PRO QD . . 5.640 3.912 2.513 4.314 . 0 0 "[ . 1 . 2]" 1 9 1 3 VAL MG1 1 4 PRO HD2 . . 5.440 2.590 2.028 3.923 . 0 0 "[ . 1 . 2]" 1 10 1 3 VAL MG1 1 4 PRO QD . . 5.040 2.532 2.014 3.713 . 0 0 "[ . 1 . 2]" 1 11 1 3 VAL MG1 1 4 PRO HD3 . . 5.440 3.781 3.027 4.587 . 0 0 "[ . 1 . 2]" 1 12 1 3 VAL MG1 1 6 HIS HE1 . . 4.640 3.106 2.096 3.980 . 0 0 "[ . 1 . 2]" 1 13 1 4 PRO HA 1 5 PRO HD2 . . 3.790 2.490 2.130 2.927 . 0 0 "[ . 1 . 2]" 1 14 1 4 PRO HA 1 5 PRO QD . . 3.500 2.176 2.026 2.438 . 0 0 "[ . 1 . 2]" 1 15 1 4 PRO HA 1 5 PRO HD3 . . 3.790 2.474 2.080 2.755 . 0 0 "[ . 1 . 2]" 1 16 1 4 PRO QB 1 38 TYR QE . . 7.250 5.291 3.916 6.031 . 0 0 "[ . 1 . 2]" 1 17 1 4 PRO HB2 1 38 TYR QE . . 7.630 5.773 4.017 6.703 . 0 0 "[ . 1 . 2]" 1 18 1 4 PRO HB3 1 38 TYR QE . . 7.630 6.237 4.504 7.108 . 0 0 "[ . 1 . 2]" 1 19 1 4 PRO HG2 1 38 TYR QE . . 7.540 4.877 3.157 6.371 . 0 0 "[ . 1 . 2]" 1 20 1 4 PRO HG3 1 38 TYR QE . . 7.540 4.882 3.054 6.582 . 0 0 "[ . 1 . 2]" 1 21 1 6 HIS HA 1 106 ARG HB2 . . 4.540 3.953 2.748 4.603 0.063 15 0 "[ . 1 . 2]" 1 22 1 6 HIS HA 1 106 ARG HB3 . . 4.170 3.057 2.163 4.199 0.029 13 0 "[ . 1 . 2]" 1 23 1 6 HIS HD2 1 8 ILE MD . . 4.700 3.335 2.215 4.054 . 0 0 "[ . 1 . 2]" 1 24 1 7 SER HA 1 8 ILE H . . 3.210 2.606 2.242 3.156 . 0 0 "[ . 1 . 2]" 1 25 1 7 SER QB 1 10 ALA H . . 4.860 3.217 2.610 3.988 . 0 0 "[ . 1 . 2]" 1 26 1 7 SER QB 1 10 ALA MB . . 5.030 2.149 1.945 2.376 . 0 0 "[ . 1 . 2]" 1 27 1 7 SER QB 1 102 ILE MG . . 4.590 2.442 2.018 3.171 . 0 0 "[ . 1 . 2]" 1 28 1 7 SER HB2 1 10 ALA MB . . 5.540 2.639 2.116 3.546 . 0 0 "[ . 1 . 2]" 1 29 1 7 SER HB2 1 102 ILE MG . . 5.130 2.860 2.189 4.133 . 0 0 "[ . 1 . 2]" 1 30 1 7 SER HB3 1 10 ALA MB . . 5.540 2.604 2.022 3.525 . 0 0 "[ . 1 . 2]" 1 31 1 7 SER HB3 1 102 ILE MG . . 5.130 2.817 2.096 4.118 . 0 0 "[ . 1 . 2]" 1 32 1 8 ILE H 1 8 ILE HB . . 3.140 2.350 1.875 2.825 . 0 0 "[ . 1 . 2]" 1 33 1 8 ILE H 1 9 GLU H . . 3.210 3.038 2.712 3.283 0.073 11 0 "[ . 1 . 2]" 1 34 1 8 ILE HA 1 8 ILE MD . . 4.230 2.453 1.987 3.673 . 0 0 "[ . 1 . 2]" 1 35 1 8 ILE HA 1 11 GLU H . . 3.980 3.567 3.163 4.017 0.037 3 0 "[ . 1 . 2]" 1 36 1 8 ILE HA 1 11 GLU HB2 . . 3.890 2.619 2.148 3.985 0.095 20 0 "[ . 1 . 2]" 1 37 1 8 ILE HA 1 11 GLU HB3 . . 3.890 3.809 2.519 3.977 0.087 8 0 "[ . 1 . 2]" 1 38 1 8 ILE HA 1 42 HIS HE1 . . 3.080 2.629 2.112 3.158 0.078 20 0 "[ . 1 . 2]" 1 39 1 8 ILE HB 1 9 GLU H . . 3.240 2.634 2.123 3.318 0.078 2 0 "[ . 1 . 2]" 1 40 1 8 ILE MD 1 38 TYR QD . . 8.170 3.780 2.919 5.017 . 0 0 "[ . 1 . 2]" 1 41 1 8 ILE MD 1 42 HIS HE1 . . 4.020 3.207 2.735 3.377 . 0 0 "[ . 1 . 2]" 1 42 1 8 ILE MG 1 9 GLU H . . 5.100 2.876 2.049 3.346 . 0 0 "[ . 1 . 2]" 1 43 1 8 ILE MG 1 9 GLU QG . . 6.380 2.431 2.036 3.060 . 0 0 "[ . 1 . 2]" 1 44 1 8 ILE MG 1 12 GLN H . . 6.530 4.178 3.993 4.506 . 0 0 "[ . 1 . 2]" 1 45 1 8 ILE MG 1 12 GLN HE21 . . 6.060 3.554 1.976 4.888 . 0 0 "[ . 1 . 2]" 1 46 1 8 ILE MG 1 12 GLN QE . . 5.780 3.286 1.959 4.337 . 0 0 "[ . 1 . 2]" 1 47 1 8 ILE MG 1 12 GLN HE22 . . 6.060 3.971 2.644 4.849 . 0 0 "[ . 1 . 2]" 1 48 1 8 ILE MG 1 12 GLN HG3 . . 4.920 2.838 2.434 3.305 . 0 0 "[ . 1 . 2]" 1 49 1 8 ILE MG 1 42 HIS HE1 . . 4.020 2.153 1.967 3.104 . 0 0 "[ . 1 . 2]" 1 50 1 9 GLU H 1 9 GLU QB . . 3.540 2.233 2.173 2.343 . 0 0 "[ . 1 . 2]" 1 51 1 9 GLU H 1 10 ALA H . . 3.550 2.695 2.504 2.778 . 0 0 "[ . 1 . 2]" 1 52 1 9 GLU HA 1 12 GLN H . . 3.790 3.091 2.878 3.513 . 0 0 "[ . 1 . 2]" 1 53 1 9 GLU HB2 1 10 ALA H . . 3.640 3.032 2.857 3.222 . 0 0 "[ . 1 . 2]" 1 54 1 9 GLU HB3 1 10 ALA H . . 3.640 3.721 3.711 3.730 0.090 4 0 "[ . 1 . 2]" 1 55 1 9 GLU QG 1 10 ALA H . . 6.380 4.297 4.083 4.450 . 0 0 "[ . 1 . 2]" 1 56 1 9 GLU QG 1 42 HIS HE1 . . 5.290 4.760 4.490 4.860 . 0 0 "[ . 1 . 2]" 1 57 1 10 ALA H 1 11 GLU H . . 2.800 2.592 2.471 2.718 . 0 0 "[ . 1 . 2]" 1 58 1 10 ALA HA 1 11 GLU H . . 3.550 3.586 3.548 3.610 0.060 7 0 "[ . 1 . 2]" 1 59 1 10 ALA HA 1 13 SER H . . 3.420 3.327 3.081 3.476 0.056 6 0 "[ . 1 . 2]" 1 60 1 10 ALA HA 1 13 SER HB2 . . 3.300 2.767 2.372 3.335 0.035 15 0 "[ . 1 . 2]" 1 61 1 10 ALA HA 1 99 TYR QD . . 5.930 2.992 2.057 4.197 . 0 0 "[ . 1 . 2]" 1 62 1 10 ALA MB 1 13 SER HB2 . . 5.160 4.108 3.643 4.336 . 0 0 "[ . 1 . 2]" 1 63 1 10 ALA MB 1 14 VAL MG2 . . 7.560 3.597 3.294 4.236 . 0 0 "[ . 1 . 2]" 1 64 1 10 ALA MB 1 99 TYR HA . . 5.660 3.073 2.421 4.379 . 0 0 "[ . 1 . 2]" 1 65 1 10 ALA MB 1 99 TYR QD . . 6.810 2.669 2.033 3.860 . 0 0 "[ . 1 . 2]" 1 66 1 10 ALA MB 1 99 TYR QE . . 8.410 3.957 2.491 5.463 . 0 0 "[ . 1 . 2]" 1 67 1 10 ALA MB 1 102 ILE HB . . 4.790 2.973 2.302 3.887 . 0 0 "[ . 1 . 2]" 1 68 1 10 ALA MB 1 102 ILE MD . . 6.720 2.928 2.072 3.966 . 0 0 "[ . 1 . 2]" 1 69 1 10 ALA MB 1 102 ILE MG . . 5.420 2.656 2.160 3.469 . 0 0 "[ . 1 . 2]" 1 70 1 10 ALA MB 1 103 VAL H . . 6.060 3.895 3.162 4.944 . 0 0 "[ . 1 . 2]" 1 71 1 10 ALA MB 1 103 VAL MG2 . . 5.250 2.664 2.090 3.389 . 0 0 "[ . 1 . 2]" 1 72 1 11 GLU H 1 11 GLU QB . . 3.640 2.327 2.043 2.532 . 0 0 "[ . 1 . 2]" 1 73 1 11 GLU H 1 11 GLU QG . . 4.090 2.533 2.207 3.263 . 0 0 "[ . 1 . 2]" 1 74 1 11 GLU H 1 12 GLN H . . 3.110 2.791 2.650 2.866 . 0 0 "[ . 1 . 2]" 1 75 1 11 GLU H 1 103 VAL MG2 . . 6.220 3.104 2.753 3.660 . 0 0 "[ . 1 . 2]" 1 76 1 11 GLU HA 1 14 VAL H . . 3.700 3.455 3.080 3.762 0.062 2 0 "[ . 1 . 2]" 1 77 1 11 GLU HA 1 14 VAL MG2 . . 5.910 3.094 2.222 3.536 . 0 0 "[ . 1 . 2]" 1 78 1 11 GLU HA 1 37 PHE QE . . 5.520 2.846 2.322 4.081 . 0 0 "[ . 1 . 2]" 1 79 1 11 GLU HA 1 103 VAL MG2 . . 3.950 2.284 2.087 2.603 . 0 0 "[ . 1 . 2]" 1 80 1 11 GLU QB 1 12 GLN H . . 4.240 2.637 2.407 3.455 . 0 0 "[ . 1 . 2]" 1 81 1 11 GLU QB 1 37 PHE QD . . 6.140 2.642 2.106 4.061 . 0 0 "[ . 1 . 2]" 1 82 1 11 GLU QB 1 42 HIS HD1 . . 4.200 2.296 1.948 3.886 . 0 0 "[ . 1 . 2]" 1 83 1 11 GLU QB 1 42 HIS HE1 . . 5.170 3.020 2.540 4.530 . 0 0 "[ . 1 . 2]" 1 84 1 11 GLU QG 1 103 VAL MG2 . . 4.480 2.176 1.888 3.429 . 0 0 "[ . 1 . 2]" 1 85 1 11 GLU HG2 1 103 VAL MG2 . . 4.760 2.588 2.117 3.719 . 0 0 "[ . 1 . 2]" 1 86 1 11 GLU HG3 1 103 VAL MG2 . . 4.760 2.395 2.035 4.020 . 0 0 "[ . 1 . 2]" 1 87 1 12 GLN H 1 12 GLN HB2 . . 2.930 2.505 2.398 2.698 . 0 0 "[ . 1 . 2]" 1 88 1 12 GLN H 1 12 GLN HB3 . . 3.730 3.628 3.584 3.690 . 0 0 "[ . 1 . 2]" 1 89 1 12 GLN H 1 12 GLN HG2 . . 3.520 3.341 2.543 3.582 0.062 20 0 "[ . 1 . 2]" 1 90 1 12 GLN H 1 12 GLN HG3 . . 3.550 2.539 2.266 3.256 . 0 0 "[ . 1 . 2]" 1 91 1 12 GLN H 1 13 SER H . . 3.020 2.853 2.722 2.977 . 0 0 "[ . 1 . 2]" 1 92 1 12 GLN HA 1 12 GLN HG2 . . 3.980 2.390 2.163 2.629 . 0 0 "[ . 1 . 2]" 1 93 1 12 GLN HA 1 15 LEU H . . 5.220 3.633 3.276 4.024 . 0 0 "[ . 1 . 2]" 1 94 1 12 GLN HA 1 15 LEU MD1 . . 5.320 3.062 2.334 3.757 . 0 0 "[ . 1 . 2]" 1 95 1 12 GLN HA 1 42 HIS HE1 . . 4.380 4.429 4.148 4.469 0.089 14 0 "[ . 1 . 2]" 1 96 1 12 GLN HA 1 86 LEU MD2 . . 3.920 2.338 1.956 3.074 . 0 0 "[ . 1 . 2]" 1 97 1 12 GLN HB2 1 13 SER H . . 3.300 2.619 2.333 3.085 . 0 0 "[ . 1 . 2]" 1 98 1 12 GLN HB2 1 86 LEU MD2 . . 6.220 3.609 3.438 3.984 . 0 0 "[ . 1 . 2]" 1 99 1 12 GLN HB3 1 13 SER H . . 3.860 3.492 3.160 3.821 . 0 0 "[ . 1 . 2]" 1 100 1 12 GLN QE 1 82 TYR QE . . 6.830 3.276 2.360 5.285 . 0 0 "[ . 1 . 2]" 1 101 1 12 GLN QE 1 86 LEU MD2 . . 6.050 2.676 1.882 4.401 . 0 0 "[ . 1 . 2]" 1 102 1 12 GLN HE21 1 82 TYR QE . . 7.630 3.663 2.823 6.295 . 0 0 "[ . 1 . 2]" 1 103 1 12 GLN HE21 1 86 LEU MD2 . . 6.530 2.817 1.902 4.835 . 0 0 "[ . 1 . 2]" 1 104 1 12 GLN HE22 1 82 TYR QE . . 7.630 3.749 2.450 5.678 . 0 0 "[ . 1 . 2]" 1 105 1 12 GLN HE22 1 86 LEU MD2 . . 6.530 3.477 2.579 5.063 . 0 0 "[ . 1 . 2]" 1 106 1 12 GLN HG2 1 86 LEU MD2 . . 4.140 2.198 2.021 3.011 . 0 0 "[ . 1 . 2]" 1 107 1 12 GLN HG3 1 42 HIS HE1 . . 3.480 2.466 2.116 3.529 0.049 10 0 "[ . 1 . 2]" 1 108 1 12 GLN HG3 1 86 LEU MD2 . . 5.160 3.509 3.371 3.859 . 0 0 "[ . 1 . 2]" 1 109 1 13 SER H 1 13 SER HB2 . . 2.930 2.452 2.337 2.599 . 0 0 "[ . 1 . 2]" 1 110 1 13 SER H 1 13 SER HB3 . . 3.550 3.564 3.512 3.607 0.057 20 0 "[ . 1 . 2]" 1 111 1 13 SER H 1 14 VAL H . . 2.800 2.748 2.517 2.869 0.069 5 0 "[ . 1 . 2]" 1 112 1 13 SER HA 1 16 GLY H . . 3.980 3.551 2.954 3.986 0.006 18 0 "[ . 1 . 2]" 1 113 1 13 SER HA 1 17 GLY H . . 3.950 3.702 3.338 3.995 0.045 5 0 "[ . 1 . 2]" 1 114 1 13 SER HA 1 89 ASN QB . . 6.380 4.356 3.316 5.610 . 0 0 "[ . 1 . 2]" 1 115 1 13 SER HA 1 90 THR MG . . 5.600 3.457 2.672 4.722 . 0 0 "[ . 1 . 2]" 1 116 1 13 SER HB2 1 14 VAL H . . 3.300 2.932 2.647 3.187 . 0 0 "[ . 1 . 2]" 1 117 1 13 SER HB2 1 99 TYR QD . . 7.640 3.135 2.077 3.780 . 0 0 "[ . 1 . 2]" 1 118 1 13 SER HB3 1 14 VAL H . . 3.860 3.872 3.648 3.938 0.078 4 0 "[ . 1 . 2]" 1 119 1 13 SER HB3 1 99 TYR QD . . 7.640 3.237 2.763 4.016 . 0 0 "[ . 1 . 2]" 1 120 1 13 SER HB3 1 99 TYR QE . . 7.630 3.066 2.448 3.804 . 0 0 "[ . 1 . 2]" 1 121 1 14 VAL H 1 14 VAL HB . . 2.740 2.457 2.315 2.694 . 0 0 "[ . 1 . 2]" 1 122 1 14 VAL H 1 14 VAL MG2 . . 3.800 2.328 2.157 2.463 . 0 0 "[ . 1 . 2]" 1 123 1 14 VAL H 1 15 LEU H . . 2.930 2.683 2.422 2.800 . 0 0 "[ . 1 . 2]" 1 124 1 14 VAL HA 1 17 GLY H . . 3.360 3.430 3.392 3.443 0.083 8 0 "[ . 1 . 2]" 1 125 1 14 VAL HA 1 96 ILE MD . . 4.450 2.662 1.938 3.305 . 0 0 "[ . 1 . 2]" 1 126 1 14 VAL HA 1 96 ILE QG . . 5.140 2.539 1.976 4.305 . 0 0 "[ . 1 . 2]" 1 127 1 14 VAL HB 1 15 LEU H . . 2.900 2.474 2.317 2.592 . 0 0 "[ . 1 . 2]" 1 128 1 14 VAL HB 1 37 PHE QE . . 5.860 3.237 2.372 3.674 . 0 0 "[ . 1 . 2]" 1 129 1 14 VAL QG 1 15 LEU HA . . 6.720 3.261 3.047 3.600 . 0 0 "[ . 1 . 2]" 1 130 1 14 VAL MG1 1 15 LEU H . . 4.610 3.206 2.933 3.459 . 0 0 "[ . 1 . 2]" 1 131 1 14 VAL MG1 1 18 LEU H . . 5.600 4.230 4.077 4.441 . 0 0 "[ . 1 . 2]" 1 132 1 14 VAL MG1 1 28 VAL MG1 . . 5.420 2.038 1.945 2.232 . 0 0 "[ . 1 . 2]" 1 133 1 14 VAL MG1 1 32 VAL MG1 . . 7.090 4.263 3.754 4.648 . 0 0 "[ . 1 . 2]" 1 134 1 14 VAL MG1 1 32 VAL MG2 . . 6.660 2.961 2.566 3.453 . 0 0 "[ . 1 . 2]" 1 135 1 14 VAL MG1 1 37 PHE QE . . 7.280 3.373 2.758 3.776 . 0 0 "[ . 1 . 2]" 1 136 1 14 VAL MG1 1 37 PHE HZ . . 4.020 2.507 2.156 3.046 . 0 0 "[ . 1 . 2]" 1 137 1 14 VAL MG1 1 100 ALA MB . . 5.940 2.653 2.275 2.959 . 0 0 "[ . 1 . 2]" 1 138 1 14 VAL MG2 1 15 LEU H . . 4.610 3.878 3.608 3.936 . 0 0 "[ . 1 . 2]" 1 139 1 14 VAL MG2 1 32 VAL MG2 . . 7.560 3.892 3.482 4.496 . 0 0 "[ . 1 . 2]" 1 140 1 14 VAL MG2 1 99 TYR HB2 . . 4.730 2.351 2.125 2.678 . 0 0 "[ . 1 . 2]" 1 141 1 14 VAL MG2 1 99 TYR HB3 . . 4.510 2.158 2.084 2.262 . 0 0 "[ . 1 . 2]" 1 142 1 14 VAL MG2 1 99 TYR QD . . 7.830 3.483 2.706 3.885 . 0 0 "[ . 1 . 2]" 1 143 1 14 VAL MG2 1 100 ALA H . . 4.610 2.699 2.522 2.989 . 0 0 "[ . 1 . 2]" 1 144 1 14 VAL MG2 1 100 ALA HA . . 3.890 2.295 2.142 2.615 . 0 0 "[ . 1 . 2]" 1 145 1 14 VAL MG2 1 100 ALA MB . . 6.220 2.478 2.202 2.825 . 0 0 "[ . 1 . 2]" 1 146 1 15 LEU H 1 15 LEU HB2 . . 3.020 2.453 2.242 2.637 . 0 0 "[ . 1 . 2]" 1 147 1 15 LEU H 1 15 LEU MD2 . . 5.540 3.420 3.105 3.839 . 0 0 "[ . 1 . 2]" 1 148 1 15 LEU H 1 15 LEU HG . . 5.500 2.261 2.120 2.489 . 0 0 "[ . 1 . 2]" 1 149 1 15 LEU H 1 16 GLY H . . 3.140 2.792 2.642 2.945 . 0 0 "[ . 1 . 2]" 1 150 1 15 LEU HA 1 15 LEU MD2 . . 3.890 2.145 2.075 2.204 . 0 0 "[ . 1 . 2]" 1 151 1 15 LEU HA 1 18 LEU H . . 4.010 3.391 3.209 3.656 . 0 0 "[ . 1 . 2]" 1 152 1 15 LEU HA 1 18 LEU MD1 . . 5.190 2.361 2.133 3.217 . 0 0 "[ . 1 . 2]" 1 153 1 15 LEU HA 1 49 MET ME . . 4.420 3.171 2.286 3.562 . 0 0 "[ . 1 . 2]" 1 154 1 15 LEU HB2 1 16 GLY H . . 3.330 2.629 2.433 2.880 . 0 0 "[ . 1 . 2]" 1 155 1 15 LEU HB3 1 16 GLY H . . 3.580 3.593 3.355 3.658 0.078 8 0 "[ . 1 . 