NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
567309 | 2mbc | 19395 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mbc 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 2140 _Distance_constraint_stats_list.Viol_count 1923 _Distance_constraint_stats_list.Viol_total 3664.634 _Distance_constraint_stats_list.Viol_max 0.873 _Distance_constraint_stats_list.Viol_rms 0.0308 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0043 _Distance_constraint_stats_list.Viol_average_violations_only 0.0953 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details ; Description of the tags in this list: * 1 * Administrative tag * 2 * Administrative tag * 3 * Administrative tag * 4 * ID of the restraint list. * 5 * Number of restraints in list. * 6 * Number of violated restraints (each model violation is used). * 7 * Sum of violations in Angstrom. * 8 * Maximum violation of a restraint without averaging in any way. * 9 * Rms of violations over all restraints. * 10 * Average violation over all restraints. * 11 * Average violation over violated restraints. This violation is averaged over only those models in which the restraint is violated. These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998). * 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table. * 13 * This tag Description of the tags in the per residue table below: * 1 * Chain identifier (can be absent if none defined) * 2 * Residue number * 3 * Residue name * 4 * Maximum violation in ensemble of models (without any averaging) * 5 * Model number with the maximum violation * 6 * Number of models with a violation above cutoff * 7 * List of models (1 character per model) with a violation above cutoff. An '*' marks a violation above the cutoff. A '+' indicates the largest violation above the cutoff and a '-' marks the smallest violation over cutoff. For models 5, 15, 25,... a ' ' is replaced by a '.'. For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1. * 8 * Administrative tag * 9 * Administrative tag Description of the tags in the per restraint table below: * 1 * Restraint ID within restraint list. First node, FIRST member, first atom's: * 2 * Chain identifier (can be absent if none defined) * 3 * Residue number * 4 * Residue name * 5 * Name of (pseudo-)atom First node, SECOND member, first atom's: * 6 * Chain identifier (can be absent if none defined) * 7 * Residue number * 8 * Residue name * 9 * Name of (pseudo-)atom FIRST node's: * 10 * Target distance value (Angstrom) * 11 * Lower bound distance (Angstrom) * 12 * Upper bound distance (Angstrom) * 13 * Average distance in ensemble of models * 14 * Minimum distance in ensemble of models * 15 * Maximum distance in ensemble of models * 16 * Maximum violation (without any averaging) * 17 * Model number with the maximum violation * 18 * Number of models with a violation above cutoff * 19 * List of models with a violation above cutoff. See description above. * 20 * Administrative tag * 21 * Administrative tag ; loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 7 PRO 0.000 0.000 . 0 "[ . 1 . 2]" 1 8 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 9 PRO 0.649 0.094 8 0 "[ . 1 . 2]" 1 10 VAL 2.323 0.142 9 0 "[ . 1 . 2]" 1 11 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 12 VAL 0.589 0.131 6 0 "[ . 1 . 2]" 1 13 SER 0.060 0.029 6 0 "[ . 1 . 2]" 1 14 TYR 0.860 0.544 6 1 "[ .+ 1 . 2]" 1 15 LYS 0.540 0.280 6 0 "[ . 1 . 2]" 1 16 HIS 0.302 0.124 8 0 "[ . 1 . 2]" 1 17 MET 1.609 0.644 6 1 "[ .+ 1 . 2]" 1 18 ARG 0.419 0.299 6 0 "[ . 1 . 2]" 1 19 PHE 10.533 0.776 10 8 "[ - * * +** . **2]" 1 20 LEU 7.538 0.262 3 0 "[ . 1 . 2]" 1 21 ILE 4.110 0.269 20 0 "[ . 1 . 2]" 1 26 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 28 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 29 THR 0.466 0.159 1 0 "[ . 1 . 2]" 1 30 LEU 2.013 0.204 14 0 "[ . 1 . 2]" 1 31 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 32 THR 0.201 0.059 19 0 "[ . 1 . 2]" 1 33 PHE 0.605 0.160 4 0 "[ . 1 . 2]" 1 34 ILE 0.885 0.123 4 0 "[ . 1 . 2]" 1 35 GLU 0.280 0.059 19 0 "[ . 1 . 2]" 1 36 ASP 0.288 0.050 19 0 "[ . 1 . 2]" 1 37 LEU 1.682 0.141 14 0 "[ . 1 . 2]" 1 38 LYS 0.093 0.015 14 0 "[ . 1 . 2]" 1 39 LYS 0.387 0.045 11 0 "[ . 1 . 2]" 1 40 TYR 0.202 0.050 19 0 "[ . 1 . 2]" 1 41 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 42 ALA 1.363 0.107 10 0 "[ . 1 . 2]" 1 43 THR 1.471 0.186 4 0 "[ . 1 . 2]" 1 44 THR 0.249 0.042 8 0 "[ . 1 . 2]" 1 45 VAL 0.240 0.048 11 0 "[ . 1 . 2]" 1 46 VAL 0.188 0.188 10 0 "[ . 1 . 2]" 1 47 ARG 1.769 0.137 14 0 "[ . 1 . 2]" 1 49 CYS 2.826 0.873 8 1 "[ . + 1 . 2]" 1 50 GLU 2.415 0.324 2 0 "[ . 1 . 2]" 1 51 VAL 8.551 0.314 7 0 "[ . 1 . 2]" 1 52 THR 3.194 0.324 2 0 "[ . 1 . 2]" 1 53 TYR 2.549 0.314 7 0 "[ . 1 . 2]" 1 54 ASP 0.760 0.125 9 0 "[ . 1 . 2]" 1 55 LYS 0.795 0.360 11 0 "[ . 1 . 2]" 1 56 THR 0.009 0.009 16 0 "[ . 1 . 2]" 1 57 PRO 2.228 0.200 18 0 "[ . 1 . 2]" 1 58 LEU 1.721 0.204 14 0 "[ . 1 . 2]" 1 59 GLU 3.935 0.284 18 0 "[ . 1 . 2]" 1 60 LYS 3.212 0.234 20 0 "[ . 1 . 2]" 1 61 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 62 GLY 2.842 0.234 20 0 "[ . 1 . 2]" 1 63 ILE 6.029 0.284 18 0 "[ . 1 . 2]" 1 64 THR 1.048 0.152 14 0 "[ . 1 . 2]" 1 65 VAL 0.807 0.360 11 0 "[ . 1 . 2]" 1 66 VAL 3.761 0.515 13 1 "[ . 1 + . 2]" 1 67 ASP 13.100 0.579 11 3 "[ -. * 1+ . 2]" 1 68 TRP 2.398 0.515 13 1 "[ . 1 + . 2]" 1 69 PRO 8.131 0.579 11 3 "[ -. * 1+ . 2]" 1 70 PHE 2.234 0.873 8 1 "[ . + 1 . 2]" 1 71 ASP 1.953 0.260 14 0 "[ . 1 . 2]" 1 73 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 74 ALA 0.191 0.138 20 0 "[ . 1 . 2]" 1 78 GLY 1.555 0.289 1 0 "[ . 1 . 2]" 1 79 LYS 0.012 0.012 17 0 "[ . 1 . 2]" 1 80 VAL 4.433 0.620 10 1 "[ . + . 2]" 1 81 VAL 11.223 0.313 19 0 "[ . 1 . 2]" 1 82 GLU 3.899 0.620 10 1 "[ . + . 2]" 1 83 ASP 0.513 0.150 10 0 "[ . 1 . 2]" 1 84 TRP 6.286 0.282 19 0 "[ . 1 . 2]" 1 85 LEU 3.246 0.313 19 0 "[ . 1 . 2]" 1 86 SER 0.148 0.112 12 0 "[ . 1 . 2]" 1 87 LEU 2.497 0.206 12 0 "[ . 1 . 2]" 1 88 VAL 1.392 0.543 10 1 "[ . + . 2]" 1 89 LYS 3.050 0.401 13 0 "[ . 1 . 2]" 1 90 ALA 0.844 0.251 4 0 "[ . 1 . 2]" 1 91 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 92 PHE 7.090 0.635 10 1 "[ . + . 2]" 1 93 CYS 1.621 0.534 10 1 "[ . + . 2]" 1 94 GLU 2.662 0.165 10 0 "[ . 1 . 2]" 1 95 ALA 5.680 0.400 8 0 "[ . 1 . 2]" 1 96 PRO 2.139 0.230 6 0 "[ . 1 . 2]" 1 97 GLY 0.294 0.100 18 0 "[ . 1 . 2]" 1 98 SER 2.952 0.400 8 0 "[ . 1 . 2]" 1 99 CYS 0.193 0.099 15 0 "[ . 1 . 2]" 1 100 VAL 10.483 0.776 10 8 "[ - * * +** . **2]" 1 101 ALA 0.206 0.044 8 0 "[ . 1 . 2]" 1 102 VAL 3.683 0.292 3 0 "[ . 1 . 2]" 1 103 HIS 0.000 0.000 . 0 "[ . 1 . 2]" 1 104 CYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 105 VAL 0.103 0.081 11 0 "[ . 1 . 2]" 1 106 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 107 GLY 8.583 0.693 1 7 "[+ * . 1 **. **-2]" 1 108 LEU 7.923 0.266 15 0 "[ . 1 . 2]" 1 109 GLY 8.577 0.693 1 7 "[+ * . 1 **. **-2]" 1 110 ARG 0.296 0.081 11 0 "[ . 1 . 2]" 1 112 PRO 4.861 0.235 11 0 "[ . 1 . 2]" 1 113 VAL 3.003 0.169 20 0 "[ . 1 . 2]" 1 114 LEU 7.336 0.448 3 0 "[ . 1 . 2]" 1 115 VAL 15.401 0.527 4 3 "[ +. * . - 2]" 1 116 ALA 2.355 0.230 5 0 "[ . 1 . 2]" 1 117 LEU 2.134 0.193 7 0 "[ . 1 . 2]" 1 118 ALA 7.617 0.527 4 3 "[ +. * . - 2]" 1 119 LEU 1.755 0.099 18 0 "[ . 1 . 2]" 1 120 ILE 4.977 0.146 8 0 "[ . 1 . 2]" 1 121 GLU 2.451 0.327 4 0 "[ . 1 . 2]" 1 122 SER 0.126 0.048 8 0 "[ . 1 . 2]" 1 123 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 124 MET 1.113 0.087 16 0 "[ . 1 . 2]" 1 125 LYS 6.415 0.256 17 0 "[ . 1 . 2]" 1 126 TYR 2.562 0.159 13 0 "[ . 1 . 2]" 1 127 GLU 3.879 0.171 10 0 "[ . 1 . 2]" 1 128 ASP 3.987 0.200 13 0 "[ . 1 . 2]" 1 129 ALA 8.163 0.256 17 0 "[ . 1 . 2]" 1 130 ILE 6.240 0.200 13 0 "[ . 1 . 2]" 1 131 GLN 1.646 0.086 17 0 "[ . 1 . 2]" 1 132 PHE 0.799 0.092 12 0 "[ . 1 . 2]" 1 133 ILE 2.628 0.230 5 0 "[ . 1 . 2]" 1 134 ARG 0.318 0.098 13 0 "[ . 1 . 2]" 1 135 GLN 0.353 0.200 16 0 "[ . 1 . 2]" 1 136 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 139 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 140 ALA 5.307 0.266 15 0 "[ . 1 . 2]" 1 141 ILE 7.688 0.465 7 0 "[ . 1 . 2]" 1 142 ASN 3.631 0.465 7 0 "[ . 1 . 2]" 1 144 LYS 0.260 0.139 6 0 "[ . 1 . 2]" 1 145 GLN 3.401 0.312 15 0 "[ . 1 . 2]" 1 146 LEU 3.091 0.312 15 0 "[ . 1 . 2]" 1 147 THR 0.625 0.139 6 0 "[ . 1 . 2]" 1 148 TYR 4.768 0.458 19 0 "[ . 1 . 2]" 1 149 LEU 3.774 0.291 19 0 "[ . 1 . 2]" 1 150 GLU 2.789 0.159 13 0 "[ . 1 . 2]" 1 151 LYS 0.577 0.077 8 0 "[ . 1 . 2]" 1 152 TYR 3.575 0.630 14 5 "[ *.* 1 * +. - 2]" 1 153 ARG 0.123 0.123 13 0 "[ . 1 . 2]" 1 154 PRO 0.545 0.115 11 0 "[ . 1 . 2]" 1 155 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 156 GLN 0.000 0.000 . 0 "[ . 1 . 2]" 1 157 ARG 0.747 0.401 13 0 "[ . 1 . 2]" 1 158 LEU 3.500 0.327 4 0 "[ . 1 . 2]" 1 161 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 162 ASP 0.110 0.034 16 0 "[ . 1 . 2]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 7 PRO HA 1 8 ALA MB . . 5.010 3.969 3.915 4.047 . 0 0 "[ . 1 . 2]" 1 2 1 8 ALA HA 1 9 PRO QD . . 3.540 1.884 1.875 1.902 . 0 0 "[ . 1 . 2]" 1 3 1 8 ALA MB 1 9 PRO QD . . 3.770 3.312 3.278 3.360 . 0 0 "[ . 1 . 2]" 1 4 1 8 ALA MB 1 40 TYR QE . . 5.650 4.348 4.267 4.464 . 0 0 "[ . 1 . 2]" 1 5 1 9 PRO HA 1 10 VAL HB . . 5.130 4.495 4.458 4.534 . 0 0 "[ . 1 . 2]" 1 6 1 9 PRO HA 1 20 LEU QD . . 5.070 4.034 4.000 4.071 . 0 0 "[ . 1 . 2]" 1 7 1 9 PRO HA 1 21 ILE H . . 6.000 6.023 5.938 6.094 0.094 8 0 "[ . 1 . 2]" 1 8 1 9 PRO QB 1 10 VAL H . . 3.890 1.930 1.906 1.988 . 0 0 "[ . 1 . 2]" 1 9 1 9 PRO QB 1 10 VAL QG . . 4.080 4.076 4.048 4.091 0.011 19 0 "[ . 1 . 2]" 1 10 1 9 PRO QB 1 20 LEU QD . . 3.750 1.875 1.853 1.918 . 0 0 "[ . 1 . 2]" 1 11 1 9 PRO QB 1 20 LEU HG . . 4.350 3.702 3.646 3.753 . 0 0 "[ . 1 . 2]" 1 12 1 9 PRO HB2 1 10 VAL H . . 4.540 1.947 1.922 2.008 . 0 0 "[ . 1 . 2]" 1 13 1 9 PRO HB2 1 20 LEU HG . . 5.100 3.834 3.771 3.885 . 0 0 "[ . 1 . 2]" 1 14 1 9 PRO HB3 1 10 VAL H . . 4.540 3.162 3.153 3.184 . 0 0 "[ . 1 . 2]" 1 15 1 9 PRO HB3 1 20 LEU HG . . 5.100 4.889 4.836 4.961 . 0 0 "[ . 1 . 2]" 1 16 1 9 PRO QD 1 20 LEU QD . . 5.230 3.843 3.768 3.910 . 0 0 "[ . 1 . 2]" 1 17 1 9 PRO QD 1 40 TYR QE . . 4.860 2.179 2.010 2.303 . 0 0 "[ . 1 . 2]" 1 18 1 9 PRO QG 1 10 VAL QG . . 5.270 4.886 4.853 4.919 . 0 0 "[ . 1 . 2]" 1 19 1 9 PRO QG 1 20 LEU QD . . 4.480 2.090 1.992 2.177 . 0 0 "[ . 1 . 2]" 1 20 1 9 PRO QG 1 20 LEU HG . . 4.620 3.501 3.418 3.594 . 0 0 "[ . 1 . 2]" 1 21 1 9 PRO QG 1 36 ASP QB . . 5.620 3.207 2.677 3.755 . 0 0 "[ . 1 . 2]" 1 22 1 9 PRO QG 1 40 TYR H . . 5.810 5.104 5.064 5.156 . 0 0 "[ . 1 . 2]" 1 23 1 9 PRO QG 1 40 TYR HB3 . . 4.700 4.522 4.378 4.624 . 0 0 "[ . 1 . 2]" 1 24 1 9 PRO QG 1 40 TYR QD . . 4.550 3.160 3.121 3.213 . 0 0 "[ . 1 . 2]" 1 25 1 9 PRO QG 1 40 TYR QE . . 4.500 2.772 2.698 2.820 . 0 0 "[ . 1 . 2]" 1 26 1 9 PRO HG2 1 20 LEU HG . . 5.260 3.860 3.760 3.967 . 0 0 "[ . 1 . 2]" 1 27 1 9 PRO HG2 1 40 TYR QE . . 5.280 2.912 2.839 2.949 . 0 0 "[ . 1 . 2]" 1 28 1 9 PRO HG3 1 20 LEU HG . . 5.260 4.010 3.917 4.111 . 0 0 "[ . 1 . 2]" 1 29 1 9 PRO HG3 1 40 TYR QE . . 5.280 3.487 3.371 3.691 . 0 0 "[ . 1 . 2]" 1 30 1 10 VAL H 1 10 VAL HB . . 4.000 2.590 2.564 2.612 . 0 0 "[ . 1 . 2]" 1 31 1 10 VAL H 1 10 VAL QG . . 3.850 3.007 2.958 3.043 . 0 0 "[ . 1 . 2]" 1 32 1 10 VAL H 1 11 GLU H . . 5.170 4.181 4.140 4.221 . 0 0 "[ . 1 . 2]" 1 33 1 10 VAL H 1 11 GLU HA . . 5.440 4.728 4.708 4.763 . 0 0 "[ . 1 . 2]" 1 34 1 10 VAL H 1 20 LEU HA . . 5.690 4.218 4.167 4.278 . 0 0 "[ . 1 . 2]" 1 35 1 10 VAL H 1 20 LEU QD . . 4.960 2.438 2.405 2.489 . 0 0 "[ . 1 . 2]" 1 36 1 10 VAL H 1 20 LEU HG . . 4.990 5.104 5.071 5.132 0.142 9 0 "[ . 1 . 2]" 1 37 1 10 VAL H 1 21 ILE H . . 4.670 3.471 3.375 3.566 . 0 0 "[ . 1 . 2]" 1 38 1 10 VAL H 1 21 ILE MD . . 4.870 4.562 4.493 4.642 . 0 0 "[ . 1 . 2]" 1 39 1 10 VAL H 1 21 ILE QG . . 5.100 3.248 3.134 3.362 . 0 0 "[ . 1 . 2]" 1 40 1 10 VAL H 1 21 ILE MG . . 5.680 5.447 5.373 5.502 . 0 0 "[ . 1 . 2]" 1 41 1 10 VAL HA 1 11 GLU H . . 3.510 2.143 2.141 2.146 . 0 0 "[ . 1 . 2]" 1 42 1 10 VAL HA 1 20 LEU QD . . 5.300 3.386 3.357 3.405 . 0 0 "[ . 1 . 2]" 1 43 1 10 VAL HA 1 21 ILE QG . . 5.000 4.036 3.990 4.113 . 0 0 "[ . 1 . 2]" 1 44 1 10 VAL HB 1 11 GLU H . . 4.890 4.425 4.399 4.455 . 0 0 "[ . 1 . 2]" 1 45 1 10 VAL HB 1 11 GLU HA . . 6.000 5.163 5.139 5.200 . 0 0 "[ . 1 . 2]" 1 46 1 10 VAL HB 1 20 LEU HA . . 6.000 4.963 4.895 5.047 . 0 0 "[ . 1 . 2]" 1 47 1 10 VAL HB 1 21 ILE H . . 4.920 3.368 3.277 3.454 . 0 0 "[ . 1 . 2]" 1 48 1 10 VAL HB 1 21 ILE HA . . 6.000 4.925 4.844 4.989 . 0 0 "[ . 1 . 2]" 1 49 1 10 VAL HB 1 21 ILE MD . . 5.280 3.468 3.407 3.551 . 0 0 "[ . 1 . 2]" 1 50 1 10 VAL HB 1 21 ILE QG . . 4.430 1.867 1.837 1.956 . 0 0 "[ . 1 . 2]" 1 51 1 10 VAL QG 1 11 GLU H . . 4.550 2.825 2.755 2.900 . 0 0 "[ . 1 . 2]" 1 52 1 10 VAL QG 1 20 LEU QD . . 4.310 3.482 3.469 3.499 . 0 0 "[ . 1 . 2]" 1 53 1 10 VAL QG 1 21 ILE H . . 4.960 3.119 3.070 3.157 . 0 0 "[ . 1 . 2]" 1 54 1 11 GLU H 1 11 GLU HB2 . . 4.050 3.137 3.063 3.279 . 0 0 "[ . 1 . 2]" 1 55 1 11 GLU H 1 11 GLU QB . . 3.520 2.224 2.164 2.262 . 0 0 "[ . 1 . 2]" 1 56 1 11 GLU H 1 11 GLU HB3 . . 4.050 2.277 2.196 2.326 . 0 0 "[ . 1 . 2]" 1 57 1 11 GLU H 1 12 VAL H . . 4.890 4.446 4.406 4.531 . 0 0 "[ . 1 . 2]" 1 58 1 11 GLU H 1 20 LEU QD . . 4.930 2.799 2.734 2.840 . 0 0 "[ . 1 . 2]" 1 59 1 11 GLU HA 1 12 VAL H . . 3.500 2.147 2.139 2.182 . 0 0 "[ . 1 . 2]" 1 60 1 11 GLU HA 1 13 SER H . . 5.750 5.576 5.528 5.642 . 0 0 "[ . 1 . 2]" 1 61 1 11 GLU HA 1 20 LEU QD . . 4.020 1.812 1.768 1.855 . 0 0 "[ . 1 . 2]" 1 62 1 11 GLU HA 1 20 LEU HG . . 5.170 4.369 4.313 4.424 . 0 0 "[ . 1 . 2]" 1 63 1 11 GLU QB 1 12 VAL H . . 4.210 3.724 3.571 3.794 . 0 0 "[ . 1 . 2]" 1 64 1 11 GLU QB 1 20 LEU QD . . 4.440 1.735 1.698 1.806 . 0 0 "[ . 1 . 2]" 1 65 1 11 GLU QB 1 40 TYR QE . . 4.650 2.763 2.454 3.131 . 0 0 "[ . 1 . 2]" 1 66 1 11 GLU HB2 1 40 TYR QE . . 5.360 3.211 2.847 3.718 . 0 0 "[ . 1 . 2]" 1 67 1 11 GLU HB3 1 40 TYR QE . . 5.360 3.026 2.574 3.394 . 0 0 "[ . 1 . 2]" 1 68 1 11 GLU QG 1 12 VAL H . . 3.890 2.806 2.478 3.003 . 0 0 "[ . 1 . 2]" 1 69 1 11 GLU QG 1 13 SER H . . 5.540 3.594 3.399 3.910 . 0 0 "[ . 1 . 2]" 1 70 1 11 GLU QG 1 13 SER HB2 . . 5.080 4.421 4.129 4.514 . 0 0 "[ . 1 . 2]" 1 71 1 11 GLU QG 1 13 SER HB3 . . 4.760 3.604 3.318 4.094 . 0 0 "[ . 1 . 2]" 1 72 1 11 GLU QG 1 20 LEU QD . . 5.010 2.512 2.293 2.855 . 0 0 "[ . 1 . 2]" 1 73 1 11 GLU HG2 1 40 TYR QD . . 6.000 4.993 4.672 5.300 . 0 0 "[ . 1 . 2]" 1 74 1 11 GLU HG3 1 40 TYR QD . . 6.000 4.214 3.482 4.756 . 0 0 "[ . 1 . 2]" 1 75 1 12 VAL H 1 12 VAL MG1 . . 4.300 1.887 1.864 1.958 . 0 0 "[ . 1 . 2]" 1 76 1 12 VAL H 1 12 VAL QG . . 3.620 1.882 1.859 1.952 . 0 0 "[ . 1 . 2]" 1 77 1 12 VAL H 1 12 VAL MG2 . . 4.300 3.794 3.758 3.878 . 0 0 "[ . 1 . 2]" 1 78 1 12 VAL H 1 13 SER H . . 5.690 4.152 4.055 4.193 . 0 0 "[ . 1 . 2]" 1 79 1 12 VAL H 1 18 ARG HA . . 5.120 4.484 4.271 4.799 . 0 0 "[ . 1 . 2]" 1 80 1 12 VAL H 1 18 ARG HG3 . . 5.160 4.061 3.422 4.446 . 0 0 "[ . 1 . 2]" 1 81 1 12 VAL H 1 19 PHE QB . . 4.760 3.691 3.609 3.810 . 0 0 "[ . 1 . 2]" 1 82 1 12 VAL H 1 20 LEU QD . . 4.700 3.081 2.952 3.171 . 0 0 "[ . 1 . 2]" 1 83 1 12 VAL H 1 21 ILE MD . . 4.600 3.041 2.887 3.276 . 0 0 "[ . 1 . 2]" 1 84 1 12 VAL HA 1 21 ILE MD . . 4.720 4.023 3.905 4.181 . 0 0 "[ . 1 . 2]" 1 85 1 12 VAL HB 1 13 SER H . . 6.000 4.344 4.316 4.406 . 0 0 "[ . 1 . 2]" 1 86 1 12 VAL HB 1 19 PHE H . . 4.870 4.889 4.813 5.001 0.131 6 0 "[ . 1 . 2]" 1 87 1 12 VAL HB 1 19 PHE QB . . 4.840 4.508 4.439 4.534 . 0 0 "[ . 1 . 2]" 1 88 1 12 VAL QG 1 13 SER H . . 4.630 3.020 2.980 3.052 . 0 0 "[ . 1 . 2]" 1 89 1 12 VAL QG 1 14 TYR H . . 4.960 3.854 3.518 3.965 . 0 0 "[ . 1 . 2]" 1 90 1 12 VAL QG 1 18 ARG HG3 . . 4.390 4.136 3.825 4.282 . 0 0 "[ . 1 . 2]" 1 91 1 12 VAL QG 1 19 PHE H . . 4.320 2.200 2.094 2.581 . 0 0 "[ . 1 . 2]" 1 92 1 12 VAL QG 1 19 PHE QB . . 3.880 1.878 1.851 1.927 . 0 0 "[ . 1 . 2]" 1 93 1 12 VAL QG 1 20 LEU HA . . 5.040 3.451 3.299 3.743 . 0 0 "[ . 1 . 2]" 1 94 1 12 VAL QG 1 21 ILE H . . 4.020 3.476 3.337 3.772 . 0 0 "[ . 1 . 2]" 1 95 1 12 VAL QG 1 21 ILE MD . . 3.360 1.901 1.819 1.991 . 0 0 "[ . 1 . 2]" 1 96 1 12 VAL QG 1 21 ILE QG . . 4.470 3.573 3.466 3.716 . 0 0 "[ . 1 . 2]" 1 97 1 12 VAL MG1 1 19 PHE QB . . 4.530 1.883 1.855 1.932 . 0 0 "[ . 1 . 2]" 1 98 1 12 VAL MG2 1 19 PHE QB . . 4.530 3.778 3.690 3.909 . 0 0 "[ . 1 . 2]" 1 99 1 13 SER H 1 14 TYR H . . 5.430 4.434 4.307 4.471 . 0 0 "[ . 1 . 2]" 1 100 1 13 SER H 1 19 PHE H . . 4.990 4.864 4.527 5.012 0.022 11 0 "[ . 1 . 2]" 1 101 1 13 SER HA 1 14 TYR H . . 3.150 2.142 2.139 2.166 . 0 0 "[ . 1 . 2]" 1 102 1 13 SER HA 1 18 ARG HA . . 4.160 2.067 1.897 2.175 . 0 0 "[ . 1 . 2]" 1 103 1 13 SER HA 1 18 ARG QB . . 5.150 3.102 2.684 3.214 . 0 0 "[ . 1 . 2]" 1 104 1 13 SER HA 1 18 ARG HG2 . . 4.860 3.794 3.570 4.175 . 0 0 "[ . 1 . 2]" 1 105 1 13 SER HA 1 19 PHE H . . 4.160 3.603 3.175 3.714 . 0 0 "[ . 1 . 2]" 1 106 1 13 SER HB2 1 14 TYR H . . 4.000 3.634 3.465 4.029 0.029 6 0 "[ . 1 . 2]" 1 107 1 13 SER HB2 1 18 ARG HG2 . . 5.480 4.337 4.053 4.553 . 0 0 "[ . 1 . 2]" 1 108 1 13 SER HB2 1 18 ARG HG3 . . 5.610 2.785 2.507 3.108 . 0 0 "[ . 1 . 2]" 1 109 1 13 SER HB2 1 19 PHE H . . 5.730 5.606 5.227 5.739 0.009 7 0 "[ . 1 . 2]" 1 110 1 13 SER HB3 1 14 TYR H . . 4.680 4.510 4.447 4.631 . 0 0 "[ . 1 . 2]" 1 111 1 13 SER HB3 1 18 ARG HG2 . . 5.490 4.480 4.097 5.069 . 0 0 "[ . 1 . 2]" 1 112 1 13 SER HB3 1 18 ARG HG3 . . 5.230 2.985 2.651 3.484 . 0 0 "[ . 1 . 2]" 1 113 1 14 TYR H 1 14 TYR HB2 . . 4.040 2.333 2.145 2.405 . 0 0 "[ . 1 . 2]" 1 114 1 14 TYR H 1 14 TYR HB3 . . 4.040 3.041 2.983 3.177 . 0 0 "[ . 1 . 2]" 1 115 1 14 TYR H 1 14 TYR HD2 . . 5.350 5.216 4.586 5.312 . 0 0 "[ . 1 . 2]" 1 116 1 14 TYR H 1 17 MET H . . 4.000 3.060 2.927 3.930 . 0 0 "[ . 1 . 2]" 1 117 1 14 TYR H 1 17 MET QB . . 4.490 3.645 3.301 5.034 0.544 6 1 "[ .+ 1 . 2]" 1 118 1 14 TYR H 1 18 ARG H . . 5.000 4.311 4.195 4.481 . 0 0 "[ . 1 . 2]" 1 119 1 14 TYR H 1 18 ARG HA . . 3.900 2.861 2.064 3.000 . 0 0 "[ . 1 . 2]" 1 120 1 14 TYR H 1 18 ARG QB . . 4.890 3.976 3.832 4.078 . 0 0 "[ . 1 . 2]" 1 121 1 14 TYR H 1 18 ARG HG3 . . 4.690 4.085 3.736 4.471 . 0 0 "[ . 1 . 2]" 1 122 1 14 TYR H 1 19 PHE H . . 4.600 4.402 3.380 4.608 0.008 16 0 "[ . 1 . 2]" 1 123 1 14 TYR HA 1 14 TYR HD2 . . 4.500 4.217 4.072 4.370 . 0 0 "[ . 1 . 2]" 1 124 1 14 TYR HA 1 14 TYR HE2 . . 5.740 5.610 5.498 5.733 . 0 0 "[ . 1 . 2]" 1 125 1 14 TYR QB 1 14 TYR HE2 . . 4.700 4.326 4.309 4.340 . 0 0 "[ . 1 . 2]" 1 126 1 14 TYR QB 1 16 HIS H . . 4.350 2.726 2.059 2.880 . 0 0 "[ . 1 . 2]" 1 127 1 14 TYR QB 1 17 MET H . . 4.030 2.723 2.150 2.985 . 0 0 "[ . 1 . 2]" 1 128 1 14 TYR QB 1 17 MET QB . . 4.890 2.683 2.316 3.750 . 0 0 "[ . 1 . 2]" 1 129 1 14 TYR HB2 1 15 LYS HG2 . . 4.710 4.455 4.279 4.990 0.280 6 0 "[ . 1 . 2]" 1 130 1 14 TYR HB3 1 15 LYS HG2 . . 4.710 2.756 2.544 3.492 . 0 0 "[ . 1 . 2]" 1 131 1 15 LYS H 1 15 LYS HG2 . . 5.540 2.048 1.929 2.120 . 0 0 "[ . 1 . 2]" 1 132 1 15 LYS HA 1 15 LYS QE . . 5.670 4.522 4.035 5.103 . 0 0 "[ . 1 . 2]" 1 133 1 15 LYS QB 1 15 LYS QE . . 3.700 2.314 2.071 2.828 . 0 0 "[ . 1 . 2]" 1 134 1 15 LYS QE 1 122 SER H . . 6.000 5.756 5.157 6.048 0.048 8 0 "[ . 1 . 2]" 1 135 1 15 LYS HG3 1 16 HIS HD2 . . 5.540 4.737 3.498 5.654 0.114 8 0 "[ . 1 . 2]" 1 136 1 16 HIS H 1 16 HIS HD2 . . 5.180 4.889 4.657 5.304 0.124 8 0 "[ . 1 . 2]" 1 137 1 16 HIS QB 1 17 MET H . . 4.030 3.759 2.731 3.895 . 0 0 "[ . 1 . 2]" 1 138 1 16 HIS HB2 1 17 MET H . . 4.600 4.310 3.852 4.598 . 0 0 "[ . 1 . 2]" 1 139 1 16 HIS HB3 1 17 MET H . . 4.600 4.180 2.794 4.392 . 0 0 "[ . 1 . 2]" 1 140 1 17 MET H 1 17 MET HB2 . . 4.110 3.254 2.926 4.009 . 0 0 "[ . 1 . 2]" 1 141 1 17 MET H 1 17 MET QB . . 3.430 2.943 2.745 3.192 . 0 0 "[ . 1 . 2]" 1 142 1 17 MET H 1 17 MET HB3 . . 4.110 3.706 2.911 3.967 . 0 0 "[ . 1 . 2]" 1 143 1 17 MET H 1 17 MET QG . . 3.510 2.848 2.408 4.154 0.644 6 1 "[ .+ 1 . 2]" 1 144 1 17 MET H 1 18 ARG H . . 4.560 4.393 4.327 4.414 . 0 0 "[ . 1 . 2]" 1 145 1 17 MET H 1 18 ARG HA . . 5.120 4.829 4.673 4.887 . 0 0 "[ . 1 . 2]" 1 146 1 17 MET HA 1 18 ARG H . . 3.410 2.522 2.257 2.599 . 0 0 "[ . 1 . 2]" 1 147 1 17 MET QB 1 18 ARG H . . 3.660 2.390 2.152 3.518 . 0 0 "[ . 1 . 2]" 1 148 1 17 MET QB 1 19 PHE H . . 5.810 4.870 4.329 5.835 0.025 6 0 "[ . 1 . 2]" 1 149 1 17 MET HB2 1 18 ARG H . . 4.170 2.966 2.595 4.001 . 0 0 "[ . 1 . 2]" 1 150 1 17 MET HB3 1 18 ARG H . . 4.170 2.740 2.208 3.946 . 0 0 "[ . 1 . 2]" 1 151 1 17 MET QG 1 92 PHE HB2 . . 5.920 5.036 3.351 6.054 0.134 16 0 "[ . 1 . 2]" 1 152 1 18 ARG H 1 18 ARG QD . . 5.810 5.264 4.434 5.435 . 0 0 "[ . 1 . 2]" 1 153 1 18 ARG H 1 18 ARG HG2 . . 5.130 4.839 4.515 4.898 . 0 0 "[ . 1 . 2]" 1 154 1 18 ARG H 1 18 ARG HG3 . . 4.870 4.682 4.476 4.741 . 0 0 "[ . 1 . 2]" 1 155 1 18 ARG H 1 19 PHE H . . 4.670 3.957 3.739 4.580 . 0 0 "[ . 1 . 2]" 1 156 1 18 ARG H 1 99 CYS HA . . 4.690 3.949 3.655 4.082 . 0 0 "[ . 1 . 2]" 1 157 1 18 ARG H 1 100 VAL H . . 5.450 4.532 4.410 4.949 . 0 0 "[ . 1 . 2]" 1 158 1 18 ARG HA 1 18 ARG HD2 . . 4.760 4.521 4.059 4.720 . 0 0 "[ . 1 . 2]" 1 159 1 18 ARG HA 1 18 ARG QD . . 4.180 4.013 3.706 4.127 . 0 0 "[ . 1 . 2]" 1 160 1 18 ARG HA 1 18 ARG HD3 . . 4.760 4.523 3.959 4.842 0.082 6 0 "[ . 1 . 2]" 1 161 1 18 ARG HA 1 19 PHE H . . 3.450 2.150 2.140 2.224 . 0 0 "[ . 1 . 2]" 1 162 1 18 ARG QB 1 19 PHE H . . 4.260 3.791 3.559 3.926 . 0 0 "[ . 1 . 2]" 1 163 1 18 ARG QB 1 99 CYS HA . . 4.570 2.389 2.248 2.732 . 0 0 "[ . 1 . 2]" 1 164 1 18 ARG QB 1 99 CYS QB . . 4.780 3.410 3.169 3.766 . 0 0 "[ . 1 . 2]" 1 165 1 18 ARG QB 1 100 VAL H . . 4.730 3.867 3.750 4.162 . 0 0 "[ . 1 . 2]" 1 166 1 18 ARG QB 1 100 VAL QG . . 3.930 3.878 3.791 4.229 0.299 6 0 "[ . 1 . 2]" 1 167 1 18 ARG QD 1 19 PHE H . . 5.750 5.041 4.470 5.255 . 0 0 "[ . 1 . 2]" 1 168 1 18 ARG HG3 1 19 PHE H . . 4.470 3.377 2.602 3.637 . 0 0 "[ . 1 . 2]" 1 169 1 19 PHE H 1 19 PHE HD2 . . 5.550 5.328 5.213 5.432 . 0 0 "[ . 1 . 2]" 1 170 1 19 PHE H 1 20 LEU H . . 4.670 4.486 4.470 4.493 . 0 0 "[ . 1 . 2]" 1 171 1 19 PHE H 1 20 LEU HA . . 5.110 4.989 4.904 5.070 . 0 0 "[ . 1 . 2]" 1 172 1 19 PHE H 1 20 LEU HB2 . . 6.000 5.858 5.757 5.936 . 0 0 "[ . 1 . 2]" 1 173 1 19 PHE H 1 21 ILE MD . . 4.910 4.658 4.601 4.741 . 0 0 "[ . 1 . 2]" 1 174 1 19 PHE HA 1 19 PHE HE2 . . 