NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
522828 |
2lc1   |
17586 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lc1
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 1272
_Distance_constraint_stats_list.Viol_count 2449
_Distance_constraint_stats_list.Viol_total 2722.538
_Distance_constraint_stats_list.Viol_max 0.215
_Distance_constraint_stats_list.Viol_rms 0.0118
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0024
_Distance_constraint_stats_list.Viol_average_violations_only 0.0371
_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 1 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 2 HIS 0.587 0.139 7 0 "[ . 1 . 2 . 3]"
1 3 GLY 0.132 0.046 20 0 "[ . 1 . 2 . 3]"
1 4 SER 0.550 0.145 7 0 "[ . 1 . 2 . 3]"
1 5 ALA 0.550 0.145 7 0 "[ . 1 . 2 . 3]"
1 6 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 7 THR 0.947 0.083 4 0 "[ . 1 . 2 . 3]"
1 8 SER 0.456 0.038 11 0 "[ . 1 . 2 . 3]"
1 9 VAL 2.612 0.115 15 0 "[ . 1 . 2 . 3]"
1 10 THR 1.300 0.070 24 0 "[ . 1 . 2 . 3]"
1 11 LEU 1.718 0.126 1 0 "[ . 1 . 2 . 3]"
1 12 GLN 5.462 0.126 1 0 "[ . 1 . 2 . 3]"
1 13 LEU 4.446 0.126 22 0 "[ . 1 . 2 . 3]"
1 14 ASP 2.145 0.133 6 0 "[ . 1 . 2 . 3]"
1 15 ASP 3.512 0.157 10 0 "[ . 1 . 2 . 3]"
1 16 GLY 0.309 0.112 27 0 "[ . 1 . 2 . 3]"
1 17 SER 1.060 0.157 10 0 "[ . 1 . 2 . 3]"
1 18 GLY 0.402 0.073 27 0 "[ . 1 . 2 . 3]"
1 19 ARG 4.142 0.131 18 0 "[ . 1 . 2 . 3]"
1 20 THR 3.936 0.131 18 0 "[ . 1 . 2 . 3]"
1 21 TYR 1.455 0.130 6 0 "[ . 1 . 2 . 3]"
1 22 GLN 0.621 0.091 15 0 "[ . 1 . 2 . 3]"
1 23 LEU 2.540 0.115 15 0 "[ . 1 . 2 . 3]"
1 24 ARG 1.080 0.109 24 0 "[ . 1 . 2 . 3]"
1 25 GLU 1.031 0.109 24 0 "[ . 1 . 2 . 3]"
1 26 GLY 0.486 0.073 25 0 "[ . 1 . 2 . 3]"
1 27 SER 4.723 0.134 23 0 "[ . 1 . 2 . 3]"
1 28 ASN 1.945 0.084 10 0 "[ . 1 . 2 . 3]"
1 29 ILE 0.221 0.041 13 0 "[ . 1 . 2 . 3]"
1 30 ILE 2.232 0.109 25 0 "[ . 1 . 2 . 3]"
1 31 GLY 1.711 0.147 13 0 "[ . 1 . 2 . 3]"
1 32 ARG 2.419 0.147 13 0 "[ . 1 . 2 . 3]"
1 33 GLY 1.196 0.152 2 0 "[ . 1 . 2 . 3]"
1 34 GLN 0.046 0.019 1 0 "[ . 1 . 2 . 3]"
1 35 ASP 0.047 0.022 21 0 "[ . 1 . 2 . 3]"
1 36 ALA 0.813 0.054 2 0 "[ . 1 . 2 . 3]"
1 37 GLN 1.600 0.097 10 0 "[ . 1 . 2 . 3]"
1 38 PHE 4.605 0.109 25 0 "[ . 1 . 2 . 3]"
1 39 ARG 1.164 0.119 3 0 "[ . 1 . 2 . 3]"
1 40 LEU 1.643 0.135 28 0 "[ . 1 . 2 . 3]"
1 41 PRO 2.263 0.135 28 0 "[ . 1 . 2 . 3]"
1 42 ASP 1.687 0.115 2 0 "[ . 1 . 2 . 3]"
1 43 THR 1.875 0.115 2 0 "[ . 1 . 2 . 3]"
1 44 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 45 VAL 1.805 0.085 24 0 "[ . 1 . 2 . 3]"
1 46 SER 0.210 0.043 16 0 "[ . 1 . 2 . 3]"
1 47 ARG 1.378 0.152 2 0 "[ . 1 . 2 . 3]"
1 48 ARG 1.488 0.182 14 0 "[ . 1 . 2 . 3]"
1 49 HIS 3.703 0.135 20 0 "[ . 1 . 2 . 3]"
1 50 LEU 1.769 0.057 28 0 "[ . 1 . 2 . 3]"
1 51 GLU 3.085 0.079 8 0 "[ . 1 . 2 . 3]"
1 52 ILE 2.794 0.134 23 0 "[ . 1 . 2 . 3]"
1 53 ARG 0.760 0.092 26 0 "[ . 1 . 2 . 3]"
1 54 TRP 7.480 0.127 17 0 "[ . 1 . 2 . 3]"
1 55 ASP 0.042 0.015 11 0 "[ . 1 . 2 . 3]"
1 56 GLY 0.892 0.093 11 0 "[ . 1 . 2 . 3]"
1 57 GLN 0.255 0.088 28 0 "[ . 1 . 2 . 3]"
1 58 VAL 0.069 0.015 11 0 "[ . 1 . 2 . 3]"
1 59 ALA 0.112 0.112 12 0 "[ . 1 . 2 . 3]"
1 60 LEU 3.407 0.164 12 0 "[ . 1 . 2 . 3]"
1 61 LEU 2.092 0.164 12 0 "[ . 1 . 2 . 3]"
1 62 ALA 0.164 0.044 2 0 "[ . 1 . 2 . 3]"
1 63 ASP 0.919 0.169 24 0 "[ . 1 . 2 . 3]"
1 64 LEU 4.843 0.182 14 0 "[ . 1 . 2 . 3]"
1 65 ASN 0.003 0.003 19 0 "[ . 1 . 2 . 3]"
1 66 SER 0.062 0.050 21 0 "[ . 1 . 2 . 3]"
1 67 THR 0.893 0.142 15 0 "[ . 1 . 2 . 3]"
1 68 ASN 0.857 0.142 15 0 "[ . 1 . 2 . 3]"
1 69 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 70 THR 0.887 0.169 24 0 "[ . 1 . 2 . 3]"
1 71 THR 5.067 0.123 15 0 "[ . 1 . 2 . 3]"
1 72 VAL 9.613 0.208 11 0 "[ . 1 . 2 . 3]"
1 73 ASN 3.403 0.096 7 0 "[ . 1 . 2 . 3]"
1 74 ASN 2.619 0.101 14 0 "[ . 1 . 2 . 3]"
1 75 ALA 0.240 0.084 21 0 "[ . 1 . 2 . 3]"
1 76 PRO 0.508 0.054 30 0 "[ . 1 . 2 . 3]"
1 77 VAL 0.611 0.059 4 0 "[ . 1 . 2 . 3]"
1 78 GLN 0.483 0.087 25 0 "[ . 1 . 2 . 3]"
1 79 GLU 0.159 0.042 9 0 "[ . 1 . 2 . 3]"
1 80 TRP 5.530 0.215 23 0 "[ . 1 . 2 . 3]"
1 81 GLN 1.911 0.215 23 0 "[ . 1 . 2 . 3]"
1 82 LEU 4.272 0.164 27 0 "[ . 1 . 2 . 3]"
1 83 ALA 0.371 0.050 14 0 "[ . 1 . 2 . 3]"
1 84 ASP 0.060 0.027 14 0 "[ . 1 . 2 . 3]"
1 85 GLY 0.275 0.093 1 0 "[ . 1 . 2 . 3]"
1 86 ASP 1.963 0.208 11 0 "[ . 1 . 2 . 3]"
1 87 VAL 3.254 0.096 7 0 "[ . 1 . 2 . 3]"
1 88 ILE 3.461 0.164 27 0 "[ . 1 . 2 . 3]"
1 89 ARG 1.400 0.114 16 0 "[ . 1 . 2 . 3]"
1 90 LEU 0.976 0.079 19 0 "[ . 1 . 2 . 3]"
1 91 GLY 0.047 0.038 12 0 "[ . 1 . 2 . 3]"
1 92 HIS 0.263 0.054 17 0 "[ . 1 . 2 . 3]"
1 93 SER 1.100 0.141 4 0 "[ . 1 . 2 . 3]"
1 94 GLU 1.169 0.141 4 0 "[ . 1 . 2 . 3]"
1 95 ILE 0.706 0.118 6 0 "[ . 1 . 2 . 3]"
1 96 ILE 1.342 0.122 18 0 "[ . 1 . 2 . 3]"
1 97 VAL 3.477 0.083 2 0 "[ . 1 . 2 . 3]"
1 98 ARG 3.235 0.109 30 0 "[ . 1 . 2 . 3]"
1 99 MET 2.140 0.109 30 0 "[ . 1 . 2 . 3]"
1 100 HIS 0.506 0.050 5 0 "[ . 1 . 2 . 3]"
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 1 GLY QA 1 2 HIS H 3.100 . 3.100 2.222 2.077 2.372 . 0 0 "[ . 1 . 2 . 3]" 1
2 1 2 HIS QB 1 3 GLY H 4.090 . 4.090 3.014 2.040 4.011 . 0 0 "[ . 1 . 2 . 3]" 1
3 1 2 HIS HB3 1 3 GLY H 4.720 . 4.720 3.653 2.061 4.566 . 0 0 "[ . 1 . 2 . 3]" 1
4 1 2 HIS HB2 1 3 GLY H 4.720 . 4.720 3.559 2.131 4.603 . 0 0 "[ . 1 . 2 . 3]" 1
5 1 2 HIS H 1 2 HIS QB 3.460 . 3.460 2.751 2.183 3.385 . 0 0 "[ . 1 . 2 . 3]" 1
6 1 2 HIS H 1 2 HIS HB3 3.990 . 3.990 3.402 2.553 4.055 0.065 21 0 "[ . 1 . 2 . 3]" 1
7 1 2 HIS H 1 2 HIS HB2 3.990 . 3.990 3.153 2.356 3.998 0.008 6 0 "[ . 1 . 2 . 3]" 1
8 1 2 HIS H 1 2 HIS HD2 4.520 . 4.520 3.514 2.160 4.659 0.139 7 0 "[ . 1 . 2 . 3]" 1
9 1 2 HIS H 1 3 GLY H 4.450 . 4.450 3.908 1.902 4.496 0.046 20 0 "[ . 1 . 2 . 3]" 1
10 1 4 SER QB 1 5 ALA MB 4.440 . 4.440 4.146 3.342 4.585 0.145 7 0 "[ . 1 . 2 . 3]" 1
11 1 4 SER QB 1 5 ALA H 4.370 . 4.370 3.108 2.078 3.859 . 0 0 "[ . 1 . 2 . 3]" 1
12 1 5 ALA HA 1 6 GLY H 3.510 . 3.510 2.490 2.118 3.469 . 0 0 "[ . 1 . 2 . 3]" 1
13 1 5 ALA MB 1 6 GLY H 4.180 . 4.180 3.156 2.052 3.643 . 0 0 "[ . 1 . 2 . 3]" 1
14 1 6 GLY QA 1 7 THR H 2.950 . 2.950 2.451 2.134 2.884 . 0 0 "[ . 1 . 2 . 3]" 1
15 1 7 THR HA 1 8 SER H 2.940 . 2.940 2.153 2.104 2.288 . 0 0 "[ . 1 . 2 . 3]" 1
16 1 7 THR HB 1 8 SER H 4.360 . 4.360 4.275 4.101 4.372 0.012 6 0 "[ . 1 . 2 . 3]" 1
17 1 7 THR HB 1 54 TRP HH2 4.220 . 4.220 2.883 2.013 4.223 0.003 14 0 "[ . 1 . 2 . 3]" 1
18 1 7 THR HB 1 54 TRP HZ2 3.910 . 3.910 3.113 2.268 3.940 0.030 4 0 "[ . 1 . 2 . 3]" 1
19 1 7 THR MG 1 8 SER H 3.640 . 3.640 2.973 2.645 3.150 . 0 0 "[ . 1 . 2 . 3]" 1
20 1 7 THR MG 1 9 VAL H 4.750 . 4.750 3.993 3.494 4.634 . 0 0 "[ . 1 . 2 . 3]" 1
21 1 7 THR MG 1 54 TRP HE1 5.500 . 5.500 5.495 5.190 5.583 0.083 4 0 "[ . 1 . 2 . 3]" 1
22 1 7 THR MG 1 54 TRP HZ2 4.140 . 4.140 3.354 3.033 3.700 . 0 0 "[ . 1 . 2 . 3]" 1
23 1 7 THR MG 1 99 MET HG2 4.560 . 4.560 3.550 2.713 4.574 0.014 29 0 "[ . 1 . 2 . 3]" 1
24 1 7 THR MG 1 100 HIS H 4.660 . 4.660 3.799 2.779 4.678 0.018 4 0 "[ . 1 . 2 . 3]" 1
25 1 7 THR H 1 7 THR HB 3.520 . 3.520 2.661 2.381 2.918 . 0 0 "[ . 1 . 2 . 3]" 1
26 1 7 THR H 1 7 THR MG 4.240 . 4.240 3.808 3.601 3.951 . 0 0 "[ . 1 . 2 . 3]" 1
27 1 7 THR H 1 8 SER H 4.620 . 4.620 4.170 3.850 4.472 . 0 0 "[ . 1 . 2 . 3]" 1
28 1 8 SER HA 1 9 VAL H 2.750 . 2.750 2.188 2.073 2.326 . 0 0 "[ . 1 . 2 . 3]" 1
29 1 8 SER HA 1 100 HIS HB2 5.500 . 5.500 4.799 4.239 5.302 . 0 0 "[ . 1 . 2 . 3]" 1
30 1 8 SER QB 1 9 VAL H 3.440 . 3.440 3.283 2.862 3.458 0.018 7 0 "[ . 1 . 2 . 3]" 1
31 1 8 SER HB3 1 9 VAL H 4.220 . 4.220 3.566 2.948 4.224 0.004 19 0 "[ . 1 . 2 . 3]" 1
32 1 8 SER HB2 1 9 VAL H 4.220 . 4.220 4.055 2.963 4.258 0.038 11 0 "[ . 1 . 2 . 3]" 1
33 1 8 SER H 1 8 SER QB 3.640 . 3.640 2.628 2.453 3.237 . 0 0 "[ . 1 . 2 . 3]" 1
34 1 8 SER H 1 9 VAL H 4.430 . 4.430 4.277 4.164 4.436 0.006 15 0 "[ . 1 . 2 . 3]" 1
35 1 8 SER H 1 100 HIS H 3.740 . 3.740 2.939 2.417 3.175 . 0 0 "[ . 1 . 2 . 3]" 1
36 1 9 VAL HA 1 9 VAL QG 3.130 . 3.130 2.240 2.112 2.403 . 0 0 "[ . 1 . 2 . 3]" 1
37 1 9 VAL HA 1 10 THR H 2.730 . 2.730 2.070 2.001 2.132 . 0 0 "[ . 1 . 2 . 3]" 1
38 1 9 VAL HA 1 97 VAL MG1 5.300 . 5.300 4.095 3.836 4.319 . 0 0 "[ . 1 . 2 . 3]" 1
39 1 9 VAL HA 1 98 ARG HA 5.500 . 5.500 5.521 5.426 5.580 0.080 27 0 "[ . 1 . 2 . 3]" 1
40 1 9 VAL HA 1 98 ARG H 4.730 . 4.730 4.625 4.430 4.745 0.015 12 0 "[ . 1 . 2 . 3]" 1
41 1 9 VAL HA 1 99 MET HA 3.350 . 3.350 2.309 2.184 2.548 . 0 0 "[ . 1 . 2 . 3]" 1
42 1 9 VAL HA 1 100 HIS HD2 4.790 . 4.790 3.823 2.765 4.706 . 0 0 "[ . 1 . 2 . 3]" 1
43 1 9 VAL HB 1 10 THR H 4.580 . 4.580 4.124 3.980 4.263 . 0 0 "[ . 1 . 2 . 3]" 1
44 1 9 VAL HB 1 54 TRP HE3 5.500 . 5.500 4.985 4.373 5.476 . 0 0 "[ . 1 . 2 . 3]" 1
45 1 9 VAL QG 1 10 THR H 3.130 . 3.130 2.732 2.484 2.980 . 0 0 "[ . 1 . 2 . 3]" 1
46 1 9 VAL QG 1 23 LEU HB2 4.980 . 4.980 2.728 1.783 3.635 0.017 15 0 "[ . 1 . 2 . 3]" 1
47 1 9 VAL QG 1 23 LEU MD1 3.880 . 3.880 1.929 1.784 2.162 0.016 20 0 "[ . 1 . 2 . 3]" 1
48 1 9 VAL QG 1 54 TRP HE1 5.440 . 5.440 4.062 3.512 4.980 . 0 0 "[ . 1 . 2 . 3]" 1
49 1 9 VAL QG 1 54 TRP HE3 5.220 . 5.220 3.204 2.820 3.467 . 0 0 "[ . 1 . 2 . 3]" 1
50 1 9 VAL QG 1 54 TRP HH2 4.730 . 4.730 3.358 2.825 4.078 . 0 0 "[ . 1 . 2 . 3]" 1
51 1 9 VAL QG 1 54 TRP HZ2 4.660 . 4.660 3.422 2.951 3.929 . 0 0 "[ . 1 . 2 . 3]" 1
52 1 9 VAL QG 1 54 TRP HZ3 4.720 . 4.720 3.206 2.662 3.751 . 0 0 "[ . 1 . 2 . 3]" 1
53 1 9 VAL QG 1 59 ALA MB 3.810 . 3.810 2.270 1.950 2.734 . 0 0 "[ . 1 . 2 . 3]" 1
54 1 9 VAL QG 1 97 VAL HA 5.000 . 5.000 3.867 3.488 4.266 . 0 0 "[ . 1 . 2 . 3]" 1
55 1 9 VAL QG 1 98 ARG H 4.100 . 4.100 3.546 3.182 3.838 . 0 0 "[ . 1 . 2 . 3]" 1
56 1 9 VAL QG 1 99 MET HA 4.000 . 4.000 3.213 2.807 3.501 . 0 0 "[ . 1 . 2 . 3]" 1
57 1 9 VAL QG 1 99 MET HB3 5.440 . 5.440 3.786 3.040 4.554 . 0 0 "[ . 1 . 2 . 3]" 1
58 1 9 VAL QG 1 99 MET HG2 3.530 . 3.530 2.159 1.813 2.815 . 0 0 "[ . 1 . 2 . 3]" 1
59 1 9 VAL MG1 1 10 THR H 4.250 . 4.250 3.326 2.508 4.133 . 0 0 "[ . 1 . 2 . 3]" 1
60 1 9 VAL MG1 1 99 MET HA 4.820 . 4.820 4.063 3.228 4.860 0.040 13 0 "[ . 1 . 2 . 3]" 1
61 1 9 VAL MG1 1 99 MET HG2 4.050 . 4.050 3.068 2.050 4.083 0.033 6 0 "[ . 1 . 2 . 3]" 1
62 1 9 VAL MG2 1 10 THR H 4.250 . 4.250 3.557 2.583 4.219 . 0 0 "[ . 1 . 2 . 3]" 1
63 1 9 VAL MG2 1 99 MET HA 4.820 . 4.820 3.431 3.086 3.795 . 0 0 "[ . 1 . 2 . 3]" 1
64 1 9 VAL MG2 1 99 MET HG2 4.050 . 4.050 2.238 1.947 2.878 . 0 0 "[ . 1 . 2 . 3]" 1
65 1 9 VAL H 1 9 VAL HB 3.330 . 3.330 2.806 2.541 3.355 0.025 15 0 "[ . 1 . 2 . 3]" 1
66 1 9 VAL H 1 9 VAL QG 3.400 . 3.400 2.219 1.936 2.707 . 0 0 "[ . 1 . 2 . 3]" 1
67 1 9 VAL H 1 9 VAL MG1 4.260 . 4.260 3.108 1.941 3.864 . 0 0 "[ . 1 . 2 . 3]" 1
68 1 9 VAL H 1 9 VAL MG2 4.260 . 4.260 2.951 2.241 3.849 . 0 0 "[ . 1 . 2 . 3]" 1
69 1 9 VAL H 1 10 THR H 4.700 . 4.700 4.298 3.972 4.458 . 0 0 "[ . 1 . 2 . 3]" 1
70 1 9 VAL H 1 22 GLN QE 4.460 . 4.460 4.142 2.641 4.551 0.091 15 0 "[ . 1 . 2 . 3]" 1
71 1 9 VAL H 1 22 GLN QG 4.210 . 4.210 3.328 2.808 4.018 . 0 0 "[ . 1 . 2 . 3]" 1
72 1 9 VAL H 1 22 GLN HG3 5.010 . 5.010 3.563 2.901 5.018 0.008 9 0 "[ . 1 . 2 . 3]" 1
73 1 9 VAL H 1 22 GLN HG2 5.010 . 5.010 4.122 3.429 4.944 . 0 0 "[ . 1 . 2 . 3]" 1
74 1 9 VAL H 1 23 LEU HB3 5.500 . 5.500 5.450 4.799 5.615 0.115 15 0 "[ . 1 . 2 . 3]" 1
75 1 9 VAL H 1 23 LEU MD1 4.740 . 4.740 4.468 4.012 4.742 0.002 15 0 "[ . 1 . 2 . 3]" 1
76 1 9 VAL H 1 23 LEU H 4.250 . 4.250 3.986 3.450 4.265 0.015 27 0 "[ . 1 . 2 . 3]" 1
77 1 10 THR HA 1 10 THR MG 3.330 . 3.330 2.344 2.290 2.388 . 0 0 "[ . 1 . 2 . 3]" 1
78 1 10 THR HA 1 11 LEU HG 4.760 . 4.760 3.943 3.350 4.767 0.007 9 0 "[ . 1 . 2 . 3]" 1
79 1 10 THR HA 1 11 LEU H 2.760 . 2.760 2.135 2.068 2.206 . 0 0 "[ . 1 . 2 . 3]" 1
80 1 10 THR HA 1 21 TYR H 4.410 . 4.410 4.227 3.876 4.448 0.038 6 0 "[ . 1 . 2 . 3]" 1
81 1 10 THR HA 1 23 LEU HG 5.130 . 5.130 3.936 3.110 4.647 . 0 0 "[ . 1 . 2 . 3]" 1
82 1 10 THR HB 1 11 LEU H 4.300 . 4.300 4.116 3.974 4.241 . 0 0 "[ . 1 . 2 . 3]" 1
83 1 10 THR HB 1 98 ARG HB2 4.020 . 4.020 2.764 2.044 3.469 . 0 0 "[ . 1 . 2 . 3]" 1
84 1 10 THR HB 1 98 ARG H 4.440 . 4.440 3.952 3.620 4.268 . 0 0 "[ . 1 . 2 . 3]" 1
85 1 10 THR HB 1 100 HIS HD2 4.720 . 4.720 3.006 2.204 3.691 . 0 0 "[ . 1 . 2 . 3]" 1
86 1 10 THR MG 1 11 LEU HA 4.770 . 4.770 4.016 3.785 4.142 . 0 0 "[ . 1 . 2 . 3]" 1
87 1 10 THR MG 1 11 LEU H 3.360 . 3.360 2.737 2.496 2.963 . 0 0 "[ . 1 . 2 . 3]" 1
88 1 10 THR MG 1 12 GLN H 5.200 . 5.200 4.500 4.147 4.834 . 0 0 "[ . 1 . 2 . 3]" 1
89 1 10 THR MG 1 20 THR HA 4.330 . 4.330 3.321 3.074 3.896 . 0 0 "[ . 1 . 2 . 3]" 1
90 1 10 THR MG 1 20 THR HB 3.340 . 3.340 2.051 1.790 2.548 0.010 27 0 "[ . 1 . 2 . 3]" 1
91 1 10 THR MG 1 21 TYR H 3.520 . 3.520 2.794 2.377 3.360 . 0 0 "[ . 1 . 2 . 3]" 1
92 1 10 THR MG 1 22 GLN HA 4.330 . 4.330 2.842 2.266 3.481 . 0 0 "[ . 1 . 2 . 3]" 1
93 1 10 THR MG 1 22 GLN QG 5.080 . 5.080 3.811 3.342 4.368 . 0 0 "[ . 1 . 2 . 3]" 1
94 1 10 THR MG 1 22 GLN H 4.540 . 4.540 3.566 3.015 4.490 . 0 0 "[ . 1 . 2 . 3]" 1
95 1 10 THR MG 1 98 ARG HB2 5.500 . 5.500 3.922 3.432 4.502 . 0 0 "[ . 1 . 2 . 3]" 1
96 1 10 THR MG 1 100 HIS HD2 5.140 . 5.140 4.184 3.654 4.633 . 0 0 "[ . 1 . 2 . 3]" 1
97 1 10 THR H 1 10 THR HB 3.330 . 3.330 2.634 2.508 2.754 . 0 0 "[ . 1 . 2 . 3]" 1
98 1 10 THR H 1 10 THR MG 4.370 . 4.370 3.834 3.770 3.893 . 0 0 "[ . 1 . 2 . 3]" 1
99 1 10 THR H 1 97 VAL MG1 4.620 . 4.620 3.891 3.648 4.187 . 0 0 "[ . 1 . 2 . 3]" 1
100 1 10 THR H 1 97 VAL MG2 5.420 . 5.420 5.458 5.373 5.490 0.070 24 0 "[ . 1 . 2 . 3]" 1
101 1 10 THR H 1 98 ARG HB2 4.340 . 4.340 3.522 2.983 4.254 . 0 0 "[ . 1 . 2 . 3]" 1
102 1 10 THR H 1 98 ARG H 4.000 . 4.000 3.175 3.003 3.343 . 0 0 "[ . 1 . 2 . 3]" 1
103 1 10 THR H 1 99 MET HA 3.910 . 3.910 3.237 3.014 3.429 . 0 0 "[ . 1 . 2 . 3]" 1
104 1 10 THR H 1 99 MET HG2 4.710 . 4.710 4.327 3.924 4.663 . 0 0 "[ . 1 . 2 . 3]" 1
105 1 10 THR H 1 100 HIS HD2 4.260 . 4.260 3.349 2.832 4.127 . 0 0 "[ . 1 . 2 . 3]" 1
106 1 11 LEU HA 1 11 LEU QD 3.730 . 3.730 3.048 2.090 3.462 . 0 0 "[ . 1 . 2 . 3]" 1
107 1 11 LEU HA 1 12 GLN H 2.870 . 2.870 2.106 2.011 2.248 . 0 0 "[ . 1 . 2 . 3]" 1
108 1 11 LEU HA 1 95 ILE QG 5.280 . 5.280 3.355 2.866 4.865 . 0 0 "[ . 1 . 2 . 3]" 1
109 1 11 LEU QB 1 11 LEU QD 2.820 . 2.820 1.920 1.876 1.951 . 0 0 "[ . 1 . 2 . 3]" 1
110 1 11 LEU QB 1 21 TYR H 4.610 . 4.610 3.880 2.464 4.594 . 0 0 "[ . 1 . 2 . 3]" 1
111 1 11 LEU QD 1 21 TYR QB 3.740 . 3.740 2.117 1.829 2.636 . 0 0 "[ . 1 . 2 . 3]" 1
112 1 11 LEU HG 1 12 GLN H 4.950 . 4.950 4.969 4.615 5.076 0.126 1 0 "[ . 1 . 2 . 3]" 1
113 1 11 LEU HG 1 21 TYR QB 3.700 . 3.700 2.730 2.032 3.716 0.016 1 0 "[ . 1 . 2 . 3]" 1
114 1 11 LEU HG 1 21 TYR QD 4.170 . 4.170 2.956 2.137 3.760 . 0 0 "[ . 1 . 2 . 3]" 1
115 1 11 LEU HG 1 21 TYR H 4.200 . 4.200 3.444 2.647 4.265 0.065 16 0 "[ . 1 . 2 . 3]" 1
116 1 11 LEU H 1 11 LEU QB 3.300 . 3.300 2.724 2.396 3.015 . 0 0 "[ . 1 . 2 . 3]" 1
117 1 11 LEU H 1 11 LEU HB3 3.810 . 3.810 3.144 2.799 3.620 . 0 0 "[ . 1 . 2 . 3]" 1
118 1 11 LEU H 1 11 LEU HB2 3.810 . 3.810 3.324 2.436 3.707 . 0 0 "[ . 1 . 2 . 3]" 1
119 1 11 LEU H 1 11 LEU QD 3.510 . 3.510 2.951 1.793 3.104 0.007 9 0 "[ . 1 . 2 . 3]" 1
120 1 11 LEU H 1 11 LEU MD1 4.060 . 4.060 3.458 2.979 4.002 . 0 0 "[ . 1 . 2 . 3]" 1
121 1 11 LEU H 1 11 LEU MD2 4.060 . 4.060 3.334 1.795 3.618 0.005 9 0 "[ . 1 . 2 . 3]" 1
122 1 11 LEU H 1 11 LEU HG 3.730 . 3.730 2.190 1.945 2.717 . 0 0 "[ . 1 . 2 . 3]" 1
