NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
517683 | 2rrf | 11251 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rrf 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 2159 _Distance_constraint_stats_list.Viol_count 419 _Distance_constraint_stats_list.Viol_total 132.972 _Distance_constraint_stats_list.Viol_max 0.262 _Distance_constraint_stats_list.Viol_rms 0.0035 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0002 _Distance_constraint_stats_list.Viol_average_violations_only 0.0159 _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 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 8 ALA 0.014 0.014 10 0 "[ . 1 . 2]" 1 9 GLU 0.242 0.086 10 0 "[ . 1 . 2]" 1 10 PHE 0.455 0.262 20 0 "[ . 1 . 2]" 1 11 TYR 0.042 0.038 16 0 "[ . 1 . 2]" 1 12 ASP 0.021 0.010 18 0 "[ . 1 . 2]" 1 13 LYS 0.082 0.065 10 0 "[ . 1 . 2]" 1 14 GLN 0.220 0.065 10 0 "[ . 1 . 2]" 1 15 LEU 0.103 0.053 10 0 "[ . 1 . 2]" 1 16 LYS 0.236 0.054 15 0 "[ . 1 . 2]" 1 17 VAL 0.072 0.054 15 0 "[ . 1 . 2]" 1 18 LEU 0.024 0.008 8 0 "[ . 1 . 2]" 1 19 LEU 0.008 0.005 17 0 "[ . 1 . 2]" 1 20 SER 0.012 0.004 18 0 "[ . 1 . 2]" 1 21 GLY 0.003 0.003 18 0 "[ . 1 . 2]" 1 22 ALA 0.004 0.002 15 0 "[ . 1 . 2]" 1 23 THR 0.005 0.005 6 0 "[ . 1 . 2]" 1 24 PHE 0.009 0.005 16 0 "[ . 1 . 2]" 1 25 LEU 0.118 0.034 15 0 "[ . 1 . 2]" 1 26 VAL 0.016 0.008 18 0 "[ . 1 . 2]" 1 27 THR 0.015 0.009 15 0 "[ . 1 . 2]" 1 28 PHE 0.013 0.008 17 0 "[ . 1 . 2]" 1 29 GLY 0.001 0.001 3 0 "[ . 1 . 2]" 1 30 ASN 0.000 0.000 . 0 "[ . 1 . 2]" 1 31 SER 0.269 0.154 17 0 "[ . 1 . 2]" 1 32 GLU 0.182 0.154 17 0 "[ . 1 . 2]" 1 33 LYS 0.205 0.103 17 0 "[ . 1 . 2]" 1 34 PRO 0.076 0.034 15 0 "[ . 1 . 2]" 1 35 GLU 0.061 0.028 9 0 "[ . 1 . 2]" 1 36 THR 0.045 0.028 9 0 "[ . 1 . 2]" 1 37 MET 0.022 0.008 8 0 "[ . 1 . 2]" 1 38 THR 0.002 0.002 19 0 "[ . 1 . 2]" 1 39 CYS 0.003 0.002 19 0 "[ . 1 . 2]" 1 40 ARG 0.003 0.003 13 0 "[ . 1 . 2]" 1 41 LEU 0.168 0.032 14 0 "[ . 1 . 2]" 1 42 SER 0.020 0.007 18 0 "[ . 1 . 2]" 1 43 ASN 0.000 0.000 . 0 "[ . 1 . 2]" 1 44 ASN 0.000 0.000 . 0 "[ . 1 . 2]" 1 45 GLN 0.205 0.040 13 0 "[ . 1 . 2]" 1 46 ARG 0.536 0.219 14 0 "[ . 1 . 2]" 1 47 TYR 0.093 0.040 13 0 "[ . 1 . 2]" 1 48 LEU 0.026 0.010 13 0 "[ . 1 . 2]" 1 49 PHE 0.065 0.016 18 0 "[ . 1 . 2]" 1 50 LEU 0.005 0.002 7 0 "[ . 1 . 2]" 1 51 ASP 0.000 0.000 19 0 "[ . 1 . 2]" 1 52 GLY 0.007 0.004 13 0 "[ . 1 . 2]" 1 53 ASP 0.004 0.004 13 0 "[ . 1 . 2]" 1 54 SER 0.002 0.001 20 0 "[ . 1 . 2]" 1 55 HIS 0.048 0.045 7 0 "[ . 1 . 2]" 1 56 TYR 0.016 0.006 7 0 "[ . 1 . 2]" 1 57 GLU 0.120 0.032 13 0 "[ . 1 . 2]" 1 58 ILE 0.044 0.022 4 0 "[ . 1 . 2]" 1 59 GLU 0.032 0.019 10 0 "[ . 1 . 2]" 1 60 ILE 0.110 0.078 4 0 "[ . 1 . 2]" 1 61 VAL 0.008 0.007 15 0 "[ . 1 . 2]" 1 62 HIS 0.001 0.001 5 0 "[ . 1 . 2]" 1 63 ILE 0.217 0.078 4 0 "[ . 1 . 2]" 1 64 SER 0.087 0.034 4 0 "[ . 1 . 2]" 1 65 THR 0.026 0.006 6 0 "[ . 1 . 2]" 1 66 VAL 0.012 0.006 6 0 "[ . 1 . 2]" 1 67 GLN 0.041 0.022 6 0 "[ . 1 . 2]" 1 68 ILE 0.016 0.007 6 0 "[ . 1 . 2]" 1 69 LEU 0.072 0.029 6 0 "[ . 1 . 2]" 1 70 THR 0.004 0.004 1 0 "[ . 1 . 2]" 1 71 GLU 0.218 0.050 15 0 "[ . 1 . 2]" 1 72 GLY 0.020 0.011 15 0 "[ . 1 . 2]" 1 73 PHE 0.008 0.008 19 0 "[ . 1 . 2]" 1 74 PRO 0.000 0.000 . 0 "[ . 1 . 2]" 1 75 PRO 0.000 0.000 . 0 "[ . 1 . 2]" 1 79 ASN 0.000 0.000 . 0 "[ . 1 . 2]" 1 80 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 81 ARG 0.017 0.007 18 0 "[ . 1 . 2]" 1 82 ALA 0.014 0.007 18 0 "[ . 1 . 2]" 1 83 THR 0.011 0.004 14 0 "[ . 1 . 2]" 1 84 GLY 0.002 0.001 11 0 "[ . 1 . 2]" 1 85 MET 0.019 0.016 5 0 "[ . 1 . 2]" 1 86 PHE 0.032 0.022 6 0 "[ . 1 . 2]" 1 87 LEU 0.018 0.012 8 0 "[ . 1 . 2]" 1 88 GLN 0.046 0.009 6 0 "[ . 1 . 2]" 1 89 TYR 0.012 0.006 20 0 "[ . 1 . 2]" 1 90 THR 0.004 0.003 15 0 "[ . 1 . 2]" 1 91 VAL 0.047 0.015 9 0 "[ . 1 . 2]" 1 92 PRO 0.059 0.041 7 0 "[ . 1 . 2]" 1 93 GLY 0.042 0.041 7 0 "[ . 1 . 2]" 1 94 THR 0.066 0.020 6 0 "[ . 1 . 2]" 1 95 GLU 0.057 0.019 8 0 "[ . 1 . 2]" 1 96 GLY 0.047 0.019 8 0 "[ . 1 . 2]" 1 97 VAL 0.012 0.003 3 0 "[ . 1 . 2]" 1 98 THR 0.018 0.009 6 0 "[ . 1 . 2]" 1 99 GLN 0.006 0.003 11 0 "[ . 1 . 2]" 1 100 LEU 0.004 0.003 11 0 "[ . 1 . 2]" 1 101 LYS 0.051 0.029 6 0 "[ . 1 . 2]" 1 102 LEU 0.004 0.003 15 0 "[ . 1 . 2]" 1 103 THR 0.001 0.001 6 0 "[ . 1 . 2]" 1 104 VAL 0.040 0.015 11 0 "[ . 1 . 2]" 1 105 VAL 0.755 0.246 19 0 "[ . 1 . 2]" 1 106 GLU 1.317 0.246 19 0 "[ . 1 . 2]" 1 107 ASP 0.168 0.082 10 0 "[ . 1 . 2]" 1 108 VAL 0.010 0.006 4 0 "[ . 1 . 2]" 1 109 THR 0.011 0.006 4 0 "[ . 1 . 2]" 1 110 VAL 0.056 0.030 17 0 "[ . 1 . 2]" 1 111 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 112 ARG 0.115 0.072 6 0 "[ . 1 . 2]" 1 113 ARG 0.090 0.050 4 0 "[ . 1 . 2]" 1 114 GLN 0.056 0.049 9 0 "[ . 1 . 2]" 1 115 ALA 0.002 0.002 4 0 "[ . 1 . 2]" 1 116 VAL 0.043 0.029 17 0 "[ . 1 . 2]" 1 117 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 118 TRP 0.027 0.006 8 0 "[ . 1 . 2]" 1 119 LEU 0.009 0.005 2 0 "[ . 1 . 2]" 1 120 VAL 0.003 0.003 7 0 "[ . 1 . 2]" 1 121 ALA 0.033 0.014 11 0 "[ . 1 . 2]" 1 122 MET 0.125 0.044 13 0 "[ . 1 . 2]" 1 123 HIS 0.132 0.044 13 0 "[ . 1 . 2]" 1 124 LYS 0.180 0.138 9 0 "[ . 1 . 2]" 1 125 ALA 0.109 0.043 11 0 "[ . 1 . 2]" 1 126 ALA 0.194 0.064 16 0 "[ . 1 . 2]" 1 127 LYS 0.228 0.065 2 0 "[ . 1 . 2]" 1 128 LEU 0.156 0.055 11 0 "[ . 1 . 2]" 1 129 LEU 0.109 0.021 19 0 "[ . 1 . 2]" 1 130 TYR 0.252 0.077 7 0 "[ . 1 . 2]" 1 131 GLU 0.322 0.088 11 0 "[ . 1 . 2]" 1 132 SER 0.222 0.088 11 0 "[ . 1 . 2]" 1 133 ARG 0.225 0.049 19 0 "[ . 1 . 2]" 1 134 ASP 0.088 0.049 19 0 "[ . 1 . 2]" 1 135 GLN 0.000 0.000 . 0 "[ . 1 . 2]" 1 136 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 137 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 138 PRO 0.000 0.000 . 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 7 GLY H 1 8 ALA H . . 4.660 3.627 2.150 4.589 . 0 0 "[ . 1 . 2]" 1 2 1 7 GLY QA 1 9 GLU H . . 4.960 4.019 3.134 4.848 . 0 0 "[ . 1 . 2]" 1 3 1 8 ALA H 1 8 ALA MB . . 3.380 2.476 2.083 2.944 . 0 0 "[ . 1 . 2]" 1 4 1 8 ALA H 1 9 GLU H . . 4.510 3.461 2.569 4.111 . 0 0 "[ . 1 . 2]" 1 5 1 8 ALA H 1 9 GLU HA . . 5.080 4.852 4.390 5.094 0.014 10 0 "[ . 1 . 2]" 1 6 1 8 ALA HA 1 10 PHE H . . 4.230 3.590 2.941 3.957 . 0 0 "[ . 1 . 2]" 1 7 1 8 ALA HA 1 10 PHE HB2 . . 5.440 5.097 4.406 5.440 . 0 0 "[ . 1 . 2]" 1 8 1 8 ALA HA 1 10 PHE HB3 . . 5.440 4.769 3.691 5.436 . 0 0 "[ . 1 . 2]" 1 9 1 8 ALA MB 1 9 GLU H . . 3.750 3.633 3.449 3.714 . 0 0 "[ . 1 . 2]" 1 10 1 9 GLU H 1 9 GLU QB . . 3.220 2.396 2.139 2.660 . 0 0 "[ . 1 . 2]" 1 11 1 9 GLU H 1 9 GLU HG2 . . 4.570 3.595 1.885 4.572 0.002 17 0 "[ . 1 . 2]" 1 12 1 9 GLU H 1 9 GLU QG . . 3.960 2.860 1.876 3.944 . 0 0 "[ . 1 . 2]" 1 13 1 9 GLU H 1 9 GLU HG3 . . 4.570 3.290 1.897 4.525 . 0 0 "[ . 1 . 2]" 1 14 1 9 GLU H 1 10 PHE H . . 3.860 2.719 1.906 3.185 . 0 0 "[ . 1 . 2]" 1 15 1 9 GLU HA 1 9 GLU HG2 . . 4.100 3.013 2.231 4.133 0.033 6 0 "[ . 1 . 2]" 1 16 1 9 GLU HA 1 9 GLU QG . . 3.530 2.507 2.208 3.332 . 0 0 "[ . 1 . 2]" 1 17 1 9 GLU HA 1 9 GLU HG3 . . 4.100 2.952 2.280 3.974 . 0 0 "[ . 1 . 2]" 1 18 1 9 GLU HA 1 12 ASP HB2 . . 4.140 2.264 2.000 2.688 . 0 0 "[ . 1 . 2]" 1 19 1 9 GLU HA 1 12 ASP HB3 . . 4.140 3.742 3.318 4.142 0.002 15 0 "[ . 1 . 2]" 1 20 1 9 GLU QB 1 10 PHE H . . 3.630 2.666 2.319 3.294 . 0 0 "[ . 1 . 2]" 1 21 1 9 GLU QB 1 10 PHE HA . . 3.950 3.881 3.729 4.036 0.086 10 0 "[ . 1 . 2]" 1 22 1 10 PHE H 1 10 PHE HB2 . . 3.180 2.366 2.179 3.442 0.262 20 0 "[ . 1 . 2]" 1 23 1 10 PHE H 1 10 PHE HB3 . . 3.180 2.780 2.150 3.065 . 0 0 "[ . 1 . 2]" 1 24 1 10 PHE H 1 10 PHE QD . . 4.640 3.995 2.896 4.193 . 0 0 "[ . 1 . 2]" 1 25 1 10 PHE HA 1 10 PHE QD . . 3.890 2.883 2.180 3.612 . 0 0 "[ . 1 . 2]" 1 26 1 10 PHE QB 1 11 TYR H . . 3.220 2.424 2.043 3.203 . 0 0 "[ . 1 . 2]" 1 27 1 11 TYR H 1 11 TYR QB . . 3.060 2.244 2.149 2.345 . 0 0 "[ . 1 . 2]" 1 28 1 11 TYR H 1 12 ASP H . . 3.610 2.582 2.206 2.917 . 0 0 "[ . 1 . 2]" 1 29 1 11 TYR HA 1 11 TYR QD . . 3.520 2.682 2.135 3.091 . 0 0 "[ . 1 . 2]" 1 30 1 11 TYR HA 1 11 TYR QE . . 4.690 4.498 4.215 4.639 . 0 0 "[ . 1 . 2]" 1 31 1 11 TYR HA 1 14 GLN H . . 4.430 3.403 2.991 3.812 . 0 0 "[ . 1 . 2]" 1 32 1 11 TYR HA 1 14 GLN QB . . 4.420 3.265 2.367 4.458 0.038 16 0 "[ . 1 . 2]" 1 33 1 11 TYR HA 1 14 GLN QG . . 4.580 3.192 2.026 4.146 . 0 0 "[ . 1 . 2]" 1 34 1 11 TYR QB 1 12 ASP H . . 3.730 2.613 2.290 3.198 . 0 0 "[ . 1 . 2]" 1 35 1 11 TYR HB2 1 12 ASP H . . 4.240 3.386 2.402 4.240 . 0 0 "[ . 1 . 2]" 1 36 1 11 TYR HB3 1 12 ASP H . . 4.240 2.937 2.313 3.770 . 0 0 "[ . 1 . 2]" 1 37 1 11 TYR QD 1 125 ALA HA . . 4.870 4.439 3.311 4.838 . 0 0 "[ . 1 . 2]" 1 38 1 11 TYR QD 1 125 ALA MB . . 4.470 4.126 3.457 4.471 0.001 19 0 "[ . 1 . 2]" 1 39 1 11 TYR QD 1 128 LEU MD1 . . 4.270 3.385 2.546 4.066 . 0 0 "[ . 1 . 2]" 1 40 1 11 TYR QE 1 125 ALA HA . . 4.260 2.932 2.133 3.792 . 0 0 "[ . 1 . 2]" 1 41 1 11 TYR QE 1 125 ALA MB . . 4.150 3.144 2.073 4.153 0.003 10 0 "[ . 1 . 2]" 1 42 1 12 ASP H 1 12 ASP HB2 . . 3.610 2.359 2.187 2.716 . 0 0 "[ . 1 . 2]" 1 43 1 12 ASP H 1 12 ASP HB3 . . 3.610 3.564 3.493 3.620 0.010 18 0 "[ . 1 . 2]" 1 44 1 12 ASP H 1 13 LYS H . . 3.700 2.798 2.235 3.083 . 0 0 "[ . 1 . 2]" 1 45 1 12 ASP HA 1 15 LEU H . . 4.490 3.452 2.935 3.915 . 0 0 "[ . 1 . 2]" 1 46 1 12 ASP HA 1 15 LEU QB . . 3.840 3.018 2.205 3.839 . 0 0 "[ . 1 . 2]" 1 47 1 12 ASP HA 1 15 LEU HG . . 4.220 2.550 2.000 3.844 . 0 0 "[ . 1 . 2]" 1 48 1 12 ASP QB 1 13 LYS H . . 3.480 2.729 2.052 3.126 . 0 0 "[ . 1 . 2]" 1 49 1 12 ASP QB 1 13 LYS HA . . 4.380 3.891 3.733 4.047 . 0 0 "[ . 1 . 2]" 1 50 1 12 ASP HB2 1 13 LYS H . . 3.990 2.854 2.072 3.282 . 0 0 "[ . 1 . 2]" 1 51 1 12 ASP HB2 1 13 LYS HA . . 4.970 4.586 4.022 4.872 . 0 0 "[ . 1 . 2]" 1 52 1 12 ASP HB3 1 13 LYS H . . 3.990 3.520 3.138 3.941 . 0 0 "[ . 1 . 2]" 1 53 1 12 ASP HB3 1 13 LYS HA . . 4.970 4.226 4.024 4.423 . 0 0 "[ . 1 . 2]" 1 54 1 13 LYS H 1 13 LYS HB2 . . 3.690 2.395 2.180 3.509 . 0 0 "[ . 1 . 2]" 1 55 1 13 LYS H 1 13 LYS QB . . 3.210 2.326 2.159 2.816 . 0 0 "[ . 1 . 2]" 1 56 1 13 LYS H 1 13 LYS HB3 . . 3.690 3.488 2.759 3.600 . 0 0 "[ . 1 . 2]" 1 57 1 13 LYS H 1 13 LYS QD . . 4.950 3.952 2.594 4.424 . 0 0 "[ . 1 . 2]" 1 58 1 13 LYS H 1 13 LYS QE . . 5.500 4.540 2.349 5.496 . 0 0 "[ . 1 . 2]" 1 59 1 13 LYS H 1 13 LYS HG2 . . 4.660 3.266 1.921 4.617 . 0 0 "[ . 1 . 2]" 1 60 1 13 LYS H 1 13 LYS QG . . 3.970 2.646 1.859 3.972 0.002 20 0 "[ . 1 . 2]" 1 61 1 13 LYS H 1 13 LYS HG3 . . 4.660 3.159 2.021 4.331 . 0 0 "[ . 1 . 2]" 1 62 1 13 LYS H 1 14 GLN H . . 3.700 2.670 2.258 3.026 . 0 0 "[ . 1 . 2]" 1 63 1 13 LYS HA 1 13 LYS QD . . 4.620 3.334 2.050 4.418 . 0 0 "[ . 1 . 2]" 1 64 1 13 LYS HA 1 13 LYS QE . . 5.290 3.960 1.973 4.951 . 0 0 "[ . 1 . 2]" 1 65 1 13 LYS HA 1 13 LYS HG2 . . 4.130 2.707 2.280 3.740 . 0 0 "[ . 1 . 2]" 1 66 1 13 LYS HA 1 13 LYS QG . . 3.580 2.474 2.166 3.272 . 0 0 "[ . 1 . 2]" 1 67 1 13 LYS HA 1 13 LYS HG3 . . 4.130 3.184 2.187 3.863 . 0 0 "[ . 1 . 2]" 1 68 1 13 LYS HA 1 16 LYS H . . 4.690 4.082 3.324 4.603 . 0 0 "[ . 1 . 2]" 1 69 1 13 LYS HA 1 16 LYS QD . . 4.870 3.254 1.975 4.798 . 0 0 "[ . 1 . 2]" 1 70 1 13 LYS HA 1 16 LYS QE . . 5.500 3.037 2.023 5.027 . 0 0 "[ . 1 . 2]" 1 71 1 13 LYS HA 1 16 LYS QG . . 4.630 2.849 1.982 4.045 . 0 0 "[ . 1 . 2]" 1 72 1 13 LYS QB 1 13 LYS QD . . 3.020 2.217 2.037 2.525 . 0 0 "[ . 1 . 2]" 1 73 1 13 LYS QB 1 13 LYS QE . . 3.880 2.748 2.029 3.752 . 0 0 "[ . 1 . 2]" 1 74 1 13 LYS QB 1 14 GLN H . . 3.370 2.684 2.131 3.064 . 0 0 "[ . 1 . 2]" 1 75 1 13 LYS QB 1 14 GLN HA . . 4.210 3.906 3.750 4.075 . 0 0 "[ . 1 . 2]" 1 76 1 13 LYS HB2 1 13 LYS QD . . 3.500 2.761 2.097 3.458 . 0 0 "[ . 1 . 2]" 1 77 1 13 LYS HB2 1 14 GLN H . . 3.930 2.854 2.153 3.788 . 0 0 "[ . 1 . 2]" 1 78 1 13 LYS HB3 1 13 LYS QD . . 3.500 2.535 2.059 3.273 . 0 0 "[ . 1 . 2]" 1 79 1 13 LYS HB3 1 14 GLN H . . 3.930 3.474 2.504 3.995 0.065 10 0 "[ . 1 . 2]" 1 80 1 13 LYS QE 1 13 LYS HG2 . . 3.870 2.718 2.075 3.422 . 0 0 "[ . 1 . 2]" 1 81 1 13 LYS QE 1 13 LYS QG . . 3.280 2.267 2.052 2.532 . 0 0 "[ . 1 . 2]" 1 82 1 13 LYS QE 1 13 LYS HG3 . . 3.870 2.764 2.257 3.487 . 0 0 "[ . 1 . 2]" 1 83 1 13 LYS QG 1 14 GLN H . . 4.420 4.111 1.874 4.421 0.001 17 0 "[ . 1 . 2]" 1 84 1 13 LYS HG2 1 14 GLN H . . 5.190 4.703 3.535 5.181 . 0 0 "[ . 1 . 2]" 1 85 1 13 LYS HG3 1 14 GLN H . . 5.190 4.649 1.881 5.178 . 0 0 "[ . 1 . 2]" 1 86 1 14 GLN H 1 14 GLN QB . . 3.360 2.439 2.258 2.687 . 0 0 "[ . 1 . 2]" 1 87 1 14 GLN H 1 14 GLN QE . . 4.610 3.912 3.020 4.613 0.003 15 0 "[ . 1 . 2]" 1 88 1 14 GLN H 1 14 GLN HG2 . . 3.910 3.159 2.000 3.908 . 0 0 "[ . 1 . 2]" 1 89 1 14 GLN H 1 14 GLN QG . . 3.410 2.506 1.906 3.377 . 0 0 "[ . 1 . 2]" 1 90 1 14 GLN H 1 14 GLN HG3 . . 3.910 3.089 1.917 3.909 . 0 0 "[ . 1 . 2]" 1 91 1 14 GLN H 1 15 LEU H . . 3.370 2.539 2.290 2.803 . 0 0 "[ . 1 . 2]" 1 92 1 14 GLN HA 1 14 GLN HG2 . . 4.200 3.164 2.374 4.245 0.045 9 0 "[ . 1 . 2]" 1 93 1 14 GLN HA 1 14 GLN QG . . 3.690 2.738 2.305 3.470 . 0 0 "[ . 1 . 2]" 1 94 1 14 GLN HA 1 14 GLN HG3 . . 4.200 3.253 2.415 4.220 0.020 16 0 "[ . 1 . 2]" 1 95 1 14 GLN HA 1 16 LYS H . . 5.180 4.661 3.928 5.181 0.001 16 0 "[ . 1 . 2]" 1 96 1 14 GLN HA 1 17 VAL H . . 4.100 3.435 2.965 3.718 . 0 0 "[ . 1 . 2]" 1 97 1 14 GLN HA 1 17 VAL HB . . 3.900 2.632 2.187 3.295 . 0 0 "[ . 1 . 2]" 1 98 1 14 GLN HA 1 17 VAL MG2 . . 3.760 2.786 2.137 3.539 . 0 0 "[ . 1 . 2]" 1 99 1 14 GLN HA 1 18 LEU H . . 4.650 4.095 3.529 4.630 . 0 0 "[ . 1 . 2]" 1 100 1 14 GLN HA 1 121 ALA MB . . 4.020 3.199 2.655 3.914 . 0 0 "[ . 1 . 2]" 1 101 1 14 GLN QB 1 15 LEU H . . 3.660 2.790 2.295 3.655 . 0 0 "[ . 1 . 2]" 1 102 1 14 GLN QB 1 15 LEU HA . . 4.380 3.947 3.791 4.377 . 0 0 "[ . 1 . 2]" 1 103 1 14 GLN QB 1 121 ALA MB . . 3.400 2.142 1.768 2.504 . 0 0 "[ . 1 . 2]" 1 104 1 14 GLN QG 1 15 LEU H . . 4.640 3.901 2.066 4.604 . 0 0 "[ . 1 . 2]" 1 105 1 14 GLN QG 1 121 ALA HA . . 4.310 3.384 2.020 4.146 . 0 0 "[ . 1 . 2]" 1 106 1 14 GLN QG 1 121 ALA MB . . 3.660 2.890 2.008 3.657 . 0 0 "[ . 1 . 2]" 1 107 1 14 GLN HG2 1 121 ALA MB . . 4.400 3.479 2.380 4.399 . 0 0 "[ . 1 . 2]" 1 108 1 14 GLN HG3 1 121 ALA MB . . 4.400 3.523 2.021 4.383 . 0 0 "[ . 1 . 2]" 1 109 1 15 LEU H 1 15 LEU QB . . 3.120 2.443 2.136 2.660 . 0 0 "[ . 1 . 2]" 1 110 1 15 LEU H 1 15 LEU MD1 . . 4.340 3.772 3.387 4.207 . 0 0 "[ . 1 . 2]" 1 111 1 15 LEU H 1 15 LEU QD . . 3.720 2.970 2.483 3.359 . 0 0 "[ . 1 . 2]" 1 112 1 15 LEU H 1 15 LEU MD2 . . 4.340 3.124 2.511 3.577 . 0 0 "[ . 1 . 2]" 1 113 1 15 LEU H 1 15 LEU HG . . 3.410 2.370 1.927 3.161 . 0 0 "[ . 1 . 2]" 1 114 1 15 LEU H 1 16 LYS H . . 3.810 2.950 2.465 3.301 . 0 0 "[ . 1 . 2]" 1 115 1 15 LEU HA 1 15 LEU QD . . 3.260 2.469 1.922 3.260 . 12 0 "[ . 1 . 2]" 1 116 1 15 LEU HA 1 18 LEU H . . 4.220 3.521 3.201 3.804 . 0 0 "[ . 1 . 2]" 1 117 1 15 LEU HA 1 18 LEU HB2 . . 4.730 2.819 2.538 3.116 . 0 0 "[ . 1 . 2]" 1 118 1 15 LEU HA 1 18 LEU QB . . 4.160 2.788 2.517 3.075 . 0 0 "[ . 1 . 2]" 1 119 1 15 LEU HA 1 18 LEU HB3 . . 4.730 4.420 4.085 4.724 . 0 0 "[ . 1 . 2]" 1 120 1 15 LEU HA 1 18 LEU MD1 . . 3.950 2.660 2.065 3.243 . 0 0 "[ . 1 . 2]" 1 121 1 15 LEU HA 1 19 LEU H . . 4.470 3.986 3.576 4.361 . 0 0 "[ . 1 . 2]" 1 122 1 15 LEU QB 1 15 LEU MD1 . . 3.230 2.082 2.039 2.145 . 0 0 "[ . 1 . 2]" 1 123 1 15 LEU QB 1 15 LEU QD . . 2.730 1.899 1.812 1.989 . 0 0 "[ . 1 . 2]" 1 124 1 15 LEU QB 1 15 LEU MD2 . . 3.230 2.212 1.993 2.495 . 0 0 "[ . 1 . 2]" 1 125 1 15 LEU QB 1 16 LYS H . . 3.330 2.509 1.916 3.347 0.017 15 0 "[ . 1 . 2]" 1 126 1 15 LEU QB 1 17 VAL H . . 5.450 4.584 4.209 5.148 . 0 0 "[ . 1 . 2]" 1 127 1 15 LEU QB 1 19 LEU H . . 5.130 4.733 4.328 5.128 . 0 0 "[ . 1 . 2]" 1 128 1 15 LEU QD 1 16 LYS H . . 4.250 3.342 2.120 3.905 . 0 0 "[ . 1 . 2]" 1 129 1 15 LEU QD 1 18 LEU H . . 5.440 4.816 4.352 5.110 . 0 0 "[ . 1 . 2]" 1 130 1 15 LEU QD 1 45 GLN QE . . 3.420 2.499 1.820 3.418 . 0 0 "[ . 1 . 2]" 1 131 1 15 LEU QD 1 45 GLN QG . . 4.650 3.848 2.745 4.654 0.004 11 0 "[ . 1 . 2]" 1 132 1 15 LEU MD1 1 16 LYS H . . 4.950 3.561 2.133 4.267 . 0 0 "[ . 1 . 2]" 1 133 1 15 LEU MD2 1 16 LYS H . . 4.950 4.182 3.589 4.641 . 0 0 "[ . 1 . 2]" 1 134 1 15 LEU HG 1 16 LYS H . . 4.090 3.325 1.897 4.143 0.053 10 0 "[ . 1 . 2]" 1 135 1 16 LYS H 1 16 LYS QB . . 2.960 2.398 2.224 2.558 . 0 0 "[ . 1 . 2]" 1 136 1 16 LYS H 1 16 LYS QD . . 4.390 3.948 3.175 4.383 . 0 0 "[ . 1 . 2]" 1 137 1 16 LYS H 1 16 LYS QE . . 4.900 4.434 3.344 4.938 0.038 17 0 "[ . 1 . 2]" 1 138 1 16 LYS H 1 16 LYS QG . . 3.280 2.343 2.091 2.755 . 0 0 "[ . 1 . 2]" 1 139 1 16 LYS H 1 17 VAL H . . 3.600 2.745 2.492 2.955 . 0 0 "[ . 1 . 2]" 1 140 1 16 LYS H 1 17 VAL MG2 . . 4.520 4.287 3.828 4.521 0.001 10 0 "[ . 1 . 2]" 1 141 1 16 LYS H 1 18 LEU H . . 4.780 4.304 4.019 4.624 . 0 0 "[ . 1 . 2]" 1 142 1 16 LYS H 1 19 LEU MD1 . . 4.970 4.271 3.656 4.707 . 0 0 "[ . 1 . 2]" 1 143 1 16 LYS HA 1 16 LYS QD . . 4.430 4.296 4.178 4.462 0.032 10 0 "[ . 1 . 2]" 1 144 1 16 LYS HA 1 16 LYS HG2 . . 3.990 3.796 3.608 3.964 . 0 0 "[ . 1 . 2]" 1 145 1 16 LYS HA 1 16 LYS HG3 . . 3.990 3.697 3.580 3.946 . 0 0 "[ . 1 . 2]" 1 146 1 16 LYS HA 1 18 LEU H . . 4.820 4.515 4.192 4.782 . 0 0 "[ . 1 . 2]" 1 147 1 16 LYS HA 1 19 LEU H . . 4.320 3.894 3.647 4.245 . 0 0 "[ . 1 . 2]" 1 148 1 16 LYS HA 1 19 LEU HB2 . . 5.000 3.081 2.753 3.367 . 0 0 "[ . 1 . 2]" 1 149 1 16 LYS HA 1 19 LEU QB . . 4.260 3.043 2.726 3.316 . 0 0 "[ . 1 . 2]" 1 150 1 16 LYS HA 1 19 LEU HB3 . . 5.000 4.718 4.407 4.996 . 0 0 "[ . 1 . 2]" 1 151 1 16 LYS HA 1 19 LEU MD1 . . 3.690 2.759 2.253 3.201 . 0 0 "[ . 1 . 2]" 1 152 1 16 LYS HA 1 20 SER H . . 4.540 3.921 3.437 4.301 . 0 0 "[ . 1 . 2]" 1 153 1 16 LYS QB 1 16 LYS QD . . 3.330 2.133 2.022 2.231 . 0 0 "[ . 1 . 2]" 1 154 1 16 LYS QB 1 16 LYS QE . . 4.240 3.082 1.982 3.672 . 0 0 "[ . 1 . 2]" 1 155 1 16 LYS QB 1 17 VAL H . . 3.520 3.418 3.257 3.521 0.001 15 0 "[ . 1 . 2]" 1 156 1 16 LYS QB 1 17 VAL HA . . 4.620 4.408 4.186 4.615 . 0 0 "[ . 1 . 2]" 1 157 1 16 LYS QE 1 16 LYS HG2 . . 3.880 2.635 2.117 3.403 . 0 0 "[ . 1 . 2]" 1 158 1 16 LYS QE 1 16 LYS QG . . 3.130 2.227 2.053 2.350 . 0 0 "[ . 1 . 2]" 1 159 1 16 LYS QE 1 16 LYS HG3 . . 3.880 2.675 2.092 3.402 . 0 0 "[ . 1 . 2]" 1 160 1 16 LYS QE 1 17 VAL MG2 . . 4.260 3.183 2.220 4.314 0.054 15 0 "[ . 1 . 2]" 1 161 1 16 LYS QG 1 17 VAL H . . 4.270 2.066 1.862 2.266 . 0 0 "[ . 1 . 2]" 1 162 1 16 LYS QG 1 17 VAL HB . . 5.340 3.837 3.652 3.975 . 0 0 "[ . 1 . 2]" 1 163 1 16 LYS QG 1 17 VAL MG2 . . 3.110 2.193 1.943 2.430 . 0 0 "[ . 1 . 2]" 1 164 1 16 LYS HG2 1 17 VAL MG2 . . 3.550 2.958 2.297 3.537 . 0 0 "[ . 1 . 2]" 1 165 1 16 LYS HG3 1 17 VAL MG2 . . 3.550 2.314 1.979 2.705 . 0 0 "[ . 1 . 2]" 1 166 1 17 VAL H 1 17 VAL HB . . 3.280 2.469 2.345 2.584 . 0 0 "[ . 1 . 2]" 1 167 1 17 VAL H 1 17 VAL MG1 . . 3.940 3.751 3.714 3.778 . 0 0 "[ . 1 . 2]" 1 168 1 17 VAL H 1 17 VAL MG2 . . 3.240 2.283 2.039 2.507 . 0 0 "[ . 1 . 2]" 1 169 1 17 VAL H 1 18 LEU H . . 3.630 2.647 2.469 2.840 . 0 0 "[ . 1 . 2]" 1 170 1 17 VAL H 1 18 LEU HG . . 5.500 4.861 4.528 5.294 . 0 0 "[ . 1 . 2]" 1 171 1 17 VAL H 1 19 LEU H . . 4.760 4.479 4.103 4.759 . 0 0 "[ . 1 . 2]" 1 172 1 17 VAL HA 1 17 VAL MG1 . . 3.370 2.430 2.360 2.491 . 0 0 "[ . 1 . 2]" 1 173 1 17 VAL HA 1 17 VAL MG2 . . 3.170 2.326 2.173 2.450 . 0 0 "[ . 1 . 2]" 1 174 1 17 VAL HA 1 20 SER H . . 4.160 3.913 3.542 4.110 . 0 0 "[ . 1 . 2]" 1 175 1 17 VAL HA 1 20 SER HB2 . . 4.340 3.227 2.621 4.294 . 0 0 "[ . 1 . 2]" 1 176 1 17 VAL HA 1 20 SER QB . . 3.740 2.907 2.592 3.443 . 0 0 "[ . 1 . 2]" 1 177 1 17 VAL HA 1 20 SER HB3 . . 4.340 3.572 2.926 4.342 0.002 7 0 "[ . 1 . 2]" 1 178 1 17 VAL HA 1 21 GLY H . . 4.980 4.719 4.213 4.957 . 0 0 "[ . 1 . 2]" 1 179 1 17 VAL HA 1 114 GLN QE . . 4.520 3.161 2.070 4.013 . 0 0 "[ . 1 . 2]" 1 180 1 17 VAL HB 1 18 LEU H . . 3.610 2.590 2.359 2.794 . 0 0 "[ . 1 . 2]" 1 181 1 17 VAL HB 1 18 LEU HG . . 4.430 3.692 3.295 4.009 . 0 0 "[ . 1 . 2]" 1 182 1 17 VAL HB 1 121 ALA MB . . 3.750 3.421 2.888 3.753 0.003 8 0 "[ . 1 . 2]" 1 183 1 17 VAL MG1 1 18 LEU H . . 3.920 3.357 3.102 3.628 . 0 0 "[ . 1 . 2]" 1 184 1 17 VAL MG1 1 18 LEU HA . . 4.030 3.440 3.162 3.604 . 0 0 "[ . 1 . 2]" 1 185 1 17 VAL MG1 1 21 GLY H . . 4.960 4.464 4.091 4.712 . 0 0 "[ . 1 . 2]" 1 186 1 17 VAL MG1 1 114 GLN HA . . 4.460 3.646 2.962 4.143 . 0 0 "[ . 1 . 2]" 1 187 1 17 VAL MG1 1 114 GLN HE21 . . 4.300 3.074 1.914 4.207 . 0 0 "[ . 1 . 2]" 1 188 1 17 VAL MG1 1 114 GLN QE . . 3.730 2.519 1.854 3.613 . 0 0 "[ . 1 . 2]" 1 189 1 17 VAL MG1 1 114 GLN HE22 . . 4.300 2.901 2.004 4.207 . 0 0 "[ . 1 . 2]" 1 190 1 17 VAL MG1 1 117 ALA MB . . 3.400 2.047 1.845 2.322 . 0 0 "[ . 1 . 2]" 1 191 1 17 VAL MG1 1 118 TRP H . . 3.840 3.142 2.617 3.732 . 0 0 "[ . 1 . 2]" 1 192 1 17 VAL MG1 1 118 TRP HA . . 3.250 2.573 2.153 3.010 . 0 0 "[ . 1 . 2]" 1 193 1 17 VAL MG1 1 118 TRP QB . . 3.980 2.857 2.385 3.130 . 0 0 "[ . 1 . 2]" 1 194 1 17 VAL MG1 1 118 TRP HD1 . . 3.640 3.218 2.793 3.525 . 0 0 "[ . 1 . 2]" 1 195 1 17 VAL MG1 1 118 TRP HE1 . . 5.500 5.272 4.883 5.489 . 0 0 "[ . 1 . 2]" 1 196 1 17 VAL MG1 1 119 LEU H . . 5.500 4.992 4.521 5.400 . 0 0 "[ . 1 . 2]" 1 197 1 17 VAL MG1 1 121 ALA MB . . 3.200 3.080 2.526 3.202 0.002 11 0 "[ . 1 . 2]" 1 198 1 17 VAL MG2 1 18 LEU H . . 4.020 3.874 3.708 3.997 . 0 0 "[ . 1 . 2]" 1 199 1 17 VAL MG2 1 117 ALA MB . . 3.520 2.963 2.360 3.507 . 0 0 "[ . 1 . 2]" 1 200 1 18 LEU H 1 18 LEU HB2 . . 3.990 2.304 2.158 2.496 . 0 0 "[ . 1 . 2]" 1 201 1 18 LEU H 1 18 LEU QB . . 3.380 2.275 2.138 2.452 . 0 0 "[ . 1 . 2]" 1 202 1 18 LEU H 1 18 LEU HB3 . . 3.990 3.543 3.475 3.584 . 0 0 "[ . 1 . 2]" 1 203 1 18 LEU H 1 18 LEU MD1 . . 3.990 3.538 3.289 3.774 . 0 0 "[ . 1 . 2]" 1 204 1 18 LEU H 1 18 LEU MD2 . . 4.140 3.781 3.477 3.949 . 0 0 "[ . 1 . 2]" 1 205 1 18 LEU H 1 18 LEU HG . . 3.470 2.633 2.209 3.024 . 0 0 "[ . 1 . 2]" 1 206 1 18 LEU H 1 19 LEU H . . 3.880 2.848 2.713 2.987 . 0 0 "[ . 1 . 2]" 1 207 1 18 LEU H 1 19 LEU HG . . 4.680 4.553 4.351 4.669 . 0 0 "[ . 1 . 2]" 1 208 1 18 LEU H 1 20 SER H . . 5.140 4.279 3.933 4.537 . 0 0 "[ . 1 . 2]" 1 209 1 18 LEU H 1 41 LEU MD1 . . 5.500 4.898 4.485 5.135 . 0 0 "[ . 1 . 2]" 1 210 1 18 LEU H 1 121 ALA MB . . 4.050 3.910 3.484 4.058 0.008 8 0 "[ . 1 . 2]" 1 211 1 18 LEU HA 1 18 LEU MD1 . . 4.660 3.854 3.813 3.914 . 