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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
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397131 |
1sr3 ![]() ![]() |
6723 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1sr3 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 2094 _Distance_constraint_stats_list.Viol_count 4191 _Distance_constraint_stats_list.Viol_total 6228.907 _Distance_constraint_stats_list.Viol_max 0.924 _Distance_constraint_stats_list.Viol_rms 0.0302 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0074 _Distance_constraint_stats_list.Viol_average_violations_only 0.0743 _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 4 ASN 0.675 0.140 6 0 "[ . 1 . 2]" 1 5 ILE 7.455 0.541 18 3 "[ - . *1 . + 2]" 1 6 ASP 5.814 0.541 18 3 "[ - . *1 . + 2]" 1 7 LEU 6.387 0.611 16 2 "[ . 1 .+ - 2]" 1 8 PHE 8.190 0.261 5 0 "[ . 1 . 2]" 1 9 TYR 11.058 0.126 6 0 "[ . 1 . 2]" 1 10 THR 3.938 0.103 1 0 "[ . 1 . 2]" 1 11 PRO 1.321 0.099 3 0 "[ . 1 . 2]" 1 12 GLY 3.393 0.176 20 0 "[ . 1 . 2]" 1 13 GLU 3.631 0.130 2 0 "[ . 1 . 2]" 1 14 ILE 12.343 0.338 19 0 "[ . 1 . 2]" 1 15 LEU 5.864 0.107 16 0 "[ . 1 . 2]" 1 16 TYR 11.553 0.176 20 0 "[ . 1 . 2]" 1 17 GLY 1.542 0.471 4 0 "[ . 1 . 2]" 1 18 LYS 6.479 0.531 15 1 "[ . 1 + 2]" 1 19 ARG 4.417 0.531 15 1 "[ . 1 + 2]" 1 20 GLU 1.829 0.093 8 0 "[ . 1 . 2]" 1 21 THR 1.442 0.108 3 0 "[ . 1 . 2]" 1 22 GLN 4.371 0.498 6 0 "[ . 1 . 2]" 1 23 GLN 10.921 0.467 8 0 "[ . 1 . 2]" 1 24 MET 6.164 0.471 4 0 "[ . 1 . 2]" 1 25 PRO 2.868 0.148 4 0 "[ . 1 . 2]" 1 26 GLU 4.959 0.584 5 1 "[ + 1 . 2]" 1 27 VAL 4.361 0.548 5 1 "[ + 1 . 2]" 1 28 GLY 0.897 0.080 16 0 "[ . 1 . 2]" 1 29 GLN 7.874 0.611 16 4 "[ * 1 - .+ * 2]" 1 30 ARG 4.076 0.535 12 1 "[ . 1 + . 2]" 1 31 LEU 7.889 0.106 11 0 "[ . 1 . 2]" 1 32 ARG 2.144 0.085 7 0 "[ . 1 . 2]" 1 33 VAL 4.412 0.117 9 0 "[ . 1 . 2]" 1 34 GLY 1.573 0.086 19 0 "[ . 1 . 2]" 1 35 GLY 5.224 0.100 1 0 "[ . 1 . 2]" 1 36 MET 4.453 0.103 11 0 "[ . 1 . 2]" 1 37 VAL 5.512 0.117 14 0 "[ . 1 . 2]" 1 38 MET 6.284 0.101 17 0 "[ . 1 . 2]" 1 39 PRO 2.217 0.257 17 0 "[ . 1 . 2]" 1 40 GLY 2.098 0.514 3 1 "[ + . 1 . 2]" 1 41 SER 1.026 0.081 8 0 "[ . 1 . 2]" 1 42 VAL 2.795 0.301 14 0 "[ . 1 . 2]" 1 43 GLN 5.096 0.263 19 0 "[ . 1 . 2]" 1 44 ARG 5.672 0.706 9 1 "[ . +1 . 2]" 1 45 ASP 5.024 0.270 18 0 "[ . 1 . 2]" 1 46 PRO 1.531 0.267 18 0 "[ . 1 . 2]" 1 47 ASN 3.527 0.393 6 0 "[ . 1 . 2]" 1 48 SER 3.151 0.270 18 0 "[ . 1 . 2]" 1 49 LEU 5.144 0.494 13 0 "[ . 1 . 2]" 1 50 LYS 3.510 0.812 3 1 "[ + . 1 . 2]" 1 51 VAL 6.077 0.106 3 0 "[ . 1 . 2]" 1 52 THR 10.047 0.761 16 5 "[ . -** *+ 2]" 1 53 PHE 12.156 0.129 3 0 "[ . 1 . 2]" 1 54 THR 4.635 0.103 13 0 "[ . 1 . 2]" 1 55 ILE 9.266 0.124 14 0 "[ . 1 . 2]" 1 56 TYR 8.809 0.110 16 0 "[ . 1 . 2]" 1 57 ASP 5.602 0.247 14 0 "[ . 1 . 2]" 1 58 ALA 8.041 0.520 1 2 "[+ . 1 - 2]" 1 59 GLU 14.490 0.520 1 2 "[+ . 1 - 2]" 1 60 GLY 4.600 0.156 14 0 "[ . 1 . 2]" 1 61 SER 4.306 0.103 18 0 "[ . 1 . 2]" 1 62 VAL 2.990 0.110 16 0 "[ . 1 . 2]" 1 63 ASP 4.995 0.481 20 0 "[ . 1 . 2]" 1 64 VAL 5.382 0.129 3 0 "[ . 1 . 2]" 1 65 SER 9.236 0.812 3 5 "[ + . - * ** 2]" 1 66 TYR 14.953 0.137 20 0 "[ . 1 . 2]" 1 67 GLU 1.088 0.088 10 0 "[ . 1 . 2]" 1 68 GLY 3.951 0.494 13 0 "[ . 1 . 2]" 1 69 ILE 6.341 0.260 17 0 "[ . 1 . 2]" 1 70 LEU 3.053 0.302 11 0 "[ . 1 . 2]" 1 71 PRO 6.229 0.110 3 0 "[ . 1 . 2]" 1 72 ASP 0.563 0.085 17 0 "[ . 1 . 2]" 1 73 LEU 2.188 0.111 7 0 "[ . 1 . 2]" 1 74 PHE 11.189 0.924 14 1 "[ . 1 +. 2]" 1 75 ARG 8.625 0.483 20 0 "[ . 1 . 2]" 1 76 GLU 8.866 0.924 14 2 "[ - . 1 +. 2]" 1 77 GLY 4.093 0.242 15 0 "[ . 1 . 2]" 1 78 GLN 6.931 0.273 5 0 "[ . 1 . 2]" 1 79 GLY 1.334 0.090 10 0 "[ . 1 . 2]" 1 80 VAL 4.512 0.120 19 0 "[ . 1 . 2]" 1 81 VAL 2.669 0.106 15 0 "[ . 1 . 2]" 1 82 VAL 4.165 0.117 9 0 "[ . 1 . 2]" 1 83 GLN 5.963 0.097 7 0 "[ . 1 . 2]" 1 84 GLY 0.747 0.096 20 0 "[ . 1 . 2]" 1 85 GLU 9.489 0.470 16 0 "[ . 1 . 2]" 1 86 LEU 10.271 0.108 12 0 "[ . 1 . 2]" 1 87 GLU 2.762 0.090 1 0 "[ . 1 . 2]" 1 88 LYS 2.501 0.105 17 0 "[ . 1 . 2]" 1 89 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 90 ASN 5.694 0.338 19 0 "[ . 1 . 2]" 1 91 HIS 13.515 0.481 20 0 "[ . 1 . 2]" 1 92 ILE 12.855 0.470 16 0 "[ . 1 . 2]" 1 93 LEU 9.006 0.124 15 0 "[ . 1 . 2]" 1 94 ALA 5.014 0.144 4 0 "[ . 1 . 2]" 1 95 LYS 4.641 0.113 2 0 "[ . 1 . 2]" 1 96 GLU 7.164 0.098 20 0 "[ . 1 . 2]" 1 97 VAL 3.458 0.091 8 0 "[ . 1 . 2]" 1 98 LEU 3.503 0.120 19 0 "[ . 1 . 2]" 1 99 ALA 6.202 0.139 3 0 "[ . 1 . 2]" 1 100 LYS 2.304 0.097 18 0 "[ . 1 . 2]" 1 101 HIS 6.725 0.113 19 0 "[ . 1 . 2]" 1 102 ASP 1.554 0.113 19 0 "[ . 1 . 2]" 1 103 GLU 1.735 0.106 15 0 "[ . 1 . 2]" 1 104 ASN 0.000 0.000 . 0 "[ . 1 . 2]" 1 105 TYR 1.156 0.088 4 0 "[ . 1 . 2]" 1 106 THR 3.165 0.108 20 0 "[ . 1 . 2]" 1 107 PRO 1.053 0.084 10 0 "[ . 1 . 2]" 1 108 PRO 3.910 0.089 1 0 "[ . 1 . 2]" 1 109 GLU 2.683 0.082 6 0 "[ . 1 . 2]" 1 110 VAL 4.494 0.108 18 0 "[ . 1 . 2]" 1 111 GLU 2.779 0.108 20 0 "[ . 1 . 2]" 1 112 LYS 0.747 0.090 18 0 "[ . 1 . 2]" 1 113 ALA 0.876 0.090 18 0 "[ . 1 . 2]" 1 114 MET 0.620 0.110 18 0 "[ . 1 . 2]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 4 ASN QB 1 5 ILE H . . 4.880 2.781 1.800 3.908 . 0 0 "[ . 1 . 2]" 1 2 1 4 ASN QB 1 5 ILE MG . . 5.500 5.126 2.913 5.640 0.140 6 0 "[ . 1 . 2]" 1 3 1 4 ASN HD21 1 5 ILE H . . 5.490 3.830 2.249 5.561 0.071 6 0 "[ . 1 . 2]" 1 4 1 5 ILE H 1 5 ILE HB . . 3.570 2.791 2.190 3.650 0.080 19 0 "[ . 1 . 2]" 1 5 1 5 ILE H 1 5 ILE HG12 . . 3.820 3.369 2.149 4.178 0.358 1 0 "[ . 1 . 2]" 1 6 1 5 ILE H 1 5 ILE HG13 . . 4.170 2.941 2.087 4.222 0.052 7 0 "[ . 1 . 2]" 1 7 1 5 ILE H 1 5 ILE MG . . 3.900 3.788 2.352 4.010 0.110 3 0 "[ . 1 . 2]" 1 8 1 5 ILE H 1 6 ASP H . . 4.870 4.409 3.872 4.608 . 0 0 "[ . 1 . 2]" 1 9 1 5 ILE HA 1 5 ILE MD . . 4.680 3.562 2.246 4.196 . 0 0 "[ . 1 . 2]" 1 10 1 5 ILE HA 1 5 ILE HG12 . . 4.260 2.980 2.600 3.929 . 0 0 "[ . 1 . 2]" 1 11 1 5 ILE HA 1 5 ILE MG . . 3.300 2.391 2.258 2.661 . 0 0 "[ . 1 . 2]" 1 12 1 5 ILE HA 1 6 ASP H . . 3.020 2.491 2.140 3.101 0.081 11 0 "[ . 1 . 2]" 1 13 1 5 ILE HB 1 6 ASP H . . 3.800 3.389 1.863 3.883 0.083 18 0 "[ . 1 . 2]" 1 14 1 5 ILE MD 1 6 ASP H . . 5.500 4.562 3.002 5.114 . 0 0 "[ . 1 . 2]" 1 15 1 5 ILE HG12 1 6 ASP H . . 5.110 4.428 3.758 4.971 . 0 0 "[ . 1 . 2]" 1 16 1 5 ILE HG13 1 6 ASP H . . 4.620 4.700 2.657 5.161 0.541 18 3 "[ - . *1 . + 2]" 1 17 1 5 ILE MG 1 6 ASP H . . 3.530 2.072 1.622 3.551 0.021 4 0 "[ . 1 . 2]" 1 18 1 5 ILE MG 1 6 ASP HB2 . . 4.930 3.583 2.668 5.042 0.112 4 0 "[ . 1 . 2]" 1 19 1 5 ILE MG 1 6 ASP HB3 . . 5.270 4.078 2.892 5.313 0.043 4 0 "[ . 1 . 2]" 1 20 1 6 ASP H 1 6 ASP HB2 . . 3.610 2.765 2.041 3.663 0.053 13 0 "[ . 1 . 2]" 1 21 1 6 ASP H 1 6 ASP HB3 . . 3.910 3.236 2.357 3.993 0.083 13 0 "[ . 1 . 2]" 1 22 1 6 ASP HA 1 7 LEU H . . 3.260 2.419 2.002 2.988 . 0 0 "[ . 1 . 2]" 1 23 1 6 ASP HB2 1 7 LEU H . . 4.200 3.836 2.454 4.294 0.094 6 0 "[ . 1 . 2]" 1 24 1 6 ASP HB3 1 7 LEU H . . 4.040 3.176 1.909 4.269 0.229 18 0 "[ . 1 . 2]" 1 25 1 7 LEU H 1 7 LEU HB2 . . 3.580 3.440 2.085 3.649 0.069 1 0 "[ . 1 . 2]" 1 26 1 7 LEU H 1 7 LEU HB3 . . 3.250 2.880 2.244 3.467 0.217 18 0 "[ . 1 . 2]" 1 27 1 7 LEU H 1 7 LEU QD . . 3.850 2.633 1.673 3.496 . 0 0 "[ . 1 . 2]" 1 28 1 7 LEU H 1 7 LEU HG . . 3.500 2.139 1.757 3.585 0.085 19 0 "[ . 1 . 2]" 1 29 1 7 LEU H 1 8 PHE H . . 4.770 4.350 4.188 4.604 . 0 0 "[ . 1 . 2]" 1 30 1 7 LEU H 1 9 TYR QE . . 5.450 5.514 4.848 5.565 0.115 13 0 "[ . 1 . 2]" 1 31 1 7 LEU HA 1 7 LEU QD . . 3.640 3.252 2.077 3.432 . 0 0 "[ . 1 . 2]" 1 32 1 7 LEU HA 1 8 PHE H . . 2.970 2.550 2.096 2.850 . 0 0 "[ . 1 . 2]" 1 33 1 7 LEU HA 1 8 PHE HB2 . . 5.500 4.095 3.748 4.808 . 0 0 "[ . 1 . 2]" 1 34 1 7 LEU HA 1 8 PHE HB3 . . 5.500 4.500 4.085 4.868 . 0 0 "[ . 1 . 2]" 1 35 1 7 LEU HB2 1 8 PHE H . . 3.820 2.236 1.896 4.081 0.261 5 0 "[ . 1 . 2]" 1 36 1 7 LEU HB2 1 9 TYR QE . . 5.500 3.459 3.001 5.021 . 0 0 "[ . 1 . 2]" 1 37 1 7 LEU HB2 1 29 GLN QE . . 5.290 5.066 3.570 5.901 0.611 16 2 "[ . 1 .+ - 2]" 1 38 1 7 LEU HB3 1 8 PHE H . . 4.030 3.402 2.319 3.728 . 0 0 "[ . 1 . 2]" 1 39 1 7 LEU HB3 1 9 TYR QE . . 5.240 4.337 2.303 5.124 . 0 0 "[ . 1 . 2]" 1 40 1 7 LEU QD 1 8 PHE H . . 3.830 2.603 2.090 2.968 . 0 0 "[ . 1 . 2]" 1 41 1 7 LEU QD 1 9 TYR QD . . 4.220 2.736 2.262 3.861 . 0 0 "[ . 1 . 2]" 1 42 1 7 LEU QD 1 9 TYR QE . . 3.910 1.939 1.792 2.538 . 0 0 "[ . 1 . 2]" 1 43 1 7 LEU QD 1 18 LYS QE . . 4.850 3.682 1.875 4.323 . 0 0 "[ . 1 . 2]" 1 44 1 7 LEU QD 1 29 GLN QE . . 3.510 2.229 1.828 3.126 . 0 0 "[ . 1 . 2]" 1 45 1 7 LEU QD 1 29 GLN HG3 . . 5.200 4.338 3.767 4.906 . 0 0 "[ . 1 . 2]" 1 46 1 7 LEU HG 1 8 PHE H . . 4.290 4.276 3.067 4.385 0.095 6 0 "[ . 1 . 2]" 1 47 1 7 LEU HG 1 9 TYR QE . . 5.190 4.079 2.298 4.944 . 0 0 "[ . 1 . 2]" 1 48 1 8 PHE H 1 8 PHE HB2 . . 3.420 3.357 3.130 3.480 0.060 8 0 "[ . 1 . 2]" 1 49 1 8 PHE H 1 8 PHE HB3 . . 3.550 3.176 2.856 3.644 0.094 18 0 "[ . 1 . 2]" 1 50 1 8 PHE H 1 9 TYR H . . 4.780 4.196 3.934 4.316 . 0 0 "[ . 1 . 2]" 1 51 1 8 PHE H 1 9 TYR QD . . 4.110 3.887 2.710 4.206 0.096 9 0 "[ . 1 . 2]" 1 52 1 8 PHE H 1 18 LYS QE . . 4.730 3.353 2.719 3.884 . 0 0 "[ . 1 . 2]" 1 53 1 8 PHE HA 1 9 TYR H . . 3.150 2.335 2.173 2.477 . 0 0 "[ . 1 . 2]" 1 54 1 8 PHE HA 1 9 TYR QD . . 3.490 3.368 2.929 3.570 0.080 1 0 "[ . 1 . 2]" 1 55 1 8 PHE HA 1 32 ARG H . . 3.910 3.123 2.786 3.539 . 0 0 "[ . 1 . 2]" 1 56 1 8 PHE HA 1 32 ARG QB . . 4.030 2.689 2.150 3.919 . 0 0 "[ . 1 . 2]" 1 57 1 8 PHE HA 1 32 ARG QD . . 4.520 4.292 3.477 4.595 0.075 7 0 "[ . 1 . 2]" 1 58 1 8 PHE HA 1 32 ARG QG . . 5.170 3.707 2.190 4.546 . 0 0 "[ . 1 . 2]" 1 59 1 8 PHE HA 1 33 VAL H . . 5.190 5.061 4.612 5.264 0.074 2 0 "[ . 1 . 2]" 1 60 1 8 PHE HA 1 33 VAL HA . . 5.500 4.282 3.447 4.730 . 0 0 "[ . 1 . 2]" 1 61 1 8 PHE HA 1 33 VAL QG . . 5.410 4.795 4.480 5.086 . 0 0 "[ . 1 . 2]" 1 62 1 8 PHE HB2 1 9 TYR H . . 5.500 4.255 4.097 4.409 . 0 0 "[ . 1 . 2]" 1 63 1 8 PHE HB2 1 32 ARG QB . . 5.250 3.823 3.216 5.081 . 0 0 "[ . 1 . 2]" 1 64 1 8 PHE HB3 1 9 TYR H . . 4.460 3.849 3.518 4.225 . 0 0 "[ . 1 . 2]" 1 65 1 8 PHE QD 1 10 THR HA . . 4.970 4.967 4.758 5.042 0.072 10 0 "[ . 1 . 2]" 1 66 1 8 PHE QD 1 10 THR MG . . 3.680 3.040 2.647 3.343 . 0 0 "[ . 1 . 2]" 1 67 1 8 PHE QD 1 32 ARG HA . . 5.500 5.151 4.828 5.534 0.034 18 0 "[ . 1 . 2]" 1 68 1 8 PHE QD 1 32 ARG QB . . 3.620 2.645 2.188 2.976 . 0 0 "[ . 1 . 2]" 1 69 1 8 PHE QD 1 32 ARG QD . . 3.970 2.466 2.054 3.558 . 0 0 "[ . 1 . 2]" 1 70 1 8 PHE QD 1 32 ARG QG . . 5.090 3.064 2.163 4.088 . 0 0 "[ . 1 . 2]" 1 71 1 8 PHE QD 1 33 VAL H . . 5.500 5.062 4.616 5.411 . 0 0 "[ . 1 . 2]" 1 72 1 8 PHE QD 1 33 VAL HA . . 4.870 4.270 3.590 4.522 . 0 0 "[ . 1 . 2]" 1 73 1 8 PHE QD 1 81 VAL QG . . 4.140 3.633 3.313 3.929 . 0 0 "[ . 1 . 2]" 1 74 1 8 PHE QE 1 9 TYR H . . 5.150 4.206 3.972 4.714 . 0 0 "[ . 1 . 2]" 1 75 1 8 PHE QE 1 10 THR H . . 5.450 5.511 5.396 5.553 0.103 1 0 "[ . 1 . 2]" 1 76 1 8 PHE QE 1 10 THR HA . . 4.960 4.192 3.945 4.381 . 0 0 "[ . 1 . 2]" 1 77 1 8 PHE QE 1 10 THR HB . . 5.380 4.871 4.584 5.292 . 0 0 "[ . 1 . 2]" 1 78 1 8 PHE QE 1 10 THR MG . . 3.510 2.422 2.058 2.991 . 0 0 "[ . 1 . 2]" 1 79 1 8 PHE QE 1 32 ARG QB . . 4.610 3.538 2.511 4.060 . 0 0 "[ . 1 . 2]" 1 80 1 8 PHE QE 1 32 ARG QD . . 4.920 3.336 2.470 4.974 0.054 20 0 "[ . 1 . 2]" 1 81 1 8 PHE QE 1 32 ARG QG . . 4.890 3.600 2.207 4.778 . 0 0 "[ . 1 . 2]" 1 82 1 8 PHE QE 1 33 VAL H . . 5.500 4.663 3.886 5.262 . 0 0 "[ . 1 . 2]" 1 83 1 8 PHE QE 1 33 VAL HA . . 4.640 4.109 3.483 4.520 . 0 0 "[ . 1 . 2]" 1 84 1 8 PHE QE 1 33 VAL QG . . 4.780 4.405 3.661 4.628 . 0 0 "[ . 1 . 2]" 1 85 1 8 PHE QE 1 34 GLY H . . 4.230 2.847 2.367 3.158 . 0 0 "[ . 1 . 2]" 1 86 1 8 PHE QE 1 34 GLY HA2 . . 4.200 4.081 3.730 4.286 0.086 19 0 "[ . 1 . 2]" 1 87 1 8 PHE QE 1 34 GLY HA3 . . 3.890 2.857 2.427 3.201 . 0 0 "[ . 1 . 2]" 1 88 1 8 PHE QE 1 35 GLY H . . 5.370 5.417 5.139 5.470 0.100 1 0 "[ . 1 . 2]" 1 89 1 8 PHE QE 1 81 VAL HA . . 4.290 4.216 3.886 4.378 0.088 15 0 "[ . 1 . 2]" 1 90 1 8 PHE QE 1 81 VAL HB . . 4.880 4.447 2.592 4.947 0.067 17 0 "[ . 1 . 2]" 1 91 1 8 PHE QE 1 81 VAL QG . . 3.510 2.086 1.928 2.222 . 0 0 "[ . 1 . 2]" 1 92 1 8 PHE QE 1 82 VAL H . . 5.500 5.037 4.534 5.533 0.033 18 0 "[ . 1 . 2]" 1 93 1 8 PHE HZ 1 34 GLY H . . 4.460 3.458 2.500 3.918 . 0 0 "[ . 1 . 2]" 1 94 1 8 PHE HZ 1 34 GLY HA2 . . 4.260 3.294 2.712 3.741 . 0 0 "[ . 1 . 2]" 1 95 1 8 PHE HZ 1 34 GLY HA3 . . 3.920 2.128 2.019 2.350 . 0 0 "[ . 1 . 2]" 1 96 1 8 PHE HZ 1 35 GLY H . . 4.970 4.944 4.661 5.031 0.061 17 0 "[ . 1 . 2]" 1 97 1 8 PHE HZ 1 81 VAL HA . . 4.760 3.890 3.173 4.172 . 0 0 "[ . 1 . 2]" 1 98 1 8 PHE HZ 1 81 VAL QG . . 3.880 2.106 2.004 2.280 . 0 0 "[ . 1 . 2]" 1 99 1 9 TYR H 1 9 TYR HB2 . . 3.830 2.663 2.414 2.793 . 0 0 "[ . 1 . 2]" 1 100 1 9 TYR H 1 9 TYR HB3 . . 3.880 3.774 3.626 3.871 . 0 0 "[ . 1 . 2]" 1 101 1 9 TYR H 1 9 TYR QD . . 3.640 2.952 2.640 3.216 . 0 0 "[ . 1 . 2]" 1 102 1 9 TYR H 1 9 TYR QE . . 5.040 5.045 4.673 5.135 0.095 2 0 "[ . 1 . 2]" 1 103 1 9 TYR H 1 10 THR H . . 4.810 4.403 4.296 4.473 . 0 0 "[ . 1 . 2]" 1 104 1 9 TYR H 1 14 ILE MD . . 5.080 4.518 4.285 4.820 . 0 0 "[ . 1 . 2]" 1 105 1 9 TYR H 1 31 LEU HB2 . . 5.280 4.679 4.070 4.918 . 0 0 "[ . 1 . 2]" 1 106 1 9 TYR H 1 31 LEU QD . . 5.050 4.674 4.218 5.008 . 0 0 "[ . 1 . 2]" 1 107 1 9 TYR H 1 32 ARG H . . 4.560 4.081 3.684 4.342 . 0 0 "[ . 1 . 2]" 1 108 1 9 TYR H 1 32 ARG HA . . 5.500 5.108 4.907 5.311 . 0 0 "[ . 1 . 2]" 1 109 1 9 TYR H 1 33 VAL HA . . 3.730 2.554 1.817 2.906 . 0 0 "[ . 1 . 2]" 1 110 1 9 TYR H 1 33 VAL QG . . 4.020 3.443 2.931 3.648 . 0 0 "[ . 1 . 2]" 1 111 1 9 TYR H 1 34 GLY H . . 4.600 3.950 3.647 4.383 . 0 0 "[ . 1 . 2]" 1 112 1 9 TYR HA 1 10 THR H . . 3.380 2.646 2.424 2.829 . 0 0 "[ . 1 . 2]" 1 113 1 9 TYR HB2 1 10 THR H . . 3.620 3.396 3.027 3.694 0.074 6 0 "[ . 1 . 2]" 1 114 1 9 TYR HB2 1 14 ILE MD . . 4.060 2.279 2.030 2.610 . 0 0 "[ . 1 . 2]" 1 115 1 9 TYR HB2 1 14 ILE HG12 . . 5.500 3.230 2.688 3.898 . 0 0 "[ . 1 . 2]" 1 116 1 9 TYR HB2 1 14 ILE HG13 . . 5.500 3.065 2.589 3.658 . 0 0 "[ . 1 . 2]" 1 117 1 9 TYR HB2 1 31 LEU QD . . 4.460 3.573 3.234 3.723 . 0 0 "[ . 1 . 2]" 1 118 1 9 TYR HB2 1 33 VAL HA . . 4.910 3.259 2.774 3.917 . 0 0 "[ . 1 . 2]" 1 119 1 9 TYR HB2 1 33 VAL QG . . 4.170 2.421 2.210 2.893 . 0 0 "[ . 1 . 2]" 1 120 1 9 TYR HB3 1 10 THR H . . 4.200 2.242 1.974 2.486 . 0 0 "[ . 1 . 2]" 1 121 1 9 TYR HB3 1 14 ILE MD . . 4.240 2.842 2.337 3.281 . 0 0 "[ . 1 . 2]" 1 122 1 9 TYR HB3 1 14 ILE HG13 . . 5.430 2.282 2.126 2.449 . 0 0 "[ . 1 . 2]" 1 123 1 9 TYR HB3 1 31 LEU QD . . 4.820 4.706 4.349 4.775 . 0 0 "[ . 1 . 2]" 1 124 1 9 TYR HB3 1 33 VAL QG . . 4.440 3.363 2.729 3.774 . 0 0 "[ . 1 . 2]" 1 125 1 9 TYR QD 1 10 THR H . . 4.210 3.807 3.412 4.160 . 0 0 "[ . 1 . 2]" 1 126 1 9 TYR QD 1 13 GLU H . . 5.370 5.265 4.852 5.469 0.099 15 0 "[ . 1 . 2]" 1 127 1 9 TYR QD 1 13 GLU QB . . 3.910 2.699 2.071 4.013 0.103 2 0 "[ . 1 . 2]" 1 128 1 9 TYR QD 1 14 ILE H . . 5.430 4.498 3.787 5.360 . 0 0 "[ . 1 . 2]" 1 129 1 9 TYR QD 1 14 ILE HA . . 4.400 3.662 3.180 4.234 . 0 0 "[ . 1 . 2]" 1 130 1 9 TYR QD 1 14 ILE MD . . 3.810 3.368 3.013 3.522 . 0 0 "[ . 1 . 2]" 1 131 1 9 TYR QD 1 14 ILE HG12 . . 5.500 2.913 2.544 3.288 . 0 0 "[ . 1 . 2]" 1 132 1 9 TYR QD 1 14 ILE HG13 . . 4.620 3.745 3.246 4.054 . 0 0 "[ . 1 . 2]" 1 133 1 9 TYR QD 1 18 LYS H . . 5.000 4.834 4.111 5.093 0.093 6 0 "[ . 1 . 2]" 1 134 1 9 TYR QD 1 18 LYS HA . . 4.340 3.728 3.102 4.051 . 0 0 "[ . 1 . 2]" 1 135 1 9 TYR QD 1 18 LYS HB2 . . 4.920 3.667 2.709 4.890 . 0 0 "[ . 1 . 2]" 1 136 1 9 TYR QD 1 18 LYS HD3 . . 4.720 4.115 2.630 4.821 0.101 8 0 "[ . 1 . 2]" 1 137 1 9 TYR QD 1 18 LYS QE . . 5.360 3.636 2.947 4.293 . 0 0 "[ . 1 . 2]" 1 138 1 9 TYR QD 1 19 ARG H . . 5.500 5.337 4.442 5.596 0.096 12 0 "[ . 1 . 2]" 1 139 1 9 TYR QD 1 25 PRO HD2 . . 4.640 4.683 4.565 4.733 0.093 15 0 "[ . 1 . 2]" 1 140 1 9 TYR QD 1 25 PRO HD3 . . 4.180 3.209 2.948 3.644 . 0 0 "[ . 1 . 2]" 1 141 1 9 TYR QD 1 31 LEU HA . . 5.220 4.524 4.240 4.932 . 0 0 "[ . 1 . 2]" 1 142 1 9 TYR QD 1 31 LEU HB2 . . 3.470 2.372 2.090 2.750 . 0 0 "[ . 1 . 2]" 1 143 1 9 TYR QD 1 31 LEU HB3 . . 3.890 3.601 3.171 3.924 0.034 9 0 "[ . 1 . 2]" 1 144 1 9 TYR QD 1 31 LEU QD . . 3.810 3.273 2.710 3.548 . 0 0 "[ . 1 . 2]" 1 145 1 9 TYR QD 1 32 ARG H . . 3.980 3.106 2.770 3.545 . 0 0 "[ . 1 . 2]" 1 146 1 9 TYR QD 1 33 VAL QG . . 3.880 3.681 3.501 3.911 0.031 2 0 "[ . 1 . 2]" 1 147 1 9 TYR QE 1 14 ILE MD . . 4.500 4.575 4.409 4.626 0.126 6 0 "[ . 1 . 2]" 1 148 1 9 TYR QE 1 14 ILE HG12 . . 5.020 4.327 4.106 4.624 . 0 0 "[ . 1 . 2]" 1 149 1 9 TYR QE 1 18 LYS H . . 4.600 4.431 3.773 4.704 0.104 2 0 "[ . 1 . 2]" 1 150 1 9 TYR QE 1 18 LYS HA . . 4.480 4.388 3.964 4.572 0.092 13 0 "[ . 1 . 2]" 1 151 1 9 TYR QE 1 18 LYS HB2 . . 4.430 2.826 2.313 3.859 . 0 0 "[ . 1 . 2]" 1 152 1 9 TYR QE 1 18 LYS HB3 . . 5.500 4.358 3.633 5.380 . 0 0 "[ . 1 . 2]" 1 153 1 9 TYR QE 1 18 LYS HD2 . . 3.450 2.467 2.045 3.521 0.071 3 0 "[ . 1 . 2]" 1 154 1 9 TYR QE 1 18 LYS HD3 . . 4.370 2.923 2.146 3.942 . 0 0 "[ . 1 . 2]" 1 155 1 9 TYR QE 1 18 LYS QE . . 4.280 3.401 2.980 3.879 . 0 0 "[ . 1 . 2]" 1 156 1 9 TYR QE 1 18 LYS QG . . 4.210 3.836 2.770 4.071 . 0 0 "[ . 1 . 2]" 1 157 1 9 TYR QE 1 29 GLN QE . . 4.430 3.114 2.565 3.512 . 0 0 "[ . 1 . 2]" 1 158 1 9 TYR QE 1 31 LEU HA . . 4.180 4.127 3.840 4.262 0.082 16 0 "[ . 1 . 2]" 1 159 1 9 TYR QE 1 31 LEU HB2 . . 3.510 2.808 2.204 3.234 . 0 0 "[ . 1 . 2]" 1 160 1 9 TYR QE 1 31 LEU HB3 . . 3.760 2.699 2.401 3.151 . 0 0 "[ . 1 . 2]" 1 161 1 9 TYR QE 1 31 LEU QD . . 4.170 3.760 3.235 3.948 . 0 0 "[ . 1 . 2]" 1 162 1 9 TYR QE 1 32 ARG H . . 4.490 4.047 3.450 4.560 0.070 16 0 "[ . 1 . 2]" 1 163 1 10 THR H 1 10 THR MG . . 3.470 3.034 2.687 3.474 0.004 9 0 "[ . 1 . 2]" 1 164 1 10 THR H 1 12 GLY H . . 5.010 4.061 3.613 4.670 . 0 0 "[ . 1 . 2]" 1 165 1 10 THR H 1 13 GLU H . . 4.350 3.011 2.483 3.458 . 0 0 "[ . 1 . 2]" 1 166 1 10 THR H 1 13 GLU QB . . 4.330 2.024 1.614 3.753 . 0 0 "[ . 1 . 2]" 1 167 1 10 THR H 1 13 GLU QG . . 5.230 3.094 1.669 4.253 . 0 0 "[ . 1 . 2]" 1 168 1 10 THR H 1 14 ILE H . . 4.470 3.748 3.260 4.554 0.084 9 0 "[ . 1 . 2]" 1 169 1 10 THR H 1 14 ILE MD . . 5.500 4.229 3.827 4.549 . 0 0 "[ . 1 . 2]" 1 170 1 10 THR H 1 33 VAL QG . . 5.150 3.710 2.940 4.293 . 0 0 "[ . 1 . 2]" 1 171 1 10 THR HA 1 10 THR MG . . 3.360 2.509 2.323 2.894 . 0 0 "[ . 1 . 2]" 1 172 1 10 THR HA 1 14 ILE MD . . 5.090 4.787 4.457 5.084 . 0 0 "[ . 1 . 2]" 1 173 1 10 THR HA 1 14 ILE HG13 . . 4.450 4.528 4.447 4.549 0.099 19 0 "[ . 1 . 2]" 1 174 1 10 THR HA 1 33 VAL QG . . 3.600 2.324 1.853 3.058 . 0 0 "[ . 1 . 2]" 1 175 1 10 THR HA 1 34 GLY H . . 4.100 2.593 2.357 3.625 . 0 0 "[ . 1 . 2]" 1 176 1 10 THR HA 1 34 GLY HA2 . . 5.500 5.029 4.804 5.428 . 0 0 "[ . 1 . 2]" 1 177 1 10 THR HB 1 11 PRO HD2 . . 5.500 2.055 1.912 2.373 . 0 0 "[ . 1 . 2]" 1 178 1 10 THR HB 1 11 PRO HD3 . . 5.500 3.187 2.356 3.622 . 0 0 "[ . 1 . 2]" 1 179 1 10 THR HB 1 12 GLY H . . 5.130 3.703 2.625 4.580 . 0 0 "[ . 1 . 2]" 1 180 1 10 THR HB 1 33 VAL QG . . 4.910 4.251 3.784 4.799 . 0 0 "[ . 1 . 2]" 1 181 1 10 THR MG 1 11 PRO HD2 . . 4.130 3.474 3.061 3.867 . 0 0 "[ . 1 . 2]" 1 182 1 10 THR MG 1 11 PRO HD3 . . 5.290 3.982 2.992 4.790 . 0 0 "[ . 1 . 2]" 1 183 1 10 THR MG 1 12 GLY H . . 5.210 4.692 3.793 5.286 0.076 12 0 "[ . 1 . 2]" 1 184 1 10 THR MG 1 13 GLU H . . 5.060 4.290 3.365 5.142 0.082 18 0 "[ . 1 . 2]" 1 185 1 10 THR MG 1 13 GLU QG . . 5.500 3.317 2.385 3.961 . 0 0 "[ . 1 . 2]" 1 186 1 10 THR MG 1 34 GLY H . . 4.650 3.011 2.261 4.220 . 0 0 "[ . 1 . 2]" 1 187 1 11 PRO HA 1 13 GLU H . . 4.980 4.361 3.599 4.732 . 0 0 "[ . 1 . 2]" 1 188 1 11 PRO HA 1 14 ILE H . . 4.540 3.995 3.533 4.587 0.047 15 0 "[ . 1 . 2]" 1 189 1 11 PRO HA 1 14 ILE HB . . 5.250 3.645 3.055 4.356 . 0 0 "[ . 1 . 2]" 1 190 1 11 PRO HA 1 14 ILE MD . . 4.450 4.331 3.660 4.549 0.099 3 0 "[ . 1 . 2]" 1 191 1 11 PRO HA 1 14 ILE HG13 . . 5.500 4.119 3.487 4.606 . 0 0 "[ . 1 . 2]" 1 192 1 11 PRO HA 1 33 VAL QG . . 4.670 3.605 2.974 4.166 . 0 0 "[ . 1 . 2]" 1 193 1 11 PRO HA 1 62 VAL HB . . 4.890 4.171 2.547 4.967 0.077 16 0 "[ . 1 . 2]" 1 194 1 11 PRO HA 1 62 VAL QG . . 3.570 2.265 1.886 3.149 . 0 0 "[ . 1 . 2]" 1 195 1 11 PRO QB 1 12 GLY H . . 4.250 3.753 3.185 4.007 . 0 0 "[ . 1 . 2]" 1 196 1 11 PRO QB 1 33 VAL QG . . 5.500 3.697 2.973 4.311 . 0 0 "[ . 1 . 2]" 1 197 1 11 PRO QB 1 56 TYR H . . 5.500 4.354 3.916 5.204 . 0 0 "[ . 1 . 2]" 1 198 1 11 PRO QB 1 56 TYR HA . . 5.500 2.456 2.166 3.091 . 0 0 "[ . 1 . 2]" 1 199 1 11 PRO QB 1 57 ASP H . . 4.200 3.552 2.959 4.146 . 0 0 "[ . 1 . 2]" 1 200 1 11 PRO QB 1 60 GLY H . . 5.080 3.845 3.105 4.923 . 0 0 "[ . 1 . 2]" 1 201 1 11 PRO QB 1 61 SER HA . . 5.500 2.085 1.945 2.548 . 0 0 "[ . 1 . 2]" 1 202 1 11 PRO QB 1 62 VAL QG . . 4.380 2.031 1.780 2.212 . 0 0 "[ . 1 . 2]" 1 203 1 11 PRO HD2 1 12 GLY H . . 4.630 3.729 2.189 4.628 . 0 0 "[ . 1 . 2]" 1 204 1 11 PRO HD2 1 33 VAL QG . . 4.610 3.759 3.185 4.553 . 0 0 "[ . 1 . 2]" 1 205 1 11 PRO HD3 1 12 GLY H . . 4.790 4.450 3.591 4.862 0.072 6 0 "[ . 1 . 2]" 1 206 1 11 PRO HD3 1 33 VAL QG . . 4.670 2.547 2.143 3.428 . 0 0 "[ . 1 . 2]" 1 207 1 11 PRO HD3 1 34 GLY H . . 5.280 3.884 2.963 4.945 . 0 0 "[ . 1 . 2]" 1 208 1 12 GLY H 1 13 GLU H . . 3.860 2.291 1.924 2.895 . 0 0 "[ . 1 . 2]" 1 209 1 12 GLY H 1 13 GLU QB . . 4.440 4.085 3.461 4.545 0.105 5 0 "[ . 1 . 2]" 1 210 1 12 GLY H 1 13 GLU QG . . 5.500 4.215 3.032 5.092 . 0 0 "[ . 1 . 2]" 1 211 1 12 GLY H 1 14 ILE H . . 