NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
475022 | 2kg0 | 16193 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kg0 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 2263 _Distance_constraint_stats_list.Viol_count 201 _Distance_constraint_stats_list.Viol_total 571.887 _Distance_constraint_stats_list.Viol_max 0.962 _Distance_constraint_stats_list.Viol_rms 0.0145 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0006 _Distance_constraint_stats_list.Viol_average_violations_only 0.1423 _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 40 ALA 0.383 0.175 20 0 "[ . 1 . 2]" 1 41 ASN 0.383 0.175 20 0 "[ . 1 . 2]" 1 42 ASP 0.018 0.018 7 0 "[ . 1 . 2]" 1 43 GLY 0.022 0.018 7 0 "[ . 1 . 2]" 1 44 PHE 0.000 0.000 . 0 "[ . 1 . 2]" 1 45 VAL 0.985 0.108 9 0 "[ . 1 . 2]" 1 46 ARG 1.177 0.108 9 0 "[ . 1 . 2]" 1 47 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 48 ARG 0.092 0.054 13 0 "[ . 1 . 2]" 1 49 GLY 0.104 0.054 13 0 "[ . 1 . 2]" 1 50 LEU 1.871 0.266 4 0 "[ . 1 . 2]" 1 51 PRO 0.009 0.009 9 0 "[ . 1 . 2]" 1 52 PHE 0.084 0.084 9 0 "[ . 1 . 2]" 1 53 GLY 0.602 0.118 17 0 "[ . 1 . 2]" 1 54 CYS 0.602 0.118 17 0 "[ . 1 . 2]" 1 55 THR 1.534 0.207 8 0 "[ . 1 . 2]" 1 56 LYS 2.024 0.223 19 0 "[ . 1 . 2]" 1 57 GLU 2.032 0.499 18 0 "[ . 1 . 2]" 1 58 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 59 ILE 0.318 0.318 18 0 "[ . 1 . 2]" 1 60 VAL 0.816 0.499 18 0 "[ . 1 . 2]" 1 61 GLN 0.000 0.000 . 0 "[ . 1 . 2]" 1 62 PHE 0.000 0.000 . 0 "[ . 1 . 2]" 1 63 PHE 0.000 0.000 . 0 "[ . 1 . 2]" 1 64 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 65 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 66 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 67 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 68 ILE 1.585 0.281 13 0 "[ . 1 . 2]" 1 69 VAL 1.557 0.281 13 0 "[ . 1 . 2]" 1 70 PRO 0.000 0.000 . 0 "[ . 1 . 2]" 1 71 ASN 0.589 0.589 19 1 "[ . 1 . +2]" 1 72 GLY 0.105 0.022 9 0 "[ . 1 . 2]" 1 73 ILE 0.589 0.589 19 1 "[ . 1 . +2]" 1 74 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 75 LEU 0.119 0.070 5 0 "[ . 1 . 2]" 1 76 PRO 0.000 0.000 . 0 "[ . 1 . 2]" 1 77 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 78 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 79 PRO 0.000 0.000 . 0 "[ . 1 . 2]" 1 80 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 81 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 82 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 83 ILE 0.049 0.049 8 0 "[ . 1 . 2]" 1 84 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 85 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 86 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 87 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 88 PHE 0.000 0.000 . 0 "[ . 1 . 2]" 1 89 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 90 GLN 0.105 0.022 9 0 "[ . 1 . 2]" 1 91 PHE 0.031 0.018 12 0 "[ . 1 . 2]" 1 92 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 93 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 94 GLN 0.962 0.962 15 1 "[ . 1 + 2]" 1 95 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 96 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 97 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 98 GLU 0.962 0.962 15 1 "[ . 1 + 2]" 1 99 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 100 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 101 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 102 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 103 LYS 0.581 0.441 7 0 "[ . 1 . 2]" 1 104 HIS 0.483 0.441 7 0 "[ . 1 . 2]" 1 105 LYS 0.045 0.045 16 0 "[ . 1 . 2]" 1 106 GLU 0.266 0.226 12 0 "[ . 1 . 2]" 1 107 ARG 0.341 0.226 12 0 "[ . 1 . 2]" 1 108 ILE 0.040 0.040 6 0 "[ . 1 . 2]" 1 109 GLY 0.040 0.040 6 0 "[ . 1 . 2]" 1 110 HIS 0.000 0.000 . 0 "[ . 1 . 2]" 1 111 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 1 112 TYR 0.102 0.043 3 0 "[ . 1 . 2]" 1 113 ILE 0.051 0.051 13 0 "[ . 1 . 2]" 1 114 GLU 0.051 0.051 13 0 "[ . 1 . 2]" 1 115 VAL 0.087 0.045 16 0 "[ . 1 . 2]" 1 116 PHE 0.192 0.034 2 0 "[ . 1 . 2]" 1 117 LYS 0.084 0.053 8 0 "[ . 1 . 2]" 1 118 SER 0.084 0.053 8 0 "[ . 1 . 2]" 1 119 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 120 GLN 0.000 0.000 . 0 "[ . 1 . 2]" 1 121 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 122 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 123 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 124 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 1 125 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 126 TYR 0.000 0.000 . 0 "[ . 1 . 2]" 2 1 A 6.256 0.706 11 5 "[ -. * 1+ .* *]" 2 2 G 1.170 0.191 9 0 "[ . 1 . 2]" 2 3 G 0.798 0.543 2 1 "[ + . 1 . 2]" 2 4 G 1.178 0.543 2 1 "[ + . 1 . 2]" 2 5 A 2.715 0.456 2 0 "[ . 1 . 2]" 2 6 U 7.715 0.524 4 2 "[ +. 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 40 ALA HA 1 41 ASN HB2 5.500 . 6.000 5.548 3.822 6.087 0.087 2 0 "[ . 1 . 2]" 1 2 1 40 ALA HA 1 41 ASN HB3 4.700 . 5.200 4.665 4.303 5.375 0.175 20 0 "[ . 1 . 2]" 1 3 1 40 ALA HA 1 41 ASN HD21 5.500 . 6.000 5.256 3.364 5.825 . 0 0 "[ . 1 . 2]" 1 4 1 40 ALA HA 1 117 LYS QE 5.080 . 5.580 4.448 3.683 4.734 . 0 0 "[ . 1 . 2]" 1 5 1 40 ALA HA 1 119 SER HA 5.490 . 5.990 3.807 2.673 5.310 . 0 0 "[ . 1 . 2]" 1 6 1 40 ALA HA 1 119 SER HB2 4.600 . 5.100 4.523 3.821 4.787 . 0 0 "[ . 1 . 2]" 1 7 1 40 ALA MB 1 41 ASN H 5.660 . 6.160 3.097 2.109 3.780 . 0 0 "[ . 1 . 2]" 1 8 1 40 ALA MB 1 41 ASN HA 5.670 . 6.170 4.108 3.859 4.350 . 0 0 "[ . 1 . 2]" 1 9 1 40 ALA MB 1 41 ASN HB2 6.610 . 7.110 5.279 3.747 5.687 . 0 0 "[ . 1 . 2]" 1 10 1 40 ALA MB 1 41 ASN HB3 6.610 . 7.110 4.493 3.816 5.393 . 0 0 "[ . 1 . 2]" 1 11 1 40 ALA MB 1 42 ASP H 5.780 . 6.280 3.891 2.657 4.951 . 0 0 "[ . 1 . 2]" 1 12 1 40 ALA MB 1 117 LYS HB2 6.460 . 6.960 5.064 4.362 5.562 . 0 0 "[ . 1 . 2]" 1 13 1 40 ALA MB 1 117 LYS HD2 5.630 . 6.130 3.712 1.982 4.627 . 0 0 "[ . 1 . 2]" 1 14 1 40 ALA MB 1 117 LYS HD3 5.250 . 5.750 2.584 2.038 3.290 . 0 0 "[ . 1 . 2]" 1 15 1 40 ALA MB 1 119 SER HA 6.610 . 7.110 3.645 2.647 4.370 . 0 0 "[ . 1 . 2]" 1 16 1 40 ALA MB 1 119 SER HB2 6.060 . 6.560 3.850 2.232 5.026 . 0 0 "[ . 1 . 2]" 1 17 1 40 ALA MB 1 119 SER HB3 5.870 . 6.370 4.195 3.630 4.962 . 0 0 "[ . 1 . 2]" 1 18 1 41 ASN H 1 41 ASN HB3 4.170 . 4.670 3.342 2.942 3.535 . 0 0 "[ . 1 . 2]" 1 19 1 41 ASN H 1 42 ASP H 4.450 . 4.950 2.131 1.858 2.359 . 0 0 "[ . 1 . 2]" 1 20 1 41 ASN HA 1 41 ASN HD22 5.200 . 5.700 4.927 3.385 5.422 . 0 0 "[ . 1 . 2]" 1 21 1 41 ASN HA 1 42 ASP H 3.520 . 4.020 2.977 2.836 3.208 . 0 0 "[ . 1 . 2]" 1 22 1 41 ASN HA 1 94 GLN HB2 4.640 . 5.140 2.535 2.082 3.272 . 0 0 "[ . 1 . 2]" 1 23 1 41 ASN HA 1 94 GLN HB3 5.200 . 5.700 3.446 2.876 4.183 . 0 0 "[ . 1 . 2]" 1 24 1 41 ASN HA 1 94 GLN QG 4.980 . 5.480 2.120 1.860 2.256 . 0 0 "[ . 1 . 2]" 1 25 1 41 ASN HA 1 117 LYS QE 5.580 . 6.080 4.127 3.494 5.144 . 0 0 "[ . 1 . 2]" 1 26 1 41 ASN HB2 1 41 ASN HD22 4.080 . 4.580 3.820 3.568 4.144 . 0 0 "[ . 1 . 2]" 1 27 1 41 ASN HB2 1 42 ASP H 4.750 . 5.250 4.536 4.482 4.592 . 0 0 "[ . 1 . 2]" 1 28 1 41 ASN HB2 1 94 GLN QG 5.030 . 5.530 4.268 3.915 4.556 . 0 0 "[ . 1 . 2]" 1 29 1 41 ASN HB3 1 41 ASN HD22 3.880 . 4.380 3.806 3.483 4.149 . 0 0 "[ . 1 . 2]" 1 30 1 41 ASN HB3 1 42 ASP H 4.680 . 5.180 4.545 4.090 4.683 . 0 0 "[ . 1 . 2]" 1 31 1 41 ASN HB3 1 94 GLN QG 4.600 . 5.100 4.260 3.988 4.696 . 0 0 "[ . 1 . 2]" 1 32 1 42 ASP H 1 43 GLY H 4.280 . 4.780 2.265 1.845 4.426 . 0 0 "[ . 1 . 2]" 1 33 1 42 ASP H 1 43 GLY HA2 5.170 . 5.670 4.466 4.207 5.054 . 0 0 "[ . 1 . 2]" 1 34 1 42 ASP H 1 94 GLN QG 6.170 . 6.670 3.348 2.585 4.075 . 0 0 "[ . 1 . 2]" 1 35 1 42 ASP HA 1 43 GLY H 3.560 . 4.060 3.170 2.419 3.318 . 0 0 "[ . 1 . 2]" 1 36 1 42 ASP HA 1 43 GLY HA2 4.400 . 4.900 4.741 4.332 4.918 0.018 7 0 "[ . 1 . 2]" 1 37 1 42 ASP HA 1 43 GLY HA3 5.120 . 5.620 4.421 4.367 4.533 . 0 0 "[ . 1 . 2]" 1 38 1 42 ASP HA 1 44 PHE QD 5.110 . 5.610 4.830 4.685 4.900 . 0 0 "[ . 1 . 2]" 1 39 1 42 ASP HA 1 90 GLN HE21 4.910 . 5.410 4.159 4.027 4.325 . 0 0 "[ . 1 . 2]" 1 40 1 42 ASP QB 1 43 GLY H 4.400 . 4.900 3.379 2.407 3.574 . 0 0 "[ . 1 . 2]" 1 41 1 42 ASP QB 1 43 GLY HA2 5.570 . 6.070 5.033 4.447 5.184 . 0 0 "[ . 1 . 2]" 1 42 1 42 ASP QB 1 44 PHE QD 4.510 . 5.010 2.128 1.927 2.341 . 0 0 "[ . 1 . 2]" 1 43 1 42 ASP QB 1 44 PHE QE 5.300 . 5.800 2.354 2.178 2.993 . 0 0 "[ . 1 . 2]" 1 44 1 42 ASP QB 1 90 GLN HE21 5.850 . 6.350 2.785 2.501 3.252 . 0 0 "[ . 1 . 2]" 1 45 1 42 ASP QB 1 90 GLN HE22 6.040 . 6.540 3.043 2.726 3.521 . 0 0 "[ . 1 . 2]" 1 46 1 42 ASP QB 1 94 GLN HA 6.170 . 6.670 5.676 4.982 5.815 . 0 0 "[ . 1 . 2]" 1 47 1 42 ASP QB 1 94 GLN HB2 6.120 . 6.620 4.947 4.439 5.452 . 0 0 "[ . 1 . 2]" 1 48 1 43 GLY H 1 94 GLN HA 4.600 . 5.100 2.812 2.562 4.100 . 0 0 "[ . 1 . 2]" 1 49 1 43 GLY H 1 97 ALA MB 6.120 . 6.620 3.864 3.684 4.727 . 0 0 "[ . 1 . 2]" 1 50 1 43 GLY HA2 1 90 GLN HA 5.060 . 5.560 4.878 4.751 5.063 . 0 0 "[ . 1 . 2]" 1 51 1 43 GLY HA2 1 90 GLN HG3 5.500 . 6.000 4.406 4.081 4.592 . 0 0 "[ . 1 . 2]" 1 52 1 43 GLY HA2 1 94 GLN QG 5.340 . 5.840 3.744 3.268 4.181 . 0 0 "[ . 1 . 2]" 1 53 1 43 GLY HA2 1 97 ALA MB 4.500 . 5.000 2.301 2.160 2.477 . 0 0 "[ . 1 . 2]" 1 54 1 43 GLY HA3 1 90 GLN HG3 5.500 . 6.000 2.932 2.636 3.166 . 0 0 "[ . 1 . 2]" 1 55 1 43 GLY HA3 1 91 PHE H 4.870 . 5.370 3.495 3.231 3.930 . 0 0 "[ . 1 . 2]" 1 56 1 43 GLY HA3 1 91 PHE HB3 5.210 . 5.710 4.702 4.358 5.012 . 0 0 "[ . 1 . 2]" 1 57 1 43 GLY HA3 1 91 PHE QD 6.170 . 6.670 5.056 4.777 5.301 . 0 0 "[ . 1 . 2]" 1 58 1 43 GLY HA3 1 94 GLN HA 4.210 . 4.710 3.621 3.506 3.893 . 0 0 "[ . 1 . 2]" 1 59 1 43 GLY HA3 1 94 GLN QG 6.170 . 6.670 5.125 4.580 5.623 . 0 0 "[ . 1 . 2]" 1 60 1 43 GLY HA3 1 97 ALA MB 4.860 . 5.360 3.560 3.312 3.732 . 0 0 "[ . 1 . 2]" 1 61 1 43 GLY O 1 91 PHE H 2.400 . 2.900 1.964 1.797 2.117 0.003 14 0 "[ . 1 . 2]" 1 62 1 43 GLY O 1 91 PHE N 3.400 . 3.900 2.850 2.788 2.913 . 0 0 "[ . 1 . 2]" 1 63 1 44 PHE H 1 44 PHE HB2 3.570 . 4.070 2.404 2.378 2.431 . 0 0 "[ . 1 . 2]" 1 64 1 44 PHE H 1 44 PHE HB3 3.940 . 4.440 3.544 3.527 3.565 . 0 0 "[ . 1 . 2]" 1 65 1 44 PHE H 1 44 PHE QD 4.280 . 4.780 2.668 2.531 2.889 . 0 0 "[ . 1 . 2]" 1 66 1 44 PHE H 1 45 VAL H 4.430 . 4.930 4.597 4.577 4.613 . 0 0 "[ . 1 . 2]" 1 67 1 44 PHE H 1 45 VAL MG1 6.610 . 7.110 5.449 5.404 5.524 . 0 0 "[ . 1 . 2]" 1 68 1 44 PHE H 1 90 GLN HE21 5.500 . 6.000 3.693 2.991 3.917 . 0 0 "[ . 1 . 2]" 1 69 1 44 PHE H 1 97 ALA MB 5.450 . 5.950 4.273 4.138 4.377 . 0 0 "[ . 1 . 2]" 1 70 1 44 PHE H 1 119 SER HA 4.920 . 5.420 4.314 4.060 4.638 . 0 0 "[ . 1 . 2]" 1 71 1 44 PHE HA 1 44 PHE QE 5.530 . 6.030 4.416 4.356 4.459 . 0 0 "[ . 1 . 2]" 1 72 1 44 PHE HA 1 45 VAL H 3.330 . 3.830 2.171 2.130 2.226 . 0 0 "[ . 1 . 2]" 1 73 1 44 PHE HA 1 45 VAL HA 5.500 . 6.000 4.490 4.462 4.518 . 0 0 "[ . 1 . 2]" 1 74 1 44 PHE HA 1 45 VAL HB 5.500 . 6.000 4.184 4.078 4.276 . 0 0 "[ . 1 . 2]" 1 75 1 44 PHE HA 1 45 VAL MG1 5.030 . 5.530 3.473 3.381 3.526 . 0 0 "[ . 1 . 2]" 1 76 1 44 PHE HA 1 90 GLN H 5.500 . 6.000 4.719 4.660 4.795 . 0 0 "[ . 1 . 2]" 1 77 1 44 PHE HA 1 90 GLN HA 3.920 . 4.420 2.262 2.194 2.343 . 0 0 "[ . 1 . 2]" 1 78 1 44 PHE HA 1 90 GLN HB3 4.720 . 5.220 4.816 4.738 4.876 . 0 0 "[ . 1 . 2]" 1 79 1 44 PHE HA 1 90 GLN HG2 5.500 . 6.000 4.818 4.674 4.946 . 0 0 "[ . 1 . 2]" 1 80 1 44 PHE HA 1 90 GLN HG3 5.460 . 5.960 3.265 3.120 3.388 . 0 0 "[ . 1 . 2]" 1 81 1 44 PHE HA 1 91 PHE H 4.330 . 4.830 3.607 3.420 3.753 . 0 0 "[ . 1 . 2]" 1 82 1 44 PHE HA 1 97 ALA MB 6.610 . 7.110 4.635 4.415 4.726 . 0 0 "[ . 1 . 2]" 1 83 1 44 PHE HA 1 119 SER HA 5.230 . 5.730 5.015 4.805 5.248 . 0 0 "[ . 1 . 2]" 1 84 1 44 PHE HA 1 123 VAL MG1 6.610 . 7.110 4.215 4.039 4.373 . 0 0 "[ . 1 . 2]" 1 85 1 44 PHE HB2 1 45 VAL H 4.550 . 5.050 4.018 3.901 4.090 . 0 0 "[ . 1 . 2]" 1 86 1 44 PHE HB2 1 45 VAL HA 5.500 . 6.000 4.836 4.765 4.888 . 0 0 "[ . 1 . 2]" 1 87 1 44 PHE HB2 1 118 SER HB2 5.270 . 5.770 5.342 5.272 5.383 . 0 0 "[ . 1 . 2]" 1 88 1 44 PHE HB2 1 118 SER HB3 4.890 . 5.390 3.716 3.624 3.776 . 0 0 "[ . 1 . 2]" 1 89 1 44 PHE HB2 1 119 SER H 4.700 . 5.200 3.959 3.887 4.036 . 0 0 "[ . 1 . 2]" 1 90 1 44 PHE HB2 1 119 SER HA 4.010 . 4.510 2.195 1.987 2.474 . 0 0 "[ . 1 . 2]" 1 91 1 44 PHE HB3 1 45 VAL H 4.590 . 5.090 2.930 2.733 3.051 . 0 0 "[ . 1 . 2]" 1 92 1 44 PHE HB3 1 90 GLN HA 5.500 . 6.000 4.649 4.557 4.747 . 0 0 "[ . 1 . 2]" 1 93 1 44 PHE HB3 1 118 SER HA 5.040 . 5.540 4.784 4.705 4.931 . 0 0 "[ . 1 . 2]" 1 94 1 44 PHE HB3 1 118 SER HB2 5.500 . 6.000 4.398 4.283 4.472 . 0 0 "[ . 1 . 2]" 1 95 1 44 PHE HB3 1 118 SER HB3 4.670 . 5.170 2.640 2.528 2.713 . 0 0 "[ . 1 . 2]" 1 96 1 44 PHE HB3 1 119 SER H 5.180 . 5.680 3.354 3.177 3.539 . 0 0 "[ . 1 . 2]" 1 97 1 44 PHE HB3 1 119 SER HA 4.320 . 4.820 2.931 2.743 3.078 . 0 0 "[ . 1 . 2]" 1 98 1 44 PHE HB3 1 119 SER HB2 5.500 . 6.000 5.198 4.963 5.464 . 0 0 "[ . 1 . 2]" 1 99 1 44 PHE HB3 1 120 GLN HA 4.930 . 5.430 4.432 4.322 4.552 . 0 0 "[ . 1 . 2]" 1 100 1 44 PHE HB3 1 123 VAL MG1 6.610 . 7.110 3.489 3.320 3.596 . 0 0 "[ . 1 . 2]" 1 101 1 44 PHE QD 1 45 VAL H 5.230 . 5.730 3.566 3.441 3.630 . 0 0 "[ . 1 . 2]" 1 102 1 44 PHE QD 1 90 GLN HA 4.930 . 5.430 3.350 3.144 3.439 . 0 0 "[ . 1 . 2]" 1 103 1 44 PHE QD 1 90 GLN HB3 6.020 . 6.520 4.307 4.165 4.404 . 0 0 "[ . 1 . 2]" 1 104 1 44 PHE QD 1 90 GLN HG3 6.170 . 6.670 3.687 3.573 3.781 . 0 0 "[ . 1 . 2]" 1 105 1 44 PHE QD 1 119 SER H 5.390 . 5.890 4.850 4.806 4.911 . 0 0 "[ . 1 . 2]" 1 106 1 44 PHE QD 1 119 SER HA 4.650 . 5.150 2.729 2.371 2.938 . 0 0 "[ . 1 . 2]" 1 107 1 44 PHE QD 1 119 SER HB2 6.170 . 6.670 5.207 4.682 5.561 . 0 0 "[ . 1 . 2]" 1 108 1 44 PHE QD 1 119 SER HB3 6.170 . 6.670 4.650 3.963 5.385 . 0 0 "[ . 1 . 2]" 1 109 1 44 PHE QD 1 120 GLN HA 5.290 . 5.790 3.701 3.622 3.776 . 0 0 "[ . 1 . 2]" 1 110 1 44 PHE QD 1 120 GLN HB2 6.150 . 6.650 3.757 3.542 3.856 . 0 0 "[ . 1 . 2]" 1 111 1 44 PHE QD 1 120 GLN HE21 5.760 . 6.260 5.347 5.196 5.433 . 0 0 "[ . 1 . 2]" 1 112 1 44 PHE QD 1 123 VAL HB 5.830 . 6.330 4.184 4.107 4.297 . 0 0 "[ . 1 . 2]" 1 113 1 44 PHE QD 1 123 VAL MG1 5.500 . 6.000 2.152 2.069 2.285 . 0 0 "[ . 1 . 2]" 1 114 1 44 PHE QE 1 90 GLN HA 5.370 . 5.870 4.579 4.488 4.669 . 0 0 "[ . 1 . 2]" 1 115 1 44 PHE QE 1 90 GLN HB3 4.270 . 4.770 3.905 3.836 3.946 . 0 0 "[ . 1 . 2]" 1 116 1 44 PHE QE 1 90 GLN HG2 6.170 . 6.670 4.768 4.739 4.815 . 0 0 "[ . 1 . 2]" 1 117 1 44 PHE QE 1 90 GLN HG3 4.430 . 4.930 4.004 3.948 4.083 . 0 0 "[ . 1 . 2]" 1 118 1 44 PHE QE 1 119 SER HA 5.530 . 6.030 4.540 4.381 4.712 . 0 0 "[ . 1 . 2]" 1 119 1 44 PHE QE 1 120 GLN HA 4.580 . 5.080 3.396 3.303 3.485 . 0 0 "[ . 1 . 2]" 1 120 1 44 PHE QE 1 120 GLN HB2 4.780 . 5.280 2.435 2.198 2.544 . 0 0 "[ . 1 . 2]" 1 121 1 44 PHE QE 1 120 GLN HB3 4.280 . 4.780 3.855 3.764 3.890 . 0 0 "[ . 1 . 2]" 1 122 1 44 PHE QE 1 120 GLN HG2 5.430 . 5.930 4.396 4.259 4.480 . 0 0 "[ . 1 . 2]" 1 123 1 44 PHE QE 1 120 GLN HG3 5.620 . 6.120 4.996 4.920 5.020 . 0 0 "[ . 1 . 2]" 1 124 1 44 PHE QE 1 123 VAL HB 5.630 . 6.130 5.040 4.943 5.093 . 0 0 "[ . 1 . 2]" 1 125 1 44 PHE QE 1 123 VAL MG1 5.720 . 6.220 2.457 2.378 2.554 . 0 0 "[ . 1 . 2]" 1 126 1 44 PHE QE 1 123 VAL MG2 6.360 . 6.860 3.839 3.662 3.911 . 0 0 "[ . 1 . 2]" 1 127 1 44 PHE HZ 1 120 GLN HA 4.350 . 4.850 3.698 3.655 3.761 . 0 0 "[ . 1 . 2]" 1 128 1 44 PHE HZ 1 120 GLN HB2 4.700 . 5.200 2.856 2.687 3.158 . 0 0 "[ . 1 . 2]" 1 129 1 44 PHE HZ 1 120 GLN HG2 5.220 . 5.720 4.185 4.062 4.391 . 0 0 "[ . 1 . 2]" 1 130 1 44 PHE HZ 1 120 GLN HG3 4.860 . 5.360 4.917 4.874 4.991 . 0 0 "[ . 1 . 2]" 1 131 1 44 PHE HZ 1 123 VAL MG1 5.520 . 6.020 3.876 3.660 3.979 . 0 0 "[ . 1 . 2]" 1 132 1 45 VAL H 1 46 ARG HA 5.330 . 5.830 4.641 4.596 4.687 . 0 0 "[ . 1 . 2]" 1 133 1 45 VAL H 1 88 PHE HA 5.500 . 6.000 4.572 4.430 4.680 . 0 0 "[ . 1 . 2]" 1 134 1 45 VAL H 1 89 VAL H 4.190 . 4.690 2.816 2.703 2.956 . 0 0 "[ . 1 . 2]" 1 135 1 45 VAL H 1 89 VAL HB 5.130 . 5.630 3.825 3.665 4.056 . 0 0 "[ . 1 . 2]" 1 136 1 45 VAL H 1 89 VAL MG1 6.610 . 7.110 4.529 4.178 5.001 . 0 0 "[ . 1 . 2]" 1 137 1 45 VAL H 1 89 VAL MG2 6.610 . 7.110 4.905 4.781 5.060 . 0 0 "[ . 1 . 2]" 1 138 1 45 VAL H 1 89 VAL O 2.400 . 2.900 2.070 1.984 2.211 . 0 0 "[ . 1 . 2]" 1 139 1 45 VAL H 1 90 GLN HA 4.350 . 4.850 3.588 3.477 3.657 . 0 0 "[ . 1 . 2]" 1 140 1 45 VAL H 1 91 PHE H 4.910 . 5.410 4.407 4.313 4.597 . 0 0 "[ . 1 . 2]" 1 141 1 45 VAL H 1 91 PHE QE 6.170 . 6.670 5.667 5.614 5.706 . 0 0 "[ . 1 . 2]" 1 142 1 45 VAL H 1 118 SER H 5.500 . 6.000 4.573 4.458 4.760 . 0 0 "[ . 1 . 2]" 1 143 1 45 VAL HA 1 46 ARG H 3.490 . 3.990 2.546 2.503 2.598 . 0 0 "[ . 1 . 2]" 1 144 1 45 VAL HA 1 46 ARG HA 5.500 . 6.000 4.544 4.525 4.560 . 0 0 "[ . 1 . 2]" 1 145 1 45 VAL HA 1 46 ARG HB2 5.500 . 6.000 4.163 3.889 4.341 . 0 0 "[ . 1 . 2]" 1 146 1 45 VAL HA 1 117 LYS H 5.110 . 5.610 5.137 5.062 5.219 . 0 0 "[ . 1 . 2]" 1 147 1 45 VAL HA 1 117 LYS HA 3.910 . 4.410 2.616 2.345 2.780 . 0 0 "[ . 1 . 2]" 1 148 1 45 VAL HA 1 118 SER H 3.700 . 4.200 2.543 2.398 2.665 . 0 0 "[ . 1 . 2]" 1 149 1 45 VAL HA 1 118 SER HB2 4.670 . 5.170 3.024 2.907 3.191 . 0 0 "[ . 1 . 2]" 1 150 1 45 VAL HA 1 118 SER HB3 4.520 . 5.020 2.803 2.632 2.934 . 0 0 "[ . 1 . 2]" 1 151 1 45 VAL HB 1 46 ARG H 3.770 . 4.270 3.825 3.799 3.867 . 0 0 "[ . 1 . 2]" 1 152 1 45 VAL HB 1 46 ARG HA 5.500 . 6.000 5.759 5.731 5.791 . 0 0 "[ . 1 . 2]" 1 153 1 45 VAL HB 1 89 VAL H 5.500 . 6.000 5.143 5.043 5.253 . 0 0 "[ . 1 . 2]" 1 154 1 45 VAL HB 1 89 VAL HB 5.050 . 5.550 4.374 4.307 4.395 . 0 0 "[ . 1 . 2]" 1 155 1 45 VAL HB 1 89 VAL MG2 6.610 . 7.110 5.547 5.198 5.610 . 0 0 "[ . 1 . 2]" 1 156 1 45 VAL HB 1 91 PHE QD 6.170 . 6.670 2.647 2.510 2.822 . 0 0 "[ . 1 . 2]" 1 157 1 45 VAL HB 1 91 PHE QE 5.220 . 5.720 3.313 3.117 3.603 . 0 0 "[ . 1 . 2]" 1 158 1 45 VAL HB 1 100 ALA MB 6.610 . 7.110 4.438 4.198 4.671 . 0 0 "[ . 1 . 2]" 1 159 1 45 VAL HB 1 117 LYS HA 4.990 . 5.490 4.217 3.925 4.436 . 0 0 "[ . 1 . 2]" 1 160 1 45 VAL HB 1 118 SER H 4.890 . 5.390 4.563 4.422 4.732 . 0 0 "[ . 1 . 2]" 1 161 1 45 VAL MG1 1 88 PHE HA 6.510 . 7.010 3.934 3.743 4.115 . 0 0 "[ . 1 . 2]" 1 162 1 45 VAL MG1 1 89 VAL H 5.730 . 6.230 2.791 2.595 2.898 . 0 0 "[ . 1 . 2]" 1 163 1 45 VAL MG1 1 89 VAL HA 5.280 . 5.780 4.004 3.934 4.108 . 0 0 "[ . 1 . 2]" 1 164 1 45 VAL MG1 1 89 VAL HB 5.070 . 5.570 1.855 1.826 1.889 . 0 0 "[ . 1 . 2]" 1 165 1 45 VAL MG1 1 89 VAL MG1 4.930 . 5.430 2.752 2.330 3.112 . 0 0 "[ . 1 . 2]" 1 166 1 45 VAL MG1 1 89 VAL MG2 6.530 . 7.030 2.938 2.598 3.044 . 0 0 "[ . 1 . 2]" 1 167 1 45 VAL MG1 1 91 PHE QD 5.320 . 5.820 2.566 2.295 2.756 . 0 0 "[ . 1 . 2]" 1 168 1 45 VAL MG1 1 91 PHE QE 4.920 . 5.420 1.993 1.927 2.065 . 0 0 "[ . 1 . 2]" 1 169 1 45 VAL MG1 1 97 ALA HA 4.700 . 5.200 4.093 4.020 4.150 . 0 0 "[ . 1 . 2]" 1 170 1 45 VAL MG1 1 97 ALA MB 5.440 . 5.940 3.707 3.567 3.787 . 0 0 "[ . 1 . 2]" 1 171 1 45 VAL MG2 1 46 ARG H 4.580 . 5.080 1.751 1.692 1.797 0.108 9 0 "[ . 1 . 2]" 1 172 1 45 VAL MG2 1 97 ALA HA 5.200 . 5.700 3.809 3.594 4.121 . 0 0 "[ . 1 . 2]" 1 173 1 45 VAL MG2 1 97 ALA MB 5.830 . 6.330 3.210 3.039 3.464 . 0 0 "[ . 1 . 2]" 1 174 1 45 VAL MG2 1 117 LYS HA 4.610 . 5.110 2.673 2.286 2.930 . 0 0 "[ . 1 . 2]" 1 175 1 45 VAL MG2 1 118 SER H 5.070 . 5.570 4.075 3.959 4.153 . 0 0 "[ . 1 . 2]" 1 176 1 45 VAL MG2 1 118 SER HB2 6.610 . 7.110 4.403 4.302 4.559 . 0 0 "[ . 1 . 2]" 1 177 1 45 VAL MG2 1 118 SER HB3 6.360 . 6.860 4.615 4.477 4.697 . 0 0 "[ . 1 . 2]" 1 178 1 45 VAL N 1 89 VAL O 3.400 . 3.900 3.005 2.937 3.128 . 0 0 "[ . 1 . 2]" 1 179 1 45 VAL O 1 89 VAL H 2.400 . 2.900 2.193 2.082 2.343 . 0 0 "[ . 1 . 2]" 1 180 1 45 VAL O 1 89 VAL N 3.400 . 3.900 3.171 3.069 3.309 . 0 0 "[ . 1 . 2]" 1 181 1 46 ARG H 1 46 ARG HB2 4.020 . 4.520 3.034 2.491 3.297 . 0 0 "[ . 1 . 2]" 1 182 1 46 ARG H 1 46 ARG HD2 5.500 . 6.000 5.336 4.892 5.533 . 0 0 "[ . 1 . 2]" 1 183 1 46 ARG H 1 46 ARG HG2 5.500 . 6.000 4.483 4.310 4.739 . 0 0 "[ . 1 . 2]" 1 184 1 46 ARG H 1 46 ARG HG3 5.500 . 6.000 4.587 4.051 4.774 . 0 0 "[ . 1 . 2]" 1 185 1 46 ARG H 1 47 LEU MD1 6.610 . 7.110 4.906 4.075 5.518 . 0 0 "[ . 1 . 2]" 1 186 1 46 ARG H 1 115 VAL HA 4.560 . 5.060 4.415 4.072 4.616 . 0 0 "[ . 1 . 2]" 1 187 1 46 ARG H 1 116 PHE H 4.130 . 4.630 3.030 2.653 4.295 . 0 0 "[ . 1 . 2]" 1 188 1 46 ARG H 1 116 PHE HB2 5.160 . 5.660 3.612 3.332 3.914 . 0 0 "[ . 1 . 2]" 1 189 1 46 ARG H 1 116 PHE HB3 4.950 . 5.450 4.888 4.698 5.062 . 0 0 "[ . 1 . 2]" 1 190 1 46 ARG H 1 116 PHE O 2.400 . 2.900 1.800 1.766 1.858 0.034 2 0 "[ . 1 . 2]" 1 191 1 46 ARG H 1 117 LYS HA 4.580 . 5.080 3.583 3.187 3.785 . 0 0 "[ . 1 . 2]" 1 192 1 46 ARG H 1 118 SER H 4.460 . 4.960 4.562 4.483 4.620 . 0 0 "[ . 1 . 2]" 1 193 1 46 ARG H 1 118 SER HB2 4.490 . 4.990 3.449 3.304 3.644 . 0 0 "[ . 1 . 2]" 1 194 1 46 ARG H 1 118 SER HB3 4.280 . 4.780 4.210 4.023 4.310 . 0 0 "[ . 1 . 2]" 1 195 1 46 ARG HA 1 46 ARG HD2 4.970 . 5.470 4.320 4.223 4.435 . 0 0 "[ . 1 . 2]" 1 196 1 46 ARG HA 1 46 ARG HD3 4.800 . 5.300 4.714 4.486 4.785 . 0 0 "[ . 1 . 2]" 1 197 1 46 ARG HA 1 47 LEU H 3.350 . 3.850 2.318 2.231 2.391 . 0 0 "[ . 1 . 2]" 1 198 1 46 ARG HA 1 47 LEU HA 5.210 . 5.710 4.473 4.435 4.518 . 0 0 "[ . 1 . 2]" 1 199 1 46 ARG HA 1 47 LEU MD1 6.610 . 7.110 5.023 4.261 5.447 . 0 0 "[ . 1 . 2]" 1 200 1 46 ARG HA 1 47 LEU MD2 6.490 . 6.990 4.758 3.149 5.629 . 0 0 "[ . 1 . 2]" 1 201 1 46 ARG HA 1 88 PHE HA 4.000 . 4.500 2.290 2.141 2.559 . 0 0 "[ . 1 . 2]" 1 202 1 46 ARG HA 1 88 PHE QD 4.690 . 5.190 3.221 2.898 3.524 . 0 0 "[ . 1 . 2]" 1 203 1 46 ARG HA 1 118 SER HB2 5.500 . 6.000 3.729 3.572 3.978 . 0 0 "[ . 1 . 2]" 1 204 1 46 ARG HB2 1 47 LEU H 4.930 . 5.430 4.047 3.936 4.234 . 0 0 "[ . 1 . 2]" 1 205 1 46 ARG HB2 1 88 PHE QD 5.280 . 5.780 3.339 2.839 4.521 . 0 0 "[ . 1 . 2]" 1 206 1 46 ARG HB2 1 116 PHE H 5.380 . 5.880 4.686 3.334 5.538 . 0 0 "[ . 1 . 2]" 1 207 1 46 ARG HB2 1 116 PHE HB2 4.970 . 5.470 3.250 2.023 3.709 . 0 0 "[ . 1 . 2]" 1 208 1 46 ARG HB2 1 116 PHE HB3 4.560 . 5.060 4.461 3.491 4.869 . 0 0 "[ . 1 . 2]" 1 209 1 46 ARG HB2 1 118 SER HB2 4.590 . 5.090 2.221 1.977 2.694 . 0 0 "[ . 1 . 2]" 1 210 1 46 ARG HB2 1 118 SER HB3 4.710 . 5.210 3.740 3.469 4.332 . 0 0 "[ . 1 . 2]" 1 211 1 46 ARG HB3 1 47 LEU H 4.800 . 5.300 3.690 2.776 4.090 . 0 0 "[ . 1 . 2]" 1 212 1 46 ARG HB3 1 88 PHE HA 5.500 . 6.000 5.136 4.957 5.283 . 0 0 "[ . 1 . 2]" 1 213 1 46 ARG HB3 1 88 PHE QD 5.190 . 5.690 4.629 4.486 4.739 . 0 0 "[ . 1 . 2]" 1 214 1 46 ARG HB3 1 116 PHE H 5.500 . 6.000 3.490 3.252 3.837 . 0 0 "[ . 1 . 2]" 1 215 1 46 ARG HB3 1 116 PHE HB3 5.020 . 5.520 3.426 3.186 3.871 . 0 0 "[ . 1 . 2]" 1 216 1 46 ARG HB3 1 118 SER HB2 4.870 . 5.370 3.381 2.909 4.237 . 0 0 "[ . 1 . 2]" 1 217 1 46 ARG HD2 1 47 LEU H 5.490 . 5.990 4.874 4.107 5.457 . 0 0 "[ . 1 . 2]" 1 218 1 46 ARG HD2 1 88 PHE QD 4.680 . 5.180 3.945 3.541 4.447 . 0 0 "[ . 1 . 2]" 1 219 1 46 ARG HD2 1 118 SER HB2 5.500 . 6.000 3.930 2.953 4.706 . 0 0 "[ . 1 . 2]" 1 220 1 46 ARG HD3 1 116 PHE QD 4.300 . 4.800 2.694 2.096 4.049 . 0 0 "[ . 1 . 2]" 1 221 1 46 ARG HG2 1 47 LEU H 4.850 . 5.350 2.680 2.469 2.995 . 0 0 "[ . 1 . 2]" 1 222 1 46 ARG HG2 1 87 ALA H 5.500 . 6.000 4.070 3.748 4.249 . 0 0 "[ . 1 . 2]" 1 223 1 46 ARG HG2 1 88 PHE QD 6.170 . 6.670 4.279 2.390 5.050 . 0 0 "[ . 1 . 2]" 1 224 1 46 ARG HG2 1 116 PHE HB2 5.500 . 6.000 3.406 2.883 4.367 . 0 0 "[ . 1 . 2]" 1 225 1 46 ARG HG2 1 116 PHE HB3 5.500 . 6.000 4.872 4.419 5.854 . 0 0 "[ . 1 . 2]" 1 226 1 46 ARG HG3 1 47 LEU H 4.710 . 5.210 2.991 2.448 4.211 . 0 0 "[ . 1 . 2]" 1 227 1 46 ARG HG3 1 87 ALA H 5.500 . 6.000 4.227 3.521 5.725 . 0 0 "[ . 1 . 2]" 1 228 1 46 ARG HG3 1 88 PHE QD 5.380 . 5.880 3.049 2.051 3.618 . 0 0 "[ . 1 . 2]" 1 229 1 46 ARG HG3 1 116 PHE HB3 5.500 . 6.000 5.737 5.525 5.930 . 0 0 "[ . 1 . 2]" 1 230 1 46 ARG HG3 1 118 SER HB2 5.500 . 6.000 3.953 2.269 4.640 . 0 0 "[ . 1 . 2]" 1 231 1 46 ARG N 1 116 PHE O 3.400 . 3.900 2.704 2.643 2.748 . 0 0 "[ . 1 . 2]" 1 232 1 47 LEU H 1 47 LEU MD1 5.430 . 5.930 4.159 3.699 4.317 . 0 0 "[ . 1 . 2]" 1 233 1 47 LEU H 1 47 LEU MD2 5.370 . 5.870 3.963 2.778 4.595 . 0 0 "[ . 1 . 2]" 1 234 1 47 LEU H 1 47 LEU HG 4.340 . 4.840 4.553 4.381 4.692 . 0 0 "[ . 1 . 