2]" 1 156 1 15 LEU MD1 1 37 PHE QD . . 7.640 3.265 2.444 4.570 . 0 0 "[ . 1 . 2]" 1 157 1 15 LEU MD1 1 37 PHE QE . . 7.450 3.075 2.355 4.836 . 0 0 "[ . 1 . 2]" 1 158 1 15 LEU MD1 1 42 HIS HA . . 4.730 2.179 1.975 2.571 . 0 0 "[ . 1 . 2]" 1 159 1 15 LEU MD1 1 42 HIS HB2 . . 6.280 3.559 3.376 3.871 . 0 0 "[ . 1 . 2]" 1 160 1 15 LEU MD1 1 42 HIS HB3 . . 5.130 2.172 2.011 2.351 . 0 0 "[ . 1 . 2]" 1 161 1 15 LEU MD1 1 42 HIS HD2 . . 4.670 3.118 2.593 3.890 . 0 0 "[ . 1 . 2]" 1 162 1 15 LEU MD1 1 45 ILE HB . . 4.790 2.348 2.181 3.170 . 0 0 "[ . 1 . 2]" 1 163 1 15 LEU MD1 1 45 ILE MD . . 6.690 2.520 2.139 3.109 . 0 0 "[ . 1 . 2]" 1 164 1 15 LEU MD1 1 45 ILE MG . . 5.820 2.640 2.187 3.238 . 0 0 "[ . 1 . 2]" 1 165 1 15 LEU MD1 1 46 PHE H . . 6.530 3.519 3.075 4.423 . 0 0 "[ . 1 . 2]" 1 166 1 15 LEU MD2 1 37 PHE QE . . 7.060 3.143 2.348 3.492 . 0 0 "[ . 1 . 2]" 1 167 1 15 LEU MD2 1 37 PHE HZ . . 4.760 3.306 2.741 3.877 . 0 0 "[ . 1 . 2]" 1 168 1 15 LEU MD2 1 46 PHE H . . 5.740 2.988 2.588 3.469 . 0 0 "[ . 1 . 2]" 1 169 1 15 LEU MD2 1 46 PHE HA . . 4.720 3.055 2.359 3.765 . 0 0 "[ . 1 . 2]" 1 170 1 15 LEU MD2 1 46 PHE HB2 . . 4.380 2.433 2.163 2.827 . 0 0 "[ . 1 . 2]" 1 171 1 15 LEU MD2 1 46 PHE QD . . 5.610 2.445 2.088 3.163 . 0 0 "[ . 1 . 2]" 1 172 1 15 LEU MD2 1 49 MET ME . . 5.450 3.286 2.558 3.623 . 0 0 "[ . 1 . 2]" 1 173 1 15 LEU HG 1 37 PHE QE . . 6.380 2.678 2.268 4.173 . 0 0 "[ . 1 . 2]" 1 174 1 16 GLY H 1 16 GLY HA2 . . 2.960 2.855 2.811 2.902 . 0 0 "[ . 1 . 2]" 1 175 1 16 GLY H 1 16 GLY HA3 . . 2.680 2.286 2.244 2.341 . 0 0 "[ . 1 . 2]" 1 176 1 16 GLY H 1 17 GLY H . . 3.050 2.733 2.573 2.864 . 0 0 "[ . 1 . 2]" 1 177 1 16 GLY H 1 86 LEU HB2 . . 5.500 4.946 4.158 5.553 0.053 12 0 "[ . 1 . 2]" 1 178 1 16 GLY HA2 1 19 MET H . . 4.570 3.542 3.095 3.833 . 0 0 "[ . 1 . 2]" 1 179 1 16 GLY HA2 1 19 MET ME . . 5.810 2.696 2.135 3.813 . 0 0 "[ . 1 . 2]" 1 180 1 16 GLY HA2 1 87 SER HA . . 4.450 2.679 2.148 3.462 . 0 0 "[ . 1 . 2]" 1 181 1 16 GLY HA3 1 17 GLY H . . 3.170 2.873 2.692 3.054 . 0 0 "[ . 1 . 2]" 1 182 1 16 GLY HA3 1 19 MET ME . . 6.160 4.053 3.444 5.011 . 0 0 "[ . 1 . 2]" 1 183 1 16 GLY HA3 1 87 SER HA . . 4.170 3.173 2.597 3.786 . 0 0 "[ . 1 . 2]" 1 184 1 16 GLY HA3 1 90 THR MG . . 6.430 3.679 2.599 4.474 . 0 0 "[ . 1 . 2]" 1 185 1 17 GLY H 1 18 LEU H . . 2.900 2.736 2.562 2.866 . 0 0 "[ . 1 . 2]" 1 186 1 17 GLY H 1 90 THR MG . . 5.350 2.964 2.642 4.422 . 0 0 "[ . 1 . 2]" 1 187 1 17 GLY H 1 96 ILE MD . . 5.600 3.499 2.752 3.717 . 0 0 "[ . 1 . 2]" 1 188 1 17 GLY QA 1 20 LEU H . . 5.290 3.251 2.992 3.561 . 0 0 "[ . 1 . 2]" 1 189 1 17 GLY QA 1 21 ASP H . . 5.970 3.865 3.636 4.397 . 0 0 "[ . 1 . 2]" 1 190 1 17 GLY QA 1 90 THR MG . . 6.130 2.155 1.914 3.657 . 0 0 "[ . 1 . 2]" 1 191 1 17 GLY QA 1 96 ILE MD . . 6.230 2.144 1.886 2.941 . 0 0 "[ . 1 . 2]" 1 192 1 18 LEU H 1 18 LEU HB2 . . 2.740 2.371 2.315 2.487 . 0 0 "[ . 1 . 2]" 1 193 1 18 LEU H 1 18 LEU MD1 . . 5.880 3.554 3.283 3.658 . 0 0 "[ . 1 . 2]" 1 194 1 18 LEU H 1 18 LEU MD2 . . 4.920 3.590 3.411 3.848 . 0 0 "[ . 1 . 2]" 1 195 1 18 LEU H 1 18 LEU HG . . 2.990 2.448 2.289 2.562 . 0 0 "[ . 1 . 2]" 1 196 1 18 LEU H 1 19 MET H . . 2.930 2.704 2.565 2.922 . 0 0 "[ . 1 . 2]" 1 197 1 18 LEU H 1 96 ILE MD . . 4.790 3.097 2.652 3.926 . 0 0 "[ . 1 . 2]" 1 198 1 18 LEU HA 1 18 LEU MD2 . . 3.890 2.113 2.042 2.164 . 0 0 "[ . 1 . 2]" 1 199 1 18 LEU HA 1 21 ASP H . . 3.360 3.271 2.937 3.430 0.070 15 0 "[ . 1 . 2]" 1 200 1 18 LEU HA 1 96 ILE MD . . 5.780 3.645 3.006 4.763 . 0 0 "[ . 1 . 2]" 1 201 1 18 LEU HB2 1 19 MET H . . 2.990 2.787 2.484 3.052 0.062 14 0 "[ . 1 . 2]" 1 202 1 18 LEU HB3 1 19 MET H . . 4.320 3.649 3.452 3.810 . 0 0 "[ . 1 . 2]" 1 203 1 18 LEU HB3 1 49 MET ME . . 5.010 2.928 2.630 3.352 . 0 0 "[ . 1 . 2]" 1 204 1 18 LEU HB3 1 59 ILE MD . . 5.880 2.147 2.038 2.408 . 0 0 "[ . 1 . 2]" 1 205 1 18 LEU MD1 1 25 TRP HA . . 5.750 3.448 2.991 3.939 . 0 0 "[ . 1 . 2]" 1 206 1 18 LEU MD1 1 25 TRP HE3 . . 4.140 2.292 2.117 2.646 . 0 0 "[ . 1 . 2]" 1 207 1 18 LEU MD1 1 25 TRP HZ3 . . 4.450 2.459 2.149 2.886 . 0 0 "[ . 1 . 2]" 1 208 1 18 LEU MD1 1 28 VAL MG1 . . 5.880 2.142 2.057 2.317 . 0 0 "[ . 1 . 2]" 1 209 1 18 LEU MD1 1 28 VAL MG2 . . 6.010 3.160 2.621 3.679 . 0 0 "[ . 1 . 2]" 1 210 1 18 LEU MD1 1 46 PHE QD . . 7.190 3.328 2.336 4.558 . 0 0 "[ . 1 . 2]" 1 211 1 18 LEU MD1 1 46 PHE QE . . 6.980 3.185 2.169 4.535 . 0 0 "[ . 1 . 2]" 1 212 1 18 LEU MD1 1 49 MET ME . . 7.150 3.029 2.558 3.548 . 0 0 "[ . 1 . 2]" 1 213 1 18 LEU MD2 1 22 ASN HA . . 5.690 3.674 3.245 4.315 . 0 0 "[ . 1 . 2]" 1 214 1 18 LEU MD2 1 24 ARG H . . 5.410 3.915 3.453 4.498 . 0 0 "[ . 1 . 2]" 1 215 1 18 LEU MD2 1 25 TRP H . . 5.190 2.991 2.767 3.348 . 0 0 "[ . 1 . 2]" 1 216 1 18 LEU MD2 1 25 TRP HA . . 4.140 1.989 1.932 2.100 . 0 0 "[ . 1 . 2]" 1 217 1 18 LEU MD2 1 25 TRP HB2 . . 5.540 2.761 2.515 3.066 . 0 0 "[ . 1 . 2]" 1 218 1 18 LEU MD2 1 25 TRP HB3 . . 6.530 3.943 3.813 4.154 . 0 0 "[ . 1 . 2]" 1 219 1 18 LEU MD2 1 25 TRP HE3 . . 3.860 2.455 2.115 3.021 . 0 0 "[ . 1 . 2]" 1 220 1 18 LEU MD2 1 28 VAL H . . 6.030 3.725 3.415 3.949 . 0 0 "[ . 1 . 2]" 1 221 1 18 LEU MD2 1 28 VAL HB . . 4.790 2.369 2.153 2.829 . 0 0 "[ . 1 . 2]" 1 222 1 19 MET H 1 19 MET HB2 . . 2.930 2.564 2.371 2.696 . 0 0 "[ . 1 . 2]" 1 223 1 19 MET H 1 19 MET QG . . 4.640 2.302 1.957 3.254 . 0 0 "[ . 1 . 2]" 1 224 1 19 MET HA 1 20 LEU H . . 3.480 3.515 3.441 3.540 0.060 7 0 "[ . 1 . 2]" 1 225 1 19 MET HA 1 22 ASN QD . . 5.870 4.300 2.353 5.233 . 0 0 "[ . 1 . 2]" 1 226 1 19 MET HA 1 49 MET ME . . 5.470 3.542 2.996 4.081 . 0 0 "[ . 1 . 2]" 1 227 1 19 MET HA 1 60 ASP HA . . 3.270 2.946 2.183 3.347 0.077 18 0 "[ . 1 . 2]" 1 228 1 19 MET HB2 1 20 LEU H . . 3.300 2.904 2.552 3.140 . 0 0 "[ . 1 . 2]" 1 229 1 19 MET HB3 1 61 LEU H . . 3.760 3.079 2.515 3.803 0.043 3 0 "[ . 1 . 2]" 1 230 1 19 MET ME 1 45 ILE MG . . 6.070 2.952 2.342 4.103 . 0 0 "[ . 1 . 2]" 1 231 1 19 MET ME 1 49 MET ME . . 5.850 2.704 2.015 3.602 . 0 0 "[ . 1 . 2]" 1 232 1 19 MET ME 1 61 LEU MD2 . . 5.790 3.104 1.902 3.846 . 0 0 "[ . 1 . 2]" 1 233 1 19 MET ME 1 64 LEU MD2 . . 5.600 2.464 2.026 3.611 . 0 0 "[ . 1 . 2]" 1 234 1 19 MET ME 1 83 LEU HA . . 5.320 2.925 2.384 3.301 . 0 0 "[ . 1 . 2]" 1 235 1 19 MET ME 1 83 LEU HB3 . . 4.360 2.860 2.446 3.469 . 0 0 "[ . 1 . 2]" 1 236 1 19 MET ME 1 83 LEU MD2 . . 5.480 2.854 2.188 3.503 . 0 0 "[ . 1 . 2]" 1 237 1 19 MET ME 1 86 LEU MD1 . . 5.540 2.744 2.171 3.567 . 0 0 "[ . 1 . 2]" 1 238 1 19 MET ME 1 87 SER HA . . 4.730 3.589 2.187 4.062 . 0 0 "[ . 1 . 2]" 1 239 1 19 MET ME 1 87 SER QB . . 5.450 3.130 2.093 3.789 . 0 0 "[ . 1 . 2]" 1 240 1 19 MET QG 1 49 MET ME . . 5.570 2.189 1.927 3.081 . 0 0 "[ . 1 . 2]" 1 241 1 20 LEU H 1 20 LEU QB . . 3.450 2.187 1.973 2.522 . 0 0 "[ . 1 . 2]" 1 242 1 20 LEU H 1 20 LEU MD1 . . 5.540 3.476 2.324 4.176 . 0 0 "[ . 1 . 2]" 1 243 1 20 LEU HA 1 20 LEU MD1 . . 4.200 3.458 2.808 3.654 . 0 0 "[ . 1 . 2]" 1 244 1 20 LEU HA 1 20 LEU MD2 . . 4.140 2.886 2.051 3.571 . 0 0 "[ . 1 . 2]" 1 245 1 20 LEU HA 1 21 ASP H . . 3.450 3.525 3.484 3.538 0.088 11 0 "[ . 1 . 2]" 1 246 1 20 LEU QB 1 21 ASP H . . 3.840 2.686 2.159 3.229 . 0 0 "[ . 1 . 2]" 1 247 1 20 LEU MD1 1 90 THR HA . . 5.570 4.581 4.289 4.761 . 0 0 "[ . 1 . 2]" 1 248 1 20 LEU MD1 1 90 THR HB . . 4.820 2.422 2.051 3.723 . 0 0 "[ . 1 . 2]" 1 249 1 20 LEU MD1 1 92 SER HA . . 5.260 2.677 2.058 4.414 . 0 0 "[ . 1 . 2]" 1 250 1 20 LEU MD2 1 92 SER HA . . 4.610 2.632 2.069 3.746 . 0 0 "[ . 1 . 2]" 1 251 1 20 LEU MD2 1 93 ALA MB . . 6.840 3.578 2.260 4.509 . 0 0 "[ . 1 . 2]" 1 252 1 21 ASP H 1 21 ASP HB3 . . 3.020 2.840 2.496 3.072 0.052 2 0 "[ . 1 . 2]" 1 253 1 21 ASP H 1 93 ALA MB . . 6.530 3.979 2.825 5.430 . 0 0 "[ . 1 . 2]" 1 254 1 21 ASP HA 1 22 ASN H . . 2.520 2.094 2.000 2.199 . 0 0 "[ . 1 . 2]" 1 255 1 21 ASP HA 1 23 GLU H . . 3.550 3.574 3.196 3.630 0.080 4 0 "[ . 1 . 2]" 1 256 1 21 ASP HB2 1 22 ASN H . . 4.320 4.389 4.337 4.409 0.089 3 0 "[ . 1 . 2]" 1 257 1 21 ASP HB2 1 93 ALA MB . . 5.100 3.017 2.269 4.344 . 0 0 "[ . 1 . 2]" 1 258 1 21 ASP HB3 1 93 ALA MB . . 4.980 2.760 2.222 4.072 . 0 0 "[ . 1 . 2]" 1 259 1 22 ASN H 1 22 ASN HD21 . . 5.500 3.216 1.961 4.783 . 0 0 "[ . 1 . 2]" 1 260 1 22 ASN H 1 22 ASN QD . . 4.640 3.009 1.943 4.251 . 0 0 "[ . 1 . 2]" 1 261 1 22 ASN H 1 22 ASN HD22 . . 5.500 3.960 2.743 5.449 . 0 0 "[ . 1 . 2]" 1 262 1 22 ASN H 1 23 GLU H . . 3.080 2.788 2.307 3.045 . 0 0 "[ . 1 . 2]" 1 263 1 22 ASN HA 1 22 ASN QD . . 4.350 3.186 2.065 4.020 . 0 0 "[ . 1 . 2]" 1 264 1 22 ASN HA 1 23 GLU H . . 3.580 3.528 3.384 3.611 0.031 10 0 "[ . 1 . 2]" 1 265 1 22 ASN HA 1 25 TRP H . . 3.830 3.663 3.115 3.886 0.056 15 0 "[ . 1 . 2]" 1 266 1 22 ASN HA 1 59 ILE MD . . 5.260 2.364 2.190 2.696 . 0 0 "[ . 1 . 2]" 1 267 1 22 ASN QD 1 23 GLU H . . 6.180 4.716 3.794 5.557 . 0 0 "[ . 1 . 2]" 1 268 1 22 ASN QD 1 60 ASP H . . 6.370 4.060 2.642 5.564 . 0 0 "[ . 1 . 2]" 1 269 1 23 GLU H 1 23 GLU QB . . 3.740 2.365 1.865 2.692 . 0 0 "[ . 1 . 2]" 1 270 1 23 GLU H 1 23 GLU HG2 . . 3.860 3.130 2.195 3.833 . 0 0 "[ . 1 . 2]" 1 271 1 23 GLU H 1 23 GLU QG . . 3.650 2.570 2.103 3.419 . 0 0 "[ . 1 . 2]" 1 272 1 23 GLU H 1 23 GLU HG3 . . 3.860 3.078 2.149 3.940 0.080 10 0 "[ . 1 . 2]" 1 273 1 23 GLU H 1 24 ARG H . . 2.860 2.564 2.280 2.709 . 0 0 "[ . 1 . 2]" 1 274 1 23 GLU HA 1 23 GLU HG2 . . 3.860 2.671 2.161 3.929 0.069 4 0 "[ . 1 . 2]" 1 275 1 23 GLU HA 1 23 GLU QG . . 3.620 2.555 2.141 3.364 . 0 0 "[ . 1 . 2]" 1 276 1 23 GLU HA 1 23 GLU HG3 . . 3.860 3.463 3.015 3.865 0.005 20 0 "[ . 1 . 2]" 1 277 1 23 GLU HA 1 24 ARG H . . 3.550 3.499 3.416 3.605 0.055 20 0 "[ . 1 . 2]" 1 278 1 23 GLU HA 1 25 TRP H . . 3.760 3.383 3.207 3.670 . 0 0 "[ . 1 . 2]" 1 279 1 23 GLU HA 1 26 ASP H . . 3.920 3.975 3.634 4.011 0.091 12 0 "[ . 1 . 2]" 1 280 1 23 GLU QB 1 24 ARG H . . 4.330 3.137 2.613 3.730 . 0 0 "[ . 1 . 2]" 1 281 1 24 ARG H 1 24 ARG HB2 . . 2.860 2.447 2.311 2.648 . 0 0 "[ . 1 . 2]" 1 282 1 24 ARG H 1 24 ARG HG2 . . 3.480 2.458 2.103 3.540 0.060 14 0 "[ . 1 . 2]" 1 283 1 24 ARG H 1 24 ARG QG . . 3.290 2.350 2.088 2.550 . 0 0 "[ . 1 . 2]" 1 284 1 24 ARG H 1 24 ARG HG3 . . 3.480 3.439 2.530 3.564 0.084 11 0 "[ . 1 . 2]" 1 285 1 24 ARG H 1 25 TRP H . . 2.710 2.655 2.535 2.773 0.063 20 0 "[ . 1 . 2]" 1 286 1 24 ARG HA 1 24 ARG QD . . 5.040 2.691 2.022 4.108 . 0 0 "[ . 1 . 2]" 1 287 1 24 ARG HA 1 24 ARG HE . . 4.850 3.670 1.793 4.913 0.063 7 0 "[ . 1 . 2]" 1 288 1 24 ARG HA 1 26 ASP H . . 4.450 3.873 3.383 4.434 . 0 0 "[ . 1 . 2]" 1 289 1 24 ARG HA 1 27 ASP H . . 3.670 2.962 2.718 3.294 . 0 0 "[ . 1 . 2]" 1 290 1 24 ARG HB3 1 25 TRP H . . 4.510 4.311 4.202 4.459 . 0 0 "[ . 1 . 2]" 1 291 1 24 ARG HB3 1 96 ILE MG . . 4.700 2.512 2.069 3.750 . 0 0 "[ . 1 . 2]" 1 292 1 24 ARG QD 1 93 ALA MB . . 6.630 3.726 2.162 4.841 . 0 0 "[ . 1 . 2]" 1 293 1 24 ARG QD 1 96 ILE MG . . 5.950 2.243 1.970 3.151 . 0 0 "[ . 1 . 2]" 1 294 1 25 TRP H 1 25 TRP HB2 . . 2.770 2.592 2.501 2.673 . 0 0 "[ . 1 . 2]" 1 295 1 25 TRP H 1 25 TRP HB3 . . 2.770 2.510 2.432 2.593 . 0 0 "[ . 1 . 2]" 1 296 1 25 TRP H 1 26 ASP H . . 3.270 2.864 2.623 3.079 . 0 0 "[ . 1 . 2]" 1 297 1 25 TRP HA 1 25 TRP HE3 . . 3.300 2.830 2.542 3.128 . 0 0 "[ . 1 . 2]" 1 298 1 25 TRP HA 1 26 ASP H . . 3.610 3.596 3.571 3.631 0.021 14 0 "[ . 1 . 2]" 1 299 1 25 TRP HA 1 28 VAL H . . 4.070 3.742 3.453 3.938 . 0 0 "[ . 1 . 2]" 1 300 1 25 TRP HA 1 28 VAL HB . . 3.670 2.781 2.426 3.118 . 0 0 "[ . 1 . 2]" 1 301 1 25 TRP HA 1 28 VAL MG2 . . 5.470 3.782 3.448 4.045 . 0 0 "[ . 1 . 2]" 1 302 1 25 TRP HA 1 29 ALA H . . 