NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
517667 |
2y9t   |
17475 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2y9t
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 1006
_Distance_constraint_stats_list.Viol_count 332
_Distance_constraint_stats_list.Viol_total 209.770
_Distance_constraint_stats_list.Viol_max 0.163
_Distance_constraint_stats_list.Viol_rms 0.0061
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0005
_Distance_constraint_stats_list.Viol_average_violations_only 0.0316
_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 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 THR 0.253 0.050 14 0 "[ . 1 . 2]"
1 6 ASP 0.422 0.050 14 0 "[ . 1 . 2]"
1 7 CYS 0.169 0.048 18 0 "[ . 1 . 2]"
1 8 SER 1.134 0.078 12 0 "[ . 1 . 2]"
1 9 ILE 0.546 0.033 14 0 "[ . 1 . 2]"
1 10 VAL 0.034 0.034 6 0 "[ . 1 . 2]"
1 11 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 PHE 0.338 0.020 14 0 "[ . 1 . 2]"
1 13 LEU 0.019 0.019 6 0 "[ . 1 . 2]"
1 14 ALA 0.307 0.021 1 0 "[ . 1 . 2]"
1 15 ARG 0.307 0.021 1 0 "[ . 1 . 2]"
1 16 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 LEU 0.173 0.034 6 0 "[ . 1 . 2]"
1 23 ASP 0.061 0.014 7 0 "[ . 1 . 2]"
1 24 TYR 1.403 0.073 7 0 "[ . 1 . 2]"
1 25 PHE 0.023 0.013 5 0 "[ . 1 . 2]"
1 26 THR 0.048 0.013 17 0 "[ . 1 . 2]"
1 27 THR 0.048 0.013 17 0 "[ . 1 . 2]"
1 28 GLN 0.246 0.081 1 0 "[ . 1 . 2]"
1 29 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 LEU 3.475 0.163 9 0 "[ . 1 . 2]"
1 31 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 ILE 0.132 0.033 14 0 "[ . 1 . 2]"
1 34 TYR 1.500 0.078 12 0 "[ . 1 . 2]"
1 35 GLN 0.366 0.030 17 0 "[ . 1 . 2]"
1 36 ILE 2.868 0.163 9 0 "[ . 1 . 2]"
1 37 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 SER 0.264 0.029 18 0 "[ . 1 . 2]"
1 41 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 LEU 0.264 0.029 18 0 "[ . 1 . 2]"
1 45 ALA 0.001 0.001 17 0 "[ . 1 . 2]"
1 46 SER 0.355 0.031 14 0 "[ . 1 . 2]"
1 47 LEU 0.715 0.090 15 0 "[ . 1 . 2]"
1 48 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 ILE 0.351 0.036 9 0 "[ . 1 . 2]"
1 50 PRO 0.351 0.036 9 0 "[ . 1 . 2]"
1 51 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 GLN 0.008 0.008 8 0 "[ . 1 . 2]"
1 53 PHE 0.008 0.008 8 0 "[ . 1 . 2]"
1 54 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 HIS 0.264 0.022 12 0 "[ . 1 . 2]"
1 56 ALA 0.792 0.048 8 0 "[ . 1 . 2]"
1 57 ILE 0.857 0.066 16 0 "[ . 1 . 2]"
1 58 TRP 0.264 0.022 12 0 "[ . 1 . 2]"
1 59 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 ILE 0.019 0.004 11 0 "[ . 1 . 2]"
1 62 LEU 0.332 0.061 17 0 "[ . 1 . 2]"
1 63 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 HIS 0.019 0.004 11 0 "[ . 1 . 2]"
1 65 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 GLN 0.057 0.048 5 0 "[ . 1 . 2]"
1 67 LEU 0.129 0.072 5 0 "[ . 1 . 2]"
1 68 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 GLU 0.048 0.048 16 0 "[ . 1 . 2]"
1 70 PHE 0.048 0.048 16 0 "[ . 1 . 2]"
1 71 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 LEU 0.043 0.043 6 0 "[ . 1 . 2]"
1 77 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 SER 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 TYR H 1 3 TYR HA 3.000 . 3.500 2.801 2.273 2.948 . 0 0 "[ . 1 . 2]" 1
2 1 3 TYR H 1 3 TYR QD 5.000 . 6.000 2.742 2.180 3.539 . 0 0 "[ . 1 . 2]" 1
3 1 3 TYR H 1 3 TYR QE 5.000 . 6.000 4.757 3.931 5.276 . 0 0 "[ . 1 . 2]" 1
4 1 3 TYR HA 1 3 TYR QD 4.000 . 4.750 2.799 2.004 3.175 . 0 0 "[ . 1 . 2]" 1
5 1 3 TYR HA 1 3 TYR QE 5.000 . 6.000 4.527 4.130 4.794 . 0 0 "[ . 1 . 2]" 1
6 1 5 THR H 1 5 THR HA 3.000 . 3.500 2.805 2.274 2.945 . 0 0 "[ . 1 . 2]" 1
7 1 5 THR H 1 5 THR HB 4.000 . 4.750 3.477 2.547 3.872 . 0 0 "[ . 1 . 2]" 1
8 1 5 THR H 1 5 THR MG 4.000 . 4.750 3.352 1.929 3.962 . 0 0 "[ . 1 . 2]" 1
9 1 5 THR HA 1 5 THR HB 3.000 . 3.500 2.734 2.279 3.022 . 0 0 "[ . 1 . 2]" 1
10 1 6 ASP H 1 6 ASP HA 3.000 . 3.500 2.742 2.268 2.948 . 0 0 "[ . 1 . 2]" 1
11 1 9 ILE H 1 9 ILE HB 3.000 . 3.500 2.630 2.587 2.686 . 0 0 "[ . 1 . 2]" 1
12 1 9 ILE H 1 9 ILE MD 5.000 . 6.000 3.276 3.167 3.400 . 0 0 "[ . 1 . 2]" 1
13 1 9 ILE H 1 9 ILE QG 3.000 . 3.500 1.934 1.865 1.976 . 0 0 "[ . 1 . 2]" 1
14 1 9 ILE HA 1 9 ILE HB 3.000 . 3.500 3.025 3.022 3.029 . 0 0 "[ . 1 . 2]" 1
15 1 9 ILE HA 1 9 ILE MD 4.000 . 4.750 2.189 2.077 2.384 . 0 0 "[ . 1 . 2]" 1
16 1 9 ILE HA 1 9 ILE QG 3.000 . 3.500 2.920 2.863 2.969 . 0 0 "[ . 1 . 2]" 1
17 1 10 VAL H 1 10 VAL HA 3.000 . 3.500 2.816 2.810 2.828 . 0 0 "[ . 1 . 2]" 1
18 1 10 VAL H 1 10 VAL HB 3.000 . 3.500 2.411 2.340 2.500 . 0 0 "[ . 1 . 2]" 1
19 1 10 VAL H 1 10 VAL MG2 4.000 . 4.750 2.273 2.043 2.464 . 0 0 "[ . 1 . 2]" 1
20 1 10 VAL HA 1 10 VAL HB 3.000 . 3.500 3.019 3.012 3.023 . 0 0 "[ . 1 . 2]" 1
21 1 10 VAL HA 1 10 VAL MG1 3.000 . 3.500 2.437 2.393 2.494 . 0 0 "[ . 1 . 2]" 1
22 1 10 VAL HA 1 10 VAL MG2 3.000 . 3.500 2.328 2.156 2.443 . 0 0 "[ . 1 . 2]" 1
23 1 12 PHE H 1 12 PHE HB3 3.000 . 3.500 2.188 2.171 2.199 . 0 0 "[ . 1 . 2]" 1
24 1 12 PHE H 1 12 PHE HB2 3.000 . 3.500 2.841 2.821 2.885 . 0 0 "[ . 1 . 2]" 1
25 1 12 PHE HA 1 12 PHE QD 3.000 . 3.500 2.507 2.455 2.609 . 0 0 "[ . 1 . 2]" 1