0 0 "[ . 1 . 2]" 1 212 1 18 LEU HA 1 18 LEU MD2 . . 3.550 2.160 1.961 2.471 . 0 0 "[ . 1 . 2]" 1 213 1 18 LEU HA 1 41 LEU H . . 5.330 4.813 4.115 5.220 . 0 0 "[ . 1 . 2]" 1 214 1 18 LEU HA 1 118 TRP HD1 . . 3.780 2.116 2.000 2.486 . 0 0 "[ . 1 . 2]" 1 215 1 18 LEU HA 1 118 TRP HE1 . . 3.350 2.765 2.400 3.102 . 0 0 "[ . 1 . 2]" 1 216 1 18 LEU HA 1 121 ALA MB . . 4.370 3.977 3.565 4.264 . 0 0 "[ . 1 . 2]" 1 217 1 18 LEU QB 1 19 LEU H . . 3.640 2.285 2.120 2.579 . 0 0 "[ . 1 . 2]" 1 218 1 18 LEU QB 1 41 LEU HB3 . . 4.660 3.964 3.539 4.247 . 0 0 "[ . 1 . 2]" 1 219 1 18 LEU QB 1 41 LEU MD1 . . 3.650 1.961 1.799 2.059 . 0 0 "[ . 1 . 2]" 1 220 1 18 LEU QB 1 118 TRP HE1 . . 4.360 3.502 3.208 3.717 . 0 0 "[ . 1 . 2]" 1 221 1 18 LEU HB2 1 19 LEU H . . 4.390 2.366 2.173 2.689 . 0 0 "[ . 1 . 2]" 1 222 1 18 LEU HB2 1 41 LEU MD1 . . 4.160 3.125 2.585 3.470 . 0 0 "[ . 1 . 2]" 1 223 1 18 LEU HB2 1 118 TRP HE1 . . 5.070 4.951 4.652 5.073 0.003 3 0 "[ . 1 . 2]" 1 224 1 18 LEU HB3 1 19 LEU H . . 4.390 3.059 2.651 3.540 . 0 0 "[ . 1 . 2]" 1 225 1 18 LEU HB3 1 41 LEU MD1 . . 4.160 1.984 1.835 2.080 . 0 0 "[ . 1 . 2]" 1 226 1 18 LEU HB3 1 118 TRP HE1 . . 5.070 3.581 3.270 3.823 . 0 0 "[ . 1 . 2]" 1 227 1 18 LEU MD1 1 41 LEU MD1 . . 3.240 2.065 1.807 2.328 . 0 0 "[ . 1 . 2]" 1 228 1 18 LEU MD1 1 121 ALA MB . . 3.300 2.526 1.964 3.180 . 0 0 "[ . 1 . 2]" 1 229 1 18 LEU MD1 1 122 MET HA . . 4.000 2.840 1.993 3.891 . 0 0 "[ . 1 . 2]" 1 230 1 18 LEU MD1 1 125 ALA MB . . 3.880 2.529 1.775 2.888 . 0 0 "[ . 1 . 2]" 1 231 1 18 LEU MD2 1 41 LEU MD1 . . 3.620 1.982 1.810 2.198 . 0 0 "[ . 1 . 2]" 1 232 1 18 LEU MD2 1 118 TRP HA . . 4.390 2.838 2.218 3.279 . 0 0 "[ . 1 . 2]" 1 233 1 18 LEU MD2 1 118 TRP HD1 . . 4.400 3.188 2.896 3.794 . 0 0 "[ . 1 . 2]" 1 234 1 18 LEU MD2 1 118 TRP HE1 . . 4.030 2.802 2.331 3.264 . 0 0 "[ . 1 . 2]" 1 235 1 18 LEU MD2 1 118 TRP HZ2 . . 4.750 3.529 3.062 4.010 . 0 0 "[ . 1 . 2]" 1 236 1 18 LEU MD2 1 121 ALA H . . 4.640 4.188 3.785 4.556 . 0 0 "[ . 1 . 2]" 1 237 1 18 LEU MD2 1 121 ALA MB . . 3.360 2.235 1.933 2.822 . 0 0 "[ . 1 . 2]" 1 238 1 18 LEU MD2 1 122 MET H . . 3.750 2.631 2.159 3.088 . 0 0 "[ . 1 . 2]" 1 239 1 18 LEU MD2 1 122 MET HA . . 3.780 2.322 1.902 2.780 . 0 0 "[ . 1 . 2]" 1 240 1 18 LEU MD2 1 122 MET HB2 . . 4.760 2.576 1.907 3.194 . 0 0 "[ . 1 . 2]" 1 241 1 18 LEU MD2 1 122 MET QB . . 3.960 2.536 1.894 3.123 . 0 0 "[ . 1 . 2]" 1 242 1 18 LEU MD2 1 122 MET HB3 . . 4.760 3.815 3.252 4.404 . 0 0 "[ . 1 . 2]" 1 243 1 18 LEU HG 1 19 LEU H . . 5.390 4.508 4.274 4.703 . 0 0 "[ . 1 . 2]" 1 244 1 18 LEU HG 1 41 LEU MD1 . . 4.040 3.808 3.512 4.038 . 0 0 "[ . 1 . 2]" 1 245 1 18 LEU HG 1 121 ALA MB . . 3.370 2.162 1.948 2.707 . 0 0 "[ . 1 . 2]" 1 246 1 19 LEU H 1 19 LEU HB2 . . 3.730 2.570 2.387 2.694 . 0 0 "[ . 1 . 2]" 1 247 1 19 LEU H 1 19 LEU QB . . 3.180 2.515 2.354 2.620 . 0 0 "[ . 1 . 2]" 1 248 1 19 LEU H 1 19 LEU HB3 . . 3.730 3.589 3.571 3.607 . 0 0 "[ . 1 . 2]" 1 249 1 19 LEU H 1 19 LEU MD1 . . 4.160 3.438 3.185 3.618 . 0 0 "[ . 1 . 2]" 1 250 1 19 LEU H 1 19 LEU MD2 . . 3.680 3.380 3.165 3.620 . 0 0 "[ . 1 . 2]" 1 251 1 19 LEU H 1 19 LEU HG . . 3.360 2.113 1.902 2.418 . 0 0 "[ . 1 . 2]" 1 252 1 19 LEU H 1 20 SER H . . 3.540 2.926 2.708 3.147 . 0 0 "[ . 1 . 2]" 1 253 1 19 LEU H 1 21 GLY H . . 4.760 4.436 4.251 4.649 . 0 0 "[ . 1 . 2]" 1 254 1 19 LEU H 1 41 LEU HB2 . . 4.530 4.146 3.741 4.492 . 0 0 "[ . 1 . 2]" 1 255 1 19 LEU HA 1 19 LEU MD1 . . 4.060 3.912 3.857 3.946 . 0 0 "[ . 1 . 2]" 1 256 1 19 LEU HA 1 19 LEU MD2 . . 3.370 2.167 1.967 2.442 . 0 0 "[ . 1 . 2]" 1 257 1 19 LEU HA 1 41 LEU H . . 3.970 2.827 2.327 3.133 . 0 0 "[ . 1 . 2]" 1 258 1 19 LEU HA 1 41 LEU HB3 . . 4.660 4.364 3.199 4.665 0.005 17 0 "[ . 1 . 2]" 1 259 1 19 LEU QB 1 19 LEU MD2 . . 3.110 2.227 2.104 2.317 . 0 0 "[ . 1 . 2]" 1 260 1 19 LEU QB 1 20 SER H . . 3.400 2.323 2.125 2.490 . 0 0 "[ . 1 . 2]" 1 261 1 19 LEU HB2 1 19 LEU MD1 . . 3.290 2.127 1.996 2.372 . 0 0 "[ . 1 . 2]" 1 262 1 19 LEU HB2 1 19 LEU MD2 . . 3.630 3.174 3.137 3.193 . 0 0 "[ . 1 . 2]" 1 263 1 19 LEU HB2 1 20 SER H . . 3.980 2.362 2.153 2.529 . 0 0 "[ . 1 . 2]" 1 264 1 19 LEU HB3 1 19 LEU MD1 . . 3.290 2.520 2.278 2.642 . 0 0 "[ . 1 . 2]" 1 265 1 19 LEU HB3 1 19 LEU MD2 . . 3.630 2.275 2.136 2.379 . 0 0 "[ . 1 . 2]" 1 266 1 19 LEU HB3 1 20 SER H . . 3.980 3.436 3.200 3.718 . 0 0 "[ . 1 . 2]" 1 267 1 19 LEU MD1 1 20 SER H . . 4.220 4.128 3.829 4.223 0.003 13 0 "[ . 1 . 2]" 1 268 1 19 LEU MD1 1 43 ASN HA . . 4.460 3.941 3.512 4.444 . 0 0 "[ . 1 . 2]" 1 269 1 19 LEU MD2 1 41 LEU H . . 4.470 3.792 3.283 4.337 . 0 0 "[ . 1 . 2]" 1 270 1 19 LEU MD2 1 41 LEU HB2 . . 4.530 3.197 2.473 4.020 . 0 0 "[ . 1 . 2]" 1 271 1 19 LEU MD2 1 41 LEU HB3 . . 4.220 3.233 2.401 3.869 . 0 0 "[ . 1 . 2]" 1 272 1 19 LEU MD2 1 43 ASN H . . 4.620 4.254 3.853 4.568 . 0 0 "[ . 1 . 2]" 1 273 1 19 LEU MD2 1 43 ASN HA . . 3.320 2.710 2.093 3.114 . 0 0 "[ . 1 . 2]" 1 274 1 19 LEU MD2 1 45 GLN HG2 . . 4.280 2.890 2.070 3.800 . 0 0 "[ . 1 . 2]" 1 275 1 19 LEU MD2 1 45 GLN QG . . 3.650 2.493 1.892 3.325 . 0 0 "[ . 1 . 2]" 1 276 1 19 LEU MD2 1 45 GLN HG3 . . 4.280 2.931 2.003 4.279 . 0 0 "[ . 1 . 2]" 1 277 1 19 LEU HG 1 20 SER H . . 4.410 4.262 4.121 4.396 . 0 0 "[ . 1 . 2]" 1 278 1 20 SER H 1 20 SER HB2 . . 3.600 2.419 2.224 3.604 0.004 18 0 "[ . 1 . 2]" 1 279 1 20 SER H 1 20 SER QB . . 3.050 2.275 2.165 2.731 . 0 0 "[ . 1 . 2]" 1 280 1 20 SER H 1 20 SER HB3 . . 3.600 3.036 2.481 3.591 . 0 0 "[ . 1 . 2]" 1 281 1 20 SER H 1 21 GLY H . . 3.390 3.006 2.908 3.088 . 0 0 "[ . 1 . 2]" 1 282 1 20 SER QB 1 21 GLY H . . 3.220 2.527 2.249 3.223 0.003 18 0 "[ . 1 . 2]" 1 283 1 20 SER QB 1 114 GLN QE . . 4.410 3.078 2.394 4.174 . 0 0 "[ . 1 . 2]" 1 284 1 20 SER HB2 1 21 GLY H . . 4.100 3.395 2.371 3.893 . 0 0 "[ . 1 . 2]" 1 285 1 20 SER HB3 1 21 GLY H . . 4.100 2.801 2.277 3.790 . 0 0 "[ . 1 . 2]" 1 286 1 21 GLY H 1 22 ALA H . . 4.270 4.019 3.752 4.259 . 0 0 "[ . 1 . 2]" 1 287 1 21 GLY H 1 22 ALA MB . . 5.400 4.535 4.368 4.780 . 0 0 "[ . 1 . 2]" 1 288 1 21 GLY H 1 40 ARG HA . . 4.520 4.241 3.929 4.520 . 0 0 "[ . 1 . 2]" 1 289 1 21 GLY H 1 40 ARG HB2 . . 4.650 4.014 3.520 4.463 . 0 0 "[ . 1 . 2]" 1 290 1 21 GLY H 1 40 ARG HB3 . . 4.670 4.385 3.920 4.655 . 0 0 "[ . 1 . 2]" 1 291 1 21 GLY H 1 118 TRP HE1 . . 4.120 3.885 3.580 4.104 . 0 0 "[ . 1 . 2]" 1 292 1 21 GLY QA 1 39 CYS H . . 4.920 4.326 3.912 4.609 . 0 0 "[ . 1 . 2]" 1 293 1 21 GLY QA 1 40 ARG HA . . 4.060 2.641 2.171 3.036 . 0 0 "[ . 1 . 2]" 1 294 1 21 GLY QA 1 40 ARG HB2 . . 3.980 2.813 2.583 3.002 . 0 0 "[ . 1 . 2]" 1 295 1 21 GLY QA 1 40 ARG HB3 . . 4.120 2.204 1.909 2.560 . 0 0 "[ . 1 . 2]" 1 296 1 21 GLY QA 1 41 LEU H . . 5.340 4.123 3.569 4.495 . 0 0 "[ . 1 . 2]" 1 297 1 21 GLY QA 1 118 TRP HD1 . . 4.490 3.304 2.743 3.720 . 0 0 "[ . 1 . 2]" 1 298 1 21 GLY QA 1 118 TRP HE1 . . 3.920 3.063 2.612 3.450 . 0 0 "[ . 1 . 2]" 1 299 1 21 GLY HA2 1 22 ALA H . . 3.270 2.187 2.138 2.296 . 0 0 "[ . 1 . 2]" 1 300 1 21 GLY HA2 1 40 ARG HA . . 4.610 2.706 2.230 3.107 . 0 0 "[ . 1 . 2]" 1 301 1 21 GLY HA2 1 40 ARG HB2 . . 4.550 3.216 2.886 3.539 . 0 0 "[ . 1 . 2]" 1 302 1 21 GLY HA2 1 40 ARG HB3 . . 4.830 2.770 2.145 3.069 . 0 0 "[ . 1 . 2]" 1 303 1 21 GLY HA3 1 22 ALA H . . 3.270 3.081 2.875 3.243 . 0 0 "[ . 1 . 2]" 1 304 1 21 GLY HA3 1 40 ARG HA . . 4.610 3.705 2.983 4.288 . 0 0 "[ . 1 . 2]" 1 305 1 21 GLY HA3 1 40 ARG HB2 . . 4.550 3.131 2.828 3.435 . 0 0 "[ . 1 . 2]" 1 306 1 21 GLY HA3 1 40 ARG HB3 . . 4.830 2.348 2.016 2.780 . 0 0 "[ . 1 . 2]" 1 307 1 22 ALA H 1 22 ALA MB . . 3.390 2.463 2.299 2.602 . 0 0 "[ . 1 . 2]" 1 308 1 22 ALA H 1 23 THR HA . . 5.490 4.955 4.781 5.076 . 0 0 "[ . 1 . 2]" 1 309 1 22 ALA H 1 24 PHE HZ . . 4.940 4.388 3.270 4.939 . 0 0 "[ . 1 . 2]" 1 310 1 22 ALA H 1 38 THR HA . . 5.500 4.865 4.547 5.058 . 0 0 "[ . 1 . 2]" 1 311 1 22 ALA H 1 38 THR MG . . 3.830 3.433 2.904 3.742 . 0 0 "[ . 1 . 2]" 1 312 1 22 ALA H 1 39 CYS H . . 3.610 3.405 3.143 3.610 0.000 14 0 "[ . 1 . 2]" 1 313 1 22 ALA H 1 40 ARG HA . . 4.460 3.985 3.617 4.432 . 0 0 "[ . 1 . 2]" 1 314 1 22 ALA H 1 40 ARG HB2 . . 5.240 5.101 4.785 5.239 . 0 0 "[ . 1 . 2]" 1 315 1 22 ALA H 1 40 ARG HB3 . . 4.450 4.100 3.596 4.443 . 0 0 "[ . 1 . 2]" 1 316 1 22 ALA H 1 118 TRP HE1 . . 4.760 4.037 3.562 4.534 . 0 0 "[ . 1 . 2]" 1 317 1 22 ALA HA 1 23 THR H . . 3.150 2.411 2.195 2.631 . 0 0 "[ . 1 . 2]" 1 318 1 22 ALA HA 1 23 THR HB . . 5.120 4.939 4.829 5.087 . 0 0 "[ . 1 . 2]" 1 319 1 22 ALA HA 1 114 GLN QG . . 4.580 3.687 3.183 4.578 . 0 0 "[ . 1 . 2]" 1 320 1 22 ALA MB 1 23 THR H . . 3.090 2.476 1.995 2.980 . 0 0 "[ . 1 . 2]" 1 321 1 22 ALA MB 1 24 PHE QD . . 4.110 3.714 3.554 3.952 . 0 0 "[ . 1 . 2]" 1 322 1 22 ALA MB 1 24 PHE QE . . 3.640 2.304 2.008 2.796 . 0 0 "[ . 1 . 2]" 1 323 1 22 ALA MB 1 24 PHE HZ . . 3.840 2.178 1.932 2.444 . 0 0 "[ . 1 . 2]" 1 324 1 22 ALA MB 1 39 CYS H . . 4.740 4.432 4.197 4.720 . 0 0 "[ . 1 . 2]" 1 325 1 22 ALA MB 1 114 GLN QG . . 3.630 2.594 1.996 3.631 0.001 3 0 "[ . 1 . 2]" 1 326 1 22 ALA MB 1 115 ALA H . . 3.860 3.658 2.661 3.860 . 17 0 "[ . 1 . 2]" 1 327 1 22 ALA MB 1 115 ALA HA . . 3.110 2.323 2.063 2.569 . 0 0 "[ . 1 . 2]" 1 328 1 22 ALA MB 1 115 ALA MB . . 3.340 2.924 2.578 3.326 . 0 0 "[ . 1 . 2]" 1 329 1 22 ALA MB 1 118 TRP H . . 4.190 4.088 3.812 4.192 0.002 15 0 "[ . 1 . 2]" 1 330 1 22 ALA MB 1 118 TRP HB2 . . 3.720 2.687 2.386 2.908 . 0 0 "[ . 1 . 2]" 1 331 1 22 ALA MB 1 118 TRP QB . . 3.210 2.453 2.161 2.736 . 0 0 "[ . 1 . 2]" 1 332 1 22 ALA MB 1 118 TRP HB3 . . 3.720 2.863 2.454 3.333 . 0 0 "[ . 1 . 2]" 1 333 1 22 ALA MB 1 118 TRP HD1 . . 3.980 3.431 2.966 3.849 . 0 0 "[ . 1 . 2]" 1 334 1 22 ALA MB 1 118 TRP HE1 . . 5.500 4.727 4.165 5.243 . 0 0 "[ . 1 . 2]" 1 335 1 22 ALA MB 1 119 LEU H . . 5.500 4.831 4.494 5.062 . 0 0 "[ . 1 . 2]" 1 336 1 23 THR H 1 23 THR HB . . 3.260 2.641 2.565 2.729 . 0 0 "[ . 1 . 2]" 1 337 1 23 THR H 1 24 PHE H . . 4.980 4.566 4.485 4.608 . 0 0 "[ . 1 . 2]" 1 338 1 23 THR HA 1 24 PHE H . . 3.100 2.229 2.161 2.265 . 0 0 "[ . 1 . 2]" 1 339 1 23 THR HB 1 24 PHE H . . 4.450 3.846 3.705 3.999 . 0 0 "[ . 1 . 2]" 1 340 1 23 THR HB 1 24 PHE HA . . 4.520 4.464 4.348 4.520 . 0 0 "[ . 1 . 2]" 1 341 1 23 THR MG 1 24 PHE H . . 3.400 2.079 1.882 2.361 . 0 0 "[ . 1 . 2]" 1 342 1 23 THR MG 1 36 THR HB . . 4.270 4.162 3.958 4.275 0.005 6 0 "[ . 1 . 2]" 1 343 1 23 THR MG 1 37 MET H . . 4.140 3.225 2.940 3.556 . 0 0 "[ . 1 . 2]" 1 344 1 24 PHE H 1 24 PHE QB . . 3.400 2.888 2.744 2.981 . 0 0 "[ . 1 . 2]" 1 345 1 24 PHE H 1 24 PHE QD . . 4.020 3.340 2.680 3.788 . 0 0 "[ . 1 . 2]" 1 346 1 24 PHE H 1 25 LEU H . . 4.410 4.374 4.318 4.415 0.005 16 0 "[ . 1 . 2]" 1 347 1 24 PHE H 1 36 THR MG . . 3.990 3.730 3.446 3.908 . 0 0 "[ . 1 . 2]" 1 348 1 24 PHE H 1 37 MET H . . 3.910 3.119 2.903 3.396 . 0 0 "[ . 1 . 2]" 1 349 1 24 PHE H 1 37 MET HA . . 5.010 4.850 4.706 4.985 . 0 0 "[ . 1 . 2]" 1 350 1 24 PHE H 1 39 CYS H . . 4.630 4.346 3.880 4.615 . 0 0 "[ . 1 . 2]" 1 351 1 24 PHE H 1 102 LEU MD2 . . 5.500 4.826 4.459 5.104 . 0 0 "[ . 1 . 2]" 1 352 1 24 PHE HA 1 24 PHE QD . . 4.390 2.758 2.052 3.164 . 0 0 "[ . 1 . 2]" 1 353 1 24 PHE HA 1 25 LEU H . . 3.430 2.416 2.277 2.597 . 0 0 "[ . 1 . 2]" 1 354 1 24 PHE HA 1 25 LEU HB2 . . 4.560 4.427 4.315 4.563 0.003 19 0 "[ . 1 . 2]" 1 355 1 24 PHE HA 1 25 LEU HG . . 4.950 4.155 3.767 4.410 . 0 0 "[ . 1 . 2]" 1 356 1 24 PHE HA 1 103 THR H . . 4.390 3.781 3.478 4.062 . 0 0 "[ . 1 . 2]" 1 357 1 24 PHE HA 1 104 VAL HA . . 3.880 3.430 3.002 3.879 . 0 0 "[ . 1 . 2]" 1 358 1 24 PHE HA 1 105 VAL H . . 5.180 3.844 3.106 4.305 . 0 0 "[ . 1 . 2]" 1 359 1 24 PHE QB 1 25 LEU H . . 3.480 2.411 2.048 2.712 . 0 0 "[ . 1 . 2]" 1 360 1 24 PHE QB 1 26 VAL MG2 . . 3.680 3.276 3.108 3.457 . 0 0 "[ . 1 . 2]" 1 361 1 24 PHE QB 1 37 MET H . . 5.290 4.432 4.244 4.596 . 0 0 "[ . 1 . 2]" 1 362 1 24 PHE QB 1 102 LEU MD2 . . 3.470 2.216 1.954 2.729 . 0 0 "[ . 1 . 2]" 1 363 1 24 PHE QB 1 103 THR H . . 3.830 2.699 2.376 3.025 . 0 0 "[ . 1 . 2]" 1 364 1 24 PHE HB2 1 25 LEU H . . 4.060 3.507 3.093 3.828 . 0 0 "[ . 1 . 2]" 1 365 1 24 PHE HB2 1 26 VAL MG2 . . 4.400 3.439 3.219 3.647 . 0 0 "[ . 1 . 2]" 1 366 1 24 PHE HB2 1 102 LEU MD2 . . 4.140 2.395 2.008 2.883 . 0 0 "[ . 1 . 2]" 1 367 1 24 PHE HB2 1 103 THR H . . 4.590 4.236 3.919 4.528 . 0 0 "[ . 1 . 2]" 1 368 1 24 PHE HB3 1 25 LEU H . . 4.060 2.458 2.071 2.781 . 0 0 "[ . 1 . 2]" 1 369 1 24 PHE HB3 1 26 VAL MG2 . . 4.400 4.139 3.787 4.392 . 0 0 "[ . 1 . 2]" 1 370 1 24 PHE HB3 1 102 LEU MD2 . . 4.140 2.660 2.215 3.374 . 0 0 "[ . 1 . 2]" 1 371 1 24 PHE HB3 1 103 THR H . . 4.590 2.731 2.393 3.073 . 0 0 "[ . 1 . 2]" 1 372 1 24 PHE QD 1 39 CYS H . . 4.590 2.887 2.089 4.509 . 0 0 "[ . 1 . 2]" 1 373 1 24 PHE QD 1 39 CYS HB2 . . 4.180 2.479 2.021 2.996 . 0 0 "[ . 1 . 2]" 1 374 1 24 PHE QD 1 39 CYS HB3 . . 4.180 3.451 2.565 4.158 . 0 0 "[ . 1 . 2]" 1 375 1 24 PHE QD 1 102 LEU MD2 . . 3.900 3.588 2.984 3.839 . 0 0 "[ . 1 . 2]" 1 376 1 24 PHE QD 1 103 THR H . . 4.420 3.931 3.373 4.294 . 0 0 "[ . 1 . 2]" 1 377 1 24 PHE QD 1 104 VAL HA . . 4.120 3.237 2.492 4.016 . 0 0 "[ . 1 . 2]" 1 378 1 24 PHE QD 1 104 VAL MG2 . . 4.630 3.171 2.178 3.887 . 0 0 "[ . 1 . 2]" 1 379 1 24 PHE QD 1 115 ALA MB . . 4.530 3.418 2.918 3.775 . 0 0 "[ . 1 . 2]" 1 380 1 24 PHE QD 1 119 LEU MD1 . . 4.580 3.858 3.278 4.534 . 0 0 "[ . 1 . 2]" 1 381 1 24 PHE QD 1 119 LEU MD2 . . 4.020 3.158 2.606 3.656 . 0 0 "[ . 1 . 2]" 1 382 1 24 PHE QE 1 39 CYS HB2 . . 4.600 3.200 2.173 4.502 . 0 0 "[ . 1 . 2]" 1 383 1 24 PHE QE 1 39 CYS HB3 . . 4.600 3.577 2.385 4.496 . 0 0 "[ . 1 . 2]" 1 384 1 24 PHE QE 1 102 LEU MD2 . . 5.500 5.064 4.832 5.273 . 0 0 "[ . 1 . 2]" 1 385 1 24 PHE QE 1 115 ALA MB . . 3.900 2.228 1.905 3.152 . 0 0 "[ . 1 . 2]" 1 386 1 24 PHE QE 1 119 LEU H . . 4.570 4.062 3.446 4.434 . 0 0 "[ . 1 . 2]" 1 387 1 24 PHE QE 1 119 LEU MD1 . . 4.080 2.991 2.441 3.928 . 0 0 "[ . 1 . 2]" 1 388 1 24 PHE QE 1 119 LEU MD2 . . 3.800 2.612 2.027 3.176 . 0 0 "[ . 1 . 2]" 1 389 1 24 PHE QE 1 119 LEU HG . . 4.460 2.619 2.149 3.522 . 0 0 "[ . 1 . 2]" 1 390 1 24 PHE HZ 1 115 ALA HA . . 4.620 2.611 2.080 3.314 . 0 0 "[ . 1 . 2]" 1 391 1 24 PHE HZ 1 115 ALA MB . . 4.510 3.376 2.768 4.068 . 0 0 "[ . 1 . 2]" 1 392 1 24 PHE HZ 1 118 TRP H . . 4.810 4.225 3.767 4.627 . 0 0 "[ . 1 . 2]" 1 393 1 24 PHE HZ 1 118 TRP HB2 . . 4.810 3.317 2.638 3.864 . 0 0 "[ . 1 . 2]" 1 394 1 24 PHE HZ 1 118 TRP QB . . 4.180 2.057 1.963 2.254 . 0 0 "[ . 1 . 2]" 1 395 1 24 PHE HZ 1 118 TRP HB3 . . 4.810 2.080 2.001 2.272 . 0 0 "[ . 1 . 2]" 1 396 1 24 PHE HZ 1 118 TRP HE3 . . 4.210 3.259 2.529 4.017 . 0 0 "[ . 1 . 2]" 1 397 1 24 PHE HZ 1 119 LEU H . . 4.400 3.777 3.274 4.361 . 0 0 "[ . 1 . 2]" 1 398 1 24 PHE HZ 1 119 LEU MD2 . . 4.390 3.470 2.765 4.112 . 0 0 "[ . 1 . 2]" 1 399 1 24 PHE HZ 1 119 LEU HG . . 4.600 3.406 2.818 4.377 . 0 0 "[ . 1 . 2]" 1 400 1 25 LEU H 1 25 LEU HB2 . . 3.730 2.298 2.189 2.448 . 0 0 "[ . 1 . 2]" 1 401 1 25 LEU H 1 25 LEU HB3 . . 3.940 3.556 3.488 3.663 . 0 0 "[ . 1 . 2]" 1 402 1 25 LEU H 1 25 LEU MD1 . . 4.030 3.936 3.586 4.059 0.029 15 0 "[ . 1 . 2]" 1 403 1 25 LEU H 1 25 LEU HG . . 4.200 3.192 3.018 3.433 . 0 0 "[ . 1 . 2]" 1 404 1 25 LEU H 1 26 VAL H . . 4.960 4.304 4.163 4.446 . 0 0 "[ . 1 . 2]" 1 405 1 25 LEU H 1 102 LEU MD2 . . 4.610 3.854 3.331 4.196 . 0 0 "[ . 1 . 2]" 1 406 1 25 LEU H 1 103 THR H . . 3.910 1.948 1.801 2.212 . 0 0 "[ . 1 . 2]" 1 407 1 25 LEU H 1 103 THR HB . . 4.400 3.524 3.262 4.108 . 0 0 "[ . 1 . 2]" 1 408 1 25 LEU HA 1 25 LEU MD1 . . 3.990 3.827 3.770 3.873 . 0 0 "[ . 1 . 2]" 1 409 1 25 LEU HA 1 25 LEU MD2 . . 3.620 2.125 1.930 2.311 . 0 0 "[ . 1 . 2]" 1 410 1 25 LEU HA 1 26 VAL H . . 3.320 2.150 2.139 2.170 . 0 0 "[ . 1 . 2]" 1 411 1 25 LEU HA 1 26 VAL MG2 . . 4.350 3.787 3.567 3.976 . 0 0 "[ . 1 . 2]" 1 412 1 25 LEU HA 1 37 MET H . . 4.180 3.252 2.972 3.491 . 0 0 "[ . 1 . 2]" 1 413 1 25 LEU HB2 1 25 LEU MD1 . . 3.410 2.309 2.151 2.463 . 0 0 "[ . 1 . 2]" 1 414 1 25 LEU HB2 1 26 VAL H . . 4.990 4.473 4.382 4.537 . 0 0 "[ . 1 . 2]" 1 415 1 25 LEU HB2 1 103 THR H . . 4.370 2.745 2.348 3.118 . 0 0 "[ . 1 . 2]" 1 416 1 25 LEU HB2 1 103 THR HB . . 3.780 2.189 2.005 2.688 . 0 0 "[ . 1 . 2]" 1 417 1 25 LEU HB3 1 25 LEU MD1 . . 3.530 2.373 2.214 2.507 . 0 0 "[ . 1 . 2]" 1 418 1 25 LEU HB3 1 25 LEU MD2 . . 3.520 2.277 2.184 2.396 . 0 0 "[ . 1 . 2]" 1 419 1 25 LEU HB3 1 26 VAL H . . 4.380 3.643 3.430 3.802 . 0 0 "[ . 1 . 2]" 1 420 1 25 LEU HB3 1 34 PRO HB2 . . 4.420 2.080 1.989 2.529 . 0 0 "[ . 1 . 2]" 1 421 1 25 LEU HB3 1 34 PRO HB3 . . 4.000 2.723 2.571 2.911 . 0 0 "[ . 1 . 2]" 1 422 1 25 LEU HB3 1 35 GLU H . . 4.380 3.850 3.396 4.314 . 0 0 "[ . 1 . 2]" 1 423 1 25 LEU HB3 1 36 THR HA . . 5.500 5.179 4.926 5.501 0.001 15 0 "[ . 1 . 2]" 1 424 1 25 LEU HB3 1 103 THR H . . 4.450 4.069 3.729 4.440 . 0 0 "[ . 1 . 2]" 1 425 1 25 LEU HB3 1 103 THR HB . . 3.980 3.537 3.069 3.981 0.001 6 0 "[ . 1 . 2]" 1 426 1 25 LEU MD1 1 34 PRO HB2 . . 4.160 2.646 2.299 3.309 . 0 0 "[ . 1 . 2]" 1 427 1 25 LEU MD1 1 34 PRO HB3 . . 3.790 3.442 3.085 3.812 0.022 15 0 "[ . 1 . 2]" 1 428 1 25 LEU MD1 1 34 PRO QG . . 3.770 2.638 1.748 3.692 . 0 0 "[ . 1 . 2]" 1 429 1 25 LEU MD1 1 103 THR H . . 5.160 4.440 4.081 4.705 . 0 0 "[ . 1 . 2]" 1 430 1 25 LEU MD1 1 103 THR HB . . 4.170 2.708 2.038 3.136 . 0 0 "[ . 1 . 2]" 1 431 1 25 LEU MD1 1 105 VAL HA . . 4.150 3.467 2.551 4.145 . 0 0 "[ . 1 . 2]" 1 432 1 25 LEU MD2 1 26 VAL H . . 3.660 3.327 2.943 3.616 . 0 0 "[ . 1 . 2]" 1 433 1 25 LEU MD2 1 34 PRO HA . . 4.040 3.794 3.456 4.074 0.034 15 0 "[ . 1 . 2]" 1 434 1 25 LEU MD2 1 34 PRO HB2 . . 4.140 1.972 1.824 2.281 . 0 0 "[ . 1 . 2]" 1 435 1 25 LEU MD2 1 34 PRO HB3 . . 3.860 3.468 3.137 3.709 . 0 0 "[ . 1 . 2]" 1 436 1 25 LEU MD2 1 34 PRO QG . . 3.440 2.864 2.051 3.290 . 0 0 "[ . 1 . 2]" 1 437 1 25 LEU MD2 1 35 GLU H . . 3.880 2.888 2.424 3.200 . 0 0 "[ . 1 . 2]" 1 438 1 25 LEU MD2 1 35 GLU HA . . 3.910 3.058 2.757 3.433 . 0 0 "[ . 1 . 2]" 1 439 1 25 LEU MD2 1 36 THR H . . 4.310 3.163 2.816 3.494 . 0 0 "[ . 1 . 2]" 1 440 1 25 LEU MD2 1 36 THR HA . . 3.660 2.433 2.075 3.210 . 0 0 "[ . 1 . 2]" 1 441 1 25 LEU HG 1 26 VAL H . . 5.090 4.942 4.740 5.085 . 0 0 "[ . 1 . 2]" 1 442 1 25 LEU HG 1 34 PRO HB2 . . 4.910 4.129 3.905 4.297 . 0 0 "[ . 1 . 2]" 1 443 1 25 LEU HG 1 36 THR HA . . 5.170 3.885 3.330 4.317 . 0 0 "[ . 1 . 2]" 1 444 1 25 LEU HG 1 105 VAL MG1 . . 4.160 3.144 1.795 4.131 . 0 0 "[ . 1 . 2]" 1 445 1 25 LEU HG 1 105 VAL QG . . 3.460 2.245 1.782 3.306 . 0 0 "[ . 1 . 2]" 1 446 1 25 LEU HG 1 105 VAL MG2 . . 4.160 2.927 1.815 4.159 . 0 0 "[ . 1 . 2]" 1 447 1 26 VAL H 1 26 VAL HB . . 3.960 2.546 2.489 2.607 . 0 0 "[ . 1 . 2]" 1 448 1 26 VAL H 1 26 VAL MG1 . . 4.230 3.808 3.784 3.829 . 0 0 "[ . 1 . 2]" 1 449 1 26 VAL H 1 26 VAL MG2 . . 3.500 2.530 2.269 2.787 . 0 0 "[ . 1 . 2]" 1 450 1 26 VAL H 1 27 THR H . . 5.340 4.449 4.298 4.525 . 0 0 "[ . 1 . 2]" 1 451 1 26 VAL H 1 35 GLU H . . 3.630 2.909 2.333 3.204 . 0 0 "[ . 1 . 2]" 1 452 1 26 VAL H 1 37 MET H . . 4.610 3.585 3.393 3.919 . 0 0 "[ . 1 . 2]" 1 453 1 26 VAL H 1 37 MET QB . . 5.020 3.456 2.867 3.816 . 0 0 "[ . 1 . 2]" 1 454 1 26 VAL H 1 37 MET HG2 . . 5.360 5.090 4.708 5.302 . 0 0 "[ . 1 . 2]" 1 455 1 26 VAL H 1 37 MET HG3 . . 4.940 3.408 2.950 3.637 . 0 0 "[ . 1 . 2]" 1 456 1 26 VAL HA 1 26 VAL MG1 . . 3.600 2.347 2.271 2.458 . 0 0 "[ . 1 . 2]" 1 457 1 26 VAL HA 1 26 VAL MG2 . . 3.580 2.351 2.263 2.471 . 0 0 "[ . 1 . 2]" 1 458 1 26 VAL HA 1 27 THR H . . 3.230 2.157 2.140 2.182 . 0 0 "[ . 1 . 2]" 1 459 1 26 VAL HA 1 102 LEU MD2 . . 3.680 2.839 2.558 3.169 . 0 0 "[ . 1 . 2]" 1 460 1 26 VAL HB 1 27 THR H . . 4.710 4.164 4.051 4.391 . 0 0 "[ . 1 . 2]" 1 461 1 26 VAL HB 1 28 PHE HZ . . 5.030 4.417 3.636 5.009 . 0 0 "[ . 1 . 2]" 1 462 1 26 VAL HB 1 35 GLU H . . 4.330 4.017 3.460 4.284 . 0 0 "[ . 1 . 2]" 1 463 1 26 VAL HB 1 37 MET HG3 . . 4.120 2.951 2.389 3.457 . 0 0 "[ . 1 . 2]" 1 464 1 26 VAL HB 1 102 LEU MD2 . . 4.380 4.278 4.086 4.383 0.003 15 0 "[ . 1 . 2]" 1 465 1 26 VAL MG1 1 27 THR H . . 3.470 2.467 2.199 3.038 . 0 0 "[ . 1 . 2]" 1 466 1 26 VAL MG1 1 28 PHE H . . 4.520 3.854 3.344 4.460 . 0 0 "[ . 1 . 2]" 1 467 1 26 VAL MG1 1 28 PHE QD . . 4.370 3.455 3.063 3.809 . 0 0 "[ . 1 . 2]" 1 468 1 26 VAL MG1 1 28 PHE QE . . 4.170 2.927 2.358 3.501 . 0 0 "[ . 1 . 2]" 1 469 1 26 VAL MG1 1 28 PHE HZ . . 4.340 3.080 2.591 4.276 . 0 0 "[ . 1 . 2]" 1 470 1 26 VAL MG1 1 35 GLU H . . 5.030 4.734 4.238 4.999 . 0 0 "[ . 1 . 2]" 1 471 1 26 VAL MG1 1 100 LEU MD1 . . 3.890 1.894 1.792 2.166 . 0 0 "[ . 1 . 2]" 1 472 1 26 VAL MG1 1 101 LYS H . . 3.910 3.591 3.288 3.858 . 0 0 "[ . 1 . 2]" 1 473 1 26 VAL MG2 1 27 THR H . . 4.130 4.026 3.939 4.116 . 0 0 "[ . 1 . 2]" 1 474 1 26 VAL MG2 1 37 MET H . . 3.810 3.641 3.341 3.818 0.008 18 0 "[ . 1 . 2]" 1 475 1 26 VAL MG2 1 37 MET HB2 . . 4.350 1.982 1.868 2.078 . 0 0 "[ . 1 . 2]" 1 476 1 26 VAL MG2 1 37 MET QB . . 3.470 1.958 1.824 2.060 . 0 0 "[ . 1 . 2]" 1 477 1 26 VAL MG2 1 37 MET HB3 . . 4.350 3.084 2.549 3.470 . 0 0 "[ . 1 . 2]" 1 478 1 26 VAL MG2 1 37 MET HG2 . . 4.320 4.161 3.898 4.311 . 0 0 "[ . 1 . 2]" 1 479 1 26 VAL MG2 1 37 MET HG3 . . 4.030 3.184 2.890 3.623 . 0 0 "[ . 1 . 2]" 1 480 1 26 VAL MG2 1 102 LEU HA . . 4.340 3.681 3.447 4.045 . 0 0 "[ . 1 . 2]" 1 481 1 26 VAL MG2 1 102 LEU MD2 . . 2.920 1.892 1.789 2.084 . 0 0 "[ . 1 . 2]" 1 482 1 26 VAL MG2 1 102 LEU HG . . 4.330 4.053 3.864 4.278 . 0 0 "[ . 1 . 2]" 1 483 1 26 VAL MG2 1 103 THR H . . 5.500 4.799 4.593 5.064 . 0 0 "[ . 1 . 2]" 1 484 1 27 THR H 1 27 THR HB . . 3.830 2.802 2.620 2.949 . 0 0 "[ . 1 . 2]" 1 485 1 27 THR H 1 27 THR MG . . 4.290 3.885 3.818 3.935 . 0 0 "[ . 1 . 2]" 1 486 1 27 THR H 1 28 PHE H . . 4.480 4.229 4.011 4.445 . 0 0 "[ . 1 . 2]" 1 487 1 27 THR H 1 34 PRO HA . . 4.730 4.533 3.656 4.730 . 0 0 "[ . 1 . 2]" 1 488 1 27 THR H 1 100 LEU MD1 . . 4.680 3.928 3.213 4.676 . 0 0 "[ . 1 . 2]" 1 489 1 27 THR H 1 100 LEU HG . . 5.040 4.095 3.257 4.992 . 0 0 "[ . 1 . 2]" 1 490 1 27 THR H 1 101 LYS H . . 3.650 3.156 2.768 3.492 . 0 0 "[ . 1 . 2]" 1 491 1 27 THR H 1 101 LYS HB2 . . 4.720 4.594 4.335 4.717 . 0 0 "[ . 1 . 2]" 1 492 1 27 THR H 1 101 LYS QB . . 4.150 3.380 3.012 3.682 . 0 0 "[ . 1 . 2]" 1 493 1 27 THR H 1 101 LYS HB3 . . 