123 1 11 LEU H 1 21 TYR QB 4.360 . 4.360 3.681 3.325 3.895 . 0 0 "[ . 1 . 2 . 3]" 1
124 1 11 LEU H 1 21 TYR QD 4.660 . 4.660 4.254 3.713 4.613 . 0 0 "[ . 1 . 2 . 3]" 1
125 1 11 LEU H 1 21 TYR H 3.590 . 3.590 2.900 2.592 3.202 . 0 0 "[ . 1 . 2 . 3]" 1
126 1 11 LEU H 1 22 GLN H 5.500 . 5.500 4.770 4.449 5.014 . 0 0 "[ . 1 . 2 . 3]" 1
127 1 11 LEU H 1 23 LEU H 4.930 . 4.930 4.171 3.903 4.540 . 0 0 "[ . 1 . 2 . 3]" 1
128 1 12 GLN HA 1 13 LEU QB 5.090 . 5.090 4.007 3.776 4.471 . 0 0 "[ . 1 . 2 . 3]" 1
129 1 12 GLN HA 1 13 LEU H 3.430 . 3.430 2.125 1.998 2.235 . 0 0 "[ . 1 . 2 . 3]" 1
130 1 12 GLN HA 1 20 THR HA 5.070 . 5.070 2.529 2.196 2.875 . 0 0 "[ . 1 . 2 . 3]" 1
131 1 12 GLN HA 1 20 THR HB 4.210 . 4.210 4.145 3.828 4.255 0.045 6 0 "[ . 1 . 2 . 3]" 1
132 1 12 GLN HA 1 20 THR MG 3.460 . 3.460 2.346 2.077 2.743 . 0 0 "[ . 1 . 2 . 3]" 1
133 1 12 GLN QB 1 12 GLN QE 3.560 . 3.560 2.765 1.763 3.652 0.092 11 0 "[ . 1 . 2 . 3]" 1
134 1 12 GLN QB 1 20 THR HB 5.300 . 5.300 5.004 4.522 5.390 0.090 20 0 "[ . 1 . 2 . 3]" 1
135 1 12 GLN QB 1 20 THR MG 4.610 . 4.610 2.964 2.444 3.410 . 0 0 "[ . 1 . 2 . 3]" 1
136 1 12 GLN QB 1 96 ILE HB 3.750 . 3.750 2.163 1.893 2.666 . 0 0 "[ . 1 . 2 . 3]" 1
137 1 12 GLN QB 1 96 ILE H 3.750 . 3.750 2.993 2.507 3.346 . 0 0 "[ . 1 . 2 . 3]" 1
138 1 12 GLN HB3 1 96 ILE H 4.460 . 4.460 3.262 2.744 4.465 0.005 25 0 "[ . 1 . 2 . 3]" 1
139 1 12 GLN HB2 1 96 ILE H 4.460 . 4.460 4.196 2.535 4.582 0.122 18 0 "[ . 1 . 2 . 3]" 1
140 1 12 GLN QE 1 13 LEU H 4.590 . 4.590 4.373 2.402 4.710 0.120 1 0 "[ . 1 . 2 . 3]" 1
141 1 12 GLN QE 1 20 THR MG 4.800 . 4.800 3.967 2.311 4.859 0.059 5 0 "[ . 1 . 2 . 3]" 1
142 1 12 GLN QG 1 13 LEU H 3.960 . 3.960 3.408 2.547 4.076 0.116 24 0 "[ . 1 . 2 . 3]" 1
143 1 12 GLN QG 1 20 THR HA 4.490 . 4.490 4.009 3.154 4.502 0.012 30 0 "[ . 1 . 2 . 3]" 1
144 1 12 GLN H 1 12 GLN QB 3.020 . 3.020 2.387 2.252 2.566 . 0 0 "[ . 1 . 2 . 3]" 1
145 1 12 GLN H 1 12 GLN HB3 3.560 . 3.560 2.812 2.436 3.633 0.073 20 0 "[ . 1 . 2 . 3]" 1
146 1 12 GLN H 1 12 GLN HB2 3.560 . 3.560 2.680 2.400 3.028 . 0 0 "[ . 1 . 2 . 3]" 1
147 1 12 GLN H 1 12 GLN QG 4.560 . 4.560 3.853 2.549 4.191 . 0 0 "[ . 1 . 2 . 3]" 1
148 1 12 GLN H 1 12 GLN HG3 5.270 . 5.270 4.361 2.595 4.806 . 0 0 "[ . 1 . 2 . 3]" 1
149 1 12 GLN H 1 12 GLN HG2 5.270 . 5.270 4.382 3.734 4.616 . 0 0 "[ . 1 . 2 . 3]" 1
150 1 12 GLN H 1 13 LEU H 4.470 . 4.470 4.274 4.097 4.378 . 0 0 "[ . 1 . 2 . 3]" 1
151 1 12 GLN H 1 20 THR MG 4.830 . 4.830 4.410 4.066 4.830 . 0 0 "[ . 1 . 2 . 3]" 1
152 1 12 GLN H 1 95 ILE MD 3.210 . 3.210 3.121 2.422 3.276 0.066 20 0 "[ . 1 . 2 . 3]" 1
153 1 12 GLN H 1 95 ILE HG12 4.550 . 4.550 3.796 2.382 4.643 0.093 6 0 "[ . 1 . 2 . 3]" 1
154 1 12 GLN H 1 96 ILE HB 4.250 . 4.250 3.582 3.092 4.067 . 0 0 "[ . 1 . 2 . 3]" 1
155 1 12 GLN H 1 97 VAL HA 4.140 . 4.140 3.499 3.237 3.738 . 0 0 "[ . 1 . 2 . 3]" 1
156 1 12 GLN H 1 98 ARG HB2 5.260 . 5.260 4.988 4.366 5.313 0.053 6 0 "[ . 1 . 2 . 3]" 1
157 1 12 GLN H 1 98 ARG H 4.780 . 4.780 4.111 3.820 4.481 . 0 0 "[ . 1 . 2 . 3]" 1
158 1 13 LEU HA 1 13 LEU HG 3.870 . 3.870 3.176 2.980 3.678 . 0 0 "[ . 1 . 2 . 3]" 1
159 1 13 LEU HA 1 14 ASP H 2.950 . 2.950 2.199 2.121 2.351 . 0 0 "[ . 1 . 2 . 3]" 1
160 1 13 LEU QB 1 14 ASP H 4.240 . 4.240 3.720 2.694 3.934 . 0 0 "[ . 1 . 2 . 3]" 1
161 1 13 LEU QB 1 19 ARG HB2 4.580 . 4.580 2.685 1.940 4.480 . 0 0 "[ . 1 . 2 . 3]" 1
162 1 13 LEU QD 1 14 ASP H 3.320 . 3.320 2.620 2.204 3.209 . 0 0 "[ . 1 . 2 . 3]" 1
163 1 13 LEU QD 1 15 ASP H 3.860 . 3.860 3.811 2.905 3.986 0.126 22 0 "[ . 1 . 2 . 3]" 1
164 1 13 LEU QD 1 19 ARG HB2 3.510 . 3.510 2.902 2.103 3.540 0.030 12 0 "[ . 1 . 2 . 3]" 1
165 1 13 LEU QD 1 19 ARG H 4.910 . 4.910 4.036 3.052 4.570 . 0 0 "[ . 1 . 2 . 3]" 1
166 1 13 LEU HG 1 14 ASP H 4.210 . 4.210 3.371 2.789 4.302 0.092 28 0 "[ . 1 . 2 . 3]" 1
167 1 13 LEU HG 1 15 ASP H 4.600 . 4.600 3.476 3.223 4.626 0.026 18 0 "[ . 1 . 2 . 3]" 1
168 1 13 LEU HG 1 19 ARG H 4.700 . 4.700 4.024 2.844 4.584 . 0 0 "[ . 1 . 2 . 3]" 1
169 1 13 LEU H 1 13 LEU QD 4.480 . 4.480 3.799 3.128 3.948 . 0 0 "[ . 1 . 2 . 3]" 1
170 1 13 LEU H 1 13 LEU HG 4.190 . 4.190 4.067 2.398 4.282 0.092 4 0 "[ . 1 . 2 . 3]" 1
171 1 13 LEU H 1 14 ASP H 4.720 . 4.720 4.270 3.976 4.464 . 0 0 "[ . 1 . 2 . 3]" 1
172 1 13 LEU H 1 19 ARG H 4.110 . 4.110 3.272 2.927 3.768 . 0 0 "[ . 1 . 2 . 3]" 1
173 1 13 LEU H 1 20 THR HA 3.960 . 3.960 3.282 2.861 3.806 . 0 0 "[ . 1 . 2 . 3]" 1
174 1 13 LEU H 1 20 THR MG 4.230 . 4.230 3.591 3.161 4.020 . 0 0 "[ . 1 . 2 . 3]" 1
175 1 14 ASP HA 1 15 ASP H 3.100 . 3.100 2.027 1.903 2.190 . 0 0 "[ . 1 . 2 . 3]" 1
176 1 14 ASP HA 1 16 GLY H 4.410 . 4.410 3.312 2.834 4.522 0.112 27 0 "[ . 1 . 2 . 3]" 1
177 1 14 ASP QB 1 15 ASP H 4.070 . 4.070 3.859 3.643 3.970 . 0 0 "[ . 1 . 2 . 3]" 1
178 1 14 ASP HB3 1 15 ASP H 4.670 . 4.670 4.329 4.128 4.443 . 0 0 "[ . 1 . 2 . 3]" 1
179 1 14 ASP HB2 1 15 ASP H 4.670 . 4.670 4.336 4.053 4.525 . 0 0 "[ . 1 . 2 . 3]" 1
180 1 14 ASP H 1 14 ASP HB3 3.460 . 3.460 2.601 2.436 2.880 . 0 0 "[ . 1 . 2 . 3]" 1
181 1 14 ASP H 1 14 ASP HB2 3.460 . 3.460 2.924 2.623 3.265 . 0 0 "[ . 1 . 2 . 3]" 1
182 1 14 ASP H 1 15 ASP HA 4.880 . 4.880 4.935 4.781 5.013 0.133 6 0 "[ . 1 . 2 . 3]" 1
183 1 14 ASP H 1 15 ASP H 4.410 . 4.410 4.001 3.797 4.231 . 0 0 "[ . 1 . 2 . 3]" 1
184 1 15 ASP QB 1 17 SER H 4.490 . 4.490 3.939 2.508 4.647 0.157 10 0 "[ . 1 . 2 . 3]" 1
185 1 15 ASP H 1 15 ASP QB 3.360 . 3.360 2.474 2.161 2.862 . 0 0 "[ . 1 . 2 . 3]" 1
186 1 15 ASP H 1 15 ASP HB3 3.990 . 3.990 2.643 2.234 3.554 . 0 0 "[ . 1 . 2 . 3]" 1
187 1 15 ASP H 1 15 ASP HB2 3.990 . 3.990 3.137 2.605 3.773 . 0 0 "[ . 1 . 2 . 3]" 1
188 1 15 ASP H 1 16 GLY H 3.620 . 3.620 2.429 1.801 3.543 . 0 0 "[ . 1 . 2 . 3]" 1
189 1 15 ASP H 1 17 SER H 3.640 . 3.640 3.228 2.340 3.705 0.065 23 0 "[ . 1 . 2 . 3]" 1
190 1 15 ASP H 1 18 GLY H 3.820 . 3.820 2.935 2.364 3.488 . 0 0 "[ . 1 . 2 . 3]" 1
191 1 16 GLY H 1 17 SER H 4.020 . 4.020 2.472 1.805 3.656 . 0 0 "[ . 1 . 2 . 3]" 1
192 1 16 GLY H 1 18 GLY H 4.610 . 4.610 3.505 2.363 4.654 0.044 6 0 "[ . 1 . 2 . 3]" 1
193 1 17 SER H 1 17 SER QB 3.300 . 3.300 2.791 2.285 3.381 0.081 18 0 "[ . 1 . 2 . 3]" 1
194 1 17 SER H 1 18 GLY H 3.200 . 3.200 2.106 1.752 2.544 0.048 19 0 "[ . 1 . 2 . 3]" 1
195 1 17 SER H 1 19 ARG H 5.030 . 5.030 4.808 4.286 5.101 0.071 20 0 "[ . 1 . 2 . 3]" 1
196 1 18 GLY QA 1 19 ARG QG 5.180 . 5.180 4.090 3.580 4.472 . 0 0 "[ . 1 . 2 . 3]" 1
197 1 18 GLY H 1 19 ARG QG 4.900 . 4.900 3.554 2.864 4.554 . 0 0 "[ . 1 . 2 . 3]" 1
198 1 18 GLY H 1 19 ARG H 3.440 . 3.440 3.007 2.271 3.513 0.073 27 0 "[ . 1 . 2 . 3]" 1
199 1 19 ARG HA 1 19 ARG QD 4.310 . 4.310 3.237 1.847 4.049 . 0 0 "[ . 1 . 2 . 3]" 1
200 1 19 ARG HA 1 19 ARG QG 3.450 . 3.450 2.667 2.335 3.059 . 0 0 "[ . 1 . 2 . 3]" 1
201 1 19 ARG HA 1 20 THR HA 5.500 . 5.500 4.377 4.306 4.460 . 0 0 "[ . 1 . 2 . 3]" 1
202 1 19 ARG HA 1 20 THR MG 4.350 . 4.350 3.553 3.390 3.944 . 0 0 "[ . 1 . 2 . 3]" 1
203 1 19 ARG HA 1 20 THR H 2.680 . 2.680 2.297 2.153 2.448 . 0 0 "[ . 1 . 2 . 3]" 1
204 1 19 ARG HB3 1 20 THR MG 4.610 . 4.610 4.686 4.628 4.730 0.120 4 0 "[ . 1 . 2 . 3]" 1
205 1 19 ARG HB3 1 20 THR H 3.610 . 3.610 2.500 2.226 2.775 . 0 0 "[ . 1 . 2 . 3]" 1
206 1 19 ARG HB3 1 21 TYR H 5.500 . 5.500 5.393 5.027 5.630 0.130 6 0 "[ . 1 . 2 . 3]" 1
207 1 19 ARG HB2 1 20 THR H 4.100 . 4.100 3.699 3.414 3.989 . 0 0 "[ . 1 . 2 . 3]" 1
208 1 19 ARG QD 1 20 THR H 4.610 . 4.610 4.084 2.871 4.695 0.085 21 0 "[ . 1 . 2 . 3]" 1
209 1 19 ARG QG 1 20 THR H 4.250 . 4.250 4.040 3.424 4.381 0.131 18 0 "[ . 1 . 2 . 3]" 1
210 1 19 ARG H 1 19 ARG HB3 3.720 . 3.720 3.651 3.507 3.734 0.014 28 0 "[ . 1 . 2 . 3]" 1
211 1 19 ARG H 1 19 ARG HB2 3.110 . 3.110 2.506 2.255 2.625 . 0 0 "[ . 1 . 2 . 3]" 1
212 1 19 ARG H 1 19 ARG QG 4.090 . 4.090 2.755 2.296 3.328 . 0 0 "[ . 1 . 2 . 3]" 1
213 1 19 ARG H 1 20 THR H 4.570 . 4.570 4.494 4.425 4.574 0.004 6 0 "[ . 1 . 2 . 3]" 1
214 1 20 THR HA 1 20 THR MG 3.330 . 3.330 2.295 2.230 2.355 . 0 0 "[ . 1 . 2 . 3]" 1
215 1 20 THR HA 1 21 TYR HA 5.500 . 5.500 4.409 4.344 4.521 . 0 0 "[ . 1 . 2 . 3]" 1
216 1 20 THR HA 1 21 TYR QB 5.290 . 5.290 3.988 3.800 4.090 . 0 0 "[ . 1 . 2 . 3]" 1
217 1 20 THR HA 1 21 TYR H 2.850 . 2.850 2.173 2.095 2.327 . 0 0 "[ . 1 . 2 . 3]" 1
218 1 20 THR HB 1 21 TYR QB 5.320 . 5.320 5.024 4.842 5.133 . 0 0 "[ . 1 . 2 . 3]" 1
219 1 20 THR HB 1 21 TYR H 3.090 . 3.090 3.011 2.709 3.122 0.032 15 0 "[ . 1 . 2 . 3]" 1
220 1 20 THR MG 1 21 TYR H 4.090 . 4.090 3.728 3.492 3.951 . 0 0 "[ . 1 . 2 . 3]" 1
221 1 20 THR H 1 20 THR HB 3.990 . 3.990 3.782 3.678 3.892 . 0 0 "[ . 1 . 2 . 3]" 1
222 1 20 THR H 1 20 THR MG 3.560 . 3.560 3.080 2.761 3.354 . 0 0 "[ . 1 . 2 . 3]" 1
223 1 20 THR H 1 21 TYR H 4.470 . 4.470 4.268 4.152 4.366 . 0 0 "[ . 1 . 2 . 3]" 1
224 1 21 TYR HA 1 21 TYR QD 3.620 . 3.620 2.819 2.525 3.174 . 0 0 "[ . 1 . 2 . 3]" 1
225 1 21 TYR HA 1 22 GLN H 2.630 . 2.630 2.153 2.066 2.250 . 0 0 "[ . 1 . 2 . 3]" 1
226 1 21 TYR QB 1 22 GLN H 4.450 . 4.450 3.783 3.616 3.897 . 0 0 "[ . 1 . 2 . 3]" 1
227 1 21 TYR QD 1 22 GLN H 3.720 . 3.720 3.595 3.237 3.763 0.043 14 0 "[ . 1 . 2 . 3]" 1
228 1 21 TYR QD 1 23 LEU HA 4.380 . 4.380 3.822 2.944 4.367 . 0 0 "[ . 1 . 2 . 3]" 1
229 1 21 TYR QD 1 23 LEU MD1 5.500 . 5.500 5.150 4.652 5.530 0.030 4 0 "[ . 1 . 2 . 3]" 1
230 1 21 TYR QD 1 23 LEU HG 4.790 . 4.790 4.253 3.605 4.732 . 0 0 "[ . 1 . 2 . 3]" 1
231 1 21 TYR QE 1 24 ARG H 4.770 . 4.770 3.957 3.019 4.796 0.026 13 0 "[ . 1 . 2 . 3]" 1
232 1 21 TYR H 1 21 TYR HB3 3.520 . 3.520 2.699 2.528 2.898 . 0 0 "[ . 1 . 2 . 3]" 1
233 1 21 TYR H 1 21 TYR HB2 3.520 . 3.520 3.236 2.994 3.422 . 0 0 "[ . 1 . 2 . 3]" 1
234 1 21 TYR H 1 21 TYR QD 4.500 . 4.500 4.320 4.182 4.446 . 0 0 "[ . 1 . 2 . 3]" 1
235 1 21 TYR H 1 22 GLN H 4.630 . 4.630 4.166 4.030 4.308 . 0 0 "[ . 1 . 2 . 3]" 1
236 1 22 GLN HA 1 23 LEU HA 5.480 . 5.480 4.302 4.181 4.395 . 0 0 "[ . 1 . 2 . 3]" 1
237 1 22 GLN HA 1 23 LEU H 2.860 . 2.860 2.127 2.059 2.208 . 0 0 "[ . 1 . 2 . 3]" 1
238 1 22 GLN QB 1 23 LEU H 4.100 . 4.100 3.625 2.959 3.813 . 0 0 "[ . 1 . 2 . 3]" 1
239 1 22 GLN QE 1 22 GLN QG 2.940 . 2.940 2.136 2.087 2.176 . 0 0 "[ . 1 . 2 . 3]" 1
240 1 22 GLN QG 1 23 LEU H 3.620 . 3.620 2.667 2.322 3.686 0.066 15 0 "[ . 1 . 2 . 3]" 1
241 1 22 GLN H 1 22 GLN QB 2.720 . 2.720 2.330 2.243 2.454 . 0 0 "[ . 1 . 2 . 3]" 1
242 1 22 GLN H 1 22 GLN QG 4.560 . 4.560 3.992 3.609 4.099 . 0 0 "[ . 1 . 2 . 3]" 1
243 1 22 GLN H 1 22 GLN HG3 5.340 . 5.340 4.531 3.955 4.686 . 0 0 "[ . 1 . 2 . 3]" 1
244 1 22 GLN H 1 22 GLN HG2 5.340 . 5.340 4.437 4.164 4.527 . 0 0 "[ . 1 . 2 . 3]" 1
245 1 23 LEU HA 1 23 LEU MD1 4.530 . 4.530 3.835 3.803 3.880 . 0 0 "[ . 1 . 2 . 3]" 1
246 1 23 LEU HA 1 23 LEU MD2 3.230 . 3.230 2.065 2.006 2.156 . 0 0 "[ . 1 . 2 . 3]" 1
247 1 23 LEU HA 1 24 ARG HA 5.500 . 5.500 4.333 4.253 4.387 . 0 0 "[ . 1 . 2 . 3]" 1
248 1 23 LEU HA 1 24 ARG H 2.980 . 2.980 2.138 2.051 2.269 . 0 0 "[ . 1 . 2 . 3]" 1
249 1 23 LEU HA 1 28 ASN QD 4.420 . 4.420 3.599 3.181 4.159 . 0 0 "[ . 1 . 2 . 3]" 1
250 1 23 LEU HB3 1 24 ARG H 3.880 . 3.880 3.078 2.725 3.436 . 0 0 "[ . 1 . 2 . 3]" 1
251 1 23 LEU HB3 1 28 ASN QD 4.070 . 4.070 2.952 1.976 3.740 . 0 0 "[ . 1 . 2 . 3]" 1
252 1 23 LEU HB3 1 28 ASN HD21 4.680 . 4.680 3.630 2.780 4.453 . 0 0 "[ . 1 . 2 . 3]" 1
253 1 23 LEU HB3 1 28 ASN HD22 4.680 . 4.680 3.142 2.011 4.097 . 0 0 "[ . 1 . 2 . 3]" 1
254 1 23 LEU HB3 1 54 TRP HB2 4.410 . 4.410 2.938 2.519 3.377 . 0 0 "[ . 1 . 2 . 3]" 1
255 1 23 LEU HB3 1 54 TRP HD1 4.540 . 4.540 3.633 3.086 3.910 . 0 0 "[ . 1 . 2 . 3]" 1
256 1 23 LEU HB3 1 54 TRP HE1 5.500 . 5.500 5.274 4.572 5.535 0.035 7 0 "[ . 1 . 2 . 3]" 1
257 1 23 LEU HB2 1 23 LEU MD1 3.510 . 3.510 2.323 2.227 2.365 . 0 0 "[ . 1 . 2 . 3]" 1
258 1 23 LEU HB2 1 54 TRP HE1 5.500 . 5.500 4.750 4.088 5.266 . 0 0 "[ . 1 . 2 . 3]" 1
259 1 23 LEU MD1 1 52 ILE HB 4.310 . 4.310 3.313 2.602 3.967 . 0 0 "[ . 1 . 2 . 3]" 1
260 1 23 LEU MD1 1 52 ILE MD 3.210 . 3.210 2.398 1.990 2.904 . 0 0 "[ . 1 . 2 . 3]" 1
261 1 23 LEU MD1 1 52 ILE MG 3.190 . 3.190 1.886 1.806 2.030 . 0 0 "[ . 1 . 2 . 3]" 1
262 1 23 LEU MD1 1 54 TRP HA 4.670 . 4.670 4.315 3.753 4.697 0.027 18 0 "[ . 1 . 2 . 3]" 1
263 1 23 LEU MD1 1 54 TRP HB3 4.000 . 4.000 3.759 3.427 4.006 0.006 4 0 "[ . 1 . 2 . 3]" 1
264 1 23 LEU MD1 1 54 TRP HB2 4.230 . 4.230 2.560 2.142 2.857 . 0 0 "[ . 1 . 2 . 3]" 1
265 1 23 LEU MD1 1 54 TRP HD1 4.870 . 4.870 4.756 4.299 4.914 0.044 7 0 "[ . 1 . 2 . 3]" 1
266 1 23 LEU MD1 1 54 TRP HE3 4.770 . 4.770 3.967 3.339 4.483 . 0 0 "[ . 1 . 2 . 3]" 1
267 1 23 LEU MD1 1 59 ALA HA 5.360 . 5.360 4.434 3.835 5.037 . 0 0 "[ . 1 . 2 . 3]" 1
268 1 23 LEU MD2 1 24 ARG H 3.830 . 3.830 3.468 3.183 3.807 . 0 0 "[ . 1 . 2 . 3]" 1
269 1 23 LEU MD2 1 28 ASN HD21 4.440 . 4.440 3.036 2.438 3.938 . 0 0 "[ . 1 . 2 . 3]" 1
270 1 23 LEU MD2 1 28 ASN HD22 4.440 . 4.440 2.824 1.751 3.892 0.049 3 0 "[ . 1 . 2 . 3]" 1
271 1 23 LEU MD2 1 52 ILE HA 5.270 . 5.270 5.269 4.924 5.343 0.073 22 0 "[ . 1 . 2 . 3]" 1
272 1 23 LEU H 1 23 LEU HB3 3.620 . 3.620 3.573 3.512 3.629 0.009 10 0 "[ . 1 . 2 . 3]" 1
273 1 23 LEU H 1 23 LEU MD1 3.780 . 3.780 3.674 3.474 3.782 0.002 10 0 "[ . 1 . 2 . 3]" 1
274 1 23 LEU H 1 23 LEU MD2 3.710 . 3.710 3.443 3.230 3.660 . 0 0 "[ . 1 . 2 . 3]" 1
275 1 23 LEU H 1 23 LEU HG 3.200 . 3.200 2.456 2.321 2.686 . 0 0 "[ . 1 . 2 . 3]" 1
276 1 23 LEU H 1 24 ARG H 4.930 . 4.930 4.504 4.384 4.583 . 0 0 "[ . 1 . 2 . 3]" 1
277 1 24 ARG HA 1 24 ARG QD 4.730 . 4.730 3.081 1.990 4.546 . 0 0 "[ . 1 . 2 . 3]" 1
278 1 24 ARG HA 1 24 ARG HD3 5.500 . 5.500 3.748 2.021 5.518 0.018 21 0 "[ . 1 . 2 . 3]" 1
279 1 24 ARG HA 1 24 ARG HD2 5.500 . 5.500 3.583 2.112 5.515 0.015 14 0 "[ . 1 . 2 . 3]" 1
280 1 24 ARG HA 1 25 GLU H 2.780 . 2.780 2.361 2.137 2.628 . 0 0 "[ . 1 . 2 . 3]" 1
281 1 24 ARG QB 1 24 ARG QD 3.120 . 3.120 2.448 2.072 2.949 . 0 0 "[ . 1 . 2 . 3]" 1
282 1 24 ARG QB 1 25 GLU H 2.650 . 2.650 2.463 1.958 2.700 0.050 16 0 "[ . 1 . 2 . 3]" 1
283 1 24 ARG HD3 1 25 GLU H 5.500 . 5.500 4.882 3.921 5.609 0.109 24 0 "[ . 1 . 2 . 3]" 1
284 1 24 ARG HD2 1 25 GLU H 5.500 . 5.500 4.787 3.625 5.576 0.076 5 0 "[ . 1 . 2 . 3]" 1
285 1 24 ARG QG 1 25 GLU H 4.540 . 4.540 4.079 3.304 4.557 0.017 25 0 "[ . 1 . 2 . 3]" 1
286 1 24 ARG H 1 24 ARG QB 3.470 . 3.470 2.532 2.350 2.837 . 0 0 "[ . 1 . 2 . 3]" 1
287 1 24 ARG H 1 24 ARG QG 3.690 . 3.690 2.545 1.968 3.707 0.017 4 0 "[ . 1 . 2 . 3]" 1
288 1 24 ARG H 1 28 ASN QD 3.850 . 3.850 2.858 2.264 3.647 . 0 0 "[ . 1 . 2 . 3]" 1
289 1 24 ARG H 1 28 ASN HD21 4.410 . 4.410 3.858 2.957 4.367 . 0 0 "[ . 1 . 2 . 3]" 1
290 1 24 ARG H 1 28 ASN HD22 4.410 . 4.410 3.181 2.286 4.483 0.073 3 0 "[ . 1 . 2 . 3]" 1
291 1 24 ARG H 1 54 TRP HD1 5.040 . 5.040 4.318 3.792 4.888 . 0 0 "[ . 1 . 2 . 3]" 1
292 1 25 GLU HA 1 26 GLY H 3.330 . 3.330 2.067 1.937 2.183 . 0 0 "[ . 1 . 2 . 3]" 1
293 1 25 GLU HA 1 54 TRP HE1 4.210 . 4.210 4.045 3.608 4.239 0.029 10 0 "[ . 1 . 2 . 3]" 1
294 1 25 GLU QB 1 26 GLY H 4.470 . 4.470 3.078 2.564 3.397 . 0 0 "[ . 1 . 2 . 3]" 1
295 1 25 GLU QB 1 54 TRP HD1 4.680 . 4.680 3.376 2.671 4.016 . 0 0 "[ . 1 . 2 . 3]" 1
296 1 25 GLU QB 1 54 TRP HE1 4.750 . 4.750 3.817 3.005 4.792 0.042 7 0 "[ . 1 . 2 . 3]" 1
297 1 25 GLU H 1 26 GLY H 4.720 . 4.720 4.463 4.332 4.592 . 0 0 "[ . 1 . 2 . 3]" 1
298 1 25 GLU H 1 54 TRP HD1 3.910 . 3.910 3.356 2.948 3.966 0.056 10 0 "[ . 1 . 2 . 3]" 1
299 1 26 GLY QA 1 27 SER HB3 4.230 . 4.230 4.245 4.203 4.303 0.073 25 0 "[ . 1 . 2 . 3]" 1