3.760 3.734 3.541 3.843 0.083 2 0 "[ . 1 . 2]" 1 303 1 25 TRP HB2 1 25 TRP HD1 . . 3.890 3.784 3.734 3.820 . 0 0 "[ . 1 . 2]" 1 304 1 25 TRP HB2 1 25 TRP HE3 . . 3.420 2.747 2.645 2.867 . 0 0 "[ . 1 . 2]" 1 305 1 25 TRP HB2 1 59 ILE MD . . 6.400 2.216 2.007 2.670 . 0 0 "[ . 1 . 2]" 1 306 1 25 TRP HB3 1 25 TRP HD1 . . 3.170 2.613 2.540 2.672 . 0 0 "[ . 1 . 2]" 1 307 1 25 TRP HB3 1 26 ASP H . . 2.740 2.505 2.319 2.748 0.008 4 0 "[ . 1 . 2]" 1 308 1 25 TRP HB3 1 59 ILE MD . . 6.530 3.549 3.276 3.862 . 0 0 "[ . 1 . 2]" 1 309 1 25 TRP HD1 1 26 ASP H . . 3.580 3.347 3.080 3.612 0.032 4 0 "[ . 1 . 2]" 1 310 1 25 TRP HD1 1 26 ASP HA . . 3.110 3.154 2.931 3.198 0.088 18 0 "[ . 1 . 2]" 1 311 1 25 TRP HD1 1 29 ALA MB . . 4.760 3.633 3.298 3.964 . 0 0 "[ . 1 . 2]" 1 312 1 25 TRP HE1 1 26 ASP HA . . 5.470 4.485 4.112 4.901 . 0 0 "[ . 1 . 2]" 1 313 1 25 TRP HE1 1 29 ALA MB . . 4.140 3.124 2.649 3.561 . 0 0 "[ . 1 . 2]" 1 314 1 25 TRP HE1 1 50 ALA HA . . 5.500 4.414 3.709 4.958 . 0 0 "[ . 1 . 2]" 1 315 1 25 TRP HE1 1 50 ALA MB . . 6.530 4.776 4.326 5.273 . 0 0 "[ . 1 . 2]" 1 316 1 25 TRP HE1 1 53 GLN QB . . 5.850 3.972 3.183 4.486 . 0 0 "[ . 1 . 2]" 1 317 1 25 TRP HE1 1 53 GLN QE . . 6.370 4.241 2.471 5.574 . 0 0 "[ . 1 . 2]" 1 318 1 25 TRP HE1 1 53 GLN HG2 . . 4.480 3.488 2.759 4.567 0.087 11 0 "[ . 1 . 2]" 1 319 1 25 TRP HE1 1 53 GLN HG3 . . 4.880 4.617 4.134 4.957 0.077 17 0 "[ . 1 . 2]" 1 320 1 25 TRP HE3 1 59 ILE MD . . 3.890 2.259 2.098 2.787 . 0 0 "[ . 1 . 2]" 1 321 1 25 TRP HH2 1 50 ALA H . . 3.980 2.861 2.708 3.049 . 0 0 "[ . 1 . 2]" 1 322 1 25 TRP HH2 1 50 ALA HA . . 3.830 3.217 2.696 3.505 . 0 0 "[ . 1 . 2]" 1 323 1 25 TRP HH2 1 50 ALA MB . . 4.140 2.230 2.115 2.356 . 0 0 "[ . 1 . 2]" 1 324 1 25 TRP HZ2 1 29 ALA MB . . 4.510 3.533 3.050 3.741 . 0 0 "[ . 1 . 2]" 1 325 1 25 TRP HZ2 1 50 ALA HA . . 2.860 2.706 2.399 2.934 0.074 2 0 "[ . 1 . 2]" 1 326 1 25 TRP HZ2 1 50 ALA MB . . 3.740 2.542 2.189 2.971 . 0 0 "[ . 1 . 2]" 1 327 1 25 TRP HZ3 1 49 MET HB2 . . 4.110 2.459 2.266 2.644 . 0 0 "[ . 1 . 2]" 1 328 1 25 TRP HZ3 1 49 MET HB3 . . 3.700 2.556 2.350 2.991 . 0 0 "[ . 1 . 2]" 1 329 1 25 TRP HZ3 1 59 ILE MD . . 5.380 3.634 3.329 4.410 . 0 0 "[ . 1 . 2]" 1 330 1 26 ASP H 1 26 ASP HB2 . . 2.740 2.173 2.014 2.324 . 0 0 "[ . 1 . 2]" 1 331 1 26 ASP H 1 27 ASP H . . 2.990 2.652 2.492 2.895 . 0 0 "[ . 1 . 2]" 1 332 1 26 ASP H 1 28 VAL H . . 5.310 4.347 4.095 4.513 . 0 0 "[ . 1 . 2]" 1 333 1 26 ASP HA 1 27 ASP H . . 3.500 3.401 3.275 3.559 0.059 13 0 "[ . 1 . 2]" 1 334 1 26 ASP HA 1 29 ALA MB . . 3.890 2.462 2.109 2.865 . 0 0 "[ . 1 . 2]" 1 335 1 26 ASP HA 1 30 GLU H . . 4.010 4.097 4.075 4.109 0.099 19 0 "[ . 1 . 2]" 1 336 1 26 ASP HB2 1 27 ASP H . . 3.270 3.141 2.734 3.373 0.103 15 0 "[ . 1 . 2]" 1 337 1 26 ASP HB3 1 27 ASP H . . 3.480 3.474 2.454 3.576 0.096 10 0 "[ . 1 . 2]" 1 338 1 27 ASP H 1 27 ASP QB . . 3.420 2.291 2.075 2.563 . 0 0 "[ . 1 . 2]" 1 339 1 27 ASP H 1 28 VAL H . . 2.800 2.298 2.189 2.481 . 0 0 "[ . 1 . 2]" 1 340 1 27 ASP H 1 28 VAL HB . . 3.950 4.035 4.024 4.046 0.096 15 0 "[ . 1 . 2]" 1 341 1 27 ASP H 1 29 ALA H . . 4.260 3.694 3.485 3.873 . 0 0 "[ . 1 . 2]" 1 342 1 27 ASP HA 1 30 GLU H . . 3.450 3.502 3.177 3.545 0.095 1 0 "[ . 1 . 2]" 1 343 1 27 ASP QB 1 28 VAL H . . 4.430 2.538 2.304 2.868 . 0 0 "[ . 1 . 2]" 1 344 1 28 VAL H 1 28 VAL HB . . 2.680 2.171 2.052 2.258 . 0 0 "[ . 1 . 2]" 1 345 1 28 VAL H 1 28 VAL MG2 . . 4.080 2.302 2.154 2.495 . 0 0 "[ . 1 . 2]" 1 346 1 28 VAL H 1 29 ALA H . . 2.830 2.700 2.482 2.796 . 0 0 "[ . 1 . 2]" 1 347 1 28 VAL H 1 30 GLU H . . 5.500 3.922 3.653 4.097 . 0 0 "[ . 1 . 2]" 1 348 1 28 VAL HA 1 30 GLU H . . 4.070 4.072 3.947 4.144 0.074 16 0 "[ . 1 . 2]" 1 349 1 28 VAL HA 1 31 ARG H . . 4.010 3.367 2.969 3.753 . 0 0 "[ . 1 . 2]" 1 350 1 28 VAL HA 1 32 VAL H . . 4.450 3.944 3.806 4.151 . 0 0 "[ . 1 . 2]" 1 351 1 28 VAL HA 1 32 VAL MG1 . . 5.910 4.791 4.618 4.857 . 0 0 "[ . 1 . 2]" 1 352 1 28 VAL HA 1 100 ALA MB . . 4.540 2.672 2.149 3.219 . 0 0 "[ . 1 . 2]" 1 353 1 28 VAL HB 1 29 ALA H . . 2.930 2.612 2.388 2.787 . 0 0 "[ . 1 . 2]" 1 354 1 28 VAL MG1 1 29 ALA H . . 5.130 3.202 2.976 3.371 . 0 0 "[ . 1 . 2]" 1 355 1 28 VAL MG1 1 32 VAL H . . 5.880 3.814 3.727 3.939 . 0 0 "[ . 1 . 2]" 1 356 1 28 VAL MG1 1 32 VAL MG1 . . 6.010 3.954 3.783 4.032 . 0 0 "[ . 1 . 2]" 1 357 1 28 VAL MG1 1 32 VAL MG2 . . 5.480 2.074 1.963 2.230 . 0 0 "[ . 1 . 2]" 1 358 1 28 VAL MG1 1 46 PHE QE . . 6.560 2.291 2.052 3.060 . 0 0 "[ . 1 . 2]" 1 359 1 28 VAL MG1 1 46 PHE HZ . . 5.780 3.196 2.400 4.200 . 0 0 "[ . 1 . 2]" 1 360 1 28 VAL MG1 1 100 ALA MB . . 6.100 2.694 2.295 3.096 . 0 0 "[ . 1 . 2]" 1 361 1 28 VAL MG2 1 29 ALA H . . 5.130 4.033 3.891 4.131 . 0 0 "[ . 1 . 2]" 1 362 1 28 VAL MG2 1 32 VAL MG2 . . 6.070 3.731 3.529 3.930 . 0 0 "[ . 1 . 2]" 1 363 1 28 VAL MG2 1 100 ALA MB . . 6.040 2.420 2.040 2.927 . 0 0 "[ . 1 . 2]" 1 364 1 29 ALA H 1 29 ALA HA . . 2.800 2.823 2.776 2.850 0.050 18 0 "[ . 1 . 2]" 1 365 1 29 ALA H 1 29 ALA MB . . 3.490 2.223 2.184 2.272 . 0 0 "[ . 1 . 2]" 1 366 1 29 ALA H 1 30 GLU H . . 2.990 2.773 2.657 2.893 . 0 0 "[ . 1 . 2]" 1 367 1 29 ALA H 1 31 ARG H . . 4.660 4.089 3.861 4.283 . 0 0 "[ . 1 . 2]" 1 368 1 29 ALA HA 1 30 GLU H . . 3.500 3.490 3.436 3.555 0.055 10 0 "[ . 1 . 2]" 1 369 1 29 ALA HA 1 31 ARG H . . 3.670 3.705 3.626 3.748 0.078 14 0 "[ . 1 . 2]" 1 370 1 29 ALA HA 1 32 VAL H . . 3.210 3.168 2.953 3.285 0.075 2 0 "[ . 1 . 2]" 1 371 1 29 ALA HA 1 32 VAL MG2 . . 5.600 3.296 2.761 3.665 . 0 0 "[ . 1 . 2]" 1 372 1 29 ALA HA 1 46 PHE HZ . . 4.790 2.721 2.201 3.414 . 0 0 "[ . 1 . 2]" 1 373 1 29 ALA MB 1 30 GLU HA . . 5.440 4.102 3.972 4.192 . 0 0 "[ . 1 . 2]" 1 374 1 29 ALA MB 1 46 PHE HZ . . 6.120 3.144 2.308 4.346 . 0 0 "[ . 1 . 2]" 1 375 1 30 GLU H 1 30 GLU HA . . 2.770 2.861 2.838 2.873 0.103 12 0 "[ . 1 . 2]" 1 376 1 30 GLU H 1 30 GLU QB . . 3.740 2.290 1.945 2.761 . 0 0 "[ . 1 . 2]" 1 377 1 30 GLU H 1 30 GLU HG2 . . 3.920 3.087 2.014 3.864 . 0 0 "[ . 1 . 2]" 1 378 1 30 GLU H 1 30 GLU HG3 . . 3.920 3.715 3.130 4.024 0.104 10 0 "[ . 1 . 2]" 1 379 1 30 GLU H 1 31 ARG H . . 2.740 2.464 2.310 2.634 . 0 0 "[ . 1 . 2]" 1 380 1 30 GLU H 1 32 VAL H . . 3.950 4.043 4.032 4.049 0.099 7 0 "[ . 1 . 2]" 1 381 1 30 GLU HA 1 30 GLU HG2 . . 3.730 2.751 2.173 3.804 0.074 10 0 "[ . 1 . 2]" 1 382 1 30 GLU HA 1 30 GLU QG . . 3.480 2.573 2.133 3.275 . 0 0 "[ . 1 . 2]" 1 383 1 30 GLU HA 1 30 GLU HG3 . . 3.730 3.508 2.710 3.695 . 0 0 "[ . 1 . 2]" 1 384 1 30 GLU HA 1 31 ARG H . . 3.550 3.363 3.177 3.553 0.003 10 0 "[ . 1 . 2]" 1 385 1 30 GLU QB 1 31 ARG H . . 4.450 3.393 2.809 3.988 . 0 0 "[ . 1 . 2]" 1 386 1 31 ARG H 1 31 ARG QB . . 3.540 2.418 2.251 2.554 . 0 0 "[ . 1 . 2]" 1 387 1 31 ARG H 1 32 VAL H . . 2.550 2.122 1.921 2.310 . 0 0 "[ . 1 . 2]" 1 388 1 31 ARG H 1 32 VAL MG2 . . 4.540 3.509 3.294 3.636 . 0 0 "[ . 1 . 2]" 1 389 1 31 ARG HA 1 32 VAL H . . 3.520 3.586 3.525 3.601 0.081 19 0 "[ . 1 . 2]" 1 390 1 31 ARG QB 1 32 VAL H . . 4.270 2.748 2.362 3.205 . 0 0 "[ . 1 . 2]" 1 391 1 31 ARG QB 1 104 ARG H . . 6.190 4.236 3.445 5.076 . 0 0 "[ . 1 . 2]" 1 392 1 32 VAL H 1 32 VAL HB . . 3.580 3.671 3.665 3.679 0.099 19 0 "[ . 1 . 2]" 1 393 1 32 VAL H 1 32 VAL MG1 . . 4.540 3.222 2.990 3.484 . 0 0 "[ . 1 . 2]" 1 394 1 32 VAL H 1 33 VAL H . . 5.100 4.405 4.281 4.508 . 0 0 "[ . 1 . 2]" 1 395 1 32 VAL HA 1 33 VAL H . . 2.490 2.351 2.119 2.491 0.001 8 0 "[ . 1 . 2]" 1 396 1 32 VAL HA 1 104 ARG HB2 . . 5.340 3.804 3.051 4.259 . 0 0 "[ . 1 . 2]" 1 397 1 32 VAL HB 1 33 VAL H . . 2.930 2.408 2.092 2.989 0.059 7 0 "[ . 1 . 2]" 1 398 1 32 VAL HB 1 103 VAL MG1 . . 6.500 3.622 3.287 4.098 . 0 0 "[ . 1 . 2]" 1 399 1 32 VAL QG 1 100 ALA MB . . 7.940 2.229 1.942 2.944 . 0 0 "[ . 1 . 2]" 1 400 1 32 VAL QG 1 103 VAL HB . . 6.600 2.271 2.049 2.485 . 0 0 "[ . 1 . 2]" 1 401 1 32 VAL QG 1 103 VAL MG1 . . 7.840 2.299 2.009 2.841 . 0 0 "[ . 1 . 2]" 1 402 1 32 VAL MG1 1 33 VAL H . . 4.950 3.443 3.300 3.608 . 0 0 "[ . 1 . 2]" 1 403 1 32 VAL MG1 1 37 PHE QE . . 7.610 3.488 2.580 4.178 . 0 0 "[ . 1 . 2]" 1 404 1 32 VAL MG1 1 37 PHE HZ . . 5.880 4.219 3.473 4.745 . 0 0 "[ . 1 . 2]" 1 405 1 32 VAL MG1 1 100 ALA HA . . 5.040 3.279 2.669 3.806 . 0 0 "[ . 1 . 2]" 1 406 1 32 VAL MG1 1 100 ALA MB . . 6.250 2.837 2.317 3.567 . 0 0 "[ . 1 . 2]" 1 407 1 32 VAL MG1 1 103 VAL H . . 6.530 4.147 3.925 4.372 . 0 0 "[ . 1 . 2]" 1 408 1 32 VAL MG1 1 103 VAL HB . . 4.230 2.291 2.059 2.515 . 0 0 "[ . 1 . 2]" 1 409 1 32 VAL MG1 1 103 VAL MG1 . . 6.350 2.333 2.022 2.902 . 0 0 "[ . 1 . 2]" 1 410 1 32 VAL MG1 1 103 VAL MG2 . . 6.190 3.579 3.277 3.810 . 0 0 "[ . 1 . 2]" 1 411 1 32 VAL MG1 1 104 ARG H . . 5.070 2.644 2.462 2.813 . 0 0 "[ . 1 . 2]" 1 412 1 32 VAL MG1 1 104 ARG HA . . 5.130 2.622 2.330 3.070 . 0 0 "[ . 1 . 2]" 1 413 1 32 VAL MG1 1 104 ARG HB2 . . 4.570 2.188 1.992 2.456 . 0 0 "[ . 1 . 2]" 1 414 1 32 VAL MG2 1 33 VAL H . . 5.040 3.716 3.425 4.153 . 0 0 "[ . 1 . 2]" 1 415 1 32 VAL MG2 1 37 PHE QD . . 7.790 4.147 3.638 4.581 . 0 0 "[ . 1 . 2]" 1 416 1 32 VAL MG2 1 37 PHE QE . . 6.420 2.387 2.061 2.918 . 0 0 "[ . 1 . 2]" 1 417 1 32 VAL MG2 1 37 PHE HZ . . 4.480 2.869 2.165 3.489 . 0 0 "[ . 1 . 2]" 1 418 1 32 VAL MG2 1 46 PHE QE . . 7.400 2.774 2.070 3.926 . 0 0 "[ . 1 . 2]" 1 419 1 32 VAL MG2 1 46 PHE HZ . . 5.130 3.201 2.574 4.075 . 0 0 "[ . 1 . 2]" 1 420 1 32 VAL MG2 1 100 ALA HA . . 6.030 3.570 3.169 3.914 . 0 0 "[ . 1 . 2]" 1 421 1 32 VAL MG2 1 100 ALA MB . . 6.840 2.344 1.991 3.137 . 0 0 "[ . 1 . 2]" 1 422 1 32 VAL MG2 1 103 VAL HB . . 4.950 3.735 3.191 4.004 . 0 0 "[ . 1 . 2]" 1 423 1 32 VAL MG2 1 103 VAL MG1 . . 6.590 3.497 3.232 4.054 . 0 0 "[ . 1 . 2]" 1 424 1 33 VAL H 1 33 VAL MG2 . . 3.920 2.318 2.174 2.470 . 0 0 "[ . 1 . 2]" 1 425 1 33 VAL H 1 36 ASP H . . 5.000 3.245 2.950 3.606 . 0 0 "[ . 1 . 2]" 1 426 1 33 VAL H 1 36 ASP HB2 . . 3.420 2.614 1.880 3.001 . 0 0 "[ . 1 . 2]" 1 427 1 33 VAL H 1 36 ASP HB3 . . 4.420 3.957 3.361 4.205 . 0 0 "[ . 1 . 2]" 1 428 1 33 VAL HA 1 33 VAL HB . . 2.930 2.514 2.417 2.643 . 0 0 "[ . 1 . 2]" 1 429 1 33 VAL HA 1 34 ALA H . . 2.650 2.545 2.418 2.720 0.070 19 0 "[ . 1 . 2]" 1 430 1 33 VAL HA 1 46 PHE QE . . 6.080 2.810 2.322 3.338 . 0 0 "[ . 1 . 2]" 1 431 1 33 VAL HB 1 34 ALA H . . 2.550 2.416 2.094 2.618 0.068 5 0 "[ . 1 . 2]" 1 432 1 33 VAL HB 1 35 ASP H . . 3.240 3.027 2.467 3.303 0.063 9 0 "[ . 1 . 2]" 1 433 1 33 VAL MG1 1 34 ALA H . . 5.230 3.653 3.270 3.836 . 0 0 "[ . 1 . 2]" 1 434 1 33 VAL MG2 1 34 ALA H . . 5.190 3.541 3.120 3.841 . 0 0 "[ . 1 . 2]" 1 435 1 33 VAL MG2 1 35 ASP H . . 4.080 2.481 1.867 3.182 . 0 0 "[ . 1 . 2]" 1 436 1 33 VAL MG2 1 35 ASP HB2 . . 5.130 2.576 2.063 3.551 . 0 0 "[ . 1 . 2]" 1 437 1 33 VAL MG2 1 35 ASP HB3 . . 5.350 3.388 2.413 4.025 . 0 0 "[ . 1 . 2]" 1 438 1 33 VAL MG2 1 36 ASP H . . 4.230 2.604 2.160 3.328 . 0 0 "[ . 1 . 2]" 1 439 1 34 ALA H 1 35 ASP H . . 3.270 2.838 2.643 3.020 . 0 0 "[ . 1 . 2]" 1 440 1 34 ALA H 1 46 PHE QD . . 6.330 3.159 2.548 3.666 . 0 0 "[ . 1 . 2]" 1 441 1 34 ALA H 1 46 PHE QE . . 6.420 3.015 2.688 3.364 . 0 0 "[ . 1 . 2]" 1 442 1 34 ALA HA 1 36 ASP H . . 4.200 3.912 3.656 4.209 0.009 12 0 "[ . 1 . 2]" 1 443 1 34 ALA HA 1 37 PHE H . . 3.890 3.627 3.097 3.965 0.075 8 0 "[ . 1 . 2]" 1 444 1 34 ALA HA 1 37 PHE QD . . 3.100 2.736 2.020 3.158 0.058 2 0 "[ . 1 . 2]" 1 445 1 34 ALA HA 1 37 PHE QE . . 6.700 4.076 3.265 5.034 . 0 0 "[ . 1 . 2]" 1 446 1 34 ALA HA 1 46 PHE QD . . 5.240 3.054 2.304 3.585 . 0 0 "[ . 1 . 2]" 1 447 1 34 ALA MB 1 35 ASP H . . 4.080 2.741 2.411 2.986 . 0 0 "[ . 1 . 2]" 1 448 1 34 ALA MB 1 35 ASP HA . . 