5.120 3.382 2.166 4.619 . 0 0 "[ . 1 . 2]" 1 212 1 12 GLY H 1 15 LEU QD . . 5.360 3.732 2.178 4.856 . 0 0 "[ . 1 . 2]" 1 213 1 12 GLY H 1 16 TYR QD . . 5.500 5.079 4.545 5.601 0.101 9 0 "[ . 1 . 2]" 1 214 1 12 GLY H 1 59 GLU QB . . 4.370 4.089 3.156 4.471 0.101 3 0 "[ . 1 . 2]" 1 215 1 12 GLY H 1 59 GLU HG3 . . 5.500 4.037 2.489 4.821 . 0 0 "[ . 1 . 2]" 1 216 1 12 GLY H 1 60 GLY H . . 4.800 4.407 3.682 4.867 0.067 10 0 "[ . 1 . 2]" 1 217 1 12 GLY H 1 62 VAL QG . . 5.500 4.414 3.480 5.257 . 0 0 "[ . 1 . 2]" 1 218 1 12 GLY HA2 1 15 LEU H . . 5.010 3.822 3.174 4.950 . 0 0 "[ . 1 . 2]" 1 219 1 12 GLY HA2 1 15 LEU QD . . 4.420 2.724 1.931 3.579 . 0 0 "[ . 1 . 2]" 1 220 1 12 GLY HA2 1 16 TYR H . . 5.280 3.716 3.298 4.255 . 0 0 "[ . 1 . 2]" 1 221 1 12 GLY HA2 1 16 TYR QD . . 4.250 2.663 2.060 3.425 . 0 0 "[ . 1 . 2]" 1 222 1 12 GLY HA2 1 16 TYR QE . . 4.560 3.287 2.849 3.808 . 0 0 "[ . 1 . 2]" 1 223 1 12 GLY HA2 1 59 GLU H . . 5.500 5.039 4.564 5.557 0.057 18 0 "[ . 1 . 2]" 1 224 1 12 GLY HA2 1 59 GLU QB . . 5.460 2.461 2.028 3.424 . 0 0 "[ . 1 . 2]" 1 225 1 12 GLY HA2 1 59 GLU HG2 . . 5.500 4.345 3.349 5.049 . 0 0 "[ . 1 . 2]" 1 226 1 12 GLY HA2 1 59 GLU HG3 . . 5.500 3.507 2.966 4.294 . 0 0 "[ . 1 . 2]" 1 227 1 12 GLY HA2 1 60 GLY H . . 5.000 3.165 2.407 3.709 . 0 0 "[ . 1 . 2]" 1 228 1 12 GLY HA3 1 16 TYR H . . 5.190 4.643 4.030 5.253 0.063 14 0 "[ . 1 . 2]" 1 229 1 12 GLY HA3 1 16 TYR QD . . 4.350 3.512 2.748 4.052 . 0 0 "[ . 1 . 2]" 1 230 1 12 GLY HA3 1 16 TYR QE . . 4.470 4.334 3.296 4.646 0.176 20 0 "[ . 1 . 2]" 1 231 1 12 GLY HA3 1 59 GLU H . . 5.460 4.566 3.376 5.323 . 0 0 "[ . 1 . 2]" 1 232 1 12 GLY HA3 1 59 GLU QB . . 4.770 2.277 1.968 2.697 . 0 0 "[ . 1 . 2]" 1 233 1 12 GLY HA3 1 59 GLU HG2 . . 5.500 3.223 2.133 3.983 . 0 0 "[ . 1 . 2]" 1 234 1 12 GLY HA3 1 59 GLU HG3 . . 5.120 2.177 1.937 2.789 . 0 0 "[ . 1 . 2]" 1 235 1 12 GLY HA3 1 60 GLY H . . 5.080 3.480 2.093 3.926 . 0 0 "[ . 1 . 2]" 1 236 1 13 GLU H 1 13 GLU QG . . 3.520 2.611 1.856 3.323 . 0 0 "[ . 1 . 2]" 1 237 1 13 GLU H 1 14 ILE HB . . 4.830 4.767 4.032 4.913 0.083 5 0 "[ . 1 . 2]" 1 238 1 13 GLU H 1 14 ILE HG12 . . 5.430 5.297 4.868 5.509 0.079 1 0 "[ . 1 . 2]" 1 239 1 13 GLU H 1 15 LEU H . . 4.420 4.187 3.207 4.502 0.082 11 0 "[ . 1 . 2]" 1 240 1 13 GLU HA 1 16 TYR H . . 4.320 3.668 2.925 4.041 . 0 0 "[ . 1 . 2]" 1 241 1 13 GLU HA 1 16 TYR QD . . 4.970 4.783 4.173 5.062 0.092 4 0 "[ . 1 . 2]" 1 242 1 13 GLU HA 1 17 GLY H . . 3.810 2.857 2.329 3.880 0.070 15 0 "[ . 1 . 2]" 1 243 1 13 GLU HA 1 19 ARG H . . 5.270 4.518 3.752 5.188 . 0 0 "[ . 1 . 2]" 1 244 1 13 GLU QB 1 14 ILE H . . 3.750 3.200 2.297 3.828 0.078 5 0 "[ . 1 . 2]" 1 245 1 13 GLU QB 1 14 ILE MD . . 5.500 4.759 3.947 5.630 0.130 2 0 "[ . 1 . 2]" 1 246 1 13 GLU QG 1 14 ILE H . . 5.470 4.374 3.203 4.959 . 0 0 "[ . 1 . 2]" 1 247 1 13 GLU QG 1 19 ARG H . . 4.160 2.918 1.821 3.889 . 0 0 "[ . 1 . 2]" 1 248 1 13 GLU QG 1 19 ARG HG2 . . 5.000 3.664 2.777 4.579 . 0 0 "[ . 1 . 2]" 1 249 1 13 GLU QG 1 19 ARG HG3 . . 5.150 3.763 2.067 4.899 . 0 0 "[ . 1 . 2]" 1 250 1 14 ILE H 1 14 ILE HB . . 3.330 2.402 2.281 2.575 . 0 0 "[ . 1 . 2]" 1 251 1 14 ILE H 1 14 ILE MD . . 4.260 4.060 3.683 4.352 0.092 16 0 "[ . 1 . 2]" 1 252 1 14 ILE H 1 14 ILE HG12 . . 3.940 3.372 2.973 3.838 . 0 0 "[ . 1 . 2]" 1 253 1 14 ILE H 1 14 ILE HG13 . . 3.760 2.628 2.079 3.133 . 0 0 "[ . 1 . 2]" 1 254 1 14 ILE H 1 14 ILE MG . . 3.710 3.762 3.671 3.801 0.091 19 0 "[ . 1 . 2]" 1 255 1 14 ILE H 1 15 LEU H . . 3.030 2.352 1.836 2.776 . 0 0 "[ . 1 . 2]" 1 256 1 14 ILE H 1 15 LEU HA . . 5.500 5.017 4.534 5.391 . 0 0 "[ . 1 . 2]" 1 257 1 14 ILE H 1 15 LEU QD . . 4.300 3.108 1.982 4.138 . 0 0 "[ . 1 . 2]" 1 258 1 14 ILE H 1 15 LEU HG . . 4.690 4.064 3.009 4.797 0.107 16 0 "[ . 1 . 2]" 1 259 1 14 ILE H 1 16 TYR H . . 4.930 3.982 3.133 4.336 . 0 0 "[ . 1 . 2]" 1 260 1 14 ILE HA 1 14 ILE MD . . 4.130 3.628 3.494 3.800 . 0 0 "[ . 1 . 2]" 1 261 1 14 ILE HA 1 14 ILE MG . . 3.450 2.537 2.387 2.695 . 0 0 "[ . 1 . 2]" 1 262 1 14 ILE HA 1 15 LEU HA . . 5.500 4.657 4.556 4.809 . 0 0 "[ . 1 . 2]" 1 263 1 14 ILE HA 1 25 PRO HD2 . . 4.490 3.172 2.893 3.506 . 0 0 "[ . 1 . 2]" 1 264 1 14 ILE HA 1 25 PRO HG2 . . 5.060 4.017 3.538 4.461 . 0 0 "[ . 1 . 2]" 1 265 1 14 ILE HA 1 25 PRO HG3 . . 4.430 3.306 2.639 3.997 . 0 0 "[ . 1 . 2]" 1 266 1 14 ILE HB 1 15 LEU H . . 3.670 3.211 2.536 3.530 . 0 0 "[ . 1 . 2]" 1 267 1 14 ILE HB 1 15 LEU QD . . 4.270 2.527 2.026 3.075 . 0 0 "[ . 1 . 2]" 1 268 1 14 ILE HB 1 62 VAL QG . . 3.870 2.953 2.287 3.641 . 0 0 "[ . 1 . 2]" 1 269 1 14 ILE MD 1 14 ILE MG . . 3.370 2.007 1.957 2.051 . 0 0 "[ . 1 . 2]" 1 270 1 14 ILE MD 1 15 LEU H . . 5.500 5.285 4.840 5.546 0.046 6 0 "[ . 1 . 2]" 1 271 1 14 ILE MD 1 25 PRO HD3 . . 4.770 4.386 3.855 4.865 0.095 15 0 "[ . 1 . 2]" 1 272 1 14 ILE MD 1 25 PRO HG2 . . 4.070 3.656 2.918 4.158 0.088 12 0 "[ . 1 . 2]" 1 273 1 14 ILE MD 1 25 PRO HG3 . . 4.090 2.687 2.272 3.192 . 0 0 "[ . 1 . 2]" 1 274 1 14 ILE MD 1 33 VAL HA . . 4.700 4.154 3.853 4.791 0.091 7 0 "[ . 1 . 2]" 1 275 1 14 ILE MD 1 33 VAL HB . . 4.380 4.160 2.693 4.478 0.098 16 0 "[ . 1 . 2]" 1 276 1 14 ILE MD 1 62 VAL QG . . 3.520 2.917 2.490 3.388 . 0 0 "[ . 1 . 2]" 1 277 1 14 ILE MD 1 86 LEU QD . . 3.680 2.839 2.326 3.474 . 0 0 "[ . 1 . 2]" 1 278 1 14 ILE HG12 1 25 PRO HD2 . . 5.310 4.204 3.699 4.534 . 0 0 "[ . 1 . 2]" 1 279 1 14 ILE HG13 1 15 LEU H . . 4.980 4.630 4.320 4.972 . 0 0 "[ . 1 . 2]" 1 280 1 14 ILE HG13 1 33 VAL QG . . 4.220 3.121 2.792 3.438 . 0 0 "[ . 1 . 2]" 1 281 1 14 ILE MG 1 15 LEU H . . 3.860 3.760 3.143 3.960 0.100 19 0 "[ . 1 . 2]" 1 282 1 14 ILE MG 1 15 LEU HA . . 4.270 3.750 3.168 4.104 . 0 0 "[ . 1 . 2]" 1 283 1 14 ILE MG 1 15 LEU HG . . 5.500 4.461 3.358 5.396 . 0 0 "[ . 1 . 2]" 1 284 1 14 ILE MG 1 16 TYR H . . 5.500 5.479 5.037 5.594 0.094 19 0 "[ . 1 . 2]" 1 285 1 14 ILE MG 1 24 MET ME . . 4.310 3.909 3.453 4.260 . 0 0 "[ . 1 . 2]" 1 286 1 14 ILE MG 1 25 PRO HG2 . . 4.220 2.777 2.333 3.549 . 0 0 "[ . 1 . 2]" 1 287 1 14 ILE MG 1 25 PRO HG3 . . 3.660 2.688 2.163 3.481 . 0 0 "[ . 1 . 2]" 1 288 1 14 ILE MG 1 86 LEU QD . . 3.070 2.458 2.128 2.989 . 0 0 "[ . 1 . 2]" 1 289 1 14 ILE MG 1 90 ASN H . . 5.020 4.653 4.032 5.112 0.092 15 0 "[ . 1 . 2]" 1 290 1 14 ILE MG 1 90 ASN HA . . 4.140 2.812 2.159 3.692 . 0 0 "[ . 1 . 2]" 1 291 1 14 ILE MG 1 90 ASN HB2 . . 4.530 4.343 3.687 4.628 0.098 5 0 "[ . 1 . 2]" 1 292 1 14 ILE MG 1 90 ASN HB3 . . 4.310 3.075 2.194 4.648 0.338 19 0 "[ . 1 . 2]" 1 293 1 14 ILE MG 1 90 ASN HD21 . . 4.360 2.107 1.756 2.673 . 0 0 "[ . 1 . 2]" 1 294 1 14 ILE MG 1 90 ASN HD22 . . 4.890 3.188 1.623 3.618 . 0 0 "[ . 1 . 2]" 1 295 1 14 ILE MG 1 91 HIS H . . 4.970 4.719 4.114 5.080 0.110 2 0 "[ . 1 . 2]" 1 296 1 15 LEU H 1 15 LEU HB2 . . 3.490 3.082 2.176 3.561 0.071 13 0 "[ . 1 . 2]" 1 297 1 15 LEU H 1 15 LEU HB3 . . 3.840 3.602 3.244 3.789 . 0 0 "[ . 1 . 2]" 1 298 1 15 LEU H 1 15 LEU QD . . 3.910 2.384 1.585 3.139 . 0 0 "[ . 1 . 2]" 1 299 1 15 LEU H 1 15 LEU HG . . 3.280 2.596 2.004 3.377 0.097 16 0 "[ . 1 . 2]" 1 300 1 15 LEU H 1 16 TYR H . . 3.570 2.235 1.943 2.706 . 0 0 "[ . 1 . 2]" 1 301 1 15 LEU H 1 16 TYR QD . . 5.310 3.791 3.257 4.777 . 0 0 "[ . 1 . 2]" 1 302 1 15 LEU H 1 17 GLY H . . 4.470 3.689 3.162 4.501 0.031 19 0 "[ . 1 . 2]" 1 303 1 15 LEU HA 1 15 LEU QD . . 3.150 2.809 2.313 3.136 . 0 0 "[ . 1 . 2]" 1 304 1 15 LEU HA 1 15 LEU HG . . 3.850 3.523 2.148 3.918 0.068 9 0 "[ . 1 . 2]" 1 305 1 15 LEU HA 1 16 TYR QD . . 4.500 4.544 4.361 4.604 0.104 19 0 "[ . 1 . 2]" 1 306 1 15 LEU HA 1 90 ASN HD21 . . 5.300 3.675 2.885 4.786 . 0 0 "[ . 1 . 2]" 1 307 1 15 LEU HA 1 90 ASN HD22 . . 5.200 2.920 2.308 4.161 . 0 0 "[ . 1 . 2]" 1 308 1 15 LEU HB2 1 16 TYR H . . 3.730 2.784 2.372 3.253 . 0 0 "[ . 1 . 2]" 1 309 1 15 LEU HB2 1 16 TYR QD . . 4.210 2.314 1.977 2.695 . 0 0 "[ . 1 . 2]" 1 310 1 15 LEU HB2 1 17 GLY H . . 5.230 5.077 4.395 5.311 0.081 1 0 "[ . 1 . 2]" 1 311 1 15 LEU HB3 1 16 TYR H . . 4.260 3.928 3.248 4.316 0.056 3 0 "[ . 1 . 2]" 1 312 1 15 LEU HB3 1 16 TYR QD . . 4.230 3.889 2.883 4.324 0.094 15 0 "[ . 1 . 2]" 1 313 1 15 LEU HB3 1 16 TYR QE . . 5.000 4.317 3.523 5.051 0.051 8 0 "[ . 1 . 2]" 1 314 1 15 LEU QD 1 16 TYR H . . 4.610 3.424 2.435 3.939 . 0 0 "[ . 1 . 2]" 1 315 1 15 LEU QD 1 16 TYR QD . . 3.970 2.966 2.039 3.492 . 0 0 "[ . 1 . 2]" 1 316 1 15 LEU QD 1 16 TYR QE . . 3.410 2.530 2.060 3.325 . 0 0 "[ . 1 . 2]" 1 317 1 15 LEU QD 1 24 MET ME . . 5.010 4.398 4.094 4.794 . 0 0 "[ . 1 . 2]" 1 318 1 15 LEU QD 1 60 GLY H . . 4.370 3.712 2.894 4.336 . 0 0 "[ . 1 . 2]" 1 319 1 15 LEU QD 1 60 GLY HA2 . . 3.930 3.434 3.083 3.941 0.011 9 0 "[ . 1 . 2]" 1 320 1 15 LEU QD 1 60 GLY HA3 . . 3.520 2.153 1.939 2.499 . 0 0 "[ . 1 . 2]" 1 321 1 15 LEU QD 1 61 SER H . . 3.090 2.412 2.027 3.006 . 0 0 "[ . 1 . 2]" 1 322 1 15 LEU QD 1 90 ASN HA . . 4.880 3.944 3.461 4.593 . 0 0 "[ . 1 . 2]" 1 323 1 15 LEU QD 1 90 ASN HB2 . . 3.840 3.138 2.407 3.794 . 0 0 "[ . 1 . 2]" 1 324 1 15 LEU QD 1 90 ASN HB3 . . 4.030 2.376 2.077 2.964 . 0 0 "[ . 1 . 2]" 1 325 1 15 LEU QD 1 90 ASN HD21 . . 3.740 2.862 2.445 3.667 . 0 0 "[ . 1 . 2]" 1 326 1 15 LEU QD 1 90 ASN HD22 . . 3.840 3.032 2.413 3.800 . 0 0 "[ . 1 . 2]" 1 327 1 15 LEU HG 1 16 TYR H . . 4.630 3.528 2.204 4.641 0.011 10 0 "[ . 1 . 2]" 1 328 1 15 LEU HG 1 16 TYR QD . . 4.810 3.712 2.693 4.915 0.105 17 0 "[ . 1 . 2]" 1 329 1 15 LEU HG 1 16 TYR QE . . 5.500 4.246 3.471 5.544 0.044 10 0 "[ . 1 . 2]" 1 330 1 15 LEU HG 1 90 ASN HD21 . . 5.340 5.027 3.133 5.413 0.073 1 0 "[ . 1 . 2]" 1 331 1 15 LEU HG 1 90 ASN HD22 . . 5.310 4.860 2.768 5.381 0.071 6 0 "[ . 1 . 2]" 1 332 1 16 TYR H 1 16 TYR HB2 . . 3.850 2.392 2.274 2.512 . 0 0 "[ . 1 . 2]" 1 333 1 16 TYR H 1 16 TYR HB3 . . 4.060 3.548 3.505 3.616 . 0 0 "[ . 1 . 2]" 1 334 1 16 TYR H 1 16 TYR QD . . 3.850 2.431 1.894 3.085 . 0 0 "[ . 1 . 2]" 1 335 1 16 TYR H 1 16 TYR QE . . 4.460 4.451 4.155 4.551 0.091 4 0 "[ . 1 . 2]" 1 336 1 16 TYR H 1 17 GLY H . . 3.130 2.567 2.227 3.111 . 0 0 "[ . 1 . 2]" 1 337 1 16 TYR H 1 24 MET ME . . 4.770 3.780 3.410 4.431 . 0 0 "[ . 1 . 2]" 1 338 1 16 TYR HA 1 16 TYR QD . . 3.200 2.865 2.068 3.278 0.078 10 0 "[ . 1 . 2]" 1 339 1 16 TYR HB2 1 17 GLY H . . 4.960 2.835 1.975 3.923 . 0 0 "[ . 1 . 2]" 1 340 1 16 TYR HB3 1 17 GLY H . . 4.920 3.718 2.785 4.474 . 0 0 "[ . 1 . 2]" 1 341 1 16 TYR QD 1 17 GLY H . . 4.620 4.320 3.874 4.679 0.059 14 0 "[ . 1 . 2]" 1 342 1 16 TYR QD 1 24 MET ME . . 5.050 5.135 4.975 5.191 0.141 7 0 "[ . 1 . 2]" 1 343 1 16 TYR QD 1 59 GLU HA . . 4.970 4.847 4.360 5.064 0.094 6 0 "[ . 1 . 2]" 1 344 1 16 TYR QD 1 59 GLU QB . . 4.020 2.915 2.343 3.221 . 0 0 "[ . 1 . 2]" 1 345 1 16 TYR QD 1 59 GLU HG2 . . 5.500 5.458 4.507 5.609 0.109 5 0 "[ . 1 . 2]" 1 346 1 16 TYR QD 1 59 GLU HG3 . . 5.500 4.431 3.534 4.713 . 0 0 "[ . 1 . 2]" 1 347 1 16 TYR QD 1 60 GLY H . . 5.500 4.733 4.401 5.035 . 0 0 "[ . 1 . 2]" 1 348 1 16 TYR QD 1 60 GLY HA2 . . 5.500 5.515 5.226 5.595 0.095 19 0 "[ . 1 . 2]" 1 349 1 16 TYR QD 1 60 GLY HA3 . . 5.500 4.311 3.940 4.819 . 0 0 "[ . 1 . 2]" 1 350 1 16 TYR QE 1 59 GLU HA . . 3.920 3.625 2.823 3.995 0.075 9 0 "[ . 1 . 2]" 1 351 1 16 TYR QE 1 59 GLU QB . . 3.680 2.656 2.122 3.063 . 0 0 "[ . 1 . 2]" 1 352 1 16 TYR QE 1 59 GLU HG2 . . 5.500 5.256 4.628 5.569 0.069 19 0 "[ . 1 . 2]" 1 353 1 16 TYR QE 1 59 GLU HG3 . . 5.500 4.843 4.194 5.243 . 0 0 "[ . 1 . 2]" 1 354 1 16 TYR QE 1 60 GLY H . . 5.140 3.592 3.199 4.093 . 0 0 "[ . 1 . 2]" 1 355 1 16 TYR QE 1 60 GLY HA2 . . 4.300 3.512 3.179 3.838 . 0 0 "[ . 1 . 2]" 1 356 1 16 TYR QE 1 60 GLY HA3 . . 4.500 2.736 2.283 3.642 . 0 0 "[ . 1 . 2]" 1 357 1 17 GLY H 1 18 LYS H . . 4.350 4.103 3.689 4.376 0.026 15 0 "[ . 1 . 2]" 1 358 1 17 GLY H 1 24 MET ME . . 4.660 2.895 2.083 3.582 . 0 0 "[ . 1 . 2]" 1 359 1 17 GLY H 1 24 MET HG2 . . 5.270 4.954 4.137 5.741 0.471 4 0 "[ . 1 . 2]" 1 360 1 17 GLY HA2 1 18 LYS H . . 3.440 2.334 2.057 2.523 . 0 0 "[ . 1 . 2]" 1 361 1 17 GLY HA3 1 18 LYS H . . 3.480 3.010 2.693 3.304 . 0 0 "[ . 1 . 2]" 1 362 1 17 GLY HA3 1 24 MET ME . . 4.940 3.439 2.702 4.144 . 0 0 "[ . 1 . 2]" 1 363 1 18 LYS H 1 18 LYS HB2 . . 3.690 2.314 2.066 2.489 . 0 0 "[ . 1 . 2]" 1 364 1 18 LYS H 1 18 LYS HB3 . . 3.610 2.651 2.296 3.030 . 0 0 "[ . 1 . 2]" 1 365 1 18 LYS H 1 18 LYS HD2 . . 4.470 4.365 3.823 4.558 0.088 1 0 "[ . 1 . 2]" 1 366 1 18 LYS H 1 18 LYS HD3 . . 5.020 4.655 4.035 5.105 0.085 13 0 "[ . 1 . 2]" 1 367 1 18 LYS H 1 19 ARG H . . 5.080 4.570 4.384 4.698 . 0 0 "[ . 1 . 2]" 1 368 1 18 LYS H 1 22 GLN H . . 5.310 4.457 3.692 5.349 0.039 10 0 "[ . 1 . 2]" 1 369 1 18 LYS H 1 23 GLN H . . 4.080 3.567 2.203 4.143 0.063 20 0 "[ . 1 . 2]" 1 370 1 18 LYS H 1 24 MET HA . . 4.870 3.605 2.904 4.182 . 0 0 "[ . 1 . 2]" 1 371 1 18 LYS H 1 24 MET HG2 . . 5.080 3.428 2.166 4.693 . 0 0 "[ . 1 . 2]" 1 372 1 18 LYS HA 1 18 LYS HD2 . . 5.050 3.220 2.268 4.329 . 0 0 "[ . 1 . 2]" 1 373 1 18 LYS HA 1 18 LYS HD3 . . 5.040 4.119 3.243 4.668 . 0 0 "[ . 1 . 2]" 1 374 1 18 LYS HA 1 19 ARG H . . 3.390 2.221 1.985 2.486 . 0 0 "[ . 1 . 2]" 1 375 1 18 LYS HA 1 19 ARG HG3 . . 5.500 4.533 3.746 6.031 0.531 15 1 "[ . 1 + 2]" 1 376 1 18 LYS HA 1 22 GLN QE . . 4.740 4.344 3.978 4.689 . 0 0 "[ . 1 . 2]" 1 377 1 18 LYS HA 1 23 GLN H . . 5.500 5.186 4.370 5.580 0.080 13 0 "[ . 1 . 2]" 1 378 1 18 LYS HB2 1 18 LYS QE . . 4.850 3.892 3.567 4.024 . 0 0 "[ . 1 . 2]" 1 379 1 18 LYS HB2 1 19 ARG H . . 4.470 4.173 3.878 4.535 0.065 9 0 "[ . 1 . 2]" 1 380 1 18 LYS HB2 1 23 GLN H . . 4.140 3.317 2.217 4.220 0.080 13 0 "[ . 1 . 2]" 1 381 1 18 LYS HB3 1 19 ARG H . . 5.500 3.849 3.213 4.350 . 0 0 "[ . 1 . 2]" 1 382 1 18 LYS HB3 1 20 GLU H . . 4.860 4.128 2.896 4.942 0.082 13 0 "[ . 1 . 2]" 1 383 1 18 LYS HB3 1 21 THR H . . 5.380 4.008 2.460 5.268 . 0 0 "[ . 1 . 2]" 1 384 1 18 LYS HB3 1 22 GLN H . . 4.050 2.967 1.911 4.118 0.068 13 0 "[ . 1 . 2]" 1 385 1 18 LYS HB3 1 23 GLN H . . 4.040 2.536 1.704 3.467 . 0 0 "[ . 1 . 2]" 1 386 1 18 LYS HD2 1 19 ARG H . . 4.670 4.308 3.328 4.763 0.093 5 0 "[ . 1 . 2]" 1 387 1 18 LYS HD3 1 19 ARG H . . 5.350 4.964 4.008 5.433 0.083 6 0 "[ . 1 . 2]" 1 388 1 18 LYS HD3 1 23 GLN H . . 4.740 4.177 2.974 4.824 0.084 3 0 "[ . 1 . 2]" 1 389 1 18 LYS HD3 1 23 GLN HE21 . . 5.440 3.038 1.747 4.860 . 0 0 "[ . 1 . 2]" 1 390 1 18 LYS QE 1 19 ARG H . . 5.340 4.609 3.924 5.093 . 0 0 "[ . 1 . 2]" 1 391 1 18 LYS QE 1 23 GLN HE21 . . 4.360 3.836 2.961 4.325 . 0 0 "[ . 1 . 2]" 1 392 1 18 LYS QG 1 19 ARG H . . 4.470 2.404 1.855 2.836 . 0 0 "[ . 1 . 2]" 1 393 1 18 LYS QG 1 20 GLU H . . 4.460 3.473 1.994 4.272 . 0 0 "[ . 1 . 2]" 1 394 1 18 LYS QG 1 21 THR H . . 5.500 4.460 2.461 5.389 . 0 0 "[ . 1 . 2]" 1 395 1 19 ARG H 1 19 ARG HB2 . . 3.480 3.048 2.315 3.751 0.271 9 0 "[ . 1 . 2]" 1 396 1 19 ARG H 1 19 ARG HB3 . . 3.760 3.522 2.580 3.831 0.071 5 0 "[ . 1 . 2]" 1 397 1 19 ARG H 1 19 ARG QD . . 4.870 4.207 3.499 4.807 . 0 0 "[ . 1 . 2]" 1 398 1 19 ARG H 1 19 ARG HG2 . . 3.550 3.036 2.179 3.891 0.341 6 0 "[ . 1 . 2]" 1 399 1 19 ARG H 1 19 ARG HG3 . . 4.020 2.594 2.042 3.618 . 0 0 "[ . 1 . 2]" 1 400 1 19 ARG H 1 20 GLU H . . 4.770 3.336 2.458 3.967 . 0 0 "[ . 1 . 2]" 1 401 1 19 ARG HA 1 19 ARG QD . . 4.360 3.997 3.115 4.286 . 0 0 "[ . 1 . 2]" 1 402 1 19 ARG HA 1 19 ARG HG3 . . 3.900 3.221 2.751 3.810 . 0 0 "[ . 1 . 2]" 1 403 1 19 ARG HA 1 22 GLN QE . . 4.590 3.359 1.949 4.175 . 0 0 "[ . 1 . 2]" 1 404 1 19 ARG HB2 1 20 GLU H . . 4.450 3.162 2.169 4.161 . 0 0 "[ . 1 . 2]" 1 405 1 19 ARG HB3 1 20 GLU H . . 4.590 3.691 2.488 4.499 . 0 0 "[ . 1 . 2]" 1 406 1 19 ARG HB3 1 22 GLN QE . . 5.160 3.781 2.986 4.744 . 0 0 "[ . 1 . 2]" 1 407 1 19 ARG HG3 1 22 GLN QE . . 5.430 4.122 2.978 5.214 . 0 0 "[ . 1 . 2]" 1 408 1 20 GLU H 1 20 GLU HB3 . . 4.140 3.629 3.324 3.903 . 0 0 "[ . 1 . 2]" 1 409 1 20 GLU H 1 20 GLU HG2 . . 4.550 3.933 2.698 4.597 0.047 19 0 "[ . 1 . 2]" 1 410 1 20 GLU H 1 20 GLU HG3 . . 4.550 3.535 2.556 4.631 0.081 2 0 "[ . 1 . 2]" 1 411 1 20 GLU H 1 21 THR H . . 5.470 2.801 2.111 3.384 . 0 0 "[ . 1 . 2]" 1 412 1 20 GLU H 1 21 THR MG . . 5.270 4.724 3.798 5.195 . 0 0 "[ . 1 . 2]" 1 413 1 20 GLU H 1 22 GLN H . . 5.500 3.628 2.903 4.245 . 0 0 "[ . 1 . 2]" 1 414 1 20 GLU HA 1 20 GLU HG3 . . 3.760 2.938 2.247 3.700 . 0 0 "[ . 1 . 2]" 1 415 1 20 GLU HA 1 22 GLN QE . . 5.360 4.336 3.925 5.182 . 0 0 "[ . 1 . 2]" 1 416 1 20 GLU HB2 1 21 THR H . . 4.290 2.376 1.916 2.951 . 0 0 "[ . 1 . 2]" 1 417 1 20 GLU HB2 1 21 THR MG . . 3.920 3.317 2.283 3.984 0.064 8 0 "[ . 1 . 2]" 1 418 1 20 GLU HB2 1 22 GLN H . . 4.830 4.020 3.025 4.876 0.046 6 0 "[ . 1 . 2]" 1 419 1 20 GLU HB3 1 21 THR H . . 4.240 2.847 2.356 3.491 . 0 0 "[ . 1 . 2]" 1 420 1 20 GLU HB3 1 21 THR MG . . 3.740 2.653 2.129 3.191 . 0 0 "[ . 1 . 2]" 1 421 1 20 GLU HB3 1 22 GLN H . . 4.860 4.786 4.220 4.940 0.080 17 0 "[ . 1 . 2]" 1 422 1 20 GLU HG2 1 21 THR H . . 4.930 4.725 4.277 4.972 0.042 10 0 "[ . 1 . 2]" 1 423 1 20 GLU HG2 1 21 THR MG . . 5.210 4.801 3.586 5.303 0.093 8 0 "[ . 1 . 2]" 1 424 1 20 GLU HG3 1 21 THR MG . . 5.140 5.002 3.965 5.232 0.092 20 0 "[ . 1 . 2]" 1 425 1 21 THR H 1 21 THR MG . . 3.960 2.616 2.315 3.257 . 0 0 "[ . 1 . 2]" 1 426 1 21 THR H 1 22 GLN H . . 3.970 2.022 1.558 2.356 . 0 0 "[ . 1 . 2]" 1 427 1 21 THR H 1 22 GLN HA . . 4.640 3.866 3.599 4.266 . 0 0 "[ . 1 . 2]" 1 428 1 21 THR H 1 22 GLN QB . . 4.940 4.070 3.109 4.922 . 0 0 "[ . 1 . 2]" 1 429 1 21 THR H 1 22 GLN QE . . 5.500 3.106 2.536 3.957 . 0 0 "[ . 1 . 2]" 1 430 1 21 THR H 1 23 GLN H . . 5.200 4.434 2.991 5.101 . 0 0 "[ . 1 . 2]" 1 431 1 21 THR HA 1 21 THR MG . . 3.270 3.218 2.304 3.289 0.019 1 0 "[ . 1 . 2]" 1 432 1 21 THR HA 1 22 GLN QE . . 5.500 4.266 3.213 5.396 . 0 0 "[ . 1 . 2]" 1 433 1 21 THR MG 1 22 GLN H . . 4.750 3.668 2.232 4.458 . 0 0 "[ . 1 . 2]" 1 434 1 21 THR MG 1 23 GLN H . . 5.340 4.757 2.744 5.448 0.108 3 0 "[ . 1 . 2]" 1 435 1 22 GLN H 1 22 GLN QB . . 3.480 2.779 2.366 3.280 . 0 0 "[ . 1 . 2]" 1 436 1 22 GLN H 1 22 GLN QE . . 5.360 2.490 1.835 3.972 . 0 0 "[ . 1 . 2]" 1 437 1 22 GLN H 1 22 GLN HG2 . . 3.930 3.214 2.089 4.428 0.498 6 0 "[ . 1 . 2]" 1 438 1 22 GLN H 1 22 GLN HG3 . . 5.300 3.474 2.127 4.375 . 0 0 "[ . 1 . 2]" 1 439 1 22 GLN H 1 23 GLN H . . 3.830 3.004 2.428 3.870 0.040 10 0 "[ . 1 . 2]" 1 440 1 22 GLN H 1 23 GLN HE21 . . 5.460 5.409 4.509 5.551 0.091 3 0 "[ . 1 . 2]" 1 441 1 22 GLN H 1 23 GLN QG . . 5.500 4.857 3.478 5.596 0.096 19 0 "[ . 1 . 2]" 1 442 1 22 GLN HA 1 22 GLN HG2 . . 3.730 3.523 2.722 3.806 0.076 13 0 "[ . 1 . 2]" 1 443 1 22 GLN HA 1 22 GLN HG3 . . 4.270 3.376 2.186 4.278 0.008 13 0 "[ . 1 . 2]" 1 444 1 22 GLN QB 1 23 GLN H . . 5.500 3.403 2.427 4.027 . 0 0 "[ . 1 . 2]" 1 445 1 22 GLN HG3 1 23 GLN H . . 5.500 4.395 2.626 5.873 0.373 12 0 "[ . 1 . 2]" 1 446 1 23 GLN H 1 23 GLN HB2 . . 3.740 3.820 2.584 4.207 0.467 8 0 "[ . 1 . 2]" 1 447 1 23 GLN H 1 23 GLN QG . . 3.290 2.893 1.879 3.368 0.078 8 0 "[ . 1 . 2]" 1 448 1 23 GLN H 1 24 MET H . . 4.790 3.698 1.652 4.455 . 0 0 "[ . 1 . 2]" 1 449 1 23 GLN HA 1 23 GLN HE21 . . 5.360 4.885 3.660 5.448 0.088 14 0 "[ . 1 . 2]" 1 450 1 23 GLN HA 1 23 GLN QG . . 3.880 3.316 2.379 3.542 . 0 0 "[ . 1 . 2]" 1 451 1 23 GLN HA 1 24 MET H . . 3.460 2.715 2.107 3.518 0.058 9 0 "[ . 1 . 2]" 1 452 1 23 GLN HA 1 24 MET HG3 . . 5.230 4.575 3.727 5.436 0.206 4 0 "[ . 1 . 2]" 1 453 1 23 GLN HB2 1 23 GLN HE22 . . 5.370 4.486 3.531 5.416 0.046 19 0 "[ . 1 . 2]" 1 454 1 23 GLN HB2 1 24 MET H . . 5.500 2.659 2.012 4.395 . 0 0 "[ . 1 . 2]" 1 455 1 23 GLN HE22 1 23 GLN QG . . 3.520 3.326 3.173 3.520 . 0 0 "[ . 1 . 2]" 1 456 1 23 GLN QG 1 24 MET H . . 4.060 3.933 2.621 4.167 0.107 10 0 "[ . 1 . 2]" 1 457 1 24 MET H 1 24 MET HB2 . . 3.850 2.829 2.229 3.872 0.022 9 0 "[ . 1 . 2]" 1 458 1 24 MET H 1 24 MET HG2 . . 4.460 3.397 2.686 3.887 . 0 0 "[ . 1 . 2]" 1 459 1 24 MET H 1 24 MET HG3 . . 4.280 3.483 2.453 4.348 0.068 14 0 "[ . 1 . 2]" 1 460 1 24 MET H 1 25 PRO HD2 . . 5.500 4.853 4.045 5.084 . 0 0 "[ . 1 . 2]" 1 461 1 24 MET H 1 25 PRO HD3 . . 5.500 4.848 3.368 5.268 . 0 0 "[ . 1 . 2]" 1 462 1 24 MET HA 1 24 MET ME . . 3.300 3.328 2.873 3.399 0.099 17 0 "[ . 1 . 2]" 1 463 1 24 MET HA 1 25 PRO HG2 . . 5.500 4.677 4.269 4.950 . 0 0 "[ . 1 . 2]" 1 464 1 24 MET HB3 1 25 PRO HD2 . . 3.840 2.409 2.045 3.487 . 0 0 "[ . 1 . 2]" 1 465 1 24 MET ME 1 24 MET HG2 . . 3.740 2.367 2.218 3.358 . 0 0 "[ . 1 . 2]" 1 466 1 24 MET ME 1 24 MET HG3 . . 3.970 3.117 2.326 3.416 . 0 0 "[ . 1 . 2]" 1 467 1 24 MET ME 1 25 PRO HD2 . . 3.800 3.177 2.660 3.873 0.073 12 0 "[ . 1 . 2]" 1 468 1 24 MET ME 1 25 PRO HD3 . . 4.470 4.057 3.630 4.530 0.060 15 0 "[ . 1 . 2]" 1 469 1 24 MET ME 1 25 PRO HG2 . . 5.500 4.800 4.199 5.544 0.044 16 0 "[ . 1 . 2]" 1 470 1 24 MET HG2 1 25 PRO HD2 . . 4.620 3.932 3.423 4.768 0.148 4 0 "[ . 1 . 2]" 1 471 1 24 MET HG3 1 25 PRO HD2 . . 5.500 4.765 4.052 5.463 . 0 0 "[ . 1 . 2]" 1 472 1 25 PRO HA 1 26 GLU H . . 3.160 2.332 2.195 2.461 . 0 0 "[ . 1 . 2]" 1 473 1 25 PRO HA 1 86 LEU QD . . 5.340 4.388 4.079 4.650 . 0 0 "[ . 1 . 2]" 1 474 1 25 PRO HB2 1 26 GLU H . . 3.690 2.944 2.495 3.392 . 0 0 "[ . 1 . 2]" 1 475 1 25 PRO HB2 1 31 LEU QD . . 3.870 2.625 2.262 3.385 . 0 0 "[ . 1 . 2]" 1 476 1 25 PRO HB2 1 86 LEU QD . . 4.970 2.324 2.083 2.775 . 0 0 "[ . 1 . 2]" 1 477 1 25 PRO HB3 1 26 GLU H . . 3.880 3.725 3.378 3.933 0.053 5 0 "[ . 1 . 2]" 1 478 1 25 PRO HB3 1 29 GLN QE . . 4.880 2.897 2.235 3.966 . 0 0 "[ . 1 . 2]" 1 479 1 25 PRO HB3 1 31 LEU QD . . 5.500 3.243 2.736 4.106 . 0 0 "[ . 1 . 2]" 1 480 1 25 PRO HB3 1 86 LEU QD . . 5.230 3.633 3.303 4.209 . 0 0 "[ . 1 . 2]" 1 481 1 25 PRO HD2 1 26 GLU H . . 