NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
408936 |
1z3k   |
6575 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1z3k
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 724
_Distance_constraint_stats_list.Viol_count 708
_Distance_constraint_stats_list.Viol_total 653.076
_Distance_constraint_stats_list.Viol_max 0.445
_Distance_constraint_stats_list.Viol_rms 0.0371
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0090
_Distance_constraint_stats_list.Viol_average_violations_only 0.0922
_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 2 GLU 0.000 0.000 . 0 "[ . 1]"
1 3 TRP 0.058 0.058 3 0 "[ . 1]"
1 4 TYR 0.083 0.058 3 0 "[ . 1]"
1 5 TYR 0.272 0.121 8 0 "[ . 1]"
1 6 GLY 1.259 0.203 1 0 "[ . 1]"
1 7 ASN 1.532 0.203 1 0 "[ . 1]"
1 8 VAL 1.578 0.287 6 0 "[ . 1]"
1 9 THR 2.646 0.445 3 0 "[ . 1]"
1 10 ARG 2.943 0.282 4 0 "[ . 1]"
1 11 HIS 1.549 0.445 3 0 "[ . 1]"
1 12 GLN 0.920 0.178 6 0 "[ . 1]"
1 13 ALA 2.436 0.293 8 0 "[ . 1]"
1 14 GLU 4.405 0.280 3 0 "[ . 1]"
1 15 CYS 1.372 0.280 3 0 "[ . 1]"
1 16 ALA 0.939 0.250 10 0 "[ . 1]"
1 17 LEU 1.655 0.276 2 0 "[ . 1]"
1 18 ASN 4.707 0.348 6 0 "[ . 1]"
1 19 GLU 1.219 0.251 5 0 "[ . 1]"
1 20 ARG 1.006 0.178 7 0 "[ . 1]"
1 21 GLY 1.177 0.276 2 0 "[ . 1]"
1 22 VAL 0.933 0.115 10 0 "[ . 1]"
1 24 GLY 0.054 0.020 7 0 "[ . 1]"
1 25 ASP 1.566 0.362 10 0 "[ . 1]"
1 26 PHE 2.037 0.277 2 0 "[ . 1]"
1 27 LEU 2.399 0.277 2 0 "[ . 1]"
1 28 ILE 1.487 0.388 9 0 "[ . 1]"
1 29 ARG 2.511 0.293 8 0 "[ . 1]"
1 30 ASP 0.119 0.031 1 0 "[ . 1]"
1 31 SER 0.000 0.000 . 0 "[ . 1]"
1 32 GLU 0.119 0.031 1 0 "[ . 1]"
1 33 SER 0.000 0.000 . 0 "[ . 1]"
1 34 SER 0.031 0.030 5 0 "[ . 1]"
1 35 PRO 0.225 0.143 5 0 "[ . 1]"
1 36 SER 0.045 0.030 5 0 "[ . 1]"
1 37 ASP 0.290 0.143 5 0 "[ . 1]"
1 38 PHE 0.062 0.022 7 0 "[ . 1]"
1 39 SER 0.961 0.388 9 0 "[ . 1]"
1 40 VAL 0.578 0.176 4 0 "[ . 1]"
1 41 SER 0.000 0.000 7 0 "[ . 1]"
1 42 LEU 1.198 0.258 6 0 "[ . 1]"
1 43 LYS 0.741 0.237 2 0 "[ . 1]"
1 44 ALA 0.666 0.204 4 0 "[ . 1]"
1 45 SER 0.069 0.053 7 0 "[ . 1]"
1 46 GLY 1.826 0.329 2 0 "[ . 1]"
1 47 LYS 4.857 0.329 2 0 "[ . 1]"
1 48 ASN 0.822 0.188 2 0 "[ . 1]"
1 49 LYS 1.681 0.310 3 0 "[ . 1]"
1 50 HIS 0.449 0.074 2 0 "[ . 1]"
1 51 PHE 0.412 0.074 2 0 "[ . 1]"
1 52 LYS 0.676 0.150 7 0 "[ . 1]"
1 53 VAL 1.002 0.150 7 0 "[ . 1]"
1 54 GLN 0.151 0.036 7 0 "[ . 1]"
1 55 LEU 0.920 0.284 4 0 "[ . 1]"
1 56 VAL 0.094 0.042 4 0 "[ . 1]"
1 57 ASP 0.403 0.085 2 0 "[ . 1]"
1 58 ASN 0.412 0.085 2 0 "[ . 1]"
1 59 VAL 0.257 0.050 8 0 "[ . 1]"
1 60 TYR 0.224 0.091 2 0 "[ . 1]"
1 61 CYS 0.471 0.284 4 0 "[ . 1]"
1 62 ILE 1.677 0.182 6 0 "[ . 1]"
1 63 GLY 0.000 0.000 . 0 "[ . 1]"
1 66 ARG 2.678 0.182 6 0 "[ . 1]"
1 67 PHE 1.303 0.107 4 0 "[ . 1]"
1 68 HIS 1.725 0.188 10 0 "[ . 1]"
1 69 THR 1.283 0.124 10 0 "[ . 1]"
1 70 MET 0.602 0.121 7 0 "[ . 1]"
1 71 ASP 1.352 0.118 6 0 "[ . 1]"
1 72 GLU 0.575 0.092 8 0 "[ . 1]"
1 73 LEU 2.613 0.289 6 0 "[ . 1]"
1 74 VAL 3.546 0.254 1 0 "[ . 1]"
1 75 GLU 4.465 0.289 6 0 "[ . 1]"
1 76 HIS 0.054 0.033 7 0 "[ . 1]"
1 77 TYR 3.354 0.189 7 0 "[ . 1]"
1 78 LYS 1.001 0.298 1 0 "[ . 1]"
1 79 LYS 1.120 0.188 10 0 "[ . 1]"
1 80 ALA 0.000 0.000 . 0 "[ . 1]"
1 81 PRO 2.129 0.299 10 0 "[ . 1]"
1 82 ILE 3.506 0.256 7 0 "[ . 1]"
1 83 PHE 1.822 0.256 7 0 "[ . 1]"
1 84 THR 0.000 0.000 . 0 "[ . 1]"
1 85 SER 0.312 0.120 6 0 "[ . 1]"
1 88 GLY 0.006 0.006 7 0 "[ . 1]"
1 89 GLU 2.460 0.326 7 0 "[ . 1]"
1 90 LYS 1.921 0.326 7 0 "[ . 1]"
1 91 LEU 3.398 0.299 10 0 "[ . 1]"
1 92 TYR 2.548 0.258 6 0 "[ . 1]"
1 93 LEU 0.890 0.245 4 0 "[ . 1]"
1 94 VAL 1.816 0.217 10 0 "[ . 1]"
1 95 ARG 1.762 0.217 10 0 "[ . 1]"
1 96 ALA 0.046 0.043 4 0 "[ . 1]"
1 97 LEU 0.000 0.000 . 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 TYR HB3 1 8 VAL MG2 6.000 . 6.000 3.568 2.217 5.044 . 0 0 "[ . 1]" 1
2 1 7 ASN HA 1 8 VAL MG2 6.000 . 6.000 3.337 3.080 3.458 . 0 0 "[ . 1]" 1
3 1 7 ASN HB3 1 8 VAL MG2 6.000 . 6.000 4.753 4.473 4.889 . 0 0 "[ . 1]" 1
4 1 8 VAL HA 1 8 VAL MG1 . . 3.200 2.123 1.952 2.352 . 0 0 "[ . 1]" 1
5 1 8 VAL MG1 1 9 THR HA 6.000 . 6.000 3.963 3.342 4.927 . 0 0 "[ . 1]" 1
6 1 9 THR HA 1 9 THR MG 3.700 . 3.700 2.511 2.138 3.007 . 0 0 "[ . 1]" 1
7 1 8 VAL MG1 1 12 GLN HA 8.400 . 8.400 4.536 3.588 5.074 . 0 0 "[ . 1]" 1
8 1 8 VAL MG1 1 12 GLN HB2 6.000 . 6.000 2.571 2.175 2.960 . 0 0 "[ . 1]" 1
9 1 8 VAL MG1 1 12 GLN HG3 6.000 . 6.000 3.194 1.893 4.846 . 0 0 "[ . 1]" 1
10 1 8 VAL HB 1 12 GLN HG2 6.000 . 6.000 5.045 1.761 6.084 0.084 4 0 "[ . 1]" 1
11 1 8 VAL MG1 1 12 GLN HG2 6.000 . 6.000 3.530 2.706 4.400 . 0 0 "[ . 1]" 1
12 1 9 THR HA 1 12 GLN HB2 4.200 . 4.200 3.155 2.206 4.294 0.094 8 0 "[ . 1]" 1
13 1 10 ARG HA 1 13 ALA MB 6.000 . 6.000 3.327 2.823 3.925 . 0 0 "[ . 1]" 1
14 1 10 ARG HB2 1 13 ALA MB 6.000 . 6.000 4.824 4.629 4.997 . 0 0 "[ . 1]" 1
15 1 13 ALA MB 1 14 GLU HA 6.000 . 6.000 3.888 3.756 3.994 . 0 0 "[ . 1]" 1
16 1 13 ALA MB 1 14 GLU HG3 6.000 . 6.000 4.732 4.568 4.914 . 0 0 "[ . 1]" 1
17 1 14 GLU HA 1 14 GLU HG3 3.800 . 3.800 3.915 3.773 4.021 0.221 5 0 "[ . 1]" 1
18 1 13 ALA HA 1 16 ALA MB 6.000 . 6.000 2.682 2.606 2.921 . 0 0 "[ . 1]" 1
19 1 13 ALA MB 1 16 ALA MB 6.000 . 6.000 4.009 3.807 4.061 . 0 0 "[ . 1]" 1
20 1 13 ALA MB 1 17 LEU MD1 6.000 . 6.000 3.073 2.354 3.599 . 0 0 "[ . 1]" 1
21 1 13 ALA MB 1 17 LEU MD2 6.000 . 6.000 4.029 3.890 4.131 . 0 0 "[ . 1]" 1
22 1 14 GLU HA 1 17 LEU MD1 6.000 . 6.000 4.740 3.984 5.009 . 0 0 "[ . 1]" 1
23 1 17 LEU HA 1 17 LEU MD2 . . 3.200 2.319 2.027 2.597 . 0 0 "[ . 1]" 1
24 1 14 GLU HB3 1 18 ASN HA 3.800 . 3.800 3.899 3.815 3.968 0.168 3 0 "[ . 1]" 1
25 1 17 LEU HA 1 22 VAL MG2 3.200 . 3.200 2.316 2.128 2.682 . 0 0 "[ . 1]" 1
26 1 22 VAL HA 1 22 VAL MG1 . . 3.200 2.190 2.026 2.326 . 0 0 "[ . 1]" 1
27 1 17 LEU MD2 1 25 ASP HB3 6.000 . 6.000 2.189 1.743 3.028 0.057 7 0 "[ . 1]" 1
28 1 17 LEU MD2 1 25 ASP HB2 6.000 . 6.000 2.459 1.789 3.426 0.011 9 0 "[ . 1]" 1
29 1 22 VAL MG2 1 25 ASP HB2 6.000 . 6.000 4.025 2.497 4.966 . 0 0 "[ . 1]" 1
30 1 17 LEU MD2 1 26 PHE HA 6.000 . 6.000 4.192 3.762 4.745 . 0 0 "[ . 1]" 1
31 1 8 VAL MG1 1 27 LEU MD1 6.500 . 6.500 3.025 1.811 4.515 . 0 0 "[ . 1]" 1
32 1 13 ALA MB 1 27 LEU MD1 6.000 . 6.000 1.907 1.672 2.318 0.128 10 0 "[ . 1]" 1
33 1 13 ALA HA 1 27 LEU HG . . 3.800 3.628 3.313 3.967 0.167 3 0 "[ . 1]" 1
34 1 13 ALA MB 1 27 LEU HG 4.300 . 4.300 3.069 2.653 3.551 . 0 0 "[ . 1]" 1
35 1 16 ALA MB 1 27 LEU HG 6.000 . 6.000 4.646 4.094 5.007 . 0 0 "[ . 1]" 1
36 1 17 LEU MD2 1 27 LEU MD1 6.000 . 6.000 3.622 3.136 4.073 . 0 0 "[ . 1]" 1
37 1 17 LEU MD1 1 27 LEU HG 6.000 . 6.000 3.767 3.249 4.595 . 0 0 "[ . 1]" 1
38 1 17 LEU MD2 1 27 LEU HG 6.000 . 6.000 4.184 3.237 4.640 . 0 0 "[ . 1]" 1
39 1 8 VAL MG2 1 29 ARG HA 6.000 . 6.000 3.670 3.005 4.316 . 0 0 "[ . 1]" 1
40 1 8 VAL HB 1 29 ARG HB3 4.400 . 4.400 3.788 2.153 4.482 0.082 9 0 "[ . 1]" 1
41 1 8 VAL MG2 1 29 ARG HB3 6.000 . 6.000 3.259 1.951 4.441 . 0 0 "[ . 1]" 1
42 1 9 THR HA 1 29 ARG HD3 6.000 . 6.000 3.678 3.456 3.980 . 0 0 "[ . 1]" 1
43 1 13 ALA MB 1 29 ARG HD3 6.000 . 6.000 3.993 3.627 4.492 . 0 0 "[ . 1]" 1
44 1 13 ALA MB 1 29 ARG HD2 6.000 . 6.000 4.844 4.772 4.951 . 0 0 "[ . 1]" 1
45 1 27 LEU MD1 1 29 ARG HD3 6.000 . 6.000 4.316 3.218 4.840 . 0 0 "[ . 1]" 1
46 1 27 LEU MD1 1 29 ARG HD2 6.000 . 6.000 4.649 3.777 5.006 . 0 0 "[ . 1]" 1
47 1 28 ILE MD 1 29 ARG HG3 7.300 . 7.300 6.060 5.637 6.196 . 0 0 "[ . 1]" 1
48 1 34 SER HA 1 35 PRO HD2 3.200 . 3.200 2.436 1.977 2.837 . 0 0 "[ . 1]" 1
49 1 34 SER HA 1 35 PRO HG2 6.000 . 6.000 4.536 4.176 4.840 . 0 0 "[ . 1]" 1
50 1 31 SER HB3 1 37 ASP HB3 6.000 . 6.000 2.276 1.902 2.958 . 0 0 "[ . 1]" 1
51 1 31 SER HB2 1 37 ASP HB3 6.000 . 6.000 2.501 2.009 3.385 . 0 0 "[ . 1]" 1
52 1 31 SER HB3 1 37 ASP HB2 6.000 . 6.000 3.243 2.144 4.158 . 0 0 "[ . 1]" 1
53 1 31 SER HB2 1 37 ASP HB2 6.000 . 6.000 3.884 2.554 5.067 . 0 0 "[ . 1]" 1
54 1 34 SER HB3 1 37 ASP HB3 6.000 . 6.000 3.917 2.761 5.018 . 0 0 "[ . 1]" 1
55 1 34 SER HB2 1 37 ASP HB3 6.000 . 6.000 3.290 1.989 4.807 . 0 0 "[ . 1]" 1
56 1 34 SER HB2 1 37 ASP HB2 6.000 . 6.000 2.319 1.979 3.262 . 0 0 "[ . 1]" 1