26 1 12 PHE HA 1 12 PHE QE 5.000 . 6.000 4.766 4.732 4.805 . 0 0 "[ . 1 . 2]" 1
27 1 12 PHE HB3 1 12 PHE QD 3.000 . 3.500 2.256 2.239 2.268 . 0 0 "[ . 1 . 2]" 1
28 1 12 PHE HB2 1 12 PHE QD 3.000 . 3.500 2.699 2.640 2.721 . 0 0 "[ . 1 . 2]" 1
29 1 13 LEU H 1 13 LEU HA 3.000 . 3.500 2.858 2.849 2.862 . 0 0 "[ . 1 . 2]" 1
30 1 13 LEU H 1 13 LEU HB3 4.000 . 4.750 3.542 3.524 3.583 . 0 0 "[ . 1 . 2]" 1
31 1 13 LEU H 1 13 LEU HB2 3.000 . 3.500 2.274 2.237 2.389 . 0 0 "[ . 1 . 2]" 1
32 1 13 LEU H 1 13 LEU HG 3.000 . 3.500 2.787 2.529 2.869 . 0 0 "[ . 1 . 2]" 1
33 1 13 LEU H 1 13 LEU MD1 5.000 . 6.000 3.830 3.649 3.927 . 0 0 "[ . 1 . 2]" 1
34 1 13 LEU H 1 13 LEU MD2 5.000 . 6.000 3.678 3.307 3.871 . 0 0 "[ . 1 . 2]" 1
35 1 13 LEU HA 1 13 LEU HB3 3.000 . 3.500 2.595 2.522 2.625 . 0 0 "[ . 1 . 2]" 1
36 1 13 LEU HA 1 13 LEU HB2 3.000 . 3.500 3.000 2.990 3.015 . 0 0 "[ . 1 . 2]" 1
37 1 13 LEU HA 1 13 LEU HG 4.000 . 4.750 2.939 2.790 3.152 . 0 0 "[ . 1 . 2]" 1
38 1 13 LEU HA 1 13 LEU MD2 3.000 . 3.500 1.986 1.914 2.138 . 0 0 "[ . 1 . 2]" 1
39 1 13 LEU HB3 1 13 LEU HG 3.000 . 3.500 3.018 3.015 3.021 . 0 0 "[ . 1 . 2]" 1
40 1 13 LEU HB2 1 13 LEU HG 2.500 . 2.800 2.448 2.406 2.518 . 0 0 "[ . 1 . 2]" 1
41 1 13 LEU HB2 1 13 LEU MD1 3.000 . 3.500 2.283 2.196 2.420 . 0 0 "[ . 1 . 2]" 1
42 1 14 ALA H 1 14 ALA HA 3.000 . 3.500 2.781 2.776 2.793 . 0 0 "[ . 1 . 2]" 1
43 1 14 ALA H 1 14 ALA MB 3.000 . 3.500 2.166 2.105 2.235 . 0 0 "[ . 1 . 2]" 1
44 1 15 ARG H 1 15 ARG QB 3.000 . 3.500 2.143 2.053 2.255 . 0 0 "[ . 1 . 2]" 1
45 1 15 ARG H 1 15 ARG QG 4.000 . 4.750 3.715 3.002 4.050 . 0 0 "[ . 1 . 2]" 1
46 1 15 ARG HA 1 15 ARG QG 3.000 . 3.500 2.216 2.018 2.694 . 0 0 "[ . 1 . 2]" 1
47 1 15 ARG QB 1 15 ARG QD 3.000 . 3.500 2.150 1.923 2.597 . 0 0 "[ . 1 . 2]" 1
48 1 16 LEU H 1 16 LEU HB3 4.000 . 4.750 3.670 3.642 3.690 . 0 0 "[ . 1 . 2]" 1
49 1 16 LEU H 1 16 LEU HB2 3.000 . 3.500 2.639 2.488 2.753 . 0 0 "[ . 1 . 2]" 1
50 1 16 LEU H 1 16 LEU HG 3.000 . 3.500 2.314 2.108 2.618 . 0 0 "[ . 1 . 2]" 1
51 1 16 LEU H 1 16 LEU MD1 5.000 . 6.000 3.436 3.153 3.838 . 0 0 "[ . 1 . 2]" 1
52 1 16 LEU H 1 16 LEU MD2 5.000 . 6.000 3.579 3.277 3.985 . 0 0 "[ . 1 . 2]" 1
53 1 16 LEU HA 1 16 LEU HB3 3.000 . 3.500 2.386 2.337 2.461 . 0 0 "[ . 1 . 2]" 1
54 1 16 LEU HA 1 16 LEU HG 3.000 . 3.500 3.074 2.758 3.267 . 0 0 "[ . 1 . 2]" 1
55 1 16 LEU HA 1 16 LEU MD2 4.000 . 4.750 2.401 2.078 2.699 . 0 0 "[ . 1 . 2]" 1
56 1 16 LEU HB3 1 16 LEU HG 3.000 . 3.500 2.996 2.965 3.020 . 0 0 "[ . 1 . 2]" 1
57 1 16 LEU HB2 1 16 LEU HG 3.000 . 3.500 2.586 2.424 2.687 . 0 0 "[ . 1 . 2]" 1
58 1 18 CYS H 1 18 CYS HA 3.000 . 3.500 2.915 2.902 2.939 . 0 0 "[ . 1 . 2]" 1
59 1 18 CYS H 1 18 CYS QB 3.000 . 3.500 2.782 2.676 3.141 . 0 0 "[ . 1 . 2]" 1
60 1 21 CYS H 1 21 CYS QB 3.000 . 3.500 2.231 2.103 2.548 . 0 0 "[ . 1 . 2]" 1
61 1 22 LEU H 1 22 LEU HA 3.000 . 3.500 2.755 2.748 2.766 . 0 0 "[ . 1 . 2]" 1
62 1 22 LEU H 1 22 LEU HB3 3.000 . 3.500 3.069 3.035 3.090 . 0 0 "[ . 1 . 2]" 1
63 1 22 LEU H 1 22 LEU HB2 3.000 . 3.500 2.112 2.101 2.126 . 0 0 "[ . 1 . 2]" 1
64 1 22 LEU H 1 22 LEU HG 5.000 . 6.000 4.262 4.224 4.286 . 0 0 "[ . 1 . 2]" 1
65 1 22 LEU H 1 22 LEU MD1 5.000 . 6.000 3.481 3.414 3.554 . 0 0 "[ . 1 . 2]" 1
66 1 22 LEU H 1 22 LEU MD2 5.000 . 6.000 4.443 4.429 4.461 . 0 0 "[ . 1 . 2]" 1
67 1 22 LEU HA 1 22 LEU HB2 3.000 . 3.500 2.703 2.682 2.713 . 0 0 "[ . 1 . 2]" 1
68 1 22 LEU HA 1 22 LEU HG 4.000 . 4.750 2.217 2.174 2.242 . 0 0 "[ . 1 . 2]" 1
69 1 22 LEU HA 1 22 LEU MD1 3.000 . 3.500 2.784 2.715 2.860 . 0 0 "[ . 1 . 2]" 1
70 1 22 LEU HB3 1 22 LEU HG 3.000 . 3.500 2.759 2.737 2.782 . 0 0 "[ . 1 . 2]" 1
71 1 22 LEU HB3 1 22 LEU MD2 3.000 . 3.500 2.062 2.027 2.131 . 0 0 "[ . 1 . 2]" 1
72 1 22 LEU HB2 1 22 LEU MD1 3.000 . 3.500 2.145 2.114 2.166 . 0 0 "[ . 1 . 2]" 1
73 1 22 LEU HB2 1 22 LEU MD2 3.000 . 3.500 2.833 2.771 2.871 . 0 0 "[ . 1 . 2]" 1
74 1 23 ASP H 1 23 ASP QB 3.000 . 3.500 2.310 2.117 2.551 . 0 0 "[ . 1 . 2]" 1
75 1 24 TYR H 1 24 TYR HA 3.000 . 3.500 2.836 2.823 2.843 . 0 0 "[ . 1 . 2]" 1
76 1 24 TYR H 1 24 TYR HB3 3.000 . 3.500 3.570 3.565 3.573 0.073 7 0 "[ . 1 . 2]" 1
77 1 24 TYR H 1 24 TYR HB2 3.000 . 3.500 2.557 2.499 2.585 . 0 0 "[ . 1 . 2]" 1
78 1 24 TYR H 1 24 TYR QD 3.000 . 3.500 2.956 2.867 3.007 . 0 0 "[ . 1 . 2]" 1
79 1 24 TYR HA 1 24 TYR HB3 3.000 . 3.500 2.418 2.404 2.444 . 0 0 "[ . 1 . 2]" 1
80 1 24 TYR HA 1 24 TYR QD 3.000 . 3.500 2.369 2.301 2.438 . 0 0 "[ . 1 . 2]" 1
81 1 24 TYR HB3 1 24 TYR QD 3.000 . 3.500 2.648 2.607 2.675 . 0 0 "[ . 1 . 2]" 1
82 1 24 TYR HB2 1 24 TYR QD 3.000 . 3.500 2.277 2.275 2.279 . 0 0 "[ . 1 . 2]" 1
83 1 25 PHE H 1 25 PHE HB3 4.000 . 4.750 3.577 3.571 3.585 . 0 0 "[ . 1 . 2]" 1
84 1 25 PHE H 1 25 PHE HB2 3.000 . 3.500 2.346 2.331 2.370 . 0 0 "[ . 1 . 2]" 1
85 1 25 PHE H 1 25 PHE QD 3.000 . 3.500 3.046 2.983 3.087 . 0 0 "[ . 1 . 2]" 1
86 1 25 PHE H 1 25 PHE QE 5.000 . 6.000 4.717 4.686 4.742 . 0 0 "[ . 1 . 2]" 1
87 1 25 PHE HA 1 25 PHE HB3 3.000 . 3.500 2.547 2.532 2.558 . 0 0 "[ . 1 . 2]" 1
88 1 25 PHE HA 1 25 PHE HB2 3.000 . 3.500 3.019 3.016 3.021 . 0 0 "[ . 1 . 2]" 1
