NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
457209 |
2kq2   |
16578 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kq2
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 1068
_Distance_constraint_stats_list.Viol_count 758
_Distance_constraint_stats_list.Viol_total 1046.514
_Distance_constraint_stats_list.Viol_max 0.422
_Distance_constraint_stats_list.Viol_rms 0.0173
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0024
_Distance_constraint_stats_list.Viol_average_violations_only 0.0690
_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 3 ASP 1.174 0.176 9 0 "[ . 1 . 2]"
1 4 ARG 2.234 0.200 9 0 "[ . 1 . 2]"
1 5 THR 1.229 0.200 9 0 "[ . 1 . 2]"
1 6 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 TYR 0.464 0.167 8 0 "[ . 1 . 2]"
1 8 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 VAL 2.538 0.194 16 0 "[ . 1 . 2]"
1 10 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 TYR 0.278 0.099 3 0 "[ . 1 . 2]"
1 16 VAL 0.235 0.068 4 0 "[ . 1 . 2]"
1 17 ASN 0.475 0.068 4 0 "[ . 1 . 2]"
1 18 GLY 0.240 0.067 16 0 "[ . 1 . 2]"
1 19 GLN 0.142 0.066 2 0 "[ . 1 . 2]"
1 20 TYR 0.312 0.099 3 0 "[ . 1 . 2]"
1 21 ALA 0.077 0.063 9 0 "[ . 1 . 2]"
1 22 TRP 0.885 0.280 20 0 "[ . 1 . 2]"
1 23 ALA 0.069 0.031 12 0 "[ . 1 . 2]"
1 24 TYR 1.027 0.139 17 0 "[ . 1 . 2]"
1 25 ALA 0.005 0.005 15 0 "[ . 1 . 2]"
1 26 PHE 1.065 0.194 16 0 "[ . 1 . 2]"
1 27 VAL 0.914 0.194 17 0 "[ . 1 . 2]"
1 28 LYS 0.251 0.065 14 0 "[ . 1 . 2]"
1 29 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 LYS 2.910 0.321 4 0 "[ . 1 . 2]"
1 32 VAL 2.236 0.165 2 0 "[ . 1 . 2]"
1 33 HIS 0.014 0.014 10 0 "[ . 1 . 2]"
1 34 TYR 0.502 0.110 3 0 "[ . 1 . 2]"
1 35 GLU 0.502 0.110 3 0 "[ . 1 . 2]"
1 36 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 ALA 0.234 0.096 12 0 "[ . 1 . 2]"
1 38 ASP 0.482 0.280 20 0 "[ . 1 . 2]"
1 39 VAL 2.339 0.251 2 0 "[ . 1 . 2]"
1 40 GLY 0.558 0.251 2 0 "[ . 1 . 2]"
1 41 LYS 2.150 0.253 16 0 "[ . 1 . 2]"
1 42 ASN 1.248 0.253 16 0 "[ . 1 . 2]"
1 43 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 THR 0.050 0.030 13 0 "[ . 1 . 2]"
1 48 MET 1.664 0.422 20 0 "[ . 1 . 2]"
1 49 ARG 1.613 0.422 20 0 "[ . 1 . 2]"
1 51 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 ALA 0.128 0.057 19 0 "[ . 1 . 2]"
1 53 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 ILE 1.663 0.129 18 0 "[ . 1 . 2]"
1 56 ALA 0.530 0.129 18 0 "[ . 1 . 2]"
1 57 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 LEU 0.594 0.079 17 0 "[ . 1 . 2]"
1 60 TYR 1.404 0.300 4 0 "[ . 1 . 2]"
1 61 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 VAL 0.038 0.026 17 0 "[ . 1 . 2]"
1 63 LYS 1.145 0.300 4 0 "[ . 1 . 2]"
1 64 LYS 0.332 0.064 17 0 "[ . 1 . 2]"
1 65 ALA 0.245 0.049 8 0 "[ . 1 . 2]"
1 66 SER 0.028 0.015 14 0 "[ . 1 . 2]"
1 67 GLN 2.206 0.171 12 0 "[ . 1 . 2]"
1 68 LEU 0.288 0.069 3 0 "[ . 1 . 2]"
1 69 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 VAL 0.042 0.035 10 0 "[ . 1 . 2]"
1 71 LYS 1.605 0.393 1 0 "[ . 1 . 2]"
1 72 ILE 2.248 0.167 8 0 "[ . 1 . 2]"
1 73 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 ILE 1.131 0.166 3 0 "[ . 1 . 2]"
1 75 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 ALA 0.177 0.103 11 0 "[ . 1 . 2]"
1 83 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 ALA 1.083 0.158 7 0 "[ . 1 . 2]"
1 86 THR 0.219 0.103 11 0 "[ . 1 . 2]"
1 87 GLY 0.288 0.107 17 0 "[ . 1 . 2]"
1 88 GLU 0.616 0.107 17 0 "[ . 1 . 2]"
1 89 TRP 0.289 0.106 9 0 "[ . 1 . 2]"
1 90 LYS 0.506 0.114 10 0 "[ . 1 . 2]"
1 91 ALA 0.889 0.114 10 0 "[ . 1 . 2]"
1 95 PHE 0.631 0.105 14 0 "[ . 1 . 2]"
1 96 THR 1.521 0.105 14 0 "[ . 1 . 2]"
1 97 GLN 3.330 0.197 6 0 "[ . 1 . 2]"
1 98 ALA 0.076 0.044 17 0 "[ . 1 . 2]"
1 99 TYR 0.913 0.124 5 0 "[ . 1 . 2]"
1 100 ALA 0.599 0.158 7 0 "[ . 1 . 2]"
1 101 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 MET 0.529 0.105 10 0 "[ . 1 . 2]"
1 104 ASN 2.311 0.162 14 0 "[ . 1 . 2]"
1 105 GLN 4.898 0.238 7 0 "[ . 1 . 2]"
1 106 TYR 1.029 0.151 15 0 "[ . 1 . 2]"
1 107 ARG 1.953 0.132 15 0 "[ . 1 . 2]"
1 108 GLY 0.050 0.027 16 0 "[ . 1 . 2]"
1 109 ILE 0.884 0.145 20 0 "[ . 1 . 2]"
1 110 TYR 0.181 0.099 17 0 "[ . 1 . 2]"
1 111 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 PHE 0.185 0.090 18 0 "[ . 1 . 2]"
1 113 GLU 0.289 0.177 17 0 "[ . 1 . 2]"
1 114 LYS 3.184 0.356 13 0 "[ . 1 . 2]"
1 115 VAL 0.205 0.183 8 0 "[ . 1 . 2]"
1 116 LYS 1.036 0.223 7 0 "[ . 1 . 2]"
1 117 ALA 0.663 0.147 20 0 "[ . 1 . 2]"
1 118 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 119 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 GLY 1.011 0.313 13 0 "[ . 1 . 2]"
1 121 ASN 1.056 0.313 13 0 "[ . 1 . 2]"
1 122 GLU 0.894 0.109 17 0 "[ . 1 . 2]"
1 123 PHE 0.863 0.109 17 0 "[ . 1 . 2]"
1 124 ASN 0.015 0.015 20 0 "[ . 1 . 2]"
1 125 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 126 TYR 0.108 0.039 17 0 "[ . 1 . 2]"
1 127 VAL 0.926 0.139 17 0 "[ . 1 . 2]"
1 128 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 129 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 130 LYS 0.274 0.039 17 0 "[ . 1 . 2]"
1 131 ALA 0.062 0.030 2 0 "[ . 1 . 2]"
1 132 LYS 1.143 0.256 18 0 "[ . 1 . 2]"
1 133 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 134 ALA 0.106 0.031 9 0 "[ . 1 . 2]"
1 135 LEU 1.841 0.146 17 0 "[ . 1 . 2]"
1 136 GLY 1.664 0.146 17 0 "[ . 1 . 2]"
1 137 ILE 0.290 0.064 19 0 "[ . 1 . 2]"
1 138 ARG 0.105 0.044 3 0 "[ . 1 . 2]"
1 139 ASP 0.788 0.166 20 0 "[ . 1 . 2]"
1 140 LEU 0.855 0.166 20 0 "[ . 1 . 2]"
1 141 GLU 0.313 0.098 2 0 "[ . 1 . 2]"
1 142 HIS 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 3 ASP H 1 4 ARG H 3.860 . 3.860 3.432 2.225 4.036 0.176 9 0 "[ . 1 . 2]" 1
2 1 3 ASP HA 1 4 ARG H 3.170 . 3.170 2.435 2.081 3.117 . 0 0 "[ . 1 . 2]" 1
3 1 3 ASP QB 1 7 TYR QD 8.510 . 8.510 4.417 3.408 6.283 . 0 0 "[ . 1 . 2]" 1
4 1 3 ASP QB 1 7 TYR QE 8.510 . 8.510 3.472 1.562 7.048 . 0 0 "[ . 1 . 2]" 1
5 1 3 ASP QB 1 28 LYS QB 6.320 . 6.320 3.601 1.867 5.128 . 0 0 "[ . 1 . 2]" 1
6 1 3 ASP QB 1 28 LYS QG 6.320 . 6.320 3.617 2.010 4.820 . 0 0 "[ . 1 . 2]" 1
7 1 3 ASP HB2 1 4 ARG H 5.040 . 5.040 4.315 3.396 4.625 . 0 0 "[ . 1 . 2]" 1
8 1 3 ASP HB2 1 28 LYS HB2 7.260 . 7.260 4.837 1.947 7.325 0.065 14 0 "[ . 1 . 2]" 1
9 1 3 ASP HB2 1 28 LYS HB3 7.260 . 7.260 5.012 2.934 7.305 0.045 3 0 "[ . 1 . 2]" 1
10 1 3 ASP HB2 1 28 LYS HG2 7.260 . 7.260 4.866 2.737 7.191 . 0 0 "[ . 1 . 2]" 1
11 1 3 ASP HB2 1 28 LYS HG3 7.260 . 7.260 4.840 2.067 7.248 . 0 0 "[ . 1 . 2]" 1
12 1 3 ASP HB3 1 4 ARG H 5.040 . 5.040 4.268 3.849 4.594 . 0 0 "[ . 1 . 2]" 1
13 1 3 ASP HB3 1 28 LYS HB2 7.260 . 7.260 4.882 2.451 7.284 0.024 11 0 "[ . 1 . 2]" 1
14 1 3 ASP HB3 1 28 LYS HB3 7.260 . 7.260 5.091 2.942 6.648 . 0 0 "[ . 1 . 2]" 1
15 1 3 ASP HB3 1 28 LYS HG2 7.260 . 7.260 4.957 3.256 7.205 . 0 0 "[ . 1 . 2]" 1
16 1 3 ASP HB3 1 28 LYS HG3 7.260 . 7.260 4.843 2.362 7.168 . 0 0 "[ . 1 . 2]" 1
17 1 4 ARG H 1 4 ARG HB2 4.140 . 4.140 2.839 2.269 3.895 . 0 0 "[ . 1 . 2]" 1
18 1 4 ARG H 1 4 ARG QB 3.830 . 3.830 2.599 2.244 3.067 . 0 0 "[ . 1 . 2]" 1
19 1 4 ARG H 1 4 ARG HB3 4.140 . 4.140 3.520 2.822 3.883 . 0 0 "[ . 1 . 2]" 1
20 1 4 ARG H 1 4 ARG QG 4.400 . 4.400 2.497 1.927 3.247 . 0 0 "[ . 1 . 2]" 1
21 1 4 ARG H 1 5 THR H 5.250 . 5.250 2.328 1.767 3.799 . 0 0 "[ . 1 . 2]" 1
22 1 4 ARG H 1 5 THR MG 4.470 . 4.470 3.796 2.470 4.589 0.119 11 0 "[ . 1 . 2]" 1
23 1 4 ARG HA 1 4 ARG HD2 5.500 . 5.500 4.712 4.435 5.516 0.016 14 0 "[ . 1 . 2]" 1
24 1 4 ARG HA 1 4 ARG HD3 5.500 . 5.500 4.555 4.140 4.985 . 0 0 "[ . 1 . 2]" 1
25 1 4 ARG HA 1 5 THR H 3.210 . 3.210 3.179 2.382 3.410 0.200 9 0 "[ . 1 . 2]" 1
26 1 4 ARG QB 1 5 THR MG 7.400 . 7.400 3.932 2.993 5.354 . 0 0 "[ . 1 . 2]" 1
27 1 4 ARG HB2 1 5 THR H 5.500 . 5.500 3.783 3.005 4.463 . 0 0 "[ . 1 . 2]" 1
28 1 4 ARG HB3 1 5 THR H 5.500 . 5.500 4.258 3.751 4.497 . 0 0 "[ . 1 . 2]" 1
29 1 4 ARG HG2 1 5 THR H 5.500 . 5.500 4.786 3.175 5.454 . 0 0 "[ . 1 . 2]" 1
30 1 4 ARG HG3 1 5 THR H 5.500 . 5.500 4.348 2.659 5.129 . 0 0 "[ . 1 . 2]" 1
31 1 5 THR H 1 5 THR HB 3.790 . 3.790 3.442 2.696 3.756 . 0 0 "[ . 1 . 2]" 1
32 1 5 THR H 1 6 GLU H 5.130 . 5.130 4.234 3.694 4.597 . 0 0 "[ . 1 . 2]" 1
33 1 5 THR HA 1 5 THR MG 3.640 . 3.640 2.527 2.130 3.225 . 0 0 "[ . 1 . 2]" 1
34 1 5 THR HB 1 6 GLU H 5.500 . 5.500 3.675 2.280 4.442 . 0 0 "[ . 1 . 2]" 1
35 1 5 THR MG 1 6 GLU H 6.490 . 6.490 3.760 2.873 4.325 . 0 0 "[ . 1 . 2]" 1
36 1 6 GLU H 1 6 GLU HG2 5.500 . 5.500 3.464 1.792 5.015 . 0 0 "[ . 1 . 2]" 1
37 1 6 GLU H 1 6 GLU HG3 5.500 . 5.500 3.644 2.461 4.847 . 0 0 "[ . 1 . 2]" 1
38 1 7 TYR H 1 72 ILE HA 4.040 . 4.040 3.536 2.519 4.207 0.167 8 0 "[ . 1 . 2]" 1
39 1 7 TYR QB 1 72 ILE MG 6.220 . 6.220 2.016 1.369 4.176 . 0 0 "[ . 1 . 2]" 1
40 1 7 TYR QD 1 28 LYS QB 8.510 . 8.510 3.512 1.756 6.010 . 0 0 "[ . 1 . 2]" 1
41 1 7 TYR QD 1 70 VAL MG1 8.240 . 8.240 5.749 4.392 7.530 . 0 0 "[ . 1 . 2]" 1
42 1 7 TYR QD 1 70 VAL QG 7.850 . 7.850 4.067 2.698 6.037 . 0 0 "[ . 1 . 2]" 1
43 1 7 TYR QD 1 70 VAL MG2 8.240 . 8.240 4.194 2.710 6.374 . 0 0 "[ . 1 . 2]" 1
44 1 7 TYR QD 1 72 ILE MG 8.650 . 8.650 2.543 1.739 3.584 . 0 0 "[ . 1 . 2]" 1
45 1 7 TYR QE 1 28 LYS HB2 7.630 . 7.630 4.658 2.919 6.924 . 0 0 "[ . 1 . 2]" 1
46 1 7 TYR QE 1 28 LYS HB3 7.630 . 7.630 4.696 2.247 7.668 0.038 10 0 "[ . 1 . 2]" 1
47 1 7 TYR QE 1 28 LYS QG 8.510 . 8.510 3.918 2.164 6.729 . 0 0 "[ . 1 . 2]" 1
48 1 7 TYR QE 1 70 VAL MG1 7.940 . 7.940 5.437 3.137 7.975 0.035 10 0 "[ . 1 . 2]" 1
49 1 7 TYR QE 1 70 VAL QG 7.210 . 7.210 3.674 1.814 6.403 . 0 0 "[ . 1 . 2]" 1
50 1 7 TYR QE 1 70 VAL MG2 7.940 . 7.940 3.769 1.818 6.744 . 0 0 "[ . 1 . 2]" 1
51 1 8 ASP H 1 9 VAL H 5.130 . 5.130 4.258 3.901 4.520 . 0 0 "[ . 1 . 2]" 1
52 1 8 ASP QB 1 27 VAL MG2 5.970 . 5.970 3.892 2.869 4.744 . 0 0 "[ . 1 . 2]" 1
53 1 9 VAL H 1 9 VAL HB 3.920 . 3.920 2.724 2.510 3.852 . 0 0 "[ . 1 . 2]" 1
54 1 9 VAL H 1 27 VAL MG2 6.520 . 6.520 6.365 5.652 6.714 0.194 17 0 "[ . 1 . 2]" 1
55 1 9 VAL HA 1 10 TYR H 3.450 . 3.450 2.170 2.112 2.231 . 0 0 "[ . 1 . 2]" 1
56 1 9 VAL HA 1 26 PHE HA 3.670 . 3.670 3.481 2.539 3.864 0.194 16 0 "[ . 1 . 2]" 1
57 1 9 VAL HB 1 10 TYR H 4.540 . 4.540 4.170 3.417 4.347 . 0 0 "[ . 1 . 2]" 1
58 1 9 VAL HB 1 72 ILE MD 4.380 . 4.380 3.391 1.913 4.458 0.078 13 0 "[ . 1 . 2]" 1
59 1 9 VAL HB 1 74 ILE HA 4.970 . 4.970 4.149 2.198 5.054 0.084 14 0 "[ . 1 . 2]" 1
60 1 9 VAL MG1 1 10 TYR H 4.600 . 4.600 2.881 2.474 3.937 . 0 0 "[ . 1 . 2]" 1
61 1 9 VAL MG1 1 25 ALA MB 7.540 . 7.540 4.563 3.621 5.554 . 0 0 "[ . 1 . 2]" 1
62 1 9 VAL MG1 1 26 PHE HA 5.840 . 5.840 3.051 1.709 4.706 . 0 0 "[ . 1 . 2]" 1
63 1 9 VAL MG1 1 72 ILE MD 6.860 . 6.860 3.541 2.269 4.045 . 0 0 "[ . 1 . 2]" 1
64 1 9 VAL MG1 1 72 ILE HG12 6.520 . 6.520 5.476 3.888 6.611 0.091 9 0 "[ . 1 . 2]" 1
65 1 9 VAL MG1 1 72 ILE HG13 6.520 . 6.520 5.789 4.538 6.639 0.119 4 0 "[ . 1 . 2]" 1
66 1 9 VAL MG1 1 74 ILE HA 6.270 . 6.270 4.557 3.223 5.839 . 0 0 "[ . 1 . 2]" 1
67 1 9 VAL MG2 1 10 TYR H 6.460 . 6.460 4.136 3.979 4.287 . 0 0 "[ . 1 . 2]" 1
68 1 9 VAL MG2 1 26 PHE HA 5.530 . 5.530 3.515 2.296 4.873 . 0 0 "[ . 1 . 2]" 1
69 1 9 VAL MG2 1 72 ILE HA 6.020 . 6.020 4.526 3.577 5.733 . 0 0 "[ . 1 . 2]" 1
70 1 9 VAL MG2 1 72 ILE HB 4.530 . 4.530 2.799 1.993 3.952 . 0 0 "[ . 1 . 2]" 1
71 1 9 VAL MG2 1 72 ILE MD 6.240 . 6.240 2.528 1.647 3.268 . 0 0 "[ . 1 . 2]" 1
72 1 9 VAL MG2 1 72 ILE MG 5.800 . 5.800 3.146 1.951 4.090 . 0 0 "[ . 1 . 2]" 1
73 1 9 VAL MG2 1 73 ARG H 5.650 . 5.650 3.831 2.184 5.642 . 0 0 "[ . 1 . 2]" 1
74 1 9 VAL MG2 1 74 ILE HA 6.180 . 6.180 4.768 2.581 5.931 . 0 0 "[ . 1 . 2]" 1
75 1 10 TYR QD 1 25 ALA MB 8.650 . 8.650 3.854 2.521 6.331 . 0 0 "[ . 1 . 2]" 1
76 1 10 TYR QD 1 27 VAL HB 7.630 . 7.630 4.337 2.656 6.265 . 0 0 "[ . 1 . 2]" 1
77 1 10 TYR QD 1 27 VAL MG1 7.810 . 7.810 2.660 1.687 3.698 . 0 0 "[ . 1 . 2]" 1