5.500 5.458 5.316 5.609 0.109 11 0 "[ . 1 . 2]" 1 175 1 19 PHE HA 1 20 LEU HB2 . . 4.960 3.952 3.924 3.968 . 0 0 "[ . 1 . 2]" 1 176 1 19 PHE HA 1 21 ILE MD . . 5.280 5.111 5.022 5.178 . 0 0 "[ . 1 . 2]" 1 177 1 19 PHE HA 1 100 VAL H . . 4.030 1.940 1.798 2.089 . 0 0 "[ . 1 . 2]" 1 178 1 19 PHE HA 1 100 VAL HB . . 5.220 3.535 3.100 4.057 . 0 0 "[ . 1 . 2]" 1 179 1 19 PHE HA 1 100 VAL QG . . 4.890 1.812 1.618 2.064 . 0 0 "[ . 1 . 2]" 1 180 1 19 PHE HA 1 101 ALA HA . . 5.210 4.618 4.549 4.680 . 0 0 "[ . 1 . 2]" 1 181 1 19 PHE QB 1 19 PHE HE2 . . 4.780 4.311 4.300 4.324 . 0 0 "[ . 1 . 2]" 1 182 1 19 PHE QB 1 20 LEU H . . 4.390 2.213 2.073 2.336 . 0 0 "[ . 1 . 2]" 1 183 1 19 PHE QB 1 21 ILE MD . . 4.330 3.183 3.113 3.257 . 0 0 "[ . 1 . 2]" 1 184 1 19 PHE QB 1 100 VAL H . . 4.940 4.110 3.989 4.235 . 0 0 "[ . 1 . 2]" 1 185 1 19 PHE QB 1 100 VAL HB . . 4.240 4.224 3.634 5.016 0.776 10 8 "[ - * * +** . **2]" 1 186 1 19 PHE QB 1 102 VAL H . . 5.040 4.246 4.064 4.458 . 0 0 "[ . 1 . 2]" 1 187 1 19 PHE HD2 1 20 LEU H . . 5.060 3.888 3.710 4.053 . 0 0 "[ . 1 . 2]" 1 188 1 19 PHE HD2 1 100 VAL HB . . 4.850 3.716 2.747 5.002 0.152 10 0 "[ . 1 . 2]" 1 189 1 19 PHE HE2 1 20 LEU H . . 6.000 6.104 5.932 6.262 0.262 3 0 "[ . 1 . 2]" 1 190 1 20 LEU H 1 20 LEU QD . . 5.110 3.432 3.399 3.494 . 0 0 "[ . 1 . 2]" 1 191 1 20 LEU H 1 20 LEU HG . . 5.100 4.923 4.887 4.981 . 0 0 "[ . 1 . 2]" 1 192 1 20 LEU H 1 100 VAL H . . 4.360 3.668 3.458 3.900 . 0 0 "[ . 1 . 2]" 1 193 1 20 LEU H 1 101 ALA H . . 5.240 4.437 4.305 4.561 . 0 0 "[ . 1 . 2]" 1 194 1 20 LEU H 1 101 ALA HA . . 4.110 2.732 2.639 2.826 . 0 0 "[ . 1 . 2]" 1 195 1 20 LEU H 1 101 ALA MB . . 4.490 4.298 4.214 4.395 . 0 0 "[ . 1 . 2]" 1 196 1 20 LEU H 1 102 VAL H . . 4.500 3.111 2.954 3.258 . 0 0 "[ . 1 . 2]" 1 197 1 20 LEU HA 1 20 LEU QD . . 4.260 1.922 1.878 1.941 . 0 0 "[ . 1 . 2]" 1 198 1 20 LEU HA 1 21 ILE HB . . 5.850 5.623 5.592 5.661 . 0 0 "[ . 1 . 2]" 1 199 1 20 LEU HA 1 21 ILE MD . . 5.030 3.106 3.079 3.126 . 0 0 "[ . 1 . 2]" 1 200 1 20 LEU HA 1 21 ILE QG . . 5.470 3.677 3.615 3.771 . 0 0 "[ . 1 . 2]" 1 201 1 20 LEU HB2 1 21 ILE H . . 5.550 4.602 4.592 4.611 . 0 0 "[ . 1 . 2]" 1 202 1 20 LEU HB2 1 100 VAL H . . 4.250 3.951 3.859 4.116 . 0 0 "[ . 1 . 2]" 1 203 1 20 LEU HB2 1 101 ALA H . . 4.860 4.071 3.923 4.269 . 0 0 "[ . 1 . 2]" 1 204 1 20 LEU HB2 1 101 ALA HA . . 4.590 2.368 2.258 2.489 . 0 0 "[ . 1 . 2]" 1 205 1 20 LEU HB2 1 101 ALA MB . . 4.200 3.193 3.114 3.293 . 0 0 "[ . 1 . 2]" 1 206 1 20 LEU HB2 1 102 VAL H . . 5.020 4.038 3.851 4.211 . 0 0 "[ . 1 . 2]" 1 207 1 20 LEU HB3 1 21 ILE H . . 4.630 3.908 3.871 3.935 . 0 0 "[ . 1 . 2]" 1 208 1 20 LEU HB3 1 42 ALA MB . . 4.000 4.009 3.872 4.107 0.107 10 0 "[ . 1 . 2]" 1 209 1 20 LEU HB3 1 101 ALA HA . . 4.560 2.492 2.416 2.552 . 0 0 "[ . 1 . 2]" 1 210 1 20 LEU HB3 1 102 VAL H . . 4.660 3.634 3.504 3.758 . 0 0 "[ . 1 . 2]" 1 211 1 20 LEU QD 1 21 ILE H . . 4.460 2.710 2.671 2.779 . 0 0 "[ . 1 . 2]" 1 212 1 20 LEU QD 1 37 LEU HA . . 5.920 4.138 4.080 4.229 . 0 0 "[ . 1 . 2]" 1 213 1 20 LEU QD 1 40 TYR HB2 . . 5.590 3.402 3.248 3.524 . 0 0 "[ . 1 . 2]" 1 214 1 20 LEU QD 1 40 TYR HB3 . . 4.840 2.477 2.256 2.657 . 0 0 "[ . 1 . 2]" 1 215 1 20 LEU QD 1 40 TYR QD . . 4.430 2.085 1.951 2.247 . 0 0 "[ . 1 . 2]" 1 216 1 20 LEU QD 1 40 TYR QE . . 4.720 2.968 2.783 3.101 . 0 0 "[ . 1 . 2]" 1 217 1 20 LEU QD 1 42 ALA MB . . 5.230 2.696 2.648 2.744 . 0 0 "[ . 1 . 2]" 1 218 1 20 LEU QD 1 99 CYS QB . . 5.730 2.045 1.886 2.258 . 0 0 "[ . 1 . 2]" 1 219 1 20 LEU QD 1 101 ALA HA . . 5.270 3.878 3.818 3.936 . 0 0 "[ . 1 . 2]" 1 220 1 20 LEU QD 1 101 ALA MB . . 5.100 3.929 3.848 3.997 . 0 0 "[ . 1 . 2]" 1 221 1 20 LEU QD 1 102 VAL H . . 5.660 4.689 4.596 4.753 . 0 0 "[ . 1 . 2]" 1 222 1 20 LEU HG 1 21 ILE H . . 5.230 5.270 5.239 5.311 0.081 8 0 "[ . 1 . 2]" 1 223 1 20 LEU HG 1 37 LEU HA . . 3.960 3.588 3.508 3.722 . 0 0 "[ . 1 . 2]" 1 224 1 20 LEU HG 1 37 LEU HB2 . . 4.840 4.914 4.853 4.981 0.141 14 0 "[ . 1 . 2]" 1 225 1 20 LEU HG 1 40 TYR H . . 5.580 5.371 5.246 5.473 . 0 0 "[ . 1 . 2]" 1 226 1 20 LEU HG 1 40 TYR HA . . 5.910 5.594 5.443 5.690 . 0 0 "[ . 1 . 2]" 1 227 1 20 LEU HG 1 40 TYR HB2 . . 4.560 3.260 3.131 3.363 . 0 0 "[ . 1 . 2]" 1 228 1 20 LEU HG 1 40 TYR HB3 . . 4.620 3.106 2.972 3.194 . 0 0 "[ . 1 . 2]" 1 229 1 20 LEU HG 1 40 TYR QD . . 4.190 3.439 3.203 3.574 . 0 0 "[ . 1 . 2]" 1 230 1 20 LEU HG 1 40 TYR QE . . 5.030 4.760 4.639 4.923 . 0 0 "[ . 1 . 2]" 1 231 1 20 LEU HG 1 42 ALA MB . . 4.410 3.330 3.175 3.423 . 0 0 "[ . 1 . 2]" 1 232 1 20 LEU HG 1 99 CYS QB . . 5.100 4.060 3.863 4.253 . 0 0 "[ . 1 . 2]" 1 233 1 20 LEU HG 1 101 ALA HA . . 5.070 4.360 4.255 4.463 . 0 0 "[ . 1 . 2]" 1 234 1 20 LEU HG 1 101 ALA MB . . 4.080 4.010 3.882 4.095 0.015 11 0 "[ . 1 . 2]" 1 235 1 20 LEU HG 1 102 VAL H . . 6.000 5.931 5.781 6.075 0.075 17 0 "[ . 1 . 2]" 1 236 1 21 ILE H 1 21 ILE MD . . 4.300 1.989 1.932 2.071 . 0 0 "[ . 1 . 2]" 1 237 1 21 ILE H 1 21 ILE QG . . 4.530 1.790 1.729 1.870 . 0 0 "[ . 1 . 2]" 1 238 1 21 ILE H 1 21 ILE MG . . 4.680 3.124 3.062 3.225 . 0 0 "[ . 1 . 2]" 1 239 1 21 ILE H 1 101 ALA HA . . 5.290 5.189 5.053 5.283 . 0 0 "[ . 1 . 2]" 1 240 1 21 ILE HA 1 21 ILE MD . . 4.500 3.243 3.170 3.330 . 0 0 "[ . 1 . 2]" 1 241 1 21 ILE HA 1 102 VAL H . . 4.690 3.334 3.173 3.420 . 0 0 "[ . 1 . 2]" 1 242 1 21 ILE HA 1 102 VAL QG . . 4.660 2.713 2.394 3.542 . 0 0 "[ . 1 . 2]" 1 243 1 21 ILE HB 1 21 ILE MD . . 3.720 3.183 3.177 3.190 . 0 0 "[ . 1 . 2]" 1 244 1 21 ILE MD 1 21 ILE MG . . 3.310 1.869 1.838 1.897 . 0 0 "[ . 1 . 2]" 1 245 1 21 ILE MG 1 107 GLY HA2 . . 6.000 5.325 4.493 5.860 . 0 0 "[ . 1 . 2]" 1 246 1 21 ILE MG 1 107 GLY QA . . 5.130 4.994 4.309 5.337 0.207 8 0 "[ . 1 . 2]" 1 247 1 21 ILE MG 1 107 GLY HA3 . . 6.000 6.059 5.519 6.269 0.269 20 0 "[ . 1 . 2]" 1 248 1 26 THR H 1 26 THR MG . . 4.500 3.343 2.115 3.997 . 0 0 "[ . 1 . 2]" 1 249 1 28 ALA HA 1 29 THR MG . . 4.800 4.651 4.527 4.778 . 0 0 "[ . 1 . 2]" 1 250 1 28 ALA MB 1 29 THR H . . 4.240 2.956 2.229 3.266 . 0 0 "[ . 1 . 2]" 1 251 1 28 ALA MB 1 29 THR MG . . 4.050 3.125 2.580 3.489 . 0 0 "[ . 1 . 2]" 1 252 1 29 THR H 1 29 THR MG . . 3.920 2.028 1.894 2.268 . 0 0 "[ . 1 . 2]" 1 253 1 29 THR H 1 30 LEU H . . 4.210 1.894 1.656 2.662 . 0 0 "[ . 1 . 2]" 1 254 1 29 THR H 1 30 LEU HA . . 5.270 4.109 3.903 4.265 . 0 0 "[ . 1 . 2]" 1 255 1 29 THR H 1 30 LEU QD . . 5.920 4.699 3.734 5.344 . 0 0 "[ . 1 . 2]" 1 256 1 29 THR H 1 33 PHE QD . . 6.000 5.795 3.224 6.159 0.159 1 0 "[ . 1 . 2]" 1 257 1 29 THR HA 1 29 THR MG . . 3.630 3.169 3.126 3.200 . 0 0 "[ . 1 . 2]" 1 258 1 29 THR HB 1 30 LEU H . . 4.640 4.316 4.199 4.661 0.021 18 0 "[ . 1 . 2]" 1 259 1 29 THR MG 1 30 LEU H . . 4.420 2.563 2.252 3.877 . 0 0 "[ . 1 . 2]" 1 260 1 29 THR MG 1 31 SER H . . 5.280 2.681 1.795 4.607 . 0 0 "[ . 1 . 2]" 1 261 1 29 THR MG 1 32 THR H . . 4.880 2.799 1.965 4.822 . 0 0 "[ . 1 . 2]" 1 262 1 29 THR MG 1 32 THR HB . . 5.660 3.526 2.091 4.757 . 0 0 "[ . 1 . 2]" 1 263 1 29 THR MG 1 33 PHE H . . 4.910 3.498 2.917 4.121 . 0 0 "[ . 1 . 2]" 1 264 1 29 THR MG 1 33 PHE QB . . 5.710 3.968 3.151 4.812 . 0 0 "[ . 1 . 2]" 1 265 1 30 LEU H 1 30 LEU HB2 . . 4.160 3.099 2.334 3.185 . 0 0 "[ . 1 . 2]" 1 266 1 30 LEU H 1 30 LEU QB . . 3.610 2.959 2.225 3.049 . 0 0 "[ . 1 . 2]" 1 267 1 30 LEU H 1 30 LEU HB3 . . 4.160 3.757 2.805 4.034 . 0 0 "[ . 1 . 2]" 1 268 1 30 LEU H 1 30 LEU MD1 . . 5.050 3.589 2.670 4.584 . 0 0 "[ . 1 . 2]" 1 269 1 30 LEU H 1 30 LEU QD . . 4.330 3.485 2.653 4.163 . 0 0 "[ . 1 . 2]" 1 270 1 30 LEU H 1 30 LEU MD2 . . 5.050 4.902 4.309 5.025 . 0 0 "[ . 1 . 2]" 1 271 1 30 LEU H 1 30 LEU HG . . 4.940 4.734 4.540 4.884 . 0 0 "[ . 1 . 2]" 1 272 1 30 LEU H 1 31 SER H . . 5.430 2.930 2.524 3.634 . 0 0 "[ . 1 . 2]" 1 273 1 30 LEU HA 1 30 LEU MD1 . . 4.320 2.183 1.950 3.286 . 0 0 "[ . 1 . 2]" 1 274 1 30 LEU HA 1 30 LEU QD . . 3.790 2.159 1.945 3.049 . 0 0 "[ . 1 . 2]" 1 275 1 30 LEU HA 1 30 LEU MD2 . . 4.320 3.814 3.610 3.873 . 0 0 "[ . 1 . 2]" 1 276 1 30 LEU HA 1 33 PHE H . . 5.060 3.502 3.298 3.732 . 0 0 "[ . 1 . 2]" 1 277 1 30 LEU HA 1 33 PHE HB2 . . 4.970 3.327 2.253 3.613 . 0 0 "[ . 1 . 2]" 1 278 1 30 LEU HA 1 33 PHE QB . . 4.270 2.079 1.886 2.238 . 0 0 "[ . 1 . 2]" 1 279 1 30 LEU HA 1 33 PHE HB3 . . 4.970 2.179 1.925 3.840 . 0 0 "[ . 1 . 2]" 1 280 1 30 LEU HA 1 33 PHE QD . . 5.430 2.552 1.951 3.763 . 0 0 "[ . 1 . 2]" 1 281 1 30 LEU HA 1 34 ILE H . . 4.640 3.735 3.075 3.991 . 0 0 "[ . 1 . 2]" 1 282 1 30 LEU HA 1 34 ILE QG . . 5.610 3.494 2.676 3.736 . 0 0 "[ . 1 . 2]" 1 283 1 30 LEU QB 1 34 ILE QG . . 5.040 4.016 2.799 4.494 . 0 0 "[ . 1 . 2]" 1 284 1 30 LEU QD 1 31 SER H . . 5.920 4.208 3.752 4.523 . 0 0 "[ . 1 . 2]" 1 285 1 30 LEU QD 1 33 PHE QB . . 4.680 3.140 2.232 3.785 . 0 0 "[ . 1 . 2]" 1 286 1 30 LEU QD 1 33 PHE QD . . 5.920 2.236 1.926 4.029 . 0 0 "[ . 1 . 2]" 1 287 1 30 LEU QD 1 34 ILE H . . 5.170 4.223 3.664 4.540 . 0 0 "[ . 1 . 2]" 1 288 1 30 LEU QD 1 34 ILE QG . . 4.380 3.060 2.747 3.418 . 0 0 "[ . 1 . 2]" 1 289 1 30 LEU QD 1 55 LYS HA . . 4.730 4.227 3.548 4.797 0.067 11 0 "[ . 1 . 2]" 1 290 1 30 LEU QD 1 57 PRO HA . . 5.710 5.250 4.662 5.633 . 0 0 "[ . 1 . 2]" 1 291 1 30 LEU QD 1 57 PRO HG2 . . 3.920 2.461 1.925 3.096 . 0 0 "[ . 1 . 2]" 1 292 1 30 LEU QD 1 58 LEU H . . 4.800 3.696 2.992 4.283 . 0 0 "[ . 1 . 2]" 1 293 1 30 LEU QD 1 58 LEU HB3 . . 5.360 4.027 3.299 4.602 . 0 0 "[ . 1 . 2]" 1 294 1 30 LEU QD 1 58 LEU MD1 . . 3.750 2.977 2.221 3.661 . 0 0 "[ . 1 . 2]" 1 295 1 30 LEU MD1 1 55 LYS HA . . 6.000 5.422 4.562 5.854 . 0 0 "[ . 1 . 2]" 1 296 1 30 LEU MD1 1 58 LEU H . . 5.670 5.033 3.879 5.445 . 0 0 "[ . 1 . 2]" 1 297 1 30 LEU MD2 1 55 LYS HA . . 6.000 4.497 3.590 6.012 0.012 14 0 "[ . 1 . 2]" 1 298 1 30 LEU MD2 1 58 LEU H . . 5.670 3.857 3.010 4.642 . 0 0 "[ . 1 . 2]" 1 299 1 30 LEU HG 1 33 PHE QB . . 4.830 3.886 3.282 4.326 . 0 0 "[ . 1 . 2]" 1 300 1 30 LEU HG 1 33 PHE QD . . 4.560 2.954 2.074 4.720 0.160 4 0 "[ . 1 . 2]" 1 301 1 30 LEU HG 1 34 ILE HA . . 6.000 5.367 4.513 5.970 . 0 0 "[ . 1 . 2]" 1 302 1 30 LEU HG 1 57 PRO HB3 . . 5.540 5.271 4.575 5.615 0.075 19 0 "[ . 1 . 2]" 1 303 1 30 LEU HG 1 57 PRO HG2 . . 5.310 3.686 3.404 3.946 . 0 0 "[ . 1 . 2]" 1 304 1 30 LEU HG 1 57 PRO HG3 . . 3.690 3.507 2.918 3.850 0.160 19 0 "[ . 1 . 2]" 1 305 1 30 LEU HG 1 58 LEU H . . 4.900 4.857 4.343 5.104 0.204 14 0 "[ . 1 . 2]" 1 306 1 31 SER H 1 32 THR H . . 4.280 2.824 2.503 3.109 . 0 0 "[ . 1 . 2]" 1 307 1 31 SER QB 1 32 THR H . . 3.980 2.285 2.046 2.632 . 0 0 "[ . 1 . 2]" 1 308 1 32 THR H 1 35 GLU H . . 5.190 5.070 4.879 5.249 0.059 19 0 "[ . 1 . 2]" 1 309 1 32 THR HA 1 32 THR MG . . 3.240 2.359 2.272 2.462 . 0 0 "[ . 1 . 2]" 1 310 1 32 THR HA 1 35 GLU H . . 4.170 3.349 3.180 3.493 . 0 0 "[ . 1 . 2]" 1 311 1 32 THR HA 1 35 GLU QB . . 4.100 2.894 2.659 3.117 . 0 0 "[ . 1 . 2]" 1 312 1 32 THR HA 1 35 GLU HG2 . . 4.720 3.635 3.463 3.772 . 0 0 "[ . 1 . 2]" 1 313 1 32 THR HA 1 35 GLU HG3 . . 3.870 2.079 1.981 2.231 . 0 0 "[ . 1 . 2]" 1 314 1 32 THR HB 1 33 PHE H . . 4.550 2.944 2.577 3.232 . 0 0 "[ . 1 . 2]" 1 315 1 32 THR HB 1 34 ILE H . . 5.710 5.484 5.170 5.705 . 0 0 "[ . 1 . 2]" 1 316 1 32 THR MG 1 33 PHE H . . 5.120 3.756 3.311 3.967 . 0 0 "[ . 1 . 2]" 1 317 1 32 THR MG 1 35 GLU QB . . 4.860 2.985 2.332 3.393 . 0 0 "[ . 1 . 2]" 1 318 1 32 THR MG 1 35 GLU HG3 . . 3.780 3.580 3.211 3.808 0.028 7 0 "[ . 1 . 2]" 1 319 1 32 THR MG 1 36 ASP H . . 4.940 3.696 3.306 4.017 . 0 0 "[ . 1 . 2]" 1 320 1 33 PHE H 1 33 PHE QD . . 4.910 3.956 2.105 4.177 . 0 0 "[ . 1 . 2]" 1 321 1 33 PHE H 1 34 ILE H . . 4.260 2.856 2.775 2.970 . 0 0 "[ . 1 . 2]" 1 322 1 33 PHE H 1 34 ILE HB . . 5.760 5.113 5.016 5.277 . 0 0 "[ . 1 . 2]" 1 323 1 33 PHE H 1 34 ILE QG . . 5.020 4.204 4.049 4.326 . 0 0 "[ . 1 . 2]" 1 324 1 33 PHE H 1 35 GLU QB . . 5.810 5.190 4.984 5.414 . 0 0 "[ . 1 . 2]" 1 325 1 33 PHE HA 1 33 PHE QD . . 4.460 2.717 2.469 3.276 . 0 0 "[ . 1 . 2]" 1 326 1 33 PHE HA 1 34 ILE QG . . 5.300 4.992 4.887 5.122 . 0 0 "[ . 1 . 2]" 1 327 1 33 PHE HA 1 36 ASP QB . . 4.830 2.768 2.496 3.173 . 0 0 "[ . 1 . 2]" 1 328 1 33 PHE HA 1 37 LEU MD2 . . 5.690 4.751 4.629 4.870 . 0 0 "[ . 1 . 2]" 1 329 1 33 PHE QB 1 34 ILE H . . 4.170 2.540 2.125 3.037 . 0 0 "[ . 1 . 2]" 1 330 1 33 PHE QB 1 34 ILE QG . . 4.710 3.233 2.889 3.675 . 0 0 "[ . 1 . 2]" 1 331 1 33 PHE HB2 1 34 ILE H . . 5.050 3.839 2.145 4.087 . 0 0 "[ . 1 . 2]" 1 332 1 33 PHE HB3 1 34 ILE H . . 5.050 2.641 2.333 3.453 . 0 0 "[ . 1 . 2]" 1 333 1 33 PHE QD 1 34 ILE H . . 4.480 3.074 2.574 3.422 . 0 0 "[ . 1 . 2]" 1 334 1 33 PHE QD 1 34 ILE QG . . 4.400 2.648 2.117 4.000 . 0 0 "[ . 1 . 2]" 1 335 1 34 ILE H 1 34 ILE HB . . 3.550 2.654 2.621 2.696 . 0 0 "[ . 1 . 2]" 1 336 1 34 ILE H 1 34 ILE QG . . 3.460 1.862 1.776 1.920 . 0 0 "[ . 1 . 2]" 1 337 1 34 ILE H 1 34 ILE MG . . 3.990 3.760 3.754 3.763 . 0 0 "[ . 1 . 2]" 1 338 1 34 ILE H 1 35 GLU H . . 3.980 2.733 2.677 2.782 . 0 0 "[ . 1 . 2]" 1 339 1 34 ILE H 1 35 GLU HA . . 5.580 5.329 5.286 5.370 . 0 0 "[ . 1 . 2]" 1 340 1 34 ILE H 1 35 GLU HG2 . . 5.260 4.434 4.372 4.523 . 0 0 "[ . 1 . 2]" 1 341 1 34 ILE H 1 37 LEU H . . 5.210 5.103 5.022 5.154 . 0 0 "[ . 1 . 2]" 1 342 1 34 ILE H 1 37 LEU MD2 . . 5.220 4.160 4.018 4.380 . 0 0 "[ . 1 . 2]" 1 343 1 34 ILE HA 1 34 ILE QG . . 3.630 2.572 2.431 2.973 . 0 0 "[ . 1 . 2]" 1 344 1 34 ILE HA 1 36 ASP H . . 5.090 4.228 4.119 4.308 . 0 0 "[ . 1 . 2]" 1 345 1 34 ILE HA 1 37 LEU H . . 4.610 3.670 3.578 3.743 . 0 0 "[ . 1 . 2]" 1 346 1 34 ILE HA 1 37 LEU HB2 . . 5.540 5.161 5.027 5.329 . 0 0 "[ . 1 . 2]" 1 347 1 34 ILE HA 1 37 LEU HB3 . . 6.000 4.497 4.180 4.614 . 0 0 "[ . 1 . 2]" 1 348 1 34 ILE HA 1 37 LEU MD1 . . 5.040 3.258 2.981 3.624 . 0 0 "[ . 1 . 2]" 1 349 1 34 ILE HA 1 37 LEU MD2 . . 4.120 2.166 1.992 2.418 . 0 0 "[ . 1 . 2]" 1 350 1 34 ILE HA 1 38 LYS H . . 5.210 4.232 4.124 4.316 . 0 0 "[ . 1 . 2]" 1 351 1 34 ILE HA 1 38 LYS HB2 . . 5.020 4.769 4.700 4.823 . 0 0 "[ . 1 . 2]" 1 352 1 34 ILE HA 1 58 LEU HB3 . . 6.000 4.715 4.620 4.884 . 0 0 "[ . 1 . 2]" 1 353 1 34 ILE HA 1 63 ILE MD . . 4.770 3.991 3.738 4.227 . 0 0 "[ . 1 . 2]" 1 354 1 34 ILE HB 1 35 GLU H . . 3.410 2.647 2.527 2.802 . 0 0 "[ . 1 . 2]" 1 355 1 34 ILE HB 1 35 GLU HA . . 4.700 4.170 4.107 4.269 . 0 0 "[ . 1 . 2]" 1 356 1 34 ILE HB 1 37 LEU MD2 . . 5.230 4.789 4.619 4.949 . 0 0 "[ . 1 . 2]" 1 357 1 34 ILE QG 1 34 ILE MG . . 2.790 2.198 2.081 2.306 . 0 0 "[ . 1 . 2]" 1 358 1 34 ILE QG 1 35 GLU H . . 4.330 3.916 3.813 3.995 . 0 0 "[ . 1 . 2]" 1 359 1 34 ILE QG 1 35 GLU HG2 . . 5.470 4.971 4.722 5.094 . 0 0 "[ . 1 . 2]" 1 360 1 34 ILE QG 1 36 ASP H . . 6.000 5.426 5.277 5.563 . 0 0 "[ . 1 . 2]" 1 361 1 34 ILE QG 1 37 LEU H . . 6.000 5.669 5.542 5.988 . 0 0 "[ . 1 . 2]" 1 362 1 34 ILE QG 1 37 LEU MD2 . . 4.060 3.483 3.176 4.038 . 0 0 "[ . 1 . 2]" 1 363 1 34 ILE QG 1 37 LEU HG . . 5.380 4.618 4.422 5.046 . 0 0 "[ . 1 . 2]" 1 364 1 34 ILE QG 1 38 LYS QE . . 4.650 4.612 4.425 4.665 0.015 14 0 "[ . 1 . 2]" 1 365 1 34 ILE QG 1 57 PRO HB2 . . 3.820 3.520 2.789 3.943 0.123 4 0 "[ . 1 . 2]" 1 366 1 34 ILE QG 1 57 PRO HG2 . . 5.670 3.607 3.360 3.759 . 0 0 "[ . 1 . 2]" 1 367 1 34 ILE QG 1 57 PRO HG3 . . 5.890 4.186 3.788 4.426 . 0 0 "[ . 1 . 2]" 1 368 1 34 ILE QG 1 58 LEU H . . 4.070 3.653 3.522 3.843 . 0 0 "[ . 1 . 2]" 1 369 1 34 ILE QG 1 58 LEU HA . . 4.310 4.091 3.728 4.411 0.101 4 0 "[ . 1 . 2]" 1 370 1 34 ILE QG 1 58 LEU HB3 . . 4.950 2.930 2.619 3.647 . 0 0 "[ . 1 . 2]" 1 371 1 34 ILE QG 1 61 ASP QB . . 5.600 5.179 4.917 5.499 . 0 0 "[ . 1 . 2]" 1 372 1 34 ILE QG 1 63 ILE MD . . 4.370 4.162 3.783 4.427 0.057 8 0 "[ . 1 . 2]" 1 373 1 34 ILE MG 1 35 GLU H . . 4.070 3.646 3.584 3.718 . 0 0 "[ . 1 . 2]" 1 374 1 34 ILE MG 1 35 GLU HA . . 3.990 3.755 3.682 3.824 . 0 0 "[ . 1 . 2]" 1 375 1 34 ILE MG 1 36 ASP H . . 5.210 4.994 4.930 5.072 . 0 0 "[ . 1 . 2]" 1 376 1 34 ILE MG 1 37 LEU H . . 4.790 4.739 4.691 4.794 0.004 18 0 "[ . 1 . 2]" 1 377 1 34 ILE MG 1 37 LEU MD1 . . 4.210 2.741 2.488 3.128 . 0 0 "[ . 1 . 2]" 1 378 1 34 ILE MG 1 38 LYS H . . 4.640 4.120 4.001 4.196 . 0 0 "[ . 1 . 2]" 1 379 1 34 ILE MG 1 38 LYS QE . . 3.620 1.908 1.860 2.001 . 0 0 "[ . 1 . 2]" 1 380 1 34 ILE MG 1 38 LYS HG3 . . 3.520 2.193 2.064 2.262 . 0 0 "[ . 1 . 2]" 1 381 1 34 ILE MG 1 39 LYS H . . 5.790 5.767 5.656 5.815 0.025 11 0 "[ . 1 . 2]" 1 382 1 34 ILE MG 1 58 LEU HA . . 3.970 2.829 2.730 2.980 . 0 0 "[ . 1 . 2]" 1 383 1 34 ILE MG 1 58 LEU HB2 . . 4.880 3.755 3.615 3.985 . 0 0 "[ . 1 . 2]" 1 384 1 34 ILE MG 1 61 ASP QB . . 4.710 3.280 3.132 3.461 . 0 0 "[ . 1 . 2]" 1 385 1 34 ILE MG 1 63 ILE MD . . 3.010 2.377 2.157 2.553 . 0 0 "[ . 1 . 2]" 1 386 1 35 GLU H 1 35 GLU HG2 . . 3.880 2.186 2.159 2.249 . 0 0 "[ . 1 . 2]" 1 387 1 35 GLU H 1 35 GLU HG3 . . 3.380 2.633 2.547 2.765 . 0 0 "[ . 1 . 2]" 1 388 1 35 GLU H 1 36 ASP H . . 3.800 2.585 2.480 2.631 . 0 0 "[ . 1 . 2]" 1 389 1 35 GLU H 1 36 ASP HA . . 5.480 5.193 5.103 5.235 . 0 0 "[ . 1 . 2]" 1 390 1 35 GLU H 1 36 ASP QB . . 5.210 4.391 4.251 4.841 . 0 0 "[ . 1 . 2]" 1 391 1 35 GLU H 1 38 LYS H . . 5.300 4.623 4.582 4.657 . 0 0 "[ . 1 . 2]" 1 392 1 35 GLU H 1 38 LYS HB2 . . 5.250 4.393 4.351 4.500 . 0 0 "[ . 1 . 2]" 1 393 1 35 GLU HA 1 35 GLU HG2 . . 4.190 2.648 2.635 2.661 . 0 0 "[ . 1 . 2]" 1 394 1 35 GLU HA 1 35 GLU HG3 . . 3.970 3.781 3.769 3.797 . 0 0 "[ . 1 . 2]" 1 395 1 35 GLU HA 1 37 LEU H . . 4.890 4.648 4.470 4.723 . 0 0 "[ . 1 . 2]" 1 396 1 35 GLU HA 1 38 LYS H . . 4.400 3.344 3.282 3.434 . 0 0 "[ . 1 . 2]" 1 397 1 35 GLU HA 1 38 LYS HB2 . . 3.700 2.131 2.065 2.246 . 0 0 "[ . 1 . 2]" 1 398 1 35 GLU HA 1 38 LYS QE . . 5.000 2.725 2.328 3.236 . 0 0 "[ . 1 . 2]" 1 399 1 35 GLU HA 1 38 LYS HG3 . . 4.030 3.737 3.613 3.944 . 0 0 "[ . 1 . 2]" 1 400 1 35 GLU HA 1 39 LYS H . . 3.720 3.647 3.518 3.765 0.045 11 0 "[ . 1 . 2]" 1 401 1 35 GLU QB 1 36 ASP H . . 3.610 2.728 2.642 2.808 . 0 0 "[ . 1 . 2]" 1 402 1 35 GLU HB2 1 36 ASP H . . 4.120 2.780 2.689 2.866 . 0 0 "[ . 1 . 2]" 1 403 1 35 GLU HB3 1 36 ASP H . . 4.120 3.963 3.871 4.024 . 0 0 "[ . 1 . 2]" 1 404 1 35 GLU HG3 1 36 ASP H . . 4.710 4.267 4.186 4.341 . 0 0 "[ . 1 . 2]" 1 405 1 36 ASP H 1 36 ASP HB2 . . 3.890 2.292 2.103 2.731 . 0 0 "[ . 1 . 2]" 1 406 1 36 ASP H 1 36 ASP QB . . 3.390 2.221 2.071 2.650 . 0 0 "[ . 1 . 2]" 1 407 1 36 ASP H 1 36 ASP HB3 . . 3.890 3.095 2.555 3.585 . 0 0 "[ . 1 . 2]" 1 408 1 36 ASP H 1 37 LEU HB3 . . 5.340 5.250 5.026 5.370 0.030 11 0 "[ . 1 . 2]" 1 409 1 36 ASP H 1 37 LEU MD1 . . 5.770 5.263 5.057 5.580 . 0 0 "[ . 1 . 2]" 1 410 1 36 ASP H 1 37 LEU HG . . 5.690 4.122 3.977 4.346 . 0 0 "[ . 1 . 2]" 1 411 1 36 ASP H 1 38 LYS H . . 3.910 3.731 3.667 3.785 . 0 0 "[ . 1 . 2]" 1 412 1 36 ASP H 1 38 LYS HB2 . . 4.870 4.574 4.516 4.703 . 0 0 "[ . 1 . 2]" 1 413 1 36 ASP HA 1 38 LYS HB2 . . 5.520 5.368 5.296 5.531 0.011 4 0 "[ . 1 . 2]" 1 414 1 36 ASP HA 1 39 LYS H . . 4.470 3.641 3.602 3.712 . 0 0 "[ . 1 . 2]" 1 415 1 36 ASP HA 1 40 TYR QD . . 5.710 3.424 3.244 3.578 . 0 0 "[ . 1 . 2]" 1 416 1 36 ASP QB 1 37 LEU HB2 . . 5.390 5.118 5.051 5.277 . 0 0 "[ . 1 . 2]" 1 417 1 36 ASP QB 1 39 LYS H . . 5.810 4.979 4.944 5.041 . 0 0 "[ . 1 . 2]" 1 418 1 36 ASP QB 1 40 TYR H . . 5.810 5.216 4.993 5.387 . 0 0 "[ . 1 . 2]" 1 419 1 36 ASP HB2 1 37 LEU H . . 4.560 3.171 2.391 3.800 . 0 0 "[ . 1 . 2]" 1 420 1 36 ASP HB2 1 40 TYR QD . . 5.520 5.431 5.126 5.570 0.050 19 0 "[ . 1 . 2]" 1 421 1 36 ASP HB3 1 37 LEU H . . 4.560 2.682 2.336 3.751 . 0 0 "[ . 1 . 2]" 1 422 1 36 ASP HB3 1 40 TYR QD . . 5.520 4.687 4.168 5.164 . 0 0 "[ . 1 . 2]" 1 423 1 37 LEU H 1 37 LEU HB2 . . 4.000 3.597 3.586 3.608 . 0 0 "[ . 1 . 2]" 1 424 1 37 LEU H 1 37 LEU HB3 . . 4.120 2.582 2.431 2.664 . 0 0 "[ . 1 . 2]" 1 425 1 37 LEU H 1 37 LEU MD1 . . 4.420 3.582 3.421 3.822 . 0 0 "[ . 1 . 2]" 1 426 1 37 LEU H 1 37 LEU MD2 . . 4.030 3.218 3.117 3.284 . 0 0 "[ . 1 . 2]" 1 427 1 37 LEU H 1 37 LEU HG . . 3.830 2.139 1.995 2.439 . 0 0 "[ . 1 . 2]" 1 428 1 37 LEU H 1 38 LYS H . . 3.940 2.477 2.415 2.511 . 0 0 "[ . 1 . 2]" 1 429 1 37 LEU HA 1 37 LEU MD1 . . 3.650 3.568 3.489 3.627 . 0 0 "[ . 1 . 2]" 1 430 1 37 LEU HA 1 40 TYR H . . 4.670 3.582 3.518 3.692 . 0 0 "[ . 1 . 2]" 1 431 1 37 LEU HA 1 42 ALA MB . . 4.000 2.881 2.728 3.011 . 0 0 "[ . 1 . 2]" 1 432 1 37 LEU HA 1 101 ALA MB . . 5.060 3.524 3.447 3.616 . 0 0 "[ . 1 . 2]" 1 433 1 37 LEU HB2 1 38 LYS H . . 5.550 4.045 3.982 4.154 . 0 0 "[ . 1 . 2]" 1 434 1 37 LEU HB2 1 38 LYS HA . . 5.620 4.653 4.572 4.818 . 0 0 "[ . 1 . 2]" 1 435 1 37 LEU HB2 1 42 ALA H . . 5.490 4.372 4.287 4.509 . 0 0 "[ . 1 . 2]" 1 436 1 37 LEU HB2 1 42 ALA MB . . 4.570 2.373 2.227 2.563 . 0 0 "[ . 1 . 2]" 1 437 1 37 LEU HB3 1 38 LYS H . . 5.510 4.102 3.984 4.154 . 0 0 "[ . 1 . 2]" 1 438 1 37 LEU HB3 1 42 ALA MB . . 4.520 3.727 3.619 3.906 . 0 0 "[ . 1 . 2]" 1 439 1 37 LEU MD1 1 42 ALA H . . 4.650 3.945 3.706 4.116 . 0 0 "[ . 1 . 2]" 1 440 1 37 LEU MD1 1 42 ALA MB . . 3.550 2.953 2.760 3.091 . 0 0 "[ . 1 . 2]" 1 441 1 37 LEU MD1 1 45 VAL HB . . 5.870 5.477 5.266 5.738 . 0 0 "[ . 1 . 2]" 1 442 1 37 LEU MD1 1 45 VAL MG1 . . 4.250 3.777 3.574 4.184 . 0 0 "[ . 1 . 2]" 1 443 1 37 LEU MD1 1 101 ALA MB . . 3.560 3.258 2.979 3.380 . 0 0 "[ . 1 . 2]" 1 444 1 37 LEU MD2 1 38 LYS H . . 4.570 4.186 4.003 4.257 . 0 0 "[ . 1 . 2]" 1 445 1 37 LEU MD2 1 43 THR HA . . 6.000 5.882 5.590 6.012 0.012 10 0 "[ . 1 . 2]" 1 446 1 37 LEU MD2 1 63 ILE MD . . 3.630 3.192 2.658 3.483 . 0 0 "[ . 1 . 2]" 1 447 1 37 LEU MD2 1 63 ILE HG12 . . 5.220 4.828 4.343 5.109 . 0 0 "[ . 1 . 2]" 1 448 1 37 LEU MD2 1 63 ILE MG . . 3.830 2.994 2.665 3.243 . 0 0 "[ . 1 . 2]" 1 449 1 37 LEU MD2 1 101 ALA H . . 5.350 4.853 4.645 5.074 . 0 0 "[ . 1 . 2]" 1 450 1 37 LEU MD2 1 101 ALA MB . . 3.990 2.534 2.337 2.871 . 0 0 "[ . 1 . 2]" 1 451 1 37 LEU HG 1 38 LYS H . . 4.960 2.570 2.327 2.675 . 0 0 "[ . 1 . 2]" 1 452 1 37 LEU HG 1 38 LYS HB2 . . 4.140 4.009 3.777 4.139 . 0 0 "[ . 1 . 2]" 1 453 1 37 LEU HG 1 39 LYS H . . 4.990 4.936 4.721 5.012 0.022 2 0 "[ . 1 . 2]" 1 454 1 38 LYS H 1 38 LYS HB2 . . 3.490 2.201 2.184 2.231 . 0 0 "[ . 1 . 2]" 1 455 1 38 LYS H 1 38 LYS QD . . 4.930 4.703 4.649 4.738 . 0 0 "[ . 1 . 2]" 1 456 1 38 LYS H 1 38 LYS QE . . 4.860 4.212 3.899 4.578 . 0 0 "[ . 1 . 2]" 1 457 1 38 LYS H 1 38 LYS HG2 . . 4.550 3.759 3.562 3.903 . 0 0 "[ . 1 . 2]" 1 458 1 38 LYS H 1 38 LYS HG3 . . 3.610 3.170 3.006 3.247 . 0 0 "[ . 1 . 2]" 1 459 1 38 LYS H 1 39 LYS H . . 3.980 2.401 2.374 2.459 . 0 0 "[ . 1 . 