89 1 25 PHE HA 1 25 PHE QD 3.000 . 3.500 2.318 2.253 2.399 . 0 0 "[ . 1 . 2]" 1
90 1 25 PHE HA 1 25 PHE QE 5.000 . 6.000 4.357 4.326 4.394 . 0 0 "[ . 1 . 2]" 1
91 1 25 PHE HB3 1 25 PHE QD 3.000 . 3.500 2.616 2.592 2.638 . 0 0 "[ . 1 . 2]" 1
92 1 25 PHE HB2 1 25 PHE QD 3.000 . 3.500 2.262 2.257 2.267 . 0 0 "[ . 1 . 2]" 1
93 1 26 THR H 1 26 THR HA 3.000 . 3.500 2.801 2.792 2.807 . 0 0 "[ . 1 . 2]" 1
94 1 26 THR H 1 26 THR HB 4.000 . 4.750 3.558 3.532 3.582 . 0 0 "[ . 1 . 2]" 1
95 1 26 THR H 1 26 THR MG 4.000 . 4.750 2.540 2.346 2.700 . 0 0 "[ . 1 . 2]" 1
96 1 26 THR HA 1 26 THR HB 3.000 . 3.500 2.583 2.520 2.630 . 0 0 "[ . 1 . 2]" 1
97 1 26 THR HA 1 26 THR MG 3.000 . 3.500 2.253 2.146 2.357 . 0 0 "[ . 1 . 2]" 1
98 1 27 THR H 1 27 THR HA 3.000 . 3.500 2.782 2.775 2.790 . 0 0 "[ . 1 . 2]" 1
99 1 27 THR H 1 27 THR HB 4.000 . 4.750 3.548 3.475 3.586 . 0 0 "[ . 1 . 2]" 1
100 1 27 THR H 1 27 THR MG 4.000 . 4.750 2.592 2.320 2.959 . 0 0 "[ . 1 . 2]" 1
101 1 27 THR HA 1 27 THR HB 3.000 . 3.500 2.606 2.528 2.719 . 0 0 "[ . 1 . 2]" 1
102 1 27 THR HA 1 27 THR MG 3.000 . 3.500 2.250 2.031 2.376 . 0 0 "[ . 1 . 2]" 1
103 1 28 GLN H 1 28 GLN QB 3.000 . 3.500 2.453 2.366 2.728 . 0 0 "[ . 1 . 2]" 1
104 1 28 GLN H 1 28 GLN QG 4.000 . 4.750 3.683 2.129 4.109 . 0 0 "[ . 1 . 2]" 1
105 1 28 GLN QB 1 28 GLN QE 3.000 . 3.500 2.538 2.222 2.782 . 0 0 "[ . 1 . 2]" 1
106 1 30 LEU H 1 30 LEU HB3 4.000 . 4.750 3.714 3.634 3.798 . 0 0 "[ . 1 . 2]" 1
107 1 30 LEU H 1 30 LEU HB2 3.000 . 3.500 2.657 2.537 2.780 . 0 0 "[ . 1 . 2]" 1
108 1 30 LEU H 1 30 LEU HG 3.000 . 3.500 2.882 2.218 3.302 . 0 0 "[ . 1 . 2]" 1
109 1 30 LEU H 1 30 LEU MD1 5.000 . 6.000 2.675 2.341 2.953 . 0 0 "[ . 1 . 2]" 1
110 1 30 LEU H 1 30 LEU MD2 5.000 . 6.000 4.194 3.813 4.411 . 0 0 "[ . 1 . 2]" 1
111 1 30 LEU HA 1 30 LEU MD2 4.000 . 4.750 3.126 2.981 3.226 . 0 0 "[ . 1 . 2]" 1
112 1 30 LEU HB3 1 30 LEU MD1 3.000 . 3.500 2.946 2.890 2.973 . 0 0 "[ . 1 . 2]" 1
113 1 30 LEU HB2 1 30 LEU HG 3.000 . 3.500 2.866 2.811 2.891 . 0 0 "[ . 1 . 2]" 1
114 1 31 THR H 1 31 THR HA 3.000 . 3.500 2.947 2.945 2.949 . 0 0 "[ . 1 . 2]" 1
115 1 33 ILE H 1 33 ILE HB 3.000 . 3.500 2.412 2.312 2.734 . 0 0 "[ . 1 . 2]" 1
116 1 33 ILE H 1 33 ILE MG 4.000 . 4.750 2.359 2.064 2.530 . 0 0 "[ . 1 . 2]" 1
117 1 33 ILE H 1 33 ILE MD 5.000 . 6.000 4.355 4.331 4.380 . 0 0 "[ . 1 . 2]" 1
118 1 33 ILE H 1 33 ILE QG 4.000 . 4.750 3.936 3.887 3.992 . 0 0 "[ . 1 . 2]" 1
119 1 33 ILE HA 1 33 ILE HB 3.000 . 3.500 2.559 2.432 2.611 . 0 0 "[ . 1 . 2]" 1
120 1 35 GLN H 1 35 GLN HA 3.000 . 3.500 2.792 2.790 2.800 . 0 0 "[ . 1 . 2]" 1
121 1 36 ILE H 1 36 ILE HB 4.000 . 4.750 3.800 3.757 3.828 . 0 0 "[ . 1 . 2]" 1
122 1 36 ILE H 1 36 ILE MD 5.000 . 6.000 3.847 3.733 3.923 . 0 0 "[ . 1 . 2]" 1
123 1 36 ILE H 1 36 ILE QG 3.000 . 3.500 2.156 2.036 2.254 . 0 0 "[ . 1 . 2]" 1
124 1 36 ILE HA 1 36 ILE HB 3.000 . 3.500 2.432 2.396 2.464 . 0 0 "[ . 1 . 2]" 1
125 1 36 ILE HB 1 36 ILE MD 3.000 . 3.500 2.461 2.392 2.499 . 0 0 "[ . 1 . 2]" 1
126 1 37 GLU H 1 37 GLU HA 3.000 . 3.500 2.752 2.742 2.765 . 0 0 "[ . 1 . 2]" 1
127 1 37 GLU H 1 37 GLU QB 3.000 . 3.500 2.208 2.080 2.246 . 0 0 "[ . 1 . 2]" 1
128 1 37 GLU H 1 37 GLU QG 4.000 . 4.750 3.916 3.679 4.048 . 0 0 "[ . 1 . 2]" 1
129 1 38 HIS HA 1 38 HIS HD2 4.000 . 4.750 3.785 2.886 4.612 . 0 0 "[ . 1 . 2]" 1
130 1 38 HIS QB 1 38 HIS HD2 3.000 . 3.500 2.882 2.635 3.120 . 0 0 "[ . 1 . 2]" 1
131 1 39 TYR H 1 39 TYR HB3 4.000 . 4.750 3.367 3.361 3.374 . 0 0 "[ . 1 . 2]" 1
132 1 39 TYR H 1 39 TYR HB2 3.000 . 3.500 2.115 2.102 2.134 . 0 0 "[ . 1 . 2]" 1
133 1 39 TYR H 1 39 TYR QD 3.000 . 3.500 3.133 3.115 3.142 . 0 0 "[ . 1 . 2]" 1
134 1 39 TYR H 1 39 TYR QE 5.000 . 6.000 5.344 5.328 5.361 . 0 0 "[ . 1 . 2]" 1
135 1 39 TYR HA 1 39 TYR QD 4.000 . 4.750 2.167 2.094 2.327 . 0 0 "[ . 1 . 2]" 1
136 1 39 TYR HA 1 39 TYR QE 5.000 . 6.000 4.128 4.098 4.181 . 0 0 "[ . 1 . 2]" 1
137 1 39 TYR HB3 1 39 TYR QD 3.000 . 3.500 2.322 2.284 2.339 . 0 0 "[ . 1 . 2]" 1
138 1 39 TYR HB2 1 39 TYR QD 3.000 . 3.500 2.755 2.731 2.762 . 0 0 "[ . 1 . 2]" 1
139 1 41 MET H 1 41 MET QB 3.000 . 3.500 2.304 2.060 2.689 . 0 0 "[ . 1 . 2]" 1
140 1 41 MET H 1 41 MET QG 4.000 . 4.750 3.671 1.997 4.003 . 0 0 "[ . 1 . 2]" 1
141 1 41 MET HA 1 41 MET ME 5.000 . 6.000 2.818 1.984 4.044 . 0 0 "[ . 1 . 2]" 1
142 1 41 MET QB 1 41 MET ME 4.000 . 4.750 2.476 1.943 3.533 . 0 0 "[ . 1 . 2]" 1
143 1 41 MET ME 1 41 MET QG 3.000 . 3.500 2.340 2.066 2.537 . 0 0 "[ . 1 . 2]" 1
144 1 42 ASP H 1 42 ASP HA 3.000 . 3.500 2.835 2.830 2.842 . 0 0 "[ . 1 . 2]" 1
145 1 42 ASP H 1 42 ASP QB 3.000 . 3.500 2.199 2.061 2.489 . 0 0 "[ . 1 . 2]" 1
146 1 43 ASP H 1 43 ASP QB 3.000 . 3.500 2.558 2.537 2.574 . 0 0 "[ . 1 . 2]" 1
147 1 44 LEU H 1 44 LEU HA 3.000 . 3.500 2.790 2.772 2.804 . 0 0 "[ . 1 . 2]" 1
148 1 44 LEU H 1 44 LEU HB3 4.000 . 4.750 3.083 3.074 3.094 . 0 0 "[ . 1 . 2]" 1
149 1 44 LEU H 1 44 LEU HB2 3.000 . 3.500 2.039 2.028 2.049 . 0 0 "[ . 1 . 2]" 1
150 1 44 LEU H 1 44 LEU HG 4.000 . 4.750 3.824 3.796 3.846 . 0 0 "[ . 1 . 2]" 1
151 1 44 LEU H 1 44 LEU MD1 5.000 . 6.000 4.113 4.075 4.144 . 0 0 "[ . 1 . 2]" 1