78 1 10 TYR QD 1 27 VAL MG2 8.650 . 8.650 4.366 3.512 5.698 . 0 0 "[ . 1 . 2]" 1
79 1 10 TYR QE 1 27 VAL HB 7.630 . 7.630 4.311 1.804 6.723 . 0 0 "[ . 1 . 2]" 1
80 1 10 TYR QE 1 27 VAL MG1 8.220 . 8.220 2.827 1.948 4.567 . 0 0 "[ . 1 . 2]" 1
81 1 10 TYR QE 1 27 VAL MG2 8.650 . 8.650 3.679 2.335 5.788 . 0 0 "[ . 1 . 2]" 1
82 1 15 TYR HA 1 16 VAL H 2.930 . 2.930 2.267 2.111 2.515 . 0 0 "[ . 1 . 2]" 1
83 1 15 TYR HA 1 20 TYR HA 3.480 . 3.480 2.834 1.841 3.579 0.099 3 0 "[ . 1 . 2]" 1
84 1 15 TYR QD 1 16 VAL H 7.630 . 7.630 3.844 2.914 4.813 . 0 0 "[ . 1 . 2]" 1
85 1 16 VAL H 1 16 VAL HB 3.950 . 3.950 3.247 2.903 3.531 . 0 0 "[ . 1 . 2]" 1
86 1 16 VAL H 1 16 VAL MG2 4.660 . 4.660 3.950 3.808 4.057 . 0 0 "[ . 1 . 2]" 1
87 1 16 VAL MG1 1 17 ASN H 5.160 . 5.160 3.881 3.454 4.196 . 0 0 "[ . 1 . 2]" 1
88 1 16 VAL MG1 1 17 ASN HA 6.520 . 6.520 4.967 4.522 5.353 . 0 0 "[ . 1 . 2]" 1
89 1 16 VAL MG1 1 17 ASN HB2 5.280 . 5.280 3.256 2.932 3.745 . 0 0 "[ . 1 . 2]" 1
90 1 16 VAL MG1 1 17 ASN QB 5.150 . 5.150 3.173 2.858 3.670 . 0 0 "[ . 1 . 2]" 1
91 1 16 VAL MG1 1 17 ASN HB3 5.280 . 5.280 4.635 3.243 5.262 . 0 0 "[ . 1 . 2]" 1
92 1 16 VAL MG1 1 17 ASN HD21 6.330 . 6.330 3.945 1.626 6.344 0.014 8 0 "[ . 1 . 2]" 1
93 1 16 VAL MG1 1 17 ASN HD22 6.330 . 6.330 4.735 2.729 6.385 0.055 8 0 "[ . 1 . 2]" 1
94 1 16 VAL MG2 1 17 ASN H 6.520 . 6.520 2.515 2.011 3.024 . 0 0 "[ . 1 . 2]" 1
95 1 16 VAL MG2 1 17 ASN HA 5.400 . 5.400 3.795 3.405 4.273 . 0 0 "[ . 1 . 2]" 1
96 1 16 VAL MG2 1 17 ASN HB2 5.560 . 5.560 3.104 2.218 3.751 . 0 0 "[ . 1 . 2]" 1
97 1 16 VAL MG2 1 17 ASN QB 5.320 . 5.320 3.024 2.192 3.570 . 0 0 "[ . 1 . 2]" 1
98 1 16 VAL MG2 1 17 ASN HB3 5.560 . 5.560 4.227 3.308 4.475 . 0 0 "[ . 1 . 2]" 1
99 1 16 VAL MG2 1 17 ASN HD21 5.150 . 5.150 2.837 1.468 4.775 . 0 0 "[ . 1 . 2]" 1
100 1 16 VAL MG2 1 17 ASN HD22 5.190 . 5.190 3.249 2.358 5.258 0.068 4 0 "[ . 1 . 2]" 1
101 1 17 ASN HD21 1 18 GLY H 5.500 . 5.500 5.215 4.608 5.567 0.067 16 0 "[ . 1 . 2]" 1
102 1 18 GLY H 1 19 GLN H 3.730 . 3.730 2.650 2.539 2.876 . 0 0 "[ . 1 . 2]" 1
103 1 19 GLN H 1 19 GLN HB2 3.830 . 3.830 2.770 2.160 3.798 . 0 0 "[ . 1 . 2]" 1
104 1 19 GLN H 1 19 GLN QB 3.630 . 3.630 2.552 2.139 3.116 . 0 0 "[ . 1 . 2]" 1
105 1 19 GLN H 1 19 GLN HB3 3.830 . 3.830 3.511 2.803 3.761 . 0 0 "[ . 1 . 2]" 1
106 1 19 GLN H 1 19 GLN HG2 4.420 . 4.420 2.973 1.948 4.182 . 0 0 "[ . 1 . 2]" 1
107 1 19 GLN H 1 19 GLN HG3 4.420 . 4.420 3.468 2.591 4.231 . 0 0 "[ . 1 . 2]" 1
108 1 19 GLN H 1 20 TYR H 4.570 . 4.570 4.491 4.386 4.568 . 0 0 "[ . 1 . 2]" 1
109 1 19 GLN QB 1 20 TYR H 4.010 . 4.010 2.958 2.537 3.298 . 0 0 "[ . 1 . 2]" 1
110 1 19 GLN QB 1 135 LEU MD2 4.530 . 4.530 2.403 1.579 3.564 . 0 0 "[ . 1 . 2]" 1
111 1 19 GLN HB2 1 20 TYR H 4.570 . 4.570 3.806 2.580 4.404 . 0 0 "[ . 1 . 2]" 1
112 1 19 GLN HB2 1 135 LEU MD2 4.840 . 4.840 3.209 1.922 4.621 . 0 0 "[ . 1 . 2]" 1
113 1 19 GLN HB3 1 20 TYR H 4.570 . 4.570 3.301 2.697 4.147 . 0 0 "[ . 1 . 2]" 1
114 1 19 GLN HB3 1 135 LEU MD2 4.840 . 4.840 2.820 1.585 4.555 . 0 0 "[ . 1 . 2]" 1
115 1 19 GLN QG 1 135 LEU MD2 5.130 . 5.130 3.602 2.752 4.746 . 0 0 "[ . 1 . 2]" 1
116 1 19 GLN HG2 1 135 LEU MD2 5.400 . 5.400 4.473 2.861 5.436 0.036 20 0 "[ . 1 . 2]" 1
117 1 19 GLN HG3 1 135 LEU MD2 5.400 . 5.400 3.952 2.912 5.466 0.066 2 0 "[ . 1 . 2]" 1
118 1 20 TYR H 1 135 LEU MD2 6.520 . 6.520 3.741 3.013 5.465 . 0 0 "[ . 1 . 2]" 1
119 1 20 TYR HA 1 135 LEU MD2 6.490 . 6.490 3.990 3.046 5.131 . 0 0 "[ . 1 . 2]" 1
120 1 20 TYR QB 1 135 LEU MD2 6.210 . 6.210 4.883 4.316 5.785 . 0 0 "[ . 1 . 2]" 1
121 1 20 TYR HB2 1 135 LEU MD2 6.520 . 6.520 5.487 4.695 6.555 0.035 16 0 "[ . 1 . 2]" 1
122 1 20 TYR HB3 1 135 LEU MD2 6.520 . 6.520 5.498 4.997 6.436 . 0 0 "[ . 1 . 2]" 1
123 1 20 TYR QD 1 21 ALA H 7.630 . 7.630 3.638 3.264 4.298 . 0 0 "[ . 1 . 2]" 1
124 1 20 TYR QD 1 135 LEU MD2 8.650 . 8.650 5.319 4.691 6.455 . 0 0 "[ . 1 . 2]" 1
125 1 21 ALA H 1 135 LEU MD2 6.080 . 6.080 3.949 3.252 5.381 . 0 0 "[ . 1 . 2]" 1
126 1 21 ALA HA 1 22 TRP H 3.210 . 3.210 2.401 2.181 2.522 . 0 0 "[ . 1 . 2]" 1
127 1 21 ALA HA 1 39 VAL HA 4.480 . 4.480 2.712 1.931 3.766 . 0 0 "[ . 1 . 2]" 1
128 1 21 ALA HA 1 39 VAL MG1 5.370 . 5.370 3.473 2.730 4.897 . 0 0 "[ . 1 . 2]" 1
129 1 21 ALA HA 1 39 VAL MG2 6.520 . 6.520 5.016 3.380 6.211 . 0 0 "[ . 1 . 2]" 1
130 1 21 ALA HA 1 40 GLY H 4.350 . 4.350 3.384 2.431 4.413 0.063 9 0 "[ . 1 . 2]" 1
131 1 21 ALA HA 1 134 ALA MB 6.210 . 6.210 5.552 4.791 6.223 0.013 4 0 "[ . 1 . 2]" 1
132 1 21 ALA HA 1 135 LEU MD1 6.520 . 6.520 4.832 3.945 5.930 . 0 0 "[ . 1 . 2]" 1
133 1 21 ALA MB 1 22 TRP H 4.040 . 4.040 2.534 2.279 3.031 . 0 0 "[ . 1 . 2]" 1
134 1 21 ALA MB 1 38 ASP HA 6.520 . 6.520 4.277 3.655 5.503 . 0 0 "[ . 1 . 2]" 1
135 1 21 ALA MB 1 39 VAL HA 4.780 . 4.780 2.684 1.789 3.633 . 0 0 "[ . 1 . 2]" 1
136 1 21 ALA MB 1 39 VAL HB 6.120 . 6.120 4.097 3.161 4.609 . 0 0 "[ . 1 . 2]" 1
137 1 21 ALA MB 1 39 VAL MG1 5.490 . 5.490 2.418 1.627 3.251 . 0 0 "[ . 1 . 2]" 1
138 1 21 ALA MB 1 39 VAL MG2 7.540 . 7.540 4.083 1.879 4.988 . 0 0 "[ . 1 . 2]" 1
139 1 21 ALA MB 1 40 GLY H 6.520 . 6.520 4.130 2.686 5.019 . 0 0 "[ . 1 . 2]" 1
140 1 21 ALA MB 1 134 ALA H 5.960 . 5.960 5.171 4.421 5.950 . 0 0 "[ . 1 . 2]" 1
141 1 21 ALA MB 1 135 LEU MD1 7.540 . 7.540 2.964 2.065 4.247 . 0 0 "[ . 1 . 2]" 1
142 1 21 ALA MB 1 135 LEU MD2 5.860 . 5.860 2.068 1.692 3.283 . 0 0 "[ . 1 . 2]" 1
143 1 22 TRP H 1 22 TRP HD1 5.500 . 5.500 2.381 1.459 2.760 . 0 0 "[ . 1 . 2]" 1
144 1 22 TRP H 1 39 VAL HA 4.260 . 4.260 3.241 2.875 3.722 . 0 0 "[ . 1 . 2]" 1
145 1 22 TRP HA 1 23 ALA H 3.480 . 3.480 2.140 2.100 2.216 . 0 0 "[ . 1 . 2]" 1
146 1 22 TRP HD1 1 38 ASP QB 6.380 . 6.380 4.326 2.374 5.398 . 0 0 "[ . 1 . 2]" 1
147 1 22 TRP HD1 1 39 VAL MG1 5.590 . 5.590 5.144 4.408 5.606 0.016 18 0 "[ . 1 . 2]" 1
148 1 22 TRP HD1 1 39 VAL MG2 5.900 . 5.900 5.401 4.548 5.904 0.004 18 0 "[ . 1 . 2]" 1
149 1 22 TRP HD1 1 41 LYS QG 6.380 . 6.380 3.844 1.980 5.553 . 0 0 "[ . 1 . 2]" 1
150 1 22 TRP HE1 1 38 ASP HB2 5.190 . 5.190 4.566 3.726 5.254 0.064 16 0 "[ . 1 . 2]" 1
151 1 22 TRP HE1 1 38 ASP QB 4.680 . 4.680 2.892 2.043 3.790 . 0 0 "[ . 1 . 2]" 1
152 1 22 TRP HE1 1 38 ASP HB3 5.190 . 5.190 2.929 2.052 3.890 . 0 0 "[ . 1 . 2]" 1
153 1 22 TRP HE1 1 41 LYS HG2 5.500 . 5.500 4.551 2.998 5.605 0.105 20 0 "[ . 1 . 2]" 1
154 1 22 TRP HE1 1 41 LYS HG3 5.500 . 5.500 4.488 2.449 5.568 0.068 12 0 "[ . 1 . 2]" 1
155 1 22 TRP HZ2 1 38 ASP HB2 5.500 . 5.500 3.907 2.942 5.780 0.280 20 0 "[ . 1 . 2]" 1
156 1 22 TRP HZ2 1 38 ASP QB 5.200 . 5.200 2.882 2.283 4.500 . 0 0 "[ . 1 . 2]" 1
157 1 22 TRP HZ2 1 38 ASP HB3 5.500 . 5.500 2.978 2.316 4.692 . 0 0 "[ . 1 . 2]" 1
158 1 23 ALA HA 1 24 TYR H 3.050 . 3.050 2.238 2.144 2.464 . 0 0 "[ . 1 . 2]" 1
159 1 23 ALA HA 1 37 ALA HA 3.610 . 3.610 2.455 1.979 3.476 . 0 0 "[ . 1 . 2]" 1
160 1 23 ALA HA 1 37 ALA MB 4.600 . 4.600 2.988 2.059 4.086 . 0 0 "[ . 1 . 2]" 1
161 1 23 ALA HA 1 38 ASP H 4.110 . 4.110 3.744 3.111 4.141 0.031 12 0 "[ . 1 . 2]" 1
162 1 23 ALA MB 1 37 ALA HA 6.520 . 6.520 2.925 1.865 4.492 . 0 0 "[ . 1 . 2]" 1
163 1 23 ALA MB 1 37 ALA MB 6.270 . 6.270 2.093 1.738 2.639 . 0 0 "[ . 1 . 2]" 1
164 1 23 ALA MB 1 127 VAL HB 5.900 . 5.900 4.003 1.580 5.622 . 0 0 "[ . 1 . 2]" 1
165 1 23 ALA MB 1 127 VAL MG2 7.540 . 7.540 2.312 1.423 4.231 . 0 0 "[ . 1 . 2]" 1
166 1 23 ALA MB 1 131 ALA H 5.030 . 5.030 4.029 3.366 5.026 . 0 0 "[ . 1 . 2]" 1
167 1 23 ALA MB 1 131 ALA HA 5.280 . 5.280 3.873 3.327 4.626 . 0 0 "[ . 1 . 2]" 1
168 1 24 TYR H 1 37 ALA HA 4.230 . 4.230 3.797 3.308 4.326 0.096 12 0 "[ . 1 . 2]" 1
169 1 24 TYR H 1 37 ALA MB 6.520 . 6.520 3.863 2.744 4.697 . 0 0 "[ . 1 . 2]" 1
170 1 24 TYR HA 1 127 VAL HB 5.500 . 5.500 5.316 4.346 5.639 0.139 17 0 "[ . 1 . 2]" 1
171 1 24 TYR HA 1 127 VAL MG2 5.000 . 5.000 3.640 2.937 4.692 . 0 0 "[ . 1 . 2]" 1
172 1 24 TYR HB2 1 25 ALA H 5.470 . 5.470 3.441 2.045 4.336 . 0 0 "[ . 1 . 2]" 1
173 1 24 TYR HB3 1 25 ALA H 5.470 . 5.470 3.412 2.839 4.134 . 0 0 "[ . 1 . 2]" 1
174 1 25 ALA H 1 26 PHE H 5.310 . 5.310 4.079 3.727 4.394 . 0 0 "[ . 1 . 2]" 1
175 1 25 ALA H 1 127 VAL MG2 5.430 . 5.430 4.039 3.373 5.435 0.005 15 0 "[ . 1 . 2]" 1
176 1 25 ALA HA 1 32 VAL QG 6.830 . 6.830 3.468 2.869 4.131 . 0 0 "[ . 1 . 2]" 1
177 1 25 ALA MB 1 27 VAL MG1 7.480 . 7.480 3.709 2.929 4.503 . 0 0 "[ . 1 . 2]" 1
178 1 25 ALA MB 1 27 VAL MG2 7.540 . 7.540 4.916 4.535 5.489 . 0 0 "[ . 1 . 2]" 1
179 1 25 ALA MB 1 32 VAL QG 7.820 . 7.820 2.495 1.969 3.523 . 0 0 "[ . 1 . 2]" 1
180 1 25 ALA MB 1 126 TYR QD 8.240 . 8.240 4.675 3.264 6.226 . 0 0 "[ . 1 . 2]" 1
181 1 25 ALA MB 1 127 VAL MG2 6.730 . 6.730 2.972 1.439 5.397 . 0 0 "[ . 1 . 2]" 1
182 1 26 PHE HA 1 27 VAL H 3.520 . 3.520 2.126 2.074 2.173 . 0 0 "[ . 1 . 2]" 1
183 1 26 PHE QD 1 55 ILE HB 7.630 . 7.630 7.143 6.113 7.727 0.097 20 0 "[ . 1 . 2]" 1
184 1 26 PHE QD 1 55 ILE MD 8.650 . 8.650 5.456 2.731 8.207 . 0 0 "[ . 1 . 2]" 1
185 1 26 PHE QD 1 55 ILE MG 7.810 . 7.810 5.192 3.929 6.537 . 0 0 "[ . 1 . 2]" 1
186 1 26 PHE QE 1 55 ILE MD 8.590 . 8.590 4.007 1.949 6.682 . 0 0 "[ . 1 . 2]" 1
187 1 26 PHE QE 1 55 ILE MG 8.400 . 8.400 3.678 2.239 5.240 . 0 0 "[ . 1 . 2]" 1
188 1 27 VAL H 1 27 VAL HB 3.860 . 3.860 3.122 2.718 3.382 . 0 0 "[ . 1 . 2]" 1
189 1 27 VAL HA 1 28 LYS H 3.140 . 3.140 2.152 2.087 2.270 . 0 0 "[ . 1 . 2]" 1
190 1 27 VAL HA 1 32 VAL HA 4.010 . 4.010 2.156 1.593 2.963 . 0 0 "[ . 1 . 2]" 1
191 1 27 VAL HA 1 32 VAL QG 6.950 . 6.950 3.162 2.522 3.895 . 0 0 "[ . 1 . 2]" 1
192 1 27 VAL HA 1 33 HIS H 4.350 . 4.350 3.045 2.527 3.749 . 0 0 "[ . 1 . 2]" 1
193 1 27 VAL HB 1 28 LYS H 4.660 . 4.660 4.083 3.878 4.288 . 0 0 "[ . 1 . 2]" 1
194 1 27 VAL MG1 1 28 LYS H 5.430 . 5.430 4.090 3.684 4.278 . 0 0 "[ . 1 . 2]" 1
195 1 27 VAL MG1 1 32 VAL HA 4.850 . 4.850 4.468 3.997 4.906 0.056 13 0 "[ . 1 . 2]" 1
196 1 27 VAL MG1 1 32 VAL QG 7.600 . 7.600 3.669 2.921 4.665 . 0 0 "[ . 1 . 2]" 1
197 1 27 VAL MG1 1 33 HIS H 6.240 . 6.240 5.455 5.116 6.100 . 0 0 "[ . 1 . 2]" 1
198 1 27 VAL MG1 1 123 PHE HB2 6.520 . 6.520 4.396 3.209 6.069 . 0 0 "[ . 1 . 2]" 1
199 1 27 VAL MG1 1 123 PHE QB 5.780 . 5.780 3.815 2.892 5.163 . 0 0 "[ . 1 . 2]" 1
200 1 27 VAL MG1 1 123 PHE HB3 6.520 . 6.520 4.225 3.183 5.653 . 0 0 "[ . 1 . 2]" 1
201 1 27 VAL MG1 1 123 PHE QD 8.650 . 8.650 4.255 3.003 5.658 . 0 0 "[ . 1 . 2]" 1
202 1 27 VAL MG1 1 123 PHE QE 8.650 . 8.650 4.955 3.182 6.667 . 0 0 "[ . 1 . 2]" 1
203 1 27 VAL MG2 1 28 LYS H 4.190 . 4.190 2.648 2.290 3.101 . 0 0 "[ . 1 . 2]" 1
204 1 27 VAL MG2 1 30 GLY H 4.910 . 4.910 2.596 2.041 3.971 . 0 0 "[ . 1 . 2]" 1
205 1 27 VAL MG2 1 30 GLY HA2 6.390 . 6.390 2.759 2.347 4.174 . 0 0 "[ . 1 . 2]" 1
206 1 27 VAL MG2 1 30 GLY QA 5.850 . 5.850 2.707 2.318 4.031 . 0 0 "[ . 1 . 2]" 1
207 1 27 VAL MG2 1 30 GLY HA3 6.390 . 6.390 3.962 3.591 5.320 . 0 0 "[ . 1 . 2]" 1
208 1 27 VAL MG2 1 31 LYS H 4.260 . 4.260 2.893 2.379 3.598 . 0 0 "[ . 1 . 2]" 1
209 1 27 VAL MG2 1 123 PHE QD 8.650 . 8.650 3.815 3.001 5.099 . 0 0 "[ . 1 . 2]" 1
210 1 27 VAL MG2 1 123 PHE QE 8.650 . 8.650 3.660 2.604 5.072 . 0 0 "[ . 1 . 2]" 1
211 1 27 VAL MG2 1 123 PHE HZ 6.430 . 6.430 4.250 2.609 6.046 . 0 0 "[ . 1 . 2]" 1
212 1 28 LYS H 1 31 LYS H 3.580 . 3.580 3.185 2.820 3.602 0.022 12 0 "[ . 1 . 2]" 1
213 1 28 LYS HB2 1 28 LYS HE2 5.500 . 5.500 3.842 2.281 5.478 . 0 0 "[ . 1 . 2]" 1
214 1 28 LYS HB2 1 28 LYS HE3 5.500 . 5.500 3.757 1.962 4.992 . 0 0 "[ . 1 . 2]" 1
215 1 28 LYS HB3 1 28 LYS HE2 5.500 . 5.500 3.949 2.050 5.468 . 0 0 "[ . 1 . 2]" 1
216 1 28 LYS HB3 1 28 LYS HE3 5.500 . 5.500 3.882 2.170 5.499 . 0 0 "[ . 1 . 2]" 1
217 1 29 ASP H 1 30 GLY H 5.500 . 5.500 2.609 2.401 2.946 . 0 0 "[ . 1 . 2]" 1
218 1 30 GLY H 1 31 LYS H 3.950 . 3.950 2.446 2.314 2.706 . 0 0 "[ . 1 . 2]" 1
219 1 30 GLY QA 1 123 PHE HZ 6.380 . 6.380 4.064 2.081 5.696 . 0 0 "[ . 1 . 2]" 1