57 1 30 ASP HA 1 38 PHE HA . . 3.800 2.705 2.285 3.133 . 0 0 "[ . 1]" 1
58 1 28 ILE HG12 1 39 SER HB3 7.000 . 7.000 6.747 5.875 7.388 0.388 9 0 "[ . 1]" 1
59 1 29 ARG HG3 1 39 SER HB3 6.000 . 6.000 3.459 2.328 4.527 . 0 0 "[ . 1]" 1
60 1 29 ARG HG2 1 39 SER HB3 6.000 . 6.000 4.267 3.308 5.116 . 0 0 "[ . 1]" 1
61 1 29 ARG HG3 1 39 SER HB2 6.000 . 6.000 3.444 2.590 4.323 . 0 0 "[ . 1]" 1
62 1 29 ARG HG2 1 39 SER HB2 6.000 . 6.000 4.559 2.308 6.011 0.011 3 0 "[ . 1]" 1
63 1 27 LEU HG 1 40 VAL MG2 6.500 . 6.500 4.039 3.645 5.603 . 0 0 "[ . 1]" 1
64 1 28 ILE HA 1 40 VAL MG1 6.000 . 6.000 3.556 2.874 3.883 . 0 0 "[ . 1]" 1
65 1 28 ILE MD 1 40 VAL MG1 6.000 . 6.000 2.413 1.624 3.995 0.176 4 0 "[ . 1]" 1
66 1 28 ILE HG13 1 40 VAL MG1 6.000 . 6.000 3.367 1.846 4.239 . 0 0 "[ . 1]" 1
67 1 28 ILE HG12 1 40 VAL MG1 6.000 . 6.000 3.593 2.024 4.642 . 0 0 "[ . 1]" 1
68 1 28 ILE MG 1 40 VAL MG1 6.000 . 6.000 3.063 1.917 4.119 . 0 0 "[ . 1]" 1
69 1 28 ILE HA 1 40 VAL MG2 6.000 . 6.000 3.012 2.414 4.810 . 0 0 "[ . 1]" 1
70 1 28 ILE MD 1 40 VAL MG2 6.000 . 6.000 3.108 2.326 3.811 . 0 0 "[ . 1]" 1
71 1 28 ILE HG13 1 40 VAL MG2 6.000 . 6.000 3.305 1.656 4.558 0.144 9 0 "[ . 1]" 1
72 1 13 ALA MB 1 41 SER HB2 6.000 . 6.000 2.840 1.953 3.458 . 0 0 "[ . 1]" 1
73 1 17 LEU MD1 1 41 SER HB2 6.000 . 6.000 3.393 1.936 4.493 . 0 0 "[ . 1]" 1
74 1 27 LEU MD2 1 41 SER HB2 6.000 . 6.000 4.281 3.189 4.901 . 0 0 "[ . 1]" 1
75 1 40 VAL MG2 1 41 SER HB2 6.000 . 6.000 4.443 4.078 4.881 . 0 0 "[ . 1]" 1
76 1 17 LEU MD2 1 42 LEU HA 6.000 . 6.000 4.424 4.075 4.848 . 0 0 "[ . 1]" 1
77 1 17 LEU MD1 1 42 LEU MD1 6.000 . 6.000 3.975 3.784 4.102 . 0 0 "[ . 1]" 1
78 1 24 GLY HA2 1 42 LEU MD1 5.000 . 5.000 3.320 2.774 4.405 . 0 0 "[ . 1]" 1
79 1 25 ASP HB2 1 42 LEU MD1 6.000 . 6.000 4.516 4.211 5.033 . 0 0 "[ . 1]" 1
80 1 26 PHE HA 1 42 LEU HA 3.800 . 3.800 2.619 2.383 2.884 . 0 0 "[ . 1]" 1
81 1 26 PHE HB2 1 42 LEU HA 6.000 . 6.000 4.233 3.899 5.329 . 0 0 "[ . 1]" 1
82 1 26 PHE HA 1 42 LEU MD1 6.000 . 6.000 2.074 1.948 2.208 . 0 0 "[ . 1]" 1
83 1 26 PHE HB3 1 42 LEU MD1 6.000 . 6.000 2.912 1.768 3.070 0.032 4 0 "[ . 1]" 1
84 1 42 LEU HA 1 42 LEU MD1 . . 3.800 1.910 1.725 2.063 0.075 4 0 "[ . 1]" 1
85 1 43 LYS HB2 1 43 LYS HE2 3.800 . 3.800 3.407 2.379 4.001 0.201 1 0 "[ . 1]" 1
86 1 43 LYS HE2 1 43 LYS HG2 3.200 . 3.200 2.729 2.054 3.437 0.237 2 0 "[ . 1]" 1
87 1 44 ALA HA 1 45 SER HA 6.000 . 6.000 4.321 4.307 4.329 . 0 0 "[ . 1]" 1
88 1 44 ALA MB 1 45 SER HB3 6.000 . 6.000 4.363 3.606 4.869 . 0 0 "[ . 1]" 1
89 1 47 LYS HA 1 47 LYS HD2 3.500 . 3.500 2.898 1.822 3.645 0.145 4 0 "[ . 1]" 1
90 1 47 LYS HA 1 47 LYS HG3 3.800 . 3.800 3.437 2.853 3.601 . 0 0 "[ . 1]" 1
91 1 17 LEU MD1 1 48 ASN HB2 6.000 . 6.000 4.765 4.267 4.974 . 0 0 "[ . 1]" 1
92 1 43 LYS HA 1 48 ASN HA 6.000 . 6.000 2.490 1.890 3.237 . 0 0 "[ . 1]" 1
93 1 44 ALA MB 1 49 LYS HD3 6.000 . 6.000 3.773 2.591 4.750 . 0 0 "[ . 1]" 1
94 1 44 ALA MB 1 49 LYS HE3 6.000 . 6.000 3.935 2.284 4.945 . 0 0 "[ . 1]" 1
95 1 49 LYS HA 1 49 LYS HD3 4.100 . 4.100 4.206 4.017 4.410 0.310 3 0 "[ . 1]" 1
96 1 39 SER HA 1 52 LYS HA 3.800 . 3.800 2.642 2.236 2.917 . 0 0 "[ . 1]" 1
97 1 52 LYS HE2 1 52 LYS HG3 3.800 . 3.800 2.573 1.995 3.455 . 0 0 "[ . 1]" 1
98 1 38 PHE HB3 1 53 VAL MG2 6.000 . 6.000 3.680 3.143 4.400 . 0 0 "[ . 1]" 1
99 1 38 PHE HB2 1 53 VAL MG2 6.000 . 6.000 3.414 3.174 3.766 . 0 0 "[ . 1]" 1
100 1 37 ASP HA 1 54 GLN HA 6.000 . 6.000 2.674 2.421 2.971 . 0 0 "[ . 1]" 1
101 1 52 LYS HG2 1 54 GLN HB2 3.800 . 3.800 3.797 3.622 3.836 0.036 7 0 "[ . 1]" 1
102 1 54 GLN HA 1 54 GLN HG3 3.800 . 3.800 2.857 2.236 3.596 . 0 0 "[ . 1]" 1
103 1 36 SER HB3 1 55 LEU MD1 6.000 . 6.000 2.921 1.862 4.551 . 0 0 "[ . 1]" 1
104 1 36 SER HB2 1 55 LEU MD1 6.000 . 6.000 2.822 1.917 4.039 . 0 0 "[ . 1]" 1
105 1 54 GLN HA 1 55 LEU MD1 6.000 . 6.000 4.851 4.770 4.973 . 0 0 "[ . 1]" 1
106 1 55 LEU HA 1 55 LEU MD2 3.800 . 3.800 2.596 2.349 2.859 . 0 0 "[ . 1]" 1
107 1 55 LEU HA 1 56 VAL MG1 6.000 . 6.000 4.759 4.436 4.909 . 0 0 "[ . 1]" 1
108 1 56 VAL HA 1 56 VAL MG1 3.500 . 3.500 3.003 2.959 3.085 . 0 0 "[ . 1]" 1
109 1 56 VAL MG1 1 57 ASP HA 6.000 . 6.000 4.088 4.028 4.282 . 0 0 "[ . 1]" 1
110 1 56 VAL MG1 1 57 ASP HB3 6.000 . 6.000 2.982 2.515 3.645 . 0 0 "[ . 1]" 1
111 1 56 VAL MG1 1 57 ASP HB2 6.000 . 6.000 3.274 2.129 4.091 . 0 0 "[ . 1]" 1
112 1 55 LEU MD2 1 58 ASN HB3 6.000 . 6.000 4.625 4.356 5.031 . 0 0 "[ . 1]" 1
113 1 55 LEU MD2 1 59 VAL MG1 6.000 . 6.000 3.940 3.625 4.156 . 0 0 "[ . 1]" 1
114 1 56 VAL MG1 1 59 VAL HA 6.000 . 6.000 4.847 4.808 4.915 . 0 0 "[ . 1]" 1
115 1 58 ASN HB3 1 59 VAL MG2 6.000 . 6.000 4.332 3.351 4.864 . 0 0 "[ . 1]" 1
116 1 55 LEU HA 1 60 TYR HA 3.800 . 3.800 2.136 1.785 2.557 0.015 6 0 "[ . 1]" 1
117 1 56 VAL HB 1 61 CYS HB2 6.000 . 6.000 3.751 2.824 4.432 . 0 0 "[ . 1]" 1
118 1 56 VAL MG1 1 61 CYS HB2 6.000 . 6.000 4.231 3.432 4.655 . 0 0 "[ . 1]" 1
119 1 53 VAL MG2 1 62 ILE HA 6.000 . 6.000 2.488 2.185 2.730 . 0 0 "[ . 1]" 1
120 1 53 VAL MG2 1 62 ILE HB 6.000 . 6.000 4.021 3.696 4.525 . 0 0 "[ . 1]" 1
121 1 53 VAL MG2 1 62 ILE MD 6.000 . 6.000 2.202 1.715 2.925 0.085 6 0 "[ . 1]" 1
122 1 53 VAL MG2 1 62 ILE HG13 6.000 . 6.000 3.824 3.272 4.732 . 0 0 "[ . 1]" 1
123 1 53 VAL MG1 1 62 ILE MG 6.000 . 6.000 3.199 2.718 3.604 . 0 0 "[ . 1]" 1
124 1 53 VAL MG2 1 62 ILE MG 6.000 . 6.000 1.888 1.677 2.417 0.123 4 0 "[ . 1]" 1
125 1 62 ILE HA 1 62 ILE HG12 3.800 . 3.800 3.041 2.383 3.483 . 0 0 "[ . 1]" 1
126 1 62 ILE MD 1 62 ILE MG 3.800 . 3.800 1.943 1.705 2.285 0.095 6 0 "[ . 1]" 1
127 1 56 VAL MG1 1 66 ARG HA 6.000 . 6.000 4.856 4.659 4.946 . 0 0 "[ . 1]" 1
128 1 56 VAL MG1 1 66 ARG HD2 6.000 . 6.000 2.711 2.410 3.152 . 0 0 "[ . 1]" 1
129 1 61 CYS HA 1 66 ARG HG3 6.000 . 6.000 4.804 2.857 5.475 . 0 0 "[ . 1]" 1
130 1 28 ILE MG 1 71 ASP HB2 6.000 . 6.000 4.747 4.350 4.898 . 0 0 "[ . 1]" 1
131 1 53 VAL MG1 1 73 LEU MD1 6.000 . 6.000 3.730 3.591 3.828 . 0 0 "[ . 1]" 1
132 1 53 VAL MG2 1 73 LEU MD1 6.000 . 6.000 3.587 3.237 3.850 . 0 0 "[ . 1]" 1
133 1 53 VAL MG1 1 73 LEU MD2 6.000 . 6.000 3.794 3.614 3.924 . 0 0 "[ . 1]" 1
134 1 62 ILE MG 1 73 LEU MD2 6.000 . 6.000 2.608 1.761 3.678 0.039 10 0 "[ . 1]" 1
135 1 28 ILE MD 1 74 VAL HA 6.000 . 6.000 4.411 3.418 4.971 . 0 0 "[ . 1]" 1
136 1 28 ILE MD 1 74 VAL MG1 6.000 . 6.000 2.621 1.725 3.468 0.075 1 0 "[ . 1]" 1
137 1 28 ILE MG 1 74 VAL MG1 6.000 . 6.000 2.811 1.780 3.992 0.020 6 0 "[ . 1]" 1
138 1 40 VAL MG1 1 74 VAL MG1 6.000 . 6.000 3.757 2.663 3.956 . 0 0 "[ . 1]" 1
139 1 40 VAL MG1 1 74 VAL MG2 6.000 . 6.000 3.863 3.370 4.029 . 0 0 "[ . 1]" 1
140 1 71 ASP HA 1 74 VAL HB 6.000 . 6.000 4.777 4.200 5.246 . 0 0 "[ . 1]" 1
141 1 71 ASP HA 1 74 VAL MG1 6.000 . 6.000 4.898 4.616 5.029 . 0 0 "[ . 1]" 1
142 1 71 ASP HB3 1 74 VAL MG2 6.000 . 6.000 4.363 3.230 4.822 . 0 0 "[ . 1]" 1
143 1 73 LEU MD1 1 74 VAL HA 6.000 . 6.000 2.799 2.726 2.851 . 0 0 "[ . 1]" 1
144 1 73 LEU MD1 1 74 VAL MG1 6.400 . 6.400 3.225 3.028 3.370 . 0 0 "[ . 1]" 1
145 1 73 LEU MD1 1 78 LYS HG2 6.000 . 6.000 4.962 4.884 5.010 . 0 0 "[ . 1]" 1
146 1 78 LYS HA 1 78 LYS HG2 3.800 . 3.800 2.975 2.679 3.924 0.124 1 0 "[ . 1]" 1
147 1 67 PHE HA 1 79 LYS HD2 6.000 . 6.000 5.371 3.481 6.088 0.088 5 0 "[ . 1]" 1
148 1 79 LYS HA 1 79 LYS HD2 3.800 . 3.800 3.421 1.923 3.838 0.038 9 0 "[ . 1]" 1
149 1 79 LYS HA 1 79 LYS HG3 3.600 . 3.600 3.013 2.172 3.755 0.155 5 0 "[ . 1]" 1
150 1 77 TYR HA 1 80 ALA MB 6.000 . 6.000 2.693 2.438 2.970 . 0 0 "[ . 1]" 1
151 1 80 ALA HA 1 81 PRO HD2 3.200 . 3.200 2.375 2.235 2.544 . 0 0 "[ . 1]" 1
152 1 80 ALA MB 1 81 PRO HD2 3.800 . 3.800 2.144 2.007 2.214 . 0 0 "[ . 1]" 1
153 1 73 LEU MD2 1 82 ILE MD 6.000 . 6.000 3.847 3.585 4.050 . 0 0 "[ . 1]" 1
154 1 74 VAL MG1 1 82 ILE MD 6.000 . 6.000 4.089 4.024 4.153 . 0 0 "[ . 1]" 1
155 1 77 TYR HB3 1 82 ILE MD 6.000 . 6.000 2.072 1.653 3.256 0.147 9 0 "[ . 1]" 1
156 1 77 TYR HB2 1 82 ILE MD 6.000 . 6.000 2.593 1.797 3.762 0.003 7 0 "[ . 1]" 1
157 1 82 ILE HA 1 82 ILE HG13 3.800 . 3.800 2.918 2.149 3.815 0.015 4 0 "[ . 1]" 1