152 1 44 LEU H 1 44 LEU MD2 5.000 . 6.000 4.132 4.103 4.159 . 0 0 "[ . 1 . 2]" 1
153 1 44 LEU HA 1 44 LEU HG 4.000 . 4.750 2.539 2.473 2.589 . 0 0 "[ . 1 . 2]" 1
154 1 44 LEU HA 1 44 LEU MD1 4.000 . 4.750 3.780 3.766 3.789 . 0 0 "[ . 1 . 2]" 1
155 1 44 LEU HA 1 44 LEU MD2 3.000 . 3.500 2.049 1.968 2.180 . 0 0 "[ . 1 . 2]" 1
156 1 44 LEU HB3 1 44 LEU MD1 3.000 . 3.500 2.266 2.213 2.328 . 0 0 "[ . 1 . 2]" 1
157 1 44 LEU HB2 1 44 LEU MD1 3.000 . 3.500 2.380 2.309 2.425 . 0 0 "[ . 1 . 2]" 1
158 1 45 ALA H 1 45 ALA HA 3.000 . 3.500 2.869 2.867 2.872 . 0 0 "[ . 1 . 2]" 1
159 1 45 ALA H 1 45 ALA MB 3.000 . 3.500 2.191 2.065 2.261 . 0 0 "[ . 1 . 2]" 1
160 1 46 SER H 1 46 SER HA 3.000 . 3.500 2.813 2.802 2.829 . 0 0 "[ . 1 . 2]" 1
161 1 46 SER H 1 46 SER QB 3.000 . 3.500 2.177 2.074 2.278 . 0 0 "[ . 1 . 2]" 1
162 1 47 LEU H 1 47 LEU HA 3.000 . 3.500 2.834 2.818 2.861 . 0 0 "[ . 1 . 2]" 1
163 1 47 LEU H 1 47 LEU HB3 4.000 . 4.750 3.530 3.507 3.561 . 0 0 "[ . 1 . 2]" 1
164 1 47 LEU H 1 47 LEU HB2 3.000 . 3.500 3.042 2.909 3.099 . 0 0 "[ . 1 . 2]" 1
165 1 47 LEU H 1 47 LEU HG 3.000 . 3.500 1.872 1.827 1.985 . 0 0 "[ . 1 . 2]" 1
166 1 47 LEU H 1 47 LEU MD1 5.000 . 6.000 3.565 3.537 3.634 . 0 0 "[ . 1 . 2]" 1
167 1 47 LEU H 1 47 LEU MD2 5.000 . 6.000 2.203 2.039 2.383 . 0 0 "[ . 1 . 2]" 1
168 1 47 LEU HA 1 47 LEU HB3 3.000 . 3.500 2.266 2.254 2.301 . 0 0 "[ . 1 . 2]" 1
169 1 47 LEU HA 1 47 LEU HG 4.000 . 4.750 3.602 3.553 3.619 . 0 0 "[ . 1 . 2]" 1
170 1 47 LEU HA 1 47 LEU MD2 3.000 . 3.500 2.420 2.269 2.528 . 0 0 "[ . 1 . 2]" 1
171 1 47 LEU HB2 1 47 LEU HG 3.000 . 3.500 2.439 2.379 2.466 . 0 0 "[ . 1 . 2]" 1
172 1 48 LYS H 1 48 LYS HA 3.000 . 3.500 2.317 2.274 2.332 . 0 0 "[ . 1 . 2]" 1
173 1 48 LYS H 1 48 LYS QB 3.000 . 3.500 3.162 3.131 3.176 . 0 0 "[ . 1 . 2]" 1
174 1 48 LYS H 1 48 LYS QG 4.000 . 4.750 4.143 3.860 4.234 . 0 0 "[ . 1 . 2]" 1
175 1 48 LYS HA 1 48 LYS QG 3.000 . 3.500 2.252 2.084 2.371 . 0 0 "[ . 1 . 2]" 1
176 1 48 LYS QB 1 48 LYS QD 3.000 . 3.500 2.088 1.931 2.260 . 0 0 "[ . 1 . 2]" 1
177 1 48 LYS QB 1 48 LYS QE 4.000 . 4.750 3.254 1.963 3.632 . 0 0 "[ . 1 . 2]" 1
178 1 49 ILE H 1 49 ILE HA 3.000 . 3.500 2.891 2.871 2.907 . 0 0 "[ . 1 . 2]" 1
179 1 49 ILE H 1 49 ILE HB 3.000 . 3.500 2.361 2.301 2.416 . 0 0 "[ . 1 . 2]" 1
180 1 49 ILE H 1 49 ILE MG 4.000 . 4.750 3.727 3.693 3.760 . 0 0 "[ . 1 . 2]" 1
181 1 49 ILE H 1 49 ILE MD 5.000 . 6.000 2.449 2.324 2.603 . 0 0 "[ . 1 . 2]" 1
182 1 49 ILE H 1 49 ILE QG 3.000 . 3.500 3.148 3.136 3.156 . 0 0 "[ . 1 . 2]" 1
183 1 49 ILE HA 1 49 ILE MD 4.000 . 4.750 3.447 3.430 3.479 . 0 0 "[ . 1 . 2]" 1
184 1 49 ILE QG 1 49 ILE MG 3.000 . 3.500 2.037 1.907 2.087 . 0 0 "[ . 1 . 2]" 1
185 1 51 GLU H 1 51 GLU QB 3.000 . 3.500 2.218 2.043 2.543 . 0 0 "[ . 1 . 2]" 1
186 1 51 GLU H 1 51 GLU QG 4.000 . 4.750 3.450 1.988 4.004 . 0 0 "[ . 1 . 2]" 1
187 1 51 GLU HA 1 51 GLU QG 3.000 . 3.500 2.272 2.038 2.522 . 0 0 "[ . 1 . 2]" 1
188 1 52 GLN H 1 52 GLN QG 4.000 . 4.750 3.299 1.957 4.069 . 0 0 "[ . 1 . 2]" 1
189 1 52 GLN HA 1 52 GLN QG 3.000 . 3.500 2.447 2.064 2.920 . 0 0 "[ . 1 . 2]" 1
190 1 53 PHE H 1 53 PHE HB3 4.000 . 4.750 3.715 3.653 3.773 . 0 0 "[ . 1 . 2]" 1
191 1 53 PHE H 1 53 PHE HB2 3.000 . 3.500 2.556 2.433 2.724 . 0 0 "[ . 1 . 2]" 1
192 1 53 PHE H 1 53 PHE QD 4.000 . 4.750 3.184 2.942 3.415 . 0 0 "[ . 1 . 2]" 1
193 1 53 PHE HA 1 53 PHE HB3 3.000 . 3.500 2.475 2.366 2.525 . 0 0 "[ . 1 . 2]" 1
194 1 53 PHE HA 1 53 PHE QD 3.000 . 3.500 2.466 2.259 2.639 . 0 0 "[ . 1 . 2]" 1
195 1 53 PHE HA 1 53 PHE QE 5.000 . 6.000 4.485 4.398 4.657 . 0 0 "[ . 1 . 2]" 1
196 1 53 PHE HB3 1 53 PHE QD 3.000 . 3.500 2.573 2.496 2.692 . 0 0 "[ . 1 . 2]" 1
197 1 53 PHE HB2 1 53 PHE QD 3.000 . 3.500 2.274 2.259 2.300 . 0 0 "[ . 1 . 2]" 1
198 1 54 ARG H 1 54 ARG QB 3.000 . 3.500 2.336 2.155 2.577 . 0 0 "[ . 1 . 2]" 1
199 1 54 ARG H 1 54 ARG QG 4.000 . 4.750 2.552 1.979 3.959 . 0 0 "[ . 1 . 2]" 1
200 1 54 ARG H 1 54 ARG QD 5.000 . 6.000 4.138 3.280 4.783 . 0 0 "[ . 1 . 2]" 1
201 1 54 ARG QB 1 54 ARG HE 3.000 . 3.500 2.296 1.900 3.133 . 0 0 "[ . 1 . 2]" 1
202 1 54 ARG QB 1 54 ARG QD 3.000 . 3.500 2.240 1.991 2.456 . 0 0 "[ . 1 . 2]" 1
203 1 55 HIS H 1 55 HIS QB 3.000 . 3.500 2.102 2.052 2.161 . 0 0 "[ . 1 . 2]" 1
204 1 55 HIS HA 1 55 HIS HD2 5.000 . 6.000 2.385 2.281 2.773 . 0 0 "[ . 1 . 2]" 1
205 1 55 HIS QB 1 55 HIS HD2 3.000 . 3.500 3.113 2.997 3.133 . 0 0 "[ . 1 . 2]" 1
206 1 56 ALA H 1 56 ALA HA 3.000 . 3.500 2.816 2.798 2.838 . 0 0 "[ . 1 . 2]" 1
207 1 56 ALA H 1 56 ALA MB 3.000 . 3.500 2.158 2.041 2.242 . 0 0 "[ . 1 . 2]" 1
208 1 57 ILE H 1 57 ILE HA 3.000 . 3.500 2.802 2.795 2.812 . 0 0 "[ . 1 . 2]" 1
209 1 57 ILE H 1 57 ILE HB 3.000 . 3.500 2.595 2.546 2.619 . 0 0 "[ . 1 . 2]" 1
210 1 57 ILE H 1 57 ILE MD 5.000 . 6.000 3.391 3.180 3.580 . 0 0 "[ . 1 . 2]" 1
211 1 57 ILE H 1 57 ILE QG 3.000 . 3.500 1.959 1.929 2.048 . 0 0 "[ . 1 . 2]" 1
212 1 57 ILE HA 1 57 ILE HB 3.000 . 3.500 3.024 3.022 3.026 . 0 0 "[ . 1 . 2]" 1
213 1 57 ILE HA 1 57 ILE MD 4.000 . 4.750 3.881 3.815 3.914 . 0 0 "[ . 1 . 2]" 1
214 1 57 ILE HA 1 57 ILE QG 3.000 . 3.500 2.469 2.398 2.504 . 0 0 "[ . 1 . 2]" 1