4.720 3.485 3.051 3.864 . 0 0 "[ . 1 . 2]" 1 494 1 27 THR H 1 102 LEU MD2 . . 5.080 4.355 4.124 4.662 . 0 0 "[ . 1 . 2]" 1 495 1 27 THR HA 1 27 THR MG . . 3.430 2.247 2.096 2.378 . 0 0 "[ . 1 . 2]" 1 496 1 27 THR HA 1 28 PHE H . . 3.020 2.165 2.141 2.215 . 0 0 "[ . 1 . 2]" 1 497 1 27 THR HA 1 34 PRO HA . . 4.600 2.743 1.998 3.187 . 0 0 "[ . 1 . 2]" 1 498 1 27 THR HA 1 35 GLU H . . 4.380 3.830 3.314 4.116 . 0 0 "[ . 1 . 2]" 1 499 1 27 THR HB 1 28 PHE H . . 4.390 4.177 3.875 4.380 . 0 0 "[ . 1 . 2]" 1 500 1 27 THR HB 1 101 LYS H . . 4.380 4.174 3.609 4.374 . 0 0 "[ . 1 . 2]" 1 501 1 27 THR HB 1 101 LYS HB2 . . 4.250 4.064 3.698 4.250 0.000 15 0 "[ . 1 . 2]" 1 502 1 27 THR HB 1 101 LYS QB . . 3.520 3.186 2.797 3.496 . 0 0 "[ . 1 . 2]" 1 503 1 27 THR HB 1 101 LYS HB3 . . 4.250 3.343 2.855 3.754 . 0 0 "[ . 1 . 2]" 1 504 1 27 THR MG 1 28 PHE H . . 3.750 2.966 2.355 3.279 . 0 0 "[ . 1 . 2]" 1 505 1 27 THR MG 1 32 GLU HA . . 3.720 3.316 2.734 3.729 0.009 15 0 "[ . 1 . 2]" 1 506 1 27 THR MG 1 33 LYS H . . 4.260 3.903 2.890 4.260 . 0 0 "[ . 1 . 2]" 1 507 1 27 THR MG 1 34 PRO HA . . 3.480 3.028 2.623 3.383 . 0 0 "[ . 1 . 2]" 1 508 1 27 THR MG 1 34 PRO QG . . 4.790 4.412 3.878 4.795 0.005 6 0 "[ . 1 . 2]" 1 509 1 28 PHE H 1 28 PHE HB2 . . 3.700 2.428 2.244 2.625 . 0 0 "[ . 1 . 2]" 1 510 1 28 PHE H 1 28 PHE QB . . 3.160 2.393 2.221 2.568 . 0 0 "[ . 1 . 2]" 1 511 1 28 PHE H 1 28 PHE HB3 . . 3.700 3.616 3.534 3.682 . 0 0 "[ . 1 . 2]" 1 512 1 28 PHE H 1 28 PHE QD . . 3.850 2.899 2.359 3.364 . 0 0 "[ . 1 . 2]" 1 513 1 28 PHE H 1 29 GLY H . . 4.750 4.569 4.483 4.624 . 0 0 "[ . 1 . 2]" 1 514 1 28 PHE H 1 31 SER HB2 . . 4.570 3.105 2.125 4.543 . 0 0 "[ . 1 . 2]" 1 515 1 28 PHE H 1 31 SER HB3 . . 4.570 3.917 2.945 4.578 0.008 17 0 "[ . 1 . 2]" 1 516 1 28 PHE HA 1 28 PHE QD . . 4.170 2.526 2.146 2.991 . 0 0 "[ . 1 . 2]" 1 517 1 28 PHE HA 1 28 PHE QE . . 4.980 4.470 4.227 4.738 . 0 0 "[ . 1 . 2]" 1 518 1 28 PHE HA 1 29 GLY H . . 3.200 2.274 2.162 2.611 . 0 0 "[ . 1 . 2]" 1 519 1 28 PHE QB 1 29 GLY H . . 3.650 2.778 1.998 3.144 . 0 0 "[ . 1 . 2]" 1 520 1 28 PHE QB 1 31 SER H . . 4.560 2.594 2.157 4.498 . 0 0 "[ . 1 . 2]" 1 521 1 28 PHE QB 1 31 SER QB . . 3.980 2.711 2.111 3.521 . 0 0 "[ . 1 . 2]" 1 522 1 28 PHE HB2 1 29 GLY H . . 4.210 3.953 3.319 4.211 0.001 3 0 "[ . 1 . 2]" 1 523 1 28 PHE HB3 1 29 GLY H . . 4.210 2.841 2.014 3.245 . 0 0 "[ . 1 . 2]" 1 524 1 28 PHE QD 1 29 GLY H . . 4.620 3.631 3.019 4.092 . 0 0 "[ . 1 . 2]" 1 525 1 28 PHE QD 1 98 THR MG . . 4.390 4.185 3.656 4.393 0.003 6 0 "[ . 1 . 2]" 1 526 1 28 PHE QD 1 100 LEU MD1 . . 4.460 3.611 3.035 4.445 . 0 0 "[ . 1 . 2]" 1 527 1 28 PHE QE 1 50 LEU MD1 . . 4.380 3.746 2.855 4.325 . 0 0 "[ . 1 . 2]" 1 528 1 28 PHE QE 1 100 LEU MD1 . . 4.140 3.120 2.484 3.839 . 0 0 "[ . 1 . 2]" 1 529 1 28 PHE HZ 1 37 MET ME . . 4.220 3.270 2.282 4.081 . 0 0 "[ . 1 . 2]" 1 530 1 28 PHE HZ 1 50 LEU MD1 . . 3.980 3.483 2.555 3.888 . 0 0 "[ . 1 . 2]" 1 531 1 29 GLY H 1 98 THR MG . . 4.490 4.098 3.365 4.489 . 0 0 "[ . 1 . 2]" 1 532 1 30 ASN QB 1 30 ASN QD . . 3.010 2.113 2.062 2.215 . 0 0 "[ . 1 . 2]" 1 533 1 30 ASN HB2 1 30 ASN HD22 . . 4.050 3.691 3.433 4.039 . 0 0 "[ . 1 . 2]" 1 534 1 30 ASN HB3 1 30 ASN HD22 . . 4.050 3.672 3.435 4.017 . 0 0 "[ . 1 . 2]" 1 535 1 31 SER H 1 31 SER HB2 . . 3.830 2.816 2.241 3.694 . 0 0 "[ . 1 . 2]" 1 536 1 31 SER H 1 31 SER QB . . 3.260 2.524 2.216 2.710 . 0 0 "[ . 1 . 2]" 1 537 1 31 SER H 1 31 SER HB3 . . 3.830 3.286 2.493 3.658 . 0 0 "[ . 1 . 2]" 1 538 1 31 SER H 1 32 GLU H . . 4.660 4.244 2.270 4.523 . 0 0 "[ . 1 . 2]" 1 539 1 31 SER HA 1 32 GLU H . . 3.170 2.235 2.139 3.324 0.154 17 0 "[ . 1 . 2]" 1 540 1 31 SER HA 1 32 GLU QB . . 5.340 4.435 4.163 4.582 . 0 0 "[ . 1 . 2]" 1 541 1 31 SER HA 1 32 GLU QG . . 5.340 3.996 3.553 5.138 . 0 0 "[ . 1 . 2]" 1 542 1 31 SER HA 1 33 LYS H . . 3.980 3.531 3.198 4.083 0.103 17 0 "[ . 1 . 2]" 1 543 1 31 SER QB 1 33 LYS H . . 3.830 3.115 2.593 3.818 . 0 0 "[ . 1 . 2]" 1 544 1 31 SER HB2 1 32 GLU H . . 4.590 4.079 3.207 4.590 0.000 6 0 "[ . 1 . 2]" 1 545 1 31 SER HB2 1 33 LYS H . . 4.690 3.947 2.804 4.694 0.004 15 0 "[ . 1 . 2]" 1 546 1 31 SER HB3 1 32 GLU H . . 4.590 3.899 3.389 4.429 . 0 0 "[ . 1 . 2]" 1 547 1 31 SER HB3 1 33 LYS H . . 4.690 3.546 2.732 4.598 . 0 0 "[ . 1 . 2]" 1 548 1 32 GLU H 1 32 GLU HB2 . . 3.980 3.243 2.439 3.653 . 0 0 "[ . 1 . 2]" 1 549 1 32 GLU H 1 32 GLU QB . . 3.450 2.542 2.307 3.320 . 0 0 "[ . 1 . 2]" 1 550 1 32 GLU H 1 32 GLU HB3 . . 3.980 2.988 2.336 3.829 . 0 0 "[ . 1 . 2]" 1 551 1 32 GLU H 1 32 GLU QG . . 4.200 2.417 1.891 3.263 . 0 0 "[ . 1 . 2]" 1 552 1 32 GLU H 1 33 LYS H . . 3.420 2.510 2.265 2.955 . 0 0 "[ . 1 . 2]" 1 553 1 32 GLU HA 1 32 GLU QG . . 3.590 3.051 2.360 3.486 . 0 0 "[ . 1 . 2]" 1 554 1 32 GLU QB 1 33 LYS H . . 3.840 3.418 2.787 3.798 . 0 0 "[ . 1 . 2]" 1 555 1 32 GLU HB2 1 33 LYS H . . 4.700 3.731 2.850 4.333 . 0 0 "[ . 1 . 2]" 1 556 1 32 GLU HB3 1 33 LYS H . . 4.700 4.108 3.861 4.555 . 0 0 "[ . 1 . 2]" 1 557 1 32 GLU QG 1 33 LYS H . . 4.270 3.204 1.956 4.289 0.019 17 0 "[ . 1 . 2]" 1 558 1 32 GLU HG2 1 33 LYS H . . 4.970 3.814 2.459 4.956 . 0 0 "[ . 1 . 2]" 1 559 1 32 GLU HG3 1 33 LYS H . . 4.970 3.740 1.986 4.963 . 0 0 "[ . 1 . 2]" 1 560 1 33 LYS H 1 33 LYS HB2 . . 3.430 3.267 3.147 3.469 0.039 17 0 "[ . 1 . 2]" 1 561 1 33 LYS H 1 33 LYS QB . . 2.980 2.292 2.183 2.466 . 0 0 "[ . 1 . 2]" 1 562 1 33 LYS H 1 33 LYS HB3 . . 3.430 2.341 2.224 2.523 . 0 0 "[ . 1 . 2]" 1 563 1 33 LYS H 1 33 LYS HG2 . . 4.220 4.034 3.941 4.178 . 0 0 "[ . 1 . 2]" 1 564 1 33 LYS H 1 33 LYS HG3 . . 4.550 4.447 4.359 4.531 . 0 0 "[ . 1 . 2]" 1 565 1 33 LYS H 1 34 PRO HD2 . . 4.990 4.837 4.820 4.844 . 0 0 "[ . 1 . 2]" 1 566 1 33 LYS H 1 34 PRO HD3 . . 5.060 4.831 4.751 4.909 . 0 0 "[ . 1 . 2]" 1 567 1 33 LYS HA 1 33 LYS QD . . 4.360 4.083 3.737 4.292 . 0 0 "[ . 1 . 2]" 1 568 1 33 LYS HA 1 33 LYS QE . . 4.330 3.834 3.232 4.345 0.015 12 0 "[ . 1 . 2]" 1 569 1 33 LYS HA 1 34 PRO HB3 . . 4.870 4.834 4.831 4.845 . 0 0 "[ . 1 . 2]" 1 570 1 33 LYS HA 1 34 PRO HD2 . . 3.690 2.148 2.072 2.187 . 0 0 "[ . 1 . 2]" 1 571 1 33 LYS HA 1 34 PRO HD3 . . 3.570 2.257 2.254 2.269 . 0 0 "[ . 1 . 2]" 1 572 1 33 LYS QB 1 33 LYS QE . . 4.560 2.308 1.930 3.465 . 0 0 "[ . 1 . 2]" 1 573 1 33 LYS QB 1 34 PRO HD2 . . 4.010 3.158 3.062 3.345 . 0 0 "[ . 1 . 2]" 1 574 1 33 LYS QB 1 34 PRO HD3 . . 4.370 4.066 4.000 4.187 . 0 0 "[ . 1 . 2]" 1 575 1 33 LYS HB2 1 34 PRO HD2 . . 4.570 3.271 3.158 3.501 . 0 0 "[ . 1 . 2]" 1 576 1 33 LYS HB2 1 34 PRO HD3 . . 5.240 4.301 4.212 4.472 . 0 0 "[ . 1 . 2]" 1 577 1 33 LYS HB3 1 34 PRO HD2 . . 4.570 4.169 4.115 4.299 . 0 0 "[ . 1 . 2]" 1 578 1 33 LYS HB3 1 34 PRO HD3 . . 5.240 5.013 4.987 5.070 . 0 0 "[ . 1 . 2]" 1 579 1 33 LYS QD 1 34 PRO HD2 . . 4.580 3.855 3.144 4.169 . 0 0 "[ . 1 . 2]" 1 580 1 33 LYS QE 1 33 LYS HG2 . . 3.600 3.130 2.476 3.551 . 0 0 "[ . 1 . 2]" 1 581 1 33 LYS QE 1 33 LYS HG3 . . 3.690 2.591 2.130 3.427 . 0 0 "[ . 1 . 2]" 1 582 1 33 LYS HG2 1 34 PRO HD2 . . 4.800 3.625 3.440 3.928 . 0 0 "[ . 1 . 2]" 1 583 1 33 LYS HG3 1 34 PRO HB2 . . 5.500 4.729 4.556 4.951 . 0 0 "[ . 1 . 2]" 1 584 1 33 LYS HG3 1 34 PRO HB3 . . 5.260 5.043 4.873 5.240 . 0 0 "[ . 1 . 2]" 1 585 1 33 LYS HG3 1 34 PRO HD2 . . 4.750 2.016 1.991 2.276 . 0 0 "[ . 1 . 2]" 1 586 1 33 LYS HG3 1 34 PRO HD3 . . 5.010 3.547 3.469 3.731 . 0 0 "[ . 1 . 2]" 1 587 1 34 PRO HA 1 35 GLU H . . 2.980 2.267 2.165 2.602 . 0 0 "[ . 1 . 2]" 1 588 1 34 PRO HB2 1 35 GLU H . . 3.520 3.034 2.149 3.438 . 0 0 "[ . 1 . 2]" 1 589 1 34 PRO HB3 1 35 GLU H . . 3.940 3.694 3.240 3.938 . 0 0 "[ . 1 . 2]" 1 590 1 34 PRO QG 1 35 GLU H . . 4.830 4.412 3.819 4.623 . 0 0 "[ . 1 . 2]" 1 591 1 35 GLU H 1 35 GLU HB2 . . 3.610 3.069 2.479 3.458 . 0 0 "[ . 1 . 2]" 1 592 1 35 GLU H 1 35 GLU HB3 . . 3.610 2.747 2.565 3.583 . 0 0 "[ . 1 . 2]" 1 593 1 35 GLU H 1 35 GLU HG2 . . 4.980 4.655 4.350 4.949 . 0 0 "[ . 1 . 2]" 1 594 1 35 GLU H 1 35 GLU QG . . 4.110 4.053 3.588 4.128 0.018 10 0 "[ . 1 . 2]" 1 595 1 35 GLU H 1 35 GLU HG3 . . 4.980 4.512 3.721 4.803 . 0 0 "[ . 1 . 2]" 1 596 1 35 GLU H 1 36 THR H . . 4.600 4.429 4.317 4.527 . 0 0 "[ . 1 . 2]" 1 597 1 35 GLU HA 1 35 GLU HG2 . . 4.100 3.384 2.200 3.848 . 0 0 "[ . 1 . 2]" 1 598 1 35 GLU HA 1 35 GLU HG3 . . 4.100 2.847 2.335 3.531 . 0 0 "[ . 1 . 2]" 1 599 1 35 GLU HA 1 36 THR H . . 3.040 2.238 2.186 2.322 . 0 0 "[ . 1 . 2]" 1 600 1 35 GLU QB 1 36 THR H . . 3.640 3.496 2.820 3.640 0.000 1 0 "[ . 1 . 2]" 1 601 1 35 GLU HB2 1 36 THR H . . 4.170 4.039 3.849 4.171 0.001 5 0 "[ . 1 . 2]" 1 602 1 35 GLU HB3 1 36 THR H . . 4.170 3.867 2.871 4.088 . 0 0 "[ . 1 . 2]" 1 603 1 35 GLU HG2 1 36 THR H . . 4.110 3.408 2.517 4.108 . 0 0 "[ . 1 . 2]" 1 604 1 35 GLU HG3 1 36 THR H . . 4.110 2.728 2.064 4.138 0.028 9 0 "[ . 1 . 2]" 1 605 1 36 THR H 1 36 THR HB . . 3.190 2.627 2.552 2.724 . 0 0 "[ . 1 . 2]" 1 606 1 36 THR H 1 36 THR MG . . 3.970 3.775 3.760 3.804 . 0 0 "[ . 1 . 2]" 1 607 1 36 THR H 1 37 MET H . . 4.450 4.369 4.308 4.451 0.001 20 0 "[ . 1 . 2]" 1 608 1 36 THR HA 1 37 MET H . . 3.380 2.159 2.143 2.171 . 0 0 "[ . 1 . 2]" 1 609 1 36 THR HB 1 37 MET H . . 4.370 4.315 4.163 4.378 0.008 8 0 "[ . 1 . 2]" 1 610 1 36 THR MG 1 37 MET H . . 3.610 2.970 2.829 3.148 . 0 0 "[ . 1 . 2]" 1 611 1 37 MET H 1 37 MET HB2 . . 4.120 2.637 2.457 2.853 . 0 0 "[ . 1 . 2]" 1 612 1 37 MET H 1 37 MET HB3 . . 4.120 3.767 3.605 3.894 . 0 0 "[ . 1 . 2]" 1 613 1 37 MET H 1 37 MET HG2 . . 4.400 3.920 3.692 4.268 . 0 0 "[ . 1 . 2]" 1 614 1 37 MET H 1 37 MET HG3 . . 4.220 3.232 2.923 3.564 . 0 0 "[ . 1 . 2]" 1 615 1 37 MET H 1 38 THR H . . 4.640 4.446 4.380 4.482 . 0 0 "[ . 1 . 2]" 1 616 1 37 MET H 1 102 LEU MD2 . . 5.500 5.307 5.004 5.497 . 0 0 "[ . 1 . 2]" 1 617 1 37 MET HA 1 37 MET ME . . 4.170 3.582 3.268 4.073 . 0 0 "[ . 1 . 2]" 1 618 1 37 MET HA 1 38 THR H . . 3.170 2.407 2.255 2.553 . 0 0 "[ . 1 . 2]" 1 619 1 37 MET HA 1 38 THR HB . . 4.970 4.763 4.661 4.888 . 0 0 "[ . 1 . 2]" 1 620 1 37 MET QB 1 37 MET ME . . 3.590 2.464 1.945 3.148 . 0 0 "[ . 1 . 2]" 1 621 1 37 MET QB 1 38 THR H . . 3.370 2.413 2.094 2.772 . 0 0 "[ . 1 . 2]" 1 622 1 37 MET QB 1 51 ASP H . . 3.980 3.067 2.642 3.681 . 0 0 "[ . 1 . 2]" 1 623 1 37 MET HB2 1 38 THR H . . 3.990 3.669 3.354 3.979 . 0 0 "[ . 1 . 2]" 1 624 1 37 MET HB3 1 38 THR H . . 3.990 2.449 2.110 2.829 . 0 0 "[ . 1 . 2]" 1 625 1 37 MET ME 1 37 MET HG2 . . 3.370 2.291 2.064 2.475 . 0 0 "[ . 1 . 2]" 1 626 1 37 MET ME 1 37 MET HG3 . . 3.580 3.294 3.071 3.399 . 0 0 "[ . 1 . 2]" 1 627 1 37 MET ME 1 50 LEU QB . . 3.700 2.377 1.916 3.120 . 0 0 "[ . 1 . 2]" 1 628 1 37 MET ME 1 51 ASP H . . 3.850 3.012 2.368 3.558 . 0 0 "[ . 1 . 2]" 1 629 1 37 MET ME 1 51 ASP HA . . 3.850 3.437 3.057 3.720 . 0 0 "[ . 1 . 2]" 1 630 1 37 MET ME 1 52 GLY H . . 3.420 3.071 2.483 3.413 . 0 0 "[ . 1 . 2]" 1 631 1 37 MET ME 1 52 GLY HA2 . . 4.230 3.595 3.197 4.029 . 0 0 "[ . 1 . 2]" 1 632 1 37 MET ME 1 52 GLY HA3 . . 3.940 2.206 1.904 2.679 . 0 0 "[ . 1 . 2]" 1 633 1 37 MET ME 1 53 ASP H . . 4.470 2.744 1.981 3.269 . 0 0 "[ . 1 . 2]" 1 634 1 37 MET ME 1 54 SER H . . 3.840 2.787 2.085 3.444 . 0 0 "[ . 1 . 2]" 1 635 1 37 MET ME 1 56 TYR H . . 4.410 3.809 3.310 4.343 . 0 0 "[ . 1 . 2]" 1 636 1 37 MET ME 1 56 TYR QD . . 3.570 2.703 2.103 3.551 . 0 0 "[ . 1 . 2]" 1 637 1 37 MET HG2 1 38 THR H . . 5.020 3.997 3.401 4.352 . 0 0 "[ . 1 . 2]" 1 638 1 37 MET HG2 1 52 GLY HA2 . . 4.490 3.835 3.329 4.310 . 0 0 "[ . 1 . 2]" 1 639 1 37 MET HG2 1 52 GLY HA3 . . 4.630 2.357 2.037 2.871 . 0 0 "[ . 1 . 2]" 1 640 1 37 MET HG3 1 38 THR H . . 5.210 4.900 4.553 5.183 . 0 0 "[ . 1 . 2]" 1 641 1 38 THR H 1 38 THR HB . . 3.500 2.652 2.494 2.774 . 0 0 "[ . 1 . 2]" 1 642 1 38 THR H 1 38 THR MG . . 3.970 3.854 3.790 3.906 . 0 0 "[ . 1 . 2]" 1 643 1 38 THR H 1 39 CYS H . . 4.610 4.423 4.318 4.573 . 0 0 "[ . 1 . 2]" 1 644 1 38 THR H 1 39 CYS HA . . 5.500 5.014 4.831 5.242 . 0 0 "[ . 1 . 2]" 1 645 1 38 THR H 1 50 LEU HA . . 5.090 4.166 3.821 4.463 . 0 0 "[ . 1 . 2]" 1 646 1 38 THR H 1 51 ASP HA . . 5.500 4.582 4.363 4.909 . 0 0 "[ . 1 . 2]" 1 647 1 38 THR H 1 51 ASP QB . . 4.330 3.014 2.565 3.786 . 0 0 "[ . 1 . 2]" 1 648 1 38 THR H 1 52 GLY HA2 . . 5.420 4.944 4.173 5.397 . 0 0 "[ . 1 . 2]" 1 649 1 38 THR HB 1 39 CYS H . . 4.200 4.082 3.770 4.202 0.002 19 0 "[ . 1 . 2]" 1 650 1 38 THR HB 1 51 ASP H . . 4.180 3.299 2.770 3.621 . 0 0 "[ . 1 . 2]" 1 651 1 38 THR HB 1 51 ASP QB . . 4.260 2.234 2.014 2.633 . 0 0 "[ . 1 . 2]" 1 652 1 38 THR MG 1 39 CYS H . . 3.770 2.404 1.893 2.826 . 0 0 "[ . 1 . 2]" 1 653 1 38 THR MG 1 40 ARG HB3 . . 4.210 3.186 2.982 3.519 . 0 0 "[ . 1 . 2]" 1 654 1 39 CYS H 1 39 CYS HB2 . . 3.950 2.661 2.397 2.995 . 0 0 "[ . 1 . 2]" 1 655 1 39 CYS H 1 39 CYS QB . . 3.460 2.520 2.364 2.759 . 0 0 "[ . 1 . 2]" 1 656 1 39 CYS H 1 39 CYS HB3 . . 3.950 3.370 2.760 3.870 . 0 0 "[ . 1 . 2]" 1 657 1 39 CYS HA 1 40 ARG H . . 3.130 2.150 2.139 2.211 . 0 0 "[ . 1 . 2]" 1 658 1 39 CYS HA 1 40 ARG HG2 . . 4.800 4.159 3.998 4.480 . 0 0 "[ . 1 . 2]" 1 659 1 39 CYS HA 1 50 LEU HA . . 3.900 3.059 2.658 3.479 . 0 0 "[ . 1 . 2]" 1 660 1 39 CYS HA 1 50 LEU MD2 . . 4.320 2.658 2.336 3.129 . 0 0 "[ . 1 . 2]" 1 661 1 39 CYS HA 1 50 LEU HG . . 5.100 4.785 4.508 5.028 . 0 0 "[ . 1 . 2]" 1 662 1 39 CYS QB 1 40 ARG H . . 3.940 3.466 2.917 3.860 . 0 0 "[ . 1 . 2]" 1 663 1 39 CYS QB 1 102 LEU MD1 . . 4.110 3.299 2.890 3.683 . 0 0 "[ . 1 . 2]" 1 664 1 39 CYS HB2 1 40 ARG H . . 4.780 4.334 4.079 4.554 . 0 0 "[ . 1 . 2]" 1 665 1 39 CYS HB2 1 50 LEU MD2 . . 4.250 3.644 2.522 4.251 0.001 7 0 "[ . 1 . 2]" 1 666 1 39 CYS HB2 1 102 LEU MD2 . . 4.760 3.909 3.231 4.482 . 0 0 "[ . 1 . 2]" 1 667 1 39 CYS HB3 1 40 ARG H . . 4.780 3.667 2.987 4.194 . 0 0 "[ . 1 . 2]" 1 668 1 39 CYS HB3 1 50 LEU MD2 . . 4.250 3.628 2.910 4.228 . 0 0 "[ . 1 . 2]" 1 669 1 39 CYS HB3 1 102 LEU MD2 . . 4.760 4.396 4.000 4.747 . 0 0 "[ . 1 . 2]" 1 670 1 40 ARG H 1 40 ARG HG2 . . 4.030 2.482 2.245 2.855 . 0 0 "[ . 1 . 2]" 1 671 1 40 ARG H 1 40 ARG HG3 . . 3.950 3.651 3.439 3.946 . 0 0 "[ . 1 . 2]" 1 672 1 40 ARG H 1 41 LEU H . . 4.850 4.417 4.382 4.464 . 0 0 "[ . 1 . 2]" 1 673 1 40 ARG H 1 41 LEU HA . . 5.290 4.754 4.661 4.893 . 0 0 "[ . 1 . 2]" 1 674 1 40 ARG H 1 48 LEU HA . . 5.500 4.651 4.334 4.928 . 0 0 "[ . 1 . 2]" 1 675 1 40 ARG H 1 48 LEU MD2 . . 4.280 3.680 3.246 4.094 . 0 0 "[ . 1 . 2]" 1 676 1 40 ARG H 1 49 PHE H . . 3.970 3.111 2.883 3.391 . 0 0 "[ . 1 . 2]" 1 677 1 40 ARG H 1 49 PHE HB2 . . 4.650 3.947 3.526 4.353 . 0 0 "[ . 1 . 2]" 1 678 1 40 ARG H 1 49 PHE HB3 . . 5.500 5.198 4.613 5.475 . 0 0 "[ . 1 . 2]" 1 679 1 40 ARG H 1 50 LEU HA . . 4.470 4.162 3.808 4.465 . 0 0 "[ . 1 . 2]" 1 680 1 40 ARG H 1 50 LEU MD2 . . 4.560 3.860 3.367 4.315 . 0 0 "[ . 1 . 2]" 1 681 1 40 ARG HA 1 41 LEU H . . 3.400 2.426 2.382 2.452 . 0 0 "[ . 1 . 2]" 1 682 1 40 ARG HA 1 118 TRP HE1 . . 3.850 2.343 1.907 2.851 . 0 0 "[ . 1 . 2]" 1 683 1 40 ARG HA 1 118 TRP HZ2 . . 4.440 3.324 2.908 3.846 . 0 0 "[ . 1 . 2]" 1 684 1 40 ARG HB2 1 40 ARG HD2 . . 4.120 2.893 2.464 3.735 . 0 0 "[ . 1 . 2]" 1 685 1 40 ARG HB2 1 40 ARG QD . . 3.580 2.657 2.402 3.211 . 0 0 "[ . 1 . 2]" 1 686 1 40 ARG HB2 1 40 ARG HD3 . . 4.120 3.349 2.518 3.867 . 0 0 "[ . 1 . 2]" 1 687 1 40 ARG HB2 1 41 LEU H . . 4.050 2.457 2.389 2.544 . 0 0 "[ . 1 . 2]" 1 688 1 40 ARG HB2 1 118 TRP HE1 . . 5.130 4.184 3.812 4.744 . 0 0 "[ . 1 . 2]" 1 689 1 40 ARG HB3 1 40 ARG HD2 . . 4.060 2.754 2.221 3.689 . 0 0 "[ . 1 . 2]" 1 690 1 40 ARG HB3 1 40 ARG HD3 . . 4.060 2.797 2.159 3.619 . 0 0 "[ . 1 . 2]" 1 691 1 40 ARG HB3 1 41 LEU H . . 4.000 3.844 3.756 3.922 . 0 0 "[ . 1 . 2]" 1 692 1 40 ARG HB3 1 118 TRP HE1 . . 5.200 4.542 3.958 5.037 . 0 0 "[ . 1 . 2]" 1 693 1 40 ARG HG2 1 41 LEU H . . 4.480 4.294 3.979 4.475 . 0 0 "[ . 1 . 2]" 1 694 1 40 ARG HG3 1 41 LEU H . . 4.400 3.369 2.986 4.394 . 0 0 "[ . 1 . 2]" 1 695 1 40 ARG HG3 1 49 PHE H . . 4.810 4.271 3.726 4.813 0.003 13 0 "[ . 1 . 2]" 1 696 1 40 ARG HG3 1 49 PHE HB2 . . 4.870 3.477 2.783 3.998 . 0 0 "[ . 1 . 2]" 1 697 1 41 LEU H 1 41 LEU HB2 . . 3.640 2.281 2.259 2.317 . 0 0 "[ . 1 . 2]" 1 698 1 41 LEU H 1 41 LEU HB3 . . 3.610 3.512 3.477 3.543 . 0 0 "[ . 1 . 2]" 1 699 1 41 LEU H 1 41 LEU MD1 . . 3.900 3.805 3.653 3.925 0.025 13 0 "[ . 1 . 2]" 1 700 1 41 LEU H 1 48 LEU MD2 . . 4.810 4.060 3.811 4.309 . 0 0 "[ . 1 . 2]" 1 701 1 41 LEU H 1 118 TRP HE1 . . 4.210 3.366 3.005 3.813 . 0 0 "[ . 1 . 2]" 1 702 1 41 LEU H 1 118 TRP HZ2 . . 4.790 4.364 3.947 4.762 . 0 0 "[ . 1 . 2]" 1 703 1 41 LEU HA 1 41 LEU MD1 . . 4.680 3.807 3.788 3.818 . 0 0 "[ . 1 . 2]" 1 704 1 41 LEU HA 1 41 LEU MD2 . . 3.550 2.354 2.154 2.565 . 0 0 "[ . 1 . 2]" 1 705 1 41 LEU HA 1 42 SER H . . 3.270 2.320 2.140 2.470 . 0 0 "[ . 1 . 2]" 1 706 1 41 LEU HA 1 48 LEU MD2 . . 3.880 2.543 2.250 3.034 . 0 0 "[ . 1 . 2]" 1 707 1 41 LEU HB2 1 41 LEU MD1 . . 3.620 2.153 2.017 2.280 . 0 0 "[ . 1 . 2]" 1 708 1 41 LEU HB2 1 41 LEU MD2 . . 3.440 3.153 3.123 3.177 . 0 0 "[ . 1 . 2]" 1 709 1 41 LEU HB2 1 42 SER H . . 4.500 4.037 3.774 4.458 . 0 0 "[ . 1 . 2]" 1 710 1 41 LEU HB2 1 48 LEU MD2 . . 5.100 4.036 3.858 4.242 . 0 0 "[ . 1 . 2]" 1 711 1 41 LEU HB3 1 41 LEU MD1 . . 3.640 2.546 2.453 2.650 . 0 0 "[ . 1 . 2]" 1 712 1 41 LEU HB3 1 42 SER H . . 4.680 2.759 2.336 3.515 . 0 0 "[ . 1 . 2]" 1 713 1 41 LEU HB3 1 48 LEU MD2 . . 4.800 4.125 3.852 4.456 . 0 0 "[ . 1 . 2]" 1 714 1 41 LEU MD1 1 45 GLN HA . . 4.160 3.458 3.198 3.678 . 0 0 "[ . 1 . 2]" 1 715 1 41 LEU MD1 1 45 GLN QB . . 3.920 2.383 1.875 3.456 . 0 0 "[ . 1 . 2]" 1 716 1 41 LEU MD1 1 45 GLN QE . . 4.360 3.595 2.211 4.368 0.008 6 0 "[ . 1 . 2]" 1 717 1 41 LEU MD1 1 45 GLN QG . . 3.610 2.830 2.069 3.622 0.012 13 0 "[ . 1 . 2]" 1 718 1 41 LEU MD1 1 118 TRP HE1 . . 4.980 3.857 3.199 4.454 . 0 0 "[ . 1 . 2]" 1 719 1 41 LEU MD1 1 122 MET ME . . 4.490 3.019 2.368 3.432 . 0 0 "[ . 1 . 2]" 1 720 1 41 LEU MD1 1 125 ALA MB . . 3.890 3.525 2.976 3.806 . 0 0 "[ . 1 . 2]" 1 721 1 41 LEU MD2 1 42 SER H . . 3.480 2.735 2.392 3.237 . 0 0 "[ . 1 . 2]" 1 722 1 41 LEU MD2 1 45 GLN H . . 4.080 4.050 3.855 4.089 0.009 10 0 "[ . 1 . 2]" 1 723 1 41 LEU MD2 1 45 GLN HA . . 3.600 2.049 1.971 2.389 . 0 0 "[ . 1 . 2]" 1 724 1 41 LEU MD2 1 45 GLN QB . . 3.500 2.378 1.910 3.467 . 0 0 "[ . 1 . 2]" 1 725 1 41 LEU MD2 1 45 GLN QG . . 4.140 3.440 3.004 4.119 . 0 0 "[ . 1 . 2]" 1 726 1 41 LEU MD2 1 46 ARG H . . 4.510 3.631 2.943 3.915 . 0 0 "[ . 1 . 2]" 1 727 1 41 LEU MD2 1 46 ARG HA . . 4.370 4.087 3.414 4.397 0.027 13 0 "[ . 1 . 2]" 1 728 1 41 LEU MD2 1 47 TYR H . . 4.030 3.114 2.873 3.709 . 0 0 "[ . 1 . 2]" 1 729 1 41 LEU MD2 1 48 LEU H . . 4.950 4.213 3.717 4.555 . 0 0 "[ . 1 . 2]" 1 730 1 41 LEU MD2 1 60 ILE MD . . 3.030 2.216 1.907 2.494 . 0 0 "[ . 1 . 2]" 1 731 1 41 LEU MD2 1 60 ILE HG12 . . 4.160 3.992 3.568 4.160 0.000 8 0 "[ . 1 . 2]" 1 732 1 41 LEU MD2 1 122 MET ME . . 3.050 2.586 1.952 3.055 0.005 11 0 "[ . 1 . 2]" 1 733 1 41 LEU HG 1 42 SER H . . 4.830 4.368 4.241 4.607 . 0 0 "[ . 1 . 2]" 1 734 1 41 LEU HG 1 45 GLN HA . . 4.540 4.454 4.320 4.572 0.032 14 0 "[ . 1 . 2]" 1 735 1 41 LEU HG 1 60 ILE MD . . 4.740 4.377 3.917 4.739 . 0 0 "[ . 1 . 2]" 1 736 1 41 LEU HG 1 122 MET ME . . 4.520 3.744 3.229 4.388 . 0 0 "[ . 1 . 2]" 1 737 1 42 SER H 1 42 SER HB2 . . 4.060 2.667 2.187 3.666 . 0 0 "[ . 1 . 2]" 1 738 1 42 SER H 1 42 SER QB . . 3.440 2.278 2.133 2.587 . 0 0 "[ . 1 . 2]" 1 739 1 42 SER H 1 42 SER HB3 . . 4.060 2.766 2.246 3.551 . 0 0 "[ . 1 . 2]" 1 740 1 42 SER H 1 47 TYR H . . 4.130 3.093 2.756 3.912 . 0 0 "[ . 1 . 2]" 1 741 1 42 SER H 1 47 TYR HB2 . . 5.270 4.351 3.720 4.618 . 0 0 "[ . 1 . 2]" 1 742 1 42 SER HA 1 49 PHE QE . . 4.370 3.321 2.010 4.377 0.007 18 0 "[ . 1 . 2]" 1 743 1 42 SER QB 1 43 ASN H . . 4.220 2.728 2.084 3.051 . 0 0 "[ . 1 . 2]" 1 744 1 42 SER QB 1 45 GLN H . . 4.560 3.210 2.577 4.528 . 0 0 "[ . 1 . 2]" 1 745 1 42 SER QB 1 46 ARG H . . 4.640 2.854 1.965 3.872 . 0 0 "[ . 1 . 2]" 1 746 1 42 SER QB 1 47 TYR H . . 4.130 2.748 2.189 3.668 . 0 0 "[ . 1 . 2]" 1 747 1 42 SER QB 1 47 TYR HB3 . . 4.720 4.250 3.476 4.726 0.006 18 0 "[ . 1 . 2]" 1 748 1 42 SER HB2 1 45 GLN H . . 5.200 4.324 3.402 5.011 . 0 0 "[ . 1 . 2]" 1 749 1 42 SER HB2 1 47 TYR HB2 . . 4.740 3.193 1.991 4.345 . 0 0 "[ . 1 . 2]" 1 750 1 42 SER HB2 1 49 PHE QE . . 4.580 2.873 2.006 4.187 . 0 0 "[ . 1 . 2]" 1 751 1 42 SER HB3 1 45 GLN H . . 5.200 3.433 2.611 5.162 . 0 0 "[ . 1 . 2]" 1 752 1 42 SER HB3 1 47 TYR HB2 . . 4.740 3.586 2.101 4.537 . 0 0 "[ . 1 . 2]" 1 753 1 42 SER HB3 1 49 PHE QE . . 4.580 3.702 2.467 4.489 . 0 0 "[ . 1 . 2]" 1 754 1 43 ASN H 1 43 ASN HB2 . . 4.060 2.720 2.179 3.600 . 0 0 "[ . 1 . 2]" 1 755 1 43 ASN H 1 43 ASN QB . . 3.530 2.404 2.129 2.712 . 0 0 "[ . 1 . 2]" 1 756 1 43 ASN H 1 43 ASN HB3 . . 4.060 3.104 2.529 3.592 . 0 0 "[ . 1 . 2]" 1 757 1 43 ASN H 1 45 GLN H . . 5.030 3.948 3.727 4.568 . 0 0 "[ . 1 . 2]" 1 758 1 43 ASN HA 1 45 GLN H . . 4.800 3.917 3.426 4.154 . 0 0 "[ . 1 . 2]" 1 759 1 43 ASN QB 1 45 GLN H . . 5.340 4.437 4.164 4.874 . 0 0 "[ . 1 . 2]" 1 760 1 44 ASN H 1 45 GLN H . . 4.340 2.535 2.253 2.754 . 0 0 "[ . 1 . 2]" 1 761 1 45 GLN H 1 45 GLN QB . . 3.780 3.287 2.940 3.436 . 0 0 "[ . 1 . 2]" 1 762 1 45 GLN H 1 45 GLN HG2 . . 4.090 3.480 2.397 4.111 0.021 17 0 "[ . 1 . 2]" 1 763 1 45 GLN H 1 45 GLN QG . . 3.570 2.666 2.379 3.166 . 0 0 "[ . 1 . 2]" 1 764 1 45 GLN H 1 45 GLN HG3 . . 4.090 2.980 2.532 4.087 . 0 0 "[ . 1 . 2]" 1 765 1 45 GLN H 1 46 ARG H . . 3.740 2.839 2.597 3.043 . 0 0 "[ . 1 . 2]" 1 766 1 45 GLN H 1 47 TYR H . . 4.480 4.303 3.990 4.520 0.040 13 0 "[ . 1 . 2]" 1 767 1 45 GLN HA 1 45 GLN QG . . 3.640 2.618 2.183 3.336 . 0 0 "[ . 1 . 2]" 1 768 1 45 GLN HA 1 47 TYR H . . 4.640 3.387 3.078 3.862 . 0 0 "[ . 1 . 2]" 1 769 1 45 GLN QB 1 46 ARG H . . 4.500 3.884 3.793 4.035 . 0 0 "[ . 1 . 2]" 1 770 1 46 ARG H 1 46 ARG HB2 . . 3.800 2.387 2.256 2.544 . 0 0 "[ . 1 . 2]" 1 771 1 46 ARG H 1 46 ARG QB . . 3.130 2.355 2.231 2.502 . 0 0 "[ . 1 . 2]" 1 772 1 46 ARG H 1 46 ARG HB3 . . 3.800 3.600 3.513 3.708 . 0 0 "[ . 1 . 2]" 1 773 1 46 ARG H 1 46 ARG HG2 . . 4.400 3.795 2.782 4.274 . 0 0 "[ . 1 . 2]" 1 774 1 46 ARG H 1 46 ARG QG . . 3.540 3.114 2.702 3.445 . 0 0 "[ . 1 . 2]" 1 775 1 46 ARG H 1 46 ARG HG3 . . 4.400 3.514 2.843 4.175 . 