300 1 26 GLY QA 1 27 SER H 2.620 . 2.620 2.304 2.221 2.376 . 0 0 "[ . 1 . 2 . 3]" 1
301 1 26 GLY HA3 1 27 SER H 3.060 . 3.060 2.477 2.316 2.593 . 0 0 "[ . 1 . 2 . 3]" 1
302 1 26 GLY HA2 1 27 SER H 3.060 . 3.060 2.764 2.504 3.003 . 0 0 "[ . 1 . 2 . 3]" 1
303 1 26 GLY H 1 27 SER H 4.690 . 4.690 4.396 4.278 4.527 . 0 0 "[ . 1 . 2 . 3]" 1
304 1 26 GLY H 1 54 TRP HD1 4.660 . 4.660 3.765 3.329 4.168 . 0 0 "[ . 1 . 2 . 3]" 1
305 1 26 GLY H 1 54 TRP H 4.040 . 4.040 3.236 2.987 3.612 . 0 0 "[ . 1 . 2 . 3]" 1
306 1 27 SER HA 1 28 ASN HA 5.100 . 5.100 4.309 4.245 4.416 . 0 0 "[ . 1 . 2 . 3]" 1
307 1 27 SER HA 1 28 ASN QD 4.060 . 4.060 3.194 2.624 3.632 . 0 0 "[ . 1 . 2 . 3]" 1
308 1 27 SER HA 1 28 ASN HD21 4.700 . 4.700 3.299 2.658 3.791 . 0 0 "[ . 1 . 2 . 3]" 1
309 1 27 SER HA 1 28 ASN HD22 4.700 . 4.700 4.323 4.057 4.662 . 0 0 "[ . 1 . 2 . 3]" 1
310 1 27 SER HA 1 28 ASN H 2.890 . 2.890 2.098 1.978 2.283 . 0 0 "[ . 1 . 2 . 3]" 1
311 1 27 SER HA 1 53 ARG HA 3.540 . 3.540 1.963 1.823 2.135 . 0 0 "[ . 1 . 2 . 3]" 1
312 1 27 SER HA 1 53 ARG QD 5.340 . 5.340 5.145 3.793 5.432 0.092 26 0 "[ . 1 . 2 . 3]" 1
313 1 27 SER HA 1 53 ARG QG 3.770 . 3.770 3.493 3.271 3.699 . 0 0 "[ . 1 . 2 . 3]" 1
314 1 27 SER HA 1 54 TRP HA 5.500 . 5.500 5.486 5.397 5.540 0.040 26 0 "[ . 1 . 2 . 3]" 1
315 1 27 SER HA 1 54 TRP HB3 4.380 . 4.380 4.422 4.330 4.491 0.111 11 0 "[ . 1 . 2 . 3]" 1
316 1 27 SER HA 1 54 TRP H 3.900 . 3.900 2.690 2.604 2.783 . 0 0 "[ . 1 . 2 . 3]" 1
317 1 27 SER HB3 1 28 ASN H 4.320 . 4.320 3.964 3.846 4.164 . 0 0 "[ . 1 . 2 . 3]" 1
318 1 27 SER HB3 1 53 ARG QG 4.560 . 4.560 2.498 1.907 3.899 . 0 0 "[ . 1 . 2 . 3]" 1
319 1 27 SER HB2 1 28 ASN QD 5.340 . 5.340 5.011 4.517 5.424 0.084 10 0 "[ . 1 . 2 . 3]" 1
320 1 27 SER HB2 1 28 ASN H 4.210 . 4.210 3.106 2.800 3.929 . 0 0 "[ . 1 . 2 . 3]" 1
321 1 27 SER HB2 1 52 ILE MG 5.480 . 5.480 5.548 5.504 5.614 0.134 23 0 "[ . 1 . 2 . 3]" 1
322 1 27 SER HB2 1 53 ARG HA 5.310 . 5.310 3.055 2.152 3.381 . 0 0 "[ . 1 . 2 . 3]" 1
323 1 27 SER HB2 1 53 ARG QG 4.520 . 4.520 3.465 1.941 4.467 . 0 0 "[ . 1 . 2 . 3]" 1
324 1 27 SER H 1 27 SER HB3 3.380 . 3.380 2.943 2.452 3.089 . 0 0 "[ . 1 . 2 . 3]" 1
325 1 27 SER H 1 28 ASN H 4.630 . 4.630 4.395 4.272 4.482 . 0 0 "[ . 1 . 2 . 3]" 1
326 1 27 SER H 1 53 ARG QG 5.340 . 5.340 4.267 3.517 4.979 . 0 0 "[ . 1 . 2 . 3]" 1
327 1 27 SER H 1 54 TRP H 4.860 . 4.860 4.577 4.377 4.730 . 0 0 "[ . 1 . 2 . 3]" 1
328 1 28 ASN HA 1 28 ASN QD 4.510 . 4.510 3.565 2.726 3.919 . 0 0 "[ . 1 . 2 . 3]" 1
329 1 28 ASN HA 1 29 ILE H 2.820 . 2.820 2.112 2.010 2.243 . 0 0 "[ . 1 . 2 . 3]" 1
330 1 28 ASN HA 1 37 GLN QB 5.150 . 5.150 3.244 2.559 4.246 . 0 0 "[ . 1 . 2 . 3]" 1
331 1 28 ASN HA 1 37 GLN QG 4.380 . 4.380 3.050 1.919 4.391 0.011 13 0 "[ . 1 . 2 . 3]" 1
332 1 28 ASN QB 1 29 ILE HA 5.040 . 5.040 4.489 4.282 4.679 . 0 0 "[ . 1 . 2 . 3]" 1
333 1 28 ASN QB 1 51 GLU HA 5.170 . 5.170 4.844 4.263 5.237 0.067 29 0 "[ . 1 . 2 . 3]" 1
334 1 28 ASN QB 1 52 ILE HB 4.620 . 4.620 3.177 2.041 4.385 . 0 0 "[ . 1 . 2 . 3]" 1
335 1 28 ASN QB 1 52 ILE MD 4.890 . 4.890 3.984 3.174 4.901 0.011 3 0 "[ . 1 . 2 . 3]" 1
336 1 28 ASN QB 1 52 ILE H 4.560 . 4.560 3.669 2.905 4.385 . 0 0 "[ . 1 . 2 . 3]" 1
337 1 28 ASN QD 1 52 ILE HB 5.030 . 5.030 2.940 1.793 4.504 0.007 10 0 "[ . 1 . 2 . 3]" 1
338 1 28 ASN QD 1 53 ARG HA 4.880 . 4.880 4.163 3.815 4.651 . 0 0 "[ . 1 . 2 . 3]" 1
339 1 28 ASN QD 1 54 TRP HB3 4.510 . 4.510 3.133 2.443 4.159 . 0 0 "[ . 1 . 2 . 3]" 1
340 1 28 ASN QD 1 54 TRP H 4.740 . 4.740 3.552 3.075 4.323 . 0 0 "[ . 1 . 2 . 3]" 1
341 1 28 ASN H 1 28 ASN QB 3.340 . 3.340 2.695 2.428 3.080 . 0 0 "[ . 1 . 2 . 3]" 1
342 1 28 ASN H 1 28 ASN HB3 3.960 . 3.960 3.513 3.123 3.743 . 0 0 "[ . 1 . 2 . 3]" 1
343 1 28 ASN H 1 28 ASN HB2 3.960 . 3.960 2.985 2.466 3.806 . 0 0 "[ . 1 . 2 . 3]" 1
344 1 28 ASN H 1 28 ASN QD 3.570 . 3.570 2.447 2.041 2.806 . 0 0 "[ . 1 . 2 . 3]" 1
345 1 28 ASN H 1 28 ASN HD21 4.290 . 4.290 2.501 2.050 2.944 . 0 0 "[ . 1 . 2 . 3]" 1
346 1 28 ASN H 1 28 ASN HD22 4.290 . 4.290 3.671 3.179 4.209 . 0 0 "[ . 1 . 2 . 3]" 1
347 1 28 ASN H 1 29 ILE H 4.530 . 4.530 4.219 4.078 4.393 . 0 0 "[ . 1 . 2 . 3]" 1
348 1 28 ASN H 1 51 GLU HB3 5.500 . 5.500 5.532 5.470 5.576 0.076 19 0 "[ . 1 . 2 . 3]" 1
349 1 28 ASN H 1 51 GLU HB2 4.530 . 4.530 4.186 3.879 4.478 . 0 0 "[ . 1 . 2 . 3]" 1
350 1 28 ASN H 1 52 ILE HB 4.030 . 4.030 3.325 3.107 3.566 . 0 0 "[ . 1 . 2 . 3]" 1
351 1 28 ASN H 1 52 ILE MG 4.520 . 4.520 4.071 3.891 4.266 . 0 0 "[ . 1 . 2 . 3]" 1
352 1 28 ASN H 1 52 ILE H 3.760 . 3.760 2.899 2.710 3.072 . 0 0 "[ . 1 . 2 . 3]" 1
353 1 28 ASN H 1 53 ARG HA 3.660 . 3.660 3.386 3.240 3.587 . 0 0 "[ . 1 . 2 . 3]" 1
354 1 28 ASN H 1 53 ARG QG 5.340 . 5.340 5.046 4.170 5.391 0.051 25 0 "[ . 1 . 2 . 3]" 1
355 1 29 ILE HA 1 29 ILE QG 3.470 . 3.470 2.608 2.398 3.092 . 0 0 "[ . 1 . 2 . 3]" 1
356 1 29 ILE HA 1 30 ILE H 3.040 . 3.040 2.131 2.052 2.180 . 0 0 "[ . 1 . 2 . 3]" 1
357 1 29 ILE HA 1 50 LEU H 5.300 . 5.300 4.650 4.396 4.958 . 0 0 "[ . 1 . 2 . 3]" 1
358 1 29 ILE HA 1 51 GLU HA 3.740 . 3.740 2.295 2.062 2.573 . 0 0 "[ . 1 . 2 . 3]" 1
359 1 29 ILE HA 1 51 GLU HB2 5.020 . 5.020 3.395 2.676 4.029 . 0 0 "[ . 1 . 2 . 3]" 1
360 1 29 ILE HA 1 52 ILE H 4.270 . 4.270 3.573 3.254 3.829 . 0 0 "[ . 1 . 2 . 3]" 1
361 1 29 ILE HB 1 30 ILE H 4.730 . 4.730 4.140 4.000 4.303 . 0 0 "[ . 1 . 2 . 3]" 1
362 1 29 ILE HB 1 36 ALA HA 3.330 . 3.330 2.213 1.904 2.826 . 0 0 "[ . 1 . 2 . 3]" 1
363 1 29 ILE HB 1 36 ALA MB 4.320 . 4.320 3.647 3.173 4.089 . 0 0 "[ . 1 . 2 . 3]" 1
364 1 29 ILE HB 1 37 GLN H 3.390 . 3.390 2.388 2.007 2.868 . 0 0 "[ . 1 . 2 . 3]" 1
365 1 29 ILE HB 1 48 ARG HG2 4.700 . 4.700 4.509 4.097 4.732 0.032 21 0 "[ . 1 . 2 . 3]" 1
366 1 29 ILE QG 1 36 ALA HA 5.010 . 5.010 4.105 3.546 4.604 . 0 0 "[ . 1 . 2 . 3]" 1
367 1 29 ILE QG 1 37 GLN H 5.000 . 5.000 4.203 3.733 4.686 . 0 0 "[ . 1 . 2 . 3]" 1
368 1 29 ILE QG 1 29 ILE MG 3.140 . 3.140 2.322 2.273 2.368 . 0 0 "[ . 1 . 2 . 3]" 1
369 1 29 ILE MG 1 30 ILE H 3.250 . 3.250 2.702 2.485 3.034 . 0 0 "[ . 1 . 2 . 3]" 1
370 1 29 ILE MG 1 31 GLY HA3 4.450 . 4.450 3.992 3.573 4.382 . 0 0 "[ . 1 . 2 . 3]" 1
371 1 29 ILE MG 1 36 ALA HA 3.430 . 3.430 2.299 2.068 2.604 . 0 0 "[ . 1 . 2 . 3]" 1
372 1 29 ILE MG 1 36 ALA H 4.570 . 4.570 4.106 3.407 4.598 0.028 10 0 "[ . 1 . 2 . 3]" 1
373 1 29 ILE MG 1 37 GLN H 3.740 . 3.740 3.364 2.960 3.771 0.031 4 0 "[ . 1 . 2 . 3]" 1
374 1 29 ILE MG 1 38 PHE H 4.960 . 4.960 4.469 4.155 4.814 . 0 0 "[ . 1 . 2 . 3]" 1
375 1 29 ILE MG 1 48 ARG QD 4.210 . 4.210 3.194 2.342 3.934 . 0 0 "[ . 1 . 2 . 3]" 1
376 1 29 ILE MG 1 48 ARG HG2 3.590 . 3.590 2.068 1.847 2.400 . 0 0 "[ . 1 . 2 . 3]" 1
377 1 29 ILE MG 1 49 HIS H 3.740 . 3.740 3.468 3.128 3.765 0.025 3 0 "[ . 1 . 2 . 3]" 1
378 1 29 ILE MG 1 50 LEU H 4.090 . 4.090 3.609 3.244 3.979 . 0 0 "[ . 1 . 2 . 3]" 1
379 1 29 ILE H 1 29 ILE HB 3.070 . 3.070 2.549 2.425 2.666 . 0 0 "[ . 1 . 2 . 3]" 1
380 1 29 ILE H 1 29 ILE MD 4.490 . 4.490 3.649 3.156 4.065 . 0 0 "[ . 1 . 2 . 3]" 1
381 1 29 ILE H 1 29 ILE QG 3.220 . 3.220 2.374 2.160 2.781 . 0 0 "[ . 1 . 2 . 3]" 1
382 1 29 ILE H 1 29 ILE MG 4.290 . 4.290 3.806 3.742 3.876 . 0 0 "[ . 1 . 2 . 3]" 1
383 1 29 ILE H 1 30 ILE H 4.810 . 4.810 4.410 4.279 4.491 . 0 0 "[ . 1 . 2 . 3]" 1
384 1 29 ILE H 1 36 ALA HA 5.210 . 5.210 4.418 3.813 5.251 0.041 13 0 "[ . 1 . 2 . 3]" 1
385 1 29 ILE H 1 37 GLN QB 3.510 . 3.510 2.503 1.879 3.297 . 0 0 "[ . 1 . 2 . 3]" 1
386 1 29 ILE H 1 37 GLN QG 4.060 . 4.060 2.511 1.883 4.072 0.012 4 0 "[ . 1 . 2 . 3]" 1
387 1 29 ILE H 1 37 GLN H 3.860 . 3.860 3.209 2.645 3.712 . 0 0 "[ . 1 . 2 . 3]" 1
388 1 30 ILE HA 1 30 ILE QG 3.560 . 3.560 2.429 2.332 2.465 . 0 0 "[ . 1 . 2 . 3]" 1
389 1 30 ILE HA 1 30 ILE MG 2.910 . 2.910 2.459 2.390 2.652 . 0 0 "[ . 1 . 2 . 3]" 1
390 1 30 ILE HA 1 31 GLY HA3 5.370 . 5.370 4.400 4.350 4.445 . 0 0 "[ . 1 . 2 . 3]" 1
391 1 30 ILE HA 1 31 GLY HA2 4.780 . 4.780 4.425 4.360 4.544 . 0 0 "[ . 1 . 2 . 3]" 1
392 1 30 ILE HA 1 31 GLY H 3.310 . 3.310 2.155 2.108 2.222 . 0 0 "[ . 1 . 2 . 3]" 1
393 1 30 ILE HA 1 36 ALA MB 3.990 . 3.990 3.374 2.763 3.727 . 0 0 "[ . 1 . 2 . 3]" 1
394 1 30 ILE HA 1 37 GLN H 4.470 . 4.470 3.956 3.554 4.484 0.014 4 0 "[ . 1 . 2 . 3]" 1
395 1 30 ILE HA 1 38 PHE QB 4.170 . 4.170 2.541 2.107 2.855 . 0 0 "[ . 1 . 2 . 3]" 1
396 1 30 ILE HA 1 38 PHE QD 4.810 . 4.810 3.109 2.685 3.574 . 0 0 "[ . 1 . 2 . 3]" 1
397 1 30 ILE HA 1 38 PHE H 3.970 . 3.970 2.938 2.694 3.261 . 0 0 "[ . 1 . 2 . 3]" 1
398 1 30 ILE HA 1 40 LEU QD 5.150 . 5.150 4.496 3.259 4.950 . 0 0 "[ . 1 . 2 . 3]" 1
399 1 30 ILE HA 1 50 LEU H 5.500 . 5.500 5.030 4.874 5.192 . 0 0 "[ . 1 . 2 . 3]" 1
400 1 30 ILE HB 1 38 PHE QD 4.390 . 4.390 4.172 4.047 4.430 0.040 19 0 "[ . 1 . 2 . 3]" 1
401 1 30 ILE HB 1 38 PHE QE 5.500 . 5.500 5.570 5.535 5.609 0.109 25 0 "[ . 1 . 2 . 3]" 1
402 1 30 ILE HB 1 50 LEU H 3.890 . 3.890 3.387 3.113 3.814 . 0 0 "[ . 1 . 2 . 3]" 1
403 1 30 ILE MD 1 38 PHE QB 4.520 . 4.520 3.540 3.290 3.712 . 0 0 "[ . 1 . 2 . 3]" 1
404 1 30 ILE MD 1 38 PHE QE 4.770 . 4.770 3.345 3.134 3.800 . 0 0 "[ . 1 . 2 . 3]" 1
405 1 30 ILE MD 1 40 LEU QD 4.420 . 4.420 3.410 3.163 3.734 . 0 0 "[ . 1 . 2 . 3]" 1
406 1 30 ILE QG 1 38 PHE QB 3.520 . 3.520 2.045 1.882 2.225 . 0 0 "[ . 1 . 2 . 3]" 1
407 1 30 ILE QG 1 38 PHE QD 4.020 . 4.020 2.161 1.974 2.631 . 0 0 "[ . 1 . 2 . 3]" 1
408 1 30 ILE MG 1 31 GLY HA3 4.880 . 4.880 3.990 3.836 4.183 . 0 0 "[ . 1 . 2 . 3]" 1
409 1 30 ILE MG 1 31 GLY HA2 3.490 . 3.490 3.159 3.065 3.367 . 0 0 "[ . 1 . 2 . 3]" 1
410 1 30 ILE MG 1 31 GLY H 3.820 . 3.820 2.677 2.400 3.124 . 0 0 "[ . 1 . 2 . 3]" 1
411 1 30 ILE MG 1 38 PHE QD 3.180 . 3.180 1.895 1.836 2.007 . 0 0 "[ . 1 . 2 . 3]" 1
412 1 30 ILE MG 1 38 PHE H 5.430 . 5.430 4.647 4.229 5.060 . 0 0 "[ . 1 . 2 . 3]" 1
413 1 30 ILE MG 1 40 LEU QD 3.080 . 3.080 2.138 1.769 2.438 0.031 25 0 "[ . 1 . 2 . 3]" 1
414 1 30 ILE MG 1 40 LEU MD1 3.980 . 3.980 2.417 1.827 3.100 . 0 0 "[ . 1 . 2 . 3]" 1
415 1 30 ILE MG 1 40 LEU MD2 3.980 . 3.980 2.523 1.779 3.332 0.021 25 0 "[ . 1 . 2 . 3]" 1
416 1 30 ILE MG 1 50 LEU H 4.510 . 4.510 4.105 3.480 4.484 . 0 0 "[ . 1 . 2 . 3]" 1
417 1 30 ILE H 1 30 ILE HB 3.540 . 3.540 2.519 2.337 2.639 . 0 0 "[ . 1 . 2 . 3]" 1
418 1 30 ILE H 1 30 ILE QG 3.860 . 3.860 2.669 2.415 2.902 . 0 0 "[ . 1 . 2 . 3]" 1
419 1 30 ILE H 1 30 ILE HG12 4.500 . 4.500 3.846 3.652 4.020 . 0 0 "[ . 1 . 2 . 3]" 1
420 1 30 ILE H 1 49 HIS H 4.730 . 4.730 4.117 3.862 4.330 . 0 0 "[ . 1 . 2 . 3]" 1
421 1 30 ILE H 1 50 LEU H 3.770 . 3.770 3.166 2.983 3.341 . 0 0 "[ . 1 . 2 . 3]" 1
422 1 30 ILE H 1 51 GLU HA 4.260 . 4.260 2.926 2.480 3.310 . 0 0 "[ . 1 . 2 . 3]" 1
423 1 31 GLY HA3 1 32 ARG H 3.370 . 3.370 2.424 2.214 2.640 . 0 0 "[ . 1 . 2 . 3]" 1
424 1 31 GLY HA3 1 36 ALA MB 5.000 . 5.000 3.118 2.881 3.445 . 0 0 "[ . 1 . 2 . 3]" 1
425 1 31 GLY HA3 1 40 LEU QD 5.230 . 5.230 4.580 3.582 5.239 0.009 21 0 "[ . 1 . 2 . 3]" 1
426 1 31 GLY HA3 1 49 HIS HB2 5.010 . 5.010 3.496 3.152 3.908 . 0 0 "[ . 1 . 2 . 3]" 1
427 1 31 GLY HA3 1 49 HIS H 3.560 . 3.560 2.748 2.178 3.176 . 0 0 "[ . 1 . 2 . 3]" 1
428 1 31 GLY HA3 1 50 LEU H 4.650 . 4.650 4.319 3.994 4.521 . 0 0 "[ . 1 . 2 . 3]" 1
429 1 31 GLY HA2 1 32 ARG QG 3.920 . 3.920 3.544 3.233 3.838 . 0 0 "[ . 1 . 2 . 3]" 1
430 1 31 GLY HA2 1 32 ARG HG3 4.540 . 4.540 3.746 3.303 4.687 0.147 13 0 "[ . 1 . 2 . 3]" 1
431 1 31 GLY HA2 1 32 ARG HG2 4.540 . 4.540 4.540 3.300 4.633 0.093 27 0 "[ . 1 . 2 . 3]" 1
432 1 31 GLY HA2 1 32 ARG H 3.410 . 3.410 2.731 2.496 2.920 . 0 0 "[ . 1 . 2 . 3]" 1
433 1 31 GLY HA2 1 36 ALA MB 4.580 . 4.580 4.062 3.821 4.348 . 0 0 "[ . 1 . 2 . 3]" 1
434 1 31 GLY HA2 1 45 VAL QG 3.760 . 3.760 1.925 1.800 2.223 0.000 26 0 "[ . 1 . 2 . 3]" 1
435 1 31 GLY H 1 32 ARG QG 4.870 . 4.870 4.584 4.362 4.895 0.025 26 0 "[ . 1 . 2 . 3]" 1
436 1 31 GLY H 1 32 ARG H 4.540 . 4.540 4.316 4.259 4.367 . 0 0 "[ . 1 . 2 . 3]" 1
437 1 31 GLY H 1 33 GLY H 5.500 . 5.500 5.367 5.121 5.528 0.028 16 0 "[ . 1 . 2 . 3]" 1
438 1 31 GLY H 1 36 ALA MB 3.800 . 3.800 2.721 2.422 3.024 . 0 0 "[ . 1 . 2 . 3]" 1
439 1 31 GLY H 1 38 PHE H 4.700 . 4.700 4.007 3.761 4.470 . 0 0 "[ . 1 . 2 . 3]" 1
440 1 32 ARG HA 1 32 ARG QD 4.870 . 4.870 3.946 2.162 4.340 . 0 0 "[ . 1 . 2 . 3]" 1
441 1 32 ARG HA 1 32 ARG QG 3.650 . 3.650 2.438 2.243 2.671 . 0 0 "[ . 1 . 2 . 3]" 1
442 1 32 ARG HA 1 39 ARG HD3 5.500 . 5.500 4.214 2.882 5.524 0.024 28 0 "[ . 1 . 2 . 3]" 1
443 1 32 ARG HA 1 39 ARG HD2 5.500 . 5.500 4.067 2.072 5.519 0.019 24 0 "[ . 1 . 2 . 3]" 1
444 1 32 ARG HA 1 39 ARG QG 4.330 . 4.330 3.014 2.023 4.415 0.085 30 0 "[ . 1 . 2 . 3]" 1
445 1 32 ARG HA 1 39 ARG HG3 5.100 . 5.100 3.755 2.035 4.909 . 0 0 "[ . 1 . 2 . 3]" 1
446 1 32 ARG HA 1 39 ARG HG2 5.100 . 5.100 3.710 2.141 5.118 0.018 3 0 "[ . 1 . 2 . 3]" 1
447 1 32 ARG HA 1 45 VAL QG 4.840 . 4.840 4.265 3.959 4.799 . 0 0 "[ . 1 . 2 . 3]" 1
448 1 32 ARG HA 1 47 ARG HA 5.100 . 5.100 4.178 3.642 4.371 . 0 0 "[ . 1 . 2 . 3]" 1
449 1 32 ARG HB3 1 33 GLY H 3.980 . 3.980 3.697 3.576 3.876 . 0 0 "[ . 1 . 2 . 3]" 1
450 1 32 ARG HB2 1 33 GLY HA3 5.500 . 5.500 5.203 4.898 5.497 . 0 0 "[ . 1 . 2 . 3]" 1
451 1 32 ARG HB2 1 33 GLY H 4.510 . 4.510 4.355 4.221 4.433 . 0 0 "[ . 1 . 2 . 3]" 1
452 1 32 ARG HB2 1 45 VAL QG 5.110 . 5.110 3.311 2.557 4.106 . 0 0 "[ . 1 . 2 . 3]" 1
453 1 32 ARG HB2 1 47 ARG HA 4.680 . 4.680 3.889 3.393 4.534 . 0 0 "[ . 1 . 2 . 3]" 1
454 1 32 ARG QG 1 36 ALA MB 4.880 . 4.880 4.572 4.039 4.890 0.010 1 0 "[ . 1 . 2 . 3]" 1
455 1 32 ARG QG 1 45 VAL QG 4.770 . 4.770 2.311 1.818 3.287 . 0 0 "[ . 1 . 2 . 3]" 1
456 1 32 ARG H 1 32 ARG HB3 3.950 . 3.950 3.780 3.690 3.873 . 0 0 "[ . 1 . 2 . 3]" 1
457 1 32 ARG H 1 32 ARG HB2 3.840 . 3.840 2.666 2.537 2.834 . 0 0 "[ . 1 . 2 . 3]" 1
458 1 32 ARG H 1 32 ARG QD 4.940 . 4.940 4.490 4.026 4.978 0.038 2 0 "[ . 1 . 2 . 3]" 1
459 1 32 ARG H 1 32 ARG QG 4.080 . 4.080 2.926 2.599 3.222 . 0 0 "[ . 1 . 2 . 3]" 1
460 1 32 ARG H 1 33 GLY H 4.250 . 4.250 4.014 3.880 4.148 . 0 0 "[ . 1 . 2 . 3]" 1
461 1 32 ARG H 1 36 ALA MB 4.620 . 4.620 3.741 3.266 4.085 . 0 0 "[ . 1 . 2 . 3]" 1
462 1 32 ARG H 1 45 VAL QG 3.480 . 3.480 2.614 2.201 3.197 . 0 0 "[ . 1 . 2 . 3]" 1
463 1 32 ARG H 1 45 VAL MG1 4.780 . 4.780 2.972 2.205 4.083 . 0 0 "[ . 1 . 2 . 3]" 1
464 1 32 ARG H 1 45 VAL MG2 4.780 . 4.780 3.805 2.595 4.848 0.068 1 0 "[ . 1 . 2 . 3]" 1
465 1 32 ARG H 1 47 ARG QB 5.340 . 5.340 4.412 3.917 4.958 . 0 0 "[ . 1 . 2 . 3]" 1
466 1 33 GLY HA3 1 34 GLN QG 5.340 . 5.340 4.326 3.593 5.081 . 0 0 "[ . 1 . 2 . 3]" 1
467 1 33 GLY HA3 1 35 ASP H 3.770 . 3.770 3.190 2.771 3.777 0.007 12 0 "[ . 1 . 2 . 3]" 1
468 1 33 GLY HA3 1 47 ARG QG 4.500 . 4.500 4.206 1.941 4.597 0.097 1 0 "[ . 1 . 2 . 3]" 1
469 1 33 GLY HA2 1 34 GLN HA 4.350 . 4.350 4.301 4.210 4.369 0.019 1 0 "[ . 1 . 2 . 3]" 1
470 1 33 GLY HA2 1 35 ASP H 4.750 . 4.750 4.216 3.662 4.772 0.022 21 0 "[ . 1 . 2 . 3]" 1
471 1 33 GLY HA2 1 47 ARG QB 5.340 . 5.340 3.401 2.963 3.743 . 0 0 "[ . 1 . 2 . 3]" 1
472 1 33 GLY H 1 36 ALA MB 4.060 . 4.060 2.359 1.804 2.762 . 0 0 "[ . 1 . 2 . 3]" 1
473 1 33 GLY H 1 47 ARG QB 4.510 . 4.510 4.384 3.968 4.547 0.037 26 0 "[ . 1 . 2 . 3]" 1
474 1 33 GLY H 1 47 ARG HB3 5.370 . 5.370 5.255 4.075 5.425 0.055 21 0 "[ . 1 . 2 . 3]" 1
475 1 33 GLY H 1 47 ARG HB2 5.370 . 5.370 4.743 4.080 5.522 0.152 2 0 "[ . 1 . 2 . 3]" 1
476 1 34 GLN HA 1 35 ASP H 3.550 . 3.550 3.416 3.268 3.557 0.007 12 0 "[ . 1 . 2 . 3]" 1
477 1 34 GLN QB 1 35 ASP H 4.060 . 4.060 3.280 2.350 3.721 . 0 0 "[ . 1 . 2 . 3]" 1
