NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
403274 | 1wj1 | 10089 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wj1 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 2557 _Distance_constraint_stats_list.Viol_count 4754 _Distance_constraint_stats_list.Viol_total 12024.233 _Distance_constraint_stats_list.Viol_max 1.614 _Distance_constraint_stats_list.Viol_rms 0.0575 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0118 _Distance_constraint_stats_list.Viol_average_violations_only 0.1265 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details ; Description of the tags in this list: * 1 * Administrative tag * 2 * Administrative tag * 3 * Administrative tag * 4 * ID of the restraint list. * 5 * Number of restraints in list. * 6 * Number of violated restraints (each model violation is used). * 7 * Sum of violations in Angstrom. * 8 * Maximum violation of a restraint without averaging in any way. * 9 * Rms of violations over all restraints. * 10 * Average violation over all restraints. * 11 * Average violation over violated restraints. This violation is averaged over only those models in which the restraint is violated. These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998). * 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table. * 13 * This tag Description of the tags in the per residue table below: * 1 * Chain identifier (can be absent if none defined) * 2 * Residue number * 3 * Residue name * 4 * Maximum violation in ensemble of models (without any averaging) * 5 * Model number with the maximum violation * 6 * Number of models with a violation above cutoff * 7 * List of models (1 character per model) with a violation above cutoff. An '*' marks a violation above the cutoff. A '+' indicates the largest violation above the cutoff and a '-' marks the smallest violation over cutoff. For models 5, 15, 25,... a ' ' is replaced by a '.'. For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1. * 8 * Administrative tag * 9 * Administrative tag Description of the tags in the per restraint table below: * 1 * Restraint ID within restraint list. First node, FIRST member, first atom's: * 2 * Chain identifier (can be absent if none defined) * 3 * Residue number * 4 * Residue name * 5 * Name of (pseudo-)atom First node, SECOND member, first atom's: * 6 * Chain identifier (can be absent if none defined) * 7 * Residue number * 8 * Residue name * 9 * Name of (pseudo-)atom FIRST node's: * 10 * Target distance value (Angstrom) * 11 * Lower bound distance (Angstrom) * 12 * Upper bound distance (Angstrom) * 13 * Average distance in ensemble of models * 14 * Minimum distance in ensemble of models * 15 * Maximum distance in ensemble of models * 16 * Maximum violation (without any averaging) * 17 * Model number with the maximum violation * 18 * Number of models with a violation above cutoff * 19 * List of models with a violation above cutoff. See description above. * 20 * Administrative tag * 21 * Administrative tag ; loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 8 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 9 SER 0.174 0.109 4 0 "[ . 1 . 2]" 1 10 ARG 1.017 0.128 4 0 "[ . 1 . 2]" 1 11 PRO 1.547 0.128 4 0 "[ . 1 . 2]" 1 12 HIS 0.721 0.111 16 0 "[ . 1 . 2]" 1 13 GLN 17.889 1.082 1 5 "[+ . * 1- . * *2]" 1 14 TRP 16.446 0.940 17 6 "[ - * 1** . + *2]" 1 15 GLN 8.329 0.585 6 3 "[ .+ - . *2]" 1 16 THR 9.999 0.641 10 3 "[ .* + . *2]" 1 17 ASP 0.245 0.054 18 0 "[ . 1 . 2]" 1 18 GLU 2.129 0.151 7 0 "[ . 1 . 2]" 1 19 GLU 13.166 0.946 10 5 "[* . *+ ** 2]" 1 20 GLY 5.948 0.368 6 0 "[ . 1 . 2]" 1 21 VAL 4.011 0.211 5 0 "[ . 1 . 2]" 1 22 ARG 1.582 0.155 2 0 "[ . 1 . 2]" 1 23 THR 9.923 0.946 10 9 "[** . *+* * ** -2]" 1 24 GLY 0.159 0.088 14 0 "[ . 1 . 2]" 1 25 LYS 5.557 0.153 15 0 "[ . 1 . 2]" 1 26 CYS 11.769 0.211 5 0 "[ . 1 . 2]" 1 27 SER 3.553 0.173 18 0 "[ . 1 . 2]" 1 28 PHE 22.891 1.614 7 19 "[******+ -***********]" 1 29 PRO 12.053 0.387 3 0 "[ . 1 . 2]" 1 30 VAL 18.229 0.544 14 2 "[ . 1 +. -]" 1 31 LYS 23.187 0.939 15 7 "[ . ** * - + **]" 1 32 TYR 8.005 0.443 10 0 "[ . 1 . 2]" 1 33 LEU 9.109 0.294 18 0 "[ . 1 . 2]" 1 34 GLY 1.662 0.113 20 0 "[ . 1 . 2]" 1 35 HIS 3.237 0.623 5 1 "[ + 1 . 2]" 1 36 VAL 14.193 0.541 16 1 "[ . 1 .+ 2]" 1 37 GLU 1.604 0.361 8 0 "[ . 1 . 2]" 1 38 VAL 15.351 0.690 15 18 "[*********-****+ ***2]" 1 39 ASP 6.237 0.444 7 0 "[ . 1 . 2]" 1 40 GLU 14.234 0.972 17 12 "[** *.* **1 * -*+**2]" 1 41 SER 2.013 0.234 19 0 "[ . 1 . 2]" 1 42 ARG 4.521 0.255 19 0 "[ . 1 . 2]" 1 43 GLY 11.401 0.328 17 0 "[ . 1 . 2]" 1 44 MET 4.777 0.313 19 0 "[ . 1 . 2]" 1 45 HIS 15.298 0.972 17 12 "[** *.* **1 * -*+**2]" 1 46 ILE 10.347 0.444 7 0 "[ . 1 . 2]" 1 47 CYS 0.947 0.313 19 0 "[ . 1 . 2]" 1 48 GLU 11.002 0.618 19 4 "[ * 1 -* +2]" 1 49 ASP 8.041 0.600 19 4 "[ * 1 -* +2]" 1 50 ALA 3.449 0.310 3 0 "[ . 1 . 2]" 1 51 VAL 20.115 0.784 2 3 "[ + . 1- . *2]" 1 52 LYS 4.855 0.366 6 0 "[ . 1 . 2]" 1 53 ARG 1.601 0.133 12 0 "[ . 1 . 2]" 1 54 LEU 14.903 0.541 16 1 "[ . 1 .+ 2]" 1 55 LYS 21.712 0.774 7 13 "[* **-*+ *** * ** *]" 1 56 ALA 2.319 0.205 6 0 "[ . 1 . 2]" 1 57 THR 5.904 0.220 10 0 "[ . 1 . 2]" 1 58 GLY 1.029 0.094 14 0 "[ . 1 . 2]" 1 59 LYS 1.307 0.179 9 0 "[ . 1 . 2]" 1 60 LYS 7.799 0.478 3 0 "[ . 1 . 2]" 1 61 ALA 3.308 0.146 4 0 "[ . 1 . 2]" 1 62 VAL 8.506 0.443 10 0 "[ . 1 . 2]" 1 63 LYS 27.749 0.939 15 9 "[ * ** * * +- **]" 1 64 ALA 8.197 0.292 20 0 "[ . 1 . 2]" 1 65 VAL 2.150 0.174 17 0 "[ . 1 . 2]" 1 66 LEU 12.232 0.205 19 0 "[ . 1 . 2]" 1 67 TRP 7.973 0.150 17 0 "[ . 1 . 2]" 1 68 VAL 21.802 1.614 7 19 "[******+ -***********]" 1 69 SER 1.818 0.176 15 0 "[ . 1 . 2]" 1 70 ALA 2.939 0.176 15 0 "[ . 1 . 2]" 1 71 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 72 GLY 0.542 0.117 13 0 "[ . 1 . 2]" 1 73 LEU 8.096 0.325 11 0 "[ . 1 . 2]" 1 74 ARG 20.180 0.834 7 8 "[ * + -*** .* *]" 1 75 VAL 6.527 0.111 20 0 "[ . 1 . 2]" 1 76 VAL 15.105 0.314 7 0 "[ . 1 . 2]" 1 77 ASP 18.323 0.314 7 0 "[ . 1 . 2]" 1 78 GLU 9.285 0.292 20 0 "[ . 1 . 2]" 1 79 LYS 7.523 0.295 17 0 "[ . 1 . 2]" 1 80 THR 17.019 0.301 10 0 "[ . 1 . 2]" 1 81 LYS 11.239 0.659 17 2 "[ . 1 - . + 2]" 1 82 ASP 10.085 0.296 9 0 "[ . 1 . 2]" 1 83 LEU 8.415 0.452 10 0 "[ . 1 . 2]" 1 84 ILE 18.065 0.272 1 0 "[ . 1 . 2]" 1 85 VAL 13.328 0.243 15 0 "[ . 1 . 2]" 1 86 ASP 18.810 0.834 7 8 "[ * + -*** .* *]" 1 87 GLN 5.210 0.396 10 0 "[ . 1 . 2]" 1 88 THR 2.607 0.158 10 0 "[ . 1 . 2]" 1 89 ILE 11.807 0.188 19 0 "[ . 1 . 2]" 1 90 GLU 1.136 0.123 3 0 "[ . 1 . 2]" 1 91 LYS 6.611 0.697 8 3 "[ -. + 1 . * 2]" 1 92 VAL 4.755 0.396 10 0 "[ . 1 . 2]" 1 93 SER 1.205 0.188 12 0 "[ . 1 . 2]" 1 94 PHE 3.559 0.189 3 0 "[ . 1 . 2]" 1 95 CYS 1.303 0.083 3 0 "[ . 1 . 2]" 1 96 ALA 3.913 0.139 20 0 "[ . 1 . 2]" 1 97 PRO 1.828 0.139 20 0 "[ . 1 . 2]" 1 98 ASP 0.640 0.129 7 0 "[ . 1 . 2]" 1 99 ARG 0.983 0.117 12 0 "[ . 1 . 2]" 1 100 ASN 4.041 0.262 20 0 "[ . 1 . 2]" 1 101 PHE 8.905 0.604 4 1 "[ +. 1 . 2]" 1 102 ASP 0.856 0.550 9 1 "[ . +1 . 2]" 1 103 ARG 3.749 0.550 9 1 "[ . +1 . 2]" 1 104 ALA 8.014 0.248 19 0 "[ . 1 . 2]" 1 105 PHE 4.159 0.248 19 0 "[ . 1 . 2]" 1 106 SER 0.072 0.072 18 0 "[ . 1 . 2]" 1 107 TYR 8.874 0.499 15 0 "[ . 1 . 2]" 1 108 ILE 11.817 0.499 15 0 "[ . 1 . 2]" 1 109 CYS 0.626 0.091 16 0 "[ . 1 . 2]" 1 110 ARG 3.150 0.635 4 1 "[ +. 1 . 2]" 1 111 ASP 2.555 0.362 4 0 "[ . 1 . 2]" 1 112 GLY 0.346 0.283 19 0 "[ . 1 . 2]" 1 113 THR 1.476 0.283 19 0 "[ . 1 . 2]" 1 114 THR 2.939 0.267 12 0 "[ . 1 . 2]" 1 115 ARG 5.208 0.339 19 0 "[ . 1 . 2]" 1 116 ARG 6.539 0.559 17 2 "[ . 1 . + -]" 1 117 TRP 3.772 0.236 20 0 "[ . 1 . 2]" 1 118 ILE 20.948 0.690 15 18 "[**************+ -**2]" 1 119 CYS 0.836 0.105 2 0 "[ . 1 . 2]" 1 120 HIS 1.965 0.623 5 1 "[ + 1 . 2]" 1 121 CYS 14.319 0.784 2 3 "[ + . 1- . *2]" 1 122 PHE 11.706 0.544 14 2 "[ . 1 +. -]" 1 123 MET 16.629 0.294 18 0 "[ . 1 . 2]" 1 124 ALA 7.137 0.147 4 0 "[ . 1 . 2]" 1 125 VAL 26.814 0.775 14 14 "[** **** 1**-+*** *]" 1 126 LYS 10.711 0.775 14 12 "[** *.** 1**-+.** *]" 1 127 ASP 3.564 0.463 4 0 "[ . 1 . 2]" 1 128 THR 3.326 0.463 4 0 "[ . 1 . 2]" 1 129 GLY 0.621 0.111 2 0 "[ . 1 . 2]" 1 130 GLU 0.990 0.652 12 1 "[ . 1 + . 2]" 1 131 ARG 5.352 1.082 1 4 "[+ . 1* . * -2]" 1 132 LEU 9.188 0.435 2 0 "[ . 1 . 2]" 1 133 SER 8.742 0.435 2 0 "[ . 1 . 2]" 1 134 HIS 5.427 0.517 5 1 "[ + 1 . 2]" 1 135 ALA 1.851 0.174 20 0 "[ . 1 . 2]" 1 136 VAL 5.159 0.219 17 0 "[ . 1 . 2]" 1 137 GLY 3.889 0.288 16 0 "[ . 1 . 2]" 1 138 CYS 2.574 0.438 10 0 "[ . 1 . 2]" 1 139 ALA 0.539 0.119 17 0 "[ . 1 . 2]" 1 140 PHE 11.948 0.438 10 0 "[ . 1 . 2]" 1 141 ALA 6.074 0.468 10 0 "[ . 1 . 2]" 1 142 ALA 7.796 0.615 8 4 "[- . + * . *2]" 1 143 CYS 5.158 0.190 16 0 "[ . 1 . 2]" 1 144 LEU 10.274 0.400 12 0 "[ . 1 . 2]" 1 145 GLU 20.554 0.615 8 4 "[- . + * . *2]" 1 146 ARG 6.805 0.285 18 0 "[ . 1 . 2]" 1 147 LYS 13.474 0.400 12 0 "[ . 1 . 2]" 1 148 GLN 4.064 0.454 8 0 "[ . 1 . 2]" 1 149 LYS 3.929 0.562 19 2 "[ . 1 .- +2]" 1 150 ARG 18.352 0.623 5 3 "[ +-* 1 . 2]" 1 151 SER 1.423 0.503 6 1 "[ .+ 1 . 2]" 1 152 GLY 0.057 0.021 6 0 "[ . 1 . 2]" 1 153 PRO 0.000 0.000 . 0 "[ . 1 . 2]" 1 154 SER 0.253 0.053 8 0 "[ . 1 . 2]" 1 155 SER 0.253 0.053 8 0 "[ . 1 . 2]" 1 156 GLY 0.000 0.000 . 0 "[ . 1 . 2]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 7 GLY QA 1 8 ALA H . . 3.520 2.285 2.175 2.618 . 0 0 "[ . 1 . 2]" 1 2 1 7 GLY QA 1 8 ALA MB . . 4.600 3.660 3.393 4.129 . 0 0 "[ . 1 . 2]" 1 3 1 8 ALA H 1 8 ALA MB . . 3.520 2.602 2.062 2.919 . 0 0 "[ . 1 . 2]" 1 4 1 8 ALA HA 1 9 SER H . . 3.370 2.324 2.186 2.548 . 0 0 "[ . 1 . 2]" 1 5 1 8 ALA MB 1 9 SER H . . 4.330 3.141 2.306 3.787 . 0 0 "[ . 1 . 2]" 1 6 1 9 SER H 1 9 SER QB . . 3.380 2.658 2.003 3.379 . 0 0 "[ . 1 . 2]" 1 7 1 9 SER HA 1 10 ARG H . . 3.040 2.388 2.216 2.705 . 0 0 "[ . 1 . 2]" 1 8 1 9 SER HA 1 10 ARG QB . . 4.720 4.323 3.989 4.667 . 0 0 "[ . 1 . 2]" 1 9 1 9 SER QB 1 10 ARG H . . 4.070 3.350 2.441 4.049 . 0 0 "[ . 1 . 2]" 1 10 1 9 SER QB 1 10 ARG QG . . 4.860 4.366 3.106 4.969 0.109 4 0 "[ . 1 . 2]" 1 11 1 10 ARG H 1 10 ARG QG . . 4.140 3.207 2.294 3.973 . 0 0 "[ . 1 . 2]" 1 12 1 10 ARG H 1 11 PRO HD3 . . 4.620 4.527 3.899 4.748 0.128 4 0 "[ . 1 . 2]" 1 13 1 10 ARG HA 1 10 ARG QD . . 4.160 2.699 1.994 3.856 . 0 0 "[ . 1 . 2]" 1 14 1 10 ARG HA 1 10 ARG QG . . 3.710 2.625 1.970 3.421 . 0 0 "[ . 1 . 2]" 1 15 1 10 ARG HA 1 11 PRO HD2 . . 2.960 2.790 2.632 2.933 . 0 0 "[ . 1 . 2]" 1 16 1 10 ARG HA 1 11 PRO HD3 . . 3.150 2.062 1.982 2.151 . 0 0 "[ . 1 . 2]" 1 17 1 10 ARG QB 1 11 PRO HD2 . . 3.370 2.139 1.942 2.382 . 0 0 "[ . 1 . 2]" 1 18 1 10 ARG QB 1 11 PRO HD3 . . 3.380 3.109 2.692 3.327 . 0 0 "[ . 1 . 2]" 1 19 1 10 ARG QD 1 11 PRO HG2 . . 4.490 3.998 3.259 4.441 . 0 0 "[ . 1 . 2]" 1 20 1 10 ARG QG 1 11 PRO HD2 . . 4.550 3.663 2.576 4.150 . 0 0 "[ . 1 . 2]" 1 21 1 11 PRO HA 1 12 HIS H . . 3.430 2.658 2.187 3.541 0.111 1 0 "[ . 1 . 2]" 1 22 1 11 PRO HB2 1 12 HIS H . . 4.710 2.377 1.923 4.092 . 0 0 "[ . 1 . 2]" 1 23 1 11 PRO HB2 1 12 HIS HA . . 4.450 4.228 3.827 4.528 0.078 12 0 "[ . 1 . 2]" 1 24 1 11 PRO HB2 1 12 HIS QB . . 4.560 4.140 3.347 4.671 0.111 16 0 "[ . 1 . 2]" 1 25 1 12 HIS H 1 12 HIS HD2 . . 5.240 4.363 3.157 5.248 0.008 18 0 "[ . 1 . 2]" 1 26 1 12 HIS HA 1 14 TRP H . . 5.210 4.312 2.927 5.219 0.009 11 0 "[ . 1 . 2]" 1 27 1 12 HIS QB 1 12 HIS HD2 . . 3.710 3.041 2.651 3.329 . 0 0 "[ . 1 . 2]" 1 28 1 12 HIS QB 1 13 GLN H . . 4.430 2.634 1.946 4.023 . 0 0 "[ . 1 . 2]" 1 29 1 13 GLN H 1 13 GLN QB . . 3.880 2.840 2.203 3.520 . 0 0 "[ . 1 . 2]" 1 30 1 13 GLN H 1 13 GLN HG2 . . 4.500 3.893 2.616 4.961 0.461 13 0 "[ . 1 . 2]" 1 31 1 13 GLN H 1 13 GLN HG3 . . 4.820 3.914 2.557 4.486 . 0 0 "[ . 1 . 2]" 1 32 1 13 GLN H 1 14 TRP H . . 4.540 2.604 1.877 4.237 . 0 0 "[ . 1 . 2]" 1 33 1 13 GLN HA 1 13 GLN HG2 . . 3.840 2.963 2.374 3.844 0.004 1 0 "[ . 1 . 2]" 1 34 1 13 GLN HA 1 13 GLN HG3 . . 3.890 3.058 2.027 3.862 . 0 0 "[ . 1 . 2]" 1 35 1 13 GLN HA 1 14 TRP H . . 3.470 3.470 2.250 3.645 0.175 12 0 "[ . 1 . 2]" 1 36 1 13 GLN HA 1 14 TRP HD1 . . 4.770 4.162 2.701 4.611 . 0 0 "[ . 1 . 2]" 1 37 1 13 GLN QB 1 14 TRP H . . 4.240 2.738 2.275 3.807 . 0 0 "[ . 1 . 2]" 1 38 1 13 GLN QB 1 14 TRP HD1 . . 4.400 1.999 1.879 2.673 . 0 0 "[ . 1 . 2]" 1 39 1 13 GLN QB 1 14 TRP HE1 . . 4.990 3.445 3.009 3.851 . 0 0 "[ . 1 . 2]" 1 40 1 13 GLN QB 1 131 ARG QG . . 4.150 3.874 2.640 5.232 1.082 1 4 "[+ . 1* . * -2]" 1 41 1 13 GLN HG2 1 14 TRP HD1 . . 4.580 3.975 2.526 4.703 0.123 18 0 "[ . 1 . 2]" 1 42 1 13 GLN HG3 1 14 TRP H . . 4.610 4.456 2.038 5.382 0.772 7 1 "[ . + 1 . 2]" 1 43 1 13 GLN HG3 1 14 TRP HD1 . . 4.560 3.975 2.000 4.882 0.322 13 0 "[ . 1 . 2]" 1 44 1 13 GLN HG3 1 14 TRP HE1 . . 5.380 5.051 3.067 6.320 0.940 17 2 "[ . 1- . + 2]" 1 45 1 14 TRP H 1 14 TRP HB3 . . 3.840 3.680 3.577 4.134 0.294 11 0 "[ . 1 . 2]" 1 46 1 14 TRP H 1 14 TRP HD1 . . 4.060 2.372 1.891 3.014 . 0 0 "[ . 1 . 2]" 1 47 1 14 TRP H 1 15 GLN H . . 3.860 2.370 1.927 2.805 . 0 0 "[ . 1 . 2]" 1 48 1 14 TRP H 1 15 GLN HA . . 5.110 4.863 4.437 5.122 0.012 11 0 "[ . 1 . 2]" 1 49 1 14 TRP H 1 15 GLN HB3 . . 5.020 4.122 3.653 4.768 . 0 0 "[ . 1 . 2]" 1 50 1 14 TRP H 1 16 THR H . . 5.420 3.521 2.944 3.889 . 0 0 "[ . 1 . 2]" 1 51 1 14 TRP HB2 1 15 GLN H . . 4.780 2.455 2.049 3.456 . 0 0 "[ . 1 . 2]" 1 52 1 14 TRP HB2 1 134 HIS HE1 . . 4.560 4.090 3.390 4.995 0.435 17 0 "[ . 1 . 2]" 1 53 1 14 TRP HB3 1 15 GLN H . . 4.310 3.519 3.080 4.296 . 0 0 "[ . 1 . 2]" 1 54 1 14 TRP HB3 1 134 HIS HD2 . . 4.240 3.928 3.030 4.757 0.517 5 1 "[ + 1 . 2]" 1 55 1 14 TRP HB3 1 134 HIS HE1 . . 5.050 3.063 2.383 3.814 . 0 0 "[ . 1 . 2]" 1 56 1 14 TRP HD1 1 15 GLN H . . 5.250 4.330 3.936 4.620 . 0 0 "[ . 1 . 2]" 1 57 1 14 TRP HD1 1 131 ARG QD . . 4.800 3.753 2.961 4.429 . 0 0 "[ . 1 . 2]" 1 58 1 14 TRP HD1 1 131 ARG QG . . 4.830 3.648 3.001 5.424 0.594 19 1 "[ . 1 . +2]" 1 59 1 14 TRP HE1 1 130 GLU QB . . 5.470 4.754 4.289 5.204 . 0 0 "[ . 1 . 2]" 1 60 1 14 TRP HE1 1 131 ARG H . . 5.500 5.190 4.617 5.445 . 0 0 "[ . 1 . 2]" 1 61 1 14 TRP HE1 1 131 ARG QD . . 4.350 2.928 1.936 3.762 . 0 0 "[ . 1 . 2]" 1 62 1 14 TRP HE1 1 131 ARG QG . . 5.360 3.085 2.407 4.624 . 0 0 "[ . 1 . 2]" 1 63 1 14 TRP HE3 1 134 HIS H . . 4.900 4.711 4.442 4.967 0.067 17 0 "[ . 1 . 2]" 1 64 1 14 TRP HE3 1 134 HIS HA . . 4.050 4.116 4.062 4.166 0.116 7 0 "[ . 1 . 2]" 1 65 1 14 TRP HE3 1 134 HIS HB2 . . 4.120 2.090 1.944 2.386 . 0 0 "[ . 1 . 2]" 1 66 1 14 TRP HE3 1 134 HIS HB3 . . 4.410 3.016 2.460 3.394 . 0 0 "[ . 1 . 2]" 1 67 1 14 TRP HH2 1 128 THR MG . . 4.950 4.256 3.823 4.546 . 0 0 "[ . 1 . 2]" 1 68 1 14 TRP HH2 1 130 GLU QB . . 3.860 2.100 1.971 2.337 . 0 0 "[ . 1 . 2]" 1 69 1 14 TRP HH2 1 130 GLU HG2 . . 4.460 2.181 1.991 2.374 . 0 0 "[ . 1 . 2]" 1 70 1 14 TRP HH2 1 130 GLU HG3 . . 4.280 2.267 2.079 3.427 . 0 0 "[ . 1 . 2]" 1 71 1 14 TRP HH2 1 131 ARG H . . 5.070 4.040 3.539 4.616 . 0 0 "[ . 1 . 2]" 1 72 1 14 TRP HH2 1 131 ARG HA . . 4.740 3.954 3.136 4.659 . 0 0 "[ . 1 . 2]" 1 73 1 14 TRP HZ2 1 128 THR MG . . 4.410 3.271 2.832 3.743 . 0 0 "[ . 1 . 2]" 1 74 1 14 TRP HZ2 1 130 GLU QB . . 4.460 2.374 2.009 2.890 . 0 0 "[ . 1 . 2]" 1 75 1 14 TRP HZ2 1 130 GLU HG3 . . 4.780 4.305 4.068 5.432 0.652 12 1 "[ . 1 + . 2]" 1 76 1 14 TRP HZ2 1 131 ARG H . . 5.330 3.774 3.182 4.163 . 0 0 "[ . 1 . 2]" 1 77 1 14 TRP HZ2 1 131 ARG HA . . 4.690 4.074 3.372 4.584 . 0 0 "[ . 1 . 2]" 1 78 1 14 TRP HZ3 1 130 GLU QB . . 4.760 4.048 3.603 4.567 . 0 0 "[ . 1 . 2]" 1 79 1 14 TRP HZ3 1 130 GLU HG2 . . 4.500 4.370 2.921 4.579 0.079 18 0 "[ . 1 . 2]" 1 80 1 14 TRP HZ3 1 130 GLU HG3 . . 4.630 3.822 3.461 4.642 0.012 12 0 "[ . 1 . 2]" 1 81 1 14 TRP HZ3 1 131 ARG HA . . 4.730 3.797 3.122 4.391 . 0 0 "[ . 1 . 2]" 1 82 1 14 TRP HZ3 1 134 HIS HB2 . . 5.090 2.245 2.003 2.527 . 0 0 "[ . 1 . 2]" 1 83 1 15 GLN H 1 15 GLN HB2 . . 3.560 2.707 2.630 3.039 . 0 0 "[ . 1 . 2]" 1 84 1 15 GLN H 1 15 GLN HB3 . . 3.330 2.289 2.156 2.349 . 0 0 "[ . 1 . 2]" 1 85 1 15 GLN H 1 15 GLN QG . . 4.010 3.868 3.763 3.917 . 0 0 "[ . 1 . 2]" 1 86 1 15 GLN H 1 16 THR H . . 3.740 2.839 2.220 3.017 . 0 0 "[ . 1 . 2]" 1 87 1 15 GLN H 1 16 THR HB . . 5.420 5.146 4.549 5.288 . 0 0 "[ . 1 . 2]" 1 88 1 15 GLN H 1 16 THR MG . . 5.500 3.835 3.213 4.150 . 0 0 "[ . 1 . 2]" 1 89 1 15 GLN HA 1 15 GLN QG . . 3.090 2.636 2.604 2.696 . 0 0 "[ . 1 . 2]" 1 90 1 15 GLN HA 1 18 GLU H . . 4.470 3.037 2.785 3.288 . 0 0 "[ . 1 . 2]" 1 91 1 15 GLN HA 1 18 GLU HB2 . . 4.310 2.614 1.976 2.946 . 0 0 "[ . 1 . 2]" 1 92 1 15 GLN HA 1 18 GLU HB3 . . 4.170 3.173 1.998 4.320 0.150 19 0 "[ . 1 . 2]" 1 93 1 15 GLN HB2 1 16 THR H . . 4.160 4.108 3.983 4.273 0.113 11 0 "[ . 1 . 2]" 1 94 1 15 GLN HB3 1 16 THR H . . 3.810 2.803 2.606 3.074 . 0 0 "[ . 1 . 2]" 1 95 1 15 GLN HB3 1 16 THR HB . . 4.610 4.603 4.351 4.716 0.106 11 0 "[ . 1 . 2]" 1 96 1 15 GLN QE 1 16 THR HA . . 5.430 5.530 3.992 6.015 0.585 6 3 "[ .+ - . *2]" 1 97 1 15 GLN QG 1 16 THR H . . 4.490 3.260 3.035 3.358 . 0 0 "[ . 1 . 2]" 1 98 1 15 GLN QG 1 16 THR HB . . 4.340 4.285 4.083 4.413 0.073 9 0 "[ . 1 . 2]" 1 99 1 15 GLN QG 1 16 THR MG . . 4.520 4.606 4.547 4.676 0.156 18 0 "[ . 1 . 2]" 1 100 1 15 GLN QG 1 18 GLU H . . 3.910 3.811 3.622 4.061 0.151 7 0 "[ . 1 . 2]" 1 101 1 15 GLN QG 1 19 GLU H . . 5.030 3.961 3.253 4.311 . 0 0 "[ . 1 . 2]" 1 102 1 16 THR H 1 16 THR HB . . 3.680 2.448 2.336 2.519 . 0 0 "[ . 1 . 2]" 1 103 1 16 THR H 1 16 THR MG . . 3.350 2.048 1.919 2.338 . 0 0 "[ . 1 . 2]" 1 104 1 16 THR H 1 17 ASP HB2 . . 5.290 4.875 4.442 5.079 . 0 0 "[ . 1 . 2]" 1 105 1 16 THR H 1 18 GLU H . . 5.250 3.950 3.735 4.362 . 0 0 "[ . 1 . 2]" 1 106 1 16 THR HA 1 16 THR MG . . 3.220 3.240 3.229 3.246 0.026 1 0 "[ . 1 . 2]" 1 107 1 16 THR HA 1 18 GLU H . . 4.590 3.871 3.527 4.501 . 0 0 "[ . 1 . 2]" 1 108 1 16 THR HA 1 19 GLU H . . 4.170 3.492 3.107 4.276 0.106 7 0 "[ . 1 . 2]" 1 109 1 16 THR HA 1 19 GLU HG2 . . 4.350 3.233 2.076 4.991 0.641 10 1 "[ . + . 2]" 1 110 1 16 THR MG 1 17 ASP H . . 5.160 2.279 1.882 2.622 . 0 0 "[ . 1 . 2]" 1 111 1 16 THR MG 1 17 ASP HB3 . . 5.010 4.583 4.288 4.722 . 0 0 "[ . 1 . 2]" 1 112 1 16 THR MG 1 18 GLU H . . 4.690 4.160 3.869 4.372 . 0 0 "[ . 1 . 2]" 1 113 1 17 ASP H 1 18 GLU H . . 4.020 2.344 2.121 2.624 . 0 0 "[ . 1 . 2]" 1 114 1 17 ASP H 1 19 GLU H . . 5.310 4.008 3.779 4.628 . 0 0 "[ . 1 . 2]" 1 115 1 17 ASP HA 1 19 GLU H . . 5.330 3.944 3.547 4.871 . 0 0 "[ . 1 . 2]" 1 116 1 17 ASP HA 1 20 GLY H . . 4.260 3.406 3.089 3.640 . 0 0 "[ . 1 . 2]" 1 117 1 17 ASP HA 1 20 GLY HA3 . . 4.780 3.816 3.546 4.111 . 0 0 "[ . 1 . 2]" 1 118 1 17 ASP HA 1 21 VAL H . . 5.420 4.458 3.873 5.434 0.014 7 0 "[ . 1 . 2]" 1 119 1 17 ASP HB2 1 18 GLU H . . 4.780 3.193 2.532 3.609 . 0 0 "[ . 1 . 2]" 1 120 1 17 ASP HB2 1 134 HIS HE1 . . 4.230 3.245 2.679 3.988 . 0 0 "[ . 1 . 2]" 1 121 1 17 ASP HB2 1 135 ALA MB . . 4.430 3.667 3.253 4.363 . 0 0 "[ . 1 . 2]" 1 122 1 17 ASP HB3 1 18 GLU H . . 4.600 3.961 3.590 4.267 . 0 0 "[ . 1 . 2]" 1 123 1 17 ASP HB3 1 134 HIS HE1 . . 4.680 4.394 2.600 4.734 0.054 18 0 "[ . 1 . 2]" 1 124 1 17 ASP HB3 1 135 ALA MB . . 4.830 2.455 1.971 3.477 . 0 0 "[ . 1 . 2]" 1 125 1 18 GLU H 1 18 GLU HB2 . . 3.530 2.462 2.299 2.705 . 0 0 "[ . 1 . 2]" 1 126 1 18 GLU H 1 18 GLU HB3 . . 3.690 2.932 2.463 3.644 . 0 0 "[ . 1 . 2]" 1 127 1 18 GLU H 1 19 GLU H . . 3.980 2.409 2.138 2.954 . 0 0 "[ . 1 . 2]" 1 128 1 18 GLU H 1 20 GLY H . . 5.180 4.101 3.735 4.938 . 0 0 "[ . 1 . 2]" 1 129 1 18 GLU H 1 134 HIS HE1 . . 4.280 3.256 2.289 3.891 . 0 0 "[ . 1 . 2]" 1 130 1 18 GLU HA 1 18 GLU QG . . 3.520 2.259 2.124 2.372 . 0 0 "[ . 1 . 2]" 1 131 1 18 GLU HA 1 21 VAL H . . 4.310 3.901 3.583 4.089 . 0 0 "[ . 1 . 2]" 1 132 1 18 GLU HA 1 21 VAL HB . . 3.900 3.884 3.495 4.029 0.129 5 0 "[ . 1 . 2]" 1 133 1 18 GLU HA 1 21 VAL MG1 . . 3.800 2.111 1.899 3.121 . 0 0 "[ . 1 . 2]" 1 134 1 18 GLU HA 1 134 HIS HE1 . . 4.830 3.930 2.611 4.774 . 0 0 "[ . 1 . 2]" 1 135 1 18 GLU HA 1 138 CYS HB2 . . 4.450 3.661 3.106 4.372 . 0 0 "[ . 1 . 2]" 1 136 1 18 GLU HA 1 138 CYS HB3 . . 4.260 2.717 2.054 3.686 . 0 0 "[ . 1 . 2]" 1 137 1 18 GLU HB2 1 19 GLU H . . 4.150 3.709 2.857 4.239 0.089 14 0 "[ . 1 . 2]" 1 138 1 18 GLU HB2 1 134 HIS HE1 . . 4.370 2.888 1.964 4.348 . 0 0 "[ . 1 . 2]" 1 139 1 18 GLU HB3 1 19 GLU H . . 4.010 3.411 2.158 4.159 0.149 13 0 "[ . 1 . 2]" 1 140 1 18 GLU HB3 1 134 HIS HE1 . . 4.970 4.107 3.332 4.943 . 0 0 "[ . 1 . 2]" 1 141 1 18 GLU QG 1 19 GLU H . . 4.550 4.174 3.837 4.256 . 0 0 "[ . 1 . 2]" 1 142 1 18 GLU QG 1 134 HIS HE1 . . 4.410 3.321 1.800 4.279 . 0 0 "[ . 1 . 2]" 1 143 1 19 GLU H 1 19 GLU HB3 . . 3.410 2.789 2.184 3.634 0.224 1 0 "[ . 1 . 2]" 1 144 1 19 GLU H 1 19 GLU HG2 . . 3.890 2.593 1.928 3.440 . 0 0 "[ . 1 . 2]" 1 145 1 19 GLU H 1 19 GLU HG3 . . 3.570 3.278 2.259 3.896 0.326 7 0 "[ . 1 . 2]" 1 146 1 19 GLU H 1 20 GLY H . . 3.710 2.376 2.202 2.924 . 0 0 "[ . 1 . 2]" 1 147 1 19 GLU H 1 21 VAL H . . 5.370 3.613 3.406 4.181 . 0 0 "[ . 1 . 2]" 1 148 1 19 GLU H 1 23 THR MG . . 5.500 4.774 4.443 5.398 . 0 0 "[ . 1 . 2]" 1 149 1 19 GLU HA 1 19 GLU HB3 . . 2.880 2.564 2.348 2.630 . 0 0 "[ . 1 . 2]" 1 150 1 19 GLU HA 1 19 GLU HG2 . . 3.690 3.412 2.295 3.798 0.108 4 0 "[ . 1 . 2]" 1 151 1 19 GLU HA 1 22 ARG QD . . 3.940 2.836 1.997 4.095 0.155 2 0 "[ . 1 . 2]" 1 152 1 19 GLU HA 1 22 ARG HG3 . . 4.400 2.896 2.220 4.161 . 0 0 "[ . 1 . 2]" 1 153 1 19 GLU HA 1 23 THR H . . 4.520 3.936 3.466 4.451 . 0 0 "[ . 1 . 2]" 1 154 1 19 GLU HA 1 23 THR MG . . 4.680 3.290 2.691 4.156 . 0 0 "[ . 1 . 2]" 1 155 1 19 GLU HB2 1 20 GLY H . . 3.900 3.532 2.129 4.091 0.191 8 0 "[ . 1 . 2]" 1 156 1 19 GLU HB2 1 23 THR MG . . 3.780 2.976 1.980 3.712 . 0 0 "[ . 1 . 2]" 1 157 1 19 GLU HB3 1 20 GLY H . . 3.770 3.659 3.100 4.138 0.368 6 0 "[ . 1 . 2]" 1 158 1 19 GLU HG2 1 20 GLY H . . 4.610 2.745 1.923 4.747 0.137 1 0 "[ . 1 . 2]" 1 159 1 19 GLU HG2 1 23 THR MG . . 4.130 3.996 3.464 4.583 0.453 6 0 "[ . 1 . 2]" 1 160 1 19 GLU HG3 1 20 GLY H . . 4.280 2.892 1.910 4.226 . 0 0 "[ . 1 . 2]" 1 161 1 19 GLU HG3 1 23 THR MG . . 3.750 3.160 2.058 4.696 0.946 10 5 "[* . -+ ** 2]" 1 162 1 20 GLY H 1 21 VAL H . . 4.030 2.765 2.599 2.933 . 0 0 "[ . 1 . 2]" 1 163 1 20 GLY H 1 21 VAL MG1 . . 4.200 3.927 3.681 4.297 0.097 7 0 "[ . 1 . 2]" 1 164 1 20 GLY H 1 22 ARG H . . 4.890 4.248 3.864 4.653 . 0 0 "[ . 1 . 2]" 1 165 1 20 GLY H 1 23 THR MG . . 3.850 3.873 3.643 4.049 0.199 18 0 "[ . 1 . 2]" 1 166 1 20 GLY H 1 26 CYS HB2 . . 5.290 3.175 2.850 3.381 . 0 0 "[ . 1 . 2]" 1 167 1 20 GLY HA2 1 22 ARG H . . 4.770 4.191 3.823 4.756 . 0 0 "[ . 1 . 2]" 1 168 1 20 GLY HA2 1 23 THR H . . 4.830 3.340 3.012 3.621 . 0 0 "[ . 1 . 2]" 1 169 1 20 GLY HA2 1 25 LYS HB3 . . 4.610 4.432 4.257 4.678 0.068 18 0 "[ . 1 . 2]" 1 170 1 20 GLY HA2 1 26 CYS H . . 4.350 3.806 3.507 4.002 . 0 0 "[ . 1 . 2]" 1 171 1 20 GLY HA2 1 26 CYS HB2 . . 4.520 3.548 3.455 3.646 . 0 0 "[ . 1 . 2]" 1 172 1 20 GLY HA2 1 26 CYS HB3 . . 4.550 4.626 4.462 4.760 0.210 5 0 "[ . 1 . 2]" 1 173 1 20 GLY HA3 1 23 THR MG . . 4.680 4.273 3.309 4.722 0.042 1 0 "[ . 1 . 2]" 1 174 1 20 GLY HA3 1 24 GLY H . . 4.960 3.855 3.591 4.205 . 0 0 "[ . 1 . 2]" 1 175 1 20 GLY HA3 1 25 LYS H . . 4.370 2.775 2.420 3.091 . 0 0 "[ . 1 . 2]" 1 176 1 20 GLY HA3 1 25 LYS HB2 . . 4.550 4.470 4.209 4.653 0.103 19 0 "[ . 1 . 2]" 1 177 1 20 GLY HA3 1 25 LYS QG . . 4.570 3.136 2.707 3.402 . 0 0 "[ . 1 . 2]" 1 178 1 20 GLY HA3 1 26 CYS H . . 4.570 3.080 2.749 3.311 . 0 0 "[ . 1 . 2]" 1 179 1 20 GLY HA3 1 26 CYS HB2 . . 4.770 2.124 1.971 2.271 . 0 0 "[ . 1 . 2]" 1 180 1 20 GLY HA3 1 26 CYS HB3 . . 4.590 3.448 3.252 3.644 . 0 0 "[ . 1 . 2]" 1 181 1 21 VAL H 1 21 VAL HB . . 3.740 2.655 2.415 2.830 . 0 0 "[ . 1 . 2]" 1 182 1 21 VAL H 1 21 VAL MG1 . . 3.260 1.993 1.856 2.220 . 0 0 "[ . 1 . 2]" 1 183 1 21 VAL H 1 21 VAL MG2 . . 4.080 3.741 3.713 3.782 . 0 0 "[ . 1 . 2]" 1 184 1 21 VAL H 1 22 ARG H . . 3.950 2.289 2.064 2.610 . 0 0 "[ . 1 . 2]" 1 185 1 21 VAL H 1 23 THR H . . 4.600 3.603 3.330 3.965 . 0 0 "[ . 1 . 2]" 1 186 1 21 VAL H 1 23 THR MG . . 5.370 4.226 3.799 4.391 . 0 0 "[ . 1 . 2]" 1 187 1 21 VAL H 1 26 CYS HB2 . . 4.930 2.663 2.292 3.009 . 0 0 "[ . 1 . 2]" 1 188 1 21 VAL H 1 26 CYS HB3 . . 4.610 3.751 3.342 4.114 . 0 0 "[ . 1 . 2]" 1 189 1 21 VAL HA 1 21 VAL MG1 . . 3.280 3.212 3.201 3.218 . 0 0 "[ . 1 . 2]" 1 190 1 21 VAL HA 1 21 VAL MG2 . . 3.430 2.329 2.228 2.448 . 0 0 "[ . 1 . 2]" 1 191 1 21 VAL HA 1 26 CYS H . . 4.090 4.008 3.718 4.210 0.120 20 0 "[ . 1 . 2]" 1 192 1 21 VAL HA 1 26 CYS HB2 . . 4.180 3.308 3.085 3.492 . 0 0 "[ . 1 . 2]" 1 193 1 21 VAL HA 1 26 CYS HB3 . . 4.200 2.840 2.569 3.393 . 0 0 "[ . 1 . 2]" 1 194 1 21 VAL HA 1 69 SER HA . . 3.730 2.480 2.140 2.795 . 0 0 "[ . 1 . 2]" 1 195 1 21 VAL HA 1 70 ALA H . . 4.450 3.916 3.597 4.278 . 0 0 "[ . 1 . 2]" 1 196 1 21 VAL HA 1 139 ALA MB . . 4.680 4.310 4.145 4.582 . 0 0 "[ . 1 . 2]" 1 197 1 21 VAL HB 1 22 ARG H . . 4.130 4.091 3.817 4.275 0.145 18 0 "[ . 1 . 2]" 1 198 1 21 VAL HB 1 69 SER HA . . 4.370 3.937 3.638 4.267 . 0 0 "[ . 1 . 2]" 1 199 1 21 VAL HB 1 139 ALA H . . 4.600 4.129 3.808 4.389 . 0 0 "[ . 1 . 2]" 1 200 1 21 VAL HB 1 139 ALA HA . . 4.660 4.477 4.162 4.666 0.006 7 0 "[ . 1 . 2]" 1 201 1 21 VAL HB 1 139 ALA MB . . 4.110 3.882 3.635 4.182 0.072 7 0 "[ . 1 . 2]" 1 202 1 21 VAL MG1 1 22 ARG H . . 4.330 2.190 1.810 2.812 . 0 0 "[ . 1 . 2]" 1 203 1 21 VAL MG1 1 22 ARG HA . . 4.780 3.521 3.222 3.796 . 0 0 "[ . 1 . 2]" 1 204 1 21 VAL MG1 1 26 CYS HB2 . . 4.090 3.795 3.740 3.938 . 0 0 "[ . 1 . 2]" 1 205 1 21 VAL MG1 1 138 CYS H . . 4.960 4.869 4.775 4.916 . 0 0 "[ . 1 . 2]" 1 206 1 21 VAL MG1 1 138 CYS HA . . 4.670 4.135 3.825 4.358 . 0 0 "[ . 1 . 2]" 1 207 1 21 VAL MG1 1 138 CYS HB2 . . 3.660 3.012 2.809 3.301 . 0 0 "[ . 1 . 2]" 1 208 1 21 VAL MG1 1 138 CYS HB3 . . 3.810 2.021 1.938 2.334 . 0 0 "[ . 1 . 2]" 1 209 1 21 VAL MG1 1 139 ALA H . . 4.780 3.828 3.532 4.056 . 0 0 "[ . 1 . 2]" 1 210 1 21 VAL MG1 1 139 ALA HA . . 3.600 3.512 3.355 3.674 0.074 5 0 "[ . 1 . 2]" 1 211 1 21 VAL MG2 1 22 ARG H . . 4.490 3.863 3.525 4.191 . 0 0 "[ . 1 . 2]" 1 212 1 21 VAL MG2 1 22 ARG HA . . 4.220 3.871 3.605 4.111 . 0 0 "[ . 1 . 2]" 1 213 1 21 VAL MG2 1 26 CYS HB2 . . 4.380 4.442 4.138 4.591 0.211 5 0 "[ . 1 . 2]" 1 214 1 21 VAL MG2 1 26 CYS HB3 . . 4.320 3.930 3.597 4.204 . 0 0 "[ . 1 . 2]" 1 215 1 21 VAL MG2 1 69 SER HA . . 3.570 2.190 1.941 2.555 . 0 0 "[ . 1 . 2]" 1 216 1 21 VAL MG2 1 69 SER HB3 . . 4.560 4.061 3.658 4.543 . 0 0 "[ . 1 . 2]" 1 217 1 21 VAL MG2 1 70 ALA H . . 3.830 2.580 2.174 3.219 . 0 0 "[ . 1 . 2]" 1 218 1 21 VAL MG2 1 70 ALA HA . . 4.060 3.112 2.797 3.498 . 0 0 "[ . 1 . 2]" 1 219 1 21 VAL MG2 1 138 CYS HB2 . . 3.970 3.115 2.720 3.606 . 0 0 "[ . 1 . 2]" 1 220 1 21 VAL MG2 1 138 CYS HB3 . . 3.910 3.087 2.611 3.584 . 0 0 "[ . 1 . 2]" 1 221 1 21 VAL MG2 1 139 ALA H . . 3.550 2.425 1.922 2.913 . 0 0 "[ . 1 . 2]" 1 222 1 21 VAL MG2 1 139 ALA HA . . 3.360 1.918 1.811 2.021 . 0 0 "[ . 1 . 2]" 1 223 1 21 VAL MG2 1 139 ALA MB . . 