158 1 82 ILE HA 1 82 ILE HG12 3.800 . 3.800 2.961 2.524 3.524 . 0 0 "[ . 1]" 1
159 1 82 ILE MD 1 82 ILE MG 3.800 . 3.800 2.361 1.565 2.620 0.235 10 0 "[ . 1]" 1
160 1 82 ILE MG 1 83 PHE HB2 6.000 . 6.000 4.608 4.249 4.876 . 0 0 "[ . 1]" 1
161 1 84 THR MG 1 88 GLY HA3 6.000 . 6.000 4.853 4.050 5.040 . 0 0 "[ . 1]" 1
162 1 84 THR MG 1 88 GLY HA2 6.700 . 6.700 4.358 2.689 5.692 . 0 0 "[ . 1]" 1
163 1 85 SER HB3 1 89 GLU HG3 6.000 . 6.000 4.025 2.292 6.120 0.120 6 0 "[ . 1]" 1
164 1 84 THR HA 1 90 LYS HA 3.800 . 3.800 2.178 1.815 2.589 . 0 0 "[ . 1]" 1
165 1 84 THR MG 1 90 LYS HA 6.000 . 6.000 3.038 2.001 3.815 . 0 0 "[ . 1]" 1
166 1 84 THR MG 1 90 LYS HE2 4.300 . 4.300 2.994 1.892 3.533 . 0 0 "[ . 1]" 1
167 1 89 GLU HA 1 90 LYS HD2 6.000 . 6.000 4.097 3.212 4.609 . 0 0 "[ . 1]" 1
168 1 90 LYS HA 1 90 LYS HE2 6.000 . 6.000 4.922 3.941 5.804 . 0 0 "[ . 1]" 1
169 1 90 LYS HE2 1 90 LYS HG2 3.200 . 3.200 2.703 2.090 3.374 0.174 9 0 "[ . 1]" 1
170 1 42 LEU HG 1 91 LEU MD2 4.600 . 4.600 3.435 3.074 3.840 . 0 0 "[ . 1]" 1
171 1 49 LYS HD3 1 91 LEU MD1 3.200 . 3.200 2.392 2.252 2.639 . 0 0 "[ . 1]" 1
172 1 49 LYS HE2 1 91 LEU MD1 6.000 . 6.000 3.395 1.834 4.669 . 0 0 "[ . 1]" 1
173 1 81 PRO HB2 1 91 LEU HB3 6.000 . 6.000 5.660 5.034 6.139 0.139 4 0 "[ . 1]" 1
174 1 81 PRO HG2 1 91 LEU HB2 6.000 . 6.000 6.156 6.017 6.299 0.299 10 0 "[ . 1]" 1
175 1 82 ILE MG 1 91 LEU HB3 6.000 . 6.000 3.717 3.050 4.358 . 0 0 "[ . 1]" 1
176 1 82 ILE MG 1 91 LEU HB2 6.000 . 6.000 3.628 2.802 4.797 . 0 0 "[ . 1]" 1
177 1 82 ILE MG 1 91 LEU MD1 6.000 . 6.000 3.986 3.828 4.164 . 0 0 "[ . 1]" 1
178 1 82 ILE MG 1 91 LEU MD2 7.000 . 7.000 4.640 3.811 4.873 . 0 0 "[ . 1]" 1
179 1 83 PHE HB3 1 91 LEU MD1 6.000 . 6.000 3.432 1.715 4.952 0.085 1 0 "[ . 1]" 1
180 1 83 PHE HB2 1 91 LEU MD1 6.000 . 6.000 3.297 1.787 4.840 0.013 7 0 "[ . 1]" 1
181 1 91 LEU HA 1 91 LEU MD2 . . 3.200 2.165 1.690 2.594 0.110 5 0 "[ . 1]" 1
182 1 82 ILE HG13 1 92 TYR HA 6.000 . 6.000 3.314 2.478 4.278 . 0 0 "[ . 1]" 1
183 1 82 ILE MG 1 92 TYR HA 6.000 . 6.000 1.902 1.670 2.345 0.130 4 0 "[ . 1]" 1
184 1 82 ILE HG13 1 92 TYR HB2 6.000 . 6.000 5.691 4.494 6.181 0.181 7 0 "[ . 1]" 1
185 1 26 PHE HA 1 93 LEU MD2 6.000 . 6.000 4.414 3.969 4.725 . 0 0 "[ . 1]" 1
186 1 26 PHE HB3 1 93 LEU MD2 6.000 . 6.000 2.886 2.201 3.450 . 0 0 "[ . 1]" 1
187 1 28 ILE MD 1 93 LEU MD1 6.500 . 6.500 3.429 2.220 4.178 . 0 0 "[ . 1]" 1
188 1 28 ILE MG 1 93 LEU MD1 6.400 . 6.400 4.282 4.128 4.466 . 0 0 "[ . 1]" 1
189 1 28 ILE MD 1 93 LEU MD2 6.000 . 6.000 3.026 1.798 3.974 0.002 1 0 "[ . 1]" 1
190 1 28 ILE MG 1 93 LEU MD2 6.000 . 6.000 3.889 3.758 3.979 . 0 0 "[ . 1]" 1
191 1 40 VAL MG1 1 93 LEU MD1 6.000 . 6.000 3.552 2.919 3.930 . 0 0 "[ . 1]" 1
192 1 40 VAL MG2 1 93 LEU MD1 6.500 . 6.500 3.847 3.372 4.141 . 0 0 "[ . 1]" 1
193 1 40 VAL MG1 1 93 LEU MD2 6.000 . 6.000 2.333 1.984 2.591 . 0 0 "[ . 1]" 1
194 1 40 VAL MG2 1 93 LEU MD2 3.800 . 3.800 1.961 1.677 2.296 0.123 1 0 "[ . 1]" 1
195 1 42 LEU HB2 1 93 LEU MD2 6.000 . 6.000 3.876 3.697 4.384 . 0 0 "[ . 1]" 1
196 1 42 LEU MD1 1 93 LEU MD2 5.700 . 5.700 3.843 3.757 3.922 . 0 0 "[ . 1]" 1
197 1 42 LEU MD2 1 93 LEU MD2 6.000 . 6.000 3.742 2.489 3.952 . 0 0 "[ . 1]" 1
198 1 62 ILE MG 1 93 LEU MD2 6.000 . 6.000 4.169 4.070 4.245 . 0 0 "[ . 1]" 1
199 1 73 LEU MD1 1 93 LEU HB2 6.000 . 6.000 4.600 4.022 4.811 . 0 0 "[ . 1]" 1
200 1 73 LEU MD1 1 93 LEU MD1 6.000 . 6.000 2.540 2.189 2.920 . 0 0 "[ . 1]" 1
201 1 73 LEU MD2 1 93 LEU MD1 6.000 . 6.000 2.461 2.031 2.781 . 0 0 "[ . 1]" 1
202 1 73 LEU MD2 1 93 LEU MD2 6.000 . 6.000 3.913 3.781 4.056 . 0 0 "[ . 1]" 1
203 1 74 VAL HA 1 93 LEU MD1 6.000 . 6.000 2.188 1.738 3.068 0.062 8 0 "[ . 1]" 1
204 1 74 VAL HB 1 93 LEU MD1 6.000 . 6.000 4.219 3.847 4.907 . 0 0 "[ . 1]" 1
205 1 74 VAL MG1 1 93 LEU MD1 6.000 . 6.000 2.201 1.831 2.711 . 0 0 "[ . 1]" 1
206 1 74 VAL MG2 1 93 LEU MD1 6.000 . 6.000 2.713 2.368 3.346 . 0 0 "[ . 1]" 1
207 1 77 TYR HA 1 93 LEU MD1 6.000 . 6.000 2.755 2.349 3.214 . 0 0 "[ . 1]" 1
208 1 77 TYR HB3 1 93 LEU MD1 6.000 . 6.000 2.983 2.718 3.618 . 0 0 "[ . 1]" 1
209 1 77 TYR HB2 1 93 LEU MD1 6.000 . 6.000 3.971 3.449 4.655 . 0 0 "[ . 1]" 1
210 1 77 TYR HB3 1 93 LEU MD2 6.000 . 6.000 5.147 5.091 5.212 . 0 0 "[ . 1]" 1
211 1 82 ILE HA 1 93 LEU MD1 6.400 . 6.400 5.237 4.709 5.485 . 0 0 "[ . 1]" 1
212 1 82 ILE HB 1 93 LEU MD1 6.000 . 6.000 4.705 4.237 5.137 . 0 0 "[ . 1]" 1
213 1 82 ILE MD 1 93 LEU MD2 6.000 . 6.000 3.060 2.698 3.529 . 0 0 "[ . 1]" 1
214 1 82 ILE MD 1 93 LEU HG 6.000 . 6.000 1.850 1.555 2.111 0.245 4 0 "[ . 1]" 1
215 1 82 ILE MG 1 93 LEU HG 6.000 . 6.000 4.445 4.013 4.910 . 0 0 "[ . 1]" 1
216 1 92 TYR HA 1 93 LEU HG 6.000 . 6.000 3.780 3.140 4.635 . 0 0 "[ . 1]" 1
217 1 93 LEU HA 1 93 LEU MD2 3.800 . 3.800 2.439 1.985 2.973 . 0 0 "[ . 1]" 1
218 1 24 GLY HA3 1 94 VAL HB 6.000 . 6.000 5.913 5.434 6.020 0.020 7 0 "[ . 1]" 1
219 1 24 GLY HA3 1 94 VAL MG1 6.000 . 6.000 3.867 3.516 4.136 . 0 0 "[ . 1]" 1
220 1 24 GLY HA2 1 94 VAL MG1 6.000 . 6.000 4.587 4.202 4.895 . 0 0 "[ . 1]" 1
221 1 94 VAL HA 1 94 VAL MG1 . . 3.700 2.998 2.162 3.207 . 0 0 "[ . 1]" 1
222 1 94 VAL HA 1 94 VAL MG2 . . 3.700 2.591 2.350 3.171 . 0 0 "[ . 1]" 1
223 1 42 LEU MD1 1 95 ARG HA 7.200 . 7.200 6.050 5.959 6.093 . 0 0 "[ . 1]" 1
224 1 94 VAL MG2 1 95 ARG HA 6.000 . 6.000 3.875 3.514 4.087 . 0 0 "[ . 1]" 1
225 1 94 VAL MG2 1 95 ARG HB2 6.000 . 6.000 2.961 2.491 4.388 . 0 0 "[ . 1]" 1
226 1 3 TRP HA 1 96 ALA MB 6.000 . 6.000 2.953 2.136 4.431 . 0 0 "[ . 1]" 1
227 1 3 TRP HB3 1 96 ALA MB 6.000 . 6.000 2.837 1.940 4.520 . 0 0 "[ . 1]" 1
228 1 3 TRP HB2 1 96 ALA MB 6.000 . 6.000 3.454 2.260 4.845 . 0 0 "[ . 1]" 1
229 1 27 LEU HG 1 96 ALA HA 6.000 . 6.000 5.286 4.322 6.043 0.043 4 0 "[ . 1]" 1
230 1 95 ARG HB3 1 96 ALA MB 4.200 . 4.200 3.582 3.530 3.637 . 0 0 "[ . 1]" 1
231 1 95 ARG HG3 1 96 ALA MB 6.000 . 6.000 4.886 4.850 4.945 . 0 0 "[ . 1]" 1
232 1 2 GLU H 1 3 TRP H 6.000 . 6.000 3.037 2.084 4.021 . 0 0 "[ . 1]" 1
233 1 3 TRP HA 1 4 TYR H 6.000 . 6.000 3.113 2.163 3.586 . 0 0 "[ . 1]" 1
234 1 3 TRP HB2 1 4 TYR H 6.000 . 6.000 2.919 1.834 4.042 . 0 0 "[ . 1]" 1
235 1 3 TRP H 1 4 TYR H 3.800 . 3.800 2.957 2.156 3.858 0.058 3 0 "[ . 1]" 1
236 1 4 TYR H 1 4 TYR HB3 3.800 . 3.800 2.944 2.374 3.431 . 0 0 "[ . 1]" 1
237 1 4 TYR H 1 4 TYR HB2 3.800 . 3.800 3.160 2.100 3.824 0.024 8 0 "[ . 1]" 1
238 1 4 TYR HA 1 5 TYR H 3.800 . 3.800 2.238 2.132 2.482 . 0 0 "[ . 1]" 1
239 1 5 TYR HB3 1 7 ASN H 3.200 . 3.200 2.951 2.426 3.321 0.121 8 0 "[ . 1]" 1
240 1 6 GLY HA2 1 7 ASN H 3.200 . 3.200 3.325 3.190 3.403 0.203 1 0 "[ . 1]" 1
241 1 4 TYR H 1 8 VAL MG2 6.000 . 6.000 4.092 1.869 4.990 . 0 0 "[ . 1]" 1
242 1 7 ASN H 1 8 VAL H 6.000 . 6.000 4.000 3.792 4.300 . 0 0 "[ . 1]" 1
243 1 8 VAL H 1 8 VAL HB 3.800 . 3.800 3.167 2.694 3.618 . 0 0 "[ . 1]" 1
244 1 8 VAL H 1 8 VAL MG2 3.200 . 3.200 2.423 2.142 2.573 . 0 0 "[ . 1]" 1
245 1 8 VAL H 1 9 THR HB 6.700 . 6.700 4.777 3.614 6.063 . 0 0 "[ . 1]" 1
246 1 8 VAL HA 1 9 THR H 3.200 . 3.200 2.873 2.348 3.487 0.287 6 0 "[ . 1]" 1
247 1 8 VAL MG1 1 9 THR H 6.000 . 6.000 2.774 1.903 4.185 . 0 0 "[ . 1]" 1
248 1 8 VAL MG2 1 9 THR H 6.000 . 6.000 3.792 3.121 4.380 . 0 0 "[ . 1]" 1
249 1 8 VAL H 1 9 THR H 6.000 . 6.000 3.513 1.787 4.401 0.013 8 0 "[ . 1]" 1
250 1 9 THR H 1 9 THR MG 4.500 . 4.500 3.607 3.114 3.835 . 0 0 "[ . 1]" 1
251 1 9 THR HB 1 10 ARG H 3.800 . 3.800 3.123 1.926 3.869 0.069 1 0 "[ . 1]" 1
252 1 9 THR MG 1 10 ARG H 6.000 . 6.000 2.108 1.518 3.504 0.282 4 0 "[ . 1]" 1
253 1 9 THR H 1 10 ARG H 6.000 . 6.000 4.466 4.079 4.666 . 0 0 "[ . 1]" 1
254 1 10 ARG H 1 10 ARG HB3 3.200 . 3.200 3.348 3.209 3.458 0.258 10 0 "[ . 1]" 1
255 1 10 ARG H 1 10 ARG HD2 6.000 . 6.000 5.538 4.880 6.007 0.007 10 0 "[ . 1]" 1
256 1 9 THR HA 1 11 HIS H 3.700 . 3.700 3.761 3.482 4.145 0.445 3 0 "[ . 1]" 1
257 1 9 THR MG 1 11 HIS H 6.000 . 6.000 4.478 3.935 5.073 . 0 0 "[ . 1]" 1
258 1 10 ARG HA 1 11 HIS H 6.000 . 6.000 3.538 3.522 3.553 . 0 0 "[ . 1]" 1
259 1 10 ARG HB3 1 11 HIS H 6.000 . 6.000 2.695 2.433 3.266 . 0 0 "[ . 1]" 1
260 1 10 ARG HB2 1 11 HIS H 3.800 . 3.800 3.863 3.831 3.895 0.095 4 0 "[ . 1]" 1