0 0 "[ . 1 . 2]" 1 776 1 46 ARG H 1 47 TYR H . . 3.330 2.077 1.800 2.368 . 0 0 "[ . 1 . 2]" 1 777 1 46 ARG H 1 47 TYR QD . . 4.150 3.665 3.278 3.982 . 0 0 "[ . 1 . 2]" 1 778 1 46 ARG HA 1 46 ARG HD2 . . 4.670 4.052 2.439 4.674 0.004 12 0 "[ . 1 . 2]" 1 779 1 46 ARG HA 1 46 ARG HD3 . . 4.670 3.891 2.250 4.667 . 0 0 "[ . 1 . 2]" 1 780 1 46 ARG HA 1 46 ARG HG2 . . 4.030 2.443 2.219 2.713 . 0 0 "[ . 1 . 2]" 1 781 1 46 ARG HA 1 46 ARG QG . . 3.530 2.355 2.177 2.656 . 0 0 "[ . 1 . 2]" 1 782 1 46 ARG HA 1 46 ARG HG3 . . 4.030 3.207 2.667 3.783 . 0 0 "[ . 1 . 2]" 1 783 1 46 ARG HA 1 60 ILE HB . . 5.030 4.213 3.536 5.030 . 15 0 "[ . 1 . 2]" 1 784 1 46 ARG HA 1 60 ILE MD . . 4.170 2.750 2.155 3.229 . 0 0 "[ . 1 . 2]" 1 785 1 46 ARG QB 1 47 TYR H . . 3.850 3.186 2.920 3.443 . 0 0 "[ . 1 . 2]" 1 786 1 46 ARG QB 1 47 TYR QE . . 4.060 2.763 2.079 3.415 . 0 0 "[ . 1 . 2]" 1 787 1 46 ARG HB2 1 46 ARG HD2 . . 3.970 3.229 2.255 4.055 0.085 16 0 "[ . 1 . 2]" 1 788 1 46 ARG HB2 1 46 ARG HD3 . . 3.970 3.367 2.463 4.189 0.219 14 0 "[ . 1 . 2]" 1 789 1 46 ARG HB2 1 47 TYR QD . . 4.070 2.829 2.042 3.630 . 0 0 "[ . 1 . 2]" 1 790 1 46 ARG HB2 1 47 TYR QE . . 4.730 3.248 2.594 3.842 . 0 0 "[ . 1 . 2]" 1 791 1 46 ARG HB3 1 46 ARG HD2 . . 3.970 2.870 2.149 3.713 . 0 0 "[ . 1 . 2]" 1 792 1 46 ARG HB3 1 46 ARG HD3 . . 3.970 2.878 2.073 3.662 . 0 0 "[ . 1 . 2]" 1 793 1 46 ARG HB3 1 47 TYR QD . . 4.070 3.266 2.351 4.000 . 0 0 "[ . 1 . 2]" 1 794 1 46 ARG HB3 1 47 TYR QE . . 4.730 3.051 2.163 3.825 . 0 0 "[ . 1 . 2]" 1 795 1 47 TYR H 1 47 TYR HB2 . . 3.690 2.876 2.517 3.112 . 0 0 "[ . 1 . 2]" 1 796 1 47 TYR H 1 47 TYR HB3 . . 4.060 3.901 3.699 4.014 . 0 0 "[ . 1 . 2]" 1 797 1 47 TYR H 1 47 TYR QD . . 3.700 3.137 2.733 3.501 . 0 0 "[ . 1 . 2]" 1 798 1 47 TYR H 1 48 LEU H . . 4.660 4.375 4.297 4.471 . 0 0 "[ . 1 . 2]" 1 799 1 47 TYR H 1 60 ILE MD . . 4.790 3.355 3.053 3.693 . 0 0 "[ . 1 . 2]" 1 800 1 47 TYR HA 1 47 TYR QD . . 4.120 2.915 2.575 3.188 . 0 0 "[ . 1 . 2]" 1 801 1 47 TYR HA 1 48 LEU H . . 3.310 2.301 2.208 2.475 . 0 0 "[ . 1 . 2]" 1 802 1 47 TYR HA 1 59 GLU HA . . 3.990 3.071 2.445 3.800 . 0 0 "[ . 1 . 2]" 1 803 1 47 TYR HA 1 60 ILE H . . 3.910 2.445 2.178 2.838 . 0 0 "[ . 1 . 2]" 1 804 1 47 TYR HA 1 60 ILE MD . . 4.730 3.038 2.382 3.506 . 0 0 "[ . 1 . 2]" 1 805 1 47 TYR HA 1 60 ILE HG12 . . 4.590 4.053 3.789 4.512 . 0 0 "[ . 1 . 2]" 1 806 1 47 TYR HB2 1 48 LEU H . . 4.300 3.768 3.240 4.035 . 0 0 "[ . 1 . 2]" 1 807 1 47 TYR HB2 1 49 PHE QD . . 4.410 4.311 3.974 4.426 0.016 13 0 "[ . 1 . 2]" 1 808 1 47 TYR HB2 1 49 PHE QE . . 4.340 2.721 2.319 3.878 . 0 0 "[ . 1 . 2]" 1 809 1 47 TYR HB3 1 48 LEU H . . 3.980 2.729 2.368 3.003 . 0 0 "[ . 1 . 2]" 1 810 1 47 TYR HB3 1 49 PHE QD . . 4.820 4.372 4.029 4.798 . 0 0 "[ . 1 . 2]" 1 811 1 47 TYR HB3 1 49 PHE QE . . 4.540 3.225 2.669 4.423 . 0 0 "[ . 1 . 2]" 1 812 1 47 TYR QD 1 48 LEU H . . 4.380 3.960 3.565 4.246 . 0 0 "[ . 1 . 2]" 1 813 1 47 TYR QD 1 59 GLU H . . 5.310 4.574 3.827 4.994 . 0 0 "[ . 1 . 2]" 1 814 1 47 TYR QD 1 59 GLU HA . . 3.870 2.223 2.019 2.533 . 0 0 "[ . 1 . 2]" 1 815 1 47 TYR QD 1 59 GLU HB2 . . 4.370 3.647 2.281 4.371 0.001 17 0 "[ . 1 . 2]" 1 816 1 47 TYR QD 1 59 GLU QB . . 3.820 2.567 1.895 3.506 . 0 0 "[ . 1 . 2]" 1 817 1 47 TYR QD 1 59 GLU HB3 . . 4.370 2.642 2.000 3.691 . 0 0 "[ . 1 . 2]" 1 818 1 47 TYR QD 1 59 GLU QG . . 4.290 2.816 1.914 4.217 . 0 0 "[ . 1 . 2]" 1 819 1 47 TYR QD 1 60 ILE H . . 4.760 3.061 2.235 3.736 . 0 0 "[ . 1 . 2]" 1 820 1 47 TYR QE 1 59 GLU QB . . 3.810 2.946 1.990 3.713 . 0 0 "[ . 1 . 2]" 1 821 1 47 TYR QE 1 59 GLU QG . . 4.110 3.213 1.996 4.059 . 0 0 "[ . 1 . 2]" 1 822 1 48 LEU H 1 48 LEU HB2 . . 3.770 2.390 2.249 2.516 . 0 0 "[ . 1 . 2]" 1 823 1 48 LEU H 1 48 LEU QB . . 3.300 2.358 2.224 2.476 . 0 0 "[ . 1 . 2]" 1 824 1 48 LEU H 1 48 LEU HB3 . . 3.770 3.616 3.503 3.698 . 0 0 "[ . 1 . 2]" 1 825 1 48 LEU H 1 48 LEU MD1 . . 4.600 3.917 3.699 4.138 . 0 0 "[ . 1 . 2]" 1 826 1 48 LEU H 1 48 LEU MD2 . . 4.680 4.049 3.812 4.205 . 0 0 "[ . 1 . 2]" 1 827 1 48 LEU H 1 48 LEU HG . . 4.660 3.151 2.821 3.422 . 0 0 "[ . 1 . 2]" 1 828 1 48 LEU H 1 49 PHE QD . . 5.400 4.609 4.064 5.268 . 0 0 "[ . 1 . 2]" 1 829 1 48 LEU H 1 59 GLU HA . . 4.200 3.019 2.591 3.514 . 0 0 "[ . 1 . 2]" 1 830 1 48 LEU H 1 60 ILE H . . 4.940 3.261 2.738 3.946 . 0 0 "[ . 1 . 2]" 1 831 1 48 LEU H 1 60 ILE MD . . 4.450 4.029 3.437 4.445 . 0 0 "[ . 1 . 2]" 1 832 1 48 LEU H 1 60 ILE HG13 . . 4.410 3.043 2.317 3.497 . 0 0 "[ . 1 . 2]" 1 833 1 48 LEU H 1 63 ILE MD . . 5.370 4.542 4.145 4.790 . 0 0 "[ . 1 . 2]" 1 834 1 48 LEU HA 1 48 LEU MD1 . . 4.070 3.858 3.813 3.920 . 0 0 "[ . 1 . 2]" 1 835 1 48 LEU HA 1 48 LEU MD2 . . 4.050 2.080 1.966 2.275 . 0 0 "[ . 1 . 2]" 1 836 1 48 LEU HA 1 49 PHE H . . 3.150 2.229 2.164 2.340 . 0 0 "[ . 1 . 2]" 1 837 1 48 LEU QB 1 48 LEU MD1 . . 3.160 2.038 2.004 2.072 . 0 0 "[ . 1 . 2]" 1 838 1 48 LEU QB 1 48 LEU MD2 . . 2.990 2.246 2.148 2.301 . 0 0 "[ . 1 . 2]" 1 839 1 48 LEU QB 1 58 ILE H . . 4.210 3.112 2.545 3.460 . 0 0 "[ . 1 . 2]" 1 840 1 48 LEU QB 1 58 ILE MD . . 3.850 3.554 3.238 3.852 0.002 4 0 "[ . 1 . 2]" 1 841 1 48 LEU HB2 1 48 LEU MD1 . . 3.610 2.189 2.100 2.337 . 0 0 "[ . 1 . 2]" 1 842 1 48 LEU HB2 1 48 LEU MD2 . . 3.490 3.181 3.167 3.193 . 0 0 "[ . 1 . 2]" 1 843 1 48 LEU HB2 1 49 PHE H . . 4.270 4.098 3.764 4.258 . 0 0 "[ . 1 . 2]" 1 844 1 48 LEU HB3 1 48 LEU MD1 . . 3.610 2.446 2.315 2.573 . 0 0 "[ . 1 . 2]" 1 845 1 48 LEU HB3 1 48 LEU MD2 . . 3.490 2.297 2.184 2.362 . 0 0 "[ . 1 . 2]" 1 846 1 48 LEU HB3 1 49 PHE H . . 4.270 2.942 2.589 3.205 . 0 0 "[ . 1 . 2]" 1 847 1 48 LEU MD1 1 49 PHE H . . 4.980 4.793 4.483 4.990 0.010 13 0 "[ . 1 . 2]" 1 848 1 48 LEU MD1 1 58 ILE MD . . 3.980 3.437 2.884 3.956 . 0 0 "[ . 1 . 2]" 1 849 1 48 LEU MD1 1 60 ILE MD . . 4.010 3.406 2.878 3.943 . 0 0 "[ . 1 . 2]" 1 850 1 48 LEU MD1 1 60 ILE HG12 . . 4.150 2.779 2.353 3.266 . 0 0 "[ . 1 . 2]" 1 851 1 48 LEU MD1 1 63 ILE MD . . 3.220 2.342 2.092 2.572 . 0 0 "[ . 1 . 2]" 1 852 1 48 LEU MD1 1 63 ILE HG13 . . 4.990 4.506 4.188 4.874 . 0 0 "[ . 1 . 2]" 1 853 1 48 LEU MD1 1 118 TRP HH2 . . 3.660 3.041 2.411 3.426 . 0 0 "[ . 1 . 2]" 1 854 1 48 LEU MD1 1 118 TRP HZ2 . . 4.080 3.994 3.496 4.086 0.006 8 0 "[ . 1 . 2]" 1 855 1 48 LEU MD1 1 122 MET ME . . 2.950 2.176 1.836 2.735 . 0 0 "[ . 1 . 2]" 1 856 1 48 LEU MD1 1 122 MET HG2 . . 4.790 3.842 3.252 4.602 . 0 0 "[ . 1 . 2]" 1 857 1 48 LEU MD1 1 122 MET QG . . 4.140 3.507 3.036 3.975 . 0 0 "[ . 1 . 2]" 1 858 1 48 LEU MD1 1 122 MET HG3 . . 4.790 4.176 3.199 4.710 . 0 0 "[ . 1 . 2]" 1 859 1 48 LEU MD2 1 49 PHE H . . 3.960 3.037 2.493 3.398 . 0 0 "[ . 1 . 2]" 1 860 1 48 LEU MD2 1 60 ILE MD . . 3.610 3.541 3.327 3.611 0.001 13 0 "[ . 1 . 2]" 1 861 1 48 LEU MD2 1 118 TRP HH2 . . 3.850 2.726 2.298 3.127 . 0 0 "[ . 1 . 2]" 1 862 1 48 LEU MD2 1 118 TRP HZ2 . . 3.830 2.365 2.024 2.570 . 0 0 "[ . 1 . 2]" 1 863 1 48 LEU MD2 1 122 MET ME . . 3.520 2.656 2.105 3.185 . 0 0 "[ . 1 . 2]" 1 864 1 48 LEU HG 1 60 ILE MD . . 3.720 2.818 2.383 3.218 . 0 0 "[ . 1 . 2]" 1 865 1 48 LEU HG 1 122 MET ME . . 4.400 3.025 2.145 3.949 . 0 0 "[ . 1 . 2]" 1 866 1 49 PHE H 1 49 PHE HB2 . . 3.830 2.686 2.445 2.813 . 0 0 "[ . 1 . 2]" 1 867 1 49 PHE H 1 49 PHE HB3 . . 3.990 3.785 3.608 3.866 . 0 0 "[ . 1 . 2]" 1 868 1 49 PHE H 1 49 PHE QD . . 4.500 3.317 2.749 3.644 . 0 0 "[ . 1 . 2]" 1 869 1 49 PHE HA 1 49 PHE QD . . 3.460 2.492 1.998 3.111 . 0 0 "[ . 1 . 2]" 1 870 1 49 PHE HA 1 49 PHE QE . . 4.690 4.497 4.314 4.706 0.016 18 0 "[ . 1 . 2]" 1 871 1 49 PHE HA 1 50 LEU H . . 3.110 2.273 2.176 2.381 . 0 0 "[ . 1 . 2]" 1 872 1 49 PHE HA 1 50 LEU MD1 . . 5.110 4.712 4.486 4.999 . 0 0 "[ . 1 . 2]" 1 873 1 49 PHE HA 1 57 GLU HA . . 4.190 2.305 2.002 2.677 . 0 0 "[ . 1 . 2]" 1 874 1 49 PHE HA 1 58 ILE H . . 4.670 3.239 2.784 3.787 . 0 0 "[ . 1 . 2]" 1 875 1 49 PHE HB2 1 50 LEU H . . 4.430 3.876 3.519 4.114 . 0 0 "[ . 1 . 2]" 1 876 1 49 PHE HB3 1 50 LEU H . . 4.140 2.802 2.531 3.151 . 0 0 "[ . 1 . 2]" 1 877 1 49 PHE QD 1 50 LEU H . . 4.120 3.810 2.901 4.103 . 0 0 "[ . 1 . 2]" 1 878 1 49 PHE QD 1 57 GLU HA . . 3.940 3.389 2.912 3.930 . 0 0 "[ . 1 . 2]" 1 879 1 49 PHE QD 1 57 GLU QB . . 3.530 2.495 1.993 3.462 . 0 0 "[ . 1 . 2]" 1 880 1 49 PHE QD 1 57 GLU QG . . 4.130 3.188 1.871 4.124 . 0 0 "[ . 1 . 2]" 1 881 1 49 PHE QD 1 58 ILE H . . 5.040 4.454 3.808 5.045 0.005 17 0 "[ . 1 . 2]" 1 882 1 49 PHE QE 1 57 GLU QB . . 3.930 3.185 2.227 3.810 . 0 0 "[ . 1 . 2]" 1 883 1 49 PHE QE 1 57 GLU QG . . 4.540 3.591 2.428 4.488 . 0 0 "[ . 1 . 2]" 1 884 1 50 LEU H 1 50 LEU HB2 . . 4.030 2.747 2.610 2.881 . 0 0 "[ . 1 . 2]" 1 885 1 50 LEU H 1 50 LEU QB . . 3.490 2.687 2.563 2.809 . 0 0 "[ . 1 . 2]" 1 886 1 50 LEU H 1 50 LEU HB3 . . 4.030 3.809 3.715 3.901 . 0 0 "[ . 1 . 2]" 1 887 1 50 LEU H 1 50 LEU MD1 . . 4.210 3.914 3.700 4.163 . 0 0 "[ . 1 . 2]" 1 888 1 50 LEU H 1 50 LEU MD2 . . 4.530 3.768 3.539 3.975 . 0 0 "[ . 1 . 2]" 1 889 1 50 LEU H 1 50 LEU HG . . 3.940 2.783 2.554 3.001 . 0 0 "[ . 1 . 2]" 1 890 1 50 LEU H 1 51 ASP H . . 5.130 4.439 4.199 4.535 . 0 0 "[ . 1 . 2]" 1 891 1 50 LEU H 1 56 TYR H . . 3.930 3.757 3.279 3.923 . 0 0 "[ . 1 . 2]" 1 892 1 50 LEU H 1 56 TYR HB2 . . 4.460 4.207 3.837 4.457 . 0 0 "[ . 1 . 2]" 1 893 1 50 LEU H 1 56 TYR HB3 . . 4.600 4.362 3.926 4.581 . 0 0 "[ . 1 . 2]" 1 894 1 50 LEU H 1 57 GLU HA . . 4.230 2.977 2.326 3.416 . 0 0 "[ . 1 . 2]" 1 895 1 50 LEU HA 1 50 LEU MD1 . . 4.350 3.938 3.861 3.985 . 0 0 "[ . 1 . 2]" 1 896 1 50 LEU HA 1 50 LEU MD2 . . 3.830 2.310 2.005 2.533 . 0 0 "[ . 1 . 2]" 1 897 1 50 LEU HA 1 50 LEU HG . . 4.150 3.164 3.028 3.324 . 0 0 "[ . 1 . 2]" 1 898 1 50 LEU HA 1 51 ASP H . . 3.400 2.289 2.139 2.372 . 0 0 "[ . 1 . 2]" 1 899 1 50 LEU QB 1 51 ASP H . . 4.070 2.689 2.459 3.296 . 0 0 "[ . 1 . 2]" 1 900 1 50 LEU QB 1 56 TYR H . . 4.210 3.057 2.516 3.507 . 0 0 "[ . 1 . 2]" 1 901 1 50 LEU QB 1 56 TYR HB2 . . 3.950 2.088 1.989 2.304 . 0 0 "[ . 1 . 2]" 1 902 1 50 LEU QB 1 56 TYR HB3 . . 4.210 2.719 2.400 3.401 . 0 0 "[ . 1 . 2]" 1 903 1 50 LEU QB 1 56 TYR QD . . 4.150 3.826 3.546 4.152 0.002 7 0 "[ . 1 . 2]" 1 904 1 50 LEU HB2 1 50 LEU MD2 . . 3.550 3.170 3.148 3.191 . 0 0 "[ . 1 . 2]" 1 905 1 50 LEU HB2 1 51 ASP H . . 4.710 3.713 3.427 4.186 . 0 0 "[ . 1 . 2]" 1 906 1 50 LEU HB2 1 56 TYR HB2 . . 4.660 2.108 2.003 2.323 . 0 0 "[ . 1 . 2]" 1 907 1 50 LEU HB3 1 50 LEU MD2 . . 3.550 2.216 2.100 2.357 . 0 0 "[ . 1 . 2]" 1 908 1 50 LEU HB3 1 51 ASP H . . 4.710 2.762 2.507 3.449 . 0 0 "[ . 1 . 2]" 1 909 1 50 LEU HB3 1 56 TYR HB2 . . 4.660 3.404 3.116 3.832 . 0 0 "[ . 1 . 2]" 1 910 1 50 LEU MD1 1 56 TYR H . . 4.810 4.395 3.845 4.742 . 0 0 "[ . 1 . 2]" 1 911 1 50 LEU MD1 1 56 TYR HB2 . . 3.900 2.585 2.121 2.946 . 0 0 "[ . 1 . 2]" 1 912 1 50 LEU MD1 1 56 TYR HB3 . . 3.800 2.077 1.842 2.472 . 0 0 "[ . 1 . 2]" 1 913 1 50 LEU MD1 1 56 TYR QD . . 3.760 3.396 2.908 3.748 . 0 0 "[ . 1 . 2]" 1 914 1 50 LEU MD1 1 57 GLU HA . . 4.700 3.818 3.180 4.338 . 0 0 "[ . 1 . 2]" 1 915 1 50 LEU MD1 1 58 ILE H . . 4.610 3.913 3.592 4.380 . 0 0 "[ . 1 . 2]" 1 916 1 50 LEU MD1 1 58 ILE MD . . 3.190 2.041 1.796 2.488 . 0 0 "[ . 1 . 2]" 1 917 1 50 LEU MD1 1 58 ILE HG12 . . 4.050 3.601 3.073 4.037 . 0 0 "[ . 1 . 2]" 1 918 1 50 LEU MD1 1 58 ILE HG13 . . 3.980 2.495 1.986 3.049 . 0 0 "[ . 1 . 2]" 1 919 1 50 LEU MD1 1 100 LEU MD1 . . 3.350 2.967 2.599 3.351 0.001 8 0 "[ . 1 . 2]" 1 920 1 50 LEU MD1 1 100 LEU MD2 . . 3.070 2.654 2.154 2.974 . 0 0 "[ . 1 . 2]" 1 921 1 50 LEU MD2 1 51 ASP H . . 4.840 3.643 3.391 3.862 . 0 0 "[ . 1 . 2]" 1 922 1 50 LEU MD2 1 100 LEU MD2 . . 2.940 2.812 2.673 2.921 . 0 0 "[ . 1 . 2]" 1 923 1 50 LEU HG 1 51 ASP H . . 5.500 5.021 4.885 5.258 . 0 0 "[ . 1 . 2]" 1 924 1 50 LEU HG 1 56 TYR H . . 5.500 5.152 4.511 5.468 . 0 0 "[ . 1 . 2]" 1 925 1 50 LEU HG 1 56 TYR HB2 . . 4.630 4.103 3.546 4.434 . 0 0 "[ . 1 . 2]" 1 926 1 50 LEU HG 1 56 TYR HB3 . . 3.710 3.620 3.413 3.710 0.000 15 0 "[ . 1 . 2]" 1 927 1 50 LEU HG 1 57 GLU HA . . 4.530 3.273 2.644 3.816 . 0 0 "[ . 1 . 2]" 1 928 1 51 ASP H 1 51 ASP QB . . 3.630 2.659 2.409 3.056 . 0 0 "[ . 1 . 2]" 1 929 1 51 ASP H 1 52 GLY H . . 4.480 4.270 4.004 4.475 . 0 0 "[ . 1 . 2]" 1 930 1 51 ASP HA 1 52 GLY H . . 2.940 2.175 2.142 2.236 . 0 0 "[ . 1 . 2]" 1 931 1 51 ASP HA 1 54 SER H . . 5.330 5.178 4.883 5.327 . 0 0 "[ . 1 . 2]" 1 932 1 51 ASP HA 1 55 HIS HA . . 4.050 3.733 3.180 4.019 . 0 0 "[ . 1 . 2]" 1 933 1 51 ASP HA 1 56 TYR H . . 4.290 3.939 3.719 4.259 . 0 0 "[ . 1 . 2]" 1 934 1 51 ASP QB 1 52 GLY H . . 3.630 3.463 3.108 3.630 0.000 19 0 "[ . 1 . 2]" 1 935 1 51 ASP HB2 1 52 GLY H . . 4.430 4.243 3.884 4.402 . 0 0 "[ . 1 . 2]" 1 936 1 51 ASP HB3 1 52 GLY H . . 4.430 3.705 3.188 4.361 . 0 0 "[ . 1 . 2]" 1 937 1 52 GLY H 1 53 ASP H . . 4.340 4.120 3.883 4.344 0.004 13 0 "[ . 1 . 2]" 1 938 1 52 GLY H 1 54 SER HA . . 4.860 4.695 4.438 4.841 . 0 0 "[ . 1 . 2]" 1 939 1 52 GLY H 1 55 HIS HA . . 4.520 4.254 3.781 4.522 0.002 7 0 "[ . 1 . 2]" 1 940 1 52 GLY HA2 1 54 SER H . . 4.870 4.655 4.292 4.871 0.001 20 0 "[ . 1 . 2]" 1 941 1 52 GLY HA3 1 54 SER H . . 4.060 3.823 3.419 4.019 . 0 0 "[ . 1 . 2]" 1 942 1 53 ASP H 1 53 ASP HB2 . . 4.170 2.731 2.225 3.614 . 0 0 "[ . 1 . 2]" 1 943 1 53 ASP H 1 53 ASP QB . . 3.610 2.397 2.166 2.800 . 0 0 "[ . 1 . 2]" 1 944 1 53 ASP H 1 53 ASP HB3 . . 4.170 3.111 2.219 3.624 . 0 0 "[ . 1 . 2]" 1 945 1 53 ASP H 1 54 SER H . . 3.320 2.965 2.734 3.078 . 0 0 "[ . 1 . 2]" 1 946 1 53 ASP QB 1 54 SER H . . 3.360 2.741 2.425 3.311 . 0 0 "[ . 1 . 2]" 1 947 1 53 ASP HB2 1 54 SER H . . 4.080 3.185 2.485 4.069 . 0 0 "[ . 1 . 2]" 1 948 1 53 ASP HB3 1 54 SER H . . 4.080 3.348 2.465 4.022 . 0 0 "[ . 1 . 2]" 1 949 1 54 SER H 1 54 SER QB . . 3.370 2.800 2.677 3.212 . 0 0 "[ . 1 . 2]" 1 950 1 54 SER H 1 55 HIS H . . 4.530 4.380 4.300 4.399 . 0 0 "[ . 1 . 2]" 1 951 1 54 SER HA 1 55 HIS H . . 3.030 2.461 2.228 2.601 . 0 0 "[ . 1 . 2]" 1 952 1 54 SER QB 1 55 HIS H . . 3.180 2.490 2.006 3.181 0.001 3 0 "[ . 1 . 2]" 1 953 1 54 SER QB 1 56 TYR QE . . 3.910 2.639 1.986 3.747 . 0 0 "[ . 1 . 2]" 1 954 1 55 HIS H 1 55 HIS QB . . 3.160 2.382 2.128 2.855 . 0 0 "[ . 1 . 2]" 1 955 1 55 HIS H 1 55 HIS HD2 . . 4.380 3.128 2.092 4.425 0.045 7 0 "[ . 1 . 2]" 1 956 1 55 HIS H 1 56 TYR H . . 4.640 4.300 3.992 4.528 . 0 0 "[ . 1 . 2]" 1 957 1 55 HIS HA 1 56 TYR H . . 3.130 2.182 2.140 2.291 . 0 0 "[ . 1 . 2]" 1 958 1 55 HIS QB 1 56 TYR H . . 3.990 3.589 3.208 3.876 . 0 0 "[ . 1 . 2]" 1 959 1 56 TYR H 1 56 TYR HB2 . . 3.970 2.421 2.246 2.773 . 0 0 "[ . 1 . 2]" 1 960 1 56 TYR H 1 56 TYR QD . . 3.980 3.463 2.999 3.964 . 0 0 "[ . 1 . 2]" 1 961 1 56 TYR H 1 57 GLU H . . 4.570 4.492 4.373 4.562 . 0 0 "[ . 1 . 2]" 1 962 1 56 TYR HA 1 56 TYR QD . . 3.950 2.660 2.192 3.051 . 0 0 "[ . 1 . 2]" 1 963 1 56 TYR HA 1 57 GLU H . . 3.160 2.302 2.236 2.460 . 0 0 "[ . 1 . 2]" 1 964 1 56 TYR HB2 1 57 GLU H . . 4.320 4.054 3.780 4.176 . 0 0 "[ . 1 . 2]" 1 965 1 56 TYR HB3 1 57 GLU H . . 3.710 2.775 2.359 2.971 . 0 0 "[ . 1 . 2]" 1 966 1 56 TYR HB3 1 57 GLU HA . . 4.100 4.062 3.987 4.106 0.006 7 0 "[ . 1 . 2]" 1 967 1 56 TYR QD 1 57 GLU H . . 4.170 3.056 2.718 3.710 . 0 0 "[ . 1 . 2]" 1 968 1 57 GLU H 1 57 GLU QB . . 3.550 2.938 2.622 3.295 . 0 0 "[ . 1 . 2]" 1 969 1 57 GLU H 1 57 GLU QG . . 3.750 3.237 2.410 3.782 0.032 13 0 "[ . 1 . 2]" 1 970 1 57 GLU H 1 58 ILE H . . 4.440 4.131 3.979 4.339 . 0 0 "[ . 1 . 2]" 1 971 1 57 GLU HA 1 58 ILE H . . 3.180 2.162 2.139 2.276 . 0 0 "[ . 1 . 2]" 1 972 1 57 GLU QB 1 58 ILE H . . 3.910 3.281 2.699 3.821 . 0 0 "[ . 1 . 2]" 1 973 1 57 GLU QB 1 58 ILE HA . . 4.950 4.486 4.214 4.927 . 0 0 "[ . 1 . 2]" 1 974 1 57 GLU QG 1 58 ILE H . . 4.610 3.920 2.760 4.502 . 0 0 "[ . 1 . 2]" 1 975 1 58 ILE H 1 58 ILE HB . . 3.650 2.585 2.492 2.722 . 0 0 "[ . 1 . 2]" 1 976 1 58 ILE H 1 58 ILE MD . . 4.320 3.661 3.486 3.994 . 0 0 "[ . 1 . 2]" 1 977 1 58 ILE H 1 58 ILE HG12 . . 4.220 4.049 3.806 4.210 . 0 0 "[ . 1 . 2]" 1 978 1 58 ILE H 1 58 ILE HG13 . . 4.050 2.730 2.552 2.888 . 0 0 "[ . 1 . 2]" 1 979 1 58 ILE H 1 58 ILE MG . . 4.220 3.824 3.784 3.886 . 0 0 "[ . 1 . 2]" 1 980 1 58 ILE HA 1 58 ILE MD . . 4.240 3.875 3.797 3.925 . 0 0 "[ . 1 . 2]" 1 981 1 58 ILE HA 1 58 ILE HG12 . . 4.020 2.712 2.479 2.867 . 0 0 "[ . 1 . 2]" 1 982 1 58 ILE HA 1 58 ILE HG13 . . 4.180 2.801 2.662 3.066 . 0 0 "[ . 1 . 2]" 1 983 1 58 ILE HA 1 58 ILE MG . . 3.600 2.419 2.337 2.473 . 0 0 "[ . 1 . 2]" 1 984 1 58 ILE HA 1 59 GLU H . . 3.140 2.183 2.148 2.191 . 0 0 "[ . 1 . 2]" 1 985 1 58 ILE HA 1 59 GLU QG . . 5.320 4.379 3.693 5.083 . 0 0 "[ . 1 . 2]" 1 986 1 58 ILE HB 1 58 ILE MD . . 3.440 2.257 2.146 2.396 . 0 0 "[ . 1 . 2]" 1 987 1 58 ILE HB 1 59 GLU H . . 4.700 4.421 4.322 4.453 . 0 0 "[ . 1 . 2]" 1 988 1 58 ILE MD 1 89 TYR QD . . 4.340 3.376 2.990 4.051 . 0 0 "[ . 1 . 2]" 1 989 1 58 ILE MD 1 89 TYR QE . . 3.810 2.280 1.975 2.883 . 0 0 "[ . 1 . 2]" 1 990 1 58 ILE HG12 1 58 ILE MG . . 3.550 2.132 2.038 2.338 . 0 0 "[ . 1 . 2]" 1 991 1 58 ILE HG12 1 59 GLU H . . 5.040 4.792 4.609 4.906 . 0 0 "[ . 1 . 2]" 1 992 1 58 ILE HG12 1 89 TYR QD . . 4.710 3.923 3.432 4.312 . 0 0 "[ . 1 . 2]" 1 993 1 58 ILE HG13 1 59 GLU H . . 5.160 4.921 4.810 5.157 . 0 0 "[ . 1 . 2]" 1 994 1 58 ILE MG 1 59 GLU H . . 3.790 3.075 2.779 3.238 . 0 0 "[ . 1 . 2]" 1 995 1 58 ILE MG 1 60 ILE HA . . 4.780 3.797 3.320 4.159 . 0 0 "[ . 1 . 2]" 1 996 1 58 ILE MG 1 63 ILE H . . 4.970 3.840 3.647 4.076 . 0 0 "[ . 1 . 2]" 1 997 1 58 ILE MG 1 63 ILE MD . . 3.620 2.082 1.809 2.432 . 0 0 "[ . 1 . 2]" 1 998 1 58 ILE MG 1 63 ILE HG12 . . 3.770 2.435 2.316 2.641 . 0 0 "[ . 1 . 2]" 1 999 1 58 ILE MG 1 63 ILE HG13 . . 3.880 2.664 2.408 3.395 . 0 0 "[ . 1 . 2]" 1 1000 1 58 ILE MG 1 63 ILE MG . . 3.780 3.776 3.753 3.802 0.022 4 0 "[ . 1 . 2]" 1 1001 1 58 ILE MG 1 89 TYR QB . . 4.140 2.808 2.339 3.086 . 0 0 "[ . 1 . 2]" 1 1002 1 58 ILE MG 1 89 TYR QD . . 4.060 2.500 2.173 2.801 . 0 0 "[ . 1 . 2]" 1 1003 1 58 ILE MG 1 89 TYR QE . . 4.440 3.164 2.897 3.555 . 0 0 "[ . 1 . 2]" 1 1004 1 59 GLU H 1 59 GLU HB2 . . 4.050 2.703 2.178 3.593 . 0 0 "[ . 1 . 2]" 1 1005 1 59 GLU H 1 59 GLU QB . . 3.360 2.425 2.157 2.852 . 0 0 "[ . 1 . 2]" 1 1006 1 59 GLU H 1 59 GLU HB3 . . 4.050 3.331 2.600 3.632 . 0 0 "[ . 1 . 2]" 1 1007 1 59 GLU H 1 59 GLU QG . . 3.400 2.638 1.992 3.344 . 0 0 "[ . 1 . 2]" 1 1008 1 59 GLU H 1 63 ILE MD . . 5.150 5.050 4.917 5.147 . 0 0 "[ . 1 . 2]" 1 1009 1 59 GLU HA 1 60 ILE H . . 3.330 2.162 2.139 2.308 . 0 0 "[ . 1 . 2]" 1 1010 1 59 GLU HA 1 60 ILE HA . . 4.760 4.375 4.326 4.462 . 0 0 "[ . 1 . 2]" 1 1011 1 59 GLU HA 1 60 ILE HB . . 5.430 4.636 4.540 4.760 . 0 0 "[ . 1 . 2]" 1 1012 1 59 GLU HA 1 60 ILE HG12 . . 5.340 5.132 4.736 5.312 . 0 0 "[ . 1 . 2]" 1 1013 1 59 GLU HA 1 60 ILE HG13 . . 4.370 3.813 3.659 4.003 . 0 0 "[ . 1 . 2]" 1 1014 1 59 GLU QB 1 60 ILE H . . 3.820 3.264 2.615 3.685 . 0 0 "[ . 1 . 2]" 1 1015 1 59 GLU QB 1 61 VAL H . . 3.820 2.760 2.355 3.520 . 0 0 "[ . 1 . 2]" 1 1016 1 59 GLU QB 1 61 VAL QG . . 3.140 1.903 1.756 2.097 . 0 0 "[ . 1 . 2]" 1 1017 1 59 GLU QB 1 62 HIS H . . 3.790 3.013 2.565 3.488 . 0 0 "[ . 1 . 2]" 1 1018 1 59 GLU QB 1 62 HIS HD2 . . 4.000 2.802 1.909 3.889 . 0 0 "[ . 1 . 2]" 1 1019 1 59 GLU HB2 1 60 ILE H . . 4.680 4.026 3.133 4.583 . 0 0 "[ . 1 . 2]" 1 1020 1 59 GLU HB2 1 61 VAL MG1 . . 5.110 4.316 3.007 5.110 . 0 0 "[ . 1 . 2]" 1 1021 1 59 GLU HB2 1 61 VAL MG2 . . 5.110 2.554 1.809 3.449 . 0 0 "[ . 1 . 2]" 1 1022 1 59 GLU HB2 1 62 HIS HD2 . . 4.640 2.972 2.051 4.270 . 0 0 "[ . 1 . 2]" 1 1023 1 59 GLU HB3 1 60 ILE H . . 4.680 3.621 2.661 4.247 . 0 0 "[ . 1 . 2]" 1 1024 1 59 GLU HB3 1 61 VAL MG1 . . 5.110 3.744 2.714 5.003 . 0 0 "[ . 1 . 2]" 1 1025 1 59 GLU HB3 1 61 VAL MG2 . . 5.110 2.351 1.783 3.433 . 0 0 "[ . 1 . 2]" 1 1026 1 59 GLU HB3 1 62 HIS HD2 . . 4.640 3.711 2.215 4.618 . 0 0 "[ . 1 . 2]" 1 1027 1 59 GLU QG 1 60 ILE H . . 4.580 4.153 3.835 4.599 0.019 10 0 "[ . 1 . 2]" 1 1028 1 59 GLU QG 1 61 VAL H . . 4.490 4.191 3.506 4.497 0.007 15 0 "[ . 1 . 2]" 1 1029 1 59 GLU QG 1 61 VAL QG . . 3.820 2.777 1.883 3.420 . 0 0 "[ . 1 . 2]" 1 1030 1 60 ILE H 1 60 ILE HB . . 3.630 2.560 2.396 2.670 . 0 0 "[ . 1 . 2]" 1 1031 1 60 ILE H 1 60 ILE MD . . 4.260 3.556 3.365 3.856 . 0 0 "[ . 1 . 2]" 1 1032 1 60 ILE H 1 60 ILE HG12 . . 3.780 3.334 3.005 3.690 . 0 0 "[ . 1 . 2]" 1 1033 1 60 ILE H 1 60 ILE HG13 . . 3.870 2.079 1.921 2.564 . 0 0 "[ . 1 . 2]" 1 1034 1 60 ILE H 1 60 ILE MG . . 4.150 3.762 3.739 3.773 . 0 0 "[ . 1 . 2]" 1 1035 1 60 ILE H 1 61 VAL H . . 4.200 2.715 2.379 3.015 . 0 0 "[ . 1 . 2]" 1 1036 1 60 ILE H 1 63 ILE MD . . 4.610 3.857 3.666 4.155 . 0 0 "[ . 1 . 2]" 1 1037 1 60 ILE HA 1 60 ILE MD . . 3.910 3.825 3.754 3.872 . 0 0 "[ . 1 . 2]" 1 1038 1 60 ILE HA 1 60 ILE HG12 . . 4.240 2.531 2.403 2.640 . 0 0 "[ . 1 . 2]" 1 1039 1 60 ILE HA 1 60 ILE HG13 . . 4.030 2.995 2.860 3.208 . 0 0 "[ . 1 . 2]" 1 1040 1 60 ILE HA 1 60 ILE MG . . 3.580 2.371 2.276 2.469 . 0 0 "[ . 1 . 2]" 1 1041 1 60 ILE HA 1 62 HIS H . . 4.570 3.827 3.555 4.355 . 0 0 "[ . 1 . 2]" 1 1042 1 60 ILE HA 1 63 ILE H . . 4.370 3.124 2.948 3.600 . 0 0 "[ . 1 . 2]" 1 1043 1 60 ILE HA 1 63 ILE HB . . 4.530 2.799 2.597 3.306 . 0 0 "[ . 1 . 2]" 1 1044 1 60 ILE HA 1 63 ILE MD . . 3.500 2.108 1.942 2.349 . 0 0 "[ . 1 . 2]" 1 1045 1 60 ILE HA 1 63 ILE HG13 . . 4.050 2.225 1.967 2.563 . 0 0 "[ . 1 . 2]" 1 1046 1 60 ILE HA 1 63 ILE MG . . 4.040 3.990 3.875 4.118 0.078 4 0 "[ . 1 . 2]" 1 1047 1 60 ILE HB 1 60 ILE MD . . 3.670 2.379 2.296 2.508 . 0 0 "[ . 1 . 2]" 1 1048 1 60 ILE HB 1 61 VAL H . . 4.070 2.898 2.380 3.379 . 0 0 "[ . 1 . 2]" 1 1049 1 60 ILE HB 1 61 VAL HA . . 4.960 4.278 4.133 4.470 . 0 0 "[ . 1 . 2]" 1 1050 1 60 ILE HB 1 129 LEU MD1 . . 3.810 3.666 3.348 3.811 0.001 8 0 "[ . 1 . 2]" 1 1051 1 60 ILE MD 1 60 ILE MG . . 3.180 2.011 1.895 2.170 . 0 0 "[ . 1 . 2]" 1 1052 1 60 ILE MD 1 63 ILE MD . . 3.900 3.815 3.653 3.902 0.002 8 0 "[ . 1 . 2]" 1 1053 1 60 ILE MD 1 122 MET ME . . 3.320 2.546 1.983 3.185 . 0 0 "[ . 1 . 2]" 1 1054 1 60 ILE MD 1 129 LEU MD1 . . 3.620 2.207 1.865 2.706 . 0 0 "[ . 1 . 2]" 1 1055 1 60 ILE HG12 1 60 ILE MG . . 3.490 2.363 2.186 2.475 . 0 0 "[ . 1 . 2]" 1 1056 1 60 ILE HG12 1 61 VAL H . . 5.190 5.057 4.862 5.180 . 0 0 "[ . 1 . 2]" 1 1057 1 60 ILE HG12 1 63 ILE MD . . 