2]" 1 235 1 47 LEU H 1 50 LEU MD1 6.610 . 7.110 4.607 4.013 5.254 . 0 0 "[ . 1 . 2]" 1 236 1 47 LEU H 1 87 ALA H 3.940 . 4.440 2.721 2.600 2.845 . 0 0 "[ . 1 . 2]" 1 237 1 47 LEU H 1 87 ALA HA 5.280 . 5.780 4.719 4.559 5.022 . 0 0 "[ . 1 . 2]" 1 238 1 47 LEU H 1 87 ALA MB 5.560 . 6.060 3.519 3.152 3.684 . 0 0 "[ . 1 . 2]" 1 239 1 47 LEU H 1 87 ALA O 2.400 . 2.900 2.077 1.865 2.426 . 0 0 "[ . 1 . 2]" 1 240 1 47 LEU HA 1 48 ARG H 3.360 . 3.860 2.281 2.210 2.333 . 0 0 "[ . 1 . 2]" 1 241 1 47 LEU HA 1 48 ARG HB2 4.870 . 5.370 4.312 4.034 4.533 . 0 0 "[ . 1 . 2]" 1 242 1 47 LEU HA 1 87 ALA H 5.500 . 6.000 4.671 4.562 4.836 . 0 0 "[ . 1 . 2]" 1 243 1 47 LEU HA 1 113 ILE MG 5.560 . 6.060 3.908 3.664 4.197 . 0 0 "[ . 1 . 2]" 1 244 1 47 LEU HA 1 114 GLU H 5.290 . 5.790 4.295 3.875 4.583 . 0 0 "[ . 1 . 2]" 1 245 1 47 LEU HA 1 115 VAL HA 3.950 . 4.450 2.910 2.698 3.289 . 0 0 "[ . 1 . 2]" 1 246 1 47 LEU HA 1 115 VAL MG1 6.000 . 6.500 3.994 3.695 4.516 . 0 0 "[ . 1 . 2]" 1 247 1 47 LEU HA 1 116 PHE H 4.670 . 5.170 3.758 3.511 4.012 . 0 0 "[ . 1 . 2]" 1 248 1 47 LEU HB2 1 48 ARG H 4.290 . 4.790 4.240 4.080 4.455 . 0 0 "[ . 1 . 2]" 1 249 1 47 LEU HB2 1 50 LEU MD1 5.900 . 6.400 3.784 2.536 4.593 . 0 0 "[ . 1 . 2]" 1 250 1 47 LEU HB2 1 87 ALA H 4.400 . 4.900 3.915 3.016 4.481 . 0 0 "[ . 1 . 2]" 1 251 1 47 LEU HB2 1 113 ILE MG 5.690 . 6.190 4.742 4.554 4.946 . 0 0 "[ . 1 . 2]" 1 252 1 47 LEU HB2 1 115 VAL HA 5.500 . 6.000 5.060 4.493 5.732 . 0 0 "[ . 1 . 2]" 1 253 1 47 LEU HB3 1 48 ARG H 4.080 . 4.580 3.441 2.851 3.922 . 0 0 "[ . 1 . 2]" 1 254 1 47 LEU HB3 1 50 LEU MD1 4.250 . 4.750 2.576 1.969 3.120 . 0 0 "[ . 1 . 2]" 1 255 1 47 LEU HB3 1 59 ILE HG13 5.270 . 5.770 5.619 5.472 5.696 . 0 0 "[ . 1 . 2]" 1 256 1 47 LEU HB3 1 87 ALA H 5.010 . 5.510 3.438 2.998 4.082 . 0 0 "[ . 1 . 2]" 1 257 1 47 LEU HB3 1 113 ILE MG 5.310 . 5.810 4.085 3.177 4.564 . 0 0 "[ . 1 . 2]" 1 258 1 47 LEU MD1 1 48 ARG H 5.450 . 5.950 3.047 2.707 3.689 . 0 0 "[ . 1 . 2]" 1 259 1 47 LEU MD1 1 50 LEU MD1 6.460 . 6.960 4.139 2.768 4.638 . 0 0 "[ . 1 . 2]" 1 260 1 47 LEU MD1 1 62 PHE QD 7.210 . 7.710 3.009 2.593 3.439 . 0 0 "[ . 1 . 2]" 1 261 1 47 LEU MD1 1 62 PHE QE 6.200 . 6.700 2.634 2.200 3.121 . 0 0 "[ . 1 . 2]" 1 262 1 47 LEU MD1 1 63 PHE QE 5.070 . 5.570 2.451 2.163 2.958 . 0 0 "[ . 1 . 2]" 1 263 1 47 LEU MD1 1 113 ILE HB 6.610 . 7.110 4.122 3.681 4.788 . 0 0 "[ . 1 . 2]" 1 264 1 47 LEU MD1 1 113 ILE HG13 6.610 . 7.110 4.669 4.218 5.502 . 0 0 "[ . 1 . 2]" 1 265 1 47 LEU MD1 1 113 ILE MG 5.680 . 6.180 2.218 1.882 2.886 . 0 0 "[ . 1 . 2]" 1 266 1 47 LEU MD1 1 115 VAL H 6.610 . 7.110 4.460 3.572 4.840 . 0 0 "[ . 1 . 2]" 1 267 1 47 LEU MD1 1 115 VAL HA 5.070 . 5.570 2.579 2.289 3.175 . 0 0 "[ . 1 . 2]" 1 268 1 47 LEU MD1 1 115 VAL MG1 5.510 . 6.010 2.289 2.094 2.748 . 0 0 "[ . 1 . 2]" 1 269 1 47 LEU MD1 1 116 PHE H 6.280 . 6.780 4.133 3.663 4.749 . 0 0 "[ . 1 . 2]" 1 270 1 47 LEU MD2 1 50 LEU MD1 6.000 . 6.500 3.236 2.339 4.407 . 0 0 "[ . 1 . 2]" 1 271 1 47 LEU MD2 1 59 ILE HA 6.610 . 7.110 3.924 3.101 5.461 . 0 0 "[ . 1 . 2]" 1 272 1 47 LEU MD2 1 59 ILE MD 5.060 . 5.560 2.904 2.316 3.589 . 0 0 "[ . 1 . 2]" 1 273 1 47 LEU MD2 1 62 PHE QE 7.000 . 7.500 4.166 3.425 5.132 . 0 0 "[ . 1 . 2]" 1 274 1 47 LEU MD2 1 63 PHE QD 5.540 . 6.040 4.089 3.932 4.176 . 0 0 "[ . 1 . 2]" 1 275 1 47 LEU MD2 1 63 PHE QE 5.320 . 5.820 2.342 2.023 2.610 . 0 0 "[ . 1 . 2]" 1 276 1 47 LEU MD2 1 87 ALA H 6.220 . 6.720 4.765 4.432 5.178 . 0 0 "[ . 1 . 2]" 1 277 1 47 LEU MD2 1 113 ILE MG 5.940 . 6.440 3.150 2.368 4.276 . 0 0 "[ . 1 . 2]" 1 278 1 47 LEU MD2 1 115 VAL HA 6.060 . 6.560 4.493 3.068 5.225 . 0 0 "[ . 1 . 2]" 1 279 1 47 LEU MD2 1 115 VAL MG1 6.300 . 6.800 3.941 3.035 4.420 . 0 0 "[ . 1 . 2]" 1 280 1 47 LEU HG 1 48 ARG H 5.500 . 6.000 3.307 2.207 5.007 . 0 0 "[ . 1 . 2]" 1 281 1 47 LEU HG 1 115 VAL MG1 5.740 . 6.240 4.571 4.074 4.925 . 0 0 "[ . 1 . 2]" 1 282 1 47 LEU N 1 87 ALA O 3.400 . 3.900 3.052 2.874 3.366 . 0 0 "[ . 1 . 2]" 1 283 1 47 LEU O 1 87 ALA H 2.400 . 2.900 1.963 1.841 2.238 . 0 0 "[ . 1 . 2]" 1 284 1 47 LEU O 1 87 ALA N 3.400 . 3.900 2.891 2.789 3.126 . 0 0 "[ . 1 . 2]" 1 285 1 48 ARG H 1 48 ARG HB2 4.060 . 4.560 3.307 2.842 3.421 . 0 0 "[ . 1 . 2]" 1 286 1 48 ARG H 1 49 GLY H 5.330 . 5.830 4.159 1.772 4.431 0.028 14 0 "[ . 1 . 2]" 1 287 1 48 ARG H 1 86 GLU HA 5.420 . 5.920 4.558 4.364 4.729 . 0 0 "[ . 1 . 2]" 1 288 1 48 ARG H 1 87 ALA H 5.500 . 6.000 4.936 4.760 5.172 . 0 0 "[ . 1 . 2]" 1 289 1 48 ARG H 1 113 ILE HA 5.040 . 5.540 4.645 4.482 4.880 . 0 0 "[ . 1 . 2]" 1 290 1 48 ARG H 1 113 ILE MG 5.420 . 5.920 3.070 2.923 3.375 . 0 0 "[ . 1 . 2]" 1 291 1 48 ARG H 1 114 GLU H 4.600 . 5.100 2.686 2.530 2.915 . 0 0 "[ . 1 . 2]" 1 292 1 48 ARG H 1 114 GLU QB 6.170 . 6.670 3.068 2.269 3.499 . 0 0 "[ . 1 . 2]" 1 293 1 48 ARG H 1 114 GLU O 2.400 . 2.900 2.378 2.029 2.575 . 0 0 "[ . 1 . 2]" 1 294 1 48 ARG H 1 116 PHE QE 5.840 . 6.340 4.726 4.282 5.318 . 0 0 "[ . 1 . 2]" 1 295 1 48 ARG HA 1 48 ARG HD2 4.280 . 4.780 4.236 2.432 4.591 . 0 0 "[ . 1 . 2]" 1 296 1 48 ARG HA 1 48 ARG HD3 4.640 . 5.140 3.739 2.107 4.770 . 0 0 "[ . 1 . 2]" 1 297 1 48 ARG HA 1 50 LEU MD1 5.370 . 5.870 2.965 2.110 3.997 . 0 0 "[ . 1 . 2]" 1 298 1 48 ARG HA 1 50 LEU MD2 5.850 . 6.350 4.558 3.946 5.136 . 0 0 "[ . 1 . 2]" 1 299 1 48 ARG HA 1 86 GLU HA 5.500 . 6.000 2.199 1.940 2.458 . 0 0 "[ . 1 . 2]" 1 300 1 48 ARG HA 1 86 GLU HB3 4.050 . 4.550 3.109 2.736 3.505 . 0 0 "[ . 1 . 2]" 1 301 1 48 ARG HA 1 87 ALA H 4.510 . 5.010 3.840 3.545 4.161 . 0 0 "[ . 1 . 2]" 1 302 1 48 ARG HA 1 113 ILE MG 6.460 . 6.960 4.699 4.398 5.159 . 0 0 "[ . 1 . 2]" 1 303 1 48 ARG HB2 1 49 GLY H 4.950 . 5.450 4.035 3.814 4.630 . 0 0 "[ . 1 . 2]" 1 304 1 48 ARG HB2 1 114 GLU H 5.480 . 5.980 5.323 4.410 5.726 . 0 0 "[ . 1 . 2]" 1 305 1 48 ARG HB2 1 116 PHE QD 5.570 . 6.070 3.684 3.026 4.219 . 0 0 "[ . 1 . 2]" 1 306 1 48 ARG HB2 1 116 PHE QE 5.510 . 6.010 2.500 2.143 3.472 . 0 0 "[ . 1 . 2]" 1 307 1 48 ARG HB3 1 49 GLY H 5.030 . 5.530 3.653 2.672 4.372 . 0 0 "[ . 1 . 2]" 1 308 1 48 ARG HB3 1 116 PHE QE 6.170 . 6.670 2.703 2.114 3.999 . 0 0 "[ . 1 . 2]" 1 309 1 48 ARG QD 2 3 G Q5' 6.930 . 7.430 5.260 4.899 5.570 . 0 0 "[ . 1 . 2]" 1 310 1 48 ARG HD2 1 49 GLY H 5.500 . 6.000 4.186 3.182 5.572 . 0 0 "[ . 1 . 2]" 1 311 1 48 ARG HE 1 116 PHE QD 6.170 . 6.670 4.819 4.216 5.537 . 0 0 "[ . 1 . 2]" 1 312 1 48 ARG HE 1 116 PHE QE 5.050 . 5.550 3.120 2.399 4.229 . 0 0 "[ . 1 . 2]" 1 313 1 48 ARG HE 1 116 PHE HZ 5.500 . 6.000 4.356 2.255 5.520 . 0 0 "[ . 1 . 2]" 1 314 1 48 ARG QG 1 49 GLY H 5.120 . 5.620 2.326 1.746 4.696 0.054 13 0 "[ . 1 . 2]" 1 315 1 48 ARG QG 2 3 G Q5' 6.930 . 7.430 5.507 5.161 5.764 . 0 0 "[ . 1 . 2]" 1 316 1 48 ARG N 1 114 GLU O 3.400 . 3.900 3.282 2.921 3.476 . 0 0 "[ . 1 . 2]" 1 317 1 49 GLY H 1 50 LEU H 4.210 . 4.710 2.422 1.788 2.804 0.012 2 0 "[ . 1 . 2]" 1 318 1 49 GLY H 1 50 LEU HG 5.430 . 5.930 4.581 2.776 5.734 . 0 0 "[ . 1 . 2]" 1 319 1 49 GLY H 1 86 GLU HA 4.860 . 5.360 4.025 3.356 5.130 . 0 0 "[ . 1 . 2]" 1 320 1 49 GLY HA3 1 113 ILE MD 6.610 . 7.110 3.455 3.085 4.479 . 0 0 "[ . 1 . 2]" 1 321 1 49 GLY HA3 2 3 G H1 5.000 . 5.500 2.855 2.532 3.388 . 0 0 "[ . 1 . 2]" 1 322 1 50 LEU H 1 50 LEU MD1 5.200 . 5.700 2.545 1.534 3.473 0.266 4 0 "[ . 1 . 2]" 1 323 1 50 LEU H 1 50 LEU MD2 5.360 . 5.860 3.199 2.254 3.952 . 0 0 "[ . 1 . 2]" 1 324 1 50 LEU H 1 50 LEU HG 3.970 . 4.470 2.704 1.959 3.781 . 0 0 "[ . 1 . 2]" 1 325 1 50 LEU H 1 51 PRO HD2 5.170 . 5.670 4.927 4.749 5.098 . 0 0 "[ . 1 . 2]" 1 326 1 50 LEU H 1 85 GLY HA2 5.220 . 5.720 4.284 3.714 4.696 . 0 0 "[ . 1 . 2]" 1 327 1 50 LEU H 1 85 GLY HA3 5.000 . 5.500 4.909 4.239 5.204 . 0 0 "[ . 1 . 2]" 1 328 1 50 LEU H 1 86 GLU HA 5.470 . 5.970 4.045 3.897 4.298 . 0 0 "[ . 1 . 2]" 1 329 1 50 LEU H 1 113 ILE MD 6.610 . 7.110 3.635 3.151 4.064 . 0 0 "[ . 1 . 2]" 1 330 1 50 LEU H 1 113 ILE MG 6.610 . 7.110 3.770 3.421 4.168 . 0 0 "[ . 1 . 2]" 1 331 1 50 LEU HA 1 51 PRO HB2 5.500 . 6.000 5.336 5.104 5.565 . 0 0 "[ . 1 . 2]" 1 332 1 50 LEU HA 1 51 PRO HD2 4.010 . 4.510 2.513 2.205 2.877 . 0 0 "[ . 1 . 2]" 1 333 1 50 LEU HA 1 51 PRO HD3 4.080 . 4.580 2.034 1.891 2.194 . 0 0 "[ . 1 . 2]" 1 334 1 50 LEU HA 1 51 PRO HG2 4.710 . 5.210 4.501 4.383 4.690 . 0 0 "[ . 1 . 2]" 1 335 1 50 LEU HA 1 51 PRO HG3 5.280 . 5.780 4.259 4.133 4.393 . 0 0 "[ . 1 . 2]" 1 336 1 50 LEU HA 1 54 CYS HB2 5.350 . 5.850 4.233 3.900 4.484 . 0 0 "[ . 1 . 2]" 1 337 1 50 LEU HA 1 54 CYS HB3 5.500 . 6.000 4.522 3.820 5.163 . 0 0 "[ . 1 . 2]" 1 338 1 50 LEU HA 1 108 ILE HB 5.220 . 5.720 5.144 4.405 5.322 . 0 0 "[ . 1 . 2]" 1 339 1 50 LEU HA 1 108 ILE MD 6.530 . 7.030 3.727 3.009 4.891 . 0 0 "[ . 1 . 2]" 1 340 1 50 LEU HA 1 108 ILE MG 6.020 . 6.520 4.744 3.521 5.139 . 0 0 "[ . 1 . 2]" 1 341 1 50 LEU HA 1 113 ILE MD 4.940 . 5.440 2.107 1.815 2.321 . 0 0 "[ . 1 . 2]" 1 342 1 50 LEU HA 1 113 ILE HG13 5.480 . 5.980 4.574 4.173 4.862 . 0 0 "[ . 1 . 2]" 1 343 1 50 LEU HA 1 113 ILE MG 6.450 . 6.950 3.481 3.089 3.798 . 0 0 "[ . 1 . 2]" 1 344 1 50 LEU HB2 1 51 PRO HA 4.890 . 5.390 5.092 4.883 5.339 . 0 0 "[ . 1 . 2]" 1 345 1 50 LEU HB2 1 51 PRO HD2 4.630 . 5.130 3.334 1.996 4.405 . 0 0 "[ . 1 . 2]" 1 346 1 50 LEU HB2 1 51 PRO HD3 4.360 . 4.860 4.139 3.001 4.763 . 0 0 "[ . 1 . 2]" 1 347 1 50 LEU HB2 1 54 CYS HB2 5.450 . 5.950 4.263 2.483 5.459 . 0 0 "[ . 1 . 2]" 1 348 1 50 LEU HB2 1 113 ILE MD 6.610 . 7.110 4.214 2.796 4.843 . 0 0 "[ . 1 . 2]" 1 349 1 50 LEU HB3 1 51 PRO HD2 4.860 . 5.360 2.686 2.164 3.430 . 0 0 "[ . 1 . 2]" 1 350 1 50 LEU HB3 1 51 PRO HD3 4.710 . 5.210 3.609 3.378 3.994 . 0 0 "[ . 1 . 2]" 1 351 1 50 LEU HB3 1 54 CYS HB2 5.500 . 6.000 3.581 2.723 4.519 . 0 0 "[ . 1 . 2]" 1 352 1 50 LEU HB3 1 54 CYS HB3 5.050 . 5.550 3.167 2.255 4.407 . 0 0 "[ . 1 . 2]" 1 353 1 50 LEU MD1 1 51 PRO HD2 6.020 . 6.520 4.492 3.884 4.922 . 0 0 "[ . 1 . 2]" 1 354 1 50 LEU MD1 1 51 PRO HD3 6.610 . 7.110 5.139 5.001 5.477 . 0 0 "[ . 1 . 2]" 1 355 1 50 LEU MD1 1 54 CYS HB2 6.610 . 7.110 4.763 3.461 5.533 . 0 0 "[ . 1 . 2]" 1 356 1 50 LEU MD1 1 54 CYS HB3 5.760 . 6.260 3.842 2.732 4.593 . 0 0 "[ . 1 . 2]" 1 357 1 50 LEU MD1 1 83 ILE MD 6.220 . 6.720 3.176 2.144 4.339 . 0 0 "[ . 1 . 2]" 1 358 1 50 LEU MD1 1 83 ILE MG 7.930 . 8.430 4.811 3.821 5.658 . 0 0 "[ . 1 . 2]" 1 359 1 50 LEU MD1 1 85 GLY HA2 6.180 . 6.680 3.764 3.210 4.041 . 0 0 "[ . 1 . 2]" 1 360 1 50 LEU MD1 1 85 GLY HA3 6.610 . 7.110 4.667 4.158 5.096 . 0 0 "[ . 1 . 2]" 1 361 1 50 LEU MD1 1 86 GLU H 6.610 . 7.110 3.626 3.294 4.129 . 0 0 "[ . 1 . 2]" 1 362 1 50 LEU MD1 1 86 GLU HA 6.050 . 6.550 2.369 2.028 2.990 . 0 0 "[ . 1 . 2]" 1 363 1 50 LEU MD1 1 87 ALA H 6.390 . 6.890 3.282 2.809 3.892 . 0 0 "[ . 1 . 2]" 1 364 1 50 LEU MD1 1 87 ALA HA 6.510 . 7.010 4.243 3.859 4.776 . 0 0 "[ . 1 . 2]" 1 365 1 50 LEU MD1 1 87 ALA MB 5.350 . 5.850 2.329 1.905 2.812 . 0 0 "[ . 1 . 2]" 1 366 1 50 LEU MD1 1 108 ILE MD 7.930 . 8.430 4.931 4.367 5.529 . 0 0 "[ . 1 . 2]" 1 367 1 50 LEU MD2 1 51 PRO HB2 6.610 . 7.110 5.302 4.472 5.833 . 0 0 "[ . 1 . 2]" 1 368 1 50 LEU MD2 1 51 PRO HD2 5.500 . 6.000 2.961 2.263 3.693 . 0 0 "[ . 1 . 2]" 1 369 1 50 LEU MD2 1 51 PRO HD3 5.430 . 5.930 3.632 2.807 4.373 . 0 0 "[ . 1 . 2]" 1 370 1 50 LEU MD2 1 51 PRO HG2 6.300 . 6.800 4.746 3.981 5.362 . 0 0 "[ . 1 . 2]" 1 371 1 50 LEU MD2 1 51 PRO HG3 6.610 . 7.110 5.044 4.227 5.825 . 0 0 "[ . 1 . 2]" 1 372 1 50 LEU MD2 1 52 PHE HA 6.610 . 7.110 5.102 3.508 5.896 . 0 0 "[ . 1 . 2]" 1 373 1 50 LEU MD2 1 54 CYS HB2 6.280 . 6.780 3.066 2.070 3.643 . 0 0 "[ . 1 . 2]" 1 374 1 50 LEU MD2 1 54 CYS HB3 5.730 . 6.230 2.402 2.091 2.780 . 0 0 "[ . 1 . 2]" 1 375 1 50 LEU MD2 1 83 ILE MD 5.620 . 6.120 3.161 2.034 3.902 . 0 0 "[ . 1 . 2]" 1 376 1 50 LEU MD2 1 83 ILE MG 7.930 . 8.430 5.017 4.106 5.593 . 0 0 "[ . 1 . 2]" 1 377 1 50 LEU MD2 1 85 GLY HA2 6.610 . 7.110 4.434 2.234 5.587 . 0 0 "[ . 1 . 2]" 1 378 1 50 LEU MD2 1 87 ALA H 6.610 . 7.110 5.106 4.451 5.553 . 0 0 "[ . 1 . 2]" 1 379 1 50 LEU MD2 1 113 ILE MD 5.730 . 6.230 3.173 2.041 4.207 . 0 0 "[ . 1 . 2]" 1 380 1 50 LEU HG 1 51 PRO HD2 5.500 . 6.000 4.319 4.098 5.003 . 0 0 "[ . 1 . 2]" 1 381 1 50 LEU HG 1 51 PRO HD3 5.120 . 5.620 4.853 4.224 5.319 . 0 0 "[ . 1 . 2]" 1 382 1 50 LEU HG 1 83 ILE MD 6.610 . 7.110 4.413 3.638 5.516 . 0 0 "[ . 1 . 2]" 1 383 1 50 LEU HG 1 85 GLY HA2 5.500 . 6.000 5.198 4.591 5.771 . 0 0 "[ . 1 . 2]" 1 384 1 50 LEU HG 1 113 ILE MD 6.610 . 7.110 3.831 3.128 4.579 . 0 0 "[ . 1 . 2]" 1 385 1 50 LEU HG 1 113 ILE MG 6.610 . 7.110 3.711 2.952 5.134 . 0 0 "[ . 1 . 2]" 1 386 1 50 LEU O 2 2 G H1 2.400 . 2.900 1.774 1.700 1.851 0.100 9 0 "[ . 1 . 2]" 1 387 1 50 LEU O 2 2 G N1 3.400 2.400 3.900 2.709 2.552 2.859 . 0 0 "[ . 1 . 2]" 1 388 1 51 PRO HA 1 52 PHE HB2 4.970 . 5.470 4.568 4.158 4.970 . 0 0 "[ . 1 . 2]" 1 389 1 51 PRO HA 1 110 HIS HE1 5.410 . 5.910 4.014 3.559 4.534 . 0 0 "[ . 1 . 2]" 1 390 1 51 PRO HA 1 111 ARG HB3 5.500 . 6.000 4.663 4.211 5.110 . 0 0 "[ . 1 . 2]" 1 391 1 51 PRO HA 1 111 ARG HD2 5.500 . 6.000 2.812 2.002 5.241 . 0 0 "[ . 1 . 2]" 1 392 1 51 PRO HA 2 2 G H1 5.000 . 5.500 2.946 2.633 3.630 . 0 0 "[ . 1 . 2]" 1 393 1 51 PRO HB2 1 52 PHE H 4.620 . 5.120 3.844 3.125 4.384 . 0 0 "[ . 1 . 2]" 1 394 1 51 PRO HB2 1 54 CYS HB2 5.200 . 5.700 3.630 2.401 5.291 . 0 0 "[ . 1 . 2]" 1 395 1 51 PRO HB2 1 108 ILE MG 6.030 . 6.530 4.529 4.078 5.067 . 0 0 "[ . 1 . 2]" 1 396 1 51 PRO HB2 1 110 HIS HE1 4.660 . 5.160 3.369 2.192 4.712 . 0 0 "[ . 1 . 2]" 1 397 1 51 PRO HB2 1 113 ILE MD 6.610 . 7.110 5.403 5.008 5.595 . 0 0 "[ . 1 . 2]" 1 398 1 51 PRO HB3 1 52 PHE H 4.460 . 4.960 3.870 3.035 4.656 . 0 0 "[ . 1 . 2]" 1 399 1 51 PRO HB3 1 54 CYS H 5.120 . 5.620 4.685 3.967 5.282 . 0 0 "[ . 1 . 2]" 1 400 1 51 PRO HB3 1 54 CYS HB2 5.300 . 5.800 4.658 4.013 5.514 . 0 0 "[ . 1 . 2]" 1 401 1 51 PRO HB3 1 108 ILE MG 5.550 . 6.050 4.302 3.372 4.753 . 0 0 "[ . 1 . 2]" 1 402 1 51 PRO HB3 1 110 HIS HE1 4.390 . 4.890 2.395 2.144 2.953 . 0 0 "[ . 1 . 2]" 1 403 1 51 PRO HB3 1 111 ARG HB3 5.500 . 6.000 4.124 2.751 5.479 . 0 0 "[ . 1 . 2]" 1 404 1 51 PRO HB3 2 2 G H1 5.000 . 5.500 5.151 4.738 5.509 0.009 9 0 "[ . 1 . 2]" 1 405 1 51 PRO HD2 1 54 CYS HB3 5.500 . 6.000 2.910 2.330 3.570 . 0 0 "[ . 1 . 2]" 1 406 1 51 PRO HD2 1 108 ILE HB 5.160 . 5.660 4.980 4.539 5.281 . 0 0 "[ . 1 . 2]" 1 407 1 51 PRO HD2 1 108 ILE MD 6.610 . 7.110 3.215 2.417 3.640 . 0 0 "[ . 1 . 2]" 1 408 1 51 PRO HD2 1 108 ILE MG 5.970 . 6.470 3.653 2.560 4.202 . 0 0 "[ . 1 . 2]" 1 409 1 51 PRO HD2 1 111 ARG HB3 5.500 . 6.000 5.354 4.558 5.674 . 0 0 "[ . 1 . 2]" 1 410 1 51 PRO HD2 1 113 ILE MD 5.570 . 6.070 3.329 2.888 3.622 . 0 0 "[ . 1 . 2]" 1 411 1 51 PRO HD3 1 54 CYS H 5.500 . 6.000 5.070 4.469 5.518 . 0 0 "[ . 1 . 2]" 1 412 1 51 PRO HD3 1 54 CYS HB2 5.020 . 5.520 3.579 3.313 3.722 . 0 0 "[ . 1 . 2]" 1 413 1 51 PRO HD3 1 54 CYS HB3 4.780 . 5.280 4.551 4.028 4.863 . 0 0 "[ . 1 . 2]" 1 414 1 51 PRO HD3 1 108 ILE HB 5.500 . 6.000 3.901 3.539 4.510 . 0 0 "[ . 1 . 2]" 1 415 1 51 PRO HD3 1 108 ILE MD 6.610 . 7.110 3.041 2.145 4.116 . 0 0 "[ . 1 . 2]" 1 416 1 51 PRO HD3 1 108 ILE MG 5.940 . 6.440 3.241 2.317 3.635 . 0 0 "[ . 1 . 2]" 1 417 1 51 PRO HD3 1 111 ARG HB3 5.500 . 6.000 3.732 2.944 4.040 . 0 0 "[ . 1 . 2]" 1 418 1 51 PRO HD3 1 113 ILE MD 5.750 . 6.250 2.234 2.005 2.528 . 0 0 "[ . 1 . 2]" 1 419 1 51 PRO HG2 1 54 CYS H 4.840 . 5.340 3.532 2.259 4.453 . 0 0 "[ . 1 . 2]" 1 420 1 51 PRO HG2 1 54 CYS HA 4.060 . 4.560 4.038 3.577 4.294 . 0 0 "[ . 1 . 2]" 1 421 1 51 PRO HG2 1 54 CYS HB2 4.590 . 5.090 2.715 2.068 2.985 . 0 0 "[ . 1 . 2]" 1 422 1 51 PRO HG2 1 54 CYS HB3 4.720 . 5.220 4.167 3.279 4.656 . 0 0 "[ . 1 . 2]" 1 423 1 51 PRO HG2 1 108 ILE HB 5.500 . 6.000 5.017 4.130 5.785 . 0 0 "[ . 1 . 2]" 1 424 1 51 PRO HG2 1 108 ILE MD 6.610 . 7.110 3.653 2.828 4.592 . 0 0 "[ . 1 . 2]" 1 425 1 51 PRO HG2 1 108 ILE MG 5.090 . 5.590 3.021 2.259 3.990 . 0 0 "[ . 1 . 2]" 1 426 1 51 PRO HG2 1 113 ILE MD 6.610 . 7.110 4.374 3.746 4.968 . 0 0 "[ . 1 . 2]" 1 427 1 51 PRO HG3 1 52 PHE H 5.230 . 5.730 5.164 4.901 5.467 . 0 0 "[ . 1 . 2]" 1 428 1 51 PRO HG3 1 54 CYS HB2 5.390 . 5.890 3.814 2.937 4.279 . 0 0 "[ . 1 . 2]" 1 429 1 51 PRO HG3 1 54 CYS HB3 5.500 . 6.000 5.203 4.282 5.639 . 0 0 "[ . 1 . 2]" 1 430 1 51 PRO HG3 1 108 ILE HB 5.460 . 5.960 4.221 3.556 5.484 . 0 0 "[ . 1 . 2]" 1 431 1 51 PRO HG3 1 110 HIS HE1 5.500 . 6.000 2.917 2.254 4.220 . 0 0 "[ . 1 . 2]" 1 432 1 51 PRO HG3 1 113 ILE MD 6.610 . 7.110 3.679 3.184 4.070 . 0 0 "[ . 1 . 2]" 1 433 1 52 PHE H 1 52 PHE HB2 4.110 . 4.610 2.838 2.228 3.613 . 0 0 "[ . 1 . 2]" 1 434 1 52 PHE H 1 52 PHE HB3 4.010 . 4.510 3.756 3.518 4.043 . 0 0 "[ . 1 . 2]" 1 435 1 52 PHE H 1 52 PHE QD 5.150 . 5.650 3.103 2.347 3.558 . 0 0 "[ . 1 . 2]" 1 436 1 52 PHE H 1 52 PHE QE 6.170 . 6.670 4.724 4.418 4.961 . 0 0 "[ . 1 . 2]" 1 437 1 52 PHE HA 1 52 PHE QE 5.410 . 5.910 4.473 4.281 4.657 . 0 0 "[ . 1 . 2]" 1 438 1 52 PHE HA 1 54 CYS H 5.070 . 5.570 3.980 3.706 4.440 . 0 0 "[ . 1 . 2]" 1 439 1 52 PHE HA 1 83 ILE HB 5.170 . 5.670 4.795 4.377 5.176 . 0 0 "[ . 1 . 2]" 1 440 1 52 PHE HA 1 83 ILE MD 4.800 . 5.300 2.060 1.940 2.196 . 0 0 "[ . 1 . 2]" 1 441 1 52 PHE HA 1 83 ILE HG12 4.380 . 4.880 3.077 2.041 3.770 . 0 0 "[ . 1 . 2]" 1 442 1 52 PHE HA 1 83 ILE HG13 4.370 . 4.870 2.749 2.010 3.511 . 0 0 "[ . 1 . 2]" 1 443 1 52 PHE HA 2 2 G H1 5.000 . 5.500 4.791 3.558 5.203 . 0 0 "[ . 1 . 2]" 1 444 1 52 PHE HB2 1 53 GLY H 5.360 . 5.860 3.778 3.366 4.029 . 0 0 "[ . 1 . 2]" 1 445 1 52 PHE HB2 1 83 ILE MD 6.140 . 6.640 4.615 4.461 4.757 . 0 0 "[ . 1 . 2]" 1 446 1 52 PHE HB2 2 1 A H2 5.500 . 6.000 4.913 3.524 5.591 . 0 0 "[ . 1 . 2]" 1 447 1 52 PHE HB3 1 53 GLY H 5.500 . 6.000 4.327 4.152 4.418 . 0 0 "[ . 1 . 2]" 1 448 1 52 PHE QD 1 53 GLY H 6.170 . 6.670 4.864 4.666 5.003 . 0 0 "[ . 1 . 2]" 1 449 1 52 PHE QD 1 83 ILE H 6.170 . 6.670 4.547 2.720 5.514 . 0 0 "[ . 1 . 2]" 1 450 1 52 PHE QD 1 83 ILE HB 5.580 . 6.080 5.042 4.811 5.292 . 0 0 "[ . 1 . 2]" 1 451 1 52 PHE QD 1 83 ILE MD 6.650 . 7.150 3.281 2.203 3.921 . 0 0 "[ . 1 . 2]" 1 452 1 52 PHE QD 1 83 ILE HG12 5.510 . 6.010 3.957 2.531 4.652 . 0 0 "[ . 1 . 2]" 1 453 1 52 PHE QD 1 83 ILE HG13 6.170 . 6.670 2.851 2.476 3.106 . 0 0 "[ . 1 . 2]" 1 454 1 52 PHE QD 1 83 ILE MG 7.210 . 7.710 5.250 4.088 5.533 . 0 0 "[ . 1 . 2]" 1 455 1 52 PHE QD 2 1 A H2 4.490 . 4.990 3.676 2.565 4.202 . 0 0 "[ . 1 . 2]" 1 456 1 52 PHE QD 2 1 A H8 6.170 . 6.670 4.524 2.848 5.621 . 0 0 "[ . 1 . 2]" 1 457 1 52 PHE QD 2 2 G H8 6.170 . 6.670 5.502 4.839 5.915 . 0 0 "[ . 1 . 2]" 1 458 1 52 PHE QE 1 83 ILE HG13 5.880 . 6.380 4.637 3.879 5.161 . 0 0 "[ . 1 . 2]" 1 459 1 52 PHE QE 2 1 A H2 5.610 . 6.110 4.653 3.441 5.265 . 0 0 "[ . 1 . 2]" 1 460 1 52 PHE QE 2 1 A H4' 5.610 . 6.110 4.417 3.554 5.328 . 0 0 "[ . 1 . 2]" 1 461 1 52 PHE QE 2 1 A Q5' 6.300 . 6.800 3.805 1.940 5.179 . 0 0 "[ . 1 . 2]" 1 462 1 52 PHE QE 2 1 A H8 5.610 . 6.110 3.743 2.857 4.873 . 0 0 "[ . 1 . 2]" 1 463 1 52 PHE QE 2 2 G H1' 4.490 . 4.990 4.398 4.096 5.074 0.084 9 0 "[ . 1 . 2]" 1 464 1 52 PHE QE 2 2 G H8 5.050 . 5.550 3.568 3.321 3.929 . 0 0 "[ . 1 . 2]" 1 465 1 52 PHE HZ 2 1 A H4' 5.000 . 5.500 4.487 2.833 5.419 . 0 0 "[ . 1 . 2]" 1 466 1 52 PHE HZ 2 1 A H8 5.000 . 5.500 4.797 2.742 5.408 . 0 0 "[ . 1 . 2]" 1 467 1 52 PHE HZ 2 2 G H1' 4.000 . 4.500 3.863 3.283 4.338 . 0 0 "[ . 1 . 2]" 1 468 1 52 PHE HZ 2 2 G H8 5.500 . 6.000 4.118 3.025 5.369 . 0 0 "[ . 1 . 2]" 1 469 1 53 GLY H 1 54 CYS H 4.960 . 5.460 1.897 1.682 2.160 0.118 17 0 "[ . 1 . 2]" 1 470 1 53 GLY H 1 83 ILE MD 6.610 . 7.110 3.372 2.779 4.037 . 0 0 "[ . 1 . 2]" 1 471 1 53 GLY H 1 83 ILE HG12 5.500 . 6.000 5.007 4.037 5.541 . 0 0 "[ . 1 . 2]" 1 472 1 53 GLY HA2 1 83 ILE MD 6.610 . 7.110 3.934 3.585 4.703 . 0 0 "[ . 1 . 2]" 1 473 1 53 GLY HA3 1 54 CYS HB2 5.500 . 6.000 5.330 5.255 5.391 . 0 0 "[ . 1 . 2]" 1 474 1 53 GLY HA3 1 83 ILE MD 6.610 . 7.110 4.798 4.434 5.476 . 0 0 "[ . 1 . 2]" 1 475 1 54 CYS H 1 54 CYS HB2 3.620 . 4.120 2.444 2.114 2.555 . 0 0 "[ . 1 . 2]" 1 476 1 54 CYS H 1 54 CYS HB3 3.660 . 4.160 2.438 2.185 3.463 . 0 0 "[ . 1 . 2]" 1 477 1 54 CYS H 1 55 THR H 5.000 . 5.500 4.660 4.629 4.683 . 0 0 "[ . 1 . 2]" 1 478 1 54 CYS H 1 83 ILE MD 5.190 . 5.690 2.998 2.646 3.468 . 0 0 "[ . 1 . 2]" 1 479 1 54 CYS H 1 83 ILE HG12 5.500 . 6.000 5.006 4.391 5.444 . 0 0 "[ . 1 . 2]" 1 480 1 54 CYS H 1 83 ILE MG 6.610 . 7.110 5.131 4.418 5.531 . 0 0 "[ . 1 . 2]" 1 481 1 54 CYS HA 1 55 THR H 3.150 . 3.650 2.300 2.253 2.355 . 0 0 "[ . 1 . 2]" 1 482 1 54 CYS HA 1 55 THR MG 5.300 . 5.800 4.006 3.715 4.214 . 0 0 "[ . 1 . 2]" 1 483 1 54 CYS HA 1 58 GLU HB2 4.920 . 5.420 2.913 2.467 3.793 . 0 0 "[ . 1 . 2]" 1 484 1 54 CYS HA 1 58 GLU HB3 3.240 . 3.740 3.361 2.866 3.589 . 0 0 "[ . 1 . 2]" 1 485 1 54 CYS HA 1 58 GLU QG 4.660 . 5.160 2.492 2.060 3.788 . 0 0 "[ . 1 . 2]" 1 486 1 54 CYS HA 1 59 ILE H 5.500 . 6.000 5.327 5.010 5.661 . 0 0 "[ . 1 . 2]" 1 487 1 54 CYS HB2 1 55 THR H 4.560 . 5.060 4.016 3.944 4.193 . 0 0 "[ . 1 . 2]" 1 488 1 54 CYS HB2 1 58 GLU QG 5.520 . 6.020 3.679 3.334 4.589 . 0 0 "[ . 1 . 2]" 1 489 1 54 CYS HB2 1 83 ILE MD 5.440 . 5.940 4.183 3.430 4.642 . 0 0 "[ . 1 . 2]" 1 490 1 54 CYS HB2 1 108 ILE MG 6.610 . 7.110 4.119 3.448 4.771 . 0 0 "[ . 1 . 2]" 1 491 1 54 CYS HB3 1 55 THR H 4.670 . 5.170 3.855 2.739 4.157 . 0 0 "[ . 1 . 2]" 1 492 1 54 CYS HB3 1 58 GLU QG 5.140 . 5.640 4.595 3.646 4.773 . 0 0 "[ . 1 . 2]" 1 493 1 54 CYS HB3 1 59 ILE MD 6.610 . 7.110 4.885 4.308 5.323 . 0 0 "[ . 1 . 2]" 1 494 1 54 CYS HB3 1 75 LEU MD1 6.030 . 6.530 4.523 3.536 5.101 . 0 0 "[ . 1 . 2]" 1 495 1 54 CYS HB3 1 83 ILE MD 5.280 . 5.780 3.190 2.709 4.488 . 0 0 "[ . 1 . 2]" 1 496 1 55 THR H 1 55 THR MG 4.560 . 5.060 2.586 2.492 2.675 . 0 0 "[ . 1 . 2]" 1 497 1 55 THR H 1 56 LYS H 5.200 . 5.700 4.324 4.243 4.354 . 0 0 "[ . 1 . 2]" 1 498 1 55 THR H 1 58 GLU H 4.810 . 5.310 2.703 2.532 2.938 . 0 0 "[ . 1 . 2]" 1 499 1 55 THR H 1 58 GLU HB2 4.220 . 4.720 2.249 1.818 3.461 . 0 0 "[ . 1 . 2]" 1 500 1 55 THR H 1 58 GLU QG 5.110 . 5.610 3.080 2.403 3.938 . 0 0 "[ . 1 . 2]" 1 501 1 55 THR H 1 75 LEU MD1 6.610 . 7.110 4.130 3.833 4.501 . 0 0 "[ . 1 . 2]" 1 502 1 55 THR HA 1 57 GLU H 4.860 . 5.360 4.504 4.330 4.903 . 0 0 "[ . 1 . 2]" 1 503 1 55 THR HA 1 75 LEU MD1 5.810 . 6.310 1.922 1.833 2.194 . 0 0 "[ . 1 . 2]" 1 504 1 55 THR MG 1 56 LYS H 4.790 . 5.290 2.413 2.046 2.696 . 0 0 "[ . 1 . 2]" 1 505 1 55 THR MG 1 56 LYS HA 6.610 . 7.110 4.159 4.043 4.252 . 0 0 "[ . 1 . 2]" 1 506 1 55 THR MG 1 56 LYS QB 5.770 . 6.270 3.470 2.923 4.251 . 0 0 "[ . 1 . 2]" 1 507 1 55 THR MG 1 56 LYS QD 6.110 . 6.610 3.633 3.011 4.554 . 0 0 "[ . 1 . 2]" 1 508 1 55 THR MG 1 56 LYS HE2 6.610 . 7.110 5.724 5.610 5.948 . 0 0 "[ . 1 . 2]" 1 509 1 55 THR MG 1 57 GLU H 5.330 . 5.830 1.763 1.593 2.124 0.207 8 0 "[ . 1 . 2]" 1 510 1 55 THR MG 1 57 GLU HG3 5.810 . 6.310 3.600 2.584 4.881 . 0 0 "[ . 1 . 2]" 1 511 1 55 THR MG 1 58 GLU H 5.800 . 6.300 2.953 2.680 3.295 . 0 0 "[ . 1 . 2]" 1 512 1 55 THR MG 1 59 ILE MD 7.930 . 8.430 5.087 4.876 5.445 . 0 0 "[ . 1 . 2]" 1 513 1 55 THR MG 1 60 VAL MG1 7.930 . 8.430 5.035 4.937 5.307 . 0 0 "[ . 1 . 2]" 1 514 1 55 THR MG 1 75 LEU MD1 7.790 . 8.290 3.894 3.665 4.297 . 0 0 "[ . 1 . 2]" 1 515 1 55 THR O 1 59 ILE H 2.400 . 2.900 1.983 1.841 2.391 . 0 0 "[ . 1 . 2]" 1 516 1 55 THR O 1 59 ILE N 3.400 . 3.900 2.962 2.818 3.223 . 0 0 "[ . 1 . 2]" 1 517 1 56 LYS H 1 56 LYS QD 4.970 . 5.470 2.359 1.577 3.742 0.223 19 0 "[ . 1 . 2]" 1 518 1 56 LYS H 1 56 LYS HE2 4.850 . 5.350 4.187 3.656 4.436 . 0 0 "[ . 1 . 2]" 1 519 1 56 LYS H 1 56 LYS HE3 4.800 . 5.300 2.965 2.287 3.471 . 0 0 "[ . 1 . 2]" 1 520 1 56 LYS H 1 56 LYS HG2 4.520 . 5.020 3.058 1.879 3.857 . 0 0 "[ . 1 . 2]" 1 521 1 56 LYS H 1 56 LYS HG3 4.550 . 5.050 3.115 2.751 3.491 . 0 0 "[ . 1 . 2]" 1 522 1 56 LYS H 1 57 GLU H 4.110 . 4.610 2.886 2.836 2.991 . 0 0 "[ . 1 . 2]" 1 523 1 56 LYS H 1 57 GLU HA 5.430 . 5.930 5.447 5.418 5.511 . 0 0 "[ . 1 . 2]" 1 524 1 56 LYS H 1 58 GLU H 5.390 . 5.890 4.343 4.245 4.470 . 0 0 "[ . 1 . 2]" 1 525 1 56 LYS H 1 59 ILE MD 6.610 . 7.110 4.110 3.754 4.773 . 0 0 "[ . 1 . 2]" 1 526 1 56 LYS H 1 73 ILE MD 6.580 . 7.080 4.499 4.267 4.763 . 0 0 "[ . 1 . 2]" 1 527 1 56 LYS H 1 75 LEU MD1 4.950 . 