2]" 1 460 1 38 LYS H 1 39 LYS QG . . 4.830 3.758 3.725 3.808 . 0 0 "[ . 1 . 2]" 1 461 1 38 LYS H 1 63 ILE MD . . 4.920 4.575 4.413 4.735 . 0 0 "[ . 1 . 2]" 1 462 1 38 LYS HA 1 38 LYS QD . . 4.210 3.651 3.447 3.842 . 0 0 "[ . 1 . 2]" 1 463 1 38 LYS HA 1 38 LYS HG2 . . 4.070 2.176 2.137 2.261 . 0 0 "[ . 1 . 2]" 1 464 1 38 LYS HA 1 38 LYS HG3 . . 3.710 3.163 3.015 3.341 . 0 0 "[ . 1 . 2]" 1 465 1 38 LYS HA 1 40 TYR H . . 4.520 4.427 4.366 4.485 . 0 0 "[ . 1 . 2]" 1 466 1 38 LYS HA 1 42 ALA H . . 4.350 3.403 3.248 3.513 . 0 0 "[ . 1 . 2]" 1 467 1 38 LYS HA 1 42 ALA MB . . 5.310 4.301 4.216 4.431 . 0 0 "[ . 1 . 2]" 1 468 1 38 LYS HB2 1 38 LYS QD . . 3.360 3.106 3.024 3.202 . 0 0 "[ . 1 . 2]" 1 469 1 38 LYS HB2 1 38 LYS QE . . 5.010 2.497 2.281 2.813 . 0 0 "[ . 1 . 2]" 1 470 1 38 LYS HB2 1 39 LYS H . . 3.240 2.862 2.751 2.931 . 0 0 "[ . 1 . 2]" 1 471 1 38 LYS HB3 1 38 LYS QD . . 3.330 2.177 1.995 2.353 . 0 0 "[ . 1 . 2]" 1 472 1 38 LYS HB3 1 38 LYS QE . . 5.010 3.026 2.534 3.182 . 0 0 "[ . 1 . 2]" 1 473 1 38 LYS QE 1 38 LYS HG3 . . 3.760 2.236 2.121 2.393 . 0 0 "[ . 1 . 2]" 1 474 1 38 LYS HG2 1 42 ALA H . . 5.690 5.344 5.131 5.493 . 0 0 "[ . 1 . 2]" 1 475 1 38 LYS HG3 1 39 LYS H . . 4.850 4.821 4.740 4.861 0.011 2 0 "[ . 1 . 2]" 1 476 1 39 LYS H 1 39 LYS QG . . 4.780 2.175 2.140 2.242 . 0 0 "[ . 1 . 2]" 1 477 1 39 LYS H 1 40 TYR H . . 3.860 2.512 2.472 2.581 . 0 0 "[ . 1 . 2]" 1 478 1 39 LYS H 1 40 TYR HA . . 5.250 5.150 5.117 5.204 . 0 0 "[ . 1 . 2]" 1 479 1 39 LYS H 1 40 TYR HB2 . . 5.170 4.384 4.342 4.467 . 0 0 "[ . 1 . 2]" 1 480 1 39 LYS H 1 40 TYR QD . . 5.350 4.258 4.210 4.395 . 0 0 "[ . 1 . 2]" 1 481 1 39 LYS HA 1 39 LYS QE . . 5.730 4.318 4.184 4.513 . 0 0 "[ . 1 . 2]" 1 482 1 39 LYS HA 1 39 LYS QG . . 3.740 3.339 3.335 3.341 . 0 0 "[ . 1 . 2]" 1 483 1 39 LYS QB 1 39 LYS QD . . 3.450 2.256 2.188 2.339 . 0 0 "[ . 1 . 2]" 1 484 1 39 LYS QB 1 39 LYS QE . . 4.070 2.123 1.959 2.419 . 0 0 "[ . 1 . 2]" 1 485 1 39 LYS QB 1 40 TYR HB2 . . 5.810 5.206 5.180 5.217 . 0 0 "[ . 1 . 2]" 1 486 1 39 LYS HB2 1 39 LYS QE . . 4.740 2.368 2.029 3.251 . 0 0 "[ . 1 . 2]" 1 487 1 39 LYS HB3 1 39 LYS QE . . 4.740 2.940 1.979 3.389 . 0 0 "[ . 1 . 2]" 1 488 1 39 LYS QG 1 40 TYR H . . 4.680 2.141 2.074 2.171 . 0 0 "[ . 1 . 2]" 1 489 1 39 LYS QG 1 40 TYR HA . . 4.840 3.154 3.123 3.208 . 0 0 "[ . 1 . 2]" 1 490 1 40 TYR H 1 40 TYR HB2 . . 3.790 2.150 2.133 2.162 . 0 0 "[ . 1 . 2]" 1 491 1 40 TYR H 1 40 TYR HB3 . . 3.960 3.460 3.444 3.470 . 0 0 "[ . 1 . 2]" 1 492 1 40 TYR H 1 40 TYR QD . . 3.770 2.588 2.543 2.649 . 0 0 "[ . 1 . 2]" 1 493 1 40 TYR H 1 40 TYR QE . . 5.150 4.901 4.863 4.947 . 0 0 "[ . 1 . 2]" 1 494 1 40 TYR H 1 41 GLY H . . 3.740 2.588 2.562 2.618 . 0 0 "[ . 1 . 2]" 1 495 1 40 TYR H 1 41 GLY QA . . 5.020 4.505 4.472 4.536 . 0 0 "[ . 1 . 2]" 1 496 1 40 TYR H 1 42 ALA H . . 4.490 3.884 3.761 3.986 . 0 0 "[ . 1 . 2]" 1 497 1 40 TYR HA 1 40 TYR QD . . 4.000 2.988 2.871 3.028 . 0 0 "[ . 1 . 2]" 1 498 1 40 TYR HA 1 40 TYR QE . . 5.210 4.480 4.432 4.499 . 0 0 "[ . 1 . 2]" 1 499 1 40 TYR HA 1 42 ALA MB . . 5.610 5.307 5.219 5.385 . 0 0 "[ . 1 . 2]" 1 500 1 40 TYR HB2 1 41 GLY H . . 4.610 3.499 3.440 3.557 . 0 0 "[ . 1 . 2]" 1 501 1 40 TYR HB3 1 41 GLY H . . 4.710 3.858 3.784 3.926 . 0 0 "[ . 1 . 2]" 1 502 1 40 TYR QD 1 41 GLY H . . 4.920 4.733 4.705 4.767 . 0 0 "[ . 1 . 2]" 1 503 1 41 GLY H 1 42 ALA H . . 3.640 2.383 2.317 2.449 . 0 0 "[ . 1 . 2]" 1 504 1 41 GLY H 1 42 ALA HA . . 5.340 5.054 5.005 5.105 . 0 0 "[ . 1 . 2]" 1 505 1 41 GLY H 1 42 ALA MB . . 4.290 4.127 4.080 4.184 . 0 0 "[ . 1 . 2]" 1 506 1 41 GLY QA 1 42 ALA MB . . 5.040 4.173 4.145 4.196 . 0 0 "[ . 1 . 2]" 1 507 1 41 GLY HA2 1 42 ALA MB . . 5.750 4.679 4.645 4.720 . 0 0 "[ . 1 . 2]" 1 508 1 41 GLY HA2 1 43 THR MG . . 6.000 4.501 4.385 4.607 . 0 0 "[ . 1 . 2]" 1 509 1 41 GLY HA3 1 42 ALA MB . . 5.750 4.688 4.650 4.737 . 0 0 "[ . 1 . 2]" 1 510 1 41 GLY HA3 1 43 THR MG . . 6.000 5.232 5.103 5.445 . 0 0 "[ . 1 . 2]" 1 511 1 42 ALA H 1 42 ALA MB . . 3.530 2.366 2.314 2.416 . 0 0 "[ . 1 . 2]" 1 512 1 42 ALA H 1 63 ILE MG . . 6.000 6.018 5.815 6.078 0.078 15 0 "[ . 1 . 2]" 1 513 1 42 ALA H 1 99 CYS HB2 . . 5.380 3.610 3.419 3.803 . 0 0 "[ . 1 . 2]" 1 514 1 42 ALA H 1 99 CYS QB . . 4.690 3.539 3.363 3.737 . 0 0 "[ . 1 . 2]" 1 515 1 42 ALA H 1 99 CYS HB3 . . 5.380 5.134 4.591 5.479 0.099 15 0 "[ . 1 . 2]" 1 516 1 42 ALA H 1 101 ALA MB . . 6.000 5.127 5.040 5.231 . 0 0 "[ . 1 . 2]" 1 517 1 42 ALA HA 1 43 THR MG . . 5.110 3.693 3.527 3.978 . 0 0 "[ . 1 . 2]" 1 518 1 42 ALA HA 1 44 THR H . . 5.160 3.796 3.649 3.942 . 0 0 "[ . 1 . 2]" 1 519 1 42 ALA HA 1 99 CYS H . . 4.340 2.057 1.782 2.652 . 0 0 "[ . 1 . 2]" 1 520 1 42 ALA HA 1 99 CYS HB2 . . 4.980 2.198 1.923 2.437 . 0 0 "[ . 1 . 2]" 1 521 1 42 ALA HA 1 99 CYS QB . . 4.290 2.179 1.895 2.416 . 0 0 "[ . 1 . 2]" 1 522 1 42 ALA HA 1 99 CYS HB3 . . 4.980 3.572 2.863 3.974 . 0 0 "[ . 1 . 2]" 1 523 1 42 ALA MB 1 43 THR H . . 4.870 3.247 3.177 3.302 . 0 0 "[ . 1 . 2]" 1 524 1 42 ALA MB 1 44 THR H . . 3.730 2.763 2.597 2.893 . 0 0 "[ . 1 . 2]" 1 525 1 42 ALA MB 1 44 THR HB . . 5.810 4.340 4.238 4.437 . 0 0 "[ . 1 . 2]" 1 526 1 42 ALA MB 1 98 SER QB . . 5.870 4.310 4.090 4.615 . 0 0 "[ . 1 . 2]" 1 527 1 42 ALA MB 1 99 CYS H . . 4.340 3.539 3.312 3.943 . 0 0 "[ . 1 . 2]" 1 528 1 42 ALA MB 1 99 CYS HB2 . . 4.570 1.981 1.908 2.319 . 0 0 "[ . 1 . 2]" 1 529 1 42 ALA MB 1 99 CYS QB . . 3.980 1.900 1.843 2.003 . 0 0 "[ . 1 . 2]" 1 530 1 42 ALA MB 1 99 CYS HB3 . . 4.570 2.637 1.960 3.013 . 0 0 "[ . 1 . 2]" 1 531 1 42 ALA MB 1 101 ALA H . . 4.450 2.727 2.580 2.915 . 0 0 "[ . 1 . 2]" 1 532 1 42 ALA MB 1 101 ALA MB . . 3.560 2.491 2.419 2.561 . 0 0 "[ . 1 . 2]" 1 533 1 42 ALA MB 1 102 VAL H . . 5.640 5.494 5.385 5.610 . 0 0 "[ . 1 . 2]" 1 534 1 43 THR H 1 44 THR H . . 3.960 3.012 2.801 3.186 . 0 0 "[ . 1 . 2]" 1 535 1 43 THR H 1 63 ILE HA . . 5.920 5.988 5.867 6.106 0.186 4 0 "[ . 1 . 2]" 1 536 1 43 THR HA 1 43 THR MG . . 3.380 2.372 2.223 2.457 . 0 0 "[ . 1 . 2]" 1 537 1 43 THR HA 1 63 ILE MD . . 4.420 4.204 4.061 4.255 . 0 0 "[ . 1 . 2]" 1 538 1 43 THR HA 1 63 ILE HG12 . . 4.970 2.744 2.630 2.791 . 0 0 "[ . 1 . 2]" 1 539 1 43 THR HA 1 63 ILE HG13 . . 4.590 4.131 4.041 4.219 . 0 0 "[ . 1 . 2]" 1 540 1 43 THR HA 1 63 ILE MG . . 4.460 2.832 2.795 2.895 . 0 0 "[ . 1 . 2]" 1 541 1 43 THR HA 1 64 THR H . . 5.790 4.125 3.970 4.226 . 0 0 "[ . 1 . 2]" 1 542 1 43 THR MG 1 44 THR H . . 4.420 4.316 4.250 4.382 . 0 0 "[ . 1 . 2]" 1 543 1 43 THR MG 1 63 ILE HA . . 4.800 4.461 4.080 4.652 . 0 0 "[ . 1 . 2]" 1 544 1 43 THR MG 1 64 THR H . . 5.440 4.960 4.832 5.100 . 0 0 "[ . 1 . 2]" 1 545 1 44 THR H 1 44 THR HB . . 3.700 3.509 3.449 3.552 . 0 0 "[ . 1 . 2]" 1 546 1 44 THR H 1 44 THR MG . . 4.030 3.842 3.741 3.908 . 0 0 "[ . 1 . 2]" 1 547 1 44 THR H 1 45 VAL H . . 4.850 4.315 4.247 4.372 . 0 0 "[ . 1 . 2]" 1 548 1 44 THR H 1 63 ILE MG . . 4.310 2.717 2.625 2.854 . 0 0 "[ . 1 . 2]" 1 549 1 44 THR H 1 64 THR H . . 4.920 4.561 4.454 4.677 . 0 0 "[ . 1 . 2]" 1 550 1 44 THR H 1 66 VAL MG2 . . 5.800 5.033 4.826 5.225 . 0 0 "[ . 1 . 2]" 1 551 1 44 THR H 1 101 ALA H . . 4.620 3.260 3.169 3.339 . 0 0 "[ . 1 . 2]" 1 552 1 44 THR H 1 101 ALA MB . . 4.460 3.548 3.454 3.636 . 0 0 "[ . 1 . 2]" 1 553 1 44 THR HA 1 44 THR MG . . 3.740 2.070 2.051 2.092 . 0 0 "[ . 1 . 2]" 1 554 1 44 THR HA 1 45 VAL H . . 3.550 2.213 2.195 2.243 . 0 0 "[ . 1 . 2]" 1 555 1 44 THR HA 1 45 VAL HB . . 5.070 4.982 4.918 5.037 . 0 0 "[ . 1 . 2]" 1 556 1 44 THR HA 1 45 VAL MG1 . . 5.530 5.353 5.314 5.392 . 0 0 "[ . 1 . 2]" 1 557 1 44 THR HA 1 63 ILE MG . . 4.440 2.212 2.030 2.262 . 0 0 "[ . 1 . 2]" 1 558 1 44 THR HA 1 64 THR H . . 3.890 2.796 2.715 2.845 . 0 0 "[ . 1 . 2]" 1 559 1 44 THR HA 1 64 THR HB . . 4.570 2.550 2.349 2.696 . 0 0 "[ . 1 . 2]" 1 560 1 44 THR HA 1 65 VAL H . . 5.280 5.102 5.051 5.174 . 0 0 "[ . 1 . 2]" 1 561 1 44 THR HA 1 66 VAL HB . . 6.000 5.565 5.477 5.737 . 0 0 "[ . 1 . 2]" 1 562 1 44 THR HB 1 45 VAL H . . 5.180 3.260 3.169 3.345 . 0 0 "[ . 1 . 2]" 1 563 1 44 THR HB 1 64 THR H . . 5.480 5.479 5.412 5.522 0.042 8 0 "[ . 1 . 2]" 1 564 1 44 THR HB 1 66 VAL HB . . 6.000 4.172 3.914 4.365 . 0 0 "[ . 1 . 2]" 1 565 1 44 THR HB 1 100 VAL HA . . 4.780 2.778 2.579 3.071 . 0 0 "[ . 1 . 2]" 1 566 1 44 THR HB 1 100 VAL QG . . 5.130 2.573 2.216 3.187 . 0 0 "[ . 1 . 2]" 1 567 1 44 THR HB 1 101 ALA H . . 5.230 2.280 2.042 2.458 . 0 0 "[ . 1 . 2]" 1 568 1 44 THR MG 1 64 THR H . . 4.510 3.438 3.373 3.527 . 0 0 "[ . 1 . 2]" 1 569 1 44 THR MG 1 64 THR HB . . 3.550 1.782 1.753 1.807 . 0 0 "[ . 1 . 2]" 1 570 1 44 THR MG 1 66 VAL H . . 4.780 3.695 3.598 3.773 . 0 0 "[ . 1 . 2]" 1 571 1 44 THR MG 1 66 VAL HB . . 4.810 3.811 3.747 3.898 . 0 0 "[ . 1 . 2]" 1 572 1 44 THR MG 1 66 VAL MG1 . . 4.460 3.487 3.383 3.609 . 0 0 "[ . 1 . 2]" 1 573 1 44 THR MG 1 66 VAL MG2 . . 3.570 1.650 1.634 1.681 . 0 0 "[ . 1 . 2]" 1 574 1 44 THR MG 1 101 ALA H . . 5.030 3.895 3.730 4.018 . 0 0 "[ . 1 . 2]" 1 575 1 45 VAL H 1 45 VAL HB . . 3.990 2.793 2.727 2.853 . 0 0 "[ . 1 . 2]" 1 576 1 45 VAL H 1 45 VAL MG1 . . 3.890 3.792 3.776 3.813 . 0 0 "[ . 1 . 2]" 1 577 1 45 VAL H 1 45 VAL MG2 . . 3.540 1.902 1.831 1.990 . 0 0 "[ . 1 . 2]" 1 578 1 45 VAL H 1 63 ILE HB . . 5.560 4.876 4.802 5.033 . 0 0 "[ . 1 . 2]" 1 579 1 45 VAL H 1 63 ILE MD . . 5.410 5.313 5.215 5.458 0.048 11 0 "[ . 1 . 2]" 1 580 1 45 VAL H 1 63 ILE MG . . 4.290 2.480 2.401 2.733 . 0 0 "[ . 1 . 2]" 1 581 1 45 VAL H 1 64 THR H . . 4.540 4.370 4.295 4.492 . 0 0 "[ . 1 . 2]" 1 582 1 45 VAL H 1 64 THR HA . . 5.150 4.971 4.902 5.029 . 0 0 "[ . 1 . 2]" 1 583 1 45 VAL H 1 64 THR HB . . 4.940 4.137 3.980 4.240 . 0 0 "[ . 1 . 2]" 1 584 1 45 VAL H 1 65 VAL H . . 5.390 4.758 4.682 4.842 . 0 0 "[ . 1 . 2]" 1 585 1 45 VAL H 1 65 VAL HA . . 4.210 3.083 2.924 3.173 . 0 0 "[ . 1 . 2]" 1 586 1 45 VAL H 1 65 VAL QG . . 5.270 4.567 4.015 4.674 . 0 0 "[ . 1 . 2]" 1 587 1 45 VAL H 1 66 VAL H . . 4.890 2.918 2.739 3.129 . 0 0 "[ . 1 . 2]" 1 588 1 45 VAL H 1 66 VAL MG2 . . 4.950 2.592 2.338 2.829 . 0 0 "[ . 1 . 2]" 1 589 1 45 VAL H 1 101 ALA H . . 5.540 4.677 4.483 4.811 . 0 0 "[ . 1 . 2]" 1 590 1 45 VAL H 1 101 ALA MB . . 5.300 4.200 4.076 4.248 . 0 0 "[ . 1 . 2]" 1 591 1 45 VAL HA 1 45 VAL MG2 . . 3.490 2.596 2.535 2.652 . 0 0 "[ . 1 . 2]" 1 592 1 45 VAL HA 1 63 ILE MG . . 5.040 3.151 2.971 3.260 . 0 0 "[ . 1 . 2]" 1 593 1 45 VAL HA 1 66 VAL H . . 5.260 4.769 4.609 4.904 . 0 0 "[ . 1 . 2]" 1 594 1 45 VAL HA 1 101 ALA H . . 4.840 4.535 4.393 4.614 . 0 0 "[ . 1 . 2]" 1 595 1 45 VAL HA 1 101 ALA MB . . 4.170 2.572 2.407 2.639 . 0 0 "[ . 1 . 2]" 1 596 1 45 VAL HB 1 63 ILE MG . . 4.490 3.923 3.835 4.098 . 0 0 "[ . 1 . 2]" 1 597 1 45 VAL HB 1 65 VAL H . . 6.000 5.519 5.350 5.689 . 0 0 "[ . 1 . 2]" 1 598 1 45 VAL HB 1 65 VAL HA . . 4.670 2.712 2.534 2.879 . 0 0 "[ . 1 . 2]" 1 599 1 45 VAL HB 1 65 VAL QG . . 4.770 3.676 2.647 3.979 . 0 0 "[ . 1 . 2]" 1 600 1 45 VAL HB 1 66 VAL H . . 4.910 2.655 2.441 2.804 . 0 0 "[ . 1 . 2]" 1 601 1 45 VAL HB 1 66 VAL MG1 . . 5.990 5.648 5.522 5.809 . 0 0 "[ . 1 . 2]" 1 602 1 45 VAL HB 1 101 ALA MB . . 4.980 4.829 4.707 4.908 . 0 0 "[ . 1 . 2]" 1 603 1 45 VAL MG1 1 46 VAL H . . 3.550 2.307 1.945 2.463 . 0 0 "[ . 1 . 2]" 1 604 1 45 VAL MG1 1 63 ILE MG . . 3.800 3.550 3.492 3.654 . 0 0 "[ . 1 . 2]" 1 605 1 45 VAL MG1 1 65 VAL HA . . 4.890 4.094 3.884 4.222 . 0 0 "[ . 1 . 2]" 1 606 1 45 VAL MG1 1 101 ALA MB . . 3.750 3.737 3.622 3.794 0.044 8 0 "[ . 1 . 2]" 1 607 1 45 VAL MG2 1 46 VAL H . . 4.310 4.153 4.095 4.191 . 0 0 "[ . 1 . 2]" 1 608 1 45 VAL MG2 1 63 ILE MG . . 3.830 1.717 1.678 1.802 . 0 0 "[ . 1 . 2]" 1 609 1 45 VAL MG2 1 65 VAL HA . . 4.960 2.299 2.070 2.445 . 0 0 "[ . 1 . 2]" 1 610 1 45 VAL MG2 1 66 VAL H . . 5.000 3.300 3.145 3.523 . 0 0 "[ . 1 . 2]" 1 611 1 46 VAL H 1 46 VAL HB . . 4.200 3.620 3.610 3.630 . 0 0 "[ . 1 . 2]" 1 612 1 46 VAL H 1 101 ALA MB . . 4.130 2.426 2.266 2.497 . 0 0 "[ . 1 . 2]" 1 613 1 46 VAL H 1 102 VAL HA . . 4.640 4.409 4.335 4.485 . 0 0 "[ . 1 . 2]" 1 614 1 46 VAL HA 1 66 VAL H . . 5.750 5.212 5.103 5.324 . 0 0 "[ . 1 . 2]" 1 615 1 46 VAL HA 1 66 VAL HB . . 4.450 3.714 3.635 3.820 . 0 0 "[ . 1 . 2]" 1 616 1 46 VAL HA 1 66 VAL MG1 . . 4.950 4.525 4.442 4.635 . 0 0 "[ . 1 . 2]" 1 617 1 46 VAL HA 1 66 VAL MG2 . . 4.890 4.472 4.366 4.566 . 0 0 "[ . 1 . 2]" 1 618 1 46 VAL HA 1 101 ALA MB . . 4.710 3.193 3.132 3.253 . 0 0 "[ . 1 . 2]" 1 619 1 46 VAL HA 1 102 VAL HB . . 5.210 4.017 3.941 4.435 . 0 0 "[ . 1 . 2]" 1 620 1 46 VAL HB 1 47 ARG H . . 5.730 4.517 4.485 4.537 . 0 0 "[ . 1 . 2]" 1 621 1 46 VAL HB 1 102 VAL H . . 5.290 3.468 3.344 3.618 . 0 0 "[ . 1 . 2]" 1 622 1 46 VAL HB 1 102 VAL HA . . 5.060 2.725 2.555 2.925 . 0 0 "[ . 1 . 2]" 1 623 1 46 VAL HB 1 102 VAL HB . . 4.680 4.518 4.400 4.868 0.188 10 0 "[ . 1 . 2]" 1 624 1 46 VAL HB 1 103 HIS H . . 4.930 2.640 2.531 2.744 . 0 0 "[ . 1 . 2]" 1 625 1 46 VAL QG 1 47 ARG H . . 4.140 3.432 3.350 3.506 . 0 0 "[ . 1 . 2]" 1 626 1 47 ARG H 1 66 VAL HA . . 5.420 5.091 4.991 5.184 . 0 0 "[ . 1 . 2]" 1 627 1 47 ARG H 1 66 VAL HB . . 4.620 3.021 2.860 3.151 . 0 0 "[ . 1 . 2]" 1 628 1 47 ARG H 1 66 VAL MG1 . . 5.270 4.385 4.243 4.545 . 0 0 "[ . 1 . 2]" 1 629 1 47 ARG H 1 66 VAL MG2 . . 4.720 4.027 3.881 4.152 . 0 0 "[ . 1 . 2]" 1 630 1 47 ARG H 1 67 ASP HA . . 5.100 4.506 4.362 4.645 . 0 0 "[ . 1 . 2]" 1 631 1 47 ARG H 1 68 TRP H . . 6.000 5.851 5.552 5.970 . 0 0 "[ . 1 . 2]" 1 632 1 47 ARG HA 1 47 ARG QD . . 4.810 3.916 3.728 4.074 . 0 0 "[ . 1 . 2]" 1 633 1 47 ARG HA 1 51 VAL H . . 6.000 5.526 5.329 6.006 0.006 2 0 "[ . 1 . 2]" 1 634 1 47 ARG HA 1 51 VAL QG . . 3.910 2.214 2.011 2.574 . 0 0 "[ . 1 . 2]" 1 635 1 47 ARG HA 1 66 VAL H . . 6.000 5.315 5.085 5.428 . 0 0 "[ . 1 . 2]" 1 636 1 47 ARG HA 1 67 ASP H . . 6.000 6.077 5.994 6.137 0.137 14 0 "[ . 1 . 2]" 1 637 1 47 ARG QB 1 66 VAL HB . . 5.320 3.466 3.250 3.897 . 0 0 "[ . 1 . 2]" 1 638 1 47 ARG QB 1 66 VAL MG1 . . 5.380 4.051 3.936 4.177 . 0 0 "[ . 1 . 2]" 1 639 1 47 ARG QB 1 68 TRP H . . 4.930 3.842 3.649 3.995 . 0 0 "[ . 1 . 2]" 1 640 1 47 ARG QD 1 51 VAL QG . . 4.020 3.044 2.718 3.664 . 0 0 "[ . 1 . 2]" 1 641 1 47 ARG QD 1 53 TYR H . . 6.000 5.751 5.087 6.070 0.070 1 0 "[ . 1 . 2]" 1 642 1 47 ARG QG 1 51 VAL QG . . 4.520 2.541 1.874 3.643 . 0 0 "[ . 1 . 2]" 1 643 1 47 ARG QG 1 66 VAL MG1 . . 5.770 5.347 4.490 5.764 . 0 0 "[ . 1 . 2]" 1 644 1 47 ARG QG 1 67 ASP HA . . 5.360 4.074 3.970 4.150 . 0 0 "[ . 1 . 2]" 1 645 1 49 CYS HA 1 71 ASP H . . 4.590 2.543 2.020 3.003 . 0 0 "[ . 1 . 2]" 1 646 1 49 CYS QB 1 70 PHE QB . . 5.610 4.889 4.217 6.483 0.873 8 1 "[ . + 1 . 2]" 1 647 1 49 CYS QB 1 71 ASP H . . 4.400 4.195 3.589 4.589 0.189 14 0 "[ . 1 . 2]" 1 648 1 49 CYS QB 1 71 ASP HA . . 4.370 3.929 2.883 4.523 0.153 4 0 "[ . 1 . 2]" 1 649 1 49 CYS HB2 1 71 ASP H . . 5.090 4.613 4.045 5.350 0.260 14 0 "[ . 1 . 2]" 1 650 1 49 CYS HB2 1 71 ASP HA . . 5.190 4.318 3.067 5.315 0.125 8 0 "[ . 1 . 2]" 1 651 1 49 CYS HB3 1 71 ASP H . . 5.090 4.848 4.012 5.196 0.106 13 0 "[ . 1 . 2]" 1 652 1 49 CYS HB3 1 71 ASP HA . . 5.190 4.580 3.504 5.365 0.175 7 0 "[ . 1 . 2]" 1 653 1 50 GLU H 1 51 VAL H . . 4.900 3.661 3.502 3.935 . 0 0 "[ . 1 . 2]" 1 654 1 50 GLU H 1 71 ASP QB . . 5.810 2.069 1.850 3.918 . 0 0 "[ . 1 . 2]" 1 655 1 50 GLU HA 1 51 VAL HA . . 5.240 4.590 4.512 4.638 . 0 0 "[ . 1 . 2]" 1 656 1 50 GLU HA 1 51 VAL QG . . 4.680 3.745 3.559 4.413 . 0 0 "[ . 1 . 2]" 1 657 1 50 GLU HA 1 52 THR H . . 6.000 6.115 6.001 6.324 0.324 2 0 "[ . 1 . 2]" 1 658 1 50 GLU QB 1 51 VAL H . . 4.210 3.997 3.946 4.047 . 0 0 "[ . 1 . 2]" 1 659 1 50 GLU HB2 1 51 VAL H . . 4.970 4.582 4.280 4.653 . 0 0 "[ . 1 . 2]" 1 660 1 50 GLU HB3 1 51 VAL H . . 4.970 4.421 4.334 4.650 . 0 0 "[ . 1 . 2]" 1 661 1 50 GLU QG 1 51 VAL H . . 4.510 4.159 3.810 4.458 . 0 0 "[ . 1 . 2]" 1 662 1 50 GLU QG 1 51 VAL QG . . 5.060 4.599 4.233 4.963 . 0 0 "[ . 1 . 2]" 1 663 1 50 GLU QG 1 52 THR H . . 5.900 5.514 4.890 5.860 . 0 0 "[ . 1 . 2]" 1 664 1 50 GLU QG 1 52 THR MG . . 3.830 3.109 2.382 3.870 0.040 10 0 "[ . 1 . 2]" 1 665 1 51 VAL H 1 51 VAL HB . . 3.900 3.482 2.230 3.648 . 0 0 "[ . 1 . 2]" 1 666 1 51 VAL H 1 51 VAL QG . . 3.530 1.968 1.841 2.721 . 0 0 "[ . 1 . 2]" 1 667 1 51 VAL H 1 52 THR HA . . 5.470 5.498 5.384 5.601 0.131 14 0 "[ . 1 . 2]" 1 668 1 51 VAL H 1 52 THR MG . . 4.890 4.152 3.995 4.845 . 0 0 "[ . 1 . 2]" 1 669 1 51 VAL H 1 53 TYR H . . 6.000 5.994 5.904 6.121 0.121 2 0 "[ . 1 . 2]" 1 670 1 51 VAL HA 1 53 TYR H . . 4.660 4.032 3.810 4.237 . 0 0 "[ . 1 . 2]" 1 671 1 51 VAL HA 1 67 ASP HB2 . . 6.000 6.174 5.995 6.312 0.312 12 0 "[ . 1 . 2]" 1 672 1 51 VAL HA 1 67 ASP HB3 . . 6.000 6.094 5.899 6.183 0.183 6 0 "[ . 1 . 2]" 1 673 1 51 VAL HB 1 67 ASP HA . . 5.740 5.083 4.045 5.487 . 0 0 "[ . 1 . 2]" 1 674 1 51 VAL QG 1 52 THR H . . 5.360 3.247 2.210 3.406 . 0 0 "[ . 1 . 2]" 1 675 1 51 VAL QG 1 53 TYR H . . 4.170 3.572 1.922 3.835 . 0 0 "[ . 1 . 2]" 1 676 1 51 VAL QG 1 53 TYR QB . . 4.820 4.767 3.518 5.134 0.314 7 0 "[ . 1 . 2]" 1 677 1 51 VAL QG 1 67 ASP H . . 5.920 4.475 4.293 4.884 . 0 0 "[ . 1 . 2]" 1 678 1 51 VAL QG 1 67 ASP HA . . 4.970 2.680 2.442 3.129 . 0 0 "[ . 1 . 2]" 1 679 1 52 THR H 1 53 TYR H . . 4.910 2.236 1.873 2.462 . 0 0 "[ . 1 . 2]" 1 680 1 52 THR HB 1 53 TYR H . . 4.620 4.495 4.438 4.638 0.018 2 0 "[ . 1 . 2]" 1 681 1 52 THR MG 1 53 TYR H . . 4.410 4.274 3.614 4.366 . 0 0 "[ . 1 . 2]" 1 682 1 53 TYR H 1 54 ASP H . . 5.550 4.326 4.128 4.456 . 0 0 "[ . 1 . 2]" 1 683 1 53 TYR QB 1 53 TYR HE1 . . 4.620 4.454 4.418 4.522 . 0 0 "[ . 1 . 2]" 1 684 1 54 ASP QB 1 56 THR H . . 5.050 4.489 4.339 4.629 . 0 0 "[ . 1 . 2]" 1 685 1 54 ASP QB 1 57 PRO HD2 . . 5.810 5.813 5.667 5.935 0.125 9 0 "[ . 1 . 2]" 1 686 1 54 ASP HB2 1 56 THR MG . . 4.040 3.870 3.853 3.902 . 0 0 "[ . 1 . 2]" 1 687 1 54 ASP HB3 1 56 THR MG . . 4.040 3.563 3.453 3.857 . 0 0 "[ . 1 . 2]" 1 688 1 55 LYS H 1 55 LYS QE . . 5.010 2.864 1.929 4.400 . 0 0 "[ . 1 . 2]" 1 689 1 55 LYS H 1 55 LYS QG . . 4.620 1.979 1.695 2.252 . 0 0 "[ . 1 . 2]" 1 690 1 55 LYS H 1 56 THR H . . 4.460 4.255 4.117 4.342 . 0 0 "[ . 1 . 2]" 1 691 1 55 LYS H 1 56 THR MG . . 5.050 4.442 4.240 4.556 . 0 0 "[ . 1 . 2]" 1 692 1 55 LYS HA 1 65 VAL HB . . 6.000 5.797 5.511 6.360 0.360 11 0 "[ . 1 . 2]" 1 693 1 55 LYS QB 1 58 LEU MD1 . . 3.390 1.845 1.823 1.879 . 0 0 "[ . 1 . 2]" 1 694 1 55 LYS QB 1 59 GLU H . . 3.540 3.158 3.066 3.247 . 0 0 "[ . 1 . 2]" 1 695 1 55 LYS QB 1 59 GLU HA . . 4.580 3.435 3.371 3.475 . 0 0 "[ . 1 . 2]" 1 696 1 55 LYS QB 1 65 VAL H . . 5.810 5.665 5.090 5.828 0.018 3 0 "[ . 1 . 2]" 1 697 1 55 LYS QB 1 65 VAL QG . . 3.540 3.080 1.763 3.512 . 0 0 "[ . 1 . 2]" 1 698 1 55 LYS HB2 1 56 THR H . . 5.260 3.827 3.756 3.953 . 0 0 "[ . 1 . 2]" 1 699 1 55 LYS HB2 1 58 LEU MD1 . . 3.910 2.032 1.914 2.461 . 0 0 "[ . 1 . 2]" 1 700 1 55 LYS HB2 1 65 VAL MG1 . . 5.820 4.424 2.745 4.845 . 0 0 "[ . 1 . 2]" 1 701 1 55 LYS HB2 1 65 VAL MG2 . . 5.820 4.375 2.665 5.005 . 0 0 "[ . 1 . 2]" 1 702 1 55 LYS HB3 1 56 THR H . . 5.260 4.288 4.096 4.395 . 0 0 "[ . 1 . 2]" 1 703 1 55 LYS HB3 1 58 LEU MD1 . . 3.910 2.184 1.879 2.406 . 0 0 "[ . 1 . 2]" 1 704 1 55 LYS HB3 1 65 VAL MG1 . . 5.820 4.306 1.859 4.854 . 0 0 "[ . 1 . 2]" 1 705 1 55 LYS HB3 1 65 VAL MG2 . . 5.820 3.418 2.521 4.443 . 0 0 "[ . 1 . 2]" 1 706 1 55 LYS QE 1 58 LEU MD1 . . 5.050 5.016 4.738 5.117 0.067 18 0 "[ . 1 . 2]" 1 707 1 56 THR H 1 56 THR HB . . 4.000 3.545 3.535 3.554 . 0 0 "[ . 1 . 2]" 1 708 1 56 THR H 1 56 THR MG . . 3.860 1.800 1.765 1.817 . 0 0 "[ . 1 . 2]" 1 709 1 56 THR H 1 57 PRO HD2 . . 4.250 1.542 1.521 1.561 . 0 0 "[ . 1 . 2]" 1 710 1 56 THR H 1 57 PRO HD3 . . 4.160 2.783 2.761 2.803 . 0 0 "[ . 1 . 2]" 1 711 1 56 THR H 1 57 PRO HG2 . . 5.570 3.743 3.726 3.760 . 0 0 "[ . 1 . 2]" 1 712 1 56 THR H 1 57 PRO HG3 . . 5.640 4.205 4.183 4.224 . 0 0 "[ . 1 . 2]" 1 713 1 56 THR H 1 59 GLU QB . . 5.760 3.929 3.888 3.965 . 0 0 "[ . 1 . 2]" 1 714 1 56 THR HA 1 59 GLU H . . 4.350 4.217 4.204 4.235 . 0 0 "[ . 1 . 2]" 1 715 1 56 THR HA 1 59 GLU HB2 . . 4.370 3.884 3.822 3.973 . 0 0 "[ . 1 . 2]" 1 716 1 56 THR HA 1 59 GLU QB . . 3.820 2.821 2.794 2.839 . 0 0 "[ . 1 . 2]" 1 717 1 56 THR HA 1 59 GLU HB3 . . 4.370 2.897 2.863 2.918 . 0 0 "[ . 1 . 2]" 1 718 1 56 THR HA 1 59 GLU QG . . 4.530 3.829 3.667 4.073 . 0 0 "[ . 1 . 2]" 1 719 1 56 THR HA 1 60 LYS QD . . 5.320 5.069 4.295 5.274 . 0 0 "[ . 1 . 2]" 1 720 1 56 THR HA 1 60 LYS QE . . 3.830 3.647 3.368 3.778 . 0 0 "[ . 1 . 2]" 1 721 1 56 THR HA 1 60 LYS QG . . 4.670 4.011 3.808 4.679 0.009 16 0 "[ . 1 . 2]" 1 722 1 56 THR HB 1 57 PRO HD2 . . 4.180 4.130 4.112 4.143 . 0 0 "[ . 1 . 2]" 1 723 1 56 THR HB 1 57 PRO HD3 . . 4.210 3.582 3.561 3.597 . 0 0 "[ . 1 . 2]" 1 724 1 56 THR MG 1 57 PRO HB3 . . 4.670 4.559 4.551 4.567 . 0 0 "[ . 1 . 2]" 1 725 1 56 THR MG 1 57 PRO HD2 . . 4.460 2.021 1.983 2.042 . 0 0 "[ . 1 . 2]" 1 726 1 56 THR MG 1 57 PRO HG3 . . 3.840 3.590 3.573 3.606 . 0 0 "[ . 1 . 2]" 1 727 1 56 THR MG 1 59 GLU H . . 5.270 5.061 5.030 5.073 . 0 0 "[ . 1 . 2]" 1 728 1 56 THR MG 1 59 GLU QG . . 5.990 5.708 5.543 5.966 . 0 0 "[ . 1 . 2]" 1 729 1 57 PRO HA 1 60 LYS H . . 4.460 3.708 3.611 3.779 . 0 0 "[ . 1 . 2]" 1 730 1 57 PRO HA 1 60 LYS QB . . 3.940 3.756 3.623 4.140 0.200 18 0 "[ . 1 . 2]" 1 731 1 57 PRO HB2 1 58 LEU H . . 3.900 2.351 2.320 2.372 . 0 0 "[ . 1 . 2]" 1 732 1 57 PRO HB3 1 58 LEU H . . 4.150 3.586 3.570 3.598 . 0 0 "[ . 1 . 2]" 1 733 1 57 PRO HB3 1 58 LEU HB3 . . 5.700 5.643 5.613 5.682 . 0 0 "[ . 1 . 2]" 1 734 1 57 PRO HD2 1 58 LEU H . . 4.840 3.126 3.109 3.152 . 0 0 "[ . 1 . 2]" 1 735 1 57 PRO HD3 1 58 LEU H . . 4.450 4.044 4.035 4.057 . 0 0 "[ . 1 . 2]" 1 736 1 57 PRO HD3 1 59 GLU H . . 6.000 4.978 4.965 4.990 . 0 0 "[ . 1 . 2]" 1 737 1 57 PRO HG2 1 58 LEU MD1 . . 3.880 1.988 1.927 2.072 . 0 0 "[ . 1 . 2]" 1 738 1 57 PRO HG2 1 59 GLU H . . 4.190 4.035 4.003 4.055 . 0 0 "[ . 1 . 2]" 1 739 1 57 PRO HG3 1 58 LEU H . . 5.090 3.301 3.294 3.307 . 0 0 "[ . 1 . 2]" 1 740 1 58 LEU H 1 58 LEU HB2 . . 3.720 3.568 3.560 3.576 . 0 0 "[ . 1 . 2]" 1 741 1 58 LEU H 1 58 LEU MD1 . . 3.870 1.716 1.687 1.742 . 0 0 "[ . 1 . 2]" 1 742 1 58 LEU H 1 58 LEU MD2 . . 4.490 3.673 3.610 3.733 . 0 0 "[ . 1 . 2]" 1 743 1 58 LEU H 1 58 LEU HG . . 3.760 3.727 3.696 3.760 . 0 0 "[ . 1 . 2]" 1 744 1 58 LEU H 1 59 GLU H . . 3.610 2.785 2.778 2.798 . 0 0 "[ . 1 . 2]" 1 745 1 58 LEU H 1 59 GLU HA . . 5.600 5.326 5.311 5.336 . 0 0 "[ . 1 . 2]" 1 746 1 58 LEU H 1 60 LYS H . . 5.300 4.812 4.652 4.937 . 