5.500 5.532 5.403 5.582 0.082 15 0 "[ . 1 . 2]" 1 482 1 25 PRO HD2 1 86 LEU QD . . 5.080 3.972 3.638 4.420 . 0 0 "[ . 1 . 2]" 1 483 1 25 PRO HD3 1 86 LEU QD . . 5.500 4.521 4.296 4.907 . 0 0 "[ . 1 . 2]" 1 484 1 25 PRO HG3 1 86 LEU QD . . 3.690 3.009 2.655 3.707 0.017 3 0 "[ . 1 . 2]" 1 485 1 26 GLU H 1 26 GLU HB2 . . 3.230 2.166 1.959 2.916 . 0 0 "[ . 1 . 2]" 1 486 1 26 GLU H 1 26 GLU HB3 . . 3.470 3.238 1.947 3.525 0.055 10 0 "[ . 1 . 2]" 1 487 1 26 GLU H 1 26 GLU QG . . 3.590 3.230 2.682 3.684 0.094 11 0 "[ . 1 . 2]" 1 488 1 26 GLU H 1 27 VAL H . . 4.520 4.550 4.495 4.583 0.063 17 0 "[ . 1 . 2]" 1 489 1 26 GLU H 1 29 GLN HB3 . . 3.860 3.918 3.703 3.939 0.079 9 0 "[ . 1 . 2]" 1 490 1 26 GLU H 1 29 GLN QE . . 4.990 2.949 2.406 3.785 . 0 0 "[ . 1 . 2]" 1 491 1 26 GLU H 1 29 GLN HG2 . . 4.520 2.228 2.056 2.594 . 0 0 "[ . 1 . 2]" 1 492 1 26 GLU H 1 31 LEU QD . . 4.790 4.027 3.725 4.350 . 0 0 "[ . 1 . 2]" 1 493 1 26 GLU H 1 86 LEU QD . . 4.140 3.952 3.725 4.189 0.049 19 0 "[ . 1 . 2]" 1 494 1 26 GLU HA 1 27 VAL H . . 2.740 2.247 2.122 2.418 . 0 0 "[ . 1 . 2]" 1 495 1 26 GLU HA 1 27 VAL HA . . 4.770 4.447 4.315 4.534 . 0 0 "[ . 1 . 2]" 1 496 1 26 GLU HA 1 27 VAL QG . . 4.180 3.558 3.257 3.972 . 0 0 "[ . 1 . 2]" 1 497 1 26 GLU HA 1 86 LEU QD . . 4.300 4.025 3.551 4.292 . 0 0 "[ . 1 . 2]" 1 498 1 26 GLU HB2 1 27 VAL H . . 4.650 4.294 3.954 4.620 . 0 0 "[ . 1 . 2]" 1 499 1 26 GLU HB2 1 29 GLN QE . . 4.630 4.067 3.584 5.214 0.584 5 1 "[ + 1 . 2]" 1 500 1 26 GLU HB3 1 27 VAL H . . 3.880 3.316 2.890 4.428 0.548 5 1 "[ + 1 . 2]" 1 501 1 26 GLU QG 1 27 VAL H . . 3.900 3.410 2.231 3.961 0.061 14 0 "[ . 1 . 2]" 1 502 1 26 GLU QG 1 27 VAL QG . . 5.230 4.390 3.262 5.086 . 0 0 "[ . 1 . 2]" 1 503 1 26 GLU QG 1 28 GLY H . . 5.500 3.653 2.163 4.516 . 0 0 "[ . 1 . 2]" 1 504 1 27 VAL H 1 27 VAL HB . . 2.870 2.512 2.181 2.779 . 0 0 "[ . 1 . 2]" 1 505 1 27 VAL H 1 27 VAL QG . . 3.160 2.090 1.809 2.409 . 0 0 "[ . 1 . 2]" 1 506 1 27 VAL H 1 28 GLY H . . 4.380 2.549 2.329 2.794 . 0 0 "[ . 1 . 2]" 1 507 1 27 VAL H 1 86 LEU QD . . 4.220 3.550 3.253 3.871 . 0 0 "[ . 1 . 2]" 1 508 1 27 VAL HA 1 28 GLY H . . 3.540 3.296 3.060 3.478 . 0 0 "[ . 1 . 2]" 1 509 1 27 VAL HA 1 28 GLY HA2 . . 4.670 4.509 4.198 4.704 0.034 15 0 "[ . 1 . 2]" 1 510 1 27 VAL HA 1 29 GLN H . . 3.800 3.762 3.432 3.880 0.080 4 0 "[ . 1 . 2]" 1 511 1 27 VAL HA 1 86 LEU H . . 5.250 4.665 4.389 4.954 . 0 0 "[ . 1 . 2]" 1 512 1 27 VAL HA 1 86 LEU HA . . 4.660 4.740 4.722 4.752 0.092 10 0 "[ . 1 . 2]" 1 513 1 27 VAL HA 1 86 LEU HB2 . . 4.630 3.392 3.077 3.752 . 0 0 "[ . 1 . 2]" 1 514 1 27 VAL HA 1 86 LEU HB3 . . 5.180 2.071 1.972 2.296 . 0 0 "[ . 1 . 2]" 1 515 1 27 VAL HA 1 86 LEU QD . . 3.670 2.057 1.905 2.437 . 0 0 "[ . 1 . 2]" 1 516 1 27 VAL HA 1 86 LEU HG . . 4.210 3.477 2.048 4.282 0.072 15 0 "[ . 1 . 2]" 1 517 1 27 VAL HA 1 87 GLU H . . 5.440 5.063 4.717 5.384 . 0 0 "[ . 1 . 2]" 1 518 1 27 VAL HB 1 28 GLY H . . 4.300 3.856 3.296 4.366 0.066 19 0 "[ . 1 . 2]" 1 519 1 27 VAL QG 1 28 GLY H . . 4.010 3.376 2.571 3.744 . 0 0 "[ . 1 . 2]" 1 520 1 27 VAL QG 1 28 GLY HA2 . . 4.880 4.036 3.657 4.297 . 0 0 "[ . 1 . 2]" 1 521 1 27 VAL QG 1 28 GLY HA3 . . 4.970 4.310 3.659 4.748 . 0 0 "[ . 1 . 2]" 1 522 1 27 VAL QG 1 29 GLN H . . 5.190 4.590 4.331 4.722 . 0 0 "[ . 1 . 2]" 1 523 1 27 VAL QG 1 86 LEU H . . 5.500 5.121 4.930 5.287 . 0 0 "[ . 1 . 2]" 1 524 1 27 VAL QG 1 86 LEU QD . . 3.760 2.342 1.978 3.062 . 0 0 "[ . 1 . 2]" 1 525 1 27 VAL QG 1 87 GLU H . . 4.230 4.011 3.435 4.296 0.066 12 0 "[ . 1 . 2]" 1 526 1 27 VAL QG 1 88 LYS H . . 3.780 3.573 3.306 3.801 0.021 11 0 "[ . 1 . 2]" 1 527 1 27 VAL QG 1 88 LYS HA . . 3.250 1.998 1.859 2.356 . 0 0 "[ . 1 . 2]" 1 528 1 27 VAL QG 1 88 LYS HB2 . . 4.580 4.044 3.823 4.239 . 0 0 "[ . 1 . 2]" 1 529 1 27 VAL QG 1 88 LYS HB3 . . 4.700 3.980 3.573 4.226 . 0 0 "[ . 1 . 2]" 1 530 1 27 VAL QG 1 88 LYS QD . . 4.190 3.625 2.152 4.146 . 0 0 "[ . 1 . 2]" 1 531 1 27 VAL QG 1 88 LYS QE . . 4.870 3.613 1.802 4.868 . 0 0 "[ . 1 . 2]" 1 532 1 27 VAL QG 1 88 LYS QG . . 3.300 2.432 2.159 2.854 . 0 0 "[ . 1 . 2]" 1 533 1 27 VAL QG 1 89 GLY H . . 5.200 3.952 2.706 4.855 . 0 0 "[ . 1 . 2]" 1 534 1 28 GLY H 1 29 GLN H . . 3.200 2.856 2.320 3.209 0.009 3 0 "[ . 1 . 2]" 1 535 1 28 GLY H 1 29 GLN HB3 . . 5.480 4.191 3.960 4.486 . 0 0 "[ . 1 . 2]" 1 536 1 28 GLY H 1 86 LEU HB2 . . 5.500 5.315 4.821 5.580 0.080 16 0 "[ . 1 . 2]" 1 537 1 28 GLY H 1 86 LEU HB3 . . 4.550 4.278 3.968 4.579 0.029 10 0 "[ . 1 . 2]" 1 538 1 28 GLY H 1 86 LEU QD . . 4.440 4.324 4.078 4.449 0.009 2 0 "[ . 1 . 2]" 1 539 1 28 GLY HA2 1 29 GLN H . . 3.570 2.973 2.532 3.439 . 0 0 "[ . 1 . 2]" 1 540 1 29 GLN H 1 29 GLN HB3 . . 3.260 3.243 2.982 3.344 0.084 6 0 "[ . 1 . 2]" 1 541 1 29 GLN H 1 29 GLN QE . . 5.150 4.953 4.576 5.033 . 0 0 "[ . 1 . 2]" 1 542 1 29 GLN H 1 29 GLN HG2 . . 3.830 2.900 2.421 3.263 . 0 0 "[ . 1 . 2]" 1 543 1 29 GLN H 1 29 GLN HG3 . . 3.550 3.126 2.521 3.609 0.059 7 0 "[ . 1 . 2]" 1 544 1 29 GLN H 1 30 ARG H . . 4.430 4.410 4.310 4.504 0.074 15 0 "[ . 1 . 2]" 1 545 1 29 GLN H 1 31 LEU QD . . 4.680 3.593 3.421 3.802 . 0 0 "[ . 1 . 2]" 1 546 1 29 GLN H 1 86 LEU HB2 . . 4.420 3.560 3.002 4.488 0.068 18 0 "[ . 1 . 2]" 1 547 1 29 GLN H 1 86 LEU HB3 . . 3.130 3.213 3.199 3.225 0.095 1 0 "[ . 1 . 2]" 1 548 1 29 GLN H 1 86 LEU QD . . 4.320 4.035 3.687 4.267 . 0 0 "[ . 1 . 2]" 1 549 1 29 GLN HA 1 29 GLN HG2 . . 4.040 3.931 3.766 4.035 . 0 0 "[ . 1 . 2]" 1 550 1 29 GLN HA 1 30 ARG QB . . 4.670 4.367 4.112 4.669 . 0 0 "[ . 1 . 2]" 1 551 1 29 GLN HB2 1 30 ARG H . . 3.250 2.206 2.040 2.441 . 0 0 "[ . 1 . 2]" 1 552 1 29 GLN HB2 1 30 ARG HG2 . . 4.640 4.070 3.283 5.175 0.535 12 1 "[ . 1 + . 2]" 1 553 1 29 GLN HB2 1 31 LEU QD . . 5.300 4.125 3.682 4.347 . 0 0 "[ . 1 . 2]" 1 554 1 29 GLN HB3 1 30 ARG H . . 5.030 3.684 3.554 3.851 . 0 0 "[ . 1 . 2]" 1 555 1 29 GLN HB3 1 31 LEU QD . . 5.500 4.518 4.255 4.620 . 0 0 "[ . 1 . 2]" 1 556 1 29 GLN QE 1 30 ARG H . . 5.270 4.478 3.364 4.847 . 0 0 "[ . 1 . 2]" 1 557 1 29 GLN QE 1 31 LEU HB2 . . 4.810 4.001 3.680 4.333 . 0 0 "[ . 1 . 2]" 1 558 1 29 GLN QE 1 31 LEU HB3 . . 4.480 2.622 2.308 2.975 . 0 0 "[ . 1 . 2]" 1 559 1 29 GLN QE 1 31 LEU QD . . 3.750 2.456 2.229 2.873 . 0 0 "[ . 1 . 2]" 1 560 1 29 GLN QE 1 31 LEU HG . . 4.780 3.591 2.567 4.670 . 0 0 "[ . 1 . 2]" 1 561 1 29 GLN HG2 1 30 ARG H . . 4.490 4.388 3.809 4.575 0.085 2 0 "[ . 1 . 2]" 1 562 1 29 GLN HG2 1 31 LEU QD . . 4.230 3.072 2.489 3.355 . 0 0 "[ . 1 . 2]" 1 563 1 29 GLN HG3 1 30 ARG H . . 3.590 3.227 2.462 3.580 . 0 0 "[ . 1 . 2]" 1 564 1 29 GLN HG3 1 31 LEU H . . 4.970 4.712 4.385 5.036 0.066 10 0 "[ . 1 . 2]" 1 565 1 29 GLN HG3 1 31 LEU QD . . 4.210 2.016 1.940 2.095 . 0 0 "[ . 1 . 2]" 1 566 1 29 GLN HG3 1 86 LEU QD . . 5.430 4.231 3.235 4.817 . 0 0 "[ . 1 . 2]" 1 567 1 30 ARG H 1 30 ARG QB . . 3.060 2.752 2.313 3.073 0.013 9 0 "[ . 1 . 2]" 1 568 1 30 ARG H 1 30 ARG QD . . 4.420 3.441 1.927 4.506 0.086 15 0 "[ . 1 . 2]" 1 569 1 30 ARG H 1 30 ARG HG2 . . 4.030 2.511 1.827 3.540 . 0 0 "[ . 1 . 2]" 1 570 1 30 ARG H 1 30 ARG HG3 . . 3.980 3.542 2.275 4.060 0.080 18 0 "[ . 1 . 2]" 1 571 1 30 ARG H 1 31 LEU H . . 4.590 4.570 4.396 4.654 0.064 6 0 "[ . 1 . 2]" 1 572 1 30 ARG H 1 31 LEU QD . . 4.690 3.878 3.434 4.159 . 0 0 "[ . 1 . 2]" 1 573 1 30 ARG H 1 85 GLU QG . . 5.430 3.814 3.369 4.265 . 0 0 "[ . 1 . 2]" 1 574 1 30 ARG H 1 86 LEU H . . 5.340 5.265 5.040 5.429 0.089 18 0 "[ . 1 . 2]" 1 575 1 30 ARG HA 1 30 ARG QD . . 5.000 4.113 3.579 4.582 . 0 0 "[ . 1 . 2]" 1 576 1 30 ARG HA 1 30 ARG HG2 . . 3.980 3.809 3.701 4.264 0.284 12 0 "[ . 1 . 2]" 1 577 1 30 ARG HA 1 31 LEU H . . 2.880 2.277 2.016 2.388 . 0 0 "[ . 1 . 2]" 1 578 1 30 ARG HA 1 31 LEU QD . . 4.060 2.875 2.461 3.127 . 0 0 "[ . 1 . 2]" 1 579 1 30 ARG HA 1 84 GLY H . . 5.220 4.443 4.045 4.746 . 0 0 "[ . 1 . 2]" 1 580 1 30 ARG HA 1 85 GLU H . . 4.690 4.608 4.479 4.755 0.065 11 0 "[ . 1 . 2]" 1 581 1 30 ARG HA 1 85 GLU HA . . 5.140 2.076 1.957 2.327 . 0 0 "[ . 1 . 2]" 1 582 1 30 ARG HA 1 85 GLU QG . . 3.960 2.419 1.941 3.194 . 0 0 "[ . 1 . 2]" 1 583 1 30 ARG HA 1 86 LEU H . . 4.260 3.675 3.397 4.043 . 0 0 "[ . 1 . 2]" 1 584 1 30 ARG QB 1 31 LEU H . . 5.220 2.926 2.632 3.219 . 0 0 "[ . 1 . 2]" 1 585 1 30 ARG QD 1 31 LEU H . . 5.030 4.936 2.990 5.121 0.091 11 0 "[ . 1 . 2]" 1 586 1 30 ARG HG2 1 31 LEU H . . 5.060 4.696 4.053 5.128 0.068 19 0 "[ . 1 . 2]" 1 587 1 30 ARG HG3 1 31 LEU H . . 5.000 4.267 3.368 5.059 0.059 11 0 "[ . 1 . 2]" 1 588 1 31 LEU H 1 31 LEU HB2 . . 3.860 3.928 3.792 3.950 0.090 8 0 "[ . 1 . 2]" 1 589 1 31 LEU H 1 31 LEU HB3 . . 3.680 3.659 3.481 3.740 0.060 6 0 "[ . 1 . 2]" 1 590 1 31 LEU H 1 31 LEU QD . . 3.650 2.448 2.150 2.843 . 0 0 "[ . 1 . 2]" 1 591 1 31 LEU H 1 31 LEU HG . . 4.770 4.170 2.117 4.622 . 0 0 "[ . 1 . 2]" 1 592 1 31 LEU H 1 32 ARG H . . 4.290 4.318 4.249 4.366 0.076 2 0 "[ . 1 . 2]" 1 593 1 31 LEU H 1 83 GLN HA . . 4.790 4.480 4.231 4.697 . 0 0 "[ . 1 . 2]" 1 594 1 31 LEU H 1 84 GLY H . . 4.210 2.936 2.771 3.283 . 0 0 "[ . 1 . 2]" 1 595 1 31 LEU H 1 85 GLU H . . 5.040 4.635 4.374 4.863 . 0 0 "[ . 1 . 2]" 1 596 1 31 LEU H 1 85 GLU HA . . 3.620 3.029 2.781 3.216 . 0 0 "[ . 1 . 2]" 1 597 1 31 LEU H 1 85 GLU QG . . 4.460 4.177 3.595 4.566 0.106 11 0 "[ . 1 . 2]" 1 598 1 31 LEU H 1 86 LEU H . . 4.680 4.642 4.209 4.766 0.086 2 0 "[ . 1 . 2]" 1 599 1 31 LEU HA 1 31 LEU QD . . 4.000 3.265 3.198 3.410 . 0 0 "[ . 1 . 2]" 1 600 1 31 LEU HA 1 31 LEU HG . . 4.200 4.148 3.571 4.266 0.066 7 0 "[ . 1 . 2]" 1 601 1 31 LEU HA 1 32 ARG H . . 3.130 2.501 2.351 2.749 . 0 0 "[ . 1 . 2]" 1 602 1 31 LEU HA 1 32 ARG QB . . 5.100 4.210 3.717 4.788 . 0 0 "[ . 1 . 2]" 1 603 1 31 LEU HB2 1 32 ARG H . . 3.060 2.102 1.853 2.402 . 0 0 "[ . 1 . 2]" 1 604 1 31 LEU HB3 1 32 ARG H . . 4.400 3.422 3.292 3.608 . 0 0 "[ . 1 . 2]" 1 605 1 31 LEU QD 1 32 ARG H . . 4.050 3.298 2.895 3.636 . 0 0 "[ . 1 . 2]" 1 606 1 31 LEU QD 1 32 ARG HA . . 4.420 3.665 3.125 4.190 . 0 0 "[ . 1 . 2]" 1 607 1 31 LEU QD 1 33 VAL QG . . 3.030 2.177 1.991 2.783 . 0 0 "[ . 1 . 2]" 1 608 1 31 LEU QD 1 83 GLN HA . . 5.500 4.092 3.808 4.409 . 0 0 "[ . 1 . 2]" 1 609 1 31 LEU QD 1 84 GLY H . . 4.380 3.667 3.390 4.080 . 0 0 "[ . 1 . 2]" 1 610 1 31 LEU QD 1 85 GLU HA . . 4.010 2.736 2.565 3.092 . 0 0 "[ . 1 . 2]" 1 611 1 31 LEU QD 1 86 LEU H . . 4.040 2.612 2.174 2.760 . 0 0 "[ . 1 . 2]" 1 612 1 31 LEU QD 1 86 LEU HA . . 4.910 3.177 2.889 3.373 . 0 0 "[ . 1 . 2]" 1 613 1 31 LEU QD 1 86 LEU HB2 . . 3.660 1.953 1.873 2.039 . 0 0 "[ . 1 . 2]" 1 614 1 31 LEU QD 1 86 LEU HB3 . . 3.380 3.225 2.666 3.393 0.013 10 0 "[ . 1 . 2]" 1 615 1 31 LEU QD 1 86 LEU QD . . 3.610 2.342 2.046 2.878 . 0 0 "[ . 1 . 2]" 1 616 1 31 LEU QD 1 86 LEU HG . . 4.250 3.034 2.133 4.236 . 0 0 "[ . 1 . 2]" 1 617 1 31 LEU QD 1 87 GLU H . . 5.460 4.805 4.597 4.915 . 0 0 "[ . 1 . 2]" 1 618 1 31 LEU HG 1 32 ARG H . . 5.500 4.295 3.969 4.617 . 0 0 "[ . 1 . 2]" 1 619 1 31 LEU HG 1 86 LEU H . . 5.470 5.318 3.960 5.557 0.087 13 0 "[ . 1 . 2]" 1 620 1 32 ARG H 1 32 ARG QD . . 5.170 4.690 4.316 5.238 0.068 2 0 "[ . 1 . 2]" 1 621 1 32 ARG H 1 32 ARG QG . . 5.030 3.437 2.339 4.144 . 0 0 "[ . 1 . 2]" 1 622 1 32 ARG H 1 33 VAL H . . 4.510 4.391 4.095 4.513 0.003 10 0 "[ . 1 . 2]" 1 623 1 32 ARG H 1 33 VAL QG . . 4.990 4.177 3.725 4.556 . 0 0 "[ . 1 . 2]" 1 624 1 32 ARG HA 1 32 ARG QD . . 4.720 4.051 3.764 4.334 . 0 0 "[ . 1 . 2]" 1 625 1 32 ARG HA 1 32 ARG QG . . 3.700 2.553 2.148 3.338 . 0 0 "[ . 1 . 2]" 1 626 1 32 ARG HA 1 33 VAL H . . 3.240 2.259 2.177 2.401 . 0 0 "[ . 1 . 2]" 1 627 1 32 ARG HA 1 33 VAL HA . . 5.460 4.474 4.361 4.540 . 0 0 "[ . 1 . 2]" 1 628 1 32 ARG HA 1 33 VAL HB . . 4.510 4.338 3.800 4.595 0.085 7 0 "[ . 1 . 2]" 1 629 1 32 ARG HA 1 33 VAL QG . . 4.290 3.651 3.157 4.052 . 0 0 "[ . 1 . 2]" 1 630 1 32 ARG HA 1 82 VAL QG . . 4.650 3.751 3.257 4.205 . 0 0 "[ . 1 . 2]" 1 631 1 32 ARG HA 1 83 GLN H . . 5.000 4.476 4.241 4.674 . 0 0 "[ . 1 . 2]" 1 632 1 32 ARG HA 1 83 GLN HA . . 4.460 2.112 1.954 2.293 . 0 0 "[ . 1 . 2]" 1 633 1 32 ARG HA 1 83 GLN HB2 . . 5.500 3.180 2.219 4.049 . 0 0 "[ . 1 . 2]" 1 634 1 32 ARG HA 1 83 GLN QG . . 4.660 3.462 2.847 3.852 . 0 0 "[ . 1 . 2]" 1 635 1 32 ARG HA 1 84 GLY H . . 3.920 3.727 3.440 3.979 0.059 19 0 "[ . 1 . 2]" 1 636 1 32 ARG QB 1 33 VAL H . . 5.370 3.193 2.523 4.032 . 0 0 "[ . 1 . 2]" 1 637 1 32 ARG QB 1 83 GLN HA . . 5.310 3.682 2.347 4.325 . 0 0 "[ . 1 . 2]" 1 638 1 32 ARG QB 1 83 GLN HB2 . . 5.340 3.301 2.089 4.157 . 0 0 "[ . 1 . 2]" 1 639 1 32 ARG QB 1 83 GLN HE21 . . 4.970 4.634 3.699 4.898 . 0 0 "[ . 1 . 2]" 1 640 1 32 ARG QB 1 83 GLN QG . . 5.210 3.723 2.748 4.720 . 0 0 "[ . 1 . 2]" 1 641 1 32 ARG QD 1 33 VAL H . . 5.480 4.844 4.389 5.338 . 0 0 "[ . 1 . 2]" 1 642 1 32 ARG QD 1 81 VAL QG . . 4.150 3.126 2.285 4.136 . 0 0 "[ . 1 . 2]" 1 643 1 32 ARG QD 1 83 GLN HE21 . . 4.470 4.104 2.904 4.550 0.080 8 0 "[ . 1 . 2]" 1 644 1 32 ARG QD 1 83 GLN HE22 . . 4.560 3.401 2.725 3.982 . 0 0 "[ . 1 . 2]" 1 645 1 32 ARG QD 1 83 GLN QG . . 5.140 4.108 3.155 4.713 . 0 0 "[ . 1 . 2]" 1 646 1 32 ARG QG 1 33 VAL H . . 5.080 3.452 2.454 4.488 . 0 0 "[ . 1 . 2]" 1 647 1 32 ARG QG 1 81 VAL QG . . 4.990 3.108 2.146 4.533 . 0 0 "[ . 1 . 2]" 1 648 1 32 ARG QG 1 83 GLN HA . . 4.220 3.400 2.685 4.128 . 0 0 "[ . 1 . 2]" 1 649 1 32 ARG QG 1 83 GLN HE21 . . 5.500 3.950 2.580 5.328 . 0 0 "[ . 1 . 2]" 1 650 1 32 ARG QG 1 83 GLN QG . . 4.880 3.269 2.543 4.068 . 0 0 "[ . 1 . 2]" 1 651 1 32 ARG QG 1 84 GLY H . . 5.500 4.792 4.048 5.353 . 0 0 "[ . 1 . 2]" 1 652 1 33 VAL H 1 33 VAL HB . . 3.880 2.631 2.049 3.355 . 0 0 "[ . 1 . 2]" 1 653 1 33 VAL H 1 33 VAL QG . . 3.800 2.850 2.525 3.079 . 0 0 "[ . 1 . 2]" 1 654 1 33 VAL H 1 34 GLY H . . 4.900 4.383 4.243 4.691 . 0 0 "[ . 1 . 2]" 1 655 1 33 VAL H 1 81 VAL HA . . 5.200 4.501 4.291 4.938 . 0 0 "[ . 1 . 2]" 1 656 1 33 VAL H 1 82 VAL H . . 3.720 3.042 2.533 3.758 0.038 2 0 "[ . 1 . 2]" 1 657 1 33 VAL H 1 82 VAL HB . . 4.830 3.822 3.278 4.852 0.022 13 0 "[ . 1 . 2]" 1 658 1 33 VAL H 1 82 VAL QG . . 3.660 3.023 2.114 3.401 . 0 0 "[ . 1 . 2]" 1 659 1 33 VAL H 1 83 GLN HA . . 4.120 3.471 3.006 3.787 . 0 0 "[ . 1 . 2]" 1 660 1 33 VAL H 1 92 ILE MD . . 5.050 5.123 4.686 5.165 0.115 9 0 "[ . 1 . 2]" 1 661 1 33 VAL H 1 92 ILE MG . . 4.700 4.299 3.919 4.651 . 0 0 "[ . 1 . 2]" 1 662 1 33 VAL HA 1 34 GLY H . . 3.050 2.323 2.022 2.538 . 0 0 "[ . 1 . 2]" 1 663 1 33 VAL HA 1 82 VAL QG . . 5.350 4.727 3.998 5.193 . 0 0 "[ . 1 . 2]" 1 664 1 33 VAL HB 1 34 GLY H . . 4.610 4.121 3.447 4.326 . 0 0 "[ . 1 . 2]" 1 665 1 33 VAL HB 1 82 VAL H . . 4.790 3.625 3.069 4.901 0.111 7 0 "[ . 1 . 2]" 1 666 1 33 VAL HB 1 82 VAL HB . . 5.500 3.298 2.385 5.227 . 0 0 "[ . 1 . 2]" 1 667 1 33 VAL HB 1 82 VAL QG . . 3.450 2.743 1.886 3.567 0.117 9 0 "[ . 1 . 2]" 1 668 1 33 VAL HB 1 92 ILE MD . . 3.930 3.871 3.572 4.019 0.089 20 0 "[ . 1 . 2]" 1 669 1 33 VAL HB 1 92 ILE MG . . 4.680 3.631 3.017 4.776 0.096 1 0 "[ . 1 . 2]" 1 670 1 33 VAL QG 1 34 GLY H . . 3.870 2.474 1.914 2.822 . 0 0 "[ . 1 . 2]" 1 671 1 33 VAL QG 1 34 GLY HA2 . . 4.890 3.304 2.680 3.778 . 0 0 "[ . 1 . 2]" 1 672 1 33 VAL QG 1 35 GLY H . . 5.500 3.967 3.676 4.386 . 0 0 "[ . 1 . 2]" 1 673 1 33 VAL QG 1 82 VAL H . . 4.060 3.517 2.776 3.925 . 0 0 "[ . 1 . 2]" 1 674 1 33 VAL QG 1 82 VAL HB . . 4.200 3.399 2.439 4.041 . 0 0 "[ . 1 . 2]" 1 675 1 33 VAL QG 1 92 ILE QG . . 3.890 2.205 2.022 2.462 . 0 0 "[ . 1 . 2]" 1 676 1 34 GLY H 1 35 GLY H . . 4.380 4.358 4.259 4.453 0.073 8 0 "[ . 1 . 2]" 1 677 1 34 GLY H 1 81 VAL HA . . 4.690 4.596 4.077 4.770 0.080 17 0 "[ . 1 . 2]" 1 678 1 34 GLY H 1 81 VAL QG . . 4.520 4.106 3.397 4.381 . 0 0 "[ . 1 . 2]" 1 679 1 34 GLY H 1 82 VAL H . . 5.500 4.759 4.326 5.025 . 0 0 "[ . 1 . 2]" 1 680 1 34 GLY HA2 1 35 GLY H . . 3.230 2.237 2.123 2.343 . 0 0 "[ . 1 . 2]" 1 681 1 34 GLY HA2 1 80 VAL H . . 5.380 4.578 4.076 5.163 . 0 0 "[ . 1 . 2]" 1 682 1 34 GLY HA2 1 81 VAL HA . . 4.770 2.161 1.906 2.355 . 0 0 "[ . 1 . 2]" 1 683 1 34 GLY HA2 1 81 VAL QG . . 3.940 2.744 2.390 3.089 . 0 0 "[ . 1 . 2]" 1 684 1 34 GLY HA2 1 82 VAL H . . 4.220 3.234 2.869 3.540 . 0 0 "[ . 1 . 2]" 1 685 1 34 GLY HA3 1 81 VAL HA . . 4.690 3.383 2.779 3.767 . 0 0 "[ . 1 . 2]" 1 686 1 34 GLY HA3 1 81 VAL QG . . 3.840 2.698 2.298 3.117 . 0 0 "[ . 1 . 2]" 1 687 1 34 GLY HA3 1 82 VAL H . . 4.860 4.695 4.161 4.938 0.078 15 0 "[ . 1 . 2]" 1 688 1 35 GLY H 1 55 ILE HB . . 4.970 4.637 4.109 5.048 0.078 19 0 "[ . 1 . 2]" 1 689 1 35 GLY H 1 55 ILE MD . . 3.950 3.785 3.354 4.036 0.086 18 0 "[ . 1 . 2]" 1 690 1 35 GLY H 1 55 ILE MG . . 3.630 3.432 2.855 3.711 0.081 18 0 "[ . 1 . 2]" 1 691 1 35 GLY H 1 79 GLY HA3 . . 5.160 5.066 4.664 5.226 0.066 6 0 "[ . 1 . 2]" 1 692 1 35 GLY H 1 80 VAL H . . 3.610 2.958 2.626 3.561 . 0 0 "[ . 1 . 2]" 1 693 1 35 GLY H 1 80 VAL QG . . 3.750 3.238 2.882 3.756 0.006 19 0 "[ . 1 . 2]" 1 694 1 35 GLY H 1 81 VAL HA . . 3.990 3.703 3.138 4.053 0.063 18 0 "[ . 1 . 2]" 1 695 1 35 GLY H 1 81 VAL QG . . 4.020 3.956 3.734 4.053 0.033 18 0 "[ . 1 . 2]" 1 696 1 35 GLY H 1 82 VAL H . . 4.750 4.808 4.733 4.840 0.090 7 0 "[ . 1 . 2]" 1 697 1 35 GLY HA2 1 36 MET H . . 3.460 2.593 2.333 2.802 . 0 0 "[ . 1 . 2]" 1 698 1 35 GLY HA2 1 55 ILE MD . . 5.330 4.807 4.296 5.211 . 0 0 "[ . 1 . 2]" 1 699 1 35 GLY HA2 1 55 ILE MG . . 4.230 4.053 3.596 4.322 0.092 2 0 "[ . 1 . 2]" 1 700 1 35 GLY HA2 1 56 TYR H . . 5.500 4.945 4.424 5.413 . 0 0 "[ . 1 . 2]" 1 701 1 35 GLY HA2 1 80 VAL H . . 5.500 4.688 4.328 5.160 . 0 0 "[ . 1 . 2]" 1 702 1 35 GLY HA3 1 36 MET H . . 3.460 2.614 2.455 2.772 . 0 0 "[ . 1 . 2]" 1 703 1 35 GLY HA3 1 55 ILE HB . . 4.000 2.838 2.328 3.640 . 0 0 "[ . 1 . 2]" 1 704 1 35 GLY HA3 1 55 ILE MD . . 4.670 3.381 2.783 3.834 . 0 0 "[ . 1 . 2]" 1 705 1 35 GLY HA3 1 55 ILE MG . . 3.580 2.954 2.410 3.396 . 0 0 "[ . 1 . 2]" 1 706 1 35 GLY HA3 1 56 TYR H . . 5.060 4.025 3.577 4.319 . 0 0 "[ . 1 . 2]" 1 707 1 36 MET H 1 36 MET QB . . 3.200 2.308 2.106 2.506 . 0 0 "[ . 1 . 2]" 1 708 1 36 MET H 1 36 MET ME . . 5.040 4.189 3.340 4.469 . 0 0 "[ . 1 . 2]" 1 709 1 36 MET H 1 36 MET QG . . 4.260 3.984 3.942 4.057 . 0 0 "[ . 1 . 2]" 1 710 1 36 MET H 1 55 ILE HA . . 5.500 4.328 3.921 4.776 . 0 0 "[ . 1 . 2]" 1 711 1 36 MET H 1 55 ILE HB . . 5.500 4.003 3.403 4.789 . 0 0 "[ . 1 . 2]" 1 712 1 36 MET H 1 55 ILE MG . . 3.900 3.100 2.504 3.480 . 0 0 "[ . 1 . 2]" 1 713 1 36 MET H 1 56 TYR H . . 3.570 2.821 2.443 3.204 . 0 0 "[ . 1 . 2]" 1 714 1 36 MET H 1 56 TYR QD . . 4.580 4.449 4.248 4.595 0.015 19 0 "[ . 1 . 2]" 1 715 1 36 MET H 1 80 VAL H . . 5.020 4.937 4.765 5.101 0.081 18 0 "[ . 1 . 2]" 1 716 1 36 MET HA 1 37 VAL QG . . 4.260 3.593 3.454 3.791 . 0 0 "[ . 1 . 2]" 1 717 1 36 MET HA 1 56 TYR H . . 5.500 4.572 4.371 4.782 . 0 0 "[ . 1 . 2]" 1 718 1 36 MET HA 1 79 GLY H . . 4.680 4.310 4.071 4.700 0.020 9 0 "[ . 1 . 2]" 1 719 1 36 MET HA 1 79 GLY HA2 . . 4.740 2.251 1.979 2.521 . 0 0 "[ . 1 . 2]" 1 720 1 36 MET HA 1 80 VAL H . . 4.270 3.327 2.876 3.725 . 0 0 "[ . 1 . 2]" 1 721 1 36 MET QB 1 36 MET ME . . 3.790 2.055 1.990 2.123 . 0 0 "[ . 1 . 2]" 1 722 1 36 MET QB 1 37 VAL H . . 3.800 3.847 3.751 3.888 0.088 9 0 "[ . 1 . 2]" 1 723 1 36 MET QB 1 37 VAL QG . . 5.390 4.744 4.405 4.826 . 0 0 "[ . 1 . 2]" 1 724 1 36 MET QB 1 56 TYR H . . 3.780 3.387 3.194 3.613 . 0 0 "[ . 1 . 2]" 1 725 1 36 MET QB 1 56 TYR HA . . 5.500 5.289 5.044 5.532 0.032 6 0 "[ . 1 . 2]" 1 726 1 36 MET QB 1 56 TYR QD . . 3.740 3.591 3.226 3.775 0.035 6 0 "[ . 1 . 2]" 1 727 1 36 MET QB 1 56 TYR QE . . 5.090 3.054 2.801 3.342 . 0 0 "[ . 1 . 2]" 1 728 1 36 MET QB 1 57 ASP H . . 5.500 5.057 4.566 5.329 . 0 0 "[ . 1 . 2]" 1 729 1 36 MET QB 1 80 VAL H . . 5.500 5.021 4.794 5.459 . 0 0 "[ . 1 . 2]" 1 730 1 36 MET ME 1 37 VAL H . . 5.430 5.138 4.797 5.455 0.025 16 0 "[ . 1 . 2]" 1 731 1 36 MET ME 1 56 TYR QD . . 5.500 5.427 4.934 5.603 0.103 11 0 "[ . 1 . 2]" 1 732 1 36 MET ME 1 56 TYR QE . . 4.800 4.428 3.965 4.672 . 0 0 "[ . 1 . 2]" 1 733 1 36 MET ME 1 57 ASP HA . . 4.540 4.335 3.601 4.639 0.099 10 0 "[ . 1 . 2]" 1 734 1 36 MET ME 1 78 GLN HA . . 4.570 3.846 2.798 4.653 0.083 13 0 "[ . 1 . 2]" 1 735 1 36 MET ME 1 79 GLY H . . 4.140 3.890 3.216 4.230 0.090 10 0 "[ . 1 . 2]" 1 736 1 36 MET ME 1 79 GLY HA2 . . 5.220 3.705 3.348 3.858 . 0 0 "[ . 1 . 2]" 1 737 1 36 MET ME 1 80 VAL H . . 5.500 5.522 5.221 5.603 0.103 12 0 "[ . 1 . 2]" 1 738 1 36 MET QG 1 37 VAL H . . 4.160 2.927 2.716 3.392 . 0 0 "[ . 1 . 2]" 1 739 1 36 MET QG 1 55 ILE MG . . 5.040 4.490 4.359 4.820 . 0 0 "[ . 1 . 2]" 1 740 1 36 MET QG 1 56 TYR H . . 5.500 4.779 4.473 5.042 . 0 0 "[ . 1 . 2]" 1 741 1 36 MET QG 1 56 TYR QD . . 4.820 4.447 4.071 4.887 0.067 8 0 "[ . 1 . 2]" 1 742 1 36 MET QG 1 56 TYR QE . . 4.010 2.916 2.475 3.407 . 0 0 "[ . 1 . 2]" 1 743 1 36 MET QG 1 77 GLY H . . 5.500 3.995 3.540 4.419 . 0 0 "[ . 1 . 2]" 1 744 1 36 MET QG 1 78 GLN H . . 5.500 3.463 2.889 4.162 . 0 0 "[ . 1 . 2]" 1 745 1 36 MET QG 1 79 GLY HA2 . . 4.810 3.302 2.591 4.232 . 0 0 "[ . 1 . 2]" 1 746 1 37 VAL H 1 37 VAL HB . . 3.390 2.493 2.258 2.981 . 0 0 "[ . 1 . 2]" 1 747 1 37 VAL H 1 37 VAL QG . . 3.140 1.978 1.824 2.148 . 0 0 "[ . 1 . 2]" 1 748 1 37 VAL H 1 38 MET H . . 5.030 4.609 4.501 4.660 . 0 0 "[ . 1 . 2]" 1 749 1 37 VAL H 1 53 PHE QD . . 5.460 5.458 4.941 5.559 0.099 15 0 "[ . 1 . 2]" 1 750 1 37 VAL H 1 55 ILE HA . . 5.390 4.404 4.237 4.533 . 0 0 "[ . 1 . 2]" 1 751 1 37 VAL H 1 55 ILE MG . . 4.120 3.015 2.801 3.163 . 0 0 "[ . 1 . 2]" 1 752 1 37 VAL H 1 56 TYR QE . . 4.620 4.558 4.344 4.695 0.075 17 0 "[ . 1 . 2]" 1 753 1 37 VAL H 1 74 PHE QE . . 