220 1 31 LYS H 1 31 LYS HB2 3.860 . 3.860 2.893 2.411 3.936 0.076 10 0 "[ . 1 . 2]" 1
221 1 31 LYS H 1 31 LYS HB3 3.860 . 3.860 3.619 3.025 3.755 . 0 0 "[ . 1 . 2]" 1
222 1 31 LYS H 1 31 LYS HD2 5.500 . 5.500 3.925 2.623 5.324 . 0 0 "[ . 1 . 2]" 1
223 1 31 LYS H 1 31 LYS HD3 5.500 . 5.500 3.499 2.427 4.953 . 0 0 "[ . 1 . 2]" 1
224 1 31 LYS H 1 31 LYS HE2 5.500 . 5.500 4.814 2.757 5.504 0.004 19 0 "[ . 1 . 2]" 1
225 1 31 LYS H 1 31 LYS HE3 5.500 . 5.500 4.890 3.835 5.535 0.035 6 0 "[ . 1 . 2]" 1
226 1 31 LYS H 1 31 LYS HG2 5.040 . 5.040 3.275 2.200 4.269 . 0 0 "[ . 1 . 2]" 1
227 1 31 LYS H 1 31 LYS QG 4.670 . 4.670 2.773 2.018 3.765 . 0 0 "[ . 1 . 2]" 1
228 1 31 LYS H 1 31 LYS HG3 5.040 . 5.040 3.564 2.030 4.204 . 0 0 "[ . 1 . 2]" 1
229 1 31 LYS H 1 32 VAL H 4.820 . 4.820 4.436 4.323 4.523 . 0 0 "[ . 1 . 2]" 1
230 1 31 LYS HA 1 31 LYS HD2 5.500 . 5.500 3.460 2.732 5.518 0.018 11 0 "[ . 1 . 2]" 1
231 1 31 LYS HA 1 31 LYS HD3 5.500 . 5.500 3.305 2.009 5.081 . 0 0 "[ . 1 . 2]" 1
232 1 31 LYS HA 1 31 LYS HE2 5.500 . 5.500 4.691 3.162 5.366 . 0 0 "[ . 1 . 2]" 1
233 1 31 LYS HA 1 31 LYS HE3 5.500 . 5.500 4.751 1.569 5.821 0.321 4 0 "[ . 1 . 2]" 1
234 1 31 LYS HA 1 32 VAL H 3.520 . 3.520 2.221 2.115 2.602 . 0 0 "[ . 1 . 2]" 1
235 1 31 LYS HB2 1 31 LYS HE2 5.500 . 5.500 4.296 1.990 5.496 . 0 0 "[ . 1 . 2]" 1
236 1 31 LYS HB2 1 31 LYS HE3 5.500 . 5.500 4.484 3.042 5.499 . 0 0 "[ . 1 . 2]" 1
237 1 31 LYS HB2 1 32 VAL H 3.950 . 3.950 3.640 2.082 4.101 0.151 7 0 "[ . 1 . 2]" 1
238 1 31 LYS HB3 1 31 LYS HE2 5.500 . 5.500 4.390 2.209 4.797 . 0 0 "[ . 1 . 2]" 1
239 1 31 LYS HB3 1 31 LYS HE3 5.500 . 5.500 4.500 2.776 5.503 0.003 5 0 "[ . 1 . 2]" 1
240 1 31 LYS HB3 1 32 VAL H 3.950 . 3.950 3.222 2.543 3.996 0.046 12 0 "[ . 1 . 2]" 1
241 1 31 LYS HD2 1 32 VAL H 5.500 . 5.500 4.775 3.426 5.594 0.094 11 0 "[ . 1 . 2]" 1
242 1 31 LYS HD3 1 32 VAL H 5.500 . 5.500 4.648 3.620 5.665 0.165 2 0 "[ . 1 . 2]" 1
243 1 31 LYS HG2 1 32 VAL H 5.500 . 5.500 5.044 4.587 5.332 . 0 0 "[ . 1 . 2]" 1
244 1 31 LYS HG3 1 32 VAL H 5.500 . 5.500 4.770 3.696 5.540 0.040 3 0 "[ . 1 . 2]" 1
245 1 32 VAL H 1 32 VAL HB 3.080 . 3.080 2.660 2.525 3.059 . 0 0 "[ . 1 . 2]" 1
246 1 32 VAL H 1 32 VAL QG 4.190 . 4.190 2.207 1.911 2.569 . 0 0 "[ . 1 . 2]" 1
247 1 32 VAL H 1 33 HIS H 4.600 . 4.600 4.397 4.195 4.614 0.014 10 0 "[ . 1 . 2]" 1
248 1 32 VAL HA 1 33 HIS H 3.420 . 3.420 2.161 2.122 2.308 . 0 0 "[ . 1 . 2]" 1
249 1 32 VAL QG 1 33 HIS H 5.390 . 5.390 2.790 2.200 3.185 . 0 0 "[ . 1 . 2]" 1
250 1 32 VAL QG 1 34 TYR H 5.590 . 5.590 2.625 2.256 2.975 . 0 0 "[ . 1 . 2]" 1
251 1 32 VAL QG 1 123 PHE QD 8.830 . 8.830 2.894 1.786 5.177 . 0 0 "[ . 1 . 2]" 1
252 1 32 VAL QG 1 123 PHE QE 9.050 . 9.050 3.230 2.205 4.340 . 0 0 "[ . 1 . 2]" 1
253 1 32 VAL QG 1 126 TYR QE 9.740 . 9.740 4.177 2.076 6.053 . 0 0 "[ . 1 . 2]" 1
254 1 32 VAL MG1 1 33 HIS H 6.300 . 6.300 3.244 2.683 4.216 . 0 0 "[ . 1 . 2]" 1
255 1 32 VAL MG1 1 126 TYR QD 8.650 . 8.650 4.617 2.892 7.240 . 0 0 "[ . 1 . 2]" 1
256 1 32 VAL MG2 1 33 HIS H 6.300 . 6.300 3.704 2.218 4.253 . 0 0 "[ . 1 . 2]" 1
257 1 32 VAL MG2 1 126 TYR QD 8.650 . 8.650 4.715 3.307 6.072 . 0 0 "[ . 1 . 2]" 1
258 1 33 HIS H 1 33 HIS HB2 4.140 . 4.140 2.611 2.198 3.629 . 0 0 "[ . 1 . 2]" 1
259 1 33 HIS H 1 33 HIS HB3 4.140 . 4.140 2.840 2.457 3.690 . 0 0 "[ . 1 . 2]" 1
260 1 33 HIS H 1 34 TYR H 3.300 . 3.300 2.342 2.015 2.682 . 0 0 "[ . 1 . 2]" 1
261 1 33 HIS QB 1 34 TYR H 3.890 . 3.890 2.728 2.106 3.436 . 0 0 "[ . 1 . 2]" 1
262 1 33 HIS HB2 1 34 TYR H 4.230 . 4.230 3.634 2.296 4.077 . 0 0 "[ . 1 . 2]" 1
263 1 33 HIS HB3 1 34 TYR H 4.230 . 4.230 2.954 2.121 4.117 . 0 0 "[ . 1 . 2]" 1
264 1 34 TYR H 1 34 TYR QB 3.840 . 3.840 2.769 2.566 3.367 . 0 0 "[ . 1 . 2]" 1
265 1 34 TYR H 1 34 TYR QE 6.420 . 6.420 5.474 4.619 6.405 . 0 0 "[ . 1 . 2]" 1
266 1 34 TYR HA 1 35 GLU H 3.140 . 3.140 2.223 2.136 2.363 . 0 0 "[ . 1 . 2]" 1
267 1 34 TYR QB 1 35 GLU H 3.960 . 3.960 2.938 2.596 3.609 . 0 0 "[ . 1 . 2]" 1
268 1 34 TYR HB2 1 35 GLU H 4.140 . 4.140 3.946 2.694 4.250 0.110 3 0 "[ . 1 . 2]" 1
269 1 34 TYR HB3 1 35 GLU H 4.140 . 4.140 3.149 2.645 4.151 0.011 4 0 "[ . 1 . 2]" 1
270 1 34 TYR QD 1 35 GLU H 7.630 . 7.630 3.475 2.257 4.230 . 0 0 "[ . 1 . 2]" 1
271 1 34 TYR QE 1 35 GLU H 7.630 . 7.630 5.486 4.048 6.371 . 0 0 "[ . 1 . 2]" 1
272 1 35 GLU H 1 35 GLU HG2 5.500 . 5.500 3.577 2.125 5.001 . 0 0 "[ . 1 . 2]" 1
273 1 35 GLU H 1 35 GLU HG3 5.500 . 5.500 3.679 2.472 5.009 . 0 0 "[ . 1 . 2]" 1
274 1 36 ASP HA 1 37 ALA H 3.330 . 3.330 2.432 2.197 2.553 . 0 0 "[ . 1 . 2]" 1
275 1 36 ASP HB2 1 37 ALA H 4.760 . 4.760 3.756 2.239 4.248 . 0 0 "[ . 1 . 2]" 1
276 1 36 ASP HB3 1 37 ALA H 4.760 . 4.760 3.282 2.795 3.894 . 0 0 "[ . 1 . 2]" 1
277 1 37 ALA H 1 38 ASP H 4.970 . 4.970 4.124 3.556 4.366 . 0 0 "[ . 1 . 2]" 1
278 1 37 ALA HA 1 38 ASP H 3.110 . 3.110 2.216 2.154 2.371 . 0 0 "[ . 1 . 2]" 1
279 1 37 ALA HA 1 130 LYS QB 6.380 . 6.380 4.983 4.112 6.046 . 0 0 "[ . 1 . 2]" 1
280 1 37 ALA MB 1 38 ASP H 4.260 . 4.260 2.988 2.550 3.429 . 0 0 "[ . 1 . 2]" 1
281 1 37 ALA MB 1 130 LYS HA 6.520 . 6.520 4.389 3.843 5.305 . 0 0 "[ . 1 . 2]" 1
282 1 37 ALA MB 1 130 LYS HB2 5.650 . 5.650 3.634 2.438 5.246 . 0 0 "[ . 1 . 2]" 1
283 1 37 ALA MB 1 130 LYS QB 4.960 . 4.960 2.550 1.756 3.972 . 0 0 "[ . 1 . 2]" 1
284 1 37 ALA MB 1 130 LYS HB3 5.650 . 5.650 2.630 1.801 4.114 . 0 0 "[ . 1 . 2]" 1
285 1 37 ALA MB 1 131 ALA HA 6.120 . 6.120 2.707 2.002 4.414 . 0 0 "[ . 1 . 2]" 1
286 1 38 ASP HA 1 39 VAL H 3.050 . 3.050 2.490 2.310 2.618 . 0 0 "[ . 1 . 2]" 1
287 1 38 ASP HA 1 39 VAL MG1 6.520 . 6.520 3.814 3.321 5.354 . 0 0 "[ . 1 . 2]" 1
288 1 38 ASP HA 1 39 VAL MG2 6.080 . 6.080 3.692 3.024 4.003 . 0 0 "[ . 1 . 2]" 1
289 1 38 ASP HA 1 134 ALA MB 5.190 . 5.190 3.278 1.723 5.185 . 0 0 "[ . 1 . 2]" 1
290 1 38 ASP QB 1 39 VAL H 3.920 . 3.920 3.029 2.697 3.382 . 0 0 "[ . 1 . 2]" 1
291 1 38 ASP HB2 1 39 VAL H 4.230 . 4.230 3.869 3.696 4.218 . 0 0 "[ . 1 . 2]" 1
292 1 38 ASP HB3 1 39 VAL H 4.230 . 4.230 3.189 2.759 3.747 . 0 0 "[ . 1 . 2]" 1
293 1 39 VAL H 1 39 VAL HB 3.550 . 3.550 3.533 2.797 3.762 0.212 13 0 "[ . 1 . 2]" 1
294 1 39 VAL H 1 39 VAL MG1 4.750 . 4.750 2.851 2.386 3.926 . 0 0 "[ . 1 . 2]" 1
295 1 39 VAL H 1 39 VAL MG2 4.040 . 4.040 1.970 1.787 2.448 . 0 0 "[ . 1 . 2]" 1
296 1 39 VAL H 1 40 GLY H 5.220 . 5.220 4.497 4.416 4.599 . 0 0 "[ . 1 . 2]" 1
297 1 39 VAL H 1 134 ALA MB 5.810 . 5.810 3.924 2.216 5.841 0.031 9 0 "[ . 1 . 2]" 1
298 1 39 VAL HA 1 40 GLY H 3.420 . 3.420 2.350 2.125 2.632 . 0 0 "[ . 1 . 2]" 1
299 1 39 VAL HB 1 40 GLY H 3.550 . 3.550 2.719 1.973 3.801 0.251 2 0 "[ . 1 . 2]" 1
300 1 39 VAL MG1 1 40 GLY H 5.160 . 5.160 3.423 2.055 3.812 . 0 0 "[ . 1 . 2]" 1
301 1 39 VAL MG1 1 134 ALA MB 7.540 . 7.540 2.785 1.724 4.626 . 0 0 "[ . 1 . 2]" 1
302 1 39 VAL MG2 1 40 GLY H 4.780 . 4.780 3.652 3.071 4.151 . 0 0 "[ . 1 . 2]" 1
303 1 39 VAL MG2 1 134 ALA MB 7.540 . 7.540 3.523 1.983 5.187 . 0 0 "[ . 1 . 2]" 1
304 1 40 GLY HA2 1 41 LYS H 3.520 . 3.520 2.299 2.119 2.750 . 0 0 "[ . 1 . 2]" 1
305 1 40 GLY HA3 1 41 LYS H 3.520 . 3.520 3.270 2.379 3.547 0.027 9 0 "[ . 1 . 2]" 1
306 1 41 LYS H 1 41 LYS HB2 4.200 . 4.200 2.784 2.380 3.843 . 0 0 "[ . 1 . 2]" 1
307 1 41 LYS H 1 41 LYS QB 3.890 . 3.890 2.562 2.221 3.112 . 0 0 "[ . 1 . 2]" 1
308 1 41 LYS H 1 41 LYS HB3 4.200 . 4.200 3.346 2.562 3.826 . 0 0 "[ . 1 . 2]" 1
309 1 41 LYS H 1 41 LYS HD2 5.500 . 5.500 4.857 4.059 5.556 0.056 11 0 "[ . 1 . 2]" 1
310 1 41 LYS H 1 41 LYS HD3 5.500 . 5.500 4.782 4.073 5.527 0.027 10 0 "[ . 1 . 2]" 1
311 1 41 LYS H 1 41 LYS HG2 5.500 . 5.500 3.663 2.135 4.478 . 0 0 "[ . 1 . 2]" 1
312 1 41 LYS H 1 41 LYS HG3 5.500 . 5.500 3.310 2.115 4.673 . 0 0 "[ . 1 . 2]" 1
313 1 41 LYS H 1 42 ASN H 4.200 . 4.200 4.151 3.722 4.453 0.253 16 0 "[ . 1 . 2]" 1
314 1 41 LYS HA 1 41 LYS HD2 5.500 . 5.500 4.623 3.667 5.532 0.032 2 0 "[ . 1 . 2]" 1
315 1 41 LYS HA 1 41 LYS HD3 5.500 . 5.500 4.365 2.935 5.501 0.001 4 0 "[ . 1 . 2]" 1
316 1 41 LYS HA 1 41 LYS HE2 5.500 . 5.500 4.838 1.642 5.588 0.088 15 0 "[ . 1 . 2]" 1
317 1 41 LYS HA 1 41 LYS HE3 5.500 . 5.500 4.819 3.158 5.574 0.074 8 0 "[ . 1 . 2]" 1
318 1 41 LYS HA 1 42 ASN H 3.550 . 3.550 2.378 2.135 2.755 . 0 0 "[ . 1 . 2]" 1
319 1 41 LYS HB2 1 41 LYS HE2 5.500 . 5.500 3.850 2.324 5.472 . 0 0 "[ . 1 . 2]" 1
320 1 41 LYS HB2 1 41 LYS HE3 5.500 . 5.500 3.902 1.993 5.463 . 0 0 "[ . 1 . 2]" 1
321 1 41 LYS HB3 1 41 LYS HE2 5.500 . 5.500 3.492 1.955 4.636 . 0 0 "[ . 1 . 2]" 1
322 1 41 LYS HB3 1 41 LYS HE3 5.500 . 5.500 3.545 2.025 4.655 . 0 0 "[ . 1 . 2]" 1
323 1 42 ASN HA 1 43 PRO HD2 3.610 . 3.610 2.586 2.226 2.929 . 0 0 "[ . 1 . 2]" 1
324 1 42 ASN HA 1 43 PRO HD3 3.610 . 3.610 2.164 1.742 2.618 . 0 0 "[ . 1 . 2]" 1
325 1 42 ASN QB 1 45 ALA H 4.890 . 4.890 2.940 2.348 3.629 . 0 0 "[ . 1 . 2]" 1
326 1 42 ASN QB 1 45 ALA MB 5.660 . 5.660 2.829 1.603 4.255 . 0 0 "[ . 1 . 2]" 1
327 1 42 ASN HB2 1 45 ALA MB 6.520 . 6.520 2.972 1.614 4.957 . 0 0 "[ . 1 . 2]" 1
328 1 42 ASN HB3 1 45 ALA MB 6.520 . 6.520 3.921 2.060 5.184 . 0 0 "[ . 1 . 2]" 1
329 1 43 PRO HA 1 46 ALA MB 4.940 . 4.940 3.267 1.700 4.376 . 0 0 "[ . 1 . 2]" 1
330 1 43 PRO QB 1 44 ALA H 4.140 . 4.140 2.825 2.183 3.517 . 0 0 "[ . 1 . 2]" 1
331 1 43 PRO QB 1 46 ALA MB 6.100 . 6.100 4.364 3.298 5.623 . 0 0 "[ . 1 . 2]" 1
332 1 43 PRO HB2 1 44 ALA H 4.570 . 4.570 2.897 2.199 3.704 . 0 0 "[ . 1 . 2]" 1
333 1 43 PRO HB3 1 44 ALA H 4.570 . 4.570 4.057 3.669 4.381 . 0 0 "[ . 1 . 2]" 1
334 1 43 PRO QD 1 44 ALA H 5.140 . 5.140 2.803 2.230 3.075 . 0 0 "[ . 1 . 2]" 1
335 1 43 PRO HD2 1 44 ALA H 5.500 . 5.500 2.862 2.246 3.170 . 0 0 "[ . 1 . 2]" 1
336 1 43 PRO HD3 1 44 ALA H 5.500 . 5.500 4.041 3.734 4.320 . 0 0 "[ . 1 . 2]" 1
337 1 43 PRO HG2 1 44 ALA H 5.500 . 5.500 3.467 2.264 4.271 . 0 0 "[ . 1 . 2]" 1
338 1 43 PRO HG3 1 44 ALA H 5.500 . 5.500 4.384 3.847 4.653 . 0 0 "[ . 1 . 2]" 1
339 1 44 ALA H 1 45 ALA H 3.360 . 3.360 2.569 2.264 2.793 . 0 0 "[ . 1 . 2]" 1
340 1 45 ALA H 1 45 ALA MB 3.540 . 3.540 2.275 2.223 2.354 . 0 0 "[ . 1 . 2]" 1
341 1 45 ALA H 1 46 ALA H 3.420 . 3.420 2.517 2.146 2.883 . 0 0 "[ . 1 . 2]" 1
342 1 46 ALA H 1 47 THR H 4.230 . 4.230 2.573 2.352 2.993 . 0 0 "[ . 1 . 2]" 1
343 1 47 THR H 1 47 THR MG 4.720 . 4.720 3.552 2.436 3.826 . 0 0 "[ . 1 . 2]" 1
344 1 47 THR H 1 48 MET H 3.890 . 3.890 2.502 2.232 2.746 . 0 0 "[ . 1 . 2]" 1
345 1 47 THR H 1 48 MET ME 6.240 . 6.240 5.298 4.650 6.270 0.030 13 0 "[ . 1 . 2]" 1
346 1 47 THR HB 1 48 MET H 4.010 . 4.010 2.832 2.033 3.837 . 0 0 "[ . 1 . 2]" 1
347 1 47 THR MG 1 48 MET H 6.300 . 6.300 3.755 3.122 4.311 . 0 0 "[ . 1 . 2]" 1
348 1 48 MET H 1 48 MET HB2 4.140 . 4.140 2.867 2.392 3.719 . 0 0 "[ . 1 . 2]" 1
349 1 48 MET H 1 48 MET QB 3.900 . 3.900 2.635 2.248 3.372 . 0 0 "[ . 1 . 2]" 1
350 1 48 MET H 1 48 MET HB3 4.140 . 4.140 3.357 2.476 4.118 . 0 0 "[ . 1 . 2]" 1
351 1 48 MET H 1 48 MET ME 5.280 . 5.280 3.928 3.290 4.639 . 0 0 "[ . 1 . 2]" 1
352 1 48 MET H 1 48 MET HG2 5.500 . 5.500 4.085 1.984 5.333 . 0 0 "[ . 1 . 2]" 1
353 1 48 MET H 1 48 MET HG3 5.500 . 5.500 3.722 2.366 4.892 . 0 0 "[ . 1 . 2]" 1
354 1 48 MET H 1 49 ARG H 3.550 . 3.550 3.280 2.089 3.972 0.422 20 0 "[ . 1 . 2]" 1
355 1 51 VAL H 1 51 VAL HB 3.480 . 3.480 2.627 2.578 2.707 . 0 0 "[ . 1 . 2]" 1
356 1 51 VAL H 1 51 VAL MG2 4.010 . 4.010 1.930 1.779 2.043 . 0 0 "[ . 1 . 2]" 1
357 1 51 VAL H 1 52 ALA H 3.580 . 3.580 2.643 2.413 2.847 . 0 0 "[ . 1 . 2]" 1
358 1 51 VAL HB 1 52 ALA H 3.730 . 3.730 2.806 2.395 3.047 . 0 0 "[ . 1 . 2]" 1
359 1 51 VAL MG1 1 52 ALA H 6.520 . 6.520 3.705 3.414 3.864 . 0 0 "[ . 1 . 2]" 1
360 1 51 VAL MG1 1 55 ILE H 6.300 . 6.300 3.885 3.229 5.387 . 0 0 "[ . 1 . 2]" 1
361 1 51 VAL MG1 1 55 ILE MD 6.080 . 6.080 2.857 2.169 4.808 . 0 0 "[ . 1 . 2]" 1
362 1 51 VAL MG1 1 55 ILE MG 7.380 . 7.380 3.889 2.055 6.198 . 0 0 "[ . 1 . 2]" 1
363 1 51 VAL MG2 1 52 ALA H 6.520 . 6.520 3.787 3.643 3.949 . 0 0 "[ . 1 . 2]" 1