3.020 1.918 1.802 2.056 . 0 0 "[ . 1 . 2]" 1 224 1 21 VAL MG2 1 142 ALA H . . 5.410 4.396 4.065 4.712 . 0 0 "[ . 1 . 2]" 1 225 1 21 VAL MG2 1 142 ALA MB . . 3.830 2.898 2.548 3.169 . 0 0 "[ . 1 . 2]" 1 226 1 22 ARG H 1 22 ARG HG2 . . 3.810 2.211 1.862 3.114 . 0 0 "[ . 1 . 2]" 1 227 1 22 ARG H 1 22 ARG HG3 . . 3.990 2.701 2.233 4.038 0.048 11 0 "[ . 1 . 2]" 1 228 1 22 ARG H 1 23 THR H . . 3.770 2.204 2.033 2.568 . 0 0 "[ . 1 . 2]" 1 229 1 22 ARG H 1 23 THR HA . . 5.300 4.854 4.722 5.105 . 0 0 "[ . 1 . 2]" 1 230 1 22 ARG H 1 23 THR MG . . 4.210 3.428 3.229 3.596 . 0 0 "[ . 1 . 2]" 1 231 1 22 ARG H 1 24 GLY H . . 4.790 3.899 3.374 4.630 . 0 0 "[ . 1 . 2]" 1 232 1 22 ARG HA 1 23 THR MG . . 5.140 4.695 4.247 5.170 0.030 8 0 "[ . 1 . 2]" 1 233 1 22 ARG QB 1 22 ARG QD . . 2.990 2.169 2.010 2.616 . 0 0 "[ . 1 . 2]" 1 234 1 22 ARG QD 1 23 THR MG . . 4.410 3.473 2.311 4.560 0.150 13 0 "[ . 1 . 2]" 1 235 1 22 ARG HG2 1 23 THR H . . 5.110 3.119 2.167 4.131 . 0 0 "[ . 1 . 2]" 1 236 1 22 ARG HG2 1 23 THR MG . . 4.360 3.299 2.508 4.335 . 0 0 "[ . 1 . 2]" 1 237 1 22 ARG HG3 1 23 THR H . . 5.110 2.429 1.869 3.319 . 0 0 "[ . 1 . 2]" 1 238 1 22 ARG HG3 1 23 THR HA . . 4.730 3.704 3.223 4.238 . 0 0 "[ . 1 . 2]" 1 239 1 23 THR H 1 23 THR HG1 . . 3.990 3.079 1.852 4.599 0.609 11 4 "[ * . 1+ * . -2]" 1 240 1 23 THR H 1 23 THR MG . . 3.230 2.161 1.911 2.577 . 0 0 "[ . 1 . 2]" 1 241 1 23 THR H 1 25 LYS H . . 4.550 4.361 4.062 4.544 . 0 0 "[ . 1 . 2]" 1 242 1 23 THR HA 1 23 THR MG . . 3.440 2.735 2.485 3.242 . 0 0 "[ . 1 . 2]" 1 243 1 23 THR HB 1 24 GLY H . . 4.040 3.730 3.294 4.128 0.088 14 0 "[ . 1 . 2]" 1 244 1 23 THR HB 1 25 LYS QE . . 4.480 3.764 3.229 4.299 . 0 0 "[ . 1 . 2]" 1 245 1 23 THR HB 1 25 LYS QG . . 4.390 3.728 3.197 4.319 . 0 0 "[ . 1 . 2]" 1 246 1 23 THR HG1 1 23 THR MG . . 3.400 2.288 1.926 2.998 . 0 0 "[ . 1 . 2]" 1 247 1 23 THR HG1 1 24 GLY H . . 4.930 2.930 1.913 4.819 . 0 0 "[ . 1 . 2]" 1 248 1 23 THR MG 1 24 GLY H . . 4.550 3.073 1.796 3.719 . 0 0 "[ . 1 . 2]" 1 249 1 23 THR MG 1 25 LYS QE . . 4.470 2.641 1.775 3.271 . 0 0 "[ . 1 . 2]" 1 250 1 24 GLY H 1 25 LYS H . . 3.550 2.374 2.117 2.641 . 0 0 "[ . 1 . 2]" 1 251 1 24 GLY H 1 25 LYS HA . . 5.000 4.800 4.570 5.049 0.049 13 0 "[ . 1 . 2]" 1 252 1 24 GLY H 1 25 LYS HB3 . . 5.080 4.735 4.350 4.988 . 0 0 "[ . 1 . 2]" 1 253 1 24 GLY H 1 25 LYS QG . . 3.400 2.749 2.369 3.027 . 0 0 "[ . 1 . 2]" 1 254 1 25 LYS H 1 25 LYS HB2 . . 3.950 4.008 3.920 4.068 0.118 8 0 "[ . 1 . 2]" 1 255 1 25 LYS H 1 25 LYS HB3 . . 3.840 3.683 3.599 3.725 . 0 0 "[ . 1 . 2]" 1 256 1 25 LYS H 1 25 LYS QE . . 4.660 4.551 3.925 4.772 0.112 19 0 "[ . 1 . 2]" 1 257 1 25 LYS H 1 25 LYS QG . . 3.770 2.515 2.274 2.676 . 0 0 "[ . 1 . 2]" 1 258 1 25 LYS H 1 26 CYS H . . 3.150 1.982 1.864 2.170 . 0 0 "[ . 1 . 2]" 1 259 1 25 LYS H 1 26 CYS HB2 . . 4.810 3.639 3.564 3.714 . 0 0 "[ . 1 . 2]" 1 260 1 25 LYS H 1 26 CYS HB3 . . 4.940 3.713 3.585 3.898 . 0 0 "[ . 1 . 2]" 1 261 1 25 LYS HA 1 67 TRP HZ3 . . 4.010 2.449 2.191 2.764 . 0 0 "[ . 1 . 2]" 1 262 1 25 LYS HB2 1 26 CYS H . . 4.660 4.540 4.516 4.565 . 0 0 "[ . 1 . 2]" 1 263 1 25 LYS HB2 1 67 TRP HZ3 . . 4.910 4.280 3.602 4.852 . 0 0 "[ . 1 . 2]" 1 264 1 25 LYS HB3 1 26 CYS H . . 4.570 4.711 4.686 4.723 0.153 15 0 "[ . 1 . 2]" 1 265 1 25 LYS QD 1 26 CYS H . . 4.340 4.059 3.824 4.360 0.020 20 0 "[ . 1 . 2]" 1 266 1 25 LYS QD 1 26 CYS HA . . 3.560 3.443 3.210 3.625 0.065 20 0 "[ . 1 . 2]" 1 267 1 25 LYS QE 1 25 LYS QG . . 2.870 2.210 2.004 2.411 . 0 0 "[ . 1 . 2]" 1 268 1 25 LYS QG 1 26 CYS H . . 4.960 4.066 3.781 4.260 . 0 0 "[ . 1 . 2]" 1 269 1 26 CYS H 1 26 CYS HB2 . . 3.670 2.987 2.846 3.082 . 0 0 "[ . 1 . 2]" 1 270 1 26 CYS H 1 26 CYS HB3 . . 3.790 2.430 2.377 2.511 . 0 0 "[ . 1 . 2]" 1 271 1 26 CYS H 1 26 CYS HG . . 5.430 4.518 4.419 4.698 . 0 0 "[ . 1 . 2]" 1 272 1 26 CYS H 1 27 SER H . . 4.430 3.531 3.195 3.845 . 0 0 "[ . 1 . 2]" 1 273 1 26 CYS H 1 67 TRP HE3 . . 4.890 3.707 3.502 3.974 . 0 0 "[ . 1 . 2]" 1 274 1 26 CYS H 1 67 TRP HZ3 . . 5.100 4.572 4.107 5.009 . 0 0 "[ . 1 . 2]" 1 275 1 26 CYS HA 1 27 SER H . . 3.000 2.551 2.412 2.741 . 0 0 "[ . 1 . 2]" 1 276 1 26 CYS HB2 1 27 SER H . . 4.550 4.699 4.647 4.723 0.173 18 0 "[ . 1 . 2]" 1 277 1 26 CYS HB2 1 68 VAL H . . 4.750 4.809 4.761 4.858 0.108 20 0 "[ . 1 . 2]" 1 278 1 26 CYS HB2 1 68 VAL HB . . 4.130 4.112 3.953 4.229 0.099 7 0 "[ . 1 . 2]" 1 279 1 26 CYS HB3 1 27 SER H . . 4.590 4.563 4.446 4.625 0.035 14 0 "[ . 1 . 2]" 1 280 1 26 CYS HB3 1 68 VAL H . . 5.500 3.211 3.126 3.302 . 0 0 "[ . 1 . 2]" 1 281 1 26 CYS HB3 1 68 VAL MG1 . . 4.670 3.972 3.416 4.405 . 0 0 "[ . 1 . 2]" 1 282 1 26 CYS HG 1 27 SER H . . 4.540 3.989 3.552 4.367 . 0 0 "[ . 1 . 2]" 1 283 1 27 SER H 1 28 PHE H . . 4.700 4.463 4.419 4.519 . 0 0 "[ . 1 . 2]" 1 284 1 27 SER H 1 28 PHE QD . . 5.190 3.773 3.508 4.429 . 0 0 "[ . 1 . 2]" 1 285 1 27 SER H 1 28 PHE QE . . 5.490 4.826 4.571 5.011 . 0 0 "[ . 1 . 2]" 1 286 1 27 SER H 1 65 VAL MG1 . . 5.500 4.696 4.591 4.843 . 0 0 "[ . 1 . 2]" 1 287 1 27 SER H 1 68 VAL H . . 5.500 4.517 4.349 4.692 . 0 0 "[ . 1 . 2]" 1 288 1 27 SER HA 1 28 PHE H . . 3.580 2.351 2.287 2.445 . 0 0 "[ . 1 . 2]" 1 289 1 27 SER HB2 1 28 PHE H . . 4.120 2.941 2.614 3.149 . 0 0 "[ . 1 . 2]" 1 290 1 27 SER HB2 1 28 PHE QD . . 4.900 4.811 4.678 4.938 0.038 10 0 "[ . 1 . 2]" 1 291 1 27 SER HB2 1 65 VAL MG1 . . 3.240 2.015 1.883 2.178 . 0 0 "[ . 1 . 2]" 1 292 1 27 SER HB2 1 67 TRP HD1 . . 4.840 3.547 2.976 4.112 . 0 0 "[ . 1 . 2]" 1 293 1 27 SER HB2 1 67 TRP HE3 . . 4.780 4.139 3.906 4.472 . 0 0 "[ . 1 . 2]" 1 294 1 27 SER HB2 1 68 VAL H . . 5.480 4.496 4.261 4.778 . 0 0 "[ . 1 . 2]" 1 295 1 27 SER HB3 1 28 PHE H . . 4.250 4.162 3.899 4.299 0.049 17 0 "[ . 1 . 2]" 1 296 1 27 SER HB3 1 65 VAL MG1 . . 3.550 3.298 3.156 3.424 . 0 0 "[ . 1 . 2]" 1 297 1 27 SER HB3 1 67 TRP HE1 . . 5.180 4.687 4.347 4.852 . 0 0 "[ . 1 . 2]" 1 298 1 27 SER HB3 1 67 TRP HE3 . . 4.370 2.613 2.427 2.978 . 0 0 "[ . 1 . 2]" 1 299 1 27 SER HB3 1 67 TRP HH2 . . 4.850 4.809 4.670 4.891 0.041 6 0 "[ . 1 . 2]" 1 300 1 27 SER HB3 1 67 TRP HZ3 . . 4.660 3.879 3.702 4.042 . 0 0 "[ . 1 . 2]" 1 301 1 27 SER HB3 1 68 VAL H . . 5.130 3.644 3.461 3.851 . 0 0 "[ . 1 . 2]" 1 302 1 28 PHE H 1 28 PHE QD . . 4.100 2.865 2.667 3.020 . 0 0 "[ . 1 . 2]" 1 303 1 28 PHE H 1 28 PHE QE . . 5.260 3.996 3.856 4.128 . 0 0 "[ . 1 . 2]" 1 304 1 28 PHE H 1 29 PRO QD . . 5.090 4.302 4.289 4.312 . 0 0 "[ . 1 . 2]" 1 305 1 28 PHE H 1 30 VAL MG1 . . 4.740 3.540 3.472 3.621 . 0 0 "[ . 1 . 2]" 1 306 1 28 PHE H 1 65 VAL HA . . 5.150 4.489 4.365 4.650 . 0 0 "[ . 1 . 2]" 1 307 1 28 PHE H 1 65 VAL MG1 . . 3.720 2.801 2.624 3.131 . 0 0 "[ . 1 . 2]" 1 308 1 28 PHE H 1 66 LEU H . . 4.320 3.115 3.011 3.260 . 0 0 "[ . 1 . 2]" 1 309 1 28 PHE H 1 66 LEU HB2 . . 5.130 5.056 4.965 5.090 . 0 0 "[ . 1 . 2]" 1 310 1 28 PHE H 1 66 LEU HB3 . . 5.170 3.549 3.461 3.622 . 0 0 "[ . 1 . 2]" 1 311 1 28 PHE H 1 66 LEU MD1 . . 4.850 4.947 4.768 4.993 0.143 20 0 "[ . 1 . 2]" 1 312 1 28 PHE H 1 66 LEU MD2 . . 4.820 4.848 4.544 4.933 0.113 1 0 "[ . 1 . 2]" 1 313 1 28 PHE HA 1 28 PHE QD . . 3.890 3.472 3.421 3.559 . 0 0 "[ . 1 . 2]" 1 314 1 28 PHE HA 1 29 PRO QD . . 3.350 2.047 2.021 2.071 . 0 0 "[ . 1 . 2]" 1 315 1 28 PHE HA 1 29 PRO HG3 . . 4.910 4.347 4.325 4.367 . 0 0 "[ . 1 . 2]" 1 316 1 28 PHE HB2 1 29 PRO QD . . 4.360 2.141 2.060 2.323 . 0 0 "[ . 1 . 2]" 1 317 1 28 PHE HB2 1 30 VAL MG1 . . 3.780 2.895 2.646 2.990 . 0 0 "[ . 1 . 2]" 1 318 1 28 PHE HB3 1 29 PRO QD . . 4.890 2.693 2.447 2.797 . 0 0 "[ . 1 . 2]" 1 319 1 28 PHE HB3 1 30 VAL MG1 . . 4.290 4.226 4.064 4.280 . 0 0 "[ . 1 . 2]" 1 320 1 28 PHE QD 1 29 PRO QD . . 4.410 3.911 3.846 4.021 . 0 0 "[ . 1 . 2]" 1 321 1 28 PHE QD 1 30 VAL MG1 . . 4.410 1.862 1.837 2.022 . 0 0 "[ . 1 . 2]" 1 322 1 28 PHE QD 1 66 LEU H . . 5.290 4.347 3.738 4.631 . 0 0 "[ . 1 . 2]" 1 323 1 28 PHE QD 1 66 LEU MD2 . . 3.650 3.460 2.649 3.658 0.008 4 0 "[ . 1 . 2]" 1 324 1 28 PHE QD 1 66 LEU HG . . 4.380 4.125 2.867 4.327 . 0 0 "[ . 1 . 2]" 1 325 1 28 PHE QD 1 68 VAL HB . . 4.320 5.217 4.660 5.934 1.614 7 19 "[******+ -***********]" 1 326 1 28 PHE QD 1 68 VAL MG2 . . 3.670 3.715 3.595 3.834 0.164 7 0 "[ . 1 . 2]" 1 327 1 28 PHE QD 1 132 LEU HA . . 4.730 4.486 4.065 4.821 0.091 2 0 "[ . 1 . 2]" 1 328 1 28 PHE QD 1 132 LEU MD1 . . 3.740 3.462 3.151 3.748 0.008 15 0 "[ . 1 . 2]" 1 329 1 28 PHE QD 1 132 LEU MD2 . . 3.860 2.865 2.471 3.493 . 0 0 "[ . 1 . 2]" 1 330 1 28 PHE QD 1 132 LEU HG . . 4.240 2.868 2.488 3.405 . 0 0 "[ . 1 . 2]" 1 331 1 28 PHE QD 1 135 ALA MB . . 4.210 3.997 3.626 4.316 0.106 17 0 "[ . 1 . 2]" 1 332 1 28 PHE QE 1 66 LEU MD2 . . 4.440 2.090 1.966 2.324 . 0 0 "[ . 1 . 2]" 1 333 1 28 PHE QE 1 66 LEU HG . . 4.930 3.020 1.978 3.293 . 0 0 "[ . 1 . 2]" 1 334 1 28 PHE QE 1 68 VAL HB . . 4.400 3.161 2.627 4.126 . 0 0 "[ . 1 . 2]" 1 335 1 28 PHE QE 1 68 VAL MG1 . . 4.070 3.931 3.702 4.150 0.080 7 0 "[ . 1 . 2]" 1 336 1 28 PHE QE 1 68 VAL MG2 . . 3.520 1.965 1.909 2.347 . 0 0 "[ . 1 . 2]" 1 337 1 28 PHE QE 1 132 LEU HA . . 4.080 3.028 2.740 3.682 . 0 0 "[ . 1 . 2]" 1 338 1 28 PHE QE 1 132 LEU MD1 . . 4.700 3.645 3.484 3.872 . 0 0 "[ . 1 . 2]" 1 339 1 28 PHE QE 1 135 ALA MB . . 3.110 2.324 1.945 2.652 . 0 0 "[ . 1 . 2]" 1 340 1 28 PHE HZ 1 66 LEU MD1 . . 4.340 4.250 4.013 4.461 0.121 7 0 "[ . 1 . 2]" 1 341 1 28 PHE HZ 1 68 VAL MG2 . . 4.560 1.886 1.761 1.988 . 0 0 "[ . 1 . 2]" 1 342 1 28 PHE HZ 1 132 LEU HA . . 4.810 3.178 2.931 3.553 . 0 0 "[ . 1 . 2]" 1 343 1 28 PHE HZ 1 135 ALA H . . 5.070 4.516 4.219 4.898 . 0 0 "[ . 1 . 2]" 1 344 1 28 PHE HZ 1 135 ALA MB . . 4.000 2.205 1.860 2.542 . 0 0 "[ . 1 . 2]" 1 345 1 29 PRO HA 1 30 VAL H . . 3.340 2.151 2.149 2.160 . 0 0 "[ . 1 . 2]" 1 346 1 29 PRO HA 1 30 VAL MG1 . . 3.940 3.317 3.238 3.375 . 0 0 "[ . 1 . 2]" 1 347 1 29 PRO HA 1 65 VAL HA . . 4.130 2.819 2.725 2.971 . 0 0 "[ . 1 . 2]" 1 348 1 29 PRO HA 1 65 VAL MG1 . . 3.790 3.580 3.308 3.845 0.055 15 0 "[ . 1 . 2]" 1 349 1 29 PRO HA 1 65 VAL MG2 . . 3.520 2.996 2.747 3.227 . 0 0 "[ . 1 . 2]" 1 350 1 29 PRO HA 1 66 LEU H . . 4.500 3.778 3.722 3.840 . 0 0 "[ . 1 . 2]" 1 351 1 29 PRO HA 1 125 VAL MG1 . . 4.670 4.749 4.638 4.801 0.131 3 0 "[ . 1 . 2]" 1 352 1 29 PRO HA 1 125 VAL MG2 . . 4.070 3.235 3.031 3.562 . 0 0 "[ . 1 . 2]" 1 353 1 29 PRO HB2 1 30 VAL H . . 4.150 3.887 3.856 3.974 . 0 0 "[ . 1 . 2]" 1 354 1 29 PRO HB2 1 125 VAL MG1 . . 3.670 2.548 2.504 2.587 . 0 0 "[ . 1 . 2]" 1 355 1 29 PRO HB2 1 125 VAL MG2 . . 3.310 2.346 1.972 2.597 . 0 0 "[ . 1 . 2]" 1 356 1 29 PRO HB3 1 30 VAL H . . 4.030 4.145 4.122 4.216 0.186 7 0 "[ . 1 . 2]" 1 357 1 29 PRO HB3 1 65 VAL HA . . 4.900 4.789 4.705 4.923 0.023 13 0 "[ . 1 . 2]" 1 358 1 29 PRO HB3 1 65 VAL MG1 . . 5.500 4.732 4.389 5.011 . 0 0 "[ . 1 . 2]" 1 359 1 29 PRO HB3 1 125 VAL HB . . 3.930 3.727 3.706 3.745 . 0 0 "[ . 1 . 2]" 1 360 1 29 PRO HB3 1 125 VAL MG1 . . 3.330 3.685 3.641 3.717 0.387 3 0 "[ . 1 . 2]" 1 361 1 29 PRO HB3 1 125 VAL MG2 . . 3.590 3.436 3.128 3.646 0.056 16 0 "[ . 1 . 2]" 1 362 1 29 PRO HB3 1 126 LYS H . . 5.470 5.331 5.206 5.383 . 0 0 "[ . 1 . 2]" 1 363 1 29 PRO QD 1 30 VAL H . . 5.330 4.899 4.852 4.914 . 0 0 "[ . 1 . 2]" 1 364 1 29 PRO QD 1 65 VAL MG1 . . 4.970 4.117 3.863 4.403 . 0 0 "[ . 1 . 2]" 1 365 1 29 PRO HG2 1 125 VAL H . . 5.050 4.281 4.064 4.488 . 0 0 "[ . 1 . 2]" 1 366 1 29 PRO HG2 1 125 VAL HB . . 4.000 2.929 2.633 3.135 . 0 0 "[ . 1 . 2]" 1 367 1 29 PRO HG2 1 125 VAL MG1 . . 3.860 3.365 3.203 3.526 . 0 0 "[ . 1 . 2]" 1 368 1 29 PRO HG2 1 126 LYS H . . 4.830 3.123 2.874 3.286 . 0 0 "[ . 1 . 2]" 1 369 1 29 PRO HG2 1 126 LYS QG . . 4.250 2.219 2.058 2.366 . 0 0 "[ . 1 . 2]" 1 370 1 29 PRO HG3 1 125 VAL MG1 . . 4.080 4.100 3.963 4.166 0.086 9 0 "[ . 1 . 2]" 1 371 1 29 PRO HG3 1 126 LYS QG . . 4.210 3.427 3.230 3.560 . 0 0 "[ . 1 . 2]" 1 372 1 30 VAL H 1 30 VAL MG2 . . 3.160 2.597 2.496 2.668 . 0 0 "[ . 1 . 2]" 1 373 1 30 VAL H 1 64 ALA H . . 4.400 3.965 3.870 4.071 . 0 0 "[ . 1 . 2]" 1 374 1 30 VAL H 1 64 ALA MB . . 4.940 4.843 4.770 4.885 . 0 0 "[ . 1 . 2]" 1 375 1 30 VAL H 1 65 VAL HA . . 3.990 2.760 2.564 2.860 . 0 0 "[ . 1 . 2]" 1 376 1 30 VAL H 1 65 VAL MG1 . . 5.070 4.394 4.189 4.561 . 0 0 "[ . 1 . 2]" 1 377 1 30 VAL H 1 66 LEU H . . 4.880 3.232 3.114 3.299 . 0 0 "[ . 1 . 2]" 1 378 1 30 VAL H 1 125 VAL HB . . 5.210 4.441 4.213 4.749 . 0 0 "[ . 1 . 2]" 1 379 1 30 VAL H 1 125 VAL MG2 . . 3.880 2.828 2.597 3.023 . 0 0 "[ . 1 . 2]" 1 380 1 30 VAL HA 1 30 VAL MG1 . . 3.390 2.566 2.515 2.624 . 0 0 "[ . 1 . 2]" 1 381 1 30 VAL HA 1 31 LYS H . . 3.620 2.582 2.323 2.709 . 0 0 "[ . 1 . 2]" 1 382 1 30 VAL HA 1 124 ALA H . . 5.500 4.647 4.558 5.008 . 0 0 "[ . 1 . 2]" 1 383 1 30 VAL HA 1 124 ALA HA . . 3.830 2.279 2.168 2.720 . 0 0 "[ . 1 . 2]" 1 384 1 30 VAL HA 1 124 ALA MB . . 4.200 3.854 3.712 4.294 0.094 18 0 "[ . 1 . 2]" 1 385 1 30 VAL HA 1 125 VAL H . . 4.090 2.427 1.936 2.879 . 0 0 "[ . 1 . 2]" 1 386 1 30 VAL HA 1 125 VAL HA . . 4.970 3.959 3.680 4.208 . 0 0 "[ . 1 . 2]" 1 387 1 30 VAL HA 1 125 VAL HB . . 4.470 3.491 3.261 3.804 . 0 0 "[ . 1 . 2]" 1 388 1 30 VAL HA 1 125 VAL MG1 . . 4.620 4.581 4.404 4.706 0.086 7 0 "[ . 1 . 2]" 1 389 1 30 VAL HA 1 125 VAL MG2 . . 3.260 2.100 1.962 2.319 . 0 0 "[ . 1 . 2]" 1 390 1 30 VAL HB 1 31 LYS H . . 3.680 2.496 2.314 2.961 . 0 0 "[ . 1 . 2]" 1 391 1 30 VAL HB 1 66 LEU H . . 5.090 5.018 4.978 5.065 . 0 0 "[ . 1 . 2]" 1 392 1 30 VAL HB 1 66 LEU HB2 . . 4.920 4.310 4.221 4.475 . 0 0 "[ . 1 . 2]" 1 393 1 30 VAL HB 1 66 LEU HB3 . . 4.820 4.030 3.910 4.110 . 0 0 "[ . 1 . 2]" 1 394 1 30 VAL HB 1 66 LEU MD2 . . 4.180 3.666 3.502 3.820 . 0 0 "[ . 1 . 2]" 1 395 1 30 VAL HB 1 122 PHE HA . . 4.890 4.850 4.586 4.966 0.076 5 0 "[ . 1 . 2]" 1 396 1 30 VAL HB 1 122 PHE HB2 . . 5.020 4.265 4.130 4.495 . 0 0 "[ . 1 . 2]" 1 397 1 30 VAL HB 1 122 PHE HB3 . . 4.680 3.042 2.875 3.168 . 0 0 "[ . 1 . 2]" 1 398 1 30 VAL HB 1 122 PHE QD . . 4.630 4.388 3.959 4.677 0.047 3 0 "[ . 1 . 2]" 1 399 1 30 VAL HB 1 123 MET H . . 4.780 4.407 4.054 4.656 . 0 0 "[ . 1 . 2]" 1 400 1 30 VAL HB 1 124 ALA HA . . 4.480 2.345 2.145 3.045 . 0 0 "[ . 1 . 2]" 1 401 1 30 VAL HB 1 125 VAL H . . 4.830 4.062 3.693 4.402 . 0 0 "[ . 1 . 2]" 1 402 1 30 VAL HB 1 132 LEU MD2 . . 3.920 2.779 2.387 3.007 . 0 0 "[ . 1 . 2]" 1 403 1 30 VAL MG1 1 31 LYS H . . 3.810 3.971 3.879 4.176 0.366 15 0 "[ . 1 . 2]" 1 404 1 30 VAL MG1 1 66 LEU H . . 3.740 2.659 2.452 2.863 . 0 0 "[ . 1 . 2]" 1 405 1 30 VAL MG1 1 66 LEU HB2 . . 3.770 3.178 3.017 3.439 . 0 0 "[ . 1 . 2]" 1 406 1 30 VAL MG1 1 66 LEU HB3 . . 3.750 2.123 1.996 2.250 . 0 0 "[ . 1 . 2]" 1 407 1 30 VAL MG1 1 66 LEU MD2 . . 3.220 2.373 2.017 2.555 . 0 0 "[ . 1 . 2]" 1 408 1 30 VAL MG1 1 122 PHE HB2 . . 4.570 4.661 4.632 4.678 0.108 7 0 "[ . 1 . 2]" 1 409 1 30 VAL MG1 1 124 ALA HA . . 3.400 2.566 2.377 2.894 . 0 0 "[ . 1 . 2]" 1 410 1 30 VAL MG1 1 124 ALA MB . . 3.720 3.083 2.914 3.704 . 0 0 "[ . 1 . 2]" 1 411 1 30 VAL MG1 1 125 VAL H . . 4.360 3.170 2.904 3.509 . 0 0 "[ . 1 . 2]" 1 412 1 30 VAL MG1 1 132 LEU MD1 . . 4.140 3.251 2.824 3.577 . 0 0 "[ . 1 . 2]" 1 413 1 30 VAL MG1 1 132 LEU MD2 . . 3.130 1.990 1.837 2.329 . 0 0 "[ . 1 . 2]" 1 414 1 30 VAL MG2 1 31 LYS H . . 3.520 2.664 2.353 3.244 . 0 0 "[ . 1 . 2]" 1 415 1 30 VAL MG2 1 31 LYS HA . . 3.630 3.403 3.235 3.701 0.071 15 0 "[ . 1 . 2]" 1 416 1 30 VAL MG2 1 32 TYR H . . 4.590 4.216 3.885 4.415 . 0 0 "[ . 1 . 2]" 1 417 1 30 VAL MG2 1 64 ALA H . . 4.290 4.140 4.023 4.275 . 0 0 "[ . 1 . 2]" 1 418 1 30 VAL MG2 1 65 VAL HA . . 3.530 3.440 3.274 3.584 0.054 13 0 "[ . 1 . 2]" 1 419 1 30 VAL MG2 1 66 LEU H . . 3.730 2.445 2.328 2.580 . 0 0 "[ . 1 . 2]" 1 420 1 30 VAL MG2 1 66 LEU HA . . 4.000 3.448 3.403 3.500 . 0 0 "[ . 1 . 2]" 1 421 1 30 VAL MG2 1 66 LEU HB2 . . 3.650 1.838 1.794 1.914 . 0 0 "[ . 1 . 2]" 1 422 1 30 VAL MG2 1 66 LEU MD1 . . 3.440 3.527 3.431 3.572 0.132 4 0 "[ . 1 . 2]" 1 423 1 30 VAL MG2 1 66 LEU MD2 . . 4.010 2.247 1.943 2.375 . 0 0 "[ . 1 . 2]" 1 424 1 30 VAL MG2 1 66 LEU HG . . 4.130 3.827 3.610 3.960 . 0 0 "[ . 1 . 2]" 1 425 1 30 VAL MG2 1 122 PHE H . . 5.340 5.745 5.598 5.884 0.544 14 2 "[ . 1 +. -]" 1 426 1 30 VAL MG2 1 122 PHE HA . . 4.960 4.070 3.865 4.249 . 0 0 "[ . 1 . 2]" 1 427 1 30 VAL MG2 1 122 PHE HB3 . . 4.080 2.519 2.373 2.653 . 0 0 "[ . 1 . 2]" 1 428 1 30 VAL MG2 1 122 PHE QD . . 3.110 2.548 2.190 2.998 . 0 0 "[ . 1 . 2]" 1 429 1 30 VAL MG2 1 123 MET H . . 4.600 4.261 4.030 4.497 . 0 0 "[ . 1 . 2]" 1 430 1 31 LYS H 1 31 LYS HB2 . . 4.090 2.505 2.402 2.600 . 0 0 "[ . 1 . 2]" 1 431 1 31 LYS H 1 31 LYS HB3 . . 4.160 3.654 3.592 3.704 . 0 0 "[ . 1 . 2]" 1 432 1 31 LYS H 1 31 LYS HD2 . . 4.750 4.603 3.922 4.839 0.089 5 0 "[ . 1 . 2]" 1 433 1 31 LYS H 1 31 LYS HD3 . . 4.630 3.595 2.840 4.913 0.283 15 0 "[ . 1 . 2]" 1 434 1 31 LYS H 1 31 LYS QE . . 4.930 4.577 4.244 4.719 . 0 0 "[ . 1 . 2]" 1 435 1 31 LYS H 1 31 LYS HG3 . . 4.320 3.456 2.652 3.718 . 0 0 "[ . 1 . 2]" 1 436 1 31 LYS H 1 32 TYR H . . 5.500 4.453 4.320 4.551 . 0 0 "[ . 1 . 2]" 1 437 1 31 LYS H 1 61 ALA MB . . 4.930 4.655 4.377 4.859 . 0 0 "[ . 1 . 2]" 1 438 1 31 LYS H 1 123 MET H . . 4.260 2.998 2.721 3.420 . 0 0 "[ . 1 . 2]" 1 439 1 31 LYS H 1 123 MET HA . . 5.500 4.406 4.215 4.668 . 0 0 "[ . 1 . 2]" 1 440 1 31 LYS H 1 123 MET HB2 . . 4.940 3.900 3.447 4.066 . 0 0 "[ . 1 . 2]" 1 441 1 31 LYS H 1 123 MET HB3 . . 4.640 4.031 3.675 4.264 . 0 0 "[ . 1 . 2]" 1 442 1 31 LYS H 1 124 ALA HA . . 4.670 3.369 3.243 4.039 . 0 0 "[ . 1 . 2]" 1 443 1 31 LYS H 1 125 VAL H . . 5.050 4.585 4.134 4.940 . 0 0 "[ . 1 . 2]" 1 444 1 31 LYS H 1 125 VAL MG2 . . 3.670 3.392 2.932 3.686 0.016 2 0 "[ . 1 . 2]" 1 445 1 31 LYS HA 1 31 LYS HD2 . . 4.470 4.461 4.113 4.590 0.120 13 0 "[ . 1 . 2]" 1 446 1 31 LYS HA 1 31 LYS HD3 . . 4.500 4.093 3.726 4.478 . 0 0 "[ . 1 . 2]" 1 447 1 31 LYS HA 1 31 LYS HG2 . . 3.960 2.980 2.576 3.254 . 0 0 "[ . 1 . 2]" 1 448 1 31 LYS HA 1 31 LYS HG3 . . 3.810 2.283 2.101 2.823 . 0 0 "[ . 1 . 2]" 1 449 1 31 LYS HA 1 32 TYR H . . 3.490 2.263 2.202 2.310 . 0 0 "[ . 1 . 2]" 1 450 1 31 LYS HA 1 61 ALA MB . . 3.940 3.835 3.707 3.965 0.025 15 0 "[ . 1 . 2]" 1 451 1 31 LYS HA 1 62 VAL H . . 5.070 4.031 3.603 4.465 . 0 0 "[ . 1 . 2]" 1 452 1 31 LYS HA 1 62 VAL QG . . 4.700 4.439 4.332 4.580 . 0 0 "[ . 1 . 2]" 1 453 1 31 LYS HA 1 63 LYS H . . 5.500 5.156 5.005 5.218 . 0 0 "[ . 1 . 2]" 1 454 1 31 LYS HA 1 63 LYS HA . . 4.380 3.215 2.892 3.391 . 0 0 "[ . 1 . 2]" 1 455 1 31 LYS HA 1 64 ALA H . . 4.290 2.955 2.806 3.056 . 0 0 "[ . 1 . 2]" 1 456 1 31 LYS HA 1 64 ALA MB . . 4.170 4.133 4.000 4.218 0.048 14 0 "[ . 1 . 2]" 1 457 1 31 LYS HB2 1 32 TYR H . . 4.720 4.224 4.127 4.386 . 0 0 "[ . 1 . 2]" 1 458 1 31 LYS HB2 1 61 ALA MB . . 3.320 2.872 2.512 3.086 . 0 0 "[ . 1 . 2]" 1 459 1 31 LYS HB2 1 62 VAL H . . 5.270 5.121 4.775 5.298 0.028 16 0 "[ . 1 . 2]" 1 460 1 31 LYS HB2 1 63 LYS HE3 . . 4.880 5.335 4.967 5.547 0.667 15 7 "[ . ** * - + **]" 1 461 1 31 LYS HB2 1 123 MET H . . 4.520 3.096 2.873 3.522 . 0 0 "[ . 1 . 2]" 1 462 1 31 LYS HB3 1 32 TYR H . . 4.340 3.090 2.925 3.354 . 0 0 "[ . 1 . 2]" 1 463 1 31 LYS HB3 1 33 LEU QD . . 4.550 3.690 3.365 4.013 . 0 0 "[ . 1 . 2]" 1 464 1 31 LYS HB3 1 61 ALA HA . . 4.810 3.831 3.486 4.164 . 0 0 "[ . 1 . 2]" 1 465 1 31 LYS HB3 1 61 ALA MB . . 2.970 1.832 1.765 1.979 . 0 0 "[ . 1 . 2]" 1 466 1 31 LYS HB3 1 62 VAL H . . 4.820 3.457 3.109 3.654 . 0 0 "[ . 1 . 2]" 1 467 1 31 LYS HB3 1 123 MET H . . 4.910 3.914 3.648 4.578 . 0 0 "[ . 1 . 2]" 1 468 1 31 LYS HB3 1 125 VAL MG2 . . 4.710 4.688 4.574 4.790 0.080 6 0 "[ . 1 . 2]" 1 469 1 31 LYS HD2 1 63 LYS HA . . 4.530 4.701 4.396 5.469 0.939 15 3 "[ . - 1 * + 2]" 1 470 1 31 LYS HD2 1 125 VAL MG2 . . 4.410 2.362 1.872 3.734 . 0 0 "[ . 1 . 2]" 1 471 1 31 LYS HD3 1 125 VAL MG2 . . 3.690 2.604 2.023 4.408 0.718 15 3 "[ . * 1 - + 2]" 1 472 1 31 LYS HG2 1 32 TYR H . . 4.760 4.290 4.073 4.527 . 0 0 "[ . 1 . 2]" 1 473 1 31 LYS HG2 1 63 LYS HE3 . . 3.200 3.191 2.564 3.339 0.139 8 0 "[ . 1 . 2]" 1 474 1 31 LYS HG3 1 32 TYR H . . 4.710 4.292 3.956 4.910 0.200 15 0 "[ . 1 . 2]" 1 475 1 31 LYS HG3 1 63 LYS HA . . 4.310 2.930 2.631 3.631 . 0 0 "[ . 1 . 2]" 1 476 1 31 LYS HG3 1 63 LYS HE2 . . 3.970 3.309 2.360 3.943 . 0 0 "[ . 1 . 2]" 1 477 1 31 LYS HG3 1 63 LYS HE3 . . 3.270 2.934 2.605 3.203 . 0 0 "[ . 1 . 2]" 1 478 1 32 TYR H 1 32 TYR QD . . 4.520 4.115 4.082 4.140 . 0 0 "[ . 1 . 2]" 1 479 1 32 TYR H 1 33 LEU H . . 5.500 4.342 4.251 4.484 . 0 0 "[ . 1 . 2]" 1 480 1 32 TYR H 1 33 LEU QD . . 5.240 4.940 4.607 5.033 . 0 0 "[ . 1 . 2]" 1 481 1 32 TYR H 1 61 ALA HA . . 5.000 4.138 3.819 4.450 . 0 0 "[ . 1 . 2]" 1 482 1 32 TYR H 1 61 ALA MB . . 4.010 3.536 3.235 3.787 . 0 0 "[ . 1 . 2]" 1 483 1 32 TYR H 1 62 VAL H . . 4.200 2.399 2.046 2.949 . 0 0 "[ . 1 . 2]" 1 484 1 32 TYR H 1 62 VAL HB . . 4.300 3.109 2.979 3.318 . 0 0 "[ . 1 . 2]" 1 485 1 32 TYR H 1 62 VAL QG . . 4.170 3.596 3.538 3.690 . 0 0 "[ . 1 . 2]" 1 486 1 32 TYR H 1 63 LYS HA . . 4.710 4.384 4.081 4.548 . 0 0 "[ . 1 . 2]" 1 487 1 32 TYR H 1 64 ALA H . . 4.720 4.028 3.783 4.213 . 0 0 "[ . 1 . 2]" 1 488 1 32 TYR H 1 64 ALA MB . . 4.160 3.831 3.498 4.044 . 0 0 "[ . 1 . 2]" 1 489 1 32 TYR H 1 122 PHE QD . . 5.490 5.068 4.582 5.308 . 0 0 "[ . 1 . 2]" 1 490 1 32 TYR HA 1 122 PHE HA . . 4.120 3.072 2.889 3.373 . 0 0 "[ . 1 . 2]" 1 491 1 32 TYR HA 1 123 MET H . . 5.120 4.034 3.873 4.334 . 0 0 "[ . 1 . 2]" 1 492 1 32 TYR QB 1 33 LEU H . . 4.880 4.015 3.950 4.047 . 0 0 "[ . 1 . 2]" 1 493 1 32 TYR QB 1 62 VAL H . . 4.750 2.660 2.530 2.767 . 0 0 "[ . 1 . 2]" 1 494 1 32 TYR QB 1 62 VAL HB . . 3.680 2.100 1.977 2.251 . 0 0 "[ . 1 . 2]" 1 495 1 32 TYR QB 1 62 VAL QG . . 3.950 2.970 2.874 3.050 . 0 0 "[ . 1 . 2]" 1 496 1 32 TYR QB 1 64 ALA MB . . 3.860 3.145 2.899 3.291 . 0 0 "[ . 1 . 2]" 1 497 1 32 TYR QB 1 75 VAL MG1 . . 4.040 2.725 2.543 2.879 . 0 0 "[ . 1 . 2]" 1 498 1 32 TYR QB 1 75 VAL MG2 . . 4.790 4.106 3.897 4.336 . 0 0 "[ . 1 . 2]" 1 499 1 32 TYR QB 1 84 ILE MG . . 4.360 3.962 3.818 4.083 . 0 0 "[ . 1 . 2]" 1 500 1 32 TYR QB 1 122 PHE QD . . 4.740 4.107 3.601 4.509 . 0 0 "[ . 1 . 2]" 1 501 1 32 TYR QD 1 33 LEU H . . 4.090 2.800 2.537 2.945 . 0 0 "[ . 1 . 2]" 1 502 1 32 TYR QD 1 34 GLY H . . 4.340 2.890 2.461 3.184 . 0 0 "[ . 1 . 2]" 1 503 1 32 TYR QD 1 62 VAL H . . 5.190 4.477 4.353 4.619 . 0 0 "[ . 1 . 2]" 1 504 1 32 TYR QD 1 62 VAL HB . . 3.980 3.222 3.119 3.353 . 0 0 "[ . 1 . 2]" 1 505 1 32 TYR QD 1 62 VAL QG . . 3.550 3.250 3.030 3.353 . 0 0 "[ . 1 . 2]" 1 506 1 32 TYR QD 1 64 ALA MB . . 4.550 4.490 4.224 4.587 0.037 16 0 "[ . 1 . 2]" 1 507 1 32 TYR QD 1 75 VAL MG1 . . 4.140 3.307 3.117 3.484 . 0 0 "[ . 1 . 2]" 1 508 1 32 TYR QD 1 84 ILE MD . . 3.690 3.582 3.213 3.752 0.062 15 0 "[ . 1 . 2]" 1 509 1 32 TYR QD 1 84 ILE MG . . 3.520 2.798 2.625 3.003 . 0 0 "[ . 1 . 2]" 1 510 1 32 TYR QD 1 121 CYS H . . 5.050 4.604 4.173 4.786 . 0 0 "[ . 1 . 2]" 1 511 1 32 TYR QD 1 122 PHE HA . . 4.570 4.044 3.874 4.300 . 0 0 "[ . 1 . 2]" 1 512 1 32 TYR QD 1 122 PHE QD . . 3.810 3.546 2.892 3.827 0.017 7 0 "[ . 1 . 2]" 1 513 1 32 TYR QE 1 33 LEU H . . 4.670 4.611 4.286 4.711 0.041 9 0 "[ . 1 . 2]" 1 514 1 32 TYR QE 1 34 GLY H . . 4.010 3.166 2.760 3.437 . 0 0 "[ . 1 . 2]" 1 515 1 32 TYR QE 1 34 GLY HA2 . . 4.430 3.013 2.809 3.271 . 0 0 "[ . 1 . 2]" 1 516 1 32 TYR QE 1 34 GLY HA3 . . 4.470 4.389 4.139 4.547 0.077 20 0 "[ . 1 . 2]" 1 517 1 32 TYR QE 1 35 HIS H . . 5.220 4.726 4.154 4.952 . 0 0 "[ . 1 . 2]" 1 518 1 32 TYR QE 1 35 HIS HA . . 5.100 4.639 4.199 5.135 0.035 9 0 "[ . 1 . 2]" 1 519 1 32 TYR QE 1 62 VAL QG . . 4.390 4.711 4.506 4.833 0.443 10 0 "[ . 1 . 2]" 1 520 1 32 TYR QE 1 84 ILE MG . . 3.400 2.951 2.502 3.245 . 0 0 "[ . 1 . 2]" 1 521 1 32 TYR QE 1 85 VAL MG2 . . 3.730 2.923 2.659 3.132 . 0 0 "[ . 1 . 2]" 1 522 1 32 TYR QE 1 121 CYS H . . 4.360 4.148 3.720 4.293 . 0 0 "[ . 1 . 2]" 1 523 1 32 TYR QE 1 122 PHE HZ . . 4.130 4.112 3.828 4.153 0.023 8 0 "[ . 1 . 2]" 1 524 1 33 LEU H 1 33 LEU HB3 . . 4.150 3.544 3.526 3.573 . 0 0 "[ . 1 . 2]" 1 525 1 33 LEU H 1 33 LEU QD . . 3.610 3.163 3.063 3.258 . 0 0 "[ . 1 . 2]" 1 526 1 33 LEU H 1 33 LEU HG . . 3.660 2.441 2.267 2.640 . 0 0 "[ . 1 . 2]" 1 527 1 33 LEU H 1 34 GLY H . . 4.030 2.509 2.391 2.628 . 0 0 "[ . 1 . 2]" 1 528 1 33 LEU H 1 34 GLY HA2 . . 5.000 4.747 4.650 4.842 . 0 0 "[ . 1 . 2]" 1 529 1 33 LEU H 1 121 CYS H . . 5.230 4.419 4.158 4.607 . 0 0 "[ . 1 . 2]" 1 530 1 33 LEU H 1 122 PHE HA . . 3.870 2.676 2.486 3.008 . 0 0 "[ . 1 . 2]" 1 531 1 33 LEU H 1 122 PHE QD . . 5.220 4.345 3.677 4.622 . 0 0 "[ . 1 . 2]" 1 532 1 33 LEU H 1 123 MET H . . 4.900 3.619 3.490 3.932 . 0 0 "[ . 1 . 2]" 1 533 1 33 LEU HA 1 33 LEU QD . . 2.860 2.200 1.973 2.383 . 0 0 "[ . 1 . 2]" 1 534 1 33 LEU HA 1 33 LEU HG . . 3.870 2.970 2.920 3.144 . 0 0 "[ . 1 . 2]" 1 535 1 33 LEU HA 1 61 ALA H . . 5.160 4.964 4.470 5.081 . 0 0 "[ . 1 . 2]" 1 536 1 33 LEU HA 1 61 ALA HA . . 3.830 2.740 2.311 2.903 . 0 0 "[ . 1 . 2]" 1 537 1 33 LEU HA 1 61 ALA MB . . 3.140 2.971 2.730 3.226 0.086 16 0 "[ . 1 . 2]" 1 538 1 33 LEU HA 1 62 VAL H . . 4.660 4.282 4.037 4.436 . 0 0 "[ . 1 . 2]" 1 539 1 33 LEU HB2 1 54 LEU MD1 . . 4.350 2.416 2.140 2.795 . 0 0 "[ . 1 . 2]" 1 540 1 33 LEU HB2 1 121 CYS HB2 . . 4.620 2.127 1.984 3.619 . 0 0 "[ . 1 . 2]" 1 541 1 33 LEU HB2 1 121 CYS HB3 . . 4.560 3.420 1.970 3.745 . 0 0 "[ . 1 . 2]" 1 542 1 33 LEU HB3 1 33 LEU HG . . 2.920 3.027 3.019 3.031 0.111 9 0 "[ . 1 . 2]" 1 543 1 33 LEU HB3 1 34 GLY H . . 4.750 3.627 3.429 3.861 . 0 0 "[ . 1 . 2]" 1 544 1 33 LEU HB3 1 54 LEU MD1 . . 4.230 2.133 1.848 2.542 . 0 0 "[ . 1 . 2]" 1 545 1 33 LEU HB3 1 121 CYS H . . 5.500 5.030 4.741 5.363 . 0 0 "[ . 1 . 2]" 1 546 1 33 LEU HB3 1 121 CYS HB2 . . 4.700 3.207 2.819 4.695 . 0 0 "[ . 1 . 2]" 1 547 1 33 LEU HB3 1 121 CYS HB3 . . 4.470 4.402 3.255 4.717 0.247 20 0 "[ . 1 . 2]" 1 548 1 33 LEU QD 1 34 GLY H . . 4.620 4.086 3.912 4.222 . 0 0 "[ . 1 . 2]" 1 549 1 33 LEU QD 1 51 VAL HA . . 3.920 2.970 2.696 3.099 . 0 0 "[ . 1 . 2]" 1 550 1 33 LEU QD 1 54 LEU HB2 . . 3.850 3.218 3.026 3.347 . 0 0 "[ . 1 . 2]" 1 551 1 33 LEU QD 1 54 LEU MD1 . . 3.910 2.674 2.537 2.833 . 0 0 "[ . 1 . 2]" 1 552 1 33 LEU QD 1 61 ALA H . . 5.000 4.020 3.384 4.352 . 0 0 "[ . 1 . 2]" 1 553 1 33 LEU QD 1 61 ALA HA . . 3.970 3.188 2.687 3.535 . 0 0 "[ . 1 . 2]" 1 554 1 33 LEU QD 1 61 ALA MB . . 2.930 1.947 1.733 2.123 . 0 0 "[ . 1 . 2]" 1 555 1 33 LEU QD 1 62 VAL H . . 4.900 4.601 4.316 4.746 . 0 0 "[ . 1 . 2]" 1 556 1 33 LEU QD 1 104 ALA HA . . 4.700 3.685 3.506 4.251 . 0 0 "[ . 1 . 2]" 1 557 1 33 LEU QD 1 104 ALA MB . . 3.620 3.254 3.002 3.635 0.015 18 0 "[ . 1 . 2]" 1 558 1 33 LEU QD 1 105 PHE H . . 5.130 4.218 3.836 4.555 . 0 0 "[ . 1 . 2]" 1 559 1 33 LEU QD 1 121 CYS H . . 4.630 4.259 4.059 4.494 . 0 0 "[ . 1 . 2]" 1 560 1 33 LEU QD 1 121 CYS HB2 . . 3.370 2.162 1.945 3.161 . 0 0 "[ . 1 . 2]" 1 561 1 33 LEU QD 1 121 CYS HB3 . . 3.400 2.146 1.957 2.405 . 0 0 "[ . 1 . 