4.170 2.539 2.377 2.697 . 0 0 "[ . 1 . 2]" 1 1058 1 60 ILE HG12 1 122 MET ME . . 3.750 3.184 2.607 3.673 . 0 0 "[ . 1 . 2]" 1 1059 1 60 ILE HG13 1 60 ILE MG . . 3.480 3.191 3.175 3.202 . 0 0 "[ . 1 . 2]" 1 1060 1 60 ILE HG13 1 61 VAL H . . 5.120 4.319 4.105 4.596 . 0 0 "[ . 1 . 2]" 1 1061 1 60 ILE HG13 1 63 ILE MD . . 4.170 3.481 3.233 3.866 . 0 0 "[ . 1 . 2]" 1 1062 1 60 ILE MG 1 61 VAL H . . 4.380 3.651 3.283 3.974 . 0 0 "[ . 1 . 2]" 1 1063 1 60 ILE MG 1 61 VAL HA . . 4.450 3.656 3.448 3.844 . 0 0 "[ . 1 . 2]" 1 1064 1 60 ILE MG 1 63 ILE HB . . 4.410 2.907 2.594 3.186 . 0 0 "[ . 1 . 2]" 1 1065 1 60 ILE MG 1 63 ILE HG13 . . 4.520 3.916 3.539 4.163 . 0 0 "[ . 1 . 2]" 1 1066 1 61 VAL H 1 61 VAL HB . . 3.830 3.612 3.583 3.639 . 0 0 "[ . 1 . 2]" 1 1067 1 61 VAL H 1 61 VAL MG1 . . 3.180 2.225 1.941 2.541 . 0 0 "[ . 1 . 2]" 1 1068 1 61 VAL H 1 61 VAL MG2 . . 3.180 2.277 1.859 2.572 . 0 0 "[ . 1 . 2]" 1 1069 1 61 VAL H 1 62 HIS H . . 3.940 2.686 2.420 2.983 . 0 0 "[ . 1 . 2]" 1 1070 1 61 VAL HA 1 61 VAL MG1 . . 3.430 2.318 2.185 2.515 . 0 0 "[ . 1 . 2]" 1 1071 1 61 VAL HA 1 61 VAL QG . . 2.930 2.264 2.149 2.426 . 0 0 "[ . 1 . 2]" 1 1072 1 61 VAL HA 1 61 VAL MG2 . . 3.430 3.186 3.179 3.192 . 0 0 "[ . 1 . 2]" 1 1073 1 61 VAL HB 1 62 HIS H . . 4.040 3.915 3.455 4.041 0.001 5 0 "[ . 1 . 2]" 1 1074 1 61 VAL QG 1 62 HIS H . . 3.360 2.016 1.818 2.319 . 0 0 "[ . 1 . 2]" 1 1075 1 61 VAL QG 1 62 HIS HD2 . . 4.050 2.603 1.788 3.990 . 0 0 "[ . 1 . 2]" 1 1076 1 61 VAL MG1 1 62 HIS H . . 4.180 3.951 3.683 4.167 . 0 0 "[ . 1 . 2]" 1 1077 1 61 VAL MG2 1 62 HIS H . . 4.180 2.023 1.821 2.330 . 0 0 "[ . 1 . 2]" 1 1078 1 62 HIS H 1 62 HIS QB . . 3.270 2.230 2.164 2.341 . 0 0 "[ . 1 . 2]" 1 1079 1 62 HIS H 1 63 ILE H . . 3.310 2.377 2.108 2.797 . 0 0 "[ . 1 . 2]" 1 1080 1 62 HIS H 1 63 ILE HG13 . . 3.920 3.649 3.364 3.918 . 0 0 "[ . 1 . 2]" 1 1081 1 62 HIS HA 1 90 THR H . . 4.690 4.471 4.222 4.648 . 0 0 "[ . 1 . 2]" 1 1082 1 62 HIS QB 1 63 ILE H . . 3.860 2.633 2.364 2.940 . 0 0 "[ . 1 . 2]" 1 1083 1 62 HIS QB 1 90 THR H . . 3.670 2.699 2.258 3.249 . 0 0 "[ . 1 . 2]" 1 1084 1 62 HIS HB2 1 63 ILE H . . 4.560 2.758 2.464 3.070 . 0 0 "[ . 1 . 2]" 1 1085 1 62 HIS HB3 1 63 ILE H . . 4.560 3.342 3.047 3.763 . 0 0 "[ . 1 . 2]" 1 1086 1 63 ILE H 1 63 ILE HB . . 3.240 2.710 2.633 3.044 . 0 0 "[ . 1 . 2]" 1 1087 1 63 ILE H 1 63 ILE MD . . 3.940 3.550 3.434 3.624 . 0 0 "[ . 1 . 2]" 1 1088 1 63 ILE H 1 63 ILE HG12 . . 3.580 3.024 2.307 3.262 . 0 0 "[ . 1 . 2]" 1 1089 1 63 ILE H 1 63 ILE HG13 . . 3.590 1.912 1.868 1.971 . 0 0 "[ . 1 . 2]" 1 1090 1 63 ILE H 1 63 ILE MG . . 3.830 3.761 3.667 3.778 . 0 0 "[ . 1 . 2]" 1 1091 1 63 ILE H 1 64 SER H . . 4.770 4.552 4.474 4.620 . 0 0 "[ . 1 . 2]" 1 1092 1 63 ILE H 1 89 TYR QB . . 4.850 3.341 2.952 3.747 . 0 0 "[ . 1 . 2]" 1 1093 1 63 ILE HA 1 63 ILE MD . . 4.320 3.822 3.775 3.864 . 0 0 "[ . 1 . 2]" 1 1094 1 63 ILE HA 1 63 ILE HG12 . . 4.120 2.545 2.479 2.675 . 0 0 "[ . 1 . 2]" 1 1095 1 63 ILE HA 1 64 SER H . . 3.360 2.166 2.139 2.254 . 0 0 "[ . 1 . 2]" 1 1096 1 63 ILE HA 1 65 THR H . . 4.530 4.281 3.890 4.523 . 0 0 "[ . 1 . 2]" 1 1097 1 63 ILE HA 1 89 TYR H . . 4.600 4.512 4.353 4.606 0.006 20 0 "[ . 1 . 2]" 1 1098 1 63 ILE HA 1 89 TYR HA . . 3.960 2.352 2.072 2.649 . 0 0 "[ . 1 . 2]" 1 1099 1 63 ILE HA 1 89 TYR QB . . 4.080 2.207 1.992 2.446 . 0 0 "[ . 1 . 2]" 1 1100 1 63 ILE HA 1 89 TYR QD . . 4.800 4.032 3.611 4.287 . 0 0 "[ . 1 . 2]" 1 1101 1 63 ILE HA 1 90 THR H . . 4.410 4.068 3.777 4.362 . 0 0 "[ . 1 . 2]" 1 1102 1 63 ILE HB 1 63 ILE MD . . 3.530 2.396 2.253 2.529 . 0 0 "[ . 1 . 2]" 1 1103 1 63 ILE MD 1 63 ILE MG . . 3.430 2.053 1.891 2.274 . 0 0 "[ . 1 . 2]" 1 1104 1 63 ILE MD 1 88 GLN H . . 5.500 4.663 4.362 5.001 . 0 0 "[ . 1 . 2]" 1 1105 1 63 ILE MD 1 89 TYR QB . . 4.320 3.726 3.533 3.980 . 0 0 "[ . 1 . 2]" 1 1106 1 63 ILE MD 1 122 MET ME . . 3.860 3.449 3.069 3.826 . 0 0 "[ . 1 . 2]" 1 1107 1 63 ILE HG12 1 63 ILE MG . . 3.250 2.337 2.195 2.448 . 0 0 "[ . 1 . 2]" 1 1108 1 63 ILE HG12 1 64 SER H . . 4.820 4.423 4.329 4.608 . 0 0 "[ . 1 . 2]" 1 1109 1 63 ILE HG12 1 88 GLN H . . 5.500 4.825 4.273 5.481 . 0 0 "[ . 1 . 2]" 1 1110 1 63 ILE HG12 1 89 TYR HA . . 4.720 4.164 3.822 4.546 . 0 0 "[ . 1 . 2]" 1 1111 1 63 ILE HG12 1 89 TYR QB . . 4.480 2.193 1.995 2.489 . 0 0 "[ . 1 . 2]" 1 1112 1 63 ILE HG12 1 89 TYR QD . . 4.280 2.909 2.492 3.358 . 0 0 "[ . 1 . 2]" 1 1113 1 63 ILE HG13 1 64 SER H . . 5.130 5.099 4.938 5.164 0.034 4 0 "[ . 1 . 2]" 1 1114 1 63 ILE HG13 1 89 TYR QD . . 4.900 4.440 4.001 4.898 . 0 0 "[ . 1 . 2]" 1 1115 1 63 ILE MG 1 64 SER H . . 3.710 2.300 1.965 2.565 . 0 0 "[ . 1 . 2]" 1 1116 1 63 ILE MG 1 64 SER HA . . 4.870 3.823 3.635 4.000 . 0 0 "[ . 1 . 2]" 1 1117 1 63 ILE MG 1 65 THR H . . 3.320 2.999 2.425 3.241 . 0 0 "[ . 1 . 2]" 1 1118 1 63 ILE MG 1 65 THR HA . . 5.350 4.245 3.985 4.370 . 0 0 "[ . 1 . 2]" 1 1119 1 63 ILE MG 1 87 LEU HB2 . . 4.230 4.102 3.725 4.233 0.003 15 0 "[ . 1 . 2]" 1 1120 1 63 ILE MG 1 87 LEU HB3 . . 4.230 2.681 2.371 2.997 . 0 0 "[ . 1 . 2]" 1 1121 1 63 ILE MG 1 88 GLN H . . 3.870 2.763 2.451 2.971 . 0 0 "[ . 1 . 2]" 1 1122 1 63 ILE MG 1 89 TYR HA . . 4.780 3.927 3.554 4.240 . 0 0 "[ . 1 . 2]" 1 1123 1 63 ILE MG 1 89 TYR QB . . 4.410 3.293 2.692 3.493 . 0 0 "[ . 1 . 2]" 1 1124 1 64 SER H 1 65 THR H . . 3.190 2.329 1.922 2.671 . 0 0 "[ . 1 . 2]" 1 1125 1 64 SER H 1 88 GLN H . . 4.410 4.081 3.834 4.291 . 0 0 "[ . 1 . 2]" 1 1126 1 64 SER H 1 89 TYR HA . . 3.660 2.834 2.307 3.166 . 0 0 "[ . 1 . 2]" 1 1127 1 64 SER H 1 89 TYR QB . . 4.030 3.797 3.497 4.026 . 0 0 "[ . 1 . 2]" 1 1128 1 64 SER H 1 90 THR H . . 4.980 4.775 3.940 4.983 0.003 15 0 "[ . 1 . 2]" 1 1129 1 64 SER QB 1 65 THR H . . 3.560 2.361 2.021 3.458 . 0 0 "[ . 1 . 2]" 1 1130 1 64 SER HB2 1 65 THR H . . 4.190 3.239 2.085 3.976 . 0 0 "[ . 1 . 2]" 1 1131 1 64 SER HB3 1 65 THR H . . 4.190 2.704 2.035 3.898 . 0 0 "[ . 1 . 2]" 1 1132 1 65 THR H 1 65 THR HB . . 3.620 2.591 2.500 2.669 . 0 0 "[ . 1 . 2]" 1 1133 1 65 THR H 1 65 THR MG . . 4.080 3.832 3.788 3.866 . 0 0 "[ . 1 . 2]" 1 1134 1 65 THR H 1 66 VAL H . . 4.630 4.507 4.425 4.541 . 0 0 "[ . 1 . 2]" 1 1135 1 65 THR H 1 88 GLN H . . 3.640 3.447 3.140 3.593 . 0 0 "[ . 1 . 2]" 1 1136 1 65 THR H 1 88 GLN HA . . 4.940 4.850 4.651 4.943 0.003 20 0 "[ . 1 . 2]" 1 1137 1 65 THR H 1 88 GLN HB2 . . 3.980 2.318 2.181 2.458 . 0 0 "[ . 1 . 2]" 1 1138 1 65 THR H 1 88 GLN HB3 . . 4.140 3.493 3.165 3.806 . 0 0 "[ . 1 . 2]" 1 1139 1 65 THR H 1 88 GLN HG2 . . 5.440 5.291 5.133 5.425 . 0 0 "[ . 1 . 2]" 1 1140 1 65 THR H 1 88 GLN HG3 . . 4.660 4.494 4.396 4.602 . 0 0 "[ . 1 . 2]" 1 1141 1 65 THR H 1 89 TYR HA . . 5.060 4.647 4.456 4.886 . 0 0 "[ . 1 . 2]" 1 1142 1 65 THR HA 1 65 THR MG . . 3.240 2.350 2.258 2.428 . 0 0 "[ . 1 . 2]" 1 1143 1 65 THR HA 1 66 VAL H . . 2.870 2.226 2.165 2.332 . 0 0 "[ . 1 . 2]" 1 1144 1 65 THR HB 1 66 VAL H . . 4.080 3.941 3.661 4.061 . 0 0 "[ . 1 . 2]" 1 1145 1 65 THR HB 1 88 GLN H . . 3.890 3.606 3.157 3.828 . 0 0 "[ . 1 . 2]" 1 1146 1 65 THR HB 1 88 GLN HB2 . . 3.690 2.044 1.999 2.150 . 0 0 "[ . 1 . 2]" 1 1147 1 65 THR HB 1 88 GLN HB3 . . 3.600 3.546 3.475 3.604 0.004 8 0 "[ . 1 . 2]" 1 1148 1 65 THR HB 1 88 GLN HG2 . . 4.280 4.180 3.987 4.284 0.004 6 0 "[ . 1 . 2]" 1 1149 1 65 THR HB 1 88 GLN HG3 . . 4.080 2.835 2.563 3.163 . 0 0 "[ . 1 . 2]" 1 1150 1 65 THR MG 1 66 VAL H . . 3.590 2.168 1.923 2.447 . 0 0 "[ . 1 . 2]" 1 1151 1 65 THR MG 1 66 VAL HB . . 4.690 4.542 4.366 4.696 0.006 6 0 "[ . 1 . 2]" 1 1152 1 65 THR MG 1 67 GLN H . . 4.060 3.482 3.355 3.644 . 0 0 "[ . 1 . 2]" 1 1153 1 65 THR MG 1 67 GLN HB2 . . 4.660 4.604 4.441 4.661 0.001 14 0 "[ . 1 . 2]" 1 1154 1 65 THR MG 1 67 GLN HB3 . . 4.050 3.176 2.987 3.320 . 0 0 "[ . 1 . 2]" 1 1155 1 65 THR MG 1 67 GLN QG . . 3.890 3.310 3.009 3.573 . 0 0 "[ . 1 . 2]" 1 1156 1 65 THR MG 1 86 PHE QE . . 5.130 4.261 3.339 5.127 . 0 0 "[ . 1 . 2]" 1 1157 1 65 THR MG 1 88 GLN H . . 4.560 4.293 3.913 4.558 . 0 0 "[ . 1 . 2]" 1 1158 1 65 THR MG 1 88 GLN HB2 . . 3.750 3.700 3.596 3.754 0.004 6 0 "[ . 1 . 2]" 1 1159 1 65 THR MG 1 88 GLN HB3 . . 5.500 4.941 4.857 4.992 . 0 0 "[ . 1 . 2]" 1 1160 1 65 THR MG 1 88 GLN HG2 . . 5.240 4.926 4.661 5.212 . 0 0 "[ . 1 . 2]" 1 1161 1 65 THR MG 1 88 GLN HG3 . . 4.050 3.526 3.197 3.986 . 0 0 "[ . 1 . 2]" 1 1162 1 66 VAL H 1 66 VAL HB . . 3.610 2.822 2.748 2.922 . 0 0 "[ . 1 . 2]" 1 1163 1 66 VAL H 1 66 VAL MG1 . . 4.130 3.897 3.808 3.954 . 0 0 "[ . 1 . 2]" 1 1164 1 66 VAL H 1 66 VAL MG2 . . 3.700 3.041 2.900 3.287 . 0 0 "[ . 1 . 2]" 1 1165 1 66 VAL H 1 67 GLN H . . 4.730 3.904 3.829 4.012 . 0 0 "[ . 1 . 2]" 1 1166 1 66 VAL HA 1 66 VAL MG1 . . 3.750 2.403 2.285 2.485 . 0 0 "[ . 1 . 2]" 1 1167 1 66 VAL HA 1 67 GLN H . . 3.280 2.168 2.150 2.187 . 0 0 "[ . 1 . 2]" 1 1168 1 66 VAL HA 1 87 LEU HA . . 4.230 2.615 2.289 2.783 . 0 0 "[ . 1 . 2]" 1 1169 1 66 VAL HA 1 87 LEU MD2 . . 3.970 2.390 1.993 3.033 . 0 0 "[ . 1 . 2]" 1 1170 1 66 VAL HB 1 67 GLN H . . 4.510 4.418 4.363 4.486 . 0 0 "[ . 1 . 2]" 1 1171 1 66 VAL HB 1 87 LEU MD2 . . 4.040 3.917 3.725 4.030 . 0 0 "[ . 1 . 2]" 1 1172 1 66 VAL HB 1 126 ALA MB . . 4.010 3.469 2.627 3.910 . 0 0 "[ . 1 . 2]" 1 1173 1 66 VAL HB 1 130 TYR QE . . 4.520 3.515 2.734 4.502 . 0 0 "[ . 1 . 2]" 1 1174 1 66 VAL MG1 1 67 GLN H . . 3.730 3.037 2.820 3.256 . 0 0 "[ . 1 . 2]" 1 1175 1 66 VAL MG1 1 67 GLN HA . . 4.870 3.546 3.400 3.722 . 0 0 "[ . 1 . 2]" 1 1176 1 66 VAL MG1 1 85 MET ME . . 3.200 2.632 2.035 3.201 0.001 18 0 "[ . 1 . 2]" 1 1177 1 66 VAL MG1 1 87 LEU HA . . 5.310 3.921 3.522 4.169 . 0 0 "[ . 1 . 2]" 1 1178 1 66 VAL MG1 1 87 LEU HG . . 4.260 4.001 3.728 4.234 . 0 0 "[ . 1 . 2]" 1 1179 1 66 VAL MG1 1 123 HIS HA . . 3.810 2.833 2.429 3.200 . 0 0 "[ . 1 . 2]" 1 1180 1 66 VAL MG1 1 123 HIS HB2 . . 4.420 3.601 3.097 4.269 . 0 0 "[ . 1 . 2]" 1 1181 1 66 VAL MG1 1 126 ALA MB . . 3.490 2.616 2.317 3.346 . 0 0 "[ . 1 . 2]" 1 1182 1 66 VAL MG2 1 67 GLN H . . 4.260 4.155 4.032 4.221 . 0 0 "[ . 1 . 2]" 1 1183 1 66 VAL MG2 1 126 ALA MB . . 3.480 3.163 2.583 3.484 0.004 7 0 "[ . 1 . 2]" 1 1184 1 66 VAL MG2 1 130 TYR QE . . 3.970 3.233 2.212 3.961 . 0 0 "[ . 1 . 2]" 1 1185 1 67 GLN H 1 67 GLN HB2 . . 3.960 3.872 3.836 3.898 . 0 0 "[ . 1 . 2]" 1 1186 1 67 GLN H 1 67 GLN HB3 . . 3.760 3.094 2.942 3.238 . 0 0 "[ . 1 . 2]" 1 1187 1 67 GLN H 1 67 GLN HG2 . . 4.810 2.481 2.213 3.803 . 0 0 "[ . 1 . 2]" 1 1188 1 67 GLN H 1 67 GLN QG . . 4.100 2.360 2.187 2.564 . 0 0 "[ . 1 . 2]" 1 1189 1 67 GLN H 1 67 GLN HG3 . . 4.810 3.402 2.340 3.704 . 0 0 "[ . 1 . 2]" 1 1190 1 67 GLN H 1 86 PHE H . . 4.030 3.809 3.603 3.970 . 0 0 "[ . 1 . 2]" 1 1191 1 67 GLN H 1 86 PHE QB . . 4.210 3.391 2.711 3.789 . 0 0 "[ . 1 . 2]" 1 1192 1 67 GLN H 1 87 LEU HA . . 4.230 3.316 3.046 3.854 . 0 0 "[ . 1 . 2]" 1 1193 1 67 GLN H 1 87 LEU MD2 . . 4.000 3.255 2.553 3.999 . 0 0 "[ . 1 . 2]" 1 1194 1 67 GLN H 1 87 LEU HG . . 5.070 4.566 4.117 5.062 . 0 0 "[ . 1 . 2]" 1 1195 1 67 GLN HA 1 68 ILE H . . 3.160 2.343 2.241 2.375 . 0 0 "[ . 1 . 2]" 1 1196 1 67 GLN HA 1 68 ILE HB . . 4.950 4.649 4.473 4.810 . 0 0 "[ . 1 . 2]" 1 1197 1 67 GLN HB2 1 68 ILE H . . 4.030 2.634 2.507 2.943 . 0 0 "[ . 1 . 2]" 1 1198 1 67 GLN HB2 1 68 ILE HA . . 5.170 4.822 4.689 5.065 . 0 0 "[ . 1 . 2]" 1 1199 1 67 GLN HB2 1 86 PHE QB . . 4.490 4.296 4.092 4.512 0.022 6 0 "[ . 1 . 2]" 1 1200 1 67 GLN HB2 1 86 PHE QD . . 5.500 5.252 4.848 5.481 . 0 0 "[ . 1 . 2]" 1 1201 1 67 GLN HB3 1 68 ILE H . . 4.410 3.949 3.819 4.154 . 0 0 "[ . 1 . 2]" 1 1202 1 67 GLN HB3 1 86 PHE QB . . 4.640 4.372 4.095 4.498 . 0 0 "[ . 1 . 2]" 1 1203 1 67 GLN HB3 1 86 PHE QD . . 5.130 4.632 4.251 4.960 . 0 0 "[ . 1 . 2]" 1 1204 1 67 GLN HE21 1 69 LEU MD2 . . 4.460 2.640 2.047 3.413 . 0 0 "[ . 1 . 2]" 1 1205 1 67 GLN HE22 1 69 LEU MD2 . . 4.460 3.703 1.888 4.341 . 0 0 "[ . 1 . 2]" 1 1206 1 67 GLN QG 1 68 ILE H . . 4.160 3.459 3.200 4.022 . 0 0 "[ . 1 . 2]" 1 1207 1 67 GLN QG 1 69 LEU MD2 . . 3.750 3.100 2.905 3.759 0.009 6 0 "[ . 1 . 2]" 1 1208 1 67 GLN QG 1 86 PHE QB . . 4.240 1.909 1.821 2.025 . 0 0 "[ . 1 . 2]" 1 1209 1 67 GLN QG 1 86 PHE QD . . 4.670 2.399 2.044 2.748 . 0 0 "[ . 1 . 2]" 1 1210 1 67 GLN HG2 1 68 ILE H . . 4.790 4.557 4.297 4.765 . 0 0 "[ . 1 . 2]" 1 1211 1 67 GLN HG2 1 69 LEU MD2 . . 4.420 4.249 4.066 4.429 0.009 6 0 "[ . 1 . 2]" 1 1212 1 67 GLN HG2 1 86 PHE QB . . 4.910 2.209 2.015 3.444 . 0 0 "[ . 1 . 2]" 1 1213 1 67 GLN HG3 1 68 ILE H . . 4.790 3.591 3.272 4.335 . 0 0 "[ . 1 . 2]" 1 1214 1 67 GLN HG3 1 69 LEU MD2 . . 4.420 3.192 2.964 4.064 . 0 0 "[ . 1 . 2]" 1 1215 1 67 GLN HG3 1 86 PHE QB . . 4.910 2.141 1.968 2.304 . 0 0 "[ . 1 . 2]" 1 1216 1 68 ILE H 1 68 ILE HB . . 3.440 2.520 2.421 2.621 . 0 0 "[ . 1 . 2]" 1 1217 1 68 ILE H 1 68 ILE MD . . 4.470 3.825 3.665 4.055 . 0 0 "[ . 1 . 2]" 1 1218 1 68 ILE H 1 68 ILE HG12 . . 4.520 3.885 3.473 4.129 . 0 0 "[ . 1 . 2]" 1 1219 1 68 ILE H 1 68 ILE QG . . 3.900 2.624 2.287 2.957 . 0 0 "[ . 1 . 2]" 1 1220 1 68 ILE H 1 68 ILE HG13 . . 4.520 2.669 2.320 3.031 . 0 0 "[ . 1 . 2]" 1 1221 1 68 ILE H 1 68 ILE MG . . 4.020 3.789 3.705 3.833 . 0 0 "[ . 1 . 2]" 1 1222 1 68 ILE H 1 69 LEU H . . 5.070 4.505 4.458 4.574 . 0 0 "[ . 1 . 2]" 1 1223 1 68 ILE H 1 86 PHE H . . 5.500 4.637 4.420 5.008 . 0 0 "[ . 1 . 2]" 1 1224 1 68 ILE HA 1 68 ILE MD . . 3.970 3.835 3.778 3.876 . 0 0 "[ . 1 . 2]" 1 1225 1 68 ILE HA 1 68 ILE QG . . 3.710 2.401 2.297 2.467 . 0 0 "[ . 1 . 2]" 1 1226 1 68 ILE HA 1 68 ILE MG . . 3.690 2.393 2.256 2.524 . 0 0 "[ . 1 . 2]" 1 1227 1 68 ILE HA 1 69 LEU H . . 3.450 2.197 2.166 2.243 . 0 0 "[ . 1 . 2]" 1 1228 1 68 ILE HA 1 69 LEU QB . . 4.690 4.428 4.365 4.551 . 0 0 "[ . 1 . 2]" 1 1229 1 68 ILE HA 1 69 LEU HG . . 4.800 3.774 3.494 3.939 . 0 0 "[ . 1 . 2]" 1 1230 1 68 ILE HA 1 85 MET HA . . 3.970 2.180 2.000 2.548 . 0 0 "[ . 1 . 2]" 1 1231 1 68 ILE HA 1 85 MET QB . . 4.590 3.718 3.443 4.288 . 0 0 "[ . 1 . 2]" 1 1232 1 68 ILE HA 1 85 MET ME . . 4.170 3.736 3.335 4.167 . 0 0 "[ . 1 . 2]" 1 1233 1 68 ILE HA 1 85 MET QG . . 4.930 3.282 2.511 4.134 . 0 0 "[ . 1 . 2]" 1 1234 1 68 ILE HA 1 86 PHE H . . 4.410 2.628 2.231 2.988 . 0 0 "[ . 1 . 2]" 1 1235 1 68 ILE HA 1 86 PHE QB . . 4.530 4.088 3.655 4.415 . 0 0 "[ . 1 . 2]" 1 1236 1 68 ILE HB 1 68 ILE MD . . 3.540 2.345 2.237 2.498 . 0 0 "[ . 1 . 2]" 1 1237 1 68 ILE HB 1 69 LEU H . . 4.850 4.052 3.935 4.202 . 0 0 "[ . 1 . 2]" 1 1238 1 68 ILE HB 1 123 HIS HB2 . . 4.890 4.793 4.549 4.892 0.002 11 0 "[ . 1 . 2]" 1 1239 1 68 ILE MD 1 69 LEU H . . 5.020 4.932 4.703 5.027 0.007 6 0 "[ . 1 . 2]" 1 1240 1 68 ILE MD 1 85 MET ME . . 3.570 3.021 2.262 3.570 0.000 6 0 "[ . 1 . 2]" 1 1241 1 68 ILE MD 1 119 LEU HA . . 4.520 4.165 3.708 4.516 . 0 0 "[ . 1 . 2]" 1 1242 1 68 ILE MD 1 119 LEU HB2 . . 4.220 3.982 3.653 4.225 0.005 2 0 "[ . 1 . 2]" 1 1243 1 68 ILE MD 1 119 LEU QB . . 3.610 3.096 2.631 3.337 . 0 0 "[ . 1 . 2]" 1 1244 1 68 ILE MD 1 119 LEU HB3 . . 4.220 3.238 2.679 3.568 . 0 0 "[ . 1 . 2]" 1 1245 1 68 ILE MD 1 120 VAL H . . 4.390 3.735 3.441 4.146 . 0 0 "[ . 1 . 2]" 1 1246 1 68 ILE MD 1 120 VAL HA . . 3.630 2.159 1.883 2.503 . 0 0 "[ . 1 . 2]" 1 1247 1 68 ILE MD 1 120 VAL HB . . 4.590 3.657 3.165 4.332 . 0 0 "[ . 1 . 2]" 1 1248 1 68 ILE MD 1 123 HIS H . . 4.860 3.275 2.884 3.636 . 0 0 "[ . 1 . 2]" 1 1249 1 68 ILE MD 1 123 HIS HA . . 4.390 4.244 4.079 4.390 0.000 7 0 "[ . 1 . 2]" 1 1250 1 68 ILE MD 1 123 HIS HB2 . . 3.820 2.190 1.969 2.612 . 0 0 "[ . 1 . 2]" 1 1251 1 68 ILE MD 1 123 HIS HB3 . . 3.940 2.197 1.946 2.845 . 0 0 "[ . 1 . 2]" 1 1252 1 68 ILE QG 1 69 LEU H . . 4.340 3.982 3.758 4.182 . 0 0 "[ . 1 . 2]" 1 1253 1 68 ILE QG 1 85 MET ME . . 3.430 2.302 1.891 2.806 . 0 0 "[ . 1 . 2]" 1 1254 1 68 ILE QG 1 85 MET QG . . 5.180 3.414 2.225 4.197 . 0 0 "[ . 1 . 2]" 1 1255 1 68 ILE QG 1 120 VAL HA . . 5.340 4.053 3.735 4.426 . 0 0 "[ . 1 . 2]" 1 1256 1 68 ILE QG 1 123 HIS H . . 4.550 4.084 3.733 4.371 . 0 0 "[ . 1 . 2]" 1 1257 1 68 ILE HG12 1 69 LEU H . . 5.140 4.213 3.930 4.441 . 0 0 "[ . 1 . 2]" 1 1258 1 68 ILE HG12 1 85 MET ME . . 4.080 2.412 1.941 3.141 . 0 0 "[ . 1 . 2]" 1 1259 1 68 ILE HG12 1 123 HIS H . . 5.430 4.510 3.949 5.150 . 0 0 "[ . 1 . 2]" 1 1260 1 68 ILE HG13 1 69 LEU H . . 5.140 4.908 4.749 5.105 . 0 0 "[ . 1 . 2]" 1 1261 1 68 ILE HG13 1 85 MET ME . . 4.080 3.016 2.312 3.814 . 0 0 "[ . 1 . 2]" 1 1262 1 68 ILE HG13 1 123 HIS H . . 5.430 4.691 4.285 5.148 . 0 0 "[ . 1 . 2]" 1 1263 1 68 ILE MG 1 69 LEU H . . 3.720 2.134 1.911 2.361 . 0 0 "[ . 1 . 2]" 1 1264 1 68 ILE MG 1 70 THR MG . . 3.450 2.410 1.900 2.951 . 0 0 "[ . 1 . 2]" 1 1265 1 68 ILE MG 1 82 ALA HA . . 4.500 3.132 2.568 3.498 . 0 0 "[ . 1 . 2]" 1 1266 1 68 ILE MG 1 82 ALA MB . . 3.200 2.101 1.749 2.881 . 0 0 "[ . 1 . 2]" 1 1267 1 68 ILE MG 1 84 GLY H . . 4.200 3.460 3.254 3.686 . 0 0 "[ . 1 . 2]" 1 1268 1 68 ILE MG 1 85 MET HA . . 4.130 2.889 2.423 3.289 . 0 0 "[ . 1 . 2]" 1 1269 1 68 ILE MG 1 86 PHE H . . 4.810 4.367 3.977 4.681 . 0 0 "[ . 1 . 2]" 1 1270 1 68 ILE MG 1 119 LEU QB . . 4.280 2.813 2.184 3.290 . 0 0 "[ . 1 . 2]" 1 1271 1 69 LEU H 1 69 LEU QB . . 3.820 2.432 2.356 2.576 . 0 0 "[ . 1 . 2]" 1 1272 1 69 LEU H 1 69 LEU MD1 . . 4.290 3.665 3.241 3.847 . 0 0 "[ . 1 . 2]" 1 1273 1 69 LEU H 1 69 LEU MD2 . . 4.230 3.600 3.463 3.850 . 0 0 "[ . 1 . 2]" 1 1274 1 69 LEU H 1 69 LEU HG . . 3.740 2.505 2.162 2.798 . 0 0 "[ . 1 . 2]" 1 1275 1 69 LEU H 1 84 GLY H . . 4.410 4.090 3.635 4.344 . 0 0 "[ . 1 . 2]" 1 1276 1 69 LEU H 1 85 MET H . . 5.290 3.832 3.465 4.149 . 0 0 "[ . 1 . 2]" 1 1277 1 69 LEU H 1 85 MET HA . . 4.220 2.018 1.906 2.225 . 0 0 "[ . 1 . 2]" 1 1278 1 69 LEU H 1 85 MET QB . . 5.010 3.933 3.736 4.253 . 0 0 "[ . 1 . 2]" 1 1279 1 69 LEU H 1 85 MET QG . . 5.340 4.341 3.770 4.900 . 0 0 "[ . 1 . 2]" 1 1280 1 69 LEU H 1 86 PHE H . . 4.770 3.391 3.078 3.708 . 0 0 "[ . 1 . 2]" 1 1281 1 69 LEU HA 1 69 LEU MD1 . . 4.430 3.897 3.838 3.988 . 0 0 "[ . 1 . 2]" 1 1282 1 69 LEU HA 1 69 LEU MD2 . . 3.330 2.188 1.994 2.442 . 0 0 "[ . 1 . 2]" 1 1283 1 69 LEU HA 1 70 THR H . . 3.370 2.161 2.139 2.238 . 0 0 "[ . 1 . 2]" 1 1284 1 69 LEU HA 1 70 THR MG . . 4.240 3.846 3.545 4.238 . 0 0 "[ . 1 . 2]" 1 1285 1 69 LEU QB 1 69 LEU MD1 . . 3.190 2.064 2.000 2.098 . 0 0 "[ . 1 . 2]" 1 1286 1 69 LEU QB 1 70 THR H . . 4.060 3.244 2.792 3.593 . 0 0 "[ . 1 . 2]" 1 1287 1 69 LEU QB 1 84 GLY H . . 3.960 3.450 2.539 3.953 . 0 0 "[ . 1 . 2]" 1 1288 1 69 LEU QB 1 84 GLY QA . . 5.190 2.463 1.974 3.378 . 0 0 "[ . 1 . 2]" 1 1289 1 69 LEU QB 1 85 MET H . . 4.540 3.276 2.634 3.986 . 0 0 "[ . 1 . 2]" 1 1290 1 69 LEU QB 1 101 LYS QG . . 4.290 4.187 4.018 4.297 0.007 6 0 "[ . 1 . 2]" 1 1291 1 69 LEU MD1 1 84 GLY HA2 . . 4.650 4.179 3.480 4.638 . 0 0 "[ . 1 . 2]" 1 1292 1 69 LEU MD1 1 84 GLY QA . . 4.020 2.903 2.400 3.248 . 0 0 "[ . 1 . 2]" 1 1293 1 69 LEU MD1 1 84 GLY HA3 . . 4.650 2.964 2.446 3.317 . 0 0 "[ . 1 . 2]" 1 1294 1 69 LEU MD1 1 85 MET H . . 3.860 2.706 2.082 3.385 . 0 0 "[ . 1 . 2]" 1 1295 1 69 LEU MD1 1 86 PHE HA . . 4.650 3.335 2.896 3.610 . 0 0 "[ . 1 . 2]" 1 1296 1 69 LEU MD1 1 86 PHE QB . . 3.770 2.590 2.067 3.126 . 0 0 "[ . 1 . 2]" 1 1297 1 69 LEU MD1 1 101 LYS HA . . 4.310 3.090 2.749 3.748 . 0 0 "[ . 1 . 2]" 1 1298 1 69 LEU MD1 1 101 LYS HD2 . . 4.010 3.252 1.776 4.005 . 0 0 "[ . 1 . 2]" 1 1299 1 69 LEU MD1 1 101 LYS QD . . 3.450 2.812 1.743 3.435 . 0 0 "[ . 1 . 2]" 1 1300 1 69 LEU MD1 1 101 LYS HD3 . . 4.010 3.415 2.028 3.992 . 0 0 "[ . 1 . 2]" 1 1301 1 69 LEU MD1 1 101 LYS HE2 . . 4.010 2.990 1.866 4.039 0.029 6 0 "[ . 1 . 2]" 1 1302 1 69 LEU MD1 1 101 LYS HE3 . . 4.010 2.975 1.936 4.011 0.001 5 0 "[ . 1 . 2]" 1 1303 1 69 LEU MD1 1 101 LYS QG . . 3.850 1.910 1.765 2.283 . 0 0 "[ . 1 . 2]" 1 1304 1 69 LEU MD1 1 102 LEU H . . 4.140 3.037 2.604 3.955 . 0 0 "[ . 1 . 2]" 1 1305 1 69 LEU MD2 1 70 THR H . . 4.130 3.621 3.243 3.978 . 0 0 "[ . 1 . 2]" 1 1306 1 69 LEU MD2 1 86 PHE H . . 4.500 4.105 3.685 4.475 . 0 0 "[ . 1 . 2]" 1 1307 1 69 LEU MD2 1 86 PHE QB . . 3.600 2.049 1.887 2.306 . 0 0 "[ . 1 . 2]" 1 1308 1 69 LEU MD2 1 86 PHE QD . . 4.300 2.976 2.572 3.355 . 0 0 "[ . 1 . 2]" 1 1309 1 69 LEU MD2 1 86 PHE QE . . 4.460 4.341 4.069 4.469 0.009 18 0 "[ . 1 . 2]" 1 1310 1 69 LEU HG 1 85 MET H . . 4.780 3.732 3.304 4.438 . 0 0 "[ . 1 . 2]" 1 1311 1 69 LEU HG 1 85 MET HA . . 4.130 3.033 2.622 3.299 . 0 0 "[ . 1 . 2]" 1 1312 1 69 LEU HG 1 86 PHE H . . 4.140 3.090 2.438 3.460 . 0 0 "[ . 1 . 2]" 1 1313 1 69 LEU HG 1 86 PHE QB . . 3.610 2.108 1.987 2.441 . 0 0 "[ . 1 . 2]" 1 1314 1 70 THR H 1 70 THR MG . . 4.140 2.946 2.369 3.453 . 0 0 "[ . 1 . 2]" 1 1315 1 70 THR HA 1 71 GLU H . . 3.550 2.208 2.142 2.469 . 0 0 "[ . 1 . 2]" 1 1316 1 70 THR HA 1 83 THR H . . 4.410 2.711 2.139 3.581 . 0 0 "[ . 1 . 2]" 1 1317 1 70 THR HB 1 71 GLU H . . 3.790 3.194 2.244 3.696 . 0 0 "[ . 1 . 2]" 1 1318 1 70 THR MG 1 82 ALA HA . . 3.630 2.354 1.861 3.266 . 0 0 "[ . 1 . 2]" 1 1319 1 70 THR MG 1 82 ALA MB . . 3.600 3.121 2.191 3.604 0.004 1 0 "[ . 1 . 2]" 1 1320 1 70 THR MG 1 83 THR H . . 4.430 3.304 2.461 4.245 . 0 0 "[ . 1 . 2]" 1 1321 1 71 GLU H 1 71 GLU HB2 . . 3.540 2.889 2.197 3.590 0.050 15 0 "[ . 1 . 2]" 1 1322 1 71 GLU H 1 71 GLU HB3 . . 3.540 2.735 2.272 3.533 . 0 0 "[ . 1 . 2]" 1 1323 1 71 GLU H 1 71 GLU QG . . 4.140 3.420 1.883 4.160 0.020 7 0 "[ . 1 . 2]" 1 1324 1 71 GLU H 1 83 THR MG . . 4.030 2.911 1.901 4.032 0.002 14 0 "[ . 1 . 2]" 1 1325 1 71 GLU HA 1 72 GLY QA . . 4.450 4.071 3.887 4.371 . 0 0 "[ . 1 . 2]" 1 1326 1 71 GLU HA 1 83 THR MG . . 5.080 4.455 2.585 5.083 0.003 17 0 "[ . 1 . 2]" 1 1327 1 71 GLU QB 1 72 GLY H . . 4.210 3.247 2.133 3.959 . 0 0 "[ . 1 . 2]" 1 1328 1 71 GLU QB 1 83 THR MG . . 3.670 2.722 2.016 3.596 . 0 0 "[ . 1 . 2]" 1 1329 1 71 GLU HB2 1 72 GLY H . . 4.780 3.942 2.265 4.567 . 0 0 "[ . 1 . 2]" 1 1330 1 71 GLU HB2 1 83 THR MG . . 4.480 3.453 2.174 4.468 . 0 0 "[ . 1 . 2]" 1 1331 1 71 GLU HB3 1 72 GLY H . . 4.780 3.623 2.148 4.623 . 0 0 "[ . 1 . 2]" 1 1332 1 71 GLU HB3 1 83 THR MG . . 4.480 3.147 2.027 4.484 0.004 14 0 "[ . 1 . 2]" 1 1333 1 71 GLU QG 1 72 GLY H . . 4.210 3.042 1.928 4.221 0.011 15 0 "[ . 1 . 2]" 1 1334 1 72 GLY H 1 73 PHE H . . 4.340 3.610 2.619 4.348 0.008 19 0 "[ . 1 . 2]" 1 1335 1 73 PHE H 1 73 PHE HB2 . . 4.120 2.772 2.151 3.811 . 0 0 "[ . 1 . 2]" 1 1336 1 73 PHE H 1 73 PHE QB . . 