261 1 10 ARG HG3 1 11 HIS H 6.000 . 6.000 3.555 2.836 4.466 . 0 0 "[ . 1]" 1
262 1 10 ARG H 1 11 HIS H 3.800 . 3.800 3.437 3.285 3.525 . 0 0 "[ . 1]" 1
263 1 9 THR HA 1 12 GLN H 6.000 . 6.000 3.396 2.991 4.480 . 0 0 "[ . 1]" 1
264 1 9 THR MG 1 12 GLN H 6.000 . 6.000 4.849 4.456 5.191 . 0 0 "[ . 1]" 1
265 1 9 THR H 1 12 GLN H 6.000 . 6.000 3.799 2.705 4.721 . 0 0 "[ . 1]" 1
266 1 10 ARG H 1 12 GLN H 6.000 . 6.000 4.313 3.850 4.773 . 0 0 "[ . 1]" 1
267 1 11 HIS H 1 12 GLN H 3.800 . 3.800 2.083 1.959 2.305 . 0 0 "[ . 1]" 1
268 1 12 GLN H 1 12 GLN HG3 3.200 . 3.200 3.106 2.647 3.283 0.083 6 0 "[ . 1]" 1
269 1 12 GLN H 1 12 GLN HG2 3.800 . 3.800 3.076 1.952 3.978 0.178 6 0 "[ . 1]" 1
270 1 8 VAL MG1 1 13 ALA H 6.000 . 6.000 4.270 2.580 4.883 . 0 0 "[ . 1]" 1
271 1 10 ARG HA 1 13 ALA H 6.000 . 6.000 4.551 4.118 5.222 . 0 0 "[ . 1]" 1
272 1 12 GLN HG2 1 13 ALA H 6.000 . 6.000 4.544 3.589 5.338 . 0 0 "[ . 1]" 1
273 1 12 GLN H 1 13 ALA H 3.200 . 3.200 2.454 2.371 2.545 . 0 0 "[ . 1]" 1
274 1 9 THR HA 1 14 GLU H 6.000 . 6.000 4.482 3.784 5.000 . 0 0 "[ . 1]" 1
275 1 10 ARG H 1 14 GLU HG3 6.000 . 6.000 5.877 5.480 6.061 0.061 3 0 "[ . 1]" 1
276 1 12 GLN H 1 14 GLU HG3 6.000 . 6.000 5.110 4.628 5.756 . 0 0 "[ . 1]" 1
277 1 13 ALA H 1 14 GLU HG3 6.000 . 6.000 5.005 4.603 5.506 . 0 0 "[ . 1]" 1
278 1 13 ALA H 1 14 GLU H 3.200 . 3.200 2.780 2.706 2.907 . 0 0 "[ . 1]" 1
279 1 14 GLU H 1 14 GLU HB2 3.500 . 3.500 3.243 2.883 3.574 0.074 9 0 "[ . 1]" 1
280 1 14 GLU H 1 14 GLU HG3 3.200 . 3.200 2.873 2.405 3.288 0.088 4 0 "[ . 1]" 1
281 1 14 GLU H 1 14 GLU HG2 3.200 . 3.200 1.792 1.720 1.902 0.080 2 0 "[ . 1]" 1
282 1 13 ALA MB 1 15 CYS H 6.000 . 6.000 4.636 4.326 4.965 . 0 0 "[ . 1]" 1
283 1 13 ALA H 1 15 CYS H 6.000 . 6.000 4.232 3.883 4.625 . 0 0 "[ . 1]" 1
284 1 14 GLU HG3 1 15 CYS H 3.800 . 3.800 3.070 1.966 3.871 0.071 2 0 "[ . 1]" 1
285 1 14 GLU HG2 1 15 CYS H 3.200 . 3.200 3.290 3.006 3.480 0.280 3 0 "[ . 1]" 1
286 1 14 GLU H 1 15 CYS H 3.200 . 3.200 2.368 2.171 2.584 . 0 0 "[ . 1]" 1
287 1 13 ALA H 1 16 ALA MB 6.000 . 6.000 4.488 4.222 4.827 . 0 0 "[ . 1]" 1
288 1 13 ALA HA 1 16 ALA H 3.800 . 3.800 3.636 3.461 3.831 0.031 2 0 "[ . 1]" 1
289 1 14 GLU H 1 16 ALA MB 6.000 . 6.000 4.524 4.261 4.898 . 0 0 "[ . 1]" 1
290 1 15 CYS H 1 16 ALA MB 6.000 . 6.000 4.297 4.197 4.408 . 0 0 "[ . 1]" 1
291 1 16 ALA H 1 16 ALA MB 3.200 . 3.200 2.322 2.195 2.404 . 0 0 "[ . 1]" 1
292 1 14 GLU HA 1 17 LEU H 3.800 . 3.800 3.061 2.734 3.386 . 0 0 "[ . 1]" 1
293 1 15 CYS H 1 17 LEU H 6.000 . 6.000 4.267 4.113 4.429 . 0 0 "[ . 1]" 1
294 1 16 ALA HA 1 17 LEU H 6.000 . 6.000 3.519 3.506 3.535 . 0 0 "[ . 1]" 1
295 1 16 ALA MB 1 17 LEU H 3.800 . 3.800 2.722 2.634 2.768 . 0 0 "[ . 1]" 1
296 1 16 ALA H 1 17 LEU H 3.200 . 3.200 2.071 1.989 2.182 . 0 0 "[ . 1]" 1
297 1 17 LEU H 1 17 LEU HB2 3.800 . 3.800 3.045 2.690 3.366 . 0 0 "[ . 1]" 1
298 1 17 LEU H 1 17 LEU HG 3.200 . 3.200 2.396 2.047 2.683 . 0 0 "[ . 1]" 1
299 1 14 GLU HA 1 18 ASN H 3.800 . 3.800 3.147 2.513 3.725 . 0 0 "[ . 1]" 1
300 1 14 GLU HB2 1 18 ASN H 6.000 . 6.000 4.668 4.040 5.233 . 0 0 "[ . 1]" 1
301 1 15 CYS H 1 18 ASN H 6.000 . 6.000 4.594 4.320 4.826 . 0 0 "[ . 1]" 1
302 1 16 ALA HA 1 18 ASN H 4.100 . 4.100 4.169 3.879 4.350 0.250 10 0 "[ . 1]" 1
303 1 16 ALA MB 1 18 ASN H 6.000 . 6.000 4.254 4.186 4.329 . 0 0 "[ . 1]" 1
304 1 16 ALA H 1 18 ASN H 6.000 . 6.000 3.135 2.886 3.333 . 0 0 "[ . 1]" 1
305 1 17 LEU H 1 18 ASN HB2 6.000 . 6.000 4.777 3.985 5.627 . 0 0 "[ . 1]" 1
306 1 17 LEU MD1 1 18 ASN H 6.000 . 6.000 5.178 5.042 5.328 . 0 0 "[ . 1]" 1
307 1 17 LEU MD2 1 18 ASN H 6.000 . 6.000 4.163 3.982 4.442 . 0 0 "[ . 1]" 1
308 1 17 LEU HG 1 18 ASN H 6.000 . 6.000 4.217 3.913 4.517 . 0 0 "[ . 1]" 1
309 1 17 LEU H 1 18 ASN H 3.200 . 3.200 2.117 1.894 2.319 . 0 0 "[ . 1]" 1
310 1 18 ASN H 1 18 ASN HB3 3.200 . 3.200 3.134 2.489 3.459 0.259 3 0 "[ . 1]" 1
311 1 18 ASN H 1 18 ASN HB2 3.200 . 3.200 2.862 2.105 3.548 0.348 6 0 "[ . 1]" 1
312 1 16 ALA MB 1 19 GLU H 7.100 . 7.100 5.919 5.491 6.097 . 0 0 "[ . 1]" 1
313 1 17 LEU HA 1 19 GLU H 6.000 . 6.000 3.582 3.111 4.283 . 0 0 "[ . 1]" 1
314 1 17 LEU HB2 1 19 GLU H 6.000 . 6.000 3.843 2.269 4.937 . 0 0 "[ . 1]" 1
315 1 18 ASN HA 1 19 GLU H 6.000 . 6.000 3.366 3.011 3.497 . 0 0 "[ . 1]" 1
316 1 18 ASN HB3 1 19 GLU H 3.800 . 3.800 3.429 2.870 3.994 0.194 1 0 "[ . 1]" 1
317 1 18 ASN HB2 1 19 GLU H 4.200 . 4.200 3.894 2.730 4.451 0.251 5 0 "[ . 1]" 1
318 1 18 ASN H 1 19 GLU H 3.200 . 3.200 2.823 2.565 2.970 . 0 0 "[ . 1]" 1
319 1 17 LEU HB2 1 20 ARG H 3.800 . 3.800 3.646 2.656 3.978 0.178 7 0 "[ . 1]" 1
320 1 18 ASN H 1 20 ARG H 6.000 . 6.000 4.656 4.087 5.534 . 0 0 "[ . 1]" 1
321 1 19 GLU H 1 20 ARG H 3.200 . 3.200 2.698 2.319 2.961 . 0 0 "[ . 1]" 1
322 1 17 LEU HG 1 21 GLY H 6.000 . 6.000 6.073 5.549 6.276 0.276 2 0 "[ . 1]" 1
323 1 19 GLU H 1 21 GLY H 6.000 . 6.000 5.109 4.237 5.702 . 0 0 "[ . 1]" 1
324 1 17 LEU H 1 22 VAL MG2 6.000 . 6.000 4.611 4.355 5.070 . 0 0 "[ . 1]" 1
325 1 20 ARG H 1 22 VAL HB 6.000 . 6.000 6.032 5.702 6.115 0.115 10 0 "[ . 1]" 1
326 1 20 ARG H 1 22 VAL MG2 6.000 . 6.000 3.310 3.003 3.499 . 0 0 "[ . 1]" 1
327 1 21 GLY H 1 22 VAL MG2 6.000 . 6.000 3.163 2.678 3.967 . 0 0 "[ . 1]" 1
328 1 21 GLY H 1 22 VAL H 6.000 . 6.000 2.693 2.041 3.306 . 0 0 "[ . 1]" 1
329 1 22 VAL H 1 22 VAL HB 3.800 . 3.800 3.378 2.642 3.869 0.069 10 0 "[ . 1]" 1
330 1 22 VAL H 1 22 VAL MG2 3.200 . 3.200 2.201 1.909 2.569 . 0 0 "[ . 1]" 1
331 1 17 LEU MD2 1 25 ASP H 6.000 . 6.000 3.979 3.589 4.354 . 0 0 "[ . 1]" 1
332 1 22 VAL H 1 25 ASP HB3 6.000 . 6.000 5.643 4.956 6.086 0.086 9 0 "[ . 1]" 1
333 1 22 VAL MG2 1 25 ASP H 6.000 . 6.000 4.563 3.576 5.011 . 0 0 "[ . 1]" 1
334 1 22 VAL H 1 25 ASP H 6.000 . 6.000 4.572 4.037 5.294 . 0 0 "[ . 1]" 1
335 1 24 GLY HA3 1 25 ASP H 6.000 . 6.000 3.532 3.381 3.568 . 0 0 "[ . 1]" 1
336 1 24 GLY HA2 1 25 ASP H 6.000 . 6.000 2.425 2.170 2.629 . 0 0 "[ . 1]" 1
337 1 25 ASP H 1 25 ASP HB3 3.200 . 3.200 3.122 2.658 3.489 0.289 4 0 "[ . 1]" 1
338 1 25 ASP H 1 25 ASP HB2 3.200 . 3.200 2.781 2.209 3.562 0.362 10 0 "[ . 1]" 1
339 1 25 ASP HA 1 26 PHE H 3.200 . 3.200 2.148 2.124 2.180 . 0 0 "[ . 1]" 1
340 1 25 ASP HB2 1 26 PHE H 6.000 . 6.000 4.097 3.346 4.549 . 0 0 "[ . 1]" 1
341 1 25 ASP H 1 26 PHE H 6.000 . 6.000 4.392 4.197 4.507 . 0 0 "[ . 1]" 1
342 1 13 ALA H 1 27 LEU MD1 6.000 . 6.000 2.748 2.259 3.688 . 0 0 "[ . 1]" 1
343 1 26 PHE HA 1 27 LEU H 3.200 . 3.200 2.178 2.131 2.258 . 0 0 "[ . 1]" 1
344 1 26 PHE HB2 1 27 LEU H 4.100 . 4.100 4.284 3.940 4.377 0.277 2 0 "[ . 1]" 1
345 1 26 PHE H 1 27 LEU H 6.000 . 6.000 4.322 4.270 4.410 . 0 0 "[ . 1]" 1
346 1 27 LEU HA 1 28 ILE H 3.200 . 3.200 2.137 2.105 2.192 . 0 0 "[ . 1]" 1
347 1 27 LEU MD1 1 28 ILE H 6.000 . 6.000 4.619 4.005 4.906 . 0 0 "[ . 1]" 1
348 1 8 VAL H 1 29 ARG HA 6.000 . 6.000 3.887 2.488 6.023 0.023 3 0 "[ . 1]" 1
349 1 8 VAL H 1 29 ARG HB2 6.000 . 6.000 3.582 2.224 5.529 . 0 0 "[ . 1]" 1
350 1 8 VAL H 1 29 ARG HD3 6.000 . 6.000 4.724 3.219 6.083 0.083 2 0 "[ . 1]" 1
351 1 8 VAL H 1 29 ARG HD2 6.000 . 6.000 3.424 1.661 5.391 0.139 10 0 "[ . 1]" 1
352 1 10 ARG H 1 29 ARG HD3 6.000 . 6.000 3.571 2.313 5.446 . 0 0 "[ . 1]" 1
353 1 13 ALA H 1 29 ARG HD3 4.700 . 4.700 4.906 4.828 4.993 0.293 8 0 "[ . 1]" 1
354 1 28 ILE HA 1 29 ARG H 3.200 . 3.200 2.217 2.178 2.267 . 0 0 "[ . 1]" 1
355 1 28 ILE MD 1 29 ARG H 6.000 . 6.000 4.320 3.770 4.817 . 0 0 "[ . 1]" 1
356 1 28 ILE HG13 1 29 ARG H 6.000 . 6.000 3.981 2.640 5.424 . 0 0 "[ . 1]" 1
357 1 28 ILE HG12 1 29 ARG H 6.000 . 6.000 3.759 2.639 5.280 . 0 0 "[ . 1]" 1
358 1 28 ILE MG 1 29 ARG H 6.000 . 6.000 3.133 2.243 3.894 . 0 0 "[ . 1]" 1
359 1 29 ARG H 1 29 ARG HD3 6.000 . 6.000 4.434 4.217 4.607 . 0 0 "[ . 1]" 1
360 1 29 ARG H 1 29 ARG HD2 6.000 . 6.000 4.745 4.600 4.915 . 0 0 "[ . 1]" 1
361 1 29 ARG H 1 29 ARG HG3 3.800 . 3.800 2.448 1.927 3.139 . 0 0 "[ . 1]" 1
362 1 8 VAL MG2 1 30 ASP H 6.000 . 6.000 4.688 4.213 4.914 . 0 0 "[ . 1]" 1
363 1 29 ARG HA 1 30 ASP H 3.200 . 3.200 2.310 2.279 2.338 . 0 0 "[ . 1]" 1