2]" 1 562 1 33 LEU QD 1 122 PHE H . . 4.450 3.003 2.734 3.483 . 0 0 "[ . 1 . 2]" 1 563 1 33 LEU QD 1 122 PHE HA . . 4.110 3.235 2.966 3.676 . 0 0 "[ . 1 . 2]" 1 564 1 33 LEU QD 1 123 MET H . . 4.180 2.988 2.664 3.213 . 0 0 "[ . 1 . 2]" 1 565 1 33 LEU QD 1 123 MET HA . . 4.220 3.328 3.232 3.450 . 0 0 "[ . 1 . 2]" 1 566 1 33 LEU QD 1 123 MET HB2 . . 3.800 2.444 2.136 2.654 . 0 0 "[ . 1 . 2]" 1 567 1 33 LEU QD 1 123 MET HB3 . . 3.280 3.484 3.280 3.574 0.294 18 0 "[ . 1 . 2]" 1 568 1 33 LEU QD 1 123 MET ME . . 3.160 3.174 2.990 3.411 0.251 18 0 "[ . 1 . 2]" 1 569 1 33 LEU QD 1 123 MET HG2 . . 3.340 2.064 1.720 2.390 . 0 0 "[ . 1 . 2]" 1 570 1 33 LEU QD 1 123 MET HG3 . . 3.190 1.950 1.819 2.347 . 0 0 "[ . 1 . 2]" 1 571 1 33 LEU HG 1 121 CYS HB2 . . 4.880 3.973 3.749 5.158 0.278 3 0 "[ . 1 . 2]" 1 572 1 33 LEU HG 1 122 PHE HA . . 3.910 2.950 2.842 3.032 . 0 0 "[ . 1 . 2]" 1 573 1 33 LEU HG 1 123 MET H . . 4.250 2.497 2.338 2.666 . 0 0 "[ . 1 . 2]" 1 574 1 33 LEU HG 1 123 MET HB2 . . 3.890 2.752 2.616 3.227 . 0 0 "[ . 1 . 2]" 1 575 1 33 LEU HG 1 123 MET HG2 . . 4.250 3.720 3.105 4.030 . 0 0 "[ . 1 . 2]" 1 576 1 33 LEU HG 1 123 MET HG3 . . 4.160 3.599 3.187 4.311 0.151 18 0 "[ . 1 . 2]" 1 577 1 34 GLY H 1 35 HIS H . . 4.550 4.405 4.339 4.455 . 0 0 "[ . 1 . 2]" 1 578 1 34 GLY H 1 54 LEU MD2 . . 4.730 4.248 3.773 4.555 . 0 0 "[ . 1 . 2]" 1 579 1 34 GLY H 1 121 CYS H . . 4.770 3.259 3.011 3.606 . 0 0 "[ . 1 . 2]" 1 580 1 34 GLY HA2 1 35 HIS H . . 3.360 2.945 2.678 3.077 . 0 0 "[ . 1 . 2]" 1 581 1 34 GLY HA2 1 35 HIS HD2 . . 5.030 4.997 4.586 5.143 0.113 20 0 "[ . 1 . 2]" 1 582 1 34 GLY HA2 1 54 LEU MD1 . . 4.450 4.285 3.855 4.547 0.097 20 0 "[ . 1 . 2]" 1 583 1 34 GLY HA2 1 54 LEU MD2 . . 4.280 4.202 3.572 4.361 0.081 14 0 "[ . 1 . 2]" 1 584 1 34 GLY HA3 1 35 HIS H . . 3.460 2.350 2.267 2.561 . 0 0 "[ . 1 . 2]" 1 585 1 34 GLY HA3 1 35 HIS HD2 . . 4.720 4.604 4.214 4.778 0.058 20 0 "[ . 1 . 2]" 1 586 1 34 GLY HA3 1 54 LEU MD2 . . 3.870 2.793 2.219 2.971 . 0 0 "[ . 1 . 2]" 1 587 1 35 HIS H 1 35 HIS HD2 . . 4.650 2.479 2.175 2.731 . 0 0 "[ . 1 . 2]" 1 588 1 35 HIS H 1 36 VAL H . . 4.720 4.349 4.133 4.474 . 0 0 "[ . 1 . 2]" 1 589 1 35 HIS H 1 36 VAL MG1 . . 4.590 3.637 3.355 3.939 . 0 0 "[ . 1 . 2]" 1 590 1 35 HIS H 1 54 LEU MD1 . . 4.400 3.984 3.462 4.303 . 0 0 "[ . 1 . 2]" 1 591 1 35 HIS H 1 54 LEU MD2 . . 3.700 2.949 2.450 3.459 . 0 0 "[ . 1 . 2]" 1 592 1 35 HIS H 1 118 ILE MG . . 5.040 4.805 4.713 4.891 . 0 0 "[ . 1 . 2]" 1 593 1 35 HIS H 1 120 HIS HA . . 5.260 5.026 4.825 5.180 . 0 0 "[ . 1 . 2]" 1 594 1 35 HIS HA 1 35 HIS HD2 . . 4.960 4.200 4.090 4.285 . 0 0 "[ . 1 . 2]" 1 595 1 35 HIS HA 1 36 VAL H . . 3.420 2.267 2.192 2.392 . 0 0 "[ . 1 . 2]" 1 596 1 35 HIS HA 1 36 VAL MG1 . . 4.230 3.452 3.221 3.611 . 0 0 "[ . 1 . 2]" 1 597 1 35 HIS HA 1 36 VAL MG2 . . 4.240 3.830 3.686 4.046 . 0 0 "[ . 1 . 2]" 1 598 1 35 HIS HA 1 54 LEU MD1 . . 4.190 3.662 3.192 3.945 . 0 0 "[ . 1 . 2]" 1 599 1 35 HIS HA 1 54 LEU MD2 . . 4.620 3.785 3.422 4.190 . 0 0 "[ . 1 . 2]" 1 600 1 35 HIS HA 1 118 ILE MG . . 4.120 3.365 3.141 3.560 . 0 0 "[ . 1 . 2]" 1 601 1 35 HIS HA 1 120 HIS HA . . 3.920 2.446 2.238 2.623 . 0 0 "[ . 1 . 2]" 1 602 1 35 HIS HA 1 121 CYS H . . 4.560 3.614 3.334 3.814 . 0 0 "[ . 1 . 2]" 1 603 1 35 HIS HB2 1 36 VAL H . . 4.270 3.116 2.709 3.498 . 0 0 "[ . 1 . 2]" 1 604 1 35 HIS HB2 1 118 ILE MG . . 3.520 1.826 1.768 1.901 . 0 0 "[ . 1 . 2]" 1 605 1 35 HIS HB2 1 120 HIS HD2 . . 4.910 4.522 3.644 5.533 0.623 5 1 "[ + 1 . 2]" 1 606 1 35 HIS HB2 1 120 HIS HE1 . . 4.580 4.176 3.766 4.640 0.060 6 0 "[ . 1 . 2]" 1 607 1 35 HIS HB3 1 36 VAL H . . 3.960 3.893 3.666 4.099 0.139 16 0 "[ . 1 . 2]" 1 608 1 35 HIS HB3 1 118 ILE MG . . 3.290 2.719 2.548 2.885 . 0 0 "[ . 1 . 2]" 1 609 1 35 HIS HB3 1 120 HIS HE1 . . 4.650 2.929 2.537 3.387 . 0 0 "[ . 1 . 2]" 1 610 1 35 HIS HD2 1 36 VAL H . . 4.860 4.846 4.608 5.003 0.143 20 0 "[ . 1 . 2]" 1 611 1 35 HIS HD2 1 36 VAL HA . . 4.860 4.243 4.021 4.416 . 0 0 "[ . 1 . 2]" 1 612 1 35 HIS HD2 1 118 ILE MD . . 4.330 4.347 4.271 4.508 0.178 20 0 "[ . 1 . 2]" 1 613 1 36 VAL H 1 36 VAL MG1 . . 3.350 2.852 2.581 2.995 . 0 0 "[ . 1 . 2]" 1 614 1 36 VAL H 1 36 VAL MG2 . . 3.210 2.270 2.001 2.446 . 0 0 "[ . 1 . 2]" 1 615 1 36 VAL H 1 50 ALA MB . . 5.180 4.209 3.938 4.486 . 0 0 "[ . 1 . 2]" 1 616 1 36 VAL H 1 54 LEU MD1 . . 4.110 4.105 3.843 4.197 0.087 13 0 "[ . 1 . 2]" 1 617 1 36 VAL H 1 54 LEU MD2 . . 4.130 4.114 3.886 4.227 0.097 18 0 "[ . 1 . 2]" 1 618 1 36 VAL H 1 118 ILE MG . . 3.730 2.898 2.601 3.210 . 0 0 "[ . 1 . 2]" 1 619 1 36 VAL H 1 119 CYS H . . 4.240 2.684 2.375 3.078 . 0 0 "[ . 1 . 2]" 1 620 1 36 VAL H 1 119 CYS HB2 . . 4.840 4.582 3.794 4.788 . 0 0 "[ . 1 . 2]" 1 621 1 36 VAL H 1 119 CYS HB3 . . 4.950 3.286 2.927 3.444 . 0 0 "[ . 1 . 2]" 1 622 1 36 VAL H 1 120 HIS HA . . 4.730 3.730 3.424 4.061 . 0 0 "[ . 1 . 2]" 1 623 1 36 VAL HA 1 36 VAL MG1 . . 3.160 2.373 2.291 2.484 . 0 0 "[ . 1 . 2]" 1 624 1 36 VAL HA 1 36 VAL MG2 . . 3.530 3.208 3.194 3.218 . 0 0 "[ . 1 . 2]" 1 625 1 36 VAL HA 1 37 GLU H . . 3.190 2.429 2.234 2.606 . 0 0 "[ . 1 . 2]" 1 626 1 36 VAL HA 1 37 GLU QB . . 4.080 4.070 3.985 4.183 0.103 1 0 "[ . 1 . 2]" 1 627 1 36 VAL HA 1 54 LEU MD2 . . 4.880 3.808 3.615 4.077 . 0 0 "[ . 1 . 2]" 1 628 1 36 VAL HA 1 118 ILE MD . . 4.790 3.877 3.570 4.209 . 0 0 "[ . 1 . 2]" 1 629 1 36 VAL HA 1 118 ILE MG . . 4.910 4.109 3.766 4.436 . 0 0 "[ . 1 . 2]" 1 630 1 36 VAL HB 1 37 GLU H . . 3.350 2.631 2.368 3.172 . 0 0 "[ . 1 . 2]" 1 631 1 36 VAL HB 1 50 ALA MB . . 4.300 4.272 4.070 4.610 0.310 3 0 "[ . 1 . 2]" 1 632 1 36 VAL HB 1 54 LEU MD1 . . 4.540 4.815 4.593 5.081 0.541 16 1 "[ . 1 .+ 2]" 1 633 1 36 VAL HB 1 54 LEU MD2 . . 3.800 3.889 3.831 4.077 0.277 18 0 "[ . 1 . 2]" 1 634 1 36 VAL HB 1 119 CYS H . . 5.230 5.158 5.122 5.194 . 0 0 "[ . 1 . 2]" 1 635 1 36 VAL MG1 1 50 ALA HA . . 3.760 3.685 3.465 3.846 0.086 16 0 "[ . 1 . 2]" 1 636 1 36 VAL MG1 1 53 ARG H . . 5.180 4.605 4.295 4.833 . 0 0 "[ . 1 . 2]" 1 637 1 36 VAL MG1 1 53 ARG HB2 . . 4.080 3.457 3.178 3.738 . 0 0 "[ . 1 . 2]" 1 638 1 36 VAL MG1 1 53 ARG HB3 . . 3.680 2.192 1.960 2.472 . 0 0 "[ . 1 . 2]" 1 639 1 36 VAL MG1 1 53 ARG QD . . 4.000 2.872 2.501 3.240 . 0 0 "[ . 1 . 2]" 1 640 1 36 VAL MG1 1 53 ARG HG2 . . 4.480 3.654 3.058 4.153 . 0 0 "[ . 1 . 2]" 1 641 1 36 VAL MG1 1 54 LEU H . . 3.990 3.193 2.952 3.497 . 0 0 "[ . 1 . 2]" 1 642 1 36 VAL MG1 1 54 LEU HA . . 4.100 3.591 3.465 3.738 . 0 0 "[ . 1 . 2]" 1 643 1 36 VAL MG1 1 54 LEU HB2 . . 4.040 4.016 3.910 4.153 0.113 7 0 "[ . 1 . 2]" 1 644 1 36 VAL MG1 1 54 LEU HB3 . . 4.940 4.051 3.954 4.168 . 0 0 "[ . 1 . 2]" 1 645 1 36 VAL MG1 1 54 LEU MD1 . . 2.990 2.213 1.953 2.543 . 0 0 "[ . 1 . 2]" 1 646 1 36 VAL MG1 1 119 CYS HB3 . . 4.430 4.403 4.007 4.535 0.105 2 0 "[ . 1 . 2]" 1 647 1 36 VAL MG2 1 37 GLU H . . 3.770 3.390 2.777 3.731 . 0 0 "[ . 1 . 2]" 1 648 1 36 VAL MG2 1 50 ALA H . . 4.490 4.266 4.066 4.487 . 0 0 "[ . 1 . 2]" 1 649 1 36 VAL MG2 1 50 ALA HA . . 3.380 2.192 1.946 2.581 . 0 0 "[ . 1 . 2]" 1 650 1 36 VAL MG2 1 51 VAL H . . 5.040 4.594 4.228 4.798 . 0 0 "[ . 1 . 2]" 1 651 1 36 VAL MG2 1 53 ARG HB3 . . 3.860 3.275 2.784 3.525 . 0 0 "[ . 1 . 2]" 1 652 1 36 VAL MG2 1 53 ARG QD . . 3.710 2.566 2.199 2.989 . 0 0 "[ . 1 . 2]" 1 653 1 36 VAL MG2 1 54 LEU H . . 4.360 4.394 4.067 4.472 0.112 18 0 "[ . 1 . 2]" 1 654 1 36 VAL MG2 1 54 LEU MD1 . . 3.500 3.206 2.936 3.449 . 0 0 "[ . 1 . 2]" 1 655 1 36 VAL MG2 1 54 LEU MD2 . . 3.730 3.697 3.515 3.938 0.208 20 0 "[ . 1 . 2]" 1 656 1 36 VAL MG2 1 119 CYS H . . 3.890 3.109 2.934 3.486 . 0 0 "[ . 1 . 2]" 1 657 1 36 VAL MG2 1 119 CYS HB2 . . 3.680 3.286 2.515 3.603 . 0 0 "[ . 1 . 2]" 1 658 1 36 VAL MG2 1 119 CYS HB3 . . 3.410 2.069 1.891 2.217 . 0 0 "[ . 1 . 2]" 1 659 1 36 VAL MG2 1 119 CYS HG . . 4.110 3.326 2.535 4.076 . 0 0 "[ . 1 . 2]" 1 660 1 36 VAL MG2 1 120 HIS H . . 5.370 4.968 4.795 5.171 . 0 0 "[ . 1 . 2]" 1 661 1 37 GLU H 1 37 GLU QB . . 3.150 2.179 2.067 2.305 . 0 0 "[ . 1 . 2]" 1 662 1 37 GLU H 1 37 GLU HG2 . . 4.740 4.533 4.301 4.675 . 0 0 "[ . 1 . 2]" 1 663 1 37 GLU H 1 37 GLU HG3 . . 4.330 4.118 3.791 4.310 . 0 0 "[ . 1 . 2]" 1 664 1 37 GLU H 1 118 ILE MD . . 4.380 3.836 3.274 4.341 . 0 0 "[ . 1 . 2]" 1 665 1 37 GLU HA 1 37 GLU HG2 . . 3.870 2.803 2.084 3.357 . 0 0 "[ . 1 . 2]" 1 666 1 37 GLU HA 1 38 VAL H . . 3.410 2.261 2.202 2.411 . 0 0 "[ . 1 . 2]" 1 667 1 37 GLU QB 1 38 VAL H . . 4.050 3.513 2.824 3.941 . 0 0 "[ . 1 . 2]" 1 668 1 37 GLU QB 1 38 VAL QG . . 4.480 4.177 3.935 4.374 . 0 0 "[ . 1 . 2]" 1 669 1 37 GLU QB 1 116 ARG HD3 . . 4.090 4.064 3.878 4.174 0.084 12 0 "[ . 1 . 2]" 1 670 1 37 GLU QB 1 118 ILE MD . . 3.620 3.309 2.859 3.741 0.121 20 0 "[ . 1 . 2]" 1 671 1 37 GLU HG2 1 38 VAL H . . 4.360 3.437 2.414 4.039 . 0 0 "[ . 1 . 2]" 1 672 1 37 GLU HG2 1 117 TRP H . . 5.500 4.359 3.731 5.253 . 0 0 "[ . 1 . 2]" 1 673 1 37 GLU HG2 1 118 ILE MD . . 3.730 3.455 2.492 3.776 0.046 13 0 "[ . 1 . 2]" 1 674 1 37 GLU HG3 1 38 VAL H . . 4.480 3.773 3.247 4.338 . 0 0 "[ . 1 . 2]" 1 675 1 37 GLU HG3 1 38 VAL QG . . 4.520 4.360 4.098 4.881 0.361 8 0 "[ . 1 . 2]" 1 676 1 37 GLU HG3 1 116 ARG HD3 . . 4.590 2.138 1.955 2.565 . 0 0 "[ . 1 . 2]" 1 677 1 37 GLU HG3 1 117 TRP H . . 5.240 4.464 3.722 5.034 . 0 0 "[ . 1 . 2]" 1 678 1 37 GLU HG3 1 118 ILE MD . . 3.790 2.226 1.886 3.074 . 0 0 "[ . 1 . 2]" 1 679 1 38 VAL H 1 38 VAL QG . . 3.230 1.862 1.766 2.040 . 0 0 "[ . 1 . 2]" 1 680 1 38 VAL H 1 108 ILE MG . . 5.350 4.679 4.115 5.249 . 0 0 "[ . 1 . 2]" 1 681 1 38 VAL H 1 117 TRP H . . 5.500 5.062 4.375 5.532 0.032 18 0 "[ . 1 . 2]" 1 682 1 38 VAL H 1 117 TRP HB2 . . 5.190 3.664 3.398 4.139 . 0 0 "[ . 1 . 2]" 1 683 1 38 VAL H 1 117 TRP HB3 . . 5.200 4.580 4.192 5.073 . 0 0 "[ . 1 . 2]" 1 684 1 38 VAL H 1 118 ILE MD . . 4.010 4.101 3.808 4.347 0.337 13 0 "[ . 1 . 2]" 1 685 1 38 VAL H 1 118 ILE MG . . 4.420 5.036 4.503 5.110 0.690 15 18 "[*********-****+ ***2]" 1 686 1 38 VAL H 1 119 CYS H . . 5.030 4.000 2.737 4.675 . 0 0 "[ . 1 . 2]" 1 687 1 38 VAL HA 1 38 VAL QG . . 3.150 2.272 2.184 2.349 . 0 0 "[ . 1 . 2]" 1 688 1 38 VAL HB 1 39 ASP H . . 3.580 2.065 1.907 2.509 . 0 0 "[ . 1 . 2]" 1 689 1 38 VAL HB 1 46 ILE MG . . 3.200 2.710 2.512 3.114 . 0 0 "[ . 1 . 2]" 1 690 1 38 VAL QG 1 40 GLU H . . 3.630 3.515 2.728 3.618 . 0 0 "[ . 1 . 2]" 1 691 1 38 VAL QG 1 108 ILE HA . . 4.430 3.384 2.475 3.815 . 0 0 "[ . 1 . 2]" 1 692 1 38 VAL QG 1 108 ILE HB . . 5.000 4.078 3.605 4.363 . 0 0 "[ . 1 . 2]" 1 693 1 38 VAL QG 1 108 ILE MD . . 3.300 2.360 1.873 2.628 . 0 0 "[ . 1 . 2]" 1 694 1 38 VAL QG 1 109 CYS H . . 5.100 3.768 2.759 4.105 . 0 0 "[ . 1 . 2]" 1 695 1 38 VAL QG 1 117 TRP H . . 4.630 4.016 2.875 4.391 . 0 0 "[ . 1 . 2]" 1 696 1 38 VAL QG 1 117 TRP HA . . 4.530 3.924 3.498 4.288 . 0 0 "[ . 1 . 2]" 1 697 1 38 VAL QG 1 117 TRP HB2 . . 3.470 2.097 1.838 2.408 . 0 0 "[ . 1 . 2]" 1 698 1 38 VAL QG 1 117 TRP HB3 . . 3.490 2.491 1.897 2.997 . 0 0 "[ . 1 . 2]" 1 699 1 38 VAL QG 1 117 TRP HD1 . . 4.770 4.076 3.386 4.389 . 0 0 "[ . 1 . 2]" 1 700 1 38 VAL QG 1 117 TRP HE3 . . 4.520 4.078 3.450 4.442 . 0 0 "[ . 1 . 2]" 1 701 1 38 VAL QG 1 118 ILE H . . 4.560 3.741 3.340 4.018 . 0 0 "[ . 1 . 2]" 1 702 1 38 VAL QG 1 119 CYS H . . 4.240 3.055 2.569 3.381 . 0 0 "[ . 1 . 2]" 1 703 1 38 VAL QG 1 119 CYS HA . . 4.280 3.331 2.361 3.605 . 0 0 "[ . 1 . 2]" 1 704 1 38 VAL QG 1 119 CYS HB2 . . 3.400 1.792 1.748 1.838 . 0 0 "[ . 1 . 2]" 1 705 1 39 ASP H 1 39 ASP HB2 . . 3.740 2.685 2.158 2.888 . 0 0 "[ . 1 . 2]" 1 706 1 39 ASP H 1 39 ASP HB3 . . 3.640 3.121 2.925 3.513 . 0 0 "[ . 1 . 2]" 1 707 1 39 ASP H 1 40 GLU H . . 3.930 1.882 1.769 2.463 . 0 0 "[ . 1 . 2]" 1 708 1 39 ASP H 1 46 ILE MD . . 4.050 3.738 3.443 4.062 0.012 6 0 "[ . 1 . 2]" 1 709 1 39 ASP H 1 46 ILE MG . . 3.950 3.226 2.156 3.701 . 0 0 "[ . 1 . 2]" 1 710 1 39 ASP HB2 1 40 GLU H . . 4.590 3.326 2.427 4.206 . 0 0 "[ . 1 . 2]" 1 711 1 39 ASP HB2 1 40 GLU QG . . 4.300 3.671 2.991 4.068 . 0 0 "[ . 1 . 2]" 1 712 1 39 ASP HB2 1 46 ILE MD . . 4.610 4.364 1.968 4.948 0.338 19 0 "[ . 1 . 2]" 1 713 1 39 ASP HB3 1 40 GLU H . . 4.750 2.803 2.468 3.905 . 0 0 "[ . 1 . 2]" 1 714 1 39 ASP HB3 1 40 GLU QG . . 4.290 2.421 2.224 2.896 . 0 0 "[ . 1 . 2]" 1 715 1 39 ASP HB3 1 46 ILE MD . . 4.830 4.144 2.557 4.472 . 0 0 "[ . 1 . 2]" 1 716 1 39 ASP HB3 1 46 ILE MG . . 4.970 4.909 3.143 5.414 0.444 7 0 "[ . 1 . 2]" 1 717 1 40 GLU H 1 40 GLU QG . . 4.090 2.269 1.895 3.015 . 0 0 "[ . 1 . 2]" 1 718 1 40 GLU H 1 41 SER H . . 5.230 2.251 1.907 2.583 . 0 0 "[ . 1 . 2]" 1 719 1 40 GLU H 1 46 ILE MD . . 3.650 3.060 2.587 3.831 0.181 10 0 "[ . 1 . 2]" 1 720 1 40 GLU H 1 46 ILE HG13 . . 5.240 4.601 3.782 5.062 . 0 0 "[ . 1 . 2]" 1 721 1 40 GLU H 1 46 ILE MG . . 3.720 3.276 2.034 3.726 0.006 10 0 "[ . 1 . 2]" 1 722 1 40 GLU HA 1 40 GLU QG . . 3.500 2.793 2.601 3.286 . 0 0 "[ . 1 . 2]" 1 723 1 40 GLU HA 1 41 SER H . . 3.570 3.585 3.499 3.642 0.072 16 0 "[ . 1 . 2]" 1 724 1 40 GLU HA 1 42 ARG H . . 4.810 4.174 4.016 4.838 0.028 16 0 "[ . 1 . 2]" 1 725 1 40 GLU HA 1 46 ILE MD . . 4.770 4.679 4.245 5.084 0.314 19 0 "[ . 1 . 2]" 1 726 1 40 GLU HB2 1 41 SER H . . 4.480 2.738 1.932 3.464 . 0 0 "[ . 1 . 2]" 1 727 1 40 GLU HB2 1 42 ARG H . . 3.990 2.256 1.988 2.501 . 0 0 "[ . 1 . 2]" 1 728 1 40 GLU HB2 1 46 ILE MD . . 3.360 2.550 2.090 3.767 0.407 19 0 "[ . 1 . 2]" 1 729 1 40 GLU HB2 1 46 ILE MG . . 4.320 3.514 3.087 4.474 0.154 19 0 "[ . 1 . 2]" 1 730 1 40 GLU HB3 1 41 SER H . . 4.060 3.918 3.084 4.294 0.234 19 0 "[ . 1 . 2]" 1 731 1 40 GLU HB3 1 42 ARG H . . 4.090 3.187 2.900 4.011 . 0 0 "[ . 1 . 2]" 1 732 1 40 GLU HB3 1 46 ILE MD . . 3.670 3.718 3.435 3.787 0.117 20 0 "[ . 1 . 2]" 1 733 1 40 GLU QG 1 41 SER H . . 4.490 3.806 3.350 3.937 . 0 0 "[ . 1 . 2]" 1 734 1 40 GLU QG 1 42 ARG H . . 4.680 4.132 3.856 4.289 . 0 0 "[ . 1 . 2]" 1 735 1 40 GLU QG 1 45 HIS HD2 . . 4.690 5.165 4.156 5.662 0.972 17 12 "[** *.* **1 * -*+**2]" 1 736 1 40 GLU QG 1 46 ILE MD . . 3.410 2.005 1.719 2.207 . 0 0 "[ . 1 . 2]" 1 737 1 40 GLU QG 1 46 ILE MG . . 4.420 3.695 3.052 4.110 . 0 0 "[ . 1 . 2]" 1 738 1 41 SER H 1 42 ARG H . . 3.940 2.466 1.843 2.903 . 0 0 "[ . 1 . 2]" 1 739 1 41 SER H 1 46 ILE MD . . 5.140 3.694 3.243 4.234 . 0 0 "[ . 1 . 2]" 1 740 1 41 SER H 1 108 ILE MD . . 5.500 2.931 2.515 3.294 . 0 0 "[ . 1 . 2]" 1 741 1 41 SER H 1 108 ILE QG . . 5.410 4.951 4.303 5.291 . 0 0 "[ . 1 . 2]" 1 742 1 41 SER H 1 108 ILE MG . . 5.200 3.933 3.670 4.239 . 0 0 "[ . 1 . 2]" 1 743 1 41 SER HA 1 108 ILE HB . . 4.270 4.260 3.886 4.351 0.081 9 0 "[ . 1 . 2]" 1 744 1 41 SER HA 1 108 ILE MD . . 4.300 2.012 1.828 2.488 . 0 0 "[ . 1 . 2]" 1 745 1 41 SER HA 1 108 ILE MG . . 3.250 2.138 1.944 2.429 . 0 0 "[ . 1 . 2]" 1 746 1 42 ARG H 1 42 ARG HB3 . . 4.160 3.519 3.327 3.877 . 0 0 "[ . 1 . 2]" 1 747 1 42 ARG H 1 42 ARG QD . . 4.130 3.511 2.265 3.972 . 0 0 "[ . 1 . 2]" 1 748 1 42 ARG H 1 42 ARG HG2 . . 4.120 2.782 2.102 4.375 0.255 19 0 "[ . 1 . 2]" 1 749 1 42 ARG H 1 42 ARG HG3 . . 4.250 3.467 2.332 4.000 . 0 0 "[ . 1 . 2]" 1 750 1 42 ARG H 1 43 GLY HA3 . . 5.190 4.448 4.362 4.732 . 0 0 "[ . 1 . 2]" 1 751 1 42 ARG H 1 46 ILE MD . . 4.640 3.870 3.492 4.723 0.083 19 0 "[ . 1 . 2]" 1 752 1 42 ARG H 1 46 ILE HG13 . . 4.560 3.283 2.864 4.008 . 0 0 "[ . 1 . 2]" 1 753 1 42 ARG H 1 46 ILE MG . . 5.240 3.716 3.288 4.217 . 0 0 "[ . 1 . 2]" 1 754 1 42 ARG H 1 108 ILE MD . . 4.370 3.043 2.804 3.408 . 0 0 "[ . 1 . 2]" 1 755 1 42 ARG HA 1 42 ARG QD . . 4.690 3.927 3.601 4.196 . 0 0 "[ . 1 . 2]" 1 756 1 42 ARG HA 1 94 PHE HB2 . . 4.090 3.580 3.071 4.157 0.067 9 0 "[ . 1 . 2]" 1 757 1 42 ARG HA 1 94 PHE HB3 . . 4.360 3.222 2.499 3.702 . 0 0 "[ . 1 . 2]" 1 758 1 42 ARG HA 1 94 PHE QD . . 4.650 2.961 2.305 3.538 . 0 0 "[ . 1 . 2]" 1 759 1 42 ARG HA 1 108 ILE MD . . 3.670 2.324 1.961 3.107 . 0 0 "[ . 1 . 2]" 1 760 1 42 ARG HB2 1 43 GLY H . . 4.290 3.386 3.171 3.740 . 0 0 "[ . 1 . 2]" 1 761 1 42 ARG HB2 1 43 GLY HA3 . . 5.250 4.921 4.712 5.086 . 0 0 "[ . 1 . 2]" 1 762 1 42 ARG HB2 1 94 PHE HB2 . . 4.580 4.207 3.165 4.642 0.062 2 0 "[ . 1 . 2]" 1 763 1 42 ARG HB2 1 94 PHE QD . . 4.730 4.244 3.819 4.710 . 0 0 "[ . 1 . 2]" 1 764 1 42 ARG HB3 1 43 GLY H . . 4.130 4.190 2.882 4.367 0.237 1 0 "[ . 1 . 2]" 1 765 1 42 ARG HB3 1 94 PHE HB2 . . 4.580 3.779 2.747 4.509 . 0 0 "[ . 1 . 2]" 1 766 1 42 ARG HB3 1 94 PHE QD . . 4.640 4.498 2.987 4.827 0.187 13 0 "[ . 1 . 2]" 1 767 1 42 ARG QD 1 108 ILE MD . . 4.940 4.790 4.332 5.055 0.115 10 0 "[ . 1 . 2]" 1 768 1 43 GLY H 1 94 PHE QE . . 4.730 2.734 2.223 3.361 . 0 0 "[ . 1 . 2]" 1 769 1 43 GLY H 1 96 ALA MB . . 4.490 4.565 4.415 4.587 0.097 8 0 "[ . 1 . 2]" 1 770 1 43 GLY H 1 108 ILE MD . . 4.560 3.265 2.849 3.753 . 0 0 "[ . 1 . 2]" 1 771 1 43 GLY HA2 1 44 MET ME . . 4.040 3.181 2.736 3.754 . 0 0 "[ . 1 . 2]" 1 772 1 43 GLY HA2 1 45 HIS HE1 . . 4.110 4.297 3.893 4.438 0.328 17 0 "[ . 1 . 2]" 1 773 1 43 GLY HA2 1 46 ILE H . . 5.020 4.137 3.907 4.415 . 0 0 "[ . 1 . 2]" 1 774 1 43 GLY HA2 1 46 ILE HB . . 5.130 4.743 4.364 5.227 0.097 13 0 "[ . 1 . 2]" 1 775 1 43 GLY HA2 1 46 ILE MD . . 4.960 4.731 4.693 4.778 . 0 0 "[ . 1 . 2]" 1 776 1 43 GLY HA2 1 46 ILE HG12 . . 5.180 3.680 3.591 3.777 . 0 0 "[ . 1 . 2]" 1 777 1 43 GLY HA2 1 46 ILE HG13 . . 4.970 3.822 3.596 4.733 . 0 0 "[ . 1 . 2]" 1 778 1 43 GLY HA3 1 44 MET QB . . 4.920 5.054 4.952 5.166 0.246 9 0 "[ . 1 . 2]" 1 779 1 43 GLY HA3 1 45 HIS HE1 . . 4.430 3.699 2.834 4.124 . 0 0 "[ . 1 . 2]" 1 780 1 43 GLY HA3 1 46 ILE MD . . 4.630 3.286 3.236 3.383 . 0 0 "[ . 1 . 2]" 1 781 1 43 GLY HA3 1 46 ILE HG13 . . 5.220 2.231 1.980 3.306 . 0 0 "[ . 1 . 2]" 1 782 1 43 GLY HA3 1 47 CYS H . . 5.370 4.970 4.554 5.564 0.194 13 0 "[ . 1 . 2]" 1 783 1 43 GLY HA3 1 94 PHE QE . . 5.040 4.574 4.177 5.229 0.189 3 0 "[ . 1 . 2]" 1 784 1 44 MET H 1 44 MET HG2 . . 4.430 3.706 3.468 3.944 . 0 0 "[ . 1 . 2]" 1 785 1 44 MET H 1 44 MET HG3 . . 4.600 2.424 1.952 3.544 . 0 0 "[ . 1 . 2]" 1 786 1 44 MET H 1 94 PHE QE . . 5.500 3.349 2.644 4.168 . 0 0 "[ . 1 . 2]" 1 787 1 44 MET HA 1 44 MET HG2 . . 3.890 3.030 2.788 3.582 . 0 0 "[ . 1 . 2]" 1 788 1 44 MET HA 1 44 MET HG3 . . 3.830 2.516 2.225 2.717 . 0 0 "[ . 1 . 2]" 1 789 1 44 MET HA 1 46 ILE H . . 5.070 3.769 3.531 4.029 . 0 0 "[ . 1 . 2]" 1 790 1 44 MET HA 1 47 CYS H . . 4.590 3.752 3.485 4.053 . 0 0 "[ . 1 . 2]" 1 791 1 44 MET HA 1 47 CYS QB . . 4.280 3.862 3.292 4.593 0.313 19 0 "[ . 1 . 2]" 1 792 1 44 MET HA 1 94 PHE QE . . 4.450 2.541 2.299 2.930 . 0 0 "[ . 1 . 2]" 1 793 1 44 MET HA 1 94 PHE HZ . . 3.850 3.634 2.019 3.918 0.068 9 0 "[ . 1 . 2]" 1 794 1 44 MET HA 1 96 ALA MB . . 3.960 2.205 1.985 2.623 . 0 0 "[ . 1 . 2]" 1 795 1 44 MET QB 1 94 PHE QE . . 4.690 4.188 3.760 4.682 . 0 0 "[ . 1 . 2]" 1 796 1 44 MET QB 1 94 PHE HZ . . 4.390 4.283 3.581 4.474 0.084 16 0 "[ . 1 . 2]" 1 797 1 44 MET QB 1 96 ALA MB . . 3.570 3.006 2.587 3.571 0.001 8 0 "[ . 1 . 2]" 1 798 1 44 MET ME 1 45 HIS H . . 3.970 3.740 3.341 3.992 0.022 6 0 "[ . 1 . 2]" 1 799 1 44 MET ME 1 94 PHE QE . . 4.130 3.931 3.197 4.200 0.070 11 0 "[ . 1 . 2]" 1 800 1 44 MET HG2 1 94 PHE QE . . 4.370 3.835 3.078 4.498 0.128 11 0 "[ . 1 . 2]" 1 801 1 44 MET HG2 1 94 PHE HZ . . 3.990 3.096 2.459 3.708 . 0 0 "[ . 1 . 2]" 1 802 1 44 MET HG2 1 96 ALA MB . . 4.040 2.452 1.885 3.218 . 0 0 "[ . 1 . 2]" 1 803 1 44 MET HG3 1 94 PHE QE . . 4.530 2.827 2.021 3.382 . 0 0 "[ . 1 . 2]" 1 804 1 44 MET HG3 1 94 PHE HZ . . 4.070 2.253 2.000 2.803 . 0 0 "[ . 1 . 2]" 1 805 1 44 MET HG3 1 96 ALA MB . . 3.710 2.789 1.885 3.686 . 0 0 "[ . 1 . 2]" 1 806 1 45 HIS H 1 46 ILE H . . 5.500 2.375 2.200 2.622 . 0 0 "[ . 1 . 2]" 1 807 1 45 HIS HA 1 48 GLU H . . 4.220 3.617 3.476 3.821 . 0 0 "[ . 1 . 2]" 1 808 1 45 HIS HA 1 48 GLU HB2 . . 4.180 2.842 2.410 3.130 . 0 0 "[ . 1 . 2]" 1 809 1 45 HIS HA 1 48 GLU HB3 . . 4.690 4.403 3.719 4.772 0.082 3 0 "[ . 1 . 2]" 1 810 1 45 HIS HB2 1 45 HIS HD2 . . 3.710 2.859 2.806 2.902 . 0 0 "[ . 1 . 2]" 1 811 1 45 HIS HB2 1 46 ILE H . . 5.020 4.277 4.069 4.365 . 0 0 "[ . 1 . 2]" 1 812 1 45 HIS HB2 1 48 GLU HB2 . . 4.900 4.394 4.113 4.683 . 0 0 "[ . 1 . 2]" 1 813 1 45 HIS HB3 1 46 ILE H . . 4.810 4.306 4.189 4.400 . 0 0 "[ . 1 . 2]" 1 814 1 45 HIS HD2 1 46 ILE HA . . 5.030 3.523 3.328 3.863 . 0 0 "[ . 1 . 2]" 1 815 1 45 HIS HD2 1 46 ILE MD . . 3.700 2.753 2.125 3.143 . 0 0 "[ . 1 . 2]" 1 816 1 45 HIS HD2 1 46 ILE HG12 . . 4.560 3.656 3.461 4.219 . 0 0 "[ . 1 . 2]" 1 817 1 45 HIS HD2 1 46 ILE HG13 . . 5.050 5.063 4.979 5.099 0.049 19 0 "[ . 1 . 2]" 1 818 1 45 HIS HE1 1 46 ILE MD . . 4.280 3.795 3.351 4.121 . 0 0 "[ . 1 . 2]" 1 819 1 45 HIS HE1 1 46 ILE HG12 . . 4.660 4.102 4.009 4.186 . 0 0 "[ . 1 . 2]" 1 820 1 45 HIS HE1 1 46 ILE HG13 . . 4.950 4.970 4.884 5.015 0.065 10 0 "[ . 1 . 2]" 1 821 1 46 ILE H 1 46 ILE HB . . 3.650 2.513 2.453 2.588 . 0 0 "[ . 1 . 2]" 1 822 1 46 ILE H 1 46 ILE MD . . 3.830 3.362 2.555 3.523 . 0 0 "[ . 1 . 2]" 1 823 1 46 ILE H 1 46 ILE HG12 . . 3.930 1.933 1.888 1.967 . 0 0 "[ . 1 . 2]" 1 824 1 46 ILE H 1 46 ILE HG13 . . 4.150 3.270 3.142 3.452 . 0 0 "[ . 1 . 2]" 1 825 1 46 ILE H 1 46 ILE MG . . 4.020 3.726 3.705 3.751 . 0 0 "[ . 1 . 2]" 1 826 1 46 ILE H 1 47 CYS H . . 4.010 2.690 2.420 2.893 . 0 0 "[ . 1 . 2]" 1 827 1 46 ILE H 1 48 GLU H . . 5.400 4.144 3.697 4.554 . 0 0 "[ . 1 . 2]" 1 828 1 46 ILE HA 1 46 ILE MD . . 3.060 2.203 1.933 2.372 . 0 0 "[ . 1 . 2]" 1 829 1 46 ILE HA 1 46 ILE HG13 . . 4.130 3.816 3.703 3.869 . 0 0 "[ . 1 . 2]" 1 830 1 46 ILE HA 1 46 ILE MG . . 3.300 2.292 2.185 2.443 . 0 0 "[ . 1 . 2]" 1 831 1 46 ILE HA 1 49 ASP H . . 4.470 3.288 3.051 3.445 . 0 0 "[ . 1 . 2]" 1 832 1 46 ILE HA 1 49 ASP HB2 . . 4.070 2.177 1.988 2.542 . 0 0 "[ . 1 . 2]" 1 833 1 46 ILE HA 1 49 ASP HB3 . . 3.980 3.365 3.105 3.775 . 0 0 "[ . 1 . 2]" 1 834 1 46 ILE HA 1 50 ALA H . . 4.980 4.238 3.902 4.437 . 0 0 "[ . 1 . 2]" 1 835 1 46 ILE HB 1 46 ILE MD . . 3.580 3.187 3.166 3.216 . 0 0 "[ . 1 . 2]" 1 836 1 46 ILE HB 1 47 CYS H . . 3.890 2.333 2.120 2.587 . 0 0 "[ . 1 . 2]" 1 837 1 46 ILE HB 1 108 ILE MD . . 4.060 2.643 2.178 3.121 . 0 0 "[ . 1 . 2]" 1 838 1 46 ILE MD 1 46 ILE MG . . 2.650 1.907 1.812 2.198 . 0 0 "[ . 1 . 2]" 1 839 1 46 ILE MD 1 47 CYS H . . 4.720 4.675 4.415 4.748 0.028 12 0 "[ . 1 . 2]" 1 840 1 46 ILE MD 1 49 ASP H . . 5.170 4.994 4.553 5.241 0.071 18 0 "[ . 1 . 2]" 1 841 1 46 ILE MD 1 49 ASP HB2 . . 4.760 3.660 3.277 4.025 . 0 0 "[ . 1 . 2]" 1 842 1 46 ILE HG12 1 47 CYS H . . 4.830 4.048 3.868 4.175 . 0 0 "[ . 1 . 2]" 1 843 1 46 ILE HG13 1 47 CYS H . . 5.100 4.517 4.290 4.849 . 0 0 "[ . 1 . 2]" 1 844 1 46 ILE MG 1 47 CYS H . . 4.270 3.380 3.059 3.725 . 0 0 "[ . 1 . 2]" 1 845 1 46 ILE MG 1 47 CYS HA . . 4.040 3.668 3.349 3.996 . 0 0 "[ . 1 . 2]" 1 846 1 46 ILE MG 1 49 ASP HB2 . . 4.620 3.570 3.297 3.967 . 0 0 "[ . 1 . 2]" 1 847 1 46 ILE MG 1 49 ASP HB3 . . 4.390 3.759 3.393 4.342 . 0 0 "[ . 1 . 2]" 1 848 1 46 ILE MG 1 50 ALA H . . 4.330 4.159 3.816 4.269 . 0 0 "[ . 1 . 2]" 1 849 1 46 ILE MG 1 50 ALA MB . . 4.140 3.648 3.218 4.129 . 0 0 "[ . 1 . 2]" 1 850 1 47 CYS H 1 47 CYS HG . . 5.500 3.307 2.018 4.818 . 0 0 "[ . 1 . 2]" 1 851 1 47 CYS H 1 48 GLU H . . 4.030 3.025 2.865 3.137 . 0 0 "[ . 1 . 2]" 1 852 1 47 CYS H 1 49 ASP H . . 5.500 4.411 4.235 4.742 . 0 0 "[ . 1 . 2]" 1 853 1 47 CYS H 1 108 ILE MD . . 4.300 3.899 3.265 4.338 0.038 13 0 "[ . 1 . 2]" 1 854 1 47 CYS HA 1 50 ALA H . . 4.270 3.594 3.333 3.859 . 0 0 "[ . 1 . 2]" 1 855 1 47 CYS HA 1 50 ALA MB . . 3.400 2.742 2.348 3.136 . 0 0 "[ . 1 . 2]" 1 856 1 47 CYS HA 1 106 SER QB . . 4.860 3.124 2.271 3.763 . 0 0 "[ . 1 . 2]" 1 857 1 47 CYS QB 1 48 GLU H . . 3.960 2.571 2.204 3.496 . 0 0 "[ . 1 . 2]" 1 858 1 47 CYS QB 1 51 VAL MG2 . . 4.680 4.190 3.823 4.589 . 0 0 "[ . 1 . 2]" 1 859 1 47 CYS QB 1 106 SER H . . 5.500 3.167 2.892 3.647 . 0 0 "[ . 1 . 2]" 1 860 1 47 CYS QB 1 106 SER QB . . 4.130 2.669 1.941 3.628 . 0 0 "[ . 1 . 2]" 1 861 1 48 GLU H 1 48 GLU HB2 . . 3.700 2.292 2.125 2.509 . 0 0 "[ . 1 . 2]" 1 862 1 48 GLU H 1 48 GLU HB3 . . 3.970 3.503 3.426 3.548 . 0 0 "[ . 1 . 2]" 1 863 1 48 GLU H 1 48 GLU HG2 . . 4.340 3.873 3.095 4.214 . 0 0 "[ . 1 . 2]" 1 864 1 48 GLU H 1 48 GLU HG3 . . 3.920 2.813 2.004 3.829 . 0 0 "[ . 1 . 2]" 1 865 1 48 GLU H 1 49 ASP H . . 4.530 2.848 2.580 2.915 . 0 0 "[ . 1 . 2]" 1 866 1 48 GLU H 1 49 ASP HB2 . . 4.920 4.528 4.330 4.585 . 0 0 "[ . 1 . 2]" 1 867 1 48 GLU H 1 50 ALA H . . 4.830 3.970 3.786 4.193 . 0 0 "[ . 1 . 2]" 1 868 1 48 GLU H 1 51 VAL MG2 . . 4.400 4.468 4.183 4.512 0.112 16 0 "[ . 1 . 2]" 1 869 1 48 GLU HA 1 48 GLU HG3 . . 3.860 2.406 2.115 3.147 . 0 0 "[ . 1 . 2]" 1 870 1 48 GLU HA 1 51 VAL H . . 4.420 3.317 3.176 3.520 . 0 0 "[ . 1 . 2]" 1 871 1 48 GLU HA 1 51 VAL HB . . 3.460 3.374 3.035 3.531 0.071 19 0 "[ . 1 . 2]" 1 872 1 48 GLU HA 1 51 VAL MG1 . . 4.610 4.566 4.356 4.677 0.067 19 0 "[ . 1 . 2]" 1 873 1 48 GLU HA 1 51 VAL MG2 . . 4.000 2.340 2.047 2.772 . 0 0 "[ . 1 . 2]" 1 874 1 48 GLU HA 1 52 LYS H . . 5.170 4.386 3.995 4.901 . 0 0 "[ . 1 . 2]" 1 875 1 48 GLU HB2 1 49 ASP H . . 4.760 2.576 2.379 2.890 . 0 0 "[ . 1 . 2]" 1 876 1 48 GLU HB2 1 100 ASN HD22 . . 5.160 3.594 2.884 4.649 . 0 0 "[ . 1 . 2]" 1 877 1 48 GLU HB3 1 49 ASP H . . 4.500 3.269 2.806 3.609 . 0 0 "[ . 1 . 2]" 1 878 1 48 GLU HB3 1 49 ASP HB2 . . 4.850 5.178 4.769 5.450 0.600 19 4 "[ * 1 -* +2]" 1 879 1 48 GLU HB3 1 50 ALA H . . 5.040 5.029 4.840 5.229 0.189 20 0 "[ . 1 . 2]" 1 880 1 48 GLU HB3 1 100 ASN HD22 . . 4.610 2.612 2.009 3.782 . 0 0 "[ . 1 . 2]" 1 881 1 48 GLU HG2 1 99 ARG H . . 4.850 3.150 2.239 4.063 . 0 0 "[ . 1 . 2]" 1 882 1 48 GLU HG3 1 51 VAL MG2 . . 4.470 4.052 3.370 5.088 0.618 19 1 "[ . 1 . +2]" 1 883 1 48 GLU HG3 1 99 ARG H . . 4.990 3.928 3.198 4.800 . 0 0 "[ . 1 . 2]" 1 884 1 49 ASP H 1 49 ASP HB2 . . 3.300 2.047 2.006 2.081 . 0 0 "[ . 1 . 2]" 1 885 1 49 ASP H 1 49 ASP HB3 . . 3.360 3.311 3.215 3.369 0.009 18 0 "[ . 1 . 2]" 1 886 1 49 ASP H 1 50 ALA H . . 3.740 2.807 2.642 2.923 . 0 0 "[ . 1 . 2]" 1 887 1 49 ASP H 1 51 VAL H . . 5.200 4.748 4.449 4.959 . 0 0 "[ . 1 . 2]" 1 888 1 49 ASP HA 1 51 VAL H . . 5.480 4.851 4.395 5.112 . 0 0 "[ . 1 . 2]" 1 889 1 49 ASP HA 1 52 LYS H . . 4.400 3.806 3.425 4.050 . 0 0 "[ . 1 . 2]" 1 890 1 49 ASP HA 1 52 LYS HB2 . . 3.960 2.839 2.503 3.094 . 0 0 "[ . 1 . 2]" 1 891 1 49 ASP HA 1 52 LYS QD . . 3.730 2.181 1.992 2.943 . 0 0 "[ . 1 . 2]" 1 892 1 49 ASP HA 1 52 LYS QE . . 4.020 3.820 2.116 4.086 0.066 11 0 "[ . 1 . 2]" 1 893 1 49 ASP HA 1 52 LYS HG2 . . 4.740 4.709 4.549 4.819 0.079 8 0 "[ . 1 . 2]" 1 894 1 49 ASP HB2 1 50 ALA H . . 3.890 3.252 3.097 3.394 . 0 0 "[ . 1 . 2]" 1 895 1 49 ASP HB2 1 50 ALA HA . . 4.980 4.983 4.817 5.105 0.125 16 0 "[ . 1 . 2]" 1 896 1 49 ASP HB3 1 50 ALA H . . 3.700 3.181 2.819 3.348 . 0 0 "[ . 1 . 2]" 1 897 1 49 ASP HB3 1 50 ALA MB . . 4.670 4.206 3.967 4.373 . 0 0 "[ . 1 . 2]" 1 898 1 50 ALA H 1 50 ALA MB . . 3.040 2.097 2.013 2.158 . 0 0 "[ . 1 . 2]" 1 899 1 50 ALA H 1 51 VAL H . . 3.830 2.826 2.669 2.937 . 