478 1 34 GLN QB 1 36 ALA H 5.340 . 5.340 4.694 4.370 5.017 . 0 0 "[ . 1 . 2 . 3]" 1
479 1 34 GLN HB3 1 35 ASP H 4.890 . 4.890 4.018 3.485 4.218 . 0 0 "[ . 1 . 2 . 3]" 1
480 1 34 GLN HB2 1 35 ASP H 4.890 . 4.890 3.541 2.389 4.177 . 0 0 "[ . 1 . 2 . 3]" 1
481 1 34 GLN HG3 1 35 ASP H 5.500 . 5.500 3.700 1.862 5.357 . 0 0 "[ . 1 . 2 . 3]" 1
482 1 34 GLN HG2 1 35 ASP H 5.500 . 5.500 3.611 2.468 5.221 . 0 0 "[ . 1 . 2 . 3]" 1
483 1 34 GLN H 1 34 GLN QG 4.610 . 4.610 2.282 1.899 3.246 . 0 0 "[ . 1 . 2 . 3]" 1
484 1 34 GLN H 1 34 GLN HG3 5.410 . 5.410 3.186 2.099 3.879 . 0 0 "[ . 1 . 2 . 3]" 1
485 1 34 GLN H 1 34 GLN HG2 5.410 . 5.410 2.613 1.911 3.785 . 0 0 "[ . 1 . 2 . 3]" 1
486 1 35 ASP QB 1 36 ALA H 4.130 . 4.130 3.138 2.443 3.856 . 0 0 "[ . 1 . 2 . 3]" 1
487 1 35 ASP HB3 1 36 ALA H 4.930 . 4.930 3.783 2.835 4.353 . 0 0 "[ . 1 . 2 . 3]" 1
488 1 35 ASP HB2 1 36 ALA H 4.930 . 4.930 3.589 2.480 4.305 . 0 0 "[ . 1 . 2 . 3]" 1
489 1 35 ASP H 1 35 ASP QB 3.160 . 3.160 2.433 2.164 2.750 . 0 0 "[ . 1 . 2 . 3]" 1
490 1 35 ASP H 1 36 ALA MB 4.270 . 4.270 3.967 3.752 4.162 . 0 0 "[ . 1 . 2 . 3]" 1
491 1 35 ASP H 1 36 ALA H 3.180 . 3.180 2.360 2.153 2.702 . 0 0 "[ . 1 . 2 . 3]" 1
492 1 36 ALA HA 1 37 GLN QG 5.280 . 5.280 3.644 3.344 4.784 . 0 0 "[ . 1 . 2 . 3]" 1
493 1 36 ALA HA 1 37 GLN H 2.850 . 2.850 2.214 1.996 2.496 . 0 0 "[ . 1 . 2 . 3]" 1
494 1 36 ALA HA 1 38 PHE H 4.410 . 4.410 3.985 3.430 4.446 0.036 15 0 "[ . 1 . 2 . 3]" 1
495 1 36 ALA MB 1 37 GLN H 3.260 . 3.260 2.784 2.283 3.292 0.032 19 0 "[ . 1 . 2 . 3]" 1
496 1 36 ALA MB 1 38 PHE H 3.710 . 3.710 3.255 2.596 3.713 0.003 28 0 "[ . 1 . 2 . 3]" 1
497 1 36 ALA MB 1 39 ARG QD 5.330 . 5.330 3.389 2.197 4.762 . 0 0 "[ . 1 . 2 . 3]" 1
498 1 36 ALA MB 1 39 ARG H 5.190 . 5.190 4.730 4.343 5.233 0.043 21 0 "[ . 1 . 2 . 3]" 1
499 1 36 ALA MB 1 48 ARG HG3 4.820 . 4.820 4.574 3.825 4.874 0.054 2 0 "[ . 1 . 2 . 3]" 1
500 1 36 ALA H 1 36 ALA MB 2.830 . 2.830 2.273 2.188 2.506 . 0 0 "[ . 1 . 2 . 3]" 1
501 1 36 ALA H 1 48 ARG HG3 5.500 . 5.500 5.297 4.541 5.544 0.044 15 0 "[ . 1 . 2 . 3]" 1
502 1 37 GLN HA 1 37 GLN QG 3.260 . 3.260 2.837 2.386 3.108 . 0 0 "[ . 1 . 2 . 3]" 1
503 1 37 GLN HA 1 37 GLN HG3 3.850 . 3.850 3.543 2.489 3.861 0.011 22 0 "[ . 1 . 2 . 3]" 1
504 1 37 GLN HA 1 37 GLN HG2 3.850 . 3.850 3.020 2.537 3.626 . 0 0 "[ . 1 . 2 . 3]" 1
505 1 37 GLN QB 1 38 PHE QB 4.080 . 4.080 3.344 3.178 3.651 . 0 0 "[ . 1 . 2 . 3]" 1
506 1 37 GLN QB 1 38 PHE H 4.000 . 4.000 2.445 2.096 3.047 . 0 0 "[ . 1 . 2 . 3]" 1
507 1 37 GLN HB3 1 38 PHE H 4.590 . 4.590 3.558 3.156 3.960 . 0 0 "[ . 1 . 2 . 3]" 1
508 1 37 GLN HB2 1 38 PHE H 4.590 . 4.590 2.494 2.124 3.168 . 0 0 "[ . 1 . 2 . 3]" 1
509 1 37 GLN H 1 37 GLN QB 3.010 . 3.010 2.383 2.282 2.482 . 0 0 "[ . 1 . 2 . 3]" 1
510 1 37 GLN H 1 37 GLN HB3 3.540 . 3.540 3.590 3.552 3.637 0.097 10 0 "[ . 1 . 2 . 3]" 1
511 1 37 GLN H 1 37 GLN HB2 3.540 . 3.540 2.419 2.310 2.530 . 0 0 "[ . 1 . 2 . 3]" 1
512 1 37 GLN H 1 37 GLN QG 3.720 . 3.720 2.568 2.181 3.148 . 0 0 "[ . 1 . 2 . 3]" 1
513 1 37 GLN H 1 37 GLN HG3 4.380 . 4.380 3.549 2.201 4.148 . 0 0 "[ . 1 . 2 . 3]" 1
514 1 37 GLN H 1 37 GLN HG2 4.380 . 4.380 2.926 2.262 4.059 . 0 0 "[ . 1 . 2 . 3]" 1
515 1 37 GLN H 1 38 PHE QB 4.810 . 4.810 4.138 3.801 4.470 . 0 0 "[ . 1 . 2 . 3]" 1
516 1 37 GLN H 1 38 PHE H 3.080 . 3.080 2.152 1.931 2.480 . 0 0 "[ . 1 . 2 . 3]" 1
517 1 38 PHE HA 1 38 PHE QD 3.660 . 3.660 2.785 2.432 3.234 . 0 0 "[ . 1 . 2 . 3]" 1
518 1 38 PHE HA 1 39 ARG H 2.780 . 2.780 2.123 2.038 2.229 . 0 0 "[ . 1 . 2 . 3]" 1
519 1 38 PHE QB 1 39 ARG H 4.430 . 4.430 3.817 3.683 3.905 . 0 0 "[ . 1 . 2 . 3]" 1
520 1 38 PHE QD 1 39 ARG H 3.690 . 3.690 3.591 3.077 3.755 0.065 25 0 "[ . 1 . 2 . 3]" 1
521 1 38 PHE QD 1 40 LEU QB 5.340 . 5.340 5.254 4.877 5.402 0.062 30 0 "[ . 1 . 2 . 3]" 1
522 1 38 PHE QD 1 40 LEU QD 3.890 . 3.890 3.102 2.114 3.464 . 0 0 "[ . 1 . 2 . 3]" 1
523 1 38 PHE QD 1 40 LEU MD1 4.850 . 4.850 4.459 2.664 4.868 0.018 23 0 "[ . 1 . 2 . 3]" 1
524 1 38 PHE QD 1 40 LEU MD2 4.850 . 4.850 3.298 2.135 4.909 0.059 3 0 "[ . 1 . 2 . 3]" 1
525 1 38 PHE QD 1 40 LEU HG 4.570 . 4.570 3.713 3.146 4.661 0.091 25 0 "[ . 1 . 2 . 3]" 1
526 1 38 PHE QD 1 41 PRO QD 5.340 . 5.340 5.386 5.330 5.446 0.106 16 0 "[ . 1 . 2 . 3]" 1
527 1 38 PHE QE 1 40 LEU QD 4.500 . 4.500 2.062 1.886 2.718 . 0 0 "[ . 1 . 2 . 3]" 1
528 1 38 PHE QE 1 40 LEU MD1 5.360 . 5.360 4.027 1.994 4.563 . 0 0 "[ . 1 . 2 . 3]" 1
529 1 38 PHE QE 1 40 LEU MD2 5.360 . 5.360 2.152 1.889 3.795 . 0 0 "[ . 1 . 2 . 3]" 1
530 1 38 PHE QE 1 40 LEU HG 4.710 . 4.710 3.628 2.420 4.037 . 0 0 "[ . 1 . 2 . 3]" 1
531 1 38 PHE H 1 38 PHE HB3 3.970 . 3.970 2.469 2.361 2.636 . 0 0 "[ . 1 . 2 . 3]" 1
532 1 38 PHE H 1 38 PHE HB2 3.970 . 3.970 2.994 2.694 3.259 . 0 0 "[ . 1 . 2 . 3]" 1
533 1 38 PHE H 1 39 ARG H 4.590 . 4.590 4.216 4.050 4.394 . 0 0 "[ . 1 . 2 . 3]" 1
534 1 39 ARG HA 1 39 ARG QD 4.560 . 4.560 3.361 2.089 4.215 . 0 0 "[ . 1 . 2 . 3]" 1
535 1 39 ARG HA 1 39 ARG HD3 5.310 . 5.310 3.793 2.119 4.906 . 0 0 "[ . 1 . 2 . 3]" 1
536 1 39 ARG HA 1 39 ARG HD2 5.310 . 5.310 4.021 2.263 4.790 . 0 0 "[ . 1 . 2 . 3]" 1
537 1 39 ARG HA 1 40 LEU H 2.960 . 2.960 2.119 2.033 2.285 . 0 0 "[ . 1 . 2 . 3]" 1
538 1 39 ARG QB 1 39 ARG QD 3.280 . 3.280 2.353 2.078 2.820 . 0 0 "[ . 1 . 2 . 3]" 1
539 1 39 ARG H 1 39 ARG QB 3.010 . 3.010 2.512 2.230 3.129 0.119 3 0 "[ . 1 . 2 . 3]" 1
540 1 39 ARG H 1 39 ARG HB3 3.650 . 3.650 3.510 2.473 3.687 0.037 10 0 "[ . 1 . 2 . 3]" 1
541 1 39 ARG H 1 39 ARG HB2 3.650 . 3.650 2.658 2.335 3.705 0.055 23 0 "[ . 1 . 2 . 3]" 1
542 1 39 ARG H 1 39 ARG HD3 5.500 . 5.500 3.851 1.837 5.163 . 0 0 "[ . 1 . 2 . 3]" 1
543 1 39 ARG H 1 39 ARG HD2 5.500 . 5.500 4.266 2.207 5.122 . 0 0 "[ . 1 . 2 . 3]" 1
544 1 39 ARG H 1 39 ARG QG 4.750 . 4.750 2.931 2.076 4.059 . 0 0 "[ . 1 . 2 . 3]" 1
545 1 39 ARG H 1 39 ARG HG3 5.450 . 5.450 3.435 2.386 4.583 . 0 0 "[ . 1 . 2 . 3]" 1
546 1 39 ARG H 1 39 ARG HG2 5.450 . 5.450 3.589 2.114 4.596 . 0 0 "[ . 1 . 2 . 3]" 1
547 1 39 ARG H 1 40 LEU H 4.670 . 4.670 4.383 4.273 4.521 . 0 0 "[ . 1 . 2 . 3]" 1
548 1 40 LEU HA 1 40 LEU QD 3.570 . 3.570 2.038 1.932 2.854 . 0 0 "[ . 1 . 2 . 3]" 1
549 1 40 LEU HA 1 40 LEU HG 3.910 . 3.910 3.025 2.406 3.747 . 0 0 "[ . 1 . 2 . 3]" 1
550 1 40 LEU HA 1 41 PRO HD3 3.390 . 3.390 1.934 1.782 2.169 0.018 28 0 "[ . 1 . 2 . 3]" 1
551 1 40 LEU HA 1 41 PRO HD2 3.390 . 3.390 2.740 2.397 3.236 . 0 0 "[ . 1 . 2 . 3]" 1
552 1 40 LEU HA 1 45 VAL QG 5.420 . 5.420 4.402 4.102 5.059 . 0 0 "[ . 1 . 2 . 3]" 1
553 1 40 LEU QB 1 41 PRO QD 4.230 . 4.230 2.619 2.200 3.176 . 0 0 "[ . 1 . 2 . 3]" 1
554 1 40 LEU QB 1 42 ASP H 3.870 . 3.870 2.535 2.089 2.971 . 0 0 "[ . 1 . 2 . 3]" 1
555 1 40 LEU QB 1 45 VAL QG 3.450 . 3.450 2.075 1.829 2.740 . 0 0 "[ . 1 . 2 . 3]" 1
556 1 40 LEU HB3 1 45 VAL MG1 5.820 . 5.820 3.561 2.322 4.521 . 0 0 "[ . 1 . 2 . 3]" 1
557 1 40 LEU HB3 1 45 VAL MG2 5.820 . 5.820 3.444 2.638 4.344 . 0 0 "[ . 1 . 2 . 3]" 1
558 1 40 LEU HB2 1 45 VAL MG1 5.820 . 5.820 2.389 1.986 3.495 . 0 0 "[ . 1 . 2 . 3]" 1
559 1 40 LEU HB2 1 45 VAL MG2 5.820 . 5.820 2.557 2.074 3.215 . 0 0 "[ . 1 . 2 . 3]" 1
560 1 40 LEU QD 1 41 PRO QB 5.280 . 5.280 4.929 4.656 5.375 0.095 3 0 "[ . 1 . 2 . 3]" 1
561 1 40 LEU QD 1 41 PRO QD 3.610 . 3.610 2.543 2.268 3.192 . 0 0 "[ . 1 . 2 . 3]" 1
562 1 40 LEU QD 1 45 VAL HA 5.440 . 5.440 4.379 3.424 5.335 . 0 0 "[ . 1 . 2 . 3]" 1
563 1 40 LEU QD 1 45 VAL QG 4.330 . 4.330 1.929 1.765 2.584 0.035 26 0 "[ . 1 . 2 . 3]" 1
564 1 40 LEU MD1 1 41 PRO HD3 4.890 . 4.890 4.768 3.036 5.025 0.135 28 0 "[ . 1 . 2 . 3]" 1
565 1 40 LEU MD1 1 41 PRO HD2 4.890 . 4.890 4.245 3.088 4.900 0.010 28 0 "[ . 1 . 2 . 3]" 1
566 1 40 LEU MD2 1 41 PRO HD3 4.890 . 4.890 2.998 2.436 4.588 . 0 0 "[ . 1 . 2 . 3]" 1
567 1 40 LEU MD2 1 41 PRO HD2 4.890 . 4.890 2.957 2.459 4.872 . 0 0 "[ . 1 . 2 . 3]" 1
568 1 40 LEU H 1 40 LEU QB 3.350 . 3.350 2.361 2.294 2.407 . 0 0 "[ . 1 . 2 . 3]" 1
569 1 40 LEU H 1 40 LEU QD 3.970 . 3.970 3.216 1.989 3.453 . 0 0 "[ . 1 . 2 . 3]" 1
570 1 40 LEU H 1 40 LEU MD1 4.600 . 4.600 3.731 1.994 4.002 . 0 0 "[ . 1 . 2 . 3]" 1
571 1 40 LEU H 1 40 LEU MD2 4.600 . 4.600 3.638 2.224 4.145 . 0 0 "[ . 1 . 2 . 3]" 1
572 1 40 LEU H 1 40 LEU HG 4.520 . 4.520 2.878 2.450 4.056 . 0 0 "[ . 1 . 2 . 3]" 1
573 1 41 PRO QB 1 42 ASP H 3.960 . 3.960 3.602 2.616 3.982 0.022 23 0 "[ . 1 . 2 . 3]" 1
574 1 41 PRO QD 1 42 ASP H 4.180 . 4.180 2.904 2.375 3.695 . 0 0 "[ . 1 . 2 . 3]" 1
575 1 42 ASP HA 1 43 THR H 3.240 . 3.240 2.555 2.238 2.757 . 0 0 "[ . 1 . 2 . 3]" 1
576 1 42 ASP HA 1 45 VAL QG 5.440 . 5.440 4.731 4.065 5.107 . 0 0 "[ . 1 . 2 . 3]" 1
577 1 42 ASP HB3 1 43 THR HA 4.430 . 4.430 4.410 4.187 4.515 0.085 24 0 "[ . 1 . 2 . 3]" 1
578 1 42 ASP HB3 1 43 THR HB 5.500 . 5.500 5.259 4.395 5.615 0.115 2 0 "[ . 1 . 2 . 3]" 1
579 1 42 ASP HB3 1 43 THR H 4.530 . 4.530 2.718 1.875 3.633 . 0 0 "[ . 1 . 2 . 3]" 1
580 1 42 ASP H 1 42 ASP HB2 3.150 . 3.150 2.713 2.322 3.176 0.026 13 0 "[ . 1 . 2 . 3]" 1
581 1 42 ASP H 1 45 VAL HB 5.500 . 5.500 5.267 4.595 5.578 0.078 30 0 "[ . 1 . 2 . 3]" 1
582 1 42 ASP H 1 45 VAL QG 4.420 . 4.420 3.602 2.684 4.415 . 0 0 "[ . 1 . 2 . 3]" 1
583 1 43 THR HA 1 43 THR MG 3.410 . 3.410 2.720 2.265 3.239 . 0 0 "[ . 1 . 2 . 3]" 1
584 1 43 THR HA 1 45 VAL H 4.550 . 4.550 3.008 2.638 3.558 . 0 0 "[ . 1 . 2 . 3]" 1
585 1 43 THR H 1 43 THR MG 3.750 . 3.750 3.065 2.040 3.837 0.087 16 0 "[ . 1 . 2 . 3]" 1
586 1 43 THR H 1 44 GLY H 4.590 . 4.590 4.442 4.328 4.525 . 0 0 "[ . 1 . 2 . 3]" 1
587 1 44 GLY H 1 45 VAL HA 5.300 . 5.300 4.870 4.665 5.173 . 0 0 "[ . 1 . 2 . 3]" 1
588 1 44 GLY H 1 45 VAL QG 4.520 . 4.520 3.542 2.776 3.984 . 0 0 "[ . 1 . 2 . 3]" 1
589 1 44 GLY H 1 45 VAL H 3.570 . 3.570 2.261 1.909 2.653 . 0 0 "[ . 1 . 2 . 3]" 1
590 1 45 VAL HA 1 45 VAL MG1 3.400 . 3.400 2.835 2.332 3.243 . 0 0 "[ . 1 . 2 . 3]" 1
591 1 45 VAL HA 1 45 VAL MG2 3.400 . 3.400 2.445 2.375 2.509 . 0 0 "[ . 1 . 2 . 3]" 1
592 1 45 VAL HA 1 46 SER H 3.020 . 3.020 2.197 2.063 2.339 . 0 0 "[ . 1 . 2 . 3]" 1
593 1 45 VAL HA 1 49 HIS HB2 5.190 . 5.190 3.588 3.080 4.308 . 0 0 "[ . 1 . 2 . 3]" 1
594 1 45 VAL HB 1 46 SER H 4.410 . 4.410 4.099 3.862 4.314 . 0 0 "[ . 1 . 2 . 3]" 1
595 1 45 VAL HB 1 49 HIS HB3 5.340 . 5.340 5.274 4.760 5.425 0.085 24 0 "[ . 1 . 2 . 3]" 1
596 1 45 VAL QG 1 46 SER H 3.270 . 3.270 2.541 2.259 2.905 . 0 0 "[ . 1 . 2 . 3]" 1
597 1 45 VAL QG 1 49 HIS HB2 3.900 . 3.900 2.090 1.824 2.462 . 0 0 "[ . 1 . 2 . 3]" 1
598 1 45 VAL QG 1 49 HIS HE1 4.860 . 4.860 3.915 3.145 4.789 . 0 0 "[ . 1 . 2 . 3]" 1
599 1 45 VAL QG 1 49 HIS H 4.250 . 4.250 3.902 3.640 4.128 . 0 0 "[ . 1 . 2 . 3]" 1
600 1 45 VAL MG1 1 46 SER H 4.110 . 4.110 3.320 2.271 4.121 0.011 19 0 "[ . 1 . 2 . 3]" 1
601 1 45 VAL MG2 1 46 SER H 4.110 . 4.110 3.255 2.320 4.153 0.043 16 0 "[ . 1 . 2 . 3]" 1
602 1 45 VAL H 1 45 VAL HB 3.360 . 3.360 2.660 2.398 3.059 . 0 0 "[ . 1 . 2 . 3]" 1
603 1 45 VAL H 1 45 VAL QG 3.380 . 3.380 2.051 1.799 2.315 0.001 12 0 "[ . 1 . 2 . 3]" 1
604 1 45 VAL H 1 45 VAL MG1 4.110 . 4.110 2.791 1.803 3.800 . 0 0 "[ . 1 . 2 . 3]" 1
605 1 45 VAL H 1 45 VAL MG2 4.110 . 4.110 3.034 1.990 3.826 . 0 0 "[ . 1 . 2 . 3]" 1
606 1 45 VAL H 1 46 SER H 4.770 . 4.770 4.465 4.195 4.603 . 0 0 "[ . 1 . 2 . 3]" 1
607 1 46 SER HA 1 47 ARG HA 5.260 . 5.260 4.372 4.296 4.435 . 0 0 "[ . 1 . 2 . 3]" 1
608 1 46 SER QB 1 47 ARG QG 4.970 . 4.970 3.467 2.996 4.209 . 0 0 "[ . 1 . 2 . 3]" 1
609 1 46 SER QB 1 48 ARG H 3.750 . 3.750 2.799 2.453 3.109 . 0 0 "[ . 1 . 2 . 3]" 1
610 1 46 SER HB3 1 48 ARG H 4.620 . 4.620 3.192 2.843 4.504 . 0 0 "[ . 1 . 2 . 3]" 1
611 1 46 SER HB2 1 48 ARG H 4.620 . 4.620 3.207 2.665 4.412 . 0 0 "[ . 1 . 2 . 3]" 1
612 1 46 SER H 1 46 SER HB3 3.740 . 3.740 3.440 2.447 3.631 . 0 0 "[ . 1 . 2 . 3]" 1
613 1 46 SER H 1 46 SER HB2 3.740 . 3.740 2.530 2.417 3.397 . 0 0 "[ . 1 . 2 . 3]" 1
614 1 46 SER H 1 49 HIS HB2 3.680 . 3.680 2.537 1.921 3.323 . 0 0 "[ . 1 . 2 . 3]" 1
615 1 47 ARG HA 1 47 ARG QD 4.430 . 4.430 4.347 4.202 4.488 0.058 5 0 "[ . 1 . 2 . 3]" 1
616 1 47 ARG HA 1 47 ARG QG 3.490 . 3.490 3.335 2.600 3.396 . 0 0 "[ . 1 . 2 . 3]" 1
617 1 47 ARG QB 1 47 ARG QD 3.200 . 3.200 2.186 2.041 2.353 . 0 0 "[ . 1 . 2 . 3]" 1
618 1 48 ARG HA 1 48 ARG QD 4.760 . 4.760 4.081 3.813 4.313 . 0 0 "[ . 1 . 2 . 3]" 1
619 1 48 ARG HA 1 49 HIS H 2.870 . 2.870 2.095 1.972 2.188 . 0 0 "[ . 1 . 2 . 3]" 1
620 1 48 ARG HA 1 50 LEU H 3.970 . 3.970 3.576 3.357 3.853 . 0 0 "[ . 1 . 2 . 3]" 1
621 1 48 ARG QB 1 48 ARG QD 3.260 . 3.260 2.237 2.043 2.409 . 0 0 "[ . 1 . 2 . 3]" 1
622 1 48 ARG QB 1 49 HIS H 4.130 . 4.130 3.475 3.226 3.674 . 0 0 "[ . 1 . 2 . 3]" 1
623 1 48 ARG QD 1 64 LEU QD 3.780 . 3.780 3.371 1.971 3.962 0.182 14 0 "[ . 1 . 2 . 3]" 1
624 1 48 ARG QD 1 64 LEU HG 5.340 . 5.340 3.868 2.539 5.382 0.042 19 0 "[ . 1 . 2 . 3]" 1
625 1 48 ARG HG2 1 49 HIS H 5.160 . 5.160 4.564 4.234 4.851 . 0 0 "[ . 1 . 2 . 3]" 1
626 1 48 ARG H 1 48 ARG QB 3.450 . 3.450 2.580 2.404 2.711 . 0 0 "[ . 1 . 2 . 3]" 1
627 1 48 ARG H 1 48 ARG HG3 3.580 . 3.580 3.120 2.733 3.399 . 0 0 "[ . 1 . 2 . 3]" 1
628 1 48 ARG H 1 48 ARG HG2 4.710 . 4.710 4.061 3.868 4.356 . 0 0 "[ . 1 . 2 . 3]" 1
629 1 49 HIS HA 1 49 HIS HD2 5.020 . 5.020 4.186 3.724 4.497 . 0 0 "[ . 1 . 2 . 3]" 1
630 1 49 HIS HB3 1 50 LEU HB3 4.300 . 4.300 3.782 3.505 4.110 . 0 0 "[ . 1 . 2 . 3]" 1
631 1 49 HIS HB3 1 50 LEU H 3.360 . 3.360 2.761 2.429 3.016 . 0 0 "[ . 1 . 2 . 3]" 1
632 1 49 HIS HD2 1 50 LEU HA 4.560 . 4.560 4.306 3.993 4.553 . 0 0 "[ . 1 . 2 . 3]" 1
633 1 49 HIS HD2 1 50 LEU HB3 3.840 . 3.840 2.500 2.210 2.768 . 0 0 "[ . 1 . 2 . 3]" 1
634 1 49 HIS HD2 1 50 LEU HB2 3.400 . 3.400 2.359 2.159 2.595 . 0 0 "[ . 1 . 2 . 3]" 1
635 1 49 HIS HD2 1 50 LEU MD1 3.950 . 3.950 3.234 3.028 3.451 . 0 0 "[ . 1 . 2 . 3]" 1
636 1 49 HIS HD2 1 50 LEU H 4.540 . 4.540 3.799 3.576 3.956 . 0 0 "[ . 1 . 2 . 3]" 1
637 1 49 HIS HD2 1 90 LEU MD1 4.870 . 4.870 2.805 2.285 4.074 . 0 0 "[ . 1 . 2 . 3]" 1
638 1 49 HIS HE1 1 90 LEU HA 5.120 . 5.120 4.687 3.947 5.150 0.030 28 0 "[ . 1 . 2 . 3]" 1
639 1 49 HIS HE1 1 90 LEU QB 4.900 . 4.900 3.559 2.837 4.315 . 0 0 "[ . 1 . 2 . 3]" 1
640 1 49 HIS HE1 1 90 LEU MD1 5.120 . 5.120 4.343 2.991 5.152 0.032 9 0 "[ . 1 . 2 . 3]" 1
641 1 49 HIS HE1 1 91 GLY H 4.550 . 4.550 3.084 2.280 4.588 0.038 12 0 "[ . 1 . 2 . 3]" 1
642 1 49 HIS HE2 1 50 LEU HB3 4.850 . 4.850 4.737 4.242 4.904 0.054 1 0 "[ . 1 . 2 . 3]" 1
643 1 49 HIS HE2 1 50 LEU MD1 4.460 . 4.460 3.903 3.113 4.409 . 0 0 "[ . 1 . 2 . 3]" 1
644 1 49 HIS HE2 1 70 THR HB 5.380 . 5.380 4.315 3.898 5.073 . 0 0 "[ . 1 . 2 . 3]" 1
645 1 49 HIS HE2 1 70 THR HG1 3.860 . 3.860 2.535 2.094 3.194 . 0 0 "[ . 1 . 2 . 3]" 1
646 1 49 HIS HE2 1 70 THR MG 4.780 . 4.780 3.755 3.249 4.790 0.010 7 0 "[ . 1 . 2 . 3]" 1
647 1 49 HIS HE2 1 90 LEU QB 3.780 . 3.780 2.351 2.000 2.988 . 0 0 "[ . 1 . 2 . 3]" 1
648 1 49 HIS HE2 1 90 LEU HB3 4.440 . 4.440 3.160 2.564 3.963 . 0 0 "[ . 1 . 2 . 3]" 1
649 1 49 HIS HE2 1 90 LEU HB2 4.440 . 4.440 2.486 2.029 3.514 . 0 0 "[ . 1 . 2 . 3]" 1
650 1 49 HIS HE2 1 90 LEU MD1 4.790 . 4.790 3.411 2.629 4.090 . 0 0 "[ . 1 . 2 . 3]" 1
651 1 49 HIS H 1 49 HIS HB2 3.300 . 3.300 2.943 2.744 3.163 . 0 0 "[ . 1 . 2 . 3]" 1
652 1 49 HIS H 1 50 LEU H 3.160 . 3.160 2.035 1.919 2.167 . 0 0 "[ . 1 . 2 . 3]" 1
653 1 49 HIS H 1 64 LEU QB 4.060 . 4.060 3.988 3.764 4.195 0.135 20 0 "[ . 1 . 2 . 3]" 1
654 1 49 HIS H 1 64 LEU QD 4.920 . 4.920 4.449 3.909 4.905 . 0 0 "[ . 1 . 2 . 3]" 1