5.450 2.795 2.122 3.667 . 0 0 "[ . 1 . 2]" 1 528 1 56 LYS HA 1 56 LYS HE2 5.130 . 5.630 5.038 4.117 5.511 . 0 0 "[ . 1 . 2]" 1 529 1 56 LYS HA 1 56 LYS HE3 3.840 . 4.340 3.890 2.774 4.306 . 0 0 "[ . 1 . 2]" 1 530 1 56 LYS HA 1 56 LYS HG2 3.790 . 4.290 3.511 3.299 3.685 . 0 0 "[ . 1 . 2]" 1 531 1 56 LYS HA 1 56 LYS HG3 3.860 . 4.360 2.940 2.252 3.991 . 0 0 "[ . 1 . 2]" 1 532 1 56 LYS HA 1 58 GLU H 4.920 . 5.420 4.119 3.985 4.357 . 0 0 "[ . 1 . 2]" 1 533 1 56 LYS HA 1 59 ILE H 4.190 . 4.690 3.476 3.163 3.938 . 0 0 "[ . 1 . 2]" 1 534 1 56 LYS HA 1 59 ILE HB 3.400 . 3.900 2.488 2.052 3.068 . 0 0 "[ . 1 . 2]" 1 535 1 56 LYS HA 1 59 ILE MD 4.760 . 5.260 2.687 2.204 3.303 . 0 0 "[ . 1 . 2]" 1 536 1 56 LYS HA 1 59 ILE HG13 4.930 . 5.430 3.920 3.265 4.528 . 0 0 "[ . 1 . 2]" 1 537 1 56 LYS HA 1 59 ILE MG 6.390 . 6.890 3.730 3.401 4.171 . 0 0 "[ . 1 . 2]" 1 538 1 56 LYS HA 1 60 VAL H 4.940 . 5.440 4.097 3.850 4.368 . 0 0 "[ . 1 . 2]" 1 539 1 56 LYS HA 1 73 ILE HB 5.500 . 6.000 3.888 3.568 4.359 . 0 0 "[ . 1 . 2]" 1 540 1 56 LYS HA 1 73 ILE MD 4.650 . 5.150 2.343 2.060 2.721 . 0 0 "[ . 1 . 2]" 1 541 1 56 LYS HA 1 73 ILE HG13 5.500 . 6.000 5.043 4.627 5.538 . 0 0 "[ . 1 . 2]" 1 542 1 56 LYS HA 1 73 ILE MG 4.490 . 4.990 2.292 2.179 2.621 . 0 0 "[ . 1 . 2]" 1 543 1 56 LYS HA 1 75 LEU MD1 5.490 . 5.990 3.793 3.147 4.314 . 0 0 "[ . 1 . 2]" 1 544 1 56 LYS QB 1 57 GLU H 4.870 . 5.370 3.067 2.335 3.778 . 0 0 "[ . 1 . 2]" 1 545 1 56 LYS QB 1 59 ILE H 6.170 . 6.670 4.927 4.652 5.187 . 0 0 "[ . 1 . 2]" 1 546 1 56 LYS QD 1 57 GLU H 6.130 . 6.630 4.174 3.727 4.830 . 0 0 "[ . 1 . 2]" 1 547 1 56 LYS QD 1 73 ILE H 5.950 . 6.450 5.157 3.925 5.650 . 0 0 "[ . 1 . 2]" 1 548 1 56 LYS QD 1 73 ILE MD 5.610 . 6.110 3.849 2.124 4.272 . 0 0 "[ . 1 . 2]" 1 549 1 56 LYS HE2 1 56 LYS HG3 3.960 . 4.460 3.337 2.556 4.245 . 0 0 "[ . 1 . 2]" 1 550 1 56 LYS HE2 1 73 ILE HB 5.480 . 5.980 3.754 2.761 4.294 . 0 0 "[ . 1 . 2]" 1 551 1 56 LYS HE2 1 73 ILE MD 6.140 . 6.640 4.946 4.039 5.248 . 0 0 "[ . 1 . 2]" 1 552 1 56 LYS HE2 1 73 ILE MG 6.490 . 6.990 3.294 2.073 3.867 . 0 0 "[ . 1 . 2]" 1 553 1 56 LYS HE2 1 74 THR HA 5.330 . 5.830 3.661 3.142 4.270 . 0 0 "[ . 1 . 2]" 1 554 1 56 LYS HE2 1 75 LEU H 5.500 . 6.000 4.506 3.919 5.016 . 0 0 "[ . 1 . 2]" 1 555 1 56 LYS HE2 1 75 LEU HB2 5.270 . 5.770 4.125 3.832 4.526 . 0 0 "[ . 1 . 2]" 1 556 1 56 LYS HE2 1 75 LEU HB3 5.500 . 6.000 5.691 5.520 5.881 . 0 0 "[ . 1 . 2]" 1 557 1 56 LYS HE2 1 75 LEU MD1 5.450 . 5.950 3.642 3.053 4.593 . 0 0 "[ . 1 . 2]" 1 558 1 56 LYS HE3 1 56 LYS HG3 4.010 . 4.510 2.721 2.132 3.702 . 0 0 "[ . 1 . 2]" 1 559 1 56 LYS HE3 1 59 ILE MD 6.610 . 7.110 4.239 3.762 5.171 . 0 0 "[ . 1 . 2]" 1 560 1 56 LYS HE3 1 73 ILE H 5.500 . 6.000 5.768 5.659 5.907 . 0 0 "[ . 1 . 2]" 1 561 1 56 LYS HE3 1 73 ILE HB 4.930 . 5.430 3.794 3.621 4.111 . 0 0 "[ . 1 . 2]" 1 562 1 56 LYS HE3 1 73 ILE MD 6.220 . 6.720 4.496 3.776 4.727 . 0 0 "[ . 1 . 2]" 1 563 1 56 LYS HE3 1 73 ILE MG 5.660 . 6.160 2.712 2.313 3.411 . 0 0 "[ . 1 . 2]" 1 564 1 56 LYS HE3 1 74 THR HA 5.450 . 5.950 4.177 3.572 5.033 . 0 0 "[ . 1 . 2]" 1 565 1 56 LYS HE3 1 75 LEU H 5.310 . 5.810 4.637 3.801 5.366 . 0 0 "[ . 1 . 2]" 1 566 1 56 LYS HE3 1 75 LEU HB2 5.230 . 5.730 3.506 2.902 4.455 . 0 0 "[ . 1 . 2]" 1 567 1 56 LYS HE3 1 75 LEU HB3 5.410 . 5.910 4.936 4.482 5.474 . 0 0 "[ . 1 . 2]" 1 568 1 56 LYS HE3 1 75 LEU MD1 5.940 . 6.440 2.382 1.730 3.403 0.070 5 0 "[ . 1 . 2]" 1 569 1 56 LYS HE3 1 75 LEU HG 5.460 . 5.960 3.655 2.152 4.909 . 0 0 "[ . 1 . 2]" 1 570 1 56 LYS HG2 1 57 GLU H 5.500 . 6.000 4.450 2.679 5.453 . 0 0 "[ . 1 . 2]" 1 571 1 56 LYS HG3 1 57 GLU H 5.500 . 6.000 4.421 3.093 5.036 . 0 0 "[ . 1 . 2]" 1 572 1 56 LYS HG3 1 73 ILE HB 4.630 . 5.130 3.166 2.069 4.666 . 0 0 "[ . 1 . 2]" 1 573 1 56 LYS HG3 1 73 ILE MD 4.490 . 4.990 3.201 2.414 3.941 . 0 0 "[ . 1 . 2]" 1 574 1 56 LYS HG3 1 73 ILE MG 5.200 . 5.700 2.988 1.987 4.454 . 0 0 "[ . 1 . 2]" 1 575 1 56 LYS O 1 60 VAL H 2.400 . 2.900 2.288 1.949 2.471 . 0 0 "[ . 1 . 2]" 1 576 1 56 LYS O 1 60 VAL N 3.400 . 3.900 3.109 2.824 3.255 . 0 0 "[ . 1 . 2]" 1 577 1 57 GLU H 1 57 GLU HB2 3.520 . 4.020 2.403 2.227 2.505 . 0 0 "[ . 1 . 2]" 1 578 1 57 GLU H 1 57 GLU HB3 3.380 . 3.880 3.126 2.431 3.572 . 0 0 "[ . 1 . 2]" 1 579 1 57 GLU H 1 57 GLU HG2 4.270 . 4.770 3.787 3.283 4.437 . 0 0 "[ . 1 . 2]" 1 580 1 57 GLU H 1 57 GLU HG3 4.260 . 4.760 3.132 2.231 4.397 . 0 0 "[ . 1 . 2]" 1 581 1 57 GLU H 1 58 GLU H 3.810 . 4.310 2.551 2.402 2.966 . 0 0 "[ . 1 . 2]" 1 582 1 57 GLU H 1 58 GLU HB2 5.450 . 5.950 4.680 4.360 5.070 . 0 0 "[ . 1 . 2]" 1 583 1 57 GLU H 1 59 ILE H 5.210 . 5.710 3.982 3.708 4.271 . 0 0 "[ . 1 . 2]" 1 584 1 57 GLU H 1 60 VAL H 5.500 . 6.000 4.663 4.553 4.776 . 0 0 "[ . 1 . 2]" 1 585 1 57 GLU H 1 60 VAL HB 5.500 . 6.000 5.679 5.578 6.499 0.499 18 0 "[ . 1 . 2]" 1 586 1 57 GLU H 1 60 VAL MG1 6.500 . 7.000 4.095 3.975 4.236 . 0 0 "[ . 1 . 2]" 1 587 1 57 GLU H 1 73 ILE MD 6.610 . 7.110 4.857 4.719 5.081 . 0 0 "[ . 1 . 2]" 1 588 1 57 GLU HA 1 57 GLU HG2 3.870 . 4.370 2.601 2.272 3.117 . 0 0 "[ . 1 . 2]" 1 589 1 57 GLU HA 1 57 GLU HG3 3.370 . 3.870 2.811 2.385 3.097 . 0 0 "[ . 1 . 2]" 1 590 1 57 GLU HA 1 59 ILE H 4.890 . 5.390 4.498 4.265 4.621 . 0 0 "[ . 1 . 2]" 1 591 1 57 GLU HA 1 60 VAL H 4.040 . 4.540 3.521 3.423 3.628 . 0 0 "[ . 1 . 2]" 1 592 1 57 GLU HA 1 60 VAL HB 3.770 . 4.270 3.876 3.793 4.253 . 0 0 "[ . 1 . 2]" 1 593 1 57 GLU HA 1 60 VAL MG1 4.600 . 5.100 2.030 1.891 3.185 . 0 0 "[ . 1 . 2]" 1 594 1 57 GLU HB3 1 57 GLU HG3 2.930 . 3.430 3.035 3.031 3.040 . 0 0 "[ . 1 . 2]" 1 595 1 57 GLU HB3 1 58 GLU H 4.180 . 4.680 3.659 3.001 4.155 . 0 0 "[ . 1 . 2]" 1 596 1 57 GLU HB3 1 60 VAL MG1 6.610 . 7.110 3.994 3.585 5.559 . 0 0 "[ . 1 . 2]" 1 597 1 57 GLU HG2 1 58 GLU H 4.960 . 5.460 4.731 4.193 5.082 . 0 0 "[ . 1 . 2]" 1 598 1 57 GLU HG2 1 60 VAL H 5.500 . 6.000 5.637 5.502 5.736 . 0 0 "[ . 1 . 2]" 1 599 1 57 GLU HG2 1 60 VAL MG1 6.550 . 7.050 3.696 3.354 5.551 . 0 0 "[ . 1 . 2]" 1 600 1 57 GLU O 1 61 GLN H 2.400 . 2.900 2.565 2.484 2.620 . 0 0 "[ . 1 . 2]" 1 601 1 57 GLU O 1 61 GLN N 3.400 . 3.900 3.484 3.414 3.542 . 0 0 "[ . 1 . 2]" 1 602 1 58 GLU H 1 58 GLU HB2 3.530 . 4.030 2.418 2.145 2.959 . 0 0 "[ . 1 . 2]" 1 603 1 58 GLU H 1 58 GLU HB3 3.570 . 4.070 3.266 2.334 3.656 . 0 0 "[ . 1 . 2]" 1 604 1 58 GLU H 1 58 GLU QG 3.790 . 4.290 3.236 2.512 3.954 . 0 0 "[ . 1 . 2]" 1 605 1 58 GLU H 1 59 ILE H 3.760 . 4.260 2.165 1.968 2.289 . 0 0 "[ . 1 . 2]" 1 606 1 58 GLU H 1 59 ILE HB 5.050 . 5.550 4.095 3.879 4.243 . 0 0 "[ . 1 . 2]" 1 607 1 58 GLU H 1 59 ILE MD 6.490 . 6.990 4.862 4.640 5.012 . 0 0 "[ . 1 . 2]" 1 608 1 58 GLU H 1 59 ILE HG12 5.500 . 6.000 5.651 5.567 5.738 . 0 0 "[ . 1 . 2]" 1 609 1 58 GLU H 1 59 ILE HG13 5.500 . 6.000 4.127 4.042 4.238 . 0 0 "[ . 1 . 2]" 1 610 1 58 GLU H 1 60 VAL H 4.850 . 5.350 3.607 3.437 3.755 . 0 0 "[ . 1 . 2]" 1 611 1 58 GLU HA 1 58 GLU QG 3.320 . 3.820 2.690 2.237 2.977 . 0 0 "[ . 1 . 2]" 1 612 1 58 GLU HA 1 108 ILE MD 6.610 . 7.110 4.134 3.100 4.766 . 0 0 "[ . 1 . 2]" 1 613 1 58 GLU HB2 1 59 ILE H 4.240 . 4.740 3.088 2.649 4.200 . 0 0 "[ . 1 . 2]" 1 614 1 58 GLU HB2 1 108 ILE MD 6.610 . 7.110 3.867 3.119 4.859 . 0 0 "[ . 1 . 2]" 1 615 1 58 GLU HB2 1 108 ILE MG 5.800 . 6.300 4.892 4.603 5.087 . 0 0 "[ . 1 . 2]" 1 616 1 58 GLU HB3 1 59 ILE H 4.230 . 4.730 3.444 2.728 3.914 . 0 0 "[ . 1 . 2]" 1 617 1 58 GLU HB3 1 59 ILE HA 5.500 . 6.000 4.471 4.273 4.843 . 0 0 "[ . 1 . 2]" 1 618 1 58 GLU HB3 1 60 VAL H 5.000 . 5.500 5.252 5.061 5.414 . 0 0 "[ . 1 . 2]" 1 619 1 58 GLU HB3 1 108 ILE MD 6.150 . 6.650 2.767 2.000 4.105 . 0 0 "[ . 1 . 2]" 1 620 1 58 GLU HB3 1 108 ILE MG 5.500 . 6.000 3.913 3.205 4.718 . 0 0 "[ . 1 . 2]" 1 621 1 58 GLU QG 1 59 ILE H 4.950 . 5.450 4.190 3.796 4.548 . 0 0 "[ . 1 . 2]" 1 622 1 58 GLU QG 1 60 VAL H 6.170 . 6.670 5.571 5.236 5.813 . 0 0 "[ . 1 . 2]" 1 623 1 58 GLU QG 1 108 ILE MD 7.000 . 7.500 3.294 2.012 4.173 . 0 0 "[ . 1 . 2]" 1 624 1 58 GLU QG 1 108 ILE HG12 6.170 . 6.670 4.689 3.096 5.684 . 0 0 "[ . 1 . 2]" 1 625 1 58 GLU QG 1 108 ILE MG 6.030 . 6.530 3.675 2.493 4.596 . 0 0 "[ . 1 . 2]" 1 626 1 58 GLU O 1 62 PHE H 2.400 . 2.900 2.060 1.871 2.475 . 0 0 "[ . 1 . 2]" 1 627 1 58 GLU O 1 62 PHE N 3.400 . 3.900 2.932 2.763 3.321 . 0 0 "[ . 1 . 2]" 1 628 1 59 ILE H 1 59 ILE HB 3.400 . 3.900 2.275 2.206 2.343 . 0 0 "[ . 1 . 2]" 1 629 1 59 ILE H 1 59 ILE MD 5.030 . 5.530 3.569 3.408 3.802 . 0 0 "[ . 1 . 2]" 1 630 1 59 ILE H 1 59 ILE HG12 3.980 . 4.480 3.651 3.519 3.882 . 0 0 "[ . 1 . 2]" 1 631 1 59 ILE H 1 59 ILE HG13 4.440 . 4.940 2.418 2.268 2.770 . 0 0 "[ . 1 . 2]" 1 632 1 59 ILE H 1 60 VAL H 3.670 . 4.170 2.578 2.148 2.685 . 0 0 "[ . 1 . 2]" 1 633 1 59 ILE H 1 60 VAL HB 4.860 . 5.360 4.941 4.857 5.678 0.318 18 0 "[ . 1 . 2]" 1 634 1 59 ILE H 1 60 VAL MG1 5.280 . 5.780 3.884 3.669 3.973 . 0 0 "[ . 1 . 2]" 1 635 1 59 ILE H 1 61 GLN H 4.250 . 4.750 4.202 3.885 4.316 . 0 0 "[ . 1 . 2]" 1 636 1 59 ILE H 1 62 PHE QB 6.170 . 6.670 4.619 4.510 4.752 . 0 0 "[ . 1 . 2]" 1 637 1 59 ILE H 1 73 ILE MD 5.660 . 6.160 4.324 3.828 4.628 . 0 0 "[ . 1 . 2]" 1 638 1 59 ILE H 1 108 ILE MD 6.610 . 7.110 4.481 3.950 4.848 . 0 0 "[ . 1 . 2]" 1 639 1 59 ILE HA 1 59 ILE HG12 4.060 . 4.560 2.411 2.337 2.472 . 0 0 "[ . 1 . 2]" 1 640 1 59 ILE HA 1 59 ILE HG13 4.000 . 4.500 2.821 2.721 2.907 . 0 0 "[ . 1 . 2]" 1 641 1 59 ILE HA 1 61 GLN H 4.760 . 5.260 4.620 4.420 4.692 . 0 0 "[ . 1 . 2]" 1 642 1 59 ILE HA 1 62 PHE H 3.950 . 4.450 3.496 3.257 3.635 . 0 0 "[ . 1 . 2]" 1 643 1 59 ILE HA 1 62 PHE QB 4.130 . 4.630 2.501 2.397 2.624 . 0 0 "[ . 1 . 2]" 1 644 1 59 ILE HA 1 62 PHE QD 5.160 . 5.660 3.629 3.155 4.102 . 0 0 "[ . 1 . 2]" 1 645 1 59 ILE HA 1 63 PHE QD 6.140 . 6.640 3.994 3.775 4.264 . 0 0 "[ . 1 . 2]" 1 646 1 59 ILE HA 1 108 ILE MD 5.320 . 5.820 3.423 3.116 3.749 . 0 0 "[ . 1 . 2]" 1 647 1 59 ILE HB 1 60 VAL MG1 5.790 . 6.290 4.235 3.356 4.334 . 0 0 "[ . 1 . 2]" 1 648 1 59 ILE HB 1 68 ILE MD 6.610 . 7.110 4.234 4.019 4.477 . 0 0 "[ . 1 . 2]" 1 649 1 59 ILE HB 1 73 ILE HB 5.500 . 6.000 5.368 5.175 5.568 . 0 0 "[ . 1 . 2]" 1 650 1 59 ILE HB 1 73 ILE MD 4.860 . 5.360 2.560 2.218 2.868 . 0 0 "[ . 1 . 2]" 1 651 1 59 ILE HB 1 73 ILE MG 5.070 . 5.570 3.136 2.984 3.275 . 0 0 "[ . 1 . 2]" 1 652 1 59 ILE MD 1 60 VAL H 5.880 . 6.380 4.762 4.596 4.932 . 0 0 "[ . 1 . 2]" 1 653 1 59 ILE MD 1 60 VAL MG1 7.930 . 8.430 5.562 4.792 5.668 . 0 0 "[ . 1 . 2]" 1 654 1 59 ILE MD 1 73 ILE HA 6.350 . 6.850 4.548 4.304 4.764 . 0 0 "[ . 1 . 2]" 1 655 1 59 ILE MD 1 73 ILE MD 6.620 . 7.120 3.033 2.766 3.363 . 0 0 "[ . 1 . 2]" 1 656 1 59 ILE MD 1 73 ILE MG 5.020 . 5.520 2.041 1.914 2.271 . 0 0 "[ . 1 . 2]" 1 657 1 59 ILE MD 1 75 LEU MD1 4.800 . 5.300 2.774 1.994 3.373 . 0 0 "[ . 1 . 2]" 1 658 1 59 ILE MD 1 89 VAL HA 6.000 . 6.500 5.017 4.769 5.112 . 0 0 "[ . 1 . 2]" 1 659 1 59 ILE MD 1 89 VAL MG1 6.760 . 7.260 4.280 3.967 4.465 . 0 0 "[ . 1 . 2]" 1 660 1 59 ILE HG12 1 60 VAL H 4.990 . 5.490 5.112 5.065 5.156 . 0 0 "[ . 1 . 2]" 1 661 1 59 ILE HG12 1 108 ILE MD 6.610 . 7.110 4.285 3.881 4.898 . 0 0 "[ . 1 . 2]" 1 662 1 59 ILE HG13 1 60 VAL H 5.300 . 5.800 4.530 4.468 4.631 . 0 0 "[ . 1 . 2]" 1 663 1 59 ILE HG13 1 62 PHE QB 6.170 . 6.670 4.928 4.790 5.099 . 0 0 "[ . 1 . 2]" 1 664 1 59 ILE HG13 1 73 ILE MD 6.610 . 7.110 4.588 4.239 4.949 . 0 0 "[ . 1 . 2]" 1 665 1 59 ILE HG13 1 108 ILE MD 6.610 . 7.110 4.345 3.824 4.832 . 0 0 "[ . 1 . 2]" 1 666 1 59 ILE MG 1 61 GLN H 6.610 . 7.110 5.020 4.896 5.110 . 0 0 "[ . 1 . 2]" 1 667 1 59 ILE MG 1 62 PHE QB 6.620 . 7.120 3.743 3.566 3.917 . 0 0 "[ . 1 . 2]" 1 668 1 59 ILE MG 1 62 PHE QD 7.410 . 7.910 3.852 3.631 3.993 . 0 0 "[ . 1 . 2]" 1 669 1 59 ILE MG 1 63 PHE H 5.800 . 6.300 4.402 4.287 4.474 . 0 0 "[ . 1 . 2]" 1 670 1 59 ILE MG 1 63 PHE HB3 5.910 . 6.410 4.904 4.693 4.983 . 0 0 "[ . 1 . 2]" 1 671 1 59 ILE MG 1 63 PHE QD 4.800 . 5.300 2.187 2.119 2.293 . 0 0 "[ . 1 . 2]" 1 672 1 59 ILE MG 1 63 PHE QE 5.270 . 5.770 2.220 2.040 2.367 . 0 0 "[ . 1 . 2]" 1 673 1 59 ILE MG 1 68 ILE MD 5.030 . 5.530 2.579 2.326 2.777 . 0 0 "[ . 1 . 2]" 1 674 1 59 ILE MG 1 89 VAL MG1 4.570 . 5.070 3.031 2.838 3.193 . 0 0 "[ . 1 . 2]" 1 675 1 59 ILE MG 1 89 VAL MG2 5.810 . 6.310 2.089 2.003 2.213 . 0 0 "[ . 1 . 2]" 1 676 1 59 ILE O 1 63 PHE H 2.400 . 2.900 2.408 2.268 2.473 . 0 0 "[ . 1 . 2]" 1 677 1 59 ILE O 1 63 PHE N 3.400 . 3.900 3.107 3.020 3.200 . 0 0 "[ . 1 . 2]" 1 678 1 60 VAL H 1 60 VAL HB 3.250 . 3.750 2.624 2.451 3.581 . 0 0 "[ . 1 . 2]" 1 679 1 60 VAL H 1 60 VAL MG1 4.060 . 4.560 2.010 1.916 2.368 . 0 0 "[ . 1 . 2]" 1 680 1 60 VAL H 1 61 GLN H 3.350 . 3.850 2.502 2.419 2.664 . 0 0 "[ . 1 . 2]" 1 681 1 60 VAL H 1 61 GLN QG 5.480 . 5.980 4.331 4.203 4.618 . 0 0 "[ . 1 . 2]" 1 682 1 60 VAL H 1 62 PHE QB 6.120 . 6.620 4.592 4.485 4.844 . 0 0 "[ . 1 . 2]" 1 683 1 60 VAL H 1 68 ILE MD 5.850 . 6.350 3.992 3.803 4.231 . 0 0 "[ . 1 . 2]" 1 684 1 60 VAL HA 1 61 GLN QG 6.170 . 6.670 5.208 4.918 5.300 . 0 0 "[ . 1 . 2]" 1 685 1 60 VAL HA 1 63 PHE H 4.310 . 4.810 3.168 3.050 3.308 . 0 0 "[ . 1 . 2]" 1 686 1 60 VAL HA 1 63 PHE HB3 4.930 . 5.430 4.375 4.041 4.755 . 0 0 "[ . 1 . 2]" 1 687 1 60 VAL HA 1 68 ILE MD 4.350 . 4.850 2.048 1.935 2.234 . 0 0 "[ . 1 . 2]" 1 688 1 60 VAL HA 1 68 ILE HG13 5.500 . 6.000 4.009 3.765 4.323 . 0 0 "[ . 1 . 2]" 1 689 1 60 VAL HA 1 73 ILE MD 5.660 . 6.160 3.935 3.715 4.172 . 0 0 "[ . 1 . 2]" 1 690 1 60 VAL HB 1 61 GLN H 3.690 . 4.190 3.975 3.798 4.018 . 0 0 "[ . 1 . 2]" 1 691 1 60 VAL HB 1 61 GLN HA 5.500 . 6.000 5.682 4.627 5.764 . 0 0 "[ . 1 . 2]" 1 692 1 60 VAL HB 1 68 ILE MD 6.610 . 7.110 2.632 2.474 3.578 . 0 0 "[ . 1 . 2]" 1 693 1 60 VAL MG1 1 61 GLN H 4.950 . 5.450 2.310 2.129 4.040 . 0 0 "[ . 1 . 2]" 1 694 1 60 VAL MG1 1 61 GLN QG 7.040 . 7.540 2.467 2.091 4.931 . 0 0 "[ . 1 . 2]" 1 695 1 60 VAL MG1 1 68 ILE MD 5.240 . 5.740 3.709 2.116 3.859 . 0 0 "[ . 1 . 2]" 1 696 1 60 VAL MG1 1 73 ILE MD 5.480 . 5.980 3.787 2.266 3.951 . 0 0 "[ . 1 . 2]" 1 697 1 60 VAL MG2 1 61 GLN H 4.610 . 5.110 3.698 2.131 3.834 . 0 0 "[ . 1 . 2]" 1 698 1 60 VAL MG2 1 61 GLN HA 5.020 . 5.520 3.859 3.489 3.962 . 0 0 "[ . 1 . 2]" 1 699 1 60 VAL MG2 1 61 GLN HE21 6.610 . 7.110 3.536 3.193 4.273 . 0 0 "[ . 1 . 2]" 1 700 1 60 VAL MG2 1 61 GLN HE22 6.610 . 7.110 4.323 3.796 5.689 . 0 0 "[ . 1 . 2]" 1 701 1 60 VAL MG2 1 61 GLN QG 5.680 . 6.180 3.929 2.336 4.226 . 0 0 "[ . 1 . 2]" 1 702 1 60 VAL MG2 1 64 SER H 6.610 . 7.110 5.113 4.934 5.596 . 0 0 "[ . 1 . 2]" 1 703 1 60 VAL MG2 1 64 SER HA 6.320 . 6.820 4.071 3.625 5.348 . 0 0 "[ . 1 . 2]" 1 704 1 60 VAL MG2 1 64 SER HB2 6.610 . 7.110 4.768 4.543 5.169 . 0 0 "[ . 1 . 2]" 1 705 1 61 GLN H 1 61 GLN QB 3.370 . 3.870 2.371 2.277 2.420 . 0 0 "[ . 1 . 2]" 1 706 1 61 GLN H 1 61 GLN HE21 4.770 . 5.270 3.750 3.442 4.066 . 0 0 "[ . 1 . 2]" 1 707 1 61 GLN H 1 61 GLN QG 3.680 . 4.180 2.368 2.302 2.550 . 0 0 "[ . 1 . 2]" 1 708 1 61 GLN H 1 62 PHE H 3.950 . 4.450 2.549 2.421 2.618 . 0 0 "[ . 1 . 2]" 1 709 1 61 GLN H 1 62 PHE HA 5.200 . 5.700 5.211 5.106 5.260 . 0 0 "[ . 1 . 2]" 1 710 1 61 GLN H 1 62 PHE QB 5.250 . 5.750 4.294 4.170 4.368 . 0 0 "[ . 1 . 2]" 1 711 1 61 GLN H 1 63 PHE H 5.480 . 5.980 3.884 3.788 4.015 . 0 0 "[ . 1 . 2]" 1 712 1 61 GLN HA 1 61 GLN QG 3.640 . 4.140 2.702 2.219 2.890 . 0 0 "[ . 1 . 2]" 1 713 1 61 GLN HA 1 63 PHE H 5.450 . 5.950 3.783 3.572 4.004 . 0 0 "[ . 1 . 2]" 1 714 1 61 GLN HA 1 64 SER H 4.210 . 4.710 3.357 3.141 3.536 . 0 0 "[ . 1 . 2]" 1 715 1 61 GLN QB 1 62 PHE H 3.970 . 4.470 2.913 2.783 3.030 . 0 0 "[ . 1 . 2]" 1 716 1 61 GLN QB 1 62 PHE HA 4.760 . 5.260 4.124 3.951 4.251 . 0 0 "[ . 1 . 2]" 1 717 1 61 GLN QB 1 62 PHE QB 5.850 . 6.350 4.172 3.966 4.364 . 0 0 "[ . 1 . 2]" 1 718 1 61 GLN QB 1 63 PHE H 5.430 . 5.930 4.581 4.416 4.657 . 0 0 "[ . 1 . 2]" 1 719 1 61 GLN QB 1 64 SER H 5.770 . 6.270 4.640 4.426 4.868 . 0 0 "[ . 1 . 2]" 1 720 1 61 GLN QB 1 64 SER HB2 5.030 . 5.530 3.722 3.561 3.974 . 0 0 "[ . 1 . 2]" 1 721 1 61 GLN QB 1 64 SER HB3 5.510 . 6.010 4.765 4.578 5.012 . 0 0 "[ . 1 . 2]" 1 722 1 61 GLN QB 1 108 ILE MD 7.330 . 7.830 4.869 3.615 5.437 . 0 0 "[ . 1 . 2]" 1 723 1 61 GLN QG 1 62 PHE H 4.670 . 5.170 4.267 4.229 4.333 . 0 0 "[ . 1 . 2]" 1 724 1 61 GLN QG 1 64 SER HB2 4.940 . 5.440 4.363 3.737 4.621 . 0 0 "[ . 1 . 2]" 1 725 1 62 PHE H 1 62 PHE QB 3.570 . 4.070 2.219 2.184 2.248 . 0 0 "[ . 1 . 2]" 1 726 1 62 PHE H 1 62 PHE QD 4.710 . 5.210 4.184 4.162 4.195 . 0 0 "[ . 1 . 2]" 1 727 1 62 PHE H 1 63 PHE H 3.620 . 4.120 2.517 2.416 2.576 . 0 0 "[ . 1 . 2]" 1 728 1 62 PHE H 1 64 SER H 5.010 . 5.510 4.175 4.039 4.313 . 0 0 "[ . 1 . 2]" 1 729 1 62 PHE H 1 64 SER HB2 5.430 . 5.930 5.009 4.788 5.396 . 0 0 "[ . 1 . 2]" 1 730 1 62 PHE H 1 108 ILE MD 5.870 . 6.370 4.103 3.343 4.684 . 0 0 "[ . 1 . 2]" 1 731 1 62 PHE H 1 108 ILE HG13 5.500 . 6.000 5.068 4.134 5.611 . 0 0 "[ . 1 . 2]" 1 732 1 62 PHE HA 1 62 PHE QD 4.100 . 4.600 2.346 2.086 2.768 . 0 0 "[ . 1 . 2]" 1 733 1 62 PHE HA 1 62 PHE QE 4.970 . 5.470 4.478 4.376 4.584 . 0 0 "[ . 1 . 2]" 1 734 1 62 PHE HA 1 103 LYS HE3 4.910 . 5.410 4.883 4.731 5.016 . 0 0 "[ . 1 . 2]" 1 735 1 62 PHE HA 1 108 ILE MD 6.050 . 6.550 4.384 3.678 4.931 . 0 0 "[ . 1 . 2]" 1 736 1 62 PHE HA 1 108 ILE HG12 4.810 . 5.310 3.909 3.428 4.676 . 0 0 "[ . 1 . 2]" 1 737 1 62 PHE HA 1 108 ILE HG13 5.500 . 6.000 3.941 2.963 4.664 . 0 0 "[ . 1 . 2]" 1 738 1 62 PHE QB 1 108 ILE HA 5.740 . 6.240 4.052 3.598 4.482 . 0 0 "[ . 1 . 2]" 1 739 1 62 PHE QB 1 108 ILE HB 6.170 . 6.670 4.584 3.632 5.107 . 0 0 "[ . 1 . 2]" 1 740 1 62 PHE QB 1 108 ILE MD 5.610 . 6.110 2.355 2.059 2.818 . 0 0 "[ . 1 . 2]" 1 741 1 62 PHE QB 1 108 ILE HG12 6.170 . 6.670 2.645 2.183 3.868 . 0 0 "[ . 1 . 2]" 1 742 1 62 PHE QB 1 108 ILE HG13 5.940 . 6.440 2.642 2.065 3.129 . 0 0 "[ . 1 . 2]" 1 743 1 62 PHE QB 1 108 ILE MG 7.410 . 7.910 4.194 3.859 4.594 . 0 0 "[ . 1 . 2]" 1 744 1 62 PHE QD 1 63 PHE H 5.280 . 5.780 4.211 3.834 4.492 . 0 0 "[ . 1 . 2]" 1 745 1 62 PHE QD 1 63 PHE QD 5.430 . 5.930 3.573 3.192 3.931 . 0 0 "[ . 1 . 2]" 1 746 1 62 PHE QD 1 63 PHE QE 5.660 . 6.160 3.118 2.865 3.435 . 0 0 "[ . 1 . 2]" 1 747 1 62 PHE QD 1 103 LYS HE3 6.170 . 6.670 4.437 4.135 4.667 . 0 0 "[ . 1 . 2]" 1 748 1 62 PHE QD 1 106 GLU QB 6.310 . 6.810 4.443 3.878 4.979 . 0 0 "[ . 1 . 2]" 1 749 1 62 PHE QD 1 108 ILE HA 5.410 . 5.910 3.014 2.387 3.652 . 0 0 "[ . 1 . 2]" 1 750 1 62 PHE QD 1 108 ILE HB 6.170 . 6.670 4.386 2.502 5.193 . 0 0 "[ . 1 . 2]" 1 751 1 62 PHE QD 1 108 ILE MD 6.070 . 6.570 3.373 2.991 3.835 . 0 0 "[ . 1 . 2]" 1 752 1 62 PHE QD 1 108 ILE HG12 4.870 . 5.370 3.353 2.482 3.983 . 0 0 "[ . 1 . 2]" 1 753 1 62 PHE QD 1 108 ILE HG13 5.560 . 6.060 2.602 2.076 3.190 . 0 0 "[ . 1 . 2]" 1 754 1 62 PHE QD 1 108 ILE MG 7.090 . 7.590 4.656 4.049 5.122 . 0 0 "[ . 1 . 2]" 1 755 1 62 PHE QD 1 113 ILE HB 5.890 . 6.390 4.318 4.054 4.691 . 0 0 "[ . 1 . 2]" 1 756 1 62 PHE QD 1 113 ILE MD 7.410 . 7.910 4.643 4.259 4.848 . 0 0 "[ . 1 . 2]" 1 757 1 62 PHE QD 1 113 ILE HG13 6.170 . 6.670 3.666 3.052 4.062 . 0 0 "[ . 1 . 2]" 1 758 1 62 PHE QD 1 113 ILE MG 7.410 . 7.910 3.311 2.951 3.669 . 0 0 "[ . 1 . 2]" 1 759 1 62 PHE QD 1 115 VAL MG1 7.210 . 7.710 4.248 4.046 4.432 . 0 0 "[ . 1 . 2]" 1 760 1 62 PHE QE 1 63 PHE QD 6.040 . 6.540 4.355 3.941 4.806 . 0 0 "[ . 1 . 2]" 1 761 1 62 PHE QE 1 63 PHE QE 5.530 . 6.030 2.918 2.379 3.453 . 0 0 "[ . 1 . 2]" 1 762 1 62 PHE QE 1 103 LYS H 6.170 . 6.670 5.450 5.111 5.644 . 0 0 "[ . 1 . 2]" 1 763 1 62 PHE QE 1 103 LYS HA 5.870 . 6.370 4.457 3.864 4.979 . 0 0 "[ . 1 . 2]" 1 764 1 62 PHE QE 1 103 LYS HB2 5.510 . 6.010 3.393 2.887 3.867 . 0 0 "[ . 1 . 2]" 1 765 1 62 PHE QE 1 103 LYS HB3 5.440 . 5.940 2.746 2.201 3.169 . 0 0 "[ . 1 . 2]" 1 766 1 62 PHE QE 1 103 LYS HD3 6.170 . 6.670 4.291 3.734 4.781 . 0 0 "[ . 1 . 2]" 1 767 1 62 PHE QE 1 103 LYS HE2 5.930 . 6.430 5.448 4.659 5.554 . 0 0 "[ . 1 . 2]" 1 768 1 62 PHE QE 1 103 LYS HE3 6.030 . 6.530 4.538 3.655 4.738 . 0 0 "[ . 1 . 2]" 1 769 1 62 PHE QE 1 103 LYS HG2 6.110 . 6.610 4.912 4.464 5.181 . 0 0 "[ . 1 . 2]" 1 770 1 62 PHE QE 1 103 LYS HG3 6.170 . 6.670 3.810 2.954 4.865 . 0 0 "[ . 1 . 2]" 1 771 1 62 PHE QE 1 106 GLU H 6.030 . 6.530 4.362 3.878 4.701 . 0 0 "[ . 1 . 2]" 1 772 1 62 PHE QE 1 106 GLU HA 5.600 . 6.100 4.531 4.238 4.838 . 0 0 "[ . 1 . 2]" 1 773 1 62 PHE QE 1 106 GLU QB 4.600 . 5.100 2.497 2.054 3.081 . 0 0 "[ . 1 . 2]" 1 774 1 62 PHE QE 1 106 GLU HG2 5.420 . 5.920 3.945 2.778 4.951 . 0 0 "[ . 1 . 2]" 1 775 1 62 PHE QE 1 106 GLU HG3 5.500 . 6.000 3.182 2.102 4.632 . 0 0 "[ . 1 . 2]" 1 776 1 62 PHE QE 1 107 ARG H 5.710 . 6.210 3.061 2.627 3.664 . 0 0 "[ . 1 . 2]" 1 777 1 62 PHE QE 1 108 ILE HA 5.940 . 6.440 4.194 3.666 4.693 . 0 0 "[ . 1 . 2]" 1 778 1 62 PHE QE 1 108 ILE MD 7.020 . 7.520 4.466 4.122 4.855 . 0 0 "[ . 1 . 2]" 1 779 1 62 PHE QE 1 108 ILE HG12 6.170 . 6.670 5.099 4.512 5.707 . 0 0 "[ . 1 . 2]" 1 780 1 62 PHE QE 1 108 ILE HG13 6.170 . 6.670 3.857 3.330 4.289 . 0 0 "[ . 1 . 2]" 1 781 1 62 PHE QE 1 113 ILE HB 4.970 . 5.470 2.952 2.511 3.354 . 0 0 "[ . 1 . 2]" 1 782 1 62 PHE QE 1 113 ILE MD 7.410 . 7.910 4.526 4.164 4.717 . 0 0 "[ . 1 . 2]" 1 783 1 62 PHE QE 1 113 ILE MG 6.210 . 6.710 2.755 2.192 3.288 . 0 0 "[ . 1 . 2]" 1 784 1 62 PHE QE 1 115 VAL MG1 5.610 . 6.110 2.652 2.397 2.861 . 0 0 "[ . 1 . 2]" 1 785 1 62 PHE HZ 1 103 LYS HB2 5.500 . 6.000 3.679 3.126 4.032 . 0 0 "[ . 1 . 2]" 1 786 1 62 PHE HZ 1 106 GLU H 4.830 . 5.330 3.410 3.209 3.648 . 0 0 "[ . 1 . 2]" 1 787 1 62 PHE HZ 1 106 GLU HA 5.500 . 6.000 4.924 4.467 5.472 . 0 0 "[ . 1 . 2]" 1 788 1 62 PHE HZ 1 106 GLU QB 4.320 . 4.820 2.279 2.036 2.756 . 0 0 "[ . 1 . 2]" 1 789 1 62 PHE HZ 1 106 GLU HG2 5.030 . 5.530 4.270 3.889 4.458 . 0 0 "[ . 1 . 2]" 1 790 1 62 PHE HZ 1 106 GLU HG3 4.910 . 5.410 4.134 3.452 5.030 . 0 0 "[ . 1 . 2]" 1 791 1 62 PHE HZ 1 113 ILE HB 3.500 . 4.000 2.512 2.355 2.732 . 0 0 "[ . 1 . 2]" 1 792 1 62 PHE HZ 1 113 ILE MG 5.820 . 6.320 3.508 3.266 4.026 . 0 0 "[ . 1 . 2]" 1 793 1 62 PHE HZ 1 115 VAL MG1 6.170 . 6.670 3.490 3.073 4.021 . 0 0 "[ . 1 . 2]" 1 794 1 63 PHE H 1 63 PHE HB2 3.800 . 4.300 2.458 2.365 2.514 . 0 0 "[ . 1 . 2]" 1 795 1 63 PHE H 1 63 PHE HB3 3.430 . 3.930 3.644 3.587 3.677 . 0 0 "[ . 1 . 2]" 1 796 1 63 PHE H 1 64 SER H 3.750 . 4.250 2.660 2.499 2.818 . 0 0 "[ . 1 . 2]" 1 797 1 63 PHE H 1 64 SER HA 4.510 . 5.010 4.450 4.220 4.672 . 0 0 "[ . 1 . 2]" 1 798 1 63 PHE H 1 64 SER HB2 5.500 . 6.000 4.383 4.173 4.723 . 0 0 "[ . 1 . 2]" 1 799 1 63 PHE H 1 66 LEU HB2 5.500 . 6.000 5.204 4.920 5.342 . 0 0 "[ . 1 . 2]" 1 800 1 63 PHE H 1 66 LEU MD1 6.330 . 6.830 4.717 4.455 4.914 . 0 0 "[ . 1 . 2]" 1 801 1 63 PHE H 1 68 ILE MD 5.730 . 6.230 4.215 4.039 4.352 . 0 0 "[ . 1 . 2]" 1 802 1 63 PHE H 1 91 PHE QE 5.800 . 6.300 5.342 5.237 5.447 . 0 0 "[ . 1 . 2]" 1 803 1 63 PHE HA 1 63 PHE QD 4.100 . 4.600 2.151 2.034 2.262 . 0 0 "[ . 1 . 2]" 1 804 1 63 PHE HA 1 63 PHE QE 5.070 . 5.570 4.382 4.305 4.435 . 0 0 "[ . 1 . 2]" 1 805 1 63 PHE HA 1 64 SER HA 4.900 . 5.400 4.743 4.645 4.794 . 0 0 "[ . 1 . 2]" 1 806 1 63 PHE HA 1 66 LEU HB2 5.040 . 5.540 3.381 2.751 3.837 . 0 0 "[ . 1 . 2]" 1 807 1 63 PHE HA 1 66 LEU MD1 4.790 . 5.290 2.305 2.132 2.694 . 0 0 "[ . 1 . 2]" 1 808 1 63 PHE HA 1 66 LEU MD2 6.500 . 7.000 4.842 4.660 5.061 . 0 0 "[ . 1 . 2]" 1 809 1 63 PHE HA 1 91 PHE QE 5.850 . 6.350 4.761 4.455 4.908 . 0 0 "[ . 1 . 2]" 1 810 1 63 PHE HA 1 100 ALA HA 5.070 . 5.570 5.215 5.053 5.312 . 0 0 "[ . 1 . 2]" 1 811 1 63 PHE HA 1 100 ALA MB 6.110 . 6.610 4.859 4.590 5.050 . 0 0 "[ . 1 . 2]" 1 812 1 63 PHE HA 1 103 LYS HD2 4.960 . 5.460 4.499 3.369 4.959 . 0 0 "[ . 1 . 2]" 1 813 1 63 PHE HA 1 103 LYS HE2 4.520 . 5.020 3.740 3.013 4.220 . 0 0 "[ . 1 . 2]" 1 814 1 63 PHE HA 1 103 LYS HE3 4.750 . 5.250 2.495 1.842 4.517 . 0 0 "[ . 1 . 2]" 1 815 1 63 PHE HA 1 103 LYS HG2 5.500 . 6.000 5.120 4.739 5.675 . 0 0 "[ . 1 . 2]" 1 816 1 63 PHE HA 1 103 LYS HG3 5.280 . 5.780 3.991 3.657 5.343 . 0 0 "[ . 1 . 2]" 1 817 1 63 PHE HB2 1 66 LEU HB2 4.710 . 5.210 3.693 3.592 3.964 . 0 0 "[ . 1 . 2]" 1 818 1 63 PHE HB2 1 66 LEU HB3 4.830 . 5.330 4.986 4.703 5.070 . 0 0 "[ . 1 . 2]" 1 819 1 63 PHE HB2 1 66 LEU MD1 5.150 . 5.650 3.770 3.440 4.399 . 0 0 "[ . 1 . 2]" 1 820 1 63 PHE HB2 1 91 PHE QE 5.510 . 