0 0 "[ . 1 . 2]" 1 900 1 50 ALA H 1 51 VAL HB . . 5.020 4.890 4.739 4.939 . 0 0 "[ . 1 . 2]" 1 901 1 50 ALA H 1 51 VAL MG2 . . 4.890 3.998 3.771 4.252 . 0 0 "[ . 1 . 2]" 1 902 1 50 ALA HA 1 53 ARG H . . 3.900 3.472 3.352 3.645 . 0 0 "[ . 1 . 2]" 1 903 1 50 ALA HA 1 53 ARG HB2 . . 3.750 2.549 2.397 2.695 . 0 0 "[ . 1 . 2]" 1 904 1 50 ALA HA 1 53 ARG HB3 . . 3.760 3.496 3.213 3.832 0.072 2 0 "[ . 1 . 2]" 1 905 1 50 ALA HA 1 53 ARG QD . . 4.110 3.126 2.861 3.376 . 0 0 "[ . 1 . 2]" 1 906 1 50 ALA HA 1 53 ARG HE . . 5.500 4.986 4.015 5.407 . 0 0 "[ . 1 . 2]" 1 907 1 50 ALA HA 1 54 LEU H . . 4.880 4.449 4.220 4.774 . 0 0 "[ . 1 . 2]" 1 908 1 50 ALA MB 1 51 VAL H . . 3.310 2.214 2.040 2.511 . 0 0 "[ . 1 . 2]" 1 909 1 50 ALA MB 1 51 VAL HB . . 4.780 4.531 4.393 4.672 . 0 0 "[ . 1 . 2]" 1 910 1 50 ALA MB 1 51 VAL MG2 . . 3.620 2.956 2.797 3.185 . 0 0 "[ . 1 . 2]" 1 911 1 50 ALA MB 1 52 LYS H . . 4.830 4.682 4.564 4.752 . 0 0 "[ . 1 . 2]" 1 912 1 50 ALA MB 1 53 ARG QD . . 4.230 4.164 3.894 4.363 0.133 12 0 "[ . 1 . 2]" 1 913 1 50 ALA MB 1 119 CYS HB2 . . 4.300 3.749 3.331 4.040 . 0 0 "[ . 1 . 2]" 1 914 1 50 ALA MB 1 119 CYS HB3 . . 4.520 2.758 2.305 3.234 . 0 0 "[ . 1 . 2]" 1 915 1 51 VAL H 1 51 VAL HB . . 3.480 2.619 2.515 2.708 . 0 0 "[ . 1 . 2]" 1 916 1 51 VAL H 1 51 VAL MG1 . . 3.800 3.692 3.662 3.711 . 0 0 "[ . 1 . 2]" 1 917 1 51 VAL H 1 51 VAL MG2 . . 3.110 1.975 1.847 2.128 . 0 0 "[ . 1 . 2]" 1 918 1 51 VAL H 1 52 LYS H . . 3.770 3.097 2.793 3.201 . 0 0 "[ . 1 . 2]" 1 919 1 51 VAL H 1 52 LYS QD . . 5.180 4.305 4.063 4.585 . 0 0 "[ . 1 . 2]" 1 920 1 51 VAL H 1 53 ARG H . . 4.760 4.241 3.991 4.486 . 0 0 "[ . 1 . 2]" 1 921 1 51 VAL H 1 104 ALA MB . . 5.310 5.067 4.883 5.222 . 0 0 "[ . 1 . 2]" 1 922 1 51 VAL H 1 121 CYS HB2 . . 4.790 5.061 4.099 5.574 0.784 2 2 "[ + . 1 . -2]" 1 923 1 51 VAL H 1 121 CYS HB3 . . 4.780 4.267 3.805 5.150 0.370 3 0 "[ . 1 . 2]" 1 924 1 51 VAL HA 1 51 VAL MG1 . . 3.170 2.378 2.264 2.470 . 0 0 "[ . 1 . 2]" 1 925 1 51 VAL HA 1 51 VAL MG2 . . 3.110 2.361 2.248 2.477 . 0 0 "[ . 1 . 2]" 1 926 1 51 VAL HA 1 54 LEU H . . 4.110 3.355 3.183 3.538 . 0 0 "[ . 1 . 2]" 1 927 1 51 VAL HA 1 54 LEU HB2 . . 4.770 3.071 2.860 3.218 . 0 0 "[ . 1 . 2]" 1 928 1 51 VAL HA 1 54 LEU HB3 . . 4.760 4.757 4.576 4.881 0.121 6 0 "[ . 1 . 2]" 1 929 1 51 VAL HA 1 54 LEU MD1 . . 3.970 2.586 2.239 2.804 . 0 0 "[ . 1 . 2]" 1 930 1 51 VAL HA 1 55 LYS H . . 4.610 4.246 3.920 4.497 . 0 0 "[ . 1 . 2]" 1 931 1 51 VAL HA 1 121 CYS HB2 . . 4.110 3.670 3.275 3.933 . 0 0 "[ . 1 . 2]" 1 932 1 51 VAL HB 1 52 LYS H . . 3.760 2.215 2.132 2.356 . 0 0 "[ . 1 . 2]" 1 933 1 51 VAL HB 1 52 LYS HA . . 4.830 4.119 3.990 4.276 . 0 0 "[ . 1 . 2]" 1 934 1 51 VAL HB 1 53 ARG H . . 5.070 4.812 4.596 5.000 . 0 0 "[ . 1 . 2]" 1 935 1 51 VAL HB 1 104 ALA MB . . 4.590 3.791 3.512 4.010 . 0 0 "[ . 1 . 2]" 1 936 1 51 VAL MG1 1 52 LYS H . . 3.840 3.286 3.043 3.484 . 0 0 "[ . 1 . 2]" 1 937 1 51 VAL MG1 1 52 LYS HA . . 3.920 3.599 3.314 3.855 . 0 0 "[ . 1 . 2]" 1 938 1 51 VAL MG1 1 52 LYS QD . . 4.750 4.211 3.524 4.819 0.069 5 0 "[ . 1 . 2]" 1 939 1 51 VAL MG1 1 52 LYS HG3 . . 4.780 3.914 3.605 4.208 . 0 0 "[ . 1 . 2]" 1 940 1 51 VAL MG1 1 53 ARG H . . 5.500 4.952 4.654 5.161 . 0 0 "[ . 1 . 2]" 1 941 1 51 VAL MG1 1 54 LEU H . . 4.480 4.487 4.241 4.574 0.094 5 0 "[ . 1 . 2]" 1 942 1 51 VAL MG1 1 55 LYS H . . 4.270 3.962 3.671 4.228 . 0 0 "[ . 1 . 2]" 1 943 1 51 VAL MG1 1 55 LYS HA . . 4.660 4.745 4.663 4.839 0.179 16 0 "[ . 1 . 2]" 1 944 1 51 VAL MG1 1 55 LYS QB . . 3.930 3.421 2.966 3.996 0.066 12 0 "[ . 1 . 2]" 1 945 1 51 VAL MG1 1 55 LYS QD . . 3.190 2.611 1.753 3.276 0.086 9 0 "[ . 1 . 2]" 1 946 1 51 VAL MG1 1 55 LYS QE . . 3.560 2.135 1.688 3.217 . 0 0 "[ . 1 . 2]" 1 947 1 51 VAL MG1 1 101 PHE HB2 . . 4.990 4.502 4.238 4.699 . 0 0 "[ . 1 . 2]" 1 948 1 51 VAL MG1 1 101 PHE QD . . 3.500 3.331 3.162 3.540 0.040 8 0 "[ . 1 . 2]" 1 949 1 51 VAL MG1 1 101 PHE QE . . 4.820 2.626 2.382 2.902 . 0 0 "[ . 1 . 2]" 1 950 1 51 VAL MG1 1 101 PHE HZ . . 3.280 2.652 2.372 3.105 . 0 0 "[ . 1 . 2]" 1 951 1 51 VAL MG1 1 104 ALA MB . . 3.310 2.398 2.112 2.730 . 0 0 "[ . 1 . 2]" 1 952 1 51 VAL MG1 1 121 CYS HB2 . . 4.420 4.260 3.829 4.553 0.133 20 0 "[ . 1 . 2]" 1 953 1 51 VAL MG1 1 121 CYS HB3 . . 4.160 3.641 3.162 4.055 . 0 0 "[ . 1 . 2]" 1 954 1 51 VAL MG2 1 52 LYS H . . 4.050 3.640 3.503 3.777 . 0 0 "[ . 1 . 2]" 1 955 1 51 VAL MG2 1 54 LEU MD1 . . 4.450 3.632 3.406 3.902 . 0 0 "[ . 1 . 2]" 1 956 1 51 VAL MG2 1 101 PHE QD . . 5.060 3.913 3.612 4.209 . 0 0 "[ . 1 . 2]" 1 957 1 51 VAL MG2 1 101 PHE HZ . . 4.620 4.083 3.554 4.699 0.079 4 0 "[ . 1 . 2]" 1 958 1 51 VAL MG2 1 104 ALA MB . . 3.400 2.082 1.918 2.285 . 0 0 "[ . 1 . 2]" 1 959 1 51 VAL MG2 1 106 SER QB . . 4.600 2.890 2.502 3.576 . 0 0 "[ . 1 . 2]" 1 960 1 51 VAL MG2 1 121 CYS HA . . 4.300 3.833 3.562 4.201 . 0 0 "[ . 1 . 2]" 1 961 1 51 VAL MG2 1 121 CYS HB2 . . 3.080 3.377 2.878 3.661 0.581 2 2 "[ + . 1- . 2]" 1 962 1 51 VAL MG2 1 121 CYS HB3 . . 3.760 2.240 1.959 3.552 . 0 0 "[ . 1 . 2]" 1 963 1 51 VAL MG2 1 122 PHE H . . 4.700 4.034 3.787 4.403 . 0 0 "[ . 1 . 2]" 1 964 1 52 LYS H 1 52 LYS HB2 . . 3.540 2.432 2.303 2.599 . 0 0 "[ . 1 . 2]" 1 965 1 52 LYS H 1 52 LYS HB3 . . 3.650 3.541 3.518 3.554 . 0 0 "[ . 1 . 2]" 1 966 1 52 LYS H 1 52 LYS QD . . 3.670 2.377 1.930 2.671 . 0 0 "[ . 1 . 2]" 1 967 1 52 LYS H 1 52 LYS QE . . 4.500 4.224 3.585 4.505 0.005 13 0 "[ . 1 . 2]" 1 968 1 52 LYS H 1 52 LYS HG2 . . 3.890 3.817 3.558 3.995 0.105 18 0 "[ . 1 . 2]" 1 969 1 52 LYS H 1 52 LYS HG3 . . 4.200 2.614 2.063 3.103 . 0 0 "[ . 1 . 2]" 1 970 1 52 LYS H 1 53 ARG H . . 3.760 2.969 2.852 3.088 . 0 0 "[ . 1 . 2]" 1 971 1 52 LYS HA 1 52 LYS QD . . 3.990 3.677 3.338 3.958 . 0 0 "[ . 1 . 2]" 1 972 1 52 LYS HA 1 52 LYS HG2 . . 3.930 3.159 2.943 3.302 . 0 0 "[ . 1 . 2]" 1 973 1 52 LYS HA 1 52 LYS HG3 . . 3.470 2.232 2.076 2.462 . 0 0 "[ . 1 . 2]" 1 974 1 52 LYS HA 1 55 LYS H . . 4.150 3.182 2.858 3.361 . 0 0 "[ . 1 . 2]" 1 975 1 52 LYS HA 1 55 LYS QB . . 3.200 1.968 1.898 2.224 . 0 0 "[ . 1 . 2]" 1 976 1 52 LYS HA 1 55 LYS QD . . 3.950 3.194 2.547 4.081 0.131 19 0 "[ . 1 . 2]" 1 977 1 52 LYS HA 1 55 LYS HG2 . . 4.560 4.224 2.129 4.675 0.115 13 0 "[ . 1 . 2]" 1 978 1 52 LYS HA 1 55 LYS HG3 . . 4.460 3.845 2.263 4.826 0.366 6 0 "[ . 1 . 2]" 1 979 1 52 LYS HA 1 56 ALA H . . 4.710 4.418 4.149 4.690 . 0 0 "[ . 1 . 2]" 1 980 1 52 LYS HA 1 101 PHE HZ . . 4.580 3.252 2.681 3.616 . 0 0 "[ . 1 . 2]" 1 981 1 52 LYS HB2 1 52 LYS QE . . 4.670 3.739 2.332 4.040 . 0 0 "[ . 1 . 2]" 1 982 1 52 LYS HB2 1 53 ARG H . . 3.940 2.725 2.480 3.016 . 0 0 "[ . 1 . 2]" 1 983 1 52 LYS HB3 1 53 ARG H . . 3.980 3.570 3.284 3.904 . 0 0 "[ . 1 . 2]" 1 984 1 52 LYS HB3 1 101 PHE HZ . . 4.820 4.705 4.302 4.877 0.057 8 0 "[ . 1 . 2]" 1 985 1 52 LYS QD 1 53 ARG H . . 4.500 4.154 3.869 4.434 . 0 0 "[ . 1 . 2]" 1 986 1 52 LYS QD 1 100 ASN HD22 . . 5.160 3.833 3.106 5.062 . 0 0 "[ . 1 . 2]" 1 987 1 52 LYS QD 1 101 PHE QE . . 4.470 2.851 2.244 3.655 . 0 0 "[ . 1 . 2]" 1 988 1 52 LYS QD 1 101 PHE HZ . . 4.540 2.667 1.917 4.238 . 0 0 "[ . 1 . 2]" 1 989 1 52 LYS QE 1 52 LYS HG3 . . 3.820 2.900 2.603 3.468 . 0 0 "[ . 1 . 2]" 1 990 1 52 LYS QE 1 100 ASN HD21 . . 4.030 2.558 1.983 3.420 . 0 0 "[ . 1 . 2]" 1 991 1 52 LYS QE 1 100 ASN HD22 . . 3.920 2.572 1.938 3.671 . 0 0 "[ . 1 . 2]" 1 992 1 52 LYS QE 1 101 PHE HZ . . 3.820 3.655 2.931 3.892 0.072 12 0 "[ . 1 . 2]" 1 993 1 52 LYS HG2 1 101 PHE HZ . . 3.780 3.600 3.080 3.792 0.012 7 0 "[ . 1 . 2]" 1 994 1 52 LYS HG3 1 53 ARG H . . 5.020 4.747 4.482 4.977 . 0 0 "[ . 1 . 2]" 1 995 1 52 LYS HG3 1 101 PHE QE . . 4.770 3.215 2.715 3.470 . 0 0 "[ . 1 . 2]" 1 996 1 52 LYS HG3 1 101 PHE HZ . . 4.060 2.086 1.991 2.412 . 0 0 "[ . 1 . 2]" 1 997 1 53 ARG H 1 53 ARG HB2 . . 3.160 2.061 2.027 2.111 . 0 0 "[ . 1 . 2]" 1 998 1 53 ARG H 1 53 ARG HB3 . . 3.350 3.076 2.944 3.215 . 0 0 "[ . 1 . 2]" 1 999 1 53 ARG H 1 53 ARG QD . . 4.320 4.223 3.966 4.441 0.121 7 0 "[ . 1 . 2]" 1 1000 1 53 ARG H 1 53 ARG HG3 . . 3.950 3.803 3.573 3.977 0.027 7 0 "[ . 1 . 2]" 1 1001 1 53 ARG HA 1 53 ARG QD . . 4.090 3.970 3.779 4.074 . 0 0 "[ . 1 . 2]" 1 1002 1 53 ARG HA 1 53 ARG HG2 . . 2.960 2.688 2.401 2.975 0.015 7 0 "[ . 1 . 2]" 1 1003 1 53 ARG HA 1 53 ARG HG3 . . 3.010 2.344 2.129 2.574 . 0 0 "[ . 1 . 2]" 1 1004 1 53 ARG HA 1 56 ALA MB . . 3.180 2.937 2.780 3.093 . 0 0 "[ . 1 . 2]" 1 1005 1 53 ARG HA 1 57 THR H . . 4.510 4.527 4.260 4.597 0.087 13 0 "[ . 1 . 2]" 1 1006 1 53 ARG HB2 1 53 ARG HE . . 4.980 3.967 3.322 4.388 . 0 0 "[ . 1 . 2]" 1 1007 1 53 ARG HB2 1 54 LEU H . . 4.120 3.255 3.102 3.512 . 0 0 "[ . 1 . 2]" 1 1008 1 53 ARG HB3 1 53 ARG QD . . 3.050 2.482 2.331 2.645 . 0 0 "[ . 1 . 2]" 1 1009 1 53 ARG HB3 1 54 LEU H . . 3.390 2.448 2.278 2.870 . 0 0 "[ . 1 . 2]" 1 1010 1 53 ARG HB3 1 54 LEU HG . . 3.790 2.812 2.663 3.041 . 0 0 "[ . 1 . 2]" 1 1011 1 53 ARG QD 1 54 LEU MD2 . . 4.910 4.471 3.939 4.962 0.052 17 0 "[ . 1 . 2]" 1 1012 1 54 LEU H 1 54 LEU HB2 . . 3.690 2.513 2.446 2.564 . 0 0 "[ . 1 . 2]" 1 1013 1 54 LEU H 1 54 LEU HB3 . . 3.880 3.547 3.536 3.577 . 0 0 "[ . 1 . 2]" 1 1014 1 54 LEU H 1 54 LEU MD1 . . 3.950 3.251 3.051 3.472 . 0 0 "[ . 1 . 2]" 1 1015 1 54 LEU H 1 54 LEU MD2 . . 3.690 3.479 3.299 3.642 . 0 0 "[ . 1 . 2]" 1 1016 1 54 LEU H 1 54 LEU HG . . 3.740 2.099 1.974 2.283 . 0 0 "[ . 1 . 2]" 1 1017 1 54 LEU H 1 55 LYS H . . 4.080 2.557 2.349 2.656 . 0 0 "[ . 1 . 2]" 1 1018 1 54 LEU H 1 55 LYS QB . . 4.480 4.326 4.069 4.580 0.100 2 0 "[ . 1 . 2]" 1 1019 1 54 LEU H 1 56 ALA H . . 4.710 3.968 3.771 4.116 . 0 0 "[ . 1 . 2]" 1 1020 1 54 LEU H 1 56 ALA MB . . 5.110 5.042 4.780 5.303 0.193 19 0 "[ . 1 . 2]" 1 1021 1 54 LEU H 1 57 THR H . . 5.310 4.555 4.340 4.720 . 0 0 "[ . 1 . 2]" 1 1022 1 54 LEU H 1 57 THR MG . . 5.120 4.664 4.383 4.911 . 0 0 "[ . 1 . 2]" 1 1023 1 54 LEU HA 1 54 LEU MD1 . . 3.940 3.943 3.908 3.967 0.027 2 0 "[ . 1 . 2]" 1 1024 1 54 LEU HA 1 54 LEU MD2 . . 2.890 2.437 2.268 2.568 . 0 0 "[ . 1 . 2]" 1 1025 1 54 LEU HA 1 54 LEU HG . . 3.910 2.965 2.877 3.083 . 0 0 "[ . 1 . 2]" 1 1026 1 54 LEU HA 1 56 ALA H . . 3.870 3.708 3.527 3.807 . 0 0 "[ . 1 . 2]" 1 1027 1 54 LEU HA 1 57 THR H . . 4.000 2.887 2.715 3.066 . 0 0 "[ . 1 . 2]" 1 1028 1 54 LEU HA 1 57 THR HB . . 4.490 1.972 1.935 1.997 . 0 0 "[ . 1 . 2]" 1 1029 1 54 LEU HA 1 57 THR MG . . 3.170 2.261 1.948 2.472 . 0 0 "[ . 1 . 2]" 1 1030 1 54 LEU HB2 1 54 LEU MD1 . . 3.420 2.136 2.032 2.235 . 0 0 "[ . 1 . 2]" 1 1031 1 54 LEU HB2 1 54 LEU MD2 . . 3.330 3.178 3.157 3.209 . 0 0 "[ . 1 . 2]" 1 1032 1 54 LEU HB3 1 54 LEU MD1 . . 3.300 2.609 2.529 2.727 . 0 0 "[ . 1 . 2]" 1 1033 1 54 LEU HB3 1 54 LEU MD2 . . 3.670 2.159 2.094 2.264 . 0 0 "[ . 1 . 2]" 1 1034 1 54 LEU HB3 1 55 LYS H . . 4.270 4.150 3.745 4.378 0.108 8 0 "[ . 1 . 2]" 1 1035 1 54 LEU MD1 1 55 LYS H . . 5.280 4.650 4.413 4.926 . 0 0 "[ . 1 . 2]" 1 1036 1 54 LEU MD1 1 121 CYS H . . 4.130 3.217 2.886 3.632 . 0 0 "[ . 1 . 2]" 1 1037 1 54 LEU MD1 1 121 CYS HB2 . . 3.560 2.236 1.908 2.666 . 0 0 "[ . 1 . 2]" 1 1038 1 54 LEU MD1 1 121 CYS HB3 . . 3.450 3.204 2.302 3.555 0.105 16 0 "[ . 1 . 2]" 1 1039 1 54 LEU MD2 1 57 THR H . . 5.330 4.782 4.471 4.972 . 0 0 "[ . 1 . 2]" 1 1040 1 54 LEU MD2 1 57 THR HB . . 4.450 3.387 3.188 3.521 . 0 0 "[ . 1 . 2]" 1 1041 1 54 LEU MD2 1 57 THR MG . . 3.580 2.577 2.220 2.851 . 0 0 "[ . 1 . 2]" 1 1042 1 55 LYS H 1 55 LYS QB . . 3.200 2.157 2.005 2.566 . 0 0 "[ . 1 . 2]" 1 1043 1 55 LYS H 1 55 LYS QD . . 3.900 3.852 2.358 4.508 0.608 9 5 "[ - +** . * 2]" 1 1044 1 55 LYS H 1 55 LYS HG2 . . 3.810 3.832 1.887 4.584 0.774 7 8 "[* **.-+ 1 * * *]" 1 1045 1 55 LYS H 1 56 ALA H . . 3.560 2.407 2.195 2.725 . 0 0 "[ . 1 . 2]" 1 1046 1 55 LYS H 1 56 ALA HA . . 5.460 5.019 4.854 5.281 . 0 0 "[ . 1 . 2]" 1 1047 1 55 LYS H 1 56 ALA MB . . 4.190 3.968 3.794 4.279 0.089 16 0 "[ . 1 . 2]" 1 1048 1 55 LYS H 1 57 THR H . . 4.860 3.649 3.452 3.905 . 0 0 "[ . 1 . 2]" 1 1049 1 55 LYS H 1 57 THR MG . . 4.870 4.654 4.420 4.776 . 0 0 "[ . 1 . 2]" 1 1050 1 55 LYS HA 1 55 LYS QE . . 4.910 4.210 3.607 4.519 . 0 0 "[ . 1 . 2]" 1 1051 1 55 LYS HA 1 55 LYS HG2 . . 3.790 2.673 2.029 3.471 . 0 0 "[ . 1 . 2]" 1 1052 1 55 LYS HA 1 55 LYS HG3 . . 3.390 2.696 1.931 3.761 0.371 12 0 "[ . 1 . 2]" 1 1053 1 55 LYS QB 1 55 LYS QE . . 3.700 3.456 2.895 3.658 . 0 0 "[ . 1 . 2]" 1 1054 1 55 LYS QB 1 56 ALA H . . 3.630 3.203 3.073 3.361 . 0 0 "[ . 1 . 2]" 1 1055 1 55 LYS QB 1 57 THR H . . 4.830 4.660 4.605 4.746 . 0 0 "[ . 1 . 2]" 1 1056 1 55 LYS QD 1 55 LYS HG2 . . 2.700 2.331 2.180 2.563 . 0 0 "[ . 1 . 2]" 1 1057 1 55 LYS QD 1 101 PHE QD . . 4.930 3.990 3.123 4.842 . 0 0 "[ . 1 . 2]" 1 1058 1 55 LYS QD 1 101 PHE QE . . 4.290 2.415 1.808 3.557 . 0 0 "[ . 1 . 2]" 1 1059 1 55 LYS QD 1 101 PHE HZ . . 3.980 3.503 1.994 4.058 0.078 9 0 "[ . 1 . 2]" 1 1060 1 55 LYS QE 1 55 LYS HG2 . . 3.770 2.771 2.248 3.384 . 0 0 "[ . 1 . 2]" 1 1061 1 55 LYS QE 1 101 PHE QD . . 4.220 3.088 2.446 3.425 . 0 0 "[ . 1 . 2]" 1 1062 1 55 LYS QE 1 101 PHE QE . . 4.750 2.317 1.986 2.821 . 0 0 "[ . 1 . 2]" 1 1063 1 55 LYS QE 1 101 PHE HZ . . 4.020 3.795 2.996 3.999 . 0 0 "[ . 1 . 2]" 1 1064 1 55 LYS QE 1 123 MET ME . . 3.510 2.916 2.666 3.142 . 0 0 "[ . 1 . 2]" 1 1065 1 55 LYS HG2 1 56 ALA H . . 5.500 5.150 4.189 5.705 0.205 6 0 "[ . 1 . 2]" 1 1066 1 55 LYS HG3 1 101 PHE QE . . 4.290 3.912 2.017 4.894 0.604 4 1 "[ +. 1 . 2]" 1 1067 1 56 ALA H 1 56 ALA MB . . 2.670 2.201 2.068 2.295 . 0 0 "[ . 1 . 2]" 1 1068 1 56 ALA H 1 57 THR H . . 3.620 2.025 1.901 2.166 . 0 0 "[ . 1 . 2]" 1 1069 1 56 ALA H 1 57 THR HA . . 4.690 4.529 4.387 4.770 0.080 16 0 "[ . 1 . 2]" 1 1070 1 56 ALA H 1 57 THR MG . . 4.250 4.229 3.960 4.351 0.101 16 0 "[ . 1 . 2]" 1 1071 1 56 ALA MB 1 57 THR H . . 3.350 3.245 3.030 3.396 0.046 3 0 "[ . 1 . 2]" 1 1072 1 56 ALA MB 1 58 GLY H . . 4.910 4.509 4.291 4.760 . 0 0 "[ . 1 . 2]" 1 1073 1 57 THR H 1 57 THR HB . . 3.790 2.155 2.073 2.272 . 0 0 "[ . 1 . 2]" 1 1074 1 57 THR H 1 57 THR MG . . 3.020 2.693 2.461 2.817 . 0 0 "[ . 1 . 2]" 1 1075 1 57 THR H 1 58 GLY H . . 3.470 2.501 2.405 2.582 . 0 0 "[ . 1 . 2]" 1 1076 1 57 THR H 1 59 LYS H . . 4.920 4.465 4.201 4.788 . 0 0 "[ . 1 . 2]" 1 1077 1 57 THR HA 1 57 THR MG . . 2.980 3.150 3.097 3.200 0.220 10 0 "[ . 1 . 2]" 1 1078 1 57 THR HA 1 58 GLY H . . 3.610 3.496 3.430 3.571 . 0 0 "[ . 1 . 2]" 1 1079 1 57 THR HB 1 58 GLY H . . 3.850 3.882 3.760 3.944 0.094 14 0 "[ . 1 . 2]" 1 1080 1 57 THR MG 1 58 GLY H . . 3.960 2.489 2.120 2.929 . 0 0 "[ . 1 . 2]" 1 1081 1 57 THR MG 1 59 LYS H . . 3.510 2.399 1.759 2.737 . 0 0 "[ . 1 . 2]" 1 1082 1 57 THR MG 1 59 LYS HB2 . . 4.050 1.889 1.834 2.037 . 0 0 "[ . 1 . 2]" 1 1083 1 57 THR MG 1 59 LYS HB3 . . 3.790 2.894 2.130 3.243 . 0 0 "[ . 1 . 2]" 1 1084 1 57 THR MG 1 59 LYS QE . . 4.430 3.481 2.453 4.248 . 0 0 "[ . 1 . 2]" 1 1085 1 58 GLY H 1 59 LYS HB2 . . 4.960 4.403 4.070 5.038 0.078 4 0 "[ . 1 . 2]" 1 1086 1 59 LYS H 1 59 LYS HB2 . . 3.440 2.677 2.282 3.016 . 0 0 "[ . 1 . 2]" 1 1087 1 59 LYS H 1 59 LYS HB3 . . 3.350 3.041 2.571 3.477 0.127 19 0 "[ . 1 . 2]" 1 1088 1 59 LYS H 1 60 LYS H . . 4.250 3.855 1.908 4.311 0.061 12 0 "[ . 1 . 2]" 1 1089 1 59 LYS HA 1 59 LYS QG . . 3.210 2.108 1.967 2.429 . 0 0 "[ . 1 . 2]" 1 1090 1 59 LYS HB2 1 59 LYS QE . . 4.430 3.292 2.164 3.956 . 0 0 "[ . 1 . 2]" 1 1091 1 59 LYS HB3 1 60 LYS H . . 3.650 2.084 1.925 2.843 . 0 0 "[ . 1 . 2]" 1 1092 1 59 LYS QD 1 60 LYS H . . 4.000 3.123 1.872 4.100 0.100 9 0 "[ . 1 . 2]" 1 1093 1 59 LYS QE 1 59 LYS QG . . 3.250 2.198 2.007 2.905 . 0 0 "[ . 1 . 2]" 1 1094 1 59 LYS QE 1 60 LYS H . . 4.600 4.007 2.678 4.670 0.070 9 0 "[ . 1 . 2]" 1 1095 1 59 LYS QG 1 60 LYS H . . 3.800 2.699 1.971 3.979 0.179 9 0 "[ . 1 . 2]" 1 1096 1 60 LYS H 1 60 LYS HA . . 2.900 2.785 2.213 2.917 0.017 12 0 "[ . 1 . 2]" 1 1097 1 60 LYS H 1 60 LYS QB . . 2.880 3.056 2.623 3.358 0.478 3 0 "[ . 1 . 2]" 1 1098 1 60 LYS H 1 60 LYS QG . . 3.550 2.917 2.384 3.757 0.207 10 0 "[ . 1 . 2]" 1 1099 1 60 LYS HA 1 60 LYS QG . . 3.350 2.843 1.929 3.398 0.048 3 0 "[ . 1 . 2]" 1 1100 1 60 LYS HA 1 61 ALA H . . 2.890 2.545 2.313 2.836 . 0 0 "[ . 1 . 2]" 1 1101 1 60 LYS HA 1 61 ALA MB . . 3.750 3.836 3.800 3.896 0.146 4 0 "[ . 1 . 2]" 1 1102 1 60 LYS QB 1 61 ALA H . . 3.720 2.444 2.055 2.886 . 0 0 "[ . 1 . 2]" 1 1103 1 60 LYS QG 1 61 ALA H . . 4.240 3.361 2.215 4.073 . 0 0 "[ . 1 . 2]" 1 1104 1 61 ALA H 1 61 ALA MB . . 2.880 2.276 2.016 2.394 . 0 0 "[ . 1 . 2]" 1 1105 1 61 ALA H 1 62 VAL H . . 4.540 4.521 4.461 4.621 0.081 3 0 "[ . 1 . 2]" 1 1106 1 61 ALA HA 1 62 VAL H . . 3.060 2.327 2.201 2.559 . 0 0 "[ . 1 . 2]" 1 1107 1 61 ALA HA 1 62 VAL HB . . 4.580 4.353 4.285 4.453 . 0 0 "[ . 1 . 2]" 1 1108 1 61 ALA MB 1 62 VAL H . . 3.150 2.908 2.501 3.230 0.080 16 0 "[ . 1 . 2]" 1 1109 1 61 ALA MB 1 123 MET H . . 4.990 3.881 3.619 4.425 . 0 0 "[ . 1 . 2]" 1 1110 1 61 ALA MB 1 123 MET HB2 . . 4.770 3.037 2.768 3.769 . 0 0 "[ . 1 . 2]" 1 1111 1 61 ALA MB 1 123 MET HB3 . . 4.820 3.884 3.508 4.866 0.046 18 0 "[ . 1 . 2]" 1 1112 1 61 ALA MB 1 123 MET HG2 . . 4.900 4.943 4.760 5.008 0.108 20 0 "[ . 1 . 2]" 1 1113 1 61 ALA MB 1 123 MET HG3 . . 4.680 3.903 3.697 4.653 . 0 0 "[ . 1 . 2]" 1 1114 1 62 VAL H 1 62 VAL HB . . 3.360 2.298 2.182 2.509 . 0 0 "[ . 1 . 2]" 1 1115 1 62 VAL H 1 62 VAL QG . . 2.980 2.764 2.641 2.938 . 0 0 "[ . 1 . 2]" 1 1116 1 62 VAL H 1 63 LYS H . . 4.840 4.557 4.467 4.615 . 0 0 "[ . 1 . 2]" 1 1117 1 62 VAL HA 1 62 VAL QG . . 2.770 2.108 2.040 2.158 . 0 0 "[ . 1 . 2]" 1 1118 1 62 VAL HA 1 63 LYS H . . 2.940 2.393 2.252 2.440 . 0 0 "[ . 1 . 2]" 1 1119 1 62 VAL HA 1 63 LYS HB2 . . 4.430 4.465 4.340 4.530 0.100 20 0 "[ . 1 . 2]" 1 1120 1 62 VAL HA 1 63 LYS HG2 . . 4.550 4.306 4.156 4.555 0.005 13 0 "[ . 1 . 2]" 1 1121 1 62 VAL HB 1 63 LYS H . . 4.120 3.981 3.890 4.198 0.078 1 0 "[ . 1 . 2]" 1 1122 1 62 VAL HB 1 84 ILE MD . . 4.320 4.234 3.969 4.364 0.044 17 0 "[ . 1 . 2]" 1 1123 1 62 VAL QG 1 63 LYS H . . 3.190 1.947 1.884 2.166 . 0 0 "[ . 1 . 2]" 1 1124 1 62 VAL QG 1 63 LYS HA . . 4.070 3.607 3.492 3.774 . 0 0 "[ . 1 . 2]" 1 1125 1 62 VAL QG 1 63 LYS HB2 . . 4.050 3.636 3.514 3.771 . 0 0 "[ . 1 . 2]" 1 1126 1 62 VAL QG 1 63 LYS HB3 . . 4.470 4.490 4.386 4.650 0.180 1 0 "[ . 1 . 2]" 1 1127 1 62 VAL QG 1 64 ALA H . . 4.630 3.661 3.388 3.901 . 0 0 "[ . 1 . 2]" 1 1128 1 62 VAL QG 1 64 ALA HA . . 4.290 4.107 3.961 4.257 . 0 0 "[ . 1 . 2]" 1 1129 1 63 LYS H 1 63 LYS HB2 . . 3.500 2.305 2.245 2.362 . 0 0 "[ . 1 . 2]" 1 1130 1 63 LYS H 1 63 LYS HB3 . . 3.300 3.547 3.485 3.589 0.289 2 0 "[ . 1 . 2]" 1 1131 1 63 LYS H 1 63 LYS HE2 . . 5.450 5.183 4.638 5.921 0.471 16 0 "[ . 1 . 2]" 1 1132 1 63 LYS H 1 63 LYS HG2 . . 3.690 3.323 3.167 3.508 . 0 0 "[ . 1 . 2]" 1 1133 1 63 LYS H 1 63 LYS HG3 . . 3.920 3.367 3.038 3.854 . 0 0 "[ . 1 . 2]" 1 1134 1 63 LYS H 1 64 ALA H . . 4.740 4.243 4.100 4.353 . 0 0 "[ . 1 . 2]" 1 1135 1 63 LYS H 1 84 ILE MD . . 5.490 5.423 5.385 5.466 . 0 0 "[ . 1 . 2]" 1 1136 1 63 LYS HA 1 63 LYS HG2 . . 4.040 2.187 2.096 2.271 . 0 0 "[ . 1 . 2]" 1 1137 1 63 LYS HA 1 63 LYS HG3 . . 3.700 3.456 3.363 3.536 . 0 0 "[ . 1 . 2]" 1 1138 1 63 LYS HA 1 64 ALA H . . 3.290 2.207 2.186 2.246 . 0 0 "[ . 1 . 2]" 1 1139 1 63 LYS HB2 1 63 LYS HE2 . . 4.500 4.063 3.595 5.025 0.525 16 1 "[ . 1 .+ 2]" 1 1140 1 63 LYS HB2 1 63 LYS HE3 . . 4.640 4.722 4.566 5.004 0.364 4 0 "[ . 1 . 2]" 1 1141 1 63 LYS HB2 1 64 ALA H . . 4.610 4.615 4.579 4.659 0.049 5 0 "[ . 1 . 2]" 1 1142 1 63 LYS HB3 1 63 LYS HE2 . . 4.560 2.706 2.057 4.045 . 0 0 "[ . 1 . 2]" 1 1143 1 63 LYS HB3 1 64 ALA H . . 4.300 3.916 3.819 4.053 . 0 0 "[ . 1 . 2]" 1 1144 1 63 LYS HE2 1 63 LYS HG2 . . 3.850 2.757 2.415 3.001 . 0 0 "[ . 1 . 2]" 1 1145 1 63 LYS HE2 1 125 VAL MG1 . . 3.990 3.624 2.996 4.066 0.076 15 0 "[ . 1 . 2]" 1 1146 1 63 LYS HE2 1 125 VAL MG2 . . 3.690 2.578 1.943 3.056 . 0 0 "[ . 1 . 2]" 1 1147 1 63 LYS HE3 1 63 LYS HG2 . . 3.000 2.444 2.044 2.878 . 0 0 "[ . 1 . 2]" 1 1148 1 63 LYS HE3 1 125 VAL HA . . 4.590 4.723 4.650 5.159 0.569 5 2 "[ + 1 .- 2]" 1 1149 1 63 LYS HE3 1 125 VAL MG1 . . 4.510 3.364 2.854 4.072 . 0 0 "[ . 1 . 2]" 1 1150 1 63 LYS HE3 1 125 VAL MG2 . . 3.450 2.433 2.043 3.082 . 0 0 "[ . 1 . 2]" 1 1151 1 63 LYS HG2 1 64 ALA H . . 4.430 4.368 4.198 4.464 0.034 5 0 "[ . 1 . 2]" 1 1152 1 64 ALA H 1 64 ALA MB . . 3.300 2.580 2.492 2.606 . 0 0 "[ . 1 . 2]" 1 1153 1 64 ALA H 1 65 VAL H . . 5.320 4.398 4.390 4.424 . 0 0 "[ . 1 . 2]" 1 1154 1 64 ALA H 1 75 VAL MG1 . . 5.500 5.070 4.944 5.190 . 0 0 "[ . 1 . 2]" 1 1155 1 64 ALA H 1 78 GLU H . . 5.500 4.844 4.773 4.921 . 0 0 "[ . 1 . 2]" 1 1156 1 64 ALA HA 1 65 VAL H . . 3.440 2.516 2.509 2.529 . 0 0 "[ . 1 . 2]" 1 1157 1 64 ALA HA 1 65 VAL HB . . 4.630 4.608 4.531 4.751 0.121 17 0 "[ . 1 . 2]" 1 1158 1 64 ALA HA 1 65 VAL MG2 . . 4.040 3.360 3.144 3.464 . 0 0 "[ . 1 . 2]" 1 1159 1 64 ALA HA 1 75 VAL MG1 . . 4.930 5.004 4.964 5.041 0.111 20 0 "[ . 1 . 2]" 1 1160 1 64 ALA HA 1 77 ASP HA . . 3.770 3.300 3.108 3.408 . 0 0 "[ . 1 . 2]" 1 1161 1 64 ALA HA 1 78 GLU H . . 3.460 2.001 1.937 2.089 . 0 0 "[ . 1 . 2]" 1 1162 1 64 ALA HA 1 78 GLU HA . . 4.280 4.066 3.995 4.202 . 0 0 "[ . 1 . 2]" 1 1163 1 64 ALA HA 1 78 GLU HB2 . . 4.160 3.010 2.906 4.373 0.213 17 0 "[ . 1 . 2]" 1 1164 1 64 ALA HA 1 78 GLU HB3 . . 4.030 4.240 3.094 4.322 0.292 20 0 "[ . 1 . 2]" 1 1165 1 64 ALA HA 1 78 GLU QG . . 4.090 1.981 1.967 2.088 . 0 0 "[ . 1 . 2]" 1 1166 1 64 ALA HA 1 84 ILE MD . . 4.300 3.806 3.711 3.871 . 0 0 "[ . 1 . 2]" 1 1167 1 64 ALA MB 1 65 VAL H . . 2.980 2.504 2.483 2.516 . 0 0 "[ . 1 . 2]" 1 1168 1 64 ALA MB 1 65 VAL HA . . 4.760 4.098 4.082 4.121 . 0 0 "[ . 1 . 2]" 1 1169 1 64 ALA MB 1 65 VAL HB . . 4.680 4.494 4.453 4.564 . 0 0 "[ . 1 . 2]" 1 1170 1 64 ALA MB 1 75 VAL HA . . 4.110 3.955 3.871 4.077 . 0 0 "[ . 1 . 2]" 1 1171 1 64 ALA MB 1 75 VAL MG1 . . 2.840 2.502 2.457 2.546 . 0 0 "[ . 1 . 2]" 1 1172 1 64 ALA MB 1 76 VAL H . . 3.750 3.766 3.677 3.824 0.074 12 0 "[ . 1 . 2]" 1 1173 1 64 ALA MB 1 77 ASP HA . . 3.500 2.014 1.951 2.073 . 0 0 "[ . 1 . 2]" 1 1174 1 64 ALA MB 1 78 GLU H . . 3.460 2.655 2.577 2.772 . 0 0 "[ . 1 . 2]" 1 1175 1 64 ALA MB 1 78 GLU QG . . 3.920 3.534 3.303 3.565 . 0 0 "[ . 1 . 2]" 1 1176 1 64 ALA MB 1 84 ILE MD . . 3.120 1.878 1.816 1.922 . 0 0 "[ . 1 . 2]" 1 1177 1 65 VAL H 1 65 VAL HB . . 3.590 2.388 2.342 2.496 . 0 0 "[ . 1 . 2]" 1 1178 1 65 VAL H 1 65 VAL MG1 . . 3.990 3.729 3.692 3.786 . 0 0 "[ . 1 . 2]" 1 1179 1 65 VAL H 1 65 VAL MG2 . . 3.330 2.634 2.393 2.741 . 0 0 "[ . 1 . 2]" 1 1180 1 65 VAL H 1 66 LEU H . . 4.670 4.444 4.390 4.510 . 0 0 "[ . 1 . 2]" 1 1181 1 65 VAL H 1 67 TRP HD1 . . 4.840 4.583 4.495 4.783 . 0 0 "[ . 1 . 2]" 1 1182 1 65 VAL H 1 67 TRP HE1 . . 5.350 4.109 3.945 4.455 . 0 0 "[ . 1 . 2]" 1 1183 1 65 VAL H 1 75 VAL HA . . 5.030 5.019 4.992 5.039 0.009 8 0 "[ . 1 . 2]" 1 1184 1 65 VAL H 1 75 VAL MG1 . . 4.700 4.495 4.357 4.572 . 0 0 "[ . 1 . 2]" 1 1185 1 65 VAL H 1 76 VAL H . . 3.990 3.735 3.619 3.828 . 0 0 "[ . 1 . 2]" 1 1186 1 65 VAL H 1 78 GLU H . . 4.700 3.164 2.881 3.267 . 0 0 "[ . 1 . 2]" 1 1187 1 65 VAL H 1 78 GLU QG . . 4.670 2.904 2.772 3.938 . 0 0 "[ . 1 . 2]" 1 1188 1 65 VAL HA 1 65 VAL MG1 . . 3.330 2.444 2.283 2.545 . 0 0 "[ . 1 . 2]" 1 1189 1 65 VAL HA 1 65 VAL MG2 . . 3.200 2.396 2.357 2.485 . 0 0 "[ . 1 . 2]" 1 1190 1 65 VAL HA 1 66 LEU H . . 3.550 2.195 2.183 2.228 . 0 0 "[ . 1 . 2]" 1 1191 1 65 VAL HA 1 66 LEU HB2 . . 4.940 4.709 4.637 4.914 . 0 0 "[ . 1 . 2]" 1 1192 1 65 VAL HB 1 66 LEU H . . 5.010 4.340 4.246 4.423 . 0 0 "[ . 1 . 2]" 1 1193 1 65 VAL HB 1 67 TRP HD1 . . 4.110 3.661 3.277 3.974 . 0 0 "[ . 1 . 2]" 1 1194 1 65 VAL HB 1 67 TRP HE1 . . 3.740 2.293 2.140 2.459 . 0 0 "[ . 1 . 2]" 1 1195 1 65 VAL HB 1 67 TRP HZ2 . . 4.930 4.342 4.093 4.754 . 0 0 "[ . 1 . 2]" 1 1196 1 65 VAL HB 1 76 VAL H . . 4.400 4.161 4.018 4.320 . 0 0 "[ . 1 . 2]" 1 1197 1 65 VAL MG1 1 66 LEU H . . 3.470 2.631 2.342 2.929 . 0 0 "[ . 1 . 2]" 1 1198 1 65 VAL MG1 1 67 TRP HD1 . . 3.720 3.087 2.760 3.557 . 0 0 "[ . 1 . 2]" 1 1199 1 65 VAL MG1 1 67 TRP HE1 . . 3.400 2.476 2.246 2.959 . 0 0 "[ . 1 . 2]" 1 1200 1 65 VAL MG1 1 67 TRP HZ2 . . 4.050 3.455 3.108 3.880 . 0 0 "[ . 1 . 2]" 1 1201 1 65 VAL MG2 1 66 LEU H . . 4.020 4.052 3.944 4.194 0.174 17 0 "[ . 1 . 2]" 1 1202 1 65 VAL MG2 1 67 TRP HE1 . . 4.040 3.715 3.530 3.922 . 0 0 "[ . 1 . 2]" 1 1203 1 65 VAL MG2 1 78 GLU H . . 4.290 3.920 3.295 4.066 . 0 0 "[ . 1 . 2]" 1 1204 1 65 VAL MG2 1 78 GLU HA . . 3.640 3.493 3.048 3.624 . 0 0 "[ . 1 . 2]" 1 1205 1 65 VAL MG2 1 78 GLU HB2 . . 4.190 4.179 3.583 4.260 0.070 12 0 "[ . 1 . 2]" 1 1206 1 65 VAL MG2 1 78 GLU HB3 . . 4.160 4.049 2.166 4.221 0.061 8 0 "[ . 1 . 2]" 1 1207 1 65 VAL MG2 1 78 GLU QG . . 3.290 1.917 1.787 3.354 0.064 17 0 "[ . 1 . 2]" 1 1208 1 66 LEU H 1 66 LEU HB2 . . 4.050 2.943 2.885 3.082 . 0 0 "[ . 1 . 2]" 1 1209 1 66 LEU H 1 66 LEU MD1 . . 4.980 4.179 4.154 4.218 . 0 0 "[ . 1 . 2]" 1 1210 1 66 LEU H 1 66 LEU MD2 . . 4.420 4.250 4.129 4.291 . 0 0 "[ . 1 . 2]" 1 1211 1 66 LEU H 1 66 LEU HG . . 4.760 4.136 3.921 4.208 . 0 0 "[ . 1 . 2]" 1 1212 1 66 LEU H 1 67 TRP H . . 5.470 4.432 4.396 4.524 . 0 0 "[ . 1 . 2]" 1 1213 1 66 LEU HA 1 66 LEU MD1 . . 3.180 2.051 1.970 2.280 . 0 0 "[ . 1 . 2]" 1 1214 1 66 LEU HA 1 66 LEU MD2 . . 4.190 3.884 3.849 3.974 . 0 0 "[ . 1 . 2]" 1 1215 1 66 LEU HA 1 67 TRP H . . 3.260 2.178 2.176 2.190 . 0 0 "[ . 1 . 2]" 1 1216 1 66 LEU HA 1 67 TRP HD1 . . 4.170 3.371 3.267 3.459 . 0 0 "[ . 1 . 2]" 1 1217 1 66 LEU HA 1 68 VAL MG2 . . 4.940 4.795 4.702 4.939 . 0 0 "[ . 1 . 2]" 1 1218 1 66 LEU HB2 1 66 LEU MD1 . . 3.570 2.539 2.481 2.570 . 0 0 "[ . 1 . 2]" 1 1219 1 66 LEU HB2 1 66 LEU MD2 . . 3.420 2.342 2.229 2.410 . 0 0 "[ . 1 . 2]" 1 1220 1 66 LEU HB2 1 132 LEU MD2 . . 4.410 4.362 4.115 4.615 0.205 19 0 "[ . 1 . 2]" 1 1221 1 66 LEU HB3 1 66 LEU MD2 . . 3.420 2.384 2.298 2.451 . 0 0 "[ . 1 . 2]" 1 1222 1 66 LEU HB3 1 67 TRP H . . 4.940 4.526 4.485 4.552 . 0 0 "[ . 1 . 2]" 1 1223 1 66 LEU MD1 1 67 TRP H . . 3.450 2.191 1.976 2.287 . 0 0 "[ . 1 . 2]" 1 1224 1 66 LEU MD1 1 67 TRP HB2 . . 4.920 4.090 3.991 4.158 . 0 0 "[ . 1 . 2]" 1 1225 1 66 LEU MD1 1 67 TRP HD1 . . 4.240 4.325 4.285 4.373 0.133 12 0 "[ . 1 . 2]" 1 1226 1 66 LEU MD1 1 73 LEU HA . . 4.190 3.749 3.617 3.876 . 0 0 "[ . 1 . 2]" 1 1227 1 66 LEU MD1 1 73 LEU HB2 . . 3.800 3.240 3.086 3.415 . 0 0 "[ . 1 . 2]" 1 1228 1 66 LEU MD1 1 74 ARG H . . 3.870 2.720 2.524 2.804 . 0 0 "[ . 1 . 2]" 1 1229 1 66 LEU MD1 1 74 ARG QB . . 4.440 4.474 4.255 4.528 0.088 6 0 "[ . 1 . 2]" 1 1230 1 66 LEU MD1 1 105 PHE QE . . 4.490 4.036 3.616 4.334 . 0 0 "[ . 1 . 2]" 1 1231 1 66 LEU MD1 1 122 PHE QE . . 3.850 3.278 2.953 3.778 . 0 0 "[ . 1 . 2]" 1 1232 1 66 LEU MD1 1 122 PHE HZ . . 3.990 4.019 3.902 4.044 0.054 7 0 "[ . 1 . 2]" 1 1233 1 66 LEU MD2 1 67 TRP H . . 4.760 4.833 4.687 4.894 0.134 8 0 "[ . 1 . 2]" 1 1234 1 66 LEU MD2 1 68 VAL MG2 . . 3.380 3.232 3.005 3.375 . 0 0 "[ . 1 . 