0 0 "[ . 1 . 2]" 1 747 1 58 LEU H 1 63 ILE MD . . 5.590 4.624 4.460 4.708 . 0 0 "[ . 1 . 2]" 1 748 1 58 LEU HA 1 58 LEU MD1 . . 4.220 3.439 3.426 3.452 . 0 0 "[ . 1 . 2]" 1 749 1 58 LEU HA 1 61 ASP HB2 . . 4.810 2.163 1.978 2.538 . 0 0 "[ . 1 . 2]" 1 750 1 58 LEU HA 1 61 ASP QB . . 4.150 2.126 1.959 2.394 . 0 0 "[ . 1 . 2]" 1 751 1 58 LEU HA 1 61 ASP HB3 . . 4.810 3.218 2.815 3.429 . 0 0 "[ . 1 . 2]" 1 752 1 58 LEU HA 1 63 ILE MD . . 4.220 2.328 2.150 2.453 . 0 0 "[ . 1 . 2]" 1 753 1 58 LEU HA 1 63 ILE MG . . 5.270 4.377 4.257 4.569 . 0 0 "[ . 1 . 2]" 1 754 1 58 LEU HB2 1 59 GLU H . . 5.160 4.146 4.111 4.171 . 0 0 "[ . 1 . 2]" 1 755 1 58 LEU HB2 1 61 ASP H . . 6.000 5.237 5.036 5.406 . 0 0 "[ . 1 . 2]" 1 756 1 58 LEU HB2 1 63 ILE H . . 4.520 4.433 4.155 4.578 0.058 15 0 "[ . 1 . 2]" 1 757 1 58 LEU HB2 1 63 ILE HB . . 4.940 2.493 2.320 2.652 . 0 0 "[ . 1 . 2]" 1 758 1 58 LEU HB2 1 63 ILE MD . . 5.270 2.739 2.577 2.952 . 0 0 "[ . 1 . 2]" 1 759 1 58 LEU HB2 1 63 ILE MG . . 5.170 3.047 2.894 3.174 . 0 0 "[ . 1 . 2]" 1 760 1 58 LEU HB3 1 59 GLU H . . 4.460 4.082 4.043 4.103 . 0 0 "[ . 1 . 2]" 1 761 1 58 LEU HB3 1 61 ASP QB . . 5.610 4.397 4.231 4.552 . 0 0 "[ . 1 . 2]" 1 762 1 58 LEU HB3 1 63 ILE MD . . 5.040 3.482 3.310 3.624 . 0 0 "[ . 1 . 2]" 1 763 1 58 LEU HB3 1 63 ILE MG . . 5.720 4.311 4.213 4.463 . 0 0 "[ . 1 . 2]" 1 764 1 58 LEU MD1 1 59 GLU H . . 4.350 1.827 1.781 1.868 . 0 0 "[ . 1 . 2]" 1 765 1 58 LEU MD1 1 59 GLU QB . . 4.180 2.854 2.775 2.938 . 0 0 "[ . 1 . 2]" 1 766 1 58 LEU MD1 1 59 GLU QG . . 4.820 4.614 4.534 4.730 . 0 0 "[ . 1 . 2]" 1 767 1 58 LEU MD1 1 60 LYS H . . 4.780 4.260 4.202 4.346 . 0 0 "[ . 1 . 2]" 1 768 1 58 LEU MD1 1 61 ASP QB . . 5.020 4.711 4.630 4.797 . 0 0 "[ . 1 . 2]" 1 769 1 58 LEU MD2 1 59 GLU H . . 4.430 2.497 2.420 2.574 . 0 0 "[ . 1 . 2]" 1 770 1 58 LEU MD2 1 61 ASP H . . 4.680 4.567 4.486 4.672 . 0 0 "[ . 1 . 2]" 1 771 1 58 LEU MD2 1 61 ASP QB . . 5.810 4.361 4.217 4.490 . 0 0 "[ . 1 . 2]" 1 772 1 58 LEU HG 1 59 GLU H . . 4.580 4.350 4.325 4.388 . 0 0 "[ . 1 . 2]" 1 773 1 58 LEU HG 1 63 ILE MD . . 5.000 4.858 4.653 5.013 0.013 8 0 "[ . 1 . 2]" 1 774 1 59 GLU H 1 59 GLU QB . . 3.500 2.184 2.066 2.206 . 0 0 "[ . 1 . 2]" 1 775 1 59 GLU H 1 59 GLU QG . . 3.880 3.874 3.613 3.924 0.044 12 0 "[ . 1 . 2]" 1 776 1 59 GLU H 1 60 LYS H . . 4.070 2.690 2.619 2.733 . 0 0 "[ . 1 . 2]" 1 777 1 59 GLU H 1 60 LYS QG . . 4.750 4.211 4.091 4.425 . 0 0 "[ . 1 . 2]" 1 778 1 59 GLU H 1 63 ILE MG . . 6.000 6.156 6.023 6.284 0.284 18 0 "[ . 1 . 2]" 1 779 1 59 GLU H 1 65 VAL QG . . 5.920 5.772 4.361 6.135 0.215 18 0 "[ . 1 . 2]" 1 780 1 59 GLU HA 1 59 GLU QG . . 3.790 2.972 2.591 3.166 . 0 0 "[ . 1 . 2]" 1 781 1 59 GLU HA 1 61 ASP H . . 4.260 4.047 4.007 4.174 . 0 0 "[ . 1 . 2]" 1 782 1 59 GLU HA 1 62 GLY H . . 4.510 4.099 3.938 4.256 . 0 0 "[ . 1 . 2]" 1 783 1 59 GLU HA 1 63 ILE H . . 4.170 3.923 3.749 4.170 . 0 0 "[ . 1 . 2]" 1 784 1 59 GLU QB 1 61 ASP H . . 5.810 4.340 4.234 4.594 . 0 0 "[ . 1 . 2]" 1 785 1 59 GLU HB2 1 60 LYS H . . 4.190 3.854 3.770 4.012 . 0 0 "[ . 1 . 2]" 1 786 1 59 GLU HB3 1 60 LYS H . . 4.190 2.461 2.323 2.845 . 0 0 "[ . 1 . 2]" 1 787 1 59 GLU QG 1 60 LYS H . . 3.940 2.854 2.446 3.140 . 0 0 "[ . 1 . 2]" 1 788 1 59 GLU QG 1 60 LYS HA . . 4.580 3.162 2.990 3.298 . 0 0 "[ . 1 . 2]" 1 789 1 59 GLU QG 1 60 LYS QG . . 4.750 3.011 1.886 3.284 . 0 0 "[ . 1 . 2]" 1 790 1 60 LYS H 1 60 LYS QB . . 3.280 2.570 2.530 2.685 . 0 0 "[ . 1 . 2]" 1 791 1 60 LYS H 1 60 LYS QD . . 3.860 2.897 2.144 3.116 . 0 0 "[ . 1 . 2]" 1 792 1 60 LYS H 1 60 LYS QE . . 5.120 3.772 3.658 3.874 . 0 0 "[ . 1 . 2]" 1 793 1 60 LYS H 1 60 LYS QG . . 3.770 2.073 2.008 2.192 . 0 0 "[ . 1 . 2]" 1 794 1 60 LYS H 1 61 ASP H . . 3.780 2.511 2.403 2.600 . 0 0 "[ . 1 . 2]" 1 795 1 60 LYS H 1 61 ASP HA . . 5.260 5.088 4.983 5.179 . 0 0 "[ . 1 . 2]" 1 796 1 60 LYS H 1 62 GLY H . . 4.680 4.156 4.065 4.212 . 0 0 "[ . 1 . 2]" 1 797 1 60 LYS H 1 62 GLY HA2 . . 6.000 6.142 6.017 6.234 0.234 20 0 "[ . 1 . 2]" 1 798 1 60 LYS HA 1 60 LYS QD . . 3.990 2.238 2.012 3.990 0.000 16 0 "[ . 1 . 2]" 1 799 1 60 LYS HA 1 60 LYS QE . . 5.380 4.119 3.948 4.956 . 0 0 "[ . 1 . 2]" 1 800 1 60 LYS HA 1 60 LYS HG2 . . 4.030 3.310 3.286 3.450 . 0 0 "[ . 1 . 2]" 1 801 1 60 LYS HA 1 60 LYS HG3 . . 4.030 3.672 2.694 3.825 . 0 0 "[ . 1 . 2]" 1 802 1 60 LYS HA 1 61 ASP H . . 3.550 3.412 3.381 3.452 . 0 0 "[ . 1 . 2]" 1 803 1 60 LYS HA 1 62 GLY H . . 3.710 3.369 3.318 3.427 . 0 0 "[ . 1 . 2]" 1 804 1 60 LYS QB 1 60 LYS QD . . 3.260 2.376 2.047 2.432 . 0 0 "[ . 1 . 2]" 1 805 1 60 LYS QB 1 60 LYS QE . . 3.830 3.710 3.627 3.770 . 0 0 "[ . 1 . 2]" 1 806 1 60 LYS QB 1 61 ASP H . . 3.540 3.060 2.966 3.151 . 0 0 "[ . 1 . 2]" 1 807 1 60 LYS QB 1 62 GLY H . . 4.670 4.402 4.355 4.420 . 0 0 "[ . 1 . 2]" 1 808 1 60 LYS QD 1 60 LYS QG . . 2.290 2.091 2.082 2.092 . 0 0 "[ . 1 . 2]" 1 809 1 60 LYS QD 1 61 ASP H . . 4.730 4.514 3.674 4.637 . 0 0 "[ . 1 . 2]" 1 810 1 60 LYS QE 1 60 LYS HG2 . . 3.540 2.292 2.236 2.520 . 0 0 "[ . 1 . 2]" 1 811 1 60 LYS QE 1 60 LYS QG . . 2.920 2.126 2.101 2.197 . 0 0 "[ . 1 . 2]" 1 812 1 60 LYS QE 1 60 LYS HG3 . . 3.540 2.525 2.420 2.608 . 0 0 "[ . 1 . 2]" 1 813 1 60 LYS QG 1 61 ASP H . . 4.260 4.094 4.054 4.151 . 0 0 "[ . 1 . 2]" 1 814 1 61 ASP H 1 61 ASP HB2 . . 3.410 2.109 2.094 2.162 . 0 0 "[ . 1 . 2]" 1 815 1 61 ASP H 1 61 ASP QB . . 2.920 2.086 2.073 2.120 . 0 0 "[ . 1 . 2]" 1 816 1 61 ASP H 1 61 ASP HB3 . . 3.410 3.316 3.055 3.381 . 0 0 "[ . 1 . 2]" 1 817 1 61 ASP H 1 62 GLY H . . 3.320 2.565 2.541 2.607 . 0 0 "[ . 1 . 2]" 1 818 1 61 ASP H 1 62 GLY HA2 . . 4.930 4.844 4.809 4.874 . 0 0 "[ . 1 . 2]" 1 819 1 61 ASP H 1 62 GLY HA3 . . 5.410 5.197 5.174 5.228 . 0 0 "[ . 1 . 2]" 1 820 1 61 ASP H 1 63 ILE H . . 4.090 3.765 3.734 3.815 . 0 0 "[ . 1 . 2]" 1 821 1 61 ASP H 1 63 ILE MD . . 4.590 4.236 4.111 4.407 . 0 0 "[ . 1 . 2]" 1 822 1 61 ASP H 1 63 ILE HG13 . . 5.190 4.988 4.875 5.107 . 0 0 "[ . 1 . 2]" 1 823 1 61 ASP HA 1 63 ILE H . . 5.070 4.697 4.545 4.791 . 0 0 "[ . 1 . 2]" 1 824 1 61 ASP QB 1 63 ILE H . . 4.060 3.174 3.003 3.306 . 0 0 "[ . 1 . 2]" 1 825 1 61 ASP QB 1 63 ILE HB . . 5.810 3.404 3.257 3.532 . 0 0 "[ . 1 . 2]" 1 826 1 61 ASP QB 1 63 ILE HG13 . . 5.130 2.402 2.176 2.524 . 0 0 "[ . 1 . 2]" 1 827 1 61 ASP QB 1 63 ILE MG . . 5.290 4.337 4.266 4.424 . 0 0 "[ . 1 . 2]" 1 828 1 61 ASP HB2 1 62 GLY H . . 4.350 3.747 3.644 3.964 . 0 0 "[ . 1 . 2]" 1 829 1 61 ASP HB2 1 63 ILE H . . 4.710 3.809 3.602 4.162 . 0 0 "[ . 1 . 2]" 1 830 1 61 ASP HB2 1 63 ILE MD . . 4.250 2.640 2.369 3.047 . 0 0 "[ . 1 . 2]" 1 831 1 61 ASP HB3 1 62 GLY H . . 4.350 3.814 3.584 3.874 . 0 0 "[ . 1 . 2]" 1 832 1 61 ASP HB3 1 63 ILE H . . 4.710 3.411 3.094 3.611 . 0 0 "[ . 1 . 2]" 1 833 1 61 ASP HB3 1 63 ILE MD . . 4.250 1.987 1.921 2.123 . 0 0 "[ . 1 . 2]" 1 834 1 62 GLY H 1 63 ILE H . . 3.490 2.550 2.471 2.608 . 0 0 "[ . 1 . 2]" 1 835 1 62 GLY H 1 63 ILE HB . . 4.890 4.788 4.735 4.843 . 0 0 "[ . 1 . 2]" 1 836 1 62 GLY HA2 1 63 ILE MG . . 5.960 5.889 5.864 5.911 . 0 0 "[ . 1 . 2]" 1 837 1 63 ILE H 1 63 ILE HB . . 3.320 2.483 2.435 2.537 . 0 0 "[ . 1 . 2]" 1 838 1 63 ILE H 1 63 ILE MD . . 3.920 3.481 3.360 3.610 . 0 0 "[ . 1 . 2]" 1 839 1 63 ILE H 1 63 ILE HG12 . . 4.260 4.060 3.961 4.107 . 0 0 "[ . 1 . 2]" 1 840 1 63 ILE H 1 63 ILE HG13 . . 3.910 2.706 2.585 2.773 . 0 0 "[ . 1 . 2]" 1 841 1 63 ILE H 1 63 ILE MG . . 3.930 3.776 3.754 3.805 . 0 0 "[ . 1 . 2]" 1 842 1 63 ILE H 1 64 THR H . . 4.580 4.483 4.457 4.514 . 0 0 "[ . 1 . 2]" 1 843 1 63 ILE HA 1 63 ILE MD . . 4.230 3.859 3.848 3.873 . 0 0 "[ . 1 . 2]" 1 844 1 63 ILE HA 1 64 THR H . . 3.220 2.164 2.150 2.182 . 0 0 "[ . 1 . 2]" 1 845 1 63 ILE HB 1 63 ILE MD . . 3.570 2.220 2.122 2.317 . 0 0 "[ . 1 . 2]" 1 846 1 63 ILE HB 1 64 THR H . . 4.640 4.165 4.120 4.209 . 0 0 "[ . 1 . 2]" 1 847 1 63 ILE MD 1 63 ILE MG . . 3.280 2.298 2.158 2.431 . 0 0 "[ . 1 . 2]" 1 848 1 63 ILE MD 1 64 THR H . . 5.140 5.155 5.094 5.210 0.070 15 0 "[ . 1 . 2]" 1 849 1 63 ILE HG12 1 64 THR H . . 4.500 4.355 4.274 4.425 . 0 0 "[ . 1 . 2]" 1 850 1 63 ILE HG13 1 63 ILE MG . . 3.380 3.159 3.143 3.170 . 0 0 "[ . 1 . 2]" 1 851 1 63 ILE HG13 1 64 THR H . . 5.000 4.739 4.684 4.800 . 0 0 "[ . 1 . 2]" 1 852 1 63 ILE MG 1 64 THR H . . 3.530 2.527 2.193 2.643 . 0 0 "[ . 1 . 2]" 1 853 1 63 ILE MG 1 64 THR HB . . 5.320 3.700 3.520 3.819 . 0 0 "[ . 1 . 2]" 1 854 1 63 ILE MG 1 65 VAL H . . 5.070 4.504 4.396 4.660 . 0 0 "[ . 1 . 2]" 1 855 1 63 ILE MG 1 101 ALA H . . 6.000 4.811 4.715 4.867 . 0 0 "[ . 1 . 2]" 1 856 1 63 ILE MG 1 101 ALA MB . . 5.410 4.110 3.957 4.201 . 0 0 "[ . 1 . 2]" 1 857 1 64 THR H 1 64 THR HB . . 3.510 2.358 2.315 2.383 . 0 0 "[ . 1 . 2]" 1 858 1 64 THR H 1 64 THR MG . . 3.910 3.722 3.700 3.733 . 0 0 "[ . 1 . 2]" 1 859 1 64 THR H 1 65 VAL H . . 4.700 4.530 4.487 4.568 . 0 0 "[ . 1 . 2]" 1 860 1 64 THR HA 1 64 THR MG . . 3.460 2.522 2.497 2.553 . 0 0 "[ . 1 . 2]" 1 861 1 64 THR HA 1 65 VAL H . . 3.200 2.149 2.142 2.166 . 0 0 "[ . 1 . 2]" 1 862 1 64 THR HB 1 65 VAL H . . 4.880 4.331 4.240 4.376 . 0 0 "[ . 1 . 2]" 1 863 1 64 THR HB 1 66 VAL MG1 . . 6.000 5.932 5.777 6.152 0.152 14 0 "[ . 1 . 2]" 1 864 1 64 THR HB 1 66 VAL MG2 . . 4.970 3.556 3.472 3.729 . 0 0 "[ . 1 . 2]" 1 865 1 64 THR HB 1 87 LEU MD1 . . 4.860 4.225 3.979 4.402 . 0 0 "[ . 1 . 2]" 1 866 1 64 THR MG 1 65 VAL H . . 3.500 2.696 2.519 2.837 . 0 0 "[ . 1 . 2]" 1 867 1 64 THR MG 1 66 VAL MG1 . . 5.070 3.968 3.816 4.232 . 0 0 "[ . 1 . 2]" 1 868 1 65 VAL H 1 65 VAL HB . . 3.880 3.047 2.810 3.325 . 0 0 "[ . 1 . 2]" 1 869 1 65 VAL H 1 65 VAL MG1 . . 4.280 1.926 1.737 3.692 . 0 0 "[ . 1 . 2]" 1 870 1 65 VAL H 1 65 VAL QG . . 3.460 1.830 1.732 1.966 . 0 0 "[ . 1 . 2]" 1 871 1 65 VAL H 1 65 VAL MG2 . . 4.280 3.551 1.875 3.757 . 0 0 "[ . 1 . 2]" 1 872 1 65 VAL H 1 66 VAL H . . 4.710 4.355 4.306 4.423 . 0 0 "[ . 1 . 2]" 1 873 1 65 VAL H 1 66 VAL MG2 . . 5.020 4.408 4.346 4.484 . 0 0 "[ . 1 . 2]" 1 874 1 65 VAL HA 1 66 VAL HA . . 5.410 4.408 4.396 4.419 . 0 0 "[ . 1 . 2]" 1 875 1 65 VAL HA 1 66 VAL HB . . 5.200 4.826 4.745 4.899 . 0 0 "[ . 1 . 2]" 1 876 1 65 VAL HA 1 66 VAL MG1 . . 5.680 5.484 5.467 5.503 . 0 0 "[ . 1 . 2]" 1 877 1 65 VAL HA 1 66 VAL MG2 . . 4.880 3.579 3.469 3.658 . 0 0 "[ . 1 . 2]" 1 878 1 65 VAL HA 1 67 ASP H . . 5.290 5.037 4.930 5.156 . 0 0 "[ . 1 . 2]" 1 879 1 65 VAL HB 1 66 VAL H . . 5.350 4.186 3.900 4.332 . 0 0 "[ . 1 . 2]" 1 880 1 65 VAL QG 1 66 VAL H . . 3.780 2.889 2.712 3.010 . 0 0 "[ . 1 . 2]" 1 881 1 65 VAL MG1 1 66 VAL H . . 4.550 4.260 3.049 4.423 . 0 0 "[ . 1 . 2]" 1 882 1 65 VAL MG2 1 66 VAL H . . 4.550 3.004 2.742 4.425 . 0 0 "[ . 1 . 2]" 1 883 1 66 VAL H 1 66 VAL HB . . 3.990 2.693 2.645 2.764 . 0 0 "[ . 1 . 2]" 1 884 1 66 VAL H 1 66 VAL MG2 . . 4.060 2.272 2.162 2.511 . 0 0 "[ . 1 . 2]" 1 885 1 66 VAL H 1 67 ASP H . . 4.760 3.949 3.920 3.999 . 0 0 "[ . 1 . 2]" 1 886 1 66 VAL HA 1 67 ASP H . . 3.080 2.269 2.244 2.296 . 0 0 "[ . 1 . 2]" 1 887 1 66 VAL HA 1 67 ASP HA . . 4.820 4.427 4.415 4.449 . 0 0 "[ . 1 . 2]" 1 888 1 66 VAL HB 1 67 ASP H . . 4.560 4.399 4.362 4.420 . 0 0 "[ . 1 . 2]" 1 889 1 66 VAL HB 1 68 TRP HE1 . . 5.320 4.792 4.538 5.835 0.515 13 1 "[ . 1 + . 2]" 1 890 1 66 VAL MG1 1 67 ASP H . . 3.880 3.459 3.379 3.518 . 0 0 "[ . 1 . 2]" 1 891 1 66 VAL MG1 1 67 ASP HB3 . . 5.720 5.541 5.499 5.602 . 0 0 "[ . 1 . 2]" 1 892 1 66 VAL MG1 1 68 TRP H . . 5.440 4.140 3.851 4.347 . 0 0 "[ . 1 . 2]" 1 893 1 66 VAL MG1 1 68 TRP HB2 . . 5.380 4.034 3.715 4.233 . 0 0 "[ . 1 . 2]" 1 894 1 66 VAL MG1 1 68 TRP HE1 . . 4.270 2.024 1.819 2.934 . 0 0 "[ . 1 . 2]" 1 895 1 66 VAL MG1 1 68 TRP HZ2 . . 4.440 3.785 3.301 4.400 . 0 0 "[ . 1 . 2]" 1 896 1 66 VAL MG1 1 87 LEU MD1 . . 4.500 2.012 1.848 2.467 . 0 0 "[ . 1 . 2]" 1 897 1 66 VAL MG1 1 87 LEU MD2 . . 3.920 1.730 1.670 1.752 . 0 0 "[ . 1 . 2]" 1 898 1 66 VAL MG1 1 101 ALA H . . 6.000 5.683 5.252 5.952 . 0 0 "[ . 1 . 2]" 1 899 1 66 VAL MG2 1 67 ASP H . . 4.390 4.352 4.306 4.381 . 0 0 "[ . 1 . 2]" 1 900 1 66 VAL MG2 1 68 TRP HE1 . . 4.790 4.000 3.791 4.880 0.090 13 0 "[ . 1 . 2]" 1 901 1 66 VAL MG2 1 68 TRP HZ2 . . 6.000 4.998 4.748 5.407 . 0 0 "[ . 1 . 2]" 1 902 1 66 VAL MG2 1 87 LEU H . . 6.000 6.108 5.896 6.206 0.206 12 0 "[ . 1 . 2]" 1 903 1 66 VAL MG2 1 87 LEU MD1 . . 3.750 1.690 1.665 1.705 . 0 0 "[ . 1 . 2]" 1 904 1 66 VAL MG2 1 100 VAL HA . . 5.200 4.387 4.071 4.821 . 0 0 "[ . 1 . 2]" 1 905 1 66 VAL MG2 1 101 ALA H . . 6.000 4.104 3.737 4.367 . 0 0 "[ . 1 . 2]" 1 906 1 67 ASP H 1 67 ASP HB3 . . 3.450 3.191 2.990 3.278 . 0 0 "[ . 1 . 2]" 1 907 1 67 ASP H 1 68 TRP H . . 4.550 4.276 4.206 4.352 . 0 0 "[ . 1 . 2]" 1 908 1 67 ASP H 1 68 TRP HE1 . . 5.170 4.490 4.079 4.712 . 0 0 "[ . 1 . 2]" 1 909 1 67 ASP H 1 87 LEU MD2 . . 6.000 5.608 5.359 5.698 . 0 0 "[ . 1 . 2]" 1 910 1 67 ASP HA 1 68 TRP H . . 3.360 2.145 2.138 2.158 . 0 0 "[ . 1 . 2]" 1 911 1 67 ASP HA 1 68 TRP HA . . 5.540 4.386 4.373 4.395 . 0 0 "[ . 1 . 2]" 1 912 1 67 ASP HA 1 68 TRP HB2 . . 4.960 4.704 4.508 4.811 . 0 0 "[ . 1 . 2]" 1 913 1 67 ASP HB2 1 68 TRP H . . 4.340 3.619 3.480 3.739 . 0 0 "[ . 1 . 2]" 1 914 1 67 ASP HB2 1 69 PRO HD2 . . 6.000 6.264 5.689 6.579 0.579 11 3 "[ -. * 1+ . 2]" 1 915 1 67 ASP HB2 1 69 PRO HD3 . . 6.000 5.213 4.398 5.755 . 0 0 "[ . 1 . 2]" 1 916 1 67 ASP HB3 1 68 TRP H . . 4.400 4.214 4.078 4.347 . 0 0 "[ . 1 . 2]" 1 917 1 67 ASP HB3 1 68 TRP HA . . 5.860 5.692 5.622 5.808 . 0 0 "[ . 1 . 2]" 1 918 1 68 TRP H 1 68 TRP HB3 . . 4.060 3.876 3.684 3.933 . 0 0 "[ . 1 . 2]" 1 919 1 68 TRP H 1 68 TRP HE1 . . 6.000 5.654 5.593 5.755 . 0 0 "[ . 1 . 2]" 1 920 1 68 TRP H 1 69 PRO HD2 . . 5.360 4.786 4.639 4.813 . 0 0 "[ . 1 . 2]" 1 921 1 68 TRP H 1 69 PRO QD . . 4.610 4.208 3.936 4.310 . 0 0 "[ . 1 . 2]" 1 922 1 68 TRP H 1 69 PRO HD3 . . 5.360 4.670 4.255 4.865 . 0 0 "[ . 1 . 2]" 1 923 1 68 TRP HA 1 68 TRP HE1 . . 6.000 5.617 4.612 5.830 . 0 0 "[ . 1 . 2]" 1 924 1 68 TRP HA 1 69 PRO QB . . 5.380 4.546 4.534 4.565 . 0 0 "[ . 1 . 2]" 1 925 1 68 TRP HA 1 69 PRO QG . . 4.960 3.878 3.774 3.995 . 0 0 "[ . 1 . 2]" 1 926 1 68 TRP HA 1 80 VAL QG . . 5.730 4.734 3.492 5.288 . 0 0 "[ . 1 . 2]" 1 927 1 68 TRP HB2 1 70 PHE H . . 4.020 3.274 2.689 3.903 . 0 0 "[ . 1 . 2]" 1 928 1 68 TRP HB2 1 70 PHE HE2 . . 5.310 4.437 1.947 5.543 0.233 2 0 "[ . 1 . 2]" 1 929 1 68 TRP HB2 1 114 LEU QD . . 5.920 4.837 4.187 5.610 . 0 0 "[ . 1 . 2]" 1 930 1 68 TRP HB3 1 70 PHE HE2 . . 5.670 4.416 3.150 6.021 0.351 11 0 "[ . 1 . 2]" 1 931 1 68 TRP HB3 1 80 VAL QG . . 4.390 3.447 2.336 3.906 . 0 0 "[ . 1 . 2]" 1 932 1 68 TRP HE1 1 87 LEU H . . 6.000 4.632 4.238 5.206 . 0 0 "[ . 1 . 2]" 1 933 1 69 PRO QB 1 70 PHE H . . 4.220 3.944 3.812 4.003 . 0 0 "[ . 1 . 2]" 1 934 1 69 PRO QB 1 74 ALA H . . 4.700 3.316 2.080 4.838 0.138 20 0 "[ . 1 . 2]" 1 935 1 69 PRO QB 1 74 ALA MB . . 3.820 3.128 1.981 3.860 0.040 19 0 "[ . 1 . 2]" 1 936 1 69 PRO QB 1 80 VAL QG . . 4.690 4.313 3.746 4.501 . 0 0 "[ . 1 . 2]" 1 937 1 69 PRO QG 1 70 PHE H . . 4.610 4.075 3.495 4.563 . 0 0 "[ . 1 . 2]" 1 938 1 69 PRO QG 1 74 ALA MB . . 4.150 2.668 1.932 3.560 . 0 0 "[ . 1 . 2]" 1 939 1 69 PRO QG 1 80 VAL H . . 6.000 6.022 5.460 6.226 0.226 3 0 "[ . 1 . 2]" 1 940 1 69 PRO QG 1 80 VAL HA . . 5.430 5.084 4.268 5.592 0.162 8 0 "[ . 1 . 2]" 1 941 1 69 PRO QG 1 80 VAL QG . . 4.210 2.967 2.352 3.288 . 0 0 "[ . 1 . 2]" 1 942 1 70 PHE H 1 114 LEU QD . . 5.460 4.972 4.491 5.352 . 0 0 "[ . 1 . 2]" 1 943 1 70 PHE QB 1 80 VAL QG . . 5.650 4.128 1.749 4.762 . 0 0 "[ . 1 . 2]" 1 944 1 70 PHE QB 1 114 LEU QD . . 5.100 2.689 1.868 3.503 . 0 0 "[ . 1 . 2]" 1 945 1 70 PHE QB 1 114 LEU HG . . 5.470 3.789 3.290 4.072 . 0 0 "[ . 1 . 2]" 1 946 1 70 PHE HB2 1 71 ASP H . . 5.510 3.585 2.851 4.515 . 0 0 "[ . 1 . 2]" 1 947 1 70 PHE HB3 1 71 ASP H . . 5.510 4.086 3.508 4.463 . 0 0 "[ . 1 . 2]" 1 948 1 70 PHE HE2 1 80 VAL QG . . 4.110 3.191 1.874 4.207 0.097 7 0 "[ . 1 . 2]" 1 949 1 71 ASP H 1 71 ASP QB . . 3.390 2.266 2.071 2.563 . 0 0 "[ . 1 . 2]" 1 950 1 73 GLY H 1 74 ALA H . . 5.260 2.971 1.813 4.509 . 0 0 "[ . 1 . 2]" 1 951 1 74 ALA H 1 74 ALA MB . . 3.580 2.806 2.206 2.919 . 0 0 "[ . 1 . 2]" 1 952 1 78 GLY QA 1 79 LYS H . . 3.370 2.729 2.596 2.912 . 0 0 "[ . 1 . 2]" 1 953 1 78 GLY QA 1 80 VAL H . . 4.310 3.672 3.233 4.599 0.289 1 0 "[ . 1 . 2]" 1 954 1 78 GLY QA 1 81 VAL MG1 . . 4.410 2.639 2.021 3.254 . 0 0 "[ . 1 . 2]" 1 955 1 78 GLY QA 1 82 GLU H . . 5.790 5.577 4.995 6.006 0.216 20 0 "[ . 1 . 2]" 1 956 1 79 LYS H 1 80 VAL QG . . 5.790 3.826 3.322 4.339 . 0 0 "[ . 1 . 2]" 1 957 1 79 LYS H 1 81 VAL H . . 4.550 4.020 3.615 4.353 . 0 0 "[ . 1 . 2]" 1 958 1 79 LYS HA 1 79 LYS QE . . 4.290 3.507 2.184 4.156 . 0 0 "[ . 1 . 2]" 1 959 1 79 LYS HA 1 79 LYS QG . . 3.770 2.699 2.151 3.183 . 0 0 "[ . 1 . 2]" 1 960 1 79 LYS HA 1 81 VAL H . . 4.650 3.902 3.715 4.109 . 0 0 "[ . 1 . 2]" 1 961 1 79 LYS HA 1 81 VAL MG1 . . 4.700 4.230 3.926 4.553 . 0 0 "[ . 1 . 2]" 1 962 1 79 LYS QB 1 80 VAL H . . 3.560 2.762 2.216 3.120 . 0 0 "[ . 1 . 2]" 1 963 1 79 LYS QB 1 80 VAL HA . . 4.910 4.028 3.664 4.452 . 0 0 "[ . 1 . 2]" 1 964 1 79 LYS QB 1 80 VAL QG . . 4.790 3.534 3.134 4.108 . 0 0 "[ . 1 . 2]" 1 965 1 79 LYS QB 1 82 GLU H . . 5.810 5.092 4.796 5.404 . 0 0 "[ . 1 . 2]" 1 966 1 79 LYS HB2 1 80 VAL H . . 4.400 3.799 3.037 4.309 . 0 0 "[ . 1 . 2]" 1 967 1 79 LYS HB3 1 80 VAL H . . 4.400 2.861 2.235 3.365 . 0 0 "[ . 1 . 2]" 1 968 1 79 LYS QG 1 80 VAL H . . 4.780 3.995 3.244 4.655 . 0 0 "[ . 1 . 2]" 1 969 1 79 LYS QG 1 80 VAL HA . . 5.300 4.240 3.353 5.312 0.012 17 0 "[ . 1 . 2]" 1 970 1 79 LYS QG 1 82 GLU H . . 5.610 4.598 3.725 5.267 . 0 0 "[ . 1 . 2]" 1 971 1 79 LYS QG 1 82 GLU QG . . 5.010 4.188 2.703 4.968 . 0 0 "[ . 1 . 2]" 1 972 1 80 VAL H 1 80 VAL HB . . 3.600 2.480 2.160 2.665 . 0 0 "[ . 1 . 2]" 1 973 1 80 VAL H 1 80 VAL QG . . 3.320 2.291 1.913 2.875 . 0 0 "[ . 1 . 2]" 1 974 1 80 VAL H 1 81 VAL H . . 3.710 2.740 2.454 2.834 . 0 0 "[ . 1 . 2]" 1 975 1 80 VAL H 1 81 VAL HA . . 5.410 5.281 5.039 5.375 . 0 0 "[ . 1 . 2]" 1 976 1 80 VAL H 1 81 VAL MG1 . . 4.880 3.868 3.534 4.020 . 0 0 "[ . 1 . 2]" 1 977 1 80 VAL H 1 81 VAL MG2 . . 5.620 4.203 4.077 4.307 . 0 0 "[ . 1 . 2]" 1 978 1 80 VAL H 1 82 GLU H . . 5.070 4.547 4.365 4.717 . 0 0 "[ . 1 . 2]" 1 979 1 80 VAL H 1 82 GLU QB . . 5.390 5.399 5.141 6.010 0.620 10 1 "[ . + . 2]" 1 980 1 80 VAL HA 1 81 VAL MG1 . . 5.060 4.949 4.901 5.004 . 0 0 "[ . 1 . 2]" 1 981 1 80 VAL HA 1 83 ASP H . . 4.040 3.368 3.249 3.454 . 0 0 "[ . 1 . 2]" 1 982 1 80 VAL HA 1 83 ASP HA . . 6.000 5.701 5.514 5.828 . 0 0 "[ . 1 . 2]" 1 983 1 80 VAL HA 1 83 ASP QB . . 4.730 3.277 3.066 3.481 . 0 0 "[ . 1 . 2]" 1 984 1 80 VAL HB 1 81 VAL H . . 4.060 2.873 2.633 3.110 . 0 0 "[ . 1 . 2]" 1 985 1 80 VAL HB 1 82 GLU H . . 5.480 5.273 5.131 5.466 . 0 0 "[ . 1 . 2]" 1 986 1 80 VAL QG 1 81 VAL H . . 4.000 3.248 2.847 3.439 . 0 0 "[ . 1 . 2]" 1 987 1 80 VAL QG 1 81 VAL HA . . 6.000 3.458 2.922 3.849 . 0 0 "[ . 1 . 2]" 1 988 1 80 VAL QG 1 83 ASP H . . 5.340 3.791 3.466 4.031 . 0 0 "[ . 1 . 2]" 1 989 1 80 VAL QG 1 84 TRP H . . 5.190 3.345 3.210 3.477 . 0 0 "[ . 1 . 2]" 1 990 1 80 VAL QG 1 84 TRP HE1 . . 4.770 4.349 3.780 4.863 0.093 10 0 "[ . 1 . 2]" 1 991 1 80 VAL QG 1 114 LEU MD1 . . 4.710 3.288 2.502 4.489 . 0 0 "[ . 1 . 2]" 1 992 1 80 VAL QG 1 114 LEU QD . . 3.890 2.848 2.478 3.265 . 0 0 "[ . 1 . 2]" 1 993 1 80 VAL QG 1 114 LEU MD2 . . 4.710 3.725 2.504 4.599 . 0 0 "[ . 1 . 2]" 1 994 1 81 VAL H 1 81 VAL MG1 . . 3.360 1.981 1.866 2.105 . 0 0 "[ . 1 . 2]" 1 995 1 81 VAL H 1 81 VAL MG2 . . 3.900 2.431 2.326 2.531 . 0 0 "[ . 1 . 2]" 1 996 1 81 VAL H 1 82 GLU H . . 3.930 2.898 2.854 2.981 . 0 0 "[ . 1 . 2]" 1 997 1 81 VAL H 1 82 GLU QB . . 5.000 4.666 4.546 4.989 . 0 0 "[ . 1 . 2]" 1 998 1 81 VAL H 1 82 GLU QG . . 6.000 5.110 4.289 5.506 . 0 0 "[ . 1 . 2]" 1 999 1 81 VAL H 1 83 ASP H . . 4.590 4.518 4.401 4.629 0.039 6 0 "[ . 1 . 2]" 1 1000 1 81 VAL H 1 84 TRP H . . 4.920 4.708 4.655 4.754 . 0 0 "[ . 1 . 2]" 1 1001 1 81 VAL H 1 84 TRP HB2 . . 4.580 4.489 4.372 4.554 . 0 0 "[ . 1 . 2]" 1 1002 1 81 VAL H 1 117 LEU MD2 . . 5.070 4.555 4.189 5.080 0.010 8 0 "[ . 1 . 2]" 1 1003 1 81 VAL HA 1 81 VAL MG2 . . 3.740 3.194 3.185 3.200 . 0 0 "[ . 1 . 2]" 1 1004 1 81 VAL HA 1 82 GLU QB . . 6.000 5.302 5.242 5.470 . 0 0 "[ . 1 . 2]" 1 1005 1 81 VAL HA 1 83 ASP H . . 5.000 4.511 4.339 4.686 . 0 0 "[ . 1 . 2]" 1 1006 1 81 VAL HA 1 84 TRP H . . 4.250 3.298 3.174 3.384 . 0 0 "[ . 1 . 2]" 1 1007 1 81 VAL HA 1 84 TRP HB2 . . 4.490 2.232 2.107 2.415 . 0 0 "[ . 1 . 2]" 1 1008 1 81 VAL HA 1 84 TRP HB3 . . 4.430 3.198 3.072 3.321 . 0 0 "[ . 1 . 2]" 1 1009 1 81 VAL HA 1 84 TRP HE3 . . 6.000 6.167 6.066 6.282 0.282 19 0 "[ . 1 . 2]" 1 1010 1 81 VAL HA 1 85 LEU H . . 4.580 4.059 3.849 4.362 . 0 0 "[ . 1 . 2]" 1 1011 1 81 VAL HA 1 114 LEU QD . . 5.590 5.350 4.429 5.688 0.098 17 0 "[ . 1 . 2]" 1 1012 1 81 VAL HA 1 117 LEU HB2 . . 6.000 5.142 4.889 5.495 . 0 0 "[ . 1 . 2]" 1 1013 1 81 VAL HA 1 117 LEU MD1 . . 3.880 2.235 1.956 2.672 . 0 0 "[ . 1 . 2]" 1 1014 1 81 VAL HA 1 117 LEU HG . . 5.300 2.894 2.623 3.334 . 0 0 "[ . 1 . 2]" 1 1015 1 81 VAL HB 1 82 GLU H . . 4.100 3.772 3.640 3.889 . 0 0 "[ . 1 . 2]" 1 1016 1 81 VAL HB 1 84 TRP HB2 . . 4.840 4.299 4.050 4.587 . 0 0 "[ . 1 . 2]" 1 1017 1 81 VAL HB 1 117 LEU MD2 . . 4.830 3.053 2.433 3.469 . 0 0 "[ . 1 . 2]" 1 1018 1 81 VAL HB 1 117 LEU HG . . 5.580 3.676 3.196 4.075 . 0 0 "[ . 1 . 2]" 1 1019 1 81 VAL MG1 1 82 GLU H . . 4.160 3.706 3.629 3.774 . 0 0 "[ . 1 . 2]" 1 1020 1 81 VAL MG1 1 82 GLU QG . . 5.240 5.163 4.694 5.429 0.189 4 0 "[ . 1 . 2]" 1 1021 1 81 VAL MG2 1 82 GLU H . . 4.050 1.865 1.838 1.991 . 0 0 "[ . 1 . 2]" 1 1022 1 81 VAL MG2 1 82 GLU QB . . 3.900 3.237 2.925 3.500 . 0 0 "[ . 1 . 2]" 1 1023 1 81 VAL MG2 1 82 GLU QG . . 4.840 3.007 2.534 3.958 . 0 0 "[ . 1 . 2]" 1 1024 1 81 VAL MG2 1 83 ASP H . . 4.990 4.259 4.188 4.335 . 0 0 "[ . 1 . 2]" 1 1025 1 81 VAL MG2 1 84 TRP H . . 4.930 4.706 4.643 4.768 . 0 0 "[ . 1 . 2]" 1 1026 1 81 VAL MG2 1 84 TRP HB2 . . 4.770 4.758 4.608 4.908 0.138 17 0 "[ . 1 . 2]" 1 1027 1 81 VAL MG2 1 84 TRP HB3 . . 5.160 5.223 5.092 5.364 0.204 19 0 "[ . 1 . 2]" 1 1028 1 81 VAL MG2 1 85 LEU H . . 4.780 4.924 4.791 5.093 0.313 19 0 "[ . 1 . 2]" 1 1029 1 81 VAL MG2 1 117 LEU MD1 . . 3.610 3.706 3.587 3.803 0.193 7 0 "[ . 1 . 2]" 1 1030 1 81 VAL MG2 1 117 LEU MD2 . . 4.370 3.908 3.581 4.290 . 0 0 "[ . 1 . 2]" 1 1031 1 81 VAL MG2 1 121 GLU QG . . 5.230 5.100 4.853 5.514 0.284 13 0 "[ . 