3.410 2.374 2.106 3.026 . 0 0 "[ . 1 . 2]" 1 1337 1 73 PHE H 1 73 PHE HB3 . . 4.120 3.109 2.182 3.835 . 0 0 "[ . 1 . 2]" 1 1338 1 73 PHE HA 1 73 PHE QD . . 4.180 2.922 2.099 3.689 . 0 0 "[ . 1 . 2]" 1 1339 1 74 PRO HA 1 75 PRO QD . . 3.480 2.036 1.860 2.197 . 0 0 "[ . 1 . 2]" 1 1340 1 74 PRO QB 1 75 PRO QD . . 3.850 2.472 1.933 3.304 . 0 0 "[ . 1 . 2]" 1 1341 1 79 ASN QB 1 80 ALA H . . 4.130 3.089 2.062 4.024 . 0 0 "[ . 1 . 2]" 1 1342 1 79 ASN HB2 1 80 ALA H . . 4.880 3.862 2.082 4.636 . 0 0 "[ . 1 . 2]" 1 1343 1 79 ASN HB3 1 80 ALA H . . 4.880 3.489 2.201 4.472 . 0 0 "[ . 1 . 2]" 1 1344 1 80 ALA H 1 80 ALA MB . . 3.510 2.401 2.121 2.871 . 0 0 "[ . 1 . 2]" 1 1345 1 80 ALA HA 1 81 ARG H . . 3.270 2.324 2.142 2.850 . 0 0 "[ . 1 . 2]" 1 1346 1 80 ALA MB 1 81 ARG H . . 3.910 3.255 2.662 3.713 . 0 0 "[ . 1 . 2]" 1 1347 1 81 ARG H 1 81 ARG HB2 . . 4.090 2.811 2.193 4.038 . 0 0 "[ . 1 . 2]" 1 1348 1 81 ARG H 1 81 ARG QB . . 3.590 2.514 2.172 3.229 . 0 0 "[ . 1 . 2]" 1 1349 1 81 ARG H 1 81 ARG HB3 . . 4.090 3.305 2.455 3.995 . 0 0 "[ . 1 . 2]" 1 1350 1 81 ARG H 1 81 ARG QD . . 4.840 3.748 2.016 4.781 . 0 0 "[ . 1 . 2]" 1 1351 1 81 ARG H 1 81 ARG QG . . 4.020 3.128 2.199 4.026 0.006 4 0 "[ . 1 . 2]" 1 1352 1 81 ARG H 1 82 ALA H . . 4.470 3.675 2.287 4.477 0.007 18 0 "[ . 1 . 2]" 1 1353 1 81 ARG HA 1 81 ARG QD . . 4.380 3.568 2.081 4.381 0.001 18 0 "[ . 1 . 2]" 1 1354 1 81 ARG QB 1 81 ARG QD . . 3.250 2.258 2.006 2.673 . 0 0 "[ . 1 . 2]" 1 1355 1 81 ARG HB2 1 81 ARG QD . . 3.770 2.595 2.065 3.313 . 0 0 "[ . 1 . 2]" 1 1356 1 81 ARG HB2 1 82 ALA H . . 4.590 3.621 2.127 4.569 . 0 0 "[ . 1 . 2]" 1 1357 1 81 ARG HB3 1 81 ARG QD . . 3.770 2.773 2.121 3.497 . 0 0 "[ . 1 . 2]" 1 1358 1 81 ARG HB3 1 82 ALA H . . 4.590 3.527 1.985 4.517 . 0 0 "[ . 1 . 2]" 1 1359 1 81 ARG QG 1 82 ALA H . . 4.720 3.907 2.676 4.648 . 0 0 "[ . 1 . 2]" 1 1360 1 82 ALA H 1 82 ALA MB . . 3.470 2.391 2.064 2.799 . 0 0 "[ . 1 . 2]" 1 1361 1 82 ALA H 1 83 THR H . . 5.140 4.235 3.879 4.550 . 0 0 "[ . 1 . 2]" 1 1362 1 82 ALA H 1 116 VAL MG1 . . 3.890 2.593 1.862 3.298 . 0 0 "[ . 1 . 2]" 1 1363 1 82 ALA H 1 116 VAL MG2 . . 4.420 3.559 2.371 4.319 . 0 0 "[ . 1 . 2]" 1 1364 1 82 ALA HA 1 84 GLY H . . 3.910 3.686 3.453 3.910 0.000 14 0 "[ . 1 . 2]" 1 1365 1 82 ALA MB 1 83 THR H . . 4.140 3.295 3.078 3.618 . 0 0 "[ . 1 . 2]" 1 1366 1 82 ALA MB 1 84 GLY H . . 3.990 3.271 2.675 3.800 . 0 0 "[ . 1 . 2]" 1 1367 1 82 ALA MB 1 116 VAL HA . . 4.500 3.212 2.634 3.867 . 0 0 "[ . 1 . 2]" 1 1368 1 82 ALA MB 1 116 VAL MG1 . . 3.230 2.502 1.903 3.195 . 0 0 "[ . 1 . 2]" 1 1369 1 82 ALA MB 1 119 LEU QB . . 4.390 2.477 2.013 2.902 . 0 0 "[ . 1 . 2]" 1 1370 1 82 ALA MB 1 119 LEU MD1 . . 3.550 2.111 1.792 2.520 . 0 0 "[ . 1 . 2]" 1 1371 1 82 ALA MB 1 120 VAL H . . 4.540 3.744 3.034 4.408 . 0 0 "[ . 1 . 2]" 1 1372 1 82 ALA MB 1 120 VAL HA . . 5.500 4.281 3.527 4.966 . 0 0 "[ . 1 . 2]" 1 1373 1 82 ALA MB 1 120 VAL HB . . 4.660 3.647 2.899 4.658 . 0 0 "[ . 1 . 2]" 1 1374 1 83 THR H 1 83 THR MG . . 4.370 2.685 1.966 3.892 . 0 0 "[ . 1 . 2]" 1 1375 1 83 THR H 1 84 GLY H . . 3.470 2.484 2.031 3.042 . 0 0 "[ . 1 . 2]" 1 1376 1 83 THR HA 1 104 VAL H . . 4.610 4.208 3.702 4.404 . 0 0 "[ . 1 . 2]" 1 1377 1 83 THR HA 1 104 VAL HB . . 4.450 4.199 3.352 4.451 0.001 17 0 "[ . 1 . 2]" 1 1378 1 83 THR HA 1 104 VAL MG2 . . 3.640 2.978 1.998 3.553 . 0 0 "[ . 1 . 2]" 1 1379 1 83 THR HA 1 119 LEU MD1 . . 4.850 3.669 2.835 4.666 . 0 0 "[ . 1 . 2]" 1 1380 1 83 THR HB 1 84 GLY H . . 4.670 4.051 2.662 4.646 . 0 0 "[ . 1 . 2]" 1 1381 1 83 THR MG 1 84 GLY H . . 4.670 3.749 1.963 4.318 . 0 0 "[ . 1 . 2]" 1 1382 1 84 GLY H 1 85 MET H . . 4.760 4.378 4.252 4.440 . 0 0 "[ . 1 . 2]" 1 1383 1 84 GLY H 1 103 THR HA . . 5.050 4.785 4.396 5.047 . 0 0 "[ . 1 . 2]" 1 1384 1 84 GLY H 1 119 LEU MD1 . . 4.080 2.934 1.895 4.068 . 0 0 "[ . 1 . 2]" 1 1385 1 84 GLY QA 1 103 THR MG . . 4.160 3.569 2.879 3.948 . 0 0 "[ . 1 . 2]" 1 1386 1 84 GLY QA 1 104 VAL H . . 3.970 3.660 3.249 3.961 . 0 0 "[ . 1 . 2]" 1 1387 1 84 GLY QA 1 119 LEU MD1 . . 3.860 2.944 2.368 3.449 . 0 0 "[ . 1 . 2]" 1 1388 1 84 GLY HA2 1 103 THR HA . . 4.340 2.500 2.240 2.842 . 0 0 "[ . 1 . 2]" 1 1389 1 84 GLY HA2 1 119 LEU MD1 . . 4.560 3.011 2.388 3.605 . 0 0 "[ . 1 . 2]" 1 1390 1 84 GLY HA3 1 103 THR HA . . 4.340 3.237 2.589 3.860 . 0 0 "[ . 1 . 2]" 1 1391 1 84 GLY HA3 1 119 LEU MD1 . . 4.560 4.204 3.634 4.561 0.001 11 0 "[ . 1 . 2]" 1 1392 1 85 MET H 1 85 MET HB2 . . 4.180 3.365 3.064 3.572 . 0 0 "[ . 1 . 2]" 1 1393 1 85 MET H 1 85 MET HB3 . . 4.180 2.842 2.518 3.074 . 0 0 "[ . 1 . 2]" 1 1394 1 85 MET H 1 102 LEU H . . 3.850 2.473 2.178 2.753 . 0 0 "[ . 1 . 2]" 1 1395 1 85 MET H 1 102 LEU QB . . 3.830 2.637 2.066 3.800 . 0 0 "[ . 1 . 2]" 1 1396 1 85 MET H 1 102 LEU HG . . 4.860 4.340 3.760 4.844 . 0 0 "[ . 1 . 2]" 1 1397 1 85 MET H 1 103 THR HA . . 4.490 4.190 3.813 4.362 . 0 0 "[ . 1 . 2]" 1 1398 1 85 MET H 1 119 LEU MD2 . . 4.060 3.717 3.291 4.051 . 0 0 "[ . 1 . 2]" 1 1399 1 85 MET HA 1 85 MET ME . . 4.400 4.038 3.650 4.328 . 0 0 "[ . 1 . 2]" 1 1400 1 85 MET HA 1 86 PHE H . . 3.290 2.267 2.156 2.345 . 0 0 "[ . 1 . 2]" 1 1401 1 85 MET HA 1 86 PHE QB . . 4.530 3.948 3.890 4.046 . 0 0 "[ . 1 . 2]" 1 1402 1 85 MET QB 1 102 LEU H . . 4.220 3.460 2.606 4.000 . 0 0 "[ . 1 . 2]" 1 1403 1 85 MET QB 1 102 LEU QB . . 3.740 2.042 1.928 2.229 . 0 0 "[ . 1 . 2]" 1 1404 1 85 MET QB 1 102 LEU MD1 . . 3.650 2.125 1.899 2.689 . 0 0 "[ . 1 . 2]" 1 1405 1 85 MET QB 1 102 LEU HG . . 4.650 3.163 2.434 3.939 . 0 0 "[ . 1 . 2]" 1 1406 1 85 MET QB 1 119 LEU MD2 . . 3.160 1.971 1.776 2.216 . 0 0 "[ . 1 . 2]" 1 1407 1 85 MET HB2 1 85 MET ME . . 4.180 3.200 2.383 3.865 . 0 0 "[ . 1 . 2]" 1 1408 1 85 MET HB2 1 86 PHE H . . 4.970 3.941 3.705 4.260 . 0 0 "[ . 1 . 2]" 1 1409 1 85 MET HB2 1 102 LEU HB2 . . 5.160 3.339 2.440 3.867 . 0 0 "[ . 1 . 2]" 1 1410 1 85 MET HB2 1 102 LEU HB3 . . 5.160 4.737 3.794 5.155 . 0 0 "[ . 1 . 2]" 1 1411 1 85 MET HB2 1 102 LEU MD1 . . 4.430 3.260 2.728 3.864 . 0 0 "[ . 1 . 2]" 1 1412 1 85 MET HB2 1 119 LEU MD2 . . 3.910 2.026 1.794 2.405 . 0 0 "[ . 1 . 2]" 1 1413 1 85 MET HB3 1 85 MET ME . . 4.180 3.970 3.542 4.196 0.016 5 0 "[ . 1 . 2]" 1 1414 1 85 MET HB3 1 86 PHE H . . 4.970 3.926 3.534 4.243 . 0 0 "[ . 1 . 2]" 1 1415 1 85 MET HB3 1 102 LEU HB2 . . 5.160 2.081 2.004 2.279 . 0 0 "[ . 1 . 2]" 1 1416 1 85 MET HB3 1 102 LEU HB3 . . 5.160 3.602 3.387 3.832 . 0 0 "[ . 1 . 2]" 1 1417 1 85 MET HB3 1 102 LEU MD1 . . 4.430 2.157 1.938 2.777 . 0 0 "[ . 1 . 2]" 1 1418 1 85 MET HB3 1 119 LEU MD2 . . 3.910 2.837 2.326 3.300 . 0 0 "[ . 1 . 2]" 1 1419 1 85 MET ME 1 85 MET QG . . 3.170 2.113 1.968 2.249 . 0 0 "[ . 1 . 2]" 1 1420 1 85 MET ME 1 86 PHE H . . 4.480 4.028 3.776 4.364 . 0 0 "[ . 1 . 2]" 1 1421 1 85 MET ME 1 87 LEU MD2 . . 3.610 2.420 1.855 3.298 . 0 0 "[ . 1 . 2]" 1 1422 1 85 MET ME 1 102 LEU MD1 . . 4.300 3.959 3.308 4.279 . 0 0 "[ . 1 . 2]" 1 1423 1 85 MET ME 1 118 TRP HZ3 . . 4.300 3.135 2.679 3.704 . 0 0 "[ . 1 . 2]" 1 1424 1 85 MET ME 1 119 LEU HA . . 3.640 3.086 2.511 3.592 . 0 0 "[ . 1 . 2]" 1 1425 1 85 MET ME 1 122 MET HB2 . . 3.590 3.376 3.088 3.577 . 0 0 "[ . 1 . 2]" 1 1426 1 85 MET ME 1 122 MET QB . . 2.930 2.091 1.926 2.338 . 0 0 "[ . 1 . 2]" 1 1427 1 85 MET ME 1 122 MET HB3 . . 3.590 2.112 1.946 2.373 . 0 0 "[ . 1 . 2]" 1 1428 1 85 MET ME 1 122 MET QG . . 3.760 2.425 1.904 3.222 . 0 0 "[ . 1 . 2]" 1 1429 1 85 MET ME 1 123 HIS H . . 3.690 2.738 2.482 3.218 . 0 0 "[ . 1 . 2]" 1 1430 1 85 MET ME 1 123 HIS HA . . 3.790 3.390 3.047 3.757 . 0 0 "[ . 1 . 2]" 1 1431 1 85 MET ME 1 123 HIS HB2 . . 3.710 2.676 2.358 3.278 . 0 0 "[ . 1 . 2]" 1 1432 1 85 MET ME 1 123 HIS HB3 . . 4.030 3.869 3.687 4.032 0.002 18 0 "[ . 1 . 2]" 1 1433 1 85 MET QG 1 87 LEU MD1 . . 3.690 2.728 2.445 3.029 . 0 0 "[ . 1 . 2]" 1 1434 1 85 MET QG 1 87 LEU MD2 . . 3.620 2.706 2.265 3.072 . 0 0 "[ . 1 . 2]" 1 1435 1 85 MET QG 1 87 LEU HG . . 3.820 2.235 1.988 2.640 . 0 0 "[ . 1 . 2]" 1 1436 1 85 MET QG 1 102 LEU H . . 5.340 4.485 3.795 4.786 . 0 0 "[ . 1 . 2]" 1 1437 1 85 MET QG 1 102 LEU QB . . 4.760 3.716 3.277 4.162 . 0 0 "[ . 1 . 2]" 1 1438 1 85 MET QG 1 102 LEU MD1 . . 4.090 2.561 2.147 3.136 . 0 0 "[ . 1 . 2]" 1 1439 1 85 MET QG 1 102 LEU HG . . 5.230 3.854 3.286 4.292 . 0 0 "[ . 1 . 2]" 1 1440 1 85 MET HG2 1 86 PHE H . . 4.000 3.307 2.397 3.986 . 0 0 "[ . 1 . 2]" 1 1441 1 85 MET HG2 1 87 LEU MD1 . . 4.240 2.860 2.530 3.108 . 0 0 "[ . 1 . 2]" 1 1442 1 85 MET HG2 1 87 LEU MD2 . . 4.170 3.027 2.474 3.393 . 0 0 "[ . 1 . 2]" 1 1443 1 85 MET HG2 1 87 LEU HG . . 4.550 2.662 2.010 3.427 . 0 0 "[ . 1 . 2]" 1 1444 1 85 MET HG3 1 86 PHE H . . 4.000 2.363 1.950 2.811 . 0 0 "[ . 1 . 2]" 1 1445 1 85 MET HG3 1 87 LEU MD1 . . 4.240 3.651 2.795 4.214 . 0 0 "[ . 1 . 2]" 1 1446 1 85 MET HG3 1 87 LEU MD2 . . 4.170 3.097 2.423 3.609 . 0 0 "[ . 1 . 2]" 1 1447 1 85 MET HG3 1 87 LEU HG . . 4.550 2.949 2.108 3.709 . 0 0 "[ . 1 . 2]" 1 1448 1 86 PHE H 1 86 PHE QB . . 3.450 2.586 2.435 2.683 . 0 0 "[ . 1 . 2]" 1 1449 1 86 PHE H 1 87 LEU H . . 4.850 4.213 3.924 4.414 . 0 0 "[ . 1 . 2]" 1 1450 1 86 PHE HA 1 86 PHE QD . . 4.070 2.679 2.031 3.147 . 0 0 "[ . 1 . 2]" 1 1451 1 86 PHE HA 1 87 LEU H . . 3.110 2.159 2.140 2.245 . 0 0 "[ . 1 . 2]" 1 1452 1 86 PHE HA 1 87 LEU HG . . 4.710 3.714 3.396 4.009 . 0 0 "[ . 1 . 2]" 1 1453 1 86 PHE HA 1 101 LYS HA . . 3.850 2.978 2.858 3.151 . 0 0 "[ . 1 . 2]" 1 1454 1 86 PHE HA 1 101 LYS QG . . 4.720 3.993 3.315 4.569 . 0 0 "[ . 1 . 2]" 1 1455 1 86 PHE HA 1 102 LEU H . . 4.490 3.992 3.525 4.297 . 0 0 "[ . 1 . 2]" 1 1456 1 86 PHE QB 1 87 LEU H . . 4.040 3.779 3.481 3.962 . 0 0 "[ . 1 . 2]" 1 1457 1 86 PHE QB 1 101 LYS HA . . 5.100 4.356 4.020 4.660 . 0 0 "[ . 1 . 2]" 1 1458 1 86 PHE QD 1 87 LEU H . . 4.410 3.643 3.118 4.082 . 0 0 "[ . 1 . 2]" 1 1459 1 86 PHE QD 1 88 GLN HG2 . . 5.280 4.434 4.099 5.066 . 0 0 "[ . 1 . 2]" 1 1460 1 86 PHE QD 1 99 GLN HB2 . . 5.500 4.356 3.860 5.482 . 0 0 "[ . 1 . 2]" 1 1461 1 86 PHE QD 1 99 GLN HB3 . . 5.500 5.054 4.005 5.501 0.001 15 0 "[ . 1 . 2]" 1 1462 1 86 PHE QD 1 101 LYS QB . . 4.360 3.641 3.010 4.184 . 0 0 "[ . 1 . 2]" 1 1463 1 86 PHE QD 1 101 LYS QG . . 4.010 2.975 2.160 4.007 . 0 0 "[ . 1 . 2]" 1 1464 1 86 PHE QE 1 88 GLN HG2 . . 4.600 3.107 2.451 3.987 . 0 0 "[ . 1 . 2]" 1 1465 1 86 PHE QE 1 88 GLN HG3 . . 4.540 2.644 2.009 3.690 . 0 0 "[ . 1 . 2]" 1 1466 1 86 PHE QE 1 99 GLN HB2 . . 4.380 3.082 2.479 4.122 . 0 0 "[ . 1 . 2]" 1 1467 1 86 PHE QE 1 99 GLN QB . . 3.760 2.822 2.430 3.374 . 0 0 "[ . 1 . 2]" 1 1468 1 86 PHE QE 1 99 GLN HB3 . . 4.380 3.524 2.496 4.166 . 0 0 "[ . 1 . 2]" 1 1469 1 86 PHE QE 1 99 GLN HG2 . . 4.730 3.728 2.968 4.621 . 0 0 "[ . 1 . 2]" 1 1470 1 86 PHE QE 1 99 GLN QG . . 4.070 2.905 2.374 3.316 . 0 0 "[ . 1 . 2]" 1 1471 1 86 PHE QE 1 99 GLN HG3 . . 4.730 3.344 2.415 4.721 . 0 0 "[ . 1 . 2]" 1 1472 1 86 PHE QE 1 101 LYS QG . . 5.370 4.292 3.253 5.043 . 0 0 "[ . 1 . 2]" 1 1473 1 87 LEU H 1 87 LEU QB . . 3.540 2.714 2.530 2.896 . 0 0 "[ . 1 . 2]" 1 1474 1 87 LEU H 1 87 LEU MD1 . . 4.130 3.765 3.489 4.036 . 0 0 "[ . 1 . 2]" 1 1475 1 87 LEU H 1 87 LEU MD2 . . 4.440 3.973 3.706 4.221 . 0 0 "[ . 1 . 2]" 1 1476 1 87 LEU H 1 87 LEU HG . . 4.320 2.839 2.558 3.221 . 0 0 "[ . 1 . 2]" 1 1477 1 87 LEU H 1 88 GLN H . . 4.910 4.407 4.139 4.545 . 0 0 "[ . 1 . 2]" 1 1478 1 87 LEU H 1 88 GLN HG3 . . 5.450 4.796 4.284 5.216 . 0 0 "[ . 1 . 2]" 1 1479 1 87 LEU H 1 100 LEU QB . . 4.640 3.188 2.665 3.840 . 0 0 "[ . 1 . 2]" 1 1480 1 87 LEU H 1 101 LYS HA . . 4.190 4.098 3.802 4.202 0.012 8 0 "[ . 1 . 2]" 1 1481 1 87 LEU HA 1 87 LEU MD1 . . 4.400 3.966 3.935 4.030 . 0 0 "[ . 1 . 2]" 1 1482 1 87 LEU HA 1 87 LEU MD2 . . 3.800 2.401 2.151 2.645 . 0 0 "[ . 1 . 2]" 1 1483 1 87 LEU HA 1 87 LEU HG . . 4.230 3.036 2.867 3.190 . 0 0 "[ . 1 . 2]" 1 1484 1 87 LEU HA 1 88 GLN H . . 3.120 2.271 2.140 2.458 . 0 0 "[ . 1 . 2]" 1 1485 1 87 LEU HA 1 88 GLN HG3 . . 5.150 3.962 3.670 4.396 . 0 0 "[ . 1 . 2]" 1 1486 1 87 LEU QB 1 87 LEU MD2 . . 3.220 2.144 2.023 2.261 . 0 0 "[ . 1 . 2]" 1 1487 1 87 LEU QB 1 88 GLN H . . 3.780 2.750 2.324 3.294 . 0 0 "[ . 1 . 2]" 1 1488 1 87 LEU QB 1 100 LEU H . . 4.190 3.614 2.970 4.046 . 0 0 "[ . 1 . 2]" 1 1489 1 87 LEU HB2 1 87 LEU MD1 . . 3.540 2.110 1.992 2.229 . 0 0 "[ . 1 . 2]" 1 1490 1 87 LEU HB2 1 88 GLN H . . 4.360 3.767 3.270 4.179 . 0 0 "[ . 1 . 2]" 1 1491 1 87 LEU HB3 1 87 LEU MD1 . . 3.540 2.587 2.470 2.687 . 0 0 "[ . 1 . 2]" 1 1492 1 87 LEU HB3 1 88 GLN H . . 4.360 2.831 2.368 3.461 . 0 0 "[ . 1 . 2]" 1 1493 1 87 LEU MD1 1 88 GLN H . . 5.500 4.905 4.489 5.350 . 0 0 "[ . 1 . 2]" 1 1494 1 87 LEU MD1 1 100 LEU QB . . 4.260 3.003 2.323 3.688 . 0 0 "[ . 1 . 2]" 1 1495 1 87 LEU MD1 1 100 LEU MD2 . . 3.300 2.585 1.961 3.252 . 0 0 "[ . 1 . 2]" 1 1496 1 87 LEU MD1 1 102 LEU MD1 . . 3.440 2.429 2.093 2.775 . 0 0 "[ . 1 . 2]" 1 1497 1 87 LEU MD1 1 102 LEU HG . . 4.600 3.658 2.973 4.055 . 0 0 "[ . 1 . 2]" 1 1498 1 87 LEU MD1 1 118 TRP HH2 . . 4.310 3.729 3.291 4.152 . 0 0 "[ . 1 . 2]" 1 1499 1 87 LEU MD2 1 88 GLN H . . 4.510 3.702 3.406 4.054 . 0 0 "[ . 1 . 2]" 1 1500 1 87 LEU HG 1 102 LEU MD1 . . 4.100 3.677 3.353 4.042 . 0 0 "[ . 1 . 2]" 1 1501 1 87 LEU HG 1 102 LEU HG . . 4.980 4.620 4.051 4.932 . 0 0 "[ . 1 . 2]" 1 1502 1 88 GLN H 1 88 GLN HB2 . . 3.740 2.588 2.344 2.795 . 0 0 "[ . 1 . 2]" 1 1503 1 88 GLN H 1 88 GLN HB3 . . 3.960 3.740 3.593 3.859 . 0 0 "[ . 1 . 2]" 1 1504 1 88 GLN H 1 88 GLN HG2 . . 4.470 4.027 3.746 4.267 . 0 0 "[ . 1 . 2]" 1 1505 1 88 GLN H 1 88 GLN HG3 . . 4.170 3.263 2.947 3.730 . 0 0 "[ . 1 . 2]" 1 1506 1 88 GLN H 1 89 TYR H . . 4.730 4.390 4.233 4.554 . 0 0 "[ . 1 . 2]" 1 1507 1 88 GLN HA 1 88 GLN HG2 . . 3.930 2.384 2.222 2.657 . 0 0 "[ . 1 . 2]" 1 1508 1 88 GLN HA 1 88 GLN HG3 . . 4.230 3.139 2.896 3.297 . 0 0 "[ . 1 . 2]" 1 1509 1 88 GLN HA 1 89 TYR H . . 3.110 2.200 2.153 2.317 . 0 0 "[ . 1 . 2]" 1 1510 1 88 GLN HA 1 89 TYR QD . . 4.650 3.863 3.585 4.274 . 0 0 "[ . 1 . 2]" 1 1511 1 88 GLN HA 1 97 VAL MG1 . . 4.000 3.636 3.442 3.985 . 0 0 "[ . 1 . 2]" 1 1512 1 88 GLN HA 1 98 THR H . . 5.220 5.070 4.736 5.229 0.009 6 0 "[ . 1 . 2]" 1 1513 1 88 GLN HA 1 99 GLN HA . . 3.820 2.366 2.026 2.784 . 0 0 "[ . 1 . 2]" 1 1514 1 88 GLN HA 1 99 GLN QB . . 4.140 3.633 2.977 4.142 0.002 6 0 "[ . 1 . 2]" 1 1515 1 88 GLN HA 1 100 LEU H . . 3.980 3.650 3.355 3.864 . 0 0 "[ . 1 . 2]" 1 1516 1 88 GLN HB2 1 88 GLN HE21 . . 4.690 3.465 2.295 4.185 . 0 0 "[ . 1 . 2]" 1 1517 1 88 GLN HB2 1 88 GLN QE . . 4.030 3.301 2.279 3.890 . 0 0 "[ . 1 . 2]" 1 1518 1 88 GLN HB2 1 88 GLN HE22 . . 4.690 4.274 3.870 4.648 . 0 0 "[ . 1 . 2]" 1 1519 1 88 GLN HB2 1 89 TYR H . . 4.320 4.136 3.896 4.288 . 0 0 "[ . 1 . 2]" 1 1520 1 88 GLN HB2 1 97 VAL MG1 . . 4.270 3.984 3.357 4.273 0.003 3 0 "[ . 1 . 2]" 1 1521 1 88 GLN HB3 1 88 GLN QE . . 4.340 2.536 2.022 3.218 . 0 0 "[ . 1 . 2]" 1 1522 1 88 GLN HB3 1 89 TYR H . . 3.910 3.055 2.648 3.291 . 0 0 "[ . 1 . 2]" 1 1523 1 88 GLN HB3 1 90 THR MG . . 5.500 4.963 4.723 5.241 . 0 0 "[ . 1 . 2]" 1 1524 1 88 GLN HB3 1 97 VAL MG1 . . 3.870 2.568 1.987 2.842 . 0 0 "[ . 1 . 2]" 1 1525 1 88 GLN QE 1 88 GLN HG2 . . 3.470 2.553 2.141 3.350 . 0 0 "[ . 1 . 2]" 1 1526 1 88 GLN QE 1 97 VAL MG1 . . 3.820 2.500 1.848 3.763 . 0 0 "[ . 1 . 2]" 1 1527 1 88 GLN HE21 1 97 VAL MG1 . . 4.530 2.656 1.868 4.532 0.002 15 0 "[ . 1 . 2]" 1 1528 1 88 GLN HE22 1 97 VAL MG1 . . 4.530 3.438 2.745 4.021 . 0 0 "[ . 1 . 2]" 1 1529 1 88 GLN HG2 1 89 TYR H . . 4.250 4.075 3.713 4.232 . 0 0 "[ . 1 . 2]" 1 1530 1 88 GLN HG2 1 97 VAL MG1 . . 4.000 3.568 3.234 3.853 . 0 0 "[ . 1 . 2]" 1 1531 1 88 GLN HG2 1 99 GLN HA . . 4.710 2.908 2.086 3.556 . 0 0 "[ . 1 . 2]" 1 1532 1 88 GLN HG2 1 100 LEU H . . 5.500 4.244 3.469 4.952 . 0 0 "[ . 1 . 2]" 1 1533 1 88 GLN HG3 1 89 TYR H . . 5.200 5.055 4.789 5.205 0.005 11 0 "[ . 1 . 2]" 1 1534 1 88 GLN HG3 1 97 VAL MG1 . . 4.760 4.626 4.315 4.760 0.000 7 0 "[ . 1 . 2]" 1 1535 1 88 GLN HG3 1 99 GLN HA . . 5.500 4.210 3.528 4.560 . 0 0 "[ . 1 . 2]" 1 1536 1 88 GLN HG3 1 100 LEU H . . 5.500 4.855 4.207 5.340 . 0 0 "[ . 1 . 2]" 1 1537 1 89 TYR H 1 89 TYR QD . . 3.690 3.300 3.192 3.497 . 0 0 "[ . 1 . 2]" 1 1538 1 89 TYR H 1 89 TYR QE . . 4.840 4.437 4.285 4.655 . 0 0 "[ . 1 . 2]" 1 1539 1 89 TYR H 1 90 THR H . . 5.070 4.353 4.285 4.423 . 0 0 "[ . 1 . 2]" 1 1540 1 89 TYR H 1 90 THR HA . . 5.130 4.658 4.579 4.751 . 0 0 "[ . 1 . 2]" 1 1541 1 89 TYR H 1 97 VAL HA . . 5.300 5.039 4.783 5.259 . 0 0 "[ . 1 . 2]" 1 1542 1 89 TYR H 1 97 VAL MG1 . . 3.680 2.810 2.544 3.208 . 0 0 "[ . 1 . 2]" 1 1543 1 89 TYR H 1 98 THR HB . . 4.560 4.031 3.598 4.303 . 0 0 "[ . 1 . 2]" 1 1544 1 89 TYR H 1 99 GLN HA . . 4.130 3.520 3.124 3.887 . 0 0 "[ . 1 . 2]" 1 1545 1 89 TYR HA 1 89 TYR QD . . 4.470 3.725 3.684 3.737 . 0 0 "[ . 1 . 2]" 1 1546 1 89 TYR HA 1 90 THR H . . 3.340 2.342 2.215 2.529 . 0 0 "[ . 1 . 2]" 1 1547 1 89 TYR QB 1 90 THR H . . 3.450 2.551 2.132 2.883 . 0 0 "[ . 1 . 2]" 1 1548 1 89 TYR QD 1 90 THR H . . 3.980 3.620 3.126 3.937 . 0 0 "[ . 1 . 2]" 1 1549 1 89 TYR QD 1 91 VAL HA . . 5.200 4.373 3.998 4.788 . 0 0 "[ . 1 . 2]" 1 1550 1 89 TYR QD 1 91 VAL MG2 . . 3.700 2.701 2.252 3.125 . 0 0 "[ . 1 . 2]" 1 1551 1 89 TYR QD 1 98 THR HB . . 4.720 3.152 2.803 3.577 . 0 0 "[ . 1 . 2]" 1 1552 1 89 TYR QD 1 98 THR MG . . 4.310 4.081 3.772 4.285 . 0 0 "[ . 1 . 2]" 1 1553 1 89 TYR QD 1 100 LEU MD1 . . 5.360 4.827 4.332 5.298 . 0 0 "[ . 1 . 2]" 1 1554 1 89 TYR QE 1 91 VAL MG2 . . 3.410 2.776 2.096 3.218 . 0 0 "[ . 1 . 2]" 1 1555 1 89 TYR QE 1 98 THR HB . . 4.230 2.566 2.098 2.929 . 0 0 "[ . 1 . 2]" 1 1556 1 89 TYR QE 1 98 THR MG . . 3.740 2.690 2.264 3.025 . 0 0 "[ . 1 . 2]" 1 1557 1 89 TYR QE 1 100 LEU H . . 5.470 4.206 3.495 4.729 . 0 0 "[ . 1 . 2]" 1 1558 1 89 TYR QE 1 100 LEU HB2 . . 4.460 2.141 2.012 2.380 . 0 0 "[ . 1 . 2]" 1 1559 1 89 TYR QE 1 100 LEU QB . . 3.860 2.112 1.994 2.322 . 0 0 "[ . 1 . 2]" 1 1560 1 89 TYR QE 1 100 LEU HB3 . . 4.460 3.289 2.825 3.695 . 0 0 "[ . 1 . 2]" 1 1561 1 89 TYR QE 1 100 LEU MD1 . . 3.830 2.888 2.280 3.392 . 0 0 "[ . 1 . 2]" 1 1562 1 89 TYR QE 1 100 LEU MD2 . . 4.390 2.946 2.368 3.544 . 0 0 "[ . 1 . 2]" 1 1563 1 89 TYR QE 1 100 LEU HG . . 4.910 4.677 4.398 4.882 . 0 0 "[ . 1 . 2]" 1 1564 1 90 THR H 1 90 THR HB . . 3.990 3.713 3.634 3.790 . 0 0 "[ . 1 . 2]" 1 1565 1 90 THR H 1 90 THR MG . . 3.860 2.779 2.514 3.087 . 0 0 "[ . 1 . 2]" 1 1566 1 90 THR H 1 91 VAL H . . 4.750 4.496 4.393 4.554 . 0 0 "[ . 1 . 2]" 1 1567 1 90 THR HA 1 90 THR MG . . 3.130 2.311 2.162 2.409 . 0 0 "[ . 1 . 2]" 1 1568 1 90 THR HA 1 91 VAL H . . 2.890 2.224 2.160 2.379 . 0 0 "[ . 1 . 2]" 1 1569 1 90 THR HA 1 91 VAL HB . . 4.920 4.603 4.489 4.804 . 0 0 "[ . 1 . 2]" 1 1570 1 90 THR HA 1 91 VAL MG2 . . 4.270 3.568 3.263 3.819 . 0 0 "[ . 1 . 2]" 1 1571 1 90 THR HA 1 97 VAL HA . . 4.160 2.888 2.564 3.196 . 0 0 "[ . 1 . 2]" 1 1572 1 90 THR HA 1 98 THR H . . 4.370 3.059 2.758 3.360 . 0 0 "[ . 1 . 2]" 1 1573 1 90 THR HB 1 91 VAL H . . 3.220 2.920 2.450 3.197 . 0 0 "[ . 1 . 2]" 1 1574 1 90 THR HB 1 91 VAL HA . . 4.900 4.642 4.452 4.826 . 0 0 "[ . 1 . 2]" 1 1575 1 90 THR HB 1 97 VAL HA . . 4.550 4.322 3.858 4.549 . 0 0 "[ . 1 . 2]" 1 1576 1 90 THR HB 1 97 VAL MG2 . . 4.660 4.147 3.773 4.551 . 0 0 "[ . 1 . 2]" 1 1577 1 90 THR MG 1 91 VAL H . . 3.890 3.800 3.528 3.891 0.001 11 0 "[ . 1 . 2]" 1 1578 1 90 THR MG 1 97 VAL HA . . 3.480 2.751 2.200 3.115 . 0 0 "[ . 1 . 2]" 1 1579 1 90 THR MG 1 97 VAL MG1 . . 3.430 2.526 2.072 2.831 . 0 0 "[ . 1 . 2]" 1 1580 1 90 THR MG 1 97 VAL MG2 . . 3.580 2.072 1.761 2.353 . 0 0 "[ . 1 . 2]" 1 1581 1 90 THR MG 1 98 THR H . . 4.340 3.808 3.128 4.168 . 0 0 "[ . 1 . 2]" 1 1582 1 91 VAL H 1 91 VAL HB . . 3.280 2.551 2.421 2.711 . 0 0 "[ . 1 . 2]" 1 1583 1 91 VAL H 1 91 VAL MG1 . . 4.280 3.803 3.749 3.872 . 0 0 "[ . 1 . 2]" 1 1584 1 91 VAL H 1 91 VAL MG2 . . 3.340 2.622 2.123 2.883 . 0 0 "[ . 1 . 2]" 1 1585 1 91 VAL H 1 94 THR MG . . 4.590 3.249 2.198 4.598 0.008 3 0 "[ . 1 . 2]" 1 1586 1 91 VAL H 1 97 VAL HA . . 4.300 4.093 3.561 4.295 . 0 0 "[ . 1 . 2]" 1 1587 1 91 VAL HA 1 91 VAL MG1 . . 3.440 2.445 2.331 2.494 . 0 0 "[ . 1 . 2]" 1 1588 1 91 VAL HA 1 91 VAL MG2 . . 3.310 2.355 2.222 2.556 . 0 0 "[ . 1 . 2]" 1 1589 1 91 VAL HA 1 92 PRO HB3 . . 4.880 4.839 4.830 4.855 . 0 0 "[ . 1 . 2]" 1 1590 1 91 VAL HA 1 92 PRO HD2 . . 3.500 2.118 2.034 2.184 . 0 0 "[ . 1 . 2]" 1 1591 1 91 VAL HA 1 92 PRO HD3 . . 3.430 2.261 2.252 2.283 . 0 0 "[ . 1 . 2]" 1 1592 1 91 VAL HA 1 92 PRO HG2 . . 4.560 4.287 4.222 4.339 . 0 0 "[ . 1 . 2]" 1 1593 1 91 VAL HA 1 92 PRO HG3 . . 4.560 4.340 4.318 4.362 . 0 0 "[ . 1 . 2]" 1 1594 1 91 VAL HB 1 92 PRO HD2 . . 4.370 4.048 3.898 4.208 . 0 0 "[ . 1 . 2]" 1 1595 1 91 VAL HB 1 92 PRO HD3 . . 5.100 4.935 4.848 5.020 . 0 0 "[ . 1 . 2]" 1 1596 1 91 VAL HB 1 94 THR H . . 4.290 3.797 3.072 4.291 0.001 19 0 "[ . 1 . 2]" 1 1597 1 91 VAL HB 1 94 THR HB . . 3.750 2.818 1.990 3.727 . 0 0 "[ . 1 . 2]" 1 1598 1 91 VAL HB 1 94 THR MG . . 3.590 2.350 1.782 3.316 . 0 0 "[ . 1 . 2]" 1 1599 1 91 VAL MG1 1 92 PRO HD2 . . 3.650 1.902 1.810 2.155 . 0 0 "[ . 1 . 2]" 1 1600 1 91 VAL MG1 1 92 PRO HD3 . . 3.930 3.253 3.141 3.435 . 0 0 "[ . 1 . 2]" 1 1601 1 91 VAL MG1 1 92 PRO QG . . 4.590 2.967 2.839 3.154 . 0 0 "[ . 1 . 2]" 1 1602 1 91 VAL MG1 1 94 THR H . . 4.270 3.330 2.092 4.102 . 0 0 "[ . 1 . 2]" 1 1603 1 91 VAL MG1 1 94 THR HB . . 4.110 2.966 2.152 3.791 . 0 0 "[ . 1 . 2]" 1 1604 1 91 VAL MG1 1 94 THR MG . . 3.600 3.182 2.422 3.610 0.010 7 0 "[ . 1 . 2]" 1 1605 1 91 VAL MG2 1 92 PRO HD2 . . 3.730 3.394 3.237 3.732 0.002 9 0 "[ . 1 . 2]" 1 1606 1 91 VAL MG2 1 92 PRO HD3 . . 4.390 4.135 4.025 4.405 0.015 9 0 "[ . 1 . 2]" 1 1607 1 91 VAL MG2 1 98 THR HB . . 4.770 3.203 2.611 3.544 . 0 0 "[ . 1 . 2]" 1 1608 1 92 PRO HA 1 93 GLY QA . . 4.380 3.994 3.897 4.421 0.041 7 0 "[ . 1 . 2]" 1 1609 1 92 PRO HA 1 94 THR H . . 4.380 3.950 3.690 4.213 . 0 0 "[ . 1 . 2]" 1 1610 1 93 GLY H 1 94 THR H . . 3.770 2.519 1.801 3.210 . 0 0 "[ . 1 . 2]" 1 1611 1 94 THR H 1 94 THR HB . . 3.300 2.751 2.387 3.141 . 0 0 "[ . 1 . 2]" 1 1612 1 94 THR H 1 94 THR MG . . 3.930 2.810 2.086 3.950 0.020 6 0 "[ . 1 . 2]" 1 1613 1 94 THR H 1 95 GLU H . . 4.680 4.482 4.311 4.593 . 0 0 "[ . 1 . 2]" 1 1614 1 94 THR HA 1 94 THR MG . . 