2]" 1 1235 1 66 LEU MD2 1 105 PHE QE . . 3.690 2.565 2.011 3.213 . 0 0 "[ . 1 . 2]" 1 1236 1 66 LEU MD2 1 132 LEU HA . . 4.310 4.316 4.176 4.397 0.087 18 0 "[ . 1 . 2]" 1 1237 1 66 LEU HG 1 67 TRP H . . 4.790 3.889 3.728 4.009 . 0 0 "[ . 1 . 2]" 1 1238 1 66 LEU HG 1 132 LEU MD2 . . 4.670 4.137 3.917 4.441 . 0 0 "[ . 1 . 2]" 1 1239 1 67 TRP H 1 67 TRP HB2 . . 4.160 2.438 2.377 2.518 . 0 0 "[ . 1 . 2]" 1 1240 1 67 TRP H 1 67 TRP HD1 . . 4.330 2.513 2.375 2.705 . 0 0 "[ . 1 . 2]" 1 1241 1 67 TRP H 1 67 TRP HE3 . . 5.500 5.587 5.557 5.650 0.150 17 0 "[ . 1 . 2]" 1 1242 1 67 TRP H 1 68 VAL H . . 5.340 4.555 4.502 4.572 . 0 0 "[ . 1 . 2]" 1 1243 1 67 TRP H 1 73 LEU HA . . 5.410 4.865 4.548 5.114 . 0 0 "[ . 1 . 2]" 1 1244 1 67 TRP H 1 74 ARG H . . 4.320 2.825 2.634 2.941 . 0 0 "[ . 1 . 2]" 1 1245 1 67 TRP H 1 74 ARG QB . . 4.740 3.559 3.423 3.623 . 0 0 "[ . 1 . 2]" 1 1246 1 67 TRP H 1 75 VAL MG2 . . 4.490 4.191 3.935 4.374 . 0 0 "[ . 1 . 2]" 1 1247 1 67 TRP HB2 1 74 ARG H . . 4.520 3.060 2.952 3.216 . 0 0 "[ . 1 . 2]" 1 1248 1 67 TRP HB2 1 74 ARG QB . . 3.910 1.944 1.914 1.973 . 0 0 "[ . 1 . 2]" 1 1249 1 67 TRP HB2 1 76 VAL MG2 . . 4.290 3.895 3.692 4.013 . 0 0 "[ . 1 . 2]" 1 1250 1 67 TRP HB3 1 67 TRP HE3 . . 3.890 2.362 2.336 2.395 . 0 0 "[ . 1 . 2]" 1 1251 1 67 TRP HB3 1 68 VAL H . . 4.550 2.934 2.712 3.031 . 0 0 "[ . 1 . 2]" 1 1252 1 67 TRP HB3 1 74 ARG H . . 4.640 4.352 4.183 4.494 . 0 0 "[ . 1 . 2]" 1 1253 1 67 TRP HB3 1 74 ARG QB . . 4.150 3.108 2.925 3.292 . 0 0 "[ . 1 . 2]" 1 1254 1 67 TRP HB3 1 74 ARG QG . . 4.580 4.694 4.641 4.724 0.144 13 0 "[ . 1 . 2]" 1 1255 1 67 TRP HD1 1 74 ARG H . . 5.070 4.778 4.554 5.121 0.051 17 0 "[ . 1 . 2]" 1 1256 1 67 TRP HD1 1 74 ARG QB . . 4.050 3.722 3.465 4.027 . 0 0 "[ . 1 . 2]" 1 1257 1 67 TRP HD1 1 76 VAL H . . 4.440 2.438 2.312 2.731 . 0 0 "[ . 1 . 2]" 1 1258 1 67 TRP HD1 1 76 VAL HB . . 4.020 2.392 2.287 2.491 . 0 0 "[ . 1 . 2]" 1 1259 1 67 TRP HD1 1 76 VAL MG1 . . 3.990 4.004 3.938 4.046 0.056 2 0 "[ . 1 . 2]" 1 1260 1 67 TRP HD1 1 76 VAL MG2 . . 3.100 2.928 2.754 3.175 0.075 17 0 "[ . 1 . 2]" 1 1261 1 67 TRP HE1 1 76 VAL H . . 5.330 3.833 3.704 4.333 . 0 0 "[ . 1 . 2]" 1 1262 1 67 TRP HE1 1 76 VAL HB . . 4.170 2.041 1.943 2.608 . 0 0 "[ . 1 . 2]" 1 1263 1 67 TRP HE1 1 76 VAL MG1 . . 4.210 2.583 2.489 2.896 . 0 0 "[ . 1 . 2]" 1 1264 1 67 TRP HE1 1 76 VAL MG2 . . 3.350 2.743 2.521 3.270 . 0 0 "[ . 1 . 2]" 1 1265 1 67 TRP HE3 1 68 VAL H . . 5.280 3.982 3.829 4.124 . 0 0 "[ . 1 . 2]" 1 1266 1 67 TRP HZ2 1 76 VAL MG2 . . 4.650 4.081 3.937 4.539 . 0 0 "[ . 1 . 2]" 1 1267 1 68 VAL H 1 68 VAL HB . . 3.870 2.770 2.640 2.862 . 0 0 "[ . 1 . 2]" 1 1268 1 68 VAL H 1 68 VAL MG1 . . 4.240 3.901 3.837 3.940 . 0 0 "[ . 1 . 2]" 1 1269 1 68 VAL H 1 68 VAL MG2 . . 3.670 2.734 2.555 2.918 . 0 0 "[ . 1 . 2]" 1 1270 1 68 VAL H 1 69 SER H . . 5.440 4.263 4.171 4.336 . 0 0 "[ . 1 . 2]" 1 1271 1 68 VAL H 1 69 SER HA . . 5.500 4.808 4.728 4.863 . 0 0 "[ . 1 . 2]" 1 1272 1 68 VAL HA 1 68 VAL MG1 . . 3.250 2.259 2.148 2.415 . 0 0 "[ . 1 . 2]" 1 1273 1 68 VAL HA 1 68 VAL MG2 . . 3.460 2.438 2.299 2.551 . 0 0 "[ . 1 . 2]" 1 1274 1 68 VAL HA 1 69 SER H . . 3.350 2.191 2.183 2.207 . 0 0 "[ . 1 . 2]" 1 1275 1 68 VAL HA 1 73 LEU HA . . 4.120 2.376 2.045 2.541 . 0 0 "[ . 1 . 2]" 1 1276 1 68 VAL HA 1 73 LEU HB3 . . 3.550 3.404 3.259 3.553 0.003 7 0 "[ . 1 . 2]" 1 1277 1 68 VAL HA 1 73 LEU QD . . 3.290 2.284 2.094 2.447 . 0 0 "[ . 1 . 2]" 1 1278 1 68 VAL HA 1 74 ARG H . . 4.950 4.005 3.596 4.223 . 0 0 "[ . 1 . 2]" 1 1279 1 68 VAL HA 1 139 ALA MB . . 4.600 4.253 4.082 4.491 . 0 0 "[ . 1 . 2]" 1 1280 1 68 VAL HB 1 73 LEU QD . . 4.020 4.029 3.735 4.095 0.075 20 0 "[ . 1 . 2]" 1 1281 1 68 VAL HB 1 139 ALA MB . . 4.590 4.398 4.109 4.600 0.010 8 0 "[ . 1 . 2]" 1 1282 1 68 VAL MG1 1 69 SER H . . 3.530 2.722 2.387 2.937 . 0 0 "[ . 1 . 2]" 1 1283 1 68 VAL MG1 1 69 SER HA . . 3.870 3.793 3.522 3.939 0.069 5 0 "[ . 1 . 2]" 1 1284 1 68 VAL MG1 1 135 ALA H . . 4.910 4.603 4.326 4.754 . 0 0 "[ . 1 . 2]" 1 1285 1 68 VAL MG1 1 135 ALA MB . . 3.200 2.192 1.809 2.531 . 0 0 "[ . 1 . 2]" 1 1286 1 68 VAL MG1 1 139 ALA H . . 3.490 3.055 2.729 3.351 . 0 0 "[ . 1 . 2]" 1 1287 1 68 VAL MG2 1 135 ALA MB . . 3.370 2.017 1.734 2.418 . 0 0 "[ . 1 . 2]" 1 1288 1 68 VAL MG2 1 136 VAL HA . . 4.190 3.825 3.332 4.273 0.083 8 0 "[ . 1 . 2]" 1 1289 1 69 SER H 1 72 GLY H . . 3.920 3.183 3.068 3.310 . 0 0 "[ . 1 . 2]" 1 1290 1 69 SER H 1 73 LEU QD . . 3.680 3.221 3.044 3.476 . 0 0 "[ . 1 . 2]" 1 1291 1 69 SER H 1 139 ALA MB . . 4.390 3.233 2.974 3.450 . 0 0 "[ . 1 . 2]" 1 1292 1 69 SER HA 1 70 ALA H . . 3.510 2.475 2.404 2.533 . 0 0 "[ . 1 . 2]" 1 1293 1 69 SER HA 1 70 ALA MB . . 4.140 4.127 4.081 4.167 0.027 17 0 "[ . 1 . 2]" 1 1294 1 69 SER HA 1 71 ASP H . . 4.710 4.064 3.888 4.247 . 0 0 "[ . 1 . 2]" 1 1295 1 69 SER HA 1 72 GLY H . . 5.210 4.373 4.315 4.482 . 0 0 "[ . 1 . 2]" 1 1296 1 69 SER HA 1 139 ALA MB . . 4.100 3.192 2.912 3.587 . 0 0 "[ . 1 . 2]" 1 1297 1 69 SER HB2 1 70 ALA H . . 3.580 3.641 3.521 3.756 0.176 15 0 "[ . 1 . 2]" 1 1298 1 69 SER HB2 1 70 ALA MB . . 5.000 4.810 4.673 4.916 . 0 0 "[ . 1 . 2]" 1 1299 1 69 SER HB2 1 71 ASP H . . 4.250 2.782 2.564 3.027 . 0 0 "[ . 1 . 2]" 1 1300 1 69 SER HB2 1 72 GLY H . . 4.490 3.175 3.000 3.430 . 0 0 "[ . 1 . 2]" 1 1301 1 69 SER HB3 1 70 ALA H . . 3.650 2.549 2.407 2.730 . 0 0 "[ . 1 . 2]" 1 1302 1 69 SER HB3 1 70 ALA MB . . 4.610 3.957 3.824 4.115 . 0 0 "[ . 1 . 2]" 1 1303 1 69 SER HB3 1 71 ASP H . . 4.210 2.683 2.526 2.885 . 0 0 "[ . 1 . 2]" 1 1304 1 69 SER HB3 1 72 GLY H . . 4.760 4.075 3.904 4.319 . 0 0 "[ . 1 . 2]" 1 1305 1 70 ALA H 1 70 ALA MB . . 2.930 2.105 2.079 2.127 . 0 0 "[ . 1 . 2]" 1 1306 1 70 ALA H 1 71 ASP H . . 4.030 2.700 2.666 2.753 . 0 0 "[ . 1 . 2]" 1 1307 1 70 ALA H 1 72 GLY H . . 4.720 3.976 3.943 4.030 . 0 0 "[ . 1 . 2]" 1 1308 1 70 ALA HA 1 72 GLY H . . 4.220 3.516 3.392 3.651 . 0 0 "[ . 1 . 2]" 1 1309 1 70 ALA HA 1 89 ILE MD . . 4.310 4.159 3.752 4.387 0.077 3 0 "[ . 1 . 2]" 1 1310 1 70 ALA HA 1 89 ILE MG . . 4.670 3.860 3.638 4.164 . 0 0 "[ . 1 . 2]" 1 1311 1 70 ALA HA 1 139 ALA HA . . 3.950 2.665 2.161 3.169 . 0 0 "[ . 1 . 2]" 1 1312 1 70 ALA HA 1 139 ALA MB . . 3.430 2.117 1.965 2.326 . 0 0 "[ . 1 . 2]" 1 1313 1 70 ALA HA 1 143 CYS HB2 . . 4.600 3.198 3.008 3.381 . 0 0 "[ . 1 . 2]" 1 1314 1 70 ALA MB 1 71 ASP H . . 3.570 2.887 2.706 3.011 . 0 0 "[ . 1 . 2]" 1 1315 1 70 ALA MB 1 72 GLY H . . 4.300 4.231 4.201 4.257 . 0 0 "[ . 1 . 2]" 1 1316 1 70 ALA MB 1 143 CYS H . . 4.390 3.127 2.684 3.471 . 0 0 "[ . 1 . 2]" 1 1317 1 70 ALA MB 1 143 CYS HA . . 3.830 3.110 2.817 3.295 . 0 0 "[ . 1 . 2]" 1 1318 1 70 ALA MB 1 143 CYS HB2 . . 3.750 3.022 2.757 3.194 . 0 0 "[ . 1 . 2]" 1 1319 1 70 ALA MB 1 143 CYS HB3 . . 4.380 4.425 4.170 4.478 0.098 12 0 "[ . 1 . 2]" 1 1320 1 71 ASP H 1 71 ASP HB2 . . 3.790 2.207 2.037 2.730 . 0 0 "[ . 1 . 2]" 1 1321 1 71 ASP H 1 72 GLY H . . 3.250 2.494 2.424 2.571 . 0 0 "[ . 1 . 2]" 1 1322 1 71 ASP HB2 1 72 GLY H . . 4.540 3.654 3.162 4.343 . 0 0 "[ . 1 . 2]" 1 1323 1 71 ASP HB3 1 72 GLY H . . 4.260 3.727 3.256 4.178 . 0 0 "[ . 1 . 2]" 1 1324 1 72 GLY H 1 73 LEU H . . 4.990 4.363 4.212 4.472 . 0 0 "[ . 1 . 2]" 1 1325 1 72 GLY H 1 89 ILE HA . . 5.390 5.228 4.939 5.319 . 0 0 "[ . 1 . 2]" 1 1326 1 72 GLY H 1 89 ILE HB . . 4.460 3.098 2.793 3.289 . 0 0 "[ . 1 . 2]" 1 1327 1 72 GLY H 1 89 ILE MD . . 4.120 3.573 3.182 3.868 . 0 0 "[ . 1 . 2]" 1 1328 1 72 GLY H 1 89 ILE MG . . 4.650 4.116 3.869 4.366 . 0 0 "[ . 1 . 2]" 1 1329 1 72 GLY HA2 1 73 LEU QD . . 4.660 3.356 3.206 3.617 . 0 0 "[ . 1 . 2]" 1 1330 1 72 GLY HA2 1 89 ILE HB . . 3.760 1.989 1.976 2.022 . 0 0 "[ . 1 . 2]" 1 1331 1 72 GLY HA2 1 89 ILE MD . . 4.080 2.055 1.950 2.391 . 0 0 "[ . 1 . 2]" 1 1332 1 72 GLY HA3 1 73 LEU QD . . 4.560 4.037 3.882 4.151 . 0 0 "[ . 1 . 2]" 1 1333 1 72 GLY HA3 1 73 LEU HG . . 4.460 3.587 3.403 3.873 . 0 0 "[ . 1 . 2]" 1 1334 1 72 GLY HA3 1 89 ILE H . . 4.720 2.137 1.943 2.294 . 0 0 "[ . 1 . 2]" 1 1335 1 72 GLY HA3 1 89 ILE HB . . 3.710 3.234 3.133 3.334 . 0 0 "[ . 1 . 2]" 1 1336 1 72 GLY HA3 1 89 ILE MD . . 3.770 3.567 3.379 3.887 0.117 13 0 "[ . 1 . 2]" 1 1337 1 72 GLY HA3 1 89 ILE MG . . 4.340 4.348 4.300 4.446 0.106 16 0 "[ . 1 . 2]" 1 1338 1 73 LEU H 1 73 LEU HB2 . . 4.130 2.954 2.857 3.051 . 0 0 "[ . 1 . 2]" 1 1339 1 73 LEU H 1 73 LEU QD . . 4.270 3.241 3.089 3.348 . 0 0 "[ . 1 . 2]" 1 1340 1 73 LEU H 1 73 LEU HG . . 3.970 2.407 2.193 2.573 . 0 0 "[ . 1 . 2]" 1 1341 1 73 LEU H 1 87 GLN H . . 4.060 3.448 3.250 3.663 . 0 0 "[ . 1 . 2]" 1 1342 1 73 LEU H 1 87 GLN HB3 . . 4.690 2.921 2.375 3.165 . 0 0 "[ . 1 . 2]" 1 1343 1 73 LEU HA 1 73 LEU QD . . 3.290 2.469 2.256 2.572 . 0 0 "[ . 1 . 2]" 1 1344 1 73 LEU HA 1 74 ARG H . . 3.300 2.588 2.563 2.613 . 0 0 "[ . 1 . 2]" 1 1345 1 73 LEU HA 1 74 ARG QG . . 4.930 4.053 3.833 4.253 . 0 0 "[ . 1 . 2]" 1 1346 1 73 LEU HB2 1 74 ARG H . . 4.140 3.005 2.939 3.137 . 0 0 "[ . 1 . 2]" 1 1347 1 73 LEU HB2 1 87 GLN HB2 . . 4.100 3.797 3.016 4.103 0.003 6 0 "[ . 1 . 2]" 1 1348 1 73 LEU HB2 1 87 GLN HB3 . . 3.120 2.486 2.094 2.623 . 0 0 "[ . 1 . 2]" 1 1349 1 73 LEU HB3 1 74 ARG H . . 4.150 2.498 2.440 2.562 . 0 0 "[ . 1 . 2]" 1 1350 1 73 LEU HB3 1 87 GLN H . . 5.480 5.128 4.785 5.342 . 0 0 "[ . 1 . 2]" 1 1351 1 73 LEU HB3 1 87 GLN HB3 . . 4.490 4.185 3.817 4.328 . 0 0 "[ . 1 . 2]" 1 1352 1 73 LEU QD 1 74 ARG H . . 3.940 3.744 3.651 3.792 . 0 0 "[ . 1 . 2]" 1 1353 1 73 LEU QD 1 87 GLN H . . 4.310 4.400 4.165 4.635 0.325 11 0 "[ . 1 . 2]" 1 1354 1 73 LEU QD 1 87 GLN HB3 . . 3.540 2.515 2.306 2.756 . 0 0 "[ . 1 . 2]" 1 1355 1 73 LEU QD 1 89 ILE MD . . 3.740 2.515 2.296 2.828 . 0 0 "[ . 1 . 2]" 1 1356 1 73 LEU QD 1 92 VAL HB . . 4.730 4.526 4.463 4.603 . 0 0 "[ . 1 . 2]" 1 1357 1 73 LEU QD 1 92 VAL MG1 . . 4.360 3.527 3.385 3.655 . 0 0 "[ . 1 . 2]" 1 1358 1 73 LEU QD 1 92 VAL MG2 . . 3.450 2.484 2.395 2.617 . 0 0 "[ . 1 . 2]" 1 1359 1 73 LEU QD 1 105 PHE HZ . . 4.380 3.435 2.955 3.814 . 0 0 "[ . 1 . 2]" 1 1360 1 73 LEU QD 1 107 TYR QD . . 3.990 3.019 2.664 3.225 . 0 0 "[ . 1 . 2]" 1 1361 1 73 LEU QD 1 107 TYR QE . . 3.740 2.237 2.058 2.387 . 0 0 "[ . 1 . 2]" 1 1362 1 73 LEU QD 1 122 PHE QE . . 4.490 3.714 3.019 3.917 . 0 0 "[ . 1 . 2]" 1 1363 1 73 LEU QD 1 122 PHE HZ . . 4.720 3.720 3.364 3.976 . 0 0 "[ . 1 . 2]" 1 1364 1 73 LEU QD 1 136 VAL H . . 4.680 4.138 3.356 4.463 . 0 0 "[ . 1 . 2]" 1 1365 1 73 LEU QD 1 136 VAL HA . . 4.090 2.734 2.304 3.014 . 0 0 "[ . 1 . 2]" 1 1366 1 73 LEU QD 1 136 VAL HB . . 4.710 2.904 2.513 3.516 . 0 0 "[ . 1 . 2]" 1 1367 1 73 LEU QD 1 136 VAL MG2 . . 3.470 2.239 1.859 3.220 . 0 0 "[ . 1 . 2]" 1 1368 1 73 LEU HG 1 74 ARG H . . 4.650 4.907 4.879 4.941 0.291 11 0 "[ . 1 . 2]" 1 1369 1 73 LEU HG 1 87 GLN H . . 5.090 5.004 4.979 5.038 . 0 0 "[ . 1 . 2]" 1 1370 1 74 ARG H 1 75 VAL H . . 4.830 3.842 3.661 3.951 . 0 0 "[ . 1 . 2]" 1 1371 1 74 ARG H 1 75 VAL MG2 . . 4.560 3.863 3.687 3.942 . 0 0 "[ . 1 . 2]" 1 1372 1 74 ARG HA 1 74 ARG QD . . 4.430 3.463 3.205 3.621 . 0 0 "[ . 1 . 2]" 1 1373 1 74 ARG HA 1 74 ARG QG . . 3.530 2.079 2.031 2.144 . 0 0 "[ . 1 . 2]" 1 1374 1 74 ARG HA 1 75 VAL H . . 3.360 2.233 2.225 2.262 . 0 0 "[ . 1 . 2]" 1 1375 1 74 ARG HA 1 75 VAL HB . . 4.640 4.623 4.589 4.663 0.023 5 0 "[ . 1 . 2]" 1 1376 1 74 ARG HA 1 75 VAL MG2 . . 4.310 3.729 3.556 3.878 . 0 0 "[ . 1 . 2]" 1 1377 1 74 ARG HA 1 83 LEU QD . . 4.640 2.732 2.371 2.927 . 0 0 "[ . 1 . 2]" 1 1378 1 74 ARG HA 1 85 VAL H . . 4.930 4.582 4.531 4.683 . 0 0 "[ . 1 . 2]" 1 1379 1 74 ARG HA 1 85 VAL MG1 . . 4.400 4.492 4.434 4.527 0.127 20 0 "[ . 1 . 2]" 1 1380 1 74 ARG HA 1 86 ASP HA . . 4.000 2.752 2.491 3.012 . 0 0 "[ . 1 . 2]" 1 1381 1 74 ARG HA 1 87 GLN H . . 4.440 3.169 2.938 3.373 . 0 0 "[ . 1 . 2]" 1 1382 1 74 ARG QB 1 75 VAL H . . 4.390 3.602 3.490 3.759 . 0 0 "[ . 1 . 2]" 1 1383 1 74 ARG QB 1 76 VAL MG2 . . 3.300 2.748 2.635 2.927 . 0 0 "[ . 1 . 2]" 1 1384 1 74 ARG QB 1 86 ASP HA . . 4.650 4.433 4.256 4.700 0.050 12 0 "[ . 1 . 2]" 1 1385 1 74 ARG QD 1 75 VAL H . . 4.850 4.665 4.304 4.892 0.042 6 0 "[ . 1 . 2]" 1 1386 1 74 ARG QD 1 76 VAL MG2 . . 4.120 3.421 3.170 3.606 . 0 0 "[ . 1 . 2]" 1 1387 1 74 ARG QD 1 83 LEU QD . . 3.240 1.869 1.648 2.073 . 0 0 "[ . 1 . 2]" 1 1388 1 74 ARG HE 1 83 LEU QD . . 4.330 3.312 2.561 3.940 . 0 0 "[ . 1 . 2]" 1 1389 1 74 ARG HE 1 86 ASP HA . . 5.280 4.302 3.116 4.791 . 0 0 "[ . 1 . 2]" 1 1390 1 74 ARG QG 1 75 VAL H . . 4.060 4.037 3.896 4.142 0.082 13 0 "[ . 1 . 2]" 1 1391 1 74 ARG QG 1 83 LEU QD . . 2.890 2.764 2.450 2.879 . 0 0 "[ . 1 . 2]" 1 1392 1 74 ARG QG 1 86 ASP HA . . 3.910 2.757 2.478 3.044 . 0 0 "[ . 1 . 2]" 1 1393 1 74 ARG QG 1 86 ASP HB3 . . 4.600 5.067 4.650 5.434 0.834 7 8 "[ * + -*** .* *]" 1 1394 1 74 ARG QG 1 87 GLN H . . 3.840 3.574 3.176 3.830 . 0 0 "[ . 1 . 2]" 1 1395 1 75 VAL H 1 75 VAL HB . . 3.910 2.407 2.373 2.443 . 0 0 "[ . 1 . 2]" 1 1396 1 75 VAL H 1 75 VAL MG1 . . 4.190 3.730 3.715 3.751 . 0 0 "[ . 1 . 2]" 1 1397 1 75 VAL H 1 75 VAL MG2 . . 3.550 2.316 2.184 2.510 . 0 0 "[ . 1 . 2]" 1 1398 1 75 VAL H 1 76 VAL H . . 5.140 4.179 4.100 4.269 . 0 0 "[ . 1 . 2]" 1 1399 1 75 VAL H 1 85 VAL H . . 4.200 2.853 2.744 3.015 . 0 0 "[ . 1 . 2]" 1 1400 1 75 VAL H 1 85 VAL HB . . 3.810 3.253 3.131 3.364 . 0 0 "[ . 1 . 2]" 1 1401 1 75 VAL H 1 85 VAL MG1 . . 4.100 3.802 3.738 3.862 . 0 0 "[ . 1 . 2]" 1 1402 1 75 VAL H 1 87 GLN H . . 4.940 4.214 3.975 4.644 . 0 0 "[ . 1 . 2]" 1 1403 1 75 VAL HA 1 75 VAL MG1 . . 3.350 2.381 2.326 2.419 . 0 0 "[ . 1 . 2]" 1 1404 1 75 VAL HA 1 75 VAL MG2 . . 3.300 2.332 2.280 2.407 . 0 0 "[ . 1 . 2]" 1 1405 1 75 VAL HA 1 76 VAL H . . 3.410 2.258 2.209 2.285 . 0 0 "[ . 1 . 2]" 1 1406 1 75 VAL HA 1 76 VAL HB . . 4.300 4.370 4.327 4.398 0.098 17 0 "[ . 1 . 2]" 1 1407 1 75 VAL HA 1 85 VAL HB . . 4.890 4.886 4.721 4.968 0.078 11 0 "[ . 1 . 2]" 1 1408 1 75 VAL HB 1 84 ILE H . . 5.130 3.633 3.509 3.719 . 0 0 "[ . 1 . 2]" 1 1409 1 75 VAL HB 1 84 ILE HB . . 3.280 2.560 2.432 2.675 . 0 0 "[ . 1 . 2]" 1 1410 1 75 VAL HB 1 84 ILE MD . . 4.120 3.918 3.828 3.983 . 0 0 "[ . 1 . 2]" 1 1411 1 75 VAL HB 1 84 ILE MG . . 4.090 3.646 3.504 3.858 . 0 0 "[ . 1 . 2]" 1 1412 1 75 VAL HB 1 85 VAL H . . 3.850 2.179 1.983 2.258 . 0 0 "[ . 1 . 2]" 1 1413 1 75 VAL HB 1 85 VAL HA . . 4.750 4.288 4.133 4.371 . 0 0 "[ . 1 . 2]" 1 1414 1 75 VAL HB 1 85 VAL HB . . 3.360 2.106 2.013 2.186 . 0 0 "[ . 1 . 2]" 1 1415 1 75 VAL HB 1 85 VAL MG2 . . 3.350 3.135 2.978 3.331 . 0 0 "[ . 1 . 2]" 1 1416 1 75 VAL MG1 1 76 VAL H . . 3.680 3.490 3.289 3.572 . 0 0 "[ . 1 . 2]" 1 1417 1 75 VAL MG1 1 84 ILE H . . 3.740 3.611 3.481 3.724 . 0 0 "[ . 1 . 2]" 1 1418 1 75 VAL MG1 1 84 ILE HB . . 3.090 1.969 1.956 2.027 . 0 0 "[ . 1 . 2]" 1 1419 1 75 VAL MG1 1 84 ILE MD . . 3.020 2.025 1.981 2.048 . 0 0 "[ . 1 . 2]" 1 1420 1 75 VAL MG1 1 84 ILE HG12 . . 3.990 4.060 4.033 4.080 0.090 8 0 "[ . 1 . 2]" 1 1421 1 75 VAL MG1 1 85 VAL H . . 3.390 3.453 3.320 3.477 0.087 13 0 "[ . 1 . 2]" 1 1422 1 75 VAL MG1 1 85 VAL HB . . 3.760 3.397 3.308 3.465 . 0 0 "[ . 1 . 2]" 1 1423 1 75 VAL MG1 1 122 PHE QE . . 3.910 3.188 2.787 3.518 . 0 0 "[ . 1 . 2]" 1 1424 1 75 VAL MG2 1 85 VAL H . . 3.790 3.670 3.532 3.746 . 0 0 "[ . 1 . 2]" 1 1425 1 75 VAL MG2 1 85 VAL HB . . 3.250 2.360 2.228 2.514 . 0 0 "[ . 1 . 2]" 1 1426 1 75 VAL MG2 1 122 PHE QE . . 3.120 1.890 1.762 1.968 . 0 0 "[ . 1 . 2]" 1 1427 1 75 VAL MG2 1 122 PHE HZ . . 3.320 3.011 2.701 3.353 0.033 10 0 "[ . 1 . 2]" 1 1428 1 76 VAL H 1 76 VAL HB . . 3.480 2.134 2.115 2.157 . 0 0 "[ . 1 . 2]" 1 1429 1 76 VAL H 1 76 VAL MG1 . . 3.810 3.553 3.532 3.575 . 0 0 "[ . 1 . 2]" 1 1430 1 76 VAL H 1 76 VAL MG2 . . 3.310 2.811 2.705 2.894 . 0 0 "[ . 1 . 2]" 1 1431 1 76 VAL H 1 84 ILE HB . . 5.290 4.991 4.862 5.180 . 0 0 "[ . 1 . 2]" 1 1432 1 76 VAL HA 1 83 LEU HA . . 3.950 2.251 2.114 2.380 . 0 0 "[ . 1 . 2]" 1 1433 1 76 VAL HA 1 84 ILE H . . 4.330 2.644 2.573 2.785 . 0 0 "[ . 1 . 2]" 1 1434 1 76 VAL HB 1 77 ASP H . . 3.790 4.094 4.082 4.104 0.314 7 0 "[ . 1 . 2]" 1 1435 1 76 VAL HB 1 81 LYS HA . . 4.650 4.483 4.454 4.524 . 0 0 "[ . 1 . 2]" 1 1436 1 76 VAL MG1 1 77 ASP H . . 3.190 1.902 1.886 1.911 . 0 0 "[ . 1 . 2]" 1 1437 1 76 VAL MG1 1 77 ASP HA . . 3.590 3.602 3.576 3.636 0.046 17 0 "[ . 1 . 2]" 1 1438 1 76 VAL MG1 1 77 ASP HB3 . . 4.270 3.801 3.716 3.880 . 0 0 "[ . 1 . 2]" 1 1439 1 76 VAL MG1 1 78 GLU H . . 4.100 3.524 3.492 3.601 . 0 0 "[ . 1 . 2]" 1 1440 1 76 VAL MG1 1 80 THR H . . 5.500 4.791 4.717 4.832 . 0 0 "[ . 1 . 2]" 1 1441 1 76 VAL MG1 1 81 LYS H . . 3.500 3.370 3.354 3.391 . 0 0 "[ . 1 . 2]" 1 1442 1 76 VAL MG1 1 81 LYS HA . . 2.890 1.865 1.823 1.902 . 0 0 "[ . 1 . 2]" 1 1443 1 76 VAL MG1 1 81 LYS HB2 . . 3.820 3.889 3.832 3.929 0.109 7 0 "[ . 1 . 2]" 1 1444 1 76 VAL MG1 1 81 LYS HB3 . . 4.160 2.879 2.742 2.959 . 0 0 "[ . 1 . 2]" 1 1445 1 76 VAL MG1 1 81 LYS HD2 . . 3.560 1.954 1.779 2.019 . 0 0 "[ . 1 . 2]" 1 1446 1 76 VAL MG1 1 81 LYS HD3 . . 3.230 2.152 1.864 3.246 0.016 2 0 "[ . 1 . 2]" 1 1447 1 76 VAL MG1 1 81 LYS HG2 . . 3.890 3.581 3.513 3.674 . 0 0 "[ . 1 . 2]" 1 1448 1 76 VAL MG1 1 81 LYS HG3 . . 3.910 3.987 3.944 4.079 0.169 12 0 "[ . 1 . 2]" 1 1449 1 76 VAL MG1 1 82 ASP H . . 5.070 3.459 3.406 3.506 . 0 0 "[ . 1 . 2]" 1 1450 1 76 VAL MG1 1 82 ASP HA . . 4.460 4.189 4.097 4.276 . 0 0 "[ . 1 . 2]" 1 1451 1 76 VAL MG1 1 82 ASP QB . . 4.980 4.225 4.142 4.311 . 0 0 "[ . 1 . 2]" 1 1452 1 76 VAL MG2 1 77 ASP H . . 3.470 3.487 3.437 3.528 0.058 12 0 "[ . 1 . 2]" 1 1453 1 76 VAL MG2 1 81 LYS HA . . 4.020 3.894 3.824 3.973 . 0 0 "[ . 1 . 2]" 1 1454 1 76 VAL MG2 1 82 ASP H . . 4.820 4.921 4.908 4.952 0.132 17 0 "[ . 1 . 2]" 1 1455 1 76 VAL MG2 1 83 LEU H . . 4.570 4.590 4.284 4.656 0.086 20 0 "[ . 1 . 2]" 1 1456 1 76 VAL MG2 1 83 LEU HA . . 3.610 2.887 2.779 2.991 . 0 0 "[ . 1 . 2]" 1 1457 1 77 ASP H 1 77 ASP HB2 . . 3.730 2.656 2.538 2.775 . 0 0 "[ . 1 . 2]" 1 1458 1 77 ASP H 1 77 ASP HB3 . . 3.600 2.553 2.416 2.668 . 0 0 "[ . 1 . 2]" 1 1459 1 77 ASP H 1 78 GLU H . . 5.500 4.223 4.214 4.246 . 0 0 "[ . 1 . 2]" 1 1460 1 77 ASP H 1 79 LYS H . . 5.340 4.977 4.951 5.054 . 0 0 "[ . 1 . 2]" 1 1461 1 77 ASP H 1 80 THR H . . 5.380 4.772 4.721 4.816 . 0 0 "[ . 1 . 2]" 1 1462 1 77 ASP H 1 81 LYS H . . 5.160 4.068 4.028 4.110 . 0 0 "[ . 1 . 2]" 1 1463 1 77 ASP H 1 81 LYS HA . . 4.950 3.413 3.313 3.487 . 0 0 "[ . 1 . 2]" 1 1464 1 77 ASP H 1 82 ASP H . . 5.130 3.407 3.357 3.462 . 0 0 "[ . 1 . 2]" 1 1465 1 77 ASP H 1 82 ASP QB . . 4.680 3.437 3.347 3.580 . 0 0 "[ . 1 . 2]" 1 1466 1 77 ASP H 1 84 ILE MD . . 3.420 3.431 3.325 3.471 0.051 8 0 "[ . 1 . 2]" 1 1467 1 77 ASP H 1 84 ILE HG12 . . 5.080 4.023 3.927 4.102 . 0 0 "[ . 1 . 2]" 1 1468 1 77 ASP H 1 84 ILE HG13 . . 5.480 2.830 2.771 2.907 . 0 0 "[ . 1 . 2]" 1 1469 1 77 ASP HA 1 78 GLU H . . 3.310 2.275 2.269 2.280 . 0 0 "[ . 1 . 2]" 1 1470 1 77 ASP HA 1 84 ILE MD . . 3.310 1.910 1.891 1.976 . 0 0 "[ . 1 . 2]" 1 1471 1 77 ASP HA 1 84 ILE HG13 . . 4.080 3.240 3.153 3.378 . 0 0 "[ . 1 . 2]" 1 1472 1 77 ASP HB2 1 78 GLU H . . 4.640 4.601 4.557 4.639 . 0 0 "[ . 1 . 2]" 1 1473 1 77 ASP HB2 1 79 LYS H . . 4.730 4.486 4.446 4.517 . 0 0 "[ . 1 . 2]" 1 1474 1 77 ASP HB2 1 80 THR H . . 4.480 4.711 4.634 4.781 0.301 10 0 "[ . 1 . 2]" 1 1475 1 77 ASP HB2 1 82 ASP H . . 4.280 4.399 4.280 4.535 0.255 10 0 "[ . 1 . 2]" 1 1476 1 77 ASP HB2 1 84 ILE MD . . 3.740 2.403 2.220 2.578 . 0 0 "[ . 1 . 2]" 1 1477 1 77 ASP HB2 1 84 ILE HG13 . . 4.940 2.239 2.116 2.364 . 0 0 "[ . 1 . 2]" 1 1478 1 77 ASP HB2 1 84 ILE MG . . 4.560 4.005 3.982 4.019 . 0 0 "[ . 1 . 2]" 1 1479 1 77 ASP HB3 1 78 GLU H . . 4.940 4.386 4.313 4.473 . 0 0 "[ . 1 . 2]" 1 1480 1 77 ASP HB3 1 79 LYS H . . 5.280 3.553 3.379 3.820 . 0 0 "[ . 1 . 2]" 1 1481 1 77 ASP HB3 1 80 THR H . . 4.290 3.001 2.888 3.153 . 0 0 "[ . 1 . 2]" 1 1482 1 77 ASP HB3 1 81 LYS H . . 4.660 3.611 3.541 3.703 . 0 0 "[ . 1 . 2]" 1 1483 1 77 ASP HB3 1 82 ASP H . . 3.880 2.934 2.840 3.071 . 0 0 "[ . 1 . 2]" 1 1484 1 77 ASP HB3 1 84 ILE MD . . 3.430 3.639 3.577 3.702 0.272 1 0 "[ . 1 . 2]" 1 1485 1 77 ASP HB3 1 84 ILE HG12 . . 4.200 3.732 3.703 3.753 . 0 0 "[ . 1 . 2]" 1 1486 1 77 ASP HB3 1 84 ILE HG13 . . 4.380 3.694 3.524 3.858 . 0 0 "[ . 1 . 2]" 1 1487 1 78 GLU H 1 78 GLU HB2 . . 3.430 2.450 2.360 3.565 0.135 17 0 "[ . 1 . 2]" 1 1488 1 78 GLU H 1 78 GLU HB3 . . 3.410 3.510 2.668 3.561 0.151 13 0 "[ . 1 . 2]" 1 1489 1 78 GLU H 1 78 GLU QG . . 3.810 2.462 1.996 2.527 . 0 0 "[ . 1 . 2]" 1 1490 1 78 GLU H 1 79 LYS H . . 3.190 2.932 2.916 2.949 . 0 0 "[ . 1 . 2]" 1 1491 1 78 GLU H 1 84 ILE MD . . 4.050 3.650 3.591 3.724 . 0 0 "[ . 1 . 2]" 1 1492 1 78 GLU HA 1 78 GLU QG . . 3.230 2.164 2.081 3.294 0.064 17 0 "[ . 1 . 2]" 1 1493 1 78 GLU HB2 1 79 LYS H . . 3.830 3.097 3.041 3.766 . 0 0 "[ . 1 . 2]" 1 1494 1 78 GLU HB3 1 79 LYS H . . 4.040 3.787 3.742 4.248 0.208 17 0 "[ . 1 . 2]" 1 1495 1 78 GLU QG 1 79 LYS H . . 4.410 4.275 2.195 4.414 0.004 16 0 "[ . 1 . 2]" 1 1496 1 79 LYS H 1 79 LYS QB . . 3.010 2.100 2.077 2.140 . 0 0 "[ . 1 . 2]" 1 1497 1 79 LYS H 1 79 LYS HG2 . . 4.230 4.145 4.084 4.502 0.272 1 0 "[ . 1 . 2]" 1 1498 1 79 LYS H 1 80 THR H . . 3.550 3.305 3.236 3.332 . 0 0 "[ . 1 . 2]" 1 1499 1 79 LYS H 1 81 LYS H . . 4.200 3.621 3.594 3.655 . 0 0 "[ . 1 . 2]" 1 1500 1 79 LYS H 1 84 ILE MD . . 5.130 4.615 4.553 4.721 . 0 0 "[ . 1 . 2]" 1 1501 1 79 LYS HA 1 79 LYS QD . . 3.840 3.332 2.772 3.942 0.102 1 0 "[ . 1 . 2]" 1 1502 1 79 LYS HA 1 79 LYS QE . . 4.520 3.468 2.577 4.402 . 0 0 "[ . 1 . 2]" 1 1503 1 79 LYS HA 1 79 LYS HG2 . . 3.280 2.225 2.101 2.950 . 0 0 "[ . 1 . 2]" 1 1504 1 79 LYS HA 1 79 LYS HG3 . . 4.010 3.389 2.369 3.562 . 0 0 "[ . 1 . 2]" 1 1505 1 79 LYS QB 1 79 LYS QD . . 3.030 2.165 2.028 2.279 . 0 0 "[ . 1 . 2]" 1 1506 1 79 LYS QB 1 79 LYS QE . . 4.160 3.593 3.413 3.787 . 0 0 "[ . 1 . 2]" 1 1507 1 79 LYS QB 1 80 THR H . . 3.260 1.961 1.927 2.058 . 0 0 "[ . 1 . 2]" 1 1508 1 79 LYS QB 1 80 THR HA . . 4.540 4.322 4.283 4.402 . 0 0 "[ . 1 . 2]" 1 1509 1 79 LYS QB 1 80 THR MG . . 3.140 3.233 3.213 3.312 0.172 13 0 "[ . 1 . 2]" 1 1510 1 79 LYS QB 1 81 LYS H . . 4.310 3.793 3.761 3.858 . 0 0 "[ . 1 . 2]" 1 1511 1 79 LYS QB 1 84 ILE MD . . 4.770 4.794 4.734 4.865 0.095 5 0 "[ . 1 . 2]" 1 1512 1 79 LYS QD 1 80 THR MG . . 3.890 3.069 2.888 3.960 0.070 1 0 "[ . 1 . 2]" 1 1513 1 79 LYS HG2 1 80 THR H . . 4.400 4.317 3.471 4.487 0.087 18 0 "[ . 1 . 2]" 1 1514 1 79 LYS HG3 1 80 THR H . . 4.270 4.469 4.363 4.565 0.295 17 0 "[ . 1 . 2]" 1 1515 1 80 THR H 1 80 THR MG . . 3.030 2.397 2.367 2.424 . 0 0 "[ . 1 . 2]" 1 1516 1 80 THR H 1 81 LYS H . . 3.460 2.275 2.232 2.313 . 0 0 "[ . 1 . 2]" 1 1517 1 80 THR H 1 81 LYS HA . . 4.280 4.306 4.254 4.328 0.048 12 0 "[ . 1 . 2]" 1 1518 1 80 THR H 1 82 ASP H . . 4.710 2.715 2.662 2.765 . 0 0 "[ . 1 . 2]" 1 1519 1 80 THR HA 1 81 LYS HB2 . . 4.960 3.917 3.867 4.025 . 0 0 "[ . 1 . 2]" 1 1520 1 80 THR HB 1 81 LYS H . . 4.640 4.496 4.467 4.516 . 0 0 "[ . 1 . 2]" 1 1521 1 80 THR HB 1 82 ASP H . . 4.000 4.276 4.222 4.296 0.296 9 0 "[ . 1 . 2]" 1 1522 1 80 THR MG 1 81 LYS HA . . 4.660 4.513 4.467 4.576 . 0 0 "[ . 1 . 2]" 1 1523 1 80 THR MG 1 81 LYS HB2 . . 4.550 4.108 4.037 4.147 . 0 0 "[ . 1 . 2]" 1 1524 1 80 THR MG 1 82 ASP QB . . 4.330 1.801 1.759 1.851 . 0 0 "[ . 1 . 2]" 1 1525 1 81 LYS H 1 81 LYS HB3 . . 4.190 4.103 4.099 4.105 . 0 0 "[ . 1 . 2]" 1 1526 1 81 LYS H 1 81 LYS HD2 . . 4.450 4.660 3.770 4.869 0.419 3 0 "[ . 1 . 2]" 1 1527 1 81 LYS H 1 81 LYS HD3 . . 4.130 3.957 3.693 4.789 0.659 17 2 "[ . 1 - . + 2]" 1 1528 1 81 LYS H 1 81 LYS HG3 . . 4.740 4.522 4.398 4.592 . 0 0 "[ . 1 . 2]" 1 1529 1 81 LYS HA 1 81 LYS HD2 . . 3.100 2.669 1.938 2.854 . 0 0 "[ . 1 . 2]" 1 1530 1 81 LYS HA 1 81 LYS HD3 . . 3.610 2.269 1.992 3.410 . 0 0 "[ . 1 . 2]" 1 1531 1 81 LYS HA 1 81 LYS HG2 . . 3.790 2.599 2.543 2.664 . 0 0 "[ . 1 . 2]" 1 1532 1 81 LYS HA 1 81 LYS HG3 . . 3.730 3.580 3.556 3.634 . 0 0 "[ . 1 . 2]" 1 1533 1 81 LYS HA 1 82 ASP QB . . 4.880 4.806 4.782 4.843 . 0 0 "[ . 1 . 2]" 1 1534 1 81 LYS HB3 1 82 ASP H . . 5.310 4.284 4.233 4.365 . 0 0 "[ . 1 . 2]" 1 1535 1 82 ASP H 1 82 ASP QB . . 3.440 2.040 1.983 2.181 . 0 0 "[ . 1 . 2]" 1 1536 1 82 ASP H 1 83 LEU H . . 4.650 4.579 4.540 4.639 . 0 0 "[ . 1 . 2]" 1 1537 1 82 ASP HA 1 83 LEU H . . 2.990 2.746 2.586 2.821 . 0 0 "[ . 1 . 2]" 1 1538 1 82 ASP QB 1 83 LEU H . . 3.720 2.582 2.233 3.265 . 0 0 "[ . 1 . 2]" 1 1539 1 82 ASP QB 1 83 LEU HA . . 4.590 4.164 3.977 4.754 0.164 13 0 "[ . 1 . 2]" 1 1540 1 83 LEU H 1 83 LEU HB2 . . 3.320 2.761 2.674 2.935 . 0 0 "[ . 1 . 2]" 1 1541 1 83 LEU H 1 83 LEU HB3 . . 3.370 2.623 2.421 2.709 . 0 0 "[ . 1 . 2]" 1 1542 1 83 LEU H 1 84 ILE H . . 4.580 4.388 4.330 4.476 . 0 0 "[ . 1 . 2]" 1 1543 1 83 LEU HA 1 83 LEU QD . . 3.340 1.935 1.861 2.121 . 0 0 "[ . 1 . 2]" 1 1544 1 83 LEU HA 1 83 LEU HG . . 4.050 3.467 3.217 3.587 . 0 0 "[ . 1 . 2]" 1 1545 1 83 LEU HA 1 84 ILE H . . 3.330 2.182 2.178 2.189 . 0 0 "[ . 1 . 2]" 1 1546 1 83 LEU HA 1 84 ILE HB . . 4.590 4.655 4.615 4.697 0.107 8 0 "[ . 1 . 2]" 1 1547 1 83 LEU HA 1 85 VAL H . . 4.340 4.000 3.901 4.124 . 0 0 "[ . 1 . 2]" 1 1548 1 83 LEU HB2 1 84 ILE H . . 4.410 4.428 4.305 4.479 0.069 1 0 "[ . 1 . 2]" 1 1549 1 83 LEU HB3 1 83 LEU QD . . 3.050 2.260 2.201 2.404 . 0 0 "[ . 1 . 2]" 1 1550 1 83 LEU HB3 1 84 ILE H . . 4.260 4.249 4.195 4.318 0.058 13 0 "[ . 1 . 2]" 1 1551 1 83 LEU QD 1 84 ILE H . . 3.820 2.137 2.028 2.237 . 0 0 "[ . 1 . 2]" 1 1552 1 83 LEU QD 1 85 VAL H . . 4.550 2.334 2.120 2.513 . 0 0 "[ . 1 . 2]" 1 1553 1 83 LEU QD 1 85 VAL HA . . 4.410 3.200 2.833 3.955 . 0 0 "[ . 1 . 2]" 1 1554 1 83 LEU QD 1 86 ASP H . . 5.440 3.457 3.170 4.087 . 0 0 "[ . 1 . 2]" 1 1555 1 83 LEU QD 1 86 ASP HA . . 3.930 2.716 2.681 2.776 . 0 0 "[ . 1 . 2]" 1 1556 1 83 LEU QD 1 86 ASP HB2 . . 3.590 2.176 2.009 2.287 . 0 0 "[ . 1 . 2]" 1 1557 1 83 LEU QD 1 86 ASP HB3 . . 3.620 3.129 2.888 3.552 . 0 0 "[ . 1 . 2]" 1 1558 1 83 LEU QD 1 87 GLN H . . 4.900 4.328 4.137 4.414 . 0 0 "[ . 1 . 2]" 1 1559 1 83 LEU HG 1 84 ILE H . . 5.390 4.390 3.397 4.843 . 0 0 "[ . 1 . 2]" 1 1560 1 83 LEU HG 1 85 VAL H . . 5.500 4.509 3.123 5.252 . 0 0 "[ . 1 . 2]" 1 1561 1 83 LEU HG 1 86 ASP HB3 . . 4.690 4.896 4.495 5.142 0.452 10 0 "[ . 1 . 2]" 1 1562 1 84 ILE H 1 84 ILE HB . . 3.590 2.500 2.459 2.537 . 0 0 "[ . 1 . 2]" 1 1563 1 84 ILE H 1 84 ILE HG12 . . 3.670 3.528 3.434 3.620 . 0 0 "[ . 1 . 2]" 1 1564 1 84 ILE H 1 84 ILE HG13 . . 3.810 2.189 2.113 2.267 . 0 0 "[ . 1 . 2]" 1 1565 1 84 ILE H 1 85 VAL H . . 3.390 2.316 2.228 2.371 . 0 0 "[ . 1 . 2]" 1 1566 1 84 ILE H 1 85 VAL HA . . 4.690 4.800 4.773 4.832 0.142 13 0 "[ . 1 . 2]" 1 1567 1 84 ILE HA 1 84 ILE MD . . 3.750 3.887 3.870 3.910 0.160 20 0 "[ . 1 . 2]" 1 1568 1 84 ILE HA 1 84 ILE HG12 . . 3.260 2.676 2.640 2.731 . 0 0 "[ . 1 . 2]" 1 1569 1 84 ILE HA 1 84 ILE HG13 . . 3.460 3.017 2.953 3.082 . 0 0 "[ . 1 . 2]" 1 1570 1 84 ILE HA 1 84 ILE MG . . 3.030 2.383 2.335 2.431 . 0 0 "[ . 1 . 2]" 1 1571 1 84 ILE HA 1 85 VAL MG2 . . 