5.500 3.852 3.567 4.039 . 0 0 "[ . 1 . 2]" 1 449 1 34 ALA MB 1 37 PHE QD . . 7.790 4.252 3.604 4.634 . 0 0 "[ . 1 . 2]" 1 450 1 34 ALA MB 1 43 ARG HA . . 4.790 3.450 2.603 3.835 . 0 0 "[ . 1 . 2]" 1 451 1 34 ALA MB 1 46 PHE HB2 . . 5.690 4.160 3.596 4.651 . 0 0 "[ . 1 . 2]" 1 452 1 34 ALA MB 1 46 PHE HB3 . . 5.500 2.752 2.243 3.205 . 0 0 "[ . 1 . 2]" 1 453 1 34 ALA MB 1 46 PHE QD . . 6.060 2.233 2.082 2.519 . 0 0 "[ . 1 . 2]" 1 454 1 34 ALA MB 1 46 PHE QE . . 7.420 3.656 3.096 4.109 . 0 0 "[ . 1 . 2]" 1 455 1 34 ALA MB 1 47 THR H . . 6.030 3.542 2.720 4.118 . 0 0 "[ . 1 . 2]" 1 456 1 34 ALA MB 1 47 THR MG . . 6.630 3.710 2.556 4.188 . 0 0 "[ . 1 . 2]" 1 457 1 35 ASP H 1 35 ASP HB2 . . 2.650 2.269 2.048 2.558 . 0 0 "[ . 1 . 2]" 1 458 1 35 ASP HA 1 35 ASP HB3 . . 3.050 2.737 2.483 3.043 . 0 0 "[ . 1 . 2]" 1 459 1 35 ASP HA 1 36 ASP H . . 3.450 3.491 3.423 3.528 0.078 2 0 "[ . 1 . 2]" 1 460 1 35 ASP HA 1 37 PHE H . . 4.320 4.006 3.719 4.380 0.060 15 0 "[ . 1 . 2]" 1 461 1 35 ASP HA 1 43 ARG HD2 . . 4.450 3.350 2.317 4.523 0.073 2 0 "[ . 1 . 2]" 1 462 1 35 ASP HA 1 43 ARG QD . . 4.280 2.938 2.142 3.606 . 0 0 "[ . 1 . 2]" 1 463 1 35 ASP HA 1 43 ARG HD3 . . 4.450 3.591 2.517 4.535 0.085 6 0 "[ . 1 . 2]" 1 464 1 35 ASP HB2 1 36 ASP H . . 3.830 3.523 3.098 3.915 0.085 15 0 "[ . 1 . 2]" 1 465 1 35 ASP HB3 1 36 ASP H . . 3.980 3.720 2.925 4.049 0.069 17 0 "[ . 1 . 2]" 1 466 1 36 ASP H 1 36 ASP HB2 . . 2.770 2.333 2.265 2.408 . 0 0 "[ . 1 . 2]" 1 467 1 36 ASP H 1 36 ASP HB3 . . 3.450 3.527 3.493 3.535 0.085 7 0 "[ . 1 . 2]" 1 468 1 36 ASP H 1 37 PHE H . . 2.930 2.423 2.176 2.629 . 0 0 "[ . 1 . 2]" 1 469 1 36 ASP H 1 37 PHE QD . . 6.100 3.487 3.091 4.331 . 0 0 "[ . 1 . 2]" 1 470 1 36 ASP HA 1 107 ALA MB . . 3.290 2.389 1.998 2.687 . 0 0 "[ . 1 . 2]" 1 471 1 36 ASP HB2 1 37 PHE H . . 4.070 2.988 2.617 3.304 . 0 0 "[ . 1 . 2]" 1 472 1 36 ASP HB2 1 103 VAL MG1 . . 5.130 3.355 2.626 4.188 . 0 0 "[ . 1 . 2]" 1 473 1 36 ASP HB2 1 107 ALA MB . . 4.750 3.708 3.478 4.056 . 0 0 "[ . 1 . 2]" 1 474 1 36 ASP HB3 1 103 VAL MG1 . . 4.670 2.722 2.195 3.216 . 0 0 "[ . 1 . 2]" 1 475 1 36 ASP HB3 1 107 ALA MB . . 3.850 2.355 2.072 2.784 . 0 0 "[ . 1 . 2]" 1 476 1 37 PHE H 1 37 PHE HB2 . . 2.800 2.363 2.193 2.482 . 0 0 "[ . 1 . 2]" 1 477 1 37 PHE H 1 37 PHE HB3 . . 3.520 3.569 3.490 3.594 0.074 19 0 "[ . 1 . 2]" 1 478 1 37 PHE HA 1 38 TYR H . . 2.740 2.238 2.119 2.414 . 0 0 "[ . 1 . 2]" 1 479 1 37 PHE HA 1 39 THR H . . 4.570 3.839 3.185 4.629 0.059 15 0 "[ . 1 . 2]" 1 480 1 37 PHE HA 1 103 VAL MG1 . . 4.220 3.126 2.626 3.659 . 0 0 "[ . 1 . 2]" 1 481 1 37 PHE HB3 1 39 THR H . . 3.760 3.512 2.800 3.832 0.072 19 0 "[ . 1 . 2]" 1 482 1 37 PHE QD 1 42 HIS HB3 . . 5.970 2.331 2.050 4.157 . 0 0 "[ . 1 . 2]" 1 483 1 37 PHE QD 1 42 HIS HD1 . . 5.420 3.462 2.700 4.406 . 0 0 "[ . 1 . 2]" 1 484 1 37 PHE QD 1 103 VAL MG1 . . 6.990 3.246 2.305 3.689 . 0 0 "[ . 1 . 2]" 1 485 1 37 PHE QE 1 103 VAL MG1 . . 7.190 3.073 2.559 3.738 . 0 0 "[ . 1 . 2]" 1 486 1 37 PHE QE 1 103 VAL MG2 . . 7.760 3.387 2.380 4.063 . 0 0 "[ . 1 . 2]" 1 487 1 38 TYR H 1 38 TYR HB2 . . 3.110 2.725 2.367 3.192 0.082 11 0 "[ . 1 . 2]" 1 488 1 38 TYR H 1 38 TYR HB3 . . 3.170 2.395 2.224 2.694 . 0 0 "[ . 1 . 2]" 1 489 1 38 TYR H 1 39 THR H . . 3.210 2.513 1.770 3.023 . 0 0 "[ . 1 . 2]" 1 490 1 38 TYR HB3 1 39 THR H . . 3.140 2.830 2.400 3.207 0.067 1 0 "[ . 1 . 2]" 1 491 1 38 TYR QD 1 39 THR MG . . 6.370 3.316 2.177 4.801 . 0 0 "[ . 1 . 2]" 1 492 1 38 TYR QD 1 110 ARG QD . . 8.520 4.314 2.400 5.869 . 0 0 "[ . 1 . 2]" 1 493 1 38 TYR QE 1 39 THR MG . . 7.510 4.347 3.063 5.297 . 0 0 "[ . 1 . 2]" 1 494 1 38 TYR QE 1 110 ARG QD . . 8.510 5.096 3.155 6.987 . 0 0 "[ . 1 . 2]" 1 495 1 39 THR H 1 39 THR HB . . 3.550 3.090 2.325 3.631 0.081 19 0 "[ . 1 . 2]" 1 496 1 39 THR H 1 39 THR MG . . 4.300 3.082 1.921 3.661 . 0 0 "[ . 1 . 2]" 1 497 1 39 THR H 1 42 HIS HB2 . . 3.580 3.413 2.499 3.669 0.089 1 0 "[ . 1 . 2]" 1 498 1 39 THR HA 1 39 THR HB . . 2.740 2.694 2.229 2.849 0.109 11 0 "[ . 1 . 2]" 1 499 1 39 THR HB 1 41 PRO QD . . 4.950 3.064 2.098 4.067 . 0 0 "[ . 1 . 2]" 1 500 1 39 THR HB 1 41 PRO QG . . 6.380 3.432 2.748 4.168 . 0 0 "[ . 1 . 2]" 1 501 1 39 THR HB 1 42 HIS H . . 4.380 2.972 2.201 3.977 . 0 0 "[ . 1 . 2]" 1 502 1 39 THR MG 1 41 PRO QD . . 6.380 2.825 2.075 4.004 . 0 0 "[ . 1 . 2]" 1 503 1 39 THR MG 1 42 HIS H . . 6.530 3.669 2.709 4.485 . 0 0 "[ . 1 . 2]" 1 504 1 39 THR MG 1 42 HIS HD1 . . 4.320 3.280 2.520 3.577 . 0 0 "[ . 1 . 2]" 1 505 1 39 THR MG 1 42 HIS HE1 . . 6.000 3.603 3.029 4.467 . 0 0 "[ . 1 . 2]" 1 506 1 41 PRO HA 1 43 ARG H . . 4.540 4.457 4.217 4.619 0.079 15 0 "[ . 1 . 2]" 1 507 1 41 PRO HA 1 44 HIS H . . 3.760 3.476 3.120 3.811 0.051 15 0 "[ . 1 . 2]" 1 508 1 41 PRO HA 1 44 HIS HB2 . . 3.890 2.635 2.365 3.969 0.079 11 0 "[ . 1 . 2]" 1 509 1 41 PRO HA 1 44 HIS HB3 . . 3.890 3.820 2.555 3.966 0.076 1 0 "[ . 1 . 2]" 1 510 1 41 PRO HA 1 77 VAL HA . . 3.360 2.904 2.223 3.440 0.080 11 0 "[ . 1 . 2]" 1 511 1 41 PRO HA 1 77 VAL MG1 . . 4.570 2.525 2.096 3.141 . 0 0 "[ . 1 . 2]" 1 512 1 41 PRO HB2 1 42 HIS H . . 3.730 3.385 3.052 3.779 0.049 18 0 "[ . 1 . 2]" 1 513 1 41 PRO HB2 1 77 VAL HA . . 5.040 3.339 2.530 4.837 . 0 0 "[ . 1 . 2]" 1 514 1 41 PRO HB3 1 77 VAL HA . . 4.010 2.305 2.000 3.290 . 0 0 "[ . 1 . 2]" 1 515 1 41 PRO QG 1 77 VAL HA . . 6.380 4.209 3.556 5.006 . 0 0 "[ . 1 . 2]" 1 516 1 42 HIS H 1 42 HIS HB2 . . 2.770 2.501 2.363 2.600 . 0 0 "[ . 1 . 2]" 1 517 1 42 HIS H 1 42 HIS HB3 . . 3.580 3.581 3.480 3.629 0.049 4 0 "[ . 1 . 2]" 1 518 1 42 HIS H 1 42 HIS HD2 . . 3.920 3.028 2.546 3.407 . 0 0 "[ . 1 . 2]" 1 519 1 42 HIS H 1 43 ARG H . . 3.050 2.658 2.470 2.932 . 0 0 "[ . 1 . 2]" 1 520 1 42 HIS HA 1 42 HIS HD2 . . 3.110 2.491 2.355 2.724 . 0 0 "[ . 1 . 2]" 1 521 1 42 HIS HA 1 45 ILE H . . 3.860 3.579 3.260 3.924 0.064 11 0 "[ . 1 . 2]" 1 522 1 42 HIS HA 1 45 ILE HB . . 3.580 2.943 2.441 3.644 0.064 11 0 "[ . 1 . 2]" 1 523 1 42 HIS HA 1 45 ILE MD . . 4.730 2.505 2.162 2.805 . 0 0 "[ . 1 . 2]" 1 524 1 42 HIS HB2 1 42 HIS HD1 . . 3.500 2.821 2.625 3.062 . 0 0 "[ . 1 . 2]" 1 525 1 42 HIS HB2 1 43 ARG H . . 3.450 2.734 2.493 2.918 . 0 0 "[ . 1 . 2]" 1 526 1 42 HIS HB3 1 42 HIS HD1 . . 3.040 2.963 2.728 3.108 0.068 9 0 "[ . 1 . 2]" 1 527 1 42 HIS HB3 1 43 ARG H . . 3.860 3.749 3.445 3.907 0.047 2 0 "[ . 1 . 2]" 1 528 1 42 HIS HD2 1 45 ILE MD . . 4.080 3.038 2.366 3.452 . 0 0 "[ . 1 . 2]" 1 529 1 42 HIS HD2 1 82 TYR QE . . 5.370 2.768 2.277 3.606 . 0 0 "[ . 1 . 2]" 1 530 1 43 ARG H 1 43 ARG QB . . 3.610 2.261 2.069 2.586 . 0 0 "[ . 1 . 2]" 1 531 1 43 ARG H 1 44 HIS H . . 2.740 2.800 2.703 2.817 0.077 17 0 "[ . 1 . 2]" 1 532 1 43 ARG HA 1 43 ARG QG . . 3.620 2.182 2.057 2.463 . 0 0 "[ . 1 . 2]" 1 533 1 43 ARG HA 1 44 HIS H . . 3.580 3.606 3.547 3.645 0.065 15 0 "[ . 1 . 2]" 1 534 1 43 ARG HA 1 46 PHE H . . 4.320 3.515 3.260 3.722 . 0 0 "[ . 1 . 2]" 1 535 1 43 ARG QB 1 44 HIS H . . 3.100 2.485 2.307 2.892 . 0 0 "[ . 1 . 2]" 1 536 1 43 ARG HB2 1 44 HIS H . . 3.390 3.068 2.395 3.472 0.082 14 0 "[ . 1 . 2]" 1 537 1 43 ARG HB3 1 44 HIS H . . 3.390 2.915 2.342 3.480 0.090 11 0 "[ . 1 . 2]" 1 538 1 44 HIS H 1 44 HIS HA . . 2.930 2.753 2.703 2.811 . 0 0 "[ . 1 . 2]" 1 539 1 44 HIS H 1 44 HIS QB . . 3.420 2.272 1.928 2.443 . 0 0 "[ . 1 . 2]" 1 540 1 44 HIS H 1 44 HIS HD2 . . 4.260 4.345 4.324 4.372 0.112 11 0 "[ . 1 . 2]" 1 541 1 44 HIS H 1 45 ILE H . . 3.140 2.992 2.577 3.176 0.036 13 0 "[ . 1 . 2]" 1 542 1 44 HIS HA 1 44 HIS HD2 . . 3.670 2.744 2.370 3.753 0.083 15 0 "[ . 1 . 2]" 1 543 1 44 HIS HA 1 47 THR H . . 3.520 3.577 3.453 3.609 0.089 1 0 "[ . 1 . 2]" 1 544 1 44 HIS HB2 1 45 ILE H . . 3.550 2.698 2.313 3.647 0.097 11 0 "[ . 1 . 2]" 1 545 1 44 HIS HB2 1 77 VAL MG1 . . 4.640 2.255 2.028 3.112 . 0 0 "[ . 1 . 2]" 1 546 1 44 HIS HB3 1 45 ILE H . . 3.550 3.092 2.581 3.592 0.042 17 0 "[ . 1 . 2]" 1 547 1 44 HIS HB3 1 77 VAL MG1 . . 4.640 2.145 1.993 2.538 . 0 0 "[ . 1 . 2]" 1 548 1 44 HIS HD2 1 68 LEU MD2 . . 4.230 3.549 2.108 3.681 . 0 0 "[ . 1 . 2]" 1 549 1 44 HIS HD2 1 77 VAL MG1 . . 4.540 3.838 3.230 3.937 . 0 0 "[ . 1 . 2]" 1 550 1 45 ILE H 1 45 ILE HB . . 2.860 2.405 2.277 2.775 . 0 0 "[ . 1 . 2]" 1 551 1 45 ILE H 1 45 ILE MD . . 4.790 3.057 1.863 3.425 . 0 0 "[ . 1 . 2]" 1 552 1 45 ILE H 1 45 ILE HG12 . . 4.450 3.679 3.410 4.063 . 0 0 "[ . 1 . 2]" 1 553 1 45 ILE H 1 45 ILE HG13 . . 2.990 2.396 2.048 3.071 0.081 10 0 "[ . 1 . 2]" 1 554 1 45 ILE H 1 46 PHE H . . 3.170 2.914 2.697 3.180 0.010 11 0 "[ . 1 . 2]" 1 555 1 45 ILE H 1 77 VAL MG1 . . 5.690 3.443 2.981 4.507 . 0 0 "[ . 1 . 2]" 1 556 1 45 ILE HA 1 48 GLU H . . 3.950 3.507 3.314 4.017 0.067 19 0 "[ . 1 . 2]" 1 557 1 45 ILE HA 1 64 LEU MD1 . . 5.130 2.789 2.236 3.517 . 0 0 "[ . 1 . 2]" 1 558 1 45 ILE HA 1 68 LEU MD2 . . 5.130 3.534 2.956 4.058 . 0 0 "[ . 1 . 2]" 1 559 1 45 ILE HB 1 46 PHE H . . 3.170 2.611 2.487 2.778 . 0 0 "[ . 1 . 2]" 1 560 1 45 ILE MD 1 77 VAL HB . . 5.100 2.801 2.237 4.181 . 0 0 "[ . 1 . 2]" 1 561 1 45 ILE MD 1 82 TYR QD . . 7.240 2.940 2.306 3.586 . 0 0 "[ . 1 . 2]" 1 562 1 45 ILE MD 1 82 TYR QE . . 7.050 3.116 2.294 4.319 . 0 0 "[ . 1 . 2]" 1 563 1 45 ILE MD 1 83 LEU MD2 . . 5.420 2.156 2.011 2.740 . 0 0 "[ . 1 . 2]" 1 564 1 45 ILE MD 1 86 LEU MD1 . . 5.820 2.019 1.881 2.472 . 0 0 "[ . 1 . 2]" 1 565 1 45 ILE MG 1 46 PHE H . . 5.130 3.205 2.917 3.439 . 0 0 "[ . 1 . 2]" 1 566 1 45 ILE MG 1 49 MET ME . . 5.660 2.185 1.982 2.944 . 0 0 "[ . 1 . 2]" 1 567 1 45 ILE MG 1 49 MET QG . . 6.380 2.616 2.325 3.109 . 0 0 "[ . 1 . 2]" 1 568 1 46 PHE H 1 46 PHE HB2 . . 2.800 2.310 2.141 2.526 . 0 0 "[ . 1 . 2]" 1 569 1 46 PHE H 1 46 PHE HB3 . . 2.900 2.768 2.594 2.936 0.036 11 0 "[ . 1 . 2]" 1 570 1 46 PHE H 1 47 THR H . . 3.170 2.853 2.774 2.933 . 0 0 "[ . 1 . 2]" 1 571 1 46 PHE HA 1 49 MET H . . 3.670 3.510 3.275 3.733 0.063 17 0 "[ . 1 . 2]" 1 572 1 46 PHE HA 1 50 ALA H . . 4.570 3.819 3.698 4.077 . 0 0 "[ . 1 . 2]" 1 573 1 46 PHE HB2 1 47 THR H . . 3.950 3.853 3.647 3.996 0.046 8 0 "[ . 1 . 2]" 1 574 1 46 PHE HB3 1 47 THR H . . 3.140 2.754 2.482 2.995 . 0 0 "[ . 1 . 2]" 1 575 1 46 PHE QD 1 47 THR H . . 6.860 3.958 3.349 4.272 . 0 0 "[ . 1 . 2]" 1 576 1 46 PHE HD1 1 50 ALA MB . . 5.350 3.683 2.655 5.707 0.357 1 0 "[ . 1 . 2]" 1 577 1 47 THR H 1 47 THR HB . . 2.800 2.494 2.242 2.810 0.010 19 0 "[ . 1 . 2]" 1 578 1 47 THR H 1 48 GLU H . . 3.020 2.723 2.602 3.072 0.052 17 0 "[ . 1 . 2]" 1 579 1 47 THR HA 1 50 ALA H . . 3.670 3.554 3.243 3.732 0.062 17 0 "[ . 1 . 2]" 1 580 1 47 THR HA 1 50 ALA MB . . 4.300 2.600 2.315 2.942 . 0 0 "[ . 1 . 2]" 1 581 1 47 THR HA 1 51 ARG H . . 3.860 3.932 3.906 3.946 0.086 7 0 "[ . 1 . 2]" 1 582 1 47 THR HB 1 48 GLU H . . 2.900 2.725 2.423 2.967 0.067 1 0 "[ . 1 . 2]" 1 583 1 47 THR MG 1 48 GLU H . . 6.030 3.645 3.188 3.878 . 0 0 "[ . 1 . 2]" 1 584 1 48 GLU H 1 48 GLU HB2 . . 2.770 2.337 2.065 2.572 . 0 0 "[ . 1 . 2]" 1 585 1 48 GLU H 1 48 GLU HB3 . . 2.770 2.746 2.555 2.852 0.082 9 0 "[ . 1 . 2]" 1 586 1 48 GLU H 1 48 GLU QG . . 4.950 4.054 3.644 4.160 . 0 0 "[ . 1 . 2]" 1 587 1 48 GLU H 1 49 MET H . . 2.930 2.563 2.362 2.717 . 0 0 "[ . 1 . 2]" 1 588 1 48 GLU H 1 64 LEU MD1 . . 6.530 3.951 3.490 4.259 . 0 0 "[ . 1 . 2]" 1 589 1 48 GLU H 1 68 LEU MD2 . . 6.530 4.145 3.523 5.225 . 0 0 "[ . 1 . 2]" 1 590 1 48 GLU HA 1 51 ARG H . . 3.360 3.173 2.900 3.423 0.063 15 0 "[ . 1 . 2]" 1 591 1 48 GLU HA 1 51 ARG QB . . 4.300 2.370 1.954 3.768 . 0 0 "[ . 1 . 2]" 1 592 1 48 GLU HB3 1 49 MET H . . 3.390 2.878 2.418 3.185 . 0 0 "[ . 1 . 