655 1 49 HIS H 1 64 LEU HG 5.140 . 5.140 5.198 4.857 5.244 0.104 13 0 "[ . 1 . 2 . 3]" 1
656 1 50 LEU HA 1 50 LEU MD1 3.940 . 3.940 3.629 3.553 3.717 . 0 0 "[ . 1 . 2 . 3]" 1
657 1 50 LEU HA 1 50 LEU HG 3.860 . 3.860 2.705 2.635 2.815 . 0 0 "[ . 1 . 2 . 3]" 1
658 1 50 LEU HA 1 51 GLU H 2.920 . 2.920 2.250 2.148 2.409 . 0 0 "[ . 1 . 2 . 3]" 1
659 1 50 LEU HA 1 63 ASP HA 3.990 . 3.990 2.566 2.053 2.848 . 0 0 "[ . 1 . 2 . 3]" 1
660 1 50 LEU HA 1 64 LEU HA 5.310 . 5.310 4.681 4.314 4.971 . 0 0 "[ . 1 . 2 . 3]" 1
661 1 50 LEU HA 1 64 LEU QB 3.420 . 3.420 2.935 2.338 3.449 0.029 29 0 "[ . 1 . 2 . 3]" 1
662 1 50 LEU HA 1 64 LEU H 3.580 . 3.580 2.335 1.889 2.499 . 0 0 "[ . 1 . 2 . 3]" 1
663 1 50 LEU HB3 1 51 GLU H 4.420 . 4.420 3.984 3.808 4.089 . 0 0 "[ . 1 . 2 . 3]" 1
664 1 50 LEU HB3 1 63 ASP HA 4.400 . 4.400 4.237 3.947 4.423 0.023 9 0 "[ . 1 . 2 . 3]" 1
665 1 50 LEU HB3 1 64 LEU H 4.560 . 4.560 4.539 4.335 4.612 0.052 29 0 "[ . 1 . 2 . 3]" 1
666 1 50 LEU HB3 1 90 LEU MD1 5.500 . 5.500 3.612 2.559 5.532 0.032 12 0 "[ . 1 . 2 . 3]" 1
667 1 50 LEU HB2 1 50 LEU MD1 3.670 . 3.670 2.120 2.089 2.149 . 0 0 "[ . 1 . 2 . 3]" 1
668 1 50 LEU HB2 1 63 ASP HA 3.660 . 3.660 2.763 2.400 2.985 . 0 0 "[ . 1 . 2 . 3]" 1
669 1 50 LEU HB2 1 63 ASP QB 5.160 . 5.160 4.117 3.727 4.399 . 0 0 "[ . 1 . 2 . 3]" 1
670 1 50 LEU MD1 1 51 GLU H 4.160 . 4.160 4.066 3.964 4.163 0.003 15 0 "[ . 1 . 2 . 3]" 1
671 1 50 LEU MD1 1 63 ASP HA 3.770 . 3.770 2.718 2.338 3.092 . 0 0 "[ . 1 . 2 . 3]" 1
672 1 50 LEU MD1 1 63 ASP QB 4.590 . 4.590 2.927 2.392 3.836 . 0 0 "[ . 1 . 2 . 3]" 1
673 1 50 LEU MD1 1 64 LEU H 4.590 . 4.590 4.111 3.788 4.565 . 0 0 "[ . 1 . 2 . 3]" 1
674 1 50 LEU MD2 1 51 GLU H 4.090 . 4.090 2.805 2.527 2.995 . 0 0 "[ . 1 . 2 . 3]" 1
675 1 50 LEU HG 1 51 GLU QG 4.310 . 4.310 4.331 4.217 4.367 0.057 28 0 "[ . 1 . 2 . 3]" 1
676 1 50 LEU HG 1 51 GLU H 3.360 . 3.360 2.400 2.269 2.516 . 0 0 "[ . 1 . 2 . 3]" 1
677 1 50 LEU HG 1 63 ASP QB 5.300 . 5.300 4.051 3.557 4.831 . 0 0 "[ . 1 . 2 . 3]" 1
678 1 50 LEU HG 1 64 LEU H 4.520 . 4.520 4.203 3.951 4.467 . 0 0 "[ . 1 . 2 . 3]" 1
679 1 50 LEU H 1 50 LEU HB3 4.080 . 4.080 2.912 2.780 2.988 . 0 0 "[ . 1 . 2 . 3]" 1
680 1 50 LEU H 1 50 LEU HB2 3.930 . 3.930 3.458 3.380 3.550 . 0 0 "[ . 1 . 2 . 3]" 1
681 1 50 LEU H 1 50 LEU MD1 5.500 . 5.500 4.819 4.748 4.874 . 0 0 "[ . 1 . 2 . 3]" 1
682 1 50 LEU H 1 50 LEU MD2 4.290 . 4.290 4.005 3.930 4.085 . 0 0 "[ . 1 . 2 . 3]" 1
683 1 50 LEU H 1 64 LEU QB 4.090 . 4.090 3.620 3.413 3.949 . 0 0 "[ . 1 . 2 . 3]" 1
684 1 50 LEU H 1 64 LEU QD 4.990 . 4.990 4.187 3.108 5.041 0.051 16 0 "[ . 1 . 2 . 3]" 1
685 1 50 LEU H 1 64 LEU HG 5.500 . 5.500 5.091 4.041 5.512 0.012 25 0 "[ . 1 . 2 . 3]" 1
686 1 51 GLU HA 1 51 GLU QG 3.620 . 3.620 3.335 3.306 3.366 . 0 0 "[ . 1 . 2 . 3]" 1
687 1 51 GLU HA 1 52 ILE H 3.210 . 3.210 2.121 2.030 2.243 . 0 0 "[ . 1 . 2 . 3]" 1
688 1 51 GLU HB2 1 52 ILE H 3.990 . 3.990 3.027 2.673 3.376 . 0 0 "[ . 1 . 2 . 3]" 1
689 1 51 GLU QG 1 62 ALA H 4.160 . 4.160 3.454 2.926 4.002 . 0 0 "[ . 1 . 2 . 3]" 1
690 1 51 GLU HG3 1 52 ILE H 5.500 . 5.500 4.290 3.915 4.637 . 0 0 "[ . 1 . 2 . 3]" 1
691 1 51 GLU HG2 1 52 ILE H 5.500 . 5.500 5.033 4.722 5.305 . 0 0 "[ . 1 . 2 . 3]" 1
692 1 51 GLU H 1 51 GLU HB3 3.790 . 3.790 3.339 3.224 3.481 . 0 0 "[ . 1 . 2 . 3]" 1
693 1 51 GLU H 1 51 GLU QG 3.590 . 3.590 2.320 2.185 2.412 . 0 0 "[ . 1 . 2 . 3]" 1
694 1 51 GLU H 1 51 GLU HG3 4.160 . 4.160 3.031 2.634 3.505 . 0 0 "[ . 1 . 2 . 3]" 1
695 1 51 GLU H 1 51 GLU HG2 4.160 . 4.160 2.418 2.265 2.573 . 0 0 "[ . 1 . 2 . 3]" 1
696 1 51 GLU H 1 61 LEU QD 4.580 . 4.580 4.010 3.705 4.292 . 0 0 "[ . 1 . 2 . 3]" 1
697 1 51 GLU H 1 62 ALA H 3.990 . 3.990 3.311 3.036 3.556 . 0 0 "[ . 1 . 2 . 3]" 1
698 1 51 GLU H 1 64 LEU QB 5.340 . 5.340 4.170 3.328 5.110 . 0 0 "[ . 1 . 2 . 3]" 1
699 1 51 GLU H 1 64 LEU H 4.260 . 4.260 4.262 3.878 4.339 0.079 8 0 "[ . 1 . 2 . 3]" 1
700 1 52 ILE HA 1 52 ILE MD 3.890 . 3.890 3.865 3.832 3.894 0.004 7 0 "[ . 1 . 2 . 3]" 1
701 1 52 ILE HA 1 52 ILE HG12 3.730 . 3.730 2.576 2.524 2.635 . 0 0 "[ . 1 . 2 . 3]" 1
702 1 52 ILE HA 1 53 ARG H 2.930 . 2.930 2.116 2.082 2.163 . 0 0 "[ . 1 . 2 . 3]" 1
703 1 52 ILE HA 1 60 LEU H 5.440 . 5.440 4.907 4.525 5.227 . 0 0 "[ . 1 . 2 . 3]" 1
704 1 52 ILE HA 1 61 LEU HA 3.460 . 3.460 2.619 2.174 2.883 . 0 0 "[ . 1 . 2 . 3]" 1
705 1 52 ILE HA 1 61 LEU H 5.500 . 5.500 4.923 4.747 5.173 . 0 0 "[ . 1 . 2 . 3]" 1
706 1 52 ILE HA 1 62 ALA H 3.540 . 3.540 3.144 2.729 3.558 0.018 29 0 "[ . 1 . 2 . 3]" 1
707 1 52 ILE HB 1 52 ILE MD 2.880 . 2.880 2.447 2.431 2.459 . 0 0 "[ . 1 . 2 . 3]" 1
708 1 52 ILE HB 1 53 ARG H 4.980 . 4.980 4.249 4.137 4.326 . 0 0 "[ . 1 . 2 . 3]" 1
709 1 52 ILE HG12 1 62 ALA H 4.960 . 4.960 3.983 3.561 4.587 . 0 0 "[ . 1 . 2 . 3]" 1
710 1 52 ILE MG 1 53 ARG H 3.430 . 3.430 2.867 2.637 3.097 . 0 0 "[ . 1 . 2 . 3]" 1
711 1 52 ILE MG 1 54 TRP HB3 4.520 . 4.520 3.893 3.566 4.352 . 0 0 "[ . 1 . 2 . 3]" 1
712 1 52 ILE MG 1 54 TRP HE3 5.500 . 5.500 4.248 3.874 4.740 . 0 0 "[ . 1 . 2 . 3]" 1
713 1 52 ILE H 1 52 ILE HB 3.610 . 3.610 2.618 2.498 2.691 . 0 0 "[ . 1 . 2 . 3]" 1
714 1 52 ILE H 1 52 ILE MG 3.950 . 3.950 3.808 3.755 3.846 . 0 0 "[ . 1 . 2 . 3]" 1
715 1 53 ARG HA 1 53 ARG QD 4.710 . 4.710 3.929 2.593 4.252 . 0 0 "[ . 1 . 2 . 3]" 1
716 1 53 ARG HA 1 53 ARG HD3 5.490 . 5.490 4.522 2.633 4.885 . 0 0 "[ . 1 . 2 . 3]" 1
717 1 53 ARG HA 1 53 ARG HD2 5.490 . 5.490 4.393 3.274 4.864 . 0 0 "[ . 1 . 2 . 3]" 1
718 1 53 ARG HA 1 53 ARG QG 3.510 . 3.510 2.458 2.329 2.534 . 0 0 "[ . 1 . 2 . 3]" 1
719 1 53 ARG HA 1 54 TRP HA 5.360 . 5.360 4.271 4.200 4.333 . 0 0 "[ . 1 . 2 . 3]" 1
720 1 53 ARG HA 1 54 TRP H 2.900 . 2.900 2.084 2.013 2.161 . 0 0 "[ . 1 . 2 . 3]" 1
721 1 53 ARG QB 1 53 ARG QD 3.370 . 3.370 2.230 2.080 2.690 . 0 0 "[ . 1 . 2 . 3]" 1
722 1 53 ARG QB 1 54 TRP H 4.370 . 4.370 3.766 3.423 3.930 . 0 0 "[ . 1 . 2 . 3]" 1
723 1 53 ARG QG 1 54 TRP H 4.300 . 4.300 3.451 2.907 4.376 0.076 5 0 "[ . 1 . 2 . 3]" 1
724 1 53 ARG H 1 53 ARG QB 3.290 . 3.290 2.416 2.306 2.597 . 0 0 "[ . 1 . 2 . 3]" 1
725 1 53 ARG H 1 53 ARG QG 4.310 . 4.310 3.678 2.163 4.134 . 0 0 "[ . 1 . 2 . 3]" 1
726 1 53 ARG H 1 60 LEU H 3.980 . 3.980 3.562 3.360 3.825 . 0 0 "[ . 1 . 2 . 3]" 1
727 1 53 ARG H 1 61 LEU HA 4.200 . 4.200 3.730 3.186 4.209 0.009 20 0 "[ . 1 . 2 . 3]" 1
728 1 54 TRP HA 1 54 TRP HE3 3.480 . 3.480 2.286 2.077 2.400 . 0 0 "[ . 1 . 2 . 3]" 1
729 1 54 TRP HA 1 54 TRP HZ3 4.590 . 4.590 4.577 4.383 4.649 0.059 26 0 "[ . 1 . 2 . 3]" 1
730 1 54 TRP HA 1 55 ASP H 3.070 . 3.070 2.079 1.997 2.238 . 0 0 "[ . 1 . 2 . 3]" 1
731 1 54 TRP HA 1 59 ALA HA 3.630 . 3.630 2.524 2.290 2.824 . 0 0 "[ . 1 . 2 . 3]" 1
732 1 54 TRP HA 1 59 ALA MB 4.240 . 4.240 3.524 3.196 4.031 . 0 0 "[ . 1 . 2 . 3]" 1
733 1 54 TRP HA 1 60 LEU QD 5.440 . 5.440 5.503 5.149 5.567 0.127 17 0 "[ . 1 . 2 . 3]" 1
734 1 54 TRP HA 1 60 LEU H 4.320 . 4.320 3.222 3.062 3.366 . 0 0 "[ . 1 . 2 . 3]" 1
735 1 54 TRP HB3 1 55 ASP H 4.630 . 4.630 4.320 4.031 4.461 . 0 0 "[ . 1 . 2 . 3]" 1
736 1 54 TRP HB3 1 59 ALA HA 5.500 . 5.500 5.177 4.866 5.442 . 0 0 "[ . 1 . 2 . 3]" 1
737 1 54 TRP HB2 1 54 TRP HD1 3.750 . 3.750 3.581 3.508 3.673 . 0 0 "[ . 1 . 2 . 3]" 1
738 1 54 TRP HB2 1 59 ALA HA 5.280 . 5.280 3.838 3.435 4.156 . 0 0 "[ . 1 . 2 . 3]" 1
739 1 54 TRP HE1 1 56 GLY HA2 4.850 . 4.850 4.745 4.181 4.930 0.080 28 0 "[ . 1 . 2 . 3]" 1
740 1 54 TRP HE3 1 58 VAL HA 5.080 . 5.080 4.423 3.961 4.884 . 0 0 "[ . 1 . 2 . 3]" 1
741 1 54 TRP HE3 1 59 ALA HA 3.660 . 3.660 2.029 1.901 2.201 . 0 0 "[ . 1 . 2 . 3]" 1
742 1 54 TRP HE3 1 59 ALA MB 3.650 . 3.650 2.148 1.982 2.325 . 0 0 "[ . 1 . 2 . 3]" 1
743 1 54 TRP HE3 1 59 ALA H 4.330 . 4.330 3.687 3.343 4.105 . 0 0 "[ . 1 . 2 . 3]" 1
744 1 54 TRP HE3 1 60 LEU H 4.020 . 4.020 3.916 3.735 4.031 0.011 14 0 "[ . 1 . 2 . 3]" 1
745 1 54 TRP H 1 54 TRP HB3 3.760 . 3.760 2.411 2.284 2.497 . 0 0 "[ . 1 . 2 . 3]" 1
746 1 54 TRP H 1 54 TRP HB2 3.520 . 3.520 3.051 2.947 3.174 . 0 0 "[ . 1 . 2 . 3]" 1
747 1 54 TRP H 1 54 TRP HD1 4.860 . 4.860 4.813 4.708 4.881 0.021 4 0 "[ . 1 . 2 . 3]" 1
748 1 54 TRP HZ2 1 56 GLY HA3 5.500 . 5.500 5.332 4.698 5.593 0.093 11 0 "[ . 1 . 2 . 3]" 1
749 1 54 TRP HZ2 1 56 GLY HA2 4.440 . 4.440 3.747 3.334 4.003 . 0 0 "[ . 1 . 2 . 3]" 1
750 1 54 TRP HZ3 1 58 VAL HA 3.440 . 3.440 2.725 2.215 3.360 . 0 0 "[ . 1 . 2 . 3]" 1
751 1 54 TRP HZ3 1 58 VAL HB 5.190 . 5.190 4.746 4.332 5.200 0.010 23 0 "[ . 1 . 2 . 3]" 1
752 1 54 TRP HZ3 1 58 VAL H 4.730 . 4.730 4.011 3.648 4.649 . 0 0 "[ . 1 . 2 . 3]" 1
753 1 54 TRP HZ3 1 59 ALA HA 4.740 . 4.740 3.526 3.239 3.723 . 0 0 "[ . 1 . 2 . 3]" 1
754 1 54 TRP HZ3 1 59 ALA MB 4.050 . 4.050 2.683 2.198 3.124 . 0 0 "[ . 1 . 2 . 3]" 1
755 1 54 TRP HZ3 1 59 ALA H 3.940 . 3.940 2.977 2.675 3.410 . 0 0 "[ . 1 . 2 . 3]" 1
756 1 54 TRP HZ3 1 60 LEU H 5.500 . 5.500 5.481 5.251 5.556 0.056 14 0 "[ . 1 . 2 . 3]" 1
757 1 55 ASP H 1 55 ASP QB 3.660 . 3.660 2.549 2.337 3.172 . 0 0 "[ . 1 . 2 . 3]" 1
758 1 55 ASP H 1 56 GLY HA2 5.230 . 5.230 4.813 4.494 5.071 . 0 0 "[ . 1 . 2 . 3]" 1
759 1 55 ASP H 1 57 GLN H 4.370 . 4.370 3.768 3.425 4.186 . 0 0 "[ . 1 . 2 . 3]" 1
760 1 55 ASP H 1 58 VAL QG 5.190 . 5.190 4.490 3.421 4.958 . 0 0 "[ . 1 . 2 . 3]" 1
761 1 55 ASP H 1 58 VAL H 4.220 . 4.220 3.897 3.364 4.235 0.015 11 0 "[ . 1 . 2 . 3]" 1
762 1 55 ASP H 1 59 ALA HA 4.450 . 4.450 3.410 3.063 3.816 . 0 0 "[ . 1 . 2 . 3]" 1
763 1 56 GLY HA2 1 57 GLN HB2 5.390 . 5.390 5.059 4.761 5.478 0.088 28 0 "[ . 1 . 2 . 3]" 1
764 1 57 GLN HA 1 58 VAL QG 5.230 . 5.230 3.822 3.649 4.116 . 0 0 "[ . 1 . 2 . 3]" 1
765 1 57 GLN HB3 1 58 VAL QG 2.940 . 2.940 2.721 2.497 2.951 0.011 6 0 "[ . 1 . 2 . 3]" 1
766 1 57 GLN HB3 1 58 VAL H 3.340 . 3.340 2.356 1.869 3.198 . 0 0 "[ . 1 . 2 . 3]" 1
767 1 57 GLN QG 1 58 VAL H 4.580 . 4.580 3.439 2.763 4.183 . 0 0 "[ . 1 . 2 . 3]" 1
768 1 57 GLN H 1 57 GLN HB3 3.850 . 3.850 3.307 2.434 3.898 0.048 29 0 "[ . 1 . 2 . 3]" 1
769 1 57 GLN H 1 57 GLN HB2 3.800 . 3.800 3.155 2.375 3.590 . 0 0 "[ . 1 . 2 . 3]" 1
770 1 57 GLN H 1 57 GLN QG 4.550 . 4.550 3.863 2.518 4.505 . 0 0 "[ . 1 . 2 . 3]" 1
771 1 57 GLN H 1 58 VAL QG 4.600 . 4.600 4.108 3.895 4.243 . 0 0 "[ . 1 . 2 . 3]" 1
772 1 57 GLN H 1 58 VAL H 3.060 . 3.060 2.515 2.219 2.764 . 0 0 "[ . 1 . 2 . 3]" 1
773 1 58 VAL HA 1 59 ALA HA 5.450 . 5.450 4.340 4.278 4.418 . 0 0 "[ . 1 . 2 . 3]" 1
774 1 58 VAL HA 1 59 ALA MB 4.880 . 4.880 3.953 3.853 4.039 . 0 0 "[ . 1 . 2 . 3]" 1
775 1 58 VAL HA 1 59 ALA H 2.660 . 2.660 2.324 2.130 2.420 . 0 0 "[ . 1 . 2 . 3]" 1
776 1 58 VAL HB 1 59 ALA HA 5.500 . 5.500 4.574 4.458 4.698 . 0 0 "[ . 1 . 2 . 3]" 1
777 1 58 VAL HB 1 59 ALA H 3.880 . 3.880 2.514 2.422 2.918 . 0 0 "[ . 1 . 2 . 3]" 1
778 1 58 VAL QG 1 59 ALA HA 4.630 . 4.630 3.947 3.827 4.073 . 0 0 "[ . 1 . 2 . 3]" 1
779 1 58 VAL QG 1 59 ALA H 3.930 . 3.930 3.205 3.152 3.376 . 0 0 "[ . 1 . 2 . 3]" 1
780 1 58 VAL MG1 1 59 ALA H 4.490 . 4.490 3.646 3.545 3.774 . 0 0 "[ . 1 . 2 . 3]" 1
781 1 58 VAL MG2 1 59 ALA H 4.490 . 4.490 3.561 3.437 3.898 . 0 0 "[ . 1 . 2 . 3]" 1
782 1 58 VAL H 1 58 VAL QG 3.550 . 3.550 2.274 2.065 2.424 . 0 0 "[ . 1 . 2 . 3]" 1
783 1 59 ALA HA 1 60 LEU HA 5.230 . 5.230 4.324 4.196 4.368 . 0 0 "[ . 1 . 2 . 3]" 1
784 1 59 ALA HA 1 60 LEU QB 4.430 . 4.430 3.900 3.840 3.964 . 0 0 "[ . 1 . 2 . 3]" 1
785 1 59 ALA HA 1 60 LEU HB3 5.250 . 5.250 4.439 4.297 5.362 0.112 12 0 "[ . 1 . 2 . 3]" 1
786 1 59 ALA HA 1 60 LEU HB2 5.250 . 5.250 4.341 4.047 4.473 . 0 0 "[ . 1 . 2 . 3]" 1
787 1 59 ALA HA 1 60 LEU H 2.780 . 2.780 2.055 1.921 2.104 . 0 0 "[ . 1 . 2 . 3]" 1
788 1 59 ALA MB 1 60 LEU HA 5.130 . 5.130 4.350 4.123 4.434 . 0 0 "[ . 1 . 2 . 3]" 1
789 1 59 ALA MB 1 60 LEU H 3.600 . 3.600 3.277 3.037 3.405 . 0 0 "[ . 1 . 2 . 3]" 1
790 1 59 ALA MB 1 82 LEU H 3.720 . 3.720 3.199 2.711 3.600 . 0 0 "[ . 1 . 2 . 3]" 1
791 1 59 ALA H 1 59 ALA MB 3.110 . 3.110 2.320 2.252 2.371 . 0 0 "[ . 1 . 2 . 3]" 1
792 1 59 ALA H 1 60 LEU H 4.660 . 4.660 4.205 4.061 4.408 . 0 0 "[ . 1 . 2 . 3]" 1
793 1 60 LEU HA 1 60 LEU QD 3.570 . 3.570 2.620 2.081 3.127 . 0 0 "[ . 1 . 2 . 3]" 1
794 1 60 LEU HA 1 60 LEU MD1 4.160 . 4.160 3.110 2.090 3.844 . 0 0 "[ . 1 . 2 . 3]" 1
795 1 60 LEU HA 1 60 LEU MD2 4.160 . 4.160 3.407 2.140 3.875 . 0 0 "[ . 1 . 2 . 3]" 1
796 1 60 LEU HA 1 61 LEU HB2 4.760 . 4.760 4.407 4.179 4.559 . 0 0 "[ . 1 . 2 . 3]" 1
797 1 60 LEU HA 1 61 LEU H 2.770 . 2.770 2.106 1.889 2.202 . 0 0 "[ . 1 . 2 . 3]" 1
798 1 60 LEU HA 1 81 GLN HA 3.760 . 3.760 2.845 2.572 3.328 . 0 0 "[ . 1 . 2 . 3]" 1
799 1 60 LEU HA 1 82 LEU H 4.070 . 4.070 3.714 3.330 4.110 0.040 23 0 "[ . 1 . 2 . 3]" 1
800 1 60 LEU QB 1 61 LEU H 4.160 . 4.160 3.827 3.165 3.907 . 0 0 "[ . 1 . 2 . 3]" 1
801 1 60 LEU QD 1 61 LEU H 3.770 . 3.770 2.904 2.439 3.313 . 0 0 "[ . 1 . 2 . 3]" 1
802 1 60 LEU HG 1 61 LEU H 4.000 . 4.000 3.620 3.160 4.164 0.164 12 0 "[ . 1 . 2 . 3]" 1
803 1 60 LEU H 1 60 LEU QB 2.980 . 2.980 2.202 2.157 2.321 . 0 0 "[ . 1 . 2 . 3]" 1
804 1 60 LEU H 1 60 LEU HB3 3.590 . 3.590 2.417 2.286 3.479 . 0 0 "[ . 1 . 2 . 3]" 1
805 1 60 LEU H 1 60 LEU HB2 3.590 . 3.590 2.597 2.198 2.868 . 0 0 "[ . 1 . 2 . 3]" 1
806 1 60 LEU H 1 60 LEU QD 3.670 . 3.670 3.672 3.308 3.713 0.043 9 0 "[ . 1 . 2 . 3]" 1
807 1 60 LEU H 1 61 LEU H 4.720 . 4.720 4.307 4.115 4.500 . 0 0 "[ . 1 . 2 . 3]" 1
808 1 61 LEU HA 1 62 ALA MB 4.540 . 4.540 4.053 3.905 4.135 . 0 0 "[ . 1 . 2 . 3]" 1
809 1 61 LEU HA 1 62 ALA H 2.850 . 2.850 2.202 2.174 2.234 . 0 0 "[ . 1 . 2 . 3]" 1
810 1 61 LEU HB3 1 62 ALA HA 5.500 . 5.500 4.811 4.708 4.918 . 0 0 "[ . 1 . 2 . 3]" 1
811 1 61 LEU HB3 1 80 TRP HB3 4.860 . 4.860 2.467 2.235 2.859 . 0 0 "[ . 1 . 2 . 3]" 1
812 1 61 LEU HB3 1 80 TRP H 4.190 . 4.190 2.830 2.652 3.146 . 0 0 "[ . 1 . 2 . 3]" 1
813 1 61 LEU HB3 1 82 LEU H 3.810 . 3.810 3.869 3.843 3.900 0.090 23 0 "[ . 1 . 2 . 3]" 1
814 1 61 LEU HB2 1 61 LEU QD 3.060 . 3.060 2.263 2.161 2.302 . 0 0 "[ . 1 . 2 . 3]" 1
815 1 61 LEU HB2 1 80 TRP HD1 5.470 . 5.470 3.726 3.266 4.406 . 0 0 "[ . 1 . 2 . 3]" 1
816 1 61 LEU HB2 1 82 LEU MD1 5.130 . 5.130 2.902 2.462 3.452 . 0 0 "[ . 1 . 2 . 3]" 1
817 1 61 LEU HB2 1 82 LEU H 3.780 . 3.780 3.485 3.281 3.859 0.079 2 0 "[ . 1 . 2 . 3]" 1
818 1 61 LEU QD 1 62 ALA HA 3.740 . 3.740 3.013 2.725 3.218 . 0 0 "[ . 1 . 2 . 3]" 1
819 1 61 LEU QD 1 62 ALA H 3.350 . 3.350 2.609 2.383 2.921 . 0 0 "[ . 1 . 2 . 3]" 1
820 1 61 LEU QD 1 63 ASP HA 4.050 . 4.050 3.651 3.387 3.967 . 0 0 "[ . 1 . 2 . 3]" 1
821 1 61 LEU QD 1 63 ASP QB 4.320 . 4.320 3.123 2.770 4.232 . 0 0 "[ . 1 . 2 . 3]" 1
822 1 61 LEU QD 1 63 ASP H 3.930 . 3.930 3.212 2.822 3.535 . 0 0 "[ . 1 . 2 . 3]" 1
823 1 61 LEU QD 1 79 GLU HA 3.980 . 3.980 3.222 2.648 3.828 . 0 0 "[ . 1 . 2 . 3]" 1
824 1 61 LEU QD 1 80 TRP HB3 3.780 . 3.780 2.383 2.026 2.636 . 0 0 "[ . 1 . 2 . 3]" 1
825 1 61 LEU QD 1 80 TRP HB2 4.670 . 4.670 3.452 3.129 3.732 . 0 0 "[ . 1 . 2 . 3]" 1
826 1 61 LEU QD 1 80 TRP HD1 4.140 . 4.140 3.804 3.110 4.144 0.004 20 0 "[ . 1 . 2 . 3]" 1
827 1 61 LEU QD 1 80 TRP H 3.670 . 3.670 3.185 2.739 3.407 . 0 0 "[ . 1 . 2 . 3]" 1
828 1 61 LEU MD1 1 62 ALA H 4.020 . 4.020 2.970 2.691 4.064 0.044 2 0 "[ . 1 . 2 . 3]" 1
829 1 61 LEU MD1 1 63 ASP H 5.500 . 5.500 3.326 2.842 5.527 0.027 2 0 "[ . 1 . 2 . 3]" 1
830 1 61 LEU MD2 1 62 ALA H 4.020 . 4.020 2.911 2.645 3.252 . 0 0 "[ . 1 . 2 . 3]" 1
831 1 61 LEU MD2 1 63 ASP H 5.500 . 5.500 5.032 3.142 5.429 . 0 0 "[ . 1 . 2 . 3]" 1
832 1 61 LEU H 1 61 LEU HB3 3.280 . 3.280 2.355 2.288 2.510 . 0 0 "[ . 1 . 2 . 3]" 1