5.500 5.529 5.364 5.586 0.086 9 0 "[ . 1 . 2]" 1 754 1 37 VAL H 1 76 GLU HA . . 5.050 5.019 4.567 5.136 0.086 6 0 "[ . 1 . 2]" 1 755 1 37 VAL H 1 77 GLY H . . 4.600 3.613 3.409 3.905 . 0 0 "[ . 1 . 2]" 1 756 1 37 VAL H 1 78 GLN H . . 3.980 3.162 2.493 3.738 . 0 0 "[ . 1 . 2]" 1 757 1 37 VAL H 1 79 GLY H . . 5.410 5.123 4.888 5.386 . 0 0 "[ . 1 . 2]" 1 758 1 37 VAL H 1 79 GLY HA2 . . 4.760 3.847 3.333 4.116 . 0 0 "[ . 1 . 2]" 1 759 1 37 VAL H 1 80 VAL H . . 4.810 4.132 3.465 4.569 . 0 0 "[ . 1 . 2]" 1 760 1 37 VAL H 1 80 VAL QG . . 4.820 2.996 2.504 3.784 . 0 0 "[ . 1 . 2]" 1 761 1 37 VAL HA 1 38 MET H . . 3.250 2.239 2.105 2.293 . 0 0 "[ . 1 . 2]" 1 762 1 37 VAL HA 1 55 ILE HA . . 4.550 2.288 2.069 2.498 . 0 0 "[ . 1 . 2]" 1 763 1 37 VAL HA 1 55 ILE MD . . 5.500 4.922 4.534 5.170 . 0 0 "[ . 1 . 2]" 1 764 1 37 VAL HA 1 55 ILE QG . . 4.330 4.001 3.174 4.250 . 0 0 "[ . 1 . 2]" 1 765 1 37 VAL HA 1 55 ILE MG . . 3.730 2.161 2.073 2.245 . 0 0 "[ . 1 . 2]" 1 766 1 37 VAL HA 1 56 TYR H . . 4.770 3.887 3.664 4.057 . 0 0 "[ . 1 . 2]" 1 767 1 37 VAL HB 1 76 GLU HA . . 4.020 3.061 2.502 4.107 0.087 20 0 "[ . 1 . 2]" 1 768 1 37 VAL HB 1 77 GLY H . . 3.740 2.553 1.701 3.843 0.103 20 0 "[ . 1 . 2]" 1 769 1 37 VAL HB 1 78 GLN H . . 3.940 3.168 2.644 4.057 0.117 14 0 "[ . 1 . 2]" 1 770 1 37 VAL QG 1 38 MET H . . 3.770 2.829 2.478 2.968 . 0 0 "[ . 1 . 2]" 1 771 1 37 VAL QG 1 38 MET HB2 . . 5.500 4.001 3.450 4.389 . 0 0 "[ . 1 . 2]" 1 772 1 37 VAL QG 1 41 SER H . . 5.070 4.092 3.453 4.658 . 0 0 "[ . 1 . 2]" 1 773 1 37 VAL QG 1 41 SER HB2 . . 5.500 4.307 3.430 4.846 . 0 0 "[ . 1 . 2]" 1 774 1 37 VAL QG 1 41 SER HG . . 5.370 3.617 2.478 5.370 0.000 15 0 "[ . 1 . 2]" 1 775 1 37 VAL QG 1 42 VAL H . . 4.600 3.654 3.203 3.892 . 0 0 "[ . 1 . 2]" 1 776 1 37 VAL QG 1 42 VAL QG . . 3.470 2.319 1.919 2.921 . 0 0 "[ . 1 . 2]" 1 777 1 37 VAL QG 1 53 PHE HB2 . . 4.610 2.607 2.382 2.842 . 0 0 "[ . 1 . 2]" 1 778 1 37 VAL QG 1 53 PHE HB3 . . 4.440 3.653 3.338 3.882 . 0 0 "[ . 1 . 2]" 1 779 1 37 VAL QG 1 53 PHE QD . . 3.730 2.432 2.173 2.799 . 0 0 "[ . 1 . 2]" 1 780 1 37 VAL QG 1 53 PHE QE . . 4.500 2.908 2.300 3.908 . 0 0 "[ . 1 . 2]" 1 781 1 37 VAL QG 1 54 THR H . . 4.640 3.362 3.072 3.620 . 0 0 "[ . 1 . 2]" 1 782 1 37 VAL QG 1 55 ILE HA . . 4.750 3.717 3.445 4.051 . 0 0 "[ . 1 . 2]" 1 783 1 37 VAL QG 1 56 TYR QD . . 5.090 4.761 4.661 4.846 . 0 0 "[ . 1 . 2]" 1 784 1 37 VAL QG 1 56 TYR QE . . 5.180 4.544 4.113 4.702 . 0 0 "[ . 1 . 2]" 1 785 1 37 VAL QG 1 74 PHE QD . . 4.060 3.514 3.283 3.864 . 0 0 "[ . 1 . 2]" 1 786 1 37 VAL QG 1 74 PHE QE . . 3.740 2.442 2.208 2.814 . 0 0 "[ . 1 . 2]" 1 787 1 37 VAL QG 1 74 PHE HZ . . 3.830 2.277 2.140 2.669 . 0 0 "[ . 1 . 2]" 1 788 1 37 VAL QG 1 75 ARG H . . 4.580 3.658 3.136 3.936 . 0 0 "[ . 1 . 2]" 1 789 1 37 VAL QG 1 76 GLU H . . 4.820 4.127 3.714 4.530 . 0 0 "[ . 1 . 2]" 1 790 1 37 VAL QG 1 76 GLU HA . . 3.670 2.179 1.798 2.470 . 0 0 "[ . 1 . 2]" 1 791 1 37 VAL QG 1 76 GLU HG2 . . 4.170 3.340 2.276 4.282 0.112 14 0 "[ . 1 . 2]" 1 792 1 37 VAL QG 1 76 GLU HG3 . . 4.410 3.229 2.649 4.087 . 0 0 "[ . 1 . 2]" 1 793 1 37 VAL QG 1 77 GLY H . . 3.940 2.577 1.491 3.183 . 0 0 "[ . 1 . 2]" 1 794 1 37 VAL QG 1 78 GLN H . . 3.970 2.985 1.558 3.722 . 0 0 "[ . 1 . 2]" 1 795 1 37 VAL QG 1 79 GLY H . . 5.500 5.143 4.609 5.427 . 0 0 "[ . 1 . 2]" 1 796 1 37 VAL QG 1 79 GLY HA2 . . 4.740 4.342 3.852 4.641 . 0 0 "[ . 1 . 2]" 1 797 1 37 VAL QG 1 80 VAL H . . 5.110 3.842 3.129 4.516 . 0 0 "[ . 1 . 2]" 1 798 1 37 VAL QG 1 80 VAL HB . . 4.530 3.904 2.518 4.464 . 0 0 "[ . 1 . 2]" 1 799 1 37 VAL QG 1 80 VAL QG . . 3.180 1.914 1.748 2.156 . 0 0 "[ . 1 . 2]" 1 800 1 38 MET H 1 38 MET HB2 . . 3.960 2.219 2.056 2.360 . 0 0 "[ . 1 . 2]" 1 801 1 38 MET H 1 38 MET HB3 . . 3.810 3.399 2.923 3.605 . 0 0 "[ . 1 . 2]" 1 802 1 38 MET H 1 38 MET ME . . 4.440 4.439 4.097 4.541 0.101 17 0 "[ . 1 . 2]" 1 803 1 38 MET H 1 38 MET HG2 . . 4.860 3.935 3.578 4.474 . 0 0 "[ . 1 . 2]" 1 804 1 38 MET H 1 38 MET HG3 . . 3.780 3.026 2.538 3.861 0.081 19 0 "[ . 1 . 2]" 1 805 1 38 MET H 1 39 PRO HD2 . . 5.500 4.915 4.705 5.323 . 0 0 "[ . 1 . 2]" 1 806 1 38 MET H 1 41 SER HB2 . . 5.430 4.579 3.733 5.042 . 0 0 "[ . 1 . 2]" 1 807 1 38 MET H 1 41 SER HG . . 5.330 3.726 2.465 5.383 0.053 14 0 "[ . 1 . 2]" 1 808 1 38 MET H 1 53 PHE QD . . 5.000 4.204 3.754 4.480 . 0 0 "[ . 1 . 2]" 1 809 1 38 MET H 1 54 THR H . . 4.880 3.740 3.517 4.041 . 0 0 "[ . 1 . 2]" 1 810 1 38 MET H 1 54 THR HB . . 4.540 3.694 3.097 4.212 . 0 0 "[ . 1 . 2]" 1 811 1 38 MET H 1 54 THR MG . . 4.610 4.154 3.793 4.420 . 0 0 "[ . 1 . 2]" 1 812 1 38 MET H 1 55 ILE HA . . 4.070 2.741 2.397 3.074 . 0 0 "[ . 1 . 2]" 1 813 1 38 MET H 1 55 ILE MG . . 4.370 3.764 3.499 3.987 . 0 0 "[ . 1 . 2]" 1 814 1 38 MET H 1 56 TYR H . . 4.730 4.083 3.742 4.399 . 0 0 "[ . 1 . 2]" 1 815 1 38 MET H 1 56 TYR QD . . 4.190 3.004 2.822 3.185 . 0 0 "[ . 1 . 2]" 1 816 1 38 MET H 1 56 TYR QE . . 4.450 3.811 3.518 4.146 . 0 0 "[ . 1 . 2]" 1 817 1 38 MET HA 1 38 MET ME . . 5.080 4.376 4.077 4.555 . 0 0 "[ . 1 . 2]" 1 818 1 38 MET HA 1 38 MET HG3 . . 3.500 2.813 2.337 3.114 . 0 0 "[ . 1 . 2]" 1 819 1 38 MET HA 1 39 PRO HD2 . . 3.710 2.305 2.084 2.787 . 0 0 "[ . 1 . 2]" 1 820 1 38 MET HA 1 39 PRO HD3 . . 3.710 2.209 2.064 2.329 . 0 0 "[ . 1 . 2]" 1 821 1 38 MET HA 1 39 PRO HG2 . . 4.700 4.419 4.269 4.642 . 0 0 "[ . 1 . 2]" 1 822 1 38 MET HA 1 39 PRO HG3 . . 4.200 4.288 4.250 4.294 0.094 13 0 "[ . 1 . 2]" 1 823 1 38 MET HA 1 56 TYR QD . . 3.870 2.909 2.448 3.235 . 0 0 "[ . 1 . 2]" 1 824 1 38 MET HA 1 56 TYR QE . . 3.460 2.311 2.120 2.537 . 0 0 "[ . 1 . 2]" 1 825 1 38 MET HB2 1 54 THR HB . . 5.500 2.532 2.162 3.064 . 0 0 "[ . 1 . 2]" 1 826 1 38 MET HB2 1 55 ILE HA . . 5.400 4.304 3.351 4.907 . 0 0 "[ . 1 . 2]" 1 827 1 38 MET HB2 1 56 TYR QD . . 4.070 3.676 2.668 4.132 0.062 20 0 "[ . 1 . 2]" 1 828 1 38 MET HB3 1 41 SER H . . 4.600 4.033 3.339 4.679 0.079 5 0 "[ . 1 . 2]" 1 829 1 38 MET HB3 1 41 SER HG . . 5.000 2.981 2.131 3.676 . 0 0 "[ . 1 . 2]" 1 830 1 38 MET HB3 1 54 THR H . . 5.320 4.881 3.762 5.380 0.060 20 0 "[ . 1 . 2]" 1 831 1 38 MET HB3 1 54 THR HB . . 5.500 3.598 2.561 4.334 . 0 0 "[ . 1 . 2]" 1 832 1 38 MET HB3 1 54 THR MG . . 4.770 4.410 3.535 4.826 0.056 3 0 "[ . 1 . 2]" 1 833 1 38 MET ME 1 38 MET HG3 . . 3.760 2.318 2.221 2.429 . 0 0 "[ . 1 . 2]" 1 834 1 38 MET ME 1 54 THR HB . . 3.800 3.494 2.482 3.868 0.068 4 0 "[ . 1 . 2]" 1 835 1 38 MET ME 1 54 THR MG . . 3.550 2.185 1.940 2.681 . 0 0 "[ . 1 . 2]" 1 836 1 38 MET ME 1 56 TYR H . . 5.500 4.438 4.160 4.665 . 0 0 "[ . 1 . 2]" 1 837 1 38 MET ME 1 56 TYR HA . . 4.100 3.986 3.809 4.197 0.097 5 0 "[ . 1 . 2]" 1 838 1 38 MET ME 1 56 TYR HB2 . . 4.260 3.155 2.831 3.437 . 0 0 "[ . 1 . 2]" 1 839 1 38 MET ME 1 56 TYR HB3 . . 3.990 2.137 2.002 2.267 . 0 0 "[ . 1 . 2]" 1 840 1 38 MET ME 1 56 TYR QD . . 3.720 3.263 2.924 3.474 . 0 0 "[ . 1 . 2]" 1 841 1 38 MET ME 1 56 TYR QE . . 4.890 4.715 4.098 4.970 0.080 5 0 "[ . 1 . 2]" 1 842 1 38 MET HG2 1 39 PRO HD3 . . 5.440 3.782 3.091 4.424 . 0 0 "[ . 1 . 2]" 1 843 1 38 MET HG2 1 41 SER HG . . 5.500 4.924 4.162 5.359 . 0 0 "[ . 1 . 2]" 1 844 1 38 MET HG2 1 56 TYR QD . . 4.510 3.081 2.493 4.119 . 0 0 "[ . 1 . 2]" 1 845 1 38 MET HG2 1 56 TYR QE . . 4.290 3.736 3.318 4.361 0.071 19 0 "[ . 1 . 2]" 1 846 1 38 MET HG3 1 54 THR HB . . 5.500 3.713 2.621 4.972 . 0 0 "[ . 1 . 2]" 1 847 1 38 MET HG3 1 54 THR MG . . 3.980 3.377 2.735 4.070 0.090 18 0 "[ . 1 . 2]" 1 848 1 38 MET HG3 1 55 ILE HA . . 5.500 4.092 3.436 5.181 . 0 0 "[ . 1 . 2]" 1 849 1 38 MET HG3 1 56 TYR QD . . 3.890 2.228 2.085 2.596 . 0 0 "[ . 1 . 2]" 1 850 1 38 MET HG3 1 56 TYR QE . . 3.860 3.777 3.016 3.943 0.083 11 0 "[ . 1 . 2]" 1 851 1 39 PRO HA 1 41 SER H . . 4.630 3.854 3.402 4.699 0.069 17 0 "[ . 1 . 2]" 1 852 1 39 PRO HA 1 76 GLU HB2 . . 4.980 3.589 2.193 4.238 . 0 0 "[ . 1 . 2]" 1 853 1 39 PRO HA 1 76 GLU HG2 . . 5.500 3.433 2.230 4.553 . 0 0 "[ . 1 . 2]" 1 854 1 39 PRO HA 1 76 GLU HG3 . . 5.500 4.348 2.702 5.518 0.018 17 0 "[ . 1 . 2]" 1 855 1 39 PRO HB2 1 40 GLY H . . 4.710 3.652 2.968 4.434 . 0 0 "[ . 1 . 2]" 1 856 1 39 PRO HB3 1 40 GLY H . . 4.380 4.050 3.366 4.637 0.257 17 0 "[ . 1 . 2]" 1 857 1 39 PRO HD3 1 56 TYR QE . . 4.060 3.063 2.531 3.612 . 0 0 "[ . 1 . 2]" 1 858 1 40 GLY H 1 41 SER H . . 4.190 2.739 1.940 3.344 . 0 0 "[ . 1 . 2]" 1 859 1 40 GLY H 1 42 VAL H . . 5.050 4.051 3.293 5.056 0.006 16 0 "[ . 1 . 2]" 1 860 1 40 GLY H 1 42 VAL QG . . 5.000 3.851 3.262 4.505 . 0 0 "[ . 1 . 2]" 1 861 1 40 GLY H 1 76 GLU HA . . 5.500 5.062 4.398 5.560 0.060 5 0 "[ . 1 . 2]" 1 862 1 40 GLY H 1 76 GLU HB2 . . 4.560 4.191 3.209 5.074 0.514 3 1 "[ + . 1 . 2]" 1 863 1 40 GLY H 1 76 GLU HG2 . . 4.500 3.146 1.782 4.521 0.021 17 0 "[ . 1 . 2]" 1 864 1 40 GLY HA2 1 42 VAL H . . 5.500 4.239 2.908 5.317 . 0 0 "[ . 1 . 2]" 1 865 1 41 SER H 1 41 SER HB2 . . 4.000 3.455 2.745 3.931 . 0 0 "[ . 1 . 2]" 1 866 1 41 SER H 1 41 SER HB3 . . 4.180 3.192 2.413 4.104 . 0 0 "[ . 1 . 2]" 1 867 1 41 SER H 1 41 SER HG . . 4.010 2.726 2.076 4.080 0.070 15 0 "[ . 1 . 2]" 1 868 1 41 SER H 1 42 VAL H . . 3.370 2.364 1.808 2.935 . 0 0 "[ . 1 . 2]" 1 869 1 41 SER H 1 42 VAL HB . . 5.390 4.793 3.987 5.443 0.053 1 0 "[ . 1 . 2]" 1 870 1 41 SER H 1 42 VAL QG . . 4.270 3.243 2.872 3.883 . 0 0 "[ . 1 . 2]" 1 871 1 41 SER H 1 54 THR H . . 5.490 4.887 4.380 5.362 . 0 0 "[ . 1 . 2]" 1 872 1 41 SER HB2 1 42 VAL H . . 4.970 3.534 2.708 4.174 . 0 0 "[ . 1 . 2]" 1 873 1 41 SER HB3 1 54 THR H . . 4.250 3.212 2.102 3.859 . 0 0 "[ . 1 . 2]" 1 874 1 41 SER HB3 1 54 THR HB . . 5.500 2.875 2.442 3.582 . 0 0 "[ . 1 . 2]" 1 875 1 41 SER HB3 1 54 THR MG . . 5.500 4.273 3.858 4.744 . 0 0 "[ . 1 . 2]" 1 876 1 41 SER HG 1 42 VAL H . . 5.320 3.623 2.382 5.182 . 0 0 "[ . 1 . 2]" 1 877 1 41 SER HG 1 42 VAL QG . . 5.500 4.026 2.965 5.445 . 0 0 "[ . 1 . 2]" 1 878 1 41 SER HG 1 53 PHE HA . . 5.500 4.786 4.135 5.581 0.081 8 0 "[ . 1 . 2]" 1 879 1 41 SER HG 1 54 THR H . . 5.410 3.426 2.004 4.650 . 0 0 "[ . 1 . 2]" 1 880 1 41 SER HG 1 54 THR HB . . 5.290 3.540 2.162 4.213 . 0 0 "[ . 1 . 2]" 1 881 1 41 SER HG 1 54 THR MG . . 5.500 4.816 3.333 5.502 0.002 7 0 "[ . 1 . 2]" 1 882 1 42 VAL H 1 42 VAL HB . . 3.450 2.684 2.395 2.879 . 0 0 "[ . 1 . 2]" 1 883 1 42 VAL H 1 42 VAL QG . . 3.010 1.858 1.750 2.103 . 0 0 "[ . 1 . 2]" 1 884 1 42 VAL H 1 43 GLN H . . 4.730 4.228 4.024 4.479 . 0 0 "[ . 1 . 2]" 1 885 1 42 VAL H 1 53 PHE HA . . 5.010 3.935 3.106 4.295 . 0 0 "[ . 1 . 2]" 1 886 1 42 VAL H 1 53 PHE HB3 . . 4.970 4.059 3.548 4.281 . 0 0 "[ . 1 . 2]" 1 887 1 42 VAL H 1 53 PHE QD . . 5.500 5.501 4.883 5.597 0.097 5 0 "[ . 1 . 2]" 1 888 1 42 VAL H 1 74 PHE QE . . 5.330 5.326 5.121 5.431 0.101 14 0 "[ . 1 . 2]" 1 889 1 42 VAL HA 1 43 GLN H . . 3.120 2.108 2.009 2.197 . 0 0 "[ . 1 . 2]" 1 890 1 42 VAL HA 1 51 VAL QG . . 3.840 3.518 3.072 3.909 0.069 6 0 "[ . 1 . 2]" 1 891 1 42 VAL HA 1 53 PHE H . . 5.070 4.581 4.317 4.868 . 0 0 "[ . 1 . 2]" 1 892 1 42 VAL HA 1 53 PHE HB3 . . 5.500 2.235 2.071 2.489 . 0 0 "[ . 1 . 2]" 1 893 1 42 VAL HB 1 43 GLN H . . 5.500 4.313 4.042 4.460 . 0 0 "[ . 1 . 2]" 1 894 1 42 VAL HB 1 53 PHE HA . . 5.500 4.534 3.432 5.564 0.064 9 0 "[ . 1 . 2]" 1 895 1 42 VAL HB 1 74 PHE QE . . 4.840 3.687 2.855 4.636 . 0 0 "[ . 1 . 2]" 1 896 1 42 VAL QG 1 43 GLN H . . 3.470 3.201 2.735 3.422 . 0 0 "[ . 1 . 2]" 1 897 1 42 VAL QG 1 44 ARG H . . 5.300 3.226 2.278 4.411 . 0 0 "[ . 1 . 2]" 1 898 1 42 VAL QG 1 52 THR H . . 4.560 3.885 3.464 4.300 . 0 0 "[ . 1 . 2]" 1 899 1 42 VAL QG 1 53 PHE HA . . 4.070 3.647 3.373 3.865 . 0 0 "[ . 1 . 2]" 1 900 1 42 VAL QG 1 53 PHE HB2 . . 4.000 2.798 2.145 3.408 . 0 0 "[ . 1 . 2]" 1 901 1 42 VAL QG 1 53 PHE HB3 . . 3.920 2.309 1.996 2.727 . 0 0 "[ . 1 . 2]" 1 902 1 42 VAL QG 1 53 PHE QD . . 3.870 3.259 2.553 3.754 . 0 0 "[ . 1 . 2]" 1 903 1 42 VAL QG 1 54 THR H . . 4.620 4.159 3.721 4.479 . 0 0 "[ . 1 . 2]" 1 904 1 42 VAL QG 1 74 PHE QD . . 4.160 3.546 3.236 3.745 . 0 0 "[ . 1 . 2]" 1 905 1 42 VAL QG 1 74 PHE QE . . 3.470 2.081 1.962 2.272 . 0 0 "[ . 1 . 2]" 1 906 1 42 VAL QG 1 74 PHE HZ . . 3.950 2.989 2.214 3.474 . 0 0 "[ . 1 . 2]" 1 907 1 42 VAL QG 1 76 GLU H . . 5.050 4.235 3.583 4.736 . 0 0 "[ . 1 . 2]" 1 908 1 42 VAL QG 1 76 GLU HG2 . . 4.810 2.458 2.037 3.958 . 0 0 "[ . 1 . 2]" 1 909 1 42 VAL QG 1 76 GLU HG3 . . 3.980 2.319 1.920 4.281 0.301 14 0 "[ . 1 . 2]" 1 910 1 43 GLN H 1 43 GLN HB2 . . 3.680 2.727 2.190 3.755 0.075 6 0 "[ . 1 . 2]" 1 911 1 43 GLN H 1 43 GLN HB3 . . 3.780 3.199 2.167 3.610 . 0 0 "[ . 1 . 2]" 1 912 1 43 GLN H 1 43 GLN HE21 . . 5.180 4.510 2.868 5.251 0.071 18 0 "[ . 1 . 2]" 1 913 1 43 GLN H 1 43 GLN QG . . 4.080 2.563 1.951 3.799 . 0 0 "[ . 1 . 2]" 1 914 1 43 GLN H 1 44 ARG H . . 4.960 3.481 2.596 4.455 . 0 0 "[ . 1 . 2]" 1 915 1 43 GLN H 1 51 VAL HA . . 4.970 4.773 4.266 5.033 0.063 17 0 "[ . 1 . 2]" 1 916 1 43 GLN H 1 51 VAL QG . . 3.620 3.520 3.141 3.687 0.067 20 0 "[ . 1 . 2]" 1 917 1 43 GLN H 1 52 THR H . . 3.650 3.066 2.633 3.311 . 0 0 "[ . 1 . 2]" 1 918 1 43 GLN H 1 52 THR HA . . 5.110 4.913 4.647 5.198 0.088 3 0 "[ . 1 . 2]" 1 919 1 43 GLN H 1 52 THR HB . . 5.240 4.312 3.401 5.259 0.019 3 0 "[ . 1 . 2]" 1 920 1 43 GLN H 1 52 THR MG . . 5.500 4.752 4.278 5.365 . 0 0 "[ . 1 . 2]" 1 921 1 43 GLN H 1 53 PHE H . . 5.500 4.889 4.702 5.192 . 0 0 "[ . 1 . 2]" 1 922 1 43 GLN H 1 53 PHE HA . . 4.480 3.347 3.139 3.653 . 0 0 "[ . 1 . 2]" 1 923 1 43 GLN H 1 53 PHE HB2 . . 5.400 4.901 4.579 5.380 . 0 0 "[ . 1 . 2]" 1 924 1 43 GLN H 1 53 PHE HB3 . . 4.560 3.856 3.659 4.269 . 0 0 "[ . 1 . 2]" 1 925 1 43 GLN H 1 53 PHE QD . . 5.360 5.197 4.751 5.435 0.075 3 0 "[ . 1 . 2]" 1 926 1 43 GLN HB2 1 44 ARG H . . 4.660 3.716 2.019 4.547 . 0 0 "[ . 1 . 2]" 1 927 1 43 GLN HB2 1 52 THR H . . 4.780 3.288 2.113 4.533 . 0 0 "[ . 1 . 2]" 1 928 1 43 GLN HB2 1 52 THR MG . . 4.970 4.324 3.266 5.093 0.123 20 0 "[ . 1 . 2]" 1 929 1 43 GLN HB3 1 43 GLN HE22 . . 5.240 4.280 3.508 5.039 . 0 0 "[ . 1 . 2]" 1 930 1 43 GLN HB3 1 44 ARG H . . 4.360 3.878 2.151 4.623 0.263 19 0 "[ . 1 . 2]" 1 931 1 43 GLN HB3 1 52 THR H . . 4.640 4.001 1.796 4.862 0.222 20 0 "[ . 1 . 2]" 1 932 1 43 GLN HB3 1 52 THR MG . . 4.970 4.790 3.508 5.077 0.107 4 0 "[ . 1 . 2]" 1 933 1 43 GLN HE21 1 52 THR MG . . 5.360 3.730 2.373 5.426 0.066 7 0 "[ . 1 . 2]" 1 934 1 43 GLN HE22 1 52 THR MG . . 4.860 3.957 2.535 4.959 0.099 15 0 "[ . 1 . 2]" 1 935 1 43 GLN QG 1 44 ARG H . . 4.750 4.058 2.648 4.593 . 0 0 "[ . 1 . 2]" 1 936 1 43 GLN QG 1 52 THR MG . . 5.280 4.002 2.726 5.070 . 0 0 "[ . 1 . 2]" 1 937 1 44 ARG H 1 44 ARG HB2 . . 3.830 3.492 2.651 4.003 0.173 18 0 "[ . 1 . 2]" 1 938 1 44 ARG H 1 44 ARG QD . . 5.500 4.258 3.343 4.953 . 0 0 "[ . 1 . 2]" 1 939 1 44 ARG H 1 44 ARG HG2 . . 4.410 2.950 1.855 3.934 . 0 0 "[ . 1 . 2]" 1 940 1 44 ARG H 1 44 ARG HG3 . . 4.110 2.838 1.908 4.181 0.071 18 0 "[ . 1 . 2]" 1 941 1 44 ARG H 1 51 VAL QG . . 5.460 3.109 2.044 4.327 . 0 0 "[ . 1 . 2]" 1 942 1 44 ARG HA 1 44 ARG HG2 . . 4.000 3.288 2.626 4.115 0.115 9 0 "[ . 1 . 2]" 1 943 1 44 ARG HA 1 51 VAL HA . . 5.150 2.135 1.924 2.460 . 0 0 "[ . 1 . 2]" 1 944 1 44 ARG HA 1 51 VAL HB . . 5.500 2.981 2.036 4.900 . 0 0 "[ . 1 . 2]" 1 945 1 44 ARG HA 1 51 VAL QG . . 3.780 2.389 2.039 2.695 . 0 0 "[ . 1 . 2]" 1 946 1 44 ARG HA 1 52 THR H . . 4.240 3.624 3.373 3.971 . 0 0 "[ . 1 . 2]" 1 947 1 44 ARG HB2 1 45 ASP H . . 3.880 3.334 2.548 3.961 0.081 7 0 "[ . 1 . 2]" 1 948 1 44 ARG HB2 1 51 VAL QG . . 3.900 3.662 3.186 3.939 0.039 15 0 "[ . 1 . 2]" 1 949 1 44 ARG HB3 1 45 ASP H . . 3.950 3.407 2.358 4.000 0.050 9 0 "[ . 1 . 2]" 1 950 1 44 ARG HB3 1 51 VAL QG . . 4.450 2.582 2.077 3.258 . 0 0 "[ . 1 . 2]" 1 951 1 44 ARG QD 1 45 ASP H . . 5.300 5.091 4.191 5.398 0.098 16 0 "[ . 1 . 2]" 1 952 1 44 ARG QD 1 51 VAL HB . . 5.500 4.938 4.100 5.603 0.103 12 0 "[ . 1 . 2]" 1 953 1 44 ARG QD 1 51 VAL QG . . 4.540 3.400 2.707 4.317 . 0 0 "[ . 1 . 2]" 1 954 1 44 ARG HG2 1 45 ASP H . . 5.320 5.038 4.598 5.499 0.179 9 0 "[ . 1 . 2]" 1 955 1 44 ARG HG2 1 51 VAL HA . . 5.500 4.718 3.756 5.583 0.083 9 0 "[ . 1 . 2]" 1 956 1 44 ARG HG2 1 51 VAL QG . . 3.780 2.670 1.997 3.776 . 0 0 "[ . 1 . 2]" 1 957 1 44 ARG HG2 1 52 THR H . . 5.500 5.195 4.218 6.206 0.706 9 1 "[ . +1 . 2]" 1 958 1 44 ARG HG3 1 51 VAL HA . . 5.500 5.376 4.697 5.588 0.088 10 0 "[ . 1 . 2]" 1 959 1 44 ARG HG3 1 51 VAL QG . . 4.590 3.694 2.538 4.539 . 0 0 "[ . 1 . 2]" 1 960 1 45 ASP H 1 45 ASP QB . . 3.340 2.267 2.042 2.675 . 0 0 "[ . 1 . 2]" 1 961 1 45 ASP H 1 46 PRO QD . . 4.690 4.318 4.018 4.516 . 0 0 "[ . 1 . 2]" 1 962 1 45 ASP H 1 47 ASN H . . 5.030 5.049 4.565 5.112 0.082 17 0 "[ . 1 . 2]" 1 963 1 45 ASP H 1 48 SER H . . 4.440 4.434 4.219 4.531 0.091 10 0 "[ . 1 . 2]" 1 964 1 45 ASP H 1 48 SER HB2 . . 5.500 5.374 4.728 5.770 0.270 18 0 "[ . 1 . 2]" 1 965 1 45 ASP H 1 49 LEU HA . . 4.500 4.389 3.079 4.584 0.084 18 0 "[ . 1 . 2]" 1 966 1 45 ASP H 1 50 LYS H . . 4.890 4.257 3.763 4.869 . 0 0 "[ . 1 . 2]" 1 967 1 45 ASP H 1 51 VAL H . . 5.300 5.064 4.842 5.375 0.075 12 0 "[ . 1 . 2]" 1 968 1 45 ASP H 1 51 VAL HA . . 3.980 3.477 3.080 4.049 0.069 12 0 "[ . 1 . 2]" 1 969 1 45 ASP H 1 51 VAL QG . . 4.390 3.884 3.455 4.088 . 0 0 "[ . 1 . 2]" 1 970 1 45 ASP HA 1 46 PRO QD . . 4.030 2.123 2.050 2.203 . 0 0 "[ . 1 . 2]" 1 971 1 45 ASP HA 1 46 PRO HG3 . . 5.320 4.636 4.520 4.758 . 0 0 "[ . 1 . 2]" 1 972 1 45 ASP QB 1 46 PRO QD . . 4.540 3.620 2.833 3.934 . 0 0 "[ . 1 . 2]" 1 973 1 45 ASP QB 1 48 SER H . . 3.700 2.231 2.003 2.506 . 0 0 "[ . 1 . 2]" 1 974 1 45 ASP QB 1 49 LEU H . . 4.420 3.741 2.748 4.317 . 0 0 "[ . 1 . 2]" 1 975 1 45 ASP QB 1 50 LYS H . . 4.130 2.983 2.650 3.562 . 0 0 "[ . 1 . 2]" 1 976 1 45 ASP QB 1 50 LYS HB2 . . 4.500 3.252 2.285 4.184 . 0 0 "[ . 1 . 2]" 1 977 1 45 ASP QB 1 50 LYS HB3 . . 4.320 3.020 2.128 3.946 . 0 0 "[ . 1 . 2]" 1 978 1 46 PRO HA 1 48 SER H . . 4.190 4.152 3.881 4.275 0.085 17 0 "[ . 1 . 2]" 1 979 1 46 PRO HB2 1 47 ASN H . . 4.370 3.929 3.688 4.094 . 0 0 "[ . 1 . 2]" 1 980 1 46 PRO HB2 1 47 ASN HD21 . . 5.050 4.764 3.782 5.130 0.080 13 0 "[ . 1 . 2]" 1 981 1 46 PRO HB2 1 47 ASN HD22 . . 5.200 4.388 3.202 5.109 . 0 0 "[ . 1 . 2]" 1 982 1 46 PRO QD 1 47 ASN H . . 3.900 2.720 2.412 2.960 . 0 0 "[ . 1 . 2]" 1 983 1 46 PRO QD 1 47 ASN HD22 . . 5.500 4.335 2.647 5.577 0.077 15 0 "[ . 1 . 2]" 1 984 1 46 PRO HG2 1 47 ASN H . . 4.050 3.070 2.741 3.605 . 0 0 "[ . 1 . 2]" 1 985 1 46 PRO HG2 1 47 ASN HD21 . . 4.520 3.230 2.162 4.787 0.267 18 0 "[ . 1 . 2]" 1 986 1 46 PRO HG2 1 47 ASN HD22 . . 4.940 3.048 2.305 4.026 . 0 0 "[ . 1 . 2]" 1 987 1 46 PRO HG3 1 47 ASN H . . 5.500 4.428 4.202 4.763 . 0 0 "[ . 1 . 2]" 1 988 1 47 ASN H 1 47 ASN HB2 . . 3.600 2.659 2.369 3.657 0.057 20 0 "[ . 1 . 2]" 1 989 1 47 ASN H 1 47 ASN HB3 . . 3.860 3.704 3.547 3.805 . 0 0 "[ . 1 . 2]" 1 990 1 47 ASN H 1 47 ASN HD21 . . 5.190 3.358 1.992 4.461 . 0 0 "[ . 1 . 2]" 1 991 1 47 ASN H 1 47 ASN HD22 . . 5.130 4.228 3.343 5.073 . 0 0 "[ . 1 . 2]" 1 992 1 47 ASN H 1 48 SER H . . 3.430 2.227 1.927 2.628 . 0 0 "[ . 1 . 2]" 1 993 1 47 ASN HA 1 47 ASN HD22 . . 5.500 4.497 3.699 5.271 . 0 0 "[ . 1 . 2]" 1 994 1 47 ASN HB2 1 47 ASN HD22 . . 3.640 3.644 3.485 4.033 0.393 6 0 "[ . 1 . 2]" 1 995 1 47 ASN HB2 1 48 SER H . . 4.090 3.629 2.961 4.177 0.087 20 0 "[ . 1 . 2]" 1 996 1 47 ASN HB3 1 47 ASN HD22 . . 4.100 3.933 3.558 4.166 0.066 12 0 "[ . 1 . 2]" 1 997 1 47 ASN HB3 1 48 SER H . . 5.020 4.368 3.947 4.629 . 0 0 "[ . 1 . 2]" 1 998 1 48 SER H 1 49 LEU H . . 4.900 4.016 2.059 4.451 . 0 0 "[ . 1 . 2]" 1 999 1 48 SER H 1 49 LEU HA . . 4.990 4.599 3.917 4.878 . 0 0 "[ . 1 . 2]" 1 1000 1 48 SER H 1 49 LEU QD . . 4.890 4.555 3.980 4.991 0.101 12 0 "[ . 1 . 2]" 1 1001 1 48 SER H 1 50 LYS H . . 4.900 4.582 3.586 4.965 0.065 20 0 "[ . 1 . 2]" 1 1002 1 48 SER HB2 1 49 LEU H . . 4.250 3.480 2.105 3.974 . 0 0 "[ . 1 . 2]" 1 1003 1 48 SER HB2 1 50 LYS H . . 4.690 3.598 2.471 4.329 . 0 0 "[ . 1 . 2]" 1 1004 1 48 SER HB3 1 49 LEU H . . 3.840 2.587 2.004 4.030 0.190 7 0 "[ . 1 . 2]" 1 1005 1 48 SER HB3 1 50 LYS H . . 4.260 2.501 1.896 3.420 . 0 0 "[ . 1 . 2]" 1 1006 1 49 LEU H 1 49 LEU HB2 . . 3.440 2.802 2.391 3.929 0.489 7 0 "[ . 1 . 2]" 1 1007 1 49 LEU H 1 49 LEU HB3 . . 3.860 3.679 3.489 3.946 0.086 10 0 "[ . 1 . 2]" 1 1008 1 49 LEU H 1 49 LEU QD . . 3.970 2.813 1.715 3.957 . 0 0 "[ . 1 . 2]" 1 1009 1 49 LEU H 1 50 LYS H . . 3.800 2.260 1.785 3.300 . 0 0 "[ . 1 . 2]" 1 1010 1 49 LEU HA 1 49 LEU QD . . 3.890 2.660 2.019 3.353 . 0 0 "[ . 1 . 2]" 1 1011 1 49 LEU HB2 1 49 LEU QD . . 2.980 2.257 2.129 2.467 . 0 0 "[ . 1 . 2]" 1 1012 1 49 LEU HB2 1 68 GLY H . . 3.800 3.608 2.420 3.871 0.071 15 0 "[ . 1 . 2]" 1 1013 1 49 LEU HB3 1 68 GLY H . . 3.380 2.761 2.423 3.874 0.494 13 0 "[ . 1 . 2]" 1 1014 1 49 LEU QD 1 50 LYS H . . 4.540 4.081 2.648 4.533 . 0 0 "[ . 1 . 2]" 1 1015 1 49 LEU QD 1 68 GLY H . . 3.790 3.799 3.540 3.897 0.107 18 0 "[ . 1 . 2]" 1 1016 1 50 LYS H 1 50 LYS HB2 . . 3.220 2.110 1.964 2.419 . 0 0 "[ . 1 . 2]" 1 1017 1 50 LYS H 1 50 LYS HB3 . . 3.190 3.105 2.389 3.301 0.111 2 0 "[ . 1 . 2]" 1 1018 1 50 LYS H 1 50 LYS QD . . 4.980 4.473 4.181 4.744 . 0 0 "[ . 1 . 2]" 1 1019 1 50 LYS H 1 50 LYS QG . . 4.100 3.422 2.928 3.863 . 0 0 "[ . 1 . 2]" 1 1020 1 50 LYS H 1 51 VAL H . . 4.780 4.572 4.400 4.707 . 0 0 "[ . 1 . 2]" 1 1021 1 50 LYS H 1 67 GLU QG . . 5.500 3.337 2.959 3.775 . 0 0 "[ . 1 . 2]" 1 1022 1 50 LYS H 1 68 GLY H . . 5.500 4.840 4.603 5.253 . 0 0 "[ . 1 . 2]" 1 1023 1 50 LYS HA 1 50 LYS QD . . 3.350 2.565 2.179 2.971 . 0 0 "[ . 1 . 2]" 1 1024 1 50 LYS HA 1 50 LYS QG . . 