215 1 57 ILE HB 1 57 ILE MD 3.000 . 3.500 2.306 2.154 2.480 . 0 0 "[ . 1 . 2]" 1
216 1 57 ILE MD 1 57 ILE MG 3.000 . 3.500 2.074 1.734 2.307 0.066 16 0 "[ . 1 . 2]" 1
217 1 58 TRP H 1 58 TRP HB3 3.000 . 3.500 2.622 2.562 2.714 . 0 0 "[ . 1 . 2]" 1
218 1 58 TRP H 1 58 TRP HB2 3.000 . 3.500 2.454 2.374 2.510 . 0 0 "[ . 1 . 2]" 1
219 1 58 TRP H 1 58 TRP HE3 5.000 . 6.000 4.975 4.876 5.089 . 0 0 "[ . 1 . 2]" 1
220 1 58 TRP HA 1 58 TRP HB3 3.000 . 3.500 3.027 3.022 3.029 . 0 0 "[ . 1 . 2]" 1
221 1 58 TRP HA 1 58 TRP HB2 3.000 . 3.500 2.494 2.461 2.536 . 0 0 "[ . 1 . 2]" 1
222 1 58 TRP HA 1 58 TRP HD1 4.000 . 4.750 2.388 2.234 2.610 . 0 0 "[ . 1 . 2]" 1
223 1 58 TRP HA 1 58 TRP HE3 5.000 . 6.000 5.108 4.945 5.184 . 0 0 "[ . 1 . 2]" 1
224 1 58 TRP HB3 1 58 TRP HE3 3.000 . 3.500 2.427 2.401 2.477 . 0 0 "[ . 1 . 2]" 1
225 1 58 TRP HB2 1 58 TRP HE3 4.000 . 4.750 3.691 3.549 3.847 . 0 0 "[ . 1 . 2]" 1
226 1 59 LYS H 1 59 LYS QB 3.000 . 3.500 2.146 2.045 2.263 . 0 0 "[ . 1 . 2]" 1
227 1 59 LYS HA 1 59 LYS QG 3.000 . 3.500 2.265 2.028 2.586 . 0 0 "[ . 1 . 2]" 1
228 1 59 LYS HA 1 59 LYS QD 4.000 . 4.750 3.271 2.034 4.170 . 0 0 "[ . 1 . 2]" 1
229 1 59 LYS QB 1 59 LYS QD 3.000 . 3.500 2.118 1.955 2.344 . 0 0 "[ . 1 . 2]" 1
230 1 61 ILE H 1 61 ILE HA 3.000 . 3.500 2.826 2.805 2.838 . 0 0 "[ . 1 . 2]" 1
231 1 61 ILE H 1 61 ILE HB 3.000 . 3.500 2.611 2.578 2.651 . 0 0 "[ . 1 . 2]" 1
232 1 61 ILE H 1 61 ILE MD 5.000 . 6.000 3.164 2.865 3.722 . 0 0 "[ . 1 . 2]" 1
233 1 61 ILE H 1 61 ILE QG 3.000 . 3.500 1.995 1.971 2.099 . 0 0 "[ . 1 . 2]" 1
234 1 61 ILE HA 1 61 ILE MD 4.000 . 4.750 2.356 2.138 3.791 . 0 0 "[ . 1 . 2]" 1
235 1 61 ILE HA 1 61 ILE QG 3.000 . 3.500 2.911 2.395 3.044 . 0 0 "[ . 1 . 2]" 1
236 1 61 ILE QG 1 61 ILE MG 3.000 . 3.500 2.357 2.320 2.395 . 0 0 "[ . 1 . 2]" 1
237 1 62 LEU H 1 62 LEU HA 3.000 . 3.500 2.811 2.790 2.832 . 0 0 "[ . 1 . 2]" 1
238 1 62 LEU H 1 62 LEU HB3 3.000 . 3.500 3.517 3.502 3.561 0.061 17 0 "[ . 1 . 2]" 1
239 1 62 LEU H 1 62 LEU HB2 3.000 . 3.500 2.246 2.202 2.503 . 0 0 "[ . 1 . 2]" 1
240 1 62 LEU H 1 62 LEU HG 5.000 . 6.000 2.769 2.149 2.911 . 0 0 "[ . 1 . 2]" 1
241 1 62 LEU H 1 62 LEU MD1 5.000 . 6.000 3.469 3.158 3.738 . 0 0 "[ . 1 . 2]" 1
242 1 62 LEU H 1 62 LEU MD2 5.000 . 6.000 3.929 3.547 4.124 . 0 0 "[ . 1 . 2]" 1
243 1 62 LEU HA 1 62 LEU HB3 3.000 . 3.500 2.618 2.462 2.664 . 0 0 "[ . 1 . 2]" 1
244 1 62 LEU HA 1 62 LEU HG 4.000 . 4.750 2.655 2.468 2.883 . 0 0 "[ . 1 . 2]" 1
245 1 62 LEU HA 1 62 LEU MD2 4.000 . 4.750 2.246 1.968 2.512 . 0 0 "[ . 1 . 2]" 1
246 1 63 ASP H 1 63 ASP QB 3.000 . 3.500 2.161 2.070 2.378 . 0 0 "[ . 1 . 2]" 1
247 1 64 HIS H 1 64 HIS HB3 3.000 . 3.500 2.716 2.570 2.875 . 0 0 "[ . 1 . 2]" 1
248 1 64 HIS H 1 64 HIS HB2 3.000 . 3.500 2.380 2.270 2.525 . 0 0 "[ . 1 . 2]" 1
249 1 64 HIS HA 1 64 HIS HB2 3.000 . 3.500 2.564 2.489 2.662 . 0 0 "[ . 1 . 2]" 1
250 1 64 HIS HA 1 64 HIS HD2 5.000 . 6.000 4.546 4.066 4.782 . 0 0 "[ . 1 . 2]" 1
251 1 64 HIS HB3 1 64 HIS HD2 4.000 . 4.750 2.729 2.692 2.830 . 0 0 "[ . 1 . 2]" 1
252 1 64 HIS HB2 1 64 HIS HD2 4.000 . 4.750 3.630 3.315 3.889 . 0 0 "[ . 1 . 2]" 1
253 1 65 ARG H 1 65 ARG QB 3.000 . 3.500 2.164 2.040 2.273 . 0 0 "[ . 1 . 2]" 1
254 1 65 ARG H 1 65 ARG QG 4.000 . 4.750 3.538 2.701 3.990 . 0 0 "[ . 1 . 2]" 1
255 1 65 ARG HA 1 65 ARG QD 4.000 . 4.750 3.966 3.560 4.189 . 0 0 "[ . 1 . 2]" 1
256 1 65 ARG QB 1 65 ARG QD 3.000 . 3.500 2.147 1.952 2.335 . 0 0 "[ . 1 . 2]" 1
257 1 66 GLN H 1 66 GLN HA 3.000 . 3.500 2.826 2.787 2.884 . 0 0 "[ . 1 . 2]" 1
258 1 66 GLN H 1 66 GLN QB 3.000 . 3.500 2.356 2.156 2.544 . 0 0 "[ . 1 . 2]" 1
259 1 66 GLN H 1 66 GLN QG 3.000 . 3.500 2.479 1.985 2.925 . 0 0 "[ . 1 . 2]" 1
260 1 66 GLN QB 1 66 GLN QE 3.000 . 3.500 2.383 1.994 2.688 . 0 0 "[ . 1 . 2]" 1
261 1 67 LEU H 1 67 LEU HA 3.000 . 3.500 2.819 2.779 2.891 . 0 0 "[ . 1 . 2]" 1
262 1 67 LEU H 1 67 LEU HG 3.000 . 3.500 2.661 1.915 3.354 . 0 0 "[ . 1 . 2]" 1
263 1 67 LEU H 1 67 LEU MD1 5.000 . 6.000 3.499 3.106 3.744 . 0 0 "[ . 1 . 2]" 1
264 1 67 LEU H 1 67 LEU MD2 5.000 . 6.000 3.776 2.891 4.248 . 0 0 "[ . 1 . 2]" 1
265 1 67 LEU H 1 67 LEU QB 3.000 . 3.500 2.295 2.064 2.629 . 0 0 "[ . 1 . 2]" 1
266 1 67 LEU HA 1 67 LEU HG 3.000 . 3.500 2.773 2.370 3.572 0.072 5 0 "[ . 1 . 2]" 1
267 1 67 LEU HA 1 67 LEU MD1 4.000 . 4.750 3.820 3.718 3.952 . 0 0 "[ . 1 . 2]" 1
268 1 67 LEU HA 1 67 LEU MD2 4.000 . 4.750 2.326 1.970 3.959 . 0 0 "[ . 1 . 2]" 1
269 1 67 LEU QB 1 67 LEU HG 2.500 . 2.800 2.431 2.330 2.497 . 0 0 "[ . 1 . 2]" 1
270 1 68 HIS HA 1 68 HIS HD2 5.000 . 6.000 3.758 2.040 4.759 . 0 0 "[ . 1 . 2]" 1
271 1 69 GLU H 1 69 GLU QB 3.000 . 3.500 2.568 2.053 3.103 . 0 0 "[ . 1 . 2]" 1
272 1 69 GLU H 1 69 GLU QG 4.000 . 4.750 3.576 2.291 4.200 . 0 0 "[ . 1 . 2]" 1
273 1 69 GLU HA 1 69 GLU QG 3.000 . 3.500 2.274 2.055 2.672 . 0 0 "[ . 1 . 2]" 1
274 1 70 PHE H 1 70 PHE QB 3.000 . 3.500 2.708 2.043 3.122 . 0 0 "[ . 1 . 2]" 1
275 1 70 PHE H 1 70 PHE QD 5.000 . 6.000 3.021 2.080 4.436 . 0 0 "[ . 1 . 2]" 1
276 1 70 PHE HA 1 70 PHE QD 4.000 . 4.750 3.201 2.249 3.729 . 0 0 "[ . 1 . 2]" 1
277 1 71 SER H 1 71 SER HA 3.000 . 3.500 2.849 2.274 2.947 . 0 0 "[ . 1 . 2]" 1