833 1 61 LEU H 1 61 LEU HB2 3.230 . 3.230 2.702 2.553 2.932 . 0 0 "[ . 1 . 2 . 3]" 1
834 1 61 LEU H 1 61 LEU QD 3.990 . 3.990 3.697 3.666 3.748 . 0 0 "[ . 1 . 2 . 3]" 1
835 1 61 LEU H 1 79 GLU HA 5.220 . 5.220 4.887 4.671 5.156 . 0 0 "[ . 1 . 2 . 3]" 1
836 1 61 LEU H 1 80 TRP HB3 5.300 . 5.300 4.380 4.114 4.779 . 0 0 "[ . 1 . 2 . 3]" 1
837 1 61 LEU H 1 80 TRP H 3.760 . 3.760 3.157 2.977 3.382 . 0 0 "[ . 1 . 2 . 3]" 1
838 1 61 LEU H 1 81 GLN HA 3.860 . 3.860 2.886 2.513 3.445 . 0 0 "[ . 1 . 2 . 3]" 1
839 1 61 LEU H 1 82 LEU HG 4.320 . 4.320 3.541 3.182 4.044 . 0 0 "[ . 1 . 2 . 3]" 1
840 1 61 LEU H 1 82 LEU H 4.400 . 4.400 3.464 3.187 3.819 . 0 0 "[ . 1 . 2 . 3]" 1
841 1 62 ALA HA 1 63 ASP H 2.890 . 2.890 2.100 2.065 2.148 . 0 0 "[ . 1 . 2 . 3]" 1
842 1 62 ALA HA 1 79 GLU HA 3.180 . 3.180 2.396 1.977 2.717 . 0 0 "[ . 1 . 2 . 3]" 1
843 1 62 ALA HA 1 79 GLU HB2 5.110 . 5.110 3.827 3.221 4.787 . 0 0 "[ . 1 . 2 . 3]" 1
844 1 62 ALA HA 1 80 TRP H 4.110 . 4.110 3.766 3.498 4.112 0.002 23 0 "[ . 1 . 2 . 3]" 1
845 1 62 ALA MB 1 63 ASP H 3.510 . 3.510 3.141 2.876 3.310 . 0 0 "[ . 1 . 2 . 3]" 1
846 1 62 ALA MB 1 79 GLU HA 3.980 . 3.980 3.746 3.452 3.994 0.014 21 0 "[ . 1 . 2 . 3]" 1
847 1 62 ALA MB 1 79 GLU HB3 4.190 . 4.190 3.522 2.882 4.221 0.031 23 0 "[ . 1 . 2 . 3]" 1
848 1 62 ALA H 1 62 ALA MB 3.170 . 3.170 2.512 2.419 2.599 . 0 0 "[ . 1 . 2 . 3]" 1
849 1 62 ALA H 1 63 ASP H 4.640 . 4.640 4.179 4.033 4.316 . 0 0 "[ . 1 . 2 . 3]" 1
850 1 63 ASP HA 1 64 LEU H 3.100 . 3.100 2.194 2.129 2.311 . 0 0 "[ . 1 . 2 . 3]" 1
851 1 63 ASP HA 1 70 THR HB 5.240 . 5.240 4.097 3.644 4.608 . 0 0 "[ . 1 . 2 . 3]" 1
852 1 63 ASP QB 1 64 LEU H 4.410 . 4.410 3.609 2.789 3.887 . 0 0 "[ . 1 . 2 . 3]" 1
853 1 63 ASP QB 1 69 GLY QA 4.660 . 4.660 4.102 2.632 4.469 . 0 0 "[ . 1 . 2 . 3]" 1
854 1 63 ASP QB 1 70 THR HB 3.610 . 3.610 2.589 2.116 3.779 0.169 24 0 "[ . 1 . 2 . 3]" 1
855 1 63 ASP QB 1 70 THR MG 5.080 . 5.080 3.895 3.493 4.945 . 0 0 "[ . 1 . 2 . 3]" 1
856 1 63 ASP QB 1 70 THR H 3.940 . 3.940 3.335 3.120 3.693 . 0 0 "[ . 1 . 2 . 3]" 1
857 1 63 ASP QB 1 78 GLN HA 4.520 . 4.520 2.328 1.841 3.208 . 0 0 "[ . 1 . 2 . 3]" 1
858 1 63 ASP QB 1 79 GLU HA 5.340 . 5.340 4.426 3.619 5.145 . 0 0 "[ . 1 . 2 . 3]" 1
859 1 63 ASP HB3 1 70 THR HB 4.200 . 4.200 4.006 3.671 4.319 0.119 7 0 "[ . 1 . 2 . 3]" 1
860 1 63 ASP HB3 1 70 THR H 4.590 . 4.590 4.133 3.553 4.472 . 0 0 "[ . 1 . 2 . 3]" 1
861 1 63 ASP HB2 1 70 THR HB 4.200 . 4.200 2.655 2.129 4.280 0.080 24 0 "[ . 1 . 2 . 3]" 1
862 1 63 ASP HB2 1 70 THR H 4.590 . 4.590 3.549 3.258 4.504 . 0 0 "[ . 1 . 2 . 3]" 1
863 1 63 ASP H 1 63 ASP QB 3.030 . 3.030 2.252 2.190 2.342 . 0 0 "[ . 1 . 2 . 3]" 1
864 1 63 ASP H 1 63 ASP HB3 3.610 . 3.610 2.476 2.280 3.601 . 0 0 "[ . 1 . 2 . 3]" 1
865 1 63 ASP H 1 63 ASP HB2 3.610 . 3.610 2.804 2.277 2.999 . 0 0 "[ . 1 . 2 . 3]" 1
866 1 63 ASP H 1 70 THR HB 5.500 . 5.500 5.227 4.846 5.500 . 22 0 "[ . 1 . 2 . 3]" 1
867 1 63 ASP H 1 78 GLN HA 4.340 . 4.340 3.476 2.867 3.872 . 0 0 "[ . 1 . 2 . 3]" 1
868 1 63 ASP H 1 78 GLN QB 5.340 . 5.340 4.110 3.129 4.684 . 0 0 "[ . 1 . 2 . 3]" 1
869 1 63 ASP H 1 79 GLU HA 3.950 . 3.950 3.248 2.564 3.888 . 0 0 "[ . 1 . 2 . 3]" 1
870 1 63 ASP H 1 79 GLU HB3 5.500 . 5.500 4.278 3.669 5.155 . 0 0 "[ . 1 . 2 . 3]" 1
871 1 64 LEU QD 1 65 ASN H 4.420 . 4.420 3.706 2.740 4.326 . 0 0 "[ . 1 . 2 . 3]" 1
872 1 64 LEU H 1 64 LEU QB 3.000 . 3.000 2.500 2.408 2.688 . 0 0 "[ . 1 . 2 . 3]" 1
873 1 64 LEU H 1 64 LEU QD 3.910 . 3.910 3.358 2.344 3.931 0.021 20 0 "[ . 1 . 2 . 3]" 1
874 1 64 LEU H 1 64 LEU MD1 4.520 . 4.520 4.130 3.782 4.334 . 0 0 "[ . 1 . 2 . 3]" 1
875 1 64 LEU H 1 64 LEU MD2 4.520 . 4.520 3.685 2.367 4.527 0.007 20 0 "[ . 1 . 2 . 3]" 1
876 1 64 LEU H 1 64 LEU HG 5.070 . 5.070 4.461 2.433 4.885 . 0 0 "[ . 1 . 2 . 3]" 1
877 1 64 LEU H 1 65 ASN H 4.580 . 4.580 3.506 3.316 4.115 . 0 0 "[ . 1 . 2 . 3]" 1
878 1 65 ASN H 1 66 SER H 4.290 . 4.290 4.029 3.209 4.293 0.003 19 0 "[ . 1 . 2 . 3]" 1
879 1 66 SER QB 1 67 THR H 3.590 . 3.590 2.925 2.276 3.640 0.050 21 0 "[ . 1 . 2 . 3]" 1
880 1 66 SER HB3 1 67 THR H 4.300 . 4.300 3.791 2.536 4.309 0.009 21 0 "[ . 1 . 2 . 3]" 1
881 1 66 SER HB2 1 67 THR H 4.300 . 4.300 3.182 2.302 4.218 . 0 0 "[ . 1 . 2 . 3]" 1
882 1 67 THR HA 1 67 THR MG 3.360 . 3.360 2.836 2.234 3.257 . 0 0 "[ . 1 . 2 . 3]" 1
883 1 67 THR HB 1 68 ASN H 4.260 . 4.260 3.346 2.093 4.304 0.044 11 0 "[ . 1 . 2 . 3]" 1
884 1 67 THR MG 1 68 ASN QB 5.340 . 5.340 3.378 2.196 5.034 . 0 0 "[ . 1 . 2 . 3]" 1
885 1 67 THR MG 1 68 ASN QD 4.260 . 4.260 3.683 1.859 4.402 0.142 15 0 "[ . 1 . 2 . 3]" 1
886 1 67 THR MG 1 68 ASN H 4.640 . 4.640 2.882 2.063 3.857 . 0 0 "[ . 1 . 2 . 3]" 1
887 1 67 THR H 1 67 THR MG 4.360 . 4.360 2.809 1.833 3.791 . 0 0 "[ . 1 . 2 . 3]" 1
888 1 67 THR H 1 68 ASN H 3.910 . 3.910 2.510 2.303 2.953 . 0 0 "[ . 1 . 2 . 3]" 1
889 1 68 ASN QB 1 68 ASN QD 3.090 . 3.090 2.157 2.022 2.721 . 0 0 "[ . 1 . 2 . 3]" 1
890 1 68 ASN QB 1 69 GLY H 4.200 . 4.200 3.742 3.426 3.818 . 0 0 "[ . 1 . 2 . 3]" 1
891 1 68 ASN HB3 1 68 ASN HD22 4.050 . 4.050 3.637 3.419 4.067 0.017 26 0 "[ . 1 . 2 . 3]" 1
892 1 68 ASN HB2 1 68 ASN HD22 4.050 . 4.050 3.701 3.438 4.053 0.003 14 0 "[ . 1 . 2 . 3]" 1
893 1 68 ASN H 1 69 GLY H 3.450 . 3.450 2.568 1.872 2.927 . 0 0 "[ . 1 . 2 . 3]" 1
894 1 69 GLY QA 1 70 THR H 2.830 . 2.830 2.034 1.951 2.146 . 0 0 "[ . 1 . 2 . 3]" 1
895 1 69 GLY HA3 1 70 THR H 3.430 . 3.430 2.984 2.060 3.238 . 0 0 "[ . 1 . 2 . 3]" 1
896 1 69 GLY HA2 1 70 THR H 3.430 . 3.430 2.129 1.970 3.027 . 0 0 "[ . 1 . 2 . 3]" 1
897 1 69 GLY H 1 70 THR H 4.650 . 4.650 4.444 3.890 4.563 . 0 0 "[ . 1 . 2 . 3]" 1
898 1 70 THR HA 1 70 THR MG 3.330 . 3.330 2.344 2.236 2.667 . 0 0 "[ . 1 . 2 . 3]" 1
899 1 70 THR HA 1 71 THR MG 5.130 . 5.130 4.022 3.546 5.152 0.022 19 0 "[ . 1 . 2 . 3]" 1
900 1 70 THR MG 1 71 THR HA 4.770 . 4.770 3.840 3.670 4.158 . 0 0 "[ . 1 . 2 . 3]" 1
901 1 70 THR MG 1 71 THR H 4.000 . 4.000 2.365 2.142 2.605 . 0 0 "[ . 1 . 2 . 3]" 1
902 1 70 THR MG 1 90 LEU HA 4.570 . 4.570 2.768 2.035 3.811 . 0 0 "[ . 1 . 2 . 3]" 1
903 1 70 THR H 1 70 THR HB 3.130 . 3.130 2.423 2.007 2.532 . 0 0 "[ . 1 . 2 . 3]" 1
904 1 70 THR H 1 70 THR HG1 3.660 . 3.660 2.089 1.870 2.736 . 0 0 "[ . 1 . 2 . 3]" 1
905 1 70 THR H 1 70 THR MG 3.830 . 3.830 3.663 3.537 3.781 . 0 0 "[ . 1 . 2 . 3]" 1
906 1 70 THR H 1 71 THR H 4.880 . 4.880 4.546 4.454 4.634 . 0 0 "[ . 1 . 2 . 3]" 1
907 1 71 THR HA 1 71 THR MG 3.230 . 3.230 2.225 2.152 2.289 . 0 0 "[ . 1 . 2 . 3]" 1
908 1 71 THR HA 1 72 VAL H 2.860 . 2.860 2.202 2.130 2.368 . 0 0 "[ . 1 . 2 . 3]" 1
909 1 71 THR HA 1 75 ALA H 4.490 . 4.490 4.311 4.011 4.498 0.008 7 0 "[ . 1 . 2 . 3]" 1
910 1 71 THR HA 1 76 PRO HA 3.280 . 3.280 2.251 1.952 2.629 . 0 0 "[ . 1 . 2 . 3]" 1
911 1 71 THR HA 1 76 PRO HB3 4.810 . 4.810 4.104 3.637 4.652 . 0 0 "[ . 1 . 2 . 3]" 1
912 1 71 THR HA 1 77 VAL MG2 4.320 . 4.320 3.534 3.025 4.305 . 0 0 "[ . 1 . 2 . 3]" 1
913 1 71 THR HA 1 77 VAL H 3.670 . 3.670 3.182 2.754 3.660 . 0 0 "[ . 1 . 2 . 3]" 1
914 1 71 THR HB 1 72 VAL H 3.700 . 3.700 3.022 2.673 3.740 0.040 21 0 "[ . 1 . 2 . 3]" 1
915 1 71 THR HB 1 74 ASN HA 3.920 . 3.920 2.468 1.990 3.478 . 0 0 "[ . 1 . 2 . 3]" 1
916 1 71 THR HB 1 74 ASN H 4.170 . 4.170 3.035 2.876 3.836 . 0 0 "[ . 1 . 2 . 3]" 1
917 1 71 THR HB 1 75 ALA H 4.160 . 4.160 3.190 2.367 4.244 0.084 21 0 "[ . 1 . 2 . 3]" 1
918 1 71 THR HB 1 76 PRO HB3 5.450 . 5.450 5.188 4.737 5.504 0.054 30 0 "[ . 1 . 2 . 3]" 1
919 1 71 THR MG 1 72 VAL QG 4.200 . 4.200 4.228 3.749 4.323 0.123 15 0 "[ . 1 . 2 . 3]" 1
920 1 71 THR MG 1 72 VAL H 3.680 . 3.680 3.447 2.615 3.653 . 0 0 "[ . 1 . 2 . 3]" 1
921 1 71 THR MG 1 74 ASN HA 4.030 . 4.030 3.189 2.430 3.534 . 0 0 "[ . 1 . 2 . 3]" 1
922 1 71 THR MG 1 74 ASN H 4.360 . 4.360 4.284 3.170 4.461 0.101 14 0 "[ . 1 . 2 . 3]" 1
923 1 71 THR MG 1 75 ALA HA 4.910 . 4.910 3.488 2.978 3.814 . 0 0 "[ . 1 . 2 . 3]" 1
924 1 71 THR MG 1 75 ALA H 4.340 . 4.340 3.757 2.305 4.179 . 0 0 "[ . 1 . 2 . 3]" 1
925 1 71 THR MG 1 76 PRO HA 3.110 . 3.110 2.200 1.960 2.453 . 0 0 "[ . 1 . 2 . 3]" 1
926 1 71 THR MG 1 77 VAL H 4.170 . 4.170 3.978 3.656 4.202 0.032 8 0 "[ . 1 . 2 . 3]" 1
927 1 71 THR MG 1 89 ARG H 4.730 . 4.730 4.732 4.533 4.844 0.114 16 0 "[ . 1 . 2 . 3]" 1
928 1 71 THR H 1 71 THR MG 4.400 . 4.400 3.054 2.781 3.733 . 0 0 "[ . 1 . 2 . 3]" 1
929 1 71 THR H 1 89 ARG H 3.910 . 3.910 3.017 2.767 3.399 . 0 0 "[ . 1 . 2 . 3]" 1
930 1 72 VAL HA 1 73 ASN H 2.940 . 2.940 2.090 2.044 2.163 . 0 0 "[ . 1 . 2 . 3]" 1
931 1 72 VAL HA 1 74 ASN H 4.500 . 4.500 3.403 3.164 3.674 . 0 0 "[ . 1 . 2 . 3]" 1
932 1 72 VAL HA 1 88 ILE HB 5.260 . 5.260 5.044 4.613 5.314 0.054 23 0 "[ . 1 . 2 . 3]" 1
933 1 72 VAL HB 1 73 ASN HA 5.150 . 5.150 5.180 5.090 5.222 0.072 20 0 "[ . 1 . 2 . 3]" 1
934 1 72 VAL HB 1 73 ASN HB2 4.940 . 4.940 4.196 3.685 4.620 . 0 0 "[ . 1 . 2 . 3]" 1
935 1 72 VAL HB 1 73 ASN QD 4.270 . 4.270 3.730 2.583 4.324 0.054 1 0 "[ . 1 . 2 . 3]" 1
936 1 72 VAL HB 1 73 ASN H 3.420 . 3.420 3.420 3.281 3.454 0.034 6 0 "[ . 1 . 2 . 3]" 1
937 1 72 VAL HB 1 80 TRP HB3 4.280 . 4.280 4.341 4.265 4.415 0.135 14 0 "[ . 1 . 2 . 3]" 1
938 1 72 VAL HB 1 80 TRP HD1 3.890 . 3.890 3.831 3.509 3.926 0.036 25 0 "[ . 1 . 2 . 3]" 1
939 1 72 VAL HB 1 80 TRP HE1 3.760 . 3.760 3.612 3.070 3.796 0.036 30 0 "[ . 1 . 2 . 3]" 1
940 1 72 VAL HB 1 80 TRP HH2 5.500 . 5.500 5.541 5.418 5.610 0.110 23 0 "[ . 1 . 2 . 3]" 1
941 1 72 VAL HB 1 80 TRP HZ2 4.580 . 4.580 4.468 4.173 4.586 0.006 30 0 "[ . 1 . 2 . 3]" 1
942 1 72 VAL HB 1 82 LEU MD2 4.950 . 4.950 4.489 3.979 4.903 . 0 0 "[ . 1 . 2 . 3]" 1
943 1 72 VAL HB 1 86 ASP QB 4.210 . 4.210 3.885 3.269 4.418 0.208 11 0 "[ . 1 . 2 . 3]" 1
944 1 72 VAL HB 1 88 ILE HA 4.390 . 4.390 4.416 4.117 4.478 0.088 3 0 "[ . 1 . 2 . 3]" 1
945 1 72 VAL QG 1 73 ASN H 3.720 . 3.720 3.570 3.516 3.604 . 0 0 "[ . 1 . 2 . 3]" 1
946 1 72 VAL QG 1 80 TRP HE1 4.630 . 4.630 3.721 3.339 3.890 . 0 0 "[ . 1 . 2 . 3]" 1
947 1 72 VAL QG 1 86 ASP QB 5.220 . 5.220 4.044 3.522 4.423 . 0 0 "[ . 1 . 2 . 3]" 1
948 1 72 VAL MG1 1 73 ASN H 4.450 . 4.450 3.991 3.932 4.042 . 0 0 "[ . 1 . 2 . 3]" 1
949 1 72 VAL MG2 1 73 ASN H 4.450 . 4.450 4.027 3.894 4.093 . 0 0 "[ . 1 . 2 . 3]" 1
950 1 72 VAL H 1 72 VAL MG1 3.370 . 3.370 2.813 2.634 2.931 . 0 0 "[ . 1 . 2 . 3]" 1
951 1 72 VAL H 1 72 VAL MG2 3.370 . 3.370 2.058 1.981 2.171 . 0 0 "[ . 1 . 2 . 3]" 1
952 1 72 VAL H 1 73 ASN H 4.410 . 4.410 4.200 4.129 4.319 . 0 0 "[ . 1 . 2 . 3]" 1
953 1 72 VAL H 1 74 ASN HA 5.150 . 5.150 4.662 4.282 4.905 . 0 0 "[ . 1 . 2 . 3]" 1
954 1 72 VAL H 1 74 ASN H 4.840 . 4.840 3.806 3.685 4.154 . 0 0 "[ . 1 . 2 . 3]" 1
955 1 72 VAL H 1 75 ALA MB 4.070 . 4.070 3.513 3.279 3.841 . 0 0 "[ . 1 . 2 . 3]" 1
956 1 72 VAL H 1 75 ALA H 3.510 . 3.510 2.971 2.701 3.139 . 0 0 "[ . 1 . 2 . 3]" 1
957 1 72 VAL H 1 76 PRO HA 4.080 . 4.080 3.630 3.352 3.954 . 0 0 "[ . 1 . 2 . 3]" 1
958 1 72 VAL H 1 77 VAL MG1 4.410 . 4.410 3.712 3.344 4.425 0.015 3 0 "[ . 1 . 2 . 3]" 1
959 1 72 VAL H 1 77 VAL H 4.590 . 4.590 4.061 3.797 4.236 . 0 0 "[ . 1 . 2 . 3]" 1
960 1 72 VAL H 1 89 ARG H 5.500 . 5.500 4.829 4.750 4.912 . 0 0 "[ . 1 . 2 . 3]" 1
961 1 73 ASN HA 1 74 ASN QB 4.840 . 4.840 4.026 3.780 4.380 . 0 0 "[ . 1 . 2 . 3]" 1
962 1 73 ASN HA 1 74 ASN H 3.570 . 3.570 2.826 2.721 3.007 . 0 0 "[ . 1 . 2 . 3]" 1
963 1 73 ASN HA 1 87 VAL HB 3.640 . 3.640 2.402 2.138 2.772 . 0 0 "[ . 1 . 2 . 3]" 1
964 1 73 ASN HA 1 87 VAL MG1 5.020 . 5.020 3.904 3.597 4.248 . 0 0 "[ . 1 . 2 . 3]" 1
965 1 73 ASN HA 1 87 VAL H 4.450 . 4.450 3.081 2.813 3.546 . 0 0 "[ . 1 . 2 . 3]" 1
966 1 73 ASN HB3 1 87 VAL HB 5.190 . 5.190 4.825 4.444 5.250 0.060 26 0 "[ . 1 . 2 . 3]" 1
967 1 73 ASN QD 1 86 ASP HA 4.000 . 4.000 2.772 1.774 3.748 0.026 29 0 "[ . 1 . 2 . 3]" 1
968 1 73 ASN HD21 1 87 VAL H 4.620 . 4.620 4.216 2.477 4.671 0.051 24 0 "[ . 1 . 2 . 3]" 1
969 1 73 ASN HD22 1 87 VAL H 4.620 . 4.620 3.564 2.691 3.954 . 0 0 "[ . 1 . 2 . 3]" 1
970 1 73 ASN H 1 74 ASN HA 5.100 . 5.100 4.712 4.547 4.999 . 0 0 "[ . 1 . 2 . 3]" 1
971 1 73 ASN H 1 74 ASN H 3.570 . 3.570 2.551 2.452 2.796 . 0 0 "[ . 1 . 2 . 3]" 1
972 1 73 ASN H 1 75 ALA H 4.540 . 4.540 4.105 3.996 4.230 . 0 0 "[ . 1 . 2 . 3]" 1
973 1 73 ASN H 1 87 VAL HA 4.510 . 4.510 4.535 4.342 4.606 0.096 7 0 "[ . 1 . 2 . 3]" 1
974 1 73 ASN H 1 87 VAL HB 4.000 . 4.000 3.072 2.358 3.409 . 0 0 "[ . 1 . 2 . 3]" 1
975 1 73 ASN H 1 87 VAL MG1 4.210 . 4.210 3.960 3.494 4.250 0.040 4 0 "[ . 1 . 2 . 3]" 1
976 1 73 ASN H 1 87 VAL MG2 4.440 . 4.440 4.347 3.842 4.486 0.046 4 0 "[ . 1 . 2 . 3]" 1
977 1 73 ASN H 1 87 VAL H 3.890 . 3.890 3.090 2.809 3.324 . 0 0 "[ . 1 . 2 . 3]" 1
978 1 74 ASN HA 1 87 VAL HB 5.500 . 5.500 5.530 5.364 5.569 0.069 30 0 "[ . 1 . 2 . 3]" 1
979 1 74 ASN QB 1 87 VAL MG1 5.340 . 5.340 4.702 4.100 5.358 0.018 2 0 "[ . 1 . 2 . 3]" 1
980 1 74 ASN H 1 74 ASN QB 3.520 . 3.520 3.147 2.971 3.436 . 0 0 "[ . 1 . 2 . 3]" 1
981 1 74 ASN H 1 75 ALA H 3.860 . 3.860 2.583 2.457 2.729 . 0 0 "[ . 1 . 2 . 3]" 1
982 1 75 ALA HA 1 76 PRO QD 2.940 . 2.940 1.967 1.862 2.062 . 0 0 "[ . 1 . 2 . 3]" 1
983 1 75 ALA HA 1 76 PRO HD3 3.370 . 3.370 2.186 1.894 2.480 . 0 0 "[ . 1 . 2 . 3]" 1
984 1 75 ALA HA 1 76 PRO HD2 3.370 . 3.370 2.386 2.066 2.953 . 0 0 "[ . 1 . 2 . 3]" 1
985 1 75 ALA HA 1 76 PRO QG 4.400 . 4.400 3.867 3.706 3.979 . 0 0 "[ . 1 . 2 . 3]" 1
986 1 75 ALA MB 1 76 PRO QD 3.410 . 3.410 2.873 2.601 3.050 . 0 0 "[ . 1 . 2 . 3]" 1
987 1 75 ALA MB 1 76 PRO HD3 3.980 . 3.980 3.691 3.271 3.993 0.013 8 0 "[ . 1 . 2 . 3]" 1
988 1 75 ALA MB 1 76 PRO HD2 3.980 . 3.980 3.020 2.667 3.343 . 0 0 "[ . 1 . 2 . 3]" 1
989 1 75 ALA MB 1 76 PRO QG 5.340 . 5.340 4.361 4.106 4.647 . 0 0 "[ . 1 . 2 . 3]" 1
990 1 75 ALA H 1 75 ALA MB 3.120 . 3.120 2.348 2.259 2.492 . 0 0 "[ . 1 . 2 . 3]" 1
991 1 75 ALA H 1 77 VAL MG1 5.140 . 5.140 4.860 4.668 5.167 0.027 15 0 "[ . 1 . 2 . 3]" 1
992 1 76 PRO HA 1 77 VAL MG2 3.700 . 3.700 3.680 3.498 3.749 0.049 15 0 "[ . 1 . 2 . 3]" 1
993 1 76 PRO HA 1 77 VAL H 2.940 . 2.940 2.140 2.068 2.201 . 0 0 "[ . 1 . 2 . 3]" 1
994 1 76 PRO HB3 1 77 VAL H 4.120 . 4.120 3.911 3.573 4.107 . 0 0 "[ . 1 . 2 . 3]" 1
995 1 76 PRO HB2 1 77 VAL H 4.230 . 4.230 3.611 3.258 3.891 . 0 0 "[ . 1 . 2 . 3]" 1
996 1 77 VAL HA 1 77 VAL MG1 2.960 . 2.960 2.421 2.374 2.513 . 0 0 "[ . 1 . 2 . 3]" 1
997 1 77 VAL HA 1 78 GLN H 2.860 . 2.860 2.454 2.289 2.621 . 0 0 "[ . 1 . 2 . 3]" 1
998 1 77 VAL HA 1 79 GLU H 4.750 . 4.750 4.121 3.776 4.479 . 0 0 "[ . 1 . 2 . 3]" 1
999 1 77 VAL HB 1 78 GLN H 3.130 . 3.130 2.295 2.015 2.713 . 0 0 "[ . 1 . 2 . 3]" 1
1000 1 77 VAL HB 1 79 GLU H 3.520 . 3.520 2.514 2.070 2.892 . 0 0 "[ . 1 . 2 . 3]" 1
1001 1 77 VAL HB 1 80 TRP HE3 5.040 . 5.040 4.194 3.660 4.914 . 0 0 "[ . 1 . 2 . 3]" 1
1002 1 77 VAL MG1 1 78 GLN H 3.960 . 3.960 3.656 3.557 3.826 . 0 0 "[ . 1 . 2 . 3]" 1
1003 1 77 VAL MG1 1 80 TRP HB2 4.930 . 4.930 3.334 2.846 4.040 . 0 0 "[ . 1 . 2 . 3]" 1
1004 1 77 VAL MG1 1 80 TRP HE3 3.980 . 3.980 2.672 2.246 3.317 . 0 0 "[ . 1 . 2 . 3]" 1
1005 1 77 VAL MG1 1 80 TRP HZ3 5.020 . 5.020 3.656 3.307 4.540 . 0 0 "[ . 1 . 2 . 3]" 1
1006 1 77 VAL MG2 1 78 GLN H 4.000 . 4.000 3.255 2.949 3.603 . 0 0 "[ . 1 . 2 . 3]" 1
1007 1 77 VAL MG2 1 79 GLU HA 5.500 . 5.500 3.719 3.279 4.331 . 0 0 "[ . 1 . 2 . 3]" 1
1008 1 77 VAL MG2 1 79 GLU QG 5.140 . 5.140 4.630 4.009 5.142 0.002 14 0 "[ . 1 . 2 . 3]" 1
1009 1 77 VAL MG2 1 80 TRP HA 4.680 . 4.680 3.962 3.606 4.181 . 0 0 "[ . 1 . 2 . 3]" 1
1010 1 77 VAL MG2 1 80 TRP HB3 4.050 . 4.050 3.013 2.496 3.358 . 0 0 "[ . 1 . 2 . 3]" 1