364 1 29 ARG HB2 1 30 ASP H 3.800 . 3.800 2.734 2.529 2.972 . 0 0 "[ . 1]" 1
365 1 29 ARG HG3 1 30 ASP H 6.000 . 6.000 4.466 3.862 4.917 . 0 0 "[ . 1]" 1
366 1 29 ARG HG2 1 30 ASP H 6.000 . 6.000 4.982 4.743 5.222 . 0 0 "[ . 1]" 1
367 1 29 ARG H 1 30 ASP H 6.000 . 6.000 4.462 4.411 4.522 . 0 0 "[ . 1]" 1
368 1 30 ASP H 1 30 ASP HB2 3.200 . 3.200 2.631 2.207 2.822 . 0 0 "[ . 1]" 1
369 1 30 ASP HA 1 31 SER H 3.200 . 3.200 2.260 2.146 2.403 . 0 0 "[ . 1]" 1
370 1 30 ASP HB3 1 31 SER H 6.000 . 6.000 3.400 2.677 4.227 . 0 0 "[ . 1]" 1
371 1 30 ASP HB2 1 31 SER H 6.000 . 6.000 3.988 3.580 4.311 . 0 0 "[ . 1]" 1
372 1 30 ASP H 1 31 SER H 6.000 . 6.000 4.538 4.407 4.634 . 0 0 "[ . 1]" 1
373 1 31 SER H 1 31 SER HB3 3.800 . 3.800 3.052 2.360 3.695 . 0 0 "[ . 1]" 1
374 1 31 SER H 1 31 SER HB2 3.200 . 3.200 2.541 2.222 2.943 . 0 0 "[ . 1]" 1
375 1 30 ASP HB2 1 32 GLU H 6.000 . 6.000 5.931 5.504 6.031 0.031 1 0 "[ . 1]" 1
376 1 31 SER HA 1 32 GLU H 3.200 . 3.200 2.203 2.141 2.267 . 0 0 "[ . 1]" 1
377 1 31 SER HB3 1 32 GLU H 6.000 . 6.000 3.886 3.140 4.532 . 0 0 "[ . 1]" 1
378 1 31 SER HB2 1 32 GLU H 6.000 . 6.000 4.434 4.166 4.662 . 0 0 "[ . 1]" 1
379 1 31 SER H 1 32 GLU H 6.000 . 6.000 4.270 3.870 4.561 . 0 0 "[ . 1]" 1
380 1 32 GLU H 1 33 SER H 3.800 . 3.800 2.639 2.271 2.898 . 0 0 "[ . 1]" 1
381 1 33 SER H 1 33 SER HB3 3.200 . 3.200 2.644 2.277 3.197 . 0 0 "[ . 1]" 1
382 1 31 SER H 1 34 SER H 6.000 . 6.000 4.810 3.444 5.602 . 0 0 "[ . 1]" 1
383 1 32 GLU H 1 34 SER H 6.000 . 6.000 4.402 4.101 4.739 . 0 0 "[ . 1]" 1
384 1 33 SER H 1 34 SER HA 6.000 . 6.000 5.331 5.278 5.388 . 0 0 "[ . 1]" 1
385 1 33 SER HA 1 34 SER H 6.000 . 6.000 3.459 2.908 3.563 . 0 0 "[ . 1]" 1
386 1 33 SER H 1 34 SER H 3.200 . 3.200 2.777 2.674 2.858 . 0 0 "[ . 1]" 1
387 1 34 SER H 1 34 SER HB2 3.200 . 3.200 2.577 2.257 2.844 . 0 0 "[ . 1]" 1
388 1 34 SER H 1 35 PRO HA 6.000 . 6.000 5.093 4.785 5.604 . 0 0 "[ . 1]" 1
389 1 34 SER HA 1 36 SER H 6.000 . 6.000 4.099 3.644 5.311 . 0 0 "[ . 1]" 1
390 1 34 SER HB3 1 36 SER H 3.800 . 3.800 2.662 2.150 3.830 0.030 5 0 "[ . 1]" 1
391 1 35 PRO HB2 1 36 SER H 6.000 . 6.000 3.487 2.156 3.937 . 0 0 "[ . 1]" 1
392 1 35 PRO HG2 1 36 SER H 3.200 . 3.200 2.682 1.919 3.205 0.005 3 0 "[ . 1]" 1
393 1 36 SER H 1 36 SER HB3 3.800 . 3.800 3.505 2.527 3.803 0.003 7 0 "[ . 1]" 1
394 1 36 SER H 1 36 SER HB2 3.800 . 3.800 2.789 2.321 3.368 . 0 0 "[ . 1]" 1
395 1 31 SER H 1 37 ASP HB3 6.000 . 6.000 3.606 2.853 4.467 . 0 0 "[ . 1]" 1
396 1 31 SER HB3 1 37 ASP H 6.000 . 6.000 4.504 3.932 5.393 . 0 0 "[ . 1]" 1
397 1 34 SER H 1 37 ASP HB3 6.000 . 6.000 4.010 3.254 5.126 . 0 0 "[ . 1]" 1
398 1 34 SER H 1 37 ASP HB2 6.000 . 6.000 3.598 2.452 4.656 . 0 0 "[ . 1]" 1
399 1 34 SER HA 1 37 ASP H 6.000 . 6.000 5.232 4.502 5.695 . 0 0 "[ . 1]" 1
400 1 34 SER HB2 1 37 ASP H 4.500 . 4.500 4.087 3.449 4.501 0.001 4 0 "[ . 1]" 1
401 1 35 PRO HA 1 37 ASP H 4.400 . 4.400 4.271 3.883 4.543 0.143 5 0 "[ . 1]" 1
402 1 36 SER H 1 37 ASP HA 6.000 . 6.000 4.717 4.236 5.026 . 0 0 "[ . 1]" 1
403 1 36 SER H 1 37 ASP HB3 6.000 . 6.000 5.210 4.691 5.636 . 0 0 "[ . 1]" 1
404 1 36 SER HA 1 37 ASP H 3.800 . 3.800 2.797 2.552 3.457 . 0 0 "[ . 1]" 1
405 1 36 SER HB3 1 37 ASP H 6.000 . 6.000 4.385 4.282 4.615 . 0 0 "[ . 1]" 1
406 1 36 SER H 1 37 ASP H 3.200 . 3.200 2.784 2.111 3.207 0.007 6 0 "[ . 1]" 1
407 1 37 ASP H 1 37 ASP HB3 3.800 . 3.800 3.254 2.759 3.680 . 0 0 "[ . 1]" 1
408 1 37 ASP H 1 37 ASP HB2 3.200 . 3.200 2.603 2.259 2.947 . 0 0 "[ . 1]" 1
409 1 31 SER H 1 38 PHE HA 4.200 . 4.200 3.184 2.258 3.726 . 0 0 "[ . 1]" 1
410 1 31 SER H 1 38 PHE HB3 6.000 . 6.000 5.409 4.291 5.914 . 0 0 "[ . 1]" 1
411 1 31 SER H 1 38 PHE H 6.000 . 6.000 4.881 4.462 5.602 . 0 0 "[ . 1]" 1
412 1 37 ASP HA 1 38 PHE H 3.200 . 3.200 2.159 2.132 2.179 . 0 0 "[ . 1]" 1
413 1 37 ASP HB3 1 38 PHE H 3.800 . 3.800 3.604 3.208 3.822 0.022 7 0 "[ . 1]" 1
414 1 37 ASP H 1 38 PHE H 6.000 . 6.000 4.371 4.183 4.525 . 0 0 "[ . 1]" 1
415 1 28 ILE MG 1 39 SER H 6.000 . 6.000 4.108 2.508 5.170 . 0 0 "[ . 1]" 1
416 1 29 ARG H 1 39 SER HB2 6.000 . 6.000 4.168 3.529 4.778 . 0 0 "[ . 1]" 1
417 1 29 ARG HG3 1 39 SER H 6.000 . 6.000 3.220 2.786 3.753 . 0 0 "[ . 1]" 1
418 1 29 ARG H 1 39 SER H . . 3.800 2.565 2.416 3.248 . 0 0 "[ . 1]" 1
419 1 30 ASP HA 1 39 SER H 6.000 . 6.000 4.049 3.733 4.244 . 0 0 "[ . 1]" 1
420 1 31 SER H 1 39 SER H 6.000 . 6.000 4.870 4.084 5.397 . 0 0 "[ . 1]" 1
421 1 38 PHE HA 1 39 SER H 3.200 . 3.200 2.271 2.196 2.385 . 0 0 "[ . 1]" 1
422 1 38 PHE HB3 1 39 SER H 3.800 . 3.800 2.880 2.659 3.157 . 0 0 "[ . 1]" 1
423 1 38 PHE HB2 1 39 SER H 6.000 . 6.000 3.990 3.538 4.249 . 0 0 "[ . 1]" 1
424 1 38 PHE H 1 39 SER H 6.000 . 6.000 4.375 4.279 4.476 . 0 0 "[ . 1]" 1
425 1 39 SER H 1 39 SER HB2 3.800 . 3.800 2.711 2.548 3.061 . 0 0 "[ . 1]" 1
426 1 27 LEU H 1 40 VAL MG1 6.000 . 6.000 4.878 4.688 5.096 . 0 0 "[ . 1]" 1
427 1 29 ARG H 1 40 VAL MG1 6.000 . 6.000 4.675 3.859 5.044 . 0 0 "[ . 1]" 1
428 1 39 SER HA 1 40 VAL H 3.200 . 3.200 2.240 2.173 2.257 . 0 0 "[ . 1]" 1
429 1 39 SER HB3 1 40 VAL H 6.000 . 6.000 3.362 3.088 3.947 . 0 0 "[ . 1]" 1
430 1 39 SER HB2 1 40 VAL H 6.000 . 6.000 4.239 3.879 4.336 . 0 0 "[ . 1]" 1
431 1 9 THR MG 1 41 SER H 6.000 . 6.000 3.252 2.053 4.862 . 0 0 "[ . 1]" 1
432 1 27 LEU MD1 1 41 SER H 6.000 . 6.000 4.032 2.495 4.797 . 0 0 "[ . 1]" 1
433 1 27 LEU MD2 1 41 SER H 6.000 . 6.000 4.198 3.622 4.771 . 0 0 "[ . 1]" 1
434 1 27 LEU H 1 41 SER H 6.000 . 6.000 2.817 2.572 3.150 . 0 0 "[ . 1]" 1
435 1 28 ILE HA 1 41 SER H 6.000 . 6.000 4.005 3.793 4.192 . 0 0 "[ . 1]" 1
436 1 40 VAL MG1 1 41 SER H 6.000 . 6.000 3.992 3.774 4.195 . 0 0 "[ . 1]" 1
437 1 41 SER H 1 41 SER HB3 3.800 . 3.800 3.485 2.944 3.800 . 7 0 "[ . 1]" 1
438 1 25 ASP H 1 42 LEU MD1 6.000 . 6.000 3.115 2.307 4.584 . 0 0 "[ . 1]" 1
439 1 26 PHE H 1 42 LEU HA 6.000 . 6.000 4.866 4.651 5.513 . 0 0 "[ . 1]" 1
440 1 27 LEU H 1 42 LEU HA 6.000 . 6.000 4.174 3.913 4.342 . 0 0 "[ . 1]" 1
441 1 41 SER HA 1 42 LEU H 3.200 . 3.200 2.195 2.172 2.214 . 0 0 "[ . 1]" 1
442 1 41 SER HB2 1 42 LEU H 6.000 . 6.000 4.169 3.648 4.408 . 0 0 "[ . 1]" 1
443 1 41 SER H 1 42 LEU H 6.000 . 6.000 4.448 4.369 4.473 . 0 0 "[ . 1]" 1
444 1 42 LEU H 1 42 LEU HB3 3.800 . 3.800 2.832 2.689 3.075 . 0 0 "[ . 1]" 1
445 1 42 LEU H 1 42 LEU HB2 3.800 . 3.800 2.981 2.745 3.103 . 0 0 "[ . 1]" 1
446 1 17 LEU MD1 1 43 LYS H 6.000 . 6.000 3.630 3.317 3.884 . 0 0 "[ . 1]" 1
447 1 17 LEU MD2 1 43 LYS H 6.000 . 6.000 4.684 4.110 4.901 . 0 0 "[ . 1]" 1
448 1 26 PHE HA 1 43 LYS H 6.000 . 6.000 4.344 3.964 4.609 . 0 0 "[ . 1]" 1
449 1 42 LEU HA 1 43 LYS H 3.200 . 3.200 2.305 2.152 2.344 . 0 0 "[ . 1]" 1
450 1 42 LEU HB2 1 43 LYS H 6.000 . 6.000 3.919 3.785 4.328 . 0 0 "[ . 1]" 1
451 1 42 LEU MD1 1 43 LYS H 6.000 . 6.000 2.289 1.796 2.549 0.004 4 0 "[ . 1]" 1
452 1 44 ALA HA 1 45 SER H 6.000 . 6.000 2.670 2.641 2.688 . 0 0 "[ . 1]" 1
453 1 44 ALA MB 1 45 SER H 3.800 . 3.800 2.064 1.913 2.230 . 0 0 "[ . 1]" 1
454 1 44 ALA H 1 45 SER H 6.000 . 6.000 4.373 4.351 4.423 . 0 0 "[ . 1]" 1
455 1 45 SER H 1 45 SER HB2 3.200 . 3.200 2.468 2.129 3.253 0.053 7 0 "[ . 1]" 1
456 1 44 ALA HA 1 46 GLY H 6.000 . 6.000 4.842 4.803 4.865 . 0 0 "[ . 1]" 1
457 1 44 ALA MB 1 46 GLY H 6.000 . 6.000 4.249 4.127 4.377 . 0 0 "[ . 1]" 1
458 1 45 SER HB2 1 46 GLY H 6.000 . 6.000 4.559 4.235 4.670 . 0 0 "[ . 1]" 1
459 1 45 SER H 1 46 GLY H 6.000 . 6.000 3.997 3.969 4.032 . 0 0 "[ . 1]" 1
460 1 44 ALA HA 1 47 LYS H 6.000 . 6.000 4.759 4.506 5.260 . 0 0 "[ . 1]" 1
461 1 44 ALA MB 1 47 LYS H 3.800 . 3.800 2.795 2.568 3.011 . 0 0 "[ . 1]" 1
462 1 44 ALA H 1 47 LYS H 3.800 . 3.800 3.796 3.485 4.004 0.204 4 0 "[ . 1]" 1
463 1 45 SER H 1 47 LYS H 6.000 . 6.000 3.730 3.493 4.332 . 0 0 "[ . 1]" 1
464 1 46 GLY HA2 1 47 LYS H 3.200 . 3.200 3.383 3.289 3.529 0.329 2 0 "[ . 1]" 1
465 1 46 GLY H 1 47 LYS H 3.800 . 3.800 2.840 2.646 3.222 . 0 0 "[ . 1]" 1
466 1 47 LYS H 1 47 LYS HB3 3.200 . 3.200 3.257 2.883 3.413 0.213 3 0 "[ . 1]" 1
467 1 47 LYS H 1 47 LYS HB2 3.200 . 3.200 2.582 2.265 3.502 0.302 4 0 "[ . 1]" 1