1 . 2]" 1 1032 1 82 GLU H 1 82 GLU QB . . 3.260 2.193 2.100 2.376 . 0 0 "[ . 1 . 2]" 1 1033 1 82 GLU H 1 82 GLU QG . . 3.520 2.825 2.378 3.039 . 0 0 "[ . 1 . 2]" 1 1034 1 82 GLU H 1 83 ASP H . . 3.780 2.853 2.785 2.922 . 0 0 "[ . 1 . 2]" 1 1035 1 82 GLU H 1 83 ASP QB . . 5.810 4.850 4.542 5.036 . 0 0 "[ . 1 . 2]" 1 1036 1 82 GLU H 1 84 TRP H . . 4.530 4.004 3.935 4.093 . 0 0 "[ . 1 . 2]" 1 1037 1 82 GLU H 1 84 TRP HB2 . . 5.080 4.792 4.647 4.885 . 0 0 "[ . 1 . 2]" 1 1038 1 82 GLU HA 1 82 GLU QG . . 3.920 2.426 2.060 3.420 . 0 0 "[ . 1 . 2]" 1 1039 1 82 GLU HA 1 84 TRP H . . 5.100 4.340 4.229 4.468 . 0 0 "[ . 1 . 2]" 1 1040 1 82 GLU HA 1 85 LEU H . . 4.430 4.203 4.101 4.276 . 0 0 "[ . 1 . 2]" 1 1041 1 82 GLU QB 1 83 ASP H . . 3.220 2.683 2.435 3.370 0.150 10 0 "[ . 1 . 2]" 1 1042 1 82 GLU QB 1 84 TRP H . . 4.980 4.567 4.393 5.031 0.051 4 0 "[ . 1 . 2]" 1 1043 1 82 GLU QG 1 83 ASP H . . 4.510 3.802 1.766 4.371 . 0 0 "[ . 1 . 2]" 1 1044 1 83 ASP H 1 83 ASP QB . . 3.390 2.417 2.068 2.609 . 0 0 "[ . 1 . 2]" 1 1045 1 83 ASP H 1 84 TRP H . . 3.830 2.560 2.468 2.610 . 0 0 "[ . 1 . 2]" 1 1046 1 83 ASP H 1 84 TRP HB2 . . 4.660 4.384 4.301 4.430 . 0 0 "[ . 1 . 2]" 1 1047 1 83 ASP H 1 85 LEU H . . 5.170 4.863 4.794 4.936 . 0 0 "[ . 1 . 2]" 1 1048 1 83 ASP HA 1 85 LEU H . . 5.190 5.013 4.836 5.114 . 0 0 "[ . 1 . 2]" 1 1049 1 83 ASP HA 1 86 SER HB2 . . 4.330 2.558 1.994 3.584 . 0 0 "[ . 1 . 2]" 1 1050 1 83 ASP HA 1 86 SER QB . . 3.520 2.194 1.977 2.386 . 0 0 "[ . 1 . 2]" 1 1051 1 83 ASP HA 1 86 SER HB3 . . 4.330 3.113 2.259 3.702 . 0 0 "[ . 1 . 2]" 1 1052 1 83 ASP QB 1 84 TRP H . . 4.390 2.790 2.675 3.302 . 0 0 "[ . 1 . 2]" 1 1053 1 83 ASP QB 1 86 SER QB . . 5.610 3.957 3.694 4.249 . 0 0 "[ . 1 . 2]" 1 1054 1 83 ASP QB 1 87 LEU H . . 4.750 4.377 3.970 4.736 . 0 0 "[ . 1 . 2]" 1 1055 1 83 ASP QB 1 87 LEU QB . . 5.260 3.992 3.608 4.292 . 0 0 "[ . 1 . 2]" 1 1056 1 84 TRP H 1 84 TRP HB2 . . 3.680 2.094 2.075 2.122 . 0 0 "[ . 1 . 2]" 1 1057 1 84 TRP H 1 84 TRP HB3 . . 3.660 3.133 3.057 3.207 . 0 0 "[ . 1 . 2]" 1 1058 1 84 TRP H 1 84 TRP HE3 . . 5.260 5.022 4.840 5.100 . 0 0 "[ . 1 . 2]" 1 1059 1 84 TRP H 1 85 LEU H . . 4.050 3.055 3.008 3.120 . 0 0 "[ . 1 . 2]" 1 1060 1 84 TRP H 1 85 LEU QD . . 4.880 3.786 3.593 4.594 . 0 0 "[ . 1 . 2]" 1 1061 1 84 TRP H 1 86 SER H . . 5.020 4.095 3.957 4.265 . 0 0 "[ . 1 . 2]" 1 1062 1 84 TRP H 1 86 SER QB . . 5.620 4.474 4.339 4.637 . 0 0 "[ . 1 . 2]" 1 1063 1 84 TRP H 1 87 LEU H . . 5.120 4.736 4.546 4.959 . 0 0 "[ . 1 . 2]" 1 1064 1 84 TRP H 1 88 VAL QG . . 5.760 5.695 5.523 5.975 0.215 13 0 "[ . 1 . 2]" 1 1065 1 84 TRP H 1 117 LEU MD1 . . 5.180 4.380 4.196 4.553 . 0 0 "[ . 1 . 2]" 1 1066 1 84 TRP HA 1 87 LEU H . . 4.390 4.045 3.877 4.204 . 0 0 "[ . 1 . 2]" 1 1067 1 84 TRP HA 1 88 VAL H . . 5.070 4.253 4.088 4.475 . 0 0 "[ . 1 . 2]" 1 1068 1 84 TRP HA 1 88 VAL QG . . 5.920 4.237 3.726 4.715 . 0 0 "[ . 1 . 2]" 1 1069 1 84 TRP HB2 1 85 LEU H . . 5.290 3.062 2.977 3.139 . 0 0 "[ . 1 . 2]" 1 1070 1 84 TRP HB2 1 117 LEU MD1 . . 5.920 2.838 2.596 3.032 . 0 0 "[ . 1 . 2]" 1 1071 1 84 TRP HB3 1 85 LEU H . . 4.180 2.089 2.040 2.158 . 0 0 "[ . 1 . 2]" 1 1072 1 84 TRP HB3 1 85 LEU QD . . 5.140 2.023 1.935 2.178 . 0 0 "[ . 1 . 2]" 1 1073 1 84 TRP HB3 1 114 LEU QD . . 5.880 5.397 5.142 6.021 0.141 4 0 "[ . 1 . 2]" 1 1074 1 84 TRP HB3 1 117 LEU MD1 . . 5.750 2.412 2.223 2.556 . 0 0 "[ . 1 . 2]" 1 1075 1 84 TRP HB3 1 117 LEU MD2 . . 5.500 5.016 4.762 5.168 . 0 0 "[ . 1 . 2]" 1 1076 1 84 TRP HB3 1 158 LEU MD2 . . 5.260 4.920 4.715 5.212 . 0 0 "[ . 1 . 2]" 1 1077 1 84 TRP HE1 1 113 VAL QG . . 4.960 4.628 4.370 5.013 0.053 8 0 "[ . 1 . 2]" 1 1078 1 84 TRP HE1 1 114 LEU HA . . 4.080 2.056 1.878 2.554 . 0 0 "[ . 1 . 2]" 1 1079 1 84 TRP HE1 1 114 LEU HB2 . . 4.430 3.677 3.501 3.986 . 0 0 "[ . 1 . 2]" 1 1080 1 84 TRP HE1 1 114 LEU QB . . 3.770 2.241 1.921 2.719 . 0 0 "[ . 1 . 2]" 1 1081 1 84 TRP HE1 1 114 LEU HB3 . . 4.430 2.262 1.930 2.768 . 0 0 "[ . 1 . 2]" 1 1082 1 84 TRP HE1 1 114 LEU MD1 . . 4.330 2.421 1.850 3.650 . 0 0 "[ . 1 . 2]" 1 1083 1 84 TRP HE1 1 114 LEU MD2 . . 4.330 3.159 1.896 4.206 . 0 0 "[ . 1 . 2]" 1 1084 1 84 TRP HE1 1 115 VAL H . . 4.860 4.278 4.166 4.399 . 0 0 "[ . 1 . 2]" 1 1085 1 84 TRP HE1 1 115 VAL HA . . 4.730 4.499 4.350 4.623 . 0 0 "[ . 1 . 2]" 1 1086 1 84 TRP HE1 1 115 VAL QG . . 5.310 4.882 4.631 5.303 . 0 0 "[ . 1 . 2]" 1 1087 1 84 TRP HE1 1 117 LEU H . . 4.550 4.286 4.053 4.562 0.012 8 0 "[ . 1 . 2]" 1 1088 1 84 TRP HE1 1 117 LEU HB2 . . 4.230 4.001 3.860 4.231 0.001 8 0 "[ . 1 . 2]" 1 1089 1 84 TRP HE1 1 117 LEU HB3 . . 4.350 3.114 2.878 3.259 . 0 0 "[ . 1 . 2]" 1 1090 1 84 TRP HE1 1 117 LEU MD1 . . 4.480 4.212 3.864 4.425 . 0 0 "[ . 1 . 2]" 1 1091 1 84 TRP HE1 1 118 ALA H . . 4.100 3.928 3.658 4.100 0.000 10 0 "[ . 1 . 2]" 1 1092 1 84 TRP HE1 1 118 ALA MB . . 4.180 3.994 3.854 4.163 . 0 0 "[ . 1 . 2]" 1 1093 1 84 TRP HE3 1 85 LEU H . . 4.360 3.871 3.662 4.136 . 0 0 "[ . 1 . 2]" 1 1094 1 84 TRP HE3 1 85 LEU QD . . 4.180 3.184 2.903 3.689 . 0 0 "[ . 1 . 2]" 1 1095 1 84 TRP HE3 1 118 ALA H . . 5.490 5.310 5.150 5.562 0.072 6 0 "[ . 1 . 2]" 1 1096 1 84 TRP HE3 1 118 ALA MB . . 4.960 2.940 2.769 3.213 . 0 0 "[ . 1 . 2]" 1 1097 1 85 LEU H 1 85 LEU QB . . 3.570 2.489 2.262 2.559 . 0 0 "[ . 1 . 2]" 1 1098 1 85 LEU H 1 85 LEU QD . . 3.790 1.945 1.803 2.287 . 0 0 "[ . 1 . 2]" 1 1099 1 85 LEU H 1 85 LEU HG . . 4.230 3.774 2.689 4.048 . 0 0 "[ . 1 . 2]" 1 1100 1 85 LEU H 1 86 SER H . . 3.810 2.745 2.671 2.817 . 0 0 "[ . 1 . 2]" 1 1101 1 85 LEU H 1 87 LEU H . . 4.930 4.520 4.218 4.718 . 0 0 "[ . 1 . 2]" 1 1102 1 85 LEU H 1 88 VAL QG . . 4.820 4.037 3.834 4.404 . 0 0 "[ . 1 . 2]" 1 1103 1 85 LEU H 1 158 LEU MD2 . . 4.690 4.184 4.047 4.557 . 0 0 "[ . 1 . 2]" 1 1104 1 85 LEU HA 1 85 LEU QD . . 3.750 1.893 1.855 1.948 . 0 0 "[ . 1 . 2]" 1 1105 1 85 LEU HA 1 87 LEU H . . 5.010 4.620 4.192 4.863 . 0 0 "[ . 1 . 2]" 1 1106 1 85 LEU HA 1 88 VAL H . . 4.620 3.837 3.694 3.971 . 0 0 "[ . 1 . 2]" 1 1107 1 85 LEU HA 1 88 VAL QG . . 4.140 2.118 1.828 2.958 . 0 0 "[ . 1 . 2]" 1 1108 1 85 LEU HA 1 89 LYS H . . 4.760 3.841 3.442 4.115 . 0 0 "[ . 1 . 2]" 1 1109 1 85 LEU HA 1 121 GLU QG . . 5.810 5.363 5.084 5.571 . 0 0 "[ . 1 . 2]" 1 1110 1 85 LEU HA 1 158 LEU MD2 . . 3.860 2.130 1.921 2.673 . 0 0 "[ . 1 . 2]" 1 1111 1 85 LEU HA 1 158 LEU HG . . 4.590 3.978 3.629 4.427 . 0 0 "[ . 1 . 2]" 1 1112 1 85 LEU QB 1 86 SER H . . 4.050 2.464 2.328 2.637 . 0 0 "[ . 1 . 2]" 1 1113 1 85 LEU QB 1 88 VAL H . . 5.810 5.272 5.077 5.374 . 0 0 "[ . 1 . 2]" 1 1114 1 85 LEU QB 1 121 GLU QB . . 5.040 4.254 4.058 4.561 . 0 0 "[ . 1 . 2]" 1 1115 1 85 LEU QB 1 158 LEU MD2 . . 5.010 2.075 1.930 2.553 . 0 0 "[ . 1 . 2]" 1 1116 1 85 LEU QD 1 86 SER H . . 4.480 3.378 3.137 3.989 . 0 0 "[ . 1 . 2]" 1 1117 1 85 LEU QD 1 88 VAL QG . . 4.140 2.793 2.414 3.227 . 0 0 "[ . 1 . 2]" 1 1118 1 85 LEU QD 1 89 LYS QG . . 4.770 4.024 3.581 4.682 . 0 0 "[ . 1 . 2]" 1 1119 1 85 LEU QD 1 118 ALA HA . . 4.360 2.517 2.283 2.693 . 0 0 "[ . 1 . 2]" 1 1120 1 85 LEU QD 1 118 ALA MB . . 4.090 3.025 2.816 3.173 . 0 0 "[ . 1 . 2]" 1 1121 1 85 LEU QD 1 121 GLU H . . 4.750 3.941 3.724 4.210 . 0 0 "[ . 1 . 2]" 1 1122 1 85 LEU QD 1 121 GLU QB . . 3.630 1.995 1.684 2.208 . 0 0 "[ . 1 . 2]" 1 1123 1 85 LEU QD 1 121 GLU QG . . 3.440 1.982 1.885 2.183 . 0 0 "[ . 1 . 2]" 1 1124 1 85 LEU QD 1 158 LEU MD2 . . 3.580 1.860 1.664 1.984 . 0 0 "[ . 1 . 2]" 1 1125 1 85 LEU QD 1 158 LEU HG . . 4.170 2.761 2.219 3.404 . 0 0 "[ . 1 . 2]" 1 1126 1 85 LEU HG 1 86 SER H . . 5.230 5.032 4.514 5.160 . 0 0 "[ . 1 . 2]" 1 1127 1 85 LEU HG 1 118 ALA HA . . 5.230 5.036 4.733 5.257 0.027 15 0 "[ . 1 . 2]" 1 1128 1 85 LEU HG 1 121 GLU HB2 . . 3.970 3.686 3.351 4.118 0.148 4 0 "[ . 1 . 2]" 1 1129 1 85 LEU HG 1 121 GLU QB . . 3.460 2.873 2.627 3.559 0.099 4 0 "[ . 1 . 2]" 1 1130 1 85 LEU HG 1 121 GLU HB3 . . 3.970 3.004 2.742 3.894 . 0 0 "[ . 1 . 2]" 1 1131 1 85 LEU HG 1 121 GLU QG . . 4.300 3.445 2.755 4.016 . 0 0 "[ . 1 . 2]" 1 1132 1 85 LEU HG 1 157 ARG H . . 5.610 4.665 4.085 5.690 0.080 4 0 "[ . 1 . 2]" 1 1133 1 85 LEU HG 1 157 ARG QD . . 4.440 3.224 1.935 4.375 . 0 0 "[ . 1 . 2]" 1 1134 1 86 SER H 1 86 SER HB2 . . 4.160 2.351 2.181 2.650 . 0 0 "[ . 1 . 2]" 1 1135 1 86 SER H 1 86 SER QB . . 3.400 2.266 2.160 2.390 . 0 0 "[ . 1 . 2]" 1 1136 1 86 SER H 1 86 SER HB3 . . 4.160 3.241 2.454 3.586 . 0 0 "[ . 1 . 2]" 1 1137 1 86 SER H 1 87 LEU H . . 3.690 2.949 2.783 3.057 . 0 0 "[ . 1 . 2]" 1 1138 1 86 SER H 1 87 LEU QB . . 4.880 4.565 4.393 4.685 . 0 0 "[ . 1 . 2]" 1 1139 1 86 SER H 1 88 VAL H . . 4.930 4.709 4.374 4.924 . 0 0 "[ . 1 . 2]" 1 1140 1 86 SER H 1 89 LYS QD . . 4.880 4.167 3.552 4.992 0.112 12 0 "[ . 1 . 2]" 1 1141 1 86 SER H 1 158 LEU MD2 . . 5.650 4.672 4.477 5.112 . 0 0 "[ . 1 . 2]" 1 1142 1 86 SER HA 1 88 VAL QG . . 5.920 4.804 4.308 5.661 . 0 0 "[ . 1 . 2]" 1 1143 1 86 SER HA 1 89 LYS H . . 4.520 3.866 3.649 4.180 . 0 0 "[ . 1 . 2]" 1 1144 1 86 SER HA 1 89 LYS HB2 . . 4.310 2.692 2.429 3.004 . 0 0 "[ . 1 . 2]" 1 1145 1 86 SER HA 1 89 LYS QD . . 4.350 3.216 2.494 4.385 0.035 12 0 "[ . 1 . 2]" 1 1146 1 86 SER HA 1 89 LYS QG . . 5.070 4.301 4.108 4.772 . 0 0 "[ . 1 . 2]" 1 1147 1 86 SER HA 1 90 ALA H . . 4.780 4.309 4.018 4.465 . 0 0 "[ . 1 . 2]" 1 1148 1 86 SER HA 1 90 ALA MB . . 5.470 4.203 3.930 4.426 . 0 0 "[ . 1 . 2]" 1 1149 1 86 SER HA 1 158 LEU MD2 . . 5.440 5.062 4.823 5.440 . 0 0 "[ . 1 . 2]" 1 1150 1 86 SER QB 1 87 LEU H . . 3.670 2.380 2.182 2.635 . 0 0 "[ . 1 . 2]" 1 1151 1 86 SER QB 1 87 LEU QB . . 5.360 3.815 3.721 3.986 . 0 0 "[ . 1 . 2]" 1 1152 1 86 SER QB 1 87 LEU MD2 . . 5.810 5.498 5.394 5.676 . 0 0 "[ . 1 . 2]" 1 1153 1 86 SER QB 1 89 LYS HB2 . . 5.810 4.642 4.328 4.972 . 0 0 "[ . 1 . 2]" 1 1154 1 86 SER QB 1 90 ALA H . . 5.810 5.076 4.854 5.376 . 0 0 "[ . 1 . 2]" 1 1155 1 86 SER HB2 1 87 LEU H . . 4.490 2.941 2.361 3.999 . 0 0 "[ . 1 . 2]" 1 1156 1 86 SER HB3 1 87 LEU H . . 4.490 2.823 2.200 3.506 . 0 0 "[ . 1 . 2]" 1 1157 1 87 LEU H 1 87 LEU HB2 . . 3.470 2.863 2.832 2.942 . 0 0 "[ . 1 . 2]" 1 1158 1 87 LEU H 1 87 LEU HB3 . . 3.470 2.201 2.163 2.225 . 0 0 "[ . 1 . 2]" 1 1159 1 87 LEU H 1 87 LEU MD1 . . 4.320 4.294 4.272 4.329 0.009 9 0 "[ . 1 . 2]" 1 1160 1 87 LEU H 1 87 LEU MD2 . . 4.240 4.118 4.081 4.154 . 0 0 "[ . 1 . 2]" 1 1161 1 87 LEU H 1 87 LEU HG . . 4.640 4.203 4.130 4.237 . 0 0 "[ . 1 . 2]" 1 1162 1 87 LEU H 1 88 VAL H . . 3.640 2.974 2.840 3.044 . 0 0 "[ . 1 . 2]" 1 1163 1 87 LEU H 1 88 VAL QG . . 4.350 4.009 3.743 4.254 . 0 0 "[ . 1 . 2]" 1 1164 1 87 LEU H 1 89 LYS H . . 4.980 4.037 3.660 4.705 . 0 0 "[ . 1 . 2]" 1 1165 1 87 LEU H 1 89 LYS HB2 . . 5.420 4.873 4.643 5.344 . 0 0 "[ . 1 . 2]" 1 1166 1 87 LEU H 1 90 ALA H . . 4.880 4.571 4.340 4.816 . 0 0 "[ . 1 . 2]" 1 1167 1 87 LEU H 1 90 ALA MB . . 5.080 4.482 4.276 4.623 . 0 0 "[ . 1 . 2]" 1 1168 1 87 LEU HA 1 87 LEU MD1 . . 3.540 2.550 2.418 2.618 . 0 0 "[ . 1 . 2]" 1 1169 1 87 LEU HA 1 87 LEU MD2 . . 4.570 4.000 3.963 4.018 . 0 0 "[ . 1 . 2]" 1 1170 1 87 LEU HA 1 88 VAL QG . . 5.920 4.779 4.610 4.878 . 0 0 "[ . 1 . 2]" 1 1171 1 87 LEU HA 1 89 LYS H . . 5.080 4.262 3.846 5.163 0.083 18 0 "[ . 1 . 2]" 1 1172 1 87 LEU HA 1 90 ALA H . . 3.810 3.335 3.023 3.771 . 0 0 "[ . 1 . 2]" 1 1173 1 87 LEU HA 1 90 ALA MB . . 3.790 2.582 2.380 2.855 . 0 0 "[ . 1 . 2]" 1 1174 1 87 LEU HA 1 91 LYS H . . 4.360 3.511 3.157 3.924 . 0 0 "[ . 1 . 2]" 1 1175 1 87 LEU QB 1 91 LYS H . . 5.330 4.866 4.598 5.186 . 0 0 "[ . 1 . 2]" 1 1176 1 87 LEU HB2 1 88 VAL H . . 4.310 3.771 3.678 3.931 . 0 0 "[ . 1 . 2]" 1 1177 1 87 LEU HB3 1 88 VAL H . . 4.310 2.406 2.249 2.636 . 0 0 "[ . 1 . 2]" 1 1178 1 87 LEU MD1 1 88 VAL H . . 4.730 3.808 3.718 3.981 . 0 0 "[ . 1 . 2]" 1 1179 1 87 LEU MD1 1 90 ALA H . . 4.890 4.291 4.089 4.540 . 0 0 "[ . 1 . 2]" 1 1180 1 87 LEU MD1 1 91 LYS QB . . 3.480 2.528 2.221 2.877 . 0 0 "[ . 1 . 2]" 1 1181 1 87 LEU MD1 1 91 LYS QE . . 4.780 4.510 4.355 4.656 . 0 0 "[ . 1 . 2]" 1 1182 1 87 LEU MD1 1 92 PHE H . . 5.230 4.972 4.727 5.188 . 0 0 "[ . 1 . 2]" 1 1183 1 87 LEU MD2 1 88 VAL H . . 4.250 3.389 3.264 3.630 . 0 0 "[ . 1 . 2]" 1 1184 1 87 LEU MD2 1 88 VAL HA . . 4.600 4.198 4.091 4.326 . 0 0 "[ . 1 . 2]" 1 1185 1 87 LEU HG 1 88 VAL H . . 4.350 2.454 2.366 2.639 . 0 0 "[ . 1 . 2]" 1 1186 1 87 LEU HG 1 88 VAL QG . . 5.050 3.474 2.535 3.919 . 0 0 "[ . 1 . 2]" 1 1187 1 88 VAL H 1 88 VAL HB . . 3.930 2.503 2.277 2.871 . 0 0 "[ . 1 . 2]" 1 1188 1 88 VAL H 1 88 VAL MG1 . . 3.870 2.759 1.905 3.767 . 0 0 "[ . 1 . 2]" 1 1189 1 88 VAL H 1 88 VAL QG . . 3.350 2.207 1.887 2.542 . 0 0 "[ . 1 . 2]" 1 1190 1 88 VAL H 1 88 VAL MG2 . . 3.870 3.196 1.893 3.763 . 0 0 "[ . 1 . 2]" 1 1191 1 88 VAL H 1 89 LYS H . . 3.910 2.837 2.736 3.076 . 0 0 "[ . 1 . 2]" 1 1192 1 88 VAL H 1 91 LYS QG . . 5.000 3.750 3.595 3.864 . 0 0 "[ . 1 . 2]" 1 1193 1 88 VAL HA 1 90 ALA H . . 4.490 4.072 3.774 4.468 . 0 0 "[ . 1 . 2]" 1 1194 1 88 VAL HA 1 91 LYS H . . 4.360 4.015 3.662 4.344 . 0 0 "[ . 1 . 2]" 1 1195 1 88 VAL HA 1 91 LYS QB . . 4.680 4.181 3.988 4.425 . 0 0 "[ . 1 . 2]" 1 1196 1 88 VAL HA 1 91 LYS QD . . 4.800 2.174 2.038 2.329 . 0 0 "[ . 1 . 2]" 1 1197 1 88 VAL QG 1 89 LYS H . . 3.490 2.544 1.771 3.415 . 0 0 "[ . 1 . 2]" 1 1198 1 88 VAL QG 1 89 LYS HA . . 4.320 3.223 2.988 3.691 . 0 0 "[ . 1 . 2]" 1 1199 1 88 VAL QG 1 89 LYS QG . . 5.360 2.671 2.079 4.339 . 0 0 "[ . 1 . 2]" 1 1200 1 88 VAL QG 1 90 ALA H . . 5.060 4.093 3.666 4.552 . 0 0 "[ . 1 . 2]" 1 1201 1 88 VAL QG 1 90 ALA MB . . 5.530 4.981 4.650 5.259 . 0 0 "[ . 1 . 2]" 1 1202 1 88 VAL QG 1 91 LYS H . . 5.810 4.866 4.561 5.081 . 0 0 "[ . 1 . 2]" 1 1203 1 88 VAL QG 1 92 PHE H . . 4.750 4.286 3.647 4.644 . 0 0 "[ . 1 . 2]" 1 1204 1 88 VAL QG 1 92 PHE HA . . 5.920 5.454 4.764 5.860 . 0 0 "[ . 1 . 2]" 1 1205 1 88 VAL QG 1 92 PHE HB3 . . 4.670 3.565 2.605 3.904 . 0 0 "[ . 1 . 2]" 1 1206 1 88 VAL QG 1 92 PHE HD2 . . 4.460 4.484 4.391 5.003 0.543 10 1 "[ . + . 2]" 1 1207 1 88 VAL QG 1 118 ALA HA . . 5.920 4.364 4.071 4.690 . 0 0 "[ . 1 . 2]" 1 1208 1 88 VAL QG 1 118 ALA MB . . 3.880 2.957 2.600 3.193 . 0 0 "[ . 1 . 2]" 1 1209 1 88 VAL QG 1 158 LEU HA . . 5.920 4.730 4.126 5.661 . 0 0 "[ . 1 . 2]" 1 1210 1 88 VAL QG 1 158 LEU MD2 . . 3.530 2.339 1.792 3.292 . 0 0 "[ . 1 . 2]" 1 1211 1 88 VAL QG 1 158 LEU HG . . 4.060 3.029 2.347 3.958 . 0 0 "[ . 1 . 2]" 1 1212 1 88 VAL MG1 1 89 LYS H . . 4.150 2.650 1.779 3.731 . 0 0 "[ . 1 . 2]" 1 1213 1 88 VAL MG1 1 89 LYS HA . . 5.560 3.341 3.145 3.775 . 0 0 "[ . 1 . 2]" 1 1214 1 88 VAL MG1 1 92 PHE H . . 5.810 5.030 3.868 5.491 . 0 0 "[ . 1 . 2]" 1 1215 1 88 VAL MG1 1 118 ALA MB . . 4.480 3.431 3.075 4.149 . 0 0 "[ . 1 . 2]" 1 1216 1 88 VAL MG1 1 158 LEU MD2 . . 4.100 2.458 1.799 3.783 . 0 0 "[ . 1 . 2]" 1 1217 1 88 VAL MG1 1 158 LEU HG . . 4.790 3.160 2.378 4.461 . 0 0 "[ . 1 . 2]" 1 1218 1 88 VAL MG2 1 89 LYS H . . 4.150 3.800 3.276 4.087 . 0 0 "[ . 1 . 2]" 1 1219 1 88 VAL MG2 1 89 LYS HA . . 5.560 4.343 3.475 5.456 . 0 0 "[ . 1 . 2]" 1 1220 1 88 VAL MG2 1 92 PHE H . . 5.810 4.949 3.729 5.947 0.137 6 0 "[ . 1 . 2]" 1 1221 1 88 VAL MG2 1 118 ALA MB . . 4.480 3.394 2.682 4.159 . 0 0 "[ . 1 . 2]" 1 1222 1 88 VAL MG2 1 158 LEU MD2 . . 4.100 3.683 3.300 4.055 . 0 0 "[ . 1 . 2]" 1 1223 1 88 VAL MG2 1 158 LEU HG . . 4.790 4.080 3.469 4.646 . 0 0 "[ . 1 . 2]" 1 1224 1 89 LYS H 1 89 LYS HB2 . . 3.030 2.315 2.105 2.482 . 0 0 "[ . 1 . 2]" 1 1225 1 89 LYS H 1 89 LYS QD . . 4.130 3.830 2.804 4.477 0.347 12 0 "[ . 1 . 2]" 1 1226 1 89 LYS H 1 89 LYS QG . . 3.590 2.745 2.186 3.526 . 0 0 "[ . 1 . 2]" 1 1227 1 89 LYS H 1 158 LEU MD2 . . 3.930 3.833 3.368 4.067 0.137 9 0 "[ . 1 . 2]" 1 1228 1 89 LYS HA 1 89 LYS QE . . 4.650 4.298 3.837 4.688 0.038 4 0 "[ . 1 . 2]" 1 1229 1 89 LYS HA 1 89 LYS QG . . 3.970 2.331 2.036 2.439 . 0 0 "[ . 1 . 2]" 1 1230 1 89 LYS HA 1 93 CYS QB . . 5.690 3.983 3.756 4.128 . 0 0 "[ . 1 . 2]" 1 1231 1 89 LYS HA 1 158 LEU MD2 . . 4.260 4.186 3.932 4.349 0.089 10 0 "[ . 1 . 2]" 1 1232 1 89 LYS HB2 1 89 LYS QD . . 3.040 2.357 2.074 3.057 0.017 12 0 "[ . 1 . 2]" 1 1233 1 89 LYS HB2 1 89 LYS QE . . 5.050 3.182 1.944 4.051 . 0 0 "[ . 1 . 2]" 1 1234 1 89 LYS HB2 1 90 ALA H . . 3.270 3.096 2.795 3.343 0.073 4 0 "[ . 1 . 2]" 1 1235 1 89 LYS HB2 1 90 ALA HA . . 4.820 4.677 4.460 5.071 0.251 4 0 "[ . 1 . 2]" 1 1236 1 89 LYS HB2 1 92 PHE H . . 6.000 5.970 5.734 6.090 0.090 4 0 "[ . 1 . 2]" 1 1237 1 89 LYS QD 1 90 ALA H . . 5.340 5.162 4.840 5.452 0.112 12 0 "[ . 1 . 2]" 1 1238 1 89 LYS QD 1 157 ARG QG . . 3.450 2.866 1.960 3.557 0.107 13 0 "[ . 1 . 2]" 1 1239 1 89 LYS QE 1 157 ARG HA . . 6.000 4.356 3.347 5.202 . 0 0 "[ . 1 . 2]" 1 1240 1 89 LYS QE 1 157 ARG QG . . 3.660 3.114 2.228 4.061 0.401 13 0 "[ . 1 . 2]" 1 1241 1 89 LYS QE 1 158 LEU MD2 . . 4.680 3.461 1.897 4.228 . 0 0 "[ . 1 . 2]" 1 1242 1 89 LYS QG 1 158 LEU HA . . 4.880 3.517 3.065 4.087 . 0 0 "[ . 1 . 2]" 1 1243 1 89 LYS QG 1 158 LEU MD2 . . 3.320 2.020 1.847 3.332 0.012 4 0 "[ . 1 . 2]" 1 1244 1 90 ALA H 1 90 ALA MB . . 2.830 2.294 2.248 2.314 . 0 0 "[ . 1 . 2]" 1 1245 1 90 ALA H 1 91 LYS H . . 3.510 2.615 2.525 2.798 . 0 0 "[ . 1 . 2]" 1 1246 1 90 ALA H 1 91 LYS QD . . 5.480 5.222 5.151 5.452 . 0 0 "[ . 1 . 2]" 1 1247 1 90 ALA H 1 91 LYS QG . . 3.980 3.200 3.119 3.425 . 0 0 "[ . 1 . 2]" 1 1248 1 90 ALA H 1 93 CYS QB . . 5.000 4.374 4.304 4.493 . 0 0 "[ . 1 . 2]" 1 1249 1 90 ALA HA 1 92 PHE H . . 4.590 4.104 3.984 4.300 . 0 0 "[ . 1 . 2]" 1 1250 1 90 ALA HA 1 93 CYS H . . 3.960 3.124 3.046 3.311 . 0 0 "[ . 1 . 2]" 1 1251 1 90 ALA HA 1 93 CYS QB . . 4.010 2.269 2.150 2.602 . 0 0 "[ . 1 . 2]" 1 1252 1 90 ALA HA 1 94 GLU HG2 . . 4.530 4.393 4.162 4.584 0.054 18 0 "[ . 1 . 2]" 1 1253 1 90 ALA MB 1 91 LYS H . . 3.140 2.103 2.044 2.159 . 0 0 "[ . 1 . 2]" 1 1254 1 90 ALA MB 1 91 LYS HA . . 3.820 3.719 3.699 3.728 . 0 0 "[ . 1 . 2]" 1 1255 1 90 ALA MB 1 92 PHE H . . 4.870 4.171 4.103 4.238 . 0 0 "[ . 1 . 2]" 1 1256 1 90 ALA MB 1 93 CYS H . . 4.500 4.254 4.169 4.430 . 0 0 "[ . 1 . 2]" 1 1257 1 90 ALA MB 1 93 CYS QB . . 4.280 3.802 3.661 4.086 . 0 0 "[ . 1 . 2]" 1 1258 1 90 ALA MB 1 94 GLU H . . 4.510 4.486 4.417 4.560 0.050 10 0 "[ . 1 . 2]" 1 1259 1 91 LYS H 1 91 LYS QB . . 3.060 2.665 2.653 2.678 . 0 0 "[ . 1 . 2]" 1 1260 1 91 LYS H 1 91 LYS QD . . 4.780 4.024 4.004 4.047 . 0 0 "[ . 1 . 2]" 1 1261 1 91 LYS H 1 91 LYS QE . . 4.920 3.543 3.455 3.610 . 0 0 "[ . 1 . 2]" 1 1262 1 91 LYS H 1 91 LYS QG . . 3.880 1.905 1.874 1.939 . 0 0 "[ . 1 . 2]" 1 1263 1 91 LYS H 1 92 PHE H . . 3.810 2.842 2.782 2.894 . 0 0 "[ . 1 . 2]" 1 1264 1 91 LYS H 1 93 CYS H . . 4.820 4.098 3.985 4.302 . 0 0 "[ . 1 . 2]" 1 1265 1 91 LYS H 1 94 GLU H . . 4.810 4.722 4.663 4.798 . 0 0 "[ . 1 . 2]" 1 1266 1 91 LYS HA 1 91 LYS QD . . 4.360 4.253 4.210 4.310 . 0 0 "[ . 1 . 2]" 1 1267 1 91 LYS HA 1 91 LYS QE . . 4.800 4.158 4.069 4.225 . 0 0 "[ . 1 . 2]" 1 1268 1 91 LYS HA 1 93 CYS H . . 4.880 4.404 4.157 4.688 . 0 0 "[ . 1 . 2]" 1 1269 1 91 LYS HA 1 94 GLU H . . 4.270 3.672 3.508 3.793 . 0 0 "[ . 1 . 2]" 1 1270 1 91 LYS HA 1 94 GLU HG2 . . 5.140 1.997 1.913 2.108 . 0 0 "[ . 1 . 2]" 1 1271 1 91 LYS HA 1 95 ALA H . . 4.590 4.137 3.959 4.392 . 0 0 "[ . 1 . 2]" 1 1272 1 91 LYS QB 1 91 LYS QE . . 4.210 2.853 2.713 2.979 . 0 0 "[ . 1 . 2]" 1 1273 1 91 LYS QB 1 92 PHE H . . 4.210 3.385 3.312 3.446 . 0 0 "[ . 1 . 2]" 1 1274 1 91 LYS QB 1 92 PHE HB3 . . 5.810 4.937 4.793 5.005 . 0 0 "[ . 1 . 2]" 1 1275 1 91 LYS QD 1 92 PHE H . . 3.980 3.611 3.491 3.696 . 0 0 "[ . 1 . 2]" 1 1276 1 91 LYS QE 1 92 PHE H . . 5.280 1.821 1.729 1.892 . 0 0 "[ . 1 . 2]" 1 1277 1 91 LYS QG 1 92 PHE H . . 4.480 2.247 2.137 2.363 . 0 0 "[ . 1 . 2]" 1 1278 1 92 PHE H 1 92 PHE HB2 . . 3.480 3.125 3.037 3.341 . 0 0 "[ . 1 . 2]" 1 1279 1 92 PHE H 1 92 PHE HB3 . . 3.890 2.198 2.134 2.224 . 0 0 "[ . 1 . 2]" 1 1280 1 92 PHE H 1 92 PHE HD2 . . 5.330 4.083 3.896 5.195 . 0 0 "[ . 1 . 2]" 1 1281 1 92 PHE H 1 93 CYS H . . 3.160 2.319 2.264 2.408 . 0 0 "[ . 1 . 2]" 1 1282 1 92 PHE H 1 93 CYS HA . . 5.040 4.999 4.958 5.075 0.035 10 0 "[ . 1 . 2]" 1 1283 1 92 PHE H 1 94 GLU H . . 4.610 3.703 3.578 3.875 . 0 0 "[ . 1 . 2]" 1 1284 1 92 PHE H 1 94 GLU HB3 . . 5.850 5.779 5.492 5.996 0.146 4 0 "[ . 1 . 2]" 1 1285 1 92 PHE H 1 95 ALA H . . 4.920 4.598 4.414 4.775 . 0 0 "[ . 1 . 2]" 1 1286 1 92 PHE HA 1 95 ALA H . . 4.430 3.412 3.327 3.529 . 0 0 "[ . 1 . 2]" 1 1287 1 92 PHE HA 1 95 ALA MB . . 4.620 3.716 3.568 3.905 . 0 0 "[ . 1 . 2]" 1 1288 1 92 PHE HB2 1 95 ALA MB . . 6.000 5.596 5.420 5.815 . 0 0 "[ . 1 . 2]" 1 1289 1 92 PHE HB3 1 92 PHE HE2 . . 4.770 4.656 4.599 5.405 0.635 10 1 "[ . + . 2]" 1 1290 1 92 PHE HB3 1 93 CYS H . . 4.580 3.064 2.946 3.214 . 0 0 "[ . 1 . 2]" 1 1291 1 92 PHE HB3 1 93 CYS HA . . 5.500 4.841 4.781 5.108 . 0 0 "[ . 1 . 2]" 1 1292 1 92 PHE HB3 1 95 ALA MB . . 6.000 6.170 5.889 6.363 0.363 15 0 "[ . 1 . 2]" 1 1293 1 92 PHE HE2 1 93 CYS H . . 5.400 5.432 5.311 5.934 0.534 10 1 "[ . + . 2]" 1 1294 1 93 CYS H 1 93 CYS QB . . 2.970 2.276 2.252 2.285 . 0 0 "[ . 1 . 2]" 1 1295 1 93 CYS H 1 94 GLU H . . 3.410 2.373 2.260 2.469 . 0 0 "[ . 1 . 2]" 1 1296 1 93 CYS H 1 94 GLU HB3 . . 4.830 4.705 4.624 4.759 . 0 0 "[ . 1 . 2]" 1 1297 1 93 CYS H 1 94 GLU HG3 . . 5.020 4.101 3.769 4.378 . 0 0 "[ . 1 . 2]" 1 1298 1 93 CYS H 1 95 ALA H . . 4.200 3.919 3.743 4.040 . 0 0 "[ . 1 . 2]" 1 1299 1 93 CYS H 1 95 ALA MB . . 5.550 5.434 5.273 5.530 . 0 0 "[ . 1 . 2]" 1 1300 1 93 CYS HA 1 94 GLU HA . . 5.060 4.607 4.582 4.658 . 0 0 "[ . 1 . 2]" 1 1301 1 93 CYS HA 1 95 ALA H . . 4.740 4.326 4.069 4.565 . 0 0 "[ . 1 . 2]" 1 1302 1 93 CYS QB 1 94 GLU H . . 3.250 3.127 3.004 3.191 . 0 0 "[ . 1 . 2]" 1 1303 1 93 CYS QB 1 94 GLU HB3 . . 5.050 4.223 4.089 4.328 . 0 0 "[ . 1 . 2]" 1 1304 1 93 CYS QB 1 94 GLU HG2 . . 4.900 4.891 4.577 5.065 0.165 10 0 "[ . 1 . 2]" 1 1305 1 93 CYS QB 1 94 GLU HG3 . . 5.850 4.963 4.735 5.132 . 0 0 "[ . 1 . 2]" 1 1306 1 93 CYS QB 1 95 ALA H . . 5.090 4.902 4.758 5.039 . 0 0 "[ . 1 . 2]" 1 1307 1 94 GLU H 1 94 GLU HB3 . . 3.120 2.839 2.756 2.890 . 0 0 "[ . 1 . 2]" 1 1308 1 94 GLU H 1 94 GLU HG2 . . 4.620 2.911 2.607 3.064 . 0 0 "[ . 1 . 2]" 1 1309 1 94 GLU H 1 94 GLU HG3 . . 3.610 2.173 1.947 2.359 . 0 0 "[ . 1 . 2]" 1 1310 1 94 GLU H 1 95 ALA H . . 3.400 2.144 2.075 2.276 . 0 0 "[ . 1 . 2]" 1 1311 1 94 GLU H 1 95 ALA MB . . 4.090 4.098 4.021 4.175 0.085 18 0 "[ . 1 . 2]" 1 1312 1 94 GLU HA 1 94 GLU HG3 . . 4.190 3.570 3.566 3.584 . 0 0 "[ . 1 . 2]" 1 1313 1 94 GLU HB2 1 95 ALA H . . 