4.530 3.947 3.829 4.074 . 0 0 "[ . 1 . 2]" 1 1572 1 84 ILE HB 1 85 VAL H . . 3.620 2.567 2.443 2.697 . 0 0 "[ . 1 . 2]" 1 1573 1 84 ILE HB 1 85 VAL HA . . 4.780 4.749 4.692 4.785 0.005 10 0 "[ . 1 . 2]" 1 1574 1 84 ILE HB 1 85 VAL MG2 . . 3.470 3.259 3.116 3.375 . 0 0 "[ . 1 . 2]" 1 1575 1 84 ILE MD 1 85 VAL H . . 4.160 4.359 4.220 4.403 0.243 15 0 "[ . 1 . 2]" 1 1576 1 84 ILE HG13 1 85 VAL H . . 4.720 4.065 3.985 4.135 . 0 0 "[ . 1 . 2]" 1 1577 1 84 ILE MG 1 85 VAL H . . 3.730 3.606 3.518 3.741 0.011 20 0 "[ . 1 . 2]" 1 1578 1 84 ILE MG 1 85 VAL HA . . 4.340 4.214 4.123 4.314 . 0 0 "[ . 1 . 2]" 1 1579 1 84 ILE MG 1 85 VAL MG2 . . 2.910 2.349 2.219 2.429 . 0 0 "[ . 1 . 2]" 1 1580 1 85 VAL H 1 85 VAL HB . . 3.830 2.717 2.664 2.758 . 0 0 "[ . 1 . 2]" 1 1581 1 85 VAL H 1 85 VAL MG2 . . 3.830 3.170 3.048 3.226 . 0 0 "[ . 1 . 2]" 1 1582 1 85 VAL H 1 86 ASP H . . 4.770 4.398 4.382 4.418 . 0 0 "[ . 1 . 2]" 1 1583 1 85 VAL HA 1 85 VAL MG1 . . 3.010 2.488 2.454 2.535 . 0 0 "[ . 1 . 2]" 1 1584 1 85 VAL HA 1 85 VAL MG2 . . 3.070 2.242 2.175 2.351 . 0 0 "[ . 1 . 2]" 1 1585 1 85 VAL HA 1 86 ASP H . . 2.920 2.381 2.348 2.432 . 0 0 "[ . 1 . 2]" 1 1586 1 85 VAL HA 1 86 ASP HB2 . . 4.730 4.669 4.640 4.683 . 0 0 "[ . 1 . 2]" 1 1587 1 85 VAL HA 1 86 ASP HB3 . . 4.870 4.203 4.195 4.221 . 0 0 "[ . 1 . 2]" 1 1588 1 85 VAL HB 1 86 ASP H . . 4.620 3.922 3.850 3.993 . 0 0 "[ . 1 . 2]" 1 1589 1 85 VAL HB 1 86 ASP HA . . 4.650 4.800 4.770 4.852 0.202 20 0 "[ . 1 . 2]" 1 1590 1 85 VAL MG1 1 86 ASP H . . 3.190 2.070 1.929 2.160 . 0 0 "[ . 1 . 2]" 1 1591 1 85 VAL MG1 1 86 ASP HA . . 4.030 3.418 3.347 3.487 . 0 0 "[ . 1 . 2]" 1 1592 1 85 VAL MG1 1 87 GLN H . . 3.680 3.244 2.991 3.713 0.033 16 0 "[ . 1 . 2]" 1 1593 1 85 VAL MG1 1 87 GLN HA . . 4.250 3.865 3.630 4.160 . 0 0 "[ . 1 . 2]" 1 1594 1 85 VAL MG1 1 87 GLN HB2 . . 4.410 2.963 2.808 3.070 . 0 0 "[ . 1 . 2]" 1 1595 1 85 VAL MG1 1 120 HIS HE1 . . 4.000 3.031 2.358 3.430 . 0 0 "[ . 1 . 2]" 1 1596 1 85 VAL MG1 1 122 PHE HZ . . 4.740 4.418 4.022 4.818 0.078 10 0 "[ . 1 . 2]" 1 1597 1 85 VAL MG2 1 120 HIS HE1 . . 3.770 3.525 2.802 3.846 0.076 10 0 "[ . 1 . 2]" 1 1598 1 86 ASP H 1 86 ASP HB2 . . 3.770 3.391 3.365 3.401 . 0 0 "[ . 1 . 2]" 1 1599 1 86 ASP H 1 86 ASP HB3 . . 3.970 2.493 2.461 2.505 . 0 0 "[ . 1 . 2]" 1 1600 1 86 ASP H 1 87 GLN H . . 5.400 3.921 3.779 4.174 . 0 0 "[ . 1 . 2]" 1 1601 1 86 ASP HB2 1 87 GLN H . . 4.650 4.431 4.241 4.515 . 0 0 "[ . 1 . 2]" 1 1602 1 86 ASP HB3 1 87 GLN H . . 4.530 4.603 4.512 4.630 0.100 17 0 "[ . 1 . 2]" 1 1603 1 87 GLN H 1 87 GLN HB2 . . 3.970 2.787 2.413 3.082 . 0 0 "[ . 1 . 2]" 1 1604 1 87 GLN H 1 87 GLN HB3 . . 3.820 2.587 2.426 2.814 . 0 0 "[ . 1 . 2]" 1 1605 1 87 GLN HA 1 87 GLN HE21 . . 5.500 3.819 3.227 4.546 . 0 0 "[ . 1 . 2]" 1 1606 1 87 GLN HA 1 87 GLN HE22 . . 5.250 4.006 3.399 4.501 . 0 0 "[ . 1 . 2]" 1 1607 1 87 GLN HA 1 88 THR H . . 3.290 2.304 2.248 2.364 . 0 0 "[ . 1 . 2]" 1 1608 1 87 GLN HB2 1 88 THR H . . 5.010 4.176 4.021 4.370 . 0 0 "[ . 1 . 2]" 1 1609 1 87 GLN HB3 1 88 THR H . . 4.290 3.969 3.705 4.101 . 0 0 "[ . 1 . 2]" 1 1610 1 87 GLN HE21 1 88 THR H . . 4.670 2.760 1.895 3.503 . 0 0 "[ . 1 . 2]" 1 1611 1 87 GLN HE21 1 88 THR MG . . 4.110 3.066 2.289 3.791 . 0 0 "[ . 1 . 2]" 1 1612 1 87 GLN HE21 1 91 LYS H . . 4.970 3.967 3.500 4.520 . 0 0 "[ . 1 . 2]" 1 1613 1 87 GLN HE21 1 91 LYS HB2 . . 4.930 2.164 1.941 2.621 . 0 0 "[ . 1 . 2]" 1 1614 1 87 GLN HE21 1 91 LYS HB3 . . 4.600 2.902 2.142 3.484 . 0 0 "[ . 1 . 2]" 1 1615 1 87 GLN HE21 1 92 VAL MG2 . . 4.040 2.477 1.994 3.213 . 0 0 "[ . 1 . 2]" 1 1616 1 87 GLN HE22 1 88 THR H . . 4.850 3.284 2.517 3.863 . 0 0 "[ . 1 . 2]" 1 1617 1 87 GLN HE22 1 88 THR MG . . 4.200 3.268 2.559 3.818 . 0 0 "[ . 1 . 2]" 1 1618 1 87 GLN HE22 1 91 LYS H . . 5.130 4.275 3.051 5.020 . 0 0 "[ . 1 . 2]" 1 1619 1 87 GLN HE22 1 91 LYS HB2 . . 4.850 2.197 1.918 2.928 . 0 0 "[ . 1 . 2]" 1 1620 1 87 GLN HE22 1 91 LYS HB3 . . 4.690 2.490 1.949 3.589 . 0 0 "[ . 1 . 2]" 1 1621 1 87 GLN HE22 1 91 LYS QE . . 5.500 4.254 1.977 5.706 0.206 10 0 "[ . 1 . 2]" 1 1622 1 87 GLN HE22 1 92 VAL H . . 5.230 3.648 1.883 4.697 . 0 0 "[ . 1 . 2]" 1 1623 1 87 GLN HE22 1 92 VAL MG2 . . 4.100 3.510 1.950 4.134 0.034 6 0 "[ . 1 . 2]" 1 1624 1 87 GLN HG2 1 88 THR H . . 4.800 3.884 3.013 4.352 . 0 0 "[ . 1 . 2]" 1 1625 1 87 GLN HG2 1 92 VAL MG2 . . 3.350 2.790 2.390 3.746 0.396 10 0 "[ . 1 . 2]" 1 1626 1 87 GLN HG3 1 88 THR H . . 4.910 2.740 2.212 4.234 . 0 0 "[ . 1 . 2]" 1 1627 1 88 THR H 1 88 THR HB . . 3.900 3.110 2.997 3.240 . 0 0 "[ . 1 . 2]" 1 1628 1 88 THR H 1 88 THR MG . . 3.210 1.924 1.869 2.017 . 0 0 "[ . 1 . 2]" 1 1629 1 88 THR H 1 91 LYS HB3 . . 5.080 4.789 4.513 5.114 0.034 6 0 "[ . 1 . 2]" 1 1630 1 88 THR HA 1 90 GLU H . . 4.890 3.782 3.599 3.979 . 0 0 "[ . 1 . 2]" 1 1631 1 88 THR HB 1 89 ILE H . . 3.920 4.030 3.992 4.078 0.158 10 0 "[ . 1 . 2]" 1 1632 1 88 THR HB 1 90 GLU H . . 4.330 4.183 4.029 4.449 0.119 17 0 "[ . 1 . 2]" 1 1633 1 88 THR HB 1 90 GLU HB2 . . 4.770 4.346 4.111 4.574 . 0 0 "[ . 1 . 2]" 1 1634 1 88 THR HB 1 90 GLU QG . . 4.990 4.576 4.116 5.076 0.086 15 0 "[ . 1 . 2]" 1 1635 1 88 THR HB 1 91 LYS H . . 4.880 4.695 4.611 4.841 . 0 0 "[ . 1 . 2]" 1 1636 1 88 THR MG 1 89 ILE H . . 4.620 4.117 3.992 4.225 . 0 0 "[ . 1 . 2]" 1 1637 1 88 THR MG 1 90 GLU H . . 3.520 3.230 2.955 3.497 . 0 0 "[ . 1 . 2]" 1 1638 1 88 THR MG 1 90 GLU HB2 . . 4.480 2.450 2.156 2.695 . 0 0 "[ . 1 . 2]" 1 1639 1 88 THR MG 1 90 GLU QG . . 4.140 3.643 3.367 4.067 . 0 0 "[ . 1 . 2]" 1 1640 1 88 THR MG 1 91 LYS H . . 3.580 2.090 1.912 2.246 . 0 0 "[ . 1 . 2]" 1 1641 1 88 THR MG 1 91 LYS HB2 . . 3.740 2.231 1.952 2.610 . 0 0 "[ . 1 . 2]" 1 1642 1 88 THR MG 1 91 LYS QE . . 3.690 2.945 1.758 3.641 . 0 0 "[ . 1 . 2]" 1 1643 1 88 THR MG 1 92 VAL H . . 5.040 3.645 3.372 3.935 . 0 0 "[ . 1 . 2]" 1 1644 1 89 ILE H 1 89 ILE HB . . 3.400 2.095 2.060 2.139 . 0 0 "[ . 1 . 2]" 1 1645 1 89 ILE H 1 89 ILE MD . . 4.000 3.384 3.253 3.550 . 0 0 "[ . 1 . 2]" 1 1646 1 89 ILE H 1 89 ILE HG12 . . 4.620 4.499 4.449 4.565 . 0 0 "[ . 1 . 2]" 1 1647 1 89 ILE H 1 89 ILE MG . . 3.350 2.690 2.575 2.787 . 0 0 "[ . 1 . 2]" 1 1648 1 89 ILE H 1 90 GLU H . . 4.170 2.701 2.602 2.809 . 0 0 "[ . 1 . 2]" 1 1649 1 89 ILE H 1 92 VAL MG2 . . 4.670 4.367 4.106 4.486 . 0 0 "[ . 1 . 2]" 1 1650 1 89 ILE HA 1 89 ILE MD . . 3.190 2.015 1.922 2.201 . 0 0 "[ . 1 . 2]" 1 1651 1 89 ILE HA 1 89 ILE HG12 . . 3.850 3.566 3.553 3.583 . 0 0 "[ . 1 . 2]" 1 1652 1 89 ILE HA 1 89 ILE HG13 . . 3.770 2.589 2.456 2.758 . 0 0 "[ . 1 . 2]" 1 1653 1 89 ILE HA 1 89 ILE MG . . 3.530 3.160 3.150 3.173 . 0 0 "[ . 1 . 2]" 1 1654 1 89 ILE HA 1 91 LYS H . . 4.880 4.951 4.817 5.010 0.130 10 0 "[ . 1 . 2]" 1 1655 1 89 ILE HA 1 92 VAL H . . 4.450 3.586 3.400 3.758 . 0 0 "[ . 1 . 2]" 1 1656 1 89 ILE HA 1 92 VAL HB . . 3.880 2.475 2.169 2.719 . 0 0 "[ . 1 . 2]" 1 1657 1 89 ILE HA 1 92 VAL MG2 . . 3.390 2.673 2.509 2.845 . 0 0 "[ . 1 . 2]" 1 1658 1 89 ILE HA 1 140 PHE QD . . 4.460 3.914 3.437 4.489 0.029 16 0 "[ . 1 . 2]" 1 1659 1 89 ILE HB 1 89 ILE MD . . 3.460 2.232 2.123 2.309 . 0 0 "[ . 1 . 2]" 1 1660 1 89 ILE HB 1 90 GLU H . . 4.270 3.849 3.662 3.957 . 0 0 "[ . 1 . 2]" 1 1661 1 89 ILE HB 1 92 VAL MG2 . . 4.850 4.760 4.574 4.920 0.070 14 0 "[ . 1 . 2]" 1 1662 1 89 ILE HB 1 139 ALA MB . . 4.150 3.290 3.129 3.539 . 0 0 "[ . 1 . 2]" 1 1663 1 89 ILE HB 1 140 PHE HA . . 4.910 4.612 4.264 4.880 . 0 0 "[ . 1 . 2]" 1 1664 1 89 ILE HB 1 143 CYS HB2 . . 4.490 3.917 3.757 4.062 . 0 0 "[ . 1 . 2]" 1 1665 1 89 ILE MD 1 89 ILE MG . . 3.190 3.248 3.185 3.269 0.079 10 0 "[ . 1 . 2]" 1 1666 1 89 ILE MD 1 92 VAL H . . 5.040 4.812 4.631 4.943 . 0 0 "[ . 1 . 2]" 1 1667 1 89 ILE MD 1 92 VAL HB . . 4.120 3.140 2.800 3.344 . 0 0 "[ . 1 . 2]" 1 1668 1 89 ILE MD 1 139 ALA H . . 4.050 3.974 3.920 3.999 . 0 0 "[ . 1 . 2]" 1 1669 1 89 ILE MD 1 139 ALA MB . . 2.660 2.090 1.942 2.302 . 0 0 "[ . 1 . 2]" 1 1670 1 89 ILE MD 1 140 PHE H . . 4.250 2.884 2.319 3.292 . 0 0 "[ . 1 . 2]" 1 1671 1 89 ILE MD 1 140 PHE HA . . 4.020 3.404 2.937 3.653 . 0 0 "[ . 1 . 2]" 1 1672 1 89 ILE MD 1 140 PHE HB2 . . 3.900 3.284 2.720 3.480 . 0 0 "[ . 1 . 2]" 1 1673 1 89 ILE MD 1 140 PHE HB3 . . 4.670 4.663 4.112 4.801 0.131 6 0 "[ . 1 . 2]" 1 1674 1 89 ILE MD 1 140 PHE QD . . 3.740 2.348 1.984 2.999 . 0 0 "[ . 1 . 2]" 1 1675 1 89 ILE MD 1 140 PHE QE . . 4.500 3.720 3.168 4.126 . 0 0 "[ . 1 . 2]" 1 1676 1 89 ILE MD 1 143 CYS HB2 . . 4.750 4.662 4.496 4.827 0.077 16 0 "[ . 1 . 2]" 1 1677 1 89 ILE HG12 1 89 ILE MG . . 3.540 2.362 2.226 2.460 . 0 0 "[ . 1 . 2]" 1 1678 1 89 ILE HG12 1 140 PHE HA . . 4.280 2.183 1.972 2.464 . 0 0 "[ . 1 . 2]" 1 1679 1 89 ILE HG12 1 140 PHE QD . . 4.240 2.983 2.483 3.854 . 0 0 "[ . 1 . 2]" 1 1680 1 89 ILE HG12 1 143 CYS HB2 . . 4.860 3.381 3.034 3.614 . 0 0 "[ . 1 . 2]" 1 1681 1 89 ILE HG13 1 89 ILE MG . . 3.150 2.474 2.328 2.668 . 0 0 "[ . 1 . 2]" 1 1682 1 89 ILE HG13 1 140 PHE HA . . 4.450 2.777 2.103 3.326 . 0 0 "[ . 1 . 2]" 1 1683 1 89 ILE HG13 1 140 PHE HB2 . . 4.730 3.904 3.265 4.313 . 0 0 "[ . 1 . 2]" 1 1684 1 89 ILE HG13 1 140 PHE QD . . 4.390 1.990 1.921 2.922 . 0 0 "[ . 1 . 2]" 1 1685 1 89 ILE HG13 1 143 CYS HB2 . . 4.960 4.672 4.086 4.979 0.019 13 0 "[ . 1 . 2]" 1 1686 1 89 ILE MG 1 90 GLU H . . 3.330 2.326 1.954 2.555 . 0 0 "[ . 1 . 2]" 1 1687 1 89 ILE MG 1 90 GLU HA . . 3.220 3.028 2.924 3.136 . 0 0 "[ . 1 . 2]" 1 1688 1 89 ILE MG 1 90 GLU HB2 . . 4.280 4.201 3.989 4.366 0.086 10 0 "[ . 1 . 2]" 1 1689 1 89 ILE MG 1 90 GLU HB3 . . 4.720 4.681 4.480 4.843 0.123 3 0 "[ . 1 . 2]" 1 1690 1 89 ILE MG 1 90 GLU QG . . 3.700 2.777 2.467 2.918 . 0 0 "[ . 1 . 2]" 1 1691 1 89 ILE MG 1 91 LYS H . . 5.360 4.882 4.722 4.976 . 0 0 "[ . 1 . 2]" 1 1692 1 89 ILE MG 1 140 PHE H . . 5.090 4.964 4.757 5.014 . 0 0 "[ . 1 . 2]" 1 1693 1 89 ILE MG 1 140 PHE HA . . 3.810 3.213 2.717 3.454 . 0 0 "[ . 1 . 2]" 1 1694 1 89 ILE MG 1 140 PHE QD . . 3.790 3.932 3.855 3.978 0.188 19 0 "[ . 1 . 2]" 1 1695 1 89 ILE MG 1 143 CYS H . . 4.440 3.895 3.775 3.998 . 0 0 "[ . 1 . 2]" 1 1696 1 89 ILE MG 1 143 CYS HB2 . . 3.310 2.022 1.956 2.152 . 0 0 "[ . 1 . 2]" 1 1697 1 89 ILE MG 1 143 CYS HB3 . . 3.540 2.235 2.140 2.372 . 0 0 "[ . 1 . 2]" 1 1698 1 89 ILE MG 1 144 LEU H . . 4.350 4.374 4.196 4.456 0.106 13 0 "[ . 1 . 2]" 1 1699 1 90 GLU H 1 90 GLU HB2 . . 3.640 2.414 2.152 2.642 . 0 0 "[ . 1 . 2]" 1 1700 1 90 GLU H 1 90 GLU HB3 . . 3.660 3.530 3.450 3.552 . 0 0 "[ . 1 . 2]" 1 1701 1 90 GLU H 1 90 GLU QG . . 3.670 2.233 1.922 2.786 . 0 0 "[ . 1 . 2]" 1 1702 1 90 GLU H 1 91 LYS H . . 4.060 3.034 2.896 3.222 . 0 0 "[ . 1 . 2]" 1 1703 1 90 GLU H 1 92 VAL H . . 5.240 4.259 4.089 4.484 . 0 0 "[ . 1 . 2]" 1 1704 1 90 GLU H 1 92 VAL MG2 . . 5.500 4.666 4.437 4.855 . 0 0 "[ . 1 . 2]" 1 1705 1 90 GLU HA 1 90 GLU QG . . 3.140 2.876 2.685 3.036 . 0 0 "[ . 1 . 2]" 1 1706 1 90 GLU HA 1 92 VAL H . . 5.200 4.722 4.472 4.897 . 0 0 "[ . 1 . 2]" 1 1707 1 90 GLU HB2 1 91 LYS H . . 4.600 2.205 2.037 2.443 . 0 0 "[ . 1 . 2]" 1 1708 1 90 GLU HB2 1 92 VAL H . . 5.210 4.881 4.724 5.058 . 0 0 "[ . 1 . 2]" 1 1709 1 90 GLU HB3 1 91 LYS H . . 4.520 3.060 2.747 3.206 . 0 0 "[ . 1 . 2]" 1 1710 1 90 GLU QG 1 91 LYS H . . 4.460 3.967 3.785 4.178 . 0 0 "[ . 1 . 2]" 1 1711 1 91 LYS H 1 91 LYS HB2 . . 4.060 2.318 2.127 2.576 . 0 0 "[ . 1 . 2]" 1 1712 1 91 LYS H 1 91 LYS HB3 . . 3.810 3.493 3.433 3.548 . 0 0 "[ . 1 . 2]" 1 1713 1 91 LYS H 1 91 LYS HD2 . . 4.810 3.363 2.315 4.161 . 0 0 "[ . 1 . 2]" 1 1714 1 91 LYS H 1 91 LYS HD3 . . 4.590 2.859 2.251 3.369 . 0 0 "[ . 1 . 2]" 1 1715 1 91 LYS H 1 91 LYS HG2 . . 4.230 3.339 2.032 4.204 . 0 0 "[ . 1 . 2]" 1 1716 1 91 LYS H 1 91 LYS HG3 . . 4.220 3.410 3.091 3.595 . 0 0 "[ . 1 . 2]" 1 1717 1 91 LYS H 1 92 VAL H . . 3.710 2.985 2.894 3.092 . 0 0 "[ . 1 . 2]" 1 1718 1 91 LYS H 1 92 VAL MG2 . . 4.190 4.262 4.195 4.302 0.112 14 0 "[ . 1 . 2]" 1 1719 1 91 LYS HA 1 91 LYS HD2 . . 3.630 3.064 1.989 4.327 0.697 8 3 "[ -. + 1 . * 2]" 1 1720 1 91 LYS HA 1 91 LYS HD3 . . 4.160 3.268 2.099 4.283 0.123 9 0 "[ . 1 . 2]" 1 1721 1 91 LYS HA 1 91 LYS HG2 . . 3.990 3.227 3.075 3.310 . 0 0 "[ . 1 . 2]" 1 1722 1 91 LYS HA 1 91 LYS HG3 . . 3.750 2.647 1.997 3.631 . 0 0 "[ . 1 . 2]" 1 1723 1 91 LYS HB2 1 91 LYS HD2 . . 4.170 3.297 2.665 3.693 . 0 0 "[ . 1 . 2]" 1 1724 1 91 LYS HB2 1 91 LYS HD3 . . 3.840 2.907 2.158 3.863 0.023 10 0 "[ . 1 . 2]" 1 1725 1 91 LYS HB2 1 92 VAL H . . 3.560 2.655 2.364 2.843 . 0 0 "[ . 1 . 2]" 1 1726 1 91 LYS HB3 1 92 VAL H . . 4.710 3.279 3.050 3.705 . 0 0 "[ . 1 . 2]" 1 1727 1 91 LYS HB3 1 92 VAL MG2 . . 4.580 4.109 3.845 4.434 . 0 0 "[ . 1 . 2]" 1 1728 1 91 LYS HB3 1 109 CYS HA . . 4.880 3.531 3.281 3.960 . 0 0 "[ . 1 . 2]" 1 1729 1 91 LYS QE 1 91 LYS HG2 . . 3.920 2.530 2.221 2.845 . 0 0 "[ . 1 . 2]" 1 1730 1 92 VAL H 1 92 VAL HB . . 3.600 2.478 2.405 2.572 . 0 0 "[ . 1 . 2]" 1 1731 1 92 VAL H 1 92 VAL MG1 . . 4.250 3.709 3.698 3.716 . 0 0 "[ . 1 . 2]" 1 1732 1 92 VAL H 1 92 VAL MG2 . . 3.250 1.939 1.902 1.983 . 0 0 "[ . 1 . 2]" 1 1733 1 92 VAL H 1 93 SER H . . 5.290 4.405 4.281 4.624 . 0 0 "[ . 1 . 2]" 1 1734 1 92 VAL HA 1 92 VAL MG1 . . 3.530 2.495 2.460 2.552 . 0 0 "[ . 1 . 2]" 1 1735 1 92 VAL HA 1 92 VAL MG2 . . 3.520 2.323 2.288 2.369 . 0 0 "[ . 1 . 2]" 1 1736 1 92 VAL HA 1 94 PHE H . . 4.620 3.897 3.782 4.130 . 0 0 "[ . 1 . 2]" 1 1737 1 92 VAL HA 1 109 CYS HA . . 3.880 2.561 2.208 2.973 . 0 0 "[ . 1 . 2]" 1 1738 1 92 VAL HA 1 109 CYS HB2 . . 4.560 2.892 2.290 3.171 . 0 0 "[ . 1 . 2]" 1 1739 1 92 VAL HA 1 109 CYS HB3 . . 4.570 2.545 2.025 4.443 . 0 0 "[ . 1 . 2]" 1 1740 1 92 VAL HB 1 93 SER H . . 5.240 4.474 4.133 4.580 . 0 0 "[ . 1 . 2]" 1 1741 1 92 VAL HB 1 140 PHE QD . . 4.660 3.714 3.010 4.221 . 0 0 "[ . 1 . 2]" 1 1742 1 92 VAL HB 1 140 PHE QE . . 4.490 2.525 2.243 2.811 . 0 0 "[ . 1 . 2]" 1 1743 1 92 VAL HB 1 140 PHE HZ . . 4.650 4.667 4.198 4.751 0.101 12 0 "[ . 1 . 2]" 1 1744 1 92 VAL MG1 1 93 SER H . . 3.950 3.010 2.226 3.418 . 0 0 "[ . 1 . 2]" 1 1745 1 92 VAL MG1 1 94 PHE H . . 3.440 3.209 3.013 3.513 0.073 8 0 "[ . 1 . 2]" 1 1746 1 92 VAL MG1 1 95 CYS H . . 5.500 4.563 4.299 4.778 . 0 0 "[ . 1 . 2]" 1 1747 1 92 VAL MG1 1 95 CYS HB2 . . 4.630 4.229 3.966 4.544 . 0 0 "[ . 1 . 2]" 1 1748 1 92 VAL MG1 1 95 CYS HB3 . . 3.760 2.894 2.642 3.208 . 0 0 "[ . 1 . 2]" 1 1749 1 92 VAL MG1 1 107 TYR HB2 . . 3.820 2.636 2.472 2.819 . 0 0 "[ . 1 . 2]" 1 1750 1 92 VAL MG1 1 107 TYR HB3 . . 4.320 3.854 3.721 3.927 . 0 0 "[ . 1 . 2]" 1 1751 1 92 VAL MG1 1 107 TYR QD . . 3.580 3.162 2.885 3.440 . 0 0 "[ . 1 . 2]" 1 1752 1 92 VAL MG1 1 107 TYR QE . . 4.530 4.326 4.034 4.597 0.067 11 0 "[ . 1 . 2]" 1 1753 1 92 VAL MG1 1 108 ILE H . . 4.360 4.090 3.841 4.425 0.065 4 0 "[ . 1 . 2]" 1 1754 1 92 VAL MG1 1 109 CYS HA . . 4.980 4.463 4.122 4.828 . 0 0 "[ . 1 . 2]" 1 1755 1 92 VAL MG1 1 140 PHE QE . . 3.980 2.187 1.866 2.480 . 0 0 "[ . 1 . 2]" 1 1756 1 92 VAL MG1 1 140 PHE HZ . . 3.730 3.731 3.593 3.790 0.060 8 0 "[ . 1 . 2]" 1 1757 1 92 VAL MG2 1 93 SER H . . 4.480 4.141 3.990 4.227 . 0 0 "[ . 1 . 2]" 1 1758 1 92 VAL MG2 1 94 PHE H . . 5.260 5.161 5.105 5.191 . 0 0 "[ . 1 . 2]" 1 1759 1 92 VAL MG2 1 107 TYR QD . . 3.810 2.831 2.465 3.155 . 0 0 "[ . 1 . 2]" 1 1760 1 92 VAL MG2 1 107 TYR QE . . 3.870 2.786 2.449 3.212 . 0 0 "[ . 1 . 2]" 1 1761 1 92 VAL MG2 1 109 CYS HA . . 4.750 4.065 3.782 4.537 . 0 0 "[ . 1 . 2]" 1 1762 1 92 VAL MG2 1 109 CYS HB2 . . 4.240 3.115 2.723 3.477 . 0 0 "[ . 1 . 2]" 1 1763 1 92 VAL MG2 1 109 CYS HB3 . . 4.090 2.593 2.020 4.162 0.072 11 0 "[ . 1 . 2]" 1 1764 1 93 SER H 1 94 PHE H . . 3.740 2.291 1.873 2.616 . 0 0 "[ . 1 . 2]" 1 1765 1 93 SER H 1 108 ILE H . . 5.500 4.486 4.033 4.821 . 0 0 "[ . 1 . 2]" 1 1766 1 93 SER H 1 109 CYS HA . . 4.040 2.550 2.106 3.092 . 0 0 "[ . 1 . 2]" 1 1767 1 93 SER H 1 109 CYS HB2 . . 5.420 4.286 3.534 4.701 . 0 0 "[ . 1 . 2]" 1 1768 1 93 SER H 1 109 CYS HB3 . . 5.470 4.009 3.248 5.393 . 0 0 "[ . 1 . 2]" 1 1769 1 93 SER HB2 1 108 ILE MG . . 4.780 3.800 2.339 4.912 0.132 18 0 "[ . 1 . 2]" 1 1770 1 93 SER HB2 1 117 TRP HZ3 . . 4.610 3.836 1.994 4.543 . 0 0 "[ . 1 . 2]" 1 1771 1 93 SER HB3 1 94 PHE H . . 4.380 3.117 2.428 3.820 . 0 0 "[ . 1 . 2]" 1 1772 1 93 SER HB3 1 108 ILE MG . . 4.890 3.879 2.679 4.859 . 0 0 "[ . 1 . 2]" 1 1773 1 93 SER HB3 1 117 TRP HZ3 . . 4.490 4.196 2.130 4.678 0.188 12 0 "[ . 1 . 2]" 1 1774 1 94 PHE H 1 94 PHE QD . . 4.970 4.296 4.122 4.368 . 0 0 "[ . 1 . 2]" 1 1775 1 94 PHE H 1 108 ILE H . . 4.410 3.219 2.916 3.453 . 0 0 "[ . 1 . 2]" 1 1776 1 94 PHE H 1 108 ILE HA . . 5.190 4.917 4.666 5.084 . 0 0 "[ . 1 . 2]" 1 1777 1 94 PHE H 1 108 ILE HB . . 4.510 2.759 2.506 3.047 . 0 0 "[ . 1 . 2]" 1 1778 1 94 PHE H 1 108 ILE MD . . 5.000 4.413 4.095 4.922 . 0 0 "[ . 1 . 2]" 1 1779 1 94 PHE H 1 109 CYS HA . . 4.850 4.385 3.869 4.829 . 0 0 "[ . 1 . 2]" 1 1780 1 94 PHE HB2 1 95 CYS H . . 4.970 4.049 3.934 4.132 . 0 0 "[ . 1 . 2]" 1 1781 1 94 PHE HB2 1 108 ILE H . . 5.390 5.023 4.554 5.281 . 0 0 "[ . 1 . 2]" 1 1782 1 94 PHE HB2 1 108 ILE HB . . 4.550 4.008 3.555 4.542 . 0 0 "[ . 1 . 2]" 1 1783 1 94 PHE HB2 1 108 ILE MD . . 4.120 4.059 3.699 4.206 0.086 12 0 "[ . 1 . 2]" 1 1784 1 94 PHE HB3 1 95 CYS H . . 5.220 3.823 3.695 3.996 . 0 0 "[ . 1 . 2]" 1 1785 1 94 PHE HB3 1 108 ILE H . . 5.040 3.477 2.935 3.820 . 0 0 "[ . 1 . 2]" 1 1786 1 94 PHE HB3 1 108 ILE HB . . 4.500 2.638 2.080 3.233 . 0 0 "[ . 1 . 2]" 1 1787 1 94 PHE HB3 1 108 ILE MD . . 3.900 2.922 2.653 3.195 . 0 0 "[ . 1 . 2]" 1 1788 1 94 PHE HB3 1 108 ILE MG . . 4.420 3.943 3.456 4.482 0.062 20 0 "[ . 1 . 2]" 1 1789 1 94 PHE QD 1 95 CYS H . . 4.600 2.767 2.179 3.207 . 0 0 "[ . 1 . 2]" 1 1790 1 94 PHE QD 1 96 ALA MB . . 4.240 3.647 3.242 3.928 . 0 0 "[ . 1 . 2]" 1 1791 1 94 PHE QD 1 108 ILE MD . . 3.920 2.879 2.185 3.465 . 0 0 "[ . 1 . 2]" 1 1792 1 94 PHE QE 1 96 ALA MB . . 4.010 2.340 1.830 2.835 . 0 0 "[ . 1 . 2]" 1 1793 1 94 PHE HZ 1 95 CYS H . . 5.040 4.815 4.605 4.943 . 0 0 "[ . 1 . 2]" 1 1794 1 94 PHE HZ 1 96 ALA MB . . 3.250 2.648 1.973 3.195 . 0 0 "[ . 1 . 2]" 1 1795 1 95 CYS H 1 96 ALA H . . 5.170 3.997 3.874 4.160 . 0 0 "[ . 1 . 2]" 1 1796 1 95 CYS H 1 96 ALA MB . . 4.410 4.083 3.871 4.388 . 0 0 "[ . 1 . 2]" 1 1797 1 95 CYS HA 1 96 ALA MB . . 4.310 3.958 3.859 4.029 . 0 0 "[ . 1 . 2]" 1 1798 1 95 CYS HA 1 107 TYR HA . . 3.850 2.236 2.004 2.459 . 0 0 "[ . 1 . 2]" 1 1799 1 95 CYS HA 1 107 TYR HB3 . . 4.810 3.317 2.785 3.813 . 0 0 "[ . 1 . 2]" 1 1800 1 95 CYS HA 1 108 ILE H . . 4.690 3.218 3.015 3.512 . 0 0 "[ . 1 . 2]" 1 1801 1 95 CYS HB2 1 96 ALA H . . 4.300 3.539 3.269 3.706 . 0 0 "[ . 1 . 2]" 1 1802 1 95 CYS HB2 1 105 PHE QE . . 3.710 2.352 2.105 2.686 . 0 0 "[ . 1 . 2]" 1 1803 1 95 CYS HB2 1 105 PHE HZ . . 4.730 3.385 2.771 3.756 . 0 0 "[ . 1 . 2]" 1 1804 1 95 CYS HB2 1 107 TYR HA . . 4.460 3.903 3.345 4.229 . 0 0 "[ . 1 . 2]" 1 1805 1 95 CYS HB2 1 107 TYR HB2 . . 4.740 3.368 3.128 3.552 . 0 0 "[ . 1 . 2]" 1 1806 1 95 CYS HB2 1 107 TYR QD . . 4.970 4.673 4.337 5.044 0.074 5 0 "[ . 1 . 2]" 1 1807 1 95 CYS HB2 1 108 ILE H . . 5.440 5.246 4.976 5.485 0.045 4 0 "[ . 1 . 2]" 1 1808 1 95 CYS HB2 1 136 VAL MG2 . . 4.410 2.836 2.024 3.392 . 0 0 "[ . 1 . 2]" 1 1809 1 95 CYS HB3 1 96 ALA H . . 4.240 4.247 4.051 4.323 0.083 3 0 "[ . 1 . 2]" 1 1810 1 95 CYS HB3 1 105 PHE QE . . 3.840 3.765 3.515 3.904 0.064 5 0 "[ . 1 . 2]" 1 1811 1 95 CYS HB3 1 105 PHE HZ . . 4.690 3.924 3.656 4.349 . 0 0 "[ . 1 . 2]" 1 1812 1 95 CYS HB3 1 107 TYR HA . . 4.230 3.374 2.973 3.653 . 0 0 "[ . 1 . 2]" 1 1813 1 95 CYS HB3 1 107 TYR HB2 . . 4.140 2.047 1.981 2.261 . 0 0 "[ . 1 . 2]" 1 1814 1 95 CYS HB3 1 107 TYR QD . . 4.810 4.080 3.839 4.252 . 0 0 "[ . 1 . 2]" 1 1815 1 95 CYS HB3 1 136 VAL MG2 . . 3.930 2.787 2.475 3.268 . 0 0 "[ . 1 . 2]" 1 1816 1 96 ALA H 1 96 ALA MB . . 3.590 2.478 2.328 2.622 . 0 0 "[ . 1 . 2]" 1 1817 1 96 ALA H 1 97 PRO HD2 . . 5.190 4.977 4.959 4.989 . 0 0 "[ . 1 . 2]" 1 1818 1 96 ALA H 1 105 PHE QE . . 4.690 4.299 3.691 4.600 . 0 0 "[ . 1 . 2]" 1 1819 1 96 ALA MB 1 97 PRO HD2 . . 3.460 2.234 2.135 2.379 . 0 0 "[ . 1 . 2]" 1 1820 1 96 ALA MB 1 97 PRO HD3 . . 3.260 2.983 2.896 3.070 . 0 0 "[ . 1 . 2]" 1 1821 1 96 ALA MB 1 97 PRO QG . . 3.840 3.920 3.882 3.979 0.139 20 0 "[ . 1 . 2]" 1 1822 1 97 PRO HA 1 105 PHE HA . . 3.860 3.457 2.911 3.799 . 0 0 "[ . 1 . 2]" 1 1823 1 97 PRO HA 1 105 PHE HB2 . . 4.620 4.068 3.341 4.672 0.052 4 0 "[ . 1 . 2]" 1 1824 1 97 PRO HA 1 105 PHE QD . . 4.450 3.007 2.329 3.429 . 0 0 "[ . 1 . 2]" 1 1825 1 97 PRO HA 1 106 SER H . . 4.490 4.169 3.638 4.405 . 0 0 "[ . 1 . 2]" 1 1826 1 97 PRO HB2 1 98 ASP H . . 4.070 1.966 1.937 2.053 . 0 0 "[ . 1 . 2]" 1 1827 1 97 PRO HB2 1 130 GLU HA . . 4.490 3.694 3.061 4.481 . 0 0 "[ . 1 . 2]" 1 1828 1 97 PRO QG 1 98 ASP H . . 4.760 3.645 2.221 3.881 . 0 0 "[ . 1 . 2]" 1 1829 1 97 PRO QG 1 130 GLU HA . . 4.010 3.635 2.873 4.033 0.023 18 0 "[ . 1 . 2]" 1 1830 1 97 PRO QG 1 133 SER HB2 . . 4.480 3.792 3.139 4.565 0.085 8 0 "[ . 1 . 2]" 1 1831 1 97 PRO QG 1 133 SER HB3 . . 4.500 3.657 2.842 4.329 . 0 0 "[ . 1 . 2]" 1 1832 1 98 ASP HB2 1 99 ARG H . . 4.320 2.611 1.982 4.157 . 0 0 "[ . 1 . 2]" 1 1833 1 98 ASP HB2 1 100 ASN H . . 5.500 3.857 2.532 5.413 . 0 0 "[ . 1 . 2]" 1 1834 1 98 ASP HB2 1 104 ALA MB . . 3.390 2.959 2.494 3.437 0.047 1 0 "[ . 1 . 2]" 1 1835 1 98 ASP HB3 1 99 ARG H . . 4.680 3.274 2.007 3.740 . 0 0 "[ . 1 . 2]" 1 1836 1 98 ASP HB3 1 100 ASN H . . 5.240 4.557 2.828 5.369 0.129 7 0 "[ . 1 . 2]" 1 1837 1 98 ASP HB3 1 104 ALA MB . . 3.330 2.980 2.292 3.440 0.110 18 0 "[ . 1 . 2]" 1 1838 1 99 ARG H 1 99 ARG QB . . 3.750 2.807 2.342 3.478 . 0 0 "[ . 1 . 2]" 1 1839 1 99 ARG H 1 99 ARG QD . . 5.500 4.818 4.035 5.391 . 0 0 "[ . 1 . 2]" 1 1840 1 99 ARG H 1 99 ARG QG . . 3.830 3.414 1.949 3.925 0.095 2 0 "[ . 1 . 2]" 1 1841 1 99 ARG H 1 100 ASN H . . 4.150 2.020 1.874 2.658 . 0 0 "[ . 1 . 2]" 1 1842 1 99 ARG H 1 101 PHE H . . 4.310 3.258 2.600 3.671 . 0 0 "[ . 1 . 2]" 1 1843 1 99 ARG H 1 101 PHE HB2 . . 5.500 4.991 4.164 5.505 0.005 20 0 "[ . 1 . 2]" 1 1844 1 99 ARG HA 1 99 ARG QG . . 3.220 2.499 1.973 3.337 0.117 12 0 "[ . 1 . 2]" 1 1845 1 99 ARG QB 1 100 ASN H . . 4.640 3.060 2.498 4.100 . 0 0 "[ . 1 . 2]" 1 1846 1 100 ASN H 1 100 ASN HB2 . . 4.080 2.756 2.528 3.001 . 0 0 "[ . 1 . 2]" 1 1847 1 100 ASN H 1 100 ASN HB3 . . 4.120 3.646 3.530 3.955 . 0 0 "[ . 1 . 2]" 1 1848 1 100 ASN H 1 100 ASN HD21 . . 5.500 3.384 2.623 3.992 . 0 0 "[ . 1 . 2]" 1 1849 1 100 ASN H 1 100 ASN HD22 . . 5.140 3.852 3.200 4.909 . 0 0 "[ . 1 . 2]" 1 1850 1 100 ASN H 1 101 PHE H . . 3.420 2.526 1.886 3.078 . 0 0 "[ . 1 . 2]" 1 1851 1 100 ASN H 1 101 PHE QD . . 4.670 3.516 3.089 3.983 . 0 0 "[ . 1 . 2]" 1 1852 1 100 ASN HA 1 101 PHE QD . . 5.020 5.027 4.951 5.070 0.050 5 0 "[ . 1 . 2]" 1 1853 1 100 ASN HB2 1 101 PHE QD . . 4.300 2.836 2.641 3.027 . 0 0 "[ . 1 . 2]" 1 1854 1 100 ASN HB3 1 100 ASN HD22 . . 4.130 3.927 3.753 4.030 . 0 0 "[ . 1 . 2]" 1 1855 1 100 ASN HB3 1 101 PHE H . . 4.390 3.707 3.530 4.166 . 0 0 "[ . 1 . 2]" 1 1856 1 100 ASN HB3 1 101 PHE QD . . 4.160 4.321 4.192 4.422 0.262 20 0 "[ . 1 . 2]" 1 1857 1 100 ASN HD21 1 101 PHE QD . . 5.500 3.566 2.880 4.161 . 0 0 "[ . 1 . 2]" 1 1858 1 100 ASN HD21 1 101 PHE HZ . . 4.560 4.106 3.645 4.567 0.007 2 0 "[ . 1 . 2]" 1 1859 1 100 ASN HD22 1 101 PHE H . . 5.500 5.295 4.941 5.528 0.028 18 0 "[ . 1 . 2]" 1 1860 1 101 PHE H 1 101 PHE HB2 . . 4.160 2.545 2.488 2.624 . 0 0 "[ . 1 . 2]" 1 1861 1 101 PHE H 1 101 PHE HB3 . . 3.880 3.539 3.511 3.629 . 0 0 "[ . 1 . 2]" 1 1862 1 101 PHE H 1 101 PHE QD . . 3.830 1.982 1.930 2.418 . 0 0 "[ . 1 . 2]" 1 1863 1 101 PHE H 1 104 ALA MB . . 4.180 3.566 3.184 4.024 . 0 0 "[ . 1 . 2]" 1 1864 1 101 PHE H 1 123 MET ME . . 4.810 4.874 4.722 4.953 0.143 18 0 "[ . 1 . 2]" 1 1865 1 101 PHE HA 1 101 PHE QD . . 3.740 3.130 3.012 3.173 . 0 0 "[ . 1 . 2]" 1 1866 1 101 PHE HA 1 102 ASP HB2 . . 4.860 4.464 4.176 4.863 0.003 17 0 "[ . 1 . 2]" 1 1867 1 101 PHE HA 1 103 ARG H . . 4.920 4.459 4.115 4.726 . 0 0 "[ . 1 . 2]" 1 1868 1 101 PHE HA 1 104 ALA MB . . 4.600 4.409 4.236 4.603 0.003 20 0 "[ . 1 . 2]" 1 1869 1 101 PHE HA 1 123 MET ME . . 4.740 4.173 3.979 4.406 . 0 0 "[ . 1 . 2]" 1 1870 1 101 PHE HB2 1 102 ASP H . . 4.530 3.059 2.677 3.536 . 0 0 "[ . 1 . 2]" 1 1871 1 101 PHE HB2 1 103 ARG H . . 4.830 3.160 2.668 3.529 . 0 0 "[ . 1 . 2]" 1 1872 1 101 PHE HB2 1 104 ALA H . . 4.560 3.131 2.897 3.397 . 0 0 "[ . 1 . 2]" 1 1873 1 101 PHE HB2 1 104 ALA MB . . 3.450 1.933 1.806 2.075 . 0 0 "[ . 1 . 2]" 1 1874 1 101 PHE HB2 1 123 MET ME . . 3.430 2.948 2.738 3.088 . 0 0 "[ . 1 . 2]" 1 1875 1 101 PHE HB3 1 102 ASP H . . 3.650 2.288 1.979 2.650 . 0 0 "[ . 1 . 2]" 1 1876 1 101 PHE HB3 1 103 ARG H . . 4.440 2.947 2.629 3.120 . 0 0 "[ . 1 . 2]" 1 1877 1 101 PHE HB3 1 104 ALA H . . 4.480 4.342 4.065 4.422 . 0 0 "[ . 1 . 2]" 1 1878 1 101 PHE HB3 1 104 ALA MB . . 3.380 2.620 2.277 2.909 . 0 0 "[ . 1 . 2]" 1 1879 1 101 PHE HB3 1 123 MET ME . . 3.600 2.212 2.038 2.339 . 0 0 "[ . 1 . 2]" 1 1880 1 101 PHE QD 1 102 ASP H . . 4.340 4.117 3.973 4.228 . 0 0 "[ . 1 . 2]" 1 1881 1 101 PHE QD 1 103 ARG H . . 4.910 4.782 4.560 4.947 0.037 20 0 "[ . 1 . 2]" 1 1882 1 101 PHE QD 1 104 ALA MB . . 3.830 2.354 1.978 2.822 . 0 0 "[ . 1 . 2]" 1 1883 1 101 PHE QD 1 123 MET ME . . 3.490 2.752 2.444 3.088 . 0 0 "[ . 1 . 2]" 1 1884 1 102 ASP H 1 102 ASP HB2 . . 3.870 2.309 2.005 3.044 . 0 0 "[ . 1 . 2]" 1 1885 1 102 ASP H 1 103 ARG H . . 4.120 2.155 1.897 2.705 . 0 0 "[ . 1 . 2]" 1 1886 1 102 ASP H 1 123 MET ME . . 4.610 3.230 2.722 3.862 . 0 0 "[ . 1 . 2]" 1 1887 1 102 ASP HB2 1 103 ARG H . . 4.710 3.211 2.699 4.140 . 0 0 "[ . 1 . 2]" 1 1888 1 102 ASP HB2 1 103 ARG HG2 . . 4.530 3.817 3.178 5.080 0.550 9 1 "[ . +1 . 2]" 1 1889 1 102 ASP HB3 1 103 ARG H . . 4.570 3.145 2.588 4.009 . 0 0 "[ . 1 . 2]" 1 1890 1 103 ARG H 1 103 ARG HB2 . . 4.140 3.868 3.687 4.036 . 0 0 "[ . 1 . 2]" 1 1891 1 103 ARG H 1 103 ARG HB3 . . 3.660 3.421 3.237 3.612 . 0 0 "[ . 1 . 2]" 1 1892 1 103 ARG H 1 103 ARG QD . . 4.170 4.125 3.714 4.258 0.088 20 0 "[ . 1 . 2]" 1 1893 1 103 ARG H 1 103 ARG HG2 . . 3.390 2.138 1.946 2.514 . 0 0 "[ . 1 . 2]" 1 1894 1 103 ARG H 1 104 ALA H . . 3.660 3.292 3.088 3.487 . 0 0 "[ . 1 . 2]" 1 1895 1 103 ARG H 1 104 ALA MB . . 4.380 3.479 3.278 3.695 . 0 0 "[ . 1 . 2]" 1 1896 1 103 ARG H 1 123 MET ME . . 4.230 2.587 2.286 2.974 . 0 0 "[ . 1 . 2]" 1 1897 1 103 ARG H 1 124 ALA H . . 5.500 5.420 4.940 5.530 0.030 15 0 "[ . 1 . 2]" 1 1898 1 103 ARG H 1 124 ALA MB . . 5.420 4.909 4.670 5.014 . 0 0 "[ . 1 . 2]" 1 1899 1 103 ARG H 1 129 GLY H . . 5.200 4.880 4.624 5.088 . 0 0 "[ . 1 . 2]" 1 1900 1 103 ARG HA 1 103 ARG QD . . 4.610 4.273 4.161 4.589 . 0 0 "[ . 1 . 2]" 1 1901 1 103 ARG HA 1 103 ARG HG2 . . 3.700 3.574 3.547 3.592 . 0 0 "[ . 1 . 2]" 1 1902 1 103 ARG HA 1 123 MET ME . . 4.670 4.267 4.030 4.839 0.169 18 0 "[ . 1 . 2]" 1 1903 1 103 ARG HA 1 124 ALA H . . 4.820 4.411 4.053 4.757 . 0 0 "[ . 1 . 