468 1 47 LYS H 1 47 LYS HE2 6.000 . 6.000 4.873 2.012 5.915 . 0 0 "[ . 1]" 1
469 1 42 LEU H 1 48 ASN HB3 6.000 . 6.000 5.965 5.553 6.037 0.037 10 0 "[ . 1]" 1
470 1 44 ALA MB 1 48 ASN H 6.000 . 6.000 4.184 3.988 4.500 . 0 0 "[ . 1]" 1
471 1 47 LYS HA 1 48 ASN H 3.200 . 3.200 2.413 2.382 2.441 . 0 0 "[ . 1]" 1
472 1 47 LYS HB3 1 48 ASN H 3.200 . 3.200 2.893 2.579 3.292 0.092 4 0 "[ . 1]" 1
473 1 47 LYS HD2 1 48 ASN H 3.500 . 3.500 2.880 1.926 3.688 0.188 2 0 "[ . 1]" 1
474 1 47 LYS H 1 48 ASN H 6.000 . 6.000 4.497 4.444 4.517 . 0 0 "[ . 1]" 1
475 1 48 ASN H 1 48 ASN HB2 3.800 . 3.800 3.688 3.210 3.827 0.027 5 0 "[ . 1]" 1
476 1 42 LEU HB2 1 49 LYS H 6.000 . 6.000 5.035 4.569 5.518 . 0 0 "[ . 1]" 1
477 1 42 LEU H 1 49 LYS H 6.000 . 6.000 3.737 2.893 4.485 . 0 0 "[ . 1]" 1
478 1 44 ALA MB 1 49 LYS H 5.000 . 5.000 3.659 2.849 4.030 . 0 0 "[ . 1]" 1
479 1 48 ASN HA 1 49 LYS H 3.200 . 3.200 2.196 2.137 2.284 . 0 0 "[ . 1]" 1
480 1 48 ASN HB3 1 49 LYS H 6.000 . 6.000 4.109 3.863 4.403 . 0 0 "[ . 1]" 1
481 1 48 ASN HB2 1 49 LYS H 3.800 . 3.800 3.435 2.842 3.851 0.051 3 0 "[ . 1]" 1
482 1 49 LYS H 1 49 LYS HG2 3.800 . 3.800 3.096 1.803 4.051 0.251 6 0 "[ . 1]" 1
483 1 49 LYS HA 1 50 HIS H 3.200 . 3.200 2.169 2.137 2.262 . 0 0 "[ . 1]" 1
484 1 49 LYS H 1 50 HIS H 6.000 . 6.000 4.345 4.084 4.545 . 0 0 "[ . 1]" 1
485 1 50 HIS H 1 50 HIS HB3 3.200 . 3.200 3.047 2.877 3.226 0.026 3 0 "[ . 1]" 1
486 1 50 HIS HB3 1 51 PHE H 3.800 . 3.800 3.820 3.590 3.874 0.074 2 0 "[ . 1]" 1
487 1 50 HIS H 1 51 PHE H 6.000 . 6.000 4.537 4.410 4.614 . 0 0 "[ . 1]" 1
488 1 40 VAL H 1 52 LYS HA 6.000 . 6.000 3.417 2.725 3.912 . 0 0 "[ . 1]" 1
489 1 52 LYS H 1 52 LYS HB3 3.200 . 3.200 2.977 2.745 3.105 . 0 0 "[ . 1]" 1
490 1 38 PHE H 1 53 VAL HB 6.000 . 6.000 3.086 2.752 3.483 . 0 0 "[ . 1]" 1
491 1 38 PHE HB2 1 53 VAL H 6.000 . 6.000 4.172 3.818 4.638 . 0 0 "[ . 1]" 1
492 1 39 SER H 1 53 VAL MG2 6.000 . 6.000 4.674 4.179 4.891 . 0 0 "[ . 1]" 1
493 1 39 SER HA 1 53 VAL H 6.000 . 6.000 2.737 1.986 3.315 . 0 0 "[ . 1]" 1
494 1 52 LYS H 1 53 VAL MG2 6.000 . 6.000 4.213 3.798 4.809 . 0 0 "[ . 1]" 1
495 1 52 LYS HA 1 53 VAL H 3.200 . 3.200 2.166 2.131 2.192 . 0 0 "[ . 1]" 1
496 1 52 LYS HB3 1 53 VAL H 3.800 . 3.800 3.851 3.786 3.950 0.150 7 0 "[ . 1]" 1
497 1 52 LYS HG2 1 53 VAL H 6.000 . 6.000 3.165 2.385 4.293 . 0 0 "[ . 1]" 1
498 1 53 VAL H 1 53 VAL HB 3.800 . 3.800 2.628 2.570 2.692 . 0 0 "[ . 1]" 1
499 1 53 VAL HA 1 54 GLN H 3.200 . 3.200 2.149 2.134 2.160 . 0 0 "[ . 1]" 1
500 1 53 VAL MG1 1 54 GLN H 6.000 . 6.000 3.020 2.905 3.137 . 0 0 "[ . 1]" 1
501 1 53 VAL MG2 1 54 GLN H 6.000 . 6.000 4.175 4.078 4.226 . 0 0 "[ . 1]" 1
502 1 53 VAL H 1 54 GLN H 6.000 . 6.000 4.195 4.139 4.295 . 0 0 "[ . 1]" 1
503 1 54 GLN H 1 54 GLN HB3 3.800 . 3.800 2.893 2.755 3.162 . 0 0 "[ . 1]" 1
504 1 36 SER HB3 1 55 LEU H 6.000 . 6.000 3.604 2.573 4.822 . 0 0 "[ . 1]" 1
505 1 36 SER HB2 1 55 LEU H 6.000 . 6.000 4.104 2.956 4.880 . 0 0 "[ . 1]" 1
506 1 54 GLN HA 1 55 LEU H 3.200 . 3.200 2.218 2.168 2.253 . 0 0 "[ . 1]" 1
507 1 55 LEU H 1 55 LEU HB3 3.200 . 3.200 2.449 2.089 3.268 0.068 4 0 "[ . 1]" 1
508 1 55 LEU H 1 55 LEU HB2 3.200 . 3.200 2.913 2.118 3.270 0.070 9 0 "[ . 1]" 1
509 1 55 LEU HA 1 56 VAL H 3.200 . 3.200 2.130 2.105 2.153 . 0 0 "[ . 1]" 1
510 1 55 LEU MD2 1 56 VAL H 6.000 . 6.000 2.832 2.457 3.361 . 0 0 "[ . 1]" 1
511 1 55 LEU H 1 56 VAL H 6.000 . 6.000 4.353 4.257 4.398 . 0 0 "[ . 1]" 1
512 1 56 VAL H 1 56 VAL HB 3.200 . 3.200 2.448 2.396 2.624 . 0 0 "[ . 1]" 1
513 1 56 VAL H 1 56 VAL MG1 3.800 . 3.800 2.934 2.587 3.081 . 0 0 "[ . 1]" 1
514 1 56 VAL HB 1 57 ASP H 6.000 . 6.000 4.322 4.187 4.380 . 0 0 "[ . 1]" 1
515 1 56 VAL MG1 1 57 ASP H 3.600 . 3.600 2.912 2.845 3.121 . 0 0 "[ . 1]" 1
516 1 55 LEU MD2 1 58 ASN H 6.000 . 6.000 2.591 2.109 3.624 . 0 0 "[ . 1]" 1
517 1 56 VAL MG1 1 58 ASN H 6.000 . 6.000 4.567 4.338 4.688 . 0 0 "[ . 1]" 1
518 1 57 ASP HA 1 58 ASN H 3.200 . 3.200 2.611 2.538 2.745 . 0 0 "[ . 1]" 1
519 1 57 ASP HB2 1 58 ASN H 6.000 . 6.000 4.506 4.365 4.664 . 0 0 "[ . 1]" 1
520 1 57 ASP H 1 58 ASN H 3.200 . 3.200 3.235 3.146 3.285 0.085 2 0 "[ . 1]" 1
521 1 58 ASN H 1 58 ASN HB3 3.800 . 3.800 3.572 3.030 3.809 0.009 3 0 "[ . 1]" 1
522 1 55 LEU HA 1 59 VAL H 6.000 . 6.000 4.175 3.929 4.371 . 0 0 "[ . 1]" 1
523 1 55 LEU MD2 1 59 VAL H 6.000 . 6.000 2.218 1.887 2.570 . 0 0 "[ . 1]" 1
524 1 56 VAL H 1 59 VAL H . . 3.200 3.134 2.960 3.242 0.042 4 0 "[ . 1]" 1
525 1 57 ASP HB3 1 59 VAL H 6.000 . 6.000 4.901 4.099 5.596 . 0 0 "[ . 1]" 1
526 1 57 ASP HB2 1 59 VAL H 6.000 . 6.000 5.125 4.518 5.342 . 0 0 "[ . 1]" 1
527 1 57 ASP H 1 59 VAL H 6.000 . 6.000 4.160 4.030 4.316 . 0 0 "[ . 1]" 1
528 1 58 ASN HB3 1 59 VAL H 6.000 . 6.000 4.132 4.064 4.391 . 0 0 "[ . 1]" 1
529 1 58 ASN H 1 59 VAL H 3.200 . 3.200 2.618 2.565 2.680 . 0 0 "[ . 1]" 1
530 1 53 VAL MG1 1 61 CYS H 6.000 . 6.000 3.507 3.221 3.861 . 0 0 "[ . 1]" 1
531 1 54 GLN H 1 61 CYS HB3 6.000 . 6.000 3.527 2.003 4.511 . 0 0 "[ . 1]" 1
532 1 54 GLN H 1 61 CYS HB2 6.000 . 6.000 4.190 2.444 4.733 . 0 0 "[ . 1]" 1
533 1 54 GLN H 1 61 CYS H . . 3.800 3.388 3.053 3.689 . 0 0 "[ . 1]" 1
534 1 55 LEU H 1 61 CYS HB3 6.000 . 6.000 5.714 5.006 6.284 0.284 4 0 "[ . 1]" 1
535 1 55 LEU HB2 1 61 CYS H 6.000 . 6.000 4.774 4.172 5.390 . 0 0 "[ . 1]" 1
536 1 55 LEU MD2 1 61 CYS H 6.000 . 6.000 4.648 4.173 4.870 . 0 0 "[ . 1]" 1
537 1 60 TYR HA 1 61 CYS H 3.200 . 3.200 2.147 2.112 2.169 . 0 0 "[ . 1]" 1
538 1 60 TYR HB2 1 61 CYS H 6.000 . 6.000 4.210 3.980 4.435 . 0 0 "[ . 1]" 1
539 1 61 CYS H 1 61 CYS HB3 3.800 . 3.800 2.647 2.416 3.661 . 0 0 "[ . 1]" 1
540 1 53 VAL MG2 1 62 ILE H 6.000 . 6.000 4.850 4.765 4.915 . 0 0 "[ . 1]" 1
541 1 61 CYS HA 1 62 ILE H 3.500 . 3.500 2.207 2.132 2.282 . 0 0 "[ . 1]" 1
542 1 61 CYS HB3 1 62 ILE H 6.000 . 6.000 4.047 3.127 4.283 . 0 0 "[ . 1]" 1
543 1 61 CYS HB2 1 62 ILE H 6.000 . 6.000 3.504 2.823 4.263 . 0 0 "[ . 1]" 1
544 1 61 CYS H 1 62 ILE H 6.000 . 6.000 4.503 4.360 4.573 . 0 0 "[ . 1]" 1
545 1 62 ILE HA 1 63 GLY H 3.200 . 3.200 2.165 2.143 2.203 . 0 0 "[ . 1]" 1
546 1 62 ILE HB 1 63 GLY H 6.000 . 6.000 4.106 3.845 4.295 . 0 0 "[ . 1]" 1
547 1 62 ILE MD 1 63 GLY H 6.000 . 6.000 4.544 4.087 5.064 . 0 0 "[ . 1]" 1
548 1 62 ILE HG13 1 63 GLY H 6.000 . 6.000 5.554 4.933 5.833 . 0 0 "[ . 1]" 1
549 1 62 ILE HG12 1 63 GLY H 6.000 . 6.000 4.938 4.437 5.260 . 0 0 "[ . 1]" 1
550 1 62 ILE MG 1 63 GLY H 6.000 . 6.000 2.808 2.161 3.059 . 0 0 "[ . 1]" 1
551 1 62 ILE H 1 63 GLY H 6.000 . 6.000 4.132 4.009 4.306 . 0 0 "[ . 1]" 1
552 1 60 TYR H 1 66 ARG HA 6.000 . 6.000 5.182 4.770 5.511 . 0 0 "[ . 1]" 1
553 1 62 ILE H 1 66 ARG HA 3.800 . 3.800 3.364 2.952 3.719 . 0 0 "[ . 1]" 1
554 1 62 ILE H 1 66 ARG HD3 3.800 . 3.800 3.864 3.826 3.895 0.095 5 0 "[ . 1]" 1
555 1 62 ILE H 1 66 ARG HG2 6.000 . 6.000 5.954 5.756 6.182 0.182 6 0 "[ . 1]" 1
556 1 66 ARG H 1 66 ARG HB3 3.600 . 3.600 3.710 3.549 3.749 0.149 5 0 "[ . 1]" 1
557 1 66 ARG H 1 66 ARG HD3 6.000 . 6.000 3.324 3.109 3.480 . 0 0 "[ . 1]" 1
558 1 66 ARG H 1 66 ARG HG2 4.400 . 4.400 2.954 2.448 4.471 0.071 2 0 "[ . 1]" 1
559 1 59 VAL HA 1 67 PHE H 6.000 . 6.000 5.538 5.035 5.985 . 0 0 "[ . 1]" 1
560 1 59 VAL HB 1 67 PHE H 6.000 . 6.000 5.323 3.696 6.050 0.050 8 0 "[ . 1]" 1
561 1 59 VAL MG1 1 67 PHE H 6.000 . 6.000 3.326 2.392 5.082 . 0 0 "[ . 1]" 1
562 1 59 VAL MG2 1 67 PHE H 6.000 . 6.000 4.432 3.635 5.101 . 0 0 "[ . 1]" 1
563 1 60 TYR H 1 67 PHE HB3 6.000 . 6.000 5.918 5.288 6.091 0.091 2 0 "[ . 1]" 1
564 1 60 TYR H 1 67 PHE HB2 6.000 . 6.000 5.163 3.906 5.737 . 0 0 "[ . 1]" 1
565 1 60 TYR HB3 1 67 PHE H 6.000 . 6.000 4.941 4.758 5.059 . 0 0 "[ . 1]" 1
566 1 60 TYR HB2 1 67 PHE H 6.000 . 6.000 3.880 3.531 4.516 . 0 0 "[ . 1]" 1
567 1 60 TYR H 1 67 PHE H 6.000 . 6.000 3.803 3.288 4.093 . 0 0 "[ . 1]" 1
568 1 61 CYS HA 1 67 PHE H 6.000 . 6.000 2.794 2.254 3.155 . 0 0 "[ . 1]" 1
569 1 62 ILE H 1 67 PHE H 6.000 . 6.000 4.107 3.629 5.044 . 0 0 "[ . 1]" 1
570 1 66 ARG H 1 67 PHE HA 6.000 . 6.000 5.044 5.016 5.071 . 0 0 "[ . 1]" 1
571 1 66 ARG HA 1 67 PHE H 3.200 . 3.200 2.134 2.074 2.256 . 0 0 "[ . 1]" 1