3.290 2.956 2.385 3.205 . 0 0 "[ . 1 . 2]" 1 1615 1 94 THR HA 1 95 GLU H . . 3.010 2.400 2.187 2.593 . 0 0 "[ . 1 . 2]" 1 1616 1 94 THR HB 1 95 GLU H . . 4.100 3.879 3.699 4.101 0.001 10 0 "[ . 1 . 2]" 1 1617 1 94 THR MG 1 95 GLU H . . 3.750 2.611 1.879 3.314 . 0 0 "[ . 1 . 2]" 1 1618 1 94 THR MG 1 95 GLU HA . . 3.900 3.618 3.346 3.851 . 0 0 "[ . 1 . 2]" 1 1619 1 94 THR MG 1 96 GLY H . . 4.340 3.837 3.310 4.270 . 0 0 "[ . 1 . 2]" 1 1620 1 95 GLU H 1 95 GLU HB2 . . 3.720 2.987 2.355 3.717 . 0 0 "[ . 1 . 2]" 1 1621 1 95 GLU H 1 95 GLU QB . . 3.140 2.642 2.325 3.133 . 0 0 "[ . 1 . 2]" 1 1622 1 95 GLU H 1 95 GLU HB3 . . 3.720 3.390 2.414 3.728 0.008 4 0 "[ . 1 . 2]" 1 1623 1 95 GLU H 1 95 GLU HG2 . . 4.570 3.093 1.899 4.306 . 0 0 "[ . 1 . 2]" 1 1624 1 95 GLU H 1 95 GLU QG . . 3.880 2.592 1.871 3.854 . 0 0 "[ . 1 . 2]" 1 1625 1 95 GLU H 1 95 GLU HG3 . . 4.570 3.200 2.042 4.506 . 0 0 "[ . 1 . 2]" 1 1626 1 95 GLU H 1 96 GLY H . . 4.480 4.325 4.147 4.499 0.019 8 0 "[ . 1 . 2]" 1 1627 1 95 GLU HA 1 96 GLY H . . 2.810 2.153 2.142 2.236 . 0 0 "[ . 1 . 2]" 1 1628 1 95 GLU HA 1 96 GLY QA . . 5.280 3.911 3.893 3.983 . 0 0 "[ . 1 . 2]" 1 1629 1 95 GLU QB 1 96 GLY H . . 3.530 3.392 3.168 3.534 0.004 8 0 "[ . 1 . 2]" 1 1630 1 95 GLU HB2 1 96 GLY H . . 4.400 4.012 3.351 4.413 0.013 7 0 "[ . 1 . 2]" 1 1631 1 95 GLU HB3 1 96 GLY H . . 4.400 3.837 3.278 4.392 . 0 0 "[ . 1 . 2]" 1 1632 1 95 GLU HG2 1 96 GLY H . . 5.500 4.867 3.319 5.483 . 0 0 "[ . 1 . 2]" 1 1633 1 95 GLU HG3 1 96 GLY H . . 5.500 4.812 2.181 5.451 . 0 0 "[ . 1 . 2]" 1 1634 1 96 GLY H 1 97 VAL MG2 . . 4.590 4.401 4.005 4.592 0.002 6 0 "[ . 1 . 2]" 1 1635 1 96 GLY QA 1 97 VAL HA . . 5.050 3.945 3.942 3.953 . 0 0 "[ . 1 . 2]" 1 1636 1 96 GLY QA 1 97 VAL MG2 . . 3.920 3.221 3.045 3.396 . 0 0 "[ . 1 . 2]" 1 1637 1 96 GLY HA2 1 97 VAL H . . 2.940 2.639 2.353 2.910 . 0 0 "[ . 1 . 2]" 1 1638 1 96 GLY HA2 1 97 VAL MG2 . . 4.470 3.344 3.159 3.540 . 0 0 "[ . 1 . 2]" 1 1639 1 96 GLY HA3 1 97 VAL H . . 2.940 2.498 2.271 2.796 . 0 0 "[ . 1 . 2]" 1 1640 1 96 GLY HA3 1 97 VAL MG2 . . 4.470 4.208 3.985 4.452 . 0 0 "[ . 1 . 2]" 1 1641 1 97 VAL H 1 97 VAL HB . . 3.260 2.632 2.535 2.734 . 0 0 "[ . 1 . 2]" 1 1642 1 97 VAL H 1 97 VAL MG1 . . 3.980 3.846 3.804 3.891 . 0 0 "[ . 1 . 2]" 1 1643 1 97 VAL H 1 97 VAL MG2 . . 3.030 2.734 2.523 2.919 . 0 0 "[ . 1 . 2]" 1 1644 1 97 VAL H 1 98 THR H . . 4.530 4.462 4.397 4.520 . 0 0 "[ . 1 . 2]" 1 1645 1 97 VAL HA 1 97 VAL MG1 . . 3.380 2.366 2.290 2.461 . 0 0 "[ . 1 . 2]" 1 1646 1 97 VAL HA 1 97 VAL MG2 . . 3.680 2.386 2.272 2.493 . 0 0 "[ . 1 . 2]" 1 1647 1 97 VAL HA 1 98 THR H . . 2.890 2.217 2.171 2.297 . 0 0 "[ . 1 . 2]" 1 1648 1 97 VAL HA 1 98 THR HB . . 4.650 4.616 4.486 4.652 0.002 6 0 "[ . 1 . 2]" 1 1649 1 97 VAL HB 1 98 THR H . . 4.090 3.961 3.715 4.090 0.000 15 0 "[ . 1 . 2]" 1 1650 1 97 VAL MG1 1 98 THR H . . 3.520 2.085 1.879 2.412 . 0 0 "[ . 1 . 2]" 1 1651 1 97 VAL MG2 1 98 THR H . . 4.250 3.925 3.837 4.035 . 0 0 "[ . 1 . 2]" 1 1652 1 98 THR H 1 98 THR HB . . 3.470 2.585 2.469 2.707 . 0 0 "[ . 1 . 2]" 1 1653 1 98 THR H 1 98 THR MG . . 4.020 3.832 3.764 3.884 . 0 0 "[ . 1 . 2]" 1 1654 1 98 THR H 1 99 GLN H . . 4.660 4.473 4.400 4.558 . 0 0 "[ . 1 . 2]" 1 1655 1 98 THR HA 1 98 THR MG . . 3.360 2.359 2.268 2.456 . 0 0 "[ . 1 . 2]" 1 1656 1 98 THR HA 1 99 GLN H . . 2.900 2.200 2.157 2.306 . 0 0 "[ . 1 . 2]" 1 1657 1 98 THR HA 1 99 GLN HA . . 4.500 4.392 4.379 4.420 . 0 0 "[ . 1 . 2]" 1 1658 1 98 THR HA 1 99 GLN QB . . 4.680 4.305 4.137 4.521 . 0 0 "[ . 1 . 2]" 1 1659 1 98 THR HB 1 99 GLN H . . 4.250 4.032 3.768 4.172 . 0 0 "[ . 1 . 2]" 1 1660 1 98 THR MG 1 99 GLN H . . 3.220 2.239 1.941 2.542 . 0 0 "[ . 1 . 2]" 1 1661 1 98 THR MG 1 99 GLN HA . . 4.820 3.718 3.541 3.878 . 0 0 "[ . 1 . 2]" 1 1662 1 99 GLN H 1 99 GLN HB2 . . 4.140 3.528 2.563 3.826 . 0 0 "[ . 1 . 2]" 1 1663 1 99 GLN H 1 99 GLN HB3 . . 4.140 3.093 2.744 3.796 . 0 0 "[ . 1 . 2]" 1 1664 1 99 GLN H 1 99 GLN HG2 . . 4.140 3.092 1.914 4.128 . 0 0 "[ . 1 . 2]" 1 1665 1 99 GLN H 1 99 GLN QG . . 3.600 2.646 1.903 3.333 . 0 0 "[ . 1 . 2]" 1 1666 1 99 GLN H 1 99 GLN HG3 . . 4.140 3.390 2.078 3.939 . 0 0 "[ . 1 . 2]" 1 1667 1 99 GLN H 1 100 LEU H . . 4.770 4.500 4.436 4.543 . 0 0 "[ . 1 . 2]" 1 1668 1 99 GLN HA 1 100 LEU H . . 3.080 2.315 2.193 2.493 . 0 0 "[ . 1 . 2]" 1 1669 1 99 GLN QB 1 100 LEU H . . 3.560 2.656 2.230 2.969 . 0 0 "[ . 1 . 2]" 1 1670 1 99 GLN HB2 1 100 LEU H . . 4.120 2.905 2.309 3.869 . 0 0 "[ . 1 . 2]" 1 1671 1 99 GLN HB3 1 100 LEU H . . 4.120 3.690 2.262 4.123 0.003 11 0 "[ . 1 . 2]" 1 1672 1 99 GLN QG 1 100 LEU H . . 4.190 3.769 2.997 4.181 . 0 0 "[ . 1 . 2]" 1 1673 1 99 GLN HG2 1 100 LEU H . . 4.980 4.200 3.064 4.886 . 0 0 "[ . 1 . 2]" 1 1674 1 99 GLN HG3 1 100 LEU H . . 4.980 4.478 3.770 4.934 . 0 0 "[ . 1 . 2]" 1 1675 1 100 LEU H 1 100 LEU QB . . 3.640 2.548 2.391 2.694 . 0 0 "[ . 1 . 2]" 1 1676 1 100 LEU H 1 100 LEU MD1 . . 5.020 4.240 4.034 4.444 . 0 0 "[ . 1 . 2]" 1 1677 1 100 LEU H 1 100 LEU HG . . 4.800 4.623 4.532 4.705 . 0 0 "[ . 1 . 2]" 1 1678 1 100 LEU HA 1 100 LEU MD1 . . 4.400 2.458 2.242 2.656 . 0 0 "[ . 1 . 2]" 1 1679 1 100 LEU HA 1 100 LEU MD2 . . 3.930 3.842 3.787 3.919 . 0 0 "[ . 1 . 2]" 1 1680 1 100 LEU HA 1 101 LYS H . . 3.210 2.189 2.138 2.360 . 0 0 "[ . 1 . 2]" 1 1681 1 100 LEU QB 1 100 LEU MD1 . . 2.900 2.077 1.978 2.219 . 0 0 "[ . 1 . 2]" 1 1682 1 100 LEU QB 1 100 LEU MD2 . . 3.000 2.043 1.957 2.098 . 0 0 "[ . 1 . 2]" 1 1683 1 100 LEU QB 1 101 LYS H . . 3.880 3.615 3.194 3.855 . 0 0 "[ . 1 . 2]" 1 1684 1 100 LEU HB2 1 100 LEU MD1 . . 3.310 2.108 2.001 2.266 . 0 0 "[ . 1 . 2]" 1 1685 1 100 LEU HB2 1 101 LYS H . . 4.630 4.298 4.016 4.488 . 0 0 "[ . 1 . 2]" 1 1686 1 100 LEU HB3 1 100 LEU MD1 . . 3.310 3.138 3.106 3.176 . 0 0 "[ . 1 . 2]" 1 1687 1 100 LEU HB3 1 101 LYS H . . 4.630 3.896 3.344 4.233 . 0 0 "[ . 1 . 2]" 1 1688 1 100 LEU MD1 1 101 LYS H . . 4.630 3.406 2.898 3.963 . 0 0 "[ . 1 . 2]" 1 1689 1 100 LEU HG 1 102 LEU MD2 . . 3.700 2.976 2.548 3.501 . 0 0 "[ . 1 . 2]" 1 1690 1 101 LYS H 1 101 LYS HB2 . . 3.790 2.740 2.501 3.201 . 0 0 "[ . 1 . 2]" 1 1691 1 101 LYS H 1 101 LYS HB3 . . 3.790 2.843 2.637 3.047 . 0 0 "[ . 1 . 2]" 1 1692 1 101 LYS H 1 102 LEU H . . 4.610 4.406 4.225 4.533 . 0 0 "[ . 1 . 2]" 1 1693 1 101 LYS H 1 102 LEU MD2 . . 4.410 4.190 3.526 4.406 . 0 0 "[ . 1 . 2]" 1 1694 1 101 LYS H 1 102 LEU HG . . 5.190 4.533 4.194 4.854 . 0 0 "[ . 1 . 2]" 1 1695 1 101 LYS HA 1 101 LYS QG . . 3.900 2.295 2.182 2.439 . 0 0 "[ . 1 . 2]" 1 1696 1 101 LYS HA 1 102 LEU H . . 3.190 2.179 2.141 2.242 . 0 0 "[ . 1 . 2]" 1 1697 1 101 LYS QB 1 101 LYS QD . . 3.290 2.178 2.089 2.457 . 0 0 "[ . 1 . 2]" 1 1698 1 101 LYS QB 1 101 LYS QE . . 4.460 2.952 2.077 3.637 . 0 0 "[ . 1 . 2]" 1 1699 1 101 LYS QB 1 102 LEU H . . 4.220 3.625 3.419 3.836 . 0 0 "[ . 1 . 2]" 1 1700 1 101 LYS HB2 1 102 LEU H . . 4.840 4.320 4.053 4.489 . 0 0 "[ . 1 . 2]" 1 1701 1 101 LYS HB3 1 102 LEU H . . 4.840 3.899 3.615 4.164 . 0 0 "[ . 1 . 2]" 1 1702 1 101 LYS HE2 1 101 LYS QG . . 3.900 2.607 2.105 3.398 . 0 0 "[ . 1 . 2]" 1 1703 1 101 LYS HE3 1 101 LYS QG . . 3.900 2.606 2.085 3.431 . 0 0 "[ . 1 . 2]" 1 1704 1 101 LYS QG 1 102 LEU H . . 3.470 2.711 2.309 3.161 . 0 0 "[ . 1 . 2]" 1 1705 1 102 LEU H 1 102 LEU QB . . 3.430 2.625 2.503 2.796 . 0 0 "[ . 1 . 2]" 1 1706 1 102 LEU H 1 102 LEU MD1 . . 4.090 3.943 3.816 4.091 0.001 6 0 "[ . 1 . 2]" 1 1707 1 102 LEU H 1 102 LEU MD2 . . 4.160 3.789 3.592 3.943 . 0 0 "[ . 1 . 2]" 1 1708 1 102 LEU H 1 102 LEU HG . . 3.920 2.843 2.584 3.012 . 0 0 "[ . 1 . 2]" 1 1709 1 102 LEU H 1 103 THR H . . 4.970 4.413 4.206 4.517 . 0 0 "[ . 1 . 2]" 1 1710 1 102 LEU HA 1 102 LEU MD1 . . 4.390 3.918 3.885 3.998 . 0 0 "[ . 1 . 2]" 1 1711 1 102 LEU HA 1 102 LEU MD2 . . 3.590 2.213 1.980 2.549 . 0 0 "[ . 1 . 2]" 1 1712 1 102 LEU HA 1 103 THR H . . 3.240 2.206 2.139 2.305 . 0 0 "[ . 1 . 2]" 1 1713 1 102 LEU QB 1 102 LEU MD1 . . 3.150 2.062 1.976 2.099 . 0 0 "[ . 1 . 2]" 1 1714 1 102 LEU QB 1 102 LEU MD2 . . 3.180 2.214 2.057 2.314 . 0 0 "[ . 1 . 2]" 1 1715 1 102 LEU HB2 1 103 THR H . . 4.260 3.962 3.762 4.131 . 0 0 "[ . 1 . 2]" 1 1716 1 102 LEU HB3 1 103 THR H . . 4.260 3.009 2.657 3.469 . 0 0 "[ . 1 . 2]" 1 1717 1 102 LEU MD1 1 118 TRP HH2 . . 4.160 3.715 3.360 4.111 . 0 0 "[ . 1 . 2]" 1 1718 1 102 LEU MD1 1 118 TRP HZ3 . . 3.690 3.045 2.759 3.235 . 0 0 "[ . 1 . 2]" 1 1719 1 102 LEU MD1 1 119 LEU MD2 . . 4.000 2.919 2.411 3.508 . 0 0 "[ . 1 . 2]" 1 1720 1 102 LEU MD2 1 103 THR H . . 4.080 3.601 3.382 4.041 . 0 0 "[ . 1 . 2]" 1 1721 1 102 LEU MD2 1 118 TRP HZ3 . . 5.500 5.323 4.760 5.500 . 0 0 "[ . 1 . 2]" 1 1722 1 103 THR H 1 103 THR HB . . 3.720 2.872 2.747 3.022 . 0 0 "[ . 1 . 2]" 1 1723 1 103 THR H 1 103 THR MG . . 4.060 3.948 3.903 4.000 . 0 0 "[ . 1 . 2]" 1 1724 1 103 THR H 1 104 VAL H . . 4.670 4.368 4.191 4.495 . 0 0 "[ . 1 . 2]" 1 1725 1 103 THR HA 1 103 THR MG . . 3.540 2.287 2.149 2.389 . 0 0 "[ . 1 . 2]" 1 1726 1 103 THR HA 1 104 VAL H . . 3.220 2.255 2.151 2.412 . 0 0 "[ . 1 . 2]" 1 1727 1 103 THR HA 1 104 VAL MG2 . . 4.290 3.617 3.194 3.850 . 0 0 "[ . 1 . 2]" 1 1728 1 103 THR HB 1 104 VAL H . . 4.280 3.822 3.298 4.141 . 0 0 "[ . 1 . 2]" 1 1729 1 103 THR MG 1 104 VAL H . . 3.690 2.113 1.869 2.692 . 0 0 "[ . 1 . 2]" 1 1730 1 104 VAL H 1 104 VAL HB . . 3.520 2.510 2.382 2.661 . 0 0 "[ . 1 . 2]" 1 1731 1 104 VAL H 1 104 VAL MG2 . . 3.210 2.294 2.005 2.508 . 0 0 "[ . 1 . 2]" 1 1732 1 104 VAL H 1 105 VAL H . . 5.350 4.549 4.432 4.623 . 0 0 "[ . 1 . 2]" 1 1733 1 104 VAL HA 1 104 VAL MG2 . . 3.250 2.346 2.236 2.530 . 0 0 "[ . 1 . 2]" 1 1734 1 104 VAL HA 1 105 VAL H . . 3.520 2.172 2.140 2.261 . 0 0 "[ . 1 . 2]" 1 1735 1 104 VAL HA 1 115 ALA MB . . 4.500 3.435 2.996 4.185 . 0 0 "[ . 1 . 2]" 1 1736 1 104 VAL HB 1 105 VAL H . . 4.250 4.118 3.791 4.265 0.015 11 0 "[ . 1 . 2]" 1 1737 1 104 VAL HB 1 112 ARG QD . . 4.160 3.553 2.769 4.163 0.003 17 0 "[ . 1 . 2]" 1 1738 1 104 VAL MG1 1 105 VAL H . . 3.950 2.383 1.981 2.748 . 0 0 "[ . 1 . 2]" 1 1739 1 104 VAL MG1 1 112 ARG HA . . 4.150 2.628 2.113 3.440 . 0 0 "[ . 1 . 2]" 1 1740 1 104 VAL MG1 1 112 ARG HD2 . . 4.470 3.295 2.049 4.299 . 0 0 "[ . 1 . 2]" 1 1741 1 104 VAL MG1 1 112 ARG QD . . 3.850 2.357 1.946 3.469 . 0 0 "[ . 1 . 2]" 1 1742 1 104 VAL MG1 1 112 ARG HD3 . . 4.470 2.589 1.958 3.994 . 0 0 "[ . 1 . 2]" 1 1743 1 104 VAL MG1 1 115 ALA MB . . 3.540 2.429 1.917 3.260 . 0 0 "[ . 1 . 2]" 1 1744 1 104 VAL MG2 1 105 VAL H . . 4.120 3.980 3.825 4.121 0.001 19 0 "[ . 1 . 2]" 1 1745 1 104 VAL MG2 1 112 ARG HA . . 4.100 3.728 2.946 4.103 0.003 10 0 "[ . 1 . 2]" 1 1746 1 104 VAL MG2 1 112 ARG HD2 . . 4.360 3.811 2.862 4.361 0.001 9 0 "[ . 1 . 2]" 1 1747 1 104 VAL MG2 1 112 ARG QD . . 3.760 3.109 2.566 3.761 0.001 10 0 "[ . 1 . 2]" 1 1748 1 104 VAL MG2 1 112 ARG HD3 . . 4.360 3.485 2.595 4.357 . 0 0 "[ . 1 . 2]" 1 1749 1 104 VAL MG2 1 115 ALA MB . . 3.030 2.064 1.865 2.350 . 0 0 "[ . 1 . 2]" 1 1750 1 104 VAL MG2 1 116 VAL H . . 3.640 3.411 3.079 3.597 . 0 0 "[ . 1 . 2]" 1 1751 1 104 VAL MG2 1 116 VAL HA . . 4.220 3.756 3.165 4.234 0.014 17 0 "[ . 1 . 2]" 1 1752 1 104 VAL MG2 1 116 VAL MG2 . . 3.150 2.725 2.076 3.043 . 0 0 "[ . 1 . 2]" 1 1753 1 104 VAL MG2 1 119 LEU MD1 . . 3.240 2.456 1.992 2.963 . 0 0 "[ . 1 . 2]" 1 1754 1 105 VAL H 1 105 VAL HB . . 3.910 3.016 2.541 3.857 . 0 0 "[ . 1 . 2]" 1 1755 1 105 VAL H 1 105 VAL QG . . 3.500 2.175 1.901 2.808 . 0 0 "[ . 1 . 2]" 1 1756 1 105 VAL H 1 106 GLU H . . 4.870 4.314 2.181 4.639 . 0 0 "[ . 1 . 2]" 1 1757 1 105 VAL HA 1 105 VAL MG1 . . 3.490 2.469 2.102 3.194 . 0 0 "[ . 1 . 2]" 1 1758 1 105 VAL HA 1 105 VAL QG . . 3.030 2.159 2.032 2.316 . 0 0 "[ . 1 . 2]" 1 1759 1 105 VAL HA 1 105 VAL MG2 . . 3.490 2.632 2.272 3.201 . 0 0 "[ . 1 . 2]" 1 1760 1 105 VAL HA 1 106 GLU H . . 3.040 2.349 2.176 3.169 0.129 16 0 "[ . 1 . 2]" 1 1761 1 105 VAL HB 1 106 GLU H . . 4.070 3.558 2.150 4.079 0.009 3 0 "[ . 1 . 2]" 1 1762 1 105 VAL QG 1 106 GLU H . . 3.430 2.588 1.843 3.676 0.246 19 0 "[ . 1 . 2]" 1 1763 1 105 VAL MG1 1 106 GLU H . . 4.220 3.094 1.949 4.325 0.105 16 0 "[ . 1 . 2]" 1 1764 1 105 VAL MG2 1 106 GLU H . . 4.220 3.494 1.852 4.074 . 0 0 "[ . 1 . 2]" 1 1765 1 106 GLU H 1 106 GLU HB2 . . 3.770 3.191 2.219 3.776 0.006 13 0 "[ . 1 . 2]" 1 1766 1 106 GLU H 1 106 GLU QB . . 3.210 2.667 2.196 3.171 . 0 0 "[ . 1 . 2]" 1 1767 1 106 GLU H 1 106 GLU HB3 . . 3.770 3.240 2.607 3.760 . 0 0 "[ . 1 . 2]" 1 1768 1 106 GLU H 1 106 GLU HG2 . . 3.960 2.902 1.897 3.937 . 0 0 "[ . 1 . 2]" 1 1769 1 106 GLU H 1 106 GLU QG . . 3.450 2.402 1.865 3.181 . 0 0 "[ . 1 . 2]" 1 1770 1 106 GLU H 1 106 GLU HG3 . . 3.960 3.037 1.893 3.972 0.012 10 0 "[ . 1 . 2]" 1 1771 1 106 GLU H 1 107 ASP H . . 4.420 3.157 1.792 4.502 0.082 10 0 "[ . 1 . 2]" 1 1772 1 106 GLU HA 1 106 GLU HG2 . . 4.020 3.220 2.236 4.125 0.105 9 0 "[ . 1 . 2]" 1 1773 1 106 GLU HA 1 106 GLU QG . . 3.530 2.934 2.185 3.390 . 0 0 "[ . 1 . 2]" 1 1774 1 106 GLU HA 1 106 GLU HG3 . . 4.020 3.569 3.067 4.199 0.179 10 0 "[ . 1 . 2]" 1 1775 1 106 GLU HA 1 107 ASP H . . 3.510 2.833 2.138 3.567 0.057 7 0 "[ . 1 . 2]" 1 1776 1 106 GLU QB 1 107 ASP H . . 4.390 3.343 2.203 4.046 . 0 0 "[ . 1 . 2]" 1 1777 1 106 GLU QG 1 107 ASP H . . 4.720 3.856 2.298 4.551 . 0 0 "[ . 1 . 2]" 1 1778 1 107 ASP H 1 107 ASP QB . . 3.520 2.636 2.224 3.024 . 0 0 "[ . 1 . 2]" 1 1779 1 107 ASP QB 1 108 VAL H . . 3.920 2.766 1.921 3.921 0.001 16 0 "[ . 1 . 2]" 1 1780 1 107 ASP QB 1 108 VAL HA . . 4.640 4.301 3.747 4.638 . 0 0 "[ . 1 . 2]" 1 1781 1 108 VAL H 1 108 VAL HB . . 3.830 2.984 2.392 3.833 0.003 16 0 "[ . 1 . 2]" 1 1782 1 108 VAL H 1 108 VAL MG1 . . 4.090 2.404 1.891 3.767 . 0 0 "[ . 1 . 2]" 1 1783 1 108 VAL H 1 108 VAL QG . . 3.500 2.082 1.832 2.611 . 0 0 "[ . 1 . 2]" 1 1784 1 108 VAL H 1 108 VAL MG2 . . 4.090 3.175 1.979 4.040 . 0 0 "[ . 1 . 2]" 1 1785 1 108 VAL HA 1 108 VAL MG1 . . 3.430 2.881 2.325 3.204 . 0 0 "[ . 1 . 2]" 1 1786 1 108 VAL HA 1 108 VAL QG . . 2.980 2.245 2.070 2.401 . 0 0 "[ . 1 . 2]" 1 1787 1 108 VAL HA 1 108 VAL MG2 . . 3.430 2.525 2.194 3.203 . 0 0 "[ . 1 . 2]" 1 1788 1 108 VAL QG 1 109 THR HB . . 4.470 3.691 2.850 4.470 0.000 14 0 "[ . 1 . 2]" 1 1789 1 108 VAL QG 1 109 THR MG . . 4.140 3.465 1.919 4.146 0.006 4 0 "[ . 1 . 2]" 1 1790 1 109 THR HA 1 109 THR MG . . 3.420 2.298 2.168 2.524 . 0 0 "[ . 1 . 2]" 1 1791 1 109 THR HB 1 110 VAL H . . 4.090 3.019 1.972 4.095 0.005 15 0 "[ . 1 . 2]" 1 1792 1 109 THR HB 1 110 VAL HA . . 4.900 4.581 4.044 4.892 . 0 0 "[ . 1 . 2]" 1 1793 1 110 VAL H 1 110 VAL HB . . 3.900 3.182 2.461 3.930 0.030 17 0 "[ . 1 . 2]" 1 1794 1 110 VAL H 1 110 VAL MG1 . . 4.480 2.935 1.952 3.876 . 0 0 "[ . 1 . 2]" 1 1795 1 110 VAL H 1 110 VAL QG . . 3.910 2.208 1.885 3.066 . 0 0 "[ . 1 . 2]" 1 1796 1 110 VAL H 1 110 VAL MG2 . . 4.480 2.695 1.901 3.962 . 0 0 "[ . 1 . 2]" 1 1797 1 110 VAL QG 1 111 GLY H . . 4.210 2.886 1.852 3.727 . 0 0 "[ . 1 . 2]" 1 1798 1 110 VAL MG1 1 111 GLY H . . 4.970 3.412 1.860 4.361 . 0 0 "[ . 1 . 2]" 1 1799 1 110 VAL MG2 1 111 GLY H . . 4.970 3.594 2.091 4.359 . 0 0 "[ . 1 . 2]" 1 1800 1 111 GLY QA 1 115 ALA H . . 5.340 4.249 3.335 5.226 . 0 0 "[ . 1 . 2]" 1 1801 1 112 ARG H 1 112 ARG QG . . 4.890 3.540 2.265 4.089 . 0 0 "[ . 1 . 2]" 1 1802 1 112 ARG HA 1 112 ARG HD2 . . 4.510 3.516 2.236 4.392 . 0 0 "[ . 1 . 2]" 1 1803 1 112 ARG HA 1 112 ARG QD . . 3.850 2.703 1.977 3.922 0.072 6 0 "[ . 1 . 2]" 1 1804 1 112 ARG HA 1 112 ARG HD3 . . 4.510 3.000 1.989 4.536 0.026 6 0 "[ . 1 . 2]" 1 1805 1 112 ARG HA 1 112 ARG QG . . 3.770 2.481 2.134 3.055 . 0 0 "[ . 1 . 2]" 1 1806 1 112 ARG HA 1 115 ALA H . . 4.100 3.724 3.095 4.088 . 0 0 "[ . 1 . 2]" 1 1807 1 112 ARG HA 1 115 ALA MB . . 3.550 2.864 2.085 3.330 . 0 0 "[ . 1 . 2]" 1 1808 1 112 ARG HA 1 116 VAL MG2 . . 4.590 3.253 2.853 3.680 . 0 0 "[ . 1 . 2]" 1 1809 1 112 ARG QB 1 112 ARG QD . . 3.110 2.281 2.017 2.664 . 0 0 "[ . 1 . 2]" 1 1810 1 112 ARG QB 1 113 ARG H . . 3.150 2.420 2.007 2.711 . 0 0 "[ . 1 . 2]" 1 1811 1 112 ARG HB2 1 113 ARG H . . 3.640 3.277 2.590 3.642 0.002 14 0 "[ . 1 . 2]" 1 1812 1 112 ARG HB2 1 116 VAL MG2 . . 4.690 4.177 3.106 4.653 . 0 0 "[ . 1 . 2]" 1 1813 1 112 ARG HB3 1 113 ARG H . . 3.640 2.694 2.021 3.581 . 0 0 "[ . 1 . 2]" 1 1814 1 112 ARG HB3 1 116 VAL MG2 . . 4.690 3.290 2.001 4.126 . 0 0 "[ . 1 . 2]" 1 1815 1 112 ARG QG 1 113 ARG H . . 4.490 3.940 3.199 4.486 . 0 0 "[ . 1 . 2]" 1 1816 1 112 ARG QG 1 116 VAL MG2 . . 3.910 2.641 1.834 3.904 . 0 0 "[ . 1 . 2]" 1 1817 1 113 ARG H 1 113 ARG HB2 . . 4.040 2.521 2.162 3.610 . 0 0 "[ . 1 . 2]" 1 1818 1 113 ARG H 1 113 ARG QB . . 3.280 2.373 2.122 2.540 . 0 0 "[ . 1 . 2]" 1 1819 1 113 ARG H 1 113 ARG HB3 . . 4.040 3.444 2.489 3.616 . 0 0 "[ . 1 . 2]" 1 1820 1 113 ARG H 1 113 ARG QD . . 4.630 3.416 1.824 4.564 . 0 0 "[ . 1 . 2]" 1 1821 1 113 ARG H 1 113 ARG QG . . 3.650 2.623 2.036 3.700 0.050 4 0 "[ . 1 . 2]" 1 1822 1 113 ARG HA 1 113 ARG QD . . 4.280 3.266 2.006 4.265 . 0 0 "[ . 1 . 2]" 1 1823 1 113 ARG HA 1 113 ARG HG2 . . 3.910 2.918 2.171 3.729 . 0 0 "[ . 1 . 2]" 1 1824 1 113 ARG HA 1 113 ARG QG . . 3.390 2.496 2.150 3.344 . 0 0 "[ . 1 . 2]" 1 1825 1 113 ARG HA 1 113 ARG HG3 . . 3.910 3.135 2.178 3.900 . 0 0 "[ . 1 . 2]" 1 1826 1 113 ARG HA 1 115 ALA H . . 5.500 5.096 4.843 5.372 . 0 0 "[ . 1 . 2]" 1 1827 1 113 ARG HA 1 116 VAL H . . 4.460 4.254 3.908 4.489 0.029 17 0 "[ . 1 . 2]" 1 1828 1 113 ARG HA 1 116 VAL HB . . 3.920 3.045 2.529 3.551 . 0 0 "[ . 1 . 2]" 1 1829 1 113 ARG HA 1 116 VAL MG2 . . 4.180 3.534 2.951 4.138 . 0 0 "[ . 1 . 2]" 1 1830 1 113 ARG HA 1 117 ALA H . . 4.190 3.985 3.658 4.177 . 0 0 "[ . 1 . 2]" 1 1831 1 113 ARG QB 1 113 ARG QD . . 3.220 2.213 2.038 2.567 . 0 0 "[ . 1 . 2]" 1 1832 1 113 ARG HB2 1 114 GLN H . . 3.880 2.726 2.273 3.618 . 0 0 "[ . 1 . 2]" 1 1833 1 113 ARG HB3 1 114 GLN H . . 3.880 3.347 2.214 3.887 0.007 17 0 "[ . 1 . 2]" 1 1834 1 114 GLN H 1 114 GLN HB2 . . 3.430 2.429 2.170 2.684 . 0 0 "[ . 1 . 2]" 1 1835 1 114 GLN H 1 114 GLN HB3 . . 3.430 2.676 2.383 3.479 0.049 9 0 "[ . 1 . 2]" 1 1836 1 114 GLN H 1 114 GLN QG . . 4.110 3.970 2.956 4.078 . 0 0 "[ . 1 . 2]" 1 1837 1 114 GLN H 1 115 ALA H . . 3.510 2.921 2.509 3.187 . 0 0 "[ . 1 . 2]" 1 1838 1 114 GLN HA 1 114 GLN HE21 . . 5.390 3.715 2.387 4.852 . 0 0 "[ . 1 . 2]" 1 1839 1 114 GLN HA 1 114 GLN HE22 . . 5.390 4.003 2.970 5.288 . 0 0 "[ . 1 . 2]" 1 1840 1 114 GLN HA 1 114 GLN QG . . 3.850 2.815 2.372 3.155 . 0 0 "[ . 1 . 2]" 1 1841 1 114 GLN HA 1 117 ALA H . . 4.040 3.813 3.634 4.016 . 0 0 "[ . 1 . 2]" 1 1842 1 114 GLN HA 1 117 ALA MB . . 3.420 2.745 2.314 3.193 . 0 0 "[ . 1 . 2]" 1 1843 1 114 GLN QB 1 115 ALA H . . 3.370 2.125 1.897 2.451 . 0 0 "[ . 1 . 2]" 1 1844 1 114 GLN HB2 1 115 ALA H . . 3.880 3.502 2.580 3.795 . 0 0 "[ . 1 . 2]" 1 1845 1 114 GLN HB3 1 115 ALA H . . 3.880 2.167 1.910 2.945 . 0 0 "[ . 1 . 2]" 1 1846 1 114 GLN QG 1 115 ALA H . . 4.380 3.378 2.725 4.248 . 0 0 "[ . 1 . 2]" 1 1847 1 115 ALA H 1 115 ALA MB . . 3.060 2.137 2.038 2.230 . 0 0 "[ . 1 . 2]" 1 1848 1 115 ALA H 1 116 VAL H . . 3.560 3.055 2.919 3.208 . 0 0 "[ . 1 . 2]" 1 1849 1 115 ALA HA 1 117 ALA H . . 4.650 4.400 4.038 4.647 . 0 0 "[ . 1 . 2]" 1 1850 1 115 ALA HA 1 118 TRP H . . 4.440 3.499 3.232 3.704 . 0 0 "[ . 1 . 2]" 1 1851 1 115 ALA HA 1 118 TRP QB . . 4.460 2.901 2.638 3.339 . 0 0 "[ . 1 . 2]" 1 1852 1 115 ALA HA 1 119 LEU H . . 4.340 4.218 3.937 4.342 0.002 4 0 "[ . 1 . 2]" 1 1853 1 115 ALA MB 1 116 VAL H . . 3.470 2.226 1.970 2.408 . 0 0 "[ . 1 . 2]" 1 1854 1 115 ALA MB 1 116 VAL HA . . 4.780 3.650 3.556 3.721 . 0 0 "[ . 1 . 2]" 1 1855 1 115 ALA MB 1 116 VAL MG2 . . 3.640 3.051 2.869 3.184 . 0 0 "[ . 1 . 2]" 1 1856 1 115 ALA MB 1 119 LEU HG . . 4.700 3.603 3.224 4.054 . 0 0 "[ . 1 . 2]" 1 1857 1 116 VAL H 1 116 VAL HB . . 3.140 2.633 2.548 2.735 . 0 0 "[ . 1 . 2]" 1 1858 1 116 VAL H 1 116 VAL MG1 . . 4.160 3.770 3.757 3.777 . 0 0 "[ . 1 . 2]" 1 1859 1 116 VAL H 1 116 VAL MG2 . . 3.140 2.037 1.908 2.223 . 0 0 "[ . 1 . 2]" 1 1860 1 116 VAL H 1 117 ALA H . . 3.410 2.920 2.761 3.010 . 0 0 "[ . 1 . 2]" 1 1861 1 116 VAL H 1 117 ALA MB . . 4.630 4.501 4.409 4.604 . 0 0 "[ . 1 . 2]" 1 1862 1 116 VAL H 1 118 TRP H . . 5.080 4.421 4.156 4.824 . 0 0 "[ . 1 . 2]" 1 1863 1 116 VAL H 1 119 LEU MD1 . . 4.550 3.772 3.237 4.513 . 0 0 "[ . 1 . 2]" 1 1864 1 116 VAL H 1 119 LEU HG . . 5.290 4.579 4.217 4.944 . 0 0 "[ . 1 . 2]" 1 1865 1 116 VAL HA 1 116 VAL MG1 . . 3.430 2.390 2.301 2.475 . 0 0 "[ . 1 . 2]" 1 1866 1 116 VAL HA 1 116 VAL MG2 . . 3.410 2.362 2.266 2.438 . 0 0 "[ . 1 . 2]" 1 1867 1 116 VAL HA 1 119 LEU H . . 4.330 3.550 3.199 3.992 . 0 0 "[ . 1 . 2]" 1 1868 1 116 VAL HA 1 119 LEU QB . . 4.270 2.811 2.177 3.191 . 0 0 "[ . 1 . 2]" 1 1869 1 116 VAL HA 1 119 LEU MD1 . . 3.770 2.148 1.878 2.848 . 0 0 "[ . 1 . 2]" 1 1870 1 116 VAL HA 1 119 LEU HG . . 4.670 3.196 2.856 3.702 . 0 0 "[ . 1 . 2]" 1 1871 1 116 VAL HB 1 117 ALA H . . 3.390 2.558 2.377 2.844 . 0 0 "[ . 1 . 2]" 1 1872 1 116 VAL HB 1 117 ALA HA . . 5.100 4.235 4.092 4.384 . 0 0 "[ . 1 . 2]" 1 1873 1 116 VAL HB 1 117 ALA MB . . 4.110 3.965 3.819 4.073 . 0 0 "[ . 1 . 2]" 1 1874 1 116 VAL MG1 1 117 ALA H . . 3.780 3.407 3.244 3.587 . 0 0 "[ . 1 . 2]" 1 1875 1 116 VAL MG1 1 117 ALA HA . . 3.560 3.463 3.342 3.558 . 0 0 "[ . 1 . 2]" 1 1876 1 116 VAL MG1 1 120 VAL H . . 4.540 3.864 3.418 4.431 . 0 0 "[ . 1 . 2]" 1 1877 1 116 VAL MG2 1 117 ALA H . . 3.980 3.823 3.664 3.961 . 0 0 "[ . 1 . 2]" 1 1878 1 116 VAL MG2 1 119 LEU MD1 . . 4.200 3.086 2.661 3.528 . 0 0 "[ . 1 . 2]" 1 1879 1 117 ALA H 1 117 ALA MB . . 2.950 2.121 2.024 2.236 . 0 0 "[ . 1 . 2]" 1 1880 1 117 ALA H 1 118 TRP H . . 3.530 2.758 2.517 2.957 . 0 0 "[ . 1 . 2]" 1 1881 1 117 ALA HA 1 119 LEU H . . 5.000 4.482 3.876 4.855 . 0 0 "[ . 1 . 2]" 1 1882 1 117 ALA HA 1 120 VAL H . . 4.190 3.873 3.566 4.117 . 0 0 "[ . 1 . 2]" 1 1883 1 117 ALA HA 1 120 VAL QG . . 3.740 2.305 1.901 3.659 . 0 0 "[ . 1 . 2]" 1 1884 1 117 ALA MB 1 118 TRP H . . 3.590 2.545 2.316 2.772 . 0 0 "[ . 1 . 2]" 1 1885 1 117 ALA MB 1 118 TRP HA . . 4.180 3.744 3.572 3.859 . 0 0 "[ . 1 . 2]" 1 1886 1 117 ALA MB 1 120 VAL H . . 5.500 4.965 4.767 5.189 . 0 0 "[ . 1 . 2]" 1 1887 1 118 TRP H 1 118 TRP HB2 . . 3.530 2.447 2.346 2.557 . 0 0 "[ . 1 . 2]" 1 1888 1 118 TRP H 1 118 TRP QB . . 