4.000 2.252 2.126 2.339 . 0 0 "[ . 1 . 2]" 1 1025 1 50 LYS HA 1 51 VAL H . . 2.960 2.186 2.028 2.329 . 0 0 "[ . 1 . 2]" 1 1026 1 50 LYS HA 1 51 VAL HB . . 5.500 4.854 4.419 5.428 . 0 0 "[ . 1 . 2]" 1 1027 1 50 LYS HA 1 51 VAL QG . . 4.010 3.401 3.146 3.579 . 0 0 "[ . 1 . 2]" 1 1028 1 50 LYS HA 1 67 GLU HB2 . . 3.170 2.905 2.487 3.222 0.052 9 0 "[ . 1 . 2]" 1 1029 1 50 LYS HA 1 67 GLU QG . . 4.100 2.647 2.282 3.264 . 0 0 "[ . 1 . 2]" 1 1030 1 50 LYS HB2 1 50 LYS QZ . . 5.340 4.698 3.373 5.186 . 0 0 "[ . 1 . 2]" 1 1031 1 50 LYS HB2 1 51 VAL H . . 5.150 4.387 4.220 4.576 . 0 0 "[ . 1 . 2]" 1 1032 1 50 LYS HB3 1 50 LYS QZ . . 4.630 4.080 2.260 4.903 0.273 14 0 "[ . 1 . 2]" 1 1033 1 50 LYS HB3 1 51 VAL H . . 4.270 3.582 3.219 4.066 . 0 0 "[ . 1 . 2]" 1 1034 1 50 LYS QD 1 51 VAL H . . 4.120 2.621 2.056 3.795 . 0 0 "[ . 1 . 2]" 1 1035 1 50 LYS QD 1 51 VAL HA . . 5.500 4.459 3.690 5.593 0.093 14 0 "[ . 1 . 2]" 1 1036 1 50 LYS QD 1 67 GLU HB2 . . 2.860 2.773 2.189 2.948 0.088 10 0 "[ . 1 . 2]" 1 1037 1 50 LYS QE 1 51 VAL H . . 5.500 4.404 3.715 5.205 . 0 0 "[ . 1 . 2]" 1 1038 1 50 LYS QG 1 51 VAL H . . 4.080 3.505 2.021 3.962 . 0 0 "[ . 1 . 2]" 1 1039 1 50 LYS QG 1 67 GLU HB2 . . 4.030 2.749 2.216 3.987 . 0 0 "[ . 1 . 2]" 1 1040 1 50 LYS QG 1 67 GLU QG . . 4.870 2.799 2.144 4.602 . 0 0 "[ . 1 . 2]" 1 1041 1 50 LYS QG 1 68 GLY H . . 5.500 5.386 5.370 5.402 . 0 0 "[ . 1 . 2]" 1 1042 1 50 LYS QZ 1 65 SER HB3 . . 4.760 3.467 1.979 5.572 0.812 3 1 "[ + . 1 . 2]" 1 1043 1 51 VAL H 1 51 VAL HB . . 3.870 3.441 3.171 3.581 . 0 0 "[ . 1 . 2]" 1 1044 1 51 VAL H 1 51 VAL QG . . 3.480 2.400 2.046 2.568 . 0 0 "[ . 1 . 2]" 1 1045 1 51 VAL H 1 52 THR H . . 4.830 4.227 3.964 4.508 . 0 0 "[ . 1 . 2]" 1 1046 1 51 VAL H 1 65 SER HA . . 5.280 4.791 4.280 5.217 . 0 0 "[ . 1 . 2]" 1 1047 1 51 VAL H 1 66 TYR H . . 3.850 3.168 2.740 3.506 . 0 0 "[ . 1 . 2]" 1 1048 1 51 VAL H 1 66 TYR HA . . 5.500 4.898 4.670 5.188 . 0 0 "[ . 1 . 2]" 1 1049 1 51 VAL H 1 66 TYR HB2 . . 5.360 5.296 5.004 5.445 0.085 2 0 "[ . 1 . 2]" 1 1050 1 51 VAL H 1 66 TYR HB3 . . 5.110 3.841 3.456 4.090 . 0 0 "[ . 1 . 2]" 1 1051 1 51 VAL H 1 66 TYR QD . . 5.180 4.751 4.469 4.990 . 0 0 "[ . 1 . 2]" 1 1052 1 51 VAL H 1 67 GLU H . . 5.260 4.636 4.395 4.898 . 0 0 "[ . 1 . 2]" 1 1053 1 51 VAL H 1 67 GLU HB2 . . 4.360 4.031 3.614 4.424 0.064 6 0 "[ . 1 . 2]" 1 1054 1 51 VAL H 1 67 GLU QG . . 5.500 4.488 4.194 5.024 . 0 0 "[ . 1 . 2]" 1 1055 1 51 VAL H 1 68 GLY H . . 4.500 4.416 4.182 4.593 0.093 4 0 "[ . 1 . 2]" 1 1056 1 51 VAL HA 1 52 THR H . . 2.930 2.235 2.104 2.402 . 0 0 "[ . 1 . 2]" 1 1057 1 51 VAL HA 1 52 THR HA . . 5.190 4.440 4.332 4.494 . 0 0 "[ . 1 . 2]" 1 1058 1 51 VAL HA 1 70 LEU QD . . 5.090 4.859 4.561 5.007 . 0 0 "[ . 1 . 2]" 1 1059 1 51 VAL HB 1 52 THR H . . 4.270 3.813 2.912 4.186 . 0 0 "[ . 1 . 2]" 1 1060 1 51 VAL HB 1 53 PHE QD . . 5.500 4.721 2.539 5.606 0.106 3 0 "[ . 1 . 2]" 1 1061 1 51 VAL HB 1 66 TYR HB3 . . 5.500 4.212 2.354 5.049 . 0 0 "[ . 1 . 2]" 1 1062 1 51 VAL HB 1 66 TYR QD . . 4.500 4.318 3.504 4.594 0.094 9 0 "[ . 1 . 2]" 1 1063 1 51 VAL HB 1 70 LEU QD . . 4.220 3.455 2.954 3.785 . 0 0 "[ . 1 . 2]" 1 1064 1 51 VAL QG 1 52 THR H . . 3.510 2.416 2.085 2.781 . 0 0 "[ . 1 . 2]" 1 1065 1 51 VAL QG 1 52 THR HA . . 4.820 3.599 3.233 4.104 . 0 0 "[ . 1 . 2]" 1 1066 1 51 VAL QG 1 53 PHE H . . 4.390 4.263 3.885 4.351 . 0 0 "[ . 1 . 2]" 1 1067 1 51 VAL QG 1 53 PHE QD . . 3.740 2.657 2.430 3.151 . 0 0 "[ . 1 . 2]" 1 1068 1 51 VAL QG 1 53 PHE QE . . 3.920 3.447 3.215 3.740 . 0 0 "[ . 1 . 2]" 1 1069 1 51 VAL QG 1 66 TYR H . . 4.140 3.260 2.889 3.561 . 0 0 "[ . 1 . 2]" 1 1070 1 51 VAL QG 1 66 TYR HA . . 4.360 4.190 3.917 4.356 . 0 0 "[ . 1 . 2]" 1 1071 1 51 VAL QG 1 66 TYR HB2 . . 4.050 3.439 3.224 3.588 . 0 0 "[ . 1 . 2]" 1 1072 1 51 VAL QG 1 66 TYR HB3 . . 3.690 2.033 1.892 2.187 . 0 0 "[ . 1 . 2]" 1 1073 1 51 VAL QG 1 66 TYR QD . . 3.390 1.992 1.921 2.091 . 0 0 "[ . 1 . 2]" 1 1074 1 51 VAL QG 1 66 TYR QE . . 4.090 3.498 3.273 3.777 . 0 0 "[ . 1 . 2]" 1 1075 1 51 VAL QG 1 68 GLY H . . 4.580 2.916 2.698 3.400 . 0 0 "[ . 1 . 2]" 1 1076 1 51 VAL QG 1 70 LEU QD . . 3.270 1.886 1.758 2.042 . 0 0 "[ . 1 . 2]" 1 1077 1 51 VAL QG 1 70 LEU HG . . 5.360 3.397 2.144 4.379 . 0 0 "[ . 1 . 2]" 1 1078 1 52 THR H 1 52 THR MG . . 3.940 3.502 2.843 3.973 0.033 17 0 "[ . 1 . 2]" 1 1079 1 52 THR H 1 53 PHE QD . . 5.040 4.398 3.947 4.747 . 0 0 "[ . 1 . 2]" 1 1080 1 52 THR H 1 65 SER HA . . 5.320 5.010 4.652 5.354 0.034 10 0 "[ . 1 . 2]" 1 1081 1 52 THR H 1 66 TYR H . . 5.500 4.815 4.616 5.106 . 0 0 "[ . 1 . 2]" 1 1082 1 52 THR HA 1 52 THR MG . . 3.210 2.372 2.123 2.654 . 0 0 "[ . 1 . 2]" 1 1083 1 52 THR HA 1 53 PHE H . . 3.080 2.316 2.119 2.503 . 0 0 "[ . 1 . 2]" 1 1084 1 52 THR HA 1 53 PHE HA . . 5.060 4.491 4.409 4.576 . 0 0 "[ . 1 . 2]" 1 1085 1 52 THR HA 1 53 PHE QD . . 5.500 3.579 2.956 4.042 . 0 0 "[ . 1 . 2]" 1 1086 1 52 THR HA 1 64 VAL H . . 5.280 4.604 4.267 4.957 . 0 0 "[ . 1 . 2]" 1 1087 1 52 THR HA 1 64 VAL QG . . 4.480 3.735 2.591 4.438 . 0 0 "[ . 1 . 2]" 1 1088 1 52 THR HA 1 65 SER H . . 5.020 4.841 4.643 5.057 0.037 10 0 "[ . 1 . 2]" 1 1089 1 52 THR HA 1 65 SER HA . . 4.140 2.464 2.153 2.652 . 0 0 "[ . 1 . 2]" 1 1090 1 52 THR HA 1 65 SER HB3 . . 5.500 4.987 3.602 5.680 0.180 10 0 "[ . 1 . 2]" 1 1091 1 52 THR HA 1 66 TYR H . . 4.240 3.140 2.683 3.667 . 0 0 "[ . 1 . 2]" 1 1092 1 52 THR HB 1 53 PHE H . . 4.600 3.686 2.695 4.401 . 0 0 "[ . 1 . 2]" 1 1093 1 52 THR HB 1 65 SER HA . . 5.500 4.250 2.899 5.083 . 0 0 "[ . 1 . 2]" 1 1094 1 52 THR MG 1 53 PHE H . . 4.380 3.335 2.374 4.110 . 0 0 "[ . 1 . 2]" 1 1095 1 52 THR MG 1 53 PHE HA . . 5.500 4.671 3.673 5.593 0.093 3 0 "[ . 1 . 2]" 1 1096 1 52 THR MG 1 64 VAL H . . 5.260 4.319 3.285 5.358 0.098 6 0 "[ . 1 . 2]" 1 1097 1 52 THR MG 1 64 VAL QG . . 5.200 4.371 3.714 5.092 . 0 0 "[ . 1 . 2]" 1 1098 1 52 THR MG 1 65 SER HA . . 3.450 2.466 1.999 2.771 . 0 0 "[ . 1 . 2]" 1 1099 1 52 THR MG 1 65 SER HB2 . . 4.610 3.809 2.971 4.536 . 0 0 "[ . 1 . 2]" 1 1100 1 52 THR MG 1 65 SER HB3 . . 3.920 3.794 2.241 4.681 0.761 16 4 "[ . - * *+ 2]" 1 1101 1 52 THR MG 1 66 TYR H . . 4.050 3.881 2.566 4.169 0.119 20 0 "[ . 1 . 2]" 1 1102 1 53 PHE H 1 53 PHE QD . . 3.880 3.015 2.429 3.306 . 0 0 "[ . 1 . 2]" 1 1103 1 53 PHE H 1 53 PHE QE . . 4.820 4.688 4.241 4.903 0.083 5 0 "[ . 1 . 2]" 1 1104 1 53 PHE H 1 54 THR H . . 4.450 4.407 4.334 4.512 0.062 17 0 "[ . 1 . 2]" 1 1105 1 53 PHE H 1 64 VAL H . . 3.860 2.957 2.717 3.560 . 0 0 "[ . 1 . 2]" 1 1106 1 53 PHE H 1 64 VAL HB . . 4.500 3.819 2.861 4.593 0.093 10 0 "[ . 1 . 2]" 1 1107 1 53 PHE H 1 64 VAL QG . . 4.140 2.961 1.915 3.845 . 0 0 "[ . 1 . 2]" 1 1108 1 53 PHE H 1 65 SER HA . . 4.380 3.900 3.519 4.202 . 0 0 "[ . 1 . 2]" 1 1109 1 53 PHE H 1 66 TYR H . . 5.070 4.825 4.253 5.138 0.068 2 0 "[ . 1 . 2]" 1 1110 1 53 PHE HA 1 54 THR H . . 3.430 2.580 2.483 2.736 . 0 0 "[ . 1 . 2]" 1 1111 1 53 PHE HB2 1 54 THR H . . 3.740 2.238 2.094 2.421 . 0 0 "[ . 1 . 2]" 1 1112 1 53 PHE HB2 1 74 PHE HZ . . 5.500 3.485 3.029 3.789 . 0 0 "[ . 1 . 2]" 1 1113 1 53 PHE HB3 1 54 THR H . . 4.030 3.689 3.547 3.826 . 0 0 "[ . 1 . 2]" 1 1114 1 53 PHE HB3 1 64 VAL QG . . 5.500 4.305 3.628 5.026 . 0 0 "[ . 1 . 2]" 1 1115 1 53 PHE HB3 1 74 PHE QE . . 4.760 4.255 3.950 4.621 . 0 0 "[ . 1 . 2]" 1 1116 1 53 PHE HB3 1 74 PHE HZ . . 5.330 3.561 3.218 3.854 . 0 0 "[ . 1 . 2]" 1 1117 1 53 PHE QD 1 54 THR H . . 4.060 3.147 2.827 3.444 . 0 0 "[ . 1 . 2]" 1 1118 1 53 PHE QD 1 54 THR HA . . 4.450 4.049 3.747 4.539 0.089 16 0 "[ . 1 . 2]" 1 1119 1 53 PHE QD 1 55 ILE MD . . 4.010 4.114 4.036 4.134 0.124 14 0 "[ . 1 . 2]" 1 1120 1 53 PHE QD 1 55 ILE QG . . 5.500 2.857 2.539 3.327 . 0 0 "[ . 1 . 2]" 1 1121 1 53 PHE QD 1 55 ILE MG . . 3.460 2.779 2.349 3.571 0.111 19 0 "[ . 1 . 2]" 1 1122 1 53 PHE QD 1 64 VAL H . . 5.270 4.728 4.593 4.946 . 0 0 "[ . 1 . 2]" 1 1123 1 53 PHE QD 1 64 VAL HB . . 4.500 3.968 3.143 4.629 0.129 3 0 "[ . 1 . 2]" 1 1124 1 53 PHE QD 1 64 VAL QG . . 3.680 2.796 2.335 3.277 . 0 0 "[ . 1 . 2]" 1 1125 1 53 PHE QD 1 66 TYR H . . 5.400 4.604 4.203 5.090 . 0 0 "[ . 1 . 2]" 1 1126 1 53 PHE QD 1 70 LEU QD . . 4.520 3.615 3.078 4.052 . 0 0 "[ . 1 . 2]" 1 1127 1 53 PHE QD 1 74 PHE QE . . 3.880 3.815 3.455 3.964 0.084 2 0 "[ . 1 . 2]" 1 1128 1 53 PHE QD 1 74 PHE HZ . . 3.630 3.108 2.705 3.497 . 0 0 "[ . 1 . 2]" 1 1129 1 53 PHE QD 1 97 VAL QG . . 4.650 3.909 3.653 4.345 . 0 0 "[ . 1 . 2]" 1 1130 1 53 PHE QE 1 55 ILE H . . 5.350 5.288 4.848 5.440 0.090 13 0 "[ . 1 . 2]" 1 1131 1 53 PHE QE 1 55 ILE MD . . 3.380 2.691 2.468 2.952 . 0 0 "[ . 1 . 2]" 1 1132 1 53 PHE QE 1 55 ILE QG . . 4.980 2.526 2.022 3.032 . 0 0 "[ . 1 . 2]" 1 1133 1 53 PHE QE 1 55 ILE MG . . 3.330 2.402 2.048 3.261 . 0 0 "[ . 1 . 2]" 1 1134 1 53 PHE QE 1 64 VAL H . . 5.500 5.562 5.391 5.606 0.106 15 0 "[ . 1 . 2]" 1 1135 1 53 PHE QE 1 64 VAL HB . . 5.500 3.772 3.162 4.260 . 0 0 "[ . 1 . 2]" 1 1136 1 53 PHE QE 1 64 VAL QG . . 3.290 2.406 2.264 2.489 . 0 0 "[ . 1 . 2]" 1 1137 1 53 PHE QE 1 66 TYR H . . 5.180 4.886 4.193 5.262 0.082 10 0 "[ . 1 . 2]" 1 1138 1 53 PHE QE 1 70 LEU QD . . 3.990 2.982 2.472 3.433 . 0 0 "[ . 1 . 2]" 1 1139 1 53 PHE QE 1 74 PHE QE . . 3.910 2.937 2.624 3.157 . 0 0 "[ . 1 . 2]" 1 1140 1 53 PHE QE 1 74 PHE HZ . . 4.170 3.461 3.086 4.066 . 0 0 "[ . 1 . 2]" 1 1141 1 53 PHE QE 1 80 VAL QG . . 3.360 2.363 2.008 2.729 . 0 0 "[ . 1 . 2]" 1 1142 1 53 PHE QE 1 97 VAL QG . . 3.460 2.208 1.992 2.662 . 0 0 "[ . 1 . 2]" 1 1143 1 54 THR H 1 54 THR HB . . 3.820 2.739 2.562 2.888 . 0 0 "[ . 1 . 2]" 1 1144 1 54 THR H 1 54 THR MG . . 4.500 3.933 3.834 4.006 . 0 0 "[ . 1 . 2]" 1 1145 1 54 THR H 1 55 ILE H . . 5.130 4.390 4.315 4.527 . 0 0 "[ . 1 . 2]" 1 1146 1 54 THR H 1 55 ILE MG . . 5.250 4.886 4.510 5.348 0.098 12 0 "[ . 1 . 2]" 1 1147 1 54 THR HA 1 54 THR MG . . 3.690 2.409 2.288 2.599 . 0 0 "[ . 1 . 2]" 1 1148 1 54 THR HA 1 55 ILE H . . 3.310 2.269 2.171 2.332 . 0 0 "[ . 1 . 2]" 1 1149 1 54 THR HA 1 55 ILE MD . . 5.270 4.904 4.694 5.137 . 0 0 "[ . 1 . 2]" 1 1150 1 54 THR HA 1 55 ILE MG . . 5.100 4.793 4.433 5.200 0.100 12 0 "[ . 1 . 2]" 1 1151 1 54 THR HA 1 62 VAL QG . . 5.500 4.287 4.163 4.400 . 0 0 "[ . 1 . 2]" 1 1152 1 54 THR HA 1 63 ASP H . . 5.320 4.893 4.684 5.171 . 0 0 "[ . 1 . 2]" 1 1153 1 54 THR HA 1 63 ASP HA . . 4.810 2.456 2.129 2.984 . 0 0 "[ . 1 . 2]" 1 1154 1 54 THR HA 1 64 VAL H . . 3.860 3.261 2.869 3.456 . 0 0 "[ . 1 . 2]" 1 1155 1 54 THR HA 1 64 VAL QG . . 4.060 3.384 3.016 3.970 . 0 0 "[ . 1 . 2]" 1 1156 1 54 THR HB 1 55 ILE H . . 4.660 3.910 3.727 4.075 . 0 0 "[ . 1 . 2]" 1 1157 1 54 THR MG 1 55 ILE H . . 3.400 2.406 2.215 2.492 . 0 0 "[ . 1 . 2]" 1 1158 1 54 THR MG 1 56 TYR H . . 5.500 4.641 4.370 4.790 . 0 0 "[ . 1 . 2]" 1 1159 1 54 THR MG 1 56 TYR HA . . 4.430 4.484 4.324 4.533 0.103 13 0 "[ . 1 . 2]" 1 1160 1 54 THR MG 1 56 TYR HB2 . . 5.500 4.943 4.426 5.186 . 0 0 "[ . 1 . 2]" 1 1161 1 54 THR MG 1 56 TYR HB3 . . 4.300 3.594 3.031 3.870 . 0 0 "[ . 1 . 2]" 1 1162 1 54 THR MG 1 56 TYR QD . . 5.500 4.287 3.744 4.565 . 0 0 "[ . 1 . 2]" 1 1163 1 54 THR MG 1 61 SER HA . . 4.060 4.095 3.959 4.152 0.092 13 0 "[ . 1 . 2]" 1 1164 1 54 THR MG 1 61 SER HB2 . . 4.230 2.383 2.166 2.788 . 0 0 "[ . 1 . 2]" 1 1165 1 54 THR MG 1 61 SER HB3 . . 4.200 3.740 3.454 4.214 0.014 13 0 "[ . 1 . 2]" 1 1166 1 54 THR MG 1 62 VAL H . . 3.630 2.930 2.803 3.076 . 0 0 "[ . 1 . 2]" 1 1167 1 54 THR MG 1 62 VAL HA . . 5.500 3.963 3.759 4.282 . 0 0 "[ . 1 . 2]" 1 1168 1 54 THR MG 1 63 ASP H . . 5.500 4.116 3.760 4.626 . 0 0 "[ . 1 . 2]" 1 1169 1 54 THR MG 1 63 ASP HA . . 4.230 2.945 2.587 3.445 . 0 0 "[ . 1 . 2]" 1 1170 1 54 THR MG 1 64 VAL H . . 4.750 4.697 4.427 4.849 0.099 14 0 "[ . 1 . 2]" 1 1171 1 55 ILE H 1 55 ILE HB . . 3.450 3.405 3.091 3.527 0.077 16 0 "[ . 1 . 2]" 1 1172 1 55 ILE H 1 55 ILE MD . . 4.180 3.898 3.745 3.973 . 0 0 "[ . 1 . 2]" 1 1173 1 55 ILE H 1 55 ILE QG . . 3.940 2.228 2.072 2.467 . 0 0 "[ . 1 . 2]" 1 1174 1 55 ILE H 1 55 ILE MG . . 4.020 3.747 3.592 3.907 . 0 0 "[ . 1 . 2]" 1 1175 1 55 ILE H 1 56 TYR H . . 5.310 4.357 4.274 4.424 . 0 0 "[ . 1 . 2]" 1 1176 1 55 ILE H 1 62 VAL H . . 3.860 2.778 2.678 2.900 . 0 0 "[ . 1 . 2]" 1 1177 1 55 ILE H 1 62 VAL QG . . 4.200 3.056 2.856 3.159 . 0 0 "[ . 1 . 2]" 1 1178 1 55 ILE H 1 63 ASP H . . 5.500 5.064 4.938 5.272 . 0 0 "[ . 1 . 2]" 1 1179 1 55 ILE H 1 63 ASP HA . . 4.170 3.827 3.479 4.210 0.040 8 0 "[ . 1 . 2]" 1 1180 1 55 ILE H 1 64 VAL H . . 5.240 4.880 4.658 5.231 . 0 0 "[ . 1 . 2]" 1 1181 1 55 ILE H 1 64 VAL QG . . 4.120 3.529 3.309 3.781 . 0 0 "[ . 1 . 2]" 1 1182 1 55 ILE HA 1 55 ILE MG . . 3.550 2.177 2.124 2.232 . 0 0 "[ . 1 . 2]" 1 1183 1 55 ILE HA 1 56 TYR H . . 3.350 2.266 2.176 2.354 . 0 0 "[ . 1 . 2]" 1 1184 1 55 ILE HA 1 56 TYR QD . . 3.880 3.142 2.981 3.333 . 0 0 "[ . 1 . 2]" 1 1185 1 55 ILE HA 1 56 TYR QE . . 4.640 4.719 4.676 4.738 0.098 16 0 "[ . 1 . 2]" 1 1186 1 55 ILE HA 1 64 VAL QG . . 4.960 4.826 4.671 4.968 0.008 12 0 "[ . 1 . 2]" 1 1187 1 55 ILE HB 1 55 ILE MD . . 3.370 2.230 2.133 2.299 . 0 0 "[ . 1 . 2]" 1 1188 1 55 ILE HB 1 56 TYR H . . 4.200 3.273 3.086 3.677 . 0 0 "[ . 1 . 2]" 1 1189 1 55 ILE HB 1 56 TYR HA . . 4.940 4.351 4.090 4.644 . 0 0 "[ . 1 . 2]" 1 1190 1 55 ILE HB 1 62 VAL H . . 5.500 4.300 3.777 4.661 . 0 0 "[ . 1 . 2]" 1 1191 1 55 ILE HB 1 62 VAL QG . . 3.670 3.021 2.274 3.429 . 0 0 "[ . 1 . 2]" 1 1192 1 55 ILE HB 1 64 VAL QG . . 4.140 4.114 3.890 4.200 0.060 7 0 "[ . 1 . 2]" 1 1193 1 55 ILE MD 1 55 ILE MG . . 3.060 2.069 2.028 2.107 . 0 0 "[ . 1 . 2]" 1 1194 1 55 ILE MD 1 56 TYR H . . 5.240 4.981 4.780 5.184 . 0 0 "[ . 1 . 2]" 1 1195 1 55 ILE MD 1 62 VAL H . . 4.790 4.771 4.435 4.900 0.110 16 0 "[ . 1 . 2]" 1 1196 1 55 ILE MD 1 82 VAL HA . . 5.480 4.902 4.507 5.194 . 0 0 "[ . 1 . 2]" 1 1197 1 55 ILE MD 1 82 VAL HB . . 4.260 2.980 2.302 4.322 0.062 13 0 "[ . 1 . 2]" 1 1198 1 55 ILE QG 1 56 TYR H . . 5.500 4.562 4.488 4.663 . 0 0 "[ . 1 . 2]" 1 1199 1 55 ILE QG 1 62 VAL H . . 4.990 3.697 3.366 4.507 . 0 0 "[ . 1 . 2]" 1 1200 1 55 ILE QG 1 62 VAL QG . . 3.810 2.251 1.965 3.002 . 0 0 "[ . 1 . 2]" 1 1201 1 55 ILE QG 1 64 VAL QG . . 3.950 2.005 1.953 2.138 . 0 0 "[ . 1 . 2]" 1 1202 1 55 ILE MG 1 56 TYR H . . 3.920 2.952 2.205 3.328 . 0 0 "[ . 1 . 2]" 1 1203 1 55 ILE MG 1 56 TYR HA . . 5.500 4.987 4.255 5.358 . 0 0 "[ . 1 . 2]" 1 1204 1 55 ILE MG 1 56 TYR QD . . 4.410 4.312 4.015 4.520 0.110 16 0 "[ . 1 . 2]" 1 1205 1 55 ILE MG 1 56 TYR QE . . 5.350 5.048 4.766 5.173 . 0 0 "[ . 1 . 2]" 1 1206 1 55 ILE MG 1 64 VAL QG . . 3.720 3.478 3.252 3.788 0.068 12 0 "[ . 1 . 2]" 1 1207 1 56 TYR H 1 56 TYR QD . . 3.570 2.397 2.116 2.520 . 0 0 "[ . 1 . 2]" 1 1208 1 56 TYR H 1 56 TYR QE . . 4.320 4.002 3.842 4.169 . 0 0 "[ . 1 . 2]" 1 1209 1 56 TYR H 1 57 ASP H . . 4.910 4.319 4.229 4.388 . 0 0 "[ . 1 . 2]" 1 1210 1 56 TYR H 1 61 SER HA . . 5.500 4.644 4.510 4.719 . 0 0 "[ . 1 . 2]" 1 1211 1 56 TYR H 1 61 SER HB3 . . 5.500 4.995 4.784 5.485 . 0 0 "[ . 1 . 2]" 1 1212 1 56 TYR H 1 62 VAL QG . . 5.500 4.834 4.388 5.012 . 0 0 "[ . 1 . 2]" 1 1213 1 56 TYR HA 1 56 TYR QD . . 4.070 3.732 3.702 3.761 . 0 0 "[ . 1 . 2]" 1 1214 1 56 TYR HA 1 57 ASP H . . 3.360 2.501 2.406 2.654 . 0 0 "[ . 1 . 2]" 1 1215 1 56 TYR HA 1 57 ASP HA . . 5.500 4.605 4.554 4.656 . 0 0 "[ . 1 . 2]" 1 1216 1 56 TYR HA 1 60 GLY H . . 5.060 4.803 4.535 5.022 . 0 0 "[ . 1 . 2]" 1 1217 1 56 TYR HA 1 61 SER H . . 5.080 4.603 4.499 4.732 . 0 0 "[ . 1 . 2]" 1 1218 1 56 TYR HA 1 61 SER HA . . 4.420 2.030 1.922 2.106 . 0 0 "[ . 1 . 2]" 1 1219 1 56 TYR HA 1 61 SER HB2 . . 5.500 3.094 2.823 3.413 . 0 0 "[ . 1 . 2]" 1 1220 1 56 TYR HA 1 61 SER HB3 . . 4.860 2.872 2.598 3.391 . 0 0 "[ . 1 . 2]" 1 1221 1 56 TYR HA 1 62 VAL H . . 4.410 3.601 3.471 3.712 . 0 0 "[ . 1 . 2]" 1 1222 1 56 TYR HA 1 62 VAL QG . . 5.120 4.006 3.656 4.360 . 0 0 "[ . 1 . 2]" 1 1223 1 56 TYR HB2 1 57 ASP H . . 3.620 2.255 2.183 2.364 . 0 0 "[ . 1 . 2]" 1 1224 1 56 TYR HB2 1 61 SER HA . . 5.070 3.562 3.209 3.732 . 0 0 "[ . 1 . 2]" 1 1225 1 56 TYR HB2 1 61 SER HB3 . . 4.930 2.447 2.231 2.891 . 0 0 "[ . 1 . 2]" 1 1226 1 56 TYR HB3 1 57 ASP H . . 3.940 3.708 3.633 3.802 . 0 0 "[ . 1 . 2]" 1 1227 1 56 TYR HB3 1 61 SER HA . . 4.730 3.549 3.247 3.710 . 0 0 "[ . 1 . 2]" 1 1228 1 56 TYR HB3 1 61 SER HB2 . . 5.240 2.623 2.481 2.879 . 0 0 "[ . 1 . 2]" 1 1229 1 56 TYR HB3 1 61 SER HB3 . . 5.500 2.372 2.221 2.708 . 0 0 "[ . 1 . 2]" 1 1230 1 56 TYR QD 1 57 ASP H . . 4.080 2.715 2.649 2.816 . 0 0 "[ . 1 . 2]" 1 1231 1 56 TYR QD 1 57 ASP HA . . 4.010 3.268 2.898 3.762 . 0 0 "[ . 1 . 2]" 1 1232 1 56 TYR QD 1 61 SER HA . . 5.050 5.088 4.905 5.153 0.103 18 0 "[ . 1 . 2]" 1 1233 1 56 TYR QD 1 61 SER HB3 . . 5.070 4.305 4.108 4.627 . 0 0 "[ . 1 . 2]" 1 1234 1 56 TYR QE 1 57 ASP H . . 4.690 4.774 4.744 4.786 0.096 17 0 "[ . 1 . 2]" 1 1235 1 56 TYR QE 1 77 GLY H . . 5.020 4.787 4.215 5.097 0.077 2 0 "[ . 1 . 2]" 1 1236 1 56 TYR QE 1 77 GLY HA2 . . 4.440 3.765 3.189 4.531 0.091 8 0 "[ . 1 . 2]" 1 1237 1 57 ASP H 1 58 ALA MB . . 5.500 5.372 5.192 5.466 . 0 0 "[ . 1 . 2]" 1 1238 1 57 ASP H 1 59 GLU H . . 4.440 3.477 3.166 3.913 . 0 0 "[ . 1 . 2]" 1 1239 1 57 ASP H 1 60 GLY H . . 3.630 3.610 3.345 3.702 0.072 9 0 "[ . 1 . 2]" 1 1240 1 57 ASP H 1 61 SER HA . . 4.180 3.878 3.718 4.101 . 0 0 "[ . 1 . 2]" 1 1241 1 57 ASP H 1 61 SER HB2 . . 4.970 5.049 5.029 5.059 0.089 3 0 "[ . 1 . 2]" 1 1242 1 57 ASP H 1 61 SER HB3 . . 4.560 3.985 3.714 4.480 . 0 0 "[ . 1 . 2]" 1 1243 1 57 ASP HB2 1 58 ALA H . . 3.650 3.566 1.952 3.721 0.071 19 0 "[ . 1 . 2]" 1 1244 1 57 ASP HB2 1 58 ALA MB . . 5.180 5.079 3.625 5.232 0.052 8 0 "[ . 1 . 2]" 1 1245 1 57 ASP HB2 1 59 GLU H . . 5.290 4.404 3.790 4.803 . 0 0 "[ . 1 . 2]" 1 1246 1 57 ASP HB3 1 58 ALA H . . 3.920 2.677 1.922 3.502 . 0 0 "[ . 1 . 2]" 1 1247 1 57 ASP HB3 1 58 ALA MB . . 4.790 4.139 3.782 5.037 0.247 14 0 "[ . 1 . 2]" 1 1248 1 57 ASP HB3 1 59 GLU H . . 5.340 2.976 2.315 4.501 . 0 0 "[ . 1 . 2]" 1 1249 1 58 ALA H 1 58 ALA MB . . 3.210 2.179 2.125 2.269 . 0 0 "[ . 1 . 2]" 1 1250 1 58 ALA H 1 59 GLU H . . 4.120 2.887 2.299 3.140 . 0 0 "[ . 1 . 2]" 1 1251 1 58 ALA H 1 59 GLU HG2 . . 5.250 3.449 2.426 3.982 . 0 0 "[ . 1 . 2]" 1 1252 1 58 ALA H 1 59 GLU HG3 . . 5.170 5.005 3.929 5.330 0.160 9 0 "[ . 1 . 2]" 1 1253 1 58 ALA H 1 60 GLY H . . 5.270 5.052 4.445 5.331 0.061 11 0 "[ . 1 . 2]" 1 1254 1 58 ALA MB 1 59 GLU H . . 3.730 3.311 2.984 3.562 . 0 0 "[ . 1 . 2]" 1 1255 1 58 ALA MB 1 59 GLU HA . . 4.390 4.059 3.619 4.285 . 0 0 "[ . 1 . 2]" 1 1256 1 58 ALA MB 1 59 GLU HG2 . . 4.670 3.321 2.584 4.223 . 0 0 "[ . 1 . 2]" 1 1257 1 58 ALA MB 1 59 GLU HG3 . . 4.260 4.525 4.008 4.780 0.520 1 2 "[+ . 1 - 2]" 1 1258 1 58 ALA MB 1 60 GLY H . . 5.500 5.309 5.002 5.558 0.058 11 0 "[ . 1 . 2]" 1 1259 1 59 GLU H 1 59 GLU QB . . 3.160 2.893 2.528 3.250 0.090 13 0 "[ . 1 . 2]" 1 1260 1 59 GLU H 1 59 GLU HG2 . . 4.540 2.299 1.944 2.640 . 0 0 "[ . 1 . 2]" 1 1261 1 59 GLU H 1 59 GLU HG3 . . 3.550 3.658 2.699 4.048 0.498 11 0 "[ . 1 . 2]" 1 1262 1 59 GLU H 1 60 GLY H . . 2.880 2.459 2.295 2.628 . 0 0 "[ . 1 . 2]" 1 1263 1 59 GLU H 1 60 GLY HA2 . . 4.590 4.630 4.470 4.674 0.084 9 0 "[ . 1 . 2]" 1 1264 1 59 GLU H 1 60 GLY HA3 . . 5.140 4.887 4.759 5.002 . 0 0 "[ . 1 . 2]" 1 1265 1 59 GLU HA 1 59 GLU HG2 . . 4.010 3.511 3.124 3.816 . 0 0 "[ . 1 . 2]" 1 1266 1 59 GLU HA 1 59 GLU HG3 . . 4.150 4.031 3.891 4.096 . 0 0 "[ . 1 . 2]" 1 1267 1 59 GLU QB 1 60 GLY H . . 3.430 2.131 1.706 3.023 . 0 0 "[ . 1 . 2]" 1 1268 1 59 GLU HG2 1 60 GLY H . . 3.760 3.285 2.534 3.916 0.156 14 0 "[ . 1 . 2]" 1 1269 1 59 GLU HG3 1 60 GLY H . . 3.840 3.745 1.817 3.930 0.090 12 0 "[ . 1 . 2]" 1 1270 1 60 GLY H 1 61 SER H . . 4.260 4.274 4.169 4.334 0.074 8 0 "[ . 1 . 2]" 1 1271 1 60 GLY H 1 61 SER HA . . 5.500 4.643 4.376 4.898 . 0 0 "[ . 1 . 2]" 1 1272 1 60 GLY HA2 1 61 SER H . . 3.140 2.858 2.597 3.018 . 0 0 "[ . 1 . 2]" 1 1273 1 60 GLY HA3 1 61 SER H . . 3.040 2.423 2.339 2.500 . 0 0 "[ . 1 . 2]" 1 1274 1 61 SER H 1 61 SER HB3 . . 3.510 3.329 3.142 3.481 . 0 0 "[ . 1 . 2]" 1 1275 1 61 SER H 1 62 VAL H . . 4.430 4.419 4.323 4.474 0.044 12 0 "[ . 1 . 2]" 1 1276 1 61 SER H 1 62 VAL QG . . 5.500 4.080 3.582 5.029 . 0 0 "[ . 1 . 2]" 1 1277 1 61 SER HA 1 62 VAL H . . 3.280 2.407 2.294 2.506 . 0 0 "[ . 1 . 2]" 1 1278 1 61 SER HA 1 62 VAL HA . . 5.500 4.528 4.455 4.596 . 0 0 "[ . 1 . 2]" 1 1279 1 61 SER HA 1 62 VAL QG . . 4.350 3.202 2.845 3.754 . 0 0 "[ . 1 . 2]" 1 1280 1 61 SER HB2 1 62 VAL H . . 3.540 2.586 2.480 2.792 . 0 0 "[ . 1 . 2]" 1 1281 1 61 SER HB2 1 62 VAL QG . . 4.420 4.163 3.994 4.392 . 0 0 "[ . 1 . 2]" 1 1282 1 61 SER HB3 1 62 VAL H . . 4.070 3.912 3.785 4.024 . 0 0 "[ . 1 . 2]" 1 1283 1 62 VAL H 1 62 VAL HB . . 3.940 3.666 3.009 3.898 . 0 0 "[ . 1 . 2]" 1 1284 1 62 VAL H 1 62 VAL QG . . 3.460 2.223 2.013 2.321 . 0 0 "[ . 1 . 2]" 1 1285 1 62 VAL H 1 63 ASP H . . 4.810 4.320 4.139 4.450 . 0 0 "[ . 1 . 2]" 1 1286 1 62 VAL HA 1 62 VAL QG . . 3.260 2.324 2.247 2.386 . 0 0 "[ . 1 . 2]" 1 1287 1 62 VAL HA 1 63 ASP H . . 3.060 2.221 2.088 2.361 . 0 0 "[ . 1 . 2]" 1 1288 1 62 VAL HA 1 63 ASP HA . . 4.300 4.369 4.341 4.382 0.082 3 0 "[ . 1 . 2]" 1 1289 1 62 VAL HB 1 63 ASP H . . 3.800 3.058 2.616 3.895 0.095 10 0 "[ . 1 . 2]" 1 1290 1 62 VAL HB 1 92 ILE MD . . 4.700 3.941 3.453 4.787 0.087 14 0 "[ . 1 . 2]" 1 1291 1 62 VAL HB 1 92 ILE QG . . 5.230 3.410 2.618 4.729 . 0 0 "[ . 1 . 2]" 1 1292 1 62 VAL QG 1 63 ASP H . . 3.840 3.046 2.063 3.461 . 0 0 "[ . 1 . 2]" 1 1293 1 62 VAL QG 1 63 ASP HA . . 5.340 4.069 3.791 4.380 . 0 0 "[ . 1 . 