2]" 1 1904 1 103 ARG HA 1 129 GLY H . . 3.490 2.183 1.949 2.515 . 0 0 "[ . 1 . 2]" 1 1905 1 103 ARG HA 1 129 GLY HA3 . . 4.490 3.689 3.209 4.347 . 0 0 "[ . 1 . 2]" 1 1906 1 103 ARG HB2 1 104 ALA H . . 4.330 4.258 4.046 4.352 0.022 8 0 "[ . 1 . 2]" 1 1907 1 103 ARG HB2 1 124 ALA H . . 4.210 2.839 2.575 3.228 . 0 0 "[ . 1 . 2]" 1 1908 1 103 ARG HB2 1 124 ALA MB . . 3.700 1.825 1.768 1.928 . 0 0 "[ . 1 . 2]" 1 1909 1 103 ARG HB2 1 129 GLY H . . 5.130 3.740 2.586 4.777 . 0 0 "[ . 1 . 2]" 1 1910 1 103 ARG HB3 1 103 ARG QD . . 2.720 2.185 2.015 2.626 . 0 0 "[ . 1 . 2]" 1 1911 1 103 ARG HB3 1 124 ALA H . . 4.570 4.505 4.299 4.645 0.075 18 0 "[ . 1 . 2]" 1 1912 1 103 ARG QD 1 124 ALA H . . 4.780 4.371 3.940 4.754 . 0 0 "[ . 1 . 2]" 1 1913 1 103 ARG QD 1 124 ALA MB . . 4.090 2.712 2.020 3.530 . 0 0 "[ . 1 . 2]" 1 1914 1 103 ARG HG3 1 104 ALA H . . 4.920 4.974 4.793 5.012 0.092 14 0 "[ . 1 . 2]" 1 1915 1 104 ALA H 1 104 ALA MB . . 3.220 2.511 2.361 2.582 . 0 0 "[ . 1 . 2]" 1 1916 1 104 ALA H 1 105 PHE H . . 4.650 3.998 3.853 4.349 . 0 0 "[ . 1 . 2]" 1 1917 1 104 ALA H 1 123 MET HA . . 5.260 4.918 4.780 5.179 . 0 0 "[ . 1 . 2]" 1 1918 1 104 ALA H 1 123 MET ME . . 4.290 3.562 3.205 4.374 0.084 18 0 "[ . 1 . 2]" 1 1919 1 104 ALA H 1 129 GLY H . . 5.230 3.368 2.884 3.867 . 0 0 "[ . 1 . 2]" 1 1920 1 104 ALA H 1 129 GLY HA3 . . 4.980 3.364 2.916 3.733 . 0 0 "[ . 1 . 2]" 1 1921 1 104 ALA HA 1 105 PHE H . . 3.400 2.217 2.187 2.239 . 0 0 "[ . 1 . 2]" 1 1922 1 104 ALA HA 1 123 MET H . . 5.410 4.914 4.789 5.136 . 0 0 "[ . 1 . 2]" 1 1923 1 104 ALA HA 1 123 MET HA . . 3.650 2.513 2.341 2.623 . 0 0 "[ . 1 . 2]" 1 1924 1 104 ALA HA 1 123 MET ME . . 4.250 2.742 2.284 3.495 . 0 0 "[ . 1 . 2]" 1 1925 1 104 ALA HA 1 123 MET HG2 . . 4.770 3.001 2.840 4.164 . 0 0 "[ . 1 . 2]" 1 1926 1 104 ALA HA 1 123 MET HG3 . . 4.600 4.682 4.577 4.773 0.173 18 0 "[ . 1 . 2]" 1 1927 1 104 ALA HA 1 124 ALA H . . 4.360 3.523 3.237 3.677 . 0 0 "[ . 1 . 2]" 1 1928 1 104 ALA MB 1 105 PHE H . . 3.340 3.492 3.027 3.588 0.248 19 0 "[ . 1 . 2]" 1 1929 1 104 ALA MB 1 123 MET HA . . 3.830 3.776 3.540 3.902 0.072 6 0 "[ . 1 . 2]" 1 1930 1 104 ALA MB 1 123 MET ME . . 3.240 1.850 1.694 2.236 . 0 0 "[ . 1 . 2]" 1 1931 1 104 ALA MB 1 123 MET HG2 . . 4.540 3.042 2.689 3.863 . 0 0 "[ . 1 . 2]" 1 1932 1 104 ALA MB 1 123 MET HG3 . . 4.240 4.199 3.939 4.334 0.094 8 0 "[ . 1 . 2]" 1 1933 1 104 ALA MB 1 124 ALA H . . 4.900 4.879 4.512 4.997 0.097 1 0 "[ . 1 . 2]" 1 1934 1 105 PHE H 1 105 PHE QD . . 4.720 3.899 3.801 4.038 . 0 0 "[ . 1 . 2]" 1 1935 1 105 PHE H 1 106 SER H . . 5.170 4.426 4.259 4.534 . 0 0 "[ . 1 . 2]" 1 1936 1 105 PHE H 1 122 PHE H . . 4.430 2.969 2.627 3.171 . 0 0 "[ . 1 . 2]" 1 1937 1 105 PHE H 1 122 PHE HA . . 5.410 4.850 4.608 5.009 . 0 0 "[ . 1 . 2]" 1 1938 1 105 PHE H 1 122 PHE HB2 . . 4.250 3.568 3.331 3.923 . 0 0 "[ . 1 . 2]" 1 1939 1 105 PHE H 1 122 PHE HB3 . . 5.080 4.752 4.546 5.007 . 0 0 "[ . 1 . 2]" 1 1940 1 105 PHE H 1 122 PHE QD . . 5.230 4.789 4.484 5.103 . 0 0 "[ . 1 . 2]" 1 1941 1 105 PHE H 1 123 MET H . . 5.160 4.935 4.794 5.051 . 0 0 "[ . 1 . 2]" 1 1942 1 105 PHE H 1 123 MET HA . . 3.940 3.398 3.141 3.598 . 0 0 "[ . 1 . 2]" 1 1943 1 105 PHE H 1 123 MET ME . . 5.100 4.652 4.291 5.137 0.037 18 0 "[ . 1 . 2]" 1 1944 1 105 PHE H 1 124 ALA H . . 5.210 3.705 3.480 4.470 . 0 0 "[ . 1 . 2]" 1 1945 1 105 PHE HA 1 105 PHE QD . . 3.990 2.793 2.563 3.070 . 0 0 "[ . 1 . 2]" 1 1946 1 105 PHE HA 1 106 SER H . . 3.600 2.230 2.193 2.330 . 0 0 "[ . 1 . 2]" 1 1947 1 105 PHE HB2 1 106 SER H . . 4.640 4.107 3.860 4.330 . 0 0 "[ . 1 . 2]" 1 1948 1 105 PHE HB2 1 129 GLY HA2 . . 4.420 2.273 1.993 2.702 . 0 0 "[ . 1 . 2]" 1 1949 1 105 PHE HB2 1 129 GLY HA3 . . 4.340 2.878 2.203 3.274 . 0 0 "[ . 1 . 2]" 1 1950 1 105 PHE HB2 1 132 LEU HB2 . . 4.700 2.547 2.180 3.117 . 0 0 "[ . 1 . 2]" 1 1951 1 105 PHE HB2 1 132 LEU MD1 . . 4.690 3.453 2.882 4.483 . 0 0 "[ . 1 . 2]" 1 1952 1 105 PHE HB2 1 132 LEU MD2 . . 4.020 3.137 2.800 3.466 . 0 0 "[ . 1 . 2]" 1 1953 1 105 PHE HB3 1 106 SER H . . 4.910 4.401 4.193 4.557 . 0 0 "[ . 1 . 2]" 1 1954 1 105 PHE HB3 1 122 PHE HB3 . . 4.890 4.364 3.925 4.679 . 0 0 "[ . 1 . 2]" 1 1955 1 105 PHE HB3 1 122 PHE QD . . 4.780 4.362 3.983 4.804 0.024 18 0 "[ . 1 . 2]" 1 1956 1 105 PHE HB3 1 129 GLY HA2 . . 4.850 3.227 2.712 3.695 . 0 0 "[ . 1 . 2]" 1 1957 1 105 PHE HB3 1 129 GLY HA3 . . 4.730 4.188 3.468 4.767 0.037 4 0 "[ . 1 . 2]" 1 1958 1 105 PHE HB3 1 132 LEU MD2 . . 3.840 2.177 1.957 2.488 . 0 0 "[ . 1 . 2]" 1 1959 1 105 PHE QD 1 106 SER H . . 4.330 3.049 2.761 3.366 . 0 0 "[ . 1 . 2]" 1 1960 1 105 PHE QD 1 106 SER HA . . 4.860 4.089 3.785 4.336 . 0 0 "[ . 1 . 2]" 1 1961 1 105 PHE QD 1 122 PHE HB2 . . 4.350 2.173 2.005 2.372 . 0 0 "[ . 1 . 2]" 1 1962 1 105 PHE QD 1 122 PHE HB3 . . 4.720 3.562 3.360 3.767 . 0 0 "[ . 1 . 2]" 1 1963 1 105 PHE QD 1 122 PHE QD . . 3.930 2.987 2.156 3.699 . 0 0 "[ . 1 . 2]" 1 1964 1 105 PHE QD 1 129 GLY HA3 . . 5.130 4.481 4.026 4.907 . 0 0 "[ . 1 . 2]" 1 1965 1 105 PHE QD 1 132 LEU HB2 . . 4.560 3.481 2.995 3.949 . 0 0 "[ . 1 . 2]" 1 1966 1 105 PHE QD 1 132 LEU HB3 . . 4.660 2.840 2.542 3.146 . 0 0 "[ . 1 . 2]" 1 1967 1 105 PHE QD 1 132 LEU MD1 . . 4.530 4.246 3.993 4.558 0.028 7 0 "[ . 1 . 2]" 1 1968 1 105 PHE QD 1 132 LEU MD2 . . 3.520 2.148 1.938 2.487 . 0 0 "[ . 1 . 2]" 1 1969 1 105 PHE QD 1 132 LEU HG . . 4.870 4.529 4.167 4.873 0.003 1 0 "[ . 1 . 2]" 1 1970 1 105 PHE QD 1 133 SER H . . 4.950 3.876 3.335 4.314 . 0 0 "[ . 1 . 2]" 1 1971 1 105 PHE QD 1 133 SER HA . . 4.050 3.528 3.308 3.795 . 0 0 "[ . 1 . 2]" 1 1972 1 105 PHE QD 1 133 SER HB3 . . 3.730 3.429 2.810 3.902 0.172 9 0 "[ . 1 . 2]" 1 1973 1 105 PHE QD 1 136 VAL MG1 . . 4.890 3.925 3.655 4.827 . 0 0 "[ . 1 . 2]" 1 1974 1 105 PHE QE 1 122 PHE HB2 . . 4.370 4.092 3.760 4.345 . 0 0 "[ . 1 . 2]" 1 1975 1 105 PHE QE 1 133 SER HA . . 3.630 2.546 2.136 2.879 . 0 0 "[ . 1 . 2]" 1 1976 1 105 PHE QE 1 133 SER HB2 . . 3.980 3.464 2.478 3.797 . 0 0 "[ . 1 . 2]" 1 1977 1 105 PHE QE 1 136 VAL H . . 5.170 4.661 4.390 5.028 . 0 0 "[ . 1 . 2]" 1 1978 1 105 PHE QE 1 136 VAL HB . . 5.010 3.506 3.169 4.364 . 0 0 "[ . 1 . 2]" 1 1979 1 105 PHE QE 1 136 VAL MG1 . . 3.220 2.241 1.958 3.102 . 0 0 "[ . 1 . 2]" 1 1980 1 105 PHE QE 1 136 VAL MG2 . . 4.390 3.201 2.122 3.572 . 0 0 "[ . 1 . 2]" 1 1981 1 105 PHE HZ 1 136 VAL HB . . 4.390 2.596 2.124 3.780 . 0 0 "[ . 1 . 2]" 1 1982 1 105 PHE HZ 1 136 VAL MG1 . . 4.130 2.199 1.930 2.441 . 0 0 "[ . 1 . 2]" 1 1983 1 105 PHE HZ 1 136 VAL MG2 . . 3.760 2.358 1.942 2.638 . 0 0 "[ . 1 . 2]" 1 1984 1 106 SER H 1 107 TYR H . . 5.230 4.396 4.337 4.450 . 0 0 "[ . 1 . 2]" 1 1985 1 106 SER HA 1 107 TYR H . . 3.450 2.399 2.322 2.501 . 0 0 "[ . 1 . 2]" 1 1986 1 106 SER HA 1 120 HIS H . . 5.000 4.674 4.523 5.072 0.072 18 0 "[ . 1 . 2]" 1 1987 1 106 SER HA 1 121 CYS HA . . 3.780 2.106 1.991 2.275 . 0 0 "[ . 1 . 2]" 1 1988 1 106 SER HA 1 122 PHE H . . 4.550 3.382 3.157 3.609 . 0 0 "[ . 1 . 2]" 1 1989 1 106 SER HA 1 122 PHE QD . . 4.070 2.730 2.449 3.295 . 0 0 "[ . 1 . 2]" 1 1990 1 106 SER QB 1 107 TYR H . . 3.970 2.939 2.455 3.559 . 0 0 "[ . 1 . 2]" 1 1991 1 106 SER QB 1 119 CYS HG . . 4.160 2.877 2.158 3.831 . 0 0 "[ . 1 . 2]" 1 1992 1 106 SER QB 1 121 CYS HA . . 4.540 2.098 1.920 2.663 . 0 0 "[ . 1 . 2]" 1 1993 1 107 TYR H 1 107 TYR QD . . 4.510 3.140 3.015 3.290 . 0 0 "[ . 1 . 2]" 1 1994 1 107 TYR H 1 107 TYR QE . . 5.170 4.447 4.296 4.625 . 0 0 "[ . 1 . 2]" 1 1995 1 107 TYR H 1 108 ILE H . . 5.500 4.401 4.301 4.457 . 0 0 "[ . 1 . 2]" 1 1996 1 107 TYR H 1 119 CYS HG . . 4.700 3.838 2.879 4.619 . 0 0 "[ . 1 . 2]" 1 1997 1 107 TYR H 1 120 HIS H . . 4.030 2.846 2.559 3.172 . 0 0 "[ . 1 . 2]" 1 1998 1 107 TYR H 1 120 HIS HB3 . . 4.830 4.526 4.004 4.781 . 0 0 "[ . 1 . 2]" 1 1999 1 107 TYR H 1 121 CYS HA . . 4.440 3.748 3.601 3.946 . 0 0 "[ . 1 . 2]" 1 2000 1 107 TYR H 1 122 PHE QE . . 4.730 3.731 3.337 4.312 . 0 0 "[ . 1 . 2]" 1 2001 1 107 TYR HB2 1 108 ILE H . . 4.320 2.974 2.705 3.245 . 0 0 "[ . 1 . 2]" 1 2002 1 107 TYR HB3 1 108 ILE H . . 4.380 4.165 4.007 4.345 . 0 0 "[ . 1 . 2]" 1 2003 1 107 TYR QD 1 107 TYR HH . . 4.430 4.363 4.317 4.388 . 0 0 "[ . 1 . 2]" 1 2004 1 107 TYR QD 1 108 ILE H . . 4.260 3.288 3.101 3.436 . 0 0 "[ . 1 . 2]" 1 2005 1 107 TYR QD 1 108 ILE HA . . 4.150 3.423 3.264 3.497 . 0 0 "[ . 1 . 2]" 1 2006 1 107 TYR QD 1 108 ILE MG . . 4.300 4.705 4.612 4.799 0.499 15 0 "[ . 1 . 2]" 1 2007 1 107 TYR QD 1 109 CYS H . . 5.440 4.017 3.880 4.131 . 0 0 "[ . 1 . 2]" 1 2008 1 107 TYR QD 1 109 CYS HB2 . . 4.330 4.231 2.961 4.385 0.055 10 0 "[ . 1 . 2]" 1 2009 1 107 TYR QD 1 109 CYS HB3 . . 4.300 2.609 2.482 3.300 . 0 0 "[ . 1 . 2]" 1 2010 1 107 TYR QD 1 120 HIS H . . 5.410 3.712 3.350 4.065 . 0 0 "[ . 1 . 2]" 1 2011 1 107 TYR QD 1 122 PHE QE . . 3.590 2.839 2.005 3.181 . 0 0 "[ . 1 . 2]" 1 2012 1 107 TYR QD 1 122 PHE HZ . . 4.650 4.611 4.174 4.684 0.034 7 0 "[ . 1 . 2]" 1 2013 1 107 TYR QE 1 107 TYR HH . . 3.220 2.509 2.315 2.619 . 0 0 "[ . 1 . 2]" 1 2014 1 107 TYR QE 1 109 CYS H . . 5.120 4.552 4.317 4.920 . 0 0 "[ . 1 . 2]" 1 2015 1 107 TYR QE 1 109 CYS HB2 . . 4.230 3.374 2.384 3.960 . 0 0 "[ . 1 . 2]" 1 2016 1 107 TYR QE 1 109 CYS HB3 . . 3.920 2.202 1.988 2.710 . 0 0 "[ . 1 . 2]" 1 2017 1 107 TYR QE 1 120 HIS H . . 5.110 3.996 3.653 4.394 . 0 0 "[ . 1 . 2]" 1 2018 1 107 TYR QE 1 120 HIS HB2 . . 4.210 2.870 2.664 3.084 . 0 0 "[ . 1 . 2]" 1 2019 1 107 TYR QE 1 120 HIS HB3 . . 3.970 3.467 3.130 3.931 . 0 0 "[ . 1 . 2]" 1 2020 1 107 TYR QE 1 122 PHE QE . . 3.460 2.122 1.974 2.395 . 0 0 "[ . 1 . 2]" 1 2021 1 107 TYR QE 1 122 PHE HZ . . 3.620 2.519 2.333 2.787 . 0 0 "[ . 1 . 2]" 1 2022 1 107 TYR HH 1 120 HIS HB2 . . 4.860 2.612 2.153 3.389 . 0 0 "[ . 1 . 2]" 1 2023 1 107 TYR HH 1 120 HIS HD2 . . 3.820 3.389 2.525 3.809 . 0 0 "[ . 1 . 2]" 1 2024 1 107 TYR HH 1 120 HIS HE1 . . 5.140 4.412 3.616 4.841 . 0 0 "[ . 1 . 2]" 1 2025 1 107 TYR HH 1 122 PHE HZ . . 5.280 2.952 2.021 4.392 . 0 0 "[ . 1 . 2]" 1 2026 1 108 ILE H 1 108 ILE HB . . 4.070 2.441 2.276 2.554 . 0 0 "[ . 1 . 2]" 1 2027 1 108 ILE H 1 108 ILE MD . . 4.310 3.770 3.635 3.928 . 0 0 "[ . 1 . 2]" 1 2028 1 108 ILE H 1 108 ILE QG . . 4.730 2.360 2.109 2.755 . 0 0 "[ . 1 . 2]" 1 2029 1 108 ILE H 1 108 ILE MG . . 4.250 3.742 3.649 3.774 . 0 0 "[ . 1 . 2]" 1 2030 1 108 ILE H 1 109 CYS H . . 5.060 4.591 4.555 4.606 . 0 0 "[ . 1 . 2]" 1 2031 1 108 ILE HA 1 108 ILE MD . . 4.020 3.778 3.735 3.841 . 0 0 "[ . 1 . 2]" 1 2032 1 108 ILE HA 1 108 ILE MG . . 3.410 2.417 2.336 2.502 . 0 0 "[ . 1 . 2]" 1 2033 1 108 ILE HA 1 109 CYS H . . 3.540 2.301 2.279 2.334 . 0 0 "[ . 1 . 2]" 1 2034 1 108 ILE HA 1 118 ILE H . . 5.160 4.968 4.451 5.081 . 0 0 "[ . 1 . 2]" 1 2035 1 108 ILE HB 1 109 CYS H . . 4.850 3.976 3.830 4.123 . 0 0 "[ . 1 . 2]" 1 2036 1 108 ILE MD 1 108 ILE MG . . 3.060 1.919 1.852 2.166 . 0 0 "[ . 1 . 2]" 1 2037 1 108 ILE MD 1 109 CYS H . . 4.840 4.774 4.732 4.855 0.015 20 0 "[ . 1 . 2]" 1 2038 1 108 ILE MG 1 109 CYS H . . 3.540 2.039 1.909 2.277 . 0 0 "[ . 1 . 2]" 1 2039 1 108 ILE MG 1 109 CYS HA . . 4.580 3.385 3.218 3.577 . 0 0 "[ . 1 . 2]" 1 2040 1 108 ILE MG 1 117 TRP HA . . 4.330 4.297 3.890 4.487 0.157 20 0 "[ . 1 . 2]" 1 2041 1 108 ILE MG 1 117 TRP HB2 . . 4.200 4.055 2.971 4.285 0.085 18 0 "[ . 1 . 2]" 1 2042 1 108 ILE MG 1 117 TRP HB3 . . 3.750 3.023 2.380 3.228 . 0 0 "[ . 1 . 2]" 1 2043 1 108 ILE MG 1 117 TRP HE3 . . 3.660 3.150 2.009 3.454 . 0 0 "[ . 1 . 2]" 1 2044 1 108 ILE MG 1 117 TRP HZ3 . . 4.840 4.486 3.249 4.857 0.017 18 0 "[ . 1 . 2]" 1 2045 1 108 ILE MG 1 118 ILE H . . 4.180 3.773 3.328 4.176 . 0 0 "[ . 1 . 2]" 1 2046 1 108 ILE MG 1 120 HIS H . . 5.500 5.316 5.036 5.506 0.006 10 0 "[ . 1 . 2]" 1 2047 1 109 CYS H 1 117 TRP HA . . 5.250 4.583 4.246 4.832 . 0 0 "[ . 1 . 2]" 1 2048 1 109 CYS H 1 118 ILE H . . 4.330 3.144 2.599 3.331 . 0 0 "[ . 1 . 2]" 1 2049 1 109 CYS H 1 118 ILE HB . . 4.890 4.659 4.192 4.981 0.091 16 0 "[ . 1 . 2]" 1 2050 1 109 CYS H 1 118 ILE MG . . 5.140 4.733 4.442 5.211 0.071 13 0 "[ . 1 . 2]" 1 2051 1 109 CYS H 1 119 CYS HA . . 4.850 3.263 2.946 3.946 . 0 0 "[ . 1 . 2]" 1 2052 1 109 CYS H 1 120 HIS H . . 5.270 4.780 4.572 5.119 . 0 0 "[ . 1 . 2]" 1 2053 1 109 CYS HB2 1 110 ARG H . . 4.120 2.819 2.362 3.932 . 0 0 "[ . 1 . 2]" 1 2054 1 109 CYS HB3 1 110 ARG H . . 4.400 4.072 3.820 4.301 . 0 0 "[ . 1 . 2]" 1 2055 1 110 ARG H 1 110 ARG HB2 . . 4.130 2.731 2.388 3.587 . 0 0 "[ . 1 . 2]" 1 2056 1 110 ARG H 1 117 TRP HE3 . . 5.310 4.241 3.166 4.754 . 0 0 "[ . 1 . 2]" 1 2057 1 110 ARG H 1 117 TRP HZ3 . . 5.100 4.673 3.224 4.994 . 0 0 "[ . 1 . 2]" 1 2058 1 110 ARG HA 1 110 ARG HD2 . . 4.310 4.070 2.732 4.945 0.635 4 1 "[ +. 1 . 2]" 1 2059 1 110 ARG HA 1 111 ASP HB2 . . 5.000 4.396 4.025 4.642 . 0 0 "[ . 1 . 2]" 1 2060 1 110 ARG HA 1 111 ASP HB3 . . 5.030 4.863 4.578 5.297 0.267 20 0 "[ . 1 . 2]" 1 2061 1 110 ARG HA 1 117 TRP HA . . 4.310 2.175 1.989 2.541 . 0 0 "[ . 1 . 2]" 1 2062 1 110 ARG HA 1 117 TRP HE3 . . 4.480 3.120 2.898 3.345 . 0 0 "[ . 1 . 2]" 1 2063 1 110 ARG HA 1 117 TRP HZ3 . . 4.970 4.576 4.252 4.896 . 0 0 "[ . 1 . 2]" 1 2064 1 110 ARG HA 1 118 ILE H . . 4.880 3.094 2.770 3.875 . 0 0 "[ . 1 . 2]" 1 2065 1 110 ARG HB2 1 117 TRP HE3 . . 4.590 3.219 2.826 4.227 . 0 0 "[ . 1 . 2]" 1 2066 1 110 ARG HB2 1 117 TRP HZ3 . . 4.390 3.046 2.581 4.548 0.158 4 0 "[ . 1 . 2]" 1 2067 1 110 ARG HB3 1 117 TRP HZ3 . . 4.780 4.480 3.086 4.851 0.071 10 0 "[ . 1 . 2]" 1 2068 1 110 ARG HG2 1 111 ASP H . . 5.390 3.915 1.949 5.752 0.362 4 0 "[ . 1 . 2]" 1 2069 1 111 ASP H 1 111 ASP HB2 . . 3.920 2.195 2.044 2.575 . 0 0 "[ . 1 . 2]" 1 2070 1 111 ASP H 1 111 ASP HB3 . . 3.860 2.883 2.604 3.233 . 0 0 "[ . 1 . 2]" 1 2071 1 111 ASP H 1 116 ARG H . . 4.610 3.973 3.401 4.535 . 0 0 "[ . 1 . 2]" 1 2072 1 111 ASP H 1 117 TRP HA . . 4.890 2.725 1.965 3.117 . 0 0 "[ . 1 . 2]" 1 2073 1 111 ASP H 1 118 ILE H . . 5.250 2.718 2.420 4.345 . 0 0 "[ . 1 . 2]" 1 2074 1 111 ASP HB2 1 112 GLY H . . 5.500 4.262 3.882 4.635 . 0 0 "[ . 1 . 2]" 1 2075 1 111 ASP HB2 1 116 ARG H . . 4.280 3.779 3.214 4.204 . 0 0 "[ . 1 . 2]" 1 2076 1 111 ASP HB2 1 118 ILE HB . . 4.720 2.551 1.994 4.084 . 0 0 "[ . 1 . 2]" 1 2077 1 111 ASP HB2 1 118 ILE MD . . 4.000 3.709 3.250 4.106 0.106 20 0 "[ . 1 . 2]" 1 2078 1 111 ASP HB2 1 118 ILE HG12 . . 4.470 2.431 2.086 2.863 . 0 0 "[ . 1 . 2]" 1 2079 1 111 ASP HB2 1 118 ILE HG13 . . 4.530 2.232 1.983 3.678 . 0 0 "[ . 1 . 2]" 1 2080 1 111 ASP HB3 1 112 GLY H . . 5.160 3.729 3.230 4.285 . 0 0 "[ . 1 . 2]" 1 2081 1 111 ASP HB3 1 116 ARG H . . 4.480 2.537 1.945 3.657 . 0 0 "[ . 1 . 2]" 1 2082 1 111 ASP HB3 1 118 ILE MD . . 4.380 4.464 4.427 4.565 0.185 20 0 "[ . 1 . 2]" 1 2083 1 111 ASP HB3 1 118 ILE HG12 . . 4.230 3.448 3.124 3.812 . 0 0 "[ . 1 . 2]" 1 2084 1 111 ASP HB3 1 118 ILE HG13 . . 4.310 3.297 2.959 4.294 . 0 0 "[ . 1 . 2]" 1 2085 1 112 GLY H 1 113 THR H . . 4.290 2.628 1.957 3.998 . 0 0 "[ . 1 . 2]" 1 2086 1 112 GLY HA3 1 113 THR MG . . 4.610 4.132 3.647 4.893 0.283 19 0 "[ . 1 . 2]" 1 2087 1 113 THR H 1 113 THR HB . . 3.740 3.415 2.366 3.748 0.008 10 0 "[ . 1 . 2]" 1 2088 1 113 THR H 1 113 THR MG . . 3.950 2.456 1.913 3.277 . 0 0 "[ . 1 . 2]" 1 2089 1 113 THR H 1 114 THR H . . 3.590 2.467 1.885 2.956 . 0 0 "[ . 1 . 2]" 1 2090 1 113 THR H 1 115 ARG H . . 5.490 3.615 2.040 5.448 . 0 0 "[ . 1 . 2]" 1 2091 1 113 THR HA 1 113 THR MG . . 3.160 2.647 2.130 3.245 0.085 12 0 "[ . 1 . 2]" 1 2092 1 113 THR HB 1 114 THR H . . 3.780 3.662 3.307 3.869 0.089 9 0 "[ . 1 . 2]" 1 2093 1 114 THR H 1 116 ARG H . . 4.650 4.004 3.627 4.322 . 0 0 "[ . 1 . 2]" 1 2094 1 114 THR HB 1 115 ARG H . . 3.660 2.977 1.953 3.853 0.193 12 0 "[ . 1 . 2]" 1 2095 1 114 THR HB 1 115 ARG HA . . 5.380 4.938 4.359 5.394 0.014 20 0 "[ . 1 . 2]" 1 2096 1 114 THR HB 1 116 ARG HB3 . . 4.820 4.516 3.745 4.908 0.088 15 0 "[ . 1 . 2]" 1 2097 1 114 THR HB 1 116 ARG HD2 . . 4.940 4.032 3.548 4.759 . 0 0 "[ . 1 . 2]" 1 2098 1 114 THR HB 1 116 ARG HG2 . . 3.610 2.603 1.999 3.182 . 0 0 "[ . 1 . 2]" 1 2099 1 114 THR MG 1 115 ARG H . . 4.980 3.502 1.973 4.229 . 0 0 "[ . 1 . 2]" 1 2100 1 114 THR MG 1 115 ARG HA . . 4.860 4.769 3.908 5.127 0.267 12 0 "[ . 1 . 2]" 1 2101 1 114 THR MG 1 116 ARG H . . 4.510 3.848 3.277 4.178 . 0 0 "[ . 1 . 2]" 1 2102 1 114 THR MG 1 116 ARG HD2 . . 4.440 3.209 1.770 4.484 0.044 20 0 "[ . 1 . 2]" 1 2103 1 115 ARG H 1 115 ARG QD . . 4.200 4.015 3.604 4.362 0.162 12 0 "[ . 1 . 2]" 1 2104 1 115 ARG H 1 115 ARG HG2 . . 4.210 3.432 2.599 4.295 0.085 10 0 "[ . 1 . 2]" 1 2105 1 115 ARG H 1 115 ARG HG3 . . 4.290 3.424 2.478 4.346 0.056 12 0 "[ . 1 . 2]" 1 2106 1 115 ARG H 1 116 ARG H . . 3.740 2.531 1.979 3.029 . 0 0 "[ . 1 . 2]" 1 2107 1 115 ARG HA 1 115 ARG HG2 . . 3.760 3.076 2.317 3.869 0.109 7 0 "[ . 1 . 2]" 1 2108 1 115 ARG HA 1 115 ARG HG3 . . 3.550 3.314 2.443 3.889 0.339 19 0 "[ . 1 . 2]" 1 2109 1 115 ARG HB3 1 116 ARG H . . 4.980 4.555 4.387 4.739 . 0 0 "[ . 1 . 2]" 1 2110 1 115 ARG QD 1 115 ARG HG2 . . 2.650 2.378 2.183 2.573 . 0 0 "[ . 1 . 2]" 1 2111 1 115 ARG QD 1 116 ARG H . . 5.500 5.231 4.756 5.688 0.188 12 0 "[ . 1 . 2]" 1 2112 1 116 ARG H 1 116 ARG HB2 . . 4.140 3.911 3.713 4.005 . 0 0 "[ . 1 . 2]" 1 2113 1 116 ARG H 1 116 ARG HB3 . . 3.870 3.341 2.868 3.565 . 0 0 "[ . 1 . 2]" 1 2114 1 116 ARG H 1 116 ARG HD2 . . 4.840 4.827 4.060 5.078 0.238 15 0 "[ . 1 . 2]" 1 2115 1 116 ARG H 1 116 ARG HD3 . . 4.950 4.815 4.635 5.065 0.115 9 0 "[ . 1 . 2]" 1 2116 1 116 ARG H 1 116 ARG HG2 . . 3.400 3.004 2.189 3.955 0.555 20 1 "[ . 1 . +]" 1 2117 1 116 ARG H 1 116 ARG HG3 . . 4.020 2.663 2.345 3.346 . 0 0 "[ . 1 . 2]" 1 2118 1 116 ARG H 1 117 TRP H . . 4.880 4.345 4.296 4.384 . 0 0 "[ . 1 . 2]" 1 2119 1 116 ARG HA 1 116 ARG HE . . 5.100 4.691 4.354 5.044 . 0 0 "[ . 1 . 2]" 1 2120 1 116 ARG HA 1 117 TRP H . . 3.380 2.781 2.593 2.878 . 0 0 "[ . 1 . 2]" 1 2121 1 116 ARG HA 1 117 TRP HD1 . . 4.490 3.736 2.440 4.329 . 0 0 "[ . 1 . 2]" 1 2122 1 116 ARG HA 1 117 TRP HE1 . . 5.310 4.602 4.075 5.026 . 0 0 "[ . 1 . 2]" 1 2123 1 116 ARG HB2 1 117 TRP H . . 3.930 2.019 1.943 2.313 . 0 0 "[ . 1 . 2]" 1 2124 1 116 ARG HB2 1 117 TRP HD1 . . 5.080 3.656 3.346 3.896 . 0 0 "[ . 1 . 2]" 1 2125 1 116 ARG HB3 1 116 ARG HE . . 5.090 3.257 3.017 4.884 . 0 0 "[ . 1 . 2]" 1 2126 1 116 ARG HB3 1 117 TRP H . . 3.960 3.560 3.476 3.749 . 0 0 "[ . 1 . 2]" 1 2127 1 116 ARG HD2 1 118 ILE MD . . 4.570 2.504 1.842 4.123 . 0 0 "[ . 1 . 2]" 1 2128 1 116 ARG HD3 1 116 ARG HG3 . . 2.870 2.430 2.269 2.906 0.036 20 0 "[ . 1 . 2]" 1 2129 1 116 ARG HD3 1 117 TRP H . . 4.590 3.407 2.599 4.661 0.071 9 0 "[ . 1 . 2]" 1 2130 1 116 ARG HD3 1 118 ILE MD . . 4.450 2.422 1.960 2.984 . 0 0 "[ . 1 . 2]" 1 2131 1 116 ARG HE 1 116 ARG HG2 . . 4.200 3.610 3.344 3.987 . 0 0 "[ . 1 . 2]" 1 2132 1 116 ARG HE 1 116 ARG HG3 . . 4.170 3.608 2.690 3.943 . 0 0 "[ . 1 . 2]" 1 2133 1 116 ARG HE 1 117 TRP H . . 4.790 3.492 2.652 4.033 . 0 0 "[ . 1 . 2]" 1 2134 1 116 ARG HE 1 117 TRP HD1 . . 5.030 4.845 4.046 5.266 0.236 20 0 "[ . 1 . 2]" 1 2135 1 116 ARG HG2 1 118 ILE MD . . 3.770 3.823 3.386 4.329 0.559 17 1 "[ . 1 . + 2]" 1 2136 1 117 TRP H 1 117 TRP HB3 . . 4.050 3.661 3.585 3.759 . 0 0 "[ . 1 . 2]" 1 2137 1 117 TRP H 1 117 TRP HD1 . . 4.560 2.423 2.002 2.716 . 0 0 "[ . 1 . 2]" 1 2138 1 117 TRP H 1 118 ILE H . . 5.070 4.485 4.340 4.556 . 0 0 "[ . 1 . 2]" 1 2139 1 117 TRP H 1 118 ILE MD . . 5.320 4.803 4.370 5.231 . 0 0 "[ . 1 . 2]" 1 2140 1 117 TRP HA 1 117 TRP HD1 . . 5.050 4.234 3.301 4.500 . 0 0 "[ . 1 . 2]" 1 2141 1 117 TRP HA 1 117 TRP HE3 . . 4.130 3.255 2.872 4.324 0.194 20 0 "[ . 1 . 2]" 1 2142 1 117 TRP HA 1 118 ILE HB . . 4.880 4.420 4.313 4.498 . 0 0 "[ . 1 . 2]" 1 2143 1 117 TRP HB2 1 117 TRP HE1 . . 5.170 4.975 4.937 5.119 . 0 0 "[ . 1 . 2]" 1 2144 1 117 TRP HB2 1 117 TRP HE3 . . 4.060 3.991 3.573 4.094 0.034 6 0 "[ . 1 . 2]" 1 2145 1 117 TRP HB2 1 118 ILE H . . 4.530 4.035 3.355 4.346 . 0 0 "[ . 1 . 2]" 1 2146 1 117 TRP HB3 1 118 ILE H . . 4.810 3.278 2.566 3.683 . 0 0 "[ . 1 . 2]" 1 2147 1 117 TRP HE3 1 118 ILE H . . 4.660 4.401 3.833 4.686 0.026 20 0 "[ . 1 . 2]" 1 2148 1 118 ILE H 1 118 ILE HB . . 3.770 2.608 2.432 2.704 . 0 0 "[ . 1 . 2]" 1 2149 1 118 ILE H 1 118 ILE MD . . 4.310 4.169 3.835 4.321 0.011 3 0 "[ . 1 . 2]" 1 2150 1 118 ILE H 1 118 ILE HG12 . . 4.460 3.169 2.771 3.342 . 0 0 "[ . 1 . 2]" 1 2151 1 118 ILE H 1 118 ILE HG13 . . 4.230 4.196 3.893 4.340 0.110 4 0 "[ . 1 . 2]" 1 2152 1 118 ILE HB 1 118 ILE MD . . 3.420 3.183 3.128 3.200 . 0 0 "[ . 1 . 2]" 1 2153 1 118 ILE HB 1 119 CYS H . . 4.960 4.134 3.898 4.361 . 0 0 "[ . 1 . 2]" 1 2154 1 118 ILE MD 1 118 ILE MG . . 2.940 1.883 1.786 1.961 . 0 0 "[ . 1 . 2]" 1 2155 1 118 ILE MD 1 119 CYS H . . 4.290 3.341 3.134 3.657 . 0 0 "[ . 1 . 2]" 1 2156 1 118 ILE HG12 1 118 ILE MG . . 3.410 3.221 3.176 3.240 . 0 0 "[ . 1 . 2]" 1 2157 1 118 ILE HG12 1 119 CYS H . . 5.050 4.814 4.688 4.991 . 0 0 "[ . 1 . 2]" 1 2158 1 118 ILE HG13 1 118 ILE MG . . 3.600 2.525 2.422 2.725 . 0 0 "[ . 1 . 2]" 1 2159 1 118 ILE MG 1 119 CYS H . . 3.470 2.234 2.021 2.521 . 0 0 "[ . 1 . 2]" 1 2160 1 118 ILE MG 1 119 CYS HA . . 4.520 3.660 3.465 3.896 . 0 0 "[ . 1 . 2]" 1 2161 1 118 ILE MG 1 120 HIS HD2 . . 3.920 2.615 1.980 3.415 . 0 0 "[ . 1 . 2]" 1 2162 1 118 ILE MG 1 120 HIS HE1 . . 4.380 3.831 3.162 4.406 0.026 9 0 "[ . 1 . 2]" 1 2163 1 119 CYS H 1 119 CYS HG . . 5.250 4.590 4.178 4.995 . 0 0 "[ . 1 . 2]" 1 2164 1 119 CYS HA 1 119 CYS HG . . 4.220 3.399 2.728 3.914 . 0 0 "[ . 1 . 2]" 1 2165 1 119 CYS HA 1 120 HIS H . . 3.460 2.266 2.230 2.319 . 0 0 "[ . 1 . 2]" 1 2166 1 119 CYS HA 1 120 HIS HB2 . . 4.910 4.461 4.275 4.643 . 0 0 "[ . 1 . 2]" 1 2167 1 119 CYS HB3 1 120 HIS H . . 4.950 4.115 3.810 4.340 . 0 0 "[ . 1 . 2]" 1 2168 1 119 CYS HG 1 120 HIS H . . 4.370 3.278 2.344 4.107 . 0 0 "[ . 1 . 2]" 1 2169 1 120 HIS H 1 120 HIS HB2 . . 4.160 2.439 2.257 2.644 . 0 0 "[ . 1 . 2]" 1 2170 1 120 HIS H 1 120 HIS HB3 . . 4.080 3.626 3.520 3.751 . 0 0 "[ . 1 . 2]" 1 2171 1 120 HIS H 1 120 HIS HD2 . . 4.300 3.124 2.605 3.736 . 0 0 "[ . 1 . 2]" 1 2172 1 120 HIS H 1 121 CYS H . . 5.220 4.455 4.326 4.541 . 0 0 "[ . 1 . 2]" 1 2173 1 120 HIS HA 1 121 CYS H . . 3.640 2.248 2.186 2.450 . 0 0 "[ . 1 . 2]" 1 2174 1 120 HIS HB2 1 120 HIS HD2 . . 3.820 2.964 2.777 3.277 . 0 0 "[ . 1 . 2]" 1 2175 1 120 HIS HB2 1 122 PHE QE . . 4.390 2.458 2.087 3.212 . 0 0 "[ . 1 . 2]" 1 2176 1 120 HIS HB2 1 122 PHE HZ . . 4.750 3.463 3.047 3.954 . 0 0 "[ . 1 . 2]" 1 2177 1 120 HIS HB3 1 121 CYS H . . 3.950 3.207 2.604 3.654 . 0 0 "[ . 1 . 2]" 1 2178 1 120 HIS HB3 1 122 PHE QE . . 4.190 2.219 1.986 3.527 . 0 0 "[ . 1 . 2]" 1 2179 1 121 CYS H 1 121 CYS HB2 . . 3.930 2.785 2.659 3.034 . 0 0 "[ . 1 . 2]" 1 2180 1 121 CYS H 1 122 PHE H . . 5.500 4.491 4.360 4.550 . 0 0 "[ . 1 . 2]" 1 2181 1 121 CYS H 1 122 PHE QE . . 5.430 4.181 3.663 4.792 . 0 0 "[ . 1 . 2]" 1 2182 1 121 CYS HA 1 122 PHE QD . . 4.570 2.894 2.632 3.759 . 0 0 "[ . 1 . 2]" 1 2183 1 121 CYS HB2 1 122 PHE H . . 4.580 3.702 3.553 4.042 . 0 0 "[ . 1 . 2]" 1 2184 1 121 CYS HB3 1 122 PHE H . . 5.230 2.876 2.731 3.521 . 0 0 "[ . 1 . 2]" 1 2185 1 122 PHE H 1 122 PHE QD . . 4.300 2.836 2.527 3.518 . 0 0 "[ . 1 . 2]" 1 2186 1 122 PHE H 1 123 MET H . . 5.450 4.135 4.006 4.328 . 0 0 "[ . 1 . 2]" 1 2187 1 122 PHE HA 1 122 PHE QD . . 4.350 3.098 2.563 3.217 . 0 0 "[ . 1 . 2]" 1 2188 1 122 PHE HA 1 123 MET H . . 3.450 2.199 2.193 2.228 . 0 0 "[ . 1 . 2]" 1 2189 1 122 PHE HB2 1 123 MET H . . 4.600 4.314 4.163 4.416 . 0 0 "[ . 1 . 2]" 1 2190 1 122 PHE HB3 1 123 MET H . . 4.160 3.539 3.294 3.711 . 0 0 "[ . 1 . 2]" 1 2191 1 122 PHE QD 1 123 MET H . . 4.710 4.551 4.257 4.657 . 0 0 "[ . 1 . 2]" 1 2192 1 123 MET H 1 123 MET HB2 . . 3.850 2.109 2.061 2.175 . 0 0 "[ . 1 . 2]" 1 2193 1 123 MET H 1 123 MET HB3 . . 3.920 3.305 3.244 3.441 . 0 0 "[ . 1 . 2]" 1 2194 1 123 MET H 1 123 MET HG2 . . 4.960 3.583 3.085 3.789 . 0 0 "[ . 1 . 2]" 1 2195 1 123 MET H 1 123 MET HG3 . . 4.820 4.004 3.780 4.172 . 0 0 "[ . 1 . 2]" 1 2196 1 123 MET H 1 124 ALA H . . 5.220 4.217 4.134 4.590 . 0 0 "[ . 1 . 2]" 1 2197 1 123 MET HA 1 123 MET ME . . 4.010 3.261 2.964 3.692 . 0 0 "[ . 1 . 2]" 1 2198 1 123 MET HA 1 123 MET HG2 . . 4.080 2.223 2.094 2.921 . 0 0 "[ . 1 . 2]" 1 2199 1 123 MET HA 1 123 MET HG3 . . 3.900 3.517 3.447 3.608 . 0 0 "[ . 1 . 2]" 1 2200 1 123 MET HA 1 124 ALA H . . 3.540 2.257 2.233 2.285 . 0 0 "[ . 1 . 2]" 1 2201 1 123 MET HA 1 124 ALA MB . . 3.820 3.912 3.895 3.930 0.110 1 0 "[ . 1 . 2]" 1 2202 1 123 MET HA 1 132 LEU MD2 . . 4.660 4.660 4.183 4.749 0.089 20 0 "[ . 1 . 2]" 1 2203 1 123 MET HB2 1 124 ALA H . . 4.570 4.685 4.296 4.717 0.147 4 0 "[ . 1 . 2]" 1 2204 1 123 MET HB3 1 124 ALA H . . 4.080 4.035 3.143 4.137 0.057 15 0 "[ . 1 . 2]" 1 2205 1 123 MET ME 1 123 MET HG2 . . 3.110 2.230 2.055 3.121 0.011 18 0 "[ . 1 . 2]" 1 2206 1 123 MET ME 1 123 MET HG3 . . 3.060 2.755 1.960 3.000 . 0 0 "[ . 1 . 2]" 1 2207 1 123 MET ME 1 124 ALA H . . 4.530 4.405 3.896 4.611 0.081 3 0 "[ . 1 . 2]" 1 2208 1 123 MET HG2 1 124 ALA H . . 4.740 4.396 4.213 4.868 0.128 18 0 "[ . 1 . 2]" 1 2209 1 124 ALA H 1 124 ALA MB . . 3.210 1.968 1.944 2.072 . 0 0 "[ . 1 . 2]" 1 2210 1 124 ALA H 1 125 VAL H . . 5.500 4.668 4.630 4.675 . 0 0 "[ . 1 . 2]" 1 2211 1 124 ALA HA 1 125 VAL HB . . 4.760 4.505 4.464 4.560 . 0 0 "[ . 1 . 2]" 1 2212 1 124 ALA HA 1 125 VAL MG2 . . 3.630 3.648 3.474 3.724 0.094 19 0 "[ . 1 . 2]" 1 2213 1 124 ALA HA 1 126 LYS H . . 5.170 4.761 4.483 5.031 . 0 0 "[ . 1 . 2]" 1 2214 1 124 ALA HA 1 132 LEU MD2 . . 4.260 3.179 2.900 3.408 . 0 0 "[ . 1 . 2]" 1 2215 1 124 ALA MB 1 125 VAL H . . 4.120 2.803 2.629 2.980 . 0 0 "[ . 1 . 2]" 1 2216 1 124 ALA MB 1 127 ASP H . . 3.490 2.463 2.208 3.291 . 0 0 "[ . 1 . 2]" 1 2217 1 124 ALA MB 1 127 ASP HB2 . . 3.740 2.359 2.026 3.515 . 0 0 "[ . 1 . 2]" 1 2218 1 124 ALA MB 1 127 ASP HB3 . . 4.160 3.443 2.175 4.099 . 0 0 "[ . 1 . 2]" 1 2219 1 124 ALA MB 1 128 THR H . . 4.650 3.922 3.438 4.439 . 0 0 "[ . 1 . 2]" 1 2220 1 124 ALA MB 1 132 LEU MD1 . . 3.300 1.877 1.760 2.136 . 0 0 "[ . 1 . 2]" 1 2221 1 124 ALA MB 1 132 LEU MD2 . . 3.280 2.801 2.306 3.161 . 0 0 "[ . 1 . 2]" 1 2222 1 124 ALA MB 1 132 LEU HG . . 4.640 3.976 3.787 4.535 . 0 0 "[ . 1 . 2]" 1 2223 1 125 VAL H 1 125 VAL HB . . 3.830 2.274 2.218 2.319 . 0 0 "[ . 1 . 2]" 1 2224 1 125 VAL H 1 125 VAL MG1 . . 3.770 3.672 3.643 3.698 . 0 0 "[ . 1 . 2]" 1 2225 1 125 VAL H 1 125 VAL MG2 . . 3.180 2.649 2.446 2.879 . 0 0 "[ . 1 . 2]" 1 2226 1 125 VAL H 1 126 LYS H . . 4.310 2.561 2.396 2.767 . 0 0 "[ . 1 . 2]" 1 2227 1 125 VAL H 1 127 ASP H . . 5.000 3.388 2.710 3.832 . 0 0 "[ . 1 . 2]" 1 2228 1 125 VAL HA 1 125 VAL MG1 . . 3.060 2.495 2.435 2.549 . 0 0 "[ . 1 . 2]" 1 2229 1 125 VAL HA 1 125 VAL MG2 . . 2.910 2.276 2.169 2.377 . 0 0 "[ . 1 . 2]" 1 2230 1 125 VAL HA 1 126 LYS QB . . 5.150 4.878 4.828 5.010 . 0 0 "[ . 1 . 2]" 1 2231 1 125 VAL HA 1 126 LYS QG . . 4.460 4.992 4.623 5.235 0.775 14 12 "[** *.** 1**-+.