278 1 72 SER H 1 72 SER HA 3.000 . 3.500 2.813 2.271 2.948 . 0 0 "[ . 1 . 2]" 1
279 1 75 HIS QB 1 75 HIS HD2 3.000 . 3.500 2.715 2.625 3.069 . 0 0 "[ . 1 . 2]" 1
280 1 76 LEU H 1 76 LEU HG 5.000 . 6.000 3.676 2.034 4.627 . 0 0 "[ . 1 . 2]" 1
281 1 76 LEU HA 1 76 LEU HG 3.000 . 3.500 2.636 2.107 3.543 0.043 6 0 "[ . 1 . 2]" 1
282 1 77 LEU H 1 77 LEU HG 4.000 . 4.750 3.677 2.061 4.696 . 0 0 "[ . 1 . 2]" 1
283 1 77 LEU H 1 77 LEU MD1 5.000 . 6.000 3.843 2.387 4.874 . 0 0 "[ . 1 . 2]" 1
284 1 77 LEU H 1 77 LEU MD2 5.000 . 6.000 3.011 1.901 4.545 . 0 0 "[ . 1 . 2]" 1
285 1 77 LEU HA 1 77 LEU HG 4.000 . 4.750 3.343 2.368 3.707 . 0 0 "[ . 1 . 2]" 1
286 1 77 LEU QB 1 77 LEU HG 2.500 . 2.800 2.335 2.170 2.528 . 0 0 "[ . 1 . 2]" 1
287 1 77 LEU QB 1 77 LEU MD2 3.000 . 3.500 2.160 1.929 2.358 . 0 0 "[ . 1 . 2]" 1
288 1 79 THR H 1 79 THR HB 4.000 . 4.750 3.482 2.664 4.029 . 0 0 "[ . 1 . 2]" 1
289 1 79 THR H 1 79 THR MG 4.000 . 4.750 3.098 2.182 3.955 . 0 0 "[ . 1 . 2]" 1
290 1 2 SER H 1 3 TYR H 5.000 . 6.000 3.565 2.034 4.590 . 0 0 "[ . 1 . 2]" 1
291 1 2 SER HA 1 3 TYR H 4.000 . 4.750 2.530 2.147 3.570 . 0 0 "[ . 1 . 2]" 1
292 1 2 SER QB 1 3 TYR H 4.000 . 4.750 3.370 1.988 4.025 . 0 0 "[ . 1 . 2]" 1
293 1 3 TYR HA 1 4 PRO QD 4.000 . 4.750 2.402 2.050 3.531 . 0 0 "[ . 1 . 2]" 1
294 1 3 TYR QB 1 4 PRO QD 3.000 . 3.500 2.028 1.814 2.332 . 0 0 "[ . 1 . 2]" 1
295 1 3 TYR QD 1 4 PRO QD 5.000 . 6.000 2.766 1.869 3.742 . 0 0 "[ . 1 . 2]" 1
296 1 4 PRO HA 1 5 THR H 4.000 . 4.750 2.188 2.142 2.279 . 0 0 "[ . 1 . 2]" 1
297 1 4 PRO QB 1 5 THR H 5.000 . 6.000 3.189 2.847 3.548 . 0 0 "[ . 1 . 2]" 1
298 1 4 PRO QG 1 5 THR H 5.000 . 6.000 4.610 4.385 4.793 . 0 0 "[ . 1 . 2]" 1
299 1 5 THR HA 1 6 ASP H 3.000 . 3.500 2.996 2.131 3.548 0.048 9 0 "[ . 1 . 2]" 1
300 1 5 THR HB 1 6 ASP H 3.000 . 3.500 2.942 2.052 3.550 0.050 14 0 "[ . 1 . 2]" 1
301 1 6 ASP HA 1 7 CYS H 3.000 . 3.500 2.622 2.176 3.548 0.048 18 0 "[ . 1 . 2]" 1
302 1 6 ASP QB 1 7 CYS H 5.000 . 6.000 2.393 1.935 3.181 . 0 0 "[ . 1 . 2]" 1
303 1 7 CYS H 1 8 SER H 4.000 . 4.750 4.475 4.383 4.587 . 0 0 "[ . 1 . 2]" 1
304 1 7 CYS HA 1 8 SER H 4.000 . 4.750 2.141 2.114 2.189 . 0 0 "[ . 1 . 2]" 1
305 1 7 CYS QB 1 8 SER H 4.000 . 4.750 3.353 3.037 3.848 . 0 0 "[ . 1 . 2]" 1
306 1 8 SER HA 1 9 ILE H 3.000 . 3.500 2.324 2.297 2.373 . 0 0 "[ . 1 . 2]" 1
307 1 8 SER QB 1 9 ILE H 3.000 . 3.500 2.640 2.558 2.711 . 0 0 "[ . 1 . 2]" 1
308 1 9 ILE HA 1 10 VAL H 4.000 . 4.750 3.474 3.461 3.482 . 0 0 "[ . 1 . 2]" 1
309 1 9 ILE HB 1 10 VAL H 3.000 . 3.500 2.887 2.844 2.944 . 0 0 "[ . 1 . 2]" 1
310 1 9 ILE MG 1 10 VAL H 5.000 . 6.000 3.814 3.776 3.915 . 0 0 "[ . 1 . 2]" 1
311 1 9 ILE MG 1 10 VAL HA 5.000 . 6.000 3.881 3.769 4.011 . 0 0 "[ . 1 . 2]" 1
312 1 9 ILE MG 1 10 VAL MG2 5.000 . 6.000 4.084 3.993 4.162 . 0 0 "[ . 1 . 2]" 1
313 1 9 ILE QG 1 10 VAL H 4.000 . 4.750 3.909 3.849 3.957 . 0 0 "[ . 1 . 2]" 1
314 1 10 VAL H 1 11 SER H 4.000 . 4.750 2.733 2.706 2.748 . 0 0 "[ . 1 . 2]" 1
315 1 10 VAL HA 1 11 SER H 4.000 . 4.750 3.569 3.564 3.571 . 0 0 "[ . 1 . 2]" 1
316 1 10 VAL HB 1 11 SER H 3.000 . 3.500 2.461 2.411 2.515 . 0 0 "[ . 1 . 2]" 1
317 1 10 VAL MG1 1 11 SER H 4.000 . 4.750 3.196 3.077 3.363 . 0 0 "[ . 1 . 2]" 1
318 1 10 VAL MG1 1 11 SER HA 5.000 . 6.000 3.441 3.308 3.586 . 0 0 "[ . 1 . 2]" 1
319 1 10 VAL MG2 1 11 SER H 5.000 . 6.000 3.858 3.756 3.930 . 0 0 "[ . 1 . 2]" 1
320 1 11 SER H 1 12 PHE H 3.000 . 3.500 2.366 2.345 2.398 . 0 0 "[ . 1 . 2]" 1
321 1 11 SER HA 1 12 PHE H 4.000 . 4.750 3.490 3.471 3.505 . 0 0 "[ . 1 . 2]" 1
322 1 11 SER QB 1 12 PHE H 4.000 . 4.750 2.836 2.634 3.440 . 0 0 "[ . 1 . 2]" 1
323 1 12 PHE H 1 13 LEU H 4.000 . 4.750 2.719 2.666 2.767 . 0 0 "[ . 1 . 2]" 1
324 1 12 PHE HA 1 13 LEU H 5.000 . 6.000 3.554 3.547 3.563 . 0 0 "[ . 1 . 2]" 1
325 1 12 PHE HB3 1 13 LEU H 4.000 . 4.750 2.669 2.597 2.724 . 0 0 "[ . 1 . 2]" 1
326 1 12 PHE HB2 1 13 LEU H 4.000 . 4.750 3.995 3.946 4.021 . 0 0 "[ . 1 . 2]" 1
327 1 12 PHE QD 1 13 LEU H 5.000 . 6.000 3.545 3.251 3.641 . 0 0 "[ . 1 . 2]" 1
328 1 12 PHE QD 1 13 LEU HG 4.000 . 4.750 3.077 2.613 3.247 . 0 0 "[ . 1 . 2]" 1
329 1 12 PHE QD 1 13 LEU MD1 5.000 . 6.000 4.246 3.956 4.394 . 0 0 "[ . 1 . 2]" 1
330 1 12 PHE QD 1 13 LEU MD2 5.000 . 6.000 3.689 3.175 3.979 . 0 0 "[ . 1 . 2]" 1
331 1 12 PHE QE 1 13 LEU H 5.000 . 6.000 5.089 4.921 5.153 . 0 0 "[ . 1 . 2]" 1
332 1 12 PHE QE 1 13 LEU HG 4.000 . 4.750 3.793 3.448 3.981 . 0 0 "[ . 1 . 2]" 1
333 1 12 PHE QE 1 13 LEU MD2 4.000 . 4.750 3.287 2.691 3.527 . 0 0 "[ . 1 . 2]" 1
334 1 13 LEU H 1 14 ALA H 3.000 . 3.500 2.510 2.486 2.555 . 0 0 "[ . 1 . 2]" 1
335 1 13 LEU HA 1 14 ALA H 4.000 . 4.750 3.530 3.523 3.541 . 0 0 "[ . 1 . 2]" 1
336 1 13 LEU HB3 1 14 ALA H 5.000 . 6.000 3.451 3.377 3.621 . 0 0 "[ . 1 . 2]" 1
337 1 13 LEU HB2 1 14 ALA H 3.000 . 3.500 2.730 2.681 2.778 . 0 0 "[ . 1 . 2]" 1
338 1 13 LEU MD1 1 14 ALA H 5.000 . 6.000 4.623 4.556 4.677 . 0 0 "[ . 1 . 2]" 1
339 1 13 LEU MD2 1 14 ALA H 5.000 . 6.000 4.649 4.594 4.703 . 0 0 "[ . 1 . 2]" 1
340 1 14 ALA HA 1 15 ARG H 3.000 . 3.500 3.515 3.505 3.521 0.021 1 0 "[ . 1 . 2]" 1