364 1 52 ALA H 1 53 GLY H 3.700 . 3.700 2.729 2.596 2.838 . 0 0 "[ . 1 . 2]" 1
365 1 52 ALA HA 1 55 ILE HB 4.820 . 4.820 3.284 1.653 4.877 0.057 19 0 "[ . 1 . 2]" 1
366 1 52 ALA HA 1 55 ILE MD 4.630 . 4.630 2.958 1.783 4.655 0.025 20 0 "[ . 1 . 2]" 1
367 1 52 ALA MB 1 53 GLY QA 6.840 . 6.840 3.680 3.580 3.754 . 0 0 "[ . 1 . 2]" 1
368 1 52 ALA MB 1 54 GLU H 6.520 . 6.520 4.794 4.443 5.080 . 0 0 "[ . 1 . 2]" 1
369 1 52 ALA MB 1 55 ILE H 5.650 . 5.650 4.572 4.163 4.898 . 0 0 "[ . 1 . 2]" 1
370 1 52 ALA MB 1 55 ILE QG 5.230 . 5.230 3.659 3.154 4.443 . 0 0 "[ . 1 . 2]" 1
371 1 52 ALA MB 1 56 ALA H 5.930 . 5.930 4.441 3.789 5.592 . 0 0 "[ . 1 . 2]" 1
372 1 53 GLY H 1 54 GLU H 3.700 . 3.700 2.693 2.464 2.942 . 0 0 "[ . 1 . 2]" 1
373 1 53 GLY H 1 56 ALA MB 6.520 . 6.520 4.833 4.368 5.708 . 0 0 "[ . 1 . 2]" 1
374 1 53 GLY QA 1 56 ALA MB 7.210 . 7.210 2.885 2.286 3.541 . 0 0 "[ . 1 . 2]" 1
375 1 54 GLU H 1 55 ILE H 4.320 . 4.320 2.584 2.446 2.757 . 0 0 "[ . 1 . 2]" 1
376 1 54 GLU HA 1 57 ALA MB 5.120 . 5.120 3.093 2.382 4.204 . 0 0 "[ . 1 . 2]" 1
377 1 54 GLU HB2 1 55 ILE H 5.500 . 5.500 2.893 2.437 3.888 . 0 0 "[ . 1 . 2]" 1
378 1 54 GLU HB3 1 55 ILE H 5.500 . 5.500 3.673 3.322 4.110 . 0 0 "[ . 1 . 2]" 1
379 1 55 ILE H 1 55 ILE HB 3.520 . 3.520 2.956 2.389 3.625 0.105 5 0 "[ . 1 . 2]" 1
380 1 55 ILE H 1 55 ILE MD 5.370 . 5.370 3.311 1.536 3.668 . 0 0 "[ . 1 . 2]" 1
381 1 55 ILE H 1 55 ILE HG12 5.500 . 5.500 2.276 1.870 3.389 . 0 0 "[ . 1 . 2]" 1
382 1 55 ILE H 1 55 ILE HG13 5.500 . 5.500 3.185 2.075 3.753 . 0 0 "[ . 1 . 2]" 1
383 1 55 ILE H 1 56 ALA H 3.760 . 3.760 2.621 2.498 2.781 . 0 0 "[ . 1 . 2]" 1
384 1 55 ILE HB 1 56 ALA H 3.700 . 3.700 3.156 2.480 3.829 0.129 18 0 "[ . 1 . 2]" 1
385 1 55 ILE MG 1 56 ALA H 5.310 . 5.310 3.738 3.294 4.291 . 0 0 "[ . 1 . 2]" 1
386 1 56 ALA H 1 57 ALA H 3.790 . 3.790 2.686 2.509 2.919 . 0 0 "[ . 1 . 2]" 1
387 1 56 ALA HA 1 59 LEU H 3.890 . 3.890 3.356 3.050 3.641 . 0 0 "[ . 1 . 2]" 1
388 1 56 ALA HA 1 59 LEU HB2 3.920 . 3.920 2.990 2.316 3.510 . 0 0 "[ . 1 . 2]" 1
389 1 56 ALA HA 1 59 LEU HB3 3.920 . 3.920 3.075 2.354 3.715 . 0 0 "[ . 1 . 2]" 1
390 1 56 ALA HA 1 59 LEU QD 7.140 . 7.140 3.317 2.768 3.986 . 0 0 "[ . 1 . 2]" 1
391 1 56 ALA MB 1 57 ALA HA 6.330 . 6.330 3.884 3.786 3.981 . 0 0 "[ . 1 . 2]" 1
392 1 57 ALA H 1 58 ALA H 3.640 . 3.640 2.559 2.412 2.700 . 0 0 "[ . 1 . 2]" 1
393 1 57 ALA H 1 59 LEU H 4.570 . 4.570 3.954 3.770 4.152 . 0 0 "[ . 1 . 2]" 1
394 1 58 ALA H 1 59 LEU H 3.240 . 3.240 2.512 2.389 2.616 . 0 0 "[ . 1 . 2]" 1
395 1 58 ALA HA 1 61 ALA H 4.760 . 4.760 3.235 2.930 3.551 . 0 0 "[ . 1 . 2]" 1
396 1 58 ALA HA 1 61 ALA MB 4.500 . 4.500 2.606 2.076 3.334 . 0 0 "[ . 1 . 2]" 1
397 1 58 ALA MB 1 62 VAL MG1 6.330 . 6.330 5.629 5.020 6.286 . 0 0 "[ . 1 . 2]" 1
398 1 58 ALA MB 1 62 VAL MG2 5.620 . 5.620 3.410 2.819 4.113 . 0 0 "[ . 1 . 2]" 1
399 1 59 LEU H 1 59 LEU HB2 3.520 . 3.520 2.438 2.265 2.622 . 0 0 "[ . 1 . 2]" 1
400 1 59 LEU H 1 59 LEU QB 3.330 . 3.330 2.216 2.160 2.239 . 0 0 "[ . 1 . 2]" 1
401 1 59 LEU H 1 59 LEU HB3 3.520 . 3.520 2.561 2.386 2.725 . 0 0 "[ . 1 . 2]" 1
402 1 59 LEU H 1 59 LEU HG 4.720 . 4.720 4.470 4.323 4.527 . 0 0 "[ . 1 . 2]" 1
403 1 59 LEU H 1 60 TYR H 3.520 . 3.520 2.707 2.549 2.980 . 0 0 "[ . 1 . 2]" 1
404 1 59 LEU HA 1 62 VAL HB 3.760 . 3.760 2.925 2.156 3.454 . 0 0 "[ . 1 . 2]" 1
405 1 59 LEU HA 1 62 VAL MG2 5.990 . 5.990 2.741 2.289 3.852 . 0 0 "[ . 1 . 2]" 1
406 1 59 LEU HB2 1 60 TYR H 3.830 . 3.830 3.833 3.545 3.909 0.079 17 0 "[ . 1 . 2]" 1
407 1 59 LEU HB3 1 60 TYR H 3.830 . 3.830 2.599 2.194 2.798 . 0 0 "[ . 1 . 2]" 1
408 1 59 LEU MD1 1 60 TYR H 6.520 . 6.520 4.574 4.208 4.884 . 0 0 "[ . 1 . 2]" 1
409 1 59 LEU MD1 1 60 TYR QD 8.650 . 8.650 5.615 4.307 6.819 . 0 0 "[ . 1 . 2]" 1
410 1 59 LEU MD2 1 60 TYR H 6.520 . 6.520 3.969 2.913 4.598 . 0 0 "[ . 1 . 2]" 1
411 1 59 LEU MD2 1 60 TYR QD 8.650 . 8.650 4.284 2.352 5.860 . 0 0 "[ . 1 . 2]" 1
412 1 59 LEU HG 1 60 TYR H 4.720 . 4.720 4.156 3.276 4.746 0.026 7 0 "[ . 1 . 2]" 1
413 1 60 TYR H 1 61 ALA H 3.550 . 3.550 2.584 2.457 2.783 . 0 0 "[ . 1 . 2]" 1
414 1 60 TYR HA 1 63 LYS H 4.850 . 4.850 3.188 2.819 3.477 . 0 0 "[ . 1 . 2]" 1
415 1 60 TYR HA 1 63 LYS HB2 3.920 . 3.920 2.853 1.844 4.220 0.300 4 0 "[ . 1 . 2]" 1
416 1 60 TYR HA 1 63 LYS HB3 3.920 . 3.920 3.078 2.233 4.047 0.127 16 0 "[ . 1 . 2]" 1
417 1 60 TYR HA 1 63 LYS HD2 5.500 . 5.500 3.782 2.271 5.136 . 0 0 "[ . 1 . 2]" 1
418 1 60 TYR HA 1 63 LYS HD3 5.500 . 5.500 4.438 1.988 5.546 0.046 19 0 "[ . 1 . 2]" 1
419 1 60 TYR QD 1 63 LYS HD2 7.630 . 7.630 3.982 2.381 5.318 . 0 0 "[ . 1 . 2]" 1
420 1 60 TYR QD 1 63 LYS HD3 7.630 . 7.630 4.586 2.479 6.354 . 0 0 "[ . 1 . 2]" 1
421 1 61 ALA H 1 62 VAL H 3.790 . 3.790 2.595 2.483 2.757 . 0 0 "[ . 1 . 2]" 1
422 1 61 ALA HA 1 64 LYS H 4.790 . 4.790 3.358 3.077 3.890 . 0 0 "[ . 1 . 2]" 1
423 1 61 ALA HA 1 65 ALA H 5.040 . 5.040 4.163 3.840 4.555 . 0 0 "[ . 1 . 2]" 1
424 1 61 ALA MB 1 62 VAL HA 4.530 . 4.530 3.912 3.826 3.974 . 0 0 "[ . 1 . 2]" 1
425 1 61 ALA MB 1 62 VAL HB 6.520 . 6.520 4.697 4.411 4.890 . 0 0 "[ . 1 . 2]" 1
426 1 61 ALA MB 1 62 VAL MG1 6.830 . 6.830 5.007 4.866 5.095 . 0 0 "[ . 1 . 2]" 1
427 1 61 ALA MB 1 62 VAL MG2 5.710 . 5.710 3.153 2.903 3.308 . 0 0 "[ . 1 . 2]" 1
428 1 61 ALA MB 1 65 ALA H 6.520 . 6.520 4.602 4.347 4.987 . 0 0 "[ . 1 . 2]" 1
429 1 62 VAL H 1 62 VAL HB 3.050 . 3.050 2.538 2.475 2.674 . 0 0 "[ . 1 . 2]" 1
430 1 62 VAL H 1 62 VAL MG2 4.160 . 4.160 2.077 1.925 2.179 . 0 0 "[ . 1 . 2]" 1
431 1 62 VAL H 1 63 LYS H 4.040 . 4.040 2.609 2.484 2.770 . 0 0 "[ . 1 . 2]" 1
432 1 62 VAL HA 1 65 ALA H 4.540 . 4.540 3.282 2.958 3.721 . 0 0 "[ . 1 . 2]" 1
433 1 62 VAL HA 1 65 ALA MB 4.380 . 4.380 2.465 1.990 2.940 . 0 0 "[ . 1 . 2]" 1
434 1 62 VAL HA 1 109 ILE MG 6.210 . 6.210 3.126 1.915 5.401 . 0 0 "[ . 1 . 2]" 1
435 1 62 VAL HB 1 63 LYS H 3.860 . 3.860 2.613 2.422 2.759 . 0 0 "[ . 1 . 2]" 1
436 1 62 VAL HB 1 109 ILE MD 6.520 . 6.520 5.447 3.999 6.546 0.026 17 0 "[ . 1 . 2]" 1
437 1 62 VAL HB 1 109 ILE MG 6.520 . 6.520 4.660 4.062 6.521 0.001 11 0 "[ . 1 . 2]" 1
438 1 62 VAL MG1 1 65 ALA MB 7.320 . 7.320 3.300 2.894 3.939 . 0 0 "[ . 1 . 2]" 1
439 1 62 VAL MG1 1 110 TYR HB2 6.520 . 6.520 4.099 1.787 6.019 . 0 0 "[ . 1 . 2]" 1
440 1 62 VAL MG1 1 110 TYR HB3 6.520 . 6.520 3.355 2.096 4.648 . 0 0 "[ . 1 . 2]" 1
441 1 62 VAL MG2 1 63 LYS H 6.180 . 6.180 3.794 3.613 3.891 . 0 0 "[ . 1 . 2]" 1
442 1 62 VAL MG2 1 65 ALA MB 7.540 . 7.540 3.944 3.497 4.582 . 0 0 "[ . 1 . 2]" 1
443 1 62 VAL MG2 1 110 TYR HB2 5.810 . 5.810 4.384 2.884 5.793 . 0 0 "[ . 1 . 2]" 1
444 1 62 VAL MG2 1 110 TYR QB 5.680 . 5.680 3.455 2.093 4.486 . 0 0 "[ . 1 . 2]" 1
445 1 62 VAL MG2 1 110 TYR HB3 5.810 . 5.810 3.834 2.127 5.663 . 0 0 "[ . 1 . 2]" 1
446 1 62 VAL MG2 1 110 TYR QD 8.490 . 8.490 3.627 1.940 5.145 . 0 0 "[ . 1 . 2]" 1
447 1 63 LYS H 1 63 LYS HB2 4.110 . 4.110 2.427 2.041 3.603 . 0 0 "[ . 1 . 2]" 1
448 1 63 LYS H 1 63 LYS QB 3.850 . 3.850 2.239 2.017 2.505 . 0 0 "[ . 1 . 2]" 1
449 1 63 LYS H 1 63 LYS HB3 4.110 . 4.110 2.878 2.377 3.577 . 0 0 "[ . 1 . 2]" 1
450 1 63 LYS H 1 63 LYS HD2 5.500 . 5.500 4.681 4.085 5.137 . 0 0 "[ . 1 . 2]" 1
451 1 63 LYS H 1 63 LYS HD3 5.500 . 5.500 4.855 4.424 5.105 . 0 0 "[ . 1 . 2]" 1
452 1 63 LYS H 1 63 LYS HG2 5.500 . 5.500 4.068 2.209 4.516 . 0 0 "[ . 1 . 2]" 1
453 1 63 LYS H 1 63 LYS QG 4.980 . 4.980 3.474 2.181 4.023 . 0 0 "[ . 1 . 2]" 1
454 1 63 LYS H 1 63 LYS HG3 5.500 . 5.500 3.917 2.266 4.609 . 0 0 "[ . 1 . 2]" 1
455 1 63 LYS H 1 64 LYS H 3.760 . 3.760 2.671 2.497 2.822 . 0 0 "[ . 1 . 2]" 1
456 1 63 LYS HA 1 63 LYS HD2 5.500 . 5.500 4.384 3.488 4.665 . 0 0 "[ . 1 . 2]" 1
457 1 63 LYS HA 1 63 LYS HD3 5.500 . 5.500 4.044 2.366 5.507 0.007 4 0 "[ . 1 . 2]" 1
458 1 63 LYS HA 1 66 SER H 4.420 . 4.420 3.709 3.202 4.089 . 0 0 "[ . 1 . 2]" 1
459 1 63 LYS HA 1 66 SER QB 4.400 . 4.400 3.460 2.377 4.415 0.015 14 0 "[ . 1 . 2]" 1
460 1 63 LYS QB 1 64 LYS H 3.980 . 3.980 2.632 2.408 3.591 . 0 0 "[ . 1 . 2]" 1
461 1 63 LYS HB2 1 63 LYS HE2 5.500 . 5.500 4.667 3.893 5.495 . 0 0 "[ . 1 . 2]" 1
462 1 63 LYS HB2 1 63 LYS HE3 5.500 . 5.500 4.569 3.291 5.479 . 0 0 "[ . 1 . 2]" 1
463 1 63 LYS HB2 1 64 LYS H 4.200 . 4.200 3.495 2.520 4.015 . 0 0 "[ . 1 . 2]" 1
464 1 63 LYS HB3 1 63 LYS HE2 5.500 . 5.500 4.485 4.162 4.775 . 0 0 "[ . 1 . 2]" 1
465 1 63 LYS HB3 1 63 LYS HE3 5.500 . 5.500 4.534 4.207 4.814 . 0 0 "[ . 1 . 2]" 1
466 1 63 LYS HB3 1 64 LYS H 4.200 . 4.200 2.906 2.437 4.076 . 0 0 "[ . 1 . 2]" 1
467 1 63 LYS HD2 1 64 LYS H 5.500 . 5.500 4.923 3.870 5.564 0.064 17 0 "[ . 1 . 2]" 1
468 1 63 LYS HD3 1 64 LYS H 5.500 . 5.500 4.633 3.030 5.563 0.063 16 0 "[ . 1 . 2]" 1
469 1 63 LYS HG2 1 64 LYS H 5.500 . 5.500 4.483 2.832 5.063 . 0 0 "[ . 1 . 2]" 1
470 1 63 LYS HG3 1 64 LYS H 5.500 . 5.500 4.745 2.710 5.160 . 0 0 "[ . 1 . 2]" 1
471 1 64 LYS H 1 65 ALA H 3.420 . 3.420 2.567 2.434 2.734 . 0 0 "[ . 1 . 2]" 1
472 1 64 LYS HA 1 67 GLN QB 5.050 . 5.050 3.264 2.644 4.260 . 0 0 "[ . 1 . 2]" 1
473 1 64 LYS HA 1 68 LEU MD1 6.460 . 6.460 4.667 3.499 6.481 0.021 17 0 "[ . 1 . 2]" 1
474 1 64 LYS QB 1 68 LEU MD1 7.400 . 7.400 3.946 2.393 5.790 . 0 0 "[ . 1 . 2]" 1
475 1 64 LYS HB2 1 65 ALA H 4.970 . 4.970 3.304 2.664 4.101 . 0 0 "[ . 1 . 2]" 1
476 1 64 LYS HB3 1 65 ALA H 4.970 . 4.970 3.287 2.450 4.150 . 0 0 "[ . 1 . 2]" 1
477 1 65 ALA H 1 66 SER H 3.520 . 3.520 2.702 2.441 2.842 . 0 0 "[ . 1 . 2]" 1
478 1 65 ALA H 1 68 LEU MD1 6.520 . 6.520 5.144 4.172 6.562 0.042 8 0 "[ . 1 . 2]" 1
479 1 65 ALA H 1 109 ILE MD 6.460 . 6.460 5.405 3.946 6.476 0.016 16 0 "[ . 1 . 2]" 1
480 1 65 ALA H 1 109 ILE MG 6.520 . 6.520 4.181 3.618 4.799 . 0 0 "[ . 1 . 2]" 1
481 1 65 ALA HA 1 68 LEU H 4.380 . 4.380 3.225 2.893 3.513 . 0 0 "[ . 1 . 2]" 1
482 1 65 ALA HA 1 68 LEU HB2 4.540 . 4.540 2.760 2.228 3.374 . 0 0 "[ . 1 . 2]" 1
483 1 65 ALA HA 1 68 LEU QB 4.330 . 4.330 2.477 1.975 2.882 . 0 0 "[ . 1 . 2]" 1
484 1 65 ALA HA 1 68 LEU HB3 4.540 . 4.540 3.639 2.012 4.565 0.025 18 0 "[ . 1 . 2]" 1
485 1 65 ALA HA 1 68 LEU MD2 5.250 . 5.250 3.290 2.786 3.671 . 0 0 "[ . 1 . 2]" 1
486 1 65 ALA HA 1 68 LEU HG 5.500 . 5.500 4.990 3.855 5.522 0.022 9 0 "[ . 1 . 2]" 1
487 1 65 ALA HA 1 70 VAL H 4.140 . 4.140 3.754 3.228 4.147 0.007 6 0 "[ . 1 . 2]" 1
488 1 65 ALA HA 1 70 VAL MG1 6.520 . 6.520 4.679 4.273 4.994 . 0 0 "[ . 1 . 2]" 1
489 1 65 ALA HA 1 70 VAL QG 5.300 . 5.300 2.523 2.105 2.845 . 0 0 "[ . 1 . 2]" 1
490 1 65 ALA HA 1 70 VAL MG2 6.520 . 6.520 2.535 2.109 2.888 . 0 0 "[ . 1 . 2]" 1
491 1 65 ALA HA 1 109 ILE MG 5.560 . 5.560 4.424 3.988 5.186 . 0 0 "[ . 1 . 2]" 1
492 1 65 ALA MB 1 70 VAL H 5.280 . 5.280 3.475 3.199 3.716 . 0 0 "[ . 1 . 2]" 1
493 1 65 ALA MB 1 70 VAL QG 7.850 . 7.850 1.952 1.770 2.219 . 0 0 "[ . 1 . 2]" 1
494 1 65 ALA MB 1 72 ILE H 5.960 . 5.960 4.924 4.376 6.009 0.049 8 0 "[ . 1 . 2]" 1
495 1 65 ALA MB 1 72 ILE MG 6.890 . 6.890 3.730 2.672 5.959 . 0 0 "[ . 1 . 2]" 1
496 1 65 ALA MB 1 109 ILE MD 7.540 . 7.540 3.858 2.538 4.846 . 0 0 "[ . 1 . 2]" 1
497 1 65 ALA MB 1 109 ILE MG 7.350 . 7.350 2.096 1.793 2.959 . 0 0 "[ . 1 . 2]" 1
498 1 66 SER H 1 67 GLN H 3.520 . 3.520 2.685 2.549 2.884 . 0 0 "[ . 1 . 2]" 1
499 1 66 SER H 1 109 ILE MD 4.850 . 4.850 3.661 2.412 4.757 . 0 0 "[ . 1 . 2]" 1
500 1 66 SER H 1 109 ILE MG 6.210 . 6.210 3.470 2.652 4.501 . 0 0 "[ . 1 . 2]" 1
501 1 66 SER HA 1 109 ILE MD 4.100 . 4.100 2.941 1.676 3.836 . 0 0 "[ . 1 . 2]" 1
502 1 66 SER HA 1 109 ILE MG 5.000 . 5.000 3.606 1.891 4.755 . 0 0 "[ . 1 . 2]" 1
503 1 66 SER QB 1 106 TYR QD 8.510 . 8.510 6.162 3.841 8.521 0.011 1 0 "[ . 1 . 2]" 1
504 1 66 SER QB 1 109 ILE MD 4.330 . 4.330 2.257 1.437 3.284 . 0 0 "[ . 1 . 2]" 1
505 1 66 SER HB2 1 67 GLN H 5.470 . 5.470 3.716 2.676 3.989 . 0 0 "[ . 1 . 2]" 1
506 1 66 SER HB2 1 109 ILE MD 4.690 . 4.690 2.659 1.440 4.201 . 0 0 "[ . 1 . 2]" 1