2]" 1 1294 1 62 VAL QG 1 90 ASN HB2 . . 4.370 3.156 2.286 4.075 . 0 0 "[ . 1 . 2]" 1 1295 1 62 VAL QG 1 90 ASN HB3 . . 4.050 2.267 1.991 2.970 . 0 0 "[ . 1 . 2]" 1 1296 1 62 VAL QG 1 91 HIS HA . . 5.500 3.829 2.542 4.523 . 0 0 "[ . 1 . 2]" 1 1297 1 62 VAL QG 1 92 ILE H . . 4.920 3.883 3.027 4.429 . 0 0 "[ . 1 . 2]" 1 1298 1 62 VAL QG 1 92 ILE QG . . 3.760 2.580 2.024 3.204 . 0 0 "[ . 1 . 2]" 1 1299 1 63 ASP H 1 63 ASP HB2 . . 3.560 2.318 2.129 2.514 . 0 0 "[ . 1 . 2]" 1 1300 1 63 ASP H 1 63 ASP HB3 . . 3.860 3.511 3.229 3.668 . 0 0 "[ . 1 . 2]" 1 1301 1 63 ASP H 1 64 VAL H . . 4.640 4.652 4.554 4.699 0.059 6 0 "[ . 1 . 2]" 1 1302 1 63 ASP H 1 64 VAL QG . . 4.810 4.440 4.195 4.693 . 0 0 "[ . 1 . 2]" 1 1303 1 63 ASP H 1 90 ASN HB3 . . 5.500 4.549 3.941 5.286 . 0 0 "[ . 1 . 2]" 1 1304 1 63 ASP H 1 91 HIS H . . 5.500 4.887 4.654 5.287 . 0 0 "[ . 1 . 2]" 1 1305 1 63 ASP H 1 91 HIS HA . . 3.850 2.742 2.446 2.973 . 0 0 "[ . 1 . 2]" 1 1306 1 63 ASP H 1 91 HIS HD2 . . 4.760 4.458 4.082 4.677 . 0 0 "[ . 1 . 2]" 1 1307 1 63 ASP H 1 92 ILE H . . 4.830 4.113 3.838 4.420 . 0 0 "[ . 1 . 2]" 1 1308 1 63 ASP H 1 92 ILE QG . . 5.000 4.406 3.992 4.879 . 0 0 "[ . 1 . 2]" 1 1309 1 63 ASP HA 1 64 VAL H . . 3.280 2.366 2.256 2.452 . 0 0 "[ . 1 . 2]" 1 1310 1 63 ASP HA 1 64 VAL QG . . 4.100 3.529 3.233 3.966 . 0 0 "[ . 1 . 2]" 1 1311 1 63 ASP HB2 1 64 VAL H . . 4.400 4.137 3.674 4.395 . 0 0 "[ . 1 . 2]" 1 1312 1 63 ASP HB2 1 91 HIS HA . . 4.720 2.620 2.106 3.408 . 0 0 "[ . 1 . 2]" 1 1313 1 63 ASP HB2 1 91 HIS HB3 . . 4.240 4.210 3.884 4.721 0.481 20 0 "[ . 1 . 2]" 1 1314 1 63 ASP HB2 1 91 HIS HD2 . . 3.680 3.434 2.874 3.768 0.088 19 0 "[ . 1 . 2]" 1 1315 1 63 ASP HB3 1 64 VAL H . . 4.060 2.960 2.427 3.275 . 0 0 "[ . 1 . 2]" 1 1316 1 63 ASP HB3 1 91 HIS HA . . 4.970 3.517 2.403 4.729 . 0 0 "[ . 1 . 2]" 1 1317 1 63 ASP HB3 1 91 HIS HD2 . . 3.800 3.032 2.320 3.842 0.042 3 0 "[ . 1 . 2]" 1 1318 1 63 ASP HB3 1 91 HIS HE1 . . 5.090 5.088 4.704 5.178 0.088 20 0 "[ . 1 . 2]" 1 1319 1 63 ASP HB3 1 92 ILE H . . 5.500 4.292 3.479 5.113 . 0 0 "[ . 1 . 2]" 1 1320 1 64 VAL H 1 64 VAL HB . . 3.800 3.317 2.716 3.868 0.068 13 0 "[ . 1 . 2]" 1 1321 1 64 VAL H 1 64 VAL QG . . 3.380 2.609 2.217 3.086 . 0 0 "[ . 1 . 2]" 1 1322 1 64 VAL H 1 65 SER H . . 4.960 4.226 3.912 4.432 . 0 0 "[ . 1 . 2]" 1 1323 1 64 VAL H 1 91 HIS HD2 . . 4.700 3.931 3.806 4.070 . 0 0 "[ . 1 . 2]" 1 1324 1 64 VAL HA 1 64 VAL QG . . 3.170 2.311 2.113 2.542 . 0 0 "[ . 1 . 2]" 1 1325 1 64 VAL HA 1 92 ILE HB . . 4.990 2.897 2.396 3.273 . 0 0 "[ . 1 . 2]" 1 1326 1 64 VAL HB 1 65 SER H . . 5.500 3.650 2.829 4.495 . 0 0 "[ . 1 . 2]" 1 1327 1 64 VAL HB 1 92 ILE HB . . 5.500 4.123 3.045 5.307 . 0 0 "[ . 1 . 2]" 1 1328 1 64 VAL QG 1 65 SER H . . 3.490 3.077 2.710 3.416 . 0 0 "[ . 1 . 2]" 1 1329 1 64 VAL QG 1 65 SER HA . . 4.250 3.587 3.099 3.926 . 0 0 "[ . 1 . 2]" 1 1330 1 64 VAL QG 1 66 TYR H . . 4.740 3.748 3.287 4.088 . 0 0 "[ . 1 . 2]" 1 1331 1 64 VAL QG 1 66 TYR HA . . 5.360 4.376 3.621 5.043 . 0 0 "[ . 1 . 2]" 1 1332 1 64 VAL QG 1 66 TYR HB2 . . 4.420 3.066 2.470 3.465 . 0 0 "[ . 1 . 2]" 1 1333 1 64 VAL QG 1 66 TYR HB3 . . 4.260 3.809 3.353 4.195 . 0 0 "[ . 1 . 2]" 1 1334 1 64 VAL QG 1 66 TYR QD . . 4.800 4.566 4.128 4.817 0.017 20 0 "[ . 1 . 2]" 1 1335 1 64 VAL QG 1 82 VAL H . . 5.060 4.845 4.689 5.021 . 0 0 "[ . 1 . 2]" 1 1336 1 64 VAL QG 1 82 VAL HB . . 4.990 3.297 2.917 3.600 . 0 0 "[ . 1 . 2]" 1 1337 1 64 VAL QG 1 82 VAL QG . . 3.090 1.853 1.708 2.046 . 0 0 "[ . 1 . 2]" 1 1338 1 64 VAL QG 1 91 HIS HD2 . . 4.710 3.828 3.663 4.177 . 0 0 "[ . 1 . 2]" 1 1339 1 64 VAL QG 1 92 ILE HB . . 3.130 2.347 2.086 3.031 . 0 0 "[ . 1 . 2]" 1 1340 1 64 VAL QG 1 92 ILE QG . . 4.060 2.761 2.482 3.284 . 0 0 "[ . 1 . 2]" 1 1341 1 64 VAL QG 1 94 ALA H . . 4.580 3.405 2.356 4.410 . 0 0 "[ . 1 . 2]" 1 1342 1 64 VAL QG 1 94 ALA HA . . 5.320 4.220 3.613 4.932 . 0 0 "[ . 1 . 2]" 1 1343 1 64 VAL QG 1 94 ALA MB . . 3.080 2.426 1.863 2.977 . 0 0 "[ . 1 . 2]" 1 1344 1 65 SER H 1 65 SER HB2 . . 4.160 2.752 2.262 3.835 . 0 0 "[ . 1 . 2]" 1 1345 1 65 SER H 1 66 TYR H . . 4.980 4.339 4.098 4.544 . 0 0 "[ . 1 . 2]" 1 1346 1 65 SER H 1 91 HIS HD2 . . 4.330 3.020 2.665 3.539 . 0 0 "[ . 1 . 2]" 1 1347 1 65 SER H 1 91 HIS HE1 . . 5.190 4.478 4.091 4.913 . 0 0 "[ . 1 . 2]" 1 1348 1 65 SER H 1 92 ILE H . . 4.460 4.096 3.890 4.381 . 0 0 "[ . 1 . 2]" 1 1349 1 65 SER H 1 92 ILE HB . . 4.460 4.178 3.799 4.497 0.037 14 0 "[ . 1 . 2]" 1 1350 1 65 SER H 1 92 ILE MG . . 5.100 4.729 4.156 5.135 0.035 14 0 "[ . 1 . 2]" 1 1351 1 65 SER H 1 93 LEU MD2 . . 4.650 4.198 3.648 4.702 0.052 15 0 "[ . 1 . 2]" 1 1352 1 65 SER H 1 94 ALA H . . 4.050 3.055 2.554 3.674 . 0 0 "[ . 1 . 2]" 1 1353 1 65 SER H 1 94 ALA MB . . 4.130 3.917 3.383 4.218 0.088 8 0 "[ . 1 . 2]" 1 1354 1 65 SER HA 1 66 TYR H . . 3.180 2.235 2.070 2.333 . 0 0 "[ . 1 . 2]" 1 1355 1 65 SER HA 1 91 HIS HE1 . . 4.970 5.026 4.728 5.060 0.090 4 0 "[ . 1 . 2]" 1 1356 1 65 SER HA 1 94 ALA MB . . 5.030 4.813 4.435 5.079 0.049 14 0 "[ . 1 . 2]" 1 1357 1 65 SER HB2 1 66 TYR H . . 4.630 4.216 3.002 4.594 . 0 0 "[ . 1 . 2]" 1 1358 1 65 SER HB2 1 91 HIS HE1 . . 3.890 3.070 2.372 4.280 0.390 2 0 "[ . 1 . 2]" 1 1359 1 65 SER HB2 1 93 LEU MD1 . . 4.620 2.633 2.032 3.559 . 0 0 "[ . 1 . 2]" 1 1360 1 65 SER HB2 1 93 LEU MD2 . . 5.500 3.865 3.111 4.550 . 0 0 "[ . 1 . 2]" 1 1361 1 65 SER HB3 1 66 TYR H . . 4.230 3.760 3.253 4.166 . 0 0 "[ . 1 . 2]" 1 1362 1 65 SER HB3 1 93 LEU MD1 . . 4.250 2.766 2.065 4.035 . 0 0 "[ . 1 . 2]" 1 1363 1 65 SER HB3 1 93 LEU MD2 . . 4.440 4.315 3.675 4.541 0.101 13 0 "[ . 1 . 2]" 1 1364 1 65 SER HB3 1 94 ALA H . . 5.450 4.597 3.600 5.594 0.144 4 0 "[ . 1 . 2]" 1 1365 1 66 TYR H 1 66 TYR HB2 . . 3.950 3.183 2.961 3.352 . 0 0 "[ . 1 . 2]" 1 1366 1 66 TYR H 1 66 TYR HB3 . . 3.830 2.645 2.532 2.823 . 0 0 "[ . 1 . 2]" 1 1367 1 66 TYR H 1 66 TYR QD . . 4.250 4.349 4.326 4.364 0.114 15 0 "[ . 1 . 2]" 1 1368 1 66 TYR H 1 67 GLU H . . 4.860 4.353 4.280 4.472 . 0 0 "[ . 1 . 2]" 1 1369 1 66 TYR H 1 94 ALA MB . . 4.710 4.111 3.802 4.415 . 0 0 "[ . 1 . 2]" 1 1370 1 66 TYR H 1 97 VAL QG . . 5.460 4.924 4.562 5.370 . 0 0 "[ . 1 . 2]" 1 1371 1 66 TYR HA 1 66 TYR QD . . 3.350 2.265 2.089 2.387 . 0 0 "[ . 1 . 2]" 1 1372 1 66 TYR HA 1 66 TYR QE . . 4.500 4.525 4.355 4.590 0.090 11 0 "[ . 1 . 2]" 1 1373 1 66 TYR HA 1 67 GLU H . . 3.100 2.468 2.336 2.548 . 0 0 "[ . 1 . 2]" 1 1374 1 66 TYR HA 1 94 ALA H . . 4.480 3.586 3.119 4.211 . 0 0 "[ . 1 . 2]" 1 1375 1 66 TYR HA 1 94 ALA MB . . 3.910 2.585 2.235 2.949 . 0 0 "[ . 1 . 2]" 1 1376 1 66 TYR HA 1 97 VAL QG . . 4.700 4.077 3.768 4.693 . 0 0 "[ . 1 . 2]" 1 1377 1 66 TYR HB2 1 67 GLU H . . 4.500 3.841 3.692 3.992 . 0 0 "[ . 1 . 2]" 1 1378 1 66 TYR HB2 1 70 LEU QD . . 5.030 4.050 3.687 4.247 . 0 0 "[ . 1 . 2]" 1 1379 1 66 TYR HB2 1 94 ALA H . . 5.430 4.154 3.908 4.597 . 0 0 "[ . 1 . 2]" 1 1380 1 66 TYR HB2 1 94 ALA MB . . 4.320 2.077 1.944 2.335 . 0 0 "[ . 1 . 2]" 1 1381 1 66 TYR HB2 1 97 VAL QG . . 4.400 2.446 2.162 2.910 . 0 0 "[ . 1 . 2]" 1 1382 1 66 TYR HB3 1 67 GLU H . . 4.810 3.595 3.237 3.790 . 0 0 "[ . 1 . 2]" 1 1383 1 66 TYR HB3 1 70 LEU QD . . 4.500 3.544 3.393 3.710 . 0 0 "[ . 1 . 2]" 1 1384 1 66 TYR HB3 1 94 ALA MB . . 4.780 3.562 3.357 3.879 . 0 0 "[ . 1 . 2]" 1 1385 1 66 TYR HB3 1 97 VAL QG . . 4.550 3.191 2.872 3.842 . 0 0 "[ . 1 . 2]" 1 1386 1 66 TYR QD 1 67 GLU H . . 3.720 2.313 2.068 2.660 . 0 0 "[ . 1 . 2]" 1 1387 1 66 TYR QD 1 68 GLY H . . 4.350 3.985 3.536 4.354 0.004 13 0 "[ . 1 . 2]" 1 1388 1 66 TYR QD 1 68 GLY HA3 . . 4.750 4.360 3.928 4.841 0.091 17 0 "[ . 1 . 2]" 1 1389 1 66 TYR QD 1 69 ILE H . . 5.500 5.398 4.754 5.602 0.102 15 0 "[ . 1 . 2]" 1 1390 1 66 TYR QD 1 70 LEU H . . 5.500 4.826 4.109 5.579 0.079 5 0 "[ . 1 . 2]" 1 1391 1 66 TYR QD 1 70 LEU HA . . 4.320 4.042 3.641 4.369 0.049 3 0 "[ . 1 . 2]" 1 1392 1 66 TYR QD 1 70 LEU QD . . 3.560 2.162 1.933 2.453 . 0 0 "[ . 1 . 2]" 1 1393 1 66 TYR QD 1 70 LEU HG . . 5.500 3.933 2.320 5.154 . 0 0 "[ . 1 . 2]" 1 1394 1 66 TYR QD 1 71 PRO HD3 . . 5.340 5.169 4.892 5.385 0.045 18 0 "[ . 1 . 2]" 1 1395 1 66 TYR QD 1 94 ALA H . . 4.890 4.545 4.284 4.961 0.071 16 0 "[ . 1 . 2]" 1 1396 1 66 TYR QD 1 94 ALA MB . . 3.380 2.602 2.306 2.787 . 0 0 "[ . 1 . 2]" 1 1397 1 66 TYR QD 1 95 LYS H . . 5.500 4.261 4.003 4.612 . 0 0 "[ . 1 . 2]" 1 1398 1 66 TYR QD 1 96 GLU H . . 4.890 3.955 3.645 4.267 . 0 0 "[ . 1 . 2]" 1 1399 1 66 TYR QD 1 96 GLU HA . . 4.380 4.421 4.233 4.478 0.098 20 0 "[ . 1 . 2]" 1 1400 1 66 TYR QD 1 97 VAL H . . 5.250 4.775 4.310 5.320 0.070 11 0 "[ . 1 . 2]" 1 1401 1 66 TYR QD 1 97 VAL HB . . 5.500 3.766 3.287 4.124 . 0 0 "[ . 1 . 2]" 1 1402 1 66 TYR QD 1 97 VAL QG . . 3.680 2.703 2.421 3.277 . 0 0 "[ . 1 . 2]" 1 1403 1 66 TYR QE 1 67 GLU H . . 4.620 3.406 3.225 3.748 . 0 0 "[ . 1 . 2]" 1 1404 1 66 TYR QE 1 68 GLY H . . 4.620 4.068 3.773 4.386 . 0 0 "[ . 1 . 2]" 1 1405 1 66 TYR QE 1 68 GLY HA3 . . 4.500 3.142 2.709 3.664 . 0 0 "[ . 1 . 2]" 1 1406 1 66 TYR QE 1 69 ILE H . . 4.150 3.749 2.856 4.198 0.048 4 0 "[ . 1 . 2]" 1 1407 1 66 TYR QE 1 69 ILE HA . . 4.810 4.611 4.110 4.916 0.106 10 0 "[ . 1 . 2]" 1 1408 1 66 TYR QE 1 69 ILE MG . . 4.730 4.430 4.001 4.843 0.113 7 0 "[ . 1 . 2]" 1 1409 1 66 TYR QE 1 70 LEU H . . 4.840 3.094 1.973 4.094 . 0 0 "[ . 1 . 2]" 1 1410 1 66 TYR QE 1 70 LEU HA . . 3.890 2.304 2.078 2.669 . 0 0 "[ . 1 . 2]" 1 1411 1 66 TYR QE 1 70 LEU HB2 . . 4.860 3.767 2.739 4.767 . 0 0 "[ . 1 . 2]" 1 1412 1 66 TYR QE 1 70 LEU QD . . 3.570 2.443 2.183 2.765 . 0 0 "[ . 1 . 2]" 1 1413 1 66 TYR QE 1 70 LEU HG . . 5.000 3.765 2.269 5.011 0.011 10 0 "[ . 1 . 2]" 1 1414 1 66 TYR QE 1 71 PRO HD2 . . 4.920 4.702 4.358 4.972 0.052 8 0 "[ . 1 . 2]" 1 1415 1 66 TYR QE 1 71 PRO HD3 . . 4.360 3.663 3.492 3.821 . 0 0 "[ . 1 . 2]" 1 1416 1 66 TYR QE 1 71 PRO HG3 . . 5.500 5.595 5.578 5.610 0.110 3 0 "[ . 1 . 2]" 1 1417 1 66 TYR QE 1 94 ALA MB . . 4.060 4.123 3.913 4.197 0.137 20 0 "[ . 1 . 2]" 1 1418 1 66 TYR QE 1 95 LYS H . . 5.500 4.882 4.579 5.270 . 0 0 "[ . 1 . 2]" 1 1419 1 66 TYR QE 1 95 LYS QD . . 5.380 4.824 4.636 5.266 . 0 0 "[ . 1 . 2]" 1 1420 1 66 TYR QE 1 96 GLU H . . 4.830 3.689 3.269 3.968 . 0 0 "[ . 1 . 2]" 1 1421 1 66 TYR QE 1 96 GLU HA . . 3.570 2.530 2.385 2.688 . 0 0 "[ . 1 . 2]" 1 1422 1 66 TYR QE 1 96 GLU HB2 . . 4.810 4.839 4.725 4.896 0.086 17 0 "[ . 1 . 2]" 1 1423 1 66 TYR QE 1 96 GLU HB3 . . 4.650 4.604 4.442 4.745 0.095 11 0 "[ . 1 . 2]" 1 1424 1 66 TYR QE 1 97 VAL H . . 4.740 4.506 4.021 4.796 0.056 20 0 "[ . 1 . 2]" 1 1425 1 66 TYR QE 1 97 VAL QG . . 3.880 3.299 2.985 3.588 . 0 0 "[ . 1 . 2]" 1 1426 1 67 GLU H 1 67 GLU HB2 . . 3.820 3.487 3.344 3.636 . 0 0 "[ . 1 . 2]" 1 1427 1 67 GLU H 1 67 GLU HB3 . . 3.680 3.015 2.767 3.192 . 0 0 "[ . 1 . 2]" 1 1428 1 67 GLU H 1 67 GLU QG . . 4.420 4.122 4.012 4.268 . 0 0 "[ . 1 . 2]" 1 1429 1 67 GLU H 1 68 GLY H . . 4.460 3.607 3.333 3.875 . 0 0 "[ . 1 . 2]" 1 1430 1 67 GLU H 1 70 LEU QD . . 5.500 5.327 5.255 5.383 . 0 0 "[ . 1 . 2]" 1 1431 1 67 GLU H 1 94 ALA MB . . 4.530 4.242 3.910 4.615 0.085 14 0 "[ . 1 . 2]" 1 1432 1 67 GLU H 1 97 VAL QG . . 5.500 4.585 4.297 5.151 . 0 0 "[ . 1 . 2]" 1 1433 1 67 GLU HA 1 68 GLY H . . 2.900 2.196 2.124 2.286 . 0 0 "[ . 1 . 2]" 1 1434 1 67 GLU HB3 1 68 GLY H . . 5.500 4.499 4.368 4.580 . 0 0 "[ . 1 . 2]" 1 1435 1 67 GLU QG 1 68 GLY H . . 3.680 3.309 3.014 3.617 . 0 0 "[ . 1 . 2]" 1 1436 1 68 GLY H 1 69 ILE H . . 4.870 3.921 1.848 4.431 . 0 0 "[ . 1 . 2]" 1 1437 1 68 GLY H 1 69 ILE HA . . 5.500 4.566 3.824 5.075 . 0 0 "[ . 1 . 2]" 1 1438 1 68 GLY H 1 70 LEU H . . 5.500 5.063 4.178 5.579 0.079 20 0 "[ . 1 . 2]" 1 1439 1 68 GLY HA2 1 69 ILE HB . . 5.500 4.429 4.142 5.031 . 0 0 "[ . 1 . 2]" 1 1440 1 68 GLY HA2 1 69 ILE MG . . 5.500 4.452 3.810 5.606 0.106 7 0 "[ . 1 . 2]" 1 1441 1 68 GLY HA3 1 69 ILE MG . . 5.500 4.197 3.366 5.491 . 0 0 "[ . 1 . 2]" 1 1442 1 69 ILE H 1 69 ILE HB . . 2.990 2.725 2.395 3.075 0.085 4 0 "[ . 1 . 2]" 1 1443 1 69 ILE H 1 69 ILE MD . . 4.260 4.246 3.728 4.360 0.100 16 0 "[ . 1 . 2]" 1 1444 1 69 ILE H 1 69 ILE HG12 . . 4.640 4.454 2.998 4.900 0.260 17 0 "[ . 1 . 2]" 1 1445 1 69 ILE H 1 69 ILE HG13 . . 4.830 4.570 3.544 4.911 0.081 12 0 "[ . 1 . 2]" 1 1446 1 69 ILE H 1 69 ILE MG . . 3.800 2.450 1.857 3.900 0.100 4 0 "[ . 1 . 2]" 1 1447 1 69 ILE H 1 70 LEU H . . 5.500 3.311 1.889 4.438 . 0 0 "[ . 1 . 2]" 1 1448 1 69 ILE H 1 70 LEU QD . . 5.500 5.159 4.768 5.399 . 0 0 "[ . 1 . 2]" 1 1449 1 69 ILE HA 1 69 ILE MD . . 3.940 2.793 2.042 3.730 . 0 0 "[ . 1 . 2]" 1 1450 1 69 ILE HA 1 69 ILE MG . . 3.220 3.209 2.327 3.285 0.065 19 0 "[ . 1 . 2]" 1 1451 1 69 ILE HA 1 70 LEU H . . 3.590 2.678 2.041 3.440 . 0 0 "[ . 1 . 2]" 1 1452 1 69 ILE HB 1 70 LEU H . . 5.140 4.231 4.029 4.479 . 0 0 "[ . 1 . 2]" 1 1453 1 69 ILE HG12 1 69 ILE MG . . 3.530 2.789 2.243 3.255 . 0 0 "[ . 1 . 2]" 1 1454 1 69 ILE HG12 1 70 LEU H . . 5.500 4.465 3.067 5.626 0.126 17 0 "[ . 1 . 2]" 1 1455 1 69 ILE HG13 1 69 ILE MG . . 3.520 2.592 2.283 3.264 . 0 0 "[ . 1 . 2]" 1 1456 1 69 ILE MG 1 70 LEU H . . 4.000 3.291 2.482 4.113 0.113 17 0 "[ . 1 . 2]" 1 1457 1 70 LEU H 1 70 LEU HB3 . . 3.920 3.451 2.482 4.222 0.302 11 0 "[ . 1 . 2]" 1 1458 1 70 LEU H 1 70 LEU QD . . 4.530 3.548 3.283 3.795 . 0 0 "[ . 1 . 2]" 1 1459 1 70 LEU H 1 70 LEU HG . . 5.500 3.995 2.814 5.119 . 0 0 "[ . 1 . 2]" 1 1460 1 70 LEU H 1 71 PRO HD2 . . 5.500 5.087 4.803 5.460 . 0 0 "[ . 1 . 2]" 1 1461 1 70 LEU H 1 71 PRO HD3 . . 5.320 4.459 3.682 4.995 . 0 0 "[ . 1 . 2]" 1 1462 1 70 LEU HA 1 70 LEU QD . . 3.400 2.049 1.969 2.153 . 0 0 "[ . 1 . 2]" 1 1463 1 70 LEU HA 1 71 PRO HG3 . . 5.500 4.203 4.083 4.406 . 0 0 "[ . 1 . 2]" 1 1464 1 70 LEU HB2 1 71 PRO HD2 . . 5.460 4.173 3.756 4.540 . 0 0 "[ . 1 . 2]" 1 1465 1 70 LEU HB2 1 71 PRO HD3 . . 5.500 4.481 4.388 4.640 . 0 0 "[ . 1 . 2]" 1 1466 1 70 LEU HB3 1 71 PRO HD2 . . 5.500 3.233 2.120 4.314 . 0 0 "[ . 1 . 2]" 1 1467 1 70 LEU QD 1 71 PRO HA . . 5.310 4.992 4.814 5.156 . 0 0 "[ . 1 . 2]" 1 1468 1 70 LEU QD 1 71 PRO HB2 . . 5.500 4.807 4.356 5.300 . 0 0 "[ . 1 . 2]" 1 1469 1 70 LEU QD 1 71 PRO HD2 . . 3.890 2.256 2.133 2.475 . 0 0 "[ . 1 . 2]" 1 1470 1 70 LEU QD 1 71 PRO HD3 . . 3.900 2.318 2.150 2.596 . 0 0 "[ . 1 . 2]" 1 1471 1 70 LEU QD 1 71 PRO HG2 . . 4.600 3.834 3.702 4.016 . 0 0 "[ . 1 . 2]" 1 1472 1 70 LEU QD 1 71 PRO HG3 . . 4.280 4.099 3.865 4.307 0.027 7 0 "[ . 1 . 2]" 1 1473 1 70 LEU QD 1 74 PHE H . . 5.360 4.694 4.427 4.981 . 0 0 "[ . 1 . 2]" 1 1474 1 70 LEU QD 1 74 PHE HA . . 5.410 4.794 4.553 5.042 . 0 0 "[ . 1 . 2]" 1 1475 1 70 LEU QD 1 74 PHE HB2 . . 5.440 3.281 2.947 3.640 . 0 0 "[ . 1 . 2]" 1 1476 1 70 LEU QD 1 74 PHE HB3 . . 4.510 3.112 2.774 3.397 . 0 0 "[ . 1 . 2]" 1 1477 1 70 LEU QD 1 74 PHE QD . . 3.580 2.624 2.400 3.014 . 0 0 "[ . 1 . 2]" 1 1478 1 70 LEU QD 1 74 PHE QE . . 3.770 2.835 2.584 3.223 . 0 0 "[ . 1 . 2]" 1 1479 1 70 LEU QD 1 74 PHE HZ . . 4.350 3.534 3.000 4.000 . 0 0 "[ . 1 . 2]" 1 1480 1 70 LEU QD 1 97 VAL HB . . 4.090 2.534 2.177 2.945 . 0 0 "[ . 1 . 2]" 1 1481 1 70 LEU QD 1 97 VAL QG . . 3.530 1.893 1.757 2.180 . 0 0 "[ . 1 . 2]" 1 1482 1 70 LEU QD 1 98 LEU HA . . 5.500 5.454 5.302 5.509 0.009 3 0 "[ . 1 . 2]" 1 1483 1 70 LEU HG 1 71 PRO HD2 . . 5.210 3.239 2.199 4.473 . 0 0 "[ . 1 . 2]" 1 1484 1 70 LEU HG 1 71 PRO HD3 . . 4.260 3.887 3.410 4.340 0.080 16 0 "[ . 1 . 2]" 1 1485 1 70 LEU HG 1 97 VAL QG . . 4.170 3.810 3.554 4.107 . 0 0 "[ . 1 . 2]" 1 1486 1 71 PRO HB2 1 73 LEU H . . 3.620 2.678 2.233 3.151 . 0 0 "[ . 1 . 2]" 1 1487 1 71 PRO HB2 1 74 PHE H . . 4.330 2.338 1.869 3.295 . 0 0 "[ . 1 . 2]" 1 1488 1 71 PRO HB2 1 99 ALA H . . 4.940 4.590 3.903 4.996 0.056 4 0 "[ . 1 . 2]" 1 1489 1 71 PRO HB2 1 99 ALA MB . . 3.830 2.898 2.316 3.429 . 0 0 "[ . 1 . 2]" 1 1490 1 71 PRO HB3 1 99 ALA H . . 4.800 4.536 3.702 4.887 0.087 8 0 "[ . 1 . 2]" 1 1491 1 71 PRO HB3 1 99 ALA MB . . 4.250 3.699 2.870 4.348 0.098 15 0 "[ . 1 . 2]" 1 1492 1 71 PRO HD2 1 97 VAL HB . . 5.500 4.201 3.608 4.911 . 0 0 "[ . 1 . 2]" 1 1493 1 71 PRO HD2 1 97 VAL QG . . 4.360 2.855 2.504 3.787 . 0 0 "[ . 1 . 2]" 1 1494 1 71 PRO HD3 1 74 PHE H . . 5.390 5.174 4.937 5.363 . 0 0 "[ . 1 . 2]" 1 1495 1 71 PRO HD3 1 74 PHE QD . . 4.740 4.665 4.335 4.826 0.086 18 0 "[ . 1 . 2]" 1 1496 1 71 PRO HD3 1 97 VAL HB . . 4.970 3.257 2.601 3.980 . 0 0 "[ . 1 . 2]" 1 1497 1 71 PRO HD3 1 97 VAL QG . . 3.800 2.892 2.291 3.711 . 0 0 "[ . 1 . 2]" 1 1498 1 71 PRO HG2 1 73 LEU H . . 5.480 4.893 4.199 5.462 . 0 0 "[ . 1 . 2]" 1 1499 1 71 PRO HG2 1 74 PHE H . . 4.230 3.747 3.255 4.181 . 0 0 "[ . 1 . 2]" 1 1500 1 71 PRO HG2 1 74 PHE HB3 . . 5.500 4.033 3.522 4.539 . 0 0 "[ . 1 . 2]" 1 1501 1 71 PRO HG2 1 74 PHE QD . . 5.470 3.679 3.135 4.282 . 0 0 "[ . 1 . 2]" 1 1502 1 71 PRO HG2 1 97 VAL QG . . 3.990 3.052 2.456 4.030 0.040 8 0 "[ . 1 . 2]" 1 1503 1 71 PRO HG2 1 99 ALA H . . 4.400 3.573 3.043 4.007 . 0 0 "[ . 1 . 2]" 1 1504 1 71 PRO HG2 1 99 ALA MB . . 4.360 2.661 2.368 2.988 . 0 0 "[ . 1 . 2]" 1 1505 1 71 PRO HG3 1 74 PHE H . . 4.870 4.907 4.774 4.961 0.091 1 0 "[ . 1 . 2]" 1 1506 1 71 PRO HG3 1 97 VAL QG . . 4.130 3.611 2.746 4.155 0.025 8 0 "[ . 1 . 2]" 1 1507 1 71 PRO HG3 1 98 LEU HA . . 5.500 3.121 2.612 3.481 . 0 0 "[ . 1 . 2]" 1 1508 1 71 PRO HG3 1 99 ALA H . . 4.530 4.196 3.491 4.592 0.062 19 0 "[ . 1 . 2]" 1 1509 1 71 PRO HG3 1 99 ALA MB . . 3.970 3.956 3.568 4.080 0.110 3 0 "[ . 1 . 2]" 1 1510 1 72 ASP HA 1 74 PHE H . . 4.670 3.973 3.668 4.467 . 0 0 "[ . 1 . 2]" 1 1511 1 72 ASP QB 1 73 LEU H . . 3.890 2.778 2.373 3.151 . 0 0 "[ . 1 . 2]" 1 1512 1 72 ASP QB 1 73 LEU QB . . 4.560 4.368 3.446 4.645 0.085 17 0 "[ . 1 . 2]" 1 1513 1 72 ASP QB 1 73 LEU QD . . 3.650 2.878 2.234 3.695 0.045 14 0 "[ . 1 . 2]" 1 1514 1 72 ASP QB 1 74 PHE H . . 5.500 4.751 4.478 4.874 . 0 0 "[ . 1 . 2]" 1 1515 1 73 LEU H 1 73 LEU QB . . 3.230 2.222 1.880 2.473 . 0 0 "[ . 1 . 2]" 1 1516 1 73 LEU H 1 73 LEU QD . . 4.140 2.415 1.834 3.312 . 0 0 "[ . 1 . 2]" 1 1517 1 73 LEU H 1 74 PHE H . . 3.980 2.747 2.525 2.938 . 0 0 "[ . 1 . 2]" 1 1518 1 73 LEU H 1 99 ALA MB . . 4.480 4.095 3.616 4.484 0.004 9 0 "[ . 1 . 2]" 1 1519 1 73 LEU HA 1 73 LEU QD . . 3.060 2.481 1.971 2.970 . 0 0 "[ . 1 . 2]" 1 1520 1 73 LEU QB 1 73 LEU QD . . 2.810 1.973 1.881 2.090 . 0 0 "[ . 1 . 2]" 1 1521 1 73 LEU QB 1 74 PHE H . . 3.820 3.058 2.696 3.447 . 0 0 "[ . 1 . 2]" 1 1522 1 73 LEU QB 1 99 ALA HA . . 5.290 4.699 4.197 5.244 . 0 0 "[ . 1 . 2]" 1 1523 1 73 LEU QB 1 99 ALA MB . . 3.420 2.141 1.862 2.559 . 0 0 "[ . 1 . 2]" 1 1524 1 73 LEU QB 1 101 HIS HE1 . . 3.980 4.017 3.404 4.091 0.111 7 0 "[ . 1 . 2]" 1 1525 1 73 LEU QD 1 74 PHE H . . 5.070 4.128 3.694 4.334 . 0 0 "[ . 1 . 2]" 1 1526 1 73 LEU QD 1 99 ALA MB . . 3.470 2.927 2.011 3.474 0.004 17 0 "[ . 1 . 2]" 1 1527 1 73 LEU QD 1 101 HIS H . . 4.260 4.123 3.655 4.300 0.040 5 0 "[ . 1 . 2]" 1 1528 1 73 LEU QD 1 101 HIS QB . . 4.960 2.211 1.911 2.854 . 0 0 "[ . 1 . 2]" 1 1529 1 74 PHE H 1 74 PHE HB2 . . 3.290 2.480 2.291 2.812 . 0 0 "[ . 1 . 2]" 1 1530 1 74 PHE H 1 74 PHE HB3 . . 3.180 2.379 2.276 2.539 . 0 0 "[ . 1 . 2]" 1 1531 1 74 PHE H 1 74 PHE QD . . 4.030 4.120 4.108 4.133 0.103 3 0 "[ . 1 . 2]" 1 1532 1 74 PHE H 1 75 ARG H . . 4.700 4.602 4.394 4.753 0.053 10 0 "[ . 1 . 2]" 1 1533 1 74 PHE H 1 99 ALA MB . . 4.160 3.215 2.847 3.660 . 0 0 "[ . 1 . 2]" 1 1534 1 74 PHE HA 1 74 PHE QD . . 3.570 3.125 2.933 3.291 . 0 0 "[ . 1 . 2]" 1 1535 1 74 PHE HA 1 74 PHE QE . . 4.820 4.788 4.605 4.899 0.079 17 0 "[ . 1 . 2]" 1 1536 1 74 PHE HA 1 75 ARG H . . 3.020 2.268 2.143 2.385 . 0 0 "[ . 1 . 2]" 1 1537 1 74 PHE HA 1 78 GLN QG . . 4.380 3.500 3.034 3.791 . 0 0 "[ . 1 . 2]" 1 1538 1 74 PHE HA 1 80 VAL QG . . 5.500 3.359 2.665 4.207 . 0 0 "[ . 1 . 2]" 1 1539 1 74 PHE HA 1 99 ALA MB . . 3.780 2.472 2.022 2.979 . 0 0 "[ . 1 . 2]" 1 1540 1 74 PHE HB2 1 75 ARG H . . 4.600 4.347 4.208 4.529 . 0 0 "[ . 1 . 2]" 1 1541 1 74 PHE HB3 1 75 ARG H . . 4.700 4.288 3.987 4.565 . 0 0 "[ . 1 . 2]" 1 1542 1 74 PHE HB3 1 75 ARG HA . . 5.500 4.823 4.636 5.075 . 0 0 "[ . 1 . 2]" 1 1543 1 74 PHE HB3 1 99 ALA MB . . 4.670 4.081 3.746 4.529 . 0 0 "[ . 1 . 2]" 1 1544 1 74 PHE QD 1 75 ARG H . . 4.220 3.584 3.008 4.143 . 0 0 "[ . 1 . 2]" 1 1545 1 74 PHE QD 1 75 ARG HA . . 3.970 3.383 2.910 3.884 . 0 0 "[ . 1 . 2]" 1 1546 1 74 PHE QD 1 80 VAL HA . . 4.640 4.735 4.710 4.752 0.112 3 0 "[ . 1 . 2]" 1 1547 1 74 PHE QD 1 80 VAL HB . . 4.160 2.978 2.726 4.229 0.069 19 0 "[ . 1 . 2]" 1 1548 1 74 PHE QD 1 80 VAL QG . . 3.450 2.479 1.965 3.104 . 0 0 "[ . 1 . 2]" 1 1549 1 74 PHE QD 1 81 VAL H . . 5.190 5.095 4.625 5.292 0.102 17 0 "[ . 1 . 2]" 1 1550 1 74 PHE QD 1 97 VAL QG . . 3.450 2.434 2.178 2.685 . 0 0 "[ . 1 . 2]" 1 1551 1 74 PHE QD 1 99 ALA MB . . 3.960 3.233 2.536 3.836 . 0 0 "[ . 1 . 2]" 1 1552 1 74 PHE QE 1 75 ARG H . . 5.330 4.592 4.196 5.115 . 0 0 "[ . 1 . 2]" 1 1553 1 74 PHE QE 1 75 ARG HA . . 4.680 4.504 4.056 4.752 0.072 5 0 "[ . 1 . 2]" 1 1554 1 74 PHE QE 1 76 GLU H . . 5.500 4.991 4.222 5.553 0.053 5 0 "[ . 1 . 2]" 1 1555 1 74 PHE QE 1 76 GLU HA . . 5.300 4.364 3.630 5.215 . 0 0 "[ . 1 . 2]" 1 1556 1 74 PHE QE 1 76 GLU HG3 . . 5.420 3.951 2.852 6.344 0.924 14 1 "[ . 1 +. 2]" 1 1557 1 74 PHE QE 1 78 GLN QG . . 5.190 4.998 4.388 5.287 0.097 11 0 "[ . 1 . 2]" 1 1558 1 74 PHE QE 1 80 VAL HB . . 4.620 3.399 2.901 3.998 . 0 0 "[ . 1 . 2]" 1 1559 1 74 PHE QE 1 80 VAL QG . . 3.720 2.067 1.964 2.180 . 0 0 "[ . 1 . 2]" 1 1560 1 74 PHE QE 1 97 VAL QG . . 3.770 2.649 2.315 3.291 . 0 0 "[ . 1 . 2]" 1 1561 1 74 PHE QE 1 99 ALA MB . . 5.230 5.101 4.422 5.369 0.139 3 0 "[ . 1 . 