572 1 66 ARG HB3 1 67 PHE H 3.200 . 3.200 3.204 2.814 3.307 0.107 4 0 "[ . 1]" 1
573 1 66 ARG HD3 1 67 PHE H 6.000 . 6.000 4.210 3.911 4.838 . 0 0 "[ . 1]" 1
574 1 66 ARG HG2 1 67 PHE H 6.000 . 6.000 5.178 4.880 5.287 . 0 0 "[ . 1]" 1
575 1 66 ARG H 1 67 PHE H 6.000 . 6.000 4.375 4.319 4.479 . 0 0 "[ . 1]" 1
576 1 67 PHE H 1 67 PHE HB3 3.800 . 3.800 3.823 3.742 3.861 0.061 7 0 "[ . 1]" 1
577 1 67 PHE H 1 67 PHE HB2 3.800 . 3.800 2.750 2.676 2.837 . 0 0 "[ . 1]" 1
578 1 67 PHE H 1 68 HIS HA 6.000 . 6.000 4.881 4.823 4.936 . 0 0 "[ . 1]" 1
579 1 67 PHE HA 1 68 HIS H 3.200 . 3.200 2.370 2.341 2.391 . 0 0 "[ . 1]" 1
580 1 67 PHE HB3 1 68 HIS H 6.000 . 6.000 2.528 2.444 2.588 . 0 0 "[ . 1]" 1
581 1 67 PHE HB2 1 68 HIS H 3.800 . 3.800 3.667 3.509 3.824 0.024 10 0 "[ . 1]" 1
582 1 67 PHE H 1 68 HIS H 6.000 . 6.000 4.439 4.422 4.450 . 0 0 "[ . 1]" 1
583 1 68 HIS H 1 68 HIS HB3 3.200 . 3.200 2.703 2.492 2.920 . 0 0 "[ . 1]" 1
584 1 67 PHE HB3 1 69 THR H 3.800 . 3.800 3.072 2.460 3.408 . 0 0 "[ . 1]" 1
585 1 67 PHE HB2 1 69 THR H 3.800 . 3.800 3.006 2.570 3.632 . 0 0 "[ . 1]" 1
586 1 68 HIS H 1 69 THR HB 4.200 . 4.200 4.274 4.241 4.324 0.124 3 0 "[ . 1]" 1
587 1 68 HIS HA 1 69 THR H 3.800 . 3.800 2.871 2.726 3.176 . 0 0 "[ . 1]" 1
588 1 68 HIS HB3 1 69 THR H 4.500 . 4.500 4.403 3.885 4.624 0.124 10 0 "[ . 1]" 1
589 1 68 HIS H 1 69 THR H 3.200 . 3.200 2.987 2.422 3.239 0.039 10 0 "[ . 1]" 1
590 1 69 THR HA 1 70 MET H 3.200 . 3.200 2.391 2.333 2.605 . 0 0 "[ . 1]" 1
591 1 69 THR H 1 70 MET H 6.000 . 6.000 4.398 4.369 4.435 . 0 0 "[ . 1]" 1
592 1 70 MET H 1 71 ASP H 3.800 . 3.800 3.598 2.714 3.918 0.118 6 0 "[ . 1]" 1
593 1 71 ASP H 1 71 ASP HB2 3.200 . 3.200 2.986 2.243 3.278 0.078 6 0 "[ . 1]" 1
594 1 70 MET H 1 72 GLU H 6.000 . 6.000 2.766 2.578 2.934 . 0 0 "[ . 1]" 1
595 1 71 ASP H 1 72 GLU HA 6.000 . 6.000 5.056 4.632 5.283 . 0 0 "[ . 1]" 1
596 1 71 ASP HB2 1 72 GLU H 3.800 . 3.800 3.850 3.727 3.892 0.092 8 0 "[ . 1]" 1
597 1 71 ASP H 1 72 GLU H 3.800 . 3.800 2.730 2.060 3.043 . 0 0 "[ . 1]" 1
598 1 70 MET H 1 73 LEU H 3.800 . 3.800 3.421 3.083 3.921 0.121 7 0 "[ . 1]" 1
599 1 71 ASP H 1 73 LEU H 6.000 . 6.000 3.444 3.037 4.372 . 0 0 "[ . 1]" 1
600 1 72 GLU H 1 73 LEU HA 6.000 . 6.000 4.688 4.570 4.931 . 0 0 "[ . 1]" 1
601 1 72 GLU H 1 73 LEU MD2 6.000 . 6.000 5.147 5.110 5.194 . 0 0 "[ . 1]" 1
602 1 72 GLU HA 1 73 LEU H 6.000 . 6.000 3.397 3.377 3.412 . 0 0 "[ . 1]" 1
603 1 73 LEU H 1 73 LEU HB3 3.200 . 3.200 2.731 2.616 2.883 . 0 0 "[ . 1]" 1
604 1 73 LEU H 1 73 LEU HB2 3.800 . 3.800 3.602 3.577 3.620 . 0 0 "[ . 1]" 1
605 1 73 LEU HA 1 74 VAL H 6.000 . 6.000 3.330 3.241 3.391 . 0 0 "[ . 1]" 1
606 1 73 LEU HB2 1 74 VAL H 6.000 . 6.000 4.159 4.006 4.313 . 0 0 "[ . 1]" 1
607 1 73 LEU HG 1 74 VAL H 6.000 . 6.000 4.283 3.963 4.572 . 0 0 "[ . 1]" 1
608 1 73 LEU H 1 74 VAL H 3.200 . 3.200 2.550 2.480 2.633 . 0 0 "[ . 1]" 1
609 1 74 VAL H 1 74 VAL HB 3.200 . 3.200 2.946 2.803 3.103 . 0 0 "[ . 1]" 1
610 1 74 VAL H 1 74 VAL MG1 4.300 . 4.300 3.707 3.640 3.753 . 0 0 "[ . 1]" 1
611 1 74 VAL H 1 75 GLU H 3.200 . 3.200 2.322 2.118 2.484 . 0 0 "[ . 1]" 1
612 1 73 LEU HA 1 75 GLU H 3.200 . 3.200 3.435 3.395 3.489 0.289 6 0 "[ . 1]" 1
613 1 73 LEU H 1 75 GLU H 6.000 . 6.000 4.129 4.011 4.284 . 0 0 "[ . 1]" 1
614 1 74 VAL HA 1 75 GLU H 6.000 . 6.000 3.318 3.289 3.337 . 0 0 "[ . 1]" 1
615 1 74 VAL HB 1 75 GLU H 3.200 . 3.200 3.412 3.346 3.454 0.254 1 0 "[ . 1]" 1
616 1 74 VAL MG1 1 75 GLU H 6.000 . 6.000 4.261 4.190 4.345 . 0 0 "[ . 1]" 1
617 1 75 GLU H 1 76 HIS H 3.200 . 3.200 2.266 2.043 2.776 . 0 0 "[ . 1]" 1
618 1 74 VAL HA 1 76 HIS H 6.000 . 6.000 4.113 3.894 4.538 . 0 0 "[ . 1]" 1
619 1 73 LEU MD1 1 77 TYR H 6.000 . 6.000 4.581 4.296 4.735 . 0 0 "[ . 1]" 1
620 1 74 VAL HA 1 77 TYR H 3.200 . 3.200 3.316 3.220 3.389 0.189 7 0 "[ . 1]" 1
621 1 75 GLU H 1 77 TYR H 6.000 . 6.000 3.393 3.225 3.606 . 0 0 "[ . 1]" 1
622 1 76 HIS H 1 77 TYR H 3.800 . 3.800 1.993 1.840 2.086 . 0 0 "[ . 1]" 1
623 1 77 TYR H 1 77 TYR HB3 3.800 . 3.800 3.200 2.905 3.700 . 0 0 "[ . 1]" 1
624 1 77 TYR H 1 77 TYR HB2 3.800 . 3.800 3.940 3.895 3.972 0.172 3 0 "[ . 1]" 1
625 1 73 LEU H 1 78 LYS HE2 6.000 . 6.000 5.597 4.414 6.048 0.048 8 0 "[ . 1]" 1
626 1 73 LEU H 1 78 LYS HG2 6.000 . 6.000 4.733 4.443 4.929 . 0 0 "[ . 1]" 1
627 1 76 HIS H 1 78 LYS HG2 4.500 . 4.500 3.949 3.407 4.533 0.033 7 0 "[ . 1]" 1
628 1 77 TYR HA 1 78 LYS H 6.000 . 6.000 2.475 2.279 2.646 . 0 0 "[ . 1]" 1
629 1 77 TYR HB3 1 78 LYS H 6.000 . 6.000 4.555 4.203 4.639 . 0 0 "[ . 1]" 1
630 1 77 TYR H 1 78 LYS H . . 3.200 3.201 3.059 3.278 0.078 9 0 "[ . 1]" 1
631 1 78 LYS H 1 78 LYS HB2 3.200 . 3.200 2.800 2.507 3.498 0.298 1 0 "[ . 1]" 1
632 1 78 LYS H 1 78 LYS HG3 3.200 . 3.200 2.941 2.254 3.269 0.069 7 0 "[ . 1]" 1
633 1 68 HIS H 1 79 LYS HG3 6.600 . 6.600 4.888 3.000 6.610 0.010 7 0 "[ . 1]" 1
634 1 68 HIS H 1 79 LYS H 6.000 . 6.000 5.840 5.141 6.188 0.188 10 0 "[ . 1]" 1
635 1 77 TYR HA 1 79 LYS H 6.000 . 6.000 5.263 4.204 6.009 0.009 4 0 "[ . 1]" 1
636 1 78 LYS HA 1 79 LYS H 6.000 . 6.000 3.403 3.196 3.573 . 0 0 "[ . 1]" 1
637 1 78 LYS HB2 1 79 LYS H 3.200 . 3.200 1.956 1.789 2.170 0.011 7 0 "[ . 1]" 1
638 1 79 LYS H 1 79 LYS HG3 3.800 . 3.800 3.485 2.826 3.857 0.057 9 0 "[ . 1]" 1
639 1 78 LYS HA 1 80 ALA H 6.000 . 6.000 4.535 4.274 4.885 . 0 0 "[ . 1]" 1
640 1 78 LYS H 1 80 ALA H 6.000 . 6.000 4.426 4.244 4.596 . 0 0 "[ . 1]" 1
641 1 79 LYS H 1 80 ALA MB 6.000 . 6.000 4.236 3.792 4.526 . 0 0 "[ . 1]" 1
642 1 79 LYS HA 1 80 ALA H 6.000 . 6.000 2.460 2.447 2.491 . 0 0 "[ . 1]" 1
643 1 79 LYS HG3 1 80 ALA H 6.000 . 6.000 5.249 4.586 5.948 . 0 0 "[ . 1]" 1
644 1 79 LYS H 1 80 ALA H 3.800 . 3.800 3.428 3.142 3.653 . 0 0 "[ . 1]" 1
645 1 80 ALA H 1 80 ALA MB 3.200 . 3.200 2.264 2.214 2.377 . 0 0 "[ . 1]" 1
646 1 80 ALA H 1 81 PRO HD2 6.000 . 6.000 4.776 4.689 4.875 . 0 0 "[ . 1]" 1
647 1 81 PRO HA 1 82 ILE H 3.200 . 3.200 3.193 3.070 3.266 0.066 7 0 "[ . 1]" 1
648 1 81 PRO HB2 1 82 ILE H 6.000 . 6.000 4.087 3.936 4.244 . 0 0 "[ . 1]" 1
649 1 81 PRO HB2 1 83 PHE H 6.600 . 6.600 5.598 5.116 5.965 . 0 0 "[ . 1]" 1
650 1 82 ILE HA 1 83 PHE H 6.000 . 6.000 2.140 2.080 2.248 . 0 0 "[ . 1]" 1
651 1 82 ILE MD 1 83 PHE H 6.000 . 6.000 4.675 3.746 5.201 . 0 0 "[ . 1]" 1
652 1 82 ILE MG 1 83 PHE H 3.800 . 3.800 2.359 1.917 2.875 . 0 0 "[ . 1]" 1
653 1 82 ILE H 1 83 PHE H 4.300 . 4.300 4.468 4.348 4.556 0.256 7 0 "[ . 1]" 1
654 1 83 PHE H 1 83 PHE HB3 3.800 . 3.800 3.189 2.790 3.526 . 0 0 "[ . 1]" 1
655 1 83 PHE HA 1 84 THR H 3.200 . 3.200 2.299 2.222 2.343 . 0 0 "[ . 1]" 1
656 1 83 PHE HB3 1 84 THR H 6.000 . 6.000 3.374 2.799 4.218 . 0 0 "[ . 1]" 1
657 1 83 PHE HB2 1 84 THR H 6.000 . 6.000 4.091 3.859 4.403 . 0 0 "[ . 1]" 1
658 1 84 THR H 1 84 THR HB 3.200 . 3.200 2.755 2.593 2.922 . 0 0 "[ . 1]" 1
659 1 84 THR HA 1 85 SER H 3.200 . 3.200 2.188 2.122 2.274 . 0 0 "[ . 1]" 1
660 1 84 THR HB 1 85 SER H 6.000 . 6.000 3.966 3.423 4.345 . 0 0 "[ . 1]" 1
661 1 84 THR MG 1 85 SER H 3.800 . 3.800 2.375 1.877 2.916 . 0 0 "[ . 1]" 1
662 1 85 SER H 1 85 SER HB3 3.200 . 3.200 2.814 2.428 3.261 0.061 7 0 "[ . 1]" 1
663 1 85 SER H 1 85 SER HB2 3.800 . 3.800 2.781 2.289 3.230 . 0 0 "[ . 1]" 1
664 1 84 THR MG 1 88 GLY H 6.600 . 6.600 4.004 2.955 5.261 . 0 0 "[ . 1]" 1
665 1 85 SER H 1 88 GLY H 6.000 . 6.000 4.285 3.457 6.006 0.006 7 0 "[ . 1]" 1
666 1 84 THR MG 1 89 GLU H 6.000 . 6.000 3.569 2.701 4.288 . 0 0 "[ . 1]" 1
667 1 85 SER HB2 1 89 GLU H 6.000 . 6.000 4.446 3.428 6.006 0.006 9 0 "[ . 1]" 1
668 1 85 SER H 1 89 GLU H 3.800 . 3.800 3.191 2.664 3.820 0.020 9 0 "[ . 1]" 1
669 1 88 GLY HA3 1 89 GLU H 3.800 . 3.800 3.164 2.351 3.537 . 0 0 "[ . 1]" 1
670 1 89 GLU H 1 89 GLU HG3 3.200 . 3.200 3.193 2.520 3.482 0.282 5 0 "[ . 1]" 1
671 1 83 PHE H 1 90 LYS HA 6.000 . 6.000 4.643 3.794 5.160 . 0 0 "[ . 1]" 1
672 1 84 THR HA 1 90 LYS H 6.000 . 6.000 4.454 3.565 4.924 . 0 0 "[ . 1]" 1
673 1 85 SER H 1 90 LYS H 6.000 . 6.000 4.579 4.121 5.118 . 0 0 "[ . 1]" 1
674 1 89 GLU H 1 90 LYS HD2 6.000 . 6.000 5.033 4.002 6.011 0.011 1 0 "[ . 1]" 1