341 1 14 ALA MB 1 15 ARG H 3.000 . 3.500 2.674 2.584 2.740 . 0 0 "[ . 1 . 2]" 1
342 1 15 ARG H 1 16 LEU H 3.000 . 3.500 2.563 2.504 2.611 . 0 0 "[ . 1 . 2]" 1
343 1 15 ARG HA 1 16 LEU H 4.000 . 4.750 3.482 3.472 3.491 . 0 0 "[ . 1 . 2]" 1
344 1 15 ARG QB 1 16 LEU H 4.000 . 4.750 2.879 2.811 2.952 . 0 0 "[ . 1 . 2]" 1
345 1 15 ARG QG 1 16 LEU H 5.000 . 6.000 4.371 3.957 4.682 . 0 0 "[ . 1 . 2]" 1
346 1 16 LEU H 1 17 GLY H 3.000 . 3.500 2.216 2.150 2.268 . 0 0 "[ . 1 . 2]" 1
347 1 16 LEU HA 1 17 GLY H 4.000 . 4.750 3.424 3.422 3.426 . 0 0 "[ . 1 . 2]" 1
348 1 16 LEU HB3 1 17 GLY H 4.000 . 4.750 4.178 4.072 4.248 . 0 0 "[ . 1 . 2]" 1
349 1 16 LEU HB2 1 17 GLY H 4.000 . 4.750 3.165 3.151 3.185 . 0 0 "[ . 1 . 2]" 1
350 1 16 LEU HG 1 17 GLY H 4.000 . 4.750 4.263 4.074 4.527 . 0 0 "[ . 1 . 2]" 1
351 1 17 GLY H 1 18 CYS H 3.000 . 3.500 2.449 2.321 2.500 . 0 0 "[ . 1 . 2]" 1
352 1 17 GLY QA 1 18 CYS H 4.000 . 4.750 2.682 2.620 2.860 . 0 0 "[ . 1 . 2]" 1
353 1 18 CYS H 1 19 SER H 4.000 . 4.750 2.535 2.418 2.862 . 0 0 "[ . 1 . 2]" 1
354 1 18 CYS HA 1 19 SER H 3.000 . 3.500 2.751 2.667 2.801 . 0 0 "[ . 1 . 2]" 1
355 1 18 CYS QB 1 19 SER H 5.000 . 6.000 3.891 3.857 4.031 . 0 0 "[ . 1 . 2]" 1
356 1 21 CYS H 1 22 LEU H 3.000 . 3.500 2.558 2.491 2.681 . 0 0 "[ . 1 . 2]" 1
357 1 22 LEU H 1 23 ASP H 4.000 . 4.750 2.829 2.787 2.852 . 0 0 "[ . 1 . 2]" 1
358 1 22 LEU HA 1 23 ASP H 5.000 . 6.000 3.526 3.515 3.532 . 0 0 "[ . 1 . 2]" 1
359 1 22 LEU HB3 1 23 ASP H 3.000 . 3.500 2.803 2.766 2.837 . 0 0 "[ . 1 . 2]" 1
360 1 22 LEU HB2 1 23 ASP H 4.000 . 4.750 3.530 3.497 3.572 . 0 0 "[ . 1 . 2]" 1
361 1 22 LEU HG 1 23 ASP H 4.000 . 4.750 4.743 4.709 4.764 0.014 7 0 "[ . 1 . 2]" 1
362 1 22 LEU HG 1 23 ASP HA 5.000 . 6.000 5.312 5.229 5.375 . 0 0 "[ . 1 . 2]" 1
363 1 22 LEU MD1 1 23 ASP H 5.000 . 6.000 4.916 4.891 4.938 . 0 0 "[ . 1 . 2]" 1
364 1 22 LEU MD2 1 23 ASP H 5.000 . 6.000 4.308 4.240 4.380 . 0 0 "[ . 1 . 2]" 1
365 1 23 ASP H 1 24 TYR H 4.000 . 4.750 2.781 2.766 2.809 . 0 0 "[ . 1 . 2]" 1
366 1 23 ASP HA 1 24 TYR H 5.000 . 6.000 3.518 3.512 3.531 . 0 0 "[ . 1 . 2]" 1
367 1 23 ASP QB 1 24 TYR H 3.000 . 3.500 2.721 2.654 2.808 . 0 0 "[ . 1 . 2]" 1
368 1 24 TYR H 1 25 PHE H 3.000 . 3.500 2.532 2.508 2.572 . 0 0 "[ . 1 . 2]" 1
369 1 24 TYR HA 1 25 PHE H 4.000 . 4.750 3.513 3.506 3.517 . 0 0 "[ . 1 . 2]" 1
370 1 24 TYR HB3 1 25 PHE H 4.000 . 4.750 3.884 3.843 3.912 . 0 0 "[ . 1 . 2]" 1
371 1 24 TYR HB2 1 25 PHE H 4.000 . 4.750 2.764 2.738 2.785 . 0 0 "[ . 1 . 2]" 1
372 1 24 TYR HB2 1 25 PHE QD 4.000 . 4.750 4.198 4.148 4.238 . 0 0 "[ . 1 . 2]" 1
373 1 24 TYR QD 1 25 PHE H 4.000 . 4.750 4.215 4.152 4.243 . 0 0 "[ . 1 . 2]" 1
374 1 25 PHE H 1 26 THR H 3.000 . 3.500 2.561 2.546 2.570 . 0 0 "[ . 1 . 2]" 1
375 1 25 PHE HA 1 26 THR H 4.000 . 4.750 3.549 3.542 3.553 . 0 0 "[ . 1 . 2]" 1
376 1 25 PHE HB3 1 26 THR H 3.000 . 3.500 3.376 3.354 3.419 . 0 0 "[ . 1 . 2]" 1
377 1 25 PHE HB2 1 26 THR H 3.000 . 3.500 2.494 2.487 2.507 . 0 0 "[ . 1 . 2]" 1
378 1 25 PHE HB2 1 26 THR MG 5.000 . 6.000 3.613 3.464 3.779 . 0 0 "[ . 1 . 2]" 1
379 1 25 PHE QD 1 26 THR H 4.000 . 4.750 4.254 4.239 4.266 . 0 0 "[ . 1 . 2]" 1
380 1 26 THR H 1 27 THR H 3.000 . 3.500 2.694 2.656 2.744 . 0 0 "[ . 1 . 2]" 1
381 1 26 THR HA 1 27 THR H 4.000 . 4.750 3.529 3.512 3.543 . 0 0 "[ . 1 . 2]" 1
382 1 26 THR HB 1 27 THR H 3.000 . 3.500 3.488 3.429 3.513 0.013 17 0 "[ . 1 . 2]" 1
383 1 26 THR MG 1 27 THR H 5.000 . 6.000 4.055 3.926 4.164 . 0 0 "[ . 1 . 2]" 1
384 1 27 THR H 1 28 GLN H 3.000 . 3.500 2.733 2.707 2.764 . 0 0 "[ . 1 . 2]" 1
385 1 27 THR HA 1 28 GLN H 4.000 . 4.750 3.449 3.436 3.468 . 0 0 "[ . 1 . 2]" 1
386 1 27 THR HB 1 28 GLN H 4.000 . 4.750 3.825 3.616 3.966 . 0 0 "[ . 1 . 2]" 1
387 1 27 THR MG 1 28 GLN H 5.000 . 6.000 4.258 4.140 4.351 . 0 0 "[ . 1 . 2]" 1
388 1 28 GLN H 1 29 GLY H 3.000 . 3.500 2.095 2.056 2.155 . 0 0 "[ . 1 . 2]" 1
389 1 28 GLN HA 1 29 GLY H 4.000 . 4.750 3.393 3.387 3.396 . 0 0 "[ . 1 . 2]" 1
390 1 28 GLN QB 1 29 GLY H 3.000 . 3.500 3.150 3.143 3.165 . 0 0 "[ . 1 . 2]" 1
391 1 28 GLN QG 1 29 GLY H 4.000 . 4.750 4.116 3.845 4.238 . 0 0 "[ . 1 . 2]" 1
392 1 29 GLY H 1 30 LEU H 3.000 . 3.500 2.149 2.095 2.232 . 0 0 "[ . 1 . 2]" 1
393 1 29 GLY QA 1 30 LEU H 3.000 . 3.500 2.865 2.813 2.940 . 0 0 "[ . 1 . 2]" 1
394 1 30 LEU H 1 31 THR H 5.000 . 6.000 4.279 4.193 4.374 . 0 0 "[ . 1 . 2]" 1
395 1 30 LEU HA 1 31 THR H 3.000 . 3.500 2.150 2.141 2.158 . 0 0 "[ . 1 . 2]" 1
396 1 30 LEU HB3 1 31 THR H 5.000 . 6.000 3.597 3.480 3.651 . 0 0 "[ . 1 . 2]" 1
397 1 30 LEU HB2 1 31 THR H 5.000 . 6.000 4.266 4.172 4.377 . 0 0 "[ . 1 . 2]" 1
398 1 30 LEU HG 1 31 THR H 5.000 . 6.000 4.761 4.602 4.955 . 0 0 "[ . 1 . 2]" 1
399 1 30 LEU MD2 1 31 THR H 5.000 . 6.000 4.555 4.443 4.734 . 0 0 "[ . 1 . 2]" 1
400 1 31 THR H 1 32 THR H 3.000 . 3.500 1.944 1.880 2.030 . 0 0 "[ . 1 . 2]" 1
401 1 31 THR HA 1 32 THR H 4.000 . 4.750 3.482 3.454 3.518 . 0 0 "[ . 1 . 2]" 1
402 1 31 THR HB 1 32 THR H 4.000 . 4.750 3.601 2.921 4.036 . 0 0 "[ . 1 . 2]" 1
403 1 31 THR MG 1 32 THR H 5.000 . 6.000 4.103 3.803 4.314 . 0 0 "[ . 1 . 2]" 1
404 1 32 THR H 1 33 ILE H 4.000 . 4.750 4.546 4.527 4.572 . 0 0 "[ . 1 . 2]" 1