2]" 1 593 1 48 GLU QG 1 52 LEU MD1 . . 6.290 2.874 2.193 4.257 . 0 0 "[ . 1 . 2]" 1 594 1 48 GLU QG 1 64 LEU MD1 . . 5.610 2.678 2.104 3.518 . 0 0 "[ . 1 . 2]" 1 595 1 48 GLU QG 1 68 LEU H . . 6.380 3.159 2.622 3.799 . 0 0 "[ . 1 . 2]" 1 596 1 49 MET H 1 49 MET HB2 . . 2.860 2.405 2.347 2.502 . 0 0 "[ . 1 . 2]" 1 597 1 49 MET H 1 49 MET HB3 . . 3.580 3.590 3.551 3.629 0.049 5 0 "[ . 1 . 2]" 1 598 1 49 MET H 1 49 MET QG . . 4.210 2.458 2.290 2.733 . 0 0 "[ . 1 . 2]" 1 599 1 49 MET H 1 50 ALA H . . 3.170 2.750 2.670 2.840 . 0 0 "[ . 1 . 2]" 1 600 1 49 MET H 1 51 ARG H . . 5.500 4.126 3.926 4.300 . 0 0 "[ . 1 . 2]" 1 601 1 49 MET H 1 52 LEU MD1 . . 6.530 4.258 3.924 4.713 . 0 0 "[ . 1 . 2]" 1 602 1 49 MET H 1 64 LEU MD1 . . 5.810 2.952 2.449 3.374 . 0 0 "[ . 1 . 2]" 1 603 1 49 MET HA 1 52 LEU H . . 3.950 3.454 3.288 3.674 . 0 0 "[ . 1 . 2]" 1 604 1 49 MET HA 1 52 LEU MD1 . . 4.820 2.687 2.383 3.144 . 0 0 "[ . 1 . 2]" 1 605 1 49 MET HA 1 59 ILE MG . . 4.420 2.369 2.160 2.769 . 0 0 "[ . 1 . 2]" 1 606 1 49 MET HA 1 64 LEU MD1 . . 5.570 2.949 2.426 3.891 . 0 0 "[ . 1 . 2]" 1 607 1 49 MET HB2 1 50 ALA H . . 3.110 2.487 2.384 2.616 . 0 0 "[ . 1 . 2]" 1 608 1 49 MET HB3 1 50 ALA H . . 3.520 3.386 3.246 3.537 0.017 18 0 "[ . 1 . 2]" 1 609 1 49 MET ME 1 59 ILE MD . . 6.870 3.225 2.322 3.943 . 0 0 "[ . 1 . 2]" 1 610 1 49 MET ME 1 59 ILE MG . . 6.940 4.125 3.808 4.589 . 0 0 "[ . 1 . 2]" 1 611 1 49 MET ME 1 64 LEU MD1 . . 6.280 3.084 2.626 3.475 . 0 0 "[ . 1 . 2]" 1 612 1 49 MET ME 1 64 LEU MD2 . . 5.450 2.091 1.922 2.607 . 0 0 "[ . 1 . 2]" 1 613 1 49 MET QG 1 59 ILE MG . . 7.070 2.986 2.582 3.298 . 0 0 "[ . 1 . 2]" 1 614 1 49 MET QG 1 64 LEU MD1 . . 5.950 2.052 1.928 2.412 . 0 0 "[ . 1 . 2]" 1 615 1 50 ALA H 1 51 ARG H . . 2.900 2.817 2.663 2.886 . 0 0 "[ . 1 . 2]" 1 616 1 50 ALA HA 1 51 ARG H . . 3.580 3.587 3.545 3.625 0.045 12 0 "[ . 1 . 2]" 1 617 1 50 ALA HA 1 53 GLN H . . 3.760 3.662 3.234 3.818 0.058 13 0 "[ . 1 . 2]" 1 618 1 50 ALA HA 1 53 GLN HB2 . . 3.670 3.474 2.744 3.736 0.066 18 0 "[ . 1 . 2]" 1 619 1 50 ALA HA 1 53 GLN HB3 . . 3.670 2.984 2.593 3.382 . 0 0 "[ . 1 . 2]" 1 620 1 50 ALA HA 1 54 GLU H . . 4.450 3.949 3.679 4.276 . 0 0 "[ . 1 . 2]" 1 621 1 50 ALA MB 1 51 ARG H . . 3.740 2.469 2.324 2.690 . 0 0 "[ . 1 . 2]" 1 622 1 51 ARG H 1 51 ARG QB . . 3.520 2.257 2.092 2.497 . 0 0 "[ . 1 . 2]" 1 623 1 51 ARG H 1 51 ARG QG . . 4.490 3.458 2.437 4.070 . 0 0 "[ . 1 . 2]" 1 624 1 51 ARG H 1 52 LEU H . . 2.860 2.873 2.658 2.929 0.069 9 0 "[ . 1 . 2]" 1 625 1 51 ARG HA 1 51 ARG HG2 . . 3.890 3.135 2.339 3.907 0.017 1 0 "[ . 1 . 2]" 1 626 1 51 ARG HA 1 51 ARG QG . . 3.720 2.536 2.161 3.339 . 0 0 "[ . 1 . 2]" 1 627 1 51 ARG HA 1 51 ARG HG3 . . 3.890 2.900 2.230 3.811 . 0 0 "[ . 1 . 2]" 1 628 1 51 ARG HA 1 54 GLU H . . 3.550 3.505 3.189 3.632 0.082 11 0 "[ . 1 . 2]" 1 629 1 51 ARG QB 1 52 LEU H . . 4.050 2.709 2.346 3.691 . 0 0 "[ . 1 . 2]" 1 630 1 52 LEU H 1 52 LEU HB2 . . 2.520 2.152 2.120 2.175 . 0 0 "[ . 1 . 2]" 1 631 1 52 LEU H 1 52 LEU HB3 . . 3.360 3.440 3.433 3.446 0.086 11 0 "[ . 1 . 2]" 1 632 1 52 LEU H 1 52 LEU MD1 . . 5.410 3.415 3.282 3.617 . 0 0 "[ . 1 . 2]" 1 633 1 52 LEU H 1 52 LEU MD2 . . 5.630 3.883 3.772 3.928 . 0 0 "[ . 1 . 2]" 1 634 1 52 LEU H 1 52 LEU HG . . 2.620 2.674 2.565 2.696 0.076 19 0 "[ . 1 . 2]" 1 635 1 52 LEU H 1 59 ILE MG . . 6.530 4.081 3.856 4.592 . 0 0 "[ . 1 . 2]" 1 636 1 52 LEU HA 1 52 LEU MD2 . . 3.710 2.147 2.035 2.298 . 0 0 "[ . 1 . 2]" 1 637 1 52 LEU HA 1 52 LEU HG . . 4.040 2.694 2.578 2.869 . 0 0 "[ . 1 . 2]" 1 638 1 52 LEU HA 1 55 SER H . . 3.210 3.268 3.093 3.303 0.093 9 0 "[ . 1 . 2]" 1 639 1 52 LEU HB2 1 53 GLN H . . 3.050 2.592 2.450 2.682 . 0 0 "[ . 1 . 2]" 1 640 1 52 LEU HB2 1 59 ILE MG . . 4.480 2.538 2.157 3.399 . 0 0 "[ . 1 . 2]" 1 641 1 52 LEU HB3 1 53 GLN H . . 3.240 3.184 3.087 3.297 0.057 2 0 "[ . 1 . 2]" 1 642 1 52 LEU HB3 1 57 SER HB2 . . 4.420 2.631 2.111 3.276 . 0 0 "[ . 1 . 2]" 1 643 1 52 LEU MD1 1 59 ILE HA . . 4.920 2.661 2.343 3.079 . 0 0 "[ . 1 . 2]" 1 644 1 52 LEU MD1 1 63 THR MG . . 5.660 2.541 2.024 3.048 . 0 0 "[ . 1 . 2]" 1 645 1 52 LEU MD1 1 64 LEU HA . . 4.170 2.040 1.952 2.172 . 0 0 "[ . 1 . 2]" 1 646 1 52 LEU MD1 1 67 SER H . . 6.530 3.764 3.483 4.167 . 0 0 "[ . 1 . 2]" 1 647 1 52 LEU MD1 1 67 SER HB3 . . 5.320 2.548 2.305 3.052 . 0 0 "[ . 1 . 2]" 1 648 1 52 LEU MD2 1 53 GLN H . . 6.530 4.697 4.606 4.776 . 0 0 "[ . 1 . 2]" 1 649 1 52 LEU MD2 1 57 SER HB2 . . 4.610 2.220 2.095 2.358 . 0 0 "[ . 1 . 2]" 1 650 1 52 LEU MD2 1 57 SER HB3 . . 4.330 2.432 2.182 2.755 . 0 0 "[ . 1 . 2]" 1 651 1 52 LEU MD2 1 63 THR MG . . 5.940 2.165 1.972 2.474 . 0 0 "[ . 1 . 2]" 1 652 1 52 LEU MD2 1 67 SER HB2 . . 4.880 2.352 2.129 3.059 . 0 0 "[ . 1 . 2]" 1 653 1 52 LEU MD2 1 67 SER HB3 . . 5.350 3.444 3.146 4.016 . 0 0 "[ . 1 . 2]" 1 654 1 53 GLN H 1 53 GLN HB2 . . 2.740 2.197 2.086 2.306 . 0 0 "[ . 1 . 2]" 1 655 1 53 GLN H 1 53 GLN HB3 . . 2.740 2.687 2.504 2.810 0.070 18 0 "[ . 1 . 2]" 1 656 1 53 GLN H 1 54 GLU H . . 3.020 2.732 2.664 2.808 . 0 0 "[ . 1 . 2]" 1 657 1 53 GLN H 1 59 ILE MG . . 5.320 3.004 2.762 3.436 . 0 0 "[ . 1 . 2]" 1 658 1 53 GLN HA 1 56 GLY H . . 3.210 3.249 3.046 3.295 0.085 2 0 "[ . 1 . 2]" 1 659 1 53 GLN HA 1 57 SER H . . 2.770 2.830 2.662 2.854 0.084 3 0 "[ . 1 . 2]" 1 660 1 53 GLN HA 1 59 ILE MG . . 5.410 3.650 3.380 4.224 . 0 0 "[ . 1 . 2]" 1 661 1 53 GLN QB 1 54 GLU H . . 3.370 2.473 2.312 2.635 . 0 0 "[ . 1 . 2]" 1 662 1 53 GLN QB 1 59 ILE MG . . 6.320 2.621 2.222 3.212 . 0 0 "[ . 1 . 2]" 1 663 1 53 GLN HB2 1 54 GLU H . . 3.550 3.631 3.599 3.644 0.094 17 0 "[ . 1 . 2]" 1 664 1 53 GLN HB3 1 54 GLU H . . 3.550 2.518 2.339 2.704 . 0 0 "[ . 1 . 2]" 1 665 1 53 GLN HE21 1 59 ILE MG . . 6.530 3.613 2.199 5.389 . 0 0 "[ . 1 . 2]" 1 666 1 53 GLN HE22 1 59 ILE MG . . 6.530 3.777 2.785 5.471 . 0 0 "[ . 1 . 2]" 1 667 1 53 GLN HG2 1 59 ILE MG . . 5.690 4.287 3.612 4.857 . 0 0 "[ . 1 . 2]" 1 668 1 53 GLN HG3 1 54 GLU H . . 5.500 4.267 3.784 4.938 . 0 0 "[ . 1 . 2]" 1 669 1 54 GLU H 1 54 GLU HA . . 2.800 2.836 2.805 2.857 0.057 1 0 "[ . 1 . 2]" 1 670 1 54 GLU H 1 54 GLU HB2 . . 2.650 2.439 1.973 2.634 . 0 0 "[ . 1 . 2]" 1 671 1 54 GLU H 1 54 GLU HB3 . . 2.740 2.569 2.280 2.827 0.087 15 0 "[ . 1 . 2]" 1 672 1 54 GLU H 1 55 SER H . . 2.800 2.777 2.602 2.867 0.067 17 0 "[ . 1 . 2]" 1 673 1 54 GLU HA 1 54 GLU HB2 . . 2.830 2.496 2.374 2.752 . 0 0 "[ . 1 . 2]" 1 674 1 54 GLU HA 1 55 SER H . . 3.500 3.561 3.532 3.581 0.081 15 0 "[ . 1 . 2]" 1 675 1 54 GLU HA 1 56 GLY H . . 3.640 3.689 3.619 3.720 0.080 6 0 "[ . 1 . 2]" 1 676 1 54 GLU HB3 1 55 SER H . . 3.140 2.852 2.594 3.037 . 0 0 "[ . 1 . 2]" 1 677 1 54 GLU QG 1 55 SER H . . 6.380 3.965 3.506 4.442 . 0 0 "[ . 1 . 2]" 1 678 1 55 SER H 1 55 SER QB . . 3.640 2.502 2.053 2.959 . 0 0 "[ . 1 . 2]" 1 679 1 55 SER H 1 56 GLY H . . 2.830 2.638 2.480 2.776 . 0 0 "[ . 1 . 2]" 1 680 1 55 SER H 1 57 SER H . . 3.790 3.685 3.349 3.857 0.067 18 0 "[ . 1 . 2]" 1 681 1 55 SER HA 1 55 SER HB2 . . 2.830 2.730 2.385 2.928 0.098 16 0 "[ . 1 . 2]" 1 682 1 55 SER HA 1 55 SER HB3 . . 2.830 2.438 2.243 2.816 . 0 0 "[ . 1 . 2]" 1 683 1 56 GLY H 1 56 GLY HA2 . . 2.550 2.289 2.247 2.333 . 0 0 "[ . 1 . 2]" 1 684 1 56 GLY H 1 56 GLY HA3 . . 2.900 2.894 2.852 2.951 0.051 11 0 "[ . 1 . 2]" 1 685 1 56 GLY H 1 57 SER H . . 2.400 2.459 2.341 2.483 0.083 6 0 "[ . 1 . 2]" 1 686 1 56 GLY HA2 1 57 SER H . . 3.110 2.919 2.572 3.132 0.022 11 0 "[ . 1 . 2]" 1 687 1 57 SER H 1 57 SER HB2 . . 2.830 2.564 2.437 2.740 . 0 0 "[ . 1 . 2]" 1 688 1 57 SER HA 1 57 SER HB3 . . 3.050 2.467 2.397 2.522 . 0 0 "[ . 1 . 2]" 1 689 1 57 SER HA 1 58 PRO HD2 . . 3.390 2.521 2.335 2.907 . 0 0 "[ . 1 . 2]" 1 690 1 57 SER HA 1 58 PRO HD3 . . 3.390 2.387 2.037 2.566 . 0 0 "[ . 1 . 2]" 1 691 1 57 SER HB2 1 63 THR MG . . 5.970 3.808 3.441 4.071 . 0 0 "[ . 1 . 2]" 1 692 1 57 SER HB3 1 63 THR MG . . 5.540 2.823 2.303 3.144 . 0 0 "[ . 1 . 2]" 1 693 1 58 PRO HA 1 59 ILE H . . 2.680 2.290 2.156 2.409 . 0 0 "[ . 1 . 2]" 1 694 1 58 PRO HA 1 60 ASP H . . 3.980 3.887 3.737 4.052 0.072 18 0 "[ . 1 . 2]" 1 695 1 58 PRO HB2 1 59 ILE H . . 3.270 2.924 2.603 3.259 . 0 0 "[ . 1 . 2]" 1 696 1 58 PRO HB2 1 60 ASP H . . 3.270 2.174 2.001 2.757 . 0 0 "[ . 1 . 2]" 1 697 1 58 PRO HB2 1 63 THR MG . . 5.320 3.725 2.215 4.294 . 0 0 "[ . 1 . 2]" 1 698 1 58 PRO HB3 1 59 ILE H . . 3.580 3.385 2.741 3.646 0.066 4 0 "[ . 1 . 2]" 1 699 1 58 PRO HB3 1 60 ASP H . . 3.670 3.659 3.107 3.753 0.083 15 0 "[ . 1 . 2]" 1 700 1 58 PRO QG 1 63 THR MG . . 5.490 2.394 2.071 3.518 . 0 0 "[ . 1 . 2]" 1 701 1 59 ILE H 1 59 ILE HB . . 4.040 3.711 3.565 3.890 . 0 0 "[ . 1 . 2]" 1 702 1 59 ILE H 1 59 ILE HG12 . . 4.200 2.175 1.972 2.610 . 0 0 "[ . 1 . 2]" 1 703 1 59 ILE H 1 59 ILE QG . . 3.710 2.118 1.949 2.439 . 0 0 "[ . 1 . 2]" 1 704 1 59 ILE H 1 59 ILE HG13 . . 4.200 3.051 2.634 3.526 . 0 0 "[ . 1 . 2]" 1 705 1 59 ILE H 1 59 ILE MG . . 4.260 2.681 2.291 2.990 . 0 0 "[ . 1 . 2]" 1 706 1 59 ILE H 1 60 ASP H . . 2.900 2.595 2.168 2.785 . 0 0 "[ . 1 . 2]" 1 707 1 59 ILE HA 1 60 ASP H . . 2.930 2.951 2.841 3.007 0.077 17 0 "[ . 1 . 2]" 1 708 1 59 ILE HA 1 63 THR MG . . 5.720 4.215 3.806 4.665 . 0 0 "[ . 1 . 2]" 1 709 1 59 ILE HA 1 64 LEU H . . 4.600 4.393 3.988 4.672 0.072 17 0 "[ . 1 . 2]" 1 710 1 59 ILE MG 1 60 ASP H . . 6.280 4.286 4.227 4.366 . 0 0 "[ . 1 . 2]" 1 711 1 60 ASP H 1 60 ASP QB . . 3.550 2.192 2.030 2.715 . 0 0 "[ . 1 . 2]" 1 712 1 60 ASP H 1 63 THR HB . . 3.390 3.130 2.773 3.404 0.014 20 0 "[ . 1 . 2]" 1 713 1 60 ASP H 1 63 THR MG . . 6.530 4.021 3.625 4.475 . 0 0 "[ . 1 . 2]" 1 714 1 60 ASP HA 1 61 LEU H . . 2.770 2.327 2.193 2.473 . 0 0 "[ . 1 . 2]" 1 715 1 60 ASP QB 1 61 LEU H . . 3.840 3.065 2.218 3.485 . 0 0 "[ . 1 . 2]" 1 716 1 60 ASP QB 1 62 ILE H . . 4.800 3.590 2.970 4.176 . 0 0 "[ . 1 . 2]" 1 717 1 61 LEU H 1 61 LEU HB2 . . 2.860 2.411 2.114 2.670 . 0 0 "[ . 1 . 2]" 1 718 1 61 LEU H 1 61 LEU HB3 . . 2.740 2.584 2.167 2.804 0.064 5 0 "[ . 1 . 2]" 1 719 1 61 LEU H 1 61 LEU HG . . 5.500 4.496 4.412 4.572 . 0 0 "[ . 1 . 2]" 1 720 1 61 LEU H 1 62 ILE H . . 3.240 3.138 2.823 3.309 0.069 1 0 "[ . 1 . 2]" 1 721 1 61 LEU HA 1 61 LEU MD2 . . 4.390 2.939 2.095 3.773 . 0 0 "[ . 1 . 2]" 1 722 1 61 LEU HA 1 64 LEU H . . 3.860 3.820 3.626 3.936 0.076 18 0 "[ . 1 . 2]" 1 723 1 61 LEU HA 1 65 ALA H . . 3.950 3.875 3.623 4.039 0.089 3 0 "[ . 1 . 2]" 1 724 1 61 LEU HB3 1 62 ILE H . . 2.930 2.475 2.102 2.868 . 0 0 "[ . 1 . 2]" 1 725 1 61 LEU HB3 1 62 ILE MD . . 4.480 2.695 2.276 3.479 . 0 0 "[ . 1 . 2]" 1 726 1 61 LEU HB3 1 87 SER QB . . 6.380 4.718 3.656 5.516 . 0 0 "[ . 1 . 2]" 1 727 1 61 LEU MD1 1 62 ILE H . . 6.470 3.649 2.455 4.321 . 0 0 "[ . 1 . 2]" 1 728 1 61 LEU MD1 1 80 PHE HZ . . 4.480 2.936 1.881 3.710 . 0 0 "[ . 1 . 2]" 1 729 1 61 LEU MD1 1 84 ALA HA . . 4.260 3.370 3.140 3.469 . 0 0 "[ . 1 . 2]" 1 730 1 61 LEU MD1 1 84 ALA MB . . 5.660 3.387 2.923 3.683 . 0 0 "[ . 1 . 2]" 1 731 1 61 LEU MD1 1 87 SER QB . . 5.570 3.679 3.108 4.130 . 0 0 "[ . 1 . 2]" 1 732 1 61 LEU MD2 1 65 ALA H . . 6.530 5.056 3.534 5.554 . 0 0 "[ . 1 . 2]" 1 733 1 61 LEU MD2 1 80 PHE QE . . 7.720 3.327 2.145 4.710 . 0 0 "[ . 1 . 2]" 1 734 1 61 LEU MD2 1 83 LEU HB2 . . 4.230 3.236 2.408 3.455 . 0 0 "[ . 1 . 2]" 1 735 1 61 LEU MD2 1 83 LEU HB3 . . 4.880 2.935 2.065 3.821 . 0 0 "[ . 1 . 2]" 1 736 1 61 LEU MD2 1 84 ALA H . . 5.350 3.507 2.925 3.802 . 0 0 "[ . 1 . 2]" 1 737 1 61 LEU MD2 1 84 ALA HA . . 4.480 2.363 2.108 2.884 . 0 0 "[ . 1 . 2]" 1 738 1 61 LEU MD2 1 84 ALA MB . . 5.910 3.082 2.409 3.893 . 0 0 "[ . 1 . 