6.010 3.003 2.875 3.222 . 0 0 "[ . 1 . 2]" 1 821 1 63 PHE HB3 1 64 SER H 4.580 . 5.080 4.520 4.508 4.536 . 0 0 "[ . 1 . 2]" 1 822 1 63 PHE HB3 1 64 SER HA 5.080 . 5.580 5.101 5.056 5.144 . 0 0 "[ . 1 . 2]" 1 823 1 63 PHE HB3 1 66 LEU H 5.210 . 5.710 4.287 4.092 4.730 . 0 0 "[ . 1 . 2]" 1 824 1 63 PHE HB3 1 66 LEU HB2 4.870 . 5.370 2.213 2.085 2.488 . 0 0 "[ . 1 . 2]" 1 825 1 63 PHE HB3 1 66 LEU HB3 5.500 . 6.000 3.390 2.973 3.543 . 0 0 "[ . 1 . 2]" 1 826 1 63 PHE HB3 1 66 LEU MD1 5.140 . 5.640 2.361 2.035 3.180 . 0 0 "[ . 1 . 2]" 1 827 1 63 PHE HB3 1 68 ILE MD 5.370 . 5.870 3.620 3.322 3.773 . 0 0 "[ . 1 . 2]" 1 828 1 63 PHE HB3 1 91 PHE QE 5.250 . 5.750 2.455 2.138 2.645 . 0 0 "[ . 1 . 2]" 1 829 1 63 PHE HB3 1 100 ALA MB 6.520 . 7.020 4.031 3.823 4.329 . 0 0 "[ . 1 . 2]" 1 830 1 63 PHE QD 1 66 LEU HB2 5.900 . 6.400 3.958 3.358 4.201 . 0 0 "[ . 1 . 2]" 1 831 1 63 PHE QD 1 66 LEU MD1 5.190 . 5.690 2.091 1.926 2.252 . 0 0 "[ . 1 . 2]" 1 832 1 63 PHE QD 1 66 LEU MD2 7.060 . 7.560 4.522 4.422 4.657 . 0 0 "[ . 1 . 2]" 1 833 1 63 PHE QD 1 66 LEU HG 6.170 . 6.670 4.350 3.887 4.775 . 0 0 "[ . 1 . 2]" 1 834 1 63 PHE QD 1 68 ILE MD 5.880 . 6.380 2.831 2.518 3.087 . 0 0 "[ . 1 . 2]" 1 835 1 63 PHE QD 1 89 VAL HB 6.170 . 6.670 5.503 5.272 5.584 . 0 0 "[ . 1 . 2]" 1 836 1 63 PHE QD 1 89 VAL MG1 5.920 . 6.420 3.794 3.483 3.961 . 0 0 "[ . 1 . 2]" 1 837 1 63 PHE QD 1 89 VAL MG2 6.400 . 6.900 3.788 3.478 3.964 . 0 0 "[ . 1 . 2]" 1 838 1 63 PHE QD 1 91 PHE QE 5.180 . 5.680 3.019 2.628 3.230 . 0 0 "[ . 1 . 2]" 1 839 1 63 PHE QD 1 100 ALA HA 4.490 . 4.990 3.562 3.130 4.043 . 0 0 "[ . 1 . 2]" 1 840 1 63 PHE QD 1 100 ALA MB 4.970 . 5.470 3.250 2.942 3.690 . 0 0 "[ . 1 . 2]" 1 841 1 63 PHE QD 1 103 LYS HB2 5.530 . 6.030 4.268 4.085 4.565 . 0 0 "[ . 1 . 2]" 1 842 1 63 PHE QD 1 103 LYS HB3 5.370 . 5.870 4.387 3.925 4.801 . 0 0 "[ . 1 . 2]" 1 843 1 63 PHE QD 1 103 LYS HD2 5.380 . 5.880 3.799 2.432 4.171 . 0 0 "[ . 1 . 2]" 1 844 1 63 PHE QD 1 103 LYS HD3 6.050 . 6.550 4.590 2.134 5.016 . 0 0 "[ . 1 . 2]" 1 845 1 63 PHE QD 1 103 LYS HE2 5.520 . 6.020 3.579 3.234 3.987 . 0 0 "[ . 1 . 2]" 1 846 1 63 PHE QD 1 103 LYS HE3 5.900 . 6.400 2.457 2.098 4.363 . 0 0 "[ . 1 . 2]" 1 847 1 63 PHE QD 1 103 LYS HG2 5.210 . 5.710 3.722 3.426 4.606 . 0 0 "[ . 1 . 2]" 1 848 1 63 PHE QD 1 103 LYS HG3 5.080 . 5.580 2.329 2.067 3.662 . 0 0 "[ . 1 . 2]" 1 849 1 63 PHE QD 1 113 ILE MG 7.410 . 7.910 5.746 5.610 5.848 . 0 0 "[ . 1 . 2]" 1 850 1 63 PHE QD 1 115 VAL MG1 6.050 . 6.550 4.491 4.358 4.565 . 0 0 "[ . 1 . 2]" 1 851 1 63 PHE QE 1 66 LEU MD1 6.190 . 6.690 3.614 3.477 3.760 . 0 0 "[ . 1 . 2]" 1 852 1 63 PHE QE 1 66 LEU MD2 7.410 . 7.910 5.644 5.528 5.702 . 0 0 "[ . 1 . 2]" 1 853 1 63 PHE QE 1 89 VAL HB 6.070 . 6.570 4.592 4.197 4.779 . 0 0 "[ . 1 . 2]" 1 854 1 63 PHE QE 1 89 VAL MG1 5.630 . 6.130 3.996 3.514 4.213 . 0 0 "[ . 1 . 2]" 1 855 1 63 PHE QE 1 89 VAL MG2 6.630 . 7.130 3.063 2.545 3.314 . 0 0 "[ . 1 . 2]" 1 856 1 63 PHE QE 1 100 ALA HA 4.550 . 5.050 3.651 3.009 4.121 . 0 0 "[ . 1 . 2]" 1 857 1 63 PHE QE 1 100 ALA MB 5.040 . 5.540 2.782 2.395 3.242 . 0 0 "[ . 1 . 2]" 1 858 1 63 PHE QE 1 103 LYS HA 6.110 . 6.610 4.994 4.802 5.313 . 0 0 "[ . 1 . 2]" 1 859 1 63 PHE QE 1 103 LYS HB2 5.150 . 5.650 2.448 2.125 2.855 . 0 0 "[ . 1 . 2]" 1 860 1 63 PHE QE 1 103 LYS HB3 5.600 . 6.100 3.066 2.692 3.737 . 0 0 "[ . 1 . 2]" 1 861 1 63 PHE QE 1 103 LYS HD2 4.070 . 4.570 3.829 3.361 4.007 . 0 0 "[ . 1 . 2]" 1 862 1 63 PHE QE 1 103 LYS HD3 6.170 . 6.670 4.657 2.331 4.875 . 0 0 "[ . 1 . 2]" 1 863 1 63 PHE QE 1 103 LYS HE2 6.170 . 6.670 4.761 4.509 4.952 . 0 0 "[ . 1 . 2]" 1 864 1 63 PHE QE 1 103 LYS HE3 6.170 . 6.670 3.891 3.693 4.585 . 0 0 "[ . 1 . 2]" 1 865 1 63 PHE QE 1 103 LYS HG2 5.470 . 5.970 3.449 3.276 4.288 . 0 0 "[ . 1 . 2]" 1 866 1 63 PHE QE 1 103 LYS HG3 5.290 . 5.790 1.994 1.887 2.878 . 0 0 "[ . 1 . 2]" 1 867 1 63 PHE QE 1 113 ILE MG 7.410 . 7.910 4.476 4.287 4.600 . 0 0 "[ . 1 . 2]" 1 868 1 63 PHE QE 1 115 VAL MG1 6.090 . 6.590 2.558 2.366 2.646 . 0 0 "[ . 1 . 2]" 1 869 1 63 PHE QE 1 115 VAL MG2 6.130 . 6.630 4.535 4.294 4.671 . 0 0 "[ . 1 . 2]" 1 870 1 64 SER H 1 64 SER HB2 3.020 . 3.520 2.503 2.412 2.580 . 0 0 "[ . 1 . 2]" 1 871 1 64 SER H 1 64 SER HB3 3.340 . 3.840 2.495 2.451 2.547 . 0 0 "[ . 1 . 2]" 1 872 1 64 SER H 1 65 GLY H 5.090 . 5.590 3.494 2.647 4.703 . 0 0 "[ . 1 . 2]" 1 873 1 64 SER H 1 66 LEU H 5.500 . 6.000 4.449 4.241 4.785 . 0 0 "[ . 1 . 2]" 1 874 1 64 SER H 1 66 LEU MD1 6.610 . 7.110 4.656 4.321 5.112 . 0 0 "[ . 1 . 2]" 1 875 1 64 SER HA 1 65 GLY HA3 5.300 . 5.800 5.001 4.530 5.317 . 0 0 "[ . 1 . 2]" 1 876 1 64 SER HA 1 66 LEU H 4.140 . 4.640 3.157 2.836 3.395 . 0 0 "[ . 1 . 2]" 1 877 1 64 SER HB2 1 65 GLY H 4.320 . 4.820 4.191 3.979 4.337 . 0 0 "[ . 1 . 2]" 1 878 1 64 SER HB3 1 65 GLY H 4.530 . 5.030 3.540 3.180 4.070 . 0 0 "[ . 1 . 2]" 1 879 1 64 SER HB3 1 66 LEU H 4.940 . 5.440 5.011 4.885 5.178 . 0 0 "[ . 1 . 2]" 1 880 1 65 GLY H 1 66 LEU H 4.470 . 4.970 2.548 2.363 2.698 . 0 0 "[ . 1 . 2]" 1 881 1 65 GLY HA2 1 66 LEU MD2 6.610 . 7.110 4.984 4.717 5.229 . 0 0 "[ . 1 . 2]" 1 882 1 65 GLY HA2 1 66 LEU HG 4.220 . 4.720 4.392 4.282 4.469 . 0 0 "[ . 1 . 2]" 1 883 1 65 GLY HA3 1 66 LEU HG 5.500 . 6.000 3.405 3.339 3.510 . 0 0 "[ . 1 . 2]" 1 884 1 66 LEU H 1 66 LEU HB2 3.810 . 4.310 2.695 2.647 2.723 . 0 0 "[ . 1 . 2]" 1 885 1 66 LEU H 1 66 LEU MD1 5.040 . 5.540 3.954 3.858 4.047 . 0 0 "[ . 1 . 2]" 1 886 1 66 LEU H 1 66 LEU MD2 5.210 . 5.710 4.049 3.861 4.198 . 0 0 "[ . 1 . 2]" 1 887 1 66 LEU H 1 66 LEU HG 3.800 . 4.300 3.063 2.908 3.179 . 0 0 "[ . 1 . 2]" 1 888 1 66 LEU H 1 67 GLU H 4.100 . 4.600 4.123 3.274 4.328 . 0 0 "[ . 1 . 2]" 1 889 1 66 LEU H 1 96 LEU MD2 6.030 . 6.530 5.075 4.704 5.304 . 0 0 "[ . 1 . 2]" 1 890 1 66 LEU HA 1 66 LEU MD2 4.240 . 4.740 2.222 2.123 2.322 . 0 0 "[ . 1 . 2]" 1 891 1 66 LEU HA 1 67 GLU H 3.240 . 3.740 2.786 2.340 3.026 . 0 0 "[ . 1 . 2]" 1 892 1 66 LEU HA 1 67 GLU QB 5.030 . 5.530 4.060 3.862 4.403 . 0 0 "[ . 1 . 2]" 1 893 1 66 LEU HA 1 96 LEU MD1 6.260 . 6.760 3.287 2.391 3.723 . 0 0 "[ . 1 . 2]" 1 894 1 66 LEU HA 1 96 LEU MD2 4.410 . 4.910 2.706 2.350 2.857 . 0 0 "[ . 1 . 2]" 1 895 1 66 LEU HB2 1 67 GLU H 4.960 . 5.460 3.246 2.903 4.515 . 0 0 "[ . 1 . 2]" 1 896 1 66 LEU HB2 1 91 PHE QD 5.960 . 6.460 4.668 4.022 5.181 . 0 0 "[ . 1 . 2]" 1 897 1 66 LEU HB2 1 91 PHE QE 5.080 . 5.580 3.682 2.819 4.308 . 0 0 "[ . 1 . 2]" 1 898 1 66 LEU HB2 1 96 LEU MD2 5.810 . 6.310 4.321 3.931 4.913 . 0 0 "[ . 1 . 2]" 1 899 1 66 LEU HB2 1 100 ALA MB 6.530 . 7.030 4.372 3.875 4.575 . 0 0 "[ . 1 . 2]" 1 900 1 66 LEU HB3 1 67 GLU H 4.780 . 5.280 2.439 1.937 4.302 . 0 0 "[ . 1 . 2]" 1 901 1 66 LEU HB3 1 91 PHE QD 5.370 . 5.870 3.990 2.926 4.391 . 0 0 "[ . 1 . 2]" 1 902 1 66 LEU HB3 1 91 PHE QE 5.040 . 5.540 3.827 2.776 4.236 . 0 0 "[ . 1 . 2]" 1 903 1 66 LEU MD1 1 91 PHE QD 7.230 . 7.730 4.473 3.769 5.326 . 0 0 "[ . 1 . 2]" 1 904 1 66 LEU MD1 1 91 PHE QE 5.880 . 6.380 3.478 2.653 4.323 . 0 0 "[ . 1 . 2]" 1 905 1 66 LEU MD1 1 99 LYS HB2 5.240 . 5.740 4.017 3.394 4.384 . 0 0 "[ . 1 . 2]" 1 906 1 66 LEU MD1 1 99 LYS HB3 5.440 . 5.940 3.976 3.585 4.379 . 0 0 "[ . 1 . 2]" 1 907 1 66 LEU MD1 1 100 ALA H 4.960 . 5.460 3.503 3.092 3.949 . 0 0 "[ . 1 . 2]" 1 908 1 66 LEU MD1 1 100 ALA HA 4.400 . 4.900 2.056 1.916 2.355 . 0 0 "[ . 1 . 2]" 1 909 1 66 LEU MD1 1 103 LYS H 6.610 . 7.110 4.745 4.373 5.424 . 0 0 "[ . 1 . 2]" 1 910 1 66 LEU MD1 1 103 LYS HE2 6.040 . 6.540 2.836 2.131 4.109 . 0 0 "[ . 1 . 2]" 1 911 1 66 LEU MD1 1 103 LYS HE3 5.980 . 6.480 2.872 2.337 4.990 . 0 0 "[ . 1 . 2]" 1 912 1 66 LEU MD2 1 67 GLU H 5.090 . 5.590 3.821 3.570 4.277 . 0 0 "[ . 1 . 2]" 1 913 1 66 LEU MD2 1 91 PHE QD 7.410 . 7.910 5.014 4.174 5.288 . 0 0 "[ . 1 . 2]" 1 914 1 66 LEU MD2 1 91 PHE QE 6.710 . 7.210 4.862 4.105 5.107 . 0 0 "[ . 1 . 2]" 1 915 1 66 LEU MD2 1 96 LEU HA 5.060 . 5.560 3.852 3.638 4.084 . 0 0 "[ . 1 . 2]" 1 916 1 66 LEU MD2 1 96 LEU HB2 6.610 . 7.110 5.239 5.029 5.492 . 0 0 "[ . 1 . 2]" 1 917 1 66 LEU MD2 1 96 LEU MD2 4.990 . 5.490 2.737 2.446 3.128 . 0 0 "[ . 1 . 2]" 1 918 1 66 LEU MD2 1 99 LYS HA 5.740 . 6.240 4.130 3.968 4.251 . 0 0 "[ . 1 . 2]" 1 919 1 66 LEU MD2 1 99 LYS HB2 5.150 . 5.650 2.424 2.243 2.539 . 0 0 "[ . 1 . 2]" 1 920 1 66 LEU MD2 1 99 LYS HB3 4.860 . 5.360 2.287 2.155 2.401 . 0 0 "[ . 1 . 2]" 1 921 1 66 LEU MD2 1 99 LYS HD3 5.270 . 5.770 2.993 2.697 3.181 . 0 0 "[ . 1 . 2]" 1 922 1 66 LEU MD2 1 99 LYS QE 6.050 . 6.550 4.448 4.082 4.582 . 0 0 "[ . 1 . 2]" 1 923 1 66 LEU MD2 1 99 LYS HG2 5.670 . 6.170 4.095 3.872 4.271 . 0 0 "[ . 1 . 2]" 1 924 1 66 LEU MD2 1 99 LYS HG3 5.630 . 6.130 4.445 4.235 4.571 . 0 0 "[ . 1 . 2]" 1 925 1 66 LEU MD2 1 100 ALA H 5.570 . 6.070 3.268 2.822 3.524 . 0 0 "[ . 1 . 2]" 1 926 1 66 LEU MD2 1 100 ALA HA 5.480 . 5.980 3.174 2.762 3.685 . 0 0 "[ . 1 . 2]" 1 927 1 66 LEU HG 1 67 GLU H 5.070 . 5.570 4.815 4.675 4.992 . 0 0 "[ . 1 . 2]" 1 928 1 67 GLU H 1 67 GLU QB 3.480 . 3.980 2.925 2.162 3.104 . 0 0 "[ . 1 . 2]" 1 929 1 67 GLU H 1 67 GLU HG2 4.300 . 4.800 2.462 2.296 2.708 . 0 0 "[ . 1 . 2]" 1 930 1 67 GLU H 1 67 GLU HG3 4.150 . 4.650 3.729 3.497 3.983 . 0 0 "[ . 1 . 2]" 1 931 1 67 GLU H 1 68 ILE H 4.780 . 5.280 3.569 1.834 4.646 . 0 0 "[ . 1 . 2]" 1 932 1 67 GLU H 1 96 LEU MD1 4.580 . 5.080 2.290 2.008 3.272 . 0 0 "[ . 1 . 2]" 1 933 1 67 GLU H 1 96 LEU MD2 4.620 . 5.120 2.318 1.996 3.010 . 0 0 "[ . 1 . 2]" 1 934 1 67 GLU HA 1 67 GLU HG2 3.520 . 4.020 3.648 3.609 3.676 . 0 0 "[ . 1 . 2]" 1 935 1 67 GLU HA 1 67 GLU HG3 3.800 . 4.300 3.715 3.693 3.750 . 0 0 "[ . 1 . 2]" 1 936 1 67 GLU HA 1 68 ILE H 3.080 . 3.580 2.749 2.313 3.459 . 0 0 "[ . 1 . 2]" 1 937 1 67 GLU HA 1 68 ILE MD 5.880 . 6.380 4.674 4.541 4.915 . 0 0 "[ . 1 . 2]" 1 938 1 67 GLU HA 1 68 ILE HG12 4.550 . 5.050 4.541 4.312 4.887 . 0 0 "[ . 1 . 2]" 1 939 1 67 GLU HA 1 68 ILE HG13 5.070 . 5.570 3.244 3.063 3.551 . 0 0 "[ . 1 . 2]" 1 940 1 67 GLU HA 1 91 PHE QD 6.170 . 6.670 5.129 4.853 5.560 . 0 0 "[ . 1 . 2]" 1 941 1 67 GLU HA 1 92 ALA MB 6.610 . 7.110 5.238 5.146 5.378 . 0 0 "[ . 1 . 2]" 1 942 1 67 GLU HA 1 96 LEU MD1 5.440 . 5.940 4.570 4.437 4.801 . 0 0 "[ . 1 . 2]" 1 943 1 67 GLU HA 1 96 LEU MD2 6.580 . 7.080 4.547 4.412 4.788 . 0 0 "[ . 1 . 2]" 1 944 1 67 GLU QB 1 68 ILE H 4.190 . 4.690 2.976 2.534 3.768 . 0 0 "[ . 1 . 2]" 1 945 1 67 GLU QB 1 92 ALA MB 4.960 . 5.460 3.793 3.744 3.855 . 0 0 "[ . 1 . 2]" 1 946 1 67 GLU QB 1 96 LEU MD2 7.250 . 7.750 3.409 3.227 3.628 . 0 0 "[ . 1 . 2]" 1 947 1 67 GLU HG2 1 68 ILE H 4.090 . 4.590 3.632 2.563 4.145 . 0 0 "[ . 1 . 2]" 1 948 1 67 GLU HG2 1 68 ILE MG 6.610 . 7.110 5.791 5.702 5.870 . 0 0 "[ . 1 . 2]" 1 949 1 67 GLU HG2 1 92 ALA MB 4.940 . 5.440 2.619 2.536 2.724 . 0 0 "[ . 1 . 2]" 1 950 1 67 GLU HG3 1 68 ILE H 4.190 . 4.690 3.151 2.887 3.310 . 0 0 "[ . 1 . 2]" 1 951 1 67 GLU HG3 1 68 ILE MG 6.610 . 7.110 5.282 5.162 5.399 . 0 0 "[ . 1 . 2]" 1 952 1 67 GLU HG3 1 92 ALA H 5.290 . 5.790 3.348 3.172 3.650 . 0 0 "[ . 1 . 2]" 1 953 1 67 GLU HG3 1 92 ALA HA 5.210 . 5.710 4.551 4.446 4.705 . 0 0 "[ . 1 . 2]" 1 954 1 67 GLU HG3 1 92 ALA MB 4.170 . 4.670 2.137 2.061 2.232 . 0 0 "[ . 1 . 2]" 1 955 1 67 GLU HG3 1 96 LEU MD2 4.380 . 4.880 3.700 3.653 3.744 . 0 0 "[ . 1 . 2]" 1 956 1 68 ILE H 1 68 ILE HB 3.530 . 4.030 3.212 2.854 3.779 . 0 0 "[ . 1 . 2]" 1 957 1 68 ILE H 1 68 ILE MD 5.070 . 5.570 4.122 4.004 4.234 . 0 0 "[ . 1 . 2]" 1 958 1 68 ILE H 1 68 ILE HG12 4.400 . 4.900 3.481 2.701 3.946 . 0 0 "[ . 1 . 2]" 1 959 1 68 ILE H 1 68 ILE HG13 4.590 . 5.090 2.789 2.709 2.909 . 0 0 "[ . 1 . 2]" 1 960 1 68 ILE H 1 69 VAL H 5.070 . 5.570 4.499 4.405 4.697 . 0 0 "[ . 1 . 2]" 1 961 1 68 ILE H 1 69 VAL MG1 6.610 . 7.110 5.101 4.844 5.558 . 0 0 "[ . 1 . 2]" 1 962 1 68 ILE H 1 92 ALA MB 6.030 . 6.530 4.243 3.681 4.580 . 0 0 "[ . 1 . 2]" 1 963 1 68 ILE H 1 96 LEU MD1 6.030 . 6.530 4.300 2.456 5.222 . 0 0 "[ . 1 . 2]" 1 964 1 68 ILE HA 1 68 ILE HG13 4.210 . 4.710 3.376 3.298 3.496 . 0 0 "[ . 1 . 2]" 1 965 1 68 ILE HA 1 69 VAL H 3.500 . 4.000 2.473 2.363 2.779 . 0 0 "[ . 1 . 2]" 1 966 1 68 ILE HA 1 69 VAL HA 4.470 . 4.970 4.447 4.376 4.591 . 0 0 "[ . 1 . 2]" 1 967 1 68 ILE HA 1 69 VAL MG2 4.940 . 5.440 4.103 3.842 4.177 . 0 0 "[ . 1 . 2]" 1 968 1 68 ILE HA 1 91 PHE H 5.500 . 6.000 4.797 4.502 5.079 . 0 0 "[ . 1 . 2]" 1 969 1 68 ILE HA 1 91 PHE HA 3.500 . 4.000 1.990 1.782 2.230 0.018 12 0 "[ . 1 . 2]" 1 970 1 68 ILE HA 1 91 PHE HB2 4.720 . 5.220 4.869 4.570 5.043 . 0 0 "[ . 1 . 2]" 1 971 1 68 ILE HA 1 91 PHE HB3 5.500 . 6.000 3.862 3.478 4.039 . 0 0 "[ . 1 . 2]" 1 972 1 68 ILE HA 1 91 PHE QD 5.370 . 5.870 2.593 2.202 2.920 . 0 0 "[ . 1 . 2]" 1 973 1 68 ILE HA 1 91 PHE QE 5.920 . 6.420 4.514 4.123 4.769 . 0 0 "[ . 1 . 2]" 1 974 1 68 ILE HA 1 92 ALA H 4.250 . 4.750 2.904 2.626 3.135 . 0 0 "[ . 1 . 2]" 1 975 1 68 ILE HA 1 92 ALA MB 5.980 . 6.480 3.816 3.556 4.102 . 0 0 "[ . 1 . 2]" 1 976 1 68 ILE HB 1 69 VAL H 4.850 . 5.350 3.443 2.498 3.814 . 0 0 "[ . 1 . 2]" 1 977 1 68 ILE HB 1 91 PHE HA 5.370 . 5.870 4.643 4.410 4.733 . 0 0 "[ . 1 . 2]" 1 978 1 68 ILE HB 1 91 PHE QE 5.750 . 6.250 5.231 5.137 5.283 . 0 0 "[ . 1 . 2]" 1 979 1 68 ILE MD 1 69 VAL H 6.610 . 7.110 4.763 4.152 5.040 . 0 0 "[ . 1 . 2]" 1 980 1 68 ILE MD 1 69 VAL MG2 7.930 . 8.430 5.362 4.902 5.548 . 0 0 "[ . 1 . 2]" 1 981 1 68 ILE MD 1 73 ILE HG12 6.160 . 6.660 3.252 3.050 3.660 . 0 0 "[ . 1 . 2]" 1 982 1 68 ILE MD 1 89 VAL MG2 5.570 . 6.070 3.571 3.351 3.844 . 0 0 "[ . 1 . 2]" 1 983 1 68 ILE MD 1 91 PHE HA 5.780 . 6.280 4.680 4.447 4.871 . 0 0 "[ . 1 . 2]" 1 984 1 68 ILE MD 1 91 PHE QD 5.990 . 6.490 3.862 3.715 4.174 . 0 0 "[ . 1 . 2]" 1 985 1 68 ILE MD 1 91 PHE QE 5.260 . 5.760 3.011 2.816 3.279 . 0 0 "[ . 1 . 2]" 1 986 1 68 ILE MD 1 96 LEU MD1 7.930 . 8.430 4.965 4.842 5.312 . 0 0 "[ . 1 . 2]" 1 987 1 68 ILE HG12 1 89 VAL MG2 5.960 . 6.460 5.076 5.015 5.185 . 0 0 "[ . 1 . 2]" 1 988 1 68 ILE HG12 1 91 PHE QD 5.810 . 6.310 2.242 2.076 2.593 . 0 0 "[ . 1 . 2]" 1 989 1 68 ILE HG12 1 91 PHE QE 5.610 . 6.110 2.274 2.142 2.368 . 0 0 "[ . 1 . 2]" 1 990 1 68 ILE HG13 1 69 VAL H 5.500 . 6.000 5.104 4.658 5.262 . 0 0 "[ . 1 . 2]" 1 991 1 68 ILE HG13 1 91 PHE HA 5.390 . 5.890 4.819 4.592 5.101 . 0 0 "[ . 1 . 2]" 1 992 1 68 ILE HG13 1 91 PHE QD 5.720 . 6.220 3.581 3.429 3.830 . 0 0 "[ . 1 . 2]" 1 993 1 68 ILE HG13 1 91 PHE QE 6.010 . 6.510 3.556 3.414 3.719 . 0 0 "[ . 1 . 2]" 1 994 1 68 ILE MG 1 69 VAL H 4.110 . 4.610 1.939 1.519 2.203 0.281 13 0 "[ . 1 . 2]" 1 995 1 68 ILE MG 1 69 VAL HA 6.610 . 7.110 4.189 4.069 4.240 . 0 0 "[ . 1 . 2]" 1 996 1 68 ILE MG 1 69 VAL MG2 6.160 . 6.660 2.785 2.188 3.060 . 0 0 "[ . 1 . 2]" 1 997 1 68 ILE MG 1 72 GLY H 4.950 . 5.450 3.718 3.521 3.996 . 0 0 "[ . 1 . 2]" 1 998 1 68 ILE MG 1 73 ILE HG12 4.880 . 5.380 2.932 2.721 3.414 . 0 0 "[ . 1 . 2]" 1 999 1 68 ILE MG 1 89 VAL MG2 5.570 . 6.070 3.666 3.570 3.833 . 0 0 "[ . 1 . 2]" 1 1000 1 68 ILE MG 1 91 PHE HA 5.080 . 5.580 2.403 2.149 2.755 . 0 0 "[ . 1 . 2]" 1 1001 1 68 ILE MG 1 91 PHE HB2 5.970 . 6.470 4.759 4.571 5.016 . 0 0 "[ . 1 . 2]" 1 1002 1 68 ILE MG 1 91 PHE QD 7.410 . 7.910 2.906 2.644 3.424 . 0 0 "[ . 1 . 2]" 1 1003 1 68 ILE MG 1 91 PHE QE 7.250 . 7.750 3.725 3.393 3.907 . 0 0 "[ . 1 . 2]" 1 1004 1 68 ILE MG 1 92 ALA H 6.610 . 7.110 4.296 4.015 4.642 . 0 0 "[ . 1 . 2]" 1 1005 1 69 VAL H 1 69 VAL MG1 4.260 . 4.760 2.350 2.092 2.795 . 0 0 "[ . 1 . 2]" 1 1006 1 69 VAL H 1 69 VAL MG2 4.250 . 4.750 2.094 1.913 2.291 . 0 0 "[ . 1 . 2]" 1 1007 1 69 VAL H 1 70 PRO HD2 4.970 . 5.470 5.043 5.009 5.060 . 0 0 "[ . 1 . 2]" 1 1008 1 69 VAL H 1 70 PRO HD3 5.110 . 5.610 4.791 4.724 4.866 . 0 0 "[ . 1 . 2]" 1 1009 1 69 VAL H 1 91 PHE HA 4.150 . 4.650 3.173 2.802 3.505 . 0 0 "[ . 1 . 2]" 1 1010 1 69 VAL H 1 91 PHE QD 6.170 . 6.670 4.743 4.494 5.056 . 0 0 "[ . 1 . 2]" 1 1011 1 69 VAL H 1 92 ALA H 4.800 . 5.300 4.218 3.761 4.813 . 0 0 "[ . 1 . 2]" 1 1012 1 69 VAL H 1 92 ALA HA 4.790 . 5.290 4.481 4.001 5.161 . 0 0 "[ . 1 . 2]" 1 1013 1 69 VAL H 1 92 ALA MB 6.090 . 6.590 4.399 3.934 4.951 . 0 0 "[ . 1 . 2]" 1 1014 1 69 VAL HA 1 70 PRO HB2 5.050 . 5.550 5.105 5.090 5.140 . 0 0 "[ . 1 . 2]" 1 1015 1 69 VAL HA 1 70 PRO HB3 5.500 . 6.000 5.614 5.601 5.661 . 0 0 "[ . 1 . 2]" 1 1016 1 69 VAL HA 1 70 PRO HD2 3.330 . 3.830 2.742 2.680 2.857 . 0 0 "[ . 1 . 2]" 1 1017 1 69 VAL HA 1 70 PRO HD3 3.520 . 4.020 2.009 1.989 2.067 . 0 0 "[ . 1 . 2]" 1 1018 1 69 VAL HA 1 70 PRO HG3 4.670 . 5.170 4.204 4.157 4.243 . 0 0 "[ . 1 . 2]" 1 1019 1 69 VAL HA 1 92 ALA HA 5.220 . 5.720 4.806 3.993 4.993 . 0 0 "[ . 1 . 2]" 1 1020 1 69 VAL HA 1 92 ALA MB 6.230 . 6.730 4.250 3.611 4.467 . 0 0 "[ . 1 . 2]" 1 1021 1 69 VAL HB 1 70 PRO HD2 3.100 . 3.600 2.107 2.061 2.176 . 0 0 "[ . 1 . 2]" 1 1022 1 69 VAL HB 1 70 PRO HD3 3.770 . 4.270 3.105 3.028 3.191 . 0 0 "[ . 1 . 2]" 1 1023 1 69 VAL HB 1 72 GLY H 5.350 . 5.850 5.449 5.370 5.618 . 0 0 "[ . 1 . 2]" 1 1024 1 69 VAL HB 1 72 GLY HA2 5.340 . 5.840 5.460 5.392 5.501 . 0 0 "[ . 1 . 2]" 1 1025 1 69 VAL HB 1 72 GLY HA3 5.180 . 5.680 4.658 4.570 4.943 . 0 0 "[ . 1 . 2]" 1 1026 1 69 VAL HB 1 92 ALA HA 5.060 . 5.560 5.020 4.686 5.166 . 0 0 "[ . 1 . 2]" 1 1027 1 69 VAL HB 1 92 ALA MB 6.610 . 7.110 5.304 5.009 5.468 . 0 0 "[ . 1 . 2]" 1 1028 1 69 VAL MG1 1 70 PRO HD2 4.130 . 4.630 3.491 3.026 3.554 . 0 0 "[ . 1 . 2]" 1 1029 1 69 VAL MG1 1 70 PRO HD3 4.910 . 5.410 3.610 3.115 3.744 . 0 0 "[ . 1 . 2]" 1 1030 1 69 VAL MG1 1 90 GLN HA 5.910 . 6.410 5.030 4.913 5.115 . 0 0 "[ . 1 . 2]" 1 1031 1 69 VAL MG1 1 90 GLN HE21 6.590 . 7.090 4.552 4.238 4.905 . 0 0 "[ . 1 . 2]" 1 1032 1 69 VAL MG1 1 90 GLN HE22 6.300 . 6.800 5.008 4.585 5.324 . 0 0 "[ . 1 . 2]" 1 1033 1 69 VAL MG1 1 90 GLN HG2 6.290 . 6.790 2.810 2.635 2.945 . 0 0 "[ . 1 . 2]" 1 1034 1 69 VAL MG1 1 90 GLN HG3 5.220 . 5.720 4.225 4.058 4.352 . 0 0 "[ . 1 . 2]" 1 1035 1 69 VAL MG1 1 91 PHE HA 5.600 . 6.100 3.583 3.211 3.808 . 0 0 "[ . 1 . 2]" 1 1036 1 69 VAL MG1 1 92 ALA H 5.200 . 5.700 3.489 3.148 3.703 . 0 0 "[ . 1 . 2]" 1 1037 1 69 VAL MG1 1 92 ALA HA 3.940 . 4.440 2.246 2.089 2.316 . 0 0 "[ . 1 . 2]" 1 1038 1 69 VAL MG1 1 92 ALA MB 5.680 . 6.180 2.920 2.669 3.253 . 0 0 "[ . 1 . 2]" 1 1039 1 69 VAL MG1 1 93 SER H 6.610 . 7.110 3.299 3.144 3.383 . 0 0 "[ . 1 . 2]" 1 1040 1 69 VAL MG2 1 70 PRO HA 6.580 . 7.080 4.648 4.509 5.050 . 0 0 "[ . 1 . 2]" 1 1041 1 69 VAL MG2 1 70 PRO HD2 4.890 . 5.390 3.516 3.424 3.756 . 0 0 "[ . 1 . 2]" 1 1042 1 69 VAL MG2 1 70 PRO HD3 5.520 . 6.020 4.247 4.196 4.373 . 0 0 "[ . 1 . 2]" 1 1043 1 69 VAL MG2 1 72 GLY H 5.040 . 5.540 3.398 3.193 3.530 . 0 0 "[ . 1 . 2]" 1 1044 1 69 VAL MG2 1 72 GLY HA2 4.460 . 4.960 2.910 2.780 3.270 . 0 0 "[ . 1 . 2]" 1 1045 1 69 VAL MG2 1 72 GLY HA3 4.350 . 4.850 2.154 2.014 2.390 . 0 0 "[ . 1 . 2]" 1 1046 1 69 VAL MG2 1 90 GLN H 5.680 . 6.180 3.666 3.525 3.794 . 0 0 "[ . 1 . 2]" 1 1047 1 69 VAL MG2 1 90 GLN HA 4.770 . 5.270 4.209 4.083 4.313 . 0 0 "[ . 1 . 2]" 1 1048 1 69 VAL MG2 1 90 GLN HB2 4.650 . 5.150 3.678 3.559 3.861 . 0 0 "[ . 1 . 2]" 1 1049 1 69 VAL MG2 1 90 GLN HB3 5.780 . 6.280 2.286 2.139 2.403 . 0 0 "[ . 1 . 2]" 1 1050 1 69 VAL MG2 1 90 GLN HE21 6.230 . 6.730 4.518 4.329 4.949 . 0 0 "[ . 1 . 2]" 1 1051 1 69 VAL MG2 1 90 GLN HE22 6.060 . 6.560 4.663 4.371 5.203 . 0 0 "[ . 1 . 2]" 1 1052 1 69 VAL MG2 1 90 GLN HG2 5.210 . 5.710 2.355 2.223 2.582 . 0 0 "[ . 1 . 2]" 1 1053 1 69 VAL MG2 1 90 GLN HG3 5.640 . 6.140 3.764 3.636 4.027 . 0 0 "[ . 1 . 2]" 1 1054 1 69 VAL MG2 1 91 PHE HA 5.690 . 6.190 4.056 3.499 4.248 . 0 0 "[ . 1 . 2]" 1 1055 1 69 VAL MG2 1 92 ALA H 6.610 . 7.110 5.045 4.603 5.172 . 0 0 "[ . 1 . 2]" 1 1056 1 69 VAL MG2 1 92 ALA HA 4.900 . 5.400 4.325 4.205 4.466 . 0 0 "[ . 1 . 2]" 1 1057 1 69 VAL MG2 1 92 ALA MB 7.140 . 7.640 4.856 4.693 4.927 . 0 0 "[ . 1 . 2]" 1 1058 1 69 VAL MG2 1 93 SER H 6.610 . 7.110 4.883 4.752 5.136 . 0 0 "[ . 1 . 2]" 1 1059 1 70 PRO HA 1 71 ASN HA 4.890 . 5.390 4.397 4.321 4.603 . 0 0 "[ . 1 . 2]" 1 1060 1 70 PRO HA 1 71 ASN HB2 5.500 . 6.000 4.752 4.573 5.777 . 0 0 "[ . 1 . 2]" 1 1061 1 70 PRO HA 1 71 ASN HB3 5.350 . 5.850 5.004 4.685 5.518 . 0 0 "[ . 1 . 2]" 1 1062 1 70 PRO HB3 1 71 ASN HB3 5.350 . 5.850 4.840 4.603 5.251 . 0 0 "[ . 1 . 2]" 1 1063 1 71 ASN HA 1 72 GLY HA2 5.500 . 6.000 4.624 4.427 4.699 . 0 0 "[ . 1 . 2]" 1 1064 1 71 ASN HA 1 72 GLY HA3 5.140 . 5.640 4.842 4.360 4.942 . 0 0 "[ . 1 . 2]" 1 1065 1 71 ASN HA 1 73 ILE H 4.550 . 5.050 3.438 3.165 3.861 . 0 0 "[ . 1 . 2]" 1 1066 1 71 ASN HB2 1 72 GLY H 4.900 . 5.400 4.605 4.225 4.664 . 0 0 "[ . 1 . 2]" 1 1067 1 71 ASN HB2 1 73 ILE H 5.500 . 6.000 5.485 4.677 5.590 . 0 0 "[ . 1 . 2]" 1 1068 1 71 ASN HB3 1 72 GLY H 4.890 . 5.390 4.330 4.182 4.680 . 0 0 "[ . 1 . 2]" 1 1069 1 71 ASN HB3 1 73 ILE H 5.500 . 6.000 5.206 4.942 5.576 . 0 0 "[ . 1 . 2]" 1 1070 1 71 ASN HD22 1 73 ILE H 5.500 . 6.000 5.354 4.692 6.589 0.589 19 1 "[ . 1 . +2]" 1 1071 1 72 GLY H 1 73 ILE H 3.740 . 4.240 2.813 1.871 3.156 . 0 0 "[ . 1 . 2]" 1 1072 1 72 GLY H 1 73 ILE HB 4.310 . 4.810 4.369 3.884 4.478 . 0 0 "[ . 1 . 2]" 1 1073 1 72 GLY H 1 73 ILE MD 5.270 . 5.770 4.228 3.962 4.351 . 0 0 "[ . 1 . 2]" 1 1074 1 72 GLY H 1 73 ILE HG13 5.500 . 6.000 3.193 2.645 3.487 . 0 0 "[ . 1 . 2]" 1 1075 1 72 GLY H 1 73 ILE MG 6.570 . 7.070 5.479 5.003 5.586 . 0 0 "[ . 1 . 2]" 1 1076 1 72 GLY H 1 90 GLN H 5.500 . 6.000 5.059 4.604 5.211 . 0 0 "[ . 1 . 2]" 1 1077 1 72 GLY HA2 1 90 GLN H 4.890 . 5.390 3.961 3.768 4.247 . 0 0 "[ . 1 . 2]" 1 1078 1 72 GLY HA2 1 90 GLN HB2 4.190 . 4.690 4.239 4.136 4.315 . 0 0 "[ . 1 . 2]" 1 1079 1 72 GLY HA3 1 89 VAL MG2 6.610 . 7.110 5.599 5.526 5.655 . 0 0 "[ . 1 . 2]" 1 1080 1 72 GLY HA3 1 90 GLN H 4.800 . 5.300 3.150 2.793 3.303 . 0 0 "[ . 1 . 2]" 1 1081 1 72 GLY HA3 1 90 GLN HB2 4.340 . 4.840 4.320 3.673 4.487 . 0 0 "[ . 1 . 2]" 1 1082 1 72 GLY HA3 1 90 GLN HB3 5.040 . 5.540 2.804 2.202 2.959 . 0 0 "[ . 1 . 2]" 1 1083 1 72 GLY O 1 90 GLN H 2.400 . 2.900 1.909 1.778 2.413 0.022 9 0 "[ . 1 . 2]" 1 1084 1 72 GLY O 1 90 GLN N 3.400 . 3.900 2.710 2.654 2.950 . 0 0 "[ . 1 . 2]" 1 1085 1 73 ILE H 1 73 ILE HB 3.220 . 3.720 2.610 2.250 2.745 . 0 0 "[ . 1 . 2]" 1 1086 1 73 ILE H 1 73 ILE MD 5.300 . 5.800 4.008 3.597 4.139 . 0 0 "[ . 1 . 2]" 1 1087 1 73 ILE H 1 73 ILE HG12 4.360 . 4.860 4.061 3.657 4.204 . 0 0 "[ . 1 . 2]" 1 1088 1 73 ILE H 1 73 ILE HG13 4.720 . 5.220 2.914 2.469 3.067 . 0 0 "[ . 1 . 2]" 1 1089 1 73 ILE H 1 74 THR H 4.670 . 5.170 4.425 4.350 4.569 . 0 0 "[ . 1 . 2]" 1 1090 1 73 ILE H 1 89 VAL HA 4.600 . 5.100 4.644 4.478 4.682 . 0 0 "[ . 1 . 2]" 1 1091 1 73 ILE H 1 89 VAL MG1 6.610 . 7.110 4.742 3.888 4.987 . 0 0 "[ . 1 . 2]" 1 1092 1 73 ILE H 1 89 VAL MG2 6.220 . 6.720 5.112 4.920 5.189 . 0 0 "[ . 1 . 2]" 1 1093 1 73 ILE H 1 90 GLN H 5.500 . 6.000 4.886 4.626 4.969 . 0 0 "[ . 1 . 2]" 1 1094 1 73 ILE HA 1 73 ILE HG12 4.160 . 4.660 2.616 2.542 2.680 . 0 0 "[ . 1 . 2]" 1 1095 1 73 ILE HA 1 74 THR H 3.290 . 3.790 2.233 2.212 2.253 . 0 0 "[ . 1 . 2]" 1 1096 1 73 ILE HA 1 74 THR MG 6.580 . 7.080 5.417 5.396 5.445 . 0 0 "[ . 1 . 2]" 1 1097 1 73 ILE HA 1 89 VAL HB 5.500 . 6.000 4.858 4.666 4.956 . 0 0 "[ . 1 . 2]" 1 1098 1 73 ILE HA 1 89 VAL MG1 5.090 . 5.590 3.231 2.616 3.598 . 0 0 "[ . 1 . 2]" 1 1099 1 73 ILE HA 1 89 VAL MG2 5.860 . 6.360 2.747 2.635 2.884 . 0 0 "[ . 1 . 2]" 1 1100 1 73 ILE HA 1 90 GLN H 4.520 . 5.020 3.648 3.481 3.723 . 0 0 "[ . 1 . 2]" 1 1101 1 73 ILE HB 1 74 THR H 4.400 . 4.900 3.974 3.896 4.015 . 0 0 "[ . 1 . 2]" 1 1102 1 73 ILE HB 1 89 VAL HA 4.770 . 5.270 4.968 4.889 5.027 . 0 0 "[ . 1 . 2]" 1 1103 1 73 ILE HB 1 89 VAL MG2 6.610 . 7.110 4.260 4.125 4.554 . 0 0 "[ . 1 . 2]" 1 1104 1 73 ILE MD 1 74 THR H 6.390 . 6.890 4.901 4.838 4.981 . 0 0 "[ . 1 . 2]" 1 1105 1 73 ILE MD 1 89 VAL HA 5.780 . 6.280 4.764 4.570 4.882 . 0 0 "[ . 1 . 2]" 1 1106 1 73 ILE MD 1 89 VAL MG2 6.660 . 7.160 3.221 2.919 3.439 . 0 0 "[ . 1 . 2]" 1 1107 1 73 ILE MD 1 90 GLN H 6.610 . 7.110 5.066 4.852 5.287 . 0 0 "[ . 1 . 2]" 1 1108 1 73 ILE HG12 1 74 THR H 5.500 . 6.000 4.303 4.092 4.422 . 0 0 "[ . 1 . 2]" 1 1109 1 73 ILE HG12 1 89 VAL MG1 4.970 . 5.470 2.123 2.018 2.377 . 0 0 "[ . 1 . 2]" 1 1110 1 73 ILE HG12 1 89 VAL MG2 5.780 . 6.280 2.124 2.031 2.217 . 0 0 "[ . 