4.550 3.949 3.735 4.054 . 0 0 "[ . 1 . 2]" 1 1314 1 94 GLU HB2 1 95 ALA MB . . 4.520 4.235 4.099 4.388 . 0 0 "[ . 1 . 2]" 1 1315 1 94 GLU HB3 1 95 ALA H . . 4.050 4.057 3.985 4.159 0.109 18 0 "[ . 1 . 2]" 1 1316 1 94 GLU HG3 1 95 ALA H . . 4.190 2.072 1.914 2.255 . 0 0 "[ . 1 . 2]" 1 1317 1 94 GLU HG3 1 95 ALA MB . . 4.290 2.848 2.612 3.020 . 0 0 "[ . 1 . 2]" 1 1318 1 94 GLU HG3 1 96 PRO QD . . 5.650 5.572 5.420 5.697 0.047 6 0 "[ . 1 . 2]" 1 1319 1 95 ALA H 1 95 ALA MB . . 3.170 2.489 2.237 2.598 . 0 0 "[ . 1 . 2]" 1 1320 1 95 ALA H 1 96 PRO HD2 . . 5.020 4.808 4.751 4.833 . 0 0 "[ . 1 . 2]" 1 1321 1 95 ALA H 1 96 PRO HD3 . . 5.020 4.977 4.905 5.091 0.071 6 0 "[ . 1 . 2]" 1 1322 1 95 ALA H 1 98 SER H . . 5.130 4.903 4.624 5.530 0.400 8 0 "[ . 1 . 2]" 1 1323 1 95 ALA HA 1 96 PRO HD2 . . 3.740 2.412 2.278 2.539 . 0 0 "[ . 1 . 2]" 1 1324 1 95 ALA HA 1 96 PRO QD . . 3.260 2.097 2.023 2.174 . 0 0 "[ . 1 . 2]" 1 1325 1 95 ALA HA 1 96 PRO HD3 . . 3.740 2.306 2.263 2.364 . 0 0 "[ . 1 . 2]" 1 1326 1 95 ALA HA 1 96 PRO QG . . 5.140 4.010 3.928 4.093 . 0 0 "[ . 1 . 2]" 1 1327 1 95 ALA MB 1 96 PRO HA . . 4.580 4.422 4.342 4.474 . 0 0 "[ . 1 . 2]" 1 1328 1 95 ALA MB 1 96 PRO HD2 . . 4.450 1.994 1.937 2.227 . 0 0 "[ . 1 . 2]" 1 1329 1 95 ALA MB 1 96 PRO QD . . 3.720 1.976 1.921 2.199 . 0 0 "[ . 1 . 2]" 1 1330 1 95 ALA MB 1 96 PRO HD3 . . 4.450 3.222 3.105 3.395 . 0 0 "[ . 1 . 2]" 1 1331 1 95 ALA MB 1 96 PRO QG . . 4.680 3.508 3.369 3.734 . 0 0 "[ . 1 . 2]" 1 1332 1 95 ALA MB 1 98 SER H . . 3.650 2.633 2.049 2.803 . 0 0 "[ . 1 . 2]" 1 1333 1 95 ALA MB 1 98 SER HA . . 4.600 4.090 3.962 4.345 . 0 0 "[ . 1 . 2]" 1 1334 1 95 ALA MB 1 98 SER QB . . 3.950 2.003 1.818 3.029 . 0 0 "[ . 1 . 2]" 1 1335 1 95 ALA MB 1 99 CYS H . . 5.060 4.385 3.861 4.775 . 0 0 "[ . 1 . 2]" 1 1336 1 96 PRO HA 1 97 GLY H . . 3.360 2.635 2.332 3.460 0.100 18 0 "[ . 1 . 2]" 1 1337 1 96 PRO HB2 1 98 SER H . . 4.560 4.600 4.232 4.790 0.230 6 0 "[ . 1 . 2]" 1 1338 1 96 PRO QG 1 97 GLY H . . 5.000 4.114 1.846 4.716 . 0 0 "[ . 1 . 2]" 1 1339 1 97 GLY H 1 98 SER H . . 4.300 2.696 1.910 2.848 . 0 0 "[ . 1 . 2]" 1 1340 1 98 SER H 1 98 SER QB . . 3.720 2.419 2.177 2.882 . 0 0 "[ . 1 . 2]" 1 1341 1 98 SER H 1 99 CYS H . . 5.200 4.384 3.525 4.526 . 0 0 "[ . 1 . 2]" 1 1342 1 98 SER QB 1 99 CYS H . . 4.830 1.848 1.808 1.926 . 0 0 "[ . 1 . 2]" 1 1343 1 99 CYS H 1 100 VAL H . . 5.240 4.494 4.353 4.545 . 0 0 "[ . 1 . 2]" 1 1344 1 99 CYS QB 1 100 VAL QG . . 4.440 3.711 3.565 3.847 . 0 0 "[ . 1 . 2]" 1 1345 1 99 CYS HB2 1 100 VAL H . . 4.580 3.635 3.425 3.930 . 0 0 "[ . 1 . 2]" 1 1346 1 99 CYS HB3 1 100 VAL H . . 4.580 2.446 2.301 2.579 . 0 0 "[ . 1 . 2]" 1 1347 1 100 VAL H 1 100 VAL HB . . 3.940 3.472 3.228 3.717 . 0 0 "[ . 1 . 2]" 1 1348 1 100 VAL H 1 101 ALA H . . 5.030 4.252 4.074 4.410 . 0 0 "[ . 1 . 2]" 1 1349 1 100 VAL H 1 102 VAL H . . 6.000 6.164 6.032 6.292 0.292 3 0 "[ . 1 . 2]" 1 1350 1 100 VAL HB 1 101 ALA H . . 5.310 3.729 3.471 3.936 . 0 0 "[ . 1 . 2]" 1 1351 1 100 VAL HB 1 101 ALA MB . . 5.300 5.199 5.123 5.297 . 0 0 "[ . 1 . 2]" 1 1352 1 100 VAL QG 1 101 ALA H . . 4.560 3.050 2.641 3.314 . 0 0 "[ . 1 . 2]" 1 1353 1 101 ALA H 1 102 VAL H . . 5.050 4.424 4.333 4.493 . 0 0 "[ . 1 . 2]" 1 1354 1 101 ALA HA 1 102 VAL QG . . 4.700 3.421 3.327 4.211 . 0 0 "[ . 1 . 2]" 1 1355 1 101 ALA MB 1 102 VAL H . . 3.890 3.246 3.188 3.273 . 0 0 "[ . 1 . 2]" 1 1356 1 102 VAL H 1 102 VAL QG . . 3.540 2.223 2.101 3.138 . 0 0 "[ . 1 . 2]" 1 1357 1 102 VAL H 1 103 HIS H . . 4.670 4.411 4.376 4.460 . 0 0 "[ . 1 . 2]" 1 1358 1 102 VAL HB 1 103 HIS H . . 4.760 2.875 2.742 4.188 . 0 0 "[ . 1 . 2]" 1 1359 1 102 VAL QG 1 103 HIS H . . 3.740 3.267 2.137 3.390 . 0 0 "[ . 1 . 2]" 1 1360 1 102 VAL QG 1 103 HIS HA . . 4.250 3.999 3.520 4.182 . 0 0 "[ . 1 . 2]" 1 1361 1 104 CYS HB2 1 105 VAL H . . 5.340 3.834 2.696 4.409 . 0 0 "[ . 1 . 2]" 1 1362 1 104 CYS HB3 1 105 VAL H . . 5.340 3.606 2.619 4.236 . 0 0 "[ . 1 . 2]" 1 1363 1 105 VAL H 1 105 VAL QG . . 4.210 1.946 1.751 2.416 . 0 0 "[ . 1 . 2]" 1 1364 1 105 VAL H 1 106 ALA H . . 4.750 3.695 3.029 4.391 . 0 0 "[ . 1 . 2]" 1 1365 1 105 VAL H 1 106 ALA MB . . 5.720 5.293 4.924 5.625 . 0 0 "[ . 1 . 2]" 1 1366 1 105 VAL H 1 107 GLY H . . 4.810 3.919 3.722 4.116 . 0 0 "[ . 1 . 2]" 1 1367 1 105 VAL H 1 110 ARG QD . . 5.740 4.125 2.216 5.821 0.081 11 0 "[ . 1 . 2]" 1 1368 1 105 VAL H 1 110 ARG QG . . 5.420 4.284 2.481 5.433 0.013 14 0 "[ . 1 . 2]" 1 1369 1 105 VAL HA 1 107 GLY H . . 5.290 4.789 4.283 5.150 . 0 0 "[ . 1 . 2]" 1 1370 1 105 VAL HB 1 106 ALA H . . 4.110 2.513 1.754 3.508 . 0 0 "[ . 1 . 2]" 1 1371 1 105 VAL QG 1 106 ALA H . . 4.230 1.854 1.580 2.369 . 0 0 "[ . 1 . 2]" 1 1372 1 105 VAL QG 1 106 ALA MB . . 4.200 2.834 2.007 3.315 . 0 0 "[ . 1 . 2]" 1 1373 1 105 VAL QG 1 107 GLY H . . 4.860 2.123 1.636 2.473 . 0 0 "[ . 1 . 2]" 1 1374 1 105 VAL QG 1 107 GLY QA . . 4.980 3.467 2.884 3.927 . 0 0 "[ . 1 . 2]" 1 1375 1 106 ALA H 1 107 GLY H . . 4.360 2.299 1.963 2.783 . 0 0 "[ . 1 . 2]" 1 1376 1 106 ALA MB 1 107 GLY H . . 4.430 2.888 2.815 2.983 . 0 0 "[ . 1 . 2]" 1 1377 1 106 ALA MB 1 107 GLY HA2 . . 5.320 4.588 4.552 4.641 . 0 0 "[ . 1 . 2]" 1 1378 1 106 ALA MB 1 107 GLY HA3 . . 5.320 3.999 3.935 4.104 . 0 0 "[ . 1 . 2]" 1 1379 1 106 ALA MB 1 108 LEU H . . 4.420 4.059 3.879 4.206 . 0 0 "[ . 1 . 2]" 1 1380 1 106 ALA MB 1 108 LEU QB . . 4.270 3.995 3.661 4.252 . 0 0 "[ . 1 . 2]" 1 1381 1 106 ALA MB 1 108 LEU HG . . 3.860 3.472 3.173 3.598 . 0 0 "[ . 1 . 2]" 1 1382 1 107 GLY H 1 108 LEU H . . 4.560 3.985 3.924 4.075 . 0 0 "[ . 1 . 2]" 1 1383 1 107 GLY H 1 109 GLY H . . 6.000 5.737 4.540 6.693 0.693 1 7 "[+ * . 1 **. **-2]" 1 1384 1 108 LEU H 1 108 LEU QB . . 3.770 3.085 3.031 3.156 . 0 0 "[ . 1 . 2]" 1 1385 1 108 LEU H 1 108 LEU QD . . 4.850 3.058 2.652 3.375 . 0 0 "[ . 1 . 2]" 1 1386 1 108 LEU H 1 108 LEU HG . . 4.660 2.666 2.265 3.044 . 0 0 "[ . 1 . 2]" 1 1387 1 108 LEU H 1 109 GLY H . . 4.410 4.374 3.978 4.652 0.242 13 0 "[ . 1 . 2]" 1 1388 1 108 LEU HA 1 108 LEU QD . . 3.760 2.079 1.940 2.355 . 0 0 "[ . 1 . 2]" 1 1389 1 108 LEU HA 1 108 LEU HG . . 4.270 3.013 2.861 3.249 . 0 0 "[ . 1 . 2]" 1 1390 1 108 LEU HA 1 140 ALA MB . . 4.390 4.383 4.034 4.627 0.237 16 0 "[ . 1 . 2]" 1 1391 1 108 LEU QB 1 109 GLY H . . 4.640 1.815 1.631 2.044 . 0 0 "[ . 1 . 2]" 1 1392 1 108 LEU QB 1 140 ALA HA . . 4.950 4.946 4.702 5.109 0.159 9 0 "[ . 1 . 2]" 1 1393 1 108 LEU QD 1 109 GLY H . . 5.390 3.307 2.954 3.630 . 0 0 "[ . 1 . 2]" 1 1394 1 108 LEU QD 1 112 PRO QD . . 5.200 4.386 4.058 4.685 . 0 0 "[ . 1 . 2]" 1 1395 1 108 LEU QD 1 140 ALA HA . . 4.160 4.265 3.781 4.426 0.266 15 0 "[ . 1 . 2]" 1 1396 1 108 LEU QD 1 140 ALA MB . . 4.330 4.348 4.161 4.506 0.176 5 0 "[ . 1 . 2]" 1 1397 1 108 LEU HG 1 109 GLY H . . 5.070 4.461 4.331 4.570 . 0 0 "[ . 1 . 2]" 1 1398 1 108 LEU HG 1 112 PRO QD . . 5.810 5.646 5.380 5.859 0.049 5 0 "[ . 1 . 2]" 1 1399 1 109 GLY H 1 110 ARG H . . 5.200 3.636 3.014 4.092 . 0 0 "[ . 1 . 2]" 1 1400 1 109 GLY H 1 140 ALA HA . . 6.000 5.030 4.116 6.128 0.128 6 0 "[ . 1 . 2]" 1 1401 1 110 ARG H 1 110 ARG QG . . 4.820 2.417 1.887 3.993 . 0 0 "[ . 1 . 2]" 1 1402 1 110 ARG H 1 114 LEU QD . . 5.240 4.388 3.938 4.936 . 0 0 "[ . 1 . 2]" 1 1403 1 110 ARG HA 1 110 ARG HE . . 4.760 4.234 2.133 4.824 0.064 12 0 "[ . 1 . 2]" 1 1404 1 110 ARG HA 1 113 VAL HB . . 4.950 2.494 1.946 4.465 . 0 0 "[ . 1 . 2]" 1 1405 1 110 ARG HA 1 113 VAL QG . . 3.920 2.714 1.743 3.101 . 0 0 "[ . 1 . 2]" 1 1406 1 110 ARG HA 1 114 LEU H . . 4.700 2.929 2.714 3.358 . 0 0 "[ . 1 . 2]" 1 1407 1 110 ARG HA 1 114 LEU QD . . 5.240 2.382 1.824 3.175 . 0 0 "[ . 1 . 2]" 1 1408 1 112 PRO HA 1 114 LEU H . . 5.070 4.738 4.163 4.956 . 0 0 "[ . 1 . 2]" 1 1409 1 112 PRO HA 1 115 VAL H . . 4.600 3.923 3.637 4.024 . 0 0 "[ . 1 . 2]" 1 1410 1 112 PRO HA 1 115 VAL QG . . 3.630 1.869 1.762 2.230 . 0 0 "[ . 1 . 2]" 1 1411 1 112 PRO HA 1 116 ALA H . . 5.450 3.711 3.564 3.801 . 0 0 "[ . 1 . 2]" 1 1412 1 112 PRO HA 1 116 ALA MB . . 5.370 3.950 3.742 4.084 . 0 0 "[ . 1 . 2]" 1 1413 1 112 PRO HA 1 140 ALA MB . . 6.000 4.307 3.988 4.543 . 0 0 "[ . 1 . 2]" 1 1414 1 112 PRO HA 1 141 ILE MG . . 5.780 5.731 5.246 5.995 0.215 20 0 "[ . 1 . 2]" 1 1415 1 112 PRO QB 1 113 VAL H . . 3.860 3.013 2.431 3.228 . 0 0 "[ . 1 . 2]" 1 1416 1 112 PRO QB 1 116 ALA H . . 5.340 4.619 4.473 4.672 . 0 0 "[ . 1 . 2]" 1 1417 1 112 PRO QB 1 133 ILE MD . . 3.660 1.893 1.812 2.126 . 0 0 "[ . 1 . 2]" 1 1418 1 112 PRO QB 1 140 ALA MB . . 3.550 2.097 1.933 2.302 . 0 0 "[ . 1 . 2]" 1 1419 1 112 PRO QB 1 141 ILE H . . 5.500 3.579 3.222 3.770 . 0 0 "[ . 1 . 2]" 1 1420 1 112 PRO HB2 1 113 VAL H . . 4.450 3.116 2.469 3.364 . 0 0 "[ . 1 . 2]" 1 1421 1 112 PRO HB2 1 140 ALA MB . . 4.090 2.277 2.002 2.496 . 0 0 "[ . 1 . 2]" 1 1422 1 112 PRO HB3 1 113 VAL H . . 4.450 4.016 3.650 4.159 . 0 0 "[ . 1 . 2]" 1 1423 1 112 PRO HB3 1 140 ALA MB . . 4.090 2.508 2.115 2.792 . 0 0 "[ . 1 . 2]" 1 1424 1 112 PRO QD 1 113 VAL H . . 4.340 2.649 2.602 2.943 . 0 0 "[ . 1 . 2]" 1 1425 1 112 PRO QD 1 113 VAL QG . . 4.480 3.590 3.021 3.861 . 0 0 "[ . 1 . 2]" 1 1426 1 112 PRO QD 1 115 VAL QG . . 5.810 4.045 3.824 4.663 . 0 0 "[ . 1 . 2]" 1 1427 1 112 PRO QD 1 140 ALA MB . . 4.340 3.432 3.273 3.495 . 0 0 "[ . 1 . 2]" 1 1428 1 112 PRO HD2 1 113 VAL H . . 4.950 2.699 2.647 3.030 . 0 0 "[ . 1 . 2]" 1 1429 1 112 PRO HD2 1 115 VAL H . . 6.000 5.802 5.687 5.901 . 0 0 "[ . 1 . 2]" 1 1430 1 112 PRO HD2 1 140 ALA MB . . 5.210 4.140 4.000 4.328 . 0 0 "[ . 1 . 2]" 1 1431 1 112 PRO HD3 1 113 VAL H . . 4.950 3.855 3.836 3.997 . 0 0 "[ . 1 . 2]" 1 1432 1 112 PRO HD3 1 115 VAL H . . 6.000 6.161 6.018 6.235 0.235 11 0 "[ . 1 . 2]" 1 1433 1 112 PRO HD3 1 140 ALA MB . . 5.210 3.672 3.437 3.770 . 0 0 "[ . 1 . 2]" 1 1434 1 112 PRO QG 1 113 VAL H . . 4.200 2.133 1.680 2.385 . 0 0 "[ . 1 . 2]" 1 1435 1 112 PRO QG 1 140 ALA HA . . 5.350 2.963 2.514 3.453 . 0 0 "[ . 1 . 2]" 1 1436 1 112 PRO QG 1 140 ALA MB . . 4.310 1.867 1.783 2.034 . 0 0 "[ . 1 . 2]" 1 1437 1 113 VAL H 1 113 VAL HB . . 3.710 2.561 2.317 3.615 . 0 0 "[ . 1 . 2]" 1 1438 1 113 VAL H 1 113 VAL MG1 . . 3.590 3.443 1.819 3.756 0.166 19 0 "[ . 1 . 2]" 1 1439 1 113 VAL H 1 113 VAL QG . . 3.110 2.317 1.781 2.578 . 0 0 "[ . 1 . 2]" 1 1440 1 113 VAL H 1 113 VAL MG2 . . 3.590 2.453 2.256 2.630 . 0 0 "[ . 1 . 2]" 1 1441 1 113 VAL H 1 114 LEU H . . 4.010 2.938 2.792 3.039 . 0 0 "[ . 1 . 2]" 1 1442 1 113 VAL H 1 114 LEU QD . . 5.160 4.416 3.860 5.209 0.049 17 0 "[ . 1 . 2]" 1 1443 1 113 VAL H 1 115 VAL H . . 5.060 4.566 4.368 4.916 . 0 0 "[ . 1 . 2]" 1 1444 1 113 VAL H 1 115 VAL QG . . 4.660 4.001 3.693 4.706 0.046 20 0 "[ . 1 . 2]" 1 1445 1 113 VAL H 1 116 ALA MB . . 5.130 4.276 4.006 4.394 . 0 0 "[ . 1 . 2]" 1 1446 1 113 VAL H 1 133 ILE MD . . 4.110 4.071 3.853 4.164 0.054 11 0 "[ . 1 . 2]" 1 1447 1 113 VAL H 1 140 ALA MB . . 4.730 4.374 3.906 4.742 0.012 12 0 "[ . 1 . 2]" 1 1448 1 113 VAL H 1 141 ILE HA . . 5.290 4.043 2.977 4.670 . 0 0 "[ . 1 . 2]" 1 1449 1 113 VAL H 1 141 ILE MD . . 4.810 4.283 3.477 4.637 . 0 0 "[ . 1 . 2]" 1 1450 1 113 VAL HA 1 116 ALA H . . 4.390 3.847 3.687 4.041 . 0 0 "[ . 1 . 2]" 1 1451 1 113 VAL HA 1 116 ALA MB . . 4.070 2.633 2.457 2.878 . 0 0 "[ . 1 . 2]" 1 1452 1 113 VAL HA 1 117 LEU H . . 5.560 4.449 4.207 4.572 . 0 0 "[ . 1 . 2]" 1 1453 1 113 VAL HA 1 141 ILE MD . . 4.050 2.084 1.839 2.345 . 0 0 "[ . 1 . 2]" 1 1454 1 113 VAL HA 1 141 ILE QG . . 4.380 3.191 2.530 4.019 . 0 0 "[ . 1 . 2]" 1 1455 1 113 VAL HB 1 114 LEU H . . 4.230 2.591 2.261 3.848 . 0 0 "[ . 1 . 2]" 1 1456 1 113 VAL QG 1 114 LEU H . . 3.540 2.525 1.759 2.819 . 0 0 "[ . 1 . 2]" 1 1457 1 113 VAL QG 1 114 LEU HA . . 4.520 2.985 2.865 3.202 . 0 0 "[ . 1 . 2]" 1 1458 1 113 VAL QG 1 114 LEU QB . . 4.660 3.761 3.021 4.055 . 0 0 "[ . 1 . 2]" 1 1459 1 113 VAL QG 1 114 LEU QD . . 4.180 2.122 1.726 2.845 . 0 0 "[ . 1 . 2]" 1 1460 1 113 VAL QG 1 117 LEU H . . 5.220 4.330 4.089 4.931 . 0 0 "[ . 1 . 2]" 1 1461 1 113 VAL QG 1 141 ILE HA . . 4.610 2.159 1.931 2.555 . 0 0 "[ . 1 . 2]" 1 1462 1 113 VAL QG 1 141 ILE HB . . 4.190 3.357 3.181 3.748 . 0 0 "[ . 1 . 2]" 1 1463 1 113 VAL QG 1 145 GLN H . . 4.520 4.312 3.709 4.689 0.169 20 0 "[ . 1 . 2]" 1 1464 1 113 VAL QG 1 145 GLN HA . . 5.710 4.159 3.654 5.381 . 0 0 "[ . 1 . 2]" 1 1465 1 113 VAL QG 1 145 GLN QG . . 4.280 1.861 1.705 2.357 . 0 0 "[ . 1 . 2]" 1 1466 1 113 VAL MG1 1 114 LEU H . . 4.180 2.860 2.495 3.728 . 0 0 "[ . 1 . 2]" 1 1467 1 113 VAL MG2 1 114 LEU H . . 4.180 3.560 1.762 3.962 . 0 0 "[ . 1 . 2]" 1 1468 1 114 LEU H 1 114 LEU HB2 . . 4.070 2.253 2.057 2.428 . 0 0 "[ . 1 . 2]" 1 1469 1 114 LEU H 1 114 LEU QB . . 3.500 2.228 2.039 2.391 . 0 0 "[ . 1 . 2]" 1 1470 1 114 LEU H 1 114 LEU HB3 . . 4.070 3.519 3.340 3.578 . 0 0 "[ . 1 . 2]" 1 1471 1 114 LEU H 1 114 LEU MD1 . . 4.160 3.727 2.384 4.245 0.085 20 0 "[ . 1 . 2]" 1 1472 1 114 LEU H 1 114 LEU MD2 . . 4.160 2.496 1.852 3.759 . 0 0 "[ . 1 . 2]" 1 1473 1 114 LEU H 1 114 LEU HG . . 4.600 3.534 2.465 4.417 . 0 0 "[ . 1 . 2]" 1 1474 1 114 LEU H 1 115 VAL H . . 3.860 2.864 2.752 2.934 . 0 0 "[ . 1 . 2]" 1 1475 1 114 LEU H 1 115 VAL HB . . 6.000 5.885 4.737 6.448 0.448 3 0 "[ . 1 . 2]" 1 1476 1 114 LEU H 1 115 VAL QG . . 4.290 3.843 3.542 4.474 0.184 19 0 "[ . 1 . 2]" 1 1477 1 114 LEU H 1 116 ALA H . . 4.900 3.902 3.635 4.017 . 0 0 "[ . 1 . 2]" 1 1478 1 114 LEU H 1 117 LEU H . . 5.080 4.861 4.708 4.927 . 0 0 "[ . 1 . 2]" 1 1479 1 114 LEU H 1 117 LEU HB2 . . 6.000 5.632 5.412 5.827 . 0 0 "[ . 1 . 2]" 1 1480 1 114 LEU H 1 141 ILE MD . . 5.070 5.041 4.706 5.239 0.169 14 0 "[ . 1 . 2]" 1 1481 1 114 LEU HA 1 114 LEU MD1 . . 4.690 2.619 1.832 3.816 . 0 0 "[ . 1 . 2]" 1 1482 1 114 LEU HA 1 114 LEU QD . . 3.700 1.923 1.827 2.012 . 0 0 "[ . 1 . 2]" 1 1483 1 114 LEU HA 1 114 LEU MD2 . . 4.690 2.413 1.857 3.759 . 0 0 "[ . 1 . 2]" 1 1484 1 114 LEU HA 1 117 LEU H . . 5.020 3.496 3.308 3.616 . 0 0 "[ . 1 . 2]" 1 1485 1 114 LEU HA 1 117 LEU HB2 . . 4.890 3.456 3.089 3.642 . 0 0 "[ . 1 . 2]" 1 1486 1 114 LEU HA 1 117 LEU HG . . 5.090 4.863 4.533 5.020 . 0 0 "[ . 1 . 2]" 1 1487 1 114 LEU HA 1 118 ALA H . . 5.590 4.551 4.438 4.675 . 0 0 "[ . 1 . 2]" 1 1488 1 114 LEU QB 1 115 VAL H . . 4.000 2.270 2.133 2.367 . 0 0 "[ . 1 . 2]" 1 1489 1 114 LEU QB 1 115 VAL HA . . 5.350 3.726 3.633 3.761 . 0 0 "[ . 1 . 2]" 1 1490 1 114 LEU QB 1 115 VAL QG . . 4.050 3.232 2.830 4.034 . 0 0 "[ . 1 . 2]" 1 1491 1 114 LEU HB2 1 115 VAL H . . 4.630 2.385 2.172 2.760 . 0 0 "[ . 1 . 2]" 1 1492 1 114 LEU HB2 1 115 VAL QG . . 4.730 3.532 2.974 4.736 0.006 6 0 "[ . 1 . 2]" 1 1493 1 114 LEU HB3 1 115 VAL H . . 4.630 2.933 2.548 3.128 . 0 0 "[ . 1 . 2]" 1 1494 1 114 LEU HB3 1 115 VAL QG . . 4.730 3.796 3.380 4.735 0.005 13 0 "[ . 1 . 2]" 1 1495 1 114 LEU QD 1 115 VAL H . . 4.440 3.789 3.588 3.865 . 0 0 "[ . 1 . 2]" 1 1496 1 114 LEU QD 1 116 ALA H . . 5.920 4.865 4.654 5.179 . 0 0 "[ . 1 . 2]" 1 1497 1 114 LEU MD1 1 115 VAL H . . 5.230 4.394 4.169 4.556 . 0 0 "[ . 1 . 2]" 1 1498 1 114 LEU MD2 1 115 VAL H . . 5.230 4.175 3.783 4.513 . 0 0 "[ . 1 . 2]" 1 1499 1 115 VAL H 1 115 VAL HB . . 3.920 3.176 2.156 3.611 . 0 0 "[ . 1 . 2]" 1 1500 1 115 VAL H 1 115 VAL QG . . 3.390 2.128 1.793 2.776 . 0 0 "[ . 1 . 2]" 1 1501 1 115 VAL H 1 116 ALA H . . 3.910 2.776 2.716 2.817 . 0 0 "[ . 1 . 2]" 1 1502 1 115 VAL H 1 116 ALA MB . . 4.520 4.408 4.337 4.489 . 0 0 "[ . 1 . 2]" 1 1503 1 115 VAL H 1 117 LEU H . . 5.280 4.474 4.322 4.611 . 0 0 "[ . 1 . 2]" 1 1504 1 115 VAL H 1 118 ALA H . . 5.480 5.181 5.090 5.314 . 0 0 "[ . 1 . 2]" 1 1505 1 115 VAL HA 1 117 LEU H . . 5.050 4.494 4.267 4.639 . 0 0 "[ . 1 . 2]" 1 1506 1 115 VAL HA 1 118 ALA H . . 4.220 3.688 3.526 3.894 . 0 0 "[ . 1 . 2]" 1 1507 1 115 VAL HA 1 118 ALA MB . . 4.230 3.180 3.044 3.445 . 0 0 "[ . 1 . 2]" 1 1508 1 115 VAL QG 1 116 ALA H . . 4.300 2.125 2.044 2.233 . 0 0 "[ . 1 . 2]" 1 1509 1 115 VAL QG 1 116 ALA HA . . 4.070 3.014 2.861 3.215 . 0 0 "[ . 1 . 2]" 1 1510 1 115 VAL QG 1 118 ALA H . . 4.950 4.661 4.455 4.775 . 0 0 "[ . 1 . 2]" 1 1511 1 115 VAL QG 1 118 ALA HA . . 6.000 6.314 5.869 6.527 0.527 4 3 "[ +. * . - 2]" 1 1512 1 115 VAL QG 1 118 ALA MB . . 4.920 4.094 3.630 4.356 . 0 0 "[ . 1 . 2]" 1 1513 1 115 VAL QG 1 119 LEU H . . 4.510 4.257 3.650 4.494 . 0 0 "[ . 1 . 2]" 1 1514 1 116 ALA H 1 116 ALA MB . . 3.280 2.170 2.129 2.239 . 0 0 "[ . 1 . 2]" 1 1515 1 116 ALA H 1 117 LEU H . . 4.020 2.683 2.576 2.729 . 0 0 "[ . 1 . 2]" 1 1516 1 116 ALA H 1 118 ALA H . . 4.920 4.365 4.188 4.487 . 0 0 "[ . 1 . 2]" 1 1517 1 116 ALA H 1 133 ILE MD . . 4.320 3.745 3.594 3.984 . 0 0 "[ . 1 . 2]" 1 1518 1 116 ALA H 1 141 ILE MD . . 4.430 4.022 3.876 4.393 . 0 0 "[ . 1 . 2]" 1 1519 1 116 ALA HA 1 119 LEU H . . 4.680 3.464 3.385 3.576 . 0 0 "[ . 1 . 2]" 1 1520 1 116 ALA HA 1 119 LEU QB . . 4.280 2.211 2.086 2.307 . 0 0 "[ . 1 . 2]" 1 1521 1 116 ALA HA 1 119 LEU HG . . 4.140 4.072 3.872 4.188 0.048 18 0 "[ . 1 . 2]" 1 1522 1 116 ALA HA 1 120 ILE MD . . 4.180 3.232 3.085 3.367 . 0 0 "[ . 1 . 2]" 1 1523 1 116 ALA HA 1 129 ALA MB . . 4.270 3.521 3.336 3.662 . 0 0 "[ . 1 . 2]" 1 1524 1 116 ALA HA 1 133 ILE MD . . 4.480 3.670 3.515 3.814 . 0 0 "[ . 1 . 2]" 1 1525 1 116 ALA HA 1 133 ILE HG12 . . 5.160 4.615 4.482 4.693 . 0 0 "[ . 1 . 2]" 1 1526 1 116 ALA HA 1 133 ILE HG13 . . 6.000 6.110 6.039 6.230 0.230 5 0 "[ . 1 . 2]" 1 1527 1 116 ALA MB 1 117 LEU H . . 3.440 2.533 2.379 2.679 . 0 0 "[ . 1 . 2]" 1 1528 1 116 ALA MB 1 117 LEU HB2 . . 4.160 4.057 3.923 4.106 . 0 0 "[ . 1 . 2]" 1 1529 1 116 ALA MB 1 118 ALA MB . . 5.610 5.512 5.420 5.579 . 0 0 "[ . 1 . 2]" 1 1530 1 116 ALA MB 1 119 LEU H . . 4.630 4.562 4.475 4.651 0.021 12 0 "[ . 1 . 2]" 1 1531 1 116 ALA MB 1 120 ILE MD . . 3.370 3.045 2.754 3.351 . 0 0 "[ . 1 . 2]" 1 1532 1 116 ALA MB 1 130 ILE MD . . 3.860 2.620 2.376 2.836 . 0 0 "[ . 1 . 2]" 1 1533 1 116 ALA MB 1 133 ILE MD . . 3.650 1.974 1.883 2.117 . 0 0 "[ . 1 . 2]" 1 1534 1 116 ALA MB 1 133 ILE HG12 . . 4.030 3.443 3.238 3.624 . 0 0 "[ . 1 . 2]" 1 1535 1 116 ALA MB 1 133 ILE HG13 . . 5.230 4.316 4.199 4.464 . 0 0 "[ . 1 . 2]" 1 1536 1 116 ALA MB 1 141 ILE MD . . 3.910 1.899 1.761 2.287 . 0 0 "[ . 1 . 2]" 1 1537 1 117 LEU H 1 117 LEU HB2 . . 3.590 2.325 2.280 2.397 . 0 0 "[ . 1 . 2]" 1 1538 1 117 LEU H 1 117 LEU HB3 . . 3.750 2.699 2.614 2.752 . 0 0 "[ . 1 . 2]" 1 1539 1 117 LEU H 1 117 LEU MD1 . . 4.770 4.240 4.189 4.265 . 0 0 "[ . 1 . 2]" 1 1540 1 117 LEU H 1 117 LEU MD2 . . 4.350 3.835 3.725 3.967 . 0 0 "[ . 1 . 2]" 1 1541 1 117 LEU H 1 118 ALA H . . 3.810 2.853 2.731 2.988 . 0 0 "[ . 1 . 2]" 1 1542 1 117 LEU H 1 120 ILE MD . . 5.560 4.737 4.516 4.929 . 0 0 "[ . 1 . 2]" 1 1543 1 117 LEU H 1 149 LEU QD . . 5.110 4.902 4.025 5.176 0.066 13 0 "[ . 1 . 2]" 1 1544 1 117 LEU HA 1 117 LEU MD2 . . 3.760 1.955 1.901 2.033 . 0 0 "[ . 1 . 2]" 1 1545 1 117 LEU HA 1 120 ILE H . . 4.220 3.869 3.773 4.015 . 0 0 "[ . 1 . 2]" 1 1546 1 117 LEU HA 1 120 ILE HB . . 4.510 3.273 3.034 3.441 . 0 0 "[ . 1 . 2]" 1 1547 1 117 LEU HA 1 120 ILE MD . . 4.760 4.001 3.826 4.235 . 0 0 "[ . 1 . 2]" 1 1548 1 117 LEU HA 1 121 GLU H . . 5.040 4.382 4.249 4.672 . 0 0 "[ . 1 . 2]" 1 1549 1 117 LEU HA 1 121 GLU QG . . 5.810 4.030 3.756 4.535 . 0 0 "[ . 1 . 2]" 1 1550 1 117 LEU HA 1 149 LEU QD . . 3.780 2.967 2.339 3.209 . 0 0 "[ . 1 . 2]" 1 1551 1 117 LEU HB2 1 118 ALA H . . 3.830 3.623 3.548 3.721 . 0 0 "[ . 1 . 2]" 1 1552 1 117 LEU HB3 1 118 ALA H . . 3.940 2.318 2.183 2.415 . 0 0 "[ . 1 . 2]" 1 1553 1 117 LEU HB3 1 118 ALA HA . . 6.000 4.106 4.046 4.173 . 0 0 "[ . 1 . 2]" 1 1554 1 117 LEU HB3 1 118 ALA MB . . 4.820 3.615 3.531 3.720 . 0 0 "[ . 1 . 2]" 1 1555 1 117 LEU MD1 1 118 ALA H . . 3.780 3.122 2.921 3.221 . 0 0 "[ . 1 . 2]" 1 1556 1 117 LEU MD1 1 118 ALA HA . . 5.020 2.889 2.730 2.981 . 0 0 "[ . 1 . 2]" 1 1557 1 117 LEU MD1 1 118 ALA MB . . 4.710 3.402 3.173 3.541 . 0 0 "[ . 1 . 2]" 1 1558 1 117 LEU MD1 1 121 GLU H . . 5.350 3.866 3.772 4.011 . 0 0 "[ . 1 . 2]" 1 1559 1 117 LEU MD1 1 121 GLU QG . . 4.970 2.071 1.905 2.330 . 0 0 "[ . 1 . 2]" 1 1560 1 117 LEU MD2 1 118 ALA H . . 4.720 4.379 4.219 4.454 . 0 0 "[ . 1 . 2]" 1 1561 1 117 LEU MD2 1 118 ALA MB . . 5.550 5.152 4.983 5.257 . 0 0 "[ . 1 . 2]" 1 1562 1 117 LEU MD2 1 120 ILE H . . 5.550 4.888 4.590 5.150 . 0 0 "[ . 1 . 2]" 1 1563 1 117 LEU MD2 1 120 ILE MD . . 4.940 4.796 4.625 4.953 0.013 20 0 "[ . 1 . 2]" 1 1564 1 117 LEU MD2 1 120 ILE MG . . 4.580 3.808 3.563 4.086 . 0 0 "[ . 1 . 2]" 1 1565 1 117 LEU MD2 1 121 GLU H . . 5.120 4.404 4.120 4.722 . 0 0 "[ . 1 . 2]" 1 1566 1 117 LEU MD2 1 121 GLU QG . . 4.840 3.068 2.700 3.424 . 0 0 "[ . 1 . 2]" 1 1567 1 117 LEU MD2 1 149 LEU QD . . 3.600 2.389 2.032 2.582 . 0 0 "[ . 1 . 2]" 1 1568 1 117 LEU MD2 1 149 LEU HG . . 5.500 4.473 4.080 4.754 . 0 0 "[ . 1 . 2]" 1 1569 1 117 LEU MD2 1 152 TYR QB . . 5.330 4.786 3.918 5.148 . 0 0 "[ . 1 . 2]" 1 1570 1 118 ALA H 1 118 ALA MB . . 3.120 2.124 2.040 2.199 . 0 0 "[ . 1 . 2]" 1 1571 1 118 ALA H 1 119 LEU H . . 3.780 2.585 2.550 2.643 . 0 0 "[ . 1 . 2]" 1 1572 1 118 ALA H 1 120 ILE H . . 5.010 4.328 4.136 4.452 . 0 0 "[ . 1 . 2]" 1 1573 1 118 ALA H 1 120 ILE MD . . 5.680 5.401 5.268 5.499 . 0 0 "[ . 1 . 2]" 1 1574 1 118 ALA H 1 121 GLU QG . . 5.630 4.734 4.312 5.278 . 0 0 "[ . 1 . 2]" 1 1575 1 118 ALA HA 1 120 ILE H . . 4.840 4.451 4.233 4.646 . 0 0 "[ . 1 . 2]" 1 1576 1 118 ALA HA 1 121 GLU QB . . 4.060 2.684 2.503 3.008 . 0 0 "[ . 1 . 2]" 1 1577 1 118 ALA HA 1 121 GLU QG . . 4.880 3.100 2.379 3.554 . 0 0 "[ . 1 . 2]" 1 1578 1 118 ALA HA 1 158 LEU MD2 . . 5.520 4.415 4.093 4.733 . 0 0 "[ . 1 . 2]" 1 1579 1 118 ALA HA 1 158 LEU HG . . 4.400 4.180 3.885 4.504 0.104 13 0 "[ . 1 . 2]" 1 1580 1 118 ALA MB 1 119 LEU H . . 3.620 2.678 2.545 2.780 . 0 0 "[ . 1 . 2]" 1 1581 1 118 ALA MB 1 119 LEU QB . . 4.440 3.945 3.889 4.019 . 0 0 "[ . 1 . 2]" 1 1582 1 118 ALA MB 1 120 ILE H . . 5.720 4.666 4.498 4.799 . 0 0 "[ . 1 . 2]" 1 1583 1 118 ALA MB 1 121 GLU H . . 4.800 4.690 4.536 4.808 0.008 12 0 "[ . 1 . 2]" 1 1584 1 118 ALA MB 1 121 GLU QG . . 5.180 4.418 3.950 4.803 . 0 0 "[ . 1 . 2]" 1 1585 1 118 ALA MB 1 122 SER H . . 4.930 4.708 4.506 4.934 0.004 7 0 "[ . 1 . 2]" 1 1586 1 118 ALA MB 1 158 LEU MD2 . . 4.560 4.165 3.809 4.394 . 0 0 "[ . 1 . 2]" 1 1587 1 118 ALA MB 1 158 LEU HG . . 3.830 3.838 3.663 3.969 0.139 10 0 "[ . 1 . 2]" 1 1588 1 119 LEU H 1 119 LEU HB2 . . 3.970 2.727 2.656 2.816 . 0 0 "[ . 1 . 2]" 1 1589 1 119 LEU H 1 119 LEU QB . . 3.120 2.183 2.148 2.209 . 0 0 "[ . 1 . 