2]" 1 1562 1 74 PHE HZ 1 80 VAL QG . . 4.360 3.496 3.090 3.806 . 0 0 "[ . 1 . 2]" 1 1563 1 74 PHE HZ 1 97 VAL QG . . 5.500 4.084 3.744 4.760 . 0 0 "[ . 1 . 2]" 1 1564 1 75 ARG H 1 75 ARG HD3 . . 5.340 4.688 4.251 5.495 0.155 15 0 "[ . 1 . 2]" 1 1565 1 75 ARG H 1 75 ARG HG2 . . 4.030 3.284 2.888 4.107 0.077 14 0 "[ . 1 . 2]" 1 1566 1 75 ARG H 1 75 ARG HG3 . . 4.240 3.953 2.827 4.322 0.082 4 0 "[ . 1 . 2]" 1 1567 1 75 ARG H 1 76 GLU H . . 5.060 4.324 4.165 4.521 . 0 0 "[ . 1 . 2]" 1 1568 1 75 ARG H 1 77 GLY H . . 5.330 5.322 4.780 5.426 0.096 12 0 "[ . 1 . 2]" 1 1569 1 75 ARG H 1 78 GLN H . . 4.900 4.235 3.708 4.621 . 0 0 "[ . 1 . 2]" 1 1570 1 75 ARG H 1 78 GLN HB2 . . 4.780 4.743 4.594 4.860 0.080 20 0 "[ . 1 . 2]" 1 1571 1 75 ARG H 1 78 GLN HB3 . . 4.580 4.429 3.926 4.660 0.080 12 0 "[ . 1 . 2]" 1 1572 1 75 ARG H 1 78 GLN QG . . 4.550 2.125 1.743 2.402 . 0 0 "[ . 1 . 2]" 1 1573 1 75 ARG H 1 80 VAL QG . . 4.850 3.552 2.878 4.142 . 0 0 "[ . 1 . 2]" 1 1574 1 75 ARG H 1 99 ALA MB . . 4.620 4.088 3.397 4.610 . 0 0 "[ . 1 . 2]" 1 1575 1 75 ARG HA 1 75 ARG HD2 . . 4.510 3.662 3.133 4.597 0.087 8 0 "[ . 1 . 2]" 1 1576 1 75 ARG HA 1 75 ARG HD3 . . 4.140 2.843 2.162 4.235 0.095 9 0 "[ . 1 . 2]" 1 1577 1 75 ARG HA 1 76 GLU H . . 3.280 2.381 2.048 2.871 . 0 0 "[ . 1 . 2]" 1 1578 1 75 ARG QB 1 75 ARG HD3 . . 3.180 2.642 2.043 3.260 0.080 15 0 "[ . 1 . 2]" 1 1579 1 75 ARG QB 1 76 GLU H . . 3.840 2.411 1.995 2.982 . 0 0 "[ . 1 . 2]" 1 1580 1 75 ARG QB 1 78 GLN H . . 5.210 4.160 3.415 4.771 . 0 0 "[ . 1 . 2]" 1 1581 1 75 ARG QB 1 78 GLN HB2 . . 5.500 4.602 4.066 5.297 . 0 0 "[ . 1 . 2]" 1 1582 1 75 ARG QB 1 78 GLN QE . . 4.550 3.348 2.732 4.014 . 0 0 "[ . 1 . 2]" 1 1583 1 75 ARG QB 1 78 GLN QG . . 4.290 2.295 1.976 3.359 . 0 0 "[ . 1 . 2]" 1 1584 1 75 ARG HD2 1 76 GLU H . . 5.500 4.072 2.890 5.565 0.065 8 0 "[ . 1 . 2]" 1 1585 1 75 ARG HD2 1 78 GLN QG . . 5.500 5.213 3.579 5.584 0.084 12 0 "[ . 1 . 2]" 1 1586 1 75 ARG HD3 1 76 GLU H . . 4.970 3.973 3.078 5.152 0.182 15 0 "[ . 1 . 2]" 1 1587 1 75 ARG HD3 1 78 GLN QG . . 5.500 5.128 4.490 5.583 0.083 15 0 "[ . 1 . 2]" 1 1588 1 75 ARG HG2 1 76 GLU H . . 5.500 4.681 3.707 5.024 . 0 0 "[ . 1 . 2]" 1 1589 1 75 ARG HG2 1 78 GLN QG . . 5.240 3.601 2.295 4.760 . 0 0 "[ . 1 . 2]" 1 1590 1 75 ARG HG3 1 76 GLU H . . 4.700 4.556 2.786 5.183 0.483 20 0 "[ . 1 . 2]" 1 1591 1 75 ARG HG3 1 78 GLN QE . . 4.710 3.749 2.308 4.659 . 0 0 "[ . 1 . 2]" 1 1592 1 75 ARG HG3 1 78 GLN QG . . 3.810 3.616 2.075 4.083 0.273 5 0 "[ . 1 . 2]" 1 1593 1 76 GLU H 1 76 GLU HB2 . . 4.020 2.498 2.123 3.785 . 0 0 "[ . 1 . 2]" 1 1594 1 76 GLU H 1 76 GLU HB3 . . 3.830 3.537 2.702 3.823 . 0 0 "[ . 1 . 2]" 1 1595 1 76 GLU H 1 76 GLU HG2 . . 4.750 3.871 2.216 4.373 . 0 0 "[ . 1 . 2]" 1 1596 1 76 GLU H 1 76 GLU HG3 . . 3.770 2.980 2.473 3.721 . 0 0 "[ . 1 . 2]" 1 1597 1 76 GLU H 1 77 GLY H . . 5.450 4.377 3.896 4.542 . 0 0 "[ . 1 . 2]" 1 1598 1 76 GLU H 1 78 GLN H . . 5.500 5.057 4.621 5.543 0.043 17 0 "[ . 1 . 2]" 1 1599 1 76 GLU HA 1 77 GLY H . . 3.430 2.171 2.040 2.307 . 0 0 "[ . 1 . 2]" 1 1600 1 76 GLU HA 1 77 GLY HA3 . . 4.850 4.452 4.356 4.523 . 0 0 "[ . 1 . 2]" 1 1601 1 76 GLU HA 1 78 GLN H . . 3.980 3.792 3.427 4.050 0.070 9 0 "[ . 1 . 2]" 1 1602 1 76 GLU HB2 1 77 GLY H . . 4.370 4.318 3.386 4.612 0.242 15 0 "[ . 1 . 2]" 1 1603 1 76 GLU HG2 1 77 GLY H . . 5.500 4.847 3.953 5.575 0.075 17 0 "[ . 1 . 2]" 1 1604 1 76 GLU HG3 1 77 GLY H . . 4.950 4.693 4.008 5.029 0.079 18 0 "[ . 1 . 2]" 1 1605 1 77 GLY H 1 78 GLN H . . 3.490 2.342 1.931 2.560 . 0 0 "[ . 1 . 2]" 1 1606 1 77 GLY H 1 78 GLN QG . . 4.350 3.983 3.408 4.363 0.013 19 0 "[ . 1 . 2]" 1 1607 1 78 GLN H 1 78 GLN HB2 . . 4.070 3.833 3.717 3.970 . 0 0 "[ . 1 . 2]" 1 1608 1 78 GLN H 1 78 GLN HB3 . . 3.480 3.266 3.033 3.514 0.034 3 0 "[ . 1 . 2]" 1 1609 1 78 GLN H 1 78 GLN QG . . 3.440 2.309 2.169 2.449 . 0 0 "[ . 1 . 2]" 1 1610 1 78 GLN H 1 79 GLY H . . 4.650 4.454 4.317 4.634 . 0 0 "[ . 1 . 2]" 1 1611 1 78 GLN H 1 79 GLY HA2 . . 5.500 5.140 4.813 5.397 . 0 0 "[ . 1 . 2]" 1 1612 1 78 GLN H 1 80 VAL QG . . 4.980 3.841 3.461 4.634 . 0 0 "[ . 1 . 2]" 1 1613 1 78 GLN HA 1 78 GLN QE . . 5.500 4.617 4.290 5.070 . 0 0 "[ . 1 . 2]" 1 1614 1 78 GLN HA 1 78 GLN QG . . 3.430 3.361 3.326 3.399 . 0 0 "[ . 1 . 2]" 1 1615 1 78 GLN HA 1 79 GLY H . . 3.380 2.451 2.346 2.813 . 0 0 "[ . 1 . 2]" 1 1616 1 78 GLN HB2 1 79 GLY H . . 3.580 2.223 1.928 2.414 . 0 0 "[ . 1 . 2]" 1 1617 1 78 GLN HB2 1 99 ALA MB . . 4.790 4.868 4.664 4.904 0.114 18 0 "[ . 1 . 2]" 1 1618 1 78 GLN HB3 1 78 GLN QE . . 4.430 2.768 2.180 3.911 . 0 0 "[ . 1 . 2]" 1 1619 1 78 GLN HB3 1 79 GLY H . . 3.860 3.617 3.490 3.810 . 0 0 "[ . 1 . 2]" 1 1620 1 78 GLN QE 1 79 GLY H . . 4.980 4.460 4.073 4.689 . 0 0 "[ . 1 . 2]" 1 1621 1 78 GLN QE 1 80 VAL QG . . 4.770 3.912 2.316 4.371 . 0 0 "[ . 1 . 2]" 1 1622 1 78 GLN QE 1 99 ALA MB . . 4.760 2.554 1.867 3.536 . 0 0 "[ . 1 . 2]" 1 1623 1 78 GLN QG 1 79 GLY H . . 3.670 3.626 2.907 3.757 0.087 20 0 "[ . 1 . 2]" 1 1624 1 78 GLN QG 1 80 VAL QG . . 4.130 2.481 2.046 2.885 . 0 0 "[ . 1 . 2]" 1 1625 1 78 GLN QG 1 99 ALA MB . . 4.680 4.028 3.477 4.325 . 0 0 "[ . 1 . 2]" 1 1626 1 79 GLY H 1 80 VAL H . . 4.550 4.414 4.022 4.597 0.047 3 0 "[ . 1 . 2]" 1 1627 1 79 GLY H 1 80 VAL QG . . 4.780 4.097 3.605 4.506 . 0 0 "[ . 1 . 2]" 1 1628 1 79 GLY HA2 1 80 VAL H . . 3.520 2.200 2.106 2.337 . 0 0 "[ . 1 . 2]" 1 1629 1 79 GLY HA3 1 80 VAL HA . . 5.140 4.589 4.406 4.793 . 0 0 "[ . 1 . 2]" 1 1630 1 80 VAL H 1 80 VAL QG . . 3.500 2.285 1.864 2.999 . 0 0 "[ . 1 . 2]" 1 1631 1 80 VAL H 1 100 LYS QG . . 5.200 4.566 2.819 5.272 0.072 13 0 "[ . 1 . 2]" 1 1632 1 80 VAL HA 1 81 VAL H . . 3.190 2.526 2.378 2.721 . 0 0 "[ . 1 . 2]" 1 1633 1 80 VAL HA 1 81 VAL QG . . 4.250 3.917 3.686 4.156 . 0 0 "[ . 1 . 2]" 1 1634 1 80 VAL HA 1 99 ALA H . . 5.420 4.771 4.196 4.987 . 0 0 "[ . 1 . 2]" 1 1635 1 80 VAL HA 1 99 ALA MB . . 3.970 3.765 3.277 4.066 0.096 13 0 "[ . 1 . 2]" 1 1636 1 80 VAL HA 1 100 LYS H . . 3.650 3.354 2.241 3.695 0.045 3 0 "[ . 1 . 2]" 1 1637 1 80 VAL HB 1 81 VAL H . . 3.590 2.659 2.341 3.632 0.042 19 0 "[ . 1 . 2]" 1 1638 1 80 VAL HB 1 97 VAL QG . . 3.970 3.210 2.893 3.972 0.002 19 0 "[ . 1 . 2]" 1 1639 1 80 VAL HB 1 98 LEU H . . 4.440 3.992 3.511 4.560 0.120 19 0 "[ . 1 . 2]" 1 1640 1 80 VAL HB 1 100 LYS H . . 4.940 4.832 4.643 5.034 0.094 19 0 "[ . 1 . 2]" 1 1641 1 80 VAL QG 1 81 VAL H . . 3.390 2.665 2.175 2.933 . 0 0 "[ . 1 . 2]" 1 1642 1 80 VAL QG 1 97 VAL HA . . 4.520 4.173 2.972 4.502 . 0 0 "[ . 1 . 2]" 1 1643 1 80 VAL QG 1 97 VAL QG . . 3.150 2.739 1.947 3.026 . 0 0 "[ . 1 . 2]" 1 1644 1 80 VAL QG 1 98 LEU H . . 3.960 3.744 1.852 3.982 0.022 15 0 "[ . 1 . 2]" 1 1645 1 80 VAL QG 1 99 ALA HA . . 4.700 2.834 2.168 3.591 . 0 0 "[ . 1 . 2]" 1 1646 1 80 VAL QG 1 100 LYS H . . 5.490 4.628 3.619 4.961 . 0 0 "[ . 1 . 2]" 1 1647 1 81 VAL H 1 81 VAL HB . . 3.660 2.612 2.400 3.727 0.067 15 0 "[ . 1 . 2]" 1 1648 1 81 VAL H 1 81 VAL QG . . 3.610 3.041 2.355 3.219 . 0 0 "[ . 1 . 2]" 1 1649 1 81 VAL H 1 82 VAL H . . 4.580 4.158 3.799 4.377 . 0 0 "[ . 1 . 2]" 1 1650 1 81 VAL H 1 82 VAL QG . . 4.720 4.323 3.796 4.680 . 0 0 "[ . 1 . 2]" 1 1651 1 81 VAL H 1 97 VAL HA . . 5.050 4.506 4.299 4.716 . 0 0 "[ . 1 . 2]" 1 1652 1 81 VAL H 1 97 VAL QG . . 4.620 3.906 3.447 4.306 . 0 0 "[ . 1 . 2]" 1 1653 1 81 VAL H 1 98 LEU H . . 3.750 2.850 2.459 3.167 . 0 0 "[ . 1 . 2]" 1 1654 1 81 VAL H 1 98 LEU HB2 . . 4.470 3.160 2.362 3.537 . 0 0 "[ . 1 . 2]" 1 1655 1 81 VAL H 1 98 LEU HB3 . . 4.380 4.338 3.767 4.472 0.092 15 0 "[ . 1 . 2]" 1 1656 1 81 VAL H 1 99 ALA HA . . 4.380 3.492 3.187 3.990 . 0 0 "[ . 1 . 2]" 1 1657 1 81 VAL H 1 100 LYS H . . 4.600 3.574 2.992 4.009 . 0 0 "[ . 1 . 2]" 1 1658 1 81 VAL H 1 100 LYS QG . . 4.880 3.965 3.521 4.916 0.036 13 0 "[ . 1 . 2]" 1 1659 1 81 VAL HA 1 81 VAL QG . . 3.220 2.116 2.065 2.385 . 0 0 "[ . 1 . 2]" 1 1660 1 81 VAL HA 1 82 VAL H . . 3.060 2.219 2.138 2.373 . 0 0 "[ . 1 . 2]" 1 1661 1 81 VAL HB 1 82 VAL H . . 4.680 4.421 2.437 4.687 0.007 13 0 "[ . 1 . 2]" 1 1662 1 81 VAL HB 1 98 LEU H . . 4.230 3.908 3.516 4.336 0.106 15 0 "[ . 1 . 2]" 1 1663 1 81 VAL HB 1 98 LEU HB2 . . 4.670 2.433 1.985 4.393 . 0 0 "[ . 1 . 2]" 1 1664 1 81 VAL HB 1 98 LEU QD . . 3.980 3.278 2.102 3.953 . 0 0 "[ . 1 . 2]" 1 1665 1 81 VAL QG 1 82 VAL H . . 3.720 2.982 2.557 3.452 . 0 0 "[ . 1 . 2]" 1 1666 1 81 VAL QG 1 98 LEU H . . 5.500 3.591 1.815 4.139 . 0 0 "[ . 1 . 2]" 1 1667 1 81 VAL QG 1 98 LEU HB2 . . 4.140 2.656 1.854 3.004 . 0 0 "[ . 1 . 2]" 1 1668 1 81 VAL QG 1 100 LYS H . . 4.740 3.673 2.853 3.955 . 0 0 "[ . 1 . 2]" 1 1669 1 81 VAL QG 1 100 LYS QE . . 4.210 3.011 1.769 4.049 . 0 0 "[ . 1 . 2]" 1 1670 1 81 VAL QG 1 100 LYS QG . . 3.670 2.352 1.919 3.205 . 0 0 "[ . 1 . 2]" 1 1671 1 82 VAL H 1 82 VAL HB . . 3.820 2.448 2.025 3.824 0.004 14 0 "[ . 1 . 2]" 1 1672 1 82 VAL H 1 82 VAL QG . . 3.380 2.815 2.322 3.057 . 0 0 "[ . 1 . 2]" 1 1673 1 82 VAL H 1 83 GLN H . . 4.620 4.418 4.326 4.492 . 0 0 "[ . 1 . 2]" 1 1674 1 82 VAL H 1 97 VAL QG . . 5.500 4.752 4.233 5.049 . 0 0 "[ . 1 . 2]" 1 1675 1 82 VAL H 1 98 LEU H . . 5.050 4.896 4.548 5.120 0.070 9 0 "[ . 1 . 2]" 1 1676 1 82 VAL HA 1 83 GLN H . . 2.970 2.309 2.234 2.413 . 0 0 "[ . 1 . 2]" 1 1677 1 82 VAL HA 1 92 ILE MG . . 5.500 4.999 4.743 5.124 . 0 0 "[ . 1 . 2]" 1 1678 1 82 VAL HA 1 94 ALA MB . . 5.420 3.578 3.373 3.917 . 0 0 "[ . 1 . 2]" 1 1679 1 82 VAL HA 1 96 GLU H . . 4.790 4.603 4.346 4.849 0.059 1 0 "[ . 1 . 2]" 1 1680 1 82 VAL HA 1 97 VAL H . . 3.620 3.268 2.949 3.549 . 0 0 "[ . 1 . 2]" 1 1681 1 82 VAL HA 1 97 VAL HA . . 4.560 2.550 2.193 2.801 . 0 0 "[ . 1 . 2]" 1 1682 1 82 VAL HA 1 97 VAL QG . . 4.190 3.079 2.582 3.511 . 0 0 "[ . 1 . 2]" 1 1683 1 82 VAL HA 1 98 LEU H . . 3.890 3.533 3.228 3.958 0.068 19 0 "[ . 1 . 2]" 1 1684 1 82 VAL HB 1 83 GLN H . . 3.940 3.746 2.144 4.029 0.089 9 0 "[ . 1 . 2]" 1 1685 1 82 VAL HB 1 92 ILE MG . . 4.530 3.805 2.707 4.281 . 0 0 "[ . 1 . 2]" 1 1686 1 82 VAL HB 1 94 ALA MB . . 4.690 4.010 2.257 4.620 . 0 0 "[ . 1 . 2]" 1 1687 1 82 VAL HB 1 97 VAL HA . . 5.500 4.958 4.138 5.292 . 0 0 "[ . 1 . 2]" 1 1688 1 82 VAL HB 1 97 VAL QG . . 4.390 4.146 3.637 4.335 . 0 0 "[ . 1 . 2]" 1 1689 1 82 VAL QG 1 83 GLN H . . 3.320 2.297 2.085 2.977 . 0 0 "[ . 1 . 2]" 1 1690 1 82 VAL QG 1 83 GLN HA . . 5.330 3.198 2.872 3.610 . 0 0 "[ . 1 . 2]" 1 1691 1 82 VAL QG 1 83 GLN QG . . 5.500 4.719 4.508 5.036 . 0 0 "[ . 1 . 2]" 1 1692 1 82 VAL QG 1 84 GLY H . . 4.890 4.115 3.817 4.838 . 0 0 "[ . 1 . 2]" 1 1693 1 82 VAL QG 1 92 ILE MG . . 3.800 1.917 1.815 2.069 . 0 0 "[ . 1 . 2]" 1 1694 1 82 VAL QG 1 94 ALA H . . 4.080 3.711 3.561 3.947 . 0 0 "[ . 1 . 2]" 1 1695 1 82 VAL QG 1 94 ALA HA . . 4.000 2.524 2.060 3.471 . 0 0 "[ . 1 . 2]" 1 1696 1 82 VAL QG 1 94 ALA MB . . 3.480 1.960 1.856 2.108 . 0 0 "[ . 1 . 2]" 1 1697 1 82 VAL QG 1 95 LYS H . . 4.740 3.796 3.449 4.469 . 0 0 "[ . 1 . 2]" 1 1698 1 82 VAL QG 1 96 GLU H . . 4.870 4.198 3.931 4.641 . 0 0 "[ . 1 . 2]" 1 1699 1 82 VAL QG 1 97 VAL HA . . 4.570 2.854 2.356 3.239 . 0 0 "[ . 1 . 2]" 1 1700 1 82 VAL QG 1 97 VAL QG . . 3.390 1.924 1.839 2.090 . 0 0 "[ . 1 . 2]" 1 1701 1 82 VAL QG 1 98 LEU H . . 4.640 3.885 3.408 4.257 . 0 0 "[ . 1 . 2]" 1 1702 1 83 GLN H 1 83 GLN HB2 . . 3.950 3.502 3.298 3.740 . 0 0 "[ . 1 . 2]" 1 1703 1 83 GLN H 1 83 GLN HB3 . . 3.550 2.936 2.760 3.156 . 0 0 "[ . 1 . 2]" 1 1704 1 83 GLN H 1 83 GLN QG . . 4.820 4.065 3.981 4.154 . 0 0 "[ . 1 . 2]" 1 1705 1 83 GLN H 1 84 GLY H . . 4.340 4.146 4.053 4.209 . 0 0 "[ . 1 . 2]" 1 1706 1 83 GLN H 1 95 LYS H . . 4.560 3.211 2.899 3.431 . 0 0 "[ . 1 . 2]" 1 1707 1 83 GLN H 1 96 GLU H . . 3.620 3.579 3.396 3.695 0.075 13 0 "[ . 1 . 2]" 1 1708 1 83 GLN H 1 96 GLU QG . . 3.800 3.522 3.075 3.765 . 0 0 "[ . 1 . 2]" 1 1709 1 83 GLN HA 1 83 GLN HE21 . . 5.500 4.701 4.064 5.127 . 0 0 "[ . 1 . 2]" 1 1710 1 83 GLN HA 1 84 GLY H . . 3.020 2.242 2.105 2.336 . 0 0 "[ . 1 . 2]" 1 1711 1 83 GLN HA 1 84 GLY HA3 . . 5.500 4.428 3.995 4.561 . 0 0 "[ . 1 . 2]" 1 1712 1 83 GLN HA 1 85 GLU H . . 5.480 5.555 5.483 5.577 0.097 7 0 "[ . 1 . 2]" 1 1713 1 83 GLN HB2 1 83 GLN HE21 . . 3.830 3.425 2.693 3.918 0.088 17 0 "[ . 1 . 2]" 1 1714 1 83 GLN HB2 1 83 GLN HE22 . . 4.290 4.023 3.560 4.349 0.059 11 0 "[ . 1 . 2]" 1 1715 1 83 GLN HB2 1 84 GLY H . . 4.220 4.173 3.729 4.295 0.075 16 0 "[ . 1 . 2]" 1 1716 1 83 GLN HB3 1 84 GLY H . . 5.500 4.180 3.897 4.393 . 0 0 "[ . 1 . 2]" 1 1717 1 83 GLN HB3 1 96 GLU H . . 4.770 4.056 3.427 4.492 . 0 0 "[ . 1 . 2]" 1 1718 1 83 GLN HE21 1 95 LYS HG2 . . 5.140 5.014 4.358 5.219 0.079 10 0 "[ . 1 . 2]" 1 1719 1 83 GLN QG 1 84 GLY H . . 3.900 2.439 2.205 2.733 . 0 0 "[ . 1 . 2]" 1 1720 1 83 GLN QG 1 95 LYS H . . 5.500 4.435 4.301 4.583 . 0 0 "[ . 1 . 2]" 1 1721 1 83 GLN QG 1 95 LYS HB3 . . 5.240 4.469 4.068 4.724 . 0 0 "[ . 1 . 2]" 1 1722 1 83 GLN QG 1 95 LYS HG3 . . 4.950 3.130 2.783 3.685 . 0 0 "[ . 1 . 2]" 1 1723 1 83 GLN QG 1 96 GLU H . . 5.500 4.972 4.591 5.272 . 0 0 "[ . 1 . 2]" 1 1724 1 84 GLY H 1 85 GLU H . . 4.230 3.787 3.633 4.035 . 0 0 "[ . 1 . 2]" 1 1725 1 84 GLY H 1 85 GLU HA . . 5.100 4.298 4.087 4.472 . 0 0 "[ . 1 . 2]" 1 1726 1 84 GLY H 1 92 ILE MG . . 4.030 3.720 3.295 4.126 0.096 20 0 "[ . 1 . 2]" 1 1727 1 84 GLY H 1 95 LYS H . . 4.890 4.623 4.420 4.786 . 0 0 "[ . 1 . 2]" 1 1728 1 84 GLY H 1 95 LYS HG3 . . 5.500 4.950 4.305 5.415 . 0 0 "[ . 1 . 2]" 1 1729 1 84 GLY HA2 1 95 LYS H . . 4.580 3.806 3.205 4.197 . 0 0 "[ . 1 . 2]" 1 1730 1 84 GLY HA3 1 85 GLU H . . 3.410 2.392 2.312 2.487 . 0 0 "[ . 1 . 2]" 1 1731 1 84 GLY HA3 1 92 ILE MG . . 4.590 3.759 3.157 4.303 . 0 0 "[ . 1 . 2]" 1 1732 1 84 GLY HA3 1 95 LYS H . . 4.430 2.952 2.610 3.208 . 0 0 "[ . 1 . 2]" 1 1733 1 84 GLY HA3 1 95 LYS HG2 . . 5.220 3.670 3.243 4.140 . 0 0 "[ . 1 . 2]" 1 1734 1 84 GLY HA3 1 95 LYS HG3 . . 5.090 4.041 3.473 4.599 . 0 0 "[ . 1 . 2]" 1 1735 1 85 GLU H 1 85 GLU HB2 . . 3.550 2.736 2.493 3.147 . 0 0 "[ . 1 . 2]" 1 1736 1 85 GLU H 1 85 GLU HB3 . . 3.550 3.400 2.893 3.649 0.099 18 0 "[ . 1 . 2]" 1 1737 1 85 GLU H 1 85 GLU QG . . 4.230 3.750 3.081 4.260 0.030 11 0 "[ . 1 . 2]" 1 1738 1 85 GLU H 1 92 ILE HA . . 4.230 4.310 4.292 4.331 0.101 16 0 "[ . 1 . 2]" 1 1739 1 85 GLU H 1 92 ILE MD . . 5.310 5.128 4.883 5.306 . 0 0 "[ . 1 . 2]" 1 1740 1 85 GLU H 1 92 ILE MG . . 3.630 3.059 2.844 3.519 . 0 0 "[ . 1 . 2]" 1 1741 1 85 GLU H 1 93 LEU H . . 3.870 2.915 2.801 3.082 . 0 0 "[ . 1 . 2]" 1 1742 1 85 GLU H 1 93 LEU HB2 . . 4.000 2.525 2.401 2.610 . 0 0 "[ . 1 . 2]" 1 1743 1 85 GLU H 1 93 LEU HB3 . . 3.680 3.539 3.381 3.750 0.070 16 0 "[ . 1 . 2]" 1 1744 1 85 GLU H 1 93 LEU MD2 . . 4.730 4.205 3.572 4.517 . 0 0 "[ . 1 . 2]" 1 1745 1 85 GLU H 1 93 LEU HG . . 4.740 4.816 4.747 4.832 0.092 1 0 "[ . 1 . 2]" 1 1746 1 85 GLU H 1 94 ALA H . . 5.090 4.937 4.604 5.144 0.054 5 0 "[ . 1 . 2]" 1 1747 1 85 GLU H 1 95 LYS H . . 5.070 5.014 4.779 5.146 0.076 6 0 "[ . 1 . 2]" 1 1748 1 85 GLU HA 1 85 GLU QG . . 3.420 2.248 2.177 2.328 . 0 0 "[ . 1 . 2]" 1 1749 1 85 GLU HA 1 86 LEU H . . 3.100 2.299 2.197 2.386 . 0 0 "[ . 1 . 2]" 1 1750 1 85 GLU HA 1 93 LEU H . . 5.210 4.772 4.658 4.929 . 0 0 "[ . 1 . 2]" 1 1751 1 85 GLU HB2 1 86 LEU H . . 3.940 3.998 3.923 4.028 0.088 15 0 "[ . 1 . 2]" 1 1752 1 85 GLU HB2 1 92 ILE MG . . 5.500 5.169 4.849 5.970 0.470 16 0 "[ . 1 . 2]" 1 1753 1 85 GLU HB3 1 86 LEU H . . 3.860 2.973 2.575 3.703 . 0 0 "[ . 1 . 2]" 1 1754 1 85 GLU QG 1 86 LEU H . . 4.460 3.035 2.009 3.977 . 0 0 "[ . 1 . 2]" 1 1755 1 85 GLU QG 1 93 LEU H . . 5.500 5.419 4.983 5.586 0.086 19 0 "[ . 1 . 2]" 1 1756 1 86 LEU H 1 86 LEU HB2 . . 3.580 2.319 2.026 2.801 . 0 0 "[ . 1 . 2]" 1 1757 1 86 LEU H 1 86 LEU HB3 . . 3.280 2.736 2.365 3.028 . 0 0 "[ . 1 . 2]" 1 1758 1 86 LEU H 1 86 LEU QD . . 4.200 3.799 3.714 3.857 . 0 0 "[ . 1 . 2]" 1 1759 1 86 LEU H 1 86 LEU HG . . 5.060 4.206 3.863 4.588 . 0 0 "[ . 1 . 2]" 1 1760 1 86 LEU H 1 87 GLU H . . 4.770 4.610 4.476 4.720 . 0 0 "[ . 1 . 2]" 1 1761 1 86 LEU H 1 92 ILE HA . . 5.170 5.002 4.903 5.097 . 0 0 "[ . 1 . 2]" 1 1762 1 86 LEU H 1 92 ILE MD . . 5.090 4.899 4.504 5.198 0.108 12 0 "[ . 1 . 2]" 1 1763 1 86 LEU HA 1 86 LEU QD . . 3.390 2.120 2.004 2.261 . 0 0 "[ . 1 . 2]" 1 1764 1 86 LEU HA 1 87 GLU H . . 3.160 2.260 2.026 2.364 . 0 0 "[ . 1 . 2]" 1 1765 1 86 LEU HA 1 88 LYS H . . 5.500 4.875 4.390 5.273 . 0 0 "[ . 1 . 2]" 1 1766 1 86 LEU HA 1 92 ILE MD . . 3.780 2.930 2.639 3.381 . 0 0 "[ . 1 . 2]" 1 1767 1 86 LEU HA 1 92 ILE QG . . 5.220 4.878 4.638 5.223 0.003 12 0 "[ . 1 . 2]" 1 1768 1 86 LEU HA 1 92 ILE MG . . 3.740 3.524 3.267 3.836 0.096 12 0 "[ . 1 . 2]" 1 1769 1 86 LEU HA 1 93 LEU H . . 4.200 3.571 3.430 3.704 . 0 0 "[ . 1 . 2]" 1 1770 1 86 LEU HB2 1 87 GLU H . . 4.500 4.397 4.223 4.542 0.042 7 0 "[ . 1 . 2]" 1 1771 1 86 LEU HB2 1 92 ILE MG . . 4.860 4.887 4.490 4.967 0.107 8 0 "[ . 1 . 2]" 1 1772 1 86 LEU HB3 1 87 GLU H . . 5.500 3.915 3.434 4.354 . 0 0 "[ . 1 . 2]" 1 1773 1 86 LEU QD 1 87 GLU H . . 3.450 2.242 1.993 2.697 . 0 0 "[ . 1 . 2]" 1 1774 1 86 LEU QD 1 88 LYS H . . 4.370 3.271 2.522 4.161 . 0 0 "[ . 1 . 2]" 1 1775 1 86 LEU QD 1 90 ASN H . . 4.110 3.670 2.877 4.129 0.019 15 0 "[ . 1 . 2]" 1 1776 1 86 LEU QD 1 90 ASN HA . . 3.590 2.705 2.140 3.416 . 0 0 "[ . 1 . 2]" 1 1777 1 86 LEU QD 1 91 HIS H . . 3.720 2.756 2.452 3.745 0.025 9 0 "[ . 1 . 2]" 1 1778 1 86 LEU QD 1 91 HIS HA . . 4.990 4.343 4.170 4.491 . 0 0 "[ . 1 . 2]" 1 1779 1 86 LEU QD 1 91 HIS HD2 . . 5.500 5.466 5.357 5.510 0.010 1 0 "[ . 1 . 2]" 1 1780 1 86 LEU QD 1 92 ILE H . . 4.520 4.413 4.170 4.558 0.038 1 0 "[ . 1 . 2]" 1 1781 1 86 LEU QD 1 92 ILE HA . . 4.240 3.304 2.907 3.503 . 0 0 "[ . 1 . 2]" 1 1782 1 86 LEU QD 1 92 ILE MD . . 3.000 2.308 1.981 2.612 . 0 0 "[ . 1 . 2]" 1 1783 1 86 LEU QD 1 92 ILE QG . . 4.150 3.941 3.522 4.170 0.020 12 0 "[ . 1 . 2]" 1 1784 1 86 LEU QD 1 93 LEU H . . 5.080 4.648 4.381 4.825 . 0 0 "[ . 1 . 2]" 1 1785 1 86 LEU HG 1 87 GLU H . . 4.050 3.725 2.864 4.129 0.079 10 0 "[ . 1 . 2]" 1 1786 1 86 LEU HG 1 91 HIS H . . 5.030 4.921 4.248 5.115 0.085 3 0 "[ . 1 . 2]" 1 1787 1 87 GLU H 1 87 GLU HB2 . . 3.590 2.470 2.276 2.721 . 0 0 "[ . 1 . 2]" 1 1788 1 87 GLU H 1 87 GLU HB3 . . 3.600 2.738 2.570 3.071 . 0 0 "[ . 1 . 2]" 1 1789 1 87 GLU H 1 87 GLU QG . . 4.540 3.999 3.878 4.110 . 0 0 "[ . 1 . 2]" 1 1790 1 87 GLU H 1 88 LYS H . . 3.940 2.767 2.492 3.017 . 0 0 "[ . 1 . 2]" 1 1791 1 87 GLU H 1 91 HIS H . . 4.550 3.540 3.110 4.152 . 0 0 "[ . 1 . 2]" 1 1792 1 87 GLU H 1 91 HIS HA . . 5.350 4.991 4.886 5.106 . 0 0 "[ . 1 . 2]" 1 1793 1 87 GLU H 1 91 HIS HB2 . . 5.220 5.252 5.080 5.310 0.090 1 0 "[ . 1 . 2]" 1 1794 1 87 GLU H 1 91 HIS HB3 . . 5.030 3.704 3.555 3.828 . 0 0 "[ . 1 . 2]" 1 1795 1 87 GLU H 1 92 ILE H . . 5.360 4.879 4.656 4.997 . 0 0 "[ . 1 . 2]" 1 1796 1 87 GLU H 1 92 ILE HA . . 3.930 3.331 2.996 3.571 . 0 0 "[ . 1 . 2]" 1 1797 1 87 GLU H 1 92 ILE MD . . 4.250 3.963 3.743 4.232 . 0 0 "[ . 1 . 2]" 1 1798 1 87 GLU H 1 92 ILE QG . . 5.500 5.445 5.187 5.574 0.074 4 0 "[ . 1 . 2]" 1 1799 1 87 GLU H 1 92 ILE MG . . 5.340 4.844 4.484 5.092 . 0 0 "[ . 1 . 2]" 1 1800 1 87 GLU H 1 93 LEU H . . 4.630 4.006 3.714 4.529 . 0 0 "[ . 1 . 2]" 1 1801 1 87 GLU HB2 1 88 LYS H . . 3.620 3.327 3.111 3.498 . 0 0 "[ . 1 . 2]" 1 1802 1 87 GLU HB2 1 91 HIS H . . 4.780 4.598 4.097 4.841 0.061 5 0 "[ . 1 . 2]" 1 1803 1 87 GLU HB2 1 91 HIS HB3 . . 5.160 3.217 2.855 3.551 . 0 0 "[ . 1 . 2]" 1 1804 1 87 GLU HB2 1 91 HIS HD2 . . 4.640 4.496 4.075 4.714 0.074 7 0 "[ . 1 . 2]" 1 1805 1 87 GLU HB2 1 92 ILE HA . . 4.940 4.008 3.540 4.341 . 0 0 "[ . 1 . 2]" 1 1806 1 87 GLU HB2 1 93 LEU H . . 4.810 3.760 3.374 4.021 . 0 0 "[ . 1 . 2]" 1 1807 1 87 GLU HB2 1 93 LEU MD2 . . 4.250 2.099 2.000 2.380 . 0 0 "[ . 1 . 2]" 1 1808 1 87 GLU HB3 1 88 LYS H . . 3.150 1.935 1.742 2.109 . 0 0 "[ . 1 . 2]" 1 1809 1 87 GLU HB3 1 91 HIS H . . 5.040 3.731 3.229 4.207 . 0 0 "[ . 1 . 2]" 1 1810 1 87 GLU HB3 1 91 HIS HB2 . . 5.500 3.849 3.686 4.242 . 0 0 "[ . 1 . 2]" 1 1811 1 87 GLU HB3 1 91 HIS HB3 . . 4.630 2.178 2.015 2.601 . 0 0 "[ . 1 . 2]" 1 1812 1 87 GLU HB3 1 91 HIS HD2 . . 5.410 4.943 4.576 5.379 . 0 0 "[ . 1 . 2]" 1 1813 1 87 GLU HB3 1 93 LEU MD2 . . 5.500 3.431 3.307 3.786 . 0 0 "[ . 1 . 2]" 1 1814 1 87 GLU QG 1 88 LYS H . . 4.640 3.746 3.108 4.108 . 0 0 "[ . 1 . 2]" 1 1815 1 87 GLU QG 1 88 LYS QG . . 5.310 4.706 4.082 5.139 . 0 0 "[ . 1 . 2]" 1 1816 1 87 GLU QG 1 91 HIS HB3 . . 5.500 3.920 3.269 4.352 . 0 0 "[ . 1 . 2]" 1 1817 1 87 GLU QG 1 91 HIS HE1 . . 5.170 3.561 2.815 4.817 . 0 0 "[ . 1 . 2]" 1 1818 1 87 GLU QG 1 93 LEU H . . 5.370 4.927 4.509 5.235 . 0 0 "[ . 1 . 2]" 1 1819 1 87 GLU QG 1 93 LEU MD1 . . 4.000 3.474 2.591 3.989 . 0 0 "[ . 1 . 2]" 1 1820 1 87 GLU QG 1 93 LEU MD2 . . 3.660 1.998 1.848 2.133 . 0 0 "[ . 1 . 2]" 1 1821 1 87 GLU QG 1 93 LEU HG . . 5.050 4.090 3.506 4.575 . 0 0 "[ . 1 . 2]" 1 1822 1 88 LYS H 1 88 LYS HB2 . . 3.260 2.959 2.836 3.134 . 0 0 "[ . 1 . 2]" 1 1823 1 88 LYS H 1 88 LYS HB3 . . 3.680 3.682 3.435 3.763 0.083 19 0 "[ . 1 . 2]" 1 1824 1 88 LYS H 1 88 LYS QD . . 5.500 5.191 4.558 5.414 . 0 0 "[ . 1 . 2]" 1 1825 1 88 LYS H 1 88 LYS QE . . 4.990 4.707 3.943 5.095 0.105 17 0 "[ . 1 . 2]" 1 1826 1 88 LYS H 1 88 LYS QG . . 4.000 3.918 3.597 4.093 0.093 6 0 "[ . 1 . 2]" 1 1827 1 88 LYS H 1 89 GLY H . . 4.400 3.467 2.285 4.283 . 0 0 "[ . 1 . 2]" 1 1828 1 88 LYS H 1 91 HIS H . . 3.510 3.075 2.725 3.415 . 0 0 "[ . 1 . 2]" 1 1829 1 88 LYS H 1 91 HIS HB2 . . 5.500 4.310 3.947 4.788 . 0 0 "[ . 1 . 2]" 1 1830 1 88 LYS H 1 91 HIS HB3 . . 5.500 2.740 2.372 3.196 . 0 0 "[ . 1 . 