3.080 2.249 2.218 2.287 . 0 0 "[ . 1 . 2]" 1 1889 1 118 TRP H 1 118 TRP HB3 . . 3.530 2.634 2.550 2.734 . 0 0 "[ . 1 . 2]" 1 1890 1 118 TRP H 1 118 TRP HD1 . . 5.030 4.885 4.738 5.021 . 0 0 "[ . 1 . 2]" 1 1891 1 118 TRP H 1 118 TRP HE3 . . 5.040 4.782 4.638 4.940 . 0 0 "[ . 1 . 2]" 1 1892 1 118 TRP H 1 119 LEU HG . . 4.880 4.340 4.112 4.764 . 0 0 "[ . 1 . 2]" 1 1893 1 118 TRP H 1 120 VAL H . . 5.500 4.549 4.171 5.020 . 0 0 "[ . 1 . 2]" 1 1894 1 118 TRP HA 1 118 TRP HE3 . . 4.560 4.117 3.974 4.279 . 0 0 "[ . 1 . 2]" 1 1895 1 118 TRP HA 1 121 ALA H . . 4.230 3.545 3.251 3.795 . 0 0 "[ . 1 . 2]" 1 1896 1 118 TRP HA 1 121 ALA MB . . 3.650 2.276 2.014 2.780 . 0 0 "[ . 1 . 2]" 1 1897 1 118 TRP QB 1 119 LEU H . . 3.570 2.547 2.290 2.836 . 0 0 "[ . 1 . 2]" 1 1898 1 118 TRP HB2 1 119 LEU H . . 4.280 3.810 3.639 4.011 . 0 0 "[ . 1 . 2]" 1 1899 1 118 TRP HB3 1 119 LEU H . . 4.280 2.589 2.313 2.901 . 0 0 "[ . 1 . 2]" 1 1900 1 118 TRP HE3 1 119 LEU H . . 4.230 3.029 2.656 3.252 . 0 0 "[ . 1 . 2]" 1 1901 1 118 TRP HE3 1 119 LEU HA . . 4.030 2.156 2.001 2.489 . 0 0 "[ . 1 . 2]" 1 1902 1 118 TRP HE3 1 119 LEU MD2 . . 3.770 2.594 2.051 2.988 . 0 0 "[ . 1 . 2]" 1 1903 1 118 TRP HE3 1 119 LEU HG . . 4.840 3.323 2.927 3.726 . 0 0 "[ . 1 . 2]" 1 1904 1 118 TRP HH2 1 122 MET QB . . 4.570 3.555 3.272 3.864 . 0 0 "[ . 1 . 2]" 1 1905 1 118 TRP HH2 1 122 MET ME . . 4.130 4.005 3.640 4.126 . 0 0 "[ . 1 . 2]" 1 1906 1 118 TRP HZ2 1 122 MET ME . . 4.770 4.556 3.998 4.769 . 0 0 "[ . 1 . 2]" 1 1907 1 118 TRP HZ3 1 119 LEU HA . . 4.790 3.208 2.930 3.704 . 0 0 "[ . 1 . 2]" 1 1908 1 118 TRP HZ3 1 119 LEU MD2 . . 4.310 3.047 2.571 3.600 . 0 0 "[ . 1 . 2]" 1 1909 1 118 TRP HZ3 1 122 MET QB . . 4.710 3.035 2.566 3.339 . 0 0 "[ . 1 . 2]" 1 1910 1 118 TRP HZ3 1 122 MET QG . . 4.740 3.122 2.612 3.766 . 0 0 "[ . 1 . 2]" 1 1911 1 119 LEU H 1 119 LEU HB2 . . 3.910 2.515 2.337 2.635 . 0 0 "[ . 1 . 2]" 1 1912 1 119 LEU H 1 119 LEU QB . . 3.420 2.467 2.308 2.571 . 0 0 "[ . 1 . 2]" 1 1913 1 119 LEU H 1 119 LEU HB3 . . 3.910 3.583 3.560 3.594 . 0 0 "[ . 1 . 2]" 1 1914 1 119 LEU H 1 119 LEU MD1 . . 3.880 3.503 3.313 3.876 . 0 0 "[ . 1 . 2]" 1 1915 1 119 LEU H 1 119 LEU MD2 . . 3.740 3.393 2.985 3.645 . 0 0 "[ . 1 . 2]" 1 1916 1 119 LEU H 1 119 LEU HG . . 3.520 2.201 1.969 2.520 . 0 0 "[ . 1 . 2]" 1 1917 1 119 LEU H 1 120 VAL H . . 3.700 2.909 2.689 3.186 . 0 0 "[ . 1 . 2]" 1 1918 1 119 LEU H 1 120 VAL QG . . 4.230 3.901 3.687 4.215 . 0 0 "[ . 1 . 2]" 1 1919 1 119 LEU HA 1 119 LEU MD1 . . 4.540 3.895 3.722 3.962 . 0 0 "[ . 1 . 2]" 1 1920 1 119 LEU HA 1 119 LEU MD2 . . 3.400 2.134 1.929 2.408 . 0 0 "[ . 1 . 2]" 1 1921 1 119 LEU HA 1 121 ALA H . . 4.820 4.534 4.206 4.760 . 0 0 "[ . 1 . 2]" 1 1922 1 119 LEU HA 1 122 MET QB . . 4.050 3.185 2.606 3.634 . 0 0 "[ . 1 . 2]" 1 1923 1 119 LEU QB 1 119 LEU MD1 . . 3.240 2.039 1.981 2.099 . 0 0 "[ . 1 . 2]" 1 1924 1 119 LEU QB 1 120 VAL H . . 3.270 2.217 1.939 2.445 . 0 0 "[ . 1 . 2]" 1 1925 1 119 LEU QB 1 120 VAL HA . . 4.970 3.812 3.747 3.891 . 0 0 "[ . 1 . 2]" 1 1926 1 119 LEU HB2 1 120 VAL H . . 3.870 2.254 1.965 2.502 . 0 0 "[ . 1 . 2]" 1 1927 1 119 LEU HB3 1 120 VAL H . . 3.870 3.298 2.980 3.537 . 0 0 "[ . 1 . 2]" 1 1928 1 119 LEU MD1 1 120 VAL H . . 5.030 4.092 3.754 4.430 . 0 0 "[ . 1 . 2]" 1 1929 1 119 LEU HG 1 120 VAL H . . 4.470 4.247 4.067 4.431 . 0 0 "[ . 1 . 2]" 1 1930 1 120 VAL H 1 120 VAL HB . . 3.160 2.569 2.385 2.785 . 0 0 "[ . 1 . 2]" 1 1931 1 120 VAL H 1 120 VAL MG1 . . 3.850 2.160 1.888 3.765 . 0 0 "[ . 1 . 2]" 1 1932 1 120 VAL H 1 120 VAL QG . . 2.990 2.062 1.883 2.305 . 0 0 "[ . 1 . 2]" 1 1933 1 120 VAL H 1 120 VAL MG2 . . 3.850 3.675 2.005 3.783 . 0 0 "[ . 1 . 2]" 1 1934 1 120 VAL H 1 121 ALA H . . 3.460 2.648 2.441 2.900 . 0 0 "[ . 1 . 2]" 1 1935 1 120 VAL HA 1 120 VAL MG1 . . 3.440 3.160 2.442 3.204 . 0 0 "[ . 1 . 2]" 1 1936 1 120 VAL HA 1 120 VAL QG . . 2.980 2.291 2.171 2.377 . 0 0 "[ . 1 . 2]" 1 1937 1 120 VAL HA 1 120 VAL MG2 . . 3.440 2.360 2.253 2.452 . 0 0 "[ . 1 . 2]" 1 1938 1 120 VAL HA 1 121 ALA HA . . 5.060 4.819 4.770 4.872 . 0 0 "[ . 1 . 2]" 1 1939 1 120 VAL HA 1 121 ALA MB . . 5.500 5.008 4.966 5.038 . 0 0 "[ . 1 . 2]" 1 1940 1 120 VAL HA 1 123 HIS H . . 4.200 3.767 3.482 4.108 . 0 0 "[ . 1 . 2]" 1 1941 1 120 VAL HA 1 123 HIS HB2 . . 4.380 4.079 3.560 4.383 0.003 7 0 "[ . 1 . 2]" 1 1942 1 120 VAL HA 1 123 HIS HB3 . . 4.070 3.190 2.785 3.613 . 0 0 "[ . 1 . 2]" 1 1943 1 120 VAL HA 1 124 LYS H . . 4.980 4.023 3.733 4.603 . 0 0 "[ . 1 . 2]" 1 1944 1 120 VAL HB 1 121 ALA H . . 4.150 3.849 2.494 4.104 . 0 0 "[ . 1 . 2]" 1 1945 1 120 VAL QG 1 121 ALA HA . . 3.970 2.993 2.814 3.417 . 0 0 "[ . 1 . 2]" 1 1946 1 120 VAL QG 1 123 HIS H . . 5.440 4.507 4.343 4.792 . 0 0 "[ . 1 . 2]" 1 1947 1 120 VAL MG1 1 121 ALA H . . 3.800 2.041 1.849 3.395 . 0 0 "[ . 1 . 2]" 1 1948 1 120 VAL MG2 1 121 ALA H . . 3.800 3.608 3.382 3.795 . 0 0 "[ . 1 . 2]" 1 1949 1 121 ALA H 1 121 ALA MB . . 3.080 2.159 2.035 2.242 . 0 0 "[ . 1 . 2]" 1 1950 1 121 ALA H 1 122 MET H . . 3.640 2.756 2.546 2.965 . 0 0 "[ . 1 . 2]" 1 1951 1 121 ALA H 1 122 MET QB . . 5.010 4.461 4.321 4.571 . 0 0 "[ . 1 . 2]" 1 1952 1 121 ALA HA 1 124 LYS H . . 4.350 3.837 3.400 4.207 . 0 0 "[ . 1 . 2]" 1 1953 1 121 ALA HA 1 124 LYS HB2 . . 4.380 2.676 2.393 3.061 . 0 0 "[ . 1 . 2]" 1 1954 1 121 ALA HA 1 124 LYS QB . . 3.720 2.644 2.374 3.006 . 0 0 "[ . 1 . 2]" 1 1955 1 121 ALA HA 1 124 LYS HB3 . . 4.380 4.122 3.813 4.382 0.002 13 0 "[ . 1 . 2]" 1 1956 1 121 ALA HA 1 124 LYS QD . . 5.500 4.399 2.694 5.432 . 0 0 "[ . 1 . 2]" 1 1957 1 121 ALA HA 1 124 LYS QG . . 5.340 3.729 2.919 4.631 . 0 0 "[ . 1 . 2]" 1 1958 1 121 ALA HA 1 125 ALA H . . 4.380 3.985 3.513 4.394 0.014 11 0 "[ . 1 . 2]" 1 1959 1 121 ALA MB 1 122 MET H . . 3.600 2.542 2.200 2.874 . 0 0 "[ . 1 . 2]" 1 1960 1 121 ALA MB 1 122 MET HA . . 4.000 3.759 3.610 3.897 . 0 0 "[ . 1 . 2]" 1 1961 1 121 ALA MB 1 124 LYS QB . . 4.860 4.033 3.767 4.292 . 0 0 "[ . 1 . 2]" 1 1962 1 122 MET H 1 122 MET HB2 . . 3.600 2.451 2.321 2.724 . 0 0 "[ . 1 . 2]" 1 1963 1 122 MET H 1 122 MET HB3 . . 3.600 2.617 2.394 2.769 . 0 0 "[ . 1 . 2]" 1 1964 1 122 MET H 1 122 MET HG2 . . 4.820 4.545 4.300 4.633 . 0 0 "[ . 1 . 2]" 1 1965 1 122 MET H 1 122 MET HG3 . . 4.820 4.470 4.344 4.576 . 0 0 "[ . 1 . 2]" 1 1966 1 122 MET H 1 123 HIS H . . 3.800 2.917 2.533 3.212 . 0 0 "[ . 1 . 2]" 1 1967 1 122 MET HA 1 122 MET ME . . 3.980 3.554 2.966 3.975 . 0 0 "[ . 1 . 2]" 1 1968 1 122 MET HA 1 125 ALA H . . 4.260 3.838 3.399 4.217 . 0 0 "[ . 1 . 2]" 1 1969 1 122 MET HA 1 125 ALA MB . . 3.460 3.001 2.460 3.392 . 0 0 "[ . 1 . 2]" 1 1970 1 122 MET HA 1 126 ALA H . . 4.870 3.980 3.585 4.191 . 0 0 "[ . 1 . 2]" 1 1971 1 122 MET QB 1 123 HIS HA . . 4.980 4.040 3.893 4.214 . 0 0 "[ . 1 . 2]" 1 1972 1 122 MET HB2 1 123 HIS H . . 3.940 3.647 3.463 3.882 . 0 0 "[ . 1 . 2]" 1 1973 1 122 MET HB3 1 123 HIS H . . 3.940 2.233 1.959 2.534 . 0 0 "[ . 1 . 2]" 1 1974 1 122 MET ME 1 122 MET HG2 . . 3.620 2.739 2.184 3.081 . 0 0 "[ . 1 . 2]" 1 1975 1 122 MET ME 1 122 MET QG . . 3.080 2.120 1.985 2.221 . 0 0 "[ . 1 . 2]" 1 1976 1 122 MET ME 1 122 MET HG3 . . 3.620 2.294 2.010 2.701 . 0 0 "[ . 1 . 2]" 1 1977 1 122 MET ME 1 126 ALA H . . 4.430 3.995 3.481 4.401 . 0 0 "[ . 1 . 2]" 1 1978 1 122 MET ME 1 126 ALA HA . . 4.380 3.795 3.134 4.379 . 0 0 "[ . 1 . 2]" 1 1979 1 122 MET ME 1 126 ALA MB . . 3.460 2.686 1.956 3.431 . 0 0 "[ . 1 . 2]" 1 1980 1 122 MET ME 1 129 LEU MD1 . . 4.160 3.574 3.003 4.160 . 11 0 "[ . 1 . 2]" 1 1981 1 122 MET QG 1 123 HIS H . . 3.760 3.480 3.173 3.804 0.044 13 0 "[ . 1 . 2]" 1 1982 1 123 HIS H 1 123 HIS HB2 . . 3.470 2.526 2.314 2.917 . 0 0 "[ . 1 . 2]" 1 1983 1 123 HIS H 1 123 HIS HB3 . . 3.440 2.559 2.209 2.815 . 0 0 "[ . 1 . 2]" 1 1984 1 123 HIS H 1 124 LYS H . . 3.820 2.902 2.663 3.295 . 0 0 "[ . 1 . 2]" 1 1985 1 123 HIS HA 1 126 ALA H . . 3.990 3.499 3.126 3.985 . 0 0 "[ . 1 . 2]" 1 1986 1 123 HIS HA 1 126 ALA MB . . 3.850 2.327 1.990 2.878 . 0 0 "[ . 1 . 2]" 1 1987 1 123 HIS HA 1 127 LYS H . . 4.650 4.417 4.148 4.655 0.005 19 0 "[ . 1 . 2]" 1 1988 1 123 HIS HB2 1 124 LYS H . . 4.260 3.742 3.460 3.969 . 0 0 "[ . 1 . 2]" 1 1989 1 123 HIS HB3 1 124 LYS H . . 3.960 2.357 1.944 2.774 . 0 0 "[ . 1 . 2]" 1 1990 1 123 HIS HB3 1 124 LYS QB . . 5.320 4.375 3.977 4.683 . 0 0 "[ . 1 . 2]" 1 1991 1 123 HIS HE1 1 127 LYS QD . . 4.910 3.610 2.014 4.826 . 0 0 "[ . 1 . 2]" 1 1992 1 124 LYS H 1 124 LYS HB2 . . 3.790 2.309 2.176 2.522 . 0 0 "[ . 1 . 2]" 1 1993 1 124 LYS H 1 124 LYS QB . . 3.260 2.281 2.155 2.476 . 0 0 "[ . 1 . 2]" 1 1994 1 124 LYS H 1 124 LYS HB3 . . 3.790 3.552 3.483 3.610 . 0 0 "[ . 1 . 2]" 1 1995 1 124 LYS H 1 124 LYS QD . . 4.460 3.688 2.006 4.459 . 0 0 "[ . 1 . 2]" 1 1996 1 124 LYS H 1 124 LYS QE . . 5.500 4.510 1.921 5.321 . 0 0 "[ . 1 . 2]" 1 1997 1 124 LYS H 1 124 LYS HG2 . . 4.310 3.187 2.203 4.149 . 0 0 "[ . 1 . 2]" 1 1998 1 124 LYS H 1 124 LYS QG . . 3.640 2.758 2.183 3.544 . 0 0 "[ . 1 . 2]" 1 1999 1 124 LYS H 1 124 LYS HG3 . . 4.310 3.371 2.601 3.878 . 0 0 "[ . 1 . 2]" 1 2000 1 124 LYS H 1 125 ALA H . . 3.620 2.933 2.609 3.195 . 0 0 "[ . 1 . 2]" 1 2001 1 124 LYS HA 1 124 LYS QD . . 3.750 2.848 2.018 3.888 0.138 9 0 "[ . 1 . 2]" 1 2002 1 124 LYS HA 1 124 LYS QE . . 4.940 3.986 2.431 4.664 . 0 0 "[ . 1 . 2]" 1 2003 1 124 LYS HA 1 124 LYS HG2 . . 3.860 2.711 2.160 3.615 . 0 0 "[ . 1 . 2]" 1 2004 1 124 LYS HA 1 124 LYS QG . . 3.390 2.382 2.124 2.762 . 0 0 "[ . 1 . 2]" 1 2005 1 124 LYS HA 1 124 LYS HG3 . . 3.860 3.185 2.229 3.724 . 0 0 "[ . 1 . 2]" 1 2006 1 124 LYS HA 1 127 LYS QG . . 4.020 3.316 2.760 3.994 . 0 0 "[ . 1 . 2]" 1 2007 1 124 LYS QB 1 124 LYS QD . . 3.140 2.220 2.017 2.531 . 0 0 "[ . 1 . 2]" 1 2008 1 124 LYS QB 1 124 LYS QE . . 4.330 3.269 2.034 3.761 . 0 0 "[ . 1 . 2]" 1 2009 1 124 LYS QB 1 125 ALA H . . 3.470 2.470 2.244 2.774 . 0 0 "[ . 1 . 2]" 1 2010 1 124 LYS QB 1 125 ALA HA . . 4.990 3.811 3.747 3.953 . 0 0 "[ . 1 . 2]" 1 2011 1 124 LYS QB 1 125 ALA MB . . 3.810 3.698 3.578 3.833 0.023 7 0 "[ . 1 . 2]" 1 2012 1 124 LYS HB2 1 124 LYS QD . . 3.680 2.894 2.048 3.450 . 0 0 "[ . 1 . 2]" 1 2013 1 124 LYS HB2 1 125 ALA H . . 4.080 2.587 2.298 2.946 . 0 0 "[ . 1 . 2]" 1 2014 1 124 LYS HB2 1 125 ALA MB . . 4.510 4.049 3.827 4.231 . 0 0 "[ . 1 . 2]" 1 2015 1 124 LYS HB3 1 124 LYS QD . . 3.680 2.521 2.133 3.311 . 0 0 "[ . 1 . 2]" 1 2016 1 124 LYS HB3 1 125 ALA H . . 4.080 3.145 2.880 3.550 . 0 0 "[ . 1 . 2]" 1 2017 1 124 LYS HB3 1 125 ALA MB . . 4.510 4.283 4.114 4.463 . 0 0 "[ . 1 . 2]" 1 2018 1 124 LYS QD 1 125 ALA H . . 5.500 4.685 4.178 5.338 . 0 0 "[ . 1 . 2]" 1 2019 1 124 LYS QG 1 125 ALA H . . 5.240 4.246 4.004 4.582 . 0 0 "[ . 1 . 2]" 1 2020 1 125 ALA H 1 125 ALA MB . . 3.180 2.151 2.032 2.238 . 0 0 "[ . 1 . 2]" 1 2021 1 125 ALA H 1 126 ALA H . . 3.870 2.660 2.294 2.911 . 0 0 "[ . 1 . 2]" 1 2022 1 125 ALA HA 1 126 ALA MB . . 5.490 4.986 4.934 5.021 . 0 0 "[ . 1 . 2]" 1 2023 1 125 ALA HA 1 127 LYS H . . 5.130 4.029 3.666 4.636 . 0 0 "[ . 1 . 2]" 1 2024 1 125 ALA HA 1 128 LEU HB2 . . 4.220 3.204 2.268 3.936 . 0 0 "[ . 1 . 2]" 1 2025 1 125 ALA HA 1 128 LEU HB3 . . 5.500 4.826 3.841 5.504 0.004 19 0 "[ . 1 . 2]" 1 2026 1 125 ALA HA 1 128 LEU MD1 . . 4.270 2.945 2.038 4.313 0.043 11 0 "[ . 1 . 2]" 1 2027 1 125 ALA MB 1 126 ALA H . . 3.170 2.591 2.291 2.944 . 0 0 "[ . 1 . 2]" 1 2028 1 125 ALA MB 1 126 ALA HA . . 4.540 3.762 3.596 3.931 . 0 0 "[ . 1 . 2]" 1 2029 1 125 ALA MB 1 128 LEU H . . 5.480 4.515 4.057 5.077 . 0 0 "[ . 1 . 2]" 1 2030 1 126 ALA H 1 126 ALA MB . . 3.220 2.148 2.026 2.248 . 0 0 "[ . 1 . 2]" 1 2031 1 126 ALA H 1 127 LYS H . . 3.810 2.838 2.499 3.085 . 0 0 "[ . 1 . 2]" 1 2032 1 126 ALA H 1 128 LEU H . . 5.180 4.523 4.068 4.838 . 0 0 "[ . 1 . 2]" 1 2033 1 126 ALA H 1 129 LEU MD1 . . 5.500 4.471 3.751 5.182 . 0 0 "[ . 1 . 2]" 1 2034 1 126 ALA HA 1 128 LEU H . . 4.860 4.488 3.521 4.863 0.003 3 0 "[ . 1 . 2]" 1 2035 1 126 ALA HA 1 129 LEU H . . 4.500 3.552 3.160 3.894 . 0 0 "[ . 1 . 2]" 1 2036 1 126 ALA HA 1 129 LEU QB . . 4.040 2.947 2.412 4.054 0.014 7 0 "[ . 1 . 2]" 1 2037 1 126 ALA HA 1 129 LEU MD1 . . 3.880 2.466 1.777 3.206 . 0 0 "[ . 1 . 2]" 1 2038 1 126 ALA HA 1 129 LEU HG . . 4.750 3.569 2.011 4.567 . 0 0 "[ . 1 . 2]" 1 2039 1 126 ALA HA 1 130 TYR QE . . 4.610 4.069 3.316 4.406 . 0 0 "[ . 1 . 2]" 1 2040 1 126 ALA MB 1 127 LYS H . . 3.460 2.706 2.390 3.043 . 0 0 "[ . 1 . 2]" 1 2041 1 126 ALA MB 1 127 LYS HA . . 3.850 3.796 3.694 3.914 0.064 16 0 "[ . 1 . 2]" 1 2042 1 126 ALA MB 1 130 TYR QD . . 4.410 4.102 3.106 4.425 0.015 16 0 "[ . 1 . 2]" 1 2043 1 126 ALA MB 1 130 TYR QE . . 3.810 2.667 2.106 3.400 . 0 0 "[ . 1 . 2]" 1 2044 1 127 LYS H 1 127 LYS QB . . 3.170 2.346 2.222 2.612 . 0 0 "[ . 1 . 2]" 1 2045 1 127 LYS H 1 127 LYS QD . . 4.500 3.973 3.128 4.501 0.001 6 0 "[ . 1 . 2]" 1 2046 1 127 LYS H 1 127 LYS HG2 . . 4.070 3.185 1.892 3.951 . 0 0 "[ . 1 . 2]" 1 2047 1 127 LYS H 1 127 LYS QG . . 3.350 2.448 1.884 2.698 . 0 0 "[ . 1 . 2]" 1 2048 1 127 LYS H 1 127 LYS HG3 . . 4.070 2.878 2.134 3.686 . 0 0 "[ . 1 . 2]" 1 2049 1 127 LYS H 1 128 LEU H . . 3.300 2.782 2.377 3.181 . 0 0 "[ . 1 . 2]" 1 2050 1 127 LYS H 1 128 LEU HB2 . . 4.990 4.674 4.283 4.972 . 0 0 "[ . 1 . 2]" 1 2051 1 127 LYS HA 1 127 LYS QD . . 4.120 3.513 1.982 4.185 0.065 2 0 "[ . 1 . 2]" 1 2052 1 127 LYS HA 1 127 LYS QE . . 5.040 4.271 2.045 4.803 . 0 0 "[ . 1 . 2]" 1 2053 1 127 LYS HA 1 127 LYS QG . . 3.560 2.453 2.182 3.339 . 0 0 "[ . 1 . 2]" 1 2054 1 127 LYS HA 1 129 LEU H . . 4.830 4.379 3.870 4.837 0.007 7 0 "[ . 1 . 2]" 1 2055 1 127 LYS HA 1 130 TYR H . . 5.010 3.730 3.354 4.041 . 0 0 "[ . 1 . 2]" 1 2056 1 127 LYS HA 1 130 TYR QD . . 4.420 3.414 2.621 3.870 . 0 0 "[ . 1 . 2]" 1 2057 1 127 LYS HA 1 130 TYR QE . . 5.000 4.075 2.537 5.003 0.003 7 0 "[ . 1 . 2]" 1 2058 1 127 LYS HA 1 131 GLU H . . 4.240 3.366 2.957 3.858 . 0 0 "[ . 1 . 2]" 1 2059 1 127 LYS QB 1 127 LYS QD . . 3.460 2.153 2.019 2.465 . 0 0 "[ . 1 . 2]" 1 2060 1 127 LYS QB 1 128 LEU H . . 3.460 2.532 2.256 3.463 0.003 2 0 "[ . 1 . 2]" 1 2061 1 127 LYS QB 1 128 LEU HA . . 4.560 3.845 3.713 4.292 . 0 0 "[ . 1 . 2]" 1 2062 1 127 LYS QB 1 131 GLU H . . 5.500 4.216 3.770 4.845 . 0 0 "[ . 1 . 2]" 1 2063 1 127 LYS QG 1 128 LEU H . . 5.340 4.057 2.173 4.407 . 0 0 "[ . 1 . 2]" 1 2064 1 128 LEU H 1 128 LEU HB2 . . 3.060 2.300 2.167 2.435 . 0 0 "[ . 1 . 2]" 1 2065 1 128 LEU H 1 128 LEU HB3 . . 3.760 3.546 3.474 3.596 . 0 0 "[ . 1 . 2]" 1 2066 1 128 LEU H 1 128 LEU MD1 . . 4.330 3.577 3.239 4.165 . 0 0 "[ . 1 . 2]" 1 2067 1 128 LEU H 1 128 LEU MD2 . . 4.230 3.644 1.868 4.069 . 0 0 "[ . 1 . 2]" 1 2068 1 128 LEU H 1 128 LEU HG . . 3.830 2.769 2.423 3.801 . 0 0 "[ . 1 . 2]" 1 2069 1 128 LEU H 1 129 LEU H . . 3.480 2.778 2.405 3.086 . 0 0 "[ . 1 . 2]" 1 2070 1 128 LEU H 1 131 GLU H . . 5.500 4.917 4.668 5.138 . 0 0 "[ . 1 . 2]" 1 2071 1 128 LEU HA 1 128 LEU MD1 . . 3.880 3.710 2.301 3.887 0.007 7 0 "[ . 1 . 2]" 1 2072 1 128 LEU HA 1 128 LEU MD2 . . 3.070 2.180 2.000 2.426 . 0 0 "[ . 1 . 2]" 1 2073 1 128 LEU HA 1 128 LEU HG . . 3.650 2.837 2.658 3.705 0.055 11 0 "[ . 1 . 2]" 1 2074 1 128 LEU HA 1 131 GLU H . . 4.650 4.223 3.706 4.656 0.006 3 0 "[ . 1 . 2]" 1 2075 1 128 LEU HB2 1 128 LEU MD1 . . 3.350 2.287 2.074 3.162 . 0 0 "[ . 1 . 2]" 1 2076 1 128 LEU HB2 1 129 LEU H . . 3.180 2.699 2.406 3.022 . 0 0 "[ . 1 . 2]" 1 2077 1 128 LEU HB3 1 128 LEU MD1 . . 3.300 2.440 1.995 2.651 . 0 0 "[ . 1 . 2]" 1 2078 1 128 LEU HB3 1 128 LEU MD2 . . 3.170 2.347 2.117 3.184 0.014 11 0 "[ . 1 . 2]" 1 2079 1 128 LEU HB3 1 129 LEU H . . 3.920 3.362 3.117 3.704 . 0 0 "[ . 1 . 2]" 1 2080 1 128 LEU HG 1 129 LEU H . . 5.140 4.710 4.466 5.115 . 0 0 "[ . 1 . 2]" 1 2081 1 129 LEU H 1 129 LEU HB2 . . 3.700 2.323 2.164 3.485 . 0 0 "[ . 1 . 2]" 1 2082 1 129 LEU H 1 129 LEU QB . . 3.060 2.266 2.144 2.845 . 0 0 "[ . 1 . 2]" 1 2083 1 129 LEU H 1 129 LEU HB3 . . 3.700 3.501 3.016 3.607 . 0 0 "[ . 1 . 2]" 1 2084 1 129 LEU H 1 129 LEU MD1 . . 4.290 3.645 3.218 3.883 . 0 0 "[ . 1 . 2]" 1 2085 1 129 LEU H 1 129 LEU MD2 . . 4.470 3.737 1.967 4.071 . 0 0 "[ . 1 . 2]" 1 2086 1 129 LEU H 1 129 LEU HG . . 3.630 2.726 2.023 2.988 . 0 0 "[ . 1 . 2]" 1 2087 1 129 LEU HA 1 129 LEU MD2 . . 3.260 2.304 2.030 3.266 0.006 7 0 "[ . 1 . 2]" 1 2088 1 129 LEU HA 1 129 LEU HG . . 3.790 2.791 2.480 3.672 . 0 0 "[ . 1 . 2]" 1 2089 1 129 LEU QB 1 129 LEU MD2 . . 3.190 2.158 1.997 2.288 . 0 0 "[ . 1 . 2]" 1 2090 1 129 LEU QB 1 130 TYR H . . 3.760 2.441 2.176 3.488 . 0 0 "[ . 1 . 2]" 1 2091 1 129 LEU QB 1 130 TYR QD . . 4.020 2.664 2.230 3.262 . 0 0 "[ . 1 . 2]" 1 2092 1 129 LEU HB2 1 129 LEU MD1 . . 3.200 2.259 1.981 2.427 . 0 0 "[ . 1 . 2]" 1 2093 1 129 LEU HB2 1 130 TYR H . . 4.310 2.575 2.224 3.682 . 0 0 "[ . 1 . 2]" 1 2094 1 129 LEU HB2 1 130 TYR QD . . 4.740 3.366 2.323 3.828 . 0 0 "[ . 1 . 2]" 1 2095 1 129 LEU HB3 1 129 LEU MD1 . . 3.200 2.405 2.225 2.685 . 0 0 "[ . 1 . 2]" 1 2096 1 129 LEU HB3 1 130 TYR H . . 4.310 3.054 2.772 4.320 0.010 7 0 "[ . 1 . 2]" 1 2097 1 129 LEU HB3 1 130 TYR QD . . 4.740 2.922 2.608 4.562 . 0 0 "[ . 1 . 2]" 1 2098 1 129 LEU MD1 1 130 TYR H . . 4.820 4.271 3.886 4.796 . 0 0 "[ . 1 . 2]" 1 2099 1 129 LEU MD1 1 130 TYR QD . . 4.130 3.892 2.844 4.136 0.006 2 0 "[ . 1 . 2]" 1 2100 1 129 LEU MD2 1 130 TYR H . . 5.090 4.468 3.780 4.637 . 0 0 "[ . 1 . 2]" 1 2101 1 129 LEU MD2 1 130 TYR QD . . 4.430 4.354 3.984 4.451 0.021 19 0 "[ . 1 . 2]" 1 2102 1 130 TYR H 1 130 TYR QB . . 3.540 2.752 2.271 2.972 . 0 0 "[ . 1 . 2]" 1 2103 1 130 TYR H 1 130 TYR QD . . 4.110 2.660 2.191 3.027 . 0 0 "[ . 1 . 2]" 1 2104 1 130 TYR H 1 131 GLU H . . 3.530 2.608 2.374 2.829 . 0 0 "[ . 1 . 2]" 1 2105 1 130 TYR HA 1 130 TYR QD . . 3.630 2.674 2.272 3.688 0.058 16 0 "[ . 1 . 2]" 1 2106 1 130 TYR HA 1 131 GLU HA . . 5.160 4.760 4.557 4.910 . 0 0 "[ . 1 . 2]" 1 2107 1 130 TYR QB 1 131 GLU H . . 3.360 2.289 2.063 3.070 . 0 0 "[ . 1 . 2]" 1 2108 1 130 TYR QD 1 131 GLU H . . 4.170 3.460 2.281 4.247 0.077 7 0 "[ . 1 . 2]" 1 2109 1 130 TYR QD 1 131 GLU HG2 . . 5.050 4.147 2.557 5.050 0.000 7 0 "[ . 1 . 2]" 1 2110 1 130 TYR QD 1 131 GLU QG . . 4.210 3.588 1.973 4.210 . 0 0 "[ . 1 . 2]" 1 2111 1 130 TYR QD 1 131 GLU HG3 . . 5.050 4.247 2.001 5.053 0.003 2 0 "[ . 1 . 2]" 1 2112 1 131 GLU H 1 131 GLU HB2 . . 3.680 2.534 2.267 2.657 . 0 0 "[ . 1 . 2]" 1 2113 1 131 GLU H 1 131 GLU QB . . 3.030 2.486 2.242 2.593 . 0 0 "[ . 1 . 2]" 1 2114 1 131 GLU H 1 131 GLU HB3 . . 3.680 3.611 3.541 3.720 0.040 7 0 "[ . 1 . 2]" 1 2115 1 131 GLU H 1 131 GLU HG2 . . 4.080 2.735 1.964 3.479 . 0 0 "[ . 1 . 2]" 1 2116 1 131 GLU H 1 131 GLU QG . . 3.500 2.293 1.947 2.716 . 0 0 "[ . 1 . 2]" 1 2117 1 131 GLU H 1 131 GLU HG3 . . 4.080 2.859 2.135 3.803 . 0 0 "[ . 1 . 2]" 1 2118 1 131 GLU HA 1 131 GLU HG2 . . 4.010 2.557 2.199 2.821 . 0 0 "[ . 1 . 2]" 1 2119 1 131 GLU HA 1 131 GLU QG . . 3.400 2.500 2.163 2.748 . 0 0 "[ . 1 . 2]" 1 2120 1 131 GLU HA 1 131 GLU HG3 . . 4.010 3.535 3.209 3.819 . 0 0 "[ . 1 . 2]" 1 2121 1 131 GLU HA 1 132 SER H . . 3.440 2.801 2.244 3.528 0.088 11 0 "[ . 1 . 2]" 1 2122 1 131 GLU HA 1 132 SER HA . . 5.460 4.541 4.298 5.330 . 0 0 "[ . 1 . 2]" 1 2123 1 131 GLU QB 1 132 SER H . . 3.390 2.530 2.039 2.970 . 0 0 "[ . 1 . 2]" 1 2124 1 131 GLU HB2 1 132 SER H . . 3.950 3.327 2.644 3.928 . 0 0 "[ . 1 . 2]" 1 2125 1 131 GLU HB3 1 132 SER H . . 3.950 2.891 2.064 3.956 0.006 10 0 "[ . 1 . 2]" 1 2126 1 131 GLU QG 1 132 SER H . . 4.520 4.109 3.623 4.406 . 0 0 "[ . 1 . 2]" 1 2127 1 131 GLU HG2 1 132 SER H . . 5.200 4.464 3.739 5.023 . 0 0 "[ . 1 . 2]" 1 2128 1 131 GLU HG3 1 132 SER H . . 5.200 4.883 4.590 5.226 0.026 19 0 "[ . 1 . 2]" 1 2129 1 132 SER H 1 132 SER QB . . 3.320 2.638 2.174 3.194 . 0 0 "[ . 1 . 2]" 1 2130 1 132 SER HA 1 133 ARG QD . . 4.500 3.982 2.723 4.510 0.010 11 0 "[ . 1 . 2]" 1 2131 1 132 SER HA 1 133 ARG QG . . 4.570 3.965 2.895 4.584 0.014 11 0 "[ . 1 . 2]" 1 2132 1 132 SER QB 1 133 ARG H . . 4.240 3.142 2.207 3.981 . 0 0 "[ . 1 . 2]" 1 2133 1 133 ARG H 1 133 ARG HB2 . . 3.860 2.995 2.335 3.864 0.004 6 0 "[ . 1 . 2]" 1 2134 1 133 ARG H 1 133 ARG QB . . 3.390 2.660 2.306 3.412 0.022 6 0 "[ . 1 . 2]" 1 2135 1 133 ARG H 1 133 ARG HB3 . . 3.860 3.468 2.364 3.900 0.040 19 0 "[ . 1 . 2]" 1 2136 1 133 ARG H 1 133 ARG QD . . 4.830 3.105 1.889 4.128 . 0 0 "[ . 1 . 2]" 1 2137 1 133 ARG H 1 133 ARG QG . . 3.660 2.813 1.916 3.565 . 0 0 "[ . 1 . 2]" 1 2138 1 133 ARG H 1 134 ASP H . . 4.630 4.387 3.159 4.649 0.019 5 0 "[ . 1 . 2]" 1 2139 1 133 ARG HA 1 133 ARG QD . . 4.150 3.277 2.077 4.172 0.022 17 0 "[ . 1 . 2]" 1 2140 1 133 ARG HA 1 133 ARG QG . . 3.590 2.889 2.245 3.450 . 0 0 "[ . 1 . 2]" 1 2141 1 133 ARG HA 1 134 ASP H . . 3.500 2.312 2.140 2.616 . 0 0 "[ . 1 . 2]" 1 2142 1 133 ARG QB 1 133 ARG QD . . 3.220 2.308 2.023 2.814 . 0 0 "[ . 1 . 2]" 1 2143 1 133 ARG HB2 1 133 ARG QD . . 3.870 2.836 2.077 3.498 . 0 0 "[ . 1 . 2]" 1 2144 1 133 ARG HB2 1 134 ASP H . . 4.360 3.531 2.276 4.357 . 0 0 "[ . 1 . 2]" 1 2145 1 133 ARG HB3 1 133 ARG QD . . 3.870 2.800 2.058 3.513 . 0 0 "[ . 1 . 2]" 1 2146 1 133 ARG HB3 1 134 ASP H . . 4.360 3.310 2.057 4.409 0.049 19 0 "[ . 1 . 2]" 1 2147 1 134 ASP H 1 134 ASP HB2 . . 3.750 2.886 2.177 3.704 . 0 0 "[ . 1 . 2]" 1 2148 1 134 ASP H 1 134 ASP HB3 . . 3.750 3.151 2.467 3.650 . 0 0 "[ . 1 . 2]" 1 2149 1 134 ASP QB 1 135 GLN H . . 4.290 3.109 2.215 3.968 . 0 0 "[ . 1 . 2]" 1 2150 1 134 ASP HB2 1 135 GLN H . . 4.980 3.529 2.265 4.571 . 0 0 "[ . 1 . 2]" 1 2151 1 134 ASP HB3 1 135 GLN H . . 4.980 3.746 2.245 4.608 . 0 0 "[ . 1 . 2]" 1 2152 1 135 GLN H 1 135 GLN QB . . 3.480 2.435 2.147 3.094 . 0 0 "[ . 1 . 2]" 1 2153 1 135 GLN H 1 135 GLN QG . . 4.170 3.210 1.914 4.120 . 0 0 "[ . 1 . 2]" 1 2154 1 135 GLN HA 1 135 GLN QG . . 3.770 2.893 2.189 3.339 . 0 0 "[ . 1 . 2]" 1 2155 1 135 GLN QG 1 136 SER H . . 5.490 3.354 1.866 4.745 . 0 0 "[ . 1 . 2]" 1 2156 1 136 SER H 1 137 GLY H . . 4.940 3.744 2.168 4.578 . 0 0 "[ . 1 . 2]" 1 2157 1 136 SER QB 1 137 GLY H . . 4.590 3.064 2.203 3.907 . 0 0 "[ . 1 . 2]" 1 2158 1 137 GLY HA2 1 138 PRO QD . . 3.490 2.320 1.949 3.471 . 0 0 "[ . 1 . 2]" 1 2159 1 137 GLY HA3 1 138 PRO QD . . 3.490 2.805 1.887 3.458 . 0 0 "[ . 1 . 2]" 1 stop_ save_
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