675 1 89 GLU HG3 1 90 LYS H 3.800 . 3.800 3.938 3.716 4.126 0.326 7 0 "[ . 1]" 1
676 1 89 GLU H 1 90 LYS H 6.000 . 6.000 4.319 3.504 4.595 . 0 0 "[ . 1]" 1
677 1 90 LYS H 1 90 LYS HB2 3.800 . 3.800 2.614 2.096 3.063 . 0 0 "[ . 1]" 1
678 1 90 LYS H 1 90 LYS HD2 3.800 . 3.800 3.311 1.933 3.844 0.044 9 0 "[ . 1]" 1
679 1 90 LYS H 1 90 LYS HE2 6.000 . 6.000 4.894 1.828 6.002 0.002 2 0 "[ . 1]" 1
680 1 82 ILE MG 1 91 LEU H 6.000 . 6.000 3.185 2.300 3.777 . 0 0 "[ . 1]" 1
681 1 83 PHE HB3 1 91 LEU H 6.000 . 6.000 4.357 3.819 5.146 . 0 0 "[ . 1]" 1
682 1 83 PHE H 1 91 LEU H 6.000 . 6.000 2.803 1.995 3.392 . 0 0 "[ . 1]" 1
683 1 90 LYS HA 1 91 LEU H 3.200 . 3.200 2.154 2.075 2.200 . 0 0 "[ . 1]" 1
684 1 90 LYS HB3 1 91 LEU H 3.200 . 3.200 3.148 2.901 3.258 0.058 2 0 "[ . 1]" 1
685 1 90 LYS HB2 1 91 LEU H 6.000 . 6.000 4.038 3.519 4.317 . 0 0 "[ . 1]" 1
686 1 91 LEU H 1 91 LEU HB2 3.800 . 3.800 2.651 2.378 3.000 . 0 0 "[ . 1]" 1
687 1 42 LEU HB2 1 92 TYR H 6.000 . 6.000 6.028 5.457 6.258 0.258 6 0 "[ . 1]" 1
688 1 42 LEU MD2 1 92 TYR H 6.000 . 6.000 2.793 2.059 3.221 . 0 0 "[ . 1]" 1
689 1 82 ILE H 1 92 TYR HA 6.000 . 6.000 5.416 5.019 5.640 . 0 0 "[ . 1]" 1
690 1 82 ILE MG 1 92 TYR H 6.000 . 6.000 3.737 3.314 4.291 . 0 0 "[ . 1]" 1
691 1 91 LEU HA 1 92 TYR H 3.200 . 3.200 2.251 2.196 2.312 . 0 0 "[ . 1]" 1
692 1 91 LEU HB2 1 92 TYR H 4.400 . 4.400 4.417 3.773 4.628 0.228 5 0 "[ . 1]" 1
693 1 91 LEU MD2 1 92 TYR H 6.000 . 6.000 3.695 2.490 4.527 . 0 0 "[ . 1]" 1
694 1 91 LEU H 1 92 TYR H 6.000 . 6.000 3.948 3.604 4.328 . 0 0 "[ . 1]" 1
695 1 92 TYR H 1 92 TYR HB2 3.800 . 3.800 2.996 2.206 3.907 0.107 10 0 "[ . 1]" 1
696 1 74 VAL H 1 93 LEU MD1 6.000 . 6.000 3.959 3.546 4.225 . 0 0 "[ . 1]" 1
697 1 77 TYR H 1 93 LEU MD1 6.000 . 6.000 3.773 3.274 4.601 . 0 0 "[ . 1]" 1
698 1 77 TYR HB2 1 93 LEU H 6.000 . 6.000 4.582 3.546 5.179 . 0 0 "[ . 1]" 1
699 1 82 ILE MD 1 93 LEU H 6.000 . 6.000 2.062 1.739 2.681 0.061 2 0 "[ . 1]" 1
700 1 82 ILE MG 1 93 LEU H 6.000 . 6.000 3.444 3.009 3.883 . 0 0 "[ . 1]" 1
701 1 92 TYR HA 1 93 LEU H 3.200 . 3.200 2.250 2.074 2.451 . 0 0 "[ . 1]" 1
702 1 92 TYR HB3 1 93 LEU H 3.800 . 3.800 3.266 2.376 3.819 0.019 9 0 "[ . 1]" 1
703 1 92 TYR HB2 1 93 LEU H 6.000 . 6.000 3.535 2.359 4.190 . 0 0 "[ . 1]" 1
704 1 93 LEU H 1 93 LEU HG 3.200 . 3.200 2.620 2.052 3.291 0.091 4 0 "[ . 1]" 1
705 1 24 GLY H 1 94 VAL MG1 6.000 . 6.000 4.877 4.760 5.085 . 0 0 "[ . 1]" 1
706 1 93 LEU HA 1 94 VAL H 3.200 . 3.200 2.461 2.250 2.595 . 0 0 "[ . 1]" 1
707 1 93 LEU H 1 94 VAL H 6.000 . 6.000 3.643 3.331 4.089 . 0 0 "[ . 1]" 1
708 1 94 VAL H 1 94 VAL HB 3.800 . 3.800 2.919 2.673 3.580 . 0 0 "[ . 1]" 1
709 1 94 VAL H 1 94 VAL MG1 3.800 . 3.800 2.095 1.938 2.598 . 0 0 "[ . 1]" 1
710 1 94 VAL H 1 95 ARG HA 6.000 . 6.000 5.121 4.748 5.275 . 0 0 "[ . 1]" 1
711 1 94 VAL HA 1 95 ARG H 6.000 . 6.000 3.434 3.285 3.492 . 0 0 "[ . 1]" 1
712 1 94 VAL HB 1 95 ARG H 3.200 . 3.200 3.095 1.881 3.417 0.217 10 0 "[ . 1]" 1
713 1 94 VAL MG1 1 95 ARG H 6.000 . 6.000 2.139 1.722 3.585 0.078 4 0 "[ . 1]" 1
714 1 94 VAL H 1 95 ARG H 3.800 . 3.800 3.647 3.452 3.899 0.099 7 0 "[ . 1]" 1
715 1 95 ARG H 1 95 ARG HB2 3.800 . 3.800 3.003 2.812 3.122 . 0 0 "[ . 1]" 1
716 1 3 TRP H 1 96 ALA MB 6.000 . 6.000 4.743 4.512 4.932 . 0 0 "[ . 1]" 1
717 1 3 TRP HB3 1 96 ALA H 6.000 . 6.000 3.825 2.568 5.488 . 0 0 "[ . 1]" 1
718 1 4 TYR H 1 96 ALA MB 6.000 . 6.000 4.398 3.394 5.033 . 0 0 "[ . 1]" 1
719 1 95 ARG HA 1 96 ALA H 3.200 . 3.200 2.465 2.452 2.489 . 0 0 "[ . 1]" 1
720 1 95 ARG HB3 1 96 ALA H 6.000 . 6.000 2.025 1.994 2.070 . 0 0 "[ . 1]" 1
721 1 95 ARG H 1 96 ALA H 6.000 . 6.000 4.335 4.325 4.359 . 0 0 "[ . 1]" 1
722 1 96 ALA H 1 96 ALA MB 3.200 . 3.200 2.080 1.962 2.185 . 0 0 "[ . 1]" 1
723 1 96 ALA HA 1 97 LEU H 3.200 . 3.200 2.190 2.148 2.344 . 0 0 "[ . 1]" 1
724 1 96 ALA MB 1 97 LEU H 6.000 . 6.000 3.252 3.087 3.644 . 0 0 "[ . 1]" 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 36
_Distance_constraint_stats_list.Viol_count 139
_Distance_constraint_stats_list.Viol_total 108.174
_Distance_constraint_stats_list.Viol_max 0.319
_Distance_constraint_stats_list.Viol_rms 0.0545
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0300
_Distance_constraint_stats_list.Viol_average_violations_only 0.0778
_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 11 HIS 0.882 0.171 8 0 "[ . 1]"
1 13 ALA 0.279 0.105 9 0 "[ . 1]"
1 15 CYS 0.882 0.171 8 0 "[ . 1]"
1 17 LEU 0.279 0.105 9 0 "[ . 1]"
1 25 ASP 0.190 0.090 4 0 "[ . 1]"
1 27 LEU 2.592 0.255 9 0 "[ . 1]"
1 29 ARG 0.101 0.058 10 0 "[ . 1]"
1 38 PHE 0.599 0.092 2 0 "[ . 1]"
1 39 SER 0.101 0.058 10 0 "[ . 1]"
1 40 VAL 0.508 0.107 3 0 "[ . 1]"
1 41 SER 2.592 0.255 9 0 "[ . 1]"
1 42 LEU 0.334 0.144 4 0 "[ . 1]"
1 43 LYS 0.190 0.090 4 0 "[ . 1]"
1 49 LYS 0.334 0.144 4 0 "[ . 1]"
1 51 PHE 0.508 0.107 3 0 "[ . 1]"
1 53 VAL 0.599 0.092 2 0 "[ . 1]"
1 54 GLN 0.306 0.073 4 0 "[ . 1]"
1 56 VAL 0.654 0.100 6 0 "[ . 1]"
1 59 VAL 0.654 0.100 6 0 "[ . 1]"
1 61 CYS 0.306 0.073 4 0 "[ . 1]"
1 83 PHE 2.900 0.319 1 0 "[ . 1]"
1 85 SER 1.471 0.205 5 0 "[ . 1]"
1 89 GLU 1.471 0.205 5 0 "[ . 1]"
1 91 LEU 2.900 0.319 1 0 "[ . 1]"
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 29 ARG O 1 39 SER H 2.200 . 2.200 1.976 1.742 2.160 0.058 10 0 "[ . 1]" 2
2 1 29 ARG O 1 39 SER N 3.300 2.200 3.300 2.901 2.685 3.074 . 0 0 "[ . 1]" 2
3 1 27 LEU O 1 41 SER H 2.200 . 2.200 2.264 2.208 2.289 0.089 2 0 "[ . 1]" 2
4 1 27 LEU O 1 41 SER N 3.300 2.200 3.300 3.120 3.051 3.169 . 0 0 "[ . 1]" 2
5 1 27 LEU H 1 41 SER O 2.200 . 2.200 2.384 2.256 2.455 0.255 9 0 "[ . 1]" 2
6 1 27 LEU N 1 41 SER O 3.300 2.200 3.300 3.280 3.177 3.341 0.041 9 0 "[ . 1]" 2
7 1 25 ASP O 1 43 LYS H 2.900 . 2.900 2.735 2.368 2.990 0.090 4 0 "[ . 1]" 2
8 1 25 ASP O 1 43 LYS N 3.800 2.200 3.800 3.469 3.131 3.816 0.016 4 0 "[ . 1]" 2
9 1 38 PHE O 1 53 VAL H 2.200 . 2.200 1.795 1.727 1.947 0.073 1 0 "[ . 1]" 2
10 1 38 PHE O 1 53 VAL N 3.300 2.200 3.300 2.632 2.457 2.754 . 0 0 "[ . 1]" 2
11 1 38 PHE H 1 53 VAL O 2.200 . 2.200 1.774 1.708 1.863 0.092 2 0 "[ . 1]" 2
12 1 38 PHE N 1 53 VAL O 3.300 2.200 3.300 2.681 2.564 2.733 . 0 0 "[ . 1]" 2
13 1 40 VAL O 1 51 PHE H 3.700 . 3.700 2.619 2.056 3.083 . 0 0 "[ . 1]" 2
14 1 40 VAL O 1 51 PHE N 3.300 2.200 3.300 3.279 2.980 3.383 0.083 8 0 "[ . 1]" 2
15 1 40 VAL H 1 51 PHE O 2.200 . 2.200 2.200 2.072 2.307 0.107 3 0 "[ . 1]" 2
16 1 40 VAL N 1 51 PHE O 3.300 2.200 3.300 3.153 3.005 3.277 . 0 0 "[ . 1]" 2
17 1 42 LEU O 1 49 LYS H 3.700 . 3.700 2.270 1.901 2.786 . 0 0 "[ . 1]" 2
18 1 42 LEU O 1 49 LYS N 3.300 2.200 3.300 2.998 2.731 3.341 0.041 6 0 "[ . 1]" 2
19 1 42 LEU H 1 49 LYS O 3.300 . 3.300 2.276 1.798 2.721 0.002 7 0 "[ . 1]" 2
20 1 42 LEU N 1 49 LYS O 3.300 2.200 3.300 3.190 2.754 3.444 0.144 4 0 "[ . 1]" 2
21 1 85 SER O 1 89 GLU H 2.200 . 2.200 2.275 1.983 2.405 0.205 5 0 "[ . 1]" 2
22 1 85 SER O 1 89 GLU N 3.300 2.200 3.300 3.081 2.691 3.219 . 0 0 "[ . 1]" 2
23 1 85 SER H 1 89 GLU O 2.200 . 2.200 1.927 1.704 2.355 0.155 7 0 "[ . 1]" 2
24 1 85 SER N 1 89 GLU O 3.300 2.200 3.300 2.784 2.513 3.277 . 0 0 "[ . 1]" 2
25 1 83 PHE O 1 91 LEU H 2.200 . 2.200 1.793 1.681 2.259 0.119 6 0 "[ . 1]" 2
26 1 83 PHE O 1 91 LEU N 3.300 2.200 3.300 2.612 2.488 2.909 . 0 0 "[ . 1]" 2
27 1 83 PHE H 1 91 LEU O 2.500 . 2.500 2.642 2.395 2.819 0.319 1 0 "[ . 1]" 2
28 1 83 PHE N 1 91 LEU O 3.300 2.200 3.300 3.305 3.046 3.552 0.252 1 0 "[ . 1]" 2
29 1 13 ALA O 1 17 LEU H 2.800 . 2.800 2.001 1.695 2.515 0.105 9 0 "[ . 1]" 2
30 1 13 ALA O 1 17 LEU N 3.300 2.200 3.300 2.835 2.571 3.343 0.043 2 0 "[ . 1]" 2
31 1 11 HIS O 1 15 CYS H 2.200 . 2.200 2.288 2.230 2.371 0.171 8 0 "[ . 1]" 2
32 1 11 HIS O 1 15 CYS N 3.300 2.200 3.300 3.211 3.138 3.270 . 0 0 "[ . 1]" 2
33 1 56 VAL O 1 59 VAL H 2.200 . 2.200 1.735 1.700 1.762 0.100 6 0 "[ . 1]" 2
34 1 56 VAL O 1 59 VAL N 3.300 2.200 3.300 2.423 2.389 2.469 . 0 0 "[ . 1]" 2
35 1 54 GLN O 1 61 CYS H 2.200 . 2.200 1.778 1.727 1.876 0.073 4 0 "[ . 1]" 2
36 1 54 GLN O 1 61 CYS N 3.300 2.200 3.300 2.649 2.484 2.758 . 0 0 "[ . 1]" 2
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