2]" 1 1590 1 119 LEU H 1 119 LEU HB3 . . 3.970 2.299 2.228 2.362 . 0 0 "[ . 1 . 2]" 1 1591 1 119 LEU H 1 119 LEU MD1 . . 4.840 4.167 4.123 4.208 . 0 0 "[ . 1 . 2]" 1 1592 1 119 LEU H 1 119 LEU HG . . 4.540 4.325 4.239 4.391 . 0 0 "[ . 1 . 2]" 1 1593 1 119 LEU H 1 120 ILE H . . 3.910 2.782 2.670 2.885 . 0 0 "[ . 1 . 2]" 1 1594 1 119 LEU H 1 120 ILE HA . . 5.690 5.367 5.284 5.443 . 0 0 "[ . 1 . 2]" 1 1595 1 119 LEU H 1 120 ILE MD . . 5.020 4.170 4.047 4.267 . 0 0 "[ . 1 . 2]" 1 1596 1 119 LEU H 1 122 SER H . . 5.330 4.739 4.625 4.850 . 0 0 "[ . 1 . 2]" 1 1597 1 119 LEU HA 1 119 LEU MD1 . . 3.860 2.227 2.121 2.360 . 0 0 "[ . 1 . 2]" 1 1598 1 119 LEU HA 1 122 SER H . . 4.800 3.600 3.453 3.682 . 0 0 "[ . 1 . 2]" 1 1599 1 119 LEU QB 1 120 ILE H . . 4.200 2.554 2.416 2.728 . 0 0 "[ . 1 . 2]" 1 1600 1 119 LEU QB 1 129 ALA MB . . 4.150 3.264 3.180 3.357 . 0 0 "[ . 1 . 2]" 1 1601 1 119 LEU MD1 1 120 ILE H . . 4.810 4.011 3.929 4.106 . 0 0 "[ . 1 . 2]" 1 1602 1 119 LEU MD1 1 120 ILE HA . . 4.140 3.843 3.671 3.918 . 0 0 "[ . 1 . 2]" 1 1603 1 119 LEU MD1 1 122 SER H . . 4.820 4.245 4.082 4.369 . 0 0 "[ . 1 . 2]" 1 1604 1 119 LEU MD1 1 122 SER QB . . 4.520 3.305 2.865 3.545 . 0 0 "[ . 1 . 2]" 1 1605 1 119 LEU MD1 1 124 MET H . . 5.090 3.722 3.538 3.960 . 0 0 "[ . 1 . 2]" 1 1606 1 119 LEU MD1 1 128 ASP QB . . 5.890 5.372 5.217 5.470 . 0 0 "[ . 1 . 2]" 1 1607 1 119 LEU HG 1 120 ILE H . . 4.400 3.219 3.094 3.377 . 0 0 "[ . 1 . 2]" 1 1608 1 119 LEU HG 1 124 MET H . . 5.310 4.632 4.428 4.871 . 0 0 "[ . 1 . 2]" 1 1609 1 119 LEU HG 1 128 ASP QB . . 6.000 5.916 5.793 6.009 0.009 13 0 "[ . 1 . 2]" 1 1610 1 119 LEU HG 1 129 ALA H . . 4.890 4.941 4.835 4.987 0.097 17 0 "[ . 1 . 2]" 1 1611 1 119 LEU HG 1 129 ALA HA . . 4.180 4.182 4.011 4.279 0.099 18 0 "[ . 1 . 2]" 1 1612 1 119 LEU HG 1 129 ALA MB . . 3.620 2.122 1.931 2.318 . 0 0 "[ . 1 . 2]" 1 1613 1 120 ILE H 1 120 ILE HB . . 3.650 2.195 2.167 2.227 . 0 0 "[ . 1 . 2]" 1 1614 1 120 ILE H 1 120 ILE MD . . 3.770 2.302 2.011 2.502 . 0 0 "[ . 1 . 2]" 1 1615 1 120 ILE H 1 120 ILE HG13 . . 4.030 4.035 3.955 4.089 0.059 8 0 "[ . 1 . 2]" 1 1616 1 120 ILE H 1 120 ILE MG . . 4.100 3.582 3.532 3.625 . 0 0 "[ . 1 . 2]" 1 1617 1 120 ILE H 1 124 MET H . . 5.830 4.975 4.824 5.111 . 0 0 "[ . 1 . 2]" 1 1618 1 120 ILE H 1 129 ALA MB . . 4.070 4.095 3.960 4.216 0.146 8 0 "[ . 1 . 2]" 1 1619 1 120 ILE HA 1 120 ILE MD . . 4.260 2.294 2.187 2.372 . 0 0 "[ . 1 . 2]" 1 1620 1 120 ILE HA 1 120 ILE MG . . 3.510 2.686 2.654 2.726 . 0 0 "[ . 1 . 2]" 1 1621 1 120 ILE HA 1 124 MET H . . 3.720 2.767 2.648 2.871 . 0 0 "[ . 1 . 2]" 1 1622 1 120 ILE HA 1 126 TYR HA . . 4.940 4.446 4.312 4.542 . 0 0 "[ . 1 . 2]" 1 1623 1 120 ILE HB 1 121 GLU H . . 3.840 2.735 2.642 2.939 . 0 0 "[ . 1 . 2]" 1 1624 1 120 ILE HB 1 122 SER H . . 5.120 4.821 4.754 5.011 . 0 0 "[ . 1 . 2]" 1 1625 1 120 ILE MD 1 120 ILE MG . . 3.380 3.254 3.244 3.256 . 0 0 "[ . 1 . 2]" 1 1626 1 120 ILE MD 1 121 GLU H . . 4.320 4.216 4.125 4.301 . 0 0 "[ . 1 . 2]" 1 1627 1 120 ILE MD 1 124 MET H . . 4.810 4.458 4.224 4.567 . 0 0 "[ . 1 . 2]" 1 1628 1 120 ILE MD 1 124 MET HA . . 5.280 5.215 4.846 5.360 0.080 19 0 "[ . 1 . 2]" 1 1629 1 120 ILE MD 1 124 MET HB2 . . 4.680 4.041 3.793 4.192 . 0 0 "[ . 1 . 2]" 1 1630 1 120 ILE MD 1 124 MET HB3 . . 4.640 2.843 2.524 3.104 . 0 0 "[ . 1 . 2]" 1 1631 1 120 ILE MD 1 124 MET QG . . 4.380 4.067 3.824 4.366 . 0 0 "[ . 1 . 2]" 1 1632 1 120 ILE MD 1 125 LYS H . . 5.650 4.841 4.400 4.986 . 0 0 "[ . 1 . 2]" 1 1633 1 120 ILE MD 1 126 TYR HA . . 3.920 2.081 1.969 2.196 . 0 0 "[ . 1 . 2]" 1 1634 1 120 ILE MD 1 126 TYR HB2 . . 4.280 3.705 3.576 3.842 . 0 0 "[ . 1 . 2]" 1 1635 1 120 ILE MD 1 126 TYR HB3 . . 4.900 4.623 4.514 4.749 . 0 0 "[ . 1 . 2]" 1 1636 1 120 ILE MD 1 126 TYR HD1 . . 4.330 3.654 3.523 3.789 . 0 0 "[ . 1 . 2]" 1 1637 1 120 ILE MD 1 127 GLU H . . 5.020 5.007 4.913 5.061 0.041 20 0 "[ . 1 . 2]" 1 1638 1 120 ILE MD 1 128 ASP H . . 5.510 5.439 5.302 5.508 . 0 0 "[ . 1 . 2]" 1 1639 1 120 ILE MD 1 128 ASP QB . . 4.960 4.938 4.806 5.006 0.046 1 0 "[ . 1 . 2]" 1 1640 1 120 ILE MD 1 129 ALA H . . 4.170 3.584 3.488 3.651 . 0 0 "[ . 1 . 2]" 1 1641 1 120 ILE MD 1 129 ALA HA . . 4.610 4.096 4.038 4.141 . 0 0 "[ . 1 . 2]" 1 1642 1 120 ILE MD 1 129 ALA MB . . 3.610 1.738 1.716 1.759 . 0 0 "[ . 1 . 2]" 1 1643 1 120 ILE HG13 1 121 GLU H . . 5.650 4.976 4.917 5.099 . 0 0 "[ . 1 . 2]" 1 1644 1 120 ILE HG13 1 124 MET H . . 5.690 4.705 4.544 4.870 . 0 0 "[ . 1 . 2]" 1 1645 1 120 ILE HG13 1 125 LYS H . . 4.960 5.052 4.976 5.102 0.142 10 0 "[ . 1 . 2]" 1 1646 1 120 ILE HG13 1 126 TYR HA . . 4.580 2.250 2.047 2.348 . 0 0 "[ . 1 . 2]" 1 1647 1 120 ILE HG13 1 126 TYR HD1 . . 5.540 4.816 4.489 5.040 . 0 0 "[ . 1 . 2]" 1 1648 1 120 ILE HG13 1 129 ALA MB . . 4.070 3.373 3.207 3.559 . 0 0 "[ . 1 . 2]" 1 1649 1 120 ILE MG 1 121 GLU H . . 4.090 2.579 2.455 2.871 . 0 0 "[ . 1 . 2]" 1 1650 1 120 ILE MG 1 121 GLU HA . . 4.650 2.853 2.790 2.968 . 0 0 "[ . 1 . 2]" 1 1651 1 120 ILE MG 1 121 GLU QG . . 4.520 2.506 2.282 2.630 . 0 0 "[ . 1 . 2]" 1 1652 1 120 ILE MG 1 123 GLY H . . 4.920 4.191 4.111 4.299 . 0 0 "[ . 1 . 2]" 1 1653 1 120 ILE MG 1 124 MET H . . 4.620 4.110 3.929 4.224 . 0 0 "[ . 1 . 2]" 1 1654 1 120 ILE MG 1 124 MET HB2 . . 5.420 5.443 5.377 5.507 0.087 16 0 "[ . 1 . 2]" 1 1655 1 120 ILE MG 1 124 MET HB3 . . 5.100 4.887 4.799 5.016 . 0 0 "[ . 1 . 2]" 1 1656 1 120 ILE MG 1 149 LEU HG . . 3.660 3.049 2.549 3.248 . 0 0 "[ . 1 . 2]" 1 1657 1 120 ILE MG 1 154 PRO QB . . 3.670 2.835 2.525 3.196 . 0 0 "[ . 1 . 2]" 1 1658 1 120 ILE MG 1 154 PRO HD3 . . 4.080 4.055 3.728 4.195 0.115 11 0 "[ . 1 . 2]" 1 1659 1 120 ILE MG 1 154 PRO QG . . 4.010 3.759 3.409 3.957 . 0 0 "[ . 1 . 2]" 1 1660 1 121 GLU H 1 121 GLU QB . . 3.580 2.481 2.247 2.732 . 0 0 "[ . 1 . 2]" 1 1661 1 121 GLU H 1 121 GLU HG2 . . 3.810 2.249 1.917 2.897 . 0 0 "[ . 1 . 2]" 1 1662 1 121 GLU H 1 121 GLU HG3 . . 3.810 3.164 2.308 3.346 . 0 0 "[ . 1 . 2]" 1 1663 1 121 GLU H 1 122 SER H . . 3.960 2.616 2.514 2.720 . 0 0 "[ . 1 . 2]" 1 1664 1 121 GLU H 1 123 GLY H . . 5.030 4.208 4.113 4.250 . 0 0 "[ . 1 . 2]" 1 1665 1 121 GLU H 1 124 MET H . . 6.000 4.875 4.763 4.938 . 0 0 "[ . 1 . 2]" 1 1666 1 121 GLU H 1 149 LEU QD . . 5.440 4.561 4.026 5.037 . 0 0 "[ . 1 . 2]" 1 1667 1 121 GLU H 1 158 LEU H . . 6.000 5.961 5.794 6.327 0.327 4 0 "[ . 1 . 2]" 1 1668 1 121 GLU H 1 158 LEU HG . . 5.840 5.645 5.188 5.877 0.037 9 0 "[ . 1 . 2]" 1 1669 1 121 GLU QB 1 122 SER H . . 4.280 3.003 2.743 3.150 . 0 0 "[ . 1 . 2]" 1 1670 1 121 GLU QB 1 123 GLY H . . 5.250 4.590 4.378 4.697 . 0 0 "[ . 1 . 2]" 1 1671 1 121 GLU QB 1 157 ARG H . . 4.600 3.617 3.197 4.324 . 0 0 "[ . 1 . 2]" 1 1672 1 121 GLU QB 1 158 LEU H . . 4.540 2.629 2.332 3.070 . 0 0 "[ . 1 . 2]" 1 1673 1 121 GLU QB 1 158 LEU MD2 . . 5.810 3.016 2.610 3.389 . 0 0 "[ . 1 . 2]" 1 1674 1 121 GLU QG 1 122 SER H . . 5.190 4.143 3.785 4.430 . 0 0 "[ . 1 . 2]" 1 1675 1 121 GLU QG 1 158 LEU HB2 . . 4.880 4.410 3.847 4.547 . 0 0 "[ . 1 . 2]" 1 1676 1 121 GLU QG 1 158 LEU HB3 . . 5.810 5.767 4.812 5.946 0.136 1 0 "[ . 1 . 2]" 1 1677 1 121 GLU QG 1 158 LEU HG . . 5.550 5.044 4.599 5.444 . 0 0 "[ . 1 . 2]" 1 1678 1 122 SER H 1 122 SER QB . . 3.770 2.136 2.058 2.270 . 0 0 "[ . 1 . 2]" 1 1679 1 122 SER H 1 123 GLY H . . 3.310 2.516 2.394 2.668 . 0 0 "[ . 1 . 2]" 1 1680 1 122 SER H 1 158 LEU HB2 . . 5.590 3.920 3.645 4.148 . 0 0 "[ . 1 . 2]" 1 1681 1 122 SER H 1 158 LEU HB3 . . 4.750 4.151 3.317 4.313 . 0 0 "[ . 1 . 2]" 1 1682 1 122 SER H 1 158 LEU MD2 . . 5.690 5.306 5.045 5.599 . 0 0 "[ . 1 . 2]" 1 1683 1 122 SER H 1 158 LEU HG . . 4.840 4.534 3.973 4.858 0.018 20 0 "[ . 1 . 2]" 1 1684 1 122 SER HA 1 123 GLY H . . 3.550 3.425 3.343 3.445 . 0 0 "[ . 1 . 2]" 1 1685 1 122 SER QB 1 123 GLY H . . 4.510 3.445 3.008 3.636 . 0 0 "[ . 1 . 2]" 1 1686 1 122 SER QB 1 158 LEU MD2 . . 5.830 4.958 4.776 5.071 . 0 0 "[ . 1 . 2]" 1 1687 1 123 GLY H 1 124 MET H . . 3.290 1.863 1.806 2.022 . 0 0 "[ . 1 . 2]" 1 1688 1 123 GLY H 1 124 MET HB3 . . 5.250 4.776 4.713 4.905 . 0 0 "[ . 1 . 2]" 1 1689 1 123 GLY H 1 158 LEU HB3 . . 5.650 5.045 4.410 5.284 . 0 0 "[ . 1 . 2]" 1 1690 1 124 MET H 1 124 MET HB3 . . 3.430 3.073 3.010 3.170 . 0 0 "[ . 1 . 2]" 1 1691 1 124 MET H 1 124 MET HG2 . . 5.070 4.788 4.725 4.875 . 0 0 "[ . 1 . 2]" 1 1692 1 124 MET H 1 124 MET QG . . 4.310 4.133 4.086 4.194 . 0 0 "[ . 1 . 2]" 1 1693 1 124 MET H 1 124 MET HG3 . . 5.070 4.517 4.466 4.598 . 0 0 "[ . 1 . 2]" 1 1694 1 124 MET H 1 125 LYS H . . 4.710 4.538 4.493 4.567 . 0 0 "[ . 1 . 2]" 1 1695 1 124 MET HA 1 124 MET QG . . 3.690 2.273 2.203 2.370 . 0 0 "[ . 1 . 2]" 1 1696 1 124 MET HA 1 125 LYS H . . 3.240 2.299 2.279 2.310 . 0 0 "[ . 1 . 2]" 1 1697 1 124 MET HA 1 125 LYS QE . . 5.540 4.895 4.644 5.143 . 0 0 "[ . 1 . 2]" 1 1698 1 124 MET HA 1 125 LYS QG . . 3.600 3.281 3.259 3.309 . 0 0 "[ . 1 . 2]" 1 1699 1 124 MET HA 1 129 ALA MB . . 5.130 4.969 4.834 5.083 . 0 0 "[ . 1 . 2]" 1 1700 1 124 MET HB2 1 125 LYS H . . 4.430 4.177 4.151 4.213 . 0 0 "[ . 1 . 2]" 1 1701 1 124 MET HB3 1 125 LYS H . . 4.130 3.253 3.193 3.351 . 0 0 "[ . 1 . 2]" 1 1702 1 124 MET HB3 1 129 ALA H . . 4.180 4.147 4.002 4.200 0.020 3 0 "[ . 1 . 2]" 1 1703 1 124 MET QG 1 125 LYS H . . 3.670 2.353 2.230 2.486 . 0 0 "[ . 1 . 2]" 1 1704 1 124 MET QG 1 128 ASP QB . . 4.620 3.176 2.996 3.322 . 0 0 "[ . 1 . 2]" 1 1705 1 124 MET QG 1 129 ALA HA . . 5.000 3.608 3.440 3.746 . 0 0 "[ . 1 . 2]" 1 1706 1 124 MET QG 1 129 ALA MB . . 4.030 2.851 2.711 3.029 . 0 0 "[ . 1 . 2]" 1 1707 1 124 MET HG2 1 125 LYS H . . 4.190 3.798 3.665 3.928 . 0 0 "[ . 1 . 2]" 1 1708 1 124 MET HG2 1 129 ALA H . . 4.380 4.193 3.935 4.366 . 0 0 "[ . 1 . 2]" 1 1709 1 124 MET HG2 1 129 ALA MB . . 4.700 2.934 2.773 3.134 . 0 0 "[ . 1 . 2]" 1 1710 1 124 MET HG3 1 125 LYS H . . 4.190 2.376 2.248 2.514 . 0 0 "[ . 1 . 2]" 1 1711 1 124 MET HG3 1 129 ALA H . . 4.380 4.316 4.070 4.402 0.022 3 0 "[ . 1 . 2]" 1 1712 1 124 MET HG3 1 129 ALA MB . . 4.700 3.891 3.565 4.026 . 0 0 "[ . 1 . 2]" 1 1713 1 125 LYS H 1 125 LYS HB2 . . 3.620 3.139 3.047 3.259 . 0 0 "[ . 1 . 2]" 1 1714 1 125 LYS H 1 125 LYS HB3 . . 3.950 3.427 3.345 3.470 . 0 0 "[ . 1 . 2]" 1 1715 1 125 LYS H 1 125 LYS QE . . 5.490 3.834 3.646 3.952 . 0 0 "[ . 1 . 2]" 1 1716 1 125 LYS H 1 125 LYS QG . . 3.540 1.766 1.730 1.802 . 0 0 "[ . 1 . 2]" 1 1717 1 125 LYS H 1 127 GLU H . . 5.990 5.865 5.774 6.011 0.021 13 0 "[ . 1 . 2]" 1 1718 1 125 LYS H 1 128 ASP H . . 4.690 4.740 4.650 4.829 0.139 12 0 "[ . 1 . 2]" 1 1719 1 125 LYS H 1 128 ASP QB . . 4.180 3.122 3.033 3.225 . 0 0 "[ . 1 . 2]" 1 1720 1 125 LYS H 1 129 ALA H . . 5.260 4.072 3.937 4.132 . 0 0 "[ . 1 . 2]" 1 1721 1 125 LYS HA 1 126 TYR HB3 . . 6.000 4.282 4.250 4.356 . 0 0 "[ . 1 . 2]" 1 1722 1 125 LYS HA 1 127 GLU H . . 4.850 4.320 4.230 4.488 . 0 0 "[ . 1 . 2]" 1 1723 1 125 LYS HA 1 128 ASP H . . 4.750 4.703 4.633 4.780 0.030 6 0 "[ . 1 . 2]" 1 1724 1 125 LYS HB2 1 126 TYR H . . 4.950 3.530 3.346 3.636 . 0 0 "[ . 1 . 2]" 1 1725 1 125 LYS HB2 1 128 ASP H . . 3.440 2.145 2.081 2.210 . 0 0 "[ . 1 . 2]" 1 1726 1 125 LYS HB2 1 128 ASP QB . . 4.540 2.180 2.002 2.411 . 0 0 "[ . 1 . 2]" 1 1727 1 125 LYS HB2 1 129 ALA H . . 3.980 3.623 3.484 3.733 . 0 0 "[ . 1 . 2]" 1 1728 1 125 LYS HB3 1 125 LYS QE . . 4.790 3.006 2.195 4.100 . 0 0 "[ . 1 . 2]" 1 1729 1 125 LYS HB3 1 126 TYR H . . 5.400 3.386 3.033 3.596 . 0 0 "[ . 1 . 2]" 1 1730 1 125 LYS HB3 1 127 GLU H . . 4.360 4.013 3.859 4.220 . 0 0 "[ . 1 . 2]" 1 1731 1 125 LYS HB3 1 128 ASP H . . 3.890 3.755 3.641 3.904 0.014 18 0 "[ . 1 . 2]" 1 1732 1 125 LYS HB3 1 128 ASP QB . . 4.890 3.586 3.430 3.705 . 0 0 "[ . 1 . 2]" 1 1733 1 125 LYS HB3 1 129 ALA H . . 5.030 5.195 5.070 5.286 0.256 17 0 "[ . 1 . 2]" 1 1734 1 125 LYS QE 1 128 ASP H . . 5.790 5.448 4.993 5.790 0.000 4 0 "[ . 1 . 2]" 1 1735 1 125 LYS QG 1 126 TYR H . . 5.150 4.582 4.479 4.614 . 0 0 "[ . 1 . 2]" 1 1736 1 125 LYS QG 1 128 ASP H . . 5.110 3.653 3.510 3.752 . 0 0 "[ . 1 . 2]" 1 1737 1 125 LYS QG 1 162 ASP H . . 4.780 4.617 4.177 4.814 0.034 16 0 "[ . 1 . 2]" 1 1738 1 126 TYR H 1 126 TYR HD1 . . 5.250 5.017 4.968 5.052 . 0 0 "[ . 1 . 2]" 1 1739 1 126 TYR H 1 128 ASP H . . 5.690 4.495 4.275 4.583 . 0 0 "[ . 1 . 2]" 1 1740 1 126 TYR HA 1 126 TYR HE1 . . 5.830 5.294 5.180 5.388 . 0 0 "[ . 1 . 2]" 1 1741 1 126 TYR HA 1 128 ASP H . . 5.240 4.925 4.856 4.971 . 0 0 "[ . 1 . 2]" 1 1742 1 126 TYR HA 1 129 ALA H . . 4.550 4.001 3.967 4.037 . 0 0 "[ . 1 . 2]" 1 1743 1 126 TYR HA 1 129 ALA MB . . 4.110 2.896 2.804 3.053 . 0 0 "[ . 1 . 2]" 1 1744 1 126 TYR HA 1 149 LEU QB . . 4.660 4.277 4.179 4.339 . 0 0 "[ . 1 . 2]" 1 1745 1 126 TYR HB2 1 126 TYR HE1 . . 4.980 4.785 4.766 4.811 . 0 0 "[ . 1 . 2]" 1 1746 1 126 TYR HB2 1 127 GLU H . . 4.460 3.977 3.913 4.020 . 0 0 "[ . 1 . 2]" 1 1747 1 126 TYR HB2 1 130 ILE MD . . 4.890 4.439 4.297 4.610 . 0 0 "[ . 1 . 2]" 1 1748 1 126 TYR HB2 1 149 LEU QB . . 4.830 2.750 2.664 2.808 . 0 0 "[ . 1 . 2]" 1 1749 1 126 TYR HB2 1 149 LEU QD . . 5.710 1.999 1.961 2.112 . 0 0 "[ . 1 . 2]" 1 1750 1 126 TYR HB2 1 149 LEU HG . . 4.190 2.486 1.939 2.580 . 0 0 "[ . 1 . 2]" 1 1751 1 126 TYR HB2 1 150 GLU H . . 5.710 5.527 5.027 5.823 0.113 13 0 "[ . 1 . 2]" 1 1752 1 126 TYR HB3 1 127 GLU H . . 3.960 2.799 2.656 2.903 . 0 0 "[ . 1 . 2]" 1 1753 1 126 TYR HB3 1 128 ASP H . . 6.000 5.392 5.190 5.504 . 0 0 "[ . 1 . 2]" 1 1754 1 126 TYR HB3 1 130 ILE MD . . 5.870 5.366 5.257 5.449 . 0 0 "[ . 1 . 2]" 1 1755 1 126 TYR HB3 1 149 LEU QB . . 4.770 3.963 3.852 4.070 . 0 0 "[ . 1 . 2]" 1 1756 1 126 TYR HB3 1 149 LEU QD . . 5.920 2.910 2.836 2.980 . 0 0 "[ . 1 . 2]" 1 1757 1 126 TYR HB3 1 149 LEU HG . . 4.310 4.237 3.692 4.336 0.026 9 0 "[ . 1 . 2]" 1 1758 1 126 TYR HD1 1 127 GLU H . . 4.540 4.563 4.534 4.622 0.082 13 0 "[ . 1 . 2]" 1 1759 1 126 TYR HD1 1 127 GLU HA . . 4.830 4.472 4.393 4.646 . 0 0 "[ . 1 . 2]" 1 1760 1 126 TYR HD1 1 127 GLU QG . . 4.950 4.970 4.932 5.020 0.070 13 0 "[ . 1 . 2]" 1 1761 1 126 TYR HD1 1 129 ALA H . . 6.000 6.056 5.978 6.115 0.115 13 0 "[ . 1 . 2]" 1 1762 1 126 TYR HD1 1 130 ILE H . . 5.060 4.469 4.400 4.578 . 0 0 "[ . 1 . 2]" 1 1763 1 126 TYR HD1 1 130 ILE MD . . 3.820 2.609 2.467 2.764 . 0 0 "[ . 1 . 2]" 1 1764 1 126 TYR HD1 1 146 LEU QD . . 4.710 4.366 4.040 4.571 . 0 0 "[ . 1 . 2]" 1 1765 1 126 TYR HD1 1 149 LEU H . . 5.160 4.940 4.776 5.028 . 0 0 "[ . 1 . 2]" 1 1766 1 126 TYR HD1 1 149 LEU HA . . 5.660 5.304 5.203 5.458 . 0 0 "[ . 1 . 2]" 1 1767 1 126 TYR HD1 1 149 LEU QB . . 5.340 2.407 2.287 2.497 . 0 0 "[ . 1 . 2]" 1 1768 1 126 TYR HD1 1 149 LEU QD . . 4.280 3.449 3.380 3.556 . 0 0 "[ . 1 . 2]" 1 1769 1 126 TYR HD1 1 149 LEU HG . . 4.540 2.925 2.717 3.160 . 0 0 "[ . 1 . 2]" 1 1770 1 126 TYR HD1 1 150 GLU HB2 . . 6.000 5.838 5.474 6.159 0.159 13 0 "[ . 1 . 2]" 1 1771 1 126 TYR HE1 1 127 GLU QG . . 5.320 4.957 4.776 5.244 . 0 0 "[ . 1 . 2]" 1 1772 1 126 TYR HE1 1 130 ILE MD . . 4.050 3.313 3.099 3.399 . 0 0 "[ . 1 . 2]" 1 1773 1 126 TYR HE1 1 130 ILE MG . . 5.130 3.585 3.498 3.703 . 0 0 "[ . 1 . 2]" 1 1774 1 126 TYR HE1 1 149 LEU H . . 5.170 4.779 4.547 4.932 . 0 0 "[ . 1 . 2]" 1 1775 1 126 TYR HE1 1 149 LEU QB . . 5.320 3.313 3.258 3.423 . 0 0 "[ . 1 . 2]" 1 1776 1 126 TYR HE1 1 149 LEU HG . . 5.670 4.975 4.883 5.169 . 0 0 "[ . 1 . 2]" 1 1777 1 126 TYR HE1 1 150 GLU H . . 5.130 4.438 4.173 4.853 . 0 0 "[ . 1 . 2]" 1 1778 1 126 TYR HE1 1 150 GLU HA . . 5.470 5.091 4.775 5.446 . 0 0 "[ . 1 . 2]" 1 1779 1 126 TYR HE1 1 150 GLU QG . . 5.810 4.996 4.383 5.499 . 0 0 "[ . 1 . 2]" 1 1780 1 127 GLU H 1 127 GLU QB . . 3.250 2.449 2.357 2.558 . 0 0 "[ . 1 . 2]" 1 1781 1 127 GLU H 1 127 GLU HG2 . . 4.340 2.911 2.439 3.573 . 0 0 "[ . 1 . 2]" 1 1782 1 127 GLU H 1 127 GLU QG . . 3.760 2.357 2.031 2.543 . 0 0 "[ . 1 . 2]" 1 1783 1 127 GLU H 1 127 GLU HG3 . . 4.340 2.528 2.045 2.751 . 0 0 "[ . 1 . 2]" 1 1784 1 127 GLU H 1 128 ASP H . . 3.670 2.850 2.774 2.906 . 0 0 "[ . 1 . 2]" 1 1785 1 127 GLU H 1 128 ASP QB . . 4.940 4.476 4.397 4.555 . 0 0 "[ . 1 . 2]" 1 1786 1 127 GLU H 1 129 ALA H . . 4.860 4.442 4.404 4.476 . 0 0 "[ . 1 . 2]" 1 1787 1 127 GLU H 1 129 ALA MB . . 5.490 4.871 4.826 4.966 . 0 0 "[ . 1 . 2]" 1 1788 1 127 GLU H 1 130 ILE H . . 5.410 4.735 4.708 4.771 . 0 0 "[ . 1 . 2]" 1 1789 1 127 GLU H 1 130 ILE MD . . 5.200 5.228 5.139 5.280 0.080 14 0 "[ . 1 . 2]" 1 1790 1 127 GLU H 1 149 LEU QB . . 6.000 5.750 5.691 5.859 . 0 0 "[ . 1 . 2]" 1 1791 1 127 GLU HA 1 127 GLU QG . . 3.730 2.344 2.247 2.518 . 0 0 "[ . 1 . 2]" 1 1792 1 127 GLU HA 1 129 ALA H . . 5.680 4.824 4.778 4.865 . 0 0 "[ . 1 . 2]" 1 1793 1 127 GLU HA 1 130 ILE H . . 4.900 3.688 3.647 3.723 . 0 0 "[ . 1 . 2]" 1 1794 1 127 GLU HA 1 130 ILE HB . . 4.200 2.682 2.568 2.778 . 0 0 "[ . 1 . 2]" 1 1795 1 127 GLU HA 1 130 ILE MD . . 4.330 4.433 4.365 4.501 0.171 10 0 "[ . 1 . 2]" 1 1796 1 127 GLU HA 1 130 ILE HG12 . . 5.100 3.143 3.064 3.246 . 0 0 "[ . 1 . 2]" 1 1797 1 127 GLU HA 1 130 ILE HG13 . . 5.100 4.449 4.381 4.523 . 0 0 "[ . 1 . 2]" 1 1798 1 127 GLU HA 1 130 ILE MG . . 4.360 3.941 3.821 4.033 . 0 0 "[ . 1 . 2]" 1 1799 1 127 GLU HA 1 131 GLN H . . 4.360 3.909 3.721 4.064 . 0 0 "[ . 1 . 2]" 1 1800 1 127 GLU QB 1 128 ASP H . . 3.460 2.255 2.182 2.348 . 0 0 "[ . 1 . 2]" 1 1801 1 127 GLU QB 1 128 ASP QB . . 4.670 3.758 3.699 3.836 . 0 0 "[ . 1 . 2]" 1 1802 1 127 GLU QG 1 128 ASP H . . 4.610 3.924 3.765 4.021 . 0 0 "[ . 1 . 2]" 1 1803 1 128 ASP H 1 128 ASP QB . . 3.130 2.101 2.051 2.158 . 0 0 "[ . 1 . 2]" 1 1804 1 128 ASP H 1 129 ALA H . . 3.240 2.975 2.963 2.991 . 0 0 "[ . 1 . 2]" 1 1805 1 128 ASP H 1 129 ALA MB . . 4.680 4.488 4.468 4.539 . 0 0 "[ . 1 . 2]" 1 1806 1 128 ASP H 1 130 ILE H . . 4.490 4.338 4.292 4.381 . 0 0 "[ . 1 . 2]" 1 1807 1 128 ASP H 1 131 GLN HG2 . . 5.150 5.197 5.163 5.236 0.086 17 0 "[ . 1 . 2]" 1 1808 1 128 ASP HA 1 130 ILE MG . . 5.960 6.036 5.931 6.160 0.200 13 0 "[ . 1 . 2]" 1 1809 1 128 ASP HA 1 131 GLN H . . 4.060 3.828 3.754 3.922 . 0 0 "[ . 1 . 2]" 1 1810 1 128 ASP HA 1 131 GLN QB . . 3.960 2.898 2.822 2.964 . 0 0 "[ . 1 . 2]" 1 1811 1 128 ASP HA 1 131 GLN HG3 . . 5.320 5.151 5.074 5.299 . 0 0 "[ . 1 . 2]" 1 1812 1 128 ASP QB 1 129 ALA H . . 3.470 2.257 2.199 2.365 . 0 0 "[ . 1 . 2]" 1 1813 1 128 ASP QB 1 129 ALA MB . . 4.900 3.670 3.638 3.694 . 0 0 "[ . 1 . 2]" 1 1814 1 128 ASP QB 1 130 ILE H . . 4.650 4.633 4.592 4.674 0.024 12 0 "[ . 1 . 2]" 1 1815 1 128 ASP QB 1 131 GLN H . . 5.290 5.221 5.176 5.265 . 0 0 "[ . 1 . 2]" 1 1816 1 129 ALA H 1 129 ALA MB . . 3.130 2.142 2.095 2.231 . 0 0 "[ . 1 . 2]" 1 1817 1 129 ALA H 1 130 ILE H . . 3.610 2.860 2.838 2.890 . 0 0 "[ . 1 . 2]" 1 1818 1 129 ALA H 1 130 ILE MD . . 4.200 4.258 4.211 4.304 0.104 10 0 "[ . 1 . 2]" 1 1819 1 129 ALA H 1 131 GLN H . . 4.980 4.576 4.539 4.627 . 0 0 "[ . 1 . 2]" 1 1820 1 129 ALA HA 1 131 GLN H . . 4.900 4.851 4.798 4.897 . 0 0 "[ . 1 . 2]" 1 1821 1 129 ALA HA 1 132 PHE HB2 . . 4.490 3.146 2.957 3.224 . 0 0 "[ . 1 . 2]" 1 1822 1 129 ALA HA 1 132 PHE HB3 . . 4.470 3.103 2.999 3.202 . 0 0 "[ . 1 . 2]" 1 1823 1 129 ALA HA 1 133 ILE H . . 4.780 4.193 4.128 4.248 . 0 0 "[ . 1 . 2]" 1 1824 1 129 ALA MB 1 130 ILE H . . 3.870 2.517 2.402 2.573 . 0 0 "[ . 1 . 2]" 1 1825 1 129 ALA MB 1 130 ILE HA . . 4.740 3.738 3.697 3.791 . 0 0 "[ . 1 . 2]" 1 1826 1 129 ALA MB 1 132 PHE H . . 4.640 4.552 4.510 4.590 . 0 0 "[ . 1 . 2]" 1 1827 1 129 ALA MB 1 132 PHE HB2 . . 5.000 4.638 4.491 4.705 . 0 0 "[ . 1 . 2]" 1 1828 1 129 ALA MB 1 132 PHE HB3 . . 4.500 4.209 4.110 4.295 . 0 0 "[ . 1 . 2]" 1 1829 1 130 ILE H 1 130 ILE HB . . 3.380 2.446 2.407 2.480 . 0 0 "[ . 1 . 2]" 1 1830 1 130 ILE H 1 130 ILE MD . . 3.400 2.129 2.075 2.194 . 0 0 "[ . 1 . 2]" 1 1831 1 130 ILE H 1 130 ILE HG12 . . 4.070 2.805 2.700 2.920 . 0 0 "[ . 1 . 2]" 1 1832 1 130 ILE H 1 130 ILE QG . . 3.420 2.748 2.653 2.851 . 0 0 "[ . 1 . 2]" 1 1833 1 130 ILE H 1 130 ILE HG13 . . 4.070 3.945 3.900 3.997 . 0 0 "[ . 1 . 2]" 1 1834 1 130 ILE H 1 130 ILE MG . . 4.340 3.748 3.737 3.756 . 0 0 "[ . 1 . 2]" 1 1835 1 130 ILE H 1 131 GLN H . . 3.670 2.928 2.899 2.956 . 0 0 "[ . 1 . 2]" 1 1836 1 130 ILE H 1 131 GLN QB . . 4.890 4.665 4.612 4.710 . 0 0 "[ . 1 . 2]" 1 1837 1 130 ILE H 1 131 GLN HG2 . . 5.740 5.732 5.646 5.797 0.057 16 0 "[ . 1 . 2]" 1 1838 1 130 ILE H 1 132 PHE HB3 . . 5.640 5.292 5.199 5.366 . 0 0 "[ . 1 . 2]" 1 1839 1 130 ILE H 1 146 LEU QD . . 5.270 5.050 4.928 5.176 . 0 0 "[ . 1 . 2]" 1 1840 1 130 ILE HA 1 130 ILE MD . . 3.330 1.754 1.737 1.775 . 0 0 "[ . 1 . 2]" 1 1841 1 130 ILE HA 1 130 ILE MG . . 3.680 2.467 2.446 2.502 . 0 0 "[ . 1 . 2]" 1 1842 1 130 ILE HA 1 132 PHE H . . 4.410 4.093 4.022 4.191 . 0 0 "[ . 1 . 2]" 1 1843 1 130 ILE HA 1 133 ILE MD . . 3.930 2.640 2.418 2.811 . 0 0 "[ . 1 . 2]" 1 1844 1 130 ILE HA 1 133 ILE HG12 . . 4.260 2.604 2.383 2.765 . 0 0 "[ . 1 . 2]" 1 1845 1 130 ILE HA 1 133 ILE HG13 . . 4.220 2.634 2.477 2.907 . 0 0 "[ . 1 . 2]" 1 1846 1 130 ILE HA 1 134 ARG H . . 5.070 3.995 3.930 4.085 . 0 0 "[ . 1 . 2]" 1 1847 1 130 ILE HB 1 130 ILE MD . . 3.750 3.034 2.995 3.071 . 0 0 "[ . 1 . 2]" 1 1848 1 130 ILE HB 1 131 GLN H . . 3.560 2.335 2.289 2.373 . 0 0 "[ . 1 . 2]" 1 1849 1 130 ILE HB 1 131 GLN QB . . 4.580 4.418 4.373 4.458 . 0 0 "[ . 1 . 2]" 1 1850 1 130 ILE HB 1 146 LEU QD . . 5.090 3.671 3.503 3.785 . 0 0 "[ . 1 . 2]" 1 1851 1 130 ILE MD 1 131 GLN H . . 4.770 4.180 4.167 4.198 . 0 0 "[ . 1 . 2]" 1 1852 1 130 ILE MD 1 146 LEU HA . . 4.560 4.010 3.625 4.141 . 0 0 "[ . 1 . 2]" 1 1853 1 130 ILE QG 1 130 ILE MG . . 3.240 2.068 1.983 2.086 . 0 0 "[ . 1 . 2]" 1 1854 1 130 ILE QG 1 131 GLN HE22 . . 4.770 3.940 3.828 4.032 . 0 0 "[ . 1 . 2]" 1 1855 1 130 ILE QG 1 146 LEU H . . 5.810 5.352 4.883 5.719 . 0 0 "[ . 1 . 2]" 1 1856 1 130 ILE QG 1 146 LEU HG . . 5.060 2.765 1.981 3.380 . 0 0 "[ . 1 . 2]" 1 1857 1 130 ILE MG 1 131 GLN H . . 3.580 2.856 2.753 2.935 . 0 0 "[ . 1 . 2]" 1 1858 1 130 ILE MG 1 131 GLN HA . . 4.410 3.013 2.931 3.087 . 0 0 "[ . 1 . 2]" 1 1859 1 130 ILE MG 1 131 GLN QB . . 4.470 4.266 4.179 4.336 . 0 0 "[ . 1 . 2]" 1 1860 1 130 ILE MG 1 131 GLN HE22 . . 5.230 2.322 2.083 2.474 . 0 0 "[ . 1 . 2]" 1 1861 1 130 ILE MG 1 131 GLN HG2 . . 5.060 4.639 4.456 4.767 . 0 0 "[ . 1 . 2]" 1 1862 1 130 ILE MG 1 131 GLN HG3 . . 5.030 4.784 4.649 4.891 . 0 0 "[ . 1 . 2]" 1 1863 1 130 ILE MG 1 132 PHE H . . 4.510 4.513 4.413 4.602 0.092 12 0 "[ . 1 . 2]" 1 1864 1 130 ILE MG 1 133 ILE H . . 5.310 4.988 4.904 5.038 . 0 0 "[ . 1 . 2]" 1 1865 1 130 ILE MG 1 133 ILE HG12 . . 