507 1 66 SER HB2 1 109 ILE MG 6.520 . 6.520 4.161 2.619 6.368 . 0 0 "[ . 1 . 2]" 1
508 1 66 SER HB3 1 67 GLN H 5.470 . 5.470 3.136 2.387 4.223 . 0 0 "[ . 1 . 2]" 1
509 1 66 SER HB3 1 109 ILE MD 4.690 . 4.690 3.168 1.500 4.394 . 0 0 "[ . 1 . 2]" 1
510 1 66 SER HB3 1 109 ILE MG 6.520 . 6.520 4.659 2.596 6.047 . 0 0 "[ . 1 . 2]" 1
511 1 67 GLN H 1 67 GLN HB2 3.390 . 3.390 2.431 2.159 3.547 0.157 3 0 "[ . 1 . 2]" 1
512 1 67 GLN H 1 67 GLN QB 3.210 . 3.210 2.323 2.138 2.619 . 0 0 "[ . 1 . 2]" 1
513 1 67 GLN H 1 67 GLN HB3 3.390 . 3.390 3.260 2.697 3.561 0.171 12 0 "[ . 1 . 2]" 1
514 1 67 GLN H 1 67 GLN HG2 4.690 . 4.690 3.669 1.832 4.555 . 0 0 "[ . 1 . 2]" 1
515 1 67 GLN H 1 67 GLN QG 4.230 . 4.230 2.872 1.818 3.977 . 0 0 "[ . 1 . 2]" 1
516 1 67 GLN H 1 67 GLN HG3 4.690 . 4.690 3.244 2.099 4.385 . 0 0 "[ . 1 . 2]" 1
517 1 67 GLN H 1 68 LEU H 3.330 . 3.330 2.475 2.317 2.647 . 0 0 "[ . 1 . 2]" 1
518 1 67 GLN HA 1 67 GLN HG2 4.230 . 4.230 2.866 2.437 3.671 . 0 0 "[ . 1 . 2]" 1
519 1 67 GLN HA 1 67 GLN HG3 4.230 . 4.230 2.912 2.338 3.840 . 0 0 "[ . 1 . 2]" 1
520 1 67 GLN QB 1 68 LEU H 3.700 . 3.700 2.741 2.388 3.418 . 0 0 "[ . 1 . 2]" 1
521 1 67 GLN QB 1 68 LEU MD1 6.410 . 6.410 3.226 2.105 4.915 . 0 0 "[ . 1 . 2]" 1
522 1 67 GLN HB2 1 68 LEU H 4.010 . 4.010 3.115 2.436 3.831 . 0 0 "[ . 1 . 2]" 1
523 1 67 GLN HB3 1 68 LEU H 4.010 . 4.010 3.451 2.548 4.079 0.069 3 0 "[ . 1 . 2]" 1
524 1 67 GLN QG 1 68 LEU H 5.120 . 5.120 4.060 2.263 4.641 . 0 0 "[ . 1 . 2]" 1
525 1 67 GLN HG2 1 68 LEU H 5.500 . 5.500 4.670 2.825 5.231 . 0 0 "[ . 1 . 2]" 1
526 1 67 GLN HG3 1 68 LEU H 5.500 . 5.500 4.598 2.382 5.188 . 0 0 "[ . 1 . 2]" 1
527 1 68 LEU H 1 68 LEU HB2 3.670 . 3.670 2.345 2.197 2.544 . 0 0 "[ . 1 . 2]" 1
528 1 68 LEU H 1 68 LEU QB 3.490 . 3.490 2.249 2.175 2.338 . 0 0 "[ . 1 . 2]" 1
529 1 68 LEU H 1 68 LEU HB3 3.670 . 3.670 3.245 2.480 3.605 . 0 0 "[ . 1 . 2]" 1
530 1 68 LEU H 1 68 LEU MD1 4.940 . 4.940 2.896 2.142 4.113 . 0 0 "[ . 1 . 2]" 1
531 1 68 LEU H 1 68 LEU MD2 5.000 . 5.000 3.971 2.274 4.265 . 0 0 "[ . 1 . 2]" 1
532 1 68 LEU H 1 68 LEU HG 5.500 . 5.500 4.113 3.780 4.520 . 0 0 "[ . 1 . 2]" 1
533 1 68 LEU H 1 69 GLY H 2.990 . 2.990 2.428 2.249 2.574 . 0 0 "[ . 1 . 2]" 1
534 1 68 LEU H 1 70 VAL QG 8.070 . 8.070 3.866 3.615 4.145 . 0 0 "[ . 1 . 2]" 1
535 1 68 LEU H 1 109 ILE MG 6.520 . 6.520 5.962 5.032 6.540 0.020 5 0 "[ . 1 . 2]" 1
536 1 68 LEU HA 1 68 LEU MD1 3.700 . 3.700 2.421 1.897 2.901 . 0 0 "[ . 1 . 2]" 1
537 1 68 LEU QB 1 69 GLY H 4.390 . 4.390 2.929 2.845 3.143 . 0 0 "[ . 1 . 2]" 1
538 1 68 LEU QB 1 70 VAL H 4.990 . 4.990 3.046 2.688 3.395 . 0 0 "[ . 1 . 2]" 1
539 1 68 LEU QB 1 70 VAL QG 6.160 . 6.160 2.129 1.922 2.339 . 0 0 "[ . 1 . 2]" 1
540 1 68 LEU HB2 1 69 GLY H 4.690 . 4.690 3.364 3.002 4.086 . 0 0 "[ . 1 . 2]" 1
541 1 68 LEU HB2 1 70 VAL MG1 7.790 . 7.790 3.917 2.845 5.120 . 0 0 "[ . 1 . 2]" 1
542 1 68 LEU HB2 1 70 VAL MG2 7.790 . 7.790 2.779 2.208 3.793 . 0 0 "[ . 1 . 2]" 1
543 1 68 LEU HB3 1 69 GLY H 4.690 . 4.690 3.499 2.909 3.944 . 0 0 "[ . 1 . 2]" 1
544 1 68 LEU HB3 1 70 VAL MG1 7.790 . 7.790 3.021 2.253 3.935 . 0 0 "[ . 1 . 2]" 1
545 1 68 LEU HB3 1 70 VAL MG2 7.790 . 7.790 2.636 1.951 3.562 . 0 0 "[ . 1 . 2]" 1
546 1 68 LEU MD2 1 70 VAL QG 7.970 . 7.970 2.627 1.858 3.999 . 0 0 "[ . 1 . 2]" 1
547 1 68 LEU HG 1 69 GLY H 5.500 . 5.500 4.939 4.088 5.386 . 0 0 "[ . 1 . 2]" 1
548 1 69 GLY H 1 70 VAL H 3.140 . 3.140 2.327 2.188 2.625 . 0 0 "[ . 1 . 2]" 1
549 1 69 GLY H 1 70 VAL QG 7.420 . 7.420 3.365 3.288 3.433 . 0 0 "[ . 1 . 2]" 1
550 1 69 GLY H 1 109 ILE MG 6.520 . 6.520 5.424 4.097 6.035 . 0 0 "[ . 1 . 2]" 1
551 1 69 GLY QA 1 70 VAL QG 7.590 . 7.590 3.499 3.391 3.681 . 0 0 "[ . 1 . 2]" 1
552 1 70 VAL H 1 70 VAL MG1 4.100 . 4.100 2.867 2.558 3.071 . 0 0 "[ . 1 . 2]" 1
553 1 70 VAL H 1 70 VAL QG 3.600 . 3.600 2.032 1.860 2.192 . 0 0 "[ . 1 . 2]" 1
554 1 70 VAL H 1 70 VAL MG2 4.100 . 4.100 2.079 1.908 2.247 . 0 0 "[ . 1 . 2]" 1
555 1 70 VAL HA 1 71 LYS H 3.140 . 3.140 2.398 2.162 2.673 . 0 0 "[ . 1 . 2]" 1
556 1 70 VAL HB 1 71 LYS H 3.110 . 3.110 2.442 1.938 3.102 . 0 0 "[ . 1 . 2]" 1
557 1 70 VAL QG 1 71 LYS H 4.660 . 4.660 3.152 2.856 3.462 . 0 0 "[ . 1 . 2]" 1
558 1 70 VAL QG 1 72 ILE MG 7.790 . 7.790 4.096 2.964 4.983 . 0 0 "[ . 1 . 2]" 1
559 1 70 VAL MG1 1 71 LYS H 5.150 . 5.150 3.622 3.489 3.808 . 0 0 "[ . 1 . 2]" 1
560 1 70 VAL MG2 1 71 LYS H 5.150 . 5.150 3.484 3.032 3.975 . 0 0 "[ . 1 . 2]" 1
561 1 71 LYS H 1 71 LYS HD2 5.500 . 5.500 4.200 1.974 5.800 0.300 17 0 "[ . 1 . 2]" 1
562 1 71 LYS H 1 71 LYS HD3 5.500 . 5.500 4.600 3.098 5.602 0.102 6 0 "[ . 1 . 2]" 1
563 1 71 LYS H 1 71 LYS HE2 5.500 . 5.500 5.013 3.884 5.586 0.086 16 0 "[ . 1 . 2]" 1
564 1 71 LYS H 1 71 LYS HE3 5.500 . 5.500 4.678 3.236 5.542 0.042 20 0 "[ . 1 . 2]" 1
565 1 71 LYS H 1 71 LYS HG2 5.500 . 5.500 3.281 2.322 4.509 . 0 0 "[ . 1 . 2]" 1
566 1 71 LYS H 1 71 LYS HG3 5.500 . 5.500 3.526 2.597 4.852 . 0 0 "[ . 1 . 2]" 1
567 1 71 LYS H 1 72 ILE H 4.480 . 4.480 4.414 4.338 4.493 0.013 20 0 "[ . 1 . 2]" 1
568 1 71 LYS HA 1 71 LYS HD2 5.500 . 5.500 4.500 3.060 5.530 0.030 14 0 "[ . 1 . 2]" 1
569 1 71 LYS HA 1 71 LYS HD3 5.500 . 5.500 4.479 2.100 5.538 0.038 8 0 "[ . 1 . 2]" 1
570 1 71 LYS HA 1 71 LYS HE2 5.500 . 5.500 4.944 4.222 5.893 0.393 1 0 "[ . 1 . 2]" 1
571 1 71 LYS HA 1 71 LYS HE3 5.500 . 5.500 5.028 4.307 5.660 0.160 1 0 "[ . 1 . 2]" 1
572 1 71 LYS HA 1 72 ILE H 3.140 . 3.140 2.459 2.169 2.672 . 0 0 "[ . 1 . 2]" 1
573 1 71 LYS HA 1 109 ILE HA 4.040 . 4.040 3.115 2.252 3.870 . 0 0 "[ . 1 . 2]" 1
574 1 71 LYS HA 1 109 ILE HB 5.500 . 5.500 4.717 2.788 5.506 0.006 9 0 "[ . 1 . 2]" 1
575 1 71 LYS HA 1 109 ILE MG 4.880 . 4.880 2.332 1.429 3.643 . 0 0 "[ . 1 . 2]" 1
576 1 71 LYS HB2 1 71 LYS HE2 5.500 . 5.500 3.804 2.358 4.900 . 0 0 "[ . 1 . 2]" 1
577 1 71 LYS HB2 1 71 LYS HE3 5.500 . 5.500 3.968 1.940 4.806 . 0 0 "[ . 1 . 2]" 1
578 1 71 LYS HB2 1 72 ILE H 5.500 . 5.500 2.916 2.002 4.111 . 0 0 "[ . 1 . 2]" 1
579 1 71 LYS HB3 1 71 LYS HE2 5.500 . 5.500 3.442 1.783 4.808 . 0 0 "[ . 1 . 2]" 1
580 1 71 LYS HB3 1 71 LYS HE3 5.500 . 5.500 3.589 1.871 5.486 . 0 0 "[ . 1 . 2]" 1
581 1 71 LYS HB3 1 72 ILE H 5.500 . 5.500 3.236 2.116 4.288 . 0 0 "[ . 1 . 2]" 1
582 1 71 LYS HD2 1 72 ILE H 5.500 . 5.500 4.985 3.449 5.561 0.061 11 0 "[ . 1 . 2]" 1
583 1 71 LYS HD3 1 72 ILE H 5.500 . 5.500 4.803 3.925 5.512 0.012 3 0 "[ . 1 . 2]" 1
584 1 71 LYS QG 1 72 ILE H 6.380 . 6.380 3.501 2.475 4.624 . 0 0 "[ . 1 . 2]" 1
585 1 71 LYS QG 1 109 ILE MG 7.400 . 7.400 4.059 2.433 5.605 . 0 0 "[ . 1 . 2]" 1
586 1 72 ILE H 1 72 ILE HG12 5.500 . 5.500 3.111 2.267 3.745 . 0 0 "[ . 1 . 2]" 1
587 1 72 ILE H 1 72 ILE HG13 5.500 . 5.500 2.452 1.824 3.331 . 0 0 "[ . 1 . 2]" 1
588 1 72 ILE H 1 73 ARG H 5.500 . 5.500 4.480 4.415 4.546 . 0 0 "[ . 1 . 2]" 1
589 1 72 ILE H 1 109 ILE HA 3.890 . 3.890 3.804 3.279 4.035 0.145 20 0 "[ . 1 . 2]" 1
590 1 72 ILE H 1 109 ILE MG 6.520 . 6.520 3.204 2.037 4.564 . 0 0 "[ . 1 . 2]" 1
591 1 72 ILE H 1 110 TYR HA 4.070 . 4.070 3.484 2.478 4.169 0.099 17 0 "[ . 1 . 2]" 1
592 1 72 ILE HA 1 73 ARG H 3.110 . 3.110 2.400 2.283 2.694 . 0 0 "[ . 1 . 2]" 1
593 1 72 ILE HB 1 73 ARG H 4.040 . 4.040 2.511 2.061 2.854 . 0 0 "[ . 1 . 2]" 1
594 1 72 ILE MD 1 73 ARG H 5.620 . 5.620 3.480 2.789 4.455 . 0 0 "[ . 1 . 2]" 1
595 1 72 ILE MD 1 74 ILE HA 5.190 . 5.190 3.816 2.542 5.268 0.078 7 0 "[ . 1 . 2]" 1
596 1 72 ILE MD 1 74 ILE HB 5.060 . 5.060 3.960 2.044 4.937 . 0 0 "[ . 1 . 2]" 1
597 1 72 ILE MD 1 109 ILE MG 7.540 . 7.540 4.350 3.005 6.061 . 0 0 "[ . 1 . 2]" 1
598 1 72 ILE MD 1 110 TYR HA 6.520 . 6.520 2.907 1.861 4.245 . 0 0 "[ . 1 . 2]" 1
599 1 72 ILE MD 1 110 TYR HB2 5.560 . 5.560 3.281 2.189 4.575 . 0 0 "[ . 1 . 2]" 1
600 1 72 ILE MD 1 110 TYR QB 5.350 . 5.350 2.886 1.943 3.872 . 0 0 "[ . 1 . 2]" 1
601 1 72 ILE MD 1 110 TYR HB3 5.560 . 5.560 3.465 2.083 4.828 . 0 0 "[ . 1 . 2]" 1
602 1 72 ILE QG 1 109 ILE MG 5.920 . 5.920 3.317 2.249 5.055 . 0 0 "[ . 1 . 2]" 1
603 1 72 ILE QG 1 111 SER H 6.380 . 6.380 3.762 2.406 5.078 . 0 0 "[ . 1 . 2]" 1
604 1 72 ILE HG12 1 73 ARG H 5.500 . 5.500 4.779 4.164 5.221 . 0 0 "[ . 1 . 2]" 1
605 1 72 ILE HG12 1 109 ILE MG 6.120 . 6.120 3.836 2.264 6.139 0.019 11 0 "[ . 1 . 2]" 1
606 1 72 ILE HG12 1 110 TYR HA 5.500 . 5.500 3.150 1.578 5.159 . 0 0 "[ . 1 . 2]" 1
607 1 72 ILE HG13 1 73 ARG H 5.500 . 5.500 4.072 2.887 4.658 . 0 0 "[ . 1 . 2]" 1
608 1 72 ILE HG13 1 109 ILE MG 6.120 . 6.120 4.026 2.686 5.410 . 0 0 "[ . 1 . 2]" 1
609 1 72 ILE HG13 1 110 TYR HA 5.500 . 5.500 2.819 1.842 3.814 . 0 0 "[ . 1 . 2]" 1
610 1 72 ILE MG 1 73 ARG H 5.250 . 5.250 3.747 3.155 3.984 . 0 0 "[ . 1 . 2]" 1
611 1 72 ILE MG 1 109 ILE MG 7.350 . 7.350 3.311 1.936 5.144 . 0 0 "[ . 1 . 2]" 1
612 1 73 ARG HA 1 74 ILE H 3.390 . 3.390 2.160 2.054 2.232 . 0 0 "[ . 1 . 2]" 1
613 1 73 ARG QG 1 74 ILE H 6.380 . 6.380 3.843 2.430 4.542 . 0 0 "[ . 1 . 2]" 1
614 1 74 ILE H 1 74 ILE HB 3.580 . 3.580 3.071 2.486 3.746 0.166 3 0 "[ . 1 . 2]" 1
615 1 74 ILE H 1 75 LEU H 5.500 . 5.500 4.449 4.178 4.572 . 0 0 "[ . 1 . 2]" 1
616 1 74 ILE HB 1 112 PHE HA 5.500 . 5.500 4.557 2.431 5.590 0.090 18 0 "[ . 1 . 2]" 1
617 1 74 ILE HB 1 112 PHE QD 7.260 . 7.260 4.771 2.571 6.427 . 0 0 "[ . 1 . 2]" 1
618 1 74 ILE MG 1 75 LEU H 6.520 . 6.520 3.618 2.379 4.189 . 0 0 "[ . 1 . 2]" 1
619 1 74 ILE MG 1 112 PHE QD 8.650 . 8.650 3.685 1.669 5.678 . 0 0 "[ . 1 . 2]" 1
620 1 74 ILE MG 1 112 PHE QE 7.350 . 7.350 4.703 2.490 6.659 . 0 0 "[ . 1 . 2]" 1
621 1 82 ALA H 1 83 PHE H 3.300 . 3.300 2.544 2.173 2.793 . 0 0 "[ . 1 . 2]" 1
622 1 82 ALA HA 1 85 ALA H 4.600 . 4.600 3.600 3.206 4.673 0.073 10 0 "[ . 1 . 2]" 1
623 1 82 ALA HA 1 85 ALA MB 5.150 . 5.150 3.164 2.115 4.567 . 0 0 "[ . 1 . 2]" 1
624 1 82 ALA HA 1 86 THR MG 5.620 . 5.620 4.617 3.699 5.723 0.103 11 0 "[ . 1 . 2]" 1
625 1 82 ALA MB 1 86 THR MG 7.320 . 7.320 3.781 2.609 4.875 . 0 0 "[ . 1 . 2]" 1
626 1 83 PHE H 1 84 TRP H 4.260 . 4.260 2.549 1.762 2.843 . 0 0 "[ . 1 . 2]" 1
627 1 84 TRP H 1 85 ALA H 3.550 . 3.550 2.550 2.415 2.758 . 0 0 "[ . 1 . 2]" 1
628 1 84 TRP HA 1 84 TRP HD1 4.660 . 4.660 3.459 2.147 4.603 . 0 0 "[ . 1 . 2]" 1
629 1 84 TRP QB 1 85 ALA H 4.180 . 4.180 2.833 2.119 3.785 . 0 0 "[ . 1 . 2]" 1
630 1 84 TRP HB2 1 85 ALA H 4.600 . 4.600 3.114 2.163 4.177 . 0 0 "[ . 1 . 2]" 1
631 1 84 TRP HB3 1 85 ALA H 4.600 . 4.600 3.640 2.306 4.373 . 0 0 "[ . 1 . 2]" 1
632 1 85 ALA H 1 86 THR H 3.360 . 3.360 2.524 2.246 2.843 . 0 0 "[ . 1 . 2]" 1
633 1 85 ALA H 1 86 THR MG 5.000 . 5.000 4.064 3.155 4.558 . 0 0 "[ . 1 . 2]" 1
634 1 85 ALA HA 1 100 ALA HA 3.580 . 3.580 3.247 2.276 3.738 0.158 7 0 "[ . 1 . 2]" 1
635 1 85 ALA HA 1 100 ALA MB 5.310 . 5.310 3.235 1.625 4.421 . 0 0 "[ . 1 . 2]" 1
636 1 85 ALA HA 1 103 MET H 5.310 . 5.310 4.978 3.923 5.415 0.105 10 0 "[ . 1 . 2]" 1
637 1 85 ALA MB 1 86 THR HA 5.990 . 5.990 4.027 3.839 4.265 . 0 0 "[ . 1 . 2]" 1
638 1 85 ALA MB 1 86 THR MG 7.350 . 7.350 3.192 2.540 4.220 . 0 0 "[ . 1 . 2]" 1
639 1 85 ALA MB 1 87 GLY H 6.520 . 6.520 4.393 3.757 4.889 . 0 0 "[ . 1 . 2]" 1
640 1 85 ALA MB 1 100 ALA HA 6.520 . 6.520 3.459 1.599 5.046 . 0 0 "[ . 1 . 2]" 1
641 1 86 THR H 1 86 THR MG 4.100 . 4.100 2.481 2.051 2.899 . 0 0 "[ . 1 . 2]" 1
642 1 86 THR H 1 87 GLY H 3.330 . 3.330 2.346 1.771 3.003 . 0 0 "[ . 1 . 2]" 1
643 1 86 THR HB 1 87 GLY H 4.510 . 4.510 4.087 3.488 4.581 0.071 15 0 "[ . 1 . 2]" 1
644 1 86 THR MG 1 87 GLY H 5.810 . 5.810 3.563 1.649 4.372 . 0 0 "[ . 1 . 2]" 1
645 1 87 GLY H 1 88 GLU H 3.420 . 3.420 2.925 2.106 3.527 0.107 17 0 "[ . 1 . 2]" 1
646 1 88 GLU H 1 88 GLU HB2 3.580 . 3.580 2.862 2.286 3.621 0.041 4 0 "[ . 1 . 2]" 1
647 1 88 GLU H 1 88 GLU QB 3.400 . 3.400 2.480 2.213 2.701 . 0 0 "[ . 1 . 2]" 1
648 1 88 GLU H 1 88 GLU HB3 3.580 . 3.580 3.127 2.489 3.656 0.076 1 0 "[ . 1 . 2]" 1
649 1 88 GLU H 1 88 GLU HG2 5.500 . 5.500 3.157 1.866 4.503 . 0 0 "[ . 1 . 2]" 1