1 . 2]" 1 1111 1 73 ILE HG13 1 74 THR H 5.420 . 5.920 4.996 4.842 5.084 . 0 0 "[ . 1 . 2]" 1 1112 1 73 ILE HG13 1 89 VAL HA 4.810 . 5.310 4.083 3.928 4.262 . 0 0 "[ . 1 . 2]" 1 1113 1 73 ILE HG13 1 89 VAL MG2 5.840 . 6.340 3.669 3.616 3.752 . 0 0 "[ . 1 . 2]" 1 1114 1 73 ILE MG 1 74 THR H 4.540 . 5.040 2.279 2.219 2.391 . 0 0 "[ . 1 . 2]" 1 1115 1 73 ILE MG 1 74 THR HA 6.610 . 7.110 3.480 3.300 3.560 . 0 0 "[ . 1 . 2]" 1 1116 1 73 ILE MG 1 74 THR HB 6.200 . 6.700 4.504 4.457 4.563 . 0 0 "[ . 1 . 2]" 1 1117 1 73 ILE MG 1 75 LEU H 6.050 . 6.550 4.515 4.238 4.640 . 0 0 "[ . 1 . 2]" 1 1118 1 73 ILE MG 1 89 VAL HA 5.440 . 5.940 3.496 3.257 3.798 . 0 0 "[ . 1 . 2]" 1 1119 1 73 ILE MG 1 89 VAL MG2 4.560 . 5.060 2.110 1.994 2.573 . 0 0 "[ . 1 . 2]" 1 1120 1 74 THR H 1 74 THR HB 3.960 . 4.460 2.729 2.685 2.770 . 0 0 "[ . 1 . 2]" 1 1121 1 74 THR H 1 75 LEU H 5.000 . 5.500 4.398 4.344 4.427 . 0 0 "[ . 1 . 2]" 1 1122 1 74 THR H 1 87 ALA MB 6.200 . 6.700 3.755 3.652 3.846 . 0 0 "[ . 1 . 2]" 1 1123 1 74 THR H 1 88 PHE H 4.280 . 4.780 2.920 2.832 2.994 . 0 0 "[ . 1 . 2]" 1 1124 1 74 THR H 1 88 PHE HA 5.500 . 6.000 4.867 4.822 4.903 . 0 0 "[ . 1 . 2]" 1 1125 1 74 THR H 1 88 PHE HB2 4.950 . 5.450 3.537 3.402 3.616 . 0 0 "[ . 1 . 2]" 1 1126 1 74 THR H 1 88 PHE HB3 4.680 . 5.180 4.713 4.593 4.802 . 0 0 "[ . 1 . 2]" 1 1127 1 74 THR H 1 88 PHE QD 5.870 . 6.370 4.881 4.726 4.982 . 0 0 "[ . 1 . 2]" 1 1128 1 74 THR H 1 88 PHE O 2.400 . 2.900 1.870 1.834 1.915 . 0 0 "[ . 1 . 2]" 1 1129 1 74 THR H 1 89 VAL HA 3.810 . 4.310 3.463 3.370 3.573 . 0 0 "[ . 1 . 2]" 1 1130 1 74 THR H 1 89 VAL MG1 6.110 . 6.610 4.845 4.414 5.118 . 0 0 "[ . 1 . 2]" 1 1131 1 74 THR H 1 89 VAL MG2 6.610 . 7.110 3.425 3.307 3.519 . 0 0 "[ . 1 . 2]" 1 1132 1 74 THR H 1 90 GLN H 5.450 . 5.950 5.558 5.422 5.650 . 0 0 "[ . 1 . 2]" 1 1133 1 74 THR HA 1 75 LEU H 3.090 . 3.590 2.274 2.225 2.316 . 0 0 "[ . 1 . 2]" 1 1134 1 74 THR HA 1 75 LEU HA 4.580 . 5.080 4.501 4.479 4.520 . 0 0 "[ . 1 . 2]" 1 1135 1 74 THR HA 1 75 LEU HB2 5.500 . 6.000 4.098 3.877 4.468 . 0 0 "[ . 1 . 2]" 1 1136 1 74 THR HA 1 75 LEU MD1 6.610 . 7.110 4.764 3.435 5.303 . 0 0 "[ . 1 . 2]" 1 1137 1 74 THR HA 1 75 LEU HG 5.500 . 6.000 4.338 3.403 5.191 . 0 0 "[ . 1 . 2]" 1 1138 1 74 THR HA 1 76 PRO HD3 5.500 . 6.000 4.848 4.633 5.004 . 0 0 "[ . 1 . 2]" 1 1139 1 74 THR HA 1 88 PHE H 5.240 . 5.740 4.937 4.841 5.004 . 0 0 "[ . 1 . 2]" 1 1140 1 74 THR HA 1 88 PHE QD 6.160 . 6.660 5.476 5.117 5.603 . 0 0 "[ . 1 . 2]" 1 1141 1 74 THR HA 1 123 VAL MG2 6.610 . 7.110 4.444 4.360 4.552 . 0 0 "[ . 1 . 2]" 1 1142 1 74 THR HB 1 75 LEU H 4.880 . 5.380 3.929 3.854 4.027 . 0 0 "[ . 1 . 2]" 1 1143 1 74 THR HB 1 76 PRO HD2 5.500 . 6.000 5.578 5.507 5.632 . 0 0 "[ . 1 . 2]" 1 1144 1 74 THR HB 1 87 ALA HA 5.230 . 5.730 4.938 4.807 5.047 . 0 0 "[ . 1 . 2]" 1 1145 1 74 THR HB 1 88 PHE H 4.200 . 4.700 3.460 3.373 3.563 . 0 0 "[ . 1 . 2]" 1 1146 1 74 THR HB 1 88 PHE HA 5.040 . 5.540 4.927 4.861 4.994 . 0 0 "[ . 1 . 2]" 1 1147 1 74 THR HB 1 88 PHE HB2 4.110 . 4.610 2.114 2.059 2.173 . 0 0 "[ . 1 . 2]" 1 1148 1 74 THR HB 1 88 PHE HB3 3.900 . 4.400 3.670 3.622 3.730 . 0 0 "[ . 1 . 2]" 1 1149 1 74 THR HB 1 88 PHE QD 4.020 . 4.520 3.118 2.622 3.352 . 0 0 "[ . 1 . 2]" 1 1150 1 74 THR HB 1 123 VAL MG1 6.450 . 6.950 4.921 4.817 4.997 . 0 0 "[ . 1 . 2]" 1 1151 1 74 THR HB 1 123 VAL MG2 5.060 . 5.560 2.174 2.063 2.290 . 0 0 "[ . 1 . 2]" 1 1152 1 74 THR MG 1 75 LEU H 4.650 . 5.150 2.260 2.195 2.385 . 0 0 "[ . 1 . 2]" 1 1153 1 74 THR MG 1 75 LEU HA 5.700 . 6.200 3.590 3.479 3.693 . 0 0 "[ . 1 . 2]" 1 1154 1 74 THR MG 1 76 PRO HD2 5.390 . 5.890 4.064 3.955 4.224 . 0 0 "[ . 1 . 2]" 1 1155 1 74 THR MG 1 76 PRO HD3 5.000 . 5.500 2.462 2.329 2.642 . 0 0 "[ . 1 . 2]" 1 1156 1 74 THR MG 1 76 PRO HG2 5.780 . 6.280 4.456 4.126 4.725 . 0 0 "[ . 1 . 2]" 1 1157 1 74 THR MG 1 87 ALA HA 5.560 . 6.060 4.528 4.382 4.651 . 0 0 "[ . 1 . 2]" 1 1158 1 74 THR MG 1 88 PHE H 5.870 . 6.370 4.257 4.177 4.315 . 0 0 "[ . 1 . 2]" 1 1159 1 74 THR MG 1 88 PHE HB2 5.860 . 6.360 3.421 3.389 3.456 . 0 0 "[ . 1 . 2]" 1 1160 1 74 THR MG 1 88 PHE HB3 5.600 . 6.100 4.725 4.688 4.765 . 0 0 "[ . 1 . 2]" 1 1161 1 74 THR MG 1 88 PHE QD 5.010 . 5.510 2.944 2.515 3.215 . 0 0 "[ . 1 . 2]" 1 1162 1 74 THR MG 1 123 VAL MG1 7.430 . 7.930 5.000 4.835 5.144 . 0 0 "[ . 1 . 2]" 1 1163 1 74 THR MG 1 123 VAL MG2 5.880 . 6.380 2.825 2.605 3.005 . 0 0 "[ . 1 . 2]" 1 1164 1 74 THR MG 1 125 SER HB2 6.610 . 7.110 2.798 2.327 3.982 . 0 0 "[ . 1 . 2]" 1 1165 1 74 THR MG 1 125 SER HB3 6.610 . 7.110 3.593 2.330 4.043 . 0 0 "[ . 1 . 2]" 1 1166 1 74 THR MG 1 126 TYR QD 7.410 . 7.910 4.760 4.351 5.201 . 0 0 "[ . 1 . 2]" 1 1167 1 74 THR MG 1 126 TYR QE 6.480 . 6.980 4.524 4.217 4.811 . 0 0 "[ . 1 . 2]" 1 1168 1 74 THR N 1 88 PHE O 3.400 . 3.900 2.835 2.799 2.886 . 0 0 "[ . 1 . 2]" 1 1169 1 74 THR O 1 88 PHE H 2.400 . 2.900 2.110 2.012 2.216 . 0 0 "[ . 1 . 2]" 1 1170 1 74 THR O 1 88 PHE N 3.400 . 3.900 3.074 2.961 3.186 . 0 0 "[ . 1 . 2]" 1 1171 1 75 LEU H 1 75 LEU HB2 3.870 . 4.370 2.682 2.628 2.775 . 0 0 "[ . 1 . 2]" 1 1172 1 75 LEU H 1 75 LEU HB3 4.050 . 4.550 3.678 3.430 3.858 . 0 0 "[ . 1 . 2]" 1 1173 1 75 LEU H 1 75 LEU MD2 5.320 . 5.820 4.311 3.852 4.665 . 0 0 "[ . 1 . 2]" 1 1174 1 75 LEU H 1 75 LEU HG 4.700 . 5.200 3.718 3.020 4.294 . 0 0 "[ . 1 . 2]" 1 1175 1 75 LEU H 1 76 PRO HD2 5.500 . 6.000 4.585 4.541 4.668 . 0 0 "[ . 1 . 2]" 1 1176 1 75 LEU H 1 76 PRO HD3 4.900 . 5.400 3.473 3.363 3.591 . 0 0 "[ . 1 . 2]" 1 1177 1 75 LEU H 1 87 ALA MB 6.610 . 7.110 4.908 4.783 5.073 . 0 0 "[ . 1 . 2]" 1 1178 1 75 LEU HA 1 75 LEU MD2 4.410 . 4.910 2.159 2.044 3.177 . 0 0 "[ . 1 . 2]" 1 1179 1 75 LEU HA 1 76 PRO HB2 5.380 . 5.880 4.833 4.765 4.930 . 0 0 "[ . 1 . 2]" 1 1180 1 75 LEU HA 1 76 PRO HD2 3.700 . 4.200 2.300 2.241 2.439 . 0 0 "[ . 1 . 2]" 1 1181 1 75 LEU HA 1 76 PRO HD3 3.650 . 4.150 2.312 2.211 2.411 . 0 0 "[ . 1 . 2]" 1 1182 1 75 LEU HA 1 76 PRO HG2 4.740 . 5.240 4.484 4.432 4.592 . 0 0 "[ . 1 . 2]" 1 1183 1 75 LEU HA 1 76 PRO HG3 5.020 . 5.520 4.474 4.400 4.556 . 0 0 "[ . 1 . 2]" 1 1184 1 75 LEU HA 1 87 ALA HA 4.280 . 4.780 2.786 2.631 3.069 . 0 0 "[ . 1 . 2]" 1 1185 1 75 LEU HA 1 87 ALA MB 4.880 . 5.380 2.984 2.873 3.114 . 0 0 "[ . 1 . 2]" 1 1186 1 75 LEU HA 1 88 PHE H 4.800 . 5.300 3.889 3.724 3.999 . 0 0 "[ . 1 . 2]" 1 1187 1 75 LEU HA 1 88 PHE QD 5.900 . 6.400 4.421 4.019 4.865 . 0 0 "[ . 1 . 2]" 1 1188 1 75 LEU HB2 1 76 PRO HD2 5.490 . 5.990 5.064 4.992 5.125 . 0 0 "[ . 1 . 2]" 1 1189 1 75 LEU HB2 1 76 PRO HD3 5.040 . 5.540 4.849 4.808 4.892 . 0 0 "[ . 1 . 2]" 1 1190 1 75 LEU HB2 1 83 ILE HB 5.500 . 6.000 5.696 5.518 6.049 0.049 8 0 "[ . 1 . 2]" 1 1191 1 75 LEU HB2 1 83 ILE MG 5.620 . 6.120 3.890 3.298 4.763 . 0 0 "[ . 1 . 2]" 1 1192 1 75 LEU HB3 1 76 PRO HD2 5.500 . 6.000 4.293 4.140 4.455 . 0 0 "[ . 1 . 2]" 1 1193 1 75 LEU HB3 1 76 PRO HD3 5.450 . 5.950 4.670 4.529 4.801 . 0 0 "[ . 1 . 2]" 1 1194 1 75 LEU MD2 1 76 PRO HD2 5.810 . 6.310 3.212 2.464 4.353 . 0 0 "[ . 1 . 2]" 1 1195 1 75 LEU MD2 1 76 PRO HD3 5.880 . 6.380 3.927 3.638 4.984 . 0 0 "[ . 1 . 2]" 1 1196 1 75 LEU MD2 1 87 ALA H 6.610 . 7.110 4.558 4.268 5.281 . 0 0 "[ . 1 . 2]" 1 1197 1 75 LEU MD2 1 87 ALA HA 5.360 . 5.860 3.073 2.859 4.169 . 0 0 "[ . 1 . 2]" 1 1198 1 75 LEU MD2 1 87 ALA MB 5.120 . 5.620 1.957 1.805 2.493 . 0 0 "[ . 1 . 2]" 1 1199 1 75 LEU HG 1 76 PRO HD3 5.500 . 6.000 4.656 4.168 5.101 . 0 0 "[ . 1 . 2]" 1 1200 1 76 PRO HA 1 77 VAL H 2.920 . 3.420 2.364 2.286 2.407 . 0 0 "[ . 1 . 2]" 1 1201 1 76 PRO HA 1 77 VAL HA 4.450 . 4.950 4.514 4.476 4.535 . 0 0 "[ . 1 . 2]" 1 1202 1 76 PRO HA 1 77 VAL MG2 4.820 . 5.320 3.628 3.449 3.854 . 0 0 "[ . 1 . 2]" 1 1203 1 76 PRO HB2 1 77 VAL MG2 6.610 . 7.110 5.212 5.092 5.337 . 0 0 "[ . 1 . 2]" 1 1204 1 76 PRO HB2 1 88 PHE QE 5.850 . 6.350 4.533 4.403 4.739 . 0 0 "[ . 1 . 2]" 1 1205 1 76 PRO HB3 1 84 THR MG 4.400 . 4.900 3.260 3.065 3.509 . 0 0 "[ . 1 . 2]" 1 1206 1 76 PRO HD2 1 77 VAL H 5.500 . 6.000 5.457 5.414 5.529 . 0 0 "[ . 1 . 2]" 1 1207 1 76 PRO HD2 1 87 ALA HA 4.090 . 4.590 2.483 2.321 2.643 . 0 0 "[ . 1 . 2]" 1 1208 1 76 PRO HD2 1 87 ALA MB 6.170 . 6.670 3.711 3.499 3.888 . 0 0 "[ . 1 . 2]" 1 1209 1 76 PRO HD2 1 88 PHE H 5.060 . 5.560 4.610 4.413 4.767 . 0 0 "[ . 1 . 2]" 1 1210 1 76 PRO HD2 1 88 PHE QD 5.970 . 6.470 3.818 3.520 4.311 . 0 0 "[ . 1 . 2]" 1 1211 1 76 PRO HD3 1 87 ALA H 5.500 . 6.000 5.568 5.500 5.617 . 0 0 "[ . 1 . 2]" 1 1212 1 76 PRO HD3 1 87 ALA HA 4.070 . 4.570 2.830 2.785 2.892 . 0 0 "[ . 1 . 2]" 1 1213 1 76 PRO HD3 1 87 ALA MB 6.140 . 6.640 4.042 3.860 4.158 . 0 0 "[ . 1 . 2]" 1 1214 1 76 PRO HD3 1 88 PHE H 4.870 . 5.370 3.960 3.816 4.059 . 0 0 "[ . 1 . 2]" 1 1215 1 76 PRO HD3 1 88 PHE QD 5.440 . 5.940 2.621 2.358 2.944 . 0 0 "[ . 1 . 2]" 1 1216 1 76 PRO HG2 1 87 ALA HA 5.500 . 6.000 3.890 3.622 4.047 . 0 0 "[ . 1 . 2]" 1 1217 1 76 PRO HG2 1 88 PHE QD 5.070 . 5.570 3.530 3.165 3.994 . 0 0 "[ . 1 . 2]" 1 1218 1 76 PRO HG3 1 77 VAL H 5.030 . 5.530 4.915 4.779 5.026 . 0 0 "[ . 1 . 2]" 1 1219 1 76 PRO HG3 1 84 THR MG 5.740 . 6.240 4.883 4.780 5.010 . 0 0 "[ . 1 . 2]" 1 1220 1 76 PRO HG3 1 87 ALA HA 4.580 . 5.080 4.637 4.479 4.727 . 0 0 "[ . 1 . 2]" 1 1221 1 76 PRO HG3 1 88 PHE QD 5.100 . 5.600 3.251 2.958 3.433 . 0 0 "[ . 1 . 2]" 1 1222 1 77 VAL H 1 77 VAL HB 4.040 . 4.540 3.900 3.867 3.941 . 0 0 "[ . 1 . 2]" 1 1223 1 77 VAL H 1 77 VAL MG1 4.500 . 5.000 3.205 3.142 3.270 . 0 0 "[ . 1 . 2]" 1 1224 1 77 VAL H 1 77 VAL MG2 3.980 . 4.480 2.366 2.296 2.451 . 0 0 "[ . 1 . 2]" 1 1225 1 77 VAL H 1 78 ASP H 4.610 . 5.110 4.421 4.400 4.440 . 0 0 "[ . 1 . 2]" 1 1226 1 77 VAL H 1 84 THR MG 6.200 . 6.700 3.331 3.117 3.841 . 0 0 "[ . 1 . 2]" 1 1227 1 77 VAL HA 1 78 ASP H 3.270 . 3.770 2.346 2.290 2.392 . 0 0 "[ . 1 . 2]" 1 1228 1 77 VAL HA 1 82 LYS H 4.980 . 5.480 4.787 4.504 4.987 . 0 0 "[ . 1 . 2]" 1 1229 1 77 VAL HA 1 83 ILE H 4.840 . 5.340 4.472 4.379 4.666 . 0 0 "[ . 1 . 2]" 1 1230 1 77 VAL HA 1 83 ILE HA 3.610 . 4.110 2.192 2.000 2.446 . 0 0 "[ . 1 . 2]" 1 1231 1 77 VAL HA 1 83 ILE HB 5.120 . 5.620 4.562 4.301 4.960 . 0 0 "[ . 1 . 2]" 1 1232 1 77 VAL HA 1 83 ILE MG 5.460 . 5.960 3.668 3.457 4.019 . 0 0 "[ . 1 . 2]" 1 1233 1 77 VAL HA 1 84 THR H 4.170 . 4.670 3.284 2.832 4.109 . 0 0 "[ . 1 . 2]" 1 1234 1 77 VAL HA 1 84 THR MG 5.070 . 5.570 2.282 2.041 2.521 . 0 0 "[ . 1 . 2]" 1 1235 1 77 VAL HB 1 78 ASP H 3.470 . 3.970 2.317 2.213 2.434 . 0 0 "[ . 1 . 2]" 1 1236 1 77 VAL HB 1 78 ASP HB3 5.500 . 6.000 5.630 5.581 5.667 . 0 0 "[ . 1 . 2]" 1 1237 1 77 VAL HB 1 81 GLY H 4.200 . 4.700 3.442 3.258 3.536 . 0 0 "[ . 1 . 2]" 1 1238 1 77 VAL HB 1 81 GLY HA3 3.970 . 4.470 4.027 3.857 4.110 . 0 0 "[ . 1 . 2]" 1 1239 1 77 VAL HB 1 82 LYS H 4.260 . 4.760 3.399 3.126 3.672 . 0 0 "[ . 1 . 2]" 1 1240 1 77 VAL HB 1 82 LYS HA 5.250 . 5.750 4.324 3.974 4.738 . 0 0 "[ . 1 . 2]" 1 1241 1 77 VAL HB 1 83 ILE HA 5.290 . 5.790 3.691 3.544 3.879 . 0 0 "[ . 1 . 2]" 1 1242 1 77 VAL HB 1 83 ILE MG 6.610 . 7.110 4.213 3.999 4.490 . 0 0 "[ . 1 . 2]" 1 1243 1 77 VAL HB 1 84 THR MG 6.610 . 7.110 4.313 4.065 4.577 . 0 0 "[ . 1 . 2]" 1 1244 1 77 VAL MG1 1 78 ASP H 4.770 . 5.270 3.529 3.473 3.598 . 0 0 "[ . 1 . 2]" 1 1245 1 77 VAL MG1 1 81 GLY HA3 5.200 . 5.700 4.232 3.934 4.352 . 0 0 "[ . 1 . 2]" 1 1246 1 77 VAL MG1 1 82 LYS H 5.620 . 6.120 4.286 4.015 4.567 . 0 0 "[ . 1 . 2]" 1 1247 1 77 VAL MG1 1 82 LYS HA 5.440 . 5.940 3.771 3.258 4.347 . 0 0 "[ . 1 . 2]" 1 1248 1 77 VAL MG1 1 83 ILE H 5.180 . 5.680 3.503 3.187 4.322 . 0 0 "[ . 1 . 2]" 1 1249 1 77 VAL MG1 1 83 ILE HA 4.540 . 5.040 2.030 1.907 2.208 . 0 0 "[ . 1 . 2]" 1 1250 1 77 VAL MG1 1 83 ILE HB 5.840 . 6.340 3.817 3.661 3.979 . 0 0 "[ . 1 . 2]" 1 1251 1 77 VAL MG1 1 83 ILE HG13 5.630 . 6.130 4.891 4.814 5.065 . 0 0 "[ . 1 . 2]" 1 1252 1 77 VAL MG1 1 83 ILE MG 4.830 . 5.330 2.084 1.950 2.296 . 0 0 "[ . 1 . 2]" 1 1253 1 77 VAL MG1 1 84 THR MG 6.720 . 7.220 3.783 3.554 3.930 . 0 0 "[ . 1 . 2]" 1 1254 1 77 VAL MG2 1 78 ASP H 4.980 . 5.480 3.504 3.396 3.644 . 0 0 "[ . 1 . 2]" 1 1255 1 77 VAL MG2 1 79 PRO HA 6.570 . 7.070 4.708 4.506 4.864 . 0 0 "[ . 1 . 2]" 1 1256 1 77 VAL MG2 1 81 GLY H 5.240 . 5.740 3.780 3.628 3.939 . 0 0 "[ . 1 . 2]" 1 1257 1 77 VAL MG2 1 81 GLY HA3 4.910 . 5.410 4.068 3.903 4.179 . 0 0 "[ . 1 . 2]" 1 1258 1 77 VAL MG2 1 82 LYS H 5.460 . 5.960 4.629 4.461 4.799 . 0 0 "[ . 1 . 2]" 1 1259 1 77 VAL MG2 1 83 ILE HA 6.610 . 7.110 4.472 4.402 4.701 . 0 0 "[ . 1 . 2]" 1 1260 1 78 ASP H 1 78 ASP HB2 4.040 . 4.540 2.446 2.417 2.496 . 0 0 "[ . 1 . 2]" 1 1261 1 78 ASP H 1 78 ASP HB3 3.750 . 4.250 3.605 3.577 3.619 . 0 0 "[ . 1 . 2]" 1 1262 1 78 ASP H 1 79 PRO HD2 5.210 . 5.710 5.051 5.031 5.085 . 0 0 "[ . 1 . 2]" 1 1263 1 78 ASP H 1 79 PRO HD3 5.270 . 5.770 4.843 4.780 4.884 . 0 0 "[ . 1 . 2]" 1 1264 1 78 ASP H 1 80 GLU H 4.890 . 5.390 4.165 3.839 4.274 . 0 0 "[ . 1 . 2]" 1 1265 1 78 ASP H 1 81 GLY HA3 5.100 . 5.600 5.300 5.231 5.397 . 0 0 "[ . 1 . 2]" 1 1266 1 78 ASP H 1 82 LYS H 4.020 . 4.520 3.018 2.835 3.148 . 0 0 "[ . 1 . 2]" 1 1267 1 78 ASP H 1 82 LYS HA 4.660 . 5.160 4.476 4.371 4.544 . 0 0 "[ . 1 . 2]" 1 1268 1 78 ASP H 1 82 LYS HB2 5.280 . 5.780 4.756 3.229 5.298 . 0 0 "[ . 1 . 2]" 1 1269 1 78 ASP H 1 82 LYS HB3 5.350 . 5.850 4.189 3.042 5.145 . 0 0 "[ . 1 . 2]" 1 1270 1 78 ASP H 1 83 ILE H 4.520 . 5.020 4.774 4.625 4.843 . 0 0 "[ . 1 . 2]" 1 1271 1 78 ASP H 1 83 ILE HA 3.710 . 4.210 3.809 3.657 4.026 . 0 0 "[ . 1 . 2]" 1 1272 1 78 ASP H 1 83 ILE MG 6.230 . 6.730 5.004 4.765 5.207 . 0 0 "[ . 1 . 2]" 1 1273 1 78 ASP H 1 84 THR H 4.610 . 5.110 4.303 3.529 4.731 . 0 0 "[ . 1 . 2]" 1 1274 1 78 ASP H 1 84 THR MG 5.340 . 5.840 3.196 2.688 3.488 . 0 0 "[ . 1 . 2]" 1 1275 1 78 ASP HA 1 79 PRO HD2 3.760 . 4.260 3.281 3.197 3.321 . 0 0 "[ . 1 . 2]" 1 1276 1 78 ASP HA 1 79 PRO HD3 3.660 . 4.160 2.226 2.137 2.261 . 0 0 "[ . 1 . 2]" 1 1277 1 78 ASP HA 1 82 LYS H 5.110 . 5.610 5.198 5.067 5.328 . 0 0 "[ . 1 . 2]" 1 1278 1 78 ASP HB2 1 79 PRO HA 5.120 . 5.620 5.184 5.143 5.216 . 0 0 "[ . 1 . 2]" 1 1279 1 78 ASP HB2 1 79 PRO HB2 5.320 . 5.820 5.263 5.208 5.315 . 0 0 "[ . 1 . 2]" 1 1280 1 78 ASP HB2 1 79 PRO HD2 3.960 . 4.460 3.291 3.228 3.336 . 0 0 "[ . 1 . 2]" 1 1281 1 78 ASP HB2 1 79 PRO HD3 3.950 . 4.450 3.879 3.841 3.954 . 0 0 "[ . 1 . 2]" 1 1282 1 78 ASP HB2 1 79 PRO HG2 5.290 . 5.790 5.592 5.541 5.626 . 0 0 "[ . 1 . 2]" 1 1283 1 78 ASP HB2 1 80 GLU H 4.810 . 5.310 2.567 2.436 2.638 . 0 0 "[ . 1 . 2]" 1 1284 1 78 ASP HB2 1 82 LYS H 5.500 . 6.000 2.902 2.632 3.070 . 0 0 "[ . 1 . 2]" 1 1285 1 78 ASP HB2 1 84 THR MG 5.280 . 5.780 4.330 3.920 4.535 . 0 0 "[ . 1 . 2]" 1 1286 1 78 ASP HB3 1 79 PRO HA 4.860 . 5.360 4.884 4.846 4.928 . 0 0 "[ . 1 . 2]" 1 1287 1 78 ASP HB3 1 79 PRO HD2 3.990 . 4.490 1.937 1.918 1.966 . 0 0 "[ . 1 . 2]" 1 1288 1 78 ASP HB3 1 79 PRO HD3 3.970 . 4.470 2.485 2.440 2.565 . 0 0 "[ . 1 . 2]" 1 1289 1 78 ASP HB3 1 79 PRO HG2 4.270 . 4.770 4.199 4.183 4.217 . 0 0 "[ . 1 . 2]" 1 1290 1 78 ASP HB3 1 80 GLU H 4.890 . 5.390 2.900 2.718 3.152 . 0 0 "[ . 1 . 2]" 1 1291 1 78 ASP HB3 1 80 GLU HB3 4.130 . 4.630 4.117 3.875 4.220 . 0 0 "[ . 1 . 2]" 1 1292 1 78 ASP HB3 1 81 GLY H 5.500 . 6.000 4.516 4.299 4.676 . 0 0 "[ . 1 . 2]" 1 1293 1 78 ASP HB3 1 82 LYS H 5.460 . 5.960 4.575 4.336 4.713 . 0 0 "[ . 1 . 2]" 1 1294 1 78 ASP HB3 1 84 THR MG 5.500 . 6.000 4.531 4.238 4.713 . 0 0 "[ . 1 . 2]" 1 1295 1 79 PRO HA 1 81 GLY H 4.480 . 4.980 3.669 3.528 3.931 . 0 0 "[ . 1 . 2]" 1 1296 1 79 PRO HB2 1 80 GLU H 4.560 . 5.060 3.181 3.081 3.626 . 0 0 "[ . 1 . 2]" 1 1297 1 79 PRO HB3 1 80 GLU H 4.270 . 4.770 4.343 4.289 4.547 . 0 0 "[ . 1 . 2]" 1 1298 1 79 PRO HD2 1 80 GLU H 4.810 . 5.310 2.724 2.626 3.162 . 0 0 "[ . 1 . 2]" 1 1299 1 79 PRO HD3 1 80 GLU H 4.570 . 5.070 3.844 3.800 4.004 . 0 0 "[ . 1 . 2]" 1 1300 1 79 PRO HD3 1 80 GLU HB2 5.500 . 6.000 5.679 5.651 5.707 . 0 0 "[ . 1 . 2]" 1 1301 1 79 PRO HG3 1 80 GLU H 5.500 . 6.000 4.708 4.662 4.896 . 0 0 "[ . 1 . 2]" 1 1302 1 80 GLU H 1 80 GLU HB2 3.120 . 3.620 2.434 2.329 2.866 . 0 0 "[ . 1 . 2]" 1 1303 1 80 GLU H 1 80 GLU HB3 3.320 . 3.820 2.559 2.496 2.677 . 0 0 "[ . 1 . 2]" 1 1304 1 80 GLU H 1 81 GLY H 3.150 . 3.650 2.428 2.013 2.558 . 0 0 "[ . 1 . 2]" 1 1305 1 80 GLU H 1 82 LYS HB3 5.470 . 5.970 4.931 3.943 5.654 . 0 0 "[ . 1 . 2]" 1 1306 1 80 GLU HA 1 80 GLU HB2 2.710 . 3.210 2.565 2.539 2.610 . 0 0 "[ . 1 . 2]" 1 1307 1 80 GLU HA 1 80 GLU HB3 2.950 . 3.450 3.036 3.025 3.040 . 0 0 "[ . 1 . 2]" 1 1308 1 80 GLU HA 1 80 GLU QG 3.180 . 3.680 2.454 2.213 2.867 . 0 0 "[ . 1 . 2]" 1 1309 1 80 GLU HA 1 81 GLY HA3 5.500 . 6.000 4.590 4.513 4.656 . 0 0 "[ . 1 . 2]" 1 1310 1 80 GLU HB2 1 81 GLY H 4.370 . 4.870 4.183 4.111 4.318 . 0 0 "[ . 1 . 2]" 1 1311 1 80 GLU HB2 1 82 LYS H 4.330 . 4.830 4.155 3.868 4.425 . 0 0 "[ . 1 . 2]" 1 1312 1 80 GLU HB2 1 82 LYS HD3 4.710 . 5.210 4.403 3.714 4.943 . 0 0 "[ . 1 . 2]" 1 1313 1 80 GLU HB3 1 81 GLY H 4.120 . 4.620 3.414 3.253 3.663 . 0 0 "[ . 1 . 2]" 1 1314 1 80 GLU HB3 1 81 GLY HA2 5.500 . 6.000 5.168 5.022 5.400 . 0 0 "[ . 1 . 2]" 1 1315 1 80 GLU HB3 1 81 GLY HA3 5.500 . 6.000 4.912 4.805 5.064 . 0 0 "[ . 1 . 2]" 1 1316 1 80 GLU HB3 1 82 LYS H 4.560 . 5.060 2.543 2.216 2.840 . 0 0 "[ . 1 . 2]" 1 1317 1 80 GLU HB3 1 82 LYS HG2 5.200 . 5.700 3.870 2.304 5.060 . 0 0 "[ . 1 . 2]" 1 1318 1 80 GLU QG 1 81 GLY HA2 6.170 . 6.670 5.567 5.531 5.640 . 0 0 "[ . 1 . 2]" 1 1319 1 80 GLU QG 1 82 LYS H 5.280 . 5.780 3.755 3.407 4.025 . 0 0 "[ . 1 . 2]" 1 1320 1 81 GLY H 1 82 LYS H 3.310 . 3.810 2.490 2.432 2.554 . 0 0 "[ . 1 . 2]" 1 1321 1 81 GLY HA3 1 82 LYS HA 5.500 . 6.000 4.587 4.522 4.656 . 0 0 "[ . 1 . 2]" 1 1322 1 82 LYS H 1 82 LYS HB2 4.120 . 4.620 2.942 2.118 3.733 . 0 0 "[ . 1 . 2]" 1 1323 1 82 LYS H 1 82 LYS HB3 3.260 . 3.760 2.620 2.129 3.481 . 0 0 "[ . 1 . 2]" 1 1324 1 82 LYS H 1 82 LYS HD2 5.190 . 5.690 4.694 3.558 5.028 . 0 0 "[ . 1 . 2]" 1 1325 1 82 LYS H 1 82 LYS HD3 5.500 . 6.000 4.205 3.719 4.739 . 0 0 "[ . 1 . 2]" 1 1326 1 82 LYS H 1 82 LYS HG2 4.640 . 5.140 3.367 1.993 4.398 . 0 0 "[ . 1 . 2]" 1 1327 1 82 LYS H 1 82 LYS HG3 3.970 . 4.470 3.776 2.634 4.458 . 0 0 "[ . 1 . 2]" 1 1328 1 82 LYS H 1 83 ILE H 4.750 . 5.250 4.559 4.514 4.635 . 0 0 "[ . 1 . 2]" 1 1329 1 82 LYS H 1 83 ILE MG 6.610 . 7.110 5.404 5.011 5.573 . 0 0 "[ . 1 . 2]" 1 1330 1 82 LYS HA 1 82 LYS HD2 5.500 . 6.000 4.465 3.952 4.760 . 0 0 "[ . 1 . 2]" 1 1331 1 82 LYS HA 1 82 LYS HD3 4.940 . 5.440 4.663 4.462 4.815 . 0 0 "[ . 1 . 2]" 1 1332 1 82 LYS HA 1 82 LYS HE3 5.500 . 6.000 5.535 4.686 6.000 . 0 0 "[ . 1 . 2]" 1 1333 1 82 LYS HA 1 82 LYS HG2 3.740 . 4.240 3.313 2.327 3.743 . 0 0 "[ . 1 . 2]" 1 1334 1 82 LYS HA 1 82 LYS HG3 3.800 . 4.300 3.025 2.314 3.750 . 0 0 "[ . 1 . 2]" 1 1335 1 82 LYS HA 1 83 ILE H 3.020 . 3.520 2.250 2.112 2.542 . 0 0 "[ . 1 . 2]" 1 1336 1 82 LYS HA 1 83 ILE HB 5.500 . 6.000 5.651 5.569 5.731 . 0 0 "[ . 1 . 2]" 1 1337 1 82 LYS HA 1 83 ILE HG13 4.670 . 5.170 4.694 4.117 4.860 . 0 0 "[ . 1 . 2]" 1 1338 1 82 LYS HA 1 83 ILE MG 4.860 . 5.360 3.594 3.196 3.928 . 0 0 "[ . 1 . 2]" 1 1339 1 82 LYS HB2 1 82 LYS HD2 4.140 . 4.640 2.577 2.320 3.698 . 0 0 "[ . 1 . 2]" 1 1340 1 82 LYS HB2 1 83 ILE H 3.790 . 4.290 3.563 2.666 4.205 . 0 0 "[ . 1 . 2]" 1 1341 1 82 LYS HB3 1 82 LYS HD3 3.840 . 4.340 2.502 2.342 3.311 . 0 0 "[ . 1 . 2]" 1 1342 1 82 LYS HB3 1 83 ILE H 4.290 . 4.790 3.884 2.412 4.297 . 0 0 "[ . 1 . 2]" 1 1343 1 82 LYS HD2 1 83 ILE H 5.300 . 5.800 5.249 4.901 5.634 . 0 0 "[ . 1 . 2]" 1 1344 1 82 LYS HD3 1 83 ILE H 5.500 . 6.000 5.541 4.938 5.812 . 0 0 "[ . 1 . 2]" 1 1345 1 82 LYS QE 2 1 A Q5' 6.300 . 6.800 4.142 2.070 5.131 . 0 0 "[ . 1 . 2]" 1 1346 1 82 LYS QE 2 1 A H8 5.610 . 6.110 5.060 3.913 5.520 . 0 0 "[ . 1 . 2]" 1 1347 1 82 LYS QG 2 1 A H2 5.050 . 5.550 3.479 1.968 4.679 . 0 0 "[ . 1 . 2]" 1 1348 1 82 LYS HG2 1 83 ILE H 4.690 . 5.190 3.773 2.988 4.680 . 0 0 "[ . 1 . 2]" 1 1349 1 82 LYS HG3 1 83 ILE H 4.180 . 4.680 3.472 2.659 4.527 . 0 0 "[ . 1 . 2]" 1 1350 1 83 ILE H 1 83 ILE HB 4.060 . 4.560 3.626 3.570 3.763 . 0 0 "[ . 1 . 2]" 1 1351 1 83 ILE H 1 83 ILE MD 5.020 . 5.520 3.703 3.626 3.860 . 0 0 "[ . 1 . 2]" 1 1352 1 83 ILE H 1 83 ILE HG12 3.660 . 4.160 2.082 1.941 2.598 . 0 0 "[ . 1 . 2]" 1 1353 1 83 ILE H 1 83 ILE MG 4.300 . 4.800 2.514 2.291 3.287 . 0 0 "[ . 1 . 2]" 1 1354 1 83 ILE H 1 84 THR H 5.030 . 5.530 3.792 2.331 4.664 . 0 0 "[ . 1 . 2]" 1 1355 1 83 ILE H 1 84 THR MG 6.610 . 7.110 4.969 4.269 5.403 . 0 0 "[ . 1 . 2]" 1 1356 1 83 ILE HA 1 84 THR H 3.240 . 3.740 2.646 2.199 3.243 . 0 0 "[ . 1 . 2]" 1 1357 1 83 ILE HA 1 85 GLY H 4.050 . 4.550 3.962 3.833 4.096 . 0 0 "[ . 1 . 2]" 1 1358 1 83 ILE HB 1 84 THR H 4.190 . 4.690 3.374 2.554 4.320 . 0 0 "[ . 1 . 2]" 1 1359 1 83 ILE HB 1 84 THR MG 6.610 . 7.110 4.308 4.160 4.451 . 0 0 "[ . 1 . 2]" 1 1360 1 83 ILE HB 1 85 GLY H 4.580 . 5.080 2.780 2.387 3.314 . 0 0 "[ . 1 . 2]" 1 1361 1 83 ILE HB 1 85 GLY HA2 4.260 . 4.760 4.304 3.967 4.541 . 0 0 "[ . 1 . 2]" 1 1362 1 83 ILE MD 1 84 THR H 5.490 . 5.990 4.528 4.258 4.760 . 0 0 "[ . 1 . 2]" 1 1363 1 83 ILE MD 1 85 GLY H 5.620 . 6.120 3.055 2.881 3.200 . 0 0 "[ . 1 . 2]" 1 1364 1 83 ILE MD 1 85 GLY HA2 6.380 . 6.880 3.025 2.588 3.159 . 0 0 "[ . 1 . 2]" 1 1365 1 83 ILE MD 1 85 GLY HA3 5.450 . 5.950 4.509 4.071 4.645 . 0 0 "[ . 1 . 2]" 1 1366 1 83 ILE MD 1 86 GLU H 6.610 . 7.110 4.117 3.647 4.515 . 0 0 "[ . 1 . 2]" 1 1367 1 83 ILE HG12 1 84 THR H 5.500 . 6.000 4.733 4.149 5.130 . 0 0 "[ . 1 . 2]" 1 1368 1 83 ILE HG12 1 85 GLY H 5.320 . 5.820 4.362 3.682 4.821 . 0 0 "[ . 1 . 2]" 1 1369 1 83 ILE MG 1 84 THR H 5.190 . 5.690 3.834 3.378 4.385 . 0 0 "[ . 1 . 2]" 1 1370 1 83 ILE MG 1 84 THR HA 6.610 . 7.110 5.727 5.509 5.988 . 0 0 "[ . 1 . 2]" 1 1371 1 83 ILE MG 1 84 THR MG 5.940 . 6.440 4.315 4.247 4.416 . 0 0 "[ . 1 . 2]" 1 1372 1 83 ILE MG 1 85 GLY H 5.450 . 5.950 4.260 4.035 4.451 . 0 0 "[ . 1 . 2]" 1 1373 1 84 THR H 1 84 THR MG 4.340 . 4.840 2.317 1.939 2.759 . 0 0 "[ . 1 . 2]" 1 1374 1 84 THR H 1 85 GLY H 4.230 . 4.730 2.812 2.452 3.166 . 0 0 "[ . 1 . 2]" 1 1375 1 84 THR H 1 85 GLY HA3 5.500 . 6.000 5.255 5.152 5.335 . 0 0 "[ . 1 . 2]" 1 1376 1 84 THR H 1 86 GLU H 5.100 . 5.600 4.184 3.448 5.122 . 0 0 "[ . 1 . 2]" 1 1377 1 84 THR HA 1 85 GLY HA2 4.990 . 5.490 5.041 4.946 5.130 . 0 0 "[ . 1 . 2]" 1 1378 1 84 THR HA 1 85 GLY HA3 5.490 . 5.990 4.528 4.498 4.557 . 0 0 "[ . 1 . 2]" 1 1379 1 84 THR HA 1 86 GLU H 5.180 . 5.680 4.603 4.400 4.843 . 0 0 "[ . 1 . 2]" 1 1380 1 84 THR HB 1 85 GLY H 5.020 . 5.520 4.373 4.300 4.487 . 0 0 "[ . 1 . 2]" 1 1381 1 84 THR HB 1 85 GLY HA3 5.500 . 6.000 5.257 5.007 5.537 . 0 0 "[ . 1 . 2]" 1 1382 1 84 THR HB 1 86 GLU H 5.300 . 5.800 4.293 3.993 4.576 . 0 0 "[ . 1 . 2]" 1 1383 1 84 THR HB 1 86 GLU HG2 5.500 . 6.000 3.643 2.999 4.224 . 0 0 "[ . 1 . 2]" 1 1384 1 84 THR HB 1 86 GLU HG3 5.500 . 6.000 4.860 4.215 5.525 . 0 0 "[ . 1 . 2]" 1 1385 1 84 THR MG 1 85 GLY H 6.100 . 6.600 3.968 3.673 4.191 . 0 0 "[ . 1 . 2]" 1 1386 1 84 THR MG 1 86 GLU H 6.330 . 6.830 4.292 4.024 4.481 . 0 0 "[ . 1 . 2]" 1 1387 1 85 GLY H 1 86 GLU H 3.650 . 4.150 2.422 2.242 2.726 . 0 0 "[ . 1 . 2]" 1 1388 1 86 GLU H 1 86 GLU HB3 3.930 . 4.430 3.309 3.197 3.350 . 0 0 "[ . 1 . 2]" 1 1389 1 86 GLU H 1 86 GLU HG2 4.480 . 4.980 2.454 2.333 2.587 . 0 0 "[ . 1 . 2]" 1 1390 1 86 GLU H 1 86 GLU HG3 4.510 . 5.010 3.157 3.035 3.475 . 0 0 "[ . 1 . 2]" 1 1391 1 86 GLU H 1 87 ALA H 5.500 . 6.000 4.441 4.418 4.479 . 0 0 "[ . 1 . 2]" 1 1392 1 86 GLU HA 1 86 GLU HG3 4.080 . 4.580 3.743 3.702 3.766 . 0 0 "[ . 1 . 2]" 1 1393 1 86 GLU HA 1 87 ALA H 3.430 . 3.930 2.472 2.428 2.536 . 0 0 "[ . 1 . 2]" 1 1394 1 86 GLU HA 1 87 ALA MB 5.620 . 6.120 3.660 3.611 3.695 . 0 0 "[ . 1 . 2]" 1 1395 1 86 GLU HB2 1 87 ALA H 4.040 . 4.540 2.315 2.238 2.503 . 0 0 "[ . 1 . 2]" 1 1396 1 86 GLU HB3 1 87 ALA H 4.100 . 4.600 3.732 3.643 3.862 . 0 0 "[ . 1 . 2]" 1 1397 1 86 GLU HG2 1 87 ALA H 5.450 . 5.950 4.593 4.392 4.786 . 0 0 "[ . 1 . 2]" 1 1398 1 86 GLU HG3 1 87 ALA H 4.770 . 5.270 3.524 3.187 3.775 . 0 0 "[ . 1 . 2]" 1 1399 1 87 ALA H 1 88 PHE H 5.040 . 5.540 4.365 4.340 4.381 . 0 0 "[ . 1 . 2]" 1 1400 1 87 ALA H 1 88 PHE QD 6.170 . 6.670 4.886 4.751 5.036 . 0 0 "[ . 1 . 2]" 1 1401 1 87 ALA HA 1 88 PHE H 3.420 . 