4.830 4.391 4.155 4.586 . 0 0 "[ . 1 . 2]" 1 1866 1 130 ILE MG 1 133 ILE HG13 . . 3.970 3.597 3.499 3.716 . 0 0 "[ . 1 . 2]" 1 1867 1 130 ILE MG 1 134 ARG H . . 4.230 3.985 3.922 4.060 . 0 0 "[ . 1 . 2]" 1 1868 1 130 ILE MG 1 134 ARG HA . . 4.840 4.485 4.376 4.665 . 0 0 "[ . 1 . 2]" 1 1869 1 130 ILE MG 1 135 GLN H . . 5.340 5.163 5.051 5.352 0.012 16 0 "[ . 1 . 2]" 1 1870 1 130 ILE MG 1 146 LEU HG . . 4.670 2.894 2.428 3.327 . 0 0 "[ . 1 . 2]" 1 1871 1 131 GLN H 1 131 GLN QB . . 3.080 2.324 2.307 2.350 . 0 0 "[ . 1 . 2]" 1 1872 1 131 GLN H 1 131 GLN HG2 . . 3.810 3.221 3.138 3.282 . 0 0 "[ . 1 . 2]" 1 1873 1 131 GLN H 1 131 GLN HG3 . . 4.500 4.023 3.990 4.046 . 0 0 "[ . 1 . 2]" 1 1874 1 131 GLN H 1 132 PHE H . . 3.600 2.795 2.764 2.817 . 0 0 "[ . 1 . 2]" 1 1875 1 131 GLN H 1 132 PHE HB3 . . 5.510 5.270 5.189 5.319 . 0 0 "[ . 1 . 2]" 1 1876 1 131 GLN H 1 133 ILE H . . 4.980 4.937 4.839 4.983 0.003 16 0 "[ . 1 . 2]" 1 1877 1 131 GLN H 1 133 ILE HG12 . . 5.600 5.327 5.189 5.470 . 0 0 "[ . 1 . 2]" 1 1878 1 131 GLN H 1 135 GLN H . . 5.830 5.656 5.586 5.872 0.042 16 0 "[ . 1 . 2]" 1 1879 1 131 GLN HA 1 131 GLN HG2 . . 4.250 3.614 3.609 3.629 . 0 0 "[ . 1 . 2]" 1 1880 1 131 GLN HA 1 133 ILE H . . 5.360 5.202 5.109 5.249 . 0 0 "[ . 1 . 2]" 1 1881 1 131 GLN HA 1 134 ARG H . . 4.480 3.662 3.618 3.714 . 0 0 "[ . 1 . 2]" 1 1882 1 131 GLN QB 1 132 PHE H . . 3.470 2.776 2.714 2.833 . 0 0 "[ . 1 . 2]" 1 1883 1 131 GLN QB 1 132 PHE HA . . 4.570 3.903 3.877 3.929 . 0 0 "[ . 1 . 2]" 1 1884 1 131 GLN QB 1 132 PHE HB2 . . 4.820 4.185 4.140 4.236 . 0 0 "[ . 1 . 2]" 1 1885 1 131 GLN QB 1 133 ILE H . . 5.480 5.257 5.199 5.310 . 0 0 "[ . 1 . 2]" 1 1886 1 131 GLN HG2 1 132 PHE H . . 4.930 4.949 4.921 4.979 0.049 4 0 "[ . 1 . 2]" 1 1887 1 131 GLN HG3 1 132 PHE H . . 5.450 5.312 5.264 5.361 . 0 0 "[ . 1 . 2]" 1 1888 1 132 PHE H 1 132 PHE HB2 . . 3.320 2.390 2.349 2.441 . 0 0 "[ . 1 . 2]" 1 1889 1 132 PHE H 1 132 PHE HB3 . . 3.370 2.697 2.636 2.732 . 0 0 "[ . 1 . 2]" 1 1890 1 132 PHE H 1 132 PHE HD2 . . 5.280 4.974 4.930 4.998 . 0 0 "[ . 1 . 2]" 1 1891 1 132 PHE H 1 133 ILE H . . 3.750 2.895 2.829 2.976 . 0 0 "[ . 1 . 2]" 1 1892 1 132 PHE HA 1 132 PHE HD2 . . 4.590 4.523 4.483 4.581 . 0 0 "[ . 1 . 2]" 1 1893 1 132 PHE HA 1 133 ILE HA . . 5.630 4.718 4.704 4.737 . 0 0 "[ . 1 . 2]" 1 1894 1 132 PHE HA 1 135 GLN H . . 4.260 3.611 3.540 3.675 . 0 0 "[ . 1 . 2]" 1 1895 1 132 PHE HA 1 135 GLN HG2 . . 5.360 2.376 1.990 4.242 . 0 0 "[ . 1 . 2]" 1 1896 1 132 PHE HA 1 135 GLN QG . . 4.560 2.319 1.971 3.888 . 0 0 "[ . 1 . 2]" 1 1897 1 132 PHE HA 1 135 GLN HG3 . . 5.360 3.648 2.837 4.614 . 0 0 "[ . 1 . 2]" 1 1898 1 132 PHE HB2 1 133 ILE H . . 4.120 3.441 3.405 3.494 . 0 0 "[ . 1 . 2]" 1 1899 1 132 PHE HB3 1 133 ILE H . . 3.970 1.991 1.949 2.071 . 0 0 "[ . 1 . 2]" 1 1900 1 132 PHE HB3 1 133 ILE MD . . 5.250 5.110 5.030 5.270 0.020 5 0 "[ . 1 . 2]" 1 1901 1 132 PHE HB3 1 134 ARG H . . 4.440 4.255 4.237 4.289 . 0 0 "[ . 1 . 2]" 1 1902 1 132 PHE HD2 1 133 ILE H . . 5.170 3.712 3.646 3.812 . 0 0 "[ . 1 . 2]" 1 1903 1 133 ILE H 1 133 ILE HB . . 3.750 3.606 3.595 3.615 . 0 0 "[ . 1 . 2]" 1 1904 1 133 ILE H 1 133 ILE MD . . 3.900 3.773 3.717 3.876 . 0 0 "[ . 1 . 2]" 1 1905 1 133 ILE H 1 133 ILE HG12 . . 3.860 2.231 2.177 2.379 . 0 0 "[ . 1 . 2]" 1 1906 1 133 ILE H 1 133 ILE HG13 . . 4.110 2.614 2.483 2.886 . 0 0 "[ . 1 . 2]" 1 1907 1 133 ILE H 1 134 ARG H . . 4.020 2.625 2.599 2.652 . 0 0 "[ . 1 . 2]" 1 1908 1 133 ILE H 1 135 GLN H . . 4.640 4.393 4.106 4.482 . 0 0 "[ . 1 . 2]" 1 1909 1 133 ILE HA 1 134 ARG HA . . 6.000 4.667 4.636 4.686 . 0 0 "[ . 1 . 2]" 1 1910 1 133 ILE HA 1 135 GLN H . . 4.960 4.534 4.014 4.653 . 0 0 "[ . 1 . 2]" 1 1911 1 133 ILE HA 1 136 LYS H . . 4.600 3.629 3.423 3.765 . 0 0 "[ . 1 . 2]" 1 1912 1 133 ILE HA 1 136 LYS QB . . 4.730 3.515 2.906 4.065 . 0 0 "[ . 1 . 2]" 1 1913 1 133 ILE HA 1 136 LYS QD . . 4.960 3.041 1.962 3.741 . 0 0 "[ . 1 . 2]" 1 1914 1 133 ILE HA 1 136 LYS QE . . 5.750 3.289 2.669 3.684 . 0 0 "[ . 1 . 2]" 1 1915 1 133 ILE HA 1 136 LYS QG . . 4.520 1.923 1.870 2.041 . 0 0 "[ . 1 . 2]" 1 1916 1 133 ILE HA 1 140 ALA MB . . 5.130 4.266 4.023 4.380 . 0 0 "[ . 1 . 2]" 1 1917 1 133 ILE HB 1 133 ILE MD . . 3.610 2.288 2.262 2.304 . 0 0 "[ . 1 . 2]" 1 1918 1 133 ILE HB 1 134 ARG H . . 4.300 4.041 3.963 4.139 . 0 0 "[ . 1 . 2]" 1 1919 1 133 ILE HB 1 136 LYS QG . . 4.490 3.615 3.319 3.922 . 0 0 "[ . 1 . 2]" 1 1920 1 133 ILE HB 1 140 ALA MB . . 4.730 2.980 2.806 3.147 . 0 0 "[ . 1 . 2]" 1 1921 1 133 ILE MD 1 134 ARG HA . . 5.490 4.287 4.183 4.348 . 0 0 "[ . 1 . 2]" 1 1922 1 133 ILE MD 1 140 ALA MB . . 3.580 2.613 2.305 2.877 . 0 0 "[ . 1 . 2]" 1 1923 1 133 ILE HG12 1 134 ARG H . . 4.700 3.641 3.358 3.769 . 0 0 "[ . 1 . 2]" 1 1924 1 133 ILE HG13 1 134 ARG H . . 5.070 2.460 2.354 2.582 . 0 0 "[ . 1 . 2]" 1 1925 1 133 ILE HG13 1 134 ARG QG . . 5.110 4.942 2.880 5.144 0.034 10 0 "[ . 1 . 2]" 1 1926 1 133 ILE HG13 1 140 ALA MB . . 5.460 3.614 3.233 3.899 . 0 0 "[ . 1 . 2]" 1 1927 1 134 ARG H 1 134 ARG QG . . 4.120 3.935 2.946 4.023 . 0 0 "[ . 1 . 2]" 1 1928 1 134 ARG H 1 135 GLN H . . 3.850 2.358 2.296 2.418 . 0 0 "[ . 1 . 2]" 1 1929 1 134 ARG H 1 136 LYS HG2 . . 5.190 4.260 3.602 4.826 . 0 0 "[ . 1 . 2]" 1 1930 1 134 ARG H 1 136 LYS QG . . 4.400 3.924 3.470 4.218 . 0 0 "[ . 1 . 2]" 1 1931 1 134 ARG H 1 136 LYS HG3 . . 5.190 4.681 4.305 5.103 . 0 0 "[ . 1 . 2]" 1 1932 1 134 ARG H 1 140 ALA H . . 5.940 5.436 4.868 5.904 . 0 0 "[ . 1 . 2]" 1 1933 1 134 ARG HA 1 140 ALA H . . 4.310 2.747 2.246 3.171 . 0 0 "[ . 1 . 2]" 1 1934 1 134 ARG HA 1 140 ALA MB . . 4.290 2.381 2.197 2.614 . 0 0 "[ . 1 . 2]" 1 1935 1 134 ARG QB 1 135 GLN H . . 4.290 2.578 2.489 2.972 . 0 0 "[ . 1 . 2]" 1 1936 1 134 ARG QB 1 141 ILE H . . 5.320 3.871 3.614 4.764 . 0 0 "[ . 1 . 2]" 1 1937 1 134 ARG QB 1 142 ASN H . . 5.280 4.676 4.146 5.084 . 0 0 "[ . 1 . 2]" 1 1938 1 134 ARG HE 1 141 ILE H . . 6.000 5.846 5.450 6.066 0.066 13 0 "[ . 1 . 2]" 1 1939 1 134 ARG QG 1 135 GLN H . . 4.130 3.662 3.407 4.228 0.098 13 0 "[ . 1 . 2]" 1 1940 1 134 ARG QG 1 140 ALA H . . 4.260 3.038 2.531 3.725 . 0 0 "[ . 1 . 2]" 1 1941 1 134 ARG QG 1 141 ILE H . . 5.900 4.301 2.589 5.028 . 0 0 "[ . 1 . 2]" 1 1942 1 135 GLN H 1 135 GLN HB2 . . 3.790 3.566 3.171 3.631 . 0 0 "[ . 1 . 2]" 1 1943 1 135 GLN H 1 135 GLN QB . . 3.190 2.383 2.106 2.526 . 0 0 "[ . 1 . 2]" 1 1944 1 135 GLN H 1 135 GLN HB3 . . 3.790 2.421 2.138 2.577 . 0 0 "[ . 1 . 2]" 1 1945 1 135 GLN H 1 135 GLN HG2 . . 4.230 2.655 2.334 4.430 0.200 16 0 "[ . 1 . 2]" 1 1946 1 135 GLN H 1 135 GLN QG . . 3.620 2.449 2.295 3.615 . 0 0 "[ . 1 . 2]" 1 1947 1 135 GLN H 1 135 GLN HG3 . . 4.230 3.242 2.534 4.060 . 0 0 "[ . 1 . 2]" 1 1948 1 135 GLN H 1 136 LYS H . . 3.740 2.526 2.343 2.647 . 0 0 "[ . 1 . 2]" 1 1949 1 135 GLN H 1 136 LYS HA . . 5.420 5.143 5.028 5.273 . 0 0 "[ . 1 . 2]" 1 1950 1 135 GLN H 1 136 LYS HG2 . . 5.060 4.487 3.898 4.930 . 0 0 "[ . 1 . 2]" 1 1951 1 135 GLN H 1 136 LYS QG . . 4.450 4.039 3.683 4.309 . 0 0 "[ . 1 . 2]" 1 1952 1 135 GLN H 1 136 LYS HG3 . . 5.060 4.627 4.363 4.911 . 0 0 "[ . 1 . 2]" 1 1953 1 135 GLN QB 1 136 LYS H . . 3.830 3.538 2.892 3.662 . 0 0 "[ . 1 . 2]" 1 1954 1 135 GLN HB2 1 136 LYS H . . 4.360 4.077 3.939 4.210 . 0 0 "[ . 1 . 2]" 1 1955 1 135 GLN HB3 1 136 LYS H . . 4.360 3.905 2.952 4.069 . 0 0 "[ . 1 . 2]" 1 1956 1 135 GLN QG 1 136 LYS H . . 5.400 2.322 1.967 2.747 . 0 0 "[ . 1 . 2]" 1 1957 1 135 GLN QG 1 136 LYS HA . . 5.470 3.229 2.933 3.632 . 0 0 "[ . 1 . 2]" 1 1958 1 136 LYS H 1 136 LYS QB . . 3.630 2.547 2.340 2.800 . 0 0 "[ . 1 . 2]" 1 1959 1 136 LYS H 1 136 LYS QE . . 5.530 4.346 3.952 4.458 . 0 0 "[ . 1 . 2]" 1 1960 1 136 LYS H 1 136 LYS HG2 . . 4.450 2.707 2.120 3.130 . 0 0 "[ . 1 . 2]" 1 1961 1 136 LYS H 1 136 LYS QG . . 3.660 2.333 2.033 2.578 . 0 0 "[ . 1 . 2]" 1 1962 1 136 LYS H 1 136 LYS HG3 . . 4.450 2.610 2.291 2.853 . 0 0 "[ . 1 . 2]" 1 1963 1 136 LYS HA 1 136 LYS QE . . 4.670 4.400 4.095 4.642 . 0 0 "[ . 1 . 2]" 1 1964 1 136 LYS HA 1 136 LYS QG . . 3.630 3.351 3.327 3.384 . 0 0 "[ . 1 . 2]" 1 1965 1 136 LYS QB 1 136 LYS QE . . 3.350 2.447 2.053 3.312 . 0 0 "[ . 1 . 2]" 1 1966 1 139 GLY QA 1 142 ASN H . . 4.820 3.344 3.095 4.314 . 0 0 "[ . 1 . 2]" 1 1967 1 140 ALA H 1 140 ALA MB . . 3.300 2.094 2.027 2.218 . 0 0 "[ . 1 . 2]" 1 1968 1 140 ALA H 1 141 ILE H . . 5.080 2.672 2.338 2.960 . 0 0 "[ . 1 . 2]" 1 1969 1 140 ALA HA 1 141 ILE HB . . 5.940 5.636 5.534 5.876 . 0 0 "[ . 1 . 2]" 1 1970 1 140 ALA MB 1 141 ILE H . . 3.820 2.333 2.227 2.662 . 0 0 "[ . 1 . 2]" 1 1971 1 140 ALA MB 1 141 ILE HA . . 5.490 3.792 3.708 3.820 . 0 0 "[ . 1 . 2]" 1 1972 1 140 ALA MB 1 141 ILE HB . . 5.080 3.589 3.419 3.966 . 0 0 "[ . 1 . 2]" 1 1973 1 140 ALA MB 1 141 ILE QG . . 5.810 5.014 4.919 5.239 . 0 0 "[ . 1 . 2]" 1 1974 1 140 ALA MB 1 142 ASN H . . 5.160 4.074 3.900 4.754 . 0 0 "[ . 1 . 2]" 1 1975 1 140 ALA MB 1 146 LEU QD . . 5.920 4.940 4.715 5.299 . 0 0 "[ . 1 . 2]" 1 1976 1 141 ILE H 1 141 ILE MD . . 4.650 4.472 4.320 4.565 . 0 0 "[ . 1 . 2]" 1 1977 1 141 ILE H 1 141 ILE MG . . 4.210 2.020 1.707 2.174 . 0 0 "[ . 1 . 2]" 1 1978 1 141 ILE H 1 142 ASN H . . 4.240 2.341 2.168 2.776 . 0 0 "[ . 1 . 2]" 1 1979 1 141 ILE H 1 146 LEU QD . . 5.300 3.787 3.475 4.312 . 0 0 "[ . 1 . 2]" 1 1980 1 141 ILE HA 1 141 ILE MD . . 4.440 3.242 2.335 3.700 . 0 0 "[ . 1 . 2]" 1 1981 1 141 ILE HB 1 142 ASN H . . 5.020 4.183 3.612 4.408 . 0 0 "[ . 1 . 2]" 1 1982 1 141 ILE HB 1 146 LEU QD . . 4.560 3.908 3.682 4.174 . 0 0 "[ . 1 . 2]" 1 1983 1 141 ILE MD 1 141 ILE MG . . 3.050 2.566 2.021 3.153 0.103 17 0 "[ . 1 . 2]" 1 1984 1 141 ILE MD 1 142 ASN H . . 4.880 4.934 3.882 5.345 0.465 7 0 "[ . 1 . 2]" 1 1985 1 141 ILE MD 1 145 GLN H . . 5.610 5.083 4.487 5.688 0.078 8 0 "[ . 1 . 2]" 1 1986 1 141 ILE MD 1 145 GLN QG . . 3.860 3.178 1.823 4.006 0.146 7 0 "[ . 1 . 2]" 1 1987 1 141 ILE QG 1 142 ASN H . . 5.130 3.778 2.351 4.189 . 0 0 "[ . 1 . 2]" 1 1988 1 141 ILE QG 1 145 GLN H . . 4.510 4.308 3.545 4.688 0.178 8 0 "[ . 1 . 2]" 1 1989 1 141 ILE QG 1 145 GLN QB . . 4.100 1.834 1.683 2.265 . 0 0 "[ . 1 . 2]" 1 1990 1 141 ILE QG 1 145 GLN QG . . 4.320 2.743 1.803 3.678 . 0 0 "[ . 1 . 2]" 1 1991 1 141 ILE QG 1 146 LEU QD . . 3.790 2.327 1.836 2.818 . 0 0 "[ . 1 . 2]" 1 1992 1 141 ILE MG 1 142 ASN H . . 4.390 2.331 1.609 2.785 . 0 0 "[ . 1 . 2]" 1 1993 1 141 ILE MG 1 146 LEU QD . . 3.240 1.787 1.747 1.909 . 0 0 "[ . 1 . 2]" 1 1994 1 142 ASN H 1 142 ASN QB . . 3.540 2.295 2.047 3.128 . 0 0 "[ . 1 . 2]" 1 1995 1 142 ASN H 1 145 GLN QB . . 5.310 4.655 4.228 5.076 . 0 0 "[ . 1 . 2]" 1 1996 1 142 ASN H 1 146 LEU H . . 5.500 5.074 4.449 5.393 . 0 0 "[ . 1 . 2]" 1 1997 1 142 ASN H 1 146 LEU QD . . 4.010 2.846 1.939 3.277 . 0 0 "[ . 1 . 2]" 1 1998 1 144 LYS HA 1 146 LEU H . . 4.940 4.626 4.378 4.820 . 0 0 "[ . 1 . 2]" 1 1999 1 144 LYS HA 1 146 LEU QB . . 5.810 5.080 4.750 5.262 . 0 0 "[ . 1 . 2]" 1 2000 1 144 LYS HA 1 147 THR H . . 4.060 3.688 3.535 4.199 0.139 6 0 "[ . 1 . 2]" 1 2001 1 144 LYS QB 1 145 GLN H . . 3.950 2.516 2.121 2.953 . 0 0 "[ . 1 . 2]" 1 2002 1 145 GLN H 1 145 GLN QG . . 4.190 2.151 1.815 4.051 . 0 0 "[ . 1 . 2]" 1 2003 1 145 GLN H 1 146 LEU H . . 3.840 2.903 2.585 3.030 . 0 0 "[ . 1 . 2]" 1 2004 1 145 GLN H 1 146 LEU QD . . 4.980 4.986 4.405 5.292 0.312 15 0 "[ . 1 . 2]" 1 2005 1 145 GLN H 1 147 THR H . . 4.930 4.483 4.228 4.776 . 0 0 "[ . 1 . 2]" 1 2006 1 145 GLN H 1 148 TYR H . . 5.460 4.629 4.476 4.793 . 0 0 "[ . 1 . 2]" 1 2007 1 145 GLN HA 1 146 LEU QD . . 5.920 5.358 4.768 5.747 . 0 0 "[ . 1 . 2]" 1 2008 1 145 GLN HA 1 147 THR H . . 5.390 4.803 4.549 4.935 . 0 0 "[ . 1 . 2]" 1 2009 1 145 GLN HA 1 148 TYR H . . 4.220 3.537 3.317 3.635 . 0 0 "[ . 1 . 2]" 1 2010 1 145 GLN HA 1 148 TYR HB2 . . 5.010 3.061 2.336 3.480 . 0 0 "[ . 1 . 2]" 1 2011 1 145 GLN HA 1 148 TYR QB . . 4.270 2.492 2.166 2.962 . 0 0 "[ . 1 . 2]" 1 2012 1 145 GLN HA 1 148 TYR HB3 . . 5.010 2.781 2.222 4.420 . 0 0 "[ . 1 . 2]" 1 2013 1 145 GLN QB 1 147 THR H . . 5.050 4.808 4.623 5.067 0.017 5 0 "[ . 1 . 2]" 1 2014 1 145 GLN QB 1 148 TYR H . . 5.260 4.766 4.675 4.929 . 0 0 "[ . 1 . 2]" 1 2015 1 145 GLN HB2 1 146 LEU H . . 4.580 2.463 2.191 3.652 . 0 0 "[ . 1 . 2]" 1 2016 1 145 GLN HB3 1 146 LEU H . . 4.580 3.515 2.199 3.971 . 0 0 "[ . 1 . 2]" 1 2017 1 145 GLN QG 1 146 LEU H . . 4.200 3.577 3.283 3.750 . 0 0 "[ . 1 . 2]" 1 2018 1 145 GLN QG 1 147 THR H . . 6.000 5.743 5.443 6.021 0.021 5 0 "[ . 1 . 2]" 1 2019 1 146 LEU H 1 146 LEU HB2 . . 3.850 2.061 2.040 2.118 . 0 0 "[ . 1 . 2]" 1 2020 1 146 LEU H 1 146 LEU HB3 . . 3.850 3.218 3.092 3.441 . 0 0 "[ . 1 . 2]" 1 2021 1 146 LEU H 1 146 LEU QD . . 3.740 2.867 2.348 3.140 . 0 0 "[ . 1 . 2]" 1 2022 1 146 LEU H 1 146 LEU HG . . 4.300 4.274 4.087 4.465 0.165 17 0 "[ . 1 . 2]" 1 2023 1 146 LEU H 1 147 THR H . . 4.130 2.909 2.836 3.014 . 0 0 "[ . 1 . 2]" 1 2024 1 146 LEU H 1 148 TYR H . . 4.960 4.027 3.929 4.326 . 0 0 "[ . 1 . 2]" 1 2025 1 146 LEU HA 1 146 LEU QD . . 3.670 2.481 2.044 2.890 . 0 0 "[ . 1 . 2]" 1 2026 1 146 LEU HA 1 149 LEU H . . 4.400 3.929 3.834 4.047 . 0 0 "[ . 1 . 2]" 1 2027 1 146 LEU QB 1 147 THR H . . 3.810 2.362 2.223 2.565 . 0 0 "[ . 1 . 2]" 1 2028 1 146 LEU QB 1 147 THR HB . . 5.810 5.167 5.093 5.257 . 0 0 "[ . 1 . 2]" 1 2029 1 146 LEU QB 1 148 TYR H . . 5.190 4.405 4.286 4.652 . 0 0 "[ . 1 . 2]" 1 2030 1 146 LEU QD 1 147 THR H . . 4.540 3.878 3.725 3.964 . 0 0 "[ . 1 . 2]" 1 2031 1 146 LEU QD 1 148 TYR H . . 5.920 5.315 5.167 5.415 . 0 0 "[ . 1 . 2]" 1 2032 1 146 LEU HG 1 147 THR H . . 5.220 4.637 4.413 4.975 . 0 0 "[ . 1 . 2]" 1 2033 1 147 THR H 1 147 THR HB . . 4.060 3.614 3.597 3.619 . 0 0 "[ . 1 . 2]" 1 2034 1 147 THR H 1 147 THR MG . . 4.160 2.076 1.918 2.267 . 0 0 "[ . 1 . 2]" 1 2035 1 147 THR H 1 148 TYR H . . 3.780 2.693 2.622 2.785 . 0 0 "[ . 1 . 2]" 1 2036 1 147 THR H 1 148 TYR QB . . 5.200 4.431 4.323 4.798 . 0 0 "[ . 1 . 2]" 1 2037 1 147 THR H 1 150 GLU HB2 . . 4.610 4.453 4.299 4.605 . 0 0 "[ . 1 . 2]" 1 2038 1 147 THR H 1 150 GLU QG . . 5.810 5.648 5.426 5.906 0.096 8 0 "[ . 1 . 2]" 1 2039 1 147 THR HA 1 150 GLU H . . 3.950 3.350 3.216 3.473 . 0 0 "[ . 1 . 2]" 1 2040 1 147 THR HA 1 150 GLU HA . . 5.630 4.823 4.750 4.902 . 0 0 "[ . 1 . 2]" 1 2041 1 147 THR HA 1 150 GLU HB2 . . 4.290 2.267 2.080 2.380 . 0 0 "[ . 1 . 2]" 1 2042 1 147 THR HA 1 150 GLU HB3 . . 4.040 2.666 2.454 2.828 . 0 0 "[ . 1 . 2]" 1 2043 1 147 THR HA 1 150 GLU HG2 . . 5.150 4.542 4.152 4.692 . 0 0 "[ . 1 . 2]" 1 2044 1 147 THR HA 1 150 GLU QG . . 4.350 3.514 3.338 3.912 . 0 0 "[ . 1 . 2]" 1 2045 1 147 THR HA 1 150 GLU HG3 . . 5.150 3.679 3.460 4.270 . 0 0 "[ . 1 . 2]" 1 2046 1 147 THR HB 1 148 TYR H . . 3.970 3.857 3.778 3.954 . 0 0 "[ . 1 . 2]" 1 2047 1 147 THR HB 1 150 GLU H . . 5.460 5.135 5.071 5.196 . 0 0 "[ . 1 . 2]" 1 2048 1 147 THR HB 1 151 LYS H . . 5.750 4.960 4.436 5.573 . 0 0 "[ . 1 . 2]" 1 2049 1 147 THR MG 1 148 TYR H . . 4.130 3.854 3.642 3.976 . 0 0 "[ . 1 . 2]" 1 2050 1 148 TYR H 1 148 TYR HB2 . . 3.710 2.560 2.192 2.868 . 0 0 "[ . 1 . 2]" 1 2051 1 148 TYR H 1 148 TYR HB3 . . 3.710 2.571 2.234 3.591 . 0 0 "[ . 1 . 2]" 1 2052 1 148 TYR H 1 149 LEU H . . 4.190 2.959 2.828 3.046 . 0 0 "[ . 1 . 2]" 1 2053 1 148 TYR H 1 149 LEU QD . . 5.920 5.361 5.228 5.529 . 0 0 "[ . 1 . 2]" 1 2054 1 148 TYR H 1 150 GLU H . . 4.810 3.831 3.729 4.000 . 0 0 "[ . 1 . 2]" 1 2055 1 148 TYR H 1 150 GLU HB2 . . 4.910 4.714 4.541 4.913 0.003 6 0 "[ . 1 . 2]" 1 2056 1 148 TYR HA 1 148 TYR HE1 . . 4.520 4.651 4.416 4.978 0.458 19 0 "[ . 1 . 2]" 1 2057 1 148 TYR HA 1 151 LYS H . . 5.010 3.928 3.808 4.045 . 0 0 "[ . 1 . 2]" 1 2058 1 148 TYR QB 1 149 LEU HG . . 5.810 5.871 5.628 6.101 0.291 19 0 "[ . 1 . 2]" 1 2059 1 148 TYR HB2 1 149 LEU H . . 4.470 3.602 2.098 3.898 . 0 0 "[ . 1 . 2]" 1 2060 1 148 TYR HB3 1 149 LEU H . . 4.470 2.304 2.097 3.177 . 0 0 "[ . 1 . 2]" 1 2061 1 149 LEU H 1 149 LEU QD . . 4.080 3.149 2.982 3.427 . 0 0 "[ . 1 . 2]" 1 2062 1 149 LEU H 1 149 LEU HG . . 4.650 4.484 4.440 4.546 . 0 0 "[ . 1 . 2]" 1 2063 1 149 LEU H 1 150 GLU H . . 3.830 2.582 2.501 2.653 . 0 0 "[ . 1 . 2]" 1 2064 1 149 LEU H 1 150 GLU HB2 . . 4.650 4.525 4.416 4.650 0.000 13 0 "[ . 1 . 2]" 1 2065 1 149 LEU H 1 150 GLU HB3 . . 5.410 5.281 5.134 5.454 0.044 20 0 "[ . 1 . 2]" 1 2066 1 149 LEU H 1 151 LYS H . . 5.120 4.491 4.356 4.607 . 0 0 "[ . 1 . 2]" 1 2067 1 149 LEU HA 1 149 LEU QD . . 3.630 1.994 1.905 2.069 . 0 0 "[ . 1 . 2]" 1 2068 1 149 LEU HA 1 149 LEU HG . . 4.150 3.652 3.640 3.672 . 0 0 "[ . 1 . 2]" 1 2069 1 149 LEU HA 1 151 LYS H . . 5.050 4.297 3.979 4.458 . 0 0 "[ . 1 . 2]" 1 2070 1 149 LEU HA 1 152 TYR H . . 4.600 3.122 3.033 3.199 . 0 0 "[ . 1 . 2]" 1 2071 1 149 LEU HA 1 152 TYR HB2 . . 4.830 3.044 2.785 3.317 . 0 0 "[ . 1 . 2]" 1 2072 1 149 LEU HA 1 152 TYR QB . . 4.220 1.887 1.810 1.926 . 0 0 "[ . 1 . 2]" 1 2073 1 149 LEU HA 1 152 TYR HB3 . . 4.830 1.907 1.820 1.950 . 0 0 "[ . 1 . 2]" 1 2074 1 149 LEU QB 1 150 GLU H . . 4.080 2.904 2.719 3.025 . 0 0 "[ . 1 . 2]" 1 2075 1 149 LEU QB 1 152 TYR H . . 5.010 4.739 4.619 4.809 . 0 0 "[ . 1 . 2]" 1 2076 1 149 LEU QD 1 151 LYS H . . 5.920 4.810 4.600 4.945 . 0 0 "[ . 1 . 2]" 1 2077 1 149 LEU QD 1 152 TYR H . . 5.450 3.922 3.756 4.024 . 0 0 "[ . 1 . 2]" 1 2078 1 149 LEU QD 1 152 TYR QB . . 4.490 2.501 2.313 2.663 . 0 0 "[ . 1 . 2]" 1 2079 1 149 LEU HG 1 150 GLU H . . 5.780 5.344 5.155 5.455 . 0 0 "[ . 1 . 2]" 1 2080 1 149 LEU HG 1 150 GLU HA . . 6.000 6.065 5.883 6.155 0.155 3 0 "[ . 1 . 2]" 1 2081 1 150 GLU H 1 150 GLU HB2 . . 3.380 2.207 2.107 2.294 . 0 0 "[ . 1 . 2]" 1 2082 1 150 GLU H 1 150 GLU HB3 . . 3.290 2.902 2.779 3.077 . 0 0 "[ . 1 . 2]" 1 2083 1 150 GLU H 1 150 GLU HG2 . . 4.660 4.248 4.129 4.524 . 0 0 "[ . 1 . 2]" 1 2084 1 150 GLU H 1 150 GLU HG3 . . 4.660 4.374 3.902 4.599 . 0 0 "[ . 1 . 2]" 1 2085 1 150 GLU H 1 151 LYS H . . 3.740 2.772 2.678 2.873 . 0 0 "[ . 1 . 2]" 1 2086 1 150 GLU H 1 152 TYR H . . 4.730 3.771 3.560 3.871 . 0 0 "[ . 1 . 2]" 1 2087 1 150 GLU HA 1 150 GLU HG2 . . 4.030 2.390 2.194 2.738 . 0 0 "[ . 1 . 2]" 1 2088 1 150 GLU HA 1 150 GLU QG . . 3.500 2.278 2.172 2.596 . 0 0 "[ . 1 . 2]" 1 2089 1 150 GLU HA 1 150 GLU HG3 . . 4.030 3.327 2.350 3.662 . 0 0 "[ . 1 . 2]" 1 2090 1 150 GLU HB2 1 151 LYS H . . 3.750 3.534 3.415 3.761 0.011 12 0 "[ . 1 . 2]" 1 2091 1 150 GLU HB3 1 151 LYS H . . 3.460 2.525 2.408 2.732 . 0 0 "[ . 1 . 2]" 1 2092 1 150 GLU QG 1 151 LYS H . . 4.570 4.314 4.128 4.459 . 0 0 "[ . 1 . 2]" 1 2093 1 150 GLU HG2 1 151 LYS H . . 5.210 4.764 4.384 5.023 . 0 0 "[ . 1 . 2]" 1 2094 1 150 GLU HG2 1 151 LYS HA . . 6.000 5.429 4.640 6.033 0.033 10 0 "[ . 1 . 2]" 1 2095 1 150 GLU HG3 1 151 LYS H . . 5.210 4.956 4.675 5.128 . 0 0 "[ . 1 . 2]" 1 2096 1 150 GLU HG3 1 151 LYS HA . . 6.000 5.959 5.552 6.077 0.077 8 0 "[ . 1 . 2]" 1 2097 1 151 LYS H 1 151 LYS QB . . 3.390 2.202 2.132 2.308 . 0 0 "[ . 1 . 2]" 1 2098 1 151 LYS H 1 151 LYS HG2 . . 4.600 4.176 3.650 4.407 . 0 0 "[ . 1 . 2]" 1 2099 1 151 LYS H 1 151 LYS QG . . 4.020 3.186 3.031 3.362 . 0 0 "[ . 1 . 2]" 1 2100 1 151 LYS H 1 151 LYS HG3 . . 4.600 3.315 3.146 3.487 . 0 0 "[ . 1 . 2]" 1 2101 1 151 LYS H 1 152 TYR H . . 3.190 2.219 1.986 2.382 . 0 0 "[ . 1 . 2]" 1 2102 1 151 LYS H 1 152 TYR HA . . 5.640 4.862 4.658 5.025 . 0 0 "[ . 1 . 2]" 1 2103 1 151 LYS H 1 152 TYR QB . . 4.680 3.993 3.780 4.162 . 0 0 "[ . 1 . 2]" 1 2104 1 151 LYS HA 1 151 LYS QD . . 4.800 3.984 3.917 4.082 . 0 0 "[ . 1 . 2]" 1 2105 1 151 LYS HA 1 151 LYS QE . . 4.990 4.082 2.908 4.680 . 0 0 "[ . 1 . 2]" 1 2106 1 151 LYS HA 1 151 LYS HG2 . . 4.140 2.407 2.090 2.634 . 0 0 "[ . 1 . 2]" 1 2107 1 151 LYS HA 1 151 LYS QG . . 3.610 2.242 2.066 2.293 . 0 0 "[ . 1 . 2]" 1 2108 1 151 LYS HA 1 151 LYS HG3 . . 4.140 2.791 2.516 3.308 . 0 0 "[ . 1 . 2]" 1 2109 1 151 LYS QB 1 151 LYS QD . . 3.430 2.185 2.088 2.312 . 0 0 "[ . 1 . 2]" 1 2110 1 151 LYS HB2 1 152 TYR H . . 4.140 3.154 3.026 3.554 . 0 0 "[ . 1 . 2]" 1 2111 1 151 LYS HB3 1 152 TYR H . . 4.140 3.600 3.512 4.071 . 0 0 "[ . 1 . 2]" 1 2112 1 151 LYS QG 1 152 TYR H . . 4.530 4.483 4.384 4.533 0.003 10 0 "[ . 1 . 2]" 1 2113 1 151 LYS HG2 1 152 TYR H . . 5.260 5.173 4.957 5.276 0.016 13 0 "[ . 1 . 2]" 1 2114 1 151 LYS HG3 1 152 TYR H . . 5.260 4.920 4.855 5.086 . 0 0 "[ . 1 . 2]" 1 2115 1 152 TYR H 1 152 TYR HB2 . . 3.410 2.523 2.428 2.722 . 0 0 "[ . 1 . 2]" 1 2116 1 152 TYR H 1 152 TYR HB3 . . 3.410 2.572 2.416 2.634 . 0 0 "[ . 1 . 2]" 1 2117 1 152 TYR H 1 153 ARG H . . 5.110 4.621 4.548 4.639 . 0 0 "[ . 1 . 2]" 1 2118 1 152 TYR HA 1 152 TYR HE2 . . 5.450 5.349 4.952 6.080 0.630 14 5 "[ *.* 1 * +. - 2]" 1 2119 1 152 TYR QB 1 152 TYR HE2 . . 4.490 4.381 4.332 4.416 . 0 0 "[ . 1 . 2]" 1 2120 1 152 TYR HE2 1 153 ARG H . . 5.260 4.883 4.202 5.383 0.123 13 0 "[ . 1 . 2]" 1 2121 1 153 ARG H 1 153 ARG QG . . 4.820 3.484 2.449 4.162 . 0 0 "[ . 1 . 2]" 1 2122 1 153 ARG H 1 154 PRO HD2 . . 6.000 4.820 4.805 4.828 . 0 0 "[ . 1 . 2]" 1 2123 1 153 ARG HA 1 153 ARG QG . . 3.500 2.927 2.512 3.440 . 0 0 "[ . 1 . 2]" 1 2124 1 153 ARG QB 1 154 PRO HD2 . . 4.550 3.033 2.527 3.439 . 0 0 "[ . 1 . 2]" 1 2125 1 154 PRO HA 1 155 LYS QG . . 5.170 4.081 3.813 4.348 . 0 0 "[ . 1 . 2]" 1 2126 1 154 PRO QB 1 155 LYS H . . 4.660 3.525 3.407 3.595 . 0 0 "[ . 1 . 2]" 1 2127 1 155 LYS H 1 155 LYS QG . . 4.790 2.245 1.985 2.464 . 0 0 "[ . 1 . 2]" 1 2128 1 156 GLN HA 1 157 ARG HA . . 5.430 4.557 4.452 4.760 . 0 0 "[ . 1 . 2]" 1 2129 1 156 GLN HB2 1 157 ARG H . . 5.340 4.371 4.117 4.644 . 0 0 "[ . 1 . 2]" 1 2130 1 156 GLN HB3 1 157 ARG H . . 5.340 4.353 4.093 4.530 . 0 0 "[ . 1 . 2]" 1 2131 1 157 ARG HA 1 157 ARG QD . . 4.590 3.528 2.153 4.494 . 0 0 "[ . 1 . 2]" 1 2132 1 157 ARG HA 1 157 ARG QG . . 4.000 2.332 2.039 3.425 . 0 0 "[ . 1 . 2]" 1 2133 1 158 LEU H 1 158 LEU HG . . 5.350 4.200 3.941 4.486 . 0 0 "[ . 1 . 2]" 1 2134 1 158 LEU HA 1 158 LEU MD2 . . 3.540 2.121 1.953 2.528 . 0 0 "[ . 1 . 2]" 1 2135 1 158 LEU HB2 1 158 LEU MD2 . . 3.480 2.425 2.318 2.511 . 0 0 "[ . 1 . 2]" 1 2136 1 161 LYS HA 1 161 LYS QE . . 5.380 4.687 4.513 4.757 . 0 0 "[ . 1 . 2]" 1 2137 1 161 LYS HA 1 162 ASP H . . 3.410 2.388 2.296 2.462 . 0 0 "[ . 1 . 2]" 1 2138 1 161 LYS QB 1 162 ASP H . . 3.750 3.191 3.050 3.368 . 0 0 "[ . 1 . 2]" 1 2139 1 161 LYS QG 1 162 ASP H . . 4.430 2.200 1.924 2.951 . 0 0 "[ . 1 . 2]" 1 2140 1 162 ASP H 1 162 ASP QB . . 3.450 2.629 2.202 2.904 . 0 0 "[ . 1 . 2]" 1 stop_ save_
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