1011 1 77 VAL MG2 1 80 TRP HB2 3.960 . 3.960 2.043 1.916 2.357 . 0 0 "[ . 1 . 2 . 3]" 1
1012 1 77 VAL MG2 1 80 TRP HD1 5.140 . 5.140 4.856 4.379 5.176 0.036 15 0 "[ . 1 . 2 . 3]" 1
1013 1 77 VAL MG2 1 80 TRP HE3 4.460 . 4.460 3.245 2.461 3.764 . 0 0 "[ . 1 . 2 . 3]" 1
1014 1 77 VAL MG2 1 80 TRP HZ3 5.500 . 5.500 4.978 4.219 5.559 0.059 4 0 "[ . 1 . 2 . 3]" 1
1015 1 77 VAL H 1 77 VAL HB 4.140 . 4.140 3.887 3.841 3.938 . 0 0 "[ . 1 . 2 . 3]" 1
1016 1 77 VAL H 1 77 VAL MG1 3.760 . 3.760 3.135 3.027 3.264 . 0 0 "[ . 1 . 2 . 3]" 1
1017 1 77 VAL H 1 77 VAL MG2 3.170 . 3.170 2.311 2.204 2.456 . 0 0 "[ . 1 . 2 . 3]" 1
1018 1 78 GLN HA 1 78 GLN QG 3.610 . 3.610 2.876 2.236 3.588 . 0 0 "[ . 1 . 2 . 3]" 1
1019 1 78 GLN HA 1 79 GLU HA 5.400 . 5.400 4.469 4.265 4.594 . 0 0 "[ . 1 . 2 . 3]" 1
1020 1 78 GLN QG 1 79 GLU H 4.600 . 4.600 3.571 2.452 4.446 . 0 0 "[ . 1 . 2 . 3]" 1
1021 1 78 GLN H 1 78 GLN QB 3.330 . 3.330 2.630 2.349 3.053 . 0 0 "[ . 1 . 2 . 3]" 1
1022 1 78 GLN H 1 78 GLN QG 3.300 . 3.300 2.603 2.013 3.196 . 0 0 "[ . 1 . 2 . 3]" 1
1023 1 78 GLN H 1 78 GLN HG3 3.820 . 3.820 3.151 2.465 3.907 0.087 25 0 "[ . 1 . 2 . 3]" 1
1024 1 78 GLN H 1 78 GLN HG2 3.820 . 3.820 3.157 2.043 3.881 0.061 7 0 "[ . 1 . 2 . 3]" 1
1025 1 78 GLN H 1 79 GLU H 2.910 . 2.910 2.069 1.856 2.384 . 0 0 "[ . 1 . 2 . 3]" 1
1026 1 79 GLU HA 1 80 TRP H 2.830 . 2.830 2.246 2.103 2.366 . 0 0 "[ . 1 . 2 . 3]" 1
1027 1 79 GLU HB2 1 80 TRP HA 4.930 . 4.930 4.425 4.240 4.544 . 0 0 "[ . 1 . 2 . 3]" 1
1028 1 79 GLU HB2 1 80 TRP H 3.300 . 3.300 2.777 2.545 3.264 . 0 0 "[ . 1 . 2 . 3]" 1
1029 1 79 GLU QG 1 80 TRP HA 5.280 . 5.280 4.103 3.669 5.322 0.042 9 0 "[ . 1 . 2 . 3]" 1
1030 1 79 GLU QG 1 80 TRP H 4.750 . 4.750 3.913 3.486 4.506 . 0 0 "[ . 1 . 2 . 3]" 1
1031 1 79 GLU H 1 79 GLU HB3 3.940 . 3.940 3.407 3.069 3.547 . 0 0 "[ . 1 . 2 . 3]" 1
1032 1 79 GLU H 1 79 GLU HG3 4.120 . 4.120 3.284 2.595 3.932 . 0 0 "[ . 1 . 2 . 3]" 1
1033 1 79 GLU H 1 79 GLU HG2 4.120 . 4.120 2.740 2.294 4.134 0.014 14 0 "[ . 1 . 2 . 3]" 1
1034 1 79 GLU H 1 80 TRP H 4.760 . 4.760 4.258 4.157 4.375 . 0 0 "[ . 1 . 2 . 3]" 1
1035 1 80 TRP HA 1 80 TRP HE3 4.210 . 4.210 3.010 2.655 3.268 . 0 0 "[ . 1 . 2 . 3]" 1
1036 1 80 TRP HA 1 81 GLN QG 5.080 . 5.080 4.144 3.574 5.295 0.215 23 0 "[ . 1 . 2 . 3]" 1
1037 1 80 TRP HA 1 81 GLN H 2.680 . 2.680 2.271 1.892 2.332 . 0 0 "[ . 1 . 2 . 3]" 1
1038 1 80 TRP HB3 1 81 GLN H 4.270 . 4.270 3.978 3.880 4.150 . 0 0 "[ . 1 . 2 . 3]" 1
1039 1 80 TRP HB2 1 80 TRP HE3 3.900 . 3.900 2.577 2.441 2.695 . 0 0 "[ . 1 . 2 . 3]" 1
1040 1 80 TRP HB2 1 80 TRP HZ3 5.500 . 5.500 4.931 4.812 5.029 . 0 0 "[ . 1 . 2 . 3]" 1
1041 1 80 TRP HB2 1 81 GLN H 3.920 . 3.920 3.957 3.869 3.999 0.079 19 0 "[ . 1 . 2 . 3]" 1
1042 1 80 TRP HB2 1 82 LEU MD2 5.470 . 5.470 5.036 4.781 5.425 . 0 0 "[ . 1 . 2 . 3]" 1
1043 1 80 TRP HD1 1 82 LEU HA 3.450 . 3.450 2.648 2.460 3.096 . 0 0 "[ . 1 . 2 . 3]" 1
1044 1 80 TRP HD1 1 82 LEU MD2 4.000 . 4.000 2.001 1.852 2.316 . 0 0 "[ . 1 . 2 . 3]" 1
1045 1 80 TRP HD1 1 82 LEU H 4.290 . 4.290 3.668 3.376 3.960 . 0 0 "[ . 1 . 2 . 3]" 1
1046 1 80 TRP HD1 1 83 ALA H 5.170 . 5.170 4.419 4.086 4.963 . 0 0 "[ . 1 . 2 . 3]" 1
1047 1 80 TRP HE1 1 82 LEU HA 3.820 . 3.820 2.891 2.525 3.018 . 0 0 "[ . 1 . 2 . 3]" 1
1048 1 80 TRP HE1 1 82 LEU QB 4.800 . 4.800 4.782 4.446 4.868 0.068 20 0 "[ . 1 . 2 . 3]" 1
1049 1 80 TRP HE1 1 83 ALA MB 4.610 . 4.610 3.885 3.226 4.416 . 0 0 "[ . 1 . 2 . 3]" 1
1050 1 80 TRP HE1 1 83 ALA H 3.980 . 3.980 3.269 2.835 3.770 . 0 0 "[ . 1 . 2 . 3]" 1
1051 1 80 TRP HE1 1 86 ASP QB 4.670 . 4.670 3.076 2.800 3.407 . 0 0 "[ . 1 . 2 . 3]" 1
1052 1 80 TRP H 1 80 TRP HB3 3.740 . 3.740 2.910 2.762 3.072 . 0 0 "[ . 1 . 2 . 3]" 1
1053 1 80 TRP H 1 80 TRP HB2 3.980 . 3.980 3.411 3.314 3.528 . 0 0 "[ . 1 . 2 . 3]" 1
1054 1 80 TRP H 1 81 GLN H 4.350 . 4.350 4.222 4.105 4.290 . 0 0 "[ . 1 . 2 . 3]" 1
1055 1 81 GLN HA 1 81 GLN QG 3.460 . 3.460 3.163 2.360 3.528 0.068 17 0 "[ . 1 . 2 . 3]" 1
1056 1 81 GLN HA 1 82 LEU H 2.830 . 2.830 2.047 1.953 2.149 . 0 0 "[ . 1 . 2 . 3]" 1
1057 1 81 GLN H 1 81 GLN QB 2.990 . 2.990 2.808 2.062 3.050 0.060 18 0 "[ . 1 . 2 . 3]" 1
1058 1 81 GLN H 1 81 GLN QG 3.710 . 3.710 2.531 2.035 3.620 . 0 0 "[ . 1 . 2 . 3]" 1
1059 1 81 GLN H 1 82 LEU H 4.470 . 4.470 4.218 4.102 4.310 . 0 0 "[ . 1 . 2 . 3]" 1
1060 1 82 LEU HA 1 82 LEU MD1 4.030 . 4.030 3.837 3.765 3.890 . 0 0 "[ . 1 . 2 . 3]" 1
1061 1 82 LEU HA 1 82 LEU HG 3.760 . 3.760 3.193 3.099 3.286 . 0 0 "[ . 1 . 2 . 3]" 1
1062 1 82 LEU HA 1 83 ALA MB 4.080 . 4.080 3.957 3.789 4.066 . 0 0 "[ . 1 . 2 . 3]" 1
1063 1 82 LEU HA 1 83 ALA H 3.050 . 3.050 2.169 2.070 2.269 . 0 0 "[ . 1 . 2 . 3]" 1
1064 1 82 LEU HA 1 88 ILE MD 3.620 . 3.620 3.679 3.622 3.784 0.164 27 0 "[ . 1 . 2 . 3]" 1
1065 1 82 LEU QB 1 83 ALA H 4.060 . 4.060 2.864 2.520 3.255 . 0 0 "[ . 1 . 2 . 3]" 1
1066 1 82 LEU MD1 1 88 ILE MD 3.650 . 3.650 3.478 3.038 3.700 0.050 23 0 "[ . 1 . 2 . 3]" 1
1067 1 82 LEU MD2 1 83 ALA H 5.210 . 5.210 3.528 3.266 3.742 . 0 0 "[ . 1 . 2 . 3]" 1
1068 1 82 LEU MD2 1 88 ILE MD 3.210 . 3.210 1.902 1.786 1.991 0.014 14 0 "[ . 1 . 2 . 3]" 1
1069 1 82 LEU H 1 82 LEU QB 3.470 . 3.470 2.541 2.459 2.626 . 0 0 "[ . 1 . 2 . 3]" 1
1070 1 82 LEU H 1 82 LEU MD1 4.120 . 4.120 3.646 3.433 3.824 . 0 0 "[ . 1 . 2 . 3]" 1
1071 1 82 LEU H 1 82 LEU HG 3.000 . 3.000 2.156 1.978 2.303 . 0 0 "[ . 1 . 2 . 3]" 1
1072 1 82 LEU H 1 83 ALA H 4.680 . 4.680 4.579 4.461 4.664 . 0 0 "[ . 1 . 2 . 3]" 1
1073 1 83 ALA HA 1 84 ASP H 2.810 . 2.810 2.413 2.253 2.538 . 0 0 "[ . 1 . 2 . 3]" 1
1074 1 83 ALA HA 1 86 ASP H 5.500 . 5.500 5.401 5.195 5.550 0.050 14 0 "[ . 1 . 2 . 3]" 1
1075 1 83 ALA MB 1 84 ASP H 3.010 . 3.010 2.391 2.175 2.737 . 0 0 "[ . 1 . 2 . 3]" 1
1076 1 83 ALA MB 1 86 ASP H 4.400 . 4.400 4.125 3.802 4.412 0.012 16 0 "[ . 1 . 2 . 3]" 1
1077 1 83 ALA H 1 83 ALA MB 3.260 . 3.260 2.503 2.341 2.628 . 0 0 "[ . 1 . 2 . 3]" 1
1078 1 83 ALA H 1 84 ASP H 4.640 . 4.640 4.333 4.231 4.425 . 0 0 "[ . 1 . 2 . 3]" 1
1079 1 83 ALA H 1 86 ASP QB 4.050 . 4.050 2.728 1.915 3.076 . 0 0 "[ . 1 . 2 . 3]" 1
1080 1 83 ALA H 1 86 ASP HB3 4.720 . 4.720 3.821 2.695 4.317 . 0 0 "[ . 1 . 2 . 3]" 1
1081 1 83 ALA H 1 86 ASP HB2 4.720 . 4.720 2.813 1.932 3.160 . 0 0 "[ . 1 . 2 . 3]" 1
1082 1 83 ALA H 1 86 ASP H 4.660 . 4.660 3.999 3.768 4.283 . 0 0 "[ . 1 . 2 . 3]" 1
1083 1 83 ALA H 1 97 VAL HB 5.240 . 5.240 4.063 3.414 4.436 . 0 0 "[ . 1 . 2 . 3]" 1
1084 1 83 ALA H 1 97 VAL MG1 5.380 . 5.380 3.543 2.515 3.986 . 0 0 "[ . 1 . 2 . 3]" 1
1085 1 83 ALA H 1 97 VAL MG2 4.640 . 4.640 4.411 3.314 4.673 0.033 13 0 "[ . 1 . 2 . 3]" 1
1086 1 84 ASP HA 1 85 GLY H 2.850 . 2.850 2.103 2.057 2.143 . 0 0 "[ . 1 . 2 . 3]" 1
1087 1 84 ASP HA 1 86 ASP H 3.740 . 3.740 3.488 3.276 3.638 . 0 0 "[ . 1 . 2 . 3]" 1
1088 1 84 ASP HA 1 97 VAL MG1 3.850 . 3.850 2.933 2.320 3.447 . 0 0 "[ . 1 . 2 . 3]" 1
1089 1 84 ASP HA 1 98 ARG HA 4.020 . 4.020 2.855 2.406 3.589 . 0 0 "[ . 1 . 2 . 3]" 1
1090 1 84 ASP HA 1 99 MET HA 5.400 . 5.400 5.127 4.721 5.403 0.003 28 0 "[ . 1 . 2 . 3]" 1
1091 1 84 ASP HA 1 99 MET HB2 4.300 . 4.300 3.763 3.283 4.299 . 0 0 "[ . 1 . 2 . 3]" 1
1092 1 84 ASP HA 1 99 MET H 3.620 . 3.620 3.143 2.420 3.627 0.007 28 0 "[ . 1 . 2 . 3]" 1
1093 1 84 ASP QB 1 98 ARG HA 4.920 . 4.920 3.778 3.409 4.410 . 0 0 "[ . 1 . 2 . 3]" 1
1094 1 84 ASP QB 1 99 MET HB2 3.960 . 3.960 2.039 1.876 2.285 . 0 0 "[ . 1 . 2 . 3]" 1
1095 1 84 ASP QB 1 99 MET H 3.880 . 3.880 2.678 2.292 3.130 . 0 0 "[ . 1 . 2 . 3]" 1
1096 1 84 ASP HB3 1 85 GLY H 4.730 . 4.730 4.258 4.015 4.354 . 0 0 "[ . 1 . 2 . 3]" 1
1097 1 84 ASP HB3 1 99 MET HB2 4.710 . 4.710 3.659 3.392 3.954 . 0 0 "[ . 1 . 2 . 3]" 1
1098 1 84 ASP HB3 1 99 MET H 4.480 . 4.480 4.105 3.780 4.408 . 0 0 "[ . 1 . 2 . 3]" 1
1099 1 84 ASP HB2 1 85 GLY H 4.730 . 4.730 4.260 4.144 4.380 . 0 0 "[ . 1 . 2 . 3]" 1
1100 1 84 ASP HB2 1 99 MET HB2 4.710 . 4.710 2.049 1.884 2.299 . 0 0 "[ . 1 . 2 . 3]" 1
1101 1 84 ASP HB2 1 99 MET H 4.480 . 4.480 2.715 2.312 3.202 . 0 0 "[ . 1 . 2 . 3]" 1
1102 1 84 ASP H 1 84 ASP HB3 3.070 . 3.070 2.498 2.379 2.702 . 0 0 "[ . 1 . 2 . 3]" 1
1103 1 84 ASP H 1 84 ASP HB2 3.070 . 3.070 2.618 2.458 2.752 . 0 0 "[ . 1 . 2 . 3]" 1
1104 1 84 ASP H 1 85 GLY H 4.650 . 4.650 4.439 4.348 4.508 . 0 0 "[ . 1 . 2 . 3]" 1
1105 1 84 ASP H 1 99 MET HB2 4.320 . 4.320 3.843 2.984 4.347 0.027 14 0 "[ . 1 . 2 . 3]" 1
1106 1 84 ASP H 1 99 MET HG3 4.180 . 4.180 3.671 3.065 4.067 . 0 0 "[ . 1 . 2 . 3]" 1
1107 1 85 GLY QA 1 98 ARG QD 4.330 . 4.330 3.453 2.617 4.423 0.093 1 0 "[ . 1 . 2 . 3]" 1
1108 1 85 GLY H 1 86 ASP QB 4.970 . 4.970 4.314 4.144 4.490 . 0 0 "[ . 1 . 2 . 3]" 1
1109 1 85 GLY H 1 86 ASP H 3.220 . 3.220 2.280 2.124 2.410 . 0 0 "[ . 1 . 2 . 3]" 1
1110 1 85 GLY H 1 97 VAL HB 4.010 . 4.010 3.689 3.339 4.017 0.007 23 0 "[ . 1 . 2 . 3]" 1
1111 1 85 GLY H 1 97 VAL MG1 4.860 . 4.860 3.604 3.375 3.801 . 0 0 "[ . 1 . 2 . 3]" 1
1112 1 85 GLY H 1 97 VAL MG2 5.270 . 5.270 5.035 4.763 5.258 . 0 0 "[ . 1 . 2 . 3]" 1
1113 1 85 GLY H 1 97 VAL H 4.730 . 4.730 4.020 3.736 4.339 . 0 0 "[ . 1 . 2 . 3]" 1
1114 1 85 GLY H 1 98 ARG HA 3.930 . 3.930 3.066 2.604 3.487 . 0 0 "[ . 1 . 2 . 3]" 1
1115 1 86 ASP HA 1 87 VAL HB 4.860 . 4.860 4.654 4.476 4.774 . 0 0 "[ . 1 . 2 . 3]" 1
1116 1 86 ASP HA 1 87 VAL H 2.880 . 2.880 2.135 1.990 2.392 . 0 0 "[ . 1 . 2 . 3]" 1
1117 1 86 ASP QB 1 87 VAL H 3.610 . 3.610 3.068 2.765 3.631 0.021 4 0 "[ . 1 . 2 . 3]" 1
1118 1 86 ASP QB 1 88 ILE MD 4.020 . 4.020 2.509 1.899 3.769 . 0 0 "[ . 1 . 2 . 3]" 1
1119 1 86 ASP QB 1 88 ILE QG 4.590 . 4.590 3.322 2.260 4.112 . 0 0 "[ . 1 . 2 . 3]" 1
1120 1 86 ASP QB 1 97 VAL MG1 4.060 . 4.060 3.646 3.201 4.061 0.001 1 0 "[ . 1 . 2 . 3]" 1
1121 1 86 ASP HB3 1 87 VAL H 4.280 . 4.280 3.184 2.816 4.194 . 0 0 "[ . 1 . 2 . 3]" 1
1122 1 86 ASP HB2 1 87 VAL H 4.280 . 4.280 4.135 3.978 4.313 0.033 29 0 "[ . 1 . 2 . 3]" 1
1123 1 86 ASP H 1 86 ASP QB 2.970 . 2.970 2.385 2.260 2.453 . 0 0 "[ . 1 . 2 . 3]" 1
1124 1 86 ASP H 1 96 ILE HA 5.500 . 5.500 5.195 4.721 5.520 0.020 2 0 "[ . 1 . 2 . 3]" 1
1125 1 86 ASP H 1 96 ILE MG 4.480 . 4.480 4.044 3.523 4.487 0.007 2 0 "[ . 1 . 2 . 3]" 1
1126 1 86 ASP H 1 97 VAL HB 2.980 . 2.980 2.933 2.502 3.019 0.039 3 0 "[ . 1 . 2 . 3]" 1
1127 1 86 ASP H 1 97 VAL MG1 3.880 . 3.880 3.832 3.552 3.904 0.024 6 0 "[ . 1 . 2 . 3]" 1
1128 1 86 ASP H 1 97 VAL MG2 4.480 . 4.480 4.380 3.953 4.491 0.011 20 0 "[ . 1 . 2 . 3]" 1
1129 1 86 ASP H 1 97 VAL H 4.090 . 4.090 3.572 3.282 3.857 . 0 0 "[ . 1 . 2 . 3]" 1
1130 1 87 VAL HA 1 87 VAL MG1 3.410 . 3.410 2.370 2.326 2.400 . 0 0 "[ . 1 . 2 . 3]" 1
1131 1 87 VAL HA 1 88 ILE HB 4.580 . 4.580 4.462 4.242 4.600 0.020 22 0 "[ . 1 . 2 . 3]" 1
1132 1 87 VAL HA 1 88 ILE H 3.050 . 3.050 2.130 2.035 2.182 . 0 0 "[ . 1 . 2 . 3]" 1
1133 1 87 VAL HA 1 96 ILE QG 4.750 . 4.750 3.393 2.291 4.507 . 0 0 "[ . 1 . 2 . 3]" 1
1134 1 87 VAL HA 1 97 VAL H 4.260 . 4.260 3.762 3.333 4.121 . 0 0 "[ . 1 . 2 . 3]" 1
1135 1 87 VAL HB 1 88 ILE H 4.700 . 4.700 4.236 4.174 4.299 . 0 0 "[ . 1 . 2 . 3]" 1
1136 1 87 VAL MG1 1 88 ILE H 3.310 . 3.310 2.991 2.871 3.061 . 0 0 "[ . 1 . 2 . 3]" 1
1137 1 87 VAL MG2 1 88 ILE H 4.250 . 4.250 4.209 4.098 4.274 0.024 2 0 "[ . 1 . 2 . 3]" 1
1138 1 87 VAL H 1 87 VAL HB 3.460 . 3.460 2.635 2.520 2.696 . 0 0 "[ . 1 . 2 . 3]" 1
1139 1 87 VAL H 1 87 VAL MG1 4.120 . 4.120 3.844 3.791 3.881 . 0 0 "[ . 1 . 2 . 3]" 1
1140 1 87 VAL H 1 87 VAL MG2 3.550 . 3.550 2.401 2.200 2.613 . 0 0 "[ . 1 . 2 . 3]" 1
1141 1 88 ILE HA 1 88 ILE QG 3.680 . 3.680 2.427 2.280 3.051 . 0 0 "[ . 1 . 2 . 3]" 1
1142 1 88 ILE HA 1 88 ILE MG 2.960 . 2.960 2.541 2.407 2.709 . 0 0 "[ . 1 . 2 . 3]" 1
1143 1 88 ILE HA 1 89 ARG HA 5.340 . 5.340 4.363 4.304 4.462 . 0 0 "[ . 1 . 2 . 3]" 1
1144 1 88 ILE HA 1 89 ARG H 3.120 . 3.120 2.163 2.064 2.282 . 0 0 "[ . 1 . 2 . 3]" 1
1145 1 88 ILE HB 1 88 ILE MD 3.310 . 3.310 2.496 2.356 3.248 . 0 0 "[ . 1 . 2 . 3]" 1
1146 1 88 ILE HB 1 89 ARG H 4.770 . 4.770 4.325 4.064 4.517 . 0 0 "[ . 1 . 2 . 3]" 1
1147 1 88 ILE QG 1 88 ILE MG 2.880 . 2.880 2.221 2.067 2.433 . 0 0 "[ . 1 . 2 . 3]" 1
1148 1 88 ILE MG 1 89 ARG H 3.530 . 3.530 2.905 2.485 3.212 . 0 0 "[ . 1 . 2 . 3]" 1
1149 1 88 ILE MG 1 94 GLU HA 4.630 . 4.630 4.503 4.226 4.665 0.035 25 0 "[ . 1 . 2 . 3]" 1
1150 1 88 ILE H 1 88 ILE HB 3.290 . 3.290 2.461 2.285 2.618 . 0 0 "[ . 1 . 2 . 3]" 1
1151 1 88 ILE H 1 94 GLU HA 5.390 . 5.390 4.975 4.576 5.400 0.010 20 0 "[ . 1 . 2 . 3]" 1
1152 1 88 ILE H 1 95 ILE H 4.170 . 4.170 3.268 3.113 3.530 . 0 0 "[ . 1 . 2 . 3]" 1
1153 1 89 ARG HA 1 89 ARG QD 4.480 . 4.480 3.907 2.836 4.292 . 0 0 "[ . 1 . 2 . 3]" 1
1154 1 89 ARG HA 1 89 ARG QG 3.680 . 3.680 2.430 2.259 2.577 . 0 0 "[ . 1 . 2 . 3]" 1
1155 1 89 ARG HA 1 90 LEU HA 5.500 . 5.500 4.317 4.234 4.418 . 0 0 "[ . 1 . 2 . 3]" 1
1156 1 89 ARG HA 1 90 LEU H 2.860 . 2.860 2.061 1.923 2.185 . 0 0 "[ . 1 . 2 . 3]" 1
1157 1 89 ARG HA 1 93 SER H 5.390 . 5.390 5.017 4.302 5.444 0.054 11 0 "[ . 1 . 2 . 3]" 1
1158 1 89 ARG QB 1 90 LEU H 4.540 . 4.540 3.547 2.969 3.881 . 0 0 "[ . 1 . 2 . 3]" 1
1159 1 89 ARG QD 1 94 GLU HA 5.340 . 5.340 4.776 3.493 5.393 0.053 9 0 "[ . 1 . 2 . 3]" 1
1160 1 89 ARG QG 1 90 LEU H 4.010 . 4.010 3.289 2.181 4.083 0.073 1 0 "[ . 1 . 2 . 3]" 1
1161 1 89 ARG QG 1 94 GLU HA 4.350 . 4.350 3.152 2.344 3.804 . 0 0 "[ . 1 . 2 . 3]" 1
1162 1 89 ARG QG 1 94 GLU QB 3.430 . 3.430 2.213 1.797 2.756 0.003 11 0 "[ . 1 . 2 . 3]" 1
1163 1 89 ARG QG 1 94 GLU QG 4.720 . 4.720 3.914 1.969 4.538 . 0 0 "[ . 1 . 2 . 3]" 1
1164 1 89 ARG H 1 89 ARG QB 3.590 . 3.590 2.520 2.366 2.723 . 0 0 "[ . 1 . 2 . 3]" 1
1165 1 89 ARG H 1 89 ARG HB3 4.090 . 4.090 3.042 2.520 3.854 . 0 0 "[ . 1 . 2 . 3]" 1
1166 1 89 ARG H 1 89 ARG HB2 4.090 . 4.090 2.876 2.464 3.333 . 0 0 "[ . 1 . 2 . 3]" 1
1167 1 90 LEU HA 1 90 LEU MD1 4.150 . 4.150 4.123 4.084 4.153 0.003 28 0 "[ . 1 . 2 . 3]" 1
1168 1 90 LEU HA 1 90 LEU MD2 4.150 . 4.150 3.609 3.524 3.678 . 0 0 "[ . 1 . 2 . 3]" 1
1169 1 90 LEU HA 1 91 GLY HA2 4.310 . 4.310 4.255 4.152 4.315 0.005 2 0 "[ . 1 . 2 . 3]" 1
1170 1 90 LEU HA 1 91 GLY H 2.930 . 2.930 2.410 2.184 2.517 . 0 0 "[ . 1 . 2 . 3]" 1
1171 1 90 LEU QB 1 90 LEU MD1 3.260 . 3.260 2.053 2.023 2.079 . 0 0 "[ . 1 . 2 . 3]" 1
1172 1 90 LEU QB 1 91 GLY H 3.560 . 3.560 2.417 2.215 2.902 . 0 0 "[ . 1 . 2 . 3]" 1
1173 1 90 LEU HB3 1 91 GLY H 4.120 . 4.120 3.749 3.549 4.091 . 0 0 "[ . 1 . 2 . 3]" 1
1174 1 90 LEU HB2 1 91 GLY H 4.120 . 4.120 2.448 2.238 2.968 . 0 0 "[ . 1 . 2 . 3]" 1
1175 1 90 LEU MD1 1 93 SER QB 5.310 . 5.310 3.449 2.622 4.622 . 0 0 "[ . 1 . 2 . 3]" 1
1176 1 90 LEU MD2 1 91 GLY H 4.920 . 4.920 4.653 4.430 4.869 . 0 0 "[ . 1 . 2 . 3]" 1
1177 1 90 LEU MD2 1 93 SER QB 4.000 . 4.000 2.788 2.116 3.944 . 0 0 "[ . 1 . 2 . 3]" 1
1178 1 90 LEU MD2 1 93 SER HB3 4.770 . 4.770 3.361 2.385 4.736 . 0 0 "[ . 1 . 2 . 3]" 1
1179 1 90 LEU MD2 1 93 SER HB2 4.770 . 4.770 3.375 2.172 4.673 . 0 0 "[ . 1 . 2 . 3]" 1
1180 1 90 LEU MD2 1 93 SER H 5.040 . 5.040 3.871 2.930 4.440 . 0 0 "[ . 1 . 2 . 3]" 1
1181 1 90 LEU HG 1 91 GLY H 4.750 . 4.750 3.879 3.485 4.315 . 0 0 "[ . 1 . 2 . 3]" 1
1182 1 90 LEU HG 1 93 SER QB 4.390 . 4.390 2.648 1.950 4.469 0.079 19 0 "[ . 1 . 2 . 3]" 1
1183 1 90 LEU HG 1 93 SER H 4.420 . 4.420 3.286 2.112 4.100 . 0 0 "[ . 1 . 2 . 3]" 1
1184 1 90 LEU H 1 90 LEU QB 3.590 . 3.590 3.068 2.794 3.198 . 0 0 "[ . 1 . 2 . 3]" 1
1185 1 90 LEU H 1 90 LEU MD2 3.080 . 3.080 1.859 1.765 2.069 0.035 7 0 "[ . 1 . 2 . 3]" 1