3.920 2.576 2.534 2.638 . 0 0 "[ . 1 . 2]" 1 1402 1 87 ALA HA 1 88 PHE HA 5.380 . 5.880 4.551 4.527 4.570 . 0 0 "[ . 1 . 2]" 1 1403 1 87 ALA HA 1 88 PHE HB3 5.210 . 5.710 5.512 5.478 5.556 . 0 0 "[ . 1 . 2]" 1 1404 1 87 ALA HA 1 88 PHE QD 5.080 . 5.580 3.348 2.882 3.967 . 0 0 "[ . 1 . 2]" 1 1405 1 87 ALA MB 1 88 PHE H 4.490 . 4.990 2.049 1.991 2.124 . 0 0 "[ . 1 . 2]" 1 1406 1 87 ALA MB 1 88 PHE HA 6.150 . 6.650 3.983 3.952 4.028 . 0 0 "[ . 1 . 2]" 1 1407 1 87 ALA MB 1 88 PHE QD 7.210 . 7.710 4.344 4.104 4.597 . 0 0 "[ . 1 . 2]" 1 1408 1 88 PHE H 1 88 PHE HB3 4.200 . 4.700 3.830 3.806 3.848 . 0 0 "[ . 1 . 2]" 1 1409 1 88 PHE H 1 88 PHE QD 4.530 . 5.030 3.362 3.109 3.673 . 0 0 "[ . 1 . 2]" 1 1410 1 88 PHE H 1 89 VAL MG1 6.610 . 7.110 5.751 5.657 5.845 . 0 0 "[ . 1 . 2]" 1 1411 1 88 PHE H 1 123 VAL MG2 6.610 . 7.110 4.372 4.274 4.491 . 0 0 "[ . 1 . 2]" 1 1412 1 88 PHE HA 1 89 VAL H 3.310 . 3.810 2.300 2.270 2.333 . 0 0 "[ . 1 . 2]" 1 1413 1 88 PHE HA 1 89 VAL HB 5.140 . 5.640 4.406 4.191 4.749 . 0 0 "[ . 1 . 2]" 1 1414 1 88 PHE HA 1 89 VAL MG2 6.610 . 7.110 3.418 3.323 3.691 . 0 0 "[ . 1 . 2]" 1 1415 1 88 PHE HA 1 123 VAL MG1 6.390 . 6.890 5.397 5.361 5.447 . 0 0 "[ . 1 . 2]" 1 1416 1 88 PHE HA 1 123 VAL MG2 6.610 . 7.110 4.260 4.172 4.427 . 0 0 "[ . 1 . 2]" 1 1417 1 88 PHE HB2 1 89 VAL H 4.390 . 4.890 3.925 3.849 4.005 . 0 0 "[ . 1 . 2]" 1 1418 1 88 PHE HB2 1 123 VAL MG1 5.220 . 5.720 4.402 4.367 4.440 . 0 0 "[ . 1 . 2]" 1 1419 1 88 PHE HB2 1 123 VAL MG2 5.550 . 6.050 2.247 2.175 2.439 . 0 0 "[ . 1 . 2]" 1 1420 1 88 PHE HB3 1 89 VAL H 4.700 . 5.200 2.895 2.759 3.004 . 0 0 "[ . 1 . 2]" 1 1421 1 88 PHE HB3 1 123 VAL HB 5.500 . 6.000 2.329 2.239 2.470 . 0 0 "[ . 1 . 2]" 1 1422 1 88 PHE HB3 1 123 VAL MG1 5.690 . 6.190 3.555 3.507 3.615 . 0 0 "[ . 1 . 2]" 1 1423 1 88 PHE HB3 1 123 VAL MG2 5.450 . 5.950 2.436 2.324 2.598 . 0 0 "[ . 1 . 2]" 1 1424 1 88 PHE QD 1 89 VAL H 5.690 . 6.190 3.990 3.841 4.148 . 0 0 "[ . 1 . 2]" 1 1425 1 88 PHE QD 1 118 SER HB2 5.470 . 5.970 3.546 3.165 4.003 . 0 0 "[ . 1 . 2]" 1 1426 1 88 PHE QD 1 118 SER HB3 5.380 . 5.880 3.883 3.624 4.434 . 0 0 "[ . 1 . 2]" 1 1427 1 88 PHE QD 1 122 GLU HA 5.840 . 6.340 5.310 5.100 5.385 . 0 0 "[ . 1 . 2]" 1 1428 1 88 PHE QD 1 122 GLU HB2 5.110 . 5.610 3.806 3.405 4.298 . 0 0 "[ . 1 . 2]" 1 1429 1 88 PHE QD 1 122 GLU HB3 4.250 . 4.750 3.312 2.956 3.572 . 0 0 "[ . 1 . 2]" 1 1430 1 88 PHE QD 1 122 GLU QG 5.960 . 6.460 4.710 4.505 4.884 . 0 0 "[ . 1 . 2]" 1 1431 1 88 PHE QD 1 123 VAL MG1 6.890 . 7.390 4.559 4.311 4.852 . 0 0 "[ . 1 . 2]" 1 1432 1 88 PHE QD 1 123 VAL MG2 5.420 . 5.920 3.456 3.159 3.689 . 0 0 "[ . 1 . 2]" 1 1433 1 88 PHE HZ 1 122 GLU HA 5.260 . 5.760 5.156 4.763 5.300 . 0 0 "[ . 1 . 2]" 1 1434 1 88 PHE HZ 1 122 GLU QG 6.170 . 6.670 4.968 4.407 5.512 . 0 0 "[ . 1 . 2]" 1 1435 1 89 VAL H 1 89 VAL HB 4.060 . 4.560 2.818 2.703 2.994 . 0 0 "[ . 1 . 2]" 1 1436 1 89 VAL H 1 90 GLN H 5.060 . 5.560 4.389 4.372 4.403 . 0 0 "[ . 1 . 2]" 1 1437 1 89 VAL HA 1 90 GLN H 3.340 . 3.840 2.349 2.280 2.382 . 0 0 "[ . 1 . 2]" 1 1438 1 89 VAL HB 1 90 GLN H 5.100 . 5.600 3.697 3.396 3.932 . 0 0 "[ . 1 . 2]" 1 1439 1 89 VAL HB 1 91 PHE QD 6.170 . 6.670 4.485 4.137 4.688 . 0 0 "[ . 1 . 2]" 1 1440 1 89 VAL HB 1 91 PHE QE 5.200 . 5.700 4.157 3.858 4.362 . 0 0 "[ . 1 . 2]" 1 1441 1 89 VAL MG1 1 90 GLN H 5.320 . 5.820 1.992 1.914 2.086 . 0 0 "[ . 1 . 2]" 1 1442 1 89 VAL MG1 1 91 PHE QE 6.770 . 7.270 3.421 3.303 3.737 . 0 0 "[ . 1 . 2]" 1 1443 1 89 VAL MG2 1 90 GLN H 4.880 . 5.380 3.735 3.559 3.910 . 0 0 "[ . 1 . 2]" 1 1444 1 89 VAL MG2 1 90 GLN HA 6.000 . 6.500 5.361 5.283 5.400 . 0 0 "[ . 1 . 2]" 1 1445 1 89 VAL MG2 1 91 PHE H 6.390 . 6.890 5.456 5.333 5.675 . 0 0 "[ . 1 . 2]" 1 1446 1 89 VAL MG2 1 91 PHE QD 6.790 . 7.290 5.067 4.874 5.160 . 0 0 "[ . 1 . 2]" 1 1447 1 89 VAL MG2 1 91 PHE QE 6.120 . 6.620 4.316 4.034 4.425 . 0 0 "[ . 1 . 2]" 1 1448 1 90 GLN H 1 90 GLN HB2 3.770 . 4.270 3.233 3.188 3.268 . 0 0 "[ . 1 . 2]" 1 1449 1 90 GLN H 1 90 GLN HG3 5.270 . 5.770 4.586 4.553 4.618 . 0 0 "[ . 1 . 2]" 1 1450 1 90 GLN H 1 91 PHE H 4.910 . 5.410 3.902 3.802 4.118 . 0 0 "[ . 1 . 2]" 1 1451 1 90 GLN HA 1 90 GLN HE21 5.160 . 5.660 4.443 4.249 4.533 . 0 0 "[ . 1 . 2]" 1 1452 1 90 GLN HA 1 90 GLN HE22 5.320 . 5.820 5.562 5.443 5.630 . 0 0 "[ . 1 . 2]" 1 1453 1 90 GLN HA 1 90 GLN HG2 4.170 . 4.670 3.119 3.078 3.158 . 0 0 "[ . 1 . 2]" 1 1454 1 90 GLN HA 1 90 GLN HG3 3.980 . 4.480 2.246 2.176 2.283 . 0 0 "[ . 1 . 2]" 1 1455 1 90 GLN HA 1 91 PHE H 3.400 . 3.900 2.162 2.088 2.219 . 0 0 "[ . 1 . 2]" 1 1456 1 90 GLN HA 1 91 PHE HB3 5.430 . 5.930 5.616 5.562 5.662 . 0 0 "[ . 1 . 2]" 1 1457 1 90 GLN HA 1 91 PHE QD 5.380 . 5.880 4.646 4.510 4.749 . 0 0 "[ . 1 . 2]" 1 1458 1 90 GLN HB2 1 91 PHE H 5.500 . 6.000 4.489 4.349 4.550 . 0 0 "[ . 1 . 2]" 1 1459 1 90 GLN HB3 1 91 PHE H 5.320 . 5.820 4.506 4.369 4.560 . 0 0 "[ . 1 . 2]" 1 1460 1 90 GLN HG2 1 91 PHE H 4.530 . 5.030 3.860 3.530 3.977 . 0 0 "[ . 1 . 2]" 1 1461 1 90 GLN HG2 1 93 SER H 5.400 . 5.900 4.025 3.809 4.154 . 0 0 "[ . 1 . 2]" 1 1462 1 90 GLN HG3 1 91 PHE H 4.200 . 4.700 3.437 3.061 3.652 . 0 0 "[ . 1 . 2]" 1 1463 1 90 GLN HG3 1 91 PHE HA 5.500 . 6.000 5.176 4.985 5.339 . 0 0 "[ . 1 . 2]" 1 1464 1 91 PHE H 1 91 PHE HB3 3.930 . 4.430 3.538 3.512 3.580 . 0 0 "[ . 1 . 2]" 1 1465 1 91 PHE H 1 91 PHE QD 4.490 . 4.990 2.969 2.840 3.070 . 0 0 "[ . 1 . 2]" 1 1466 1 91 PHE H 1 91 PHE QE 6.170 . 6.670 4.737 4.607 4.962 . 0 0 "[ . 1 . 2]" 1 1467 1 91 PHE H 1 92 ALA H 5.300 . 5.800 4.607 4.546 4.630 . 0 0 "[ . 1 . 2]" 1 1468 1 91 PHE H 1 92 ALA HA 5.500 . 6.000 5.624 5.549 5.670 . 0 0 "[ . 1 . 2]" 1 1469 1 91 PHE H 1 93 SER H 5.490 . 5.990 5.342 5.125 5.461 . 0 0 "[ . 1 . 2]" 1 1470 1 91 PHE H 1 96 LEU MD1 6.610 . 7.110 4.873 4.755 5.165 . 0 0 "[ . 1 . 2]" 1 1471 1 91 PHE H 1 97 ALA HA 5.500 . 6.000 4.651 4.318 4.823 . 0 0 "[ . 1 . 2]" 1 1472 1 91 PHE HA 1 92 ALA H 3.490 . 3.990 2.485 2.463 2.496 . 0 0 "[ . 1 . 2]" 1 1473 1 91 PHE HA 1 92 ALA MB 4.920 . 5.420 4.116 4.099 4.130 . 0 0 "[ . 1 . 2]" 1 1474 1 91 PHE HA 1 96 LEU HB3 5.500 . 6.000 4.183 4.067 4.271 . 0 0 "[ . 1 . 2]" 1 1475 1 91 PHE HB2 1 92 ALA H 4.020 . 4.520 3.566 3.528 3.587 . 0 0 "[ . 1 . 2]" 1 1476 1 91 PHE HB2 1 92 ALA HA 5.090 . 5.590 5.178 5.133 5.246 . 0 0 "[ . 1 . 2]" 1 1477 1 91 PHE HB2 1 92 ALA MB 5.760 . 6.260 4.908 4.868 4.935 . 0 0 "[ . 1 . 2]" 1 1478 1 91 PHE HB2 1 93 SER H 5.240 . 5.740 4.926 4.790 5.084 . 0 0 "[ . 1 . 2]" 1 1479 1 91 PHE HB2 1 96 LEU H 4.970 . 5.470 4.651 4.525 4.733 . 0 0 "[ . 1 . 2]" 1 1480 1 91 PHE HB2 1 96 LEU HB2 4.590 . 5.090 4.687 4.634 4.760 . 0 0 "[ . 1 . 2]" 1 1481 1 91 PHE HB2 1 96 LEU HB3 4.680 . 5.180 2.956 2.904 3.023 . 0 0 "[ . 1 . 2]" 1 1482 1 91 PHE HB2 1 96 LEU MD1 5.310 . 5.810 3.210 3.108 3.462 . 0 0 "[ . 1 . 2]" 1 1483 1 91 PHE HB2 1 96 LEU MD2 6.350 . 6.850 5.312 5.266 5.360 . 0 0 "[ . 1 . 2]" 1 1484 1 91 PHE HB2 1 97 ALA H 4.620 . 5.120 2.974 2.851 3.083 . 0 0 "[ . 1 . 2]" 1 1485 1 91 PHE HB3 1 92 ALA H 4.190 . 4.690 2.271 2.177 2.330 . 0 0 "[ . 1 . 2]" 1 1486 1 91 PHE HB3 1 92 ALA HA 5.270 . 5.770 4.625 4.548 4.698 . 0 0 "[ . 1 . 2]" 1 1487 1 91 PHE HB3 1 92 ALA MB 6.170 . 6.670 3.815 3.701 3.880 . 0 0 "[ . 1 . 2]" 1 1488 1 91 PHE HB3 1 96 LEU H 5.500 . 6.000 4.314 4.259 4.366 . 0 0 "[ . 1 . 2]" 1 1489 1 91 PHE HB3 1 96 LEU HB2 4.670 . 5.170 3.535 3.487 3.598 . 0 0 "[ . 1 . 2]" 1 1490 1 91 PHE HB3 1 96 LEU HB3 5.150 . 5.650 1.941 1.923 1.971 . 0 0 "[ . 1 . 2]" 1 1491 1 91 PHE HB3 1 96 LEU MD1 5.980 . 6.480 2.067 1.979 2.198 . 0 0 "[ . 1 . 2]" 1 1492 1 91 PHE HB3 1 97 ALA H 4.590 . 5.090 3.403 3.298 3.495 . 0 0 "[ . 1 . 2]" 1 1493 1 91 PHE HB3 1 97 ALA HA 4.820 . 5.320 3.643 3.433 3.781 . 0 0 "[ . 1 . 2]" 1 1494 1 91 PHE HB3 1 97 ALA MB 5.120 . 5.620 3.773 3.600 3.877 . 0 0 "[ . 1 . 2]" 1 1495 1 91 PHE HB3 1 98 GLU H 5.500 . 6.000 5.784 5.653 5.880 . 0 0 "[ . 1 . 2]" 1 1496 1 91 PHE QD 1 92 ALA H 4.930 . 5.430 3.357 3.204 3.464 . 0 0 "[ . 1 . 2]" 1 1497 1 91 PHE QD 1 92 ALA MB 7.160 . 7.660 4.660 4.468 4.781 . 0 0 "[ . 1 . 2]" 1 1498 1 91 PHE QD 1 96 LEU HB2 5.680 . 6.180 5.227 5.170 5.282 . 0 0 "[ . 1 . 2]" 1 1499 1 91 PHE QD 1 96 LEU HB3 5.380 . 5.880 4.027 3.987 4.081 . 0 0 "[ . 1 . 2]" 1 1500 1 91 PHE QD 1 96 LEU MD1 6.810 . 7.310 2.419 2.163 2.597 . 0 0 "[ . 1 . 2]" 1 1501 1 91 PHE QD 1 96 LEU MD2 7.370 . 7.870 4.442 4.281 4.558 . 0 0 "[ . 1 . 2]" 1 1502 1 91 PHE QD 1 97 ALA HA 4.570 . 5.070 2.028 1.940 2.145 . 0 0 "[ . 1 . 2]" 1 1503 1 91 PHE QD 1 97 ALA MB 5.370 . 5.870 2.423 2.310 2.743 . 0 0 "[ . 1 . 2]" 1 1504 1 91 PHE QD 1 100 ALA MB 6.870 . 7.370 3.172 2.949 3.266 . 0 0 "[ . 1 . 2]" 1 1505 1 91 PHE QE 1 96 LEU MD1 7.410 . 7.910 3.302 3.144 3.503 . 0 0 "[ . 1 . 2]" 1 1506 1 91 PHE QE 1 97 ALA HA 5.140 . 5.640 3.280 3.086 3.714 . 0 0 "[ . 1 . 2]" 1 1507 1 91 PHE QE 1 97 ALA MB 6.700 . 7.200 3.960 3.804 4.382 . 0 0 "[ . 1 . 2]" 1 1508 1 91 PHE QE 1 100 ALA HA 5.710 . 6.210 4.705 4.513 4.894 . 0 0 "[ . 1 . 2]" 1 1509 1 91 PHE QE 1 100 ALA MB 5.450 . 5.950 2.254 2.174 2.379 . 0 0 "[ . 1 . 2]" 1 1510 1 92 ALA H 1 93 SER H 3.920 . 4.420 4.161 4.123 4.189 . 0 0 "[ . 1 . 2]" 1 1511 1 92 ALA H 1 96 LEU HB2 4.090 . 4.590 3.414 3.353 3.509 . 0 0 "[ . 1 . 2]" 1 1512 1 92 ALA H 1 96 LEU HB3 5.500 . 6.000 2.675 2.478 2.819 . 0 0 "[ . 1 . 2]" 1 1513 1 92 ALA H 1 96 LEU MD1 4.960 . 5.460 3.347 3.144 3.464 . 0 0 "[ . 1 . 2]" 1 1514 1 92 ALA H 1 96 LEU MD2 6.350 . 6.850 3.884 3.709 4.085 . 0 0 "[ . 1 . 2]" 1 1515 1 92 ALA HA 1 96 LEU HB2 4.810 . 5.310 4.765 4.667 4.864 . 0 0 "[ . 1 . 2]" 1 1516 1 92 ALA HA 1 96 LEU HB3 5.500 . 6.000 4.475 4.292 4.621 . 0 0 "[ . 1 . 2]" 1 1517 1 92 ALA MB 1 93 SER H 4.380 . 4.880 3.590 3.567 3.630 . 0 0 "[ . 1 . 2]" 1 1518 1 92 ALA MB 1 93 SER HB2 6.150 . 6.650 4.295 4.229 4.369 . 0 0 "[ . 1 . 2]" 1 1519 1 92 ALA MB 1 93 SER HB3 5.790 . 6.290 4.077 4.038 4.116 . 0 0 "[ . 1 . 2]" 1 1520 1 92 ALA MB 1 96 LEU H 5.180 . 5.680 4.183 4.092 4.291 . 0 0 "[ . 1 . 2]" 1 1521 1 92 ALA MB 1 96 LEU HB3 4.920 . 5.420 3.124 2.960 3.232 . 0 0 "[ . 1 . 2]" 1 1522 1 92 ALA O 1 96 LEU H 2.400 . 2.900 2.616 2.562 2.649 . 0 0 "[ . 1 . 2]" 1 1523 1 92 ALA O 1 96 LEU N 3.400 . 3.900 3.506 3.476 3.535 . 0 0 "[ . 1 . 2]" 1 1524 1 93 SER H 1 96 LEU H 5.100 . 5.600 5.105 5.064 5.138 . 0 0 "[ . 1 . 2]" 1 1525 1 93 SER HA 1 94 GLN H 2.920 . 3.420 2.513 2.468 2.565 . 0 0 "[ . 1 . 2]" 1 1526 1 93 SER HB2 1 94 GLN H 4.820 . 5.320 3.798 3.733 3.835 . 0 0 "[ . 1 . 2]" 1 1527 1 93 SER HB2 1 95 GLU H 4.610 . 5.110 4.364 4.263 4.500 . 0 0 "[ . 1 . 2]" 1 1528 1 93 SER HB2 1 95 GLU HB3 5.500 . 6.000 5.132 4.883 5.658 . 0 0 "[ . 1 . 2]" 1 1529 1 93 SER HB2 1 96 LEU H 5.380 . 5.880 5.106 5.041 5.146 . 0 0 "[ . 1 . 2]" 1 1530 1 93 SER HB3 1 94 GLN H 4.830 . 5.330 3.434 3.348 3.491 . 0 0 "[ . 1 . 2]" 1 1531 1 93 SER HB3 1 95 GLU H 4.780 . 5.280 2.908 2.798 3.026 . 0 0 "[ . 1 . 2]" 1 1532 1 93 SER HB3 1 95 GLU HB2 5.390 . 5.890 4.228 3.603 5.116 . 0 0 "[ . 1 . 2]" 1 1533 1 93 SER HB3 1 96 LEU H 5.140 . 5.640 3.497 3.439 3.554 . 0 0 "[ . 1 . 2]" 1 1534 1 93 SER O 1 97 ALA H 2.400 . 2.900 2.438 2.350 2.473 . 0 0 "[ . 1 . 2]" 1 1535 1 93 SER O 1 97 ALA N 3.400 . 3.900 3.414 3.290 3.457 . 0 0 "[ . 1 . 2]" 1 1536 1 94 GLN H 1 95 GLU H 5.380 . 5.880 2.695 2.667 2.743 . 0 0 "[ . 1 . 2]" 1 1537 1 94 GLN HA 1 94 GLN HE21 5.330 . 5.830 3.894 2.850 4.920 . 0 0 "[ . 1 . 2]" 1 1538 1 94 GLN HA 1 94 GLN HE22 5.500 . 6.000 5.133 3.509 5.716 . 0 0 "[ . 1 . 2]" 1 1539 1 94 GLN HA 1 96 LEU H 5.500 . 6.000 4.322 4.236 4.448 . 0 0 "[ . 1 . 2]" 1 1540 1 94 GLN HA 1 97 ALA H 4.080 . 4.580 3.204 3.097 3.395 . 0 0 "[ . 1 . 2]" 1 1541 1 94 GLN HA 1 97 ALA HA 5.250 . 5.750 5.071 4.941 5.280 . 0 0 "[ . 1 . 2]" 1 1542 1 94 GLN HA 1 97 ALA MB 4.430 . 4.930 2.373 2.275 2.560 . 0 0 "[ . 1 . 2]" 1 1543 1 94 GLN HA 1 98 GLU H 5.240 . 5.740 4.212 4.077 4.421 . 0 0 "[ . 1 . 2]" 1 1544 1 94 GLN HA 1 117 LYS QE 6.030 . 6.530 4.588 3.863 5.173 . 0 0 "[ . 1 . 2]" 1 1545 1 94 GLN HB2 1 95 GLU H 4.820 . 5.320 4.011 3.471 4.174 . 0 0 "[ . 1 . 2]" 1 1546 1 94 GLN HB2 1 97 ALA MB 6.240 . 6.740 4.429 4.189 4.829 . 0 0 "[ . 1 . 2]" 1 1547 1 94 GLN HB3 1 117 LYS QE 5.390 . 5.890 5.017 4.933 5.106 . 0 0 "[ . 1 . 2]" 1 1548 1 94 GLN HE21 1 97 ALA MB 6.340 . 6.840 3.731 2.028 4.835 . 0 0 "[ . 1 . 2]" 1 1549 1 94 GLN HE21 1 98 GLU HG2 5.500 . 6.000 2.519 2.046 3.448 . 0 0 "[ . 1 . 2]" 1 1550 1 94 GLN HE21 1 117 LYS QE 6.170 . 6.670 3.456 2.297 4.580 . 0 0 "[ . 1 . 2]" 1 1551 1 94 GLN HE22 1 97 ALA MB 6.560 . 7.060 4.858 2.589 5.388 . 0 0 "[ . 1 . 2]" 1 1552 1 94 GLN HE22 1 98 GLU HG2 5.500 . 6.000 3.208 2.048 5.189 . 0 0 "[ . 1 . 2]" 1 1553 1 94 GLN HE22 1 98 GLU HG3 5.330 . 5.830 3.090 2.414 6.792 0.962 15 1 "[ . 1 + 2]" 1 1554 1 94 GLN HE22 1 117 LYS QE 6.170 . 6.670 3.750 2.079 4.807 . 0 0 "[ . 1 . 2]" 1 1555 1 94 GLN QG 1 95 GLU H 5.240 . 5.740 4.493 4.289 4.748 . 0 0 "[ . 1 . 2]" 1 1556 1 94 GLN QG 1 97 ALA MB 6.230 . 6.730 2.751 2.405 3.686 . 0 0 "[ . 1 . 2]" 1 1557 1 94 GLN QG 1 98 GLU HG2 4.210 . 4.710 3.088 2.456 4.163 . 0 0 "[ . 1 . 2]" 1 1558 1 94 GLN QG 1 117 LYS HD3 6.170 . 6.670 4.900 4.378 5.334 . 0 0 "[ . 1 . 2]" 1 1559 1 94 GLN QG 1 117 LYS QE 5.820 . 6.320 2.593 2.264 3.405 . 0 0 "[ . 1 . 2]" 1 1560 1 94 GLN O 1 98 GLU H 2.400 . 2.900 2.172 1.927 2.443 . 0 0 "[ . 1 . 2]" 1 1561 1 94 GLN O 1 98 GLU N 3.400 . 3.900 3.046 2.828 3.301 . 0 0 "[ . 1 . 2]" 1 1562 1 95 GLU H 1 95 GLU HB2 3.420 . 3.920 2.616 2.211 3.559 . 0 0 "[ . 1 . 2]" 1 1563 1 95 GLU H 1 95 GLU HB3 3.760 . 4.260 2.488 2.368 2.733 . 0 0 "[ . 1 . 2]" 1 1564 1 95 GLU H 1 95 GLU QG 4.580 . 5.080 3.683 2.145 4.019 . 0 0 "[ . 1 . 2]" 1 1565 1 95 GLU H 1 96 LEU H 4.000 . 4.500 2.705 2.580 2.802 . 0 0 "[ . 1 . 2]" 1 1566 1 95 GLU H 1 96 LEU HA 5.500 . 6.000 5.331 5.240 5.410 . 0 0 "[ . 1 . 2]" 1 1567 1 95 GLU H 1 97 ALA H 4.810 . 5.310 3.995 3.803 4.154 . 0 0 "[ . 1 . 2]" 1 1568 1 95 GLU HA 1 95 GLU HB2 2.970 . 3.470 2.480 2.396 2.636 . 0 0 "[ . 1 . 2]" 1 1569 1 95 GLU HA 1 97 ALA H 5.470 . 5.970 4.451 4.329 4.556 . 0 0 "[ . 1 . 2]" 1 1570 1 95 GLU HA 1 98 GLU H 4.130 . 4.630 3.551 3.428 3.665 . 0 0 "[ . 1 . 2]" 1 1571 1 95 GLU HA 1 98 GLU HG2 4.190 . 4.690 3.811 3.557 4.048 . 0 0 "[ . 1 . 2]" 1 1572 1 95 GLU HB3 1 96 LEU H 4.280 . 4.780 2.803 2.499 3.988 . 0 0 "[ . 1 . 2]" 1 1573 1 95 GLU QG 1 96 LEU H 5.220 . 5.720 3.487 2.185 4.450 . 0 0 "[ . 1 . 2]" 1 1574 1 95 GLU QG 1 99 LYS HD2 6.170 . 6.670 3.599 3.152 5.084 . 0 0 "[ . 1 . 2]" 1 1575 1 95 GLU QG 1 99 LYS QE 6.410 . 6.910 3.049 2.173 4.931 . 0 0 "[ . 1 . 2]" 1 1576 1 95 GLU O 1 99 LYS H 2.400 . 2.900 2.577 2.512 2.638 . 0 0 "[ . 1 . 2]" 1 1577 1 95 GLU O 1 99 LYS N 3.400 . 3.900 3.441 3.357 3.498 . 0 0 "[ . 1 . 2]" 1 1578 1 96 LEU H 1 96 LEU HB2 3.520 . 4.020 2.296 2.190 2.368 . 0 0 "[ . 1 . 2]" 1 1579 1 96 LEU H 1 96 LEU HB3 3.960 . 4.460 2.524 2.493 2.567 . 0 0 "[ . 1 . 2]" 1 1580 1 96 LEU H 1 96 LEU MD1 5.030 . 5.530 4.212 4.190 4.245 . 0 0 "[ . 1 . 2]" 1 1581 1 96 LEU H 1 96 LEU MD2 4.960 . 5.460 3.910 3.838 3.963 . 0 0 "[ . 1 . 2]" 1 1582 1 96 LEU H 1 97 ALA H 3.710 . 4.210 2.545 2.459 2.613 . 0 0 "[ . 1 . 2]" 1 1583 1 96 LEU H 1 97 ALA HA 5.250 . 5.750 5.185 5.121 5.235 . 0 0 "[ . 1 . 2]" 1 1584 1 96 LEU H 1 97 ALA MB 5.630 . 6.130 4.193 4.133 4.256 . 0 0 "[ . 1 . 2]" 1 1585 1 96 LEU HA 1 96 LEU MD2 3.990 . 4.490 2.109 2.038 2.277 . 0 0 "[ . 1 . 2]" 1 1586 1 96 LEU HA 1 96 LEU HG 3.490 . 3.990 3.748 3.729 3.761 . 0 0 "[ . 1 . 2]" 1 1587 1 96 LEU HA 1 99 LYS HD2 4.440 . 4.940 2.025 1.979 2.090 . 0 0 "[ . 1 . 2]" 1 1588 1 96 LEU HA 1 99 LYS QE 4.220 . 4.720 3.816 3.563 3.936 . 0 0 "[ . 1 . 2]" 1 1589 1 96 LEU HA 1 99 LYS HG2 4.780 . 5.280 4.784 4.721 4.841 . 0 0 "[ . 1 . 2]" 1 1590 1 96 LEU HA 1 99 LYS HG3 4.540 . 5.040 3.672 3.530 3.886 . 0 0 "[ . 1 . 2]" 1 1591 1 96 LEU HA 1 100 ALA H 4.280 . 4.780 4.339 4.246 4.399 . 0 0 "[ . 1 . 2]" 1 1592 1 96 LEU HA 1 100 ALA MB 6.550 . 7.050 4.989 4.854 5.109 . 0 0 "[ . 1 . 2]" 1 1593 1 96 LEU HB2 1 97 ALA H 4.060 . 4.560 3.800 3.762 3.837 . 0 0 "[ . 1 . 2]" 1 1594 1 96 LEU HB2 1 97 ALA MB 6.610 . 7.110 5.268 5.237 5.300 . 0 0 "[ . 1 . 2]" 1 1595 1 96 LEU HB3 1 97 ALA H 4.440 . 4.940 2.676 2.607 2.838 . 0 0 "[ . 1 . 2]" 1 1596 1 96 LEU MD1 1 97 ALA HA 6.610 . 7.110 3.207 3.051 3.628 . 0 0 "[ . 1 . 2]" 1 1597 1 96 LEU MD1 1 97 ALA MB 6.590 . 7.090 4.123 4.001 4.480 . 0 0 "[ . 1 . 2]" 1 1598 1 96 LEU MD1 1 99 LYS HA 6.320 . 6.820 5.397 5.278 5.502 . 0 0 "[ . 1 . 2]" 1 1599 1 96 LEU MD2 1 97 ALA H 6.090 . 6.590 4.779 4.711 4.936 . 0 0 "[ . 1 . 2]" 1 1600 1 96 LEU MD2 1 99 LYS HD3 6.610 . 7.110 3.014 2.773 3.241 . 0 0 "[ . 1 . 2]" 1 1601 1 96 LEU MD2 1 99 LYS QE 6.240 . 6.740 3.670 3.288 4.133 . 0 0 "[ . 1 . 2]" 1 1602 1 96 LEU MD2 1 99 LYS HG2 6.610 . 7.110 4.960 4.760 5.167 . 0 0 "[ . 1 . 2]" 1 1603 1 96 LEU HG 1 97 ALA H 5.500 . 6.000 4.897 4.824 5.031 . 0 0 "[ . 1 . 2]" 1 1604 1 96 LEU O 1 100 ALA H 2.400 . 2.900 2.081 1.988 2.199 . 0 0 "[ . 1 . 2]" 1 1605 1 96 LEU O 1 100 ALA N 3.400 . 3.900 3.034 2.940 3.138 . 0 0 "[ . 1 . 2]" 1 1606 1 97 ALA H 1 98 GLU H 3.640 . 4.140 2.708 2.637 2.743 . 0 0 "[ . 1 . 2]" 1 1607 1 97 ALA H 1 98 GLU HG2 5.500 . 6.000 4.638 4.505 4.777 . 0 0 "[ . 1 . 2]" 1 1608 1 97 ALA HA 1 98 GLU HA 5.500 . 6.000 4.808 4.784 4.836 . 0 0 "[ . 1 . 2]" 1 1609 1 97 ALA HA 1 99 LYS H 4.900 . 5.400 4.250 4.100 4.325 . 0 0 "[ . 1 . 2]" 1 1610 1 97 ALA HA 1 100 ALA H 4.240 . 4.740 3.359 3.243 3.451 . 0 0 "[ . 1 . 2]" 1 1611 1 97 ALA HA 1 100 ALA MB 4.340 . 4.840 2.573 2.492 2.637 . 0 0 "[ . 1 . 2]" 1 1612 1 97 ALA MB 1 98 GLU H 4.530 . 5.030 2.600 2.546 2.662 . 0 0 "[ . 1 . 2]" 1 1613 1 97 ALA MB 1 98 GLU HA 5.130 . 5.630 3.833 3.792 3.860 . 0 0 "[ . 1 . 2]" 1 1614 1 97 ALA MB 1 98 GLU HB3 6.160 . 6.660 5.254 5.209 5.307 . 0 0 "[ . 1 . 2]" 1 1615 1 97 ALA MB 1 98 GLU HG2 6.350 . 6.850 3.247 3.164 3.369 . 0 0 "[ . 1 . 2]" 1 1616 1 97 ALA MB 1 98 GLU HG3 6.610 . 7.110 4.787 4.699 4.902 . 0 0 "[ . 1 . 2]" 1 1617 1 97 ALA MB 1 100 ALA MB 6.710 . 7.210 3.730 3.635 3.836 . 0 0 "[ . 1 . 2]" 1 1618 1 97 ALA MB 1 117 LYS QE 5.500 . 6.000 3.623 2.766 4.044 . 0 0 "[ . 1 . 2]" 1 1619 1 97 ALA O 1 101 LEU H 2.400 . 2.900 2.601 2.546 2.666 . 0 0 "[ . 1 . 2]" 1 1620 1 97 ALA O 1 101 LEU N 3.400 . 3.900 3.275 3.188 3.332 . 0 0 "[ . 1 . 2]" 1 1621 1 98 GLU H 1 98 GLU HB2 3.510 . 4.010 2.283 2.243 2.358 . 0 0 "[ . 1 . 2]" 1 1622 1 98 GLU H 1 98 GLU HB3 3.480 . 3.980 3.544 3.515 3.565 . 0 0 "[ . 1 . 2]" 1 1623 1 98 GLU H 1 98 GLU HG2 3.720 . 4.220 2.513 2.384 2.608 . 0 0 "[ . 1 . 2]" 1 1624 1 98 GLU H 1 98 GLU HG3 3.740 . 4.240 3.720 3.657 3.755 . 0 0 "[ . 1 . 2]" 1 1625 1 98 GLU H 1 99 LYS H 3.490 . 3.990 2.566 2.503 2.611 . 0 0 "[ . 1 . 2]" 1 1626 1 98 GLU H 1 99 LYS HD2 4.990 . 5.490 5.088 4.991 5.155 . 0 0 "[ . 1 . 2]" 1 1627 1 98 GLU H 1 101 LEU MD1 6.180 . 6.680 4.503 4.421 4.555 . 0 0 "[ . 1 . 2]" 1 1628 1 98 GLU HA 1 98 GLU HG2 3.700 . 4.200 2.844 2.740 3.017 . 0 0 "[ . 1 . 2]" 1 1629 1 98 GLU HA 1 98 GLU HG3 3.270 . 3.770 3.643 3.621 3.661 . 0 0 "[ . 1 . 2]" 1 1630 1 98 GLU HA 1 101 LEU H 4.020 . 4.520 3.447 3.392 3.551 . 0 0 "[ . 1 . 2]" 1 1631 1 98 GLU HA 1 101 LEU HB3 4.290 . 4.790 4.599 4.561 4.633 . 0 0 "[ . 1 . 2]" 1 1632 1 98 GLU HA 1 101 LEU MD1 4.020 . 4.520 2.076 1.998 2.160 . 0 0 "[ . 1 . 2]" 1 1633 1 98 GLU HA 1 101 LEU HG 3.600 . 4.100 2.559 2.265 2.821 . 0 0 "[ . 1 . 2]" 1 1634 1 98 GLU HA 1 117 LYS QE 6.170 . 6.670 4.884 4.405 5.339 . 0 0 "[ . 1 . 2]" 1 1635 1 98 GLU HB2 1 98 GLU HG3 2.920 . 3.420 2.419 2.387 2.462 . 0 0 "[ . 1 . 2]" 1 1636 1 98 GLU HB2 1 99 LYS H 3.960 . 4.460 2.891 2.815 2.948 . 0 0 "[ . 1 . 2]" 1 1637 1 98 GLU HB3 1 99 LYS H 3.580 . 4.080 3.700 3.629 3.742 . 0 0 "[ . 1 . 2]" 1 1638 1 98 GLU HB3 1 101 LEU MD1 5.790 . 6.290 3.468 3.350 3.666 . 0 0 "[ . 1 . 2]" 1 1639 1 98 GLU HG2 1 99 LYS H 4.700 . 5.200 4.597 4.511 4.680 . 0 0 "[ . 1 . 2]" 1 1640 1 98 GLU HG2 1 101 LEU MD1 5.610 . 6.110 3.857 3.703 4.105 . 0 0 "[ . 1 . 2]" 1 1641 1 98 GLU HG2 1 117 LYS QE 6.170 . 6.670 3.846 3.449 4.187 . 0 0 "[ . 1 . 2]" 1 1642 1 98 GLU HG3 1 117 LYS QE 6.170 . 6.670 4.818 4.451 5.196 . 0 0 "[ . 1 . 2]" 1 1643 1 99 LYS H 1 99 LYS HB2 3.390 . 3.890 2.333 2.280 2.361 . 0 0 "[ . 1 . 2]" 1 1644 1 99 LYS H 1 99 LYS HB3 3.660 . 4.160 3.573 3.556 3.579 . 0 0 "[ . 1 . 2]" 1 1645 1 99 LYS H 1 99 LYS HD2 3.620 . 4.120 3.377 3.296 3.477 . 0 0 "[ . 1 . 2]" 1 1646 1 99 LYS H 1 99 LYS HD3 4.530 . 5.030 4.403 4.251 4.484 . 0 0 "[ . 1 . 2]" 1 1647 1 99 LYS H 1 99 LYS QE 5.570 . 6.070 4.705 4.268 5.014 . 0 0 "[ . 1 . 2]" 1 1648 1 99 LYS H 1 99 LYS HG2 4.010 . 4.510 3.783 3.713 3.896 . 0 0 "[ . 1 . 2]" 1 1649 1 99 LYS H 1 99 LYS HG3 4.100 . 4.600 2.399 2.311 2.532 . 0 0 "[ . 1 . 2]" 1 1650 1 99 LYS H 1 100 ALA H 3.100 . 3.600 2.517 2.473 2.559 . 0 0 "[ . 1 . 2]" 1 1651 1 99 LYS H 1 100 ALA HA 5.300 . 5.800 5.190 5.150 5.222 . 0 0 "[ . 1 . 2]" 1 1652 1 99 LYS HA 1 99 LYS HD2 4.110 . 4.610 4.451 4.416 4.477 . 0 0 "[ . 1 . 2]" 1 1653 1 99 LYS HA 1 99 LYS HD3 4.200 . 4.700 4.383 4.351 4.409 . 0 0 "[ . 1 . 2]" 1 1654 1 99 LYS HA 1 99 LYS QE 5.560 . 6.060 4.795 4.511 4.913 . 0 0 "[ . 1 . 2]" 1 1655 1 99 LYS HA 1 99 LYS HG2 3.550 . 4.050 2.601 2.561 2.666 . 0 0 "[ . 1 . 2]" 1 1656 1 99 LYS HA 1 99 LYS HG3 3.480 . 3.980 2.692 2.570 2.766 . 0 0 "[ . 1 . 2]" 1 1657 1 99 LYS HA 1 101 LEU H 4.840 . 5.340 3.852 3.808 3.894 . 0 0 "[ . 1 . 2]" 1 1658 1 99 LYS HA 1 101 LEU MD1 6.150 . 6.650 5.315 5.272 5.384 . 0 0 "[ . 1 . 2]" 1 1659 1 99 LYS HB2 1 99 LYS HD2 3.810 . 4.310 2.333 2.289 2.452 . 0 0 "[ . 1 . 2]" 1 1660 1 99 LYS HB2 1 99 LYS QE 4.870 . 5.370 4.004 3.921 4.060 . 0 0 "[ . 1 . 2]" 1 1661 1 99 LYS HB2 1 100 ALA H 3.800 . 4.300 2.632 2.581 2.689 . 0 0 "[ . 1 . 2]" 1 1662 1 99 LYS HB2 1 100 ALA HA 4.360 . 4.860 4.417 4.394 4.462 . 0 0 "[ . 1 . 2]" 1 1663 1 99 LYS HB3 1 99 LYS HD3 4.060 . 4.560 2.520 2.462 2.567 . 0 0 "[ . 1 . 2]" 1 1664 1 99 LYS HB3 1 99 LYS QE 4.730 . 5.230 4.003 3.878 4.237 . 0 0 "[ . 1 . 2]" 1 1665 1 99 LYS HB3 1 100 ALA H 4.010 . 4.510 3.600 3.544 3.638 . 0 0 "[ . 1 . 2]" 1 1666 1 99 LYS HB3 1 100 ALA HA 5.000 . 5.500 4.402 4.275 4.490 . 0 0 "[ . 1 . 2]" 1 1667 1 99 LYS HD3 1 100 ALA H 5.040 . 5.540 5.243 5.070 5.311 . 0 0 "[ . 1 . 2]" 1 1668 1 99 LYS QE 1 99 LYS HG2 3.480 . 3.980 2.549 2.373 2.920 . 0 0 "[ . 1 . 2]" 1 1669 1 99 LYS HG3 1 100 ALA H 5.500 . 6.000 4.403 4.343 4.512 . 0 0 "[ . 1 . 2]" 1 1670 1 100 ALA H 1 101 LEU H 3.770 . 4.270 2.745 2.704 2.767 . 0 0 "[ . 1 . 2]" 1 1671 1 100 ALA H 1 101 LEU HG 4.460 . 4.960 4.279 4.186 4.376 . 0 0 "[ . 1 . 2]" 1 1672 1 100 ALA HA 1 101 LEU HG 5.500 . 6.000 5.493 5.435 5.530 . 0 0 "[ . 1 . 2]" 1 1673 1 100 ALA HA 1 102 GLY H 4.650 . 5.150 3.462 3.351 3.553 . 0 0 "[ . 1 . 2]" 1 1674 1 100 ALA HA 1 103 LYS H 4.870 . 5.370 3.798 3.599 4.359 . 0 0 "[ . 1 . 2]" 1 1675 1 100 ALA HA 1 103 LYS HD2 5.500 . 6.000 5.416 3.053 5.631 . 0 0 "[ . 1 . 2]" 1 1676 1 100 ALA HA 1 103 LYS HD3 5.500 . 6.000 5.223 3.710 5.439 . 0 0 "[ . 1 . 2]" 1 1677 1 100 ALA HA 1 103 LYS HE3 5.500 . 6.000 4.609 4.295 5.751 . 0 0 "[ . 1 . 2]" 1 1678 1 100 ALA HA 1 103 LYS HG2 4.960 . 5.460 3.048 2.738 4.196 . 0 0 "[ . 1 . 2]" 1 1679 1 100 ALA MB 1 101 LEU H 4.540 . 5.040 2.993 2.877 3.134 . 0 0 "[ . 1 . 2]" 1 1680 1 100 ALA MB 1 101 LEU HG 6.610 . 7.110 3.717 3.569 3.941 . 0 0 "[ . 1 . 2]" 1 1681 1 100 ALA MB 1 115 VAL MG1 7.180 . 7.680 3.501 3.252 3.730 . 0 0 "[ . 1 . 2]" 1 1682 1 101 LEU H 1 101 LEU HB2 3.740 . 4.240 2.361 2.303 2.424 . 0 0 "[ . 1 . 2]" 1 1683 1 101 LEU H 1 101 LEU HB3 3.810 . 4.310 3.564 3.542 3.589 . 0 0 "[ . 1 . 2]" 1 1684 1 101 LEU H 1 101 LEU MD1 4.740 . 5.240 3.522 3.472 3.593 . 0 0 "[ . 1 . 2]" 1 1685 1 101 LEU H 1 101 LEU MD2 4.730 . 5.230 3.465 3.367 3.593 . 0 0 "[ . 1 . 2]" 1 1686 1 101 LEU H 1 101 LEU HG 3.400 . 3.900 2.300 2.218 2.390 . 0 0 "[ . 1 . 2]" 1 1687 1 101 LEU H 1 102 GLY H 3.440 . 3.940 2.678 2.633 2.720 . 0 0 "[ . 1 . 2]" 1 1688 1 101 LEU H 1 102 GLY HA2 5.100 . 5.600 5.189 5.158 5.222 . 0 0 "[ . 1 . 2]" 1 1689 1 101 LEU H 1 102 GLY HA3 4.830 . 5.330 4.920 4.880 4.965 . 0 0 "[ . 1 . 2]" 1 1690 1 101 LEU HA 1 101 LEU MD2 3.780 . 