650 1 88 GLU H 1 88 GLU QG 4.880 . 4.880 2.605 1.855 4.046 . 0 0 "[ . 1 . 2]" 1
651 1 88 GLU H 1 88 GLU HG3 5.500 . 5.500 3.198 2.082 4.684 . 0 0 "[ . 1 . 2]" 1
652 1 88 GLU H 1 89 TRP H 3.520 . 3.520 2.547 2.334 2.848 . 0 0 "[ . 1 . 2]" 1
653 1 88 GLU HB2 1 89 TRP H 5.070 . 5.070 3.072 2.064 4.161 . 0 0 "[ . 1 . 2]" 1
654 1 88 GLU HB3 1 89 TRP H 5.070 . 5.070 3.415 2.078 4.213 . 0 0 "[ . 1 . 2]" 1
655 1 88 GLU QG 1 89 TRP H 6.380 . 6.380 3.467 2.393 4.231 . 0 0 "[ . 1 . 2]" 1
656 1 89 TRP HA 1 89 TRP HD1 4.450 . 4.450 3.749 2.341 4.556 0.106 9 0 "[ . 1 . 2]" 1
657 1 89 TRP HA 1 90 LYS H 3.050 . 3.050 2.410 2.112 2.833 . 0 0 "[ . 1 . 2]" 1
658 1 90 LYS H 1 90 LYS HE2 5.500 . 5.500 4.561 2.067 5.598 0.098 1 0 "[ . 1 . 2]" 1
659 1 90 LYS H 1 90 LYS HE3 5.500 . 5.500 4.302 3.399 5.521 0.021 1 0 "[ . 1 . 2]" 1
660 1 90 LYS H 1 90 LYS HG2 5.340 . 5.340 3.518 1.645 4.641 . 0 0 "[ . 1 . 2]" 1
661 1 90 LYS H 1 90 LYS HG3 5.340 . 5.340 3.620 2.263 4.688 . 0 0 "[ . 1 . 2]" 1
662 1 90 LYS HA 1 90 LYS HD2 5.500 . 5.500 4.190 1.944 5.520 0.020 19 0 "[ . 1 . 2]" 1
663 1 90 LYS HA 1 90 LYS HD3 5.500 . 5.500 4.383 2.099 5.527 0.027 6 0 "[ . 1 . 2]" 1
664 1 90 LYS HA 1 90 LYS HE2 5.500 . 5.500 4.178 1.589 5.431 . 0 0 "[ . 1 . 2]" 1
665 1 90 LYS HA 1 90 LYS HE3 5.500 . 5.500 4.206 1.318 5.377 . 0 0 "[ . 1 . 2]" 1
666 1 90 LYS HA 1 91 ALA H 2.900 . 2.900 2.164 2.078 2.464 . 0 0 "[ . 1 . 2]" 1
667 1 90 LYS QB 1 91 ALA H 4.410 . 4.410 3.324 2.341 3.908 . 0 0 "[ . 1 . 2]" 1
668 1 90 LYS HB2 1 90 LYS HE2 5.500 . 5.500 3.207 1.978 4.613 . 0 0 "[ . 1 . 2]" 1
669 1 90 LYS HB2 1 90 LYS HE3 5.500 . 5.500 2.948 1.789 4.784 . 0 0 "[ . 1 . 2]" 1
670 1 90 LYS HB2 1 91 ALA H 4.630 . 4.630 4.031 2.965 4.431 . 0 0 "[ . 1 . 2]" 1
671 1 90 LYS HB3 1 90 LYS HE2 5.500 . 5.500 3.680 1.735 4.713 . 0 0 "[ . 1 . 2]" 1
672 1 90 LYS HB3 1 90 LYS HE3 5.500 . 5.500 3.399 2.109 5.487 . 0 0 "[ . 1 . 2]" 1
673 1 90 LYS HB3 1 91 ALA H 4.630 . 4.630 3.697 2.376 4.359 . 0 0 "[ . 1 . 2]" 1
674 1 90 LYS HG2 1 91 ALA H 5.500 . 5.500 4.399 2.994 5.237 . 0 0 "[ . 1 . 2]" 1
675 1 90 LYS HG3 1 91 ALA H 5.500 . 5.500 4.164 2.954 5.614 0.114 10 0 "[ . 1 . 2]" 1
676 1 91 ALA HA 1 96 THR HB 5.000 . 5.000 2.778 1.552 4.604 . 0 0 "[ . 1 . 2]" 1
677 1 91 ALA HA 1 96 THR MG 4.220 . 4.220 2.865 2.018 4.272 0.052 13 0 "[ . 1 . 2]" 1
678 1 91 ALA HA 1 97 GLN H 4.720 . 4.720 4.475 3.583 4.803 0.083 15 0 "[ . 1 . 2]" 1
679 1 91 ALA HA 1 97 GLN QB 6.380 . 6.380 5.343 3.859 6.355 . 0 0 "[ . 1 . 2]" 1
680 1 91 ALA MB 1 96 THR H 5.340 . 5.340 4.359 2.538 5.409 0.069 2 0 "[ . 1 . 2]" 1
681 1 91 ALA MB 1 96 THR HB 4.350 . 4.350 2.783 1.657 4.379 0.029 2 0 "[ . 1 . 2]" 1
682 1 91 ALA MB 1 96 THR MG 7.540 . 7.540 3.140 1.854 5.210 . 0 0 "[ . 1 . 2]" 1
683 1 91 ALA MB 1 97 GLN H 4.630 . 4.630 3.100 2.068 4.448 . 0 0 "[ . 1 . 2]" 1
684 1 91 ALA MB 1 97 GLN HA 4.100 . 4.100 2.865 1.929 4.105 0.005 5 0 "[ . 1 . 2]" 1
685 1 91 ALA MB 1 97 GLN HB2 5.990 . 5.990 3.675 2.447 4.712 . 0 0 "[ . 1 . 2]" 1
686 1 91 ALA MB 1 97 GLN QB 5.470 . 5.470 3.414 2.415 4.321 . 0 0 "[ . 1 . 2]" 1
687 1 91 ALA MB 1 97 GLN HB3 5.990 . 5.990 4.251 3.636 5.443 . 0 0 "[ . 1 . 2]" 1
688 1 91 ALA MB 1 97 GLN HG2 4.750 . 4.750 2.520 1.668 3.321 . 0 0 "[ . 1 . 2]" 1
689 1 91 ALA MB 1 97 GLN QG 4.590 . 4.590 2.279 1.658 3.227 . 0 0 "[ . 1 . 2]" 1
690 1 91 ALA MB 1 97 GLN HG3 4.750 . 4.750 3.159 1.792 4.386 . 0 0 "[ . 1 . 2]" 1
691 1 91 ALA MB 1 100 ALA MB 5.990 . 5.990 3.564 1.907 5.499 . 0 0 "[ . 1 . 2]" 1
692 1 95 PHE HA 1 98 ALA MB 4.780 . 4.780 3.086 2.481 3.835 . 0 0 "[ . 1 . 2]" 1
693 1 95 PHE QB 1 96 THR H 3.690 . 3.690 2.834 2.255 3.537 . 0 0 "[ . 1 . 2]" 1
694 1 95 PHE HB2 1 96 THR H 3.920 . 3.920 3.498 2.292 3.992 0.072 20 0 "[ . 1 . 2]" 1
695 1 95 PHE HB3 1 96 THR H 3.920 . 3.920 3.312 2.328 4.025 0.105 14 0 "[ . 1 . 2]" 1
696 1 96 THR H 1 96 THR HB 3.950 . 3.950 2.985 2.550 3.586 . 0 0 "[ . 1 . 2]" 1
697 1 96 THR H 1 96 THR MG 4.290 . 4.290 3.194 1.823 3.769 . 0 0 "[ . 1 . 2]" 1
698 1 96 THR H 1 97 GLN H 3.240 . 3.240 2.674 2.503 2.889 . 0 0 "[ . 1 . 2]" 1
699 1 96 THR H 1 97 GLN QB 5.670 . 5.670 4.416 4.167 4.647 . 0 0 "[ . 1 . 2]" 1
700 1 96 THR H 1 98 ALA H 4.480 . 4.480 4.243 3.984 4.524 0.044 17 0 "[ . 1 . 2]" 1
701 1 96 THR H 1 98 ALA MB 6.520 . 6.520 5.013 4.687 5.444 . 0 0 "[ . 1 . 2]" 1
702 1 96 THR HA 1 99 TYR H 3.670 . 3.670 3.351 3.010 3.689 0.019 19 0 "[ . 1 . 2]" 1
703 1 96 THR HA 1 99 TYR HB2 3.890 . 3.890 3.198 2.377 3.938 0.048 18 0 "[ . 1 . 2]" 1
704 1 96 THR HA 1 99 TYR QB 3.710 . 3.710 2.623 1.870 3.386 . 0 0 "[ . 1 . 2]" 1
705 1 96 THR HA 1 99 TYR HB3 3.890 . 3.890 3.124 1.899 3.974 0.084 13 0 "[ . 1 . 2]" 1
706 1 96 THR HB 1 97 GLN H 4.570 . 4.570 3.121 2.535 4.161 . 0 0 "[ . 1 . 2]" 1
707 1 96 THR MG 1 97 GLN H 5.870 . 5.870 3.780 2.038 4.256 . 0 0 "[ . 1 . 2]" 1
708 1 96 THR MG 1 99 TYR QB 6.690 . 6.690 3.656 2.799 5.133 . 0 0 "[ . 1 . 2]" 1
709 1 97 GLN H 1 97 GLN HB2 3.330 . 3.330 2.180 2.027 2.325 . 0 0 "[ . 1 . 2]" 1
710 1 97 GLN H 1 97 GLN QB 3.100 . 3.100 2.155 1.999 2.294 . 0 0 "[ . 1 . 2]" 1
711 1 97 GLN H 1 97 GLN HB3 3.330 . 3.330 3.380 3.029 3.527 0.197 6 0 "[ . 1 . 2]" 1
712 1 97 GLN H 1 97 GLN HG2 4.140 . 4.140 3.362 2.363 4.248 0.108 7 0 "[ . 1 . 2]" 1
713 1 97 GLN H 1 97 GLN QG 3.780 . 3.780 2.906 2.332 3.604 . 0 0 "[ . 1 . 2]" 1
714 1 97 GLN H 1 97 GLN HG3 4.140 . 4.140 3.575 2.418 4.306 0.166 5 0 "[ . 1 . 2]" 1
715 1 97 GLN H 1 98 ALA H 3.360 . 3.360 2.683 2.507 2.856 . 0 0 "[ . 1 . 2]" 1
716 1 97 GLN HA 1 100 ALA H 4.040 . 4.040 3.453 3.004 4.090 0.050 2 0 "[ . 1 . 2]" 1
717 1 97 GLN HA 1 100 ALA MB 4.160 . 4.160 2.727 2.241 3.762 . 0 0 "[ . 1 . 2]" 1
718 1 97 GLN QB 1 98 ALA H 3.400 . 3.400 2.640 2.452 2.860 . 0 0 "[ . 1 . 2]" 1
719 1 97 GLN HB2 1 98 ALA H 3.730 . 3.730 2.938 2.562 3.401 . 0 0 "[ . 1 . 2]" 1
720 1 97 GLN HB3 1 98 ALA H 3.730 . 3.730 3.200 2.531 3.580 . 0 0 "[ . 1 . 2]" 1
721 1 97 GLN QG 1 98 ALA H 5.270 . 5.270 4.340 4.143 4.538 . 0 0 "[ . 1 . 2]" 1
722 1 97 GLN QG 1 100 ALA MB 6.440 . 6.440 4.259 3.251 5.205 . 0 0 "[ . 1 . 2]" 1
723 1 97 GLN HG2 1 98 ALA H 5.500 . 5.500 4.842 4.509 5.144 . 0 0 "[ . 1 . 2]" 1
724 1 97 GLN HG3 1 98 ALA H 5.500 . 5.500 4.945 4.507 5.248 . 0 0 "[ . 1 . 2]" 1
725 1 98 ALA H 1 98 ALA MB 3.420 . 3.420 2.244 2.225 2.260 . 0 0 "[ . 1 . 2]" 1
726 1 98 ALA H 1 99 TYR H 3.580 . 3.580 2.590 2.409 2.779 . 0 0 "[ . 1 . 2]" 1
727 1 98 ALA H 1 100 ALA H 4.630 . 4.630 4.049 3.846 4.245 . 0 0 "[ . 1 . 2]" 1
728 1 98 ALA MB 1 99 TYR H 4.130 . 4.130 2.606 2.383 2.784 . 0 0 "[ . 1 . 2]" 1
729 1 98 ALA MB 1 100 ALA H 6.520 . 6.520 4.519 4.383 4.728 . 0 0 "[ . 1 . 2]" 1
730 1 99 TYR H 1 99 TYR HB2 3.420 . 3.420 2.447 2.080 2.756 . 0 0 "[ . 1 . 2]" 1
731 1 99 TYR H 1 99 TYR HB3 3.420 . 3.420 2.806 2.405 3.544 0.124 5 0 "[ . 1 . 2]" 1
732 1 99 TYR H 1 100 ALA H 3.580 . 3.580 2.562 2.347 2.756 . 0 0 "[ . 1 . 2]" 1
733 1 99 TYR QB 1 100 ALA H 3.720 . 3.720 2.677 2.499 2.911 . 0 0 "[ . 1 . 2]" 1
734 1 99 TYR HB2 1 100 ALA H 4.140 . 4.140 3.617 2.559 4.010 . 0 0 "[ . 1 . 2]" 1
735 1 99 TYR HB3 1 100 ALA H 4.140 . 4.140 2.902 2.561 3.630 . 0 0 "[ . 1 . 2]" 1
736 1 99 TYR QD 1 100 ALA H 7.630 . 7.630 4.017 3.438 4.743 . 0 0 "[ . 1 . 2]" 1
737 1 99 TYR QE 1 100 ALA H 7.630 . 7.630 6.054 5.530 6.785 . 0 0 "[ . 1 . 2]" 1
738 1 100 ALA H 1 101 LYS H 3.610 . 3.610 2.591 2.333 2.795 . 0 0 "[ . 1 . 2]" 1
739 1 100 ALA HA 1 103 MET H 4.630 . 4.630 3.664 3.034 4.664 0.034 1 0 "[ . 1 . 2]" 1
740 1 100 ALA HA 1 103 MET QB 5.140 . 5.140 3.163 1.494 4.709 . 0 0 "[ . 1 . 2]" 1
741 1 100 ALA MB 1 101 LYS H 4.320 . 4.320 2.702 2.392 3.086 . 0 0 "[ . 1 . 2]" 1
742 1 100 ALA MB 1 103 MET H 5.650 . 5.650 4.504 2.692 4.891 . 0 0 "[ . 1 . 2]" 1
743 1 103 MET H 1 103 MET QB 3.730 . 3.730 2.351 2.218 2.642 . 0 0 "[ . 1 . 2]" 1
744 1 103 MET H 1 104 ASN H 3.390 . 3.390 2.585 2.406 2.796 . 0 0 "[ . 1 . 2]" 1
745 1 103 MET HB2 1 104 ASN H 4.630 . 4.630 3.506 2.598 4.110 . 0 0 "[ . 1 . 2]" 1
746 1 103 MET HB3 1 104 ASN H 4.630 . 4.630 3.331 2.379 4.087 . 0 0 "[ . 1 . 2]" 1
747 1 104 ASN H 1 104 ASN HB2 3.170 . 3.170 2.407 2.173 2.575 . 0 0 "[ . 1 . 2]" 1
748 1 104 ASN H 1 104 ASN QB 2.950 . 2.950 2.220 2.115 2.267 . 0 0 "[ . 1 . 2]" 1
749 1 104 ASN H 1 104 ASN HB3 3.170 . 3.170 2.632 2.479 2.901 . 0 0 "[ . 1 . 2]" 1
750 1 104 ASN H 1 105 GLN H 3.270 . 3.270 2.649 2.382 2.933 . 0 0 "[ . 1 . 2]" 1
751 1 104 ASN HA 1 106 TYR H 4.570 . 4.570 4.138 3.733 4.513 . 0 0 "[ . 1 . 2]" 1
752 1 104 ASN HA 1 107 ARG H 4.230 . 4.230 3.339 2.883 3.713 . 0 0 "[ . 1 . 2]" 1
753 1 104 ASN HA 1 107 ARG HB2 4.510 . 4.510 3.210 2.117 4.642 0.132 15 0 "[ . 1 . 2]" 1
754 1 104 ASN HA 1 107 ARG QB 4.240 . 4.240 2.776 1.740 3.827 . 0 0 "[ . 1 . 2]" 1
755 1 104 ASN HA 1 107 ARG HB3 4.510 . 4.510 3.658 1.768 4.616 0.106 1 0 "[ . 1 . 2]" 1
756 1 104 ASN HA 1 107 ARG HD2 5.500 . 5.500 4.282 2.238 5.435 . 0 0 "[ . 1 . 2]" 1
757 1 104 ASN HA 1 107 ARG HD3 5.500 . 5.500 4.192 1.696 5.515 0.015 20 0 "[ . 1 . 2]" 1
758 1 104 ASN HA 1 107 ARG HG2 5.500 . 5.500 3.355 1.669 5.438 . 0 0 "[ . 1 . 2]" 1
759 1 104 ASN HA 1 107 ARG HG3 5.500 . 5.500 3.359 1.756 5.511 0.011 14 0 "[ . 1 . 2]" 1
760 1 104 ASN QB 1 105 GLN H 3.570 . 3.570 2.764 2.539 3.071 . 0 0 "[ . 1 . 2]" 1
761 1 104 ASN QB 1 107 ARG QG 5.870 . 5.870 4.440 3.442 5.769 . 0 0 "[ . 1 . 2]" 1
762 1 104 ASN HB2 1 105 GLN H 3.830 . 3.830 3.915 3.834 3.992 0.162 14 0 "[ . 1 . 2]" 1
763 1 104 ASN HB3 1 105 GLN H 3.830 . 3.830 2.829 2.576 3.210 . 0 0 "[ . 1 . 2]" 1
764 1 105 GLN H 1 105 GLN HB2 3.420 . 3.420 2.348 2.023 3.588 0.168 19 0 "[ . 1 . 2]" 1
765 1 105 GLN H 1 105 GLN QB 3.230 . 3.230 2.154 2.003 2.675 . 0 0 "[ . 1 . 2]" 1
766 1 105 GLN H 1 105 GLN HB3 3.420 . 3.420 2.911 2.485 3.309 . 0 0 "[ . 1 . 2]" 1
767 1 105 GLN H 1 105 GLN QE 6.360 . 6.360 4.386 3.548 5.021 . 0 0 "[ . 1 . 2]" 1
768 1 105 GLN H 1 105 GLN HG2 4.170 . 4.170 3.894 2.329 4.408 0.238 7 0 "[ . 1 . 2]" 1
769 1 105 GLN H 1 105 GLN QG 4.010 . 4.010 3.421 1.829 3.818 . 0 0 "[ . 1 . 2]" 1
770 1 105 GLN H 1 105 GLN HG3 4.170 . 4.170 3.948 1.837 4.357 0.187 4 0 "[ . 1 . 2]" 1
771 1 105 GLN H 1 106 TYR H 3.140 . 3.140 2.727 2.427 3.011 . 0 0 "[ . 1 . 2]" 1
772 1 105 GLN QB 1 106 TYR H 3.890 . 3.890 2.780 2.413 3.678 . 0 0 "[ . 1 . 2]" 1
773 1 105 GLN HB2 1 106 TYR H 4.260 . 4.260 3.581 3.131 4.011 . 0 0 "[ . 1 . 2]" 1
774 1 105 GLN HB3 1 106 TYR H 4.260 . 4.260 2.959 2.454 4.307 0.047 14 0 "[ . 1 . 2]" 1
775 1 105 GLN QE 1 106 TYR H 4.860 . 4.860 3.773 2.920 4.691 . 0 0 "[ . 1 . 2]" 1
776 1 105 GLN HE21 1 106 TYR H 5.500 . 5.500 3.922 2.958 5.066 . 0 0 "[ . 1 . 2]" 1
777 1 105 GLN HE22 1 106 TYR H 5.500 . 5.500 5.136 3.764 5.651 0.151 15 0 "[ . 1 . 2]" 1
778 1 105 GLN QG 1 106 TYR H 5.220 . 5.220 4.134 2.035 4.579 . 0 0 "[ . 1 . 2]" 1
779 1 105 GLN HG2 1 106 TYR H 5.500 . 5.500 4.650 2.765 5.013 . 0 0 "[ . 1 . 2]" 1
780 1 105 GLN HG3 1 106 TYR H 5.500 . 5.500 4.782 2.095 5.487 . 0 0 "[ . 1 . 2]" 1
781 1 106 TYR H 1 106 TYR HB2 3.670 . 3.670 3.023 2.563 3.724 0.054 3 0 "[ . 1 . 2]" 1
782 1 106 TYR H 1 106 TYR QB 3.420 . 3.420 2.470 2.227 2.992 . 0 0 "[ . 1 . 2]" 1
783 1 106 TYR H 1 106 TYR HB3 3.670 . 3.670 2.643 2.363 3.189 . 0 0 "[ . 1 . 2]" 1
784 1 106 TYR H 1 107 ARG H 3.450 . 3.450 2.432 2.196 2.770 . 0 0 "[ . 1 . 2]" 1
785 1 106 TYR QD 1 107 ARG QB 8.510 . 8.510 4.789 3.880 5.541 . 0 0 "[ . 1 . 2]" 1
786 1 106 TYR QD 1 109 ILE MD 7.320 . 7.320 4.751 2.515 7.102 . 0 0 "[ . 1 . 2]" 1
787 1 106 TYR QD 1 109 ILE QG 8.510 . 8.510 6.007 3.452 8.037 . 0 0 "[ . 1 . 2]" 1
788 1 106 TYR QE 1 107 ARG H 7.630 . 7.630 5.739 4.417 6.272 . 0 0 "[ . 1 . 2]" 1
789 1 106 TYR QE 1 107 ARG HA 7.630 . 7.630 5.110 4.257 5.715 . 0 0 "[ . 1 . 2]" 1
790 1 106 TYR QE 1 107 ARG HB2 7.630 . 7.630 6.785 5.146 7.702 0.072 18 0 "[ . 1 . 2]" 1