2]" 1 739 1 61 LEU MD2 1 87 SER H . . 6.530 3.692 3.105 4.650 . 0 0 "[ . 1 . 2]" 1 740 1 61 LEU MD2 1 87 SER QB . . 5.230 2.238 1.948 3.635 . 0 0 "[ . 1 . 2]" 1 741 1 61 LEU HG 1 80 PHE HZ . . 3.920 3.422 2.556 4.017 0.097 7 0 "[ . 1 . 2]" 1 742 1 62 ILE H 1 62 ILE HB . . 2.520 2.565 2.410 2.600 0.080 3 0 "[ . 1 . 2]" 1 743 1 62 ILE H 1 62 ILE MD . . 4.670 2.281 1.550 3.098 . 0 0 "[ . 1 . 2]" 1 744 1 62 ILE H 1 62 ILE HG12 . . 3.110 2.312 1.685 3.214 0.104 7 0 "[ . 1 . 2]" 1 745 1 62 ILE H 1 62 ILE QG . . 2.910 1.915 1.679 2.611 . 0 0 "[ . 1 . 2]" 1 746 1 62 ILE H 1 62 ILE HG13 . . 3.110 2.833 2.063 3.205 0.095 13 0 "[ . 1 . 2]" 1 747 1 62 ILE H 1 63 THR H . . 2.930 2.779 2.580 2.914 . 0 0 "[ . 1 . 2]" 1 748 1 62 ILE H 1 64 LEU H . . 4.510 4.274 4.083 4.498 . 0 0 "[ . 1 . 2]" 1 749 1 62 ILE HA 1 62 ILE MD . . 4.450 2.934 2.224 3.711 . 0 0 "[ . 1 . 2]" 1 750 1 62 ILE HA 1 62 ILE QG . . 3.890 2.966 2.472 3.296 . 0 0 "[ . 1 . 2]" 1 751 1 62 ILE HA 1 63 THR H . . 3.500 3.573 3.558 3.585 0.085 7 0 "[ . 1 . 2]" 1 752 1 62 ILE HA 1 65 ALA H . . 3.580 3.558 3.308 3.659 0.079 20 0 "[ . 1 . 2]" 1 753 1 62 ILE HA 1 80 PHE QE . . 6.660 2.871 2.237 3.871 . 0 0 "[ . 1 . 2]" 1 754 1 62 ILE HA 1 80 PHE HZ . . 3.700 3.099 2.155 3.763 0.063 3 0 "[ . 1 . 2]" 1 755 1 62 ILE HB 1 63 THR H . . 2.680 2.562 2.332 2.745 0.065 10 0 "[ . 1 . 2]" 1 756 1 62 ILE MD 1 80 PHE HZ . . 4.730 2.867 1.981 4.043 . 0 0 "[ . 1 . 2]" 1 757 1 62 ILE MG 1 63 THR H . . 4.880 3.714 3.453 3.965 . 0 0 "[ . 1 . 2]" 1 758 1 62 ILE MG 1 66 GLU HG2 . . 5.850 3.739 2.555 4.799 . 0 0 "[ . 1 . 2]" 1 759 1 62 ILE MG 1 66 GLU QG . . 5.610 2.891 2.258 3.760 . 0 0 "[ . 1 . 2]" 1 760 1 62 ILE MG 1 66 GLU HG3 . . 5.850 3.101 2.513 4.801 . 0 0 "[ . 1 . 2]" 1 761 1 62 ILE MG 1 80 PHE QE . . 7.750 3.010 2.240 4.153 . 0 0 "[ . 1 . 2]" 1 762 1 62 ILE MG 1 80 PHE HZ . . 4.480 3.382 2.615 3.555 . 0 0 "[ . 1 . 2]" 1 763 1 63 THR H 1 63 THR HA . . 2.710 2.784 2.771 2.792 0.082 20 0 "[ . 1 . 2]" 1 764 1 63 THR H 1 63 THR HB . . 2.770 2.655 2.367 2.836 0.066 10 0 "[ . 1 . 2]" 1 765 1 63 THR H 1 64 LEU H . . 2.960 2.698 2.580 2.823 . 0 0 "[ . 1 . 2]" 1 766 1 63 THR HA 1 63 THR MG . . 3.640 2.338 2.249 2.526 . 0 0 "[ . 1 . 2]" 1 767 1 63 THR HA 1 64 LEU H . . 3.420 3.498 3.492 3.506 0.086 11 0 "[ . 1 . 2]" 1 768 1 63 THR HB 1 64 LEU H . . 3.050 2.533 2.321 2.863 . 0 0 "[ . 1 . 2]" 1 769 1 63 THR MG 1 64 LEU H . . 5.940 3.635 3.253 3.816 . 0 0 "[ . 1 . 2]" 1 770 1 64 LEU H 1 64 LEU HB2 . . 2.770 2.415 2.266 2.513 . 0 0 "[ . 1 . 2]" 1 771 1 64 LEU H 1 64 LEU HB3 . . 2.710 2.470 2.214 2.705 . 0 0 "[ . 1 . 2]" 1 772 1 64 LEU H 1 64 LEU MD2 . . 5.380 4.160 4.020 4.389 . 0 0 "[ . 1 . 2]" 1 773 1 64 LEU H 1 64 LEU HG . . 4.910 4.458 4.320 4.525 . 0 0 "[ . 1 . 2]" 1 774 1 64 LEU HA 1 64 LEU MD1 . . 3.860 2.232 2.102 2.387 . 0 0 "[ . 1 . 2]" 1 775 1 64 LEU HA 1 67 SER H . . 3.420 3.476 3.353 3.503 0.083 16 0 "[ . 1 . 2]" 1 776 1 64 LEU HB2 1 65 ALA H . . 3.550 3.629 3.611 3.637 0.087 14 0 "[ . 1 . 2]" 1 777 1 64 LEU HB2 1 83 LEU QD . . 7.630 4.386 3.992 5.002 . 0 0 "[ . 1 . 2]" 1 778 1 64 LEU HB3 1 65 ALA H . . 2.860 2.258 2.184 2.389 . 0 0 "[ . 1 . 2]" 1 779 1 64 LEU HB3 1 83 LEU QD . . 7.630 3.247 2.791 3.755 . 0 0 "[ . 1 . 2]" 1 780 1 64 LEU MD1 1 65 ALA H . . 6.530 4.395 4.172 4.719 . 0 0 "[ . 1 . 2]" 1 781 1 64 LEU MD2 1 65 ALA H . . 5.810 3.838 3.564 4.230 . 0 0 "[ . 1 . 2]" 1 782 1 64 LEU MD2 1 83 LEU MD1 . . 5.660 2.693 2.294 3.541 . 0 0 "[ . 1 . 2]" 1 783 1 64 LEU MD2 1 83 LEU QD . . 7.670 2.222 1.903 2.980 . 0 0 "[ . 1 . 2]" 1 784 1 65 ALA H 1 66 GLU H . . 2.830 2.837 2.685 2.902 0.072 11 0 "[ . 1 . 2]" 1 785 1 65 ALA H 1 67 SER H . . 4.010 4.057 3.910 4.093 0.083 3 0 "[ . 1 . 2]" 1 786 1 65 ALA H 1 83 LEU MD1 . . 5.750 3.223 2.898 3.585 . 0 0 "[ . 1 . 2]" 1 787 1 65 ALA HA 1 66 GLU H . . 3.580 3.589 3.548 3.615 0.035 1 0 "[ . 1 . 2]" 1 788 1 65 ALA HA 1 68 LEU H . . 3.730 3.565 3.287 3.688 . 0 0 "[ . 1 . 2]" 1 789 1 65 ALA HA 1 68 LEU MD1 . . 5.040 2.680 2.118 3.092 . 0 0 "[ . 1 . 2]" 1 790 1 65 ALA HA 1 74 LEU MD1 . . 4.760 2.356 2.110 2.594 . 0 0 "[ . 1 . 2]" 1 791 1 65 ALA HA 1 83 LEU MD1 . . 4.670 2.287 2.080 2.535 . 0 0 "[ . 1 . 2]" 1 792 1 65 ALA MB 1 80 PHE QE . . 7.720 2.430 2.189 2.808 . 0 0 "[ . 1 . 2]" 1 793 1 65 ALA MB 1 83 LEU MD1 . . 6.500 2.120 2.002 2.212 . 0 0 "[ . 1 . 2]" 1 794 1 66 GLU H 1 66 GLU HB2 . . 2.590 2.323 2.121 2.476 . 0 0 "[ . 1 . 2]" 1 795 1 66 GLU H 1 66 GLU QG . . 4.640 2.524 2.176 3.604 . 0 0 "[ . 1 . 2]" 1 796 1 66 GLU H 1 67 SER H . . 2.990 2.732 2.662 2.794 . 0 0 "[ . 1 . 2]" 1 797 1 66 GLU H 1 80 PHE QE . . 7.620 4.530 4.113 4.984 . 0 0 "[ . 1 . 2]" 1 798 1 66 GLU HA 1 66 GLU HB3 . . 3.020 2.575 2.467 2.744 . 0 0 "[ . 1 . 2]" 1 799 1 66 GLU HA 1 66 GLU HG2 . . 4.200 2.616 2.185 3.594 . 0 0 "[ . 1 . 2]" 1 800 1 66 GLU HA 1 66 GLU QG . . 3.890 2.451 2.129 2.898 . 0 0 "[ . 1 . 2]" 1 801 1 66 GLU HA 1 66 GLU HG3 . . 4.200 3.243 2.345 3.830 . 0 0 "[ . 1 . 2]" 1 802 1 66 GLU HA 1 67 SER H . . 3.500 3.565 3.522 3.577 0.077 14 0 "[ . 1 . 2]" 1 803 1 66 GLU HA 1 69 GLU H . . 3.360 3.286 2.949 3.439 0.079 10 0 "[ . 1 . 2]" 1 804 1 66 GLU HA 1 70 ARG H . . 4.820 4.084 3.821 4.404 . 0 0 "[ . 1 . 2]" 1 805 1 66 GLU HB2 1 67 SER H . . 3.080 2.937 2.567 3.159 0.079 11 0 "[ . 1 . 2]" 1 806 1 66 GLU QG 1 67 SER H . . 6.380 4.365 4.129 4.752 . 0 0 "[ . 1 . 2]" 1 807 1 67 SER H 1 67 SER HA . . 2.800 2.867 2.850 2.884 0.084 6 0 "[ . 1 . 2]" 1 808 1 67 SER H 1 67 SER HB2 . . 2.770 2.345 2.156 2.469 . 0 0 "[ . 1 . 2]" 1 809 1 67 SER H 1 67 SER HB3 . . 2.770 2.727 2.502 2.846 0.076 8 0 "[ . 1 . 2]" 1 810 1 67 SER H 1 68 LEU H . . 2.990 2.588 2.477 2.700 . 0 0 "[ . 1 . 2]" 1 811 1 67 SER H 1 68 LEU MD1 . . 6.430 5.031 4.648 5.247 . 0 0 "[ . 1 . 2]" 1 812 1 67 SER HA 1 67 SER HB2 . . 2.930 2.570 2.501 2.698 . 0 0 "[ . 1 . 2]" 1 813 1 67 SER HA 1 68 LEU H . . 3.500 3.557 3.521 3.576 0.076 20 0 "[ . 1 . 2]" 1 814 1 67 SER HA 1 70 ARG H . . 3.730 3.272 2.856 3.782 0.052 4 0 "[ . 1 . 2]" 1 815 1 67 SER HB3 1 68 LEU H . . 3.610 2.651 2.232 2.925 . 0 0 "[ . 1 . 2]" 1 816 1 68 LEU H 1 68 LEU HB2 . . 2.830 2.282 2.206 2.354 . 0 0 "[ . 1 . 2]" 1 817 1 68 LEU H 1 68 LEU MD1 . . 4.330 3.388 3.035 3.546 . 0 0 "[ . 1 . 2]" 1 818 1 68 LEU H 1 68 LEU MD2 . . 5.380 3.968 3.795 4.150 . 0 0 "[ . 1 . 2]" 1 819 1 68 LEU H 1 68 LEU HG . . 2.800 2.718 2.445 2.870 0.070 20 0 "[ . 1 . 2]" 1 820 1 68 LEU H 1 69 GLU H . . 3.110 2.803 2.654 2.983 . 0 0 "[ . 1 . 2]" 1 821 1 68 LEU HA 1 68 LEU MD2 . . 3.830 2.231 2.141 2.462 . 0 0 "[ . 1 . 2]" 1 822 1 68 LEU HA 1 68 LEU HG . . 4.070 2.661 2.267 2.864 . 0 0 "[ . 1 . 2]" 1 823 1 68 LEU HA 1 71 GLN H . . 3.700 3.278 3.016 3.554 . 0 0 "[ . 1 . 2]" 1 824 1 68 LEU HA 1 71 GLN QE . . 6.370 4.385 2.411 5.165 . 0 0 "[ . 1 . 2]" 1 825 1 68 LEU HA 1 73 GLN H . . 3.950 3.744 3.488 3.989 0.039 20 0 "[ . 1 . 2]" 1 826 1 68 LEU HB2 1 69 GLU H . . 2.990 2.833 2.683 2.971 . 0 0 "[ . 1 . 2]" 1 827 1 68 LEU HB2 1 74 LEU HA . . 5.500 3.307 3.032 3.824 . 0 0 "[ . 1 . 2]" 1 828 1 68 LEU HB3 1 69 GLU H . . 3.450 3.485 3.319 3.524 0.074 13 0 "[ . 1 . 2]" 1 829 1 68 LEU HB3 1 74 LEU HA . . 5.280 2.320 2.109 2.535 . 0 0 "[ . 1 . 2]" 1 830 1 68 LEU MD1 1 74 LEU HA . . 5.690 3.000 2.595 3.804 . 0 0 "[ . 1 . 2]" 1 831 1 68 LEU MD1 1 77 VAL MG2 . . 5.850 2.088 1.994 2.499 . 0 0 "[ . 1 . 2]" 1 832 1 68 LEU MD2 1 73 GLN HB2 . . 4.730 2.436 2.115 2.925 . 0 0 "[ . 1 . 2]" 1 833 1 69 GLU H 1 69 GLU QG . . 3.830 2.924 2.188 3.537 . 0 0 "[ . 1 . 2]" 1 834 1 69 GLU H 1 70 ARG H . . 3.140 2.799 2.697 2.959 . 0 0 "[ . 1 . 2]" 1 835 1 69 GLU H 1 74 LEU HB2 . . 5.500 2.928 2.541 3.415 . 0 0 "[ . 1 . 2]" 1 836 1 69 GLU H 1 74 LEU MD2 . . 6.530 3.618 3.065 4.989 . 0 0 "[ . 1 . 2]" 1 837 1 69 GLU HA 1 72 GLY H . . 2.800 2.872 2.800 2.894 0.094 8 0 "[ . 1 . 2]" 1 838 1 69 GLU HA 1 73 GLN H . . 3.360 3.303 2.948 3.436 0.076 4 0 "[ . 1 . 2]" 1 839 1 69 GLU HA 1 74 LEU H . . 3.140 2.852 2.399 3.164 0.024 1 0 "[ . 1 . 2]" 1 840 1 69 GLU HA 1 74 LEU HB2 . . 4.320 2.820 2.506 3.239 . 0 0 "[ . 1 . 2]" 1 841 1 69 GLU HA 1 74 LEU HB3 . . 4.790 3.226 2.839 3.616 . 0 0 "[ . 1 . 2]" 1 842 1 69 GLU HA 1 74 LEU MD2 . . 5.350 3.898 3.682 4.236 . 0 0 "[ . 1 . 2]" 1 843 1 69 GLU QG 1 70 ARG H . . 4.830 3.559 2.284 4.428 . 0 0 "[ . 1 . 2]" 1 844 1 69 GLU QG 1 74 LEU MD1 . . 7.400 4.079 2.584 5.474 . 0 0 "[ . 1 . 2]" 1 845 1 69 GLU QG 1 74 LEU MD2 . . 5.820 2.626 1.960 3.976 . 0 0 "[ . 1 . 2]" 1 846 1 70 ARG H 1 70 ARG QB . . 3.520 2.474 2.353 2.687 . 0 0 "[ . 1 . 2]" 1 847 1 70 ARG H 1 70 ARG HG2 . . 3.520 3.083 2.214 3.592 0.072 9 0 "[ . 1 . 2]" 1 848 1 70 ARG H 1 70 ARG HG3 . . 3.520 2.832 2.282 3.589 0.069 3 0 "[ . 1 . 2]" 1 849 1 70 ARG H 1 71 GLN H . . 3.080 2.710 2.498 2.824 . 0 0 "[ . 1 . 2]" 1 850 1 70 ARG H 1 72 GLY H . . 4.200 3.896 3.708 4.030 . 0 0 "[ . 1 . 2]" 1 851 1 70 ARG HA 1 71 GLN H . . 3.500 3.551 3.527 3.572 0.072 20 0 "[ . 1 . 2]" 1 852 1 70 ARG QB 1 71 GLN H . . 4.360 2.782 2.445 3.715 . 0 0 "[ . 1 . 2]" 1 853 1 71 GLN H 1 71 GLN HB2 . . 2.620 2.480 2.290 2.678 0.058 20 0 "[ . 1 . 2]" 1 854 1 71 GLN H 1 71 GLN HG2 . . 3.610 2.692 2.201 3.675 0.065 18 0 "[ . 1 . 2]" 1 855 1 71 GLN H 1 71 GLN QG . . 3.390 2.446 2.184 2.741 . 0 0 "[ . 1 . 2]" 1 856 1 71 GLN H 1 71 GLN HG3 . . 3.610 3.232 2.465 3.679 0.069 20 0 "[ . 1 . 2]" 1 857 1 71 GLN H 1 72 GLY H . . 2.900 2.688 2.550 2.807 . 0 0 "[ . 1 . 2]" 1 858 1 71 GLN H 1 73 GLN H . . 4.260 3.892 3.546 4.237 . 0 0 "[ . 1 . 2]" 1 859 1 71 GLN HA 1 71 GLN HG2 . . 4.010 2.755 2.337 3.412 . 0 0 "[ . 1 . 2]" 1 860 1 71 GLN HA 1 71 GLN QG . . 3.650 2.674 2.301 3.204 . 0 0 "[ . 1 . 2]" 1 861 1 71 GLN HA 1 71 GLN HG3 . . 4.010 3.692 3.109 3.893 . 0 0 "[ . 1 . 2]" 1 862 1 71 GLN HA 1 72 GLY H . . 3.520 3.489 3.340 3.586 0.066 8 0 "[ . 1 . 2]" 1 863 1 71 GLN HB2 1 72 GLY H . . 3.890 3.437 3.190 3.720 . 0 0 "[ . 1 . 2]" 1 864 1 71 GLN HB2 1 73 GLN H . . 4.320 3.010 2.526 3.473 . 0 0 "[ . 1 . 2]" 1 865 1 71 GLN HB3 1 73 GLN H . . 4.380 3.962 3.551 4.449 0.069 3 0 "[ . 1 . 2]" 1 866 1 71 GLN QG 1 72 GLY H . . 5.980 4.460 4.293 4.604 . 0 0 "[ . 1 . 2]" 1 867 1 73 GLN H 1 73 GLN HB2 . . 2.860 2.503 2.284 2.692 . 0 0 "[ . 1 . 2]" 1 868 1 73 GLN H 1 73 GLN QG . . 4.860 3.184 2.636 4.006 . 0 0 "[ . 1 . 2]" 1 869 1 73 GLN H 1 74 LEU H . . 2.990 2.219 1.902 2.433 . 0 0 "[ . 1 . 2]" 1 870 1 73 GLN HA 1 73 GLN HB3 . . 3.050 2.564 2.390 2.712 . 0 0 "[ . 1 . 2]" 1 871 1 73 GLN HA 1 73 GLN HG2 . . 4.260 2.766 2.295 3.627 . 0 0 "[ . 1 . 2]" 1 872 1 73 GLN HA 1 73 GLN HG3 . . 4.260 3.081 2.167 3.850 . 0 0 "[ . 1 . 2]" 1 873 1 73 GLN HA 1 75 ASP H . . 5.500 4.016 3.589 4.521 . 0 0 "[ . 1 . 2]" 1 874 1 73 GLN HA 1 76 SER QB . . 4.890 2.488 2.114 2.928 . 0 0 "[ . 1 . 2]" 1 875 1 73 GLN QG 1 74 LEU H . . 6.220 4.638 4.421 5.037 . 0 0 "[ . 1 . 2]" 1 876 1 74 LEU H 1 74 LEU HB2 . . 3.110 2.557 2.457 2.694 . 0 0 "[ . 1 . 2]" 1 877 1 74 LEU H 1 74 LEU HB3 . . 3.020 2.551 2.417 2.682 . 0 0 "[ . 1 . 2]" 1 878 1 74 LEU H 1 75 ASP H . . 3.730 2.744 2.518 3.038 . 0 0 "[ . 1 . 2]" 1 879 1 74 LEU HA 1 74 LEU MD1 . . 3.990 2.187 2.085 3.280 . 0 0 "[ . 1 . 2]" 1 880 1 74 LEU HA 1 74 LEU MD2 . . 4.390 3.773 3.636 3.802 . 0 0 "[ . 1 . 2]" 1 881 1 74 LEU HA 1 77 VAL H . . 3.760 3.582 3.354 3.803 0.043 1 0 "[ . 1 . 2]" 1 882 1 74 LEU HA 1 77 VAL MG2 . . 4.390 2.291 2.022 2.666 . 0 0 "[ . 1 . 2]" 1 883 1 74 LEU HB3 1 75 ASP H . . 3.700 2.641 2.444 2.900 . 0 0 "[ . 1 . 2]" 1 884 1 74 LEU MD1 1 79 GLY H . . 6.160 3.751 3.039 4.895 . 0 0 "[ . 1 . 2]" 1 885 1 74 LEU MD1 1 83 LEU MD1 . . 