4.280 2.054 2.025 2.090 . 0 0 "[ . 1 . 2]" 1 1691 1 101 LEU HA 1 103 LYS H 4.650 . 5.150 3.439 3.123 3.646 . 0 0 "[ . 1 . 2]" 1 1692 1 101 LEU HA 1 104 HIS H 4.150 . 4.650 3.553 3.161 3.762 . 0 0 "[ . 1 . 2]" 1 1693 1 101 LEU HA 1 104 HIS HB2 5.200 . 5.700 3.735 3.611 3.859 . 0 0 "[ . 1 . 2]" 1 1694 1 101 LEU HA 1 104 HIS HB3 4.960 . 5.460 5.136 5.044 5.251 . 0 0 "[ . 1 . 2]" 1 1695 1 101 LEU HA 1 115 VAL HB 4.120 . 4.620 2.942 2.598 3.293 . 0 0 "[ . 1 . 2]" 1 1696 1 101 LEU HA 1 115 VAL MG1 5.540 . 6.040 3.268 3.077 3.392 . 0 0 "[ . 1 . 2]" 1 1697 1 101 LEU HA 1 115 VAL MG2 4.200 . 4.700 1.924 1.810 2.025 . 0 0 "[ . 1 . 2]" 1 1698 1 101 LEU HB2 1 102 GLY H 4.370 . 4.870 3.285 3.190 3.373 . 0 0 "[ . 1 . 2]" 1 1699 1 101 LEU HB2 1 102 GLY HA2 5.040 . 5.540 4.487 4.388 4.593 . 0 0 "[ . 1 . 2]" 1 1700 1 101 LEU HB2 1 102 GLY HA3 5.500 . 6.000 4.936 4.881 5.050 . 0 0 "[ . 1 . 2]" 1 1701 1 101 LEU HB2 1 103 LYS H 5.500 . 6.000 4.995 4.814 5.104 . 0 0 "[ . 1 . 2]" 1 1702 1 101 LEU HB2 1 104 HIS H 5.500 . 6.000 5.601 5.488 5.765 . 0 0 "[ . 1 . 2]" 1 1703 1 101 LEU HB2 1 115 VAL MG1 6.610 . 7.110 5.794 5.683 5.886 . 0 0 "[ . 1 . 2]" 1 1704 1 101 LEU HB3 1 102 GLY H 4.450 . 4.950 4.132 4.072 4.189 . 0 0 "[ . 1 . 2]" 1 1705 1 101 LEU HB3 1 102 GLY HA2 5.500 . 6.000 4.591 4.545 4.643 . 0 0 "[ . 1 . 2]" 1 1706 1 101 LEU HB3 1 102 GLY HA3 5.500 . 6.000 5.544 5.512 5.573 . 0 0 "[ . 1 . 2]" 1 1707 1 101 LEU HB3 1 103 LYS H 5.500 . 6.000 5.064 4.635 5.255 . 0 0 "[ . 1 . 2]" 1 1708 1 101 LEU HB3 1 104 HIS H 5.500 . 6.000 4.877 4.744 5.118 . 0 0 "[ . 1 . 2]" 1 1709 1 101 LEU MD1 1 102 GLY H 6.200 . 6.700 5.019 4.937 5.099 . 0 0 "[ . 1 . 2]" 1 1710 1 101 LEU MD1 1 116 PHE HA 6.610 . 7.110 5.329 4.882 5.620 . 0 0 "[ . 1 . 2]" 1 1711 1 101 LEU MD1 1 117 LYS HA 6.100 . 6.600 4.694 4.208 5.004 . 0 0 "[ . 1 . 2]" 1 1712 1 101 LEU MD1 1 117 LYS HD2 5.540 . 6.040 4.327 3.879 4.830 . 0 0 "[ . 1 . 2]" 1 1713 1 101 LEU MD1 1 117 LYS QE 5.580 . 6.080 3.759 3.008 4.131 . 0 0 "[ . 1 . 2]" 1 1714 1 101 LEU MD1 1 117 LYS HG2 5.920 . 6.420 4.630 2.479 5.029 . 0 0 "[ . 1 . 2]" 1 1715 1 101 LEU MD1 1 117 LYS HG3 5.720 . 6.220 3.401 3.125 3.513 . 0 0 "[ . 1 . 2]" 1 1716 1 101 LEU MD2 1 102 GLY H 5.960 . 6.460 4.821 4.769 4.871 . 0 0 "[ . 1 . 2]" 1 1717 1 101 LEU MD2 1 103 LYS H 6.610 . 7.110 5.038 4.755 5.211 . 0 0 "[ . 1 . 2]" 1 1718 1 101 LEU MD2 1 104 HIS HA 6.610 . 7.110 5.220 4.722 5.510 . 0 0 "[ . 1 . 2]" 1 1719 1 101 LEU MD2 1 104 HIS HB2 6.610 . 7.110 4.122 3.996 4.183 . 0 0 "[ . 1 . 2]" 1 1720 1 101 LEU MD2 1 104 HIS HB3 6.610 . 7.110 5.497 5.313 5.607 . 0 0 "[ . 1 . 2]" 1 1721 1 101 LEU MD2 1 115 VAL HB 5.620 . 6.120 2.557 2.283 2.817 . 0 0 "[ . 1 . 2]" 1 1722 1 101 LEU MD2 1 115 VAL MG1 6.450 . 6.950 3.758 3.497 3.890 . 0 0 "[ . 1 . 2]" 1 1723 1 101 LEU MD2 1 115 VAL MG2 4.140 . 4.640 2.135 1.929 2.305 . 0 0 "[ . 1 . 2]" 1 1724 1 101 LEU MD2 1 116 PHE H 5.840 . 6.340 4.000 3.407 4.823 . 0 0 "[ . 1 . 2]" 1 1725 1 101 LEU MD2 1 116 PHE HA 4.900 . 5.400 3.480 3.006 3.900 . 0 0 "[ . 1 . 2]" 1 1726 1 101 LEU MD2 1 116 PHE HB2 6.610 . 7.110 5.388 4.942 5.686 . 0 0 "[ . 1 . 2]" 1 1727 1 101 LEU MD2 1 117 LYS H 4.770 . 5.270 3.842 3.446 4.045 . 0 0 "[ . 1 . 2]" 1 1728 1 101 LEU MD2 1 117 LYS HA 5.140 . 5.640 3.543 3.312 3.760 . 0 0 "[ . 1 . 2]" 1 1729 1 101 LEU MD2 1 117 LYS HB2 5.560 . 6.060 3.890 3.442 4.445 . 0 0 "[ . 1 . 2]" 1 1730 1 101 LEU MD2 1 117 LYS QE 7.410 . 7.910 4.699 4.215 5.186 . 0 0 "[ . 1 . 2]" 1 1731 1 101 LEU MD2 1 117 LYS HG2 6.610 . 7.110 4.402 2.518 5.136 . 0 0 "[ . 1 . 2]" 1 1732 1 101 LEU MD2 1 117 LYS HG3 4.710 . 5.210 3.461 2.947 3.927 . 0 0 "[ . 1 . 2]" 1 1733 1 101 LEU HG 1 115 VAL MG1 6.610 . 7.110 5.376 5.131 5.550 . 0 0 "[ . 1 . 2]" 1 1734 1 102 GLY H 1 103 LYS HD3 5.500 . 6.000 5.630 5.549 5.730 . 0 0 "[ . 1 . 2]" 1 1735 1 102 GLY H 1 103 LYS HG2 5.500 . 6.000 3.679 3.496 4.066 . 0 0 "[ . 1 . 2]" 1 1736 1 102 GLY H 1 115 VAL MG2 6.230 . 6.730 4.294 4.030 4.518 . 0 0 "[ . 1 . 2]" 1 1737 1 102 GLY HA2 1 104 HIS H 4.940 . 5.440 3.835 3.468 4.709 . 0 0 "[ . 1 . 2]" 1 1738 1 102 GLY HA3 1 104 HIS H 5.050 . 5.550 4.612 4.343 5.170 . 0 0 "[ . 1 . 2]" 1 1739 1 103 LYS H 1 103 LYS HB2 3.730 . 4.230 2.333 2.250 2.773 . 0 0 "[ . 1 . 2]" 1 1740 1 103 LYS H 1 103 LYS HB3 4.040 . 4.540 3.532 3.500 3.782 . 0 0 "[ . 1 . 2]" 1 1741 1 103 LYS H 1 103 LYS HD2 4.500 . 5.000 4.593 4.545 4.797 . 0 0 "[ . 1 . 2]" 1 1742 1 103 LYS H 1 103 LYS HD3 4.780 . 5.280 3.947 3.739 4.585 . 0 0 "[ . 1 . 2]" 1 1743 1 103 LYS H 1 103 LYS HE3 5.500 . 6.000 5.388 5.134 5.726 . 0 0 "[ . 1 . 2]" 1 1744 1 103 LYS H 1 103 LYS HG2 4.360 . 4.860 2.323 2.033 3.142 . 0 0 "[ . 1 . 2]" 1 1745 1 103 LYS H 1 103 LYS HG3 4.510 . 5.010 3.392 2.426 3.806 . 0 0 "[ . 1 . 2]" 1 1746 1 103 LYS H 1 104 HIS H 3.600 . 4.100 2.472 2.020 2.647 . 0 0 "[ . 1 . 2]" 1 1747 1 103 LYS H 1 104 HIS HA 5.410 . 5.910 4.782 4.311 4.961 . 0 0 "[ . 1 . 2]" 1 1748 1 103 LYS H 1 104 HIS HB2 4.930 . 5.430 4.537 4.000 4.728 . 0 0 "[ . 1 . 2]" 1 1749 1 103 LYS H 1 106 GLU QB 5.670 . 6.170 4.852 4.491 5.241 . 0 0 "[ . 1 . 2]" 1 1750 1 103 LYS H 1 115 VAL MG1 6.150 . 6.650 3.303 2.905 3.646 . 0 0 "[ . 1 . 2]" 1 1751 1 103 LYS H 1 115 VAL MG2 6.280 . 6.780 3.207 2.574 3.802 . 0 0 "[ . 1 . 2]" 1 1752 1 103 LYS HA 1 103 LYS HD2 4.050 . 4.550 3.083 2.819 4.689 0.139 7 0 "[ . 1 . 2]" 1 1753 1 103 LYS HA 1 103 LYS HD3 4.000 . 4.500 2.313 2.125 4.375 . 0 0 "[ . 1 . 2]" 1 1754 1 103 LYS HA 1 103 LYS HE2 5.140 . 5.640 4.459 4.303 5.129 . 0 0 "[ . 1 . 2]" 1 1755 1 103 LYS HA 1 103 LYS HG2 4.230 . 4.730 2.922 2.427 2.981 . 0 0 "[ . 1 . 2]" 1 1756 1 103 LYS HA 1 103 LYS HG3 3.540 . 4.040 3.738 3.366 3.805 . 0 0 "[ . 1 . 2]" 1 1757 1 103 LYS HA 1 104 HIS HB2 5.500 . 6.000 5.662 5.619 5.720 . 0 0 "[ . 1 . 2]" 1 1758 1 103 LYS HA 1 106 GLU H 4.790 . 5.290 3.613 2.958 3.923 . 0 0 "[ . 1 . 2]" 1 1759 1 103 LYS HA 1 106 GLU QB 4.480 . 4.980 2.480 2.037 3.149 . 0 0 "[ . 1 . 2]" 1 1760 1 103 LYS HA 1 106 GLU HG2 3.550 . 4.050 2.558 1.972 3.279 . 0 0 "[ . 1 . 2]" 1 1761 1 103 LYS HA 1 106 GLU HG3 3.990 . 4.490 3.482 2.154 4.340 . 0 0 "[ . 1 . 2]" 1 1762 1 103 LYS HB2 1 103 LYS HE2 5.250 . 5.750 4.821 4.579 4.892 . 0 0 "[ . 1 . 2]" 1 1763 1 103 LYS HB2 1 103 LYS HE3 5.410 . 5.910 4.546 3.553 4.708 . 0 0 "[ . 1 . 2]" 1 1764 1 103 LYS HB3 1 103 LYS HE2 4.720 . 5.220 4.507 3.608 4.585 . 0 0 "[ . 1 . 2]" 1 1765 1 103 LYS HB3 1 103 LYS HE3 4.840 . 5.340 3.974 2.115 4.257 . 0 0 "[ . 1 . 2]" 1 1766 1 103 LYS HB3 1 104 HIS H 5.320 . 5.820 4.001 3.222 4.458 . 0 0 "[ . 1 . 2]" 1 1767 1 103 LYS HD2 1 104 HIS H 5.500 . 6.000 5.720 5.322 6.441 0.441 7 0 "[ . 1 . 2]" 1 1768 1 103 LYS HD3 1 106 GLU QB 5.810 . 6.310 3.358 2.875 4.506 . 0 0 "[ . 1 . 2]" 1 1769 1 103 LYS HD3 1 106 GLU HG2 4.650 . 5.150 2.969 2.333 4.587 . 0 0 "[ . 1 . 2]" 1 1770 1 103 LYS HE2 1 106 GLU QB 6.130 . 6.630 5.297 4.676 5.563 . 0 0 "[ . 1 . 2]" 1 1771 1 103 LYS HE3 1 103 LYS HG3 3.720 . 4.220 2.483 2.272 3.747 . 0 0 "[ . 1 . 2]" 1 1772 1 103 LYS HG2 1 115 VAL MG1 6.610 . 7.110 4.044 3.923 4.495 . 0 0 "[ . 1 . 2]" 1 1773 1 103 LYS HG3 1 106 GLU HG2 5.120 . 5.620 5.271 4.846 5.547 . 0 0 "[ . 1 . 2]" 1 1774 1 103 LYS HG3 1 115 VAL HB 5.500 . 6.000 5.790 5.553 5.875 . 0 0 "[ . 1 . 2]" 1 1775 1 103 LYS HG3 1 115 VAL MG1 3.930 . 4.430 3.517 3.398 3.687 . 0 0 "[ . 1 . 2]" 1 1776 1 104 HIS H 1 104 HIS HB2 3.460 . 3.960 2.436 2.332 2.585 . 0 0 "[ . 1 . 2]" 1 1777 1 104 HIS H 1 104 HIS HB3 3.410 . 3.910 2.737 2.422 3.213 . 0 0 "[ . 1 . 2]" 1 1778 1 104 HIS H 1 104 HIS HD2 5.280 . 5.780 5.273 5.045 5.531 . 0 0 "[ . 1 . 2]" 1 1779 1 104 HIS H 1 105 LYS H 4.680 . 5.180 4.152 3.055 4.628 . 0 0 "[ . 1 . 2]" 1 1780 1 104 HIS H 1 106 GLU H 5.490 . 5.990 4.339 4.185 4.525 . 0 0 "[ . 1 . 2]" 1 1781 1 104 HIS H 1 115 VAL H 5.300 . 5.800 4.771 4.181 5.389 . 0 0 "[ . 1 . 2]" 1 1782 1 104 HIS H 1 115 VAL HB 4.500 . 5.000 4.638 4.145 4.877 . 0 0 "[ . 1 . 2]" 1 1783 1 104 HIS H 1 115 VAL MG1 5.720 . 6.220 3.034 2.334 3.442 . 0 0 "[ . 1 . 2]" 1 1784 1 104 HIS HA 1 105 LYS HG2 5.500 . 6.000 4.962 4.387 5.273 . 0 0 "[ . 1 . 2]" 1 1785 1 104 HIS HA 1 105 LYS HG3 5.500 . 6.000 4.345 3.823 4.854 . 0 0 "[ . 1 . 2]" 1 1786 1 104 HIS HA 1 106 GLU H 4.770 . 5.270 3.854 3.440 4.441 . 0 0 "[ . 1 . 2]" 1 1787 1 104 HIS HA 1 115 VAL H 4.560 . 5.060 2.583 1.767 3.381 0.033 5 0 "[ . 1 . 2]" 1 1788 1 104 HIS HA 1 115 VAL HB 4.500 . 5.000 4.428 3.924 4.716 . 0 0 "[ . 1 . 2]" 1 1789 1 104 HIS HA 1 115 VAL MG1 4.650 . 5.150 2.425 1.940 2.776 . 0 0 "[ . 1 . 2]" 1 1790 1 104 HIS HA 1 115 VAL MG2 5.820 . 6.320 1.957 1.837 2.129 . 0 0 "[ . 1 . 2]" 1 1791 1 104 HIS HB2 1 104 HIS HD2 3.960 . 4.460 3.353 2.962 3.615 . 0 0 "[ . 1 . 2]" 1 1792 1 104 HIS HB2 1 105 LYS H 5.080 . 5.580 4.075 3.508 4.357 . 0 0 "[ . 1 . 2]" 1 1793 1 104 HIS HB2 1 114 GLU HA 5.500 . 6.000 4.834 4.409 5.184 . 0 0 "[ . 1 . 2]" 1 1794 1 104 HIS HB2 1 115 VAL H 5.340 . 5.840 3.711 3.224 4.075 . 0 0 "[ . 1 . 2]" 1 1795 1 104 HIS HB2 1 115 VAL HB 4.250 . 4.750 4.615 4.491 4.732 . 0 0 "[ . 1 . 2]" 1 1796 1 104 HIS HB2 1 115 VAL MG1 5.730 . 6.230 3.770 3.577 3.923 . 0 0 "[ . 1 . 2]" 1 1797 1 104 HIS HB2 1 115 VAL MG2 6.300 . 6.800 1.915 1.826 1.983 . 0 0 "[ . 1 . 2]" 1 1798 1 104 HIS HB3 1 105 LYS H 5.050 . 5.550 3.389 2.075 4.241 . 0 0 "[ . 1 . 2]" 1 1799 1 104 HIS HB3 1 115 VAL H 5.490 . 5.990 4.892 4.348 5.483 . 0 0 "[ . 1 . 2]" 1 1800 1 104 HIS HB3 1 115 VAL MG1 6.060 . 6.560 4.703 4.462 4.954 . 0 0 "[ . 1 . 2]" 1 1801 1 104 HIS HB3 1 115 VAL MG2 6.440 . 6.940 3.241 3.169 3.306 . 0 0 "[ . 1 . 2]" 1 1802 1 104 HIS HD2 1 105 LYS HD2 5.330 . 5.830 4.570 3.634 5.355 . 0 0 "[ . 1 . 2]" 1 1803 1 104 HIS HD2 1 105 LYS QE 5.540 . 6.040 3.721 2.708 4.809 . 0 0 "[ . 1 . 2]" 1 1804 1 104 HIS HD2 1 105 LYS HG2 4.650 . 5.150 4.742 4.584 4.846 . 0 0 "[ . 1 . 2]" 1 1805 1 104 HIS HD2 1 105 LYS HG3 5.500 . 6.000 3.303 3.038 3.626 . 0 0 "[ . 1 . 2]" 1 1806 1 104 HIS HE1 1 105 LYS QE 6.170 . 6.670 3.498 2.882 4.352 . 0 0 "[ . 1 . 2]" 1 1807 1 104 HIS HE1 1 112 TYR QE 6.170 . 6.670 5.659 5.562 5.768 . 0 0 "[ . 1 . 2]" 1 1808 1 104 HIS HE1 1 114 GLU HA 4.920 . 5.420 3.922 3.401 4.492 . 0 0 "[ . 1 . 2]" 1 1809 1 104 HIS HE1 1 114 GLU QB 4.970 . 5.470 2.806 2.255 4.190 . 0 0 "[ . 1 . 2]" 1 1810 1 104 HIS HE1 1 114 GLU HG2 4.860 . 5.360 4.130 3.448 5.138 . 0 0 "[ . 1 . 2]" 1 1811 1 104 HIS HE1 1 114 GLU HG3 4.800 . 5.300 4.849 4.472 5.051 . 0 0 "[ . 1 . 2]" 1 1812 1 105 LYS H 1 105 LYS HD2 5.500 . 6.000 4.848 4.061 5.248 . 0 0 "[ . 1 . 2]" 1 1813 1 105 LYS H 1 105 LYS HD3 5.500 . 6.000 5.174 4.710 5.550 . 0 0 "[ . 1 . 2]" 1 1814 1 105 LYS H 1 105 LYS HG2 4.920 . 5.420 3.337 2.695 4.155 . 0 0 "[ . 1 . 2]" 1 1815 1 105 LYS H 1 105 LYS HG3 5.350 . 5.850 2.802 2.060 3.279 . 0 0 "[ . 1 . 2]" 1 1816 1 105 LYS H 1 106 GLU H 4.040 . 4.540 2.735 1.893 3.048 . 0 0 "[ . 1 . 2]" 1 1817 1 105 LYS H 1 106 GLU HA 5.500 . 6.000 5.176 4.323 5.579 . 0 0 "[ . 1 . 2]" 1 1818 1 105 LYS H 1 115 VAL H 5.100 . 5.600 4.579 3.421 5.645 0.045 16 0 "[ . 1 . 2]" 1 1819 1 105 LYS H 1 115 VAL MG1 5.810 . 6.310 4.389 3.890 4.939 . 0 0 "[ . 1 . 2]" 1 1820 1 105 LYS HA 1 105 LYS HD2 5.350 . 5.850 4.663 4.597 4.696 . 0 0 "[ . 1 . 2]" 1 1821 1 105 LYS HA 1 105 LYS HD3 5.100 . 5.600 4.172 3.880 4.332 . 0 0 "[ . 1 . 2]" 1 1822 1 105 LYS HA 1 112 TYR HB2 4.910 . 5.410 3.350 2.828 3.816 . 0 0 "[ . 1 . 2]" 1 1823 1 105 LYS HA 1 112 TYR HB3 5.420 . 5.920 5.037 4.541 5.520 . 0 0 "[ . 1 . 2]" 1 1824 1 105 LYS HA 1 112 TYR QD 5.110 . 5.610 2.685 2.255 3.189 . 0 0 "[ . 1 . 2]" 1 1825 1 105 LYS HA 1 112 TYR QE 6.170 . 6.670 4.495 4.058 4.932 . 0 0 "[ . 1 . 2]" 1 1826 1 105 LYS HA 1 113 ILE H 5.080 . 5.580 3.676 3.054 4.332 . 0 0 "[ . 1 . 2]" 1 1827 1 105 LYS HA 1 114 GLU HA 5.450 . 5.950 3.849 3.402 4.177 . 0 0 "[ . 1 . 2]" 1 1828 1 105 LYS HA 1 115 VAL MG1 6.610 . 7.110 5.554 5.206 5.736 . 0 0 "[ . 1 . 2]" 1 1829 1 105 LYS QB 2 5 A H2 5.610 . 6.110 5.063 4.876 5.144 . 0 0 "[ . 1 . 2]" 1 1830 1 105 LYS HB2 1 105 LYS HD3 4.170 . 4.670 3.162 3.076 3.328 . 0 0 "[ . 1 . 2]" 1 1831 1 105 LYS HB2 1 106 GLU HA 5.500 . 6.000 4.833 4.539 4.966 . 0 0 "[ . 1 . 2]" 1 1832 1 105 LYS QD 2 5 A H2 5.050 . 5.550 4.221 3.796 4.480 . 0 0 "[ . 1 . 2]" 1 1833 1 105 LYS HD3 1 112 TYR QD 6.170 . 6.670 4.681 3.811 5.189 . 0 0 "[ . 1 . 2]" 1 1834 1 105 LYS QE 1 112 TYR QD 6.530 . 7.030 5.098 4.713 5.255 . 0 0 "[ . 1 . 2]" 1 1835 1 105 LYS QE 1 112 TYR QE 6.150 . 6.650 4.481 4.136 4.756 . 0 0 "[ . 1 . 2]" 1 1836 1 105 LYS QE 2 5 A H1' 5.610 . 6.110 5.203 5.111 5.322 . 0 0 "[ . 1 . 2]" 1 1837 1 105 LYS QE 2 5 A H2 4.490 . 4.990 2.448 1.890 2.769 . 0 0 "[ . 1 . 2]" 1 1838 1 105 LYS QG 2 5 A H2 5.050 . 5.550 2.949 2.714 3.105 . 0 0 "[ . 1 . 2]" 1 1839 1 105 LYS HG2 1 112 TYR HB2 5.500 . 6.000 5.184 4.600 5.468 . 0 0 "[ . 1 . 2]" 1 1840 1 105 LYS HG2 1 112 TYR QD 5.680 . 6.180 3.609 2.975 3.991 . 0 0 "[ . 1 . 2]" 1 1841 1 105 LYS HG2 1 112 TYR QE 6.170 . 6.670 4.032 3.563 4.595 . 0 0 "[ . 1 . 2]" 1 1842 1 105 LYS HG2 1 114 GLU HA 4.900 . 5.400 4.489 4.043 4.906 . 0 0 "[ . 1 . 2]" 1 1843 1 106 GLU H 1 106 GLU QB 3.640 . 4.140 2.174 2.047 2.403 . 0 0 "[ . 1 . 2]" 1 1844 1 106 GLU H 1 106 GLU HG2 4.050 . 4.550 3.661 2.458 4.476 . 0 0 "[ . 1 . 2]" 1 1845 1 106 GLU H 1 106 GLU HG3 3.920 . 4.420 4.126 3.848 4.348 . 0 0 "[ . 1 . 2]" 1 1846 1 106 GLU H 1 107 ARG H 4.890 . 5.390 4.351 2.461 4.614 . 0 0 "[ . 1 . 2]" 1 1847 1 106 GLU H 1 112 TYR HB2 5.500 . 6.000 4.928 4.383 5.363 . 0 0 "[ . 1 . 2]" 1 1848 1 106 GLU H 1 114 GLU HA 4.740 . 5.240 4.823 4.709 4.991 . 0 0 "[ . 1 . 2]" 1 1849 1 106 GLU H 1 115 VAL MG1 6.440 . 6.940 4.461 4.243 4.715 . 0 0 "[ . 1 . 2]" 1 1850 1 106 GLU HA 1 106 GLU HG2 3.820 . 4.320 3.488 2.893 3.884 . 0 0 "[ . 1 . 2]" 1 1851 1 106 GLU HA 1 106 GLU HG3 3.650 . 4.150 3.360 2.522 3.683 . 0 0 "[ . 1 . 2]" 1 1852 1 106 GLU HA 1 107 ARG H 3.390 . 3.890 2.713 2.477 3.450 . 0 0 "[ . 1 . 2]" 1 1853 1 106 GLU HA 1 107 ARG HA 5.500 . 6.000 4.481 4.286 5.150 . 0 0 "[ . 1 . 2]" 1 1854 1 106 GLU HA 1 107 ARG HB3 5.180 . 5.680 5.473 5.397 5.662 . 0 0 "[ . 1 . 2]" 1 1855 1 106 GLU HA 1 107 ARG HG2 4.120 . 4.620 4.194 4.151 4.250 . 0 0 "[ . 1 . 2]" 1 1856 1 106 GLU HA 1 107 ARG HG3 5.500 . 6.000 2.976 2.855 3.160 . 0 0 "[ . 1 . 2]" 1 1857 1 106 GLU QB 1 107 ARG H 3.850 . 4.350 2.630 1.781 3.348 0.019 18 0 "[ . 1 . 2]" 1 1858 1 106 GLU QB 1 107 ARG HA 5.850 . 6.350 4.466 4.060 4.873 . 0 0 "[ . 1 . 2]" 1 1859 1 106 GLU QB 1 115 VAL MG1 7.320 . 7.820 4.393 4.100 4.798 . 0 0 "[ . 1 . 2]" 1 1860 1 106 GLU HG2 1 107 ARG H 4.330 . 4.830 4.118 3.411 5.056 0.226 12 0 "[ . 1 . 2]" 1 1861 1 106 GLU HG3 1 107 ARG H 4.230 . 4.730 3.127 1.779 4.243 0.021 2 0 "[ . 1 . 2]" 1 1862 1 107 ARG H 1 107 ARG HB2 4.090 . 4.590 2.718 2.468 3.812 . 0 0 "[ . 1 . 2]" 1 1863 1 107 ARG H 1 107 ARG HB3 3.420 . 3.920 3.755 3.616 3.987 0.067 17 0 "[ . 1 . 2]" 1 1864 1 107 ARG H 1 107 ARG HD2 4.920 . 5.420 4.559 4.197 5.266 . 0 0 "[ . 1 . 2]" 1 1865 1 107 ARG H 1 107 ARG HD3 5.110 . 5.610 5.167 4.900 5.246 . 0 0 "[ . 1 . 2]" 1 1866 1 107 ARG H 1 107 ARG HG2 4.350 . 4.850 3.716 2.923 3.933 . 0 0 "[ . 1 . 2]" 1 1867 1 107 ARG H 1 107 ARG HG3 4.710 . 5.210 2.844 2.394 3.378 . 0 0 "[ . 1 . 2]" 1 1868 1 107 ARG H 1 108 ILE H 4.880 . 5.380 4.501 4.455 4.604 . 0 0 "[ . 1 . 2]" 1 1869 1 107 ARG HA 1 107 ARG HD2 4.870 . 5.370 4.642 3.859 4.700 . 0 0 "[ . 1 . 2]" 1 1870 1 107 ARG HA 1 107 ARG HD3 4.930 . 5.430 4.250 4.109 4.676 . 0 0 "[ . 1 . 2]" 1 1871 1 107 ARG HA 1 107 ARG HG2 3.640 . 4.140 2.525 2.479 2.662 . 0 0 "[ . 1 . 2]" 1 1872 1 107 ARG HA 1 108 ILE H 3.460 . 3.960 2.356 2.217 2.496 . 0 0 "[ . 1 . 2]" 1 1873 1 107 ARG HA 1 108 ILE HA 5.280 . 5.780 4.416 4.339 4.498 . 0 0 "[ . 1 . 2]" 1 1874 1 107 ARG HA 1 108 ILE HB 5.360 . 5.860 4.088 3.868 4.233 . 0 0 "[ . 1 . 2]" 1 1875 1 107 ARG HA 1 108 ILE MG 6.610 . 7.110 5.018 4.268 5.420 . 0 0 "[ . 1 . 2]" 1 1876 1 107 ARG HA 1 111 ARG H 5.370 . 5.870 4.434 4.060 4.957 . 0 0 "[ . 1 . 2]" 1 1877 1 107 ARG HA 1 112 TYR HB2 5.000 . 5.500 3.902 3.664 4.116 . 0 0 "[ . 1 . 2]" 1 1878 1 107 ARG HA 1 112 TYR HB3 4.900 . 5.400 4.155 4.001 4.396 . 0 0 "[ . 1 . 2]" 1 1879 1 107 ARG HA 1 113 ILE H 4.480 . 4.980 2.954 2.319 3.278 . 0 0 "[ . 1 . 2]" 1 1880 1 107 ARG HA 1 113 ILE HB 5.410 . 5.910 4.141 3.358 4.588 . 0 0 "[ . 1 . 2]" 1 1881 1 107 ARG HA 1 113 ILE MD 6.390 . 6.890 4.014 3.683 4.366 . 0 0 "[ . 1 . 2]" 1 1882 1 107 ARG HA 1 113 ILE HG12 4.860 . 5.360 2.618 2.205 2.947 . 0 0 "[ . 1 . 2]" 1 1883 1 107 ARG HA 1 113 ILE HG13 5.500 . 6.000 4.041 3.590 4.392 . 0 0 "[ . 1 . 2]" 1 1884 1 107 ARG HB2 1 108 ILE H 3.710 . 4.210 3.634 3.126 3.802 . 0 0 "[ . 1 . 2]" 1 1885 1 107 ARG HB3 1 107 ARG HD2 3.210 . 3.710 2.960 2.252 3.034 . 0 0 "[ . 1 . 2]" 1 1886 1 107 ARG HB3 1 107 ARG HD3 4.180 . 4.680 2.476 2.370 3.540 . 0 0 "[ . 1 . 2]" 1 1887 1 107 ARG HB3 1 108 ILE H 4.510 . 5.010 2.539 2.218 2.715 . 0 0 "[ . 1 . 2]" 1 1888 1 107 ARG HB3 1 108 ILE HA 5.070 . 5.570 4.677 4.514 4.841 . 0 0 "[ . 1 . 2]" 1 1889 1 107 ARG HD3 1 108 ILE H 5.500 . 6.000 4.857 4.652 5.723 . 0 0 "[ . 1 . 2]" 1 1890 1 107 ARG HG2 1 108 ILE H 4.890 . 5.390 4.210 4.078 4.477 . 0 0 "[ . 1 . 2]" 1 1891 1 107 ARG HG2 1 112 TYR HB2 5.500 . 6.000 2.939 2.266 3.623 . 0 0 "[ . 1 . 2]" 1 1892 1 107 ARG HG2 1 112 TYR HB3 5.500 . 6.000 2.524 2.233 3.042 . 0 0 "[ . 1 . 2]" 1 1893 1 107 ARG HG3 1 108 ILE H 5.250 . 5.750 4.984 4.904 5.055 . 0 0 "[ . 1 . 2]" 1 1894 1 107 ARG HG3 1 112 TYR HB2 5.450 . 5.950 4.019 3.771 4.597 . 0 0 "[ . 1 . 2]" 1 1895 1 107 ARG HG3 1 112 TYR HB3 5.500 . 6.000 3.974 3.503 4.469 . 0 0 "[ . 1 . 2]" 1 1896 1 108 ILE H 1 108 ILE HG12 5.390 . 5.890 4.487 4.153 4.699 . 0 0 "[ . 1 . 2]" 1 1897 1 108 ILE H 1 108 ILE HG13 5.500 . 6.000 3.802 3.098 4.543 . 0 0 "[ . 1 . 2]" 1 1898 1 108 ILE H 1 109 GLY H 5.120 . 5.620 2.107 1.760 2.334 0.040 6 0 "[ . 1 . 2]" 1 1899 1 108 ILE H 1 111 ARG H 4.180 . 4.680 3.042 2.827 3.667 . 0 0 "[ . 1 . 2]" 1 1900 1 108 ILE H 1 113 ILE H 4.830 . 5.330 4.804 4.285 4.940 . 0 0 "[ . 1 . 2]" 1 1901 1 108 ILE H 1 113 ILE MD 5.430 . 5.930 3.604 3.377 3.924 . 0 0 "[ . 1 . 2]" 1 1902 1 108 ILE H 1 113 ILE HG12 5.350 . 5.850 3.136 2.969 3.256 . 0 0 "[ . 1 . 2]" 1 1903 1 108 ILE H 1 113 ILE HG13 5.500 . 6.000 4.021 3.863 4.184 . 0 0 "[ . 1 . 2]" 1 1904 1 108 ILE H 1 113 ILE MG 6.610 . 7.110 5.604 5.488 5.665 . 0 0 "[ . 1 . 2]" 1 1905 1 108 ILE HA 1 108 ILE HG12 4.170 . 4.670 2.440 2.256 2.808 . 0 0 "[ . 1 . 2]" 1 1906 1 108 ILE HA 1 109 GLY H 3.200 . 3.700 3.402 3.319 3.446 . 0 0 "[ . 1 . 2]" 1 1907 1 108 ILE HA 1 113 ILE MD 6.590 . 7.090 4.756 4.573 5.042 . 0 0 "[ . 1 . 2]" 1 1908 1 108 ILE HB 1 109 GLY H 5.500 . 6.000 3.757 3.240 4.315 . 0 0 "[ . 1 . 2]" 1 1909 1 108 ILE HB 1 113 ILE MD 5.210 . 5.710 2.460 2.230 3.085 . 0 0 "[ . 1 . 2]" 1 1910 1 108 ILE HB 1 113 ILE HG12 5.020 . 5.520 3.067 2.509 3.648 . 0 0 "[ . 1 . 2]" 1 1911 1 108 ILE MD 1 109 GLY H 6.610 . 7.110 5.348 5.113 5.471 . 0 0 "[ . 1 . 2]" 1 1912 1 108 ILE MD 1 113 ILE HB 6.610 . 7.110 4.556 4.116 5.512 . 0 0 "[ . 1 . 2]" 1 1913 1 108 ILE MD 1 113 ILE MD 6.530 . 7.030 2.335 1.983 3.382 . 0 0 "[ . 1 . 2]" 1 1914 1 108 ILE MD 1 113 ILE HG12 6.610 . 7.110 3.694 3.393 4.632 . 0 0 "[ . 1 . 2]" 1 1915 1 108 ILE MD 1 113 ILE HG13 6.610 . 7.110 2.534 2.126 3.482 . 0 0 "[ . 1 . 2]" 1 1916 1 108 ILE MD 1 113 ILE MG 7.630 . 8.130 3.222 2.846 4.199 . 0 0 "[ . 1 . 2]" 1 1917 1 108 ILE HG12 1 109 GLY H 5.500 . 6.000 5.156 4.811 5.311 . 0 0 "[ . 1 . 2]" 1 1918 1 108 ILE HG13 1 109 GLY H 5.500 . 6.000 5.077 4.745 5.297 . 0 0 "[ . 1 . 2]" 1 1919 1 108 ILE HG13 1 113 ILE MD 6.570 . 7.070 3.611 2.914 4.879 . 0 0 "[ . 1 . 2]" 1 1920 1 108 ILE MG 1 109 GLY H 4.950 . 5.450 3.298 2.940 3.611 . 0 0 "[ . 1 . 2]" 1 1921 1 108 ILE MG 1 109 GLY HA3 5.820 . 6.320 3.470 3.305 3.603 . 0 0 "[ . 1 . 2]" 1 1922 1 108 ILE MG 1 110 HIS HE1 6.610 . 7.110 4.108 3.195 5.361 . 0 0 "[ . 1 . 2]" 1 1923 1 108 ILE MG 1 111 ARG H 5.800 . 6.300 3.899 2.902 4.937 . 0 0 "[ . 1 . 2]" 1 1924 1 108 ILE MG 1 111 ARG HB3 6.350 . 6.850 3.711 2.688 4.460 . 0 0 "[ . 1 . 2]" 1 1925 1 108 ILE MG 1 111 ARG HD2 6.610 . 7.110 5.101 3.955 5.608 . 0 0 "[ . 1 . 2]" 1 1926 1 108 ILE MG 1 113 ILE MD 6.590 . 7.090 3.128 2.181 3.943 . 0 0 "[ . 1 . 2]" 1 1927 1 109 GLY HA2 1 111 ARG H 4.930 . 5.430 4.649 3.524 4.782 . 0 0 "[ . 1 . 2]" 1 1928 1 109 GLY HA3 1 111 ARG H 5.500 . 6.000 4.490 4.101 4.619 . 0 0 "[ . 1 . 2]" 1 1929 1 110 HIS HB2 1 111 ARG H 5.500 . 6.000 4.479 4.379 4.632 . 0 0 "[ . 1 . 2]" 1 1930 1 110 HIS HB3 1 110 HIS HD2 3.560 . 4.060 3.588 2.916 3.654 . 0 0 "[ . 1 . 2]" 1 1931 1 110 HIS HB3 1 111 ARG H 4.980 . 5.480 4.333 4.251 4.423 . 0 0 "[ . 1 . 2]" 1 1932 1 110 HIS HD2 1 111 ARG HA 5.500 . 6.000 5.282 5.033 5.650 . 0 0 "[ . 1 . 2]" 1 1933 1 110 HIS HE1 1 111 ARG HA 5.500 . 6.000 5.689 5.637 5.732 . 0 0 "[ . 1 . 2]" 1 1934 1 111 ARG H 1 112 TYR H 5.500 . 6.000 4.393 4.270 4.429 . 0 0 "[ . 1 . 2]" 1 1935 1 111 ARG H 1 113 ILE MD 6.610 . 7.110 4.789 4.516 5.136 . 0 0 "[ . 1 . 2]" 1 1936 1 111 ARG HA 1 111 ARG HD2 4.520 . 5.020 4.278 2.006 4.626 . 0 0 "[ . 1 . 2]" 1 1937 1 111 ARG HA 1 111 ARG HD3 4.810 . 5.310 4.529 3.267 4.785 . 0 0 "[ . 1 . 2]" 1 1938 1 111 ARG HA 1 112 TYR HB3 5.500 . 6.000 4.422 4.303 4.663 . 0 0 "[ . 1 . 2]" 1 1939 1 111 ARG HA 1 112 TYR QD 5.050 . 5.550 3.637 3.351 3.982 . 0 0 "[ . 1 . 2]" 1 1940 1 111 ARG HA 1 112 TYR QE 6.170 . 6.670 5.501 5.188 5.657 . 0 0 "[ . 1 . 2]" 1 1941 1 111 ARG HA 1 113 ILE MD 6.610 . 7.110 5.128 4.873 5.366 . 0 0 "[ . 1 . 2]" 1 1942 1 111 ARG HA 2 3 G H1 5.000 . 5.500 5.069 4.625 5.164 . 0 0 "[ . 1 . 2]" 1 1943 1 111 ARG HB2 1 112 TYR H 5.500 . 6.000 4.098 3.854 4.398 . 0 0 "[ . 1 . 2]" 1 1944 1 111 ARG HB2 1 113 ILE MD 6.350 . 6.850 4.640 3.830 5.024 . 0 0 "[ . 1 . 2]" 1 1945 1 111 ARG HB2 2 3 G H1 5.500 . 6.000 5.714 5.612 5.816 . 0 0 "[ . 1 . 2]" 1 1946 1 111 ARG HB3 1 112 TYR H 5.500 . 6.000 3.707 2.806 4.189 . 0 0 "[ . 1 . 2]" 1 1947 1 111 ARG HB3 1 113 ILE MD 6.360 . 6.860 3.224 2.544 3.563 . 0 0 "[ . 1 . 2]" 1 1948 1 111 ARG HB3 2 3 G H1 5.500 . 6.000 5.087 4.500 5.309 . 0 0 "[ . 1 . 2]" 1 1949 1 111 ARG HD2 1 112 TYR H 5.500 . 6.000 4.698 3.677 5.212 . 0 0 "[ . 1 . 2]" 1 1950 1 111 ARG HD2 1 113 ILE MD 6.610 . 7.110 3.909 3.356 5.563 . 0 0 "[ . 1 . 2]" 1 1951 1 111 ARG HG2 2 3 G H1 4.000 . 4.500 2.984 2.609 4.038 . 0 0 "[ . 1 . 2]" 1 1952 1 111 ARG HG3 2 3 G H1 4.000 . 4.500 3.519 2.742 3.749 . 0 0 "[ . 1 . 2]" 1 1953 1 112 TYR H 1 112 TYR QD 5.380 . 5.880 2.125 1.913 2.405 . 0 0 "[ . 1 . 2]" 1 1954 1 112 TYR H 1 112 TYR QE 6.170 . 6.670 4.111 3.981 4.256 . 0 0 "[ . 1 . 2]" 1 1955 1 112 TYR H 2 3 G H1 3.000 . 3.500 3.078 2.802 3.177 . 0 0 "[ . 1 . 2]" 1 1956 1 112 TYR HA 2 3 G H1 5.000 . 5.500 4.689 4.392 4.794 . 0 0 "[ . 1 . 2]" 1 1957 1 112 TYR HB2 1 113 ILE H 5.000 . 5.500 2.681 2.489 3.174 . 0 0 "[ . 1 . 2]" 1 1958 1 112 TYR HB2 2 3 G H1 5.000 . 5.500 4.865 4.442 5.025 . 0 0 "[ . 1 . 2]" 1 1959 1 112 TYR HB3 1 113 ILE H 4.950 . 5.450 3.965 3.854 4.199 . 0 0 "[ . 1 . 2]" 1 1960 1 112 TYR HB3 2 3 G H1 5.000 . 5.500 4.960 4.605 5.148 . 0 0 "[ . 1 . 2]" 1 1961 1 112 TYR QD 1 114 GLU HG2 6.170 . 6.670 3.416 3.058 4.521 . 0 0 "[ . 1 . 2]" 1 1962 1 112 TYR QD 1 114 GLU HG3 6.170 . 6.670 4.435 3.665 5.358 . 0 0 "[ . 1 . 2]" 1 1963 1 112 TYR QD 2 3 G H1 3.930 . 4.430 3.564 3.357 3.639 . 0 0 "[ . 1 . 2]" 1 1964 1 112 TYR QD 2 5 A H2 5.610 . 6.110 5.094 4.968 5.166 . 0 0 "[ . 1 . 2]" 1 1965 1 112 TYR QE 1 114 GLU HG2 5.690 . 6.190 3.567 2.919 4.875 . 0 0 "[ . 1 . 2]" 1 1966 1 112 TYR QE 1 114 GLU HG3 6.170 . 6.670 4.212 3.639 4.963 . 0 0 "[ . 1 . 2]" 1 1967 1 112 TYR QE 2 3 G H1 4.490 . 4.990 3.920 3.763 4.071 . 0 0 "[ . 1 . 2]" 1 1968 1 112 TYR QE 2 3 G H1' 5.610 . 6.110 4.282 3.770 4.731 . 0 0 "[ . 1 . 2]" 1 1969 1 112 TYR QE 2 3 G H8 5.610 . 6.110 5.015 4.441 5.181 . 0 0 "[ . 1 . 2]" 1 1970 1 112 TYR QE 2 5 A H2 5.610 . 6.110 4.149 3.952 4.332 . 0 0 "[ . 1 . 2]" 1 1971 1 112 TYR O 2 3 G H1 2.400 . 2.900 1.831 1.757 1.899 0.043 3 0 "[ . 1 . 2]" 1 1972 1 112 TYR O 2 3 G N1 3.400 2.400 3.900 2.794 2.742 2.855 . 0 0 "[ . 1 . 2]" 1 1973 1 113 ILE H 1 113 ILE HG12 5.070 . 