1186 1 90 LEU H 1 90 LEU HG 3.670 . 3.670 3.036 2.687 3.415 . 0 0 "[ . 1 . 2 . 3]" 1
1187 1 90 LEU H 1 91 GLY H 4.600 . 4.600 4.384 4.215 4.579 . 0 0 "[ . 1 . 2 . 3]" 1
1188 1 90 LEU H 1 93 SER H 3.850 . 3.850 3.545 3.188 3.872 0.022 30 0 "[ . 1 . 2 . 3]" 1
1189 1 90 LEU H 1 94 GLU HA 4.030 . 4.030 2.965 2.603 3.426 . 0 0 "[ . 1 . 2 . 3]" 1
1190 1 90 LEU H 1 94 GLU QB 4.460 . 4.460 4.084 3.533 4.526 0.066 6 0 "[ . 1 . 2 . 3]" 1
1191 1 91 GLY HA3 1 92 HIS H 3.620 . 3.620 3.376 3.186 3.468 . 0 0 "[ . 1 . 2 . 3]" 1
1192 1 91 GLY HA2 1 92 HIS QB 4.710 . 4.710 4.336 3.815 4.557 . 0 0 "[ . 1 . 2 . 3]" 1
1193 1 91 GLY HA2 1 92 HIS H 3.210 . 3.210 2.150 2.076 2.241 . 0 0 "[ . 1 . 2 . 3]" 1
1194 1 91 GLY HA2 1 93 SER H 4.570 . 4.570 4.019 3.808 4.574 0.004 30 0 "[ . 1 . 2 . 3]" 1
1195 1 91 GLY H 1 92 HIS H 4.670 . 4.670 4.194 3.834 4.489 . 0 0 "[ . 1 . 2 . 3]" 1
1196 1 91 GLY H 1 93 SER H 5.410 . 5.410 4.577 4.304 5.095 . 0 0 "[ . 1 . 2 . 3]" 1
1197 1 92 HIS HA 1 93 SER H 3.500 . 3.500 3.268 2.992 3.553 0.053 30 0 "[ . 1 . 2 . 3]" 1
1198 1 92 HIS QB 1 93 SER H 4.550 . 4.550 3.346 2.108 3.805 . 0 0 "[ . 1 . 2 . 3]" 1
1199 1 92 HIS H 1 92 HIS QB 3.580 . 3.580 3.272 2.871 3.463 . 0 0 "[ . 1 . 2 . 3]" 1
1200 1 92 HIS H 1 93 SER H 3.090 . 3.090 2.744 2.183 3.144 0.054 17 0 "[ . 1 . 2 . 3]" 1
1201 1 93 SER HA 1 94 GLU QG 3.970 . 3.970 3.776 3.488 4.111 0.141 4 0 "[ . 1 . 2 . 3]" 1
1202 1 93 SER HA 1 94 GLU H 2.980 . 2.980 2.299 2.101 2.696 . 0 0 "[ . 1 . 2 . 3]" 1
1203 1 93 SER QB 1 94 GLU H 3.570 . 3.570 3.160 2.001 3.614 0.044 18 0 "[ . 1 . 2 . 3]" 1
1204 1 93 SER HB3 1 94 GLU H 4.210 . 4.210 3.375 2.440 3.931 . 0 0 "[ . 1 . 2 . 3]" 1
1205 1 93 SER HB2 1 94 GLU H 4.210 . 4.210 3.974 2.012 4.273 0.063 1 0 "[ . 1 . 2 . 3]" 1
1206 1 93 SER H 1 93 SER QB 3.200 . 3.200 2.730 2.397 3.239 0.039 19 0 "[ . 1 . 2 . 3]" 1
1207 1 93 SER H 1 94 GLU H 4.570 . 4.570 4.255 3.931 4.516 . 0 0 "[ . 1 . 2 . 3]" 1
1208 1 94 GLU HA 1 95 ILE H 3.120 . 3.120 2.161 2.011 2.334 . 0 0 "[ . 1 . 2 . 3]" 1
1209 1 94 GLU HB3 1 95 ILE H 4.140 . 4.140 3.911 3.305 4.162 0.022 15 0 "[ . 1 . 2 . 3]" 1
1210 1 94 GLU HB2 1 95 ILE H 4.140 . 4.140 3.020 2.595 4.158 0.018 6 0 "[ . 1 . 2 . 3]" 1
1211 1 94 GLU H 1 94 GLU QB 3.410 . 3.410 3.052 2.559 3.253 . 0 0 "[ . 1 . 2 . 3]" 1
1212 1 94 GLU H 1 94 GLU HB3 4.200 . 4.200 3.266 2.914 3.708 . 0 0 "[ . 1 . 2 . 3]" 1
1213 1 94 GLU H 1 94 GLU HB2 4.200 . 4.200 3.744 2.608 3.943 . 0 0 "[ . 1 . 2 . 3]" 1
1214 1 94 GLU H 1 94 GLU QG 3.990 . 3.990 2.260 1.902 2.600 . 0 0 "[ . 1 . 2 . 3]" 1
1215 1 95 ILE HA 1 95 ILE MD 3.610 . 3.610 2.603 1.973 3.631 0.021 6 0 "[ . 1 . 2 . 3]" 1
1216 1 95 ILE HA 1 95 ILE MG 3.520 . 3.520 3.202 2.429 3.257 . 0 0 "[ . 1 . 2 . 3]" 1
1217 1 95 ILE HA 1 96 ILE QG 5.340 . 5.340 3.806 3.256 4.783 . 0 0 "[ . 1 . 2 . 3]" 1
1218 1 95 ILE HA 1 96 ILE H 3.150 . 3.150 2.230 2.099 2.401 . 0 0 "[ . 1 . 2 . 3]" 1
1219 1 95 ILE MD 1 96 ILE H 3.440 . 3.440 2.893 2.543 3.401 . 0 0 "[ . 1 . 2 . 3]" 1
1220 1 95 ILE QG 1 96 ILE H 4.600 . 4.600 2.588 2.324 4.359 . 0 0 "[ . 1 . 2 . 3]" 1
1221 1 95 ILE QG 1 97 VAL HA 5.340 . 5.340 4.260 3.985 5.259 . 0 0 "[ . 1 . 2 . 3]" 1
1222 1 95 ILE H 1 95 ILE HB 3.670 . 3.670 3.161 2.688 3.788 0.118 6 0 "[ . 1 . 2 . 3]" 1
1223 1 95 ILE H 1 95 ILE MG 3.710 . 3.710 2.264 2.045 2.939 . 0 0 "[ . 1 . 2 . 3]" 1
1224 1 96 ILE HA 1 97 VAL HB 5.150 . 5.150 4.509 4.433 4.568 . 0 0 "[ . 1 . 2 . 3]" 1
1225 1 96 ILE HA 1 97 VAL H 3.100 . 3.100 2.155 2.085 2.225 . 0 0 "[ . 1 . 2 . 3]" 1
1226 1 96 ILE HB 1 97 VAL H 4.780 . 4.780 4.137 3.968 4.304 . 0 0 "[ . 1 . 2 . 3]" 1
1227 1 96 ILE QG 1 97 VAL H 4.550 . 4.550 4.297 4.085 4.632 0.082 11 0 "[ . 1 . 2 . 3]" 1
1228 1 96 ILE MG 1 97 VAL H 3.550 . 3.550 2.663 2.449 2.920 . 0 0 "[ . 1 . 2 . 3]" 1
1229 1 96 ILE H 1 96 ILE HB 3.300 . 3.300 2.588 2.528 2.654 . 0 0 "[ . 1 . 2 . 3]" 1
1230 1 96 ILE H 1 96 ILE MD 4.270 . 4.270 3.453 2.243 4.045 . 0 0 "[ . 1 . 2 . 3]" 1
1231 1 96 ILE H 1 96 ILE QG 3.810 . 3.810 2.818 2.335 3.625 . 0 0 "[ . 1 . 2 . 3]" 1
1232 1 96 ILE H 1 97 VAL H 4.580 . 4.580 4.365 4.264 4.449 . 0 0 "[ . 1 . 2 . 3]" 1
1233 1 97 VAL HA 1 97 VAL MG2 3.360 . 3.360 2.280 2.220 2.330 . 0 0 "[ . 1 . 2 . 3]" 1
1234 1 97 VAL HA 1 98 ARG HG2 5.500 . 5.500 4.045 3.772 5.583 0.083 2 0 "[ . 1 . 2 . 3]" 1
1235 1 97 VAL HA 1 98 ARG H 2.740 . 2.740 2.128 2.033 2.186 . 0 0 "[ . 1 . 2 . 3]" 1
1236 1 97 VAL HB 1 98 ARG HA 5.500 . 5.500 4.930 4.798 5.086 . 0 0 "[ . 1 . 2 . 3]" 1
1237 1 97 VAL HB 1 98 ARG H 4.510 . 4.510 4.324 4.208 4.416 . 0 0 "[ . 1 . 2 . 3]" 1
1238 1 97 VAL MG1 1 98 ARG HA 5.050 . 5.050 3.497 3.343 3.621 . 0 0 "[ . 1 . 2 . 3]" 1
1239 1 97 VAL MG1 1 98 ARG HB2 5.500 . 5.500 4.717 4.523 4.912 . 0 0 "[ . 1 . 2 . 3]" 1
1240 1 97 VAL MG1 1 98 ARG H 3.920 . 3.920 2.796 2.640 2.994 . 0 0 "[ . 1 . 2 . 3]" 1
1241 1 97 VAL MG2 1 98 ARG H 4.130 . 4.130 3.886 3.740 3.996 . 0 0 "[ . 1 . 2 . 3]" 1
1242 1 97 VAL H 1 97 VAL HB 3.480 . 3.480 2.424 2.369 2.496 . 0 0 "[ . 1 . 2 . 3]" 1
1243 1 97 VAL H 1 97 VAL MG1 3.710 . 3.710 3.745 3.727 3.775 0.065 7 0 "[ . 1 . 2 . 3]" 1
1244 1 97 VAL H 1 97 VAL MG2 4.020 . 4.020 2.537 2.341 2.741 . 0 0 "[ . 1 . 2 . 3]" 1
1245 1 97 VAL H 1 98 ARG H 4.680 . 4.680 4.429 4.286 4.519 . 0 0 "[ . 1 . 2 . 3]" 1
1246 1 98 ARG HA 1 98 ARG HD3 4.030 . 4.030 3.200 1.934 3.838 . 0 0 "[ . 1 . 2 . 3]" 1
1247 1 98 ARG HA 1 98 ARG HD2 4.030 . 4.030 2.638 1.947 4.032 0.002 27 0 "[ . 1 . 2 . 3]" 1
1248 1 98 ARG HA 1 98 ARG HG2 3.930 . 3.930 2.971 2.451 3.261 . 0 0 "[ . 1 . 2 . 3]" 1
1249 1 98 ARG HA 1 99 MET H 2.750 . 2.750 2.134 2.023 2.229 . 0 0 "[ . 1 . 2 . 3]" 1
1250 1 98 ARG HB3 1 99 MET H 3.930 . 3.930 2.958 2.581 3.795 . 0 0 "[ . 1 . 2 . 3]" 1
1251 1 98 ARG HB3 1 100 HIS HD2 5.390 . 5.390 3.935 2.589 5.028 . 0 0 "[ . 1 . 2 . 3]" 1
1252 1 98 ARG HB2 1 98 ARG HG3 3.000 . 3.000 2.394 2.236 2.474 . 0 0 "[ . 1 . 2 . 3]" 1
1253 1 98 ARG HB2 1 100 HIS HD2 5.430 . 5.430 3.968 3.175 5.063 . 0 0 "[ . 1 . 2 . 3]" 1
1254 1 98 ARG QD 1 99 MET H 4.350 . 4.350 3.707 2.315 4.399 0.049 1 0 "[ . 1 . 2 . 3]" 1
1255 1 98 ARG HG2 1 99 MET H 4.820 . 4.820 4.814 4.159 4.929 0.109 30 0 "[ . 1 . 2 . 3]" 1
1256 1 98 ARG H 1 98 ARG HB3 3.670 . 3.670 3.657 2.996 3.718 0.048 21 0 "[ . 1 . 2 . 3]" 1
1257 1 98 ARG H 1 98 ARG HB2 3.600 . 3.600 2.523 2.412 2.618 . 0 0 "[ . 1 . 2 . 3]" 1
1258 1 98 ARG H 1 98 ARG HG2 4.220 . 4.220 2.987 2.699 4.181 . 0 0 "[ . 1 . 2 . 3]" 1
1259 1 98 ARG H 1 99 MET H 4.660 . 4.660 4.307 4.209 4.362 . 0 0 "[ . 1 . 2 . 3]" 1
1260 1 99 MET HA 1 99 MET HG2 3.770 . 3.770 2.498 2.389 2.622 . 0 0 "[ . 1 . 2 . 3]" 1
1261 1 99 MET HA 1 100 HIS HD2 4.920 . 4.920 3.375 2.868 4.083 . 0 0 "[ . 1 . 2 . 3]" 1
1262 1 99 MET HA 1 100 HIS H 2.690 . 2.690 2.043 1.967 2.186 . 0 0 "[ . 1 . 2 . 3]" 1
1263 1 99 MET HB3 1 100 HIS H 3.780 . 3.780 3.237 2.708 3.519 . 0 0 "[ . 1 . 2 . 3]" 1
1264 1 99 MET HB2 1 100 HIS H 4.220 . 4.220 4.168 3.857 4.269 0.049 10 0 "[ . 1 . 2 . 3]" 1
1265 1 99 MET HG2 1 100 HIS H 4.320 . 4.320 4.193 3.840 4.370 0.050 5 0 "[ . 1 . 2 . 3]" 1
1266 1 99 MET H 1 99 MET HB3 3.870 . 3.870 3.795 3.691 3.886 0.016 3 0 "[ . 1 . 2 . 3]" 1
1267 1 99 MET H 1 99 MET HB2 3.280 . 3.280 2.685 2.516 2.827 . 0 0 "[ . 1 . 2 . 3]" 1
1268 1 99 MET H 1 99 MET HG3 3.900 . 3.900 3.131 2.907 3.309 . 0 0 "[ . 1 . 2 . 3]" 1
1269 1 99 MET H 1 100 HIS H 4.750 . 4.750 4.208 3.914 4.413 . 0 0 "[ . 1 . 2 . 3]" 1
1270 1 100 HIS H 1 100 HIS HB3 3.850 . 3.850 3.672 3.584 3.778 . 0 0 "[ . 1 . 2 . 3]" 1
1271 1 100 HIS H 1 100 HIS HB2 3.980 . 3.980 2.537 2.389 2.702 . 0 0 "[ . 1 . 2 . 3]" 1
1272 1 100 HIS H 1 100 HIS HD2 4.090 . 4.090 2.708 2.308 3.210 . 0 0 "[ . 1 . 2 . 3]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 64
_Distance_constraint_stats_list.Viol_count 341
_Distance_constraint_stats_list.Viol_total 411.917
_Distance_constraint_stats_list.Viol_max 1.560
_Distance_constraint_stats_list.Viol_rms 0.0685
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0072
_Distance_constraint_stats_list.Viol_average_violations_only 0.0403
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 9 VAL 0.060 0.023 2 0 "[ . 1 . 2 . 3]"
1 10 THR 0.616 0.063 10 0 "[ . 1 . 2 . 3]"
1 11 LEU 0.341 0.046 10 0 "[ . 1 . 2 . 3]"
1 12 GLN 0.565 0.071 29 0 "[ . 1 . 2 . 3]"
1 13 LEU 0.422 0.049 30 0 "[ . 1 . 2 . 3]"
1 19 ARG 0.422 0.049 30 0 "[ . 1 . 2 . 3]"
1 21 TYR 0.341 0.046 10 0 "[ . 1 . 2 . 3]"
1 23 LEU 0.060 0.023 2 0 "[ . 1 . 2 . 3]"
1 26 GLY 0.144 0.033 1 0 "[ . 1 . 2 . 3]"
1 28 ASN 0.577 0.061 15 0 "[ . 1 . 2 . 3]"
1 29 ILE 0.091 0.034 27 0 "[ . 1 . 2 . 3]"
1 30 ILE 1.294 0.083 5 0 "[ . 1 . 2 . 3]"
1 31 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 38 PHE 0.091 0.034 27 0 "[ . 1 . 2 . 3]"
1 49 HIS 0.197 0.036 13 0 "[ . 1 . 2 . 3]"
1 50 LEU 1.294 0.083 5 0 "[ . 1 . 2 . 3]"
1 51 GLU 0.191 0.043 15 0 "[ . 1 . 2 . 3]"
1 52 ILE 0.577 0.061 15 0 "[ . 1 . 2 . 3]"
1 53 ARG 0.123 0.024 5 0 "[ . 1 . 2 . 3]"
1 54 TRP 0.144 0.033 1 0 "[ . 1 . 2 . 3]"
1 60 LEU 0.123 0.024 5 0 "[ . 1 . 2 . 3]"
1 61 LEU 0.193 0.028 4 0 "[ . 1 . 2 . 3]"
1 62 ALA 0.191 0.043 15 0 "[ . 1 . 2 . 3]"
1 63 ASP 0.134 0.059 15 0 "[ . 1 . 2 . 3]"
1 64 LEU 0.197 0.036 13 0 "[ . 1 . 2 . 3]"
1 71 THR 0.217 0.028 21 0 "[ . 1 . 2 . 3]"
1 72 VAL 0.342 0.038 22 0 "[ . 1 . 2 . 3]"
1 75 ALA 0.342 0.038 22 0 "[ . 1 . 2 . 3]"
1 78 GLN 0.134 0.059 15 0 "[ . 1 . 2 . 3]"
1 80 TRP 0.193 0.028 4 0 "[ . 1 . 2 . 3]"
1 84 ASP 6.600 1.560 20 2 "[ -. 1 . + . 3]"
1 85 GLY 0.695 0.068 1 0 "[ . 1 . 2 . 3]"
1 86 ASP 0.025 0.017 20 0 "[ . 1 . 2 . 3]"
1 88 ILE 0.830 0.068 28 0 "[ . 1 . 2 . 3]"
1 89 ARG 0.217 0.028 21 0 "[ . 1 . 2 . 3]"
1 90 LEU 0.075 0.046 28 0 "[ . 1 . 2 . 3]"
1 93 SER 0.075 0.046 28 0 "[ . 1 . 2 . 3]"
1 95 ILE 0.830 0.068 28 0 "[ . 1 . 2 . 3]"
1 96 ILE 0.565 0.071 29 0 "[ . 1 . 2 . 3]"
1 97 VAL 0.720 0.068 1 0 "[ . 1 . 2 . 3]"
1 98 ARG 0.616 0.063 10 0 "[ . 1 . 2 . 3]"
1 99 MET 6.600 1.560 20 2 "[ -. 1 . + . 3]"
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 10 THR H 1 98 ARG O 2.300 . 2.300 1.787 1.737 1.842 0.063 10 0 "[ . 1 . 2 . 3]" 2
2 1 10 THR N 1 98 ARG O 3.300 . 3.300 2.755 2.716 2.812 . 0 0 "[ . 1 . 2 . 3]" 2
3 1 11 LEU H 1 21 TYR O 2.300 . 2.300 1.812 1.754 1.928 0.046 10 0 "[ . 1 . 2 . 3]" 2
4 1 11 LEU N 1 21 TYR O 3.300 . 3.300 2.776 2.724 2.874 . 0 0 "[ . 1 . 2 . 3]" 2
5 1 12 GLN H 1 96 ILE O 2.300 . 2.300 1.805 1.729 1.963 0.071 29 0 "[ . 1 . 2 . 3]" 2
6 1 12 GLN N 1 96 ILE O 3.300 . 3.300 2.759 2.690 2.898 . 0 0 "[ . 1 . 2 . 3]" 2
7 1 13 LEU H 1 19 ARG O 2.300 . 2.300 1.837 1.751 2.099 0.049 30 0 "[ . 1 . 2 . 3]" 2
8 1 13 LEU N 1 19 ARG O 3.300 . 3.300 2.793 2.690 3.076 . 0 0 "[ . 1 . 2 . 3]" 2
9 1 11 LEU O 1 21 TYR H 2.300 . 2.300 1.990 1.804 2.145 . 0 0 "[ . 1 . 2 . 3]" 2
10 1 11 LEU O 1 21 TYR N 3.300 . 3.300 2.920 2.756 3.043 . 0 0 "[ . 1 . 2 . 3]" 2
11 1 9 VAL O 1 23 LEU H 2.300 . 2.300 1.903 1.777 2.092 0.023 2 0 "[ . 1 . 2 . 3]" 2
12 1 9 VAL O 1 23 LEU N 3.300 . 3.300 2.876 2.754 3.074 . 0 0 "[ . 1 . 2 . 3]" 2
13 1 28 ASN H 1 52 ILE O 2.300 . 2.300 1.795 1.739 1.918 0.061 15 0 "[ . 1 . 2 . 3]" 2
14 1 28 ASN N 1 52 ILE O 3.300 . 3.300 2.756 2.689 2.872 . 0 0 "[ . 1 . 2 . 3]" 2
15 1 30 ILE H 1 50 LEU O 2.300 . 2.300 1.771 1.717 1.835 0.083 5 0 "[ . 1 . 2 . 3]" 2
16 1 30 ILE N 1 50 LEU O 3.300 . 3.300 2.734 2.676 2.815 . 0 0 "[ . 1 . 2 . 3]" 2
17 1 31 GLY H 1 38 PHE O 2.300 . 2.300 1.952 1.818 2.250 . 0 0 "[ . 1 . 2 . 3]" 2
18 1 31 GLY N 1 38 PHE O 3.300 . 3.300 2.906 2.783 3.204 . 0 0 "[ . 1 . 2 . 3]" 2
19 1 29 ILE O 1 38 PHE H 2.300 . 2.300 1.944 1.766 2.201 0.034 27 0 "[ . 1 . 2 . 3]" 2
20 1 29 ILE O 1 38 PHE N 3.300 . 3.300 2.904 2.744 3.171 . 0 0 "[ . 1 . 2 . 3]" 2
21 1 30 ILE O 1 50 LEU H 2.300 . 2.300 2.252 2.014 2.358 0.058 9 0 "[ . 1 . 2 . 3]" 2
22 1 30 ILE O 1 50 LEU N 3.300 . 3.300 3.161 2.929 3.305 0.005 27 0 "[ . 1 . 2 . 3]" 2
23 1 51 GLU H 1 62 ALA O 2.300 . 2.300 1.838 1.757 2.096 0.043 15 0 "[ . 1 . 2 . 3]" 2
24 1 51 GLU N 1 62 ALA O 3.300 . 3.300 2.814 2.720 3.057 . 0 0 "[ . 1 . 2 . 3]" 2
25 1 28 ASN O 1 52 ILE H 2.300 . 2.300 1.902 1.792 2.060 0.008 20 0 "[ . 1 . 2 . 3]" 2
26 1 28 ASN O 1 52 ILE N 3.300 . 3.300 2.865 2.744 3.035 . 0 0 "[ . 1 . 2 . 3]" 2
27 1 53 ARG H 1 60 LEU O 2.300 . 2.300 1.831 1.776 1.983 0.024 5 0 "[ . 1 . 2 . 3]" 2
28 1 53 ARG N 1 60 LEU O 3.300 . 3.300 2.747 2.686 2.886 . 0 0 "[ . 1 . 2 . 3]" 2
29 1 26 GLY O 1 54 TRP H 2.300 . 2.300 1.844 1.767 2.027 0.033 1 0 "[ . 1 . 2 . 3]" 2
30 1 26 GLY O 1 54 TRP N 3.300 . 3.300 2.799 2.732 2.973 . 0 0 "[ . 1 . 2 . 3]" 2
31 1 53 ARG O 1 60 LEU H 2.300 . 2.300 1.894 1.791 2.041 0.009 24 0 "[ . 1 . 2 . 3]" 2
32 1 53 ARG O 1 60 LEU N 3.300 . 3.300 2.835 2.712 2.984 . 0 0 "[ . 1 . 2 . 3]" 2
33 1 61 LEU H 1 80 TRP O 2.300 . 2.300 1.844 1.772 2.034 0.028 4 0 "[ . 1 . 2 . 3]" 2
34 1 61 LEU N 1 80 TRP O 3.300 . 3.300 2.761 2.680 2.876 . 0 0 "[ . 1 . 2 . 3]" 2
35 1 51 GLU O 1 62 ALA H 2.300 . 2.300 1.985 1.827 2.317 0.017 7 0 "[ . 1 . 2 . 3]" 2
36 1 51 GLU O 1 62 ALA N 3.300 . 3.300 2.917 2.781 3.223 . 0 0 "[ . 1 . 2 . 3]" 2
37 1 63 ASP H 1 78 GLN O 2.300 . 2.300 1.900 1.741 2.119 0.059 15 0 "[ . 1 . 2 . 3]" 2
38 1 63 ASP N 1 78 GLN O 3.300 . 3.300 2.844 2.718 3.008 . 0 0 "[ . 1 . 2 . 3]" 2
39 1 49 HIS O 1 64 LEU H 2.300 . 2.300 1.834 1.764 2.165 0.036 13 0 "[ . 1 . 2 . 3]" 2
40 1 49 HIS O 1 64 LEU N 3.300 . 3.300 2.736 2.681 2.932 . 0 0 "[ . 1 . 2 . 3]" 2
41 1 72 VAL H 1 75 ALA O 2.300 . 2.300 1.807 1.762 1.925 0.038 22 0 "[ . 1 . 2 . 3]" 2
42 1 72 VAL N 1 75 ALA O 3.300 . 3.300 2.764 2.730 2.879 . 0 0 "[ . 1 . 2 . 3]" 2
43 1 72 VAL O 1 75 ALA H 2.300 . 2.300 1.936 1.853 2.206 . 0 0 "[ . 1 . 2 . 3]" 2
44 1 72 VAL O 1 75 ALA N 3.300 . 3.300 2.858 2.792 3.133 . 0 0 "[ . 1 . 2 . 3]" 2
45 1 61 LEU O 1 80 TRP H 2.300 . 2.300 1.939 1.812 2.134 . 0 0 "[ . 1 . 2 . 3]" 2
46 1 61 LEU O 1 80 TRP N 3.300 . 3.300 2.860 2.773 3.025 . 0 0 "[ . 1 . 2 . 3]" 2
47 1 85 GLY H 1 97 VAL O 2.300 . 2.300 1.781 1.732 1.843 0.068 1 0 "[ . 1 . 2 . 3]" 2
48 1 85 GLY N 1 97 VAL O 3.300 . 3.300 2.753 2.696 2.807 . 0 0 "[ . 1 . 2 . 3]" 2
49 1 88 ILE H 1 95 ILE O 2.300 . 2.300 1.856 1.740 2.036 0.060 29 0 "[ . 1 . 2 . 3]" 2
50 1 88 ILE N 1 95 ILE O 3.300 . 3.300 2.808 2.702 2.995 . 0 0 "[ . 1 . 2 . 3]" 2
51 1 71 THR O 1 89 ARG H 2.300 . 2.300 1.822 1.772 2.017 0.028 21 0 "[ . 1 . 2 . 3]" 2
52 1 71 THR O 1 89 ARG N 3.300 . 3.300 2.767 2.702 2.839 . 0 0 "[ . 1 . 2 . 3]" 2
53 1 90 LEU H 1 93 SER O 2.300 . 2.300 1.996 1.797 2.346 0.046 28 0 "[ . 1 . 2 . 3]" 2
54 1 90 LEU N 1 93 SER O 3.300 . 3.300 2.917 2.740 3.316 0.016 28 0 "[ . 1 . 2 . 3]" 2
55 1 88 ILE O 1 95 ILE H 2.300 . 2.300 1.797 1.732 2.022 0.068 28 0 "[ . 1 . 2 . 3]" 2
56 1 88 ILE O 1 95 ILE N 3.300 . 3.300 2.766 2.710 2.986 . 0 0 "[ . 1 . 2 . 3]" 2
57 1 12 GLN O 1 96 ILE H 2.300 . 2.300 1.915 1.756 2.307 0.044 6 0 "[ . 1 . 2 . 3]" 2
58 1 12 GLN O 1 96 ILE N 3.300 . 3.300 2.877 2.705 3.272 . 0 0 "[ . 1 . 2 . 3]" 2
59 1 86 ASP O 1 97 VAL H 2.300 . 2.300 2.025 1.835 2.317 0.017 20 0 "[ . 1 . 2 . 3]" 2
60 1 86 ASP O 1 97 VAL N 3.300 . 3.300 2.998 2.805 3.294 . 0 0 "[ . 1 . 2 . 3]" 2
61 1 10 THR O 1 98 ARG H 2.300 . 2.300 1.866 1.788 1.980 0.012 11 0 "[ . 1 . 2 . 3]" 2
62 1 10 THR O 1 98 ARG N 3.300 . 3.300 2.818 2.730 2.955 . 0 0 "[ . 1 . 2 . 3]" 2
63 1 84 ASP OD1 1 99 MET H 2.300 . 2.300 1.933 1.749 3.860 1.560 20 2 "[ -. 1 . + . 3]" 2
64 1 84 ASP OD1 1 99 MET N 3.300 . 3.300 2.895 2.697 4.835 1.535 20 2 "[ -. 1 . + . 3]" 2
stop_
save_
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