791 1 106 TYR QE 1 107 ARG HB3 7.630 . 7.630 6.860 5.140 7.688 0.058 13 0 "[ . 1 . 2]" 1
792 1 106 TYR QE 1 109 ILE MD 8.650 . 8.650 5.182 3.174 7.975 . 0 0 "[ . 1 . 2]" 1
793 1 107 ARG H 1 107 ARG HB2 3.520 . 3.520 2.702 2.269 3.611 0.091 6 0 "[ . 1 . 2]" 1
794 1 107 ARG H 1 107 ARG QB 3.200 . 3.200 2.389 2.227 2.665 . 0 0 "[ . 1 . 2]" 1
795 1 107 ARG H 1 107 ARG HB3 3.520 . 3.520 3.119 2.371 3.628 0.108 16 0 "[ . 1 . 2]" 1
796 1 107 ARG H 1 107 ARG HG2 5.470 . 5.470 3.299 2.121 4.512 . 0 0 "[ . 1 . 2]" 1
797 1 107 ARG H 1 107 ARG HG3 5.470 . 5.470 3.450 2.049 4.571 . 0 0 "[ . 1 . 2]" 1
798 1 107 ARG HA 1 107 ARG HD2 5.500 . 5.500 3.847 2.106 4.764 . 0 0 "[ . 1 . 2]" 1
799 1 107 ARG HA 1 107 ARG HD3 5.500 . 5.500 3.879 1.923 5.484 . 0 0 "[ . 1 . 2]" 1
800 1 107 ARG HA 1 108 GLY H 3.210 . 3.210 2.213 2.090 2.389 . 0 0 "[ . 1 . 2]" 1
801 1 107 ARG QB 1 108 GLY H 4.250 . 4.250 3.156 2.461 3.885 . 0 0 "[ . 1 . 2]" 1
802 1 107 ARG HB2 1 108 GLY H 4.480 . 4.480 3.877 2.491 4.451 . 0 0 "[ . 1 . 2]" 1
803 1 107 ARG HB3 1 108 GLY H 4.480 . 4.480 3.552 2.503 4.411 . 0 0 "[ . 1 . 2]" 1
804 1 107 ARG HG2 1 108 GLY H 5.500 . 5.500 4.349 2.148 5.508 0.008 6 0 "[ . 1 . 2]" 1
805 1 107 ARG HG3 1 108 GLY H 5.500 . 5.500 4.514 2.543 5.527 0.027 16 0 "[ . 1 . 2]" 1
806 1 108 GLY H 1 109 ILE H 3.730 . 3.730 2.722 1.871 3.745 0.015 18 0 "[ . 1 . 2]" 1
807 1 109 ILE H 1 109 ILE HB 3.760 . 3.760 2.650 2.410 3.668 . 0 0 "[ . 1 . 2]" 1
808 1 109 ILE H 1 109 ILE MD 5.370 . 5.370 2.580 1.441 3.601 . 0 0 "[ . 1 . 2]" 1
809 1 109 ILE H 1 109 ILE HG12 5.130 . 5.130 3.282 2.164 4.029 . 0 0 "[ . 1 . 2]" 1
810 1 109 ILE H 1 109 ILE QG 4.550 . 4.550 2.453 1.750 3.195 . 0 0 "[ . 1 . 2]" 1
811 1 109 ILE H 1 109 ILE HG13 5.130 . 5.130 2.846 1.759 3.793 . 0 0 "[ . 1 . 2]" 1
812 1 109 ILE H 1 109 ILE MG 4.720 . 4.720 3.702 2.283 3.838 . 0 0 "[ . 1 . 2]" 1
813 1 109 ILE H 1 110 TYR H 3.210 . 3.210 2.447 2.117 2.752 . 0 0 "[ . 1 . 2]" 1
814 1 109 ILE HB 1 110 TYR H 4.510 . 4.510 2.829 2.497 3.959 . 0 0 "[ . 1 . 2]" 1
815 1 109 ILE MD 1 110 TYR H 5.990 . 5.990 4.015 2.420 4.724 . 0 0 "[ . 1 . 2]" 1
816 1 109 ILE QG 1 110 TYR H 5.290 . 5.290 4.015 2.389 4.538 . 0 0 "[ . 1 . 2]" 1
817 1 109 ILE HG12 1 110 TYR H 5.500 . 5.500 4.752 2.407 5.491 . 0 0 "[ . 1 . 2]" 1
818 1 109 ILE HG13 1 110 TYR H 5.500 . 5.500 4.509 3.756 5.366 . 0 0 "[ . 1 . 2]" 1
819 1 109 ILE MG 1 110 TYR H 5.770 . 5.770 3.686 3.441 4.044 . 0 0 "[ . 1 . 2]" 1
820 1 109 ILE MG 1 110 TYR HA 6.430 . 6.430 4.032 3.350 5.588 . 0 0 "[ . 1 . 2]" 1
821 1 110 TYR HA 1 111 SER H 3.240 . 3.240 2.255 2.175 2.514 . 0 0 "[ . 1 . 2]" 1
822 1 110 TYR QB 1 111 SER H 3.970 . 3.970 2.920 2.151 3.610 . 0 0 "[ . 1 . 2]" 1
823 1 110 TYR HB2 1 111 SER H 4.350 . 4.350 3.162 2.171 4.271 . 0 0 "[ . 1 . 2]" 1
824 1 110 TYR HB3 1 111 SER H 4.350 . 4.350 3.911 3.122 4.152 . 0 0 "[ . 1 . 2]" 1
825 1 111 SER QB 1 112 PHE H 4.140 . 4.140 2.897 2.270 3.541 . 0 0 "[ . 1 . 2]" 1
826 1 111 SER HB2 1 112 PHE H 4.660 . 4.660 3.402 2.291 4.214 . 0 0 "[ . 1 . 2]" 1
827 1 111 SER HB3 1 112 PHE H 4.660 . 4.660 3.493 2.419 4.140 . 0 0 "[ . 1 . 2]" 1
828 1 112 PHE HA 1 113 GLU H 3.240 . 3.240 2.234 2.112 2.507 . 0 0 "[ . 1 . 2]" 1
829 1 112 PHE HB2 1 113 GLU H 5.500 . 5.500 3.545 2.927 4.246 . 0 0 "[ . 1 . 2]" 1
830 1 112 PHE HB3 1 113 GLU H 5.500 . 5.500 3.451 2.158 4.129 . 0 0 "[ . 1 . 2]" 1
831 1 112 PHE QD 1 113 GLU H 7.630 . 7.630 3.783 2.387 4.550 . 0 0 "[ . 1 . 2]" 1
832 1 113 GLU HA 1 114 LYS H 3.050 . 3.050 2.235 2.084 2.390 . 0 0 "[ . 1 . 2]" 1
833 1 113 GLU QB 1 114 LYS H 4.260 . 4.260 3.253 2.607 3.919 . 0 0 "[ . 1 . 2]" 1
834 1 113 GLU HB2 1 114 LYS H 4.940 . 4.940 4.094 3.389 4.513 . 0 0 "[ . 1 . 2]" 1
835 1 113 GLU HB3 1 114 LYS H 4.940 . 4.940 3.520 2.644 4.400 . 0 0 "[ . 1 . 2]" 1
836 1 113 GLU QG 1 114 LYS H 5.050 . 5.050 3.609 2.441 4.426 . 0 0 "[ . 1 . 2]" 1
837 1 113 GLU HG2 1 114 LYS H 5.250 . 5.250 4.088 2.585 5.169 . 0 0 "[ . 1 . 2]" 1
838 1 113 GLU HG3 1 114 LYS H 5.250 . 5.250 4.257 2.568 5.427 0.177 17 0 "[ . 1 . 2]" 1
839 1 114 LYS H 1 114 LYS HB2 3.450 . 3.450 2.852 2.282 3.601 0.151 10 0 "[ . 1 . 2]" 1
840 1 114 LYS H 1 114 LYS QB 3.260 . 3.260 2.510 2.256 2.913 . 0 0 "[ . 1 . 2]" 1
841 1 114 LYS H 1 114 LYS HB3 3.450 . 3.450 3.039 2.448 3.633 0.183 11 0 "[ . 1 . 2]" 1
842 1 114 LYS H 1 114 LYS HD2 5.500 . 5.500 4.430 3.225 5.082 . 0 0 "[ . 1 . 2]" 1
843 1 114 LYS H 1 114 LYS HD3 5.500 . 5.500 4.461 1.753 5.283 . 0 0 "[ . 1 . 2]" 1
844 1 114 LYS H 1 114 LYS HG2 5.500 . 5.500 3.846 1.450 5.118 . 0 0 "[ . 1 . 2]" 1
845 1 114 LYS H 1 114 LYS HG3 5.500 . 5.500 3.675 2.089 4.750 . 0 0 "[ . 1 . 2]" 1
846 1 114 LYS H 1 115 VAL H 4.630 . 4.630 4.093 3.745 4.502 . 0 0 "[ . 1 . 2]" 1
847 1 114 LYS HA 1 114 LYS HD2 5.500 . 5.500 3.723 1.888 5.532 0.032 10 0 "[ . 1 . 2]" 1
848 1 114 LYS HA 1 114 LYS HD3 5.500 . 5.500 3.914 2.722 4.877 . 0 0 "[ . 1 . 2]" 1
849 1 114 LYS HA 1 114 LYS HE2 5.500 . 5.500 4.911 4.253 5.622 0.122 13 0 "[ . 1 . 2]" 1
850 1 114 LYS HA 1 114 LYS HE3 5.500 . 5.500 4.881 3.754 5.856 0.356 13 0 "[ . 1 . 2]" 1
851 1 114 LYS HA 1 115 VAL H 3.110 . 3.110 2.219 2.088 2.328 . 0 0 "[ . 1 . 2]" 1
852 1 114 LYS HB2 1 114 LYS HE2 5.500 . 5.500 4.263 1.993 4.821 . 0 0 "[ . 1 . 2]" 1
853 1 114 LYS HB2 1 114 LYS HE3 5.500 . 5.500 4.222 2.636 4.659 . 0 0 "[ . 1 . 2]" 1
854 1 114 LYS HB2 1 115 VAL H 4.660 . 4.660 4.323 3.300 4.607 . 0 0 "[ . 1 . 2]" 1
855 1 114 LYS HB3 1 114 LYS HE2 5.500 . 5.500 4.278 2.013 5.513 0.013 19 0 "[ . 1 . 2]" 1
856 1 114 LYS HB3 1 114 LYS HE3 5.500 . 5.500 4.390 3.054 4.823 . 0 0 "[ . 1 . 2]" 1
857 1 114 LYS HB3 1 115 VAL H 4.660 . 4.660 4.120 3.078 4.495 . 0 0 "[ . 1 . 2]" 1
858 1 114 LYS QG 1 115 VAL H 5.200 . 5.200 3.911 2.469 4.533 . 0 0 "[ . 1 . 2]" 1
859 1 114 LYS HG2 1 115 VAL H 5.500 . 5.500 4.769 4.048 5.509 0.009 11 0 "[ . 1 . 2]" 1
860 1 114 LYS HG3 1 115 VAL H 5.500 . 5.500 4.328 2.491 5.683 0.183 8 0 "[ . 1 . 2]" 1
861 1 115 VAL H 1 115 VAL HB 3.860 . 3.860 3.165 2.524 3.810 . 0 0 "[ . 1 . 2]" 1
862 1 115 VAL H 1 116 LYS H 5.130 . 5.130 4.391 3.927 4.570 . 0 0 "[ . 1 . 2]" 1
863 1 115 VAL HA 1 116 LYS H 3.270 . 3.270 2.256 2.068 2.464 . 0 0 "[ . 1 . 2]" 1
864 1 115 VAL HB 1 116 LYS H 4.420 . 4.420 3.667 2.364 4.433 0.013 18 0 "[ . 1 . 2]" 1
865 1 115 VAL MG1 1 116 LYS H 6.520 . 6.520 3.551 2.005 4.246 . 0 0 "[ . 1 . 2]" 1
866 1 115 VAL MG2 1 116 LYS H 6.520 . 6.520 3.241 2.127 4.357 . 0 0 "[ . 1 . 2]" 1
867 1 116 LYS H 1 116 LYS HD2 5.500 . 5.500 4.387 1.539 5.529 0.029 12 0 "[ . 1 . 2]" 1
868 1 116 LYS H 1 116 LYS HD3 5.500 . 5.500 4.382 2.720 5.275 . 0 0 "[ . 1 . 2]" 1
869 1 116 LYS H 1 116 LYS HG2 5.500 . 5.500 3.754 1.834 5.058 . 0 0 "[ . 1 . 2]" 1
870 1 116 LYS H 1 116 LYS HG3 5.500 . 5.500 4.075 1.921 5.140 . 0 0 "[ . 1 . 2]" 1
871 1 116 LYS HA 1 116 LYS HD2 5.500 . 5.500 3.531 1.923 5.517 0.017 14 0 "[ . 1 . 2]" 1
872 1 116 LYS HA 1 116 LYS HD3 5.500 . 5.500 3.330 1.904 5.113 . 0 0 "[ . 1 . 2]" 1
873 1 116 LYS HA 1 116 LYS HE2 5.500 . 5.500 4.602 4.172 5.512 0.012 4 0 "[ . 1 . 2]" 1
874 1 116 LYS HA 1 116 LYS HE3 5.500 . 5.500 4.763 4.106 5.723 0.223 7 0 "[ . 1 . 2]" 1
875 1 116 LYS HA 1 117 ALA H 3.480 . 3.480 2.255 2.111 2.573 . 0 0 "[ . 1 . 2]" 1
876 1 116 LYS HB2 1 116 LYS HE2 5.500 . 5.500 4.298 2.018 5.519 0.019 9 0 "[ . 1 . 2]" 1
877 1 116 LYS HB2 1 116 LYS HE3 5.500 . 5.500 4.519 3.169 5.507 0.007 15 0 "[ . 1 . 2]" 1
878 1 116 LYS HB2 1 117 ALA H 5.500 . 5.500 3.833 2.137 4.628 . 0 0 "[ . 1 . 2]" 1
879 1 116 LYS HB3 1 116 LYS HE2 5.500 . 5.500 4.121 1.883 5.506 0.006 6 0 "[ . 1 . 2]" 1
880 1 116 LYS HB3 1 116 LYS HE3 5.500 . 5.500 4.236 2.059 5.486 . 0 0 "[ . 1 . 2]" 1
881 1 116 LYS HB3 1 117 ALA H 5.500 . 5.500 3.842 2.297 4.428 . 0 0 "[ . 1 . 2]" 1
882 1 116 LYS HD2 1 117 ALA H 5.500 . 5.500 4.320 2.899 5.647 0.147 20 0 "[ . 1 . 2]" 1
883 1 116 LYS HD3 1 117 ALA H 5.500 . 5.500 4.178 2.523 5.609 0.109 6 0 "[ . 1 . 2]" 1
884 1 116 LYS HG2 1 117 ALA H 5.500 . 5.500 4.554 2.789 5.605 0.105 6 0 "[ . 1 . 2]" 1
885 1 116 LYS HG3 1 117 ALA H 5.500 . 5.500 4.375 2.612 5.516 0.016 18 0 "[ . 1 . 2]" 1
886 1 118 HIS HB2 1 119 SER H 5.500 . 5.500 4.147 2.357 4.512 . 0 0 "[ . 1 . 2]" 1
887 1 118 HIS HB3 1 119 SER H 5.500 . 5.500 4.069 1.970 4.696 . 0 0 "[ . 1 . 2]" 1
888 1 119 SER H 1 120 GLY H 4.510 . 4.510 2.491 1.715 3.118 . 0 0 "[ . 1 . 2]" 1
889 1 120 GLY H 1 121 ASN H 4.200 . 4.200 3.549 2.124 4.513 0.313 13 0 "[ . 1 . 2]" 1
890 1 120 GLY QA 1 124 ASN QB 5.680 . 5.680 3.477 2.241 5.304 . 0 0 "[ . 1 . 2]" 1
891 1 121 ASN H 1 121 ASN HB2 3.950 . 3.950 2.497 2.274 3.109 . 0 0 "[ . 1 . 2]" 1
892 1 121 ASN H 1 121 ASN QB 3.770 . 3.770 2.336 2.222 2.466 . 0 0 "[ . 1 . 2]" 1
893 1 121 ASN H 1 121 ASN HB3 3.950 . 3.950 3.114 2.448 3.698 . 0 0 "[ . 1 . 2]" 1
894 1 121 ASN H 1 124 ASN QB 4.890 . 4.890 3.097 1.918 4.905 0.015 20 0 "[ . 1 . 2]" 1
895 1 121 ASN HA 1 122 GLU H 3.550 . 3.550 2.434 2.140 2.630 . 0 0 "[ . 1 . 2]" 1
896 1 121 ASN QB 1 122 GLU H 3.920 . 3.920 2.807 1.916 3.862 . 0 0 "[ . 1 . 2]" 1
897 1 121 ASN HB2 1 122 GLU H 4.320 . 4.320 3.787 3.194 4.336 0.016 6 0 "[ . 1 . 2]" 1
898 1 121 ASN HB3 1 122 GLU H 4.320 . 4.320 2.952 1.926 4.335 0.015 6 0 "[ . 1 . 2]" 1
899 1 122 GLU H 1 122 GLU HG2 5.500 . 5.500 3.686 2.169 4.564 . 0 0 "[ . 1 . 2]" 1
900 1 122 GLU H 1 122 GLU HG3 5.500 . 5.500 3.219 1.985 4.491 . 0 0 "[ . 1 . 2]" 1
901 1 122 GLU H 1 123 PHE H 3.860 . 3.860 2.724 2.367 3.082 . 0 0 "[ . 1 . 2]" 1
902 1 122 GLU HA 1 123 PHE H 3.450 . 3.450 3.479 3.221 3.559 0.109 17 0 "[ . 1 . 2]" 1
903 1 122 GLU HA 1 125 ASP H 4.070 . 4.070 3.466 2.572 4.024 . 0 0 "[ . 1 . 2]" 1
904 1 122 GLU HA 1 125 ASP QB 4.490 . 4.490 2.940 1.629 3.814 . 0 0 "[ . 1 . 2]" 1
905 1 122 GLU HB2 1 123 PHE H 5.070 . 5.070 3.235 2.411 4.051 . 0 0 "[ . 1 . 2]" 1
906 1 122 GLU HB3 1 123 PHE H 5.070 . 5.070 3.478 2.163 4.264 . 0 0 "[ . 1 . 2]" 1
907 1 122 GLU HG2 1 123 PHE H 5.500 . 5.500 4.578 2.394 5.349 . 0 0 "[ . 1 . 2]" 1
908 1 122 GLU HG3 1 123 PHE H 5.500 . 5.500 4.585 4.031 5.053 . 0 0 "[ . 1 . 2]" 1
909 1 123 PHE H 1 124 ASN H 3.450 . 3.450 2.568 2.370 2.704 . 0 0 "[ . 1 . 2]" 1
910 1 124 ASN H 1 124 ASN HB2 4.070 . 4.070 2.632 2.320 3.634 . 0 0 "[ . 1 . 2]" 1
911 1 124 ASN H 1 124 ASN HB3 4.070 . 4.070 2.923 2.317 3.634 . 0 0 "[ . 1 . 2]" 1
912 1 124 ASN H 1 125 ASP H 3.730 . 3.730 2.535 2.341 2.678 . 0 0 "[ . 1 . 2]" 1
913 1 124 ASN QB 1 125 ASP H 3.720 . 3.720 2.697 2.301 3.551 . 0 0 "[ . 1 . 2]" 1
914 1 124 ASN HB2 1 125 ASP H 4.110 . 4.110 3.448 2.383 3.961 . 0 0 "[ . 1 . 2]" 1
915 1 124 ASN HB3 1 125 ASP H 4.110 . 4.110 3.127 2.329 4.058 . 0 0 "[ . 1 . 2]" 1
916 1 125 ASP H 1 126 TYR H 3.050 . 3.050 2.612 2.405 2.874 . 0 0 "[ . 1 . 2]" 1
917 1 125 ASP HB2 1 126 TYR H 5.190 . 5.190 3.886 2.864 4.111 . 0 0 "[ . 1 . 2]" 1
918 1 125 ASP HB3 1 126 TYR H 5.190 . 5.190 2.913 2.563 3.885 . 0 0 "[ . 1 . 2]" 1
919 1 126 TYR H 1 126 TYR QB 3.880 . 3.880 2.224 2.102 2.335 . 0 0 "[ . 1 . 2]" 1
920 1 126 TYR H 1 127 VAL H 5.500 . 5.500 2.740 2.619 2.878 . 0 0 "[ . 1 . 2]" 1
921 1 126 TYR QB 1 127 VAL H 4.040 . 4.040 2.478 2.235 2.772 . 0 0 "[ . 1 . 2]" 1
922 1 126 TYR HB2 1 127 VAL H 4.230 . 4.230 3.540 2.439 4.004 . 0 0 "[ . 1 . 2]" 1
923 1 126 TYR HB3 1 127 VAL H 4.230 . 4.230 2.634 2.260 3.341 . 0 0 "[ . 1 . 2]" 1
924 1 126 TYR QD 1 127 VAL H 7.630 . 7.630 3.796 2.911 4.522 . 0 0 "[ . 1 . 2]" 1
925 1 126 TYR QD 1 127 VAL HB 7.630 . 7.630 4.683 2.946 7.405 . 0 0 "[ . 1 . 2]" 1
926 1 126 TYR QD 1 127 VAL MG1 8.650 . 8.650 4.935 3.757 6.394 . 0 0 "[ . 1 . 2]" 1
927 1 126 TYR QD 1 127 VAL MG2 8.650 . 8.650 4.642 3.041 6.532 . 0 0 "[ . 1 . 2]" 1
928 1 126 TYR QD 1 129 MET QB 8.510 . 8.510 4.737 3.128 6.308 . 0 0 "[ . 1 . 2]" 1
929 1 126 TYR QD 1 129 MET ME 7.960 . 7.960 3.330 1.918 5.544 . 0 0 "[ . 1 . 2]" 1
930 1 126 TYR QD 1 130 LYS QB 8.510 . 8.510 4.812 3.036 6.270 . 0 0 "[ . 1 . 2]" 1