5.390 2.142 1.994 2.529 . 0 0 "[ . 1 . 2]" 1 886 1 74 LEU MD2 1 80 PHE HA . . 5.290 3.545 2.532 4.045 . 0 0 "[ . 1 . 2]" 1 887 1 74 LEU MD2 1 80 PHE HB2 . . 5.320 2.463 2.122 3.063 . 0 0 "[ . 1 . 2]" 1 888 1 74 LEU MD2 1 80 PHE HB3 . . 5.910 3.929 3.550 4.429 . 0 0 "[ . 1 . 2]" 1 889 1 74 LEU HG 1 79 GLY H . . 5.410 3.751 3.213 4.852 . 0 0 "[ . 1 . 2]" 1 890 1 74 LEU HG 1 79 GLY QA . . 5.170 2.381 2.016 3.527 . 0 0 "[ . 1 . 2]" 1 891 1 75 ASP HA 1 79 GLY H . . 3.110 2.820 2.175 3.169 0.059 6 0 "[ . 1 . 2]" 1 892 1 75 ASP HA 1 79 GLY QA . . 4.640 2.737 2.049 3.522 . 0 0 "[ . 1 . 2]" 1 893 1 76 SER HA 1 78 GLY H . . 3.980 3.863 3.577 4.057 0.077 18 0 "[ . 1 . 2]" 1 894 1 77 VAL H 1 77 VAL HB . . 3.760 3.736 3.590 3.831 0.071 12 0 "[ . 1 . 2]" 1 895 1 77 VAL H 1 77 VAL MG1 . . 4.200 2.571 2.232 2.867 . 0 0 "[ . 1 . 2]" 1 896 1 77 VAL H 1 77 VAL MG2 . . 3.890 2.256 2.012 2.572 . 0 0 "[ . 1 . 2]" 1 897 1 77 VAL H 1 78 GLY H . . 2.930 2.367 1.953 2.658 . 0 0 "[ . 1 . 2]" 1 898 1 77 VAL H 1 79 GLY H . . 3.420 3.289 2.904 3.493 0.073 19 0 "[ . 1 . 2]" 1 899 1 77 VAL HA 1 78 GLY H . . 3.300 3.335 3.144 3.379 0.079 18 0 "[ . 1 . 2]" 1 900 1 77 VAL MG2 1 78 GLY H . . 5.600 3.111 2.705 3.523 . 0 0 "[ . 1 . 2]" 1 901 1 77 VAL MG2 1 79 GLY H . . 4.730 2.738 2.353 3.472 . 0 0 "[ . 1 . 2]" 1 902 1 77 VAL MG2 1 83 LEU MD1 . . 5.850 2.760 2.191 3.785 . 0 0 "[ . 1 . 2]" 1 903 1 77 VAL MG2 1 83 LEU HG . . 5.810 2.845 2.499 3.879 . 0 0 "[ . 1 . 2]" 1 904 1 78 GLY H 1 79 GLY H . . 2.680 2.147 1.922 2.347 . 0 0 "[ . 1 . 2]" 1 905 1 78 GLY H 1 79 GLY QA . . 4.740 3.994 3.845 4.182 . 0 0 "[ . 1 . 2]" 1 906 1 79 GLY H 1 79 GLY HA2 . . 2.960 2.298 2.222 2.416 . 0 0 "[ . 1 . 2]" 1 907 1 79 GLY H 1 79 GLY HA3 . . 2.960 2.898 2.720 2.985 0.025 2 0 "[ . 1 . 2]" 1 908 1 79 GLY QA 1 82 TYR H . . 4.920 3.780 3.436 4.433 . 0 0 "[ . 1 . 2]" 1 909 1 80 PHE HA 1 83 LEU H . . 3.480 3.415 3.326 3.534 0.054 20 0 "[ . 1 . 2]" 1 910 1 80 PHE HA 1 83 LEU MD1 . . 4.880 2.523 2.232 3.192 . 0 0 "[ . 1 . 2]" 1 911 1 80 PHE QE 1 84 ALA MB . . 8.060 2.772 2.190 3.730 . 0 0 "[ . 1 . 2]" 1 912 1 81 ALA HA 1 84 ALA H . . 3.330 3.351 2.790 3.405 0.075 8 0 "[ . 1 . 2]" 1 913 1 81 ALA HA 1 84 ALA MB . . 4.760 2.432 2.067 2.715 . 0 0 "[ . 1 . 2]" 1 914 1 81 ALA HA 1 85 GLU H . . 4.540 4.004 3.750 4.515 . 0 0 "[ . 1 . 2]" 1 915 1 81 ALA MB 1 82 TYR H . . 4.260 2.746 2.261 3.267 . 0 0 "[ . 1 . 2]" 1 916 1 82 TYR H 1 82 TYR HB2 . . 2.800 2.470 2.194 2.750 . 0 0 "[ . 1 . 2]" 1 917 1 82 TYR H 1 82 TYR HB3 . . 2.830 2.606 2.349 2.851 0.021 10 0 "[ . 1 . 2]" 1 918 1 82 TYR H 1 83 LEU H . . 2.770 2.602 2.332 2.761 . 0 0 "[ . 1 . 2]" 1 919 1 82 TYR HA 1 85 GLU H . . 3.330 3.317 3.054 3.407 0.077 9 0 "[ . 1 . 2]" 1 920 1 82 TYR HA 1 85 GLU HB3 . . 3.480 2.711 2.144 3.164 . 0 0 "[ . 1 . 2]" 1 921 1 82 TYR HB2 1 83 LEU H . . 4.510 3.872 3.689 4.011 . 0 0 "[ . 1 . 2]" 1 922 1 82 TYR HB3 1 83 LEU H . . 3.420 2.705 2.428 3.005 . 0 0 "[ . 1 . 2]" 1 923 1 82 TYR QD 1 83 LEU H . . 6.000 3.906 2.921 4.603 . 0 0 "[ . 1 . 2]" 1 924 1 82 TYR QD 1 83 LEU MD2 . . 7.270 3.052 2.389 3.886 . 0 0 "[ . 1 . 2]" 1 925 1 82 TYR QD 1 86 LEU MD1 . . 8.670 2.898 2.295 4.239 . 0 0 "[ . 1 . 2]" 1 926 1 82 TYR QE 1 86 LEU MD1 . . 7.020 2.626 2.176 4.846 . 0 0 "[ . 1 . 2]" 1 927 1 82 TYR QE 1 86 LEU MD2 . . 6.990 3.150 2.509 3.982 . 0 0 "[ . 1 . 2]" 1 928 1 83 LEU H 1 83 LEU HB2 . . 2.930 2.618 2.485 2.771 . 0 0 "[ . 1 . 2]" 1 929 1 83 LEU H 1 83 LEU MD1 . . 5.380 3.635 3.511 3.761 . 0 0 "[ . 1 . 2]" 1 930 1 83 LEU H 1 83 LEU MD2 . . 5.290 3.265 3.058 3.540 . 0 0 "[ . 1 . 2]" 1 931 1 83 LEU H 1 83 LEU HG . . 2.930 2.240 2.076 2.478 . 0 0 "[ . 1 . 2]" 1 932 1 83 LEU H 1 84 ALA H . . 2.930 2.635 2.398 2.765 . 0 0 "[ . 1 . 2]" 1 933 1 83 LEU HA 1 83 LEU MD2 . . 3.950 2.210 2.120 2.379 . 0 0 "[ . 1 . 2]" 1 934 1 83 LEU HA 1 86 LEU H . . 3.640 3.366 3.082 3.563 . 0 0 "[ . 1 . 2]" 1 935 1 83 LEU HA 1 86 LEU MD1 . . 4.360 2.460 2.098 3.522 . 0 0 "[ . 1 . 2]" 1 936 1 83 LEU HA 1 87 SER H . . 4.040 4.045 3.818 4.105 0.065 20 0 "[ . 1 . 2]" 1 937 1 83 LEU HB2 1 84 ALA H . . 2.960 2.566 2.348 2.783 . 0 0 "[ . 1 . 2]" 1 938 1 84 ALA H 1 84 ALA MB . . 3.580 2.220 2.174 2.270 . 0 0 "[ . 1 . 2]" 1 939 1 84 ALA H 1 85 GLU H . . 2.960 2.686 2.500 2.760 . 0 0 "[ . 1 . 2]" 1 940 1 84 ALA HA 1 85 GLU H . . 3.480 3.546 3.494 3.559 0.079 7 0 "[ . 1 . 2]" 1 941 1 84 ALA HA 1 87 SER H . . 3.730 3.424 3.121 3.783 0.053 7 0 "[ . 1 . 2]" 1 942 1 84 ALA HA 1 87 SER QB . . 4.760 2.568 2.121 2.953 . 0 0 "[ . 1 . 2]" 1 943 1 84 ALA MB 1 85 GLU H . . 4.080 2.667 2.431 3.111 . 0 0 "[ . 1 . 2]" 1 944 1 84 ALA MB 1 88 LYS QE . . 7.340 3.308 2.009 4.631 . 0 0 "[ . 1 . 2]" 1 945 1 85 GLU H 1 85 GLU HB2 . . 2.590 2.478 2.155 2.659 0.069 6 0 "[ . 1 . 2]" 1 946 1 85 GLU H 1 86 LEU H . . 2.900 2.741 2.443 2.870 . 0 0 "[ . 1 . 2]" 1 947 1 85 GLU HA 1 85 GLU HG2 . . 4.070 3.507 2.467 4.046 . 0 0 "[ . 1 . 2]" 1 948 1 85 GLU HA 1 85 GLU QG . . 3.670 2.581 2.162 3.224 . 0 0 "[ . 1 . 2]" 1 949 1 85 GLU HA 1 85 GLU HG3 . . 4.070 2.679 2.214 3.388 . 0 0 "[ . 1 . 2]" 1 950 1 85 GLU HA 1 88 LYS H . . 3.640 3.506 3.141 3.716 0.076 9 0 "[ . 1 . 2]" 1 951 1 85 GLU HA 1 88 LYS QB . . 5.070 3.040 2.381 4.387 . 0 0 "[ . 1 . 2]" 1 952 1 85 GLU HA 1 88 LYS QD . . 6.070 3.963 2.393 5.363 . 0 0 "[ . 1 . 2]" 1 953 1 85 GLU HA 1 88 LYS QE . . 6.130 3.961 2.139 4.942 . 0 0 "[ . 1 . 2]" 1 954 1 85 GLU HB3 1 86 LEU H . . 3.050 2.558 2.238 2.938 . 0 0 "[ . 1 . 2]" 1 955 1 86 LEU H 1 86 LEU HB2 . . 2.930 2.529 2.261 2.818 . 0 0 "[ . 1 . 2]" 1 956 1 86 LEU H 1 86 LEU MD1 . . 5.470 3.554 2.187 4.106 . 0 0 "[ . 1 . 2]" 1 957 1 86 LEU H 1 86 LEU MD2 . . 5.380 3.431 2.534 4.076 . 0 0 "[ . 1 . 2]" 1 958 1 86 LEU H 1 86 LEU HG . . 2.830 2.433 2.054 2.912 0.082 8 0 "[ . 1 . 2]" 1 959 1 86 LEU H 1 87 SER H . . 2.990 2.818 2.660 2.945 . 0 0 "[ . 1 . 2]" 1 960 1 86 LEU HA 1 86 LEU MD2 . . 3.890 2.226 2.093 3.231 . 0 0 "[ . 1 . 2]" 1 961 1 86 LEU HA 1 87 SER H . . 3.500 3.559 3.545 3.569 0.069 10 0 "[ . 1 . 2]" 1 962 1 86 LEU HA 1 89 ASN H . . 4.230 3.412 2.962 3.959 . 0 0 "[ . 1 . 2]" 1 963 1 86 LEU HA 1 89 ASN HD21 . . 4.040 3.516 2.558 4.110 0.070 15 0 "[ . 1 . 2]" 1 964 1 86 LEU HA 1 89 ASN HD22 . . 5.190 4.719 2.593 5.263 0.073 10 0 "[ . 1 . 2]" 1 965 1 86 LEU HB2 1 87 SER H . . 2.990 2.486 2.321 2.754 . 0 0 "[ . 1 . 2]" 1 966 1 86 LEU MD1 1 87 SER H . . 6.530 4.375 4.081 4.619 . 0 0 "[ . 1 . 2]" 1 967 1 87 SER H 1 87 SER QB . . 3.800 2.127 2.030 2.213 . 0 0 "[ . 1 . 2]" 1 968 1 87 SER H 1 88 LYS H . . 2.740 2.794 2.683 2.821 0.081 9 0 "[ . 1 . 2]" 1 969 1 87 SER HA 1 89 ASN H . . 4.600 4.115 3.846 4.476 . 0 0 "[ . 1 . 2]" 1 970 1 87 SER QB 1 89 ASN H . . 6.190 4.646 4.421 5.096 . 0 0 "[ . 1 . 2]" 1 971 1 88 LYS H 1 88 LYS QB . . 3.830 2.397 2.105 2.894 . 0 0 "[ . 1 . 2]" 1 972 1 88 LYS HA 1 88 LYS HG2 . . 4.070 3.135 2.372 3.815 . 0 0 "[ . 1 . 2]" 1 973 1 88 LYS HA 1 88 LYS QG . . 3.850 2.480 2.255 3.343 . 0 0 "[ . 1 . 2]" 1 974 1 88 LYS HA 1 88 LYS HG3 . . 4.070 2.716 2.282 3.725 . 0 0 "[ . 1 . 2]" 1 975 1 88 LYS HA 1 89 ASN H . . 3.360 3.319 2.847 3.443 0.083 18 0 "[ . 1 . 2]" 1 976 1 88 LYS HA 1 90 THR H . . 3.610 3.456 3.054 3.681 0.071 5 0 "[ . 1 . 2]" 1 977 1 88 LYS QB 1 89 ASN H . . 4.390 3.384 2.773 3.917 . 0 0 "[ . 1 . 2]" 1 978 1 89 ASN H 1 89 ASN QB . . 3.770 2.435 2.230 2.875 . 0 0 "[ . 1 . 2]" 1 979 1 89 ASN H 1 90 THR H . . 3.080 2.803 2.288 3.134 0.054 20 0 "[ . 1 . 2]" 1 980 1 89 ASN HA 1 90 THR H . . 2.860 2.897 2.668 2.958 0.098 9 0 "[ . 1 . 2]" 1 981 1 90 THR H 1 90 THR HB . . 3.170 2.780 2.412 3.228 0.058 20 0 "[ . 1 . 2]" 1 982 1 90 THR H 1 91 PRO QD . . 6.380 4.147 3.843 4.374 . 0 0 "[ . 1 . 2]" 1 983 1 90 THR HB 1 92 SER H . . 4.570 3.788 2.720 4.634 0.064 20 0 "[ . 1 . 2]" 1 984 1 90 THR MG 1 91 PRO QD . . 5.980 2.531 2.060 4.251 . 0 0 "[ . 1 . 2]" 1 985 1 91 PRO HA 1 92 SER H . . 3.170 2.606 2.217 3.261 0.091 3 0 "[ . 1 . 2]" 1 986 1 91 PRO QB 1 99 TYR QE . . 7.130 4.481 2.665 5.193 . 0 0 "[ . 1 . 2]" 1 987 1 91 PRO HB2 1 99 TYR QE . . 7.380 4.941 2.724 5.682 . 0 0 "[ . 1 . 2]" 1 988 1 91 PRO HB3 1 99 TYR QE . . 7.380 5.192 3.783 6.040 . 0 0 "[ . 1 . 2]" 1 989 1 92 SER QB 1 94 ALA H . . 5.540 3.338 1.936 4.726 . 0 0 "[ . 1 . 2]" 1 990 1 93 ALA HA 1 96 ILE HB . . 3.360 2.883 2.201 3.417 0.057 19 0 "[ . 1 . 2]" 1 991 1 93 ALA HA 1 96 ILE MD . . 5.100 3.302 2.047 4.399 . 0 0 "[ . 1 . 2]" 1 992 1 93 ALA MB 1 96 ILE HB . . 4.790 3.001 2.225 3.940 . 0 0 "[ . 1 . 2]" 1 993 1 93 ALA MB 1 96 ILE MD . . 6.070 2.970 2.179 4.135 . 0 0 "[ . 1 . 2]" 1 994 1 93 ALA MB 1 96 ILE MG . . 6.630 3.043 2.249 4.272 . 0 0 "[ . 1 . 2]" 1 995 1 94 ALA MB 1 99 TYR QE . . 8.350 4.612 2.502 5.717 . 0 0 "[ . 1 . 2]" 1 996 1 95 ASN HA 1 96 ILE H . . 3.110 2.919 2.256 3.177 0.067 16 0 "[ . 1 . 2]" 1 997 1 95 ASN HA 1 97 SER H . . 4.880 3.881 3.349 4.250 . 0 0 "[ . 1 . 2]" 1 998 1 95 ASN HA 1 98 ALA H . . 4.110 3.485 3.105 3.818 . 0 0 "[ . 1 . 2]" 1 999 1 95 ASN HA 1 98 ALA MB . . 4.610 3.442 3.029 3.754 . 0 0 "[ . 1 . 2]" 1 1000 1 95 ASN QB 1 98 ALA MB . . 5.240 2.462 2.024 3.779 . 0 0 "[ . 1 . 2]" 1 1001 1 95 ASN HB2 1 98 ALA MB . . 5.660 3.740 2.796 4.543 . 0 0 "[ . 1 . 2]" 1 1002 1 95 ASN HB2 1 99 TYR QE . . 7.070 3.594 2.473 5.864 . 0 0 "[ . 1 . 2]" 1 1003 1 95 ASN HB3 1 98 ALA MB . . 5.660 2.516 2.056 4.146 . 0 0 "[ . 1 . 2]" 1 1004 1 95 ASN HB3 1 99 TYR QE . . 7.070 4.020 2.421 5.801 . 0 0 "[ . 1 . 2]" 1 1005 1 96 ILE H 1 96 ILE HB . . 2.770 2.239 2.102 2.386 . 0 0 "[ . 1 . 2]" 1 1006 1 96 ILE H 1 96 ILE HG12 . . 4.720 4.358 2.241 4.627 . 0 0 "[ . 1 . 2]" 1 1007 1 96 ILE H 1 96 ILE QG . . 4.410 3.734 2.219 4.047 . 0 0 "[ . 1 . 2]" 1 1008 1 96 ILE H 1 96 ILE HG13 . . 4.720 4.131 2.582 4.559 . 0 0 "[ . 1 . 2]" 1 1009 1 96 ILE H 1 96 ILE MG . . 4.420 2.522 2.134 3.770 . 0 0 "[ . 1 . 2]" 1 1010 1 96 ILE H 1 97 SER H . . 3.110 2.768 2.535 3.050 . 0 0 "[ . 1 . 2]" 1 1011 1 96 ILE HA 1 96 ILE MD . . 4.570 3.458 2.093 3.870 . 0 0 "[ . 1 . 2]" 1 1012 1 96 ILE HA 1 96 ILE HG12 . . 3.830 2.879 2.120 3.771 . 0 0 "[ . 1 . 2]" 1 1013 1 96 ILE HA 1 96 ILE QG . . 3.540 2.328 2.041 3.028 . 0 0 "[ . 1 . 2]" 1 1014 1 96 ILE HA 1 96 ILE HG13 . . 3.830 2.566 2.102 3.744 . 0 0 "[ . 1 . 2]" 1 1015 1 96 ILE HA 1 98 ALA H . . 4.140 4.171 3.965 4.215 0.075 3 0 "[ . 1 . 2]" 1 1016 1 96 ILE HA 1 99 TYR H . . 3.300 3.244 2.909 3.380 0.080 8 0 "[ . 1 . 2]" 1 1017 1 96 ILE HA 1 99 TYR HB2 . . 3.730 2.629 1.968 3.116 . 0 0 "[ . 1 . 2]" 1 1018 1 96 ILE HA 1 99 TYR QD . . 5.440 2.474 2.020 3.997 . 0 0 "[ . 1 . 2]" 1 1019 1 96 ILE HA 1 100 ALA H . . 3.920 3.944 3.713 3.996 0.076 6 0 "[ . 1 . 2]" 1 1020 1 96 ILE HB 1 97 SER H . . 3.480 3.527 2.815 3.580 0.100 14 0 "[ . 1 . 2]" 1 1021 1 96 ILE QG 1 97 SER H . . 6.380 3.900 3.476 4.560 . 0 0 "[ . 1 . 2]" 1 1022 1 96 ILE MG 1 97 SER H . . 4.170 2.079 1.816 3.348 . 0 0 "[ . 1 . 2]" 1 1023 1 96 ILE MG 1 99 TYR QD . . 8.050 5.040 4.454 5.905 . 0 0 "[ . 1 . 2]" 1 1024 1 97 SER H 1 97 SER QB . . 3.520 2.491 2.139 2.861 . 0 0 "[ . 1 . 2]" 1 1025 1 97 SER H 1 98 ALA H . . 2.930 2.811 2.699 2.971 0.041 10 0 "[ . 1 . 2]" 1 1026 1 97 SER HA 1 98 ALA H . . 3.420 3.498 3.488 3.506 0.086 15 0 "[ . 1 . 2]" 1 1027 1 97 SER HA 1 100 ALA H . . 3.480 3.471 3.161 3.559 0.079 5 0 "[ . 1 . 2]" 1 1028 1 97 SER HA 1 100 ALA MB . . 4.790 2.607 2.307 2.839 . 0 0 "[ . 1 . 2]" 1 1029 1 97 SER QB 1 98 ALA H . . 4.210 2.661 2.350 2.973 . 0 0 "[ . 1 . 2]" 1 1030 1 98 ALA H 1 98 ALA HA . . 2.930 2.911 2.862 2.950 0.020 11 0 "[ . 1 . 2]" 1 1031 1 98 ALA H 1 98 ALA MB . . 