2]" 1 1831 1 88 LYS HA 1 88 LYS QD . . 5.120 3.595 2.259 4.085 . 0 0 "[ . 1 . 2]" 1 1832 1 88 LYS HA 1 88 LYS QG . . 3.800 2.206 2.053 2.607 . 0 0 "[ . 1 . 2]" 1 1833 1 88 LYS HA 1 91 HIS H . . 5.500 4.968 4.260 5.585 0.085 15 0 "[ . 1 . 2]" 1 1834 1 88 LYS HB3 1 88 LYS QE . . 4.350 2.830 2.117 3.997 . 0 0 "[ . 1 . 2]" 1 1835 1 88 LYS HB3 1 89 GLY H . . 4.650 2.541 1.945 3.133 . 0 0 "[ . 1 . 2]" 1 1836 1 88 LYS HB3 1 90 ASN H . . 5.120 5.034 4.794 5.207 0.087 16 0 "[ . 1 . 2]" 1 1837 1 88 LYS QE 1 88 LYS QG . . 3.440 2.431 2.076 2.887 . 0 0 "[ . 1 . 2]" 1 1838 1 88 LYS QG 1 89 GLY H . . 5.100 3.912 3.029 4.476 . 0 0 "[ . 1 . 2]" 1 1839 1 89 GLY H 1 90 ASN H . . 4.690 3.275 2.524 4.275 . 0 0 "[ . 1 . 2]" 1 1840 1 90 ASN H 1 90 ASN HD21 . . 5.500 3.784 3.047 4.791 . 0 0 "[ . 1 . 2]" 1 1841 1 90 ASN H 1 90 ASN HD22 . . 5.500 4.414 3.742 5.289 . 0 0 "[ . 1 . 2]" 1 1842 1 90 ASN H 1 91 HIS H . . 3.560 2.740 1.997 3.287 . 0 0 "[ . 1 . 2]" 1 1843 1 90 ASN HA 1 90 ASN HD21 . . 3.960 2.522 2.131 3.330 . 0 0 "[ . 1 . 2]" 1 1844 1 90 ASN HA 1 90 ASN HD22 . . 4.930 3.889 3.555 4.250 . 0 0 "[ . 1 . 2]" 1 1845 1 90 ASN HA 1 91 HIS H . . 3.540 2.732 2.224 3.205 . 0 0 "[ . 1 . 2]" 1 1846 1 90 ASN HA 1 91 HIS HB3 . . 5.250 5.112 4.564 5.340 0.090 4 0 "[ . 1 . 2]" 1 1847 1 90 ASN HA 1 92 ILE MD . . 5.440 4.124 3.607 4.453 . 0 0 "[ . 1 . 2]" 1 1848 1 90 ASN HB2 1 91 HIS H . . 5.260 4.335 3.879 4.587 . 0 0 "[ . 1 . 2]" 1 1849 1 90 ASN HB3 1 90 ASN HD21 . . 3.400 2.728 2.478 3.344 . 0 0 "[ . 1 . 2]" 1 1850 1 90 ASN HB3 1 90 ASN HD22 . . 3.600 3.671 3.591 3.926 0.326 19 0 "[ . 1 . 2]" 1 1851 1 90 ASN HD21 1 92 ILE MD . . 5.500 5.490 4.909 5.600 0.100 19 0 "[ . 1 . 2]" 1 1852 1 91 HIS H 1 91 HIS HB2 . . 3.500 3.080 2.535 3.356 . 0 0 "[ . 1 . 2]" 1 1853 1 91 HIS H 1 91 HIS HB3 . . 3.380 2.498 2.222 2.692 . 0 0 "[ . 1 . 2]" 1 1854 1 91 HIS H 1 91 HIS HD2 . . 5.080 4.939 4.806 5.084 0.004 2 0 "[ . 1 . 2]" 1 1855 1 91 HIS H 1 92 ILE H . . 4.740 4.322 4.140 4.557 . 0 0 "[ . 1 . 2]" 1 1856 1 91 HIS H 1 92 ILE MD . . 5.460 4.119 3.521 5.050 . 0 0 "[ . 1 . 2]" 1 1857 1 91 HIS HA 1 91 HIS HD2 . . 3.550 2.585 2.360 2.822 . 0 0 "[ . 1 . 2]" 1 1858 1 91 HIS HA 1 92 ILE H . . 3.150 2.176 2.111 2.235 . 0 0 "[ . 1 . 2]" 1 1859 1 91 HIS HA 1 92 ILE HA . . 5.100 4.494 4.431 4.589 . 0 0 "[ . 1 . 2]" 1 1860 1 91 HIS HA 1 92 ILE HB . . 5.500 4.719 4.497 4.897 . 0 0 "[ . 1 . 2]" 1 1861 1 91 HIS HA 1 92 ILE MD . . 4.760 4.103 3.851 4.320 . 0 0 "[ . 1 . 2]" 1 1862 1 91 HIS HA 1 92 ILE QG . . 4.330 3.465 3.222 3.930 . 0 0 "[ . 1 . 2]" 1 1863 1 91 HIS HB2 1 92 ILE H . . 4.490 4.213 4.068 4.343 . 0 0 "[ . 1 . 2]" 1 1864 1 91 HIS HB3 1 92 ILE H . . 4.410 4.265 4.134 4.405 . 0 0 "[ . 1 . 2]" 1 1865 1 91 HIS HB3 1 92 ILE MD . . 5.500 5.359 5.095 5.595 0.095 9 0 "[ . 1 . 2]" 1 1866 1 91 HIS HB3 1 93 LEU MD2 . . 5.500 4.515 4.081 4.815 . 0 0 "[ . 1 . 2]" 1 1867 1 91 HIS HD2 1 92 ILE H . . 3.860 1.973 1.866 2.169 . 0 0 "[ . 1 . 2]" 1 1868 1 91 HIS HD2 1 92 ILE QG . . 4.900 4.114 3.888 4.470 . 0 0 "[ . 1 . 2]" 1 1869 1 91 HIS HD2 1 92 ILE MG . . 4.800 4.893 4.786 4.912 0.112 15 0 "[ . 1 . 2]" 1 1870 1 91 HIS HD2 1 93 LEU H . . 5.010 4.890 4.616 5.094 0.084 20 0 "[ . 1 . 2]" 1 1871 1 91 HIS HD2 1 93 LEU MD1 . . 5.020 5.046 4.734 5.137 0.117 19 0 "[ . 1 . 2]" 1 1872 1 91 HIS HE1 1 93 LEU MD1 . . 3.570 3.636 3.267 3.694 0.124 15 0 "[ . 1 . 2]" 1 1873 1 92 ILE H 1 92 ILE HB . . 3.540 2.608 2.424 2.710 . 0 0 "[ . 1 . 2]" 1 1874 1 92 ILE H 1 92 ILE MD . . 3.420 3.343 3.148 3.512 0.092 16 0 "[ . 1 . 2]" 1 1875 1 92 ILE H 1 92 ILE QG . . 3.630 2.289 2.154 2.450 . 0 0 "[ . 1 . 2]" 1 1876 1 92 ILE H 1 92 ILE MG . . 3.760 3.789 3.702 3.840 0.080 14 0 "[ . 1 . 2]" 1 1877 1 92 ILE H 1 93 LEU H . . 4.510 4.438 4.361 4.504 . 0 0 "[ . 1 . 2]" 1 1878 1 92 ILE HA 1 92 ILE MD . . 3.600 2.396 2.333 2.508 . 0 0 "[ . 1 . 2]" 1 1879 1 92 ILE HA 1 92 ILE QG . . 3.930 3.231 3.179 3.292 . 0 0 "[ . 1 . 2]" 1 1880 1 92 ILE HA 1 92 ILE MG . . 3.440 2.171 2.076 2.230 . 0 0 "[ . 1 . 2]" 1 1881 1 92 ILE HA 1 93 LEU H . . 3.070 2.158 2.108 2.195 . 0 0 "[ . 1 . 2]" 1 1882 1 92 ILE HB 1 93 LEU H . . 5.500 4.096 4.022 4.265 . 0 0 "[ . 1 . 2]" 1 1883 1 92 ILE MD 1 93 LEU H . . 4.260 4.166 3.995 4.317 0.057 14 0 "[ . 1 . 2]" 1 1884 1 92 ILE QG 1 92 ILE MG . . 3.090 2.285 2.174 2.380 . 0 0 "[ . 1 . 2]" 1 1885 1 92 ILE QG 1 93 LEU H . . 4.900 4.888 4.827 4.940 0.040 16 0 "[ . 1 . 2]" 1 1886 1 92 ILE MG 1 93 LEU H . . 3.420 2.734 2.592 2.930 . 0 0 "[ . 1 . 2]" 1 1887 1 92 ILE MG 1 93 LEU HB2 . . 4.500 4.123 3.953 4.369 . 0 0 "[ . 1 . 2]" 1 1888 1 92 ILE MG 1 94 ALA H . . 4.390 3.487 2.818 3.890 . 0 0 "[ . 1 . 2]" 1 1889 1 92 ILE MG 1 94 ALA MB . . 4.030 3.446 3.219 3.652 . 0 0 "[ . 1 . 2]" 1 1890 1 92 ILE MG 1 95 LYS H . . 4.580 4.634 4.448 4.693 0.113 2 0 "[ . 1 . 2]" 1 1891 1 93 LEU H 1 93 LEU HB2 . . 3.620 2.305 2.185 2.384 . 0 0 "[ . 1 . 2]" 1 1892 1 93 LEU H 1 93 LEU HB3 . . 3.510 3.545 3.453 3.588 0.078 13 0 "[ . 1 . 2]" 1 1893 1 93 LEU H 1 93 LEU MD1 . . 4.290 3.969 3.653 4.145 . 0 0 "[ . 1 . 2]" 1 1894 1 93 LEU H 1 93 LEU MD2 . . 4.420 2.446 2.102 2.714 . 0 0 "[ . 1 . 2]" 1 1895 1 93 LEU H 1 93 LEU HG . . 4.220 4.080 3.825 4.279 0.059 15 0 "[ . 1 . 2]" 1 1896 1 93 LEU H 1 94 ALA H . . 4.720 4.122 3.777 4.363 . 0 0 "[ . 1 . 2]" 1 1897 1 93 LEU HA 1 93 LEU MD1 . . 3.460 2.158 2.030 2.294 . 0 0 "[ . 1 . 2]" 1 1898 1 93 LEU HA 1 93 LEU MD2 . . 3.280 2.713 2.343 2.983 . 0 0 "[ . 1 . 2]" 1 1899 1 93 LEU HA 1 94 ALA H . . 3.090 2.202 2.002 2.444 . 0 0 "[ . 1 . 2]" 1 1900 1 93 LEU HA 1 94 ALA MB . . 4.750 4.015 3.840 4.172 . 0 0 "[ . 1 . 2]" 1 1901 1 93 LEU HB2 1 93 LEU MD2 . . 3.250 2.415 2.195 2.593 . 0 0 "[ . 1 . 2]" 1 1902 1 93 LEU HB2 1 94 ALA H . . 4.670 4.459 4.333 4.586 . 0 0 "[ . 1 . 2]" 1 1903 1 93 LEU HB3 1 93 LEU MD2 . . 3.580 3.221 3.149 3.250 . 0 0 "[ . 1 . 2]" 1 1904 1 93 LEU HB3 1 94 ALA H . . 4.300 3.794 3.424 4.292 . 0 0 "[ . 1 . 2]" 1 1905 1 93 LEU MD1 1 94 ALA H . . 4.140 3.766 3.470 4.238 0.098 14 0 "[ . 1 . 2]" 1 1906 1 93 LEU MD2 1 94 ALA H . . 4.540 4.526 4.127 4.652 0.112 15 0 "[ . 1 . 2]" 1 1907 1 94 ALA H 1 94 ALA MB . . 3.090 2.220 2.081 2.315 . 0 0 "[ . 1 . 2]" 1 1908 1 94 ALA H 1 95 LYS H . . 4.780 4.503 4.428 4.590 . 0 0 "[ . 1 . 2]" 1 1909 1 94 ALA H 1 97 VAL QG . . 5.450 4.648 4.457 4.979 . 0 0 "[ . 1 . 2]" 1 1910 1 94 ALA HA 1 95 LYS H . . 3.210 2.138 2.055 2.234 . 0 0 "[ . 1 . 2]" 1 1911 1 94 ALA HA 1 95 LYS HB3 . . 5.410 4.151 4.000 4.423 . 0 0 "[ . 1 . 2]" 1 1912 1 94 ALA HA 1 96 GLU H . . 3.680 3.723 3.538 3.764 0.084 20 0 "[ . 1 . 2]" 1 1913 1 94 ALA MB 1 95 LYS H . . 3.760 2.889 2.524 3.197 . 0 0 "[ . 1 . 2]" 1 1914 1 94 ALA MB 1 95 LYS HB3 . . 5.310 4.895 4.761 5.093 . 0 0 "[ . 1 . 2]" 1 1915 1 94 ALA MB 1 96 GLU H . . 4.040 3.039 2.701 3.557 . 0 0 "[ . 1 . 2]" 1 1916 1 94 ALA MB 1 97 VAL QG . . 3.930 1.970 1.873 2.122 . 0 0 "[ . 1 . 2]" 1 1917 1 95 LYS H 1 95 LYS HB2 . . 3.820 3.725 3.629 3.865 0.045 2 0 "[ . 1 . 2]" 1 1918 1 95 LYS H 1 95 LYS HB3 . . 3.590 2.641 2.455 2.865 . 0 0 "[ . 1 . 2]" 1 1919 1 95 LYS H 1 95 LYS QD . . 4.590 4.187 3.918 4.547 . 0 0 "[ . 1 . 2]" 1 1920 1 95 LYS H 1 95 LYS HG2 . . 4.550 3.662 3.415 3.905 . 0 0 "[ . 1 . 2]" 1 1921 1 95 LYS H 1 95 LYS HG3 . . 4.250 2.685 2.496 3.166 . 0 0 "[ . 1 . 2]" 1 1922 1 95 LYS H 1 96 GLU H . . 2.930 2.144 1.992 2.339 . 0 0 "[ . 1 . 2]" 1 1923 1 95 LYS H 1 96 GLU HA . . 5.270 4.865 4.693 5.060 . 0 0 "[ . 1 . 2]" 1 1924 1 95 LYS H 1 96 GLU QG . . 5.220 3.609 3.259 3.868 . 0 0 "[ . 1 . 2]" 1 1925 1 95 LYS H 1 97 VAL QG . . 5.500 4.193 3.744 4.681 . 0 0 "[ . 1 . 2]" 1 1926 1 95 LYS HA 1 95 LYS QD . . 3.400 3.491 3.465 3.505 0.105 1 0 "[ . 1 . 2]" 1 1927 1 95 LYS HA 1 95 LYS QE . . 5.500 4.936 4.219 5.377 . 0 0 "[ . 1 . 2]" 1 1928 1 95 LYS HB2 1 95 LYS QD . . 3.700 2.291 2.110 2.554 . 0 0 "[ . 1 . 2]" 1 1929 1 95 LYS HB3 1 95 LYS QD . . 3.800 3.356 3.173 3.492 . 0 0 "[ . 1 . 2]" 1 1930 1 95 LYS HB3 1 96 GLU H . . 4.230 4.088 3.685 4.274 0.044 13 0 "[ . 1 . 2]" 1 1931 1 95 LYS QD 1 96 GLU H . . 4.820 3.773 3.530 4.112 . 0 0 "[ . 1 . 2]" 1 1932 1 95 LYS QD 1 96 GLU HB3 . . 4.470 2.299 2.101 2.732 . 0 0 "[ . 1 . 2]" 1 1933 1 95 LYS QE 1 95 LYS HG3 . . 3.890 3.108 2.458 3.405 . 0 0 "[ . 1 . 2]" 1 1934 1 95 LYS HG2 1 96 GLU H . . 5.230 4.404 4.100 4.767 . 0 0 "[ . 1 . 2]" 1 1935 1 95 LYS HG3 1 96 GLU H . . 4.660 2.771 2.492 3.172 . 0 0 "[ . 1 . 2]" 1 1936 1 95 LYS HG3 1 96 GLU HB3 . . 3.840 3.125 2.414 3.801 . 0 0 "[ . 1 . 2]" 1 1937 1 95 LYS HG3 1 96 GLU QG . . 5.500 2.647 2.354 3.161 . 0 0 "[ . 1 . 2]" 1 1938 1 96 GLU H 1 96 GLU HB2 . . 3.820 3.889 3.856 3.911 0.091 11 0 "[ . 1 . 2]" 1 1939 1 96 GLU H 1 96 GLU HB3 . . 3.380 3.249 3.086 3.427 0.047 12 0 "[ . 1 . 2]" 1 1940 1 96 GLU H 1 96 GLU QG . . 3.940 2.319 2.182 2.588 . 0 0 "[ . 1 . 2]" 1 1941 1 96 GLU H 1 97 VAL H . . 3.470 2.110 1.847 2.368 . 0 0 "[ . 1 . 2]" 1 1942 1 96 GLU H 1 97 VAL QG . . 4.770 3.373 3.183 3.629 . 0 0 "[ . 1 . 2]" 1 1943 1 96 GLU HA 1 96 GLU QG . . 3.900 3.385 3.316 3.440 . 0 0 "[ . 1 . 2]" 1 1944 1 96 GLU HA 1 97 VAL H . . 3.620 3.520 3.280 3.635 0.015 19 0 "[ . 1 . 2]" 1 1945 1 96 GLU HA 1 97 VAL HB . . 4.420 4.499 4.473 4.510 0.090 16 0 "[ . 1 . 2]" 1 1946 1 96 GLU HA 1 97 VAL QG . . 4.780 4.190 3.713 4.592 . 0 0 "[ . 1 . 2]" 1 1947 1 96 GLU HB2 1 97 VAL H . . 4.120 3.825 3.620 4.195 0.075 18 0 "[ . 1 . 2]" 1 1948 1 96 GLU QG 1 97 VAL H . . 3.650 2.303 1.948 2.917 . 0 0 "[ . 1 . 2]" 1 1949 1 96 GLU QG 1 98 LEU H . . 4.910 4.228 3.508 4.659 . 0 0 "[ . 1 . 2]" 1 1950 1 96 GLU QG 1 98 LEU QD . . 3.740 2.621 1.740 3.145 . 0 0 "[ . 1 . 2]" 1 1951 1 96 GLU QG 1 98 LEU HG . . 4.620 2.659 2.224 3.605 . 0 0 "[ . 1 . 2]" 1 1952 1 97 VAL H 1 97 VAL HA . . 2.710 2.227 2.170 2.380 . 0 0 "[ . 1 . 2]" 1 1953 1 97 VAL H 1 97 VAL HB . . 3.470 3.504 3.237 3.561 0.091 8 0 "[ . 1 . 2]" 1 1954 1 97 VAL H 1 97 VAL QG . . 3.610 2.622 2.160 2.850 . 0 0 "[ . 1 . 2]" 1 1955 1 97 VAL H 1 98 LEU H . . 4.090 3.931 3.475 4.172 0.082 19 0 "[ . 1 . 2]" 1 1956 1 97 VAL HA 1 98 LEU H . . 2.970 2.170 2.046 2.360 . 0 0 "[ . 1 . 2]" 1 1957 1 97 VAL HB 1 98 LEU H . . 4.680 4.334 4.028 4.596 . 0 0 "[ . 1 . 2]" 1 1958 1 97 VAL QG 1 98 LEU H . . 3.500 2.702 2.178 3.279 . 0 0 "[ . 1 . 2]" 1 1959 1 97 VAL QG 1 98 LEU HA . . 5.160 3.722 3.294 4.180 . 0 0 "[ . 1 . 2]" 1 1960 1 97 VAL QG 1 98 LEU HB2 . . 5.100 4.649 4.310 4.968 . 0 0 "[ . 1 . 2]" 1 1961 1 97 VAL QG 1 99 ALA H . . 5.130 4.762 4.266 5.097 . 0 0 "[ . 1 . 2]" 1 1962 1 98 LEU H 1 98 LEU HB2 . . 3.800 2.588 2.403 2.684 . 0 0 "[ . 1 . 2]" 1 1963 1 98 LEU H 1 98 LEU HB3 . . 3.710 3.727 3.576 3.782 0.072 8 0 "[ . 1 . 2]" 1 1964 1 98 LEU H 1 98 LEU QD . . 3.960 3.354 2.091 3.772 . 0 0 "[ . 1 . 2]" 1 1965 1 98 LEU H 1 98 LEU HG . . 3.800 3.179 2.431 3.897 0.097 15 0 "[ . 1 . 2]" 1 1966 1 98 LEU H 1 99 ALA H . . 4.500 4.410 4.270 4.545 0.045 18 0 "[ . 1 . 2]" 1 1967 1 98 LEU HA 1 98 LEU QD . . 3.630 2.273 2.136 2.831 . 0 0 "[ . 1 . 2]" 1 1968 1 98 LEU HA 1 99 ALA H . . 3.050 2.375 2.169 2.560 . 0 0 "[ . 1 . 2]" 1 1969 1 98 LEU HB2 1 99 ALA H . . 3.800 3.783 2.967 3.890 0.090 15 0 "[ . 1 . 2]" 1 1970 1 98 LEU HB3 1 99 ALA H . . 4.150 2.749 1.988 3.050 . 0 0 "[ . 1 . 2]" 1 1971 1 98 LEU HB3 1 100 LYS H . . 4.240 3.182 2.494 3.771 . 0 0 "[ . 1 . 2]" 1 1972 1 98 LEU QD 1 99 ALA H . . 3.790 3.534 3.204 3.740 . 0 0 "[ . 1 . 2]" 1 1973 1 98 LEU HG 1 99 ALA H . . 5.330 4.992 4.718 5.270 . 0 0 "[ . 1 . 2]" 1 1974 1 99 ALA H 1 99 ALA MB . . 3.140 2.430 2.309 2.647 . 0 0 "[ . 1 . 2]" 1 1975 1 99 ALA H 1 100 LYS H . . 4.410 2.886 2.215 3.349 . 0 0 "[ . 1 . 2]" 1 1976 1 99 ALA H 1 101 HIS H . . 5.230 3.392 2.963 3.986 . 0 0 "[ . 1 . 2]" 1 1977 1 99 ALA H 1 101 HIS HD2 . . 5.140 3.706 2.621 4.906 . 0 0 "[ . 1 . 2]" 1 1978 1 99 ALA HA 1 100 LYS H . . 3.090 2.788 2.442 3.157 0.067 13 0 "[ . 1 . 2]" 1 1979 1 99 ALA MB 1 100 LYS H . . 3.940 3.722 3.544 3.810 . 0 0 "[ . 1 . 2]" 1 1980 1 99 ALA MB 1 101 HIS H . . 4.120 3.913 3.467 4.218 0.098 2 0 "[ . 1 . 2]" 1 1981 1 100 LYS H 1 100 LYS HB2 . . 3.530 3.217 2.890 3.511 . 0 0 "[ . 1 . 2]" 1 1982 1 100 LYS H 1 100 LYS QD . . 4.220 3.793 3.282 4.316 0.096 16 0 "[ . 1 . 2]" 1 1983 1 100 LYS H 1 100 LYS QE . . 5.500 4.914 3.162 5.542 0.042 20 0 "[ . 1 . 2]" 1 1984 1 100 LYS H 1 100 LYS QG . . 3.570 2.608 2.313 3.202 . 0 0 "[ . 1 . 2]" 1 1985 1 100 LYS H 1 101 HIS H . . 4.530 3.132 2.863 3.443 . 0 0 "[ . 1 . 2]" 1 1986 1 100 LYS H 1 101 HIS HD2 . . 5.480 4.485 3.665 5.496 0.016 18 0 "[ . 1 . 2]" 1 1987 1 100 LYS HA 1 100 LYS QE . . 4.710 3.991 1.833 4.778 0.068 13 0 "[ . 1 . 2]" 1 1988 1 100 LYS HA 1 100 LYS QG . . 3.750 2.520 2.115 2.814 . 0 0 "[ . 1 . 2]" 1 1989 1 100 LYS HA 1 101 HIS HD2 . . 4.760 4.488 3.224 4.838 0.078 4 0 "[ . 1 . 2]" 1 1990 1 100 LYS HB2 1 100 LYS QE . . 4.150 3.697 2.704 4.247 0.097 18 0 "[ . 1 . 2]" 1 1991 1 100 LYS HB2 1 101 HIS HA . . 5.470 5.321 5.046 5.522 0.052 16 0 "[ . 1 . 2]" 1 1992 1 100 LYS QD 1 101 HIS H . . 5.500 4.960 4.154 5.595 0.095 13 0 "[ . 1 . 2]" 1 1993 1 101 HIS H 1 101 HIS QB . . 3.710 2.885 2.585 3.048 . 0 0 "[ . 1 . 2]" 1 1994 1 101 HIS H 1 101 HIS HE1 . . 4.620 4.538 3.892 4.701 0.081 2 0 "[ . 1 . 2]" 1 1995 1 101 HIS H 1 102 ASP QB . . 5.080 5.145 4.906 5.193 0.113 19 0 "[ . 1 . 2]" 1 1996 1 101 HIS H 1 103 GLU QB . . 4.770 4.302 3.002 4.714 . 0 0 "[ . 1 . 2]" 1 1997 1 101 HIS H 1 103 GLU QG . . 4.430 3.886 2.356 4.530 0.100 7 0 "[ . 1 . 2]" 1 1998 1 101 HIS QB 1 102 ASP H . . 5.210 3.451 1.857 4.085 . 0 0 "[ . 1 . 2]" 1 1999 1 101 HIS HE1 1 103 GLU QG . . 4.400 4.218 2.321 4.506 0.106 15 0 "[ . 1 . 2]" 1 2000 1 102 ASP QB 1 103 GLU H . . 4.150 3.580 2.193 4.100 . 0 0 "[ . 1 . 2]" 1 2001 1 103 GLU H 1 103 GLU QB . . 3.890 2.680 2.017 3.305 . 0 0 "[ . 1 . 2]" 1 2002 1 103 GLU H 1 103 GLU QG . . 4.060 2.975 2.096 4.035 . 0 0 "[ . 1 . 2]" 1 2003 1 103 GLU HA 1 103 GLU QG . . 3.480 2.855 2.134 3.558 0.078 12 0 "[ . 1 . 2]" 1 2004 1 103 GLU HA 1 104 ASN QB . . 5.040 4.180 3.599 4.848 . 0 0 "[ . 1 . 2]" 1 2005 1 103 GLU QB 1 104 ASN H . . 5.080 3.141 2.251 3.937 . 0 0 "[ . 1 . 2]" 1 2006 1 104 ASN QB 1 105 TYR H . . 4.780 2.866 1.799 4.041 . 0 0 "[ . 1 . 2]" 1 2007 1 105 TYR H 1 105 TYR HB2 . . 3.690 3.071 2.282 3.771 0.081 16 0 "[ . 1 . 2]" 1 2008 1 105 TYR H 1 105 TYR HB3 . . 3.670 2.762 2.197 3.742 0.072 1 0 "[ . 1 . 2]" 1 2009 1 105 TYR H 1 105 TYR QD . . 4.400 4.087 2.299 4.470 0.070 1 0 "[ . 1 . 2]" 1 2010 1 105 TYR HA 1 105 TYR QD . . 3.990 2.917 2.099 3.814 . 0 0 "[ . 1 . 2]" 1 2011 1 105 TYR HA 1 106 THR H . . 3.300 2.309 2.014 2.697 . 0 0 "[ . 1 . 2]" 1 2012 1 105 TYR HB2 1 106 THR H . . 4.620 4.035 2.245 4.546 . 0 0 "[ . 1 . 2]" 1 2013 1 105 TYR HB3 1 106 THR H . . 4.510 4.087 3.493 4.537 0.027 18 0 "[ . 1 . 2]" 1 2014 1 105 TYR QD 1 106 THR H . . 4.930 3.184 2.450 3.824 . 0 0 "[ . 1 . 2]" 1 2015 1 105 TYR QE 1 106 THR H . . 4.930 4.428 3.520 5.018 0.088 4 0 "[ . 1 . 2]" 1 2016 1 105 TYR QE 1 107 PRO HA . . 3.650 2.772 2.063 3.457 . 0 0 "[ . 1 . 2]" 1 2017 1 105 TYR QE 1 107 PRO HB3 . . 5.490 3.806 2.278 5.551 0.061 18 0 "[ . 1 . 2]" 1 2018 1 105 TYR QE 1 108 PRO HD3 . . 4.440 4.031 2.907 4.521 0.081 3 0 "[ . 1 . 2]" 1 2019 1 106 THR H 1 106 THR HB . . 4.080 2.574 2.197 2.886 . 0 0 "[ . 1 . 2]" 1 2020 1 106 THR H 1 106 THR MG . . 4.730 3.820 3.550 3.980 . 0 0 "[ . 1 . 2]" 1 2021 1 106 THR H 1 107 PRO HD3 . . 5.500 4.587 4.145 4.900 . 0 0 "[ . 1 . 2]" 1 2022 1 106 THR HA 1 106 THR MG . . 3.170 2.474 2.293 2.747 . 0 0 "[ . 1 . 2]" 1 2023 1 106 THR HA 1 107 PRO HD2 . . 3.590 2.307 2.088 2.891 . 0 0 "[ . 1 . 2]" 1 2024 1 106 THR HA 1 107 PRO HD3 . . 3.540 2.378 1.964 2.565 . 0 0 "[ . 1 . 2]" 1 2025 1 106 THR HA 1 107 PRO HG2 . . 4.530 4.446 4.306 4.589 0.059 5 0 "[ . 1 . 2]" 1 2026 1 106 THR HB 1 107 PRO HD2 . . 4.990 4.408 4.109 4.881 . 0 0 "[ . 1 . 2]" 1 2027 1 106 THR HB 1 107 PRO HD3 . . 5.120 5.022 4.712 5.170 0.050 3 0 "[ . 1 . 2]" 1 2028 1 106 THR MG 1 107 PRO HD2 . . 4.140 2.437 2.117 2.948 . 0 0 "[ . 1 . 2]" 1 2029 1 106 THR MG 1 107 PRO HD3 . . 3.990 3.659 3.267 4.074 0.084 10 0 "[ . 1 . 2]" 1 2030 1 106 THR MG 1 110 VAL HB . . 3.830 3.823 2.936 3.938 0.108 18 0 "[ . 1 . 2]" 1 2031 1 106 THR MG 1 111 GLU H . . 5.010 3.868 2.968 4.448 . 0 0 "[ . 1 . 2]" 1 2032 1 106 THR MG 1 111 GLU HA . . 4.220 4.086 2.735 4.328 0.108 20 0 "[ . 1 . 2]" 1 2033 1 106 THR MG 1 111 GLU QB . . 4.330 3.656 2.188 4.241 . 0 0 "[ . 1 . 2]" 1 2034 1 107 PRO HA 1 108 PRO HD2 . . 3.870 2.841 2.218 3.196 . 0 0 "[ . 1 . 2]" 1 2035 1 107 PRO HA 1 108 PRO HD3 . . 3.730 2.532 2.204 2.796 . 0 0 "[ . 1 . 2]" 1 2036 1 107 PRO HB2 1 108 PRO HD2 . . 4.380 2.327 2.014 3.330 . 0 0 "[ . 1 . 2]" 1 2037 1 107 PRO HB2 1 108 PRO HD3 . . 4.400 3.605 3.091 4.465 0.065 6 0 "[ . 1 . 2]" 1 2038 1 107 PRO HB3 1 108 PRO HD2 . . 4.420 2.979 2.206 3.656 . 0 0 "[ . 1 . 2]" 1 2039 1 107 PRO HB3 1 108 PRO HD3 . . 4.850 3.825 3.098 4.564 . 0 0 "[ . 1 . 2]" 1 2040 1 107 PRO HD2 1 110 VAL HB . . 4.650 4.502 3.893 4.720 0.070 7 0 "[ . 1 . 2]" 1 2041 1 107 PRO HD2 1 110 VAL QG . . 4.640 2.614 2.101 3.828 . 0 0 "[ . 1 . 2]" 1 2042 1 107 PRO HD3 1 110 VAL QG . . 4.780 3.906 3.483 4.455 . 0 0 "[ . 1 . 2]" 1 2043 1 108 PRO HA 1 109 GLU H . . 3.460 3.245 2.433 3.542 0.082 6 0 "[ . 1 . 2]" 1 2044 1 108 PRO HA 1 110 VAL H . . 3.800 3.774 3.172 3.889 0.089 1 0 "[ . 1 . 2]" 1 2045 1 108 PRO HB2 1 109 GLU H . . 3.840 2.778 2.086 3.391 . 0 0 "[ . 1 . 2]" 1 2046 1 108 PRO HB2 1 110 VAL QG . . 4.950 4.935 4.712 5.007 0.057 18 0 "[ . 1 . 2]" 1 2047 1 108 PRO HB3 1 109 GLU H . . 4.040 3.853 3.288 4.121 0.081 17 0 "[ . 1 . 2]" 1 2048 1 108 PRO HD2 1 109 GLU H . . 5.010 3.472 2.307 5.085 0.075 11 0 "[ . 1 . 2]" 1 2049 1 108 PRO HD3 1 109 GLU H . . 5.480 4.369 3.702 5.462 . 0 0 "[ . 1 . 2]" 1 2050 1 108 PRO HG2 1 109 GLU H . . 3.740 2.924 2.145 3.819 0.079 3 0 "[ . 1 . 2]" 1 2051 1 108 PRO HG2 1 109 GLU HA . . 5.500 4.797 3.963 5.581 0.081 1 0 "[ . 1 . 2]" 1 2052 1 109 GLU H 1 109 GLU QG . . 3.890 3.279 2.505 3.969 0.079 15 0 "[ . 1 . 2]" 1 2053 1 109 GLU H 1 110 VAL H . . 4.690 3.244 2.624 3.633 . 0 0 "[ . 1 . 2]" 1 2054 1 109 GLU H 1 110 VAL QG . . 5.500 3.334 2.849 4.075 . 0 0 "[ . 1 . 2]" 1 2055 1 109 GLU HA 1 110 VAL H . . 3.140 2.616 2.260 3.141 0.001 2 0 "[ . 1 . 2]" 1 2056 1 109 GLU HB2 1 110 VAL H . . 4.990 4.465 4.213 4.610 . 0 0 "[ . 1 . 2]" 1 2057 1 109 GLU HB2 1 110 VAL QG . . 4.780 4.249 3.327 4.780 . 0 0 "[ . 1 . 2]" 1 2058 1 109 GLU HB3 1 110 VAL H . . 5.500 4.351 3.785 4.666 . 0 0 "[ . 1 . 2]" 1 2059 1 109 GLU HB3 1 110 VAL HA . . 5.500 5.055 4.520 5.452 . 0 0 "[ . 1 . 2]" 1 2060 1 110 VAL H 1 110 VAL QG . . 3.240 2.470 2.100 2.689 . 0 0 "[ . 1 . 2]" 1 2061 1 110 VAL H 1 111 GLU H . . 3.890 2.048 1.597 3.925 0.035 8 0 "[ . 1 . 2]" 1 2062 1 110 VAL H 1 111 GLU QG . . 5.430 4.563 2.926 5.531 0.101 8 0 "[ . 1 . 2]" 1 2063 1 110 VAL HA 1 110 VAL QG . . 3.260 2.341 2.146 2.599 . 0 0 "[ . 1 . 2]" 1 2064 1 110 VAL HA 1 111 GLU H . . 3.580 3.544 3.078 3.641 0.061 16 0 "[ . 1 . 2]" 1 2065 1 110 VAL HB 1 111 GLU H . . 3.910 3.648 2.117 3.987 0.077 19 0 "[ . 1 . 2]" 1 2066 1 110 VAL HB 1 111 GLU HA . . 5.500 4.968 3.447 5.576 0.076 19 0 "[ . 1 . 2]" 1 2067 1 110 VAL QG 1 111 GLU H . . 3.820 2.147 1.621 3.428 . 0 0 "[ . 1 . 2]" 1 2068 1 110 VAL QG 1 111 GLU QG . . 4.330 3.793 2.704 4.362 0.032 12 0 "[ . 1 . 2]" 1 2069 1 110 VAL QG 1 112 LYS H . . 5.060 4.373 3.890 4.741 . 0 0 "[ . 1 . 2]" 1 2070 1 110 VAL QG 1 114 MET ME . . 4.730 2.966 2.142 4.313 . 0 0 "[ . 1 . 2]" 1 2071 1 110 VAL QG 1 114 MET HG2 . . 5.220 3.698 2.109 4.875 . 0 0 "[ . 1 . 2]" 1 2072 1 110 VAL QG 1 114 MET HG3 . . 5.120 3.430 2.041 4.489 . 0 0 "[ . 1 . 2]" 1 2073 1 111 GLU H 1 111 GLU QB . . 3.490 2.323 1.955 2.914 . 0 0 "[ . 1 . 2]" 1 2074 1 111 GLU H 1 111 GLU QG . . 4.390 3.213 1.924 4.491 0.101 8 0 "[ . 1 . 2]" 1 2075 1 111 GLU HA 1 111 GLU QG . . 3.860 2.744 2.059 3.510 . 0 0 "[ . 1 . 2]" 1 2076 1 111 GLU QB 1 112 LYS H . . 3.700 2.608 1.843 3.470 . 0 0 "[ . 1 . 2]" 1 2077 1 111 GLU QB 1 112 LYS HB2 . . 4.110 3.785 2.928 4.082 . 0 0 "[ . 1 . 2]" 1 2078 1 111 GLU QG 1 112 LYS H . . 4.570 3.368 1.823 4.635 0.065 17 0 "[ . 1 . 2]" 1 2079 1 112 LYS H 1 112 LYS HB2 . . 3.610 3.109 2.523 3.508 . 0 0 "[ . 1 . 2]" 1 2080 1 112 LYS H 1 112 LYS HB3 . . 3.810 3.086 2.540 3.549 . 0 0 "[ . 1 . 2]" 1 2081 1 112 LYS H 1 112 LYS QG . . 4.470 4.288 4.070 4.442 . 0 0 "[ . 1 . 2]" 1 2082 1 112 LYS H 1 113 ALA MB . . 5.500 3.904 2.769 5.460 . 0 0 "[ . 1 . 2]" 1 2083 1 112 LYS HB3 1 112 LYS QE . . 4.720 3.788 2.544 4.399 . 0 0 "[ . 1 . 2]" 1 2084 1 112 LYS QD 1 113 ALA HA . . 5.030 4.325 2.957 5.108 0.078 5 0 "[ . 1 . 2]" 1 2085 1 112 LYS QE 1 113 ALA HA . . 5.280 4.477 2.525 5.370 0.090 18 0 "[ . 1 . 2]" 1 2086 1 113 ALA H 1 113 ALA MB . . 3.420 2.672 2.151 3.039 . 0 0 "[ . 1 . 2]" 1 2087 1 113 ALA HA 1 114 MET H . . 3.520 2.934 2.145 3.574 0.054 10 0 "[ . 1 . 2]" 1 2088 1 113 ALA MB 1 114 MET H . . 3.860 3.105 1.948 3.750 . 0 0 "[ . 1 . 2]" 1 2089 1 114 MET H 1 114 MET HB2 . . 3.760 2.597 2.277 3.817 0.057 2 0 "[ . 1 . 2]" 1 2090 1 114 MET H 1 114 MET HB3 . . 3.740 3.546 2.797 3.850 0.110 18 0 "[ . 1 . 2]" 1 2091 1 114 MET H 1 114 MET HG2 . . 4.550 3.188 2.017 4.533 . 0 0 "[ . 1 . 2]" 1 2092 1 114 MET H 1 114 MET HG3 . . 4.540 3.688 2.648 4.634 0.094 20 0 "[ . 1 . 2]" 1 2093 1 114 MET HA 1 114 MET ME . . 5.500 4.009 2.052 5.469 . 0 0 "[ . 1 . 2]" 1 2094 1 114 MET ME 1 114 MET HG2 . . 3.520 2.636 2.296 3.441 . 0 0 "[ . 1 . 2]" 1 stop_ save_
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