931 1 126 TYR QD 1 130 LYS QD 8.510 . 8.510 5.477 3.490 7.764 . 0 0 "[ . 1 . 2]" 1
932 1 126 TYR QD 1 130 LYS HG2 7.630 . 7.630 5.361 3.220 7.645 0.015 19 0 "[ . 1 . 2]" 1
933 1 126 TYR QD 1 130 LYS HG3 7.630 . 7.630 5.285 3.703 6.813 . 0 0 "[ . 1 . 2]" 1
934 1 126 TYR QE 1 129 MET ME 8.440 . 8.440 3.990 3.013 5.761 . 0 0 "[ . 1 . 2]" 1
935 1 126 TYR QE 1 130 LYS QD 8.510 . 8.510 5.576 2.826 7.869 . 0 0 "[ . 1 . 2]" 1
936 1 126 TYR QE 1 130 LYS HG2 7.630 . 7.630 5.466 3.856 7.648 0.018 14 0 "[ . 1 . 2]" 1
937 1 126 TYR QE 1 130 LYS HG3 7.630 . 7.630 5.403 3.684 7.669 0.039 17 0 "[ . 1 . 2]" 1
938 1 127 VAL H 1 127 VAL MG1 4.350 . 4.350 2.476 1.976 3.780 . 0 0 "[ . 1 . 2]" 1
939 1 127 VAL HA 1 130 LYS H 3.950 . 3.950 3.254 2.974 3.586 . 0 0 "[ . 1 . 2]" 1
940 1 127 VAL HA 1 130 LYS HB2 3.950 . 3.950 2.631 2.128 3.957 0.007 12 0 "[ . 1 . 2]" 1
941 1 127 VAL HA 1 130 LYS QB 3.710 . 3.710 2.476 2.031 3.386 . 0 0 "[ . 1 . 2]" 1
942 1 127 VAL HA 1 130 LYS HB3 3.950 . 3.950 3.451 2.371 3.989 0.039 7 0 "[ . 1 . 2]" 1
943 1 127 VAL HA 1 131 ALA H 5.310 . 5.310 4.091 3.766 4.562 . 0 0 "[ . 1 . 2]" 1
944 1 127 VAL MG1 1 128 ASP H 5.530 . 5.530 2.764 2.220 4.000 . 0 0 "[ . 1 . 2]" 1
945 1 128 ASP H 1 129 MET H 3.790 . 3.790 2.735 2.532 2.897 . 0 0 "[ . 1 . 2]" 1
946 1 128 ASP HB2 1 129 MET H 4.630 . 4.630 3.797 2.565 4.046 . 0 0 "[ . 1 . 2]" 1
947 1 128 ASP HB3 1 129 MET H 4.630 . 4.630 2.552 2.301 3.513 . 0 0 "[ . 1 . 2]" 1
948 1 129 MET H 1 129 MET ME 5.590 . 5.590 4.014 3.417 4.701 . 0 0 "[ . 1 . 2]" 1
949 1 129 MET H 1 130 LYS H 4.450 . 4.450 2.661 2.521 2.777 . 0 0 "[ . 1 . 2]" 1
950 1 129 MET HA 1 132 LYS QB 5.080 . 5.080 2.872 1.819 4.135 . 0 0 "[ . 1 . 2]" 1
951 1 129 MET HA 1 132 LYS QD 6.380 . 6.380 3.912 2.089 5.903 . 0 0 "[ . 1 . 2]" 1
952 1 129 MET HB2 1 130 LYS H 5.500 . 5.500 3.649 2.488 4.005 . 0 0 "[ . 1 . 2]" 1
953 1 129 MET HB3 1 130 LYS H 5.500 . 5.500 3.173 2.524 4.035 . 0 0 "[ . 1 . 2]" 1
954 1 129 MET ME 1 130 LYS H 5.930 . 5.930 4.177 3.453 5.224 . 0 0 "[ . 1 . 2]" 1
955 1 130 LYS H 1 130 LYS HB2 3.860 . 3.860 2.283 2.110 2.571 . 0 0 "[ . 1 . 2]" 1
956 1 130 LYS H 1 130 LYS QB 3.600 . 3.600 2.214 2.088 2.459 . 0 0 "[ . 1 . 2]" 1
957 1 130 LYS H 1 130 LYS HB3 3.860 . 3.860 3.168 2.477 3.608 . 0 0 "[ . 1 . 2]" 1
958 1 130 LYS H 1 130 LYS QD 5.760 . 5.760 3.926 2.466 4.516 . 0 0 "[ . 1 . 2]" 1
959 1 130 LYS H 1 130 LYS HG2 5.130 . 5.130 3.787 2.146 4.599 . 0 0 "[ . 1 . 2]" 1
960 1 130 LYS H 1 130 LYS HG3 5.130 . 5.130 4.005 2.446 4.608 . 0 0 "[ . 1 . 2]" 1
961 1 130 LYS H 1 131 ALA H 5.500 . 5.500 2.683 2.396 2.935 . 0 0 "[ . 1 . 2]" 1
962 1 130 LYS HA 1 130 LYS HD2 5.500 . 5.500 3.511 1.976 4.651 . 0 0 "[ . 1 . 2]" 1
963 1 130 LYS HA 1 130 LYS HD3 5.500 . 5.500 2.953 1.998 4.210 . 0 0 "[ . 1 . 2]" 1
964 1 130 LYS HA 1 130 LYS HE2 5.500 . 5.500 4.517 3.968 5.044 . 0 0 "[ . 1 . 2]" 1
965 1 130 LYS HA 1 130 LYS HE3 5.500 . 5.500 4.741 3.650 5.404 . 0 0 "[ . 1 . 2]" 1
966 1 130 LYS QB 1 131 ALA H 4.190 . 4.190 2.541 2.255 2.790 . 0 0 "[ . 1 . 2]" 1
967 1 130 LYS HB2 1 130 LYS HE2 5.500 . 5.500 4.798 3.731 5.510 0.010 5 0 "[ . 1 . 2]" 1
968 1 130 LYS HB2 1 130 LYS HE3 5.500 . 5.500 4.575 4.003 4.808 . 0 0 "[ . 1 . 2]" 1
969 1 130 LYS HB2 1 131 ALA H 4.480 . 4.480 3.140 2.418 3.971 . 0 0 "[ . 1 . 2]" 1
970 1 130 LYS HB3 1 130 LYS HE2 5.500 . 5.500 4.671 4.154 5.512 0.012 13 0 "[ . 1 . 2]" 1
971 1 130 LYS HB3 1 130 LYS HE3 5.500 . 5.500 4.522 4.118 5.205 . 0 0 "[ . 1 . 2]" 1
972 1 130 LYS HB3 1 131 ALA H 4.480 . 4.480 2.934 2.288 3.756 . 0 0 "[ . 1 . 2]" 1
973 1 130 LYS QD 1 131 ALA H 5.140 . 5.140 4.353 3.595 5.038 . 0 0 "[ . 1 . 2]" 1
974 1 130 LYS HG2 1 131 ALA H 5.500 . 5.500 4.847 4.259 5.148 . 0 0 "[ . 1 . 2]" 1
975 1 130 LYS HG3 1 131 ALA H 5.500 . 5.500 4.802 3.832 5.241 . 0 0 "[ . 1 . 2]" 1
976 1 131 ALA H 1 132 LYS H 3.730 . 3.730 2.689 2.471 2.830 . 0 0 "[ . 1 . 2]" 1
977 1 131 ALA HA 1 134 ALA H 3.730 . 3.730 3.500 3.099 3.760 0.030 2 0 "[ . 1 . 2]" 1
978 1 131 ALA HA 1 134 ALA MB 4.470 . 4.470 2.833 2.165 3.287 . 0 0 "[ . 1 . 2]" 1
979 1 131 ALA MB 1 134 ALA H 5.840 . 5.840 4.552 4.365 4.693 . 0 0 "[ . 1 . 2]" 1
980 1 132 LYS H 1 132 LYS HG2 5.500 . 5.500 3.230 1.818 4.560 . 0 0 "[ . 1 . 2]" 1
981 1 132 LYS H 1 132 LYS HG3 5.500 . 5.500 3.161 2.324 4.511 . 0 0 "[ . 1 . 2]" 1
982 1 132 LYS H 1 133 SER H 4.200 . 4.200 2.690 2.558 2.844 . 0 0 "[ . 1 . 2]" 1
983 1 132 LYS HA 1 132 LYS HD2 5.500 . 5.500 3.818 2.102 5.483 . 0 0 "[ . 1 . 2]" 1
984 1 132 LYS HA 1 132 LYS HD3 5.500 . 5.500 3.679 1.806 4.947 . 0 0 "[ . 1 . 2]" 1
985 1 132 LYS HA 1 132 LYS HE2 5.500 . 5.500 4.833 3.236 5.756 0.256 18 0 "[ . 1 . 2]" 1
986 1 132 LYS HA 1 132 LYS HE3 5.500 . 5.500 4.548 3.766 5.674 0.174 2 0 "[ . 1 . 2]" 1
987 1 132 LYS HA 1 137 ILE MD 4.880 . 4.880 3.540 2.343 4.728 . 0 0 "[ . 1 . 2]" 1
988 1 132 LYS HA 1 137 ILE MG 5.840 . 5.840 4.404 3.687 5.059 . 0 0 "[ . 1 . 2]" 1
989 1 132 LYS QB 1 137 ILE MD 7.400 . 7.400 3.549 2.107 4.559 . 0 0 "[ . 1 . 2]" 1
990 1 132 LYS QB 1 137 ILE QG 6.920 . 6.920 3.713 2.631 5.279 . 0 0 "[ . 1 . 2]" 1
991 1 132 LYS QB 1 137 ILE MG 7.240 . 7.240 3.084 2.365 4.930 . 0 0 "[ . 1 . 2]" 1
992 1 132 LYS HB2 1 132 LYS HE2 5.500 . 5.500 4.484 2.271 5.504 0.004 16 0 "[ . 1 . 2]" 1
993 1 132 LYS HB2 1 132 LYS HE3 5.500 . 5.500 4.426 1.744 5.483 . 0 0 "[ . 1 . 2]" 1
994 1 132 LYS HB3 1 132 LYS HE2 5.500 . 5.500 4.130 1.941 4.823 . 0 0 "[ . 1 . 2]" 1
995 1 132 LYS HB3 1 132 LYS HE3 5.500 . 5.500 4.286 2.295 5.491 . 0 0 "[ . 1 . 2]" 1
996 1 132 LYS QD 1 137 ILE MD 6.070 . 6.070 3.438 1.630 5.266 . 0 0 "[ . 1 . 2]" 1
997 1 132 LYS HD2 1 137 ILE MD 6.240 . 6.240 4.235 1.635 6.280 0.040 17 0 "[ . 1 . 2]" 1
998 1 132 LYS HD3 1 137 ILE MD 6.240 . 6.240 3.954 1.773 6.071 . 0 0 "[ . 1 . 2]" 1
999 1 132 LYS HE2 1 137 ILE MD 6.400 . 6.400 4.274 2.172 5.783 . 0 0 "[ . 1 . 2]" 1
1000 1 132 LYS HE2 1 137 ILE MG 6.270 . 6.270 4.159 2.143 6.276 0.006 19 0 "[ . 1 . 2]" 1
1001 1 132 LYS HE3 1 137 ILE MD 6.400 . 6.400 4.532 2.762 6.196 . 0 0 "[ . 1 . 2]" 1
1002 1 132 LYS HE3 1 137 ILE MG 6.270 . 6.270 4.738 2.852 6.334 0.064 19 0 "[ . 1 . 2]" 1
1003 1 133 SER H 1 134 ALA H 3.580 . 3.580 2.597 2.457 2.683 . 0 0 "[ . 1 . 2]" 1
1004 1 133 SER QB 1 134 ALA H 4.250 . 4.250 2.834 2.551 3.539 . 0 0 "[ . 1 . 2]" 1
1005 1 133 SER HB2 1 134 ALA H 4.420 . 4.420 3.261 2.597 3.971 . 0 0 "[ . 1 . 2]" 1
1006 1 133 SER HB3 1 134 ALA H 4.420 . 4.420 3.559 2.774 4.229 . 0 0 "[ . 1 . 2]" 1
1007 1 134 ALA H 1 134 ALA MB 3.540 . 3.540 2.247 2.225 2.268 . 0 0 "[ . 1 . 2]" 1
1008 1 134 ALA H 1 135 LEU H 3.610 . 3.610 2.531 2.421 2.731 . 0 0 "[ . 1 . 2]" 1
1009 1 135 LEU H 1 135 LEU HB2 3.950 . 3.950 2.395 2.255 2.483 . 0 0 "[ . 1 . 2]" 1
1010 1 135 LEU H 1 135 LEU QB 3.740 . 3.740 2.362 2.230 2.444 . 0 0 "[ . 1 . 2]" 1
1011 1 135 LEU H 1 135 LEU HB3 3.950 . 3.950 3.604 3.526 3.649 . 0 0 "[ . 1 . 2]" 1
1012 1 135 LEU H 1 135 LEU MD1 5.190 . 5.190 3.769 3.551 3.906 . 0 0 "[ . 1 . 2]" 1
1013 1 135 LEU H 1 135 LEU MD2 5.680 . 5.680 3.362 2.485 3.811 . 0 0 "[ . 1 . 2]" 1
1014 1 135 LEU H 1 135 LEU HG 4.540 . 4.540 3.068 2.544 4.391 . 0 0 "[ . 1 . 2]" 1
1015 1 135 LEU H 1 136 GLY H 3.420 . 3.420 2.290 2.185 2.397 . 0 0 "[ . 1 . 2]" 1
1016 1 135 LEU H 1 136 GLY HA2 4.880 . 4.880 4.634 4.535 4.837 . 0 0 "[ . 1 . 2]" 1
1017 1 135 LEU H 1 136 GLY QA 4.620 . 4.620 4.257 4.185 4.385 . 0 0 "[ . 1 . 2]" 1
1018 1 135 LEU H 1 136 GLY HA3 4.880 . 4.880 4.963 4.912 5.026 0.146 17 0 "[ . 1 . 2]" 1
1019 1 135 LEU HA 1 135 LEU MD2 3.820 . 3.820 2.199 1.947 3.027 . 0 0 "[ . 1 . 2]" 1
1020 1 135 LEU HB2 1 136 GLY H 5.500 . 5.500 3.377 3.148 3.642 . 0 0 "[ . 1 . 2]" 1
1021 1 135 LEU HB3 1 136 GLY H 5.500 . 5.500 4.089 3.926 4.277 . 0 0 "[ . 1 . 2]" 1
1022 1 135 LEU MD2 1 136 GLY H 6.520 . 6.520 4.616 4.251 4.839 . 0 0 "[ . 1 . 2]" 1
1023 1 136 GLY H 1 137 ILE H 3.670 . 3.670 2.308 2.086 2.488 . 0 0 "[ . 1 . 2]" 1
1024 1 137 ILE H 1 137 ILE HB 3.240 . 3.240 2.513 2.339 2.615 . 0 0 "[ . 1 . 2]" 1
1025 1 137 ILE H 1 137 ILE MD 5.650 . 5.650 3.514 2.298 4.422 . 0 0 "[ . 1 . 2]" 1
1026 1 137 ILE H 1 137 ILE HG12 4.630 . 4.630 3.325 2.107 4.521 . 0 0 "[ . 1 . 2]" 1
1027 1 137 ILE H 1 137 ILE QG 4.380 . 4.380 2.578 2.093 3.983 . 0 0 "[ . 1 . 2]" 1
1028 1 137 ILE H 1 137 ILE HG13 4.630 . 4.630 3.106 2.187 4.446 . 0 0 "[ . 1 . 2]" 1
1029 1 137 ILE H 1 138 ARG H 4.570 . 4.570 4.438 4.066 4.614 0.044 3 0 "[ . 1 . 2]" 1
1030 1 137 ILE HB 1 138 ARG H 5.500 . 5.500 4.203 3.806 4.461 . 0 0 "[ . 1 . 2]" 1
1031 1 137 ILE MD 1 138 ARG H 5.530 . 5.530 4.539 3.477 5.549 0.019 20 0 "[ . 1 . 2]" 1
1032 1 137 ILE MG 1 138 ARG H 4.660 . 4.660 2.890 2.165 3.849 . 0 0 "[ . 1 . 2]" 1
1033 1 137 ILE MG 1 138 ARG HA 6.520 . 6.520 3.830 3.383 4.927 . 0 0 "[ . 1 . 2]" 1
1034 1 137 ILE MG 1 138 ARG QB 6.380 . 6.380 3.811 2.355 4.989 . 0 0 "[ . 1 . 2]" 1
1035 1 137 ILE MG 1 138 ARG HD2 6.520 . 6.520 4.790 3.495 5.920 . 0 0 "[ . 1 . 2]" 1
1036 1 137 ILE MG 1 138 ARG HD3 6.520 . 6.520 4.775 2.814 6.535 0.015 20 0 "[ . 1 . 2]" 1
1037 1 137 ILE MG 1 139 ASP H 6.520 . 6.520 4.938 3.855 5.663 . 0 0 "[ . 1 . 2]" 1
1038 1 138 ARG H 1 138 ARG HG2 5.500 . 5.500 4.213 3.108 4.976 . 0 0 "[ . 1 . 2]" 1
1039 1 138 ARG H 1 138 ARG HG3 5.500 . 5.500 3.992 2.942 4.664 . 0 0 "[ . 1 . 2]" 1
1040 1 138 ARG H 1 139 ASP H 5.500 . 5.500 3.892 2.604 4.617 . 0 0 "[ . 1 . 2]" 1
1041 1 138 ARG HA 1 138 ARG HD2 5.500 . 5.500 3.931 1.839 5.507 0.007 12 0 "[ . 1 . 2]" 1
1042 1 138 ARG HA 1 138 ARG HD3 5.500 . 5.500 4.159 2.863 5.076 . 0 0 "[ . 1 . 2]" 1
1043 1 138 ARG HA 1 139 ASP H 3.330 . 3.330 2.522 2.141 2.835 . 0 0 "[ . 1 . 2]" 1
1044 1 138 ARG HB2 1 139 ASP H 4.910 . 4.910 3.653 2.261 4.623 . 0 0 "[ . 1 . 2]" 1
1045 1 138 ARG HB3 1 139 ASP H 4.910 . 4.910 3.334 1.781 4.381 . 0 0 "[ . 1 . 2]" 1
1046 1 138 ARG HG2 1 139 ASP H 5.500 . 5.500 4.221 1.384 5.452 . 0 0 "[ . 1 . 2]" 1
1047 1 138 ARG HG3 1 139 ASP H 5.500 . 5.500 4.043 2.520 5.040 . 0 0 "[ . 1 . 2]" 1
1048 1 139 ASP H 1 139 ASP HB2 3.980 . 3.980 3.257 2.521 3.883 . 0 0 "[ . 1 . 2]" 1
1049 1 139 ASP H 1 139 ASP HB3 3.980 . 3.980 3.041 2.449 4.063 0.083 20 0 "[ . 1 . 2]" 1
1050 1 139 ASP H 1 140 LEU H 5.500 . 5.500 4.261 2.955 4.639 . 0 0 "[ . 1 . 2]" 1
1051 1 139 ASP HA 1 140 LEU H 3.050 . 3.050 2.309 2.086 2.496 . 0 0 "[ . 1 . 2]" 1
1052 1 139 ASP QB 1 140 LEU H 4.100 . 4.100 3.198 2.318 3.857 . 0 0 "[ . 1 . 2]" 1
1053 1 139 ASP HB2 1 140 LEU H 4.320 . 4.320 3.607 2.340 4.486 0.166 20 0 "[ . 1 . 2]" 1
1054 1 139 ASP HB3 1 140 LEU H 4.320 . 4.320 3.877 3.057 4.335 0.015 11 0 "[ . 1 . 2]" 1
1055 1 140 LEU H 1 140 LEU HB2 3.920 . 3.920 2.461 2.346 2.706 . 0 0 "[ . 1 . 2]" 1
1056 1 140 LEU H 1 140 LEU QB 3.720 . 3.720 2.368 2.219 2.479 . 0 0 "[ . 1 . 2]" 1
1057 1 140 LEU H 1 140 LEU HB3 3.920 . 3.920 3.349 2.496 3.658 . 0 0 "[ . 1 . 2]" 1
1058 1 140 LEU H 1 140 LEU HG 4.820 . 4.820 3.324 2.213 4.640 . 0 0 "[ . 1 . 2]" 1
1059 1 140 LEU H 1 141 GLU H 5.500 . 5.500 2.513 1.974 2.921 . 0 0 "[ . 1 . 2]" 1
1060 1 140 LEU HA 1 140 LEU MD1 4.500 . 4.500 3.275 1.846 3.880 . 0 0 "[ . 1 . 2]" 1
1061 1 140 LEU HA 1 140 LEU MD2 4.160 . 4.160 2.534 1.863 3.914 . 0 0 "[ . 1 . 2]" 1
1062 1 140 LEU HA 1 141 GLU H 3.520 . 3.520 3.447 3.033 3.588 0.068 5 0 "[ . 1 . 2]" 1
1063 1 140 LEU HB2 1 141 GLU H 5.070 . 5.070 3.197 1.929 4.225 . 0 0 "[ . 1 . 2]" 1
1064 1 140 LEU HB3 1 141 GLU H 5.070 . 5.070 3.562 1.954 4.390 . 0 0 "[ . 1 . 2]" 1
1065 1 140 LEU MD1 1 141 GLU H 6.520 . 6.520 4.555 3.006 5.537 . 0 0 "[ . 1 . 2]" 1
1066 1 140 LEU MD2 1 141 GLU H 6.520 . 6.520 4.413 3.378 4.839 . 0 0 "[ . 1 . 2]" 1
1067 1 140 LEU HG 1 141 GLU H 5.500 . 5.500 4.695 4.080 5.598 0.098 2 0 "[ . 1 . 2]" 1
1068 1 141 GLU H 1 142 HIS H 5.500 . 5.500 2.409 1.893 2.845 . 0 0 "[ . 1 . 2]" 1
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