3.580 2.294 2.195 2.365 . 0 0 "[ . 1 . 2]" 1 1032 1 98 ALA H 1 99 TYR H . . 2.860 2.570 2.391 2.777 . 0 0 "[ . 1 . 2]" 1 1033 1 98 ALA H 1 100 ALA H . . 4.510 4.050 3.792 4.247 . 0 0 "[ . 1 . 2]" 1 1034 1 98 ALA HA 1 99 TYR H . . 3.610 3.605 3.544 3.653 0.043 5 0 "[ . 1 . 2]" 1 1035 1 98 ALA HA 1 101 ASP H . . 3.390 3.315 2.998 3.459 0.069 13 0 "[ . 1 . 2]" 1 1036 1 98 ALA HA 1 101 ASP HB2 . . 3.550 2.569 2.193 3.368 . 0 0 "[ . 1 . 2]" 1 1037 1 98 ALA MB 1 99 TYR H . . 4.300 2.721 2.513 2.960 . 0 0 "[ . 1 . 2]" 1 1038 1 98 ALA MB 1 99 TYR QD . . 8.670 3.983 2.890 4.665 . 0 0 "[ . 1 . 2]" 1 1039 1 98 ALA MB 1 99 TYR QE . . 8.660 4.800 3.718 5.540 . 0 0 "[ . 1 . 2]" 1 1040 1 99 TYR H 1 99 TYR HB2 . . 2.830 2.382 2.250 2.650 . 0 0 "[ . 1 . 2]" 1 1041 1 99 TYR H 1 99 TYR HB3 . . 3.480 3.548 3.522 3.563 0.083 9 0 "[ . 1 . 2]" 1 1042 1 99 TYR H 1 100 ALA H . . 2.960 2.640 2.452 2.791 . 0 0 "[ . 1 . 2]" 1 1043 1 99 TYR HA 1 102 ILE H . . 3.520 3.367 3.089 3.578 0.058 13 0 "[ . 1 . 2]" 1 1044 1 99 TYR HA 1 102 ILE HB . . 3.550 2.884 2.144 3.626 0.076 2 0 "[ . 1 . 2]" 1 1045 1 99 TYR HA 1 102 ILE MD . . 4.390 2.374 2.119 2.981 . 0 0 "[ . 1 . 2]" 1 1046 1 99 TYR HA 1 103 VAL H . . 4.630 4.348 4.047 4.668 0.038 3 0 "[ . 1 . 2]" 1 1047 1 99 TYR HB2 1 100 ALA H . . 3.140 2.626 2.309 2.783 . 0 0 "[ . 1 . 2]" 1 1048 1 99 TYR HB3 1 100 ALA H . . 3.520 3.483 3.234 3.589 0.069 13 0 "[ . 1 . 2]" 1 1049 1 99 TYR QD 1 102 ILE MD . . 6.590 2.941 2.110 3.986 . 0 0 "[ . 1 . 2]" 1 1050 1 99 TYR QE 1 102 ILE MD . . 7.570 4.114 3.182 4.924 . 0 0 "[ . 1 . 2]" 1 1051 1 100 ALA H 1 101 ASP H . . 2.900 2.746 2.643 2.903 0.003 8 0 "[ . 1 . 2]" 1 1052 1 100 ALA HA 1 103 VAL H . . 3.170 3.138 2.958 3.240 0.070 8 0 "[ . 1 . 2]" 1 1053 1 100 ALA HA 1 103 VAL HB . . 3.420 2.638 2.326 2.909 . 0 0 "[ . 1 . 2]" 1 1054 1 100 ALA HA 1 103 VAL MG2 . . 4.140 2.736 2.170 3.146 . 0 0 "[ . 1 . 2]" 1 1055 1 100 ALA HA 1 104 ARG H . . 3.860 3.901 3.777 3.931 0.071 4 0 "[ . 1 . 2]" 1 1056 1 100 ALA MB 1 101 ASP H . . 4.200 2.663 2.469 2.793 . 0 0 "[ . 1 . 2]" 1 1057 1 101 ASP H 1 101 ASP HB2 . . 2.620 2.264 2.073 2.550 . 0 0 "[ . 1 . 2]" 1 1058 1 101 ASP H 1 102 ILE H . . 3.140 2.753 2.633 2.894 . 0 0 "[ . 1 . 2]" 1 1059 1 101 ASP HA 1 104 ARG H . . 3.580 3.478 3.101 3.645 0.065 7 0 "[ . 1 . 2]" 1 1060 1 101 ASP HA 1 105 GLU H . . 4.660 3.907 3.546 4.270 . 0 0 "[ . 1 . 2]" 1 1061 1 101 ASP HB2 1 102 ILE H . . 3.640 3.278 2.663 3.726 0.086 3 0 "[ . 1 . 2]" 1 1062 1 101 ASP HB3 1 102 ILE H . . 4.230 3.109 2.486 3.820 . 0 0 "[ . 1 . 2]" 1 1063 1 102 ILE H 1 102 ILE HB . . 2.680 2.463 2.104 2.741 0.061 3 0 "[ . 1 . 2]" 1 1064 1 102 ILE H 1 102 ILE HG12 . . 4.510 3.739 3.228 4.222 . 0 0 "[ . 1 . 2]" 1 1065 1 102 ILE H 1 102 ILE HG13 . . 3.170 2.420 2.137 3.055 . 0 0 "[ . 1 . 2]" 1 1066 1 102 ILE H 1 103 VAL H . . 2.960 2.725 2.375 2.877 . 0 0 "[ . 1 . 2]" 1 1067 1 102 ILE HA 1 105 GLU H . . 3.730 3.380 3.043 3.793 0.063 15 0 "[ . 1 . 2]" 1 1068 1 102 ILE HB 1 103 VAL H . . 3.080 2.730 2.351 3.041 . 0 0 "[ . 1 . 2]" 1 1069 1 102 ILE HG12 1 103 VAL H . . 5.500 5.148 4.783 5.313 . 0 0 "[ . 1 . 2]" 1 1070 1 102 ILE MG 1 103 VAL H . . 4.820 3.326 2.711 3.669 . 0 0 "[ . 1 . 2]" 1 1071 1 102 ILE MG 1 106 ARG HG2 . . 4.730 2.813 2.426 3.394 . 0 0 "[ . 1 . 2]" 1 1072 1 102 ILE MG 1 106 ARG QG . . 4.460 2.639 2.247 3.183 . 0 0 "[ . 1 . 2]" 1 1073 1 102 ILE MG 1 106 ARG HG3 . . 4.730 3.344 2.352 3.948 . 0 0 "[ . 1 . 2]" 1 1074 1 103 VAL H 1 103 VAL HB . . 2.740 2.535 2.317 2.714 . 0 0 "[ . 1 . 2]" 1 1075 1 103 VAL H 1 103 VAL MG2 . . 3.640 2.151 1.865 2.371 . 0 0 "[ . 1 . 2]" 1 1076 1 103 VAL H 1 104 ARG H . . 3.110 2.812 2.673 3.018 . 0 0 "[ . 1 . 2]" 1 1077 1 103 VAL HA 1 106 ARG H . . 4.140 3.556 3.129 4.052 . 0 0 "[ . 1 . 2]" 1 1078 1 103 VAL HB 1 104 ARG H . . 2.550 2.576 2.452 2.623 0.073 7 0 "[ . 1 . 2]" 1 1079 1 103 VAL MG1 1 104 ARG H . . 5.880 3.417 2.955 3.630 . 0 0 "[ . 1 . 2]" 1 1080 1 103 VAL MG1 1 104 ARG HA . . 5.260 3.628 2.996 3.944 . 0 0 "[ . 1 . 2]" 1 1081 1 103 VAL MG1 1 107 ALA MB . . 7.560 3.427 3.129 3.722 . 0 0 "[ . 1 . 2]" 1 1082 1 103 VAL MG2 1 104 ARG H . . 6.530 3.884 3.681 4.057 . 0 0 "[ . 1 . 2]" 1 1083 1 104 ARG H 1 104 ARG HB2 . . 2.830 2.466 2.317 2.607 . 0 0 "[ . 1 . 2]" 1 1084 1 104 ARG H 1 104 ARG HB3 . . 2.990 2.610 2.287 2.925 . 0 0 "[ . 1 . 2]" 1 1085 1 104 ARG H 1 105 GLU H . . 3.080 2.880 2.780 2.994 . 0 0 "[ . 1 . 2]" 1 1086 1 104 ARG HA 1 104 ARG HD2 . . 4.510 3.527 2.068 4.585 0.075 8 0 "[ . 1 . 2]" 1 1087 1 104 ARG HA 1 104 ARG HD3 . . 4.510 3.601 2.334 4.581 0.071 12 0 "[ . 1 . 2]" 1 1088 1 104 ARG HA 1 107 ALA H . . 4.040 3.346 3.066 3.779 . 0 0 "[ . 1 . 2]" 1 1089 1 104 ARG HA 1 107 ALA MB . . 4.480 2.555 2.327 2.799 . 0 0 "[ . 1 . 2]" 1 1090 1 104 ARG HB3 1 105 GLU H . . 3.140 2.609 2.301 2.913 . 0 0 "[ . 1 . 2]" 1 1091 1 104 ARG QD 1 108 VAL MG2 . . 5.150 2.855 2.003 3.868 . 0 0 "[ . 1 . 2]" 1 1092 1 104 ARG HD2 1 108 VAL MG2 . . 5.380 3.401 2.179 4.552 . 0 0 "[ . 1 . 2]" 1 1093 1 104 ARG HD3 1 108 VAL MG2 . . 5.380 3.544 2.198 4.440 . 0 0 "[ . 1 . 2]" 1 1094 1 104 ARG QG 1 108 VAL MG2 . . 5.700 2.642 2.168 3.590 . 0 0 "[ . 1 . 2]" 1 1095 1 105 GLU H 1 105 GLU HB2 . . 2.520 2.244 2.089 2.427 . 0 0 "[ . 1 . 2]" 1 1096 1 105 GLU H 1 105 GLU HG2 . . 5.340 4.552 4.439 4.655 . 0 0 "[ . 1 . 2]" 1 1097 1 105 GLU H 1 105 GLU QG . . 4.920 3.968 3.770 4.086 . 0 0 "[ . 1 . 2]" 1 1098 1 105 GLU H 1 105 GLU HG3 . . 5.340 4.375 4.034 4.559 . 0 0 "[ . 1 . 2]" 1 1099 1 105 GLU H 1 106 ARG H . . 2.800 2.771 2.624 2.870 0.070 12 0 "[ . 1 . 2]" 1 1100 1 105 GLU HA 1 105 GLU HG2 . . 3.730 3.264 2.389 3.794 0.064 4 0 "[ . 1 . 2]" 1 1101 1 105 GLU HA 1 105 GLU QG . . 3.330 2.430 2.186 2.882 . 0 0 "[ . 1 . 2]" 1 1102 1 105 GLU HA 1 105 GLU HG3 . . 3.730 2.572 2.277 3.160 . 0 0 "[ . 1 . 2]" 1 1103 1 105 GLU HA 1 108 VAL H . . 3.390 3.376 2.966 3.461 0.071 4 0 "[ . 1 . 2]" 1 1104 1 105 GLU HA 1 108 VAL HB . . 3.270 2.592 2.082 3.021 . 0 0 "[ . 1 . 2]" 1 1105 1 105 GLU HA 1 108 VAL MG2 . . 4.420 3.251 2.524 3.641 . 0 0 "[ . 1 . 2]" 1 1106 1 105 GLU HB2 1 106 ARG H . . 3.500 3.564 3.324 3.591 0.091 9 0 "[ . 1 . 2]" 1 1107 1 105 GLU HB3 1 106 ARG H . . 3.500 2.490 2.180 2.880 . 0 0 "[ . 1 . 2]" 1 1108 1 106 ARG H 1 106 ARG HB2 . . 3.140 2.603 2.291 2.838 . 0 0 "[ . 1 . 2]" 1 1109 1 106 ARG H 1 106 ARG HB3 . . 4.110 3.695 3.581 3.801 . 0 0 "[ . 1 . 2]" 1 1110 1 106 ARG H 1 106 ARG QG . . 4.180 2.472 2.200 3.679 . 0 0 "[ . 1 . 2]" 1 1111 1 106 ARG H 1 107 ALA H . . 3.140 2.756 2.591 2.876 . 0 0 "[ . 1 . 2]" 1 1112 1 106 ARG HA 1 106 ARG HD2 . . 4.290 3.347 2.398 4.053 . 0 0 "[ . 1 . 2]" 1 1113 1 106 ARG HA 1 106 ARG QD . . 4.070 2.303 2.014 3.259 . 0 0 "[ . 1 . 2]" 1 1114 1 106 ARG HA 1 106 ARG HD3 . . 4.290 2.426 2.026 3.993 . 0 0 "[ . 1 . 2]" 1 1115 1 106 ARG HA 1 107 ALA H . . 3.580 3.575 3.510 3.609 0.029 2 0 "[ . 1 . 2]" 1 1116 1 106 ARG HA 1 109 VAL H . . 3.610 3.295 2.806 3.636 0.026 14 0 "[ . 1 . 2]" 1 1117 1 106 ARG HA 1 109 VAL HB . . 3.390 2.433 2.044 2.821 . 0 0 "[ . 1 . 2]" 1 1118 1 106 ARG HA 1 109 VAL MG2 . . 4.330 3.217 2.464 3.578 . 0 0 "[ . 1 . 2]" 1 1119 1 106 ARG HB2 1 107 ALA H . . 4.820 2.907 2.605 3.313 . 0 0 "[ . 1 . 2]" 1 1120 1 106 ARG HB3 1 107 ALA H . . 4.630 3.829 3.523 4.263 . 0 0 "[ . 1 . 2]" 1 1121 1 107 ALA H 1 108 VAL H . . 2.930 2.684 2.448 2.821 . 0 0 "[ . 1 . 2]" 1 1122 1 107 ALA HA 1 110 ARG H . . 3.450 3.133 2.827 3.337 . 0 0 "[ . 1 . 2]" 1 1123 1 107 ALA HA 1 110 ARG HB2 . . 3.730 2.943 2.341 3.791 0.061 7 0 "[ . 1 . 2]" 1 1124 1 107 ALA HA 1 110 ARG QB . . 3.530 2.334 2.107 2.789 . 0 0 "[ . 1 . 2]" 1 1125 1 107 ALA HA 1 110 ARG HB3 . . 3.730 2.562 2.136 3.135 . 0 0 "[ . 1 . 2]" 1 1126 1 107 ALA MB 1 108 VAL H . . 4.390 2.602 2.380 2.849 . 0 0 "[ . 1 . 2]" 1 1127 1 107 ALA MB 1 108 VAL MG2 . . 7.560 3.242 3.033 3.551 . 0 0 "[ . 1 . 2]" 1 1128 1 108 VAL H 1 108 VAL HB . . 2.620 2.366 2.235 2.548 . 0 0 "[ . 1 . 2]" 1 1129 1 108 VAL H 1 108 VAL MG2 . . 3.890 2.289 2.202 2.475 . 0 0 "[ . 1 . 2]" 1 1130 1 108 VAL H 1 109 VAL H . . 2.960 2.751 2.561 2.926 . 0 0 "[ . 1 . 2]" 1 1131 1 108 VAL HA 1 108 VAL MG2 . . 3.740 2.329 2.184 2.477 . 0 0 "[ . 1 . 2]" 1 1132 1 108 VAL HA 1 109 VAL H . . 3.520 3.584 3.565 3.594 0.074 17 0 "[ . 1 . 2]" 1 1133 1 108 VAL HA 1 111 GLU H . . 3.580 3.357 2.934 3.662 0.082 20 0 "[ . 1 . 2]" 1 1134 1 108 VAL HB 1 109 VAL H . . 2.900 2.742 2.465 2.970 0.070 16 0 "[ . 1 . 2]" 1 1135 1 109 VAL H 1 109 VAL HB . . 2.800 2.378 2.226 2.595 . 0 0 "[ . 1 . 2]" 1 1136 1 109 VAL H 1 109 VAL MG1 . . 4.730 3.763 3.681 3.821 . 0 0 "[ . 1 . 2]" 1 1137 1 109 VAL H 1 109 VAL MG2 . . 3.860 2.292 2.109 2.593 . 0 0 "[ . 1 . 2]" 1 1138 1 109 VAL H 1 110 ARG H . . 3.210 2.730 2.651 2.818 . 0 0 "[ . 1 . 2]" 1 1139 1 109 VAL HA 1 112 MET H . . 3.860 3.359 3.009 3.662 . 0 0 "[ . 1 . 2]" 1 1140 1 109 VAL HA 1 112 MET QB . . 5.040 2.809 2.097 4.173 . 0 0 "[ . 1 . 2]" 1 1141 1 109 VAL HB 1 110 ARG H . . 3.020 2.988 2.757 3.099 0.079 17 0 "[ . 1 . 2]" 1 1142 1 109 VAL MG1 1 110 ARG H . . 5.810 3.584 3.275 3.880 . 0 0 "[ . 1 . 2]" 1 1143 1 109 VAL MG2 1 110 ARG H . . 6.340 4.142 4.067 4.243 . 0 0 "[ . 1 . 2]" 1 1144 1 110 ARG H 1 110 ARG HB2 . . 3.020 2.513 2.149 2.873 . 0 0 "[ . 1 . 2]" 1 1145 1 110 ARG H 1 110 ARG HB3 . . 3.020 2.593 2.237 3.070 0.050 10 0 "[ . 1 . 2]" 1 1146 1 110 ARG H 1 111 GLU H . . 2.800 2.703 2.530 2.866 0.066 20 0 "[ . 1 . 2]" 1 1147 1 110 ARG HA 1 111 GLU H . . 3.420 3.497 3.469 3.510 0.090 12 0 "[ . 1 . 2]" 1 1148 1 110 ARG HA 1 113 ILE H . . 4.540 4.255 3.429 4.624 0.084 7 0 "[ . 1 . 2]" 1 1149 1 110 ARG QG 1 111 GLU H . . 6.040 4.147 3.417 4.516 . 0 0 "[ . 1 . 2]" 1 1150 1 111 GLU H 1 111 GLU HB3 . . 2.830 2.568 2.203 2.909 0.079 14 0 "[ . 1 . 2]" 1 1151 1 111 GLU H 1 111 GLU HG2 . . 5.040 2.859 1.970 4.380 . 0 0 "[ . 1 . 2]" 1 1152 1 111 GLU H 1 111 GLU QG . . 4.820 2.576 1.953 3.395 . 0 0 "[ . 1 . 2]" 1 1153 1 111 GLU H 1 111 GLU HG3 . . 5.040 3.433 2.588 4.333 . 0 0 "[ . 1 . 2]" 1 1154 1 111 GLU HA 1 111 GLU HB3 . . 2.650 2.510 2.337 2.744 0.094 15 0 "[ . 1 . 2]" 1 1155 1 111 GLU HA 1 112 MET H . . 3.500 3.513 3.367 3.567 0.067 19 0 "[ . 1 . 2]" 1 1156 1 111 GLU HB3 1 112 MET H . . 3.860 3.835 3.115 3.955 0.095 3 0 "[ . 1 . 2]" 1 1157 1 112 MET H 1 112 MET QB . . 3.900 2.396 1.962 2.587 . 0 0 "[ . 1 . 2]" 1 1158 1 112 MET H 1 112 MET HG2 . . 4.690 3.488 2.085 4.421 . 0 0 "[ . 1 . 2]" 1 1159 1 112 MET H 1 112 MET QG . . 4.120 2.686 2.072 3.795 . 0 0 "[ . 1 . 2]" 1 1160 1 112 MET H 1 112 MET HG3 . . 4.690 3.069 2.321 4.159 . 0 0 "[ . 1 . 2]" 1 1161 1 112 MET HA 1 113 ILE H . . 3.330 2.942 2.395 3.396 0.066 20 0 "[ . 1 . 2]" 1 1162 1 112 MET QB 1 113 ILE HA . . 5.510 4.683 4.168 5.009 . 0 0 "[ . 1 . 2]" 1 1163 1 113 ILE H 1 113 ILE HB . . 3.550 3.086 2.216 3.628 0.078 8 0 "[ . 1 . 2]" 1 1164 1 113 ILE H 1 113 ILE HG12 . . 4.200 2.851 1.921 4.253 0.053 3 0 "[ . 1 . 2]" 1 1165 1 113 ILE H 1 113 ILE QG . . 3.790 2.401 1.772 3.182 . 0 0 "[ . 1 . 2]" 1 1166 1 113 ILE H 1 113 ILE HG13 . . 4.200 3.270 1.788 4.265 0.065 16 0 "[ . 1 . 2]" 1 1167 1 113 ILE HA 1 113 ILE HB . . 2.990 2.889 2.406 3.047 0.057 7 0 "[ . 1 . 2]" 1 1168 1 113 ILE HB 1 114 SER H . . 4.570 3.794 2.316 4.573 0.003 16 0 "[ . 1 . 2]" 1 1169 1 113 ILE QG 1 114 SER H . . 6.380 4.194 2.467 4.800 . 0 0 "[ . 1 . 2]" 1 1170 1 113 ILE MG 1 114 SER H . . 6.250 3.520 2.329 4.260 . 0 0 "[ . 1 . 2]" 1 stop_ save_
Contact the webmaster for help, if required. Tuesday, May 14, 2024 5:41:25 PM GMT (wattos1)