5.570 2.587 2.144 2.779 . 0 0 "[ . 1 . 2]" 1 1974 1 113 ILE H 1 113 ILE HG13 5.500 . 6.000 3.971 3.636 4.099 . 0 0 "[ . 1 . 2]" 1 1975 1 113 ILE HA 1 114 GLU QB 5.620 . 6.120 4.497 3.955 4.722 . 0 0 "[ . 1 . 2]" 1 1976 1 113 ILE HA 1 114 GLU HG2 5.500 . 6.000 3.880 3.100 4.386 . 0 0 "[ . 1 . 2]" 1 1977 1 113 ILE HB 1 115 VAL MG1 6.140 . 6.640 4.195 3.952 4.380 . 0 0 "[ . 1 . 2]" 1 1978 1 113 ILE MD 1 114 GLU H 6.110 . 6.610 3.851 3.695 3.960 . 0 0 "[ . 1 . 2]" 1 1979 1 113 ILE MD 2 3 G H1 4.800 . 5.300 3.665 3.405 4.021 . 0 0 "[ . 1 . 2]" 1 1980 1 113 ILE MG 1 114 GLU H 5.220 . 5.720 1.965 1.749 2.099 0.051 13 0 "[ . 1 . 2]" 1 1981 1 113 ILE MG 1 114 GLU HG2 6.610 . 7.110 4.641 4.006 4.978 . 0 0 "[ . 1 . 2]" 1 1982 1 113 ILE MG 1 115 VAL MG1 5.960 . 6.460 3.303 3.099 3.566 . 0 0 "[ . 1 . 2]" 1 1983 1 113 ILE MG 1 115 VAL MG2 7.930 . 8.430 5.109 4.855 5.420 . 0 0 "[ . 1 . 2]" 1 1984 1 113 ILE MG 2 3 G H1 6.000 . 6.500 5.271 5.123 5.349 . 0 0 "[ . 1 . 2]" 1 1985 1 114 GLU H 1 114 GLU HG3 5.400 . 5.900 3.121 2.615 4.302 . 0 0 "[ . 1 . 2]" 1 1986 1 114 GLU H 1 115 VAL H 5.500 . 6.000 4.413 3.830 4.485 . 0 0 "[ . 1 . 2]" 1 1987 1 114 GLU H 2 3 G H1 5.500 . 6.000 5.567 5.455 5.757 . 0 0 "[ . 1 . 2]" 1 1988 1 114 GLU QB 1 116 PHE QE 6.930 . 7.430 2.347 2.095 2.895 . 0 0 "[ . 1 . 2]" 1 1989 1 114 GLU QB 1 116 PHE HZ 4.190 . 4.690 2.813 2.436 3.752 . 0 0 "[ . 1 . 2]" 1 1990 1 114 GLU HG2 2 3 G H1 5.000 . 5.500 4.981 4.154 5.311 . 0 0 "[ . 1 . 2]" 1 1991 1 114 GLU HG3 1 116 PHE QE 5.030 . 5.530 4.300 3.686 4.548 . 0 0 "[ . 1 . 2]" 1 1992 1 114 GLU HG3 2 3 G H1 5.000 . 5.500 4.741 4.366 5.306 . 0 0 "[ . 1 . 2]" 1 1993 1 115 VAL HA 1 116 PHE H 3.180 . 3.680 2.284 2.092 2.915 . 0 0 "[ . 1 . 2]" 1 1994 1 115 VAL MG2 1 116 PHE H 4.500 . 5.000 3.831 3.656 3.947 . 0 0 "[ . 1 . 2]" 1 1995 1 115 VAL MG2 1 116 PHE HA 5.320 . 5.820 3.888 3.619 4.074 . 0 0 "[ . 1 . 2]" 1 1996 1 116 PHE H 1 116 PHE HB2 4.170 . 4.670 2.728 2.543 2.841 . 0 0 "[ . 1 . 2]" 1 1997 1 116 PHE H 1 116 PHE HB3 4.110 . 4.610 3.801 3.542 3.901 . 0 0 "[ . 1 . 2]" 1 1998 1 116 PHE H 1 116 PHE QD 4.780 . 5.280 3.501 2.517 3.847 . 0 0 "[ . 1 . 2]" 1 1999 1 116 PHE H 1 117 LYS HA 5.500 . 6.000 4.851 4.617 5.675 . 0 0 "[ . 1 . 2]" 1 2000 1 116 PHE HA 1 116 PHE QD 4.190 . 4.690 2.529 2.304 2.784 . 0 0 "[ . 1 . 2]" 1 2001 1 116 PHE HA 1 117 LYS H 3.180 . 3.680 2.407 2.327 2.535 . 0 0 "[ . 1 . 2]" 1 2002 1 116 PHE HA 1 117 LYS HA 4.970 . 5.470 4.390 4.351 4.421 . 0 0 "[ . 1 . 2]" 1 2003 1 116 PHE HA 1 117 LYS HB3 5.500 . 6.000 5.434 5.264 5.667 . 0 0 "[ . 1 . 2]" 1 2004 1 116 PHE HA 1 117 LYS HG3 5.500 . 6.000 5.666 5.544 5.754 . 0 0 "[ . 1 . 2]" 1 2005 1 116 PHE QB 2 6 U H1' 5.610 . 6.110 4.347 3.992 5.044 . 0 0 "[ . 1 . 2]" 1 2006 1 116 PHE HB2 1 117 LYS H 3.850 . 4.350 3.691 3.454 3.833 . 0 0 "[ . 1 . 2]" 1 2007 1 116 PHE HB2 1 117 LYS HB2 5.490 . 5.990 5.721 5.585 5.859 . 0 0 "[ . 1 . 2]" 1 2008 1 116 PHE HB3 1 117 LYS H 4.160 . 4.660 2.805 2.608 3.039 . 0 0 "[ . 1 . 2]" 1 2009 1 116 PHE HB3 1 117 LYS HA 5.500 . 6.000 4.925 4.792 5.006 . 0 0 "[ . 1 . 2]" 1 2010 1 116 PHE QD 2 5 A H2 6.170 . 6.670 5.830 5.633 6.257 . 0 0 "[ . 1 . 2]" 1 2011 1 116 PHE QD 2 6 U H1' 6.170 . 6.670 3.180 2.629 4.043 . 0 0 "[ . 1 . 2]" 1 2012 1 116 PHE QD 2 6 U H2' 4.490 . 4.990 4.107 3.652 4.277 . 0 0 "[ . 1 . 2]" 1 2013 1 116 PHE QE 2 5 A H2 5.610 . 6.110 3.997 3.626 4.264 . 0 0 "[ . 1 . 2]" 1 2014 1 116 PHE QE 2 6 U H1' 6.170 . 6.670 2.576 2.296 2.949 . 0 0 "[ . 1 . 2]" 1 2015 1 116 PHE QE 2 6 U H2' 4.490 . 4.990 3.080 2.468 4.084 . 0 0 "[ . 1 . 2]" 1 2016 1 116 PHE QE 2 6 U H3' 5.610 . 6.110 4.952 4.676 5.390 . 0 0 "[ . 1 . 2]" 1 2017 1 116 PHE QE 2 6 U H5 6.170 . 6.670 5.227 3.933 5.689 . 0 0 "[ . 1 . 2]" 1 2018 1 116 PHE HZ 2 6 U H2' 5.000 . 5.500 4.205 3.503 5.214 . 0 0 "[ . 1 . 2]" 1 2019 1 116 PHE HZ 2 6 U H5 5.500 . 6.000 5.214 4.163 5.645 . 0 0 "[ . 1 . 2]" 1 2020 1 117 LYS H 1 117 LYS HB2 3.460 . 3.960 2.171 2.014 2.333 . 0 0 "[ . 1 . 2]" 1 2021 1 117 LYS H 1 117 LYS HB3 3.340 . 3.840 3.056 2.921 3.383 . 0 0 "[ . 1 . 2]" 1 2022 1 117 LYS H 1 117 LYS HD2 5.500 . 6.000 4.902 4.766 5.163 . 0 0 "[ . 1 . 2]" 1 2023 1 117 LYS H 1 117 LYS HD3 5.090 . 5.590 5.095 4.644 5.234 . 0 0 "[ . 1 . 2]" 1 2024 1 117 LYS H 1 117 LYS HG2 4.640 . 5.140 4.265 3.163 4.504 . 0 0 "[ . 1 . 2]" 1 2025 1 117 LYS H 1 117 LYS HG3 4.540 . 5.040 3.990 3.812 4.136 . 0 0 "[ . 1 . 2]" 1 2026 1 117 LYS H 1 118 SER H 5.290 . 5.790 4.664 4.618 4.695 . 0 0 "[ . 1 . 2]" 1 2027 1 117 LYS H 1 118 SER HB2 5.480 . 5.980 5.409 5.292 5.510 . 0 0 "[ . 1 . 2]" 1 2028 1 117 LYS HA 1 117 LYS HD3 4.370 . 4.870 4.003 2.213 4.394 . 0 0 "[ . 1 . 2]" 1 2029 1 117 LYS HA 1 117 LYS QE 4.530 . 5.030 4.220 4.108 4.416 . 0 0 "[ . 1 . 2]" 1 2030 1 117 LYS HA 1 118 SER H 3.260 . 3.760 2.420 2.281 2.508 . 0 0 "[ . 1 . 2]" 1 2031 1 117 LYS HA 1 118 SER HB3 4.970 . 5.470 4.623 4.494 4.700 . 0 0 "[ . 1 . 2]" 1 2032 1 117 LYS HB2 1 117 LYS HD3 3.370 . 3.870 3.287 3.120 3.718 . 0 0 "[ . 1 . 2]" 1 2033 1 117 LYS HB2 1 117 LYS QE 4.610 . 5.110 4.092 3.941 4.413 . 0 0 "[ . 1 . 2]" 1 2034 1 117 LYS HB2 1 118 SER H 4.540 . 5.040 4.105 3.963 4.187 . 0 0 "[ . 1 . 2]" 1 2035 1 117 LYS HD3 1 118 SER H 4.940 . 5.440 3.611 2.089 4.169 . 0 0 "[ . 1 . 2]" 1 2036 1 117 LYS HD3 1 118 SER HA 5.130 . 5.630 5.277 4.789 5.434 . 0 0 "[ . 1 . 2]" 1 2037 1 117 LYS QE 1 118 SER H 6.120 . 6.620 4.047 3.850 4.406 . 0 0 "[ . 1 . 2]" 1 2038 1 117 LYS HG2 1 118 SER H 3.770 . 4.270 2.292 1.747 4.032 0.053 8 0 "[ . 1 . 2]" 1 2039 1 117 LYS HG3 1 118 SER H 4.770 . 5.270 3.673 3.352 4.699 . 0 0 "[ . 1 . 2]" 1 2040 1 118 SER H 1 119 SER H 5.220 . 5.720 4.380 4.352 4.404 . 0 0 "[ . 1 . 2]" 1 2041 1 118 SER HB2 1 119 SER H 4.140 . 4.640 3.649 3.592 3.753 . 0 0 "[ . 1 . 2]" 1 2042 1 118 SER HB3 1 119 SER H 4.260 . 4.760 2.974 2.855 3.141 . 0 0 "[ . 1 . 2]" 1 2043 1 119 SER H 1 122 GLU H 4.650 . 5.150 3.667 3.486 3.772 . 0 0 "[ . 1 . 2]" 1 2044 1 119 SER H 1 123 VAL H 5.230 . 5.730 5.274 5.210 5.311 . 0 0 "[ . 1 . 2]" 1 2045 1 119 SER H 1 123 VAL MG1 6.410 . 6.910 4.400 4.324 4.514 . 0 0 "[ . 1 . 2]" 1 2046 1 119 SER HA 1 120 GLN H 3.570 . 4.070 2.479 2.435 2.541 . 0 0 "[ . 1 . 2]" 1 2047 1 119 SER HA 1 120 GLN HA 5.200 . 5.700 4.333 4.265 4.419 . 0 0 "[ . 1 . 2]" 1 2048 1 119 SER HA 1 120 GLN HB3 4.730 . 5.230 4.843 4.783 4.918 . 0 0 "[ . 1 . 2]" 1 2049 1 119 SER HA 1 121 GLU H 4.840 . 5.340 4.263 4.077 4.385 . 0 0 "[ . 1 . 2]" 1 2050 1 119 SER HA 1 122 GLU H 5.500 . 6.000 4.960 4.790 5.073 . 0 0 "[ . 1 . 2]" 1 2051 1 119 SER HB2 1 120 GLN H 4.050 . 4.550 3.602 3.491 3.749 . 0 0 "[ . 1 . 2]" 1 2052 1 119 SER HB2 1 120 GLN HA 5.500 . 6.000 5.475 5.118 5.968 . 0 0 "[ . 1 . 2]" 1 2053 1 119 SER HB2 1 121 GLU H 4.500 . 5.000 3.356 2.755 4.329 . 0 0 "[ . 1 . 2]" 1 2054 1 119 SER HB2 1 121 GLU QB 5.290 . 5.790 3.674 2.739 4.733 . 0 0 "[ . 1 . 2]" 1 2055 1 119 SER HB2 1 122 GLU H 5.350 . 5.850 4.332 3.273 5.423 . 0 0 "[ . 1 . 2]" 1 2056 1 119 SER HB3 1 120 GLN H 4.070 . 4.570 2.675 2.294 3.453 . 0 0 "[ . 1 . 2]" 1 2057 1 119 SER HB3 1 120 GLN HA 5.150 . 5.650 4.919 4.761 5.162 . 0 0 "[ . 1 . 2]" 1 2058 1 119 SER HB3 1 121 GLU H 4.540 . 5.040 2.823 2.623 3.051 . 0 0 "[ . 1 . 2]" 1 2059 1 119 SER HB3 1 121 GLU QB 5.330 . 5.830 3.629 2.831 4.501 . 0 0 "[ . 1 . 2]" 1 2060 1 119 SER HB3 1 122 GLU H 5.500 . 6.000 4.423 3.749 4.986 . 0 0 "[ . 1 . 2]" 1 2061 1 120 GLN H 1 120 GLN HB2 3.930 . 4.430 2.487 2.413 2.534 . 0 0 "[ . 1 . 2]" 1 2062 1 120 GLN H 1 120 GLN HB3 3.850 . 4.350 2.368 2.335 2.418 . 0 0 "[ . 1 . 2]" 1 2063 1 120 GLN H 1 120 GLN HG2 4.550 . 5.050 4.521 4.507 4.546 . 0 0 "[ . 1 . 2]" 1 2064 1 120 GLN H 1 120 GLN HG3 4.580 . 5.080 4.386 4.365 4.414 . 0 0 "[ . 1 . 2]" 1 2065 1 120 GLN H 1 121 GLU H 3.960 . 4.460 2.734 2.623 2.826 . 0 0 "[ . 1 . 2]" 1 2066 1 120 GLN H 1 121 GLU HA 5.500 . 6.000 5.312 5.237 5.385 . 0 0 "[ . 1 . 2]" 1 2067 1 120 GLN HA 1 120 GLN HE21 4.750 . 5.250 2.467 2.346 2.568 . 0 0 "[ . 1 . 2]" 1 2068 1 120 GLN HA 1 120 GLN HE22 5.500 . 6.000 3.288 3.239 3.353 . 0 0 "[ . 1 . 2]" 1 2069 1 120 GLN HA 1 120 GLN HG2 4.000 . 4.500 3.852 3.827 3.874 . 0 0 "[ . 1 . 2]" 1 2070 1 120 GLN HA 1 120 GLN HG3 3.800 . 4.300 3.158 3.111 3.192 . 0 0 "[ . 1 . 2]" 1 2071 1 120 GLN HA 1 121 GLU HA 5.210 . 5.710 4.825 4.784 4.856 . 0 0 "[ . 1 . 2]" 1 2072 1 120 GLN HA 1 122 GLU H 4.940 . 5.440 3.519 3.410 3.717 . 0 0 "[ . 1 . 2]" 1 2073 1 120 GLN HA 1 122 GLU HB2 5.150 . 5.650 5.104 5.004 5.187 . 0 0 "[ . 1 . 2]" 1 2074 1 120 GLN HA 1 123 VAL H 4.440 . 4.940 3.418 3.349 3.481 . 0 0 "[ . 1 . 2]" 1 2075 1 120 GLN HA 1 123 VAL HA 5.500 . 6.000 5.535 5.491 5.576 . 0 0 "[ . 1 . 2]" 1 2076 1 120 GLN HA 1 123 VAL HB 4.300 . 4.800 4.437 4.408 4.469 . 0 0 "[ . 1 . 2]" 1 2077 1 120 GLN HA 1 123 VAL MG1 4.700 . 5.200 1.964 1.941 1.988 . 0 0 "[ . 1 . 2]" 1 2078 1 120 GLN HA 1 123 VAL MG2 5.380 . 5.880 4.638 4.600 4.672 . 0 0 "[ . 1 . 2]" 1 2079 1 120 GLN HA 1 124 ARG H 5.500 . 6.000 4.394 4.243 4.579 . 0 0 "[ . 1 . 2]" 1 2080 1 120 GLN HB2 1 123 VAL MG1 6.460 . 6.960 3.967 3.948 4.001 . 0 0 "[ . 1 . 2]" 1 2081 1 120 GLN HB3 1 123 VAL MG1 6.450 . 6.950 4.558 4.535 4.593 . 0 0 "[ . 1 . 2]" 1 2082 1 120 GLN HE21 1 123 VAL HB 5.090 . 5.590 4.808 4.754 4.862 . 0 0 "[ . 1 . 2]" 1 2083 1 120 GLN HE21 1 123 VAL MG1 5.640 . 6.140 2.399 2.346 2.440 . 0 0 "[ . 1 . 2]" 1 2084 1 120 GLN HE21 1 123 VAL MG2 6.610 . 7.110 4.295 4.227 4.340 . 0 0 "[ . 1 . 2]" 1 2085 1 120 GLN HE21 1 124 ARG HA 5.030 . 5.530 2.353 2.257 2.425 . 0 0 "[ . 1 . 2]" 1 2086 1 120 GLN HE21 1 124 ARG HB3 4.540 . 5.040 2.450 2.292 2.682 . 0 0 "[ . 1 . 2]" 1 2087 1 120 GLN HE22 1 123 VAL HB 5.480 . 5.980 5.112 5.092 5.134 . 0 0 "[ . 1 . 2]" 1 2088 1 120 GLN HE22 1 123 VAL MG1 6.610 . 7.110 2.175 2.144 2.204 . 0 0 "[ . 1 . 2]" 1 2089 1 120 GLN HE22 1 123 VAL MG2 6.610 . 7.110 3.759 3.699 3.823 . 0 0 "[ . 1 . 2]" 1 2090 1 120 GLN HG2 1 121 GLU H 4.720 . 5.220 4.818 4.799 4.849 . 0 0 "[ . 1 . 2]" 1 2091 1 120 GLN HG2 1 121 GLU HA 5.060 . 5.560 5.164 5.129 5.221 . 0 0 "[ . 1 . 2]" 1 2092 1 120 GLN HG2 1 123 VAL MG1 6.510 . 7.010 4.843 4.803 4.895 . 0 0 "[ . 1 . 2]" 1 2093 1 120 GLN HG2 1 124 ARG QD 6.170 . 6.670 5.183 4.772 5.595 . 0 0 "[ . 1 . 2]" 1 2094 1 120 GLN HG2 1 126 TYR QD 6.170 . 6.670 5.491 5.264 5.550 . 0 0 "[ . 1 . 2]" 1 2095 1 120 GLN HG3 1 121 GLU H 4.830 . 5.330 3.861 3.817 3.930 . 0 0 "[ . 1 . 2]" 1 2096 1 120 GLN HG3 1 121 GLU HA 5.040 . 5.540 3.640 3.566 3.759 . 0 0 "[ . 1 . 2]" 1 2097 1 120 GLN HG3 1 126 TYR QD 6.170 . 6.670 5.316 5.164 5.397 . 0 0 "[ . 1 . 2]" 1 2098 1 121 GLU H 1 121 GLU QB 3.340 . 3.840 2.362 2.115 2.504 . 0 0 "[ . 1 . 2]" 1 2099 1 121 GLU H 1 121 GLU QG 4.280 . 4.780 2.556 1.973 3.995 . 0 0 "[ . 1 . 2]" 1 2100 1 121 GLU H 1 122 GLU H 3.580 . 4.080 2.809 2.726 2.864 . 0 0 "[ . 1 . 2]" 1 2101 1 121 GLU H 1 122 GLU HB2 5.500 . 6.000 4.718 4.640 4.794 . 0 0 "[ . 1 . 2]" 1 2102 1 121 GLU H 1 122 GLU QG 6.170 . 6.670 4.453 4.134 5.498 . 0 0 "[ . 1 . 2]" 1 2103 1 121 GLU H 1 123 VAL H 4.900 . 5.400 4.278 4.210 4.323 . 0 0 "[ . 1 . 2]" 1 2104 1 121 GLU H 1 123 VAL MG1 6.610 . 7.110 4.420 4.378 4.464 . 0 0 "[ . 1 . 2]" 1 2105 1 121 GLU HA 1 121 GLU QG 3.740 . 4.240 2.569 2.326 3.339 . 0 0 "[ . 1 . 2]" 1 2106 1 121 GLU HA 1 124 ARG H 4.600 . 5.100 3.898 3.733 4.143 . 0 0 "[ . 1 . 2]" 1 2107 1 121 GLU HA 1 124 ARG HB3 4.650 . 5.150 3.408 2.933 3.909 . 0 0 "[ . 1 . 2]" 1 2108 1 121 GLU HA 1 124 ARG QD 4.330 . 4.830 2.578 2.220 3.915 . 0 0 "[ . 1 . 2]" 1 2109 1 121 GLU HA 1 124 ARG HG2 5.060 . 5.560 3.179 2.695 3.430 . 0 0 "[ . 1 . 2]" 1 2110 1 121 GLU HA 1 124 ARG HG3 4.930 . 5.430 4.654 4.329 4.877 . 0 0 "[ . 1 . 2]" 1 2111 1 121 GLU QB 1 122 GLU H 4.710 . 5.210 3.433 3.142 3.936 . 0 0 "[ . 1 . 2]" 1 2112 1 122 GLU H 1 122 GLU HB2 3.920 . 4.420 2.416 2.323 2.484 . 0 0 "[ . 1 . 2]" 1 2113 1 122 GLU H 1 122 GLU HB3 3.400 . 3.900 3.631 3.582 3.671 . 0 0 "[ . 1 . 2]" 1 2114 1 122 GLU H 1 122 GLU QG 4.890 . 5.390 3.090 2.647 3.809 . 0 0 "[ . 1 . 2]" 1 2115 1 122 GLU H 1 123 VAL H 3.540 . 4.040 2.109 1.990 2.360 . 0 0 "[ . 1 . 2]" 1 2116 1 122 GLU H 1 123 VAL HB 4.980 . 5.480 4.159 4.079 4.304 . 0 0 "[ . 1 . 2]" 1 2117 1 122 GLU H 1 123 VAL MG1 5.810 . 6.310 3.125 3.061 3.326 . 0 0 "[ . 1 . 2]" 1 2118 1 122 GLU H 1 123 VAL MG2 6.610 . 7.110 5.289 5.219 5.445 . 0 0 "[ . 1 . 2]" 1 2119 1 122 GLU HA 1 123 VAL MG1 6.300 . 6.800 4.952 4.925 4.991 . 0 0 "[ . 1 . 2]" 1 2120 1 122 GLU HB2 1 123 VAL H 4.500 . 5.000 3.627 3.563 3.682 . 0 0 "[ . 1 . 2]" 1 2121 1 122 GLU HB2 1 123 VAL MG1 6.610 . 7.110 3.922 3.828 4.006 . 0 0 "[ . 1 . 2]" 1 2122 1 122 GLU HB3 1 123 VAL H 4.430 . 4.930 4.243 4.196 4.289 . 0 0 "[ . 1 . 2]" 1 2123 1 122 GLU HB3 1 123 VAL HA 4.600 . 5.100 4.750 4.700 4.789 . 0 0 "[ . 1 . 2]" 1 2124 1 122 GLU HB3 1 123 VAL MG1 5.760 . 6.260 4.809 4.739 4.855 . 0 0 "[ . 1 . 2]" 1 2125 1 122 GLU QG 1 123 VAL H 5.810 . 6.310 4.595 4.451 4.919 . 0 0 "[ . 1 . 2]" 1 2126 1 122 GLU QG 1 123 VAL MG1 7.410 . 7.910 5.199 5.038 5.536 . 0 0 "[ . 1 . 2]" 1 2127 1 123 VAL H 1 123 VAL HB 3.540 . 4.040 3.158 3.135 3.177 . 0 0 "[ . 1 . 2]" 1 2128 1 123 VAL H 1 123 VAL MG1 4.200 . 4.700 2.373 2.339 2.410 . 0 0 "[ . 1 . 2]" 1 2129 1 123 VAL H 1 124 ARG H 3.870 . 4.370 1.875 1.832 1.918 . 0 0 "[ . 1 . 2]" 1 2130 1 123 VAL H 1 124 ARG HA 5.500 . 6.000 4.184 4.107 4.266 . 0 0 "[ . 1 . 2]" 1 2131 1 123 VAL HA 1 124 ARG HA 5.330 . 5.830 4.764 4.740 4.787 . 0 0 "[ . 1 . 2]" 1 2132 1 123 VAL HA 1 125 SER H 5.500 . 6.000 3.051 3.022 3.083 . 0 0 "[ . 1 . 2]" 1 2133 1 123 VAL HB 1 124 ARG HA 5.500 . 6.000 5.824 5.785 5.849 . 0 0 "[ . 1 . 2]" 1 2134 1 123 VAL MG1 1 124 ARG H 5.920 . 6.420 3.354 3.304 3.429 . 0 0 "[ . 1 . 2]" 1 2135 1 123 VAL MG1 1 124 ARG HA 5.980 . 6.480 3.570 3.499 3.626 . 0 0 "[ . 1 . 2]" 1 2136 1 123 VAL MG2 1 124 ARG H 5.310 . 5.810 4.323 4.309 4.335 . 0 0 "[ . 1 . 2]" 1 2137 1 123 VAL MG2 1 124 ARG HA 5.430 . 5.930 4.426 4.354 4.518 . 0 0 "[ . 1 . 2]" 1 2138 1 123 VAL MG2 1 125 SER H 6.610 . 7.110 3.791 3.753 3.838 . 0 0 "[ . 1 . 2]" 1 2139 1 123 VAL MG2 1 125 SER HB2 6.610 . 7.110 4.380 4.097 5.566 . 0 0 "[ . 1 . 2]" 1 2140 1 123 VAL MG2 1 126 TYR H 6.610 . 7.110 4.402 4.267 4.547 . 0 0 "[ . 1 . 2]" 1 2141 1 124 ARG H 1 124 ARG HB2 4.150 . 4.650 3.591 3.573 3.618 . 0 0 "[ . 1 . 2]" 1 2142 1 124 ARG H 1 124 ARG HB3 4.030 . 4.530 2.628 2.541 2.712 . 0 0 "[ . 1 . 2]" 1 2143 1 124 ARG H 1 124 ARG QD 5.790 . 6.290 3.759 3.621 4.172 . 0 0 "[ . 1 . 2]" 1 2144 1 124 ARG H 1 124 ARG HG2 3.680 . 4.180 1.920 1.855 2.130 . 0 0 "[ . 1 . 2]" 1 2145 1 124 ARG H 1 124 ARG HG3 4.270 . 4.770 3.092 2.946 3.242 . 0 0 "[ . 1 . 2]" 1 2146 1 124 ARG H 1 125 SER H 4.440 . 4.940 2.955 2.906 2.977 . 0 0 "[ . 1 . 2]" 1 2147 1 124 ARG HA 1 124 ARG HG2 4.090 . 4.590 3.741 3.718 3.836 . 0 0 "[ . 1 . 2]" 1 2148 1 124 ARG HA 1 124 ARG HG3 4.100 . 4.600 3.781 3.707 3.807 . 0 0 "[ . 1 . 2]" 1 2149 1 124 ARG HA 1 126 TYR H 4.450 . 4.950 2.896 2.841 2.939 . 0 0 "[ . 1 . 2]" 1 2150 1 124 ARG HA 1 126 TYR QD 6.170 . 6.670 3.090 2.907 3.396 . 0 0 "[ . 1 . 2]" 1 2151 1 124 ARG HB3 1 125 SER H 4.710 . 5.210 4.576 4.526 4.614 . 0 0 "[ . 1 . 2]" 1 2152 1 124 ARG HB3 1 126 TYR H 5.000 . 5.500 5.124 5.056 5.176 . 0 0 "[ . 1 . 2]" 1 2153 1 125 SER H 1 125 SER HB2 3.570 . 4.070 2.588 2.438 3.558 . 0 0 "[ . 1 . 2]" 1 2154 1 125 SER H 1 125 SER HB3 4.010 . 4.510 3.367 2.513 3.573 . 0 0 "[ . 1 . 2]" 1 2155 1 125 SER H 1 126 TYR H 3.600 . 4.100 2.707 2.675 2.727 . 0 0 "[ . 1 . 2]" 1 2156 1 125 SER H 1 126 TYR QB 5.300 . 5.800 4.823 4.789 4.842 . 0 0 "[ . 1 . 2]" 1 2157 1 125 SER HA 1 125 SER HB2 2.840 . 3.340 2.926 2.497 3.034 . 0 0 "[ . 1 . 2]" 1 2158 1 125 SER HA 1 125 SER HB3 2.930 . 3.430 2.504 2.431 3.040 . 0 0 "[ . 1 . 2]" 1 2159 1 125 SER HB2 1 126 TYR H 4.520 . 5.020 3.682 3.487 4.329 . 0 0 "[ . 1 . 2]" 1 2160 1 125 SER HB3 1 126 TYR H 4.710 . 5.210 4.271 3.514 4.434 . 0 0 "[ . 1 . 2]" 1 2161 1 126 TYR H 1 126 TYR QB 3.270 . 3.770 2.408 2.373 2.432 . 0 0 "[ . 1 . 2]" 1 2162 1 126 TYR HA 1 126 TYR QD 4.130 . 4.630 2.103 2.049 2.166 . 0 0 "[ . 1 . 2]" 1 2163 1 126 TYR HA 1 126 TYR QE 5.490 . 5.990 4.398 4.370 4.417 . 0 0 "[ . 1 . 2]" 1 2164 2 1 A H1' 2 1 A H2' 4.000 . 4.500 2.951 2.638 3.041 . 0 0 "[ . 1 . 2]" 1 2165 2 1 A H1' 2 1 A H4' 4.000 . 4.500 3.419 2.116 3.938 . 0 0 "[ . 1 . 2]" 1 2166 2 1 A H1' 2 1 A Q5' 5.610 . 6.110 3.820 3.618 4.046 . 0 0 "[ . 1 . 2]" 1 2167 2 1 A H1' 2 1 A H8 2.500 . 3.000 2.988 2.302 3.706 0.706 11 5 "[ -. * 1+ .* *]" 1 2168 2 1 A H1' 2 2 G Q5' 5.610 . 6.110 3.934 2.488 5.645 . 0 0 "[ . 1 . 2]" 1 2169 2 1 A H2' 2 1 A Q5' 4.490 . 4.990 2.666 2.087 4.238 . 0 0 "[ . 1 . 2]" 1 2170 2 1 A H2' 2 1 A H8 5.000 . 5.500 3.667 1.995 4.647 . 0 0 "[ . 1 . 2]" 1 2171 2 1 A H3' 2 1 A H4' 4.000 . 4.500 2.786 2.680 3.014 . 0 0 "[ . 1 . 2]" 1 2172 2 1 A H3' 2 1 A Q5' 4.490 . 4.990 2.357 2.135 2.878 . 0 0 "[ . 1 . 2]" 1 2173 2 1 A H3' 2 1 A H8 5.000 . 5.500 4.912 2.669 5.816 0.316 19 0 "[ . 1 . 2]" 1 2174 2 1 A H4' 2 1 A Q5' 3.370 . 3.870 2.392 2.143 2.451 . 0 0 "[ . 1 . 2]" 1 2175 2 1 A H4' 2 1 A H8 5.000 . 5.500 4.837 3.701 5.734 0.234 9 0 "[ . 1 . 2]" 1 2176 2 1 A Q5' 2 1 A H8 5.610 . 6.110 3.986 1.935 5.656 . 0 0 "[ . 1 . 2]" 1 2177 2 1 A Q5' 2 2 G H8 6.170 . 6.670 4.920 2.101 5.771 . 0 0 "[ . 1 . 2]" 1 2178 2 1 A H8 2 2 G Q5' 6.170 . 6.670 5.040 3.773 5.709 . 0 0 "[ . 1 . 2]" 1 2179 2 2 G H1 2 4 G H1 5.500 . 6.000 5.855 5.651 6.113 0.113 16 0 "[ . 1 . 2]" 1 2180 2 2 G H1' 2 2 G H2' 4.500 . 5.000 2.991 2.862 3.056 . 0 0 "[ . 1 . 2]" 1 2181 2 2 G H1' 2 2 G H3' 4.500 . 5.000 3.926 3.739 4.045 . 0 0 "[ . 1 . 2]" 1 2182 2 2 G H1' 2 2 G H4' 4.000 . 4.500 3.560 2.572 3.955 . 0 0 "[ . 1 . 2]" 1 2183 2 2 G H1' 2 2 G H8 4.000 . 4.500 3.865 3.604 3.924 . 0 0 "[ . 1 . 2]" 1 2184 2 2 G H1' 2 3 G H4' 5.500 . 6.000 5.556 3.987 6.153 0.153 12 0 "[ . 1 . 2]" 1 2185 2 2 G H1' 2 3 G Q5' 5.610 . 6.110 3.074 1.907 3.527 . 0 0 "[ . 1 . 2]" 1 2186 2 2 G H1' 2 3 G H8 5.500 . 6.000 4.285 2.562 5.517 . 0 0 "[ . 1 . 2]" 1 2187 2 2 G H2' 2 2 G H8 4.000 . 4.500 2.520 2.014 4.016 . 0 0 "[ . 1 . 2]" 1 2188 2 2 G H2' 2 3 G H8 4.000 . 4.500 4.005 3.601 4.472 . 0 0 "[ . 1 . 2]" 1 2189 2 2 G H3' 2 2 G H4' 4.000 . 4.500 2.725 2.654 2.936 . 0 0 "[ . 1 . 2]" 1 2190 2 2 G H3' 2 2 G Q5' 4.490 . 4.990 2.129 1.900 2.817 . 0 0 "[ . 1 . 2]" 1 2191 2 2 G H3' 2 2 G H8 4.000 . 4.500 4.212 4.033 4.691 0.191 9 0 "[ . 1 . 2]" 1 2192 2 2 G H4' 2 2 G Q5' 3.370 . 3.870 2.472 2.168 2.561 . 0 0 "[ . 1 . 2]" 1 2193 2 2 G H4' 2 2 G H8 5.000 . 5.500 4.575 3.806 5.222 . 0 0 "[ . 1 . 2]" 1 2194 2 2 G Q5' 2 2 G H8 5.610 . 6.110 2.404 1.823 5.047 . 0 0 "[ . 1 . 2]" 1 2195 2 2 G Q5' 2 3 G H8 6.170 . 6.670 5.763 5.592 6.428 . 0 0 "[ . 1 . 2]" 1 2196 2 3 G H1' 2 3 G H2' 4.000 . 4.500 2.895 2.794 3.001 . 0 0 "[ . 1 . 2]" 1 2197 2 3 G H1' 2 3 G H4' 4.000 . 4.500 3.332 2.683 3.923 . 0 0 "[ . 1 . 2]" 1 2198 2 3 G H1' 2 3 G Q5' 5.610 . 6.110 3.928 3.667 4.164 . 0 0 "[ . 1 . 2]" 1 2199 2 3 G H1' 2 3 G H8 4.000 . 4.500 3.862 3.770 3.937 . 0 0 "[ . 1 . 2]" 1 2200 2 3 G H1' 2 5 A H8 5.500 . 6.000 5.633 5.326 5.864 . 0 0 "[ . 1 . 2]" 1 2201 2 3 G H2' 2 3 G H8 3.000 . 3.500 2.237 1.979 2.496 . 0 0 "[ . 1 . 2]" 1 2202 2 3 G H4' 2 3 G Q5' 4.490 . 4.990 2.242 2.117 2.467 . 0 0 "[ . 1 . 2]" 1 2203 2 3 G H4' 2 3 G H8 5.000 . 5.500 4.764 4.461 5.210 . 0 0 "[ . 1 . 2]" 1 2204 2 3 G H4' 2 4 G H1' 5.000 . 5.500 3.910 3.630 4.217 . 0 0 "[ . 1 . 2]" 1 2205 2 3 G H4' 2 4 G H2' 4.000 . 4.500 2.204 1.854 2.684 . 0 0 "[ . 1 . 2]" 1 2206 2 3 G H4' 2 4 G H8 5.000 . 5.500 4.441 4.044 4.931 . 0 0 "[ . 1 . 2]" 1 2207 2 3 G Q5' 2 3 G H8 5.610 . 6.110 3.398 1.886 4.967 . 0 0 "[ . 1 . 2]" 1 2208 2 3 G Q5' 2 4 G H1' 6.170 . 6.670 5.018 4.417 5.587 . 0 0 "[ . 1 . 2]" 1 2209 2 3 G Q5' 2 4 G H8 5.610 . 6.110 5.337 5.085 5.685 . 0 0 "[ . 1 . 2]" 1 2210 2 3 G H8 2 4 G H2' 5.500 . 6.000 5.714 5.519 6.543 0.543 2 1 "[ + . 1 . 2]" 1 2211 2 4 G H1' 2 4 G H2' 4.000 . 4.500 3.020 3.001 3.031 . 0 0 "[ . 1 . 2]" 1 2212 2 4 G H1' 2 4 G H3' 5.000 . 5.500 3.798 3.671 3.864 . 0 0 "[ . 1 . 2]" 1 2213 2 4 G H1' 2 4 G H4' 4.000 . 4.500 2.593 2.358 3.113 . 0 0 "[ . 1 . 2]" 1 2214 2 4 G H1' 2 4 G H8 2.500 . 3.000 2.858 2.765 3.119 0.119 2 0 "[ . 1 . 2]" 1 2215 2 4 G H1' 2 5 A H1' 5.000 . 5.500 5.065 4.403 5.449 . 0 0 "[ . 1 . 2]" 1 2216 2 4 G H2' 2 4 G H3' 4.000 . 4.500 2.312 2.276 2.453 . 0 0 "[ . 1 . 2]" 1 2217 2 4 G H2' 2 4 G H4' 4.000 . 4.500 3.777 3.727 3.809 . 0 0 "[ . 1 . 2]" 1 2218 2 4 G H2' 2 4 G Q5' 5.610 . 6.110 4.060 3.372 4.226 . 0 0 "[ . 1 . 2]" 1 2219 2 4 G H2' 2 4 G H8 5.000 . 5.500 3.135 2.673 3.442 . 0 0 "[ . 1 . 2]" 1 2220 2 4 G H3' 2 4 G H4' 4.000 . 4.500 2.923 2.766 2.987 . 0 0 "[ . 1 . 2]" 1 2221 2 4 G H3' 2 4 G Q5' 6.170 . 6.670 2.720 2.570 3.008 . 0 0 "[ . 1 . 2]" 1 2222 2 4 G H3' 2 5 A H4' 5.500 . 6.000 5.443 3.942 5.798 . 0 0 "[ . 1 . 2]" 1 2223 2 4 G H3' 2 5 A Q5' 6.170 . 6.670 4.370 2.616 4.784 . 0 0 "[ . 1 . 2]" 1 2224 2 4 G H4' 2 4 G H8 5.000 . 5.500 5.222 5.020 5.585 0.085 2 0 "[ . 1 . 2]" 1 2225 2 4 G H4' 2 5 A H8 5.000 . 5.500 5.193 5.050 5.455 . 0 0 "[ . 1 . 2]" 1 2226 2 4 G H8 2 5 A H2 5.000 . 5.500 5.089 4.424 5.260 . 0 0 "[ . 1 . 2]" 1 2227 2 4 G H8 2 5 A H8 5.000 . 5.500 5.189 5.017 5.314 . 0 0 "[ . 1 . 2]" 1 2228 2 4 G H8 2 6 U H1' 5.000 . 5.500 5.274 4.414 5.818 0.318 3 0 "[ . 1 . 2]" 1 2229 2 4 G H8 2 6 U H5 5.500 . 6.000 4.101 2.796 5.864 . 0 0 "[ . 1 . 2]" 1 2230 2 5 A H1' 2 5 A H2 5.500 . 6.000 4.515 4.458 4.581 . 0 0 "[ . 1 . 2]" 1 2231 2 5 A H1' 2 5 A H2' 4.000 . 4.500 3.021 2.975 3.068 . 0 0 "[ . 1 . 2]" 1 2232 2 5 A H1' 2 5 A H4' 4.000 . 4.500 3.534 2.631 3.762 . 0 0 "[ . 1 . 2]" 1 2233 2 5 A H1' 2 5 A Q5' 5.610 . 6.110 3.898 3.819 4.039 . 0 0 "[ . 1 . 2]" 1 2234 2 5 A H1' 2 5 A H8 4.000 . 4.500 3.801 3.736 3.845 . 0 0 "[ . 1 . 2]" 1 2235 2 5 A H1' 2 6 U H5 5.000 . 5.500 2.800 1.750 3.734 0.050 9 0 "[ . 1 . 2]" 1 2236 2 5 A H1' 2 6 U H6 5.000 . 5.500 1.970 1.825 2.154 . 0 0 "[ . 1 . 2]" 1 2237 2 5 A H2 2 6 U H1' 5.500 . 6.000 5.649 5.131 5.829 . 0 0 "[ . 1 . 2]" 1 2238 2 5 A H2 2 6 U H6 5.000 . 5.500 4.576 3.735 5.046 . 0 0 "[ . 1 . 2]" 1 2239 2 5 A H2' 2 5 A Q5' 5.050 . 5.550 2.209 1.934 3.083 . 0 0 "[ . 1 . 2]" 1 2240 2 5 A H2' 2 5 A H8 5.000 . 5.500 2.917 2.435 3.181 . 0 0 "[ . 1 . 2]" 1 2241 2 5 A H3' 2 5 A Q5' 5.610 . 6.110 2.165 2.090 2.309 . 0 0 "[ . 1 . 2]" 1 2242 2 5 A H3' 2 5 A H8 5.000 . 5.500 4.654 4.445 4.813 . 0 0 "[ . 1 . 2]" 1 2243 2 5 A H4' 2 5 A Q5' 4.490 . 4.990 2.417 2.288 2.472 . 0 0 "[ . 1 . 2]" 1 2244 2 5 A H4' 2 5 A H8 4.000 . 4.500 4.278 4.004 4.731 0.231 2 0 "[ . 1 . 2]" 1 2245 2 5 A H4' 2 6 U H5 5.000 . 5.500 3.790 2.950 4.977 . 0 0 "[ . 1 . 2]" 1 2246 2 5 A H4' 2 6 U H6 5.000 . 5.500 4.216 2.528 5.181 . 0 0 "[ . 1 . 2]" 1 2247 2 5 A Q5' 2 5 A H8 5.610 . 6.110 2.309 1.941 3.596 . 0 0 "[ . 1 . 2]" 1 2248 2 5 A Q5' 2 6 U H5 5.610 . 6.110 4.620 4.137 5.168 . 0 0 "[ . 1 . 2]" 1 2249 2 5 A H8 2 6 U H5 4.500 . 5.000 4.484 3.933 5.232 0.232 9 0 "[ . 1 . 2]" 1 2250 2 5 A H8 2 6 U H6 4.500 . 5.000 4.963 4.708 5.456 0.456 2 0 "[ . 1 . 2]" 1 2251 2 6 U H1' 2 6 U H2' 3.500 . 4.000 2.632 2.592 2.677 . 0 0 "[ . 1 . 2]" 1 2252 2 6 U H1' 2 6 U H3' 4.000 . 4.500 3.762 3.637 3.849 . 0 0 "[ . 1 . 2]" 1 2253 2 6 U H1' 2 6 U H4' 4.000 . 4.500 3.807 3.532 3.927 . 0 0 "[ . 1 . 2]" 1 2254 2 6 U H1' 2 6 U H6 4.000 . 4.500 3.258 2.816 3.407 . 0 0 "[ . 1 . 2]" 1 2255 2 6 U H2' 2 6 U H5 5.000 . 5.500 4.803 4.297 6.024 0.524 4 2 "[ +. 1 - . 2]" 1 2256 2 6 U H2' 2 6 U H6 3.500 . 4.000 2.699 1.924 4.506 0.506 4 2 "[ +. 1 - . 2]" 1 2257 2 6 U H3' 2 6 U H5 5.000 . 5.500 4.450 4.058 5.189 . 0 0 "[ . 1 . 2]" 1 2258 2 6 U H3' 2 6 U Q5' 5.610 . 6.110 2.606 2.276 2.972 . 0 0 "[ . 1 . 2]" 1 2259 2 6 U H3' 2 6 U H6 3.500 . 4.000 2.844 2.314 3.934 . 0 0 "[ . 1 . 2]" 1 2260 2 6 U H4' 2 6 U H6 5.000 . 5.500 4.640 3.945 4.987 . 0 0 "[ . 1 . 2]" 1 2261 2 6 U H5 2 6 U Q5' 6.170 . 6.670 4.577 4.006 5.743 . 0 0 "[ . 1 . 2]" 1 2262 2 6 U H5 2 6 U H6 2.500 . 3.000 2.390 2.370 2.408 . 0 0 "[ . 1 . 2]" 1 2263 2 6 U Q5' 2 6 U H6 5.610 . 6.110 3.527 2.562 4.716 . 0 0 "[ . 1 . 2]" 1 stop_ save_
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