** *]" 1 2232 1 125 VAL HA 1 127 ASP H . . 4.870 4.611 4.497 4.921 0.051 6 0 "[ . 1 . 2]" 1 2233 1 125 VAL HB 1 126 LYS H . . 4.180 2.290 2.123 2.416 . 0 0 "[ . 1 . 2]" 1 2234 1 125 VAL MG1 1 126 LYS H . . 3.770 2.863 2.605 3.088 . 0 0 "[ . 1 . 2]" 1 2235 1 125 VAL MG1 1 126 LYS HA . . 4.180 3.767 3.587 3.863 . 0 0 "[ . 1 . 2]" 1 2236 1 125 VAL MG1 1 126 LYS QB . . 3.570 2.806 2.543 3.035 . 0 0 "[ . 1 . 2]" 1 2237 1 125 VAL MG1 1 126 LYS QD . . 4.180 2.972 2.531 3.671 . 0 0 "[ . 1 . 2]" 1 2238 1 125 VAL MG1 1 126 LYS QG . . 3.200 2.741 2.409 3.065 . 0 0 "[ . 1 . 2]" 1 2239 1 125 VAL MG1 1 127 ASP H . . 4.980 4.723 4.229 4.995 0.015 11 0 "[ . 1 . 2]" 1 2240 1 125 VAL MG2 1 126 LYS H . . 3.960 3.851 3.761 3.913 . 0 0 "[ . 1 . 2]" 1 2241 1 126 LYS H 1 126 LYS QB . . 3.800 3.055 2.862 3.194 . 0 0 "[ . 1 . 2]" 1 2242 1 126 LYS H 1 126 LYS QG . . 4.190 2.027 1.925 2.151 . 0 0 "[ . 1 . 2]" 1 2243 1 126 LYS H 1 127 ASP H . . 3.680 2.569 1.884 3.021 . 0 0 "[ . 1 . 2]" 1 2244 1 126 LYS H 1 127 ASP HA . . 5.500 4.590 4.400 4.817 . 0 0 "[ . 1 . 2]" 1 2245 1 126 LYS H 1 127 ASP HB2 . . 5.010 4.091 3.326 4.554 . 0 0 "[ . 1 . 2]" 1 2246 1 126 LYS HA 1 126 LYS QD . . 4.350 4.266 4.196 4.345 . 0 0 "[ . 1 . 2]" 1 2247 1 126 LYS QB 1 127 ASP H . . 4.120 4.079 3.707 4.130 0.010 1 0 "[ . 1 . 2]" 1 2248 1 126 LYS QG 1 127 ASP H . . 4.570 3.789 2.463 4.160 . 0 0 "[ . 1 . 2]" 1 2249 1 127 ASP H 1 128 THR H . . 4.980 4.368 4.224 4.518 . 0 0 "[ . 1 . 2]" 1 2250 1 127 ASP HA 1 128 THR H . . 3.570 2.717 2.492 2.963 . 0 0 "[ . 1 . 2]" 1 2251 1 127 ASP HA 1 128 THR MG . . 4.010 4.044 3.844 4.118 0.108 17 0 "[ . 1 . 2]" 1 2252 1 127 ASP HA 1 132 LEU MD1 . . 4.720 4.713 4.543 4.825 0.105 6 0 "[ . 1 . 2]" 1 2253 1 127 ASP HB2 1 128 THR H . . 4.170 3.167 2.424 3.798 . 0 0 "[ . 1 . 2]" 1 2254 1 127 ASP HB2 1 128 THR MG . . 4.890 4.772 4.348 5.341 0.451 5 0 "[ . 1 . 2]" 1 2255 1 127 ASP HB2 1 132 LEU MD1 . . 3.760 2.631 2.282 3.499 . 0 0 "[ . 1 . 2]" 1 2256 1 127 ASP HB3 1 128 THR H . . 3.790 2.259 1.944 3.272 . 0 0 "[ . 1 . 2]" 1 2257 1 127 ASP HB3 1 128 THR MG . . 4.460 3.828 3.531 4.923 0.463 4 0 "[ . 1 . 2]" 1 2258 1 127 ASP HB3 1 132 LEU MD1 . . 3.800 2.925 2.236 3.331 . 0 0 "[ . 1 . 2]" 1 2259 1 128 THR H 1 128 THR MG . . 3.330 2.101 1.905 2.429 . 0 0 "[ . 1 . 2]" 1 2260 1 128 THR H 1 129 GLY H . . 5.500 4.497 4.324 4.629 . 0 0 "[ . 1 . 2]" 1 2261 1 128 THR H 1 130 GLU H . . 5.110 4.748 4.486 5.027 . 0 0 "[ . 1 . 2]" 1 2262 1 128 THR H 1 131 ARG H . . 4.800 3.734 3.456 4.380 . 0 0 "[ . 1 . 2]" 1 2263 1 128 THR H 1 131 ARG QD . . 4.990 3.087 1.931 4.293 . 0 0 "[ . 1 . 2]" 1 2264 1 128 THR H 1 132 LEU H . . 5.500 4.629 4.165 5.512 0.012 19 0 "[ . 1 . 2]" 1 2265 1 128 THR H 1 132 LEU MD1 . . 4.330 3.410 2.759 3.915 . 0 0 "[ . 1 . 2]" 1 2266 1 128 THR HA 1 130 GLU H . . 4.280 4.023 3.810 4.199 . 0 0 "[ . 1 . 2]" 1 2267 1 128 THR MG 1 129 GLY H . . 3.800 3.765 3.598 3.877 0.077 17 0 "[ . 1 . 2]" 1 2268 1 128 THR MG 1 130 GLU H . . 3.580 2.425 2.096 2.912 . 0 0 "[ . 1 . 2]" 1 2269 1 128 THR MG 1 131 ARG H . . 3.620 1.971 1.843 2.138 . 0 0 "[ . 1 . 2]" 1 2270 1 128 THR MG 1 131 ARG HA . . 4.270 4.098 3.749 4.310 0.040 4 0 "[ . 1 . 2]" 1 2271 1 129 GLY H 1 130 GLU H . . 4.010 2.893 2.607 2.993 . 0 0 "[ . 1 . 2]" 1 2272 1 129 GLY H 1 131 ARG H . . 5.460 4.938 4.451 5.220 . 0 0 "[ . 1 . 2]" 1 2273 1 129 GLY HA2 1 132 LEU HB2 . . 5.210 2.397 2.015 2.863 . 0 0 "[ . 1 . 2]" 1 2274 1 129 GLY HA3 1 132 LEU H . . 5.230 4.586 4.300 5.005 . 0 0 "[ . 1 . 2]" 1 2275 1 129 GLY HA3 1 132 LEU HB2 . . 4.860 3.836 3.543 4.254 . 0 0 "[ . 1 . 2]" 1 2276 1 129 GLY HA3 1 132 LEU MD1 . . 4.720 3.599 3.416 4.479 . 0 0 "[ . 1 . 2]" 1 2277 1 129 GLY HA3 1 132 LEU MD2 . . 5.030 4.742 4.281 5.141 0.111 2 0 "[ . 1 . 2]" 1 2278 1 130 GLU H 1 130 GLU QB . . 3.380 2.025 1.997 2.172 . 0 0 "[ . 1 . 2]" 1 2279 1 130 GLU H 1 130 GLU HG3 . . 4.320 4.142 3.515 4.321 0.001 19 0 "[ . 1 . 2]" 1 2280 1 130 GLU H 1 131 ARG H . . 4.160 3.017 2.402 3.331 . 0 0 "[ . 1 . 2]" 1 2281 1 130 GLU H 1 132 LEU H . . 5.500 4.131 3.598 4.402 . 0 0 "[ . 1 . 2]" 1 2282 1 130 GLU HA 1 130 GLU HG2 . . 3.960 3.471 2.664 3.567 . 0 0 "[ . 1 . 2]" 1 2283 1 130 GLU HA 1 130 GLU HG3 . . 3.750 2.256 2.117 2.456 . 0 0 "[ . 1 . 2]" 1 2284 1 130 GLU HA 1 133 SER H . . 4.410 3.393 3.089 3.676 . 0 0 "[ . 1 . 2]" 1 2285 1 130 GLU HA 1 133 SER HB3 . . 4.280 2.970 2.401 3.745 . 0 0 "[ . 1 . 2]" 1 2286 1 130 GLU QB 1 131 ARG H . . 4.040 2.339 2.130 2.695 . 0 0 "[ . 1 . 2]" 1 2287 1 130 GLU HG3 1 131 ARG H . . 4.840 4.599 4.339 4.776 . 0 0 "[ . 1 . 2]" 1 2288 1 131 ARG H 1 131 ARG QG . . 4.770 2.829 1.951 3.596 . 0 0 "[ . 1 . 2]" 1 2289 1 131 ARG H 1 132 LEU H . . 3.970 2.847 2.431 3.122 . 0 0 "[ . 1 . 2]" 1 2290 1 131 ARG H 1 132 LEU MD1 . . 4.690 3.725 3.314 4.052 . 0 0 "[ . 1 . 2]" 1 2291 1 131 ARG HB2 1 132 LEU H . . 5.300 2.887 2.284 4.030 . 0 0 "[ . 1 . 2]" 1 2292 1 131 ARG HB2 1 132 LEU MD1 . . 5.210 3.078 2.478 4.213 . 0 0 "[ . 1 . 2]" 1 2293 1 131 ARG HB3 1 132 LEU H . . 4.420 3.343 2.662 4.126 . 0 0 "[ . 1 . 2]" 1 2294 1 131 ARG HB3 1 132 LEU MD1 . . 5.040 3.597 2.675 4.424 . 0 0 "[ . 1 . 2]" 1 2295 1 131 ARG QG 1 132 LEU H . . 5.500 4.240 2.116 4.549 . 0 0 "[ . 1 . 2]" 1 2296 1 132 LEU H 1 132 LEU HB2 . . 4.080 2.281 2.107 2.469 . 0 0 "[ . 1 . 2]" 1 2297 1 132 LEU H 1 132 LEU MD1 . . 3.480 2.045 1.830 2.377 . 0 0 "[ . 1 . 2]" 1 2298 1 132 LEU H 1 132 LEU MD2 . . 4.120 4.056 3.908 4.184 0.064 3 0 "[ . 1 . 2]" 1 2299 1 132 LEU H 1 132 LEU HG . . 4.450 3.300 2.925 3.810 . 0 0 "[ . 1 . 2]" 1 2300 1 132 LEU H 1 133 SER H . . 4.170 2.710 2.498 3.052 . 0 0 "[ . 1 . 2]" 1 2301 1 132 LEU H 1 134 HIS H . . 5.500 3.854 3.651 4.136 . 0 0 "[ . 1 . 2]" 1 2302 1 132 LEU HA 1 132 LEU MD1 . . 3.450 3.218 2.826 3.382 . 0 0 "[ . 1 . 2]" 1 2303 1 132 LEU HA 1 132 LEU MD2 . . 3.600 3.504 3.373 3.654 0.054 7 0 "[ . 1 . 2]" 1 2304 1 132 LEU HA 1 132 LEU HG . . 3.610 2.292 2.182 2.394 . 0 0 "[ . 1 . 2]" 1 2305 1 132 LEU HA 1 135 ALA H . . 4.470 3.449 3.196 3.886 . 0 0 "[ . 1 . 2]" 1 2306 1 132 LEU HA 1 135 ALA MB . . 3.590 2.864 2.464 3.300 . 0 0 "[ . 1 . 2]" 1 2307 1 132 LEU HA 1 136 VAL H . . 5.220 4.106 3.765 4.912 . 0 0 "[ . 1 . 2]" 1 2308 1 132 LEU HB2 1 132 LEU MD1 . . 3.620 2.085 1.986 2.288 . 0 0 "[ . 1 . 2]" 1 2309 1 132 LEU HB2 1 132 LEU MD2 . . 3.330 2.713 2.544 2.824 . 0 0 "[ . 1 . 2]" 1 2310 1 132 LEU HB2 1 133 SER H . . 4.410 2.792 2.320 3.100 . 0 0 "[ . 1 . 2]" 1 2311 1 132 LEU HB3 1 133 SER H . . 4.380 3.562 2.991 3.919 . 0 0 "[ . 1 . 2]" 1 2312 1 132 LEU HB3 1 135 ALA MB . . 4.620 4.580 4.136 4.734 0.114 8 0 "[ . 1 . 2]" 1 2313 1 132 LEU MD2 1 133 SER H . . 4.670 4.906 4.563 5.105 0.435 2 0 "[ . 1 . 2]" 1 2314 1 132 LEU HG 1 135 ALA MB . . 5.050 4.400 4.125 4.909 . 0 0 "[ . 1 . 2]" 1 2315 1 133 SER H 1 133 SER HB2 . . 3.770 3.401 2.933 3.528 . 0 0 "[ . 1 . 2]" 1 2316 1 133 SER H 1 133 SER HB3 . . 3.770 2.149 2.024 2.316 . 0 0 "[ . 1 . 2]" 1 2317 1 133 SER H 1 134 HIS H . . 4.280 2.586 2.377 2.790 . 0 0 "[ . 1 . 2]" 1 2318 1 133 SER H 1 135 ALA MB . . 5.150 5.099 4.881 5.324 0.174 20 0 "[ . 1 . 2]" 1 2319 1 133 SER HA 1 136 VAL H . . 4.370 3.754 3.220 4.011 . 0 0 "[ . 1 . 2]" 1 2320 1 133 SER HA 1 136 VAL HB . . 4.320 4.119 3.866 4.425 0.105 8 0 "[ . 1 . 2]" 1 2321 1 133 SER HA 1 136 VAL MG1 . . 3.730 2.084 1.799 3.949 0.219 17 0 "[ . 1 . 2]" 1 2322 1 133 SER HA 1 136 VAL MG2 . . 4.240 4.057 1.826 4.362 0.122 15 0 "[ . 1 . 2]" 1 2323 1 133 SER HB2 1 134 HIS H . . 4.330 4.376 4.247 4.437 0.107 13 0 "[ . 1 . 2]" 1 2324 1 133 SER HB3 1 134 HIS H . . 4.830 3.788 3.304 4.103 . 0 0 "[ . 1 . 2]" 1 2325 1 134 HIS H 1 134 HIS HB2 . . 3.930 2.784 2.438 3.358 . 0 0 "[ . 1 . 2]" 1 2326 1 134 HIS H 1 134 HIS HB3 . . 3.970 2.300 2.057 2.533 . 0 0 "[ . 1 . 2]" 1 2327 1 134 HIS H 1 135 ALA H . . 4.020 2.594 2.384 2.839 . 0 0 "[ . 1 . 2]" 1 2328 1 134 HIS H 1 135 ALA MB . . 5.200 4.076 3.947 4.293 . 0 0 "[ . 1 . 2]" 1 2329 1 134 HIS H 1 136 VAL H . . 4.980 4.194 3.856 4.781 . 0 0 "[ . 1 . 2]" 1 2330 1 134 HIS HA 1 137 GLY H . . 4.430 3.356 3.055 4.087 . 0 0 "[ . 1 . 2]" 1 2331 1 134 HIS HB2 1 135 ALA H . . 4.500 3.958 3.596 4.584 0.084 17 0 "[ . 1 . 2]" 1 2332 1 134 HIS HB3 1 135 ALA H . . 4.090 2.690 2.137 3.907 . 0 0 "[ . 1 . 2]" 1 2333 1 135 ALA H 1 135 ALA MB . . 3.310 2.093 1.933 2.289 . 0 0 "[ . 1 . 2]" 1 2334 1 135 ALA H 1 136 VAL H . . 3.940 2.881 2.400 3.090 . 0 0 "[ . 1 . 2]" 1 2335 1 135 ALA H 1 136 VAL HB . . 5.420 5.252 4.789 5.564 0.144 8 0 "[ . 1 . 2]" 1 2336 1 135 ALA H 1 136 VAL MG1 . . 4.750 4.022 3.508 4.730 . 0 0 "[ . 1 . 2]" 1 2337 1 135 ALA H 1 137 GLY H . . 5.390 3.867 3.532 4.139 . 0 0 "[ . 1 . 2]" 1 2338 1 135 ALA HA 1 138 CYS H . . 3.770 3.291 3.209 3.526 . 0 0 "[ . 1 . 2]" 1 2339 1 135 ALA HA 1 138 CYS HB2 . . 4.180 2.526 2.158 2.815 . 0 0 "[ . 1 . 2]" 1 2340 1 135 ALA HA 1 138 CYS HB3 . . 4.180 3.967 3.672 4.244 0.064 3 0 "[ . 1 . 2]" 1 2341 1 135 ALA MB 1 136 VAL H . . 3.410 2.370 2.182 2.584 . 0 0 "[ . 1 . 2]" 1 2342 1 135 ALA MB 1 136 VAL HA . . 4.410 3.751 3.661 3.837 . 0 0 "[ . 1 . 2]" 1 2343 1 135 ALA MB 1 137 GLY H . . 5.120 4.254 4.108 4.431 . 0 0 "[ . 1 . 2]" 1 2344 1 136 VAL H 1 136 VAL HB . . 3.620 2.490 2.299 3.477 . 0 0 "[ . 1 . 2]" 1 2345 1 136 VAL H 1 136 VAL MG1 . . 3.060 2.198 1.929 2.673 . 0 0 "[ . 1 . 2]" 1 2346 1 136 VAL H 1 136 VAL MG2 . . 3.850 3.508 1.819 3.709 . 0 0 "[ . 1 . 2]" 1 2347 1 136 VAL H 1 137 GLY H . . 3.850 2.697 2.511 3.059 . 0 0 "[ . 1 . 2]" 1 2348 1 136 VAL H 1 139 ALA MB . . 5.500 5.185 4.569 5.414 . 0 0 "[ . 1 . 2]" 1 2349 1 136 VAL HA 1 136 VAL MG1 . . 3.100 3.095 2.074 3.217 0.117 16 0 "[ . 1 . 2]" 1 2350 1 136 VAL HA 1 136 VAL MG2 . . 2.980 2.445 2.328 3.157 0.177 8 0 "[ . 1 . 2]" 1 2351 1 136 VAL HA 1 139 ALA MB . . 3.280 3.140 2.954 3.333 0.053 18 0 "[ . 1 . 2]" 1 2352 1 136 VAL HB 1 137 GLY H . . 4.010 3.943 3.135 4.079 0.069 6 0 "[ . 1 . 2]" 1 2353 1 136 VAL HB 1 138 CYS H . . 5.500 5.369 5.310 5.455 . 0 0 "[ . 1 . 2]" 1 2354 1 136 VAL MG1 1 137 GLY H . . 4.030 2.199 1.917 4.168 0.138 8 0 "[ . 1 . 2]" 1 2355 1 136 VAL MG2 1 137 GLY H . . 3.920 3.675 1.920 3.968 0.048 15 0 "[ . 1 . 2]" 1 2356 1 136 VAL MG2 1 138 CYS H . . 4.860 4.689 4.067 4.778 . 0 0 "[ . 1 . 2]" 1 2357 1 137 GLY H 1 138 CYS H . . 3.490 2.514 2.449 2.803 . 0 0 "[ . 1 . 2]" 1 2358 1 137 GLY HA2 1 140 PHE H . . 5.190 3.606 3.424 3.752 . 0 0 "[ . 1 . 2]" 1 2359 1 137 GLY HA2 1 140 PHE HB2 . . 4.680 2.621 2.244 3.006 . 0 0 "[ . 1 . 2]" 1 2360 1 137 GLY HA2 1 140 PHE HB3 . . 4.790 3.142 2.757 3.354 . 0 0 "[ . 1 . 2]" 1 2361 1 137 GLY HA2 1 141 ALA H . . 5.280 4.038 3.472 4.337 . 0 0 "[ . 1 . 2]" 1 2362 1 137 GLY HA3 1 140 PHE HB2 . . 4.500 4.289 3.811 4.702 0.202 16 0 "[ . 1 . 2]" 1 2363 1 137 GLY HA3 1 140 PHE HB3 . . 4.470 4.599 4.369 4.758 0.288 16 0 "[ . 1 . 2]" 1 2364 1 138 CYS H 1 138 CYS HB2 . . 3.560 2.346 2.147 2.533 . 0 0 "[ . 1 . 2]" 1 2365 1 138 CYS H 1 138 CYS HB3 . . 3.980 3.550 3.434 3.606 . 0 0 "[ . 1 . 2]" 1 2366 1 138 CYS H 1 139 ALA MB . . 4.820 3.966 3.819 4.514 . 0 0 "[ . 1 . 2]" 1 2367 1 138 CYS HA 1 141 ALA MB . . 3.250 2.928 2.739 3.049 . 0 0 "[ . 1 . 2]" 1 2368 1 138 CYS HA 1 142 ALA H . . 4.450 4.326 4.070 4.540 0.090 13 0 "[ . 1 . 2]" 1 2369 1 138 CYS HB2 1 139 ALA H . . 4.190 2.442 2.268 2.741 . 0 0 "[ . 1 . 2]" 1 2370 1 138 CYS HB2 1 139 ALA HA . . 5.230 4.417 4.187 4.748 . 0 0 "[ . 1 . 2]" 1 2371 1 138 CYS HB2 1 139 ALA MB . . 4.230 3.942 3.817 4.227 . 0 0 "[ . 1 . 2]" 1 2372 1 138 CYS HB3 1 139 ALA H . . 3.610 3.271 2.886 3.608 . 0 0 "[ . 1 . 2]" 1 2373 1 138 CYS HB3 1 139 ALA HA . . 5.270 4.208 3.919 4.506 . 0 0 "[ . 1 . 2]" 1 2374 1 138 CYS HB3 1 139 ALA MB . . 4.920 4.531 4.233 4.773 . 0 0 "[ . 1 . 2]" 1 2375 1 138 CYS HB3 1 140 PHE H . . 5.500 5.388 5.017 5.938 0.438 10 0 "[ . 1 . 2]" 1 2376 1 138 CYS HB3 1 141 ALA MB . . 4.650 4.708 4.567 4.762 0.112 17 0 "[ . 1 . 2]" 1 2377 1 138 CYS HB3 1 142 ALA MB . . 4.890 4.319 3.909 4.578 . 0 0 "[ . 1 . 2]" 1 2378 1 139 ALA H 1 139 ALA MB . . 3.000 2.029 1.937 2.123 . 0 0 "[ . 1 . 2]" 1 2379 1 139 ALA H 1 140 PHE H . . 3.710 2.795 2.688 2.913 . 0 0 "[ . 1 . 2]" 1 2380 1 139 ALA H 1 142 ALA MB . . 4.920 4.417 4.224 4.573 . 0 0 "[ . 1 . 2]" 1 2381 1 139 ALA HA 1 141 ALA H . . 4.890 4.762 4.547 5.009 0.119 17 0 "[ . 1 . 2]" 1 2382 1 139 ALA HA 1 142 ALA H . . 4.160 3.353 3.258 3.463 . 0 0 "[ . 1 . 2]" 1 2383 1 139 ALA HA 1 142 ALA MB . . 3.380 2.393 2.280 2.484 . 0 0 "[ . 1 . 2]" 1 2384 1 139 ALA HA 1 143 CYS H . . 5.500 3.640 3.501 3.859 . 0 0 "[ . 1 . 2]" 1 2385 1 139 ALA MB 1 140 PHE H . . 3.390 2.684 2.457 2.841 . 0 0 "[ . 1 . 2]" 1 2386 1 139 ALA MB 1 140 PHE HA . . 4.650 3.780 3.677 3.865 . 0 0 "[ . 1 . 2]" 1 2387 1 139 ALA MB 1 140 PHE HB2 . . 4.780 4.064 3.901 4.143 . 0 0 "[ . 1 . 2]" 1 2388 1 139 ALA MB 1 140 PHE QD . . 4.770 4.342 4.115 4.798 0.028 16 0 "[ . 1 . 2]" 1 2389 1 139 ALA MB 1 141 ALA H . . 5.000 4.828 4.634 4.952 . 0 0 "[ . 1 . 2]" 1 2390 1 139 ALA MB 1 142 ALA H . . 4.540 4.449 4.363 4.474 . 0 0 "[ . 1 . 2]" 1 2391 1 140 PHE H 1 140 PHE HB2 . . 3.530 1.913 1.886 1.961 . 0 0 "[ . 1 . 2]" 1 2392 1 140 PHE H 1 140 PHE HB3 . . 3.580 2.952 2.854 3.031 . 0 0 "[ . 1 . 2]" 1 2393 1 140 PHE H 1 140 PHE QD . . 4.300 3.498 3.331 3.843 . 0 0 "[ . 1 . 2]" 1 2394 1 140 PHE H 1 141 ALA MB . . 4.820 4.448 4.305 4.548 . 0 0 "[ . 1 . 2]" 1 2395 1 140 PHE H 1 142 ALA H . . 4.600 3.918 3.653 4.103 . 0 0 "[ . 1 . 2]" 1 2396 1 140 PHE HA 1 140 PHE QD . . 3.500 2.820 2.579 2.985 . 0 0 "[ . 1 . 2]" 1 2397 1 140 PHE HA 1 143 CYS H . . 4.330 3.541 3.319 3.739 . 0 0 "[ . 1 . 2]" 1 2398 1 140 PHE HA 1 143 CYS HB2 . . 3.790 3.806 3.655 3.877 0.087 9 0 "[ . 1 . 2]" 1 2399 1 140 PHE HA 1 143 CYS HB3 . . 3.480 2.885 2.726 3.074 . 0 0 "[ . 1 . 2]" 1 2400 1 140 PHE HB2 1 141 ALA H . . 3.720 3.143 2.980 3.338 . 0 0 "[ . 1 . 2]" 1 2401 1 140 PHE HB2 1 141 ALA MB . . 4.790 4.644 4.541 4.791 0.001 10 0 "[ . 1 . 2]" 1 2402 1 140 PHE HB3 1 141 ALA H . . 3.670 2.240 2.077 2.381 . 0 0 "[ . 1 . 2]" 1 2403 1 140 PHE HB3 1 141 ALA MB . . 4.440 3.591 3.535 3.657 . 0 0 "[ . 1 . 2]" 1 2404 1 140 PHE QD 1 141 ALA H . . 4.330 4.048 3.921 4.157 . 0 0 "[ . 1 . 2]" 1 2405 1 140 PHE QD 1 141 ALA HA . . 4.640 4.156 3.921 4.297 . 0 0 "[ . 1 . 2]" 1 2406 1 140 PHE QD 1 141 ALA MB . . 4.540 4.595 4.353 4.695 0.155 16 0 "[ . 1 . 2]" 1 2407 1 140 PHE QD 1 144 LEU QD . . 4.160 2.095 1.946 2.499 . 0 0 "[ . 1 . 2]" 1 2408 1 140 PHE QD 1 144 LEU HG . . 4.710 3.280 2.024 4.097 . 0 0 "[ . 1 . 2]" 1 2409 1 140 PHE QE 1 144 LEU QD . . 4.040 2.317 1.999 2.529 . 0 0 "[ . 1 . 2]" 1 2410 1 140 PHE QE 1 144 LEU HG . . 4.490 3.965 2.996 4.414 . 0 0 "[ . 1 . 2]" 1 2411 1 140 PHE HZ 1 144 LEU QD . . 4.470 3.865 3.583 4.312 . 0 0 "[ . 1 . 2]" 1 2412 1 141 ALA H 1 141 ALA MB . . 2.800 2.154 2.133 2.165 . 0 0 "[ . 1 . 2]" 1 2413 1 141 ALA H 1 142 ALA H . . 3.670 2.692 2.588 2.784 . 0 0 "[ . 1 . 2]" 1 2414 1 141 ALA HA 1 144 LEU HB2 . . 3.810 2.510 2.374 2.701 . 0 0 "[ . 1 . 2]" 1 2415 1 141 ALA HA 1 144 LEU QD . . 3.880 3.303 2.899 3.634 . 0 0 "[ . 1 . 2]" 1 2416 1 141 ALA MB 1 142 ALA H . . 3.130 2.777 2.643 3.037 . 0 0 "[ . 1 . 2]" 1 2417 1 141 ALA MB 1 145 GLU HG2 . . 4.620 4.670 4.230 5.088 0.468 10 0 "[ . 1 . 2]" 1 2418 1 141 ALA MB 1 145 GLU HG3 . . 4.630 3.739 3.352 4.039 . 0 0 "[ . 1 . 2]" 1 2419 1 142 ALA H 1 142 ALA MB . . 2.880 2.165 2.135 2.223 . 0 0 "[ . 1 . 2]" 1 2420 1 142 ALA H 1 143 CYS HB2 . . 5.120 4.960 4.709 5.089 . 0 0 "[ . 1 . 2]" 1 2421 1 142 ALA H 1 143 CYS HB3 . . 4.990 4.843 4.613 4.968 . 0 0 "[ . 1 . 2]" 1 2422 1 142 ALA HA 1 144 LEU H . . 4.620 4.508 4.276 4.697 0.077 14 0 "[ . 1 . 2]" 1 2423 1 142 ALA HA 1 145 GLU HB2 . . 3.470 2.102 1.973 2.379 . 0 0 "[ . 1 . 2]" 1 2424 1 142 ALA HA 1 145 GLU HG2 . . 4.390 4.596 4.329 5.005 0.615 8 4 "[- . + * . *2]" 1 2425 1 142 ALA HA 1 146 ARG H . . 4.780 4.770 4.346 4.916 0.136 14 0 "[ . 1 . 2]" 1 2426 1 142 ALA MB 1 143 CYS H . . 3.680 2.190 1.982 2.385 . 0 0 "[ . 1 . 2]" 1 2427 1 142 ALA MB 1 143 CYS HA . . 4.520 3.725 3.683 3.784 . 0 0 "[ . 1 . 2]" 1 2428 1 142 ALA MB 1 143 CYS HB2 . . 3.870 3.823 3.726 3.933 0.063 16 0 "[ . 1 . 2]" 1 2429 1 142 ALA MB 1 143 CYS HB3 . . 4.420 4.501 4.423 4.610 0.190 16 0 "[ . 1 . 2]" 1 2430 1 142 ALA MB 1 144 LEU H . . 4.600 4.354 4.176 4.543 . 0 0 "[ . 1 . 2]" 1 2431 1 142 ALA MB 1 145 GLU H . . 4.790 4.344 4.232 4.546 . 0 0 "[ . 1 . 2]" 1 2432 1 142 ALA MB 1 145 GLU HB2 . . 4.030 3.763 3.660 4.004 . 0 0 "[ . 1 . 2]" 1 2433 1 143 CYS H 1 143 CYS HB2 . . 3.310 2.379 2.301 2.474 . 0 0 "[ . 1 . 2]" 1 2434 1 143 CYS H 1 143 CYS HB3 . . 3.280 2.628 2.523 2.730 . 0 0 "[ . 1 . 2]" 1 2435 1 143 CYS H 1 144 LEU H . . 3.720 2.795 2.714 2.887 . 0 0 "[ . 1 . 2]" 1 2436 1 143 CYS H 1 144 LEU HG . . 5.220 5.045 4.858 5.286 0.066 8 0 "[ . 1 . 2]" 1 2437 1 143 CYS H 1 145 GLU H . . 4.700 4.037 3.758 4.306 . 0 0 "[ . 1 . 2]" 1 2438 1 143 CYS H 1 145 GLU HB2 . . 5.500 4.684 4.524 4.833 . 0 0 "[ . 1 . 2]" 1 2439 1 143 CYS HA 1 145 GLU H . . 4.640 4.386 3.986 4.666 0.026 19 0 "[ . 1 . 2]" 1 2440 1 143 CYS HA 1 146 ARG H . . 4.220 3.722 3.486 3.873 . 0 0 "[ . 1 . 2]" 1 2441 1 143 CYS HA 1 146 ARG QB . . 3.710 3.369 2.849 3.735 0.025 20 0 "[ . 1 . 2]" 1 2442 1 143 CYS HB2 1 144 LEU H . . 3.800 3.839 3.742 3.883 0.083 9 0 "[ . 1 . 2]" 1 2443 1 143 CYS HB3 1 144 LEU H . . 3.420 2.596 2.465 2.766 . 0 0 "[ . 1 . 2]" 1 2444 1 143 CYS HB3 1 144 LEU HG . . 4.440 3.661 3.420 3.825 . 0 0 "[ . 1 . 2]" 1 2445 1 143 CYS HB3 1 145 GLU H . . 5.040 4.950 4.699 5.104 0.064 19 0 "[ . 1 . 2]" 1 2446 1 144 LEU H 1 144 LEU QD . . 3.790 3.196 3.003 3.353 . 0 0 "[ . 1 . 2]" 1 2447 1 144 LEU H 1 144 LEU HG . . 3.050 2.686 2.500 2.843 . 0 0 "[ . 1 . 2]" 1 2448 1 144 LEU H 1 145 GLU HB2 . . 4.980 4.371 4.225 4.541 . 0 0 "[ . 1 . 2]" 1 2449 1 144 LEU H 1 146 ARG H . . 4.850 4.127 3.942 4.675 . 0 0 "[ . 1 . 2]" 1 2450 1 144 LEU HA 1 144 LEU QD . . 3.120 1.929 1.849 2.185 . 0 0 "[ . 1 . 2]" 1 2451 1 144 LEU HA 1 144 LEU HG . . 3.550 3.023 2.649 3.238 . 0 0 "[ . 1 . 2]" 1 2452 1 144 LEU HA 1 147 LYS QB . . 3.240 3.125 2.290 3.402 0.162 6 0 "[ . 1 . 2]" 1 2453 1 144 LEU HA 1 147 LYS QD . . 3.860 3.354 1.890 4.260 0.400 12 0 "[ . 1 . 2]" 1 2454 1 144 LEU HA 1 147 LYS QE . . 4.230 2.717 1.924 3.911 . 0 0 "[ . 1 . 2]" 1 2455 1 144 LEU HA 1 147 LYS HG2 . . 4.360 3.719 1.996 4.582 0.222 5 0 "[ . 1 . 2]" 1 2456 1 144 LEU HA 1 147 LYS HG3 . . 4.350 3.339 2.370 4.532 0.182 5 0 "[ . 1 . 2]" 1 2457 1 144 LEU HA 1 148 GLN H . . 4.170 3.342 2.799 3.617 . 0 0 "[ . 1 . 2]" 1 2458 1 144 LEU HA 1 148 GLN HE21 . . 5.480 4.949 4.497 5.385 . 0 0 "[ . 1 . 2]" 1 2459 1 144 LEU HA 1 148 GLN HG2 . . 4.150 3.927 3.277 4.244 0.094 19 0 "[ . 1 . 2]" 1 2460 1 144 LEU HA 1 148 GLN HG3 . . 4.040 3.711 2.928 4.218 0.178 9 0 "[ . 1 . 2]" 1 2461 1 144 LEU HB2 1 145 GLU H . . 3.770 2.879 2.696 3.159 . 0 0 "[ . 1 . 2]" 1 2462 1 144 LEU HB3 1 144 LEU QD . . 2.970 2.100 2.047 2.185 . 0 0 "[ . 1 . 2]" 1 2463 1 144 LEU HB3 1 145 GLU H . . 3.760 3.584 3.281 3.801 0.041 16 0 "[ . 1 . 2]" 1 2464 1 144 LEU HB3 1 148 GLN H . . 4.570 3.574 3.342 3.864 . 0 0 "[ . 1 . 2]" 1 2465 1 144 LEU HB3 1 148 GLN HE21 . . 5.200 2.611 2.042 3.085 . 0 0 "[ . 1 . 2]" 1 2466 1 144 LEU HB3 1 148 GLN HE22 . . 5.430 3.974 3.349 4.519 . 0 0 "[ . 1 . 2]" 1 2467 1 144 LEU QD 1 145 GLU H . . 4.820 4.223 4.126 4.333 . 0 0 "[ . 1 . 2]" 1 2468 1 144 LEU QD 1 147 LYS QB . . 3.980 2.993 2.248 3.593 . 0 0 "[ . 1 . 2]" 1 2469 1 144 LEU QD 1 147 LYS QD . . 3.860 2.904 1.752 3.700 . 0 0 "[ . 1 . 2]" 1 2470 1 144 LEU QD 1 147 LYS QE . . 3.860 1.861 1.665 2.493 . 0 0 "[ . 1 . 2]" 1 2471 1 144 LEU QD 1 148 GLN H . . 4.190 3.546 2.892 3.915 . 0 0 "[ . 1 . 2]" 1 2472 1 144 LEU QD 1 148 GLN QB . . 4.430 3.872 3.347 4.074 . 0 0 "[ . 1 . 2]" 1 2473 1 144 LEU QD 1 148 GLN HE21 . . 4.690 3.087 2.302 3.933 . 0 0 "[ . 1 . 2]" 1 2474 1 144 LEU QD 1 148 GLN HE22 . . 4.760 3.553 2.520 4.651 . 0 0 "[ . 1 . 2]" 1 2475 1 144 LEU QD 1 148 GLN HG2 . . 4.080 2.797 2.238 3.341 . 0 0 "[ . 1 . 2]" 1 2476 1 144 LEU QD 1 148 GLN HG3 . . 4.550 3.125 1.930 3.808 . 0 0 "[ . 1 . 2]" 1 2477 1 144 LEU HG 1 145 GLU H . . 4.630 4.738 4.554 4.894 0.264 14 0 "[ . 1 . 2]" 1 2478 1 145 GLU H 1 145 GLU HB2 . . 3.260 2.052 2.032 2.080 . 0 0 "[ . 1 . 2]" 1 2479 1 145 GLU H 1 145 GLU HB3 . . 3.220 3.316 3.266 3.380 0.160 18 0 "[ . 1 . 2]" 1 2480 1 145 GLU H 1 145 GLU HG2 . . 3.520 3.644 3.438 3.863 0.343 12 0 "[ . 1 . 2]" 1 2481 1 145 GLU H 1 145 GLU HG3 . . 3.800 3.585 3.287 3.857 0.057 14 0 "[ . 1 . 2]" 1 2482 1 145 GLU H 1 146 ARG H . . 3.540 2.835 2.588 3.202 . 0 0 "[ . 1 . 2]" 1 2483 1 145 GLU H 1 146 ARG QB . . 4.650 4.628 4.301 4.770 0.120 11 0 "[ . 1 . 2]" 1 2484 1 145 GLU H 1 146 ARG QD . . 5.350 4.525 3.805 5.116 . 0 0 "[ . 1 . 2]" 1 2485 1 145 GLU HA 1 145 GLU HB3 . . 2.880 2.869 2.781 2.906 0.026 4 0 "[ . 1 . 2]" 1 2486 1 145 GLU HA 1 145 GLU HG2 . . 3.490 2.001 1.955 2.084 . 0 0 "[ . 1 . 2]" 1 2487 1 145 GLU HA 1 145 GLU HG3 . . 3.420 3.197 2.998 3.435 0.015 14 0 "[ . 1 . 2]" 1 2488 1 145 GLU HA 1 147 LYS H . . 4.210 4.236 4.003 4.356 0.146 8 0 "[ . 1 . 2]" 1 2489 1 145 GLU HA 1 148 GLN HE21 . . 4.910 4.205 2.803 5.005 0.095 8 0 "[ . 1 . 2]" 1 2490 1 145 GLU HB2 1 146 ARG H . . 3.780 3.409 2.977 3.576 . 0 0 "[ . 1 . 2]" 1 2491 1 145 GLU HB3 1 146 ARG H . . 3.580 3.338 2.463 3.865 0.285 18 0 "[ . 1 . 2]" 1 2492 1 145 GLU HG2 1 146 ARG H . . 4.900 5.002 4.699 5.074 0.174 18 0 "[ . 1 . 2]" 1 2493 1 146 ARG H 1 146 ARG QB . . 3.000 2.222 2.081 2.370 . 0 0 "[ . 1 . 2]" 1 2494 1 146 ARG H 1 146 ARG QD . . 4.420 2.810 2.009 3.500 . 0 0 "[ . 1 . 2]" 1 2495 1 146 ARG HA 1 146 ARG HG2 . . 3.610 3.302 2.715 3.623 0.013 16 0 "[ . 1 . 2]" 1 2496 1 146 ARG HA 1 146 ARG HG3 . . 3.420 2.458 2.019 3.693 0.273 14 0 "[ . 1 . 2]" 1 2497 1 146 ARG QB 1 146 ARG QD . . 3.130 2.071 1.944 2.233 . 0 0 "[ . 1 . 2]" 1 2498 1 146 ARG QB 1 146 ARG HE . . 5.040 3.716 2.682 4.357 . 0 0 "[ . 1 . 2]" 1 2499 1 146 ARG QB 1 147 LYS H . . 3.450 2.921 2.648 3.554 0.104 14 0 "[ . 1 . 2]" 1 2500 1 147 LYS H 1 147 LYS QB . . 3.020 2.558 2.312 2.705 . 0 0 "[ . 1 . 2]" 1 2501 1 147 LYS H 1 147 LYS QD . . 4.050 3.735 1.881 4.401 0.351 16 0 "[ . 1 . 2]" 1 2502 1 147 LYS H 1 147 LYS QE . . 4.330 3.920 3.403 4.654 0.324 13 0 "[ . 1 . 2]" 1 2503 1 147 LYS H 1 147 LYS HG2 . . 3.620 2.941 2.385 3.899 0.279 5 0 "[ . 1 . 2]" 1 2504 1 147 LYS H 1 147 LYS HG3 . . 3.870 2.630 1.953 3.741 . 0 0 "[ . 1 . 2]" 1 2505 1 147 LYS H 1 148 GLN H . . 3.350 2.418 2.154 2.557 . 0 0 "[ . 1 . 2]" 1 2506 1 147 LYS HA 1 147 LYS HG2 . . 3.730 3.125 2.496 3.846 0.116 13 0 "[ . 1 . 2]" 1 2507 1 147 LYS HA 1 147 LYS HG3 . . 3.490 3.292 2.464 3.585 0.095 3 0 "[ . 1 . 2]" 1 2508 1 147 LYS HA 1 148 GLN H . . 3.560 3.633 3.612 3.639 0.079 15 0 "[ . 1 . 2]" 1 2509 1 147 LYS QB 1 147 LYS QD . . 3.050 2.284 2.119 2.433 . 0 0 "[ . 1 . 2]" 1 2510 1 147 LYS QB 1 147 LYS QE . . 3.450 2.350 1.883 3.631 0.181 13 0 "[ . 1 . 2]" 1 2511 1 147 LYS QB 1 148 GLN H . . 3.530 2.646 2.286 3.445 . 0 0 "[ . 1 . 2]" 1 2512 1 147 LYS QE 1 147 LYS HG2 . . 3.770 2.767 2.109 3.347 . 0 0 "[ . 1 . 2]" 1 2513 1 147 LYS HG2 1 148 GLN H . . 4.780 3.871 1.905 4.938 0.158 15 0 "[ . 1 . 2]" 1 2514 1 147 LYS HG3 1 148 GLN H . . 4.880 3.474 2.327 4.515 . 0 0 "[ . 1 . 2]" 1 2515 1 148 GLN H 1 148 GLN QB . . 3.150 2.692 2.365 3.054 . 0 0 "[ . 1 . 2]" 1 2516 1 148 GLN H 1 148 GLN HG2 . . 3.710 2.588 2.187 2.970 . 0 0 "[ . 1 . 2]" 1 2517 1 148 GLN H 1 148 GLN HG3 . . 3.590 2.328 1.952 2.796 . 0 0 "[ . 1 . 2]" 1 2518 1 148 GLN QB 1 149 LYS H . . 3.690 2.184 1.900 3.344 . 0 0 "[ . 1 . 2]" 1 2519 1 148 GLN HG3 1 149 LYS H . . 4.840 4.190 3.561 5.294 0.454 8 0 "[ . 1 . 2]" 1 2520 1 149 LYS H 1 149 LYS HB3 . . 3.440 3.339 2.722 4.002 0.562 19 2 "[ . 1 .- +2]" 1 2521 1 149 LYS H 1 149 LYS HG2 . . 3.940 3.233 2.121 4.019 0.079 10 0 "[ . 1 . 2]" 1 2522 1 149 LYS H 1 149 LYS HG3 . . 4.080 2.842 1.994 3.784 . 0 0 "[ . 1 . 2]" 1 2523 1 149 LYS HA 1 149 LYS HB2 . . 2.960 2.700 2.374 3.031 0.071 14 0 "[ . 1 . 2]" 1 2524 1 149 LYS HA 1 149 LYS HG3 . . 3.610 3.382 2.766 3.674 0.064 4 0 "[ . 1 . 2]" 1 2525 1 149 LYS HA 1 150 ARG H . . 3.360 2.401 2.178 2.789 . 0 0 "[ . 1 . 2]" 1 2526 1 149 LYS HB2 1 150 ARG H . . 4.440 3.498 2.428 4.516 0.076 12 0 "[ . 1 . 2]" 1 2527 1 149 LYS HB3 1 149 LYS QE . . 4.890 3.619 2.251 4.453 . 0 0 "[ . 1 . 2]" 1 2528 1 149 LYS HB3 1 150 ARG H . . 4.440 3.639 2.076 4.488 0.048 12 0 "[ . 1 . 2]" 1 2529 1 150 ARG H 1 150 ARG HB2 . . 3.960 2.910 2.043 3.854 . 0 0 "[ . 1 . 2]" 1 2530 1 150 ARG H 1 150 ARG HB3 . . 3.410 2.969 2.450 4.033 0.623 5 1 "[ + 1 . 2]" 1 2531 1 150 ARG H 1 150 ARG QD . . 4.670 4.055 1.903 4.703 0.033 1 0 "[ . 1 . 2]" 1 2532 1 150 ARG H 1 150 ARG HG2 . . 4.250 3.528 1.959 4.691 0.441 7 0 "[ . 1 . 2]" 1 2533 1 150 ARG H 1 150 ARG HG3 . . 3.860 3.681 2.330 4.352 0.492 17 0 "[ . 1 . 2]" 1 2534 1 150 ARG HA 1 150 ARG QD . . 4.280 3.498 2.103 4.314 0.034 2 0 "[ . 1 . 2]" 1 2535 1 150 ARG HA 1 150 ARG HG2 . . 3.700 3.182 2.037 3.859 0.159 4 0 "[ . 1 . 2]" 1 2536 1 150 ARG HA 1 150 ARG HG3 . . 3.960 3.236 2.273 4.265 0.305 19 0 "[ . 1 . 2]" 1 2537 1 150 ARG HA 1 151 SER H . . 3.470 2.380 2.229 2.614 . 0 0 "[ . 1 . 2]" 1 2538 1 150 ARG HB2 1 150 ARG QD . . 3.610 2.577 1.973 3.332 . 0 0 "[ . 1 . 2]" 1 2539 1 150 ARG HB2 1 150 ARG HG3 . . 2.870 2.584 2.282 3.051 0.181 7 0 "[ . 1 . 2]" 1 2540 1 150 ARG HB2 1 151 SER H . . 5.500 3.726 2.408 4.677 . 0 0 "[ . 1 . 2]" 1 2541 1 150 ARG HB3 1 150 ARG QD . . 2.790 2.548 1.973 3.321 0.531 7 1 "[ . + 1 . 2]" 1 2542 1 150 ARG HB3 1 150 ARG HE . . 4.950 4.326 2.794 5.226 0.276 3 0 "[ . 1 . 2]" 1 2543 1 150 ARG HB3 1 150 ARG HG3 . . 2.640 2.867 2.578 3.057 0.417 9 0 "[ . 1 . 2]" 1 2544 1 150 ARG HE 1 150 ARG HG2 . . 3.870 2.842 2.112 3.585 . 0 0 "[ . 1 . 2]" 1 2545 1 150 ARG HG2 1 151 SER H . . 4.860 4.071 1.965 5.363 0.503 6 1 "[ .+ 1 . 2]" 1 2546 1 151 SER H 1 151 SER QB . . 3.620 2.733 2.006 3.338 . 0 0 "[ . 1 . 2]" 1 2547 1 151 SER HA 1 152 GLY H . . 3.620 2.606 2.215 3.641 0.021 6 0 "[ . 1 . 2]" 1 2548 1 151 SER QB 1 152 GLY H . . 4.610 3.222 2.295 3.974 . 0 0 "[ . 1 . 2]" 1 2549 1 153 PRO HA 1 154 SER H . . 3.070 2.504 2.182 2.781 . 0 0 "[ . 1 . 2]" 1 2550 1 153 PRO HB2 1 154 SER H . . 4.600 2.571 1.950 3.506 . 0 0 "[ . 1 . 2]" 1 2551 1 153 PRO HB2 1 155 SER H . . 5.460 4.011 3.451 4.519 . 0 0 "[ . 1 . 2]" 1 2552 1 153 PRO HB3 1 154 SER H . . 4.520 3.347 3.101 3.867 . 0 0 "[ . 1 . 2]" 1 2553 1 153 PRO HB3 1 155 SER H . . 5.390 5.161 4.781 5.341 . 0 0 "[ . 1 . 2]" 1 2554 1 154 SER H 1 155 SER HA . . 4.120 4.056 3.863 4.173 0.053 8 0 "[ . 1 . 2]" 1 2555 1 155 SER H 1 155 SER QB . . 3.850 2.686 2.001 3.337 . 0 0 "[ . 1 . 2]" 1 2556 1 155 SER H 1 156 GLY H . . 3.970 3.158 2.223 3.885 . 0 0 "[ . 1 . 2]" 1 2557 1 155 SER QB 1 156 GLY H . . 4.080 2.898 1.962 4.058 . 0 0 "[ . 1 . 2]" 1 stop_ save_
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