405 1 32 THR HA 1 33 ILE H 3.000 . 3.500 2.273 2.235 2.316 . 0 0 "[ . 1 . 2]" 1
406 1 32 THR HA 1 33 ILE HA 5.000 . 6.000 4.325 4.319 4.333 . 0 0 "[ . 1 . 2]" 1
407 1 32 THR HA 1 33 ILE MG 5.000 . 6.000 4.266 3.977 4.438 . 0 0 "[ . 1 . 2]" 1
408 1 32 THR HB 1 33 ILE H 4.000 . 4.750 2.848 2.722 2.986 . 0 0 "[ . 1 . 2]" 1
409 1 32 THR MG 1 33 ILE H 5.000 . 6.000 4.100 3.995 4.178 . 0 0 "[ . 1 . 2]" 1
410 1 33 ILE H 1 34 TYR H 4.000 . 4.750 2.529 2.336 2.583 . 0 0 "[ . 1 . 2]" 1
411 1 33 ILE HA 1 34 TYR H 4.000 . 4.750 3.502 3.463 3.518 . 0 0 "[ . 1 . 2]" 1
412 1 33 ILE MG 1 34 TYR H 5.000 . 6.000 2.051 1.927 2.135 . 0 0 "[ . 1 . 2]" 1
413 1 33 ILE MG 1 34 TYR HA 5.000 . 6.000 2.897 2.787 3.399 . 0 0 "[ . 1 . 2]" 1
414 1 33 ILE MG 1 34 TYR QD 5.000 . 6.000 3.152 2.720 3.472 . 0 0 "[ . 1 . 2]" 1
415 1 33 ILE MG 1 34 TYR QE 5.000 . 6.000 3.766 3.346 4.209 . 0 0 "[ . 1 . 2]" 1
416 1 33 ILE MD 1 34 TYR HA 5.000 . 6.000 4.978 4.815 5.009 . 0 0 "[ . 1 . 2]" 1
417 1 34 TYR H 1 35 GLN H 3.000 . 3.500 2.721 2.632 2.777 . 0 0 "[ . 1 . 2]" 1
418 1 34 TYR HA 1 35 GLN H 3.000 . 3.500 3.518 3.507 3.530 0.030 17 0 "[ . 1 . 2]" 1
419 1 34 TYR QB 1 35 GLN H 4.000 . 4.750 2.711 2.628 2.777 . 0 0 "[ . 1 . 2]" 1
420 1 34 TYR QD 1 35 GLN H 5.000 . 6.000 4.520 4.343 4.586 . 0 0 "[ . 1 . 2]" 1
421 1 35 GLN H 1 36 ILE H 3.000 . 3.500 2.692 2.642 2.707 . 0 0 "[ . 1 . 2]" 1
422 1 35 GLN HA 1 36 ILE H 4.000 . 4.750 3.453 3.443 3.474 . 0 0 "[ . 1 . 2]" 1
423 1 35 GLN QB 1 36 ILE H 4.000 . 4.750 3.023 2.857 3.066 . 0 0 "[ . 1 . 2]" 1
424 1 35 GLN QB 1 36 ILE MG 5.000 . 6.000 2.698 2.536 2.917 . 0 0 "[ . 1 . 2]" 1
425 1 36 ILE H 1 37 GLU H 3.000 . 3.500 2.259 2.216 2.378 . 0 0 "[ . 1 . 2]" 1
426 1 36 ILE H 1 37 GLU HA 5.000 . 6.000 4.310 4.270 4.415 . 0 0 "[ . 1 . 2]" 1
427 1 36 ILE HA 1 37 GLU H 4.000 . 4.750 3.112 3.108 3.117 . 0 0 "[ . 1 . 2]" 1
428 1 36 ILE HB 1 37 GLU H 5.000 . 6.000 4.435 4.402 4.475 . 0 0 "[ . 1 . 2]" 1
429 1 36 ILE MG 1 37 GLU H 5.000 . 6.000 4.267 4.210 4.321 . 0 0 "[ . 1 . 2]" 1
430 1 36 ILE QG 1 37 GLU HA 5.000 . 6.000 3.552 3.500 3.628 . 0 0 "[ . 1 . 2]" 1
431 1 37 GLU H 1 38 HIS H 4.000 . 4.750 2.793 2.753 2.835 . 0 0 "[ . 1 . 2]" 1
432 1 37 GLU HA 1 38 HIS H 5.000 . 6.000 3.481 3.470 3.506 . 0 0 "[ . 1 . 2]" 1
433 1 37 GLU QB 1 38 HIS H 3.000 . 3.500 2.866 2.777 2.928 . 0 0 "[ . 1 . 2]" 1
434 1 37 GLU QB 1 38 HIS HD2 4.000 . 4.750 2.710 1.967 4.233 . 0 0 "[ . 1 . 2]" 1
435 1 37 GLU QG 1 38 HIS H 5.000 . 6.000 4.077 3.797 4.443 . 0 0 "[ . 1 . 2]" 1
436 1 38 HIS H 1 39 TYR H 3.000 . 3.500 2.537 2.479 2.607 . 0 0 "[ . 1 . 2]" 1
437 1 38 HIS H 1 39 TYR HA 5.000 . 6.000 4.418 4.366 4.464 . 0 0 "[ . 1 . 2]" 1
438 1 38 HIS H 1 39 TYR QD 5.000 . 6.000 3.663 3.563 3.770 . 0 0 "[ . 1 . 2]" 1
439 1 38 HIS HA 1 39 TYR H 4.000 . 4.750 2.957 2.927 3.003 . 0 0 "[ . 1 . 2]" 1
440 1 38 HIS QB 1 39 TYR H 5.000 . 6.000 3.795 3.729 4.032 . 0 0 "[ . 1 . 2]" 1
441 1 39 TYR H 1 40 SER H 5.000 . 6.000 4.578 4.565 4.586 . 0 0 "[ . 1 . 2]" 1
442 1 39 TYR HA 1 40 SER H 3.000 . 3.500 2.166 2.137 2.183 . 0 0 "[ . 1 . 2]" 1
443 1 39 TYR HB3 1 40 SER H 4.000 . 4.750 3.134 3.089 3.197 . 0 0 "[ . 1 . 2]" 1
444 1 39 TYR HB2 1 40 SER H 5.000 . 6.000 4.238 4.214 4.271 . 0 0 "[ . 1 . 2]" 1
445 1 39 TYR QD 1 40 SER H 4.000 . 4.750 3.817 3.793 3.844 . 0 0 "[ . 1 . 2]" 1
446 1 40 SER H 1 41 MET H 5.000 . 6.000 4.527 4.499 4.542 . 0 0 "[ . 1 . 2]" 1
447 1 40 SER HA 1 41 MET H 4.000 . 4.750 2.471 2.412 2.532 . 0 0 "[ . 1 . 2]" 1
448 1 40 SER QB 1 41 MET H 3.000 . 3.500 2.458 2.336 2.571 . 0 0 "[ . 1 . 2]" 1
449 1 41 MET H 1 42 ASP H 3.000 . 3.500 2.570 2.483 2.643 . 0 0 "[ . 1 . 2]" 1
450 1 41 MET HA 1 42 ASP H 3.000 . 3.500 3.475 3.464 3.484 . 0 0 "[ . 1 . 2]" 1
451 1 41 MET QB 1 42 ASP H 4.000 . 4.750 2.830 2.773 2.920 . 0 0 "[ . 1 . 2]" 1
452 1 41 MET QG 1 42 ASP H 5.000 . 6.000 3.867 3.768 4.528 . 0 0 "[ . 1 . 2]" 1
453 1 42 ASP H 1 43 ASP H 4.000 . 4.750 2.690 2.645 2.718 . 0 0 "[ . 1 . 2]" 1
454 1 42 ASP HA 1 43 ASP H 4.000 . 4.750 3.577 3.572 3.581 . 0 0 "[ . 1 . 2]" 1
455 1 42 ASP QB 1 43 ASP H 4.000 . 4.750 2.378 2.296 2.549 . 0 0 "[ . 1 . 2]" 1
456 1 43 ASP H 1 44 LEU H 3.000 . 3.500 2.741 2.705 2.779 . 0 0 "[ . 1 . 2]" 1
457 1 43 ASP HA 1 44 LEU H 5.000 . 6.000 3.540 3.532 3.547 . 0 0 "[ . 1 . 2]" 1
458 1 43 ASP QB 1 44 LEU H 4.000 . 4.750 2.372 2.285 2.456 . 0 0 "[ . 1 . 2]" 1
459 1 43 ASP QB 1 44 LEU HG 5.000 . 6.000 4.751 4.725 4.768 . 0 0 "[ . 1 . 2]" 1
460 1 44 LEU H 1 45 ALA H 3.000 . 3.500 2.664 2.620 2.711 . 0 0 "[ . 1 . 2]" 1
461 1 44 LEU HA 1 45 ALA H 4.000 . 4.750 3.507 3.499 3.514 . 0 0 "[ . 1 . 2]" 1
462 1 44 LEU HB3 1 45 ALA H 4.000 . 4.750 2.888 2.849 2.929 . 0 0 "[ . 1 . 2]" 1
463 1 44 LEU HB2 1 45 ALA H 4.000 . 4.750 3.407 3.381 3.440 . 0 0 "[ . 1 . 2]" 1
464 1 44 LEU HG 1 45 ALA H 5.000 . 6.000 5.147 5.116 5.164 . 0 0 "[ . 1 . 2]" 1
465 1 44 LEU MD1 1 45 ALA H 5.000 . 6.000 4.717 4.669 4.759 . 0 0 "[ . 1 . 2]" 1
466 1 44 LEU MD2 1 45 ALA H 5.000 . 6.000 4.119 4.063 4.149 . 0 0 "[ . 1 . 2]" 1
467 1 45 ALA H 1 46 SER H 3.000 . 3.500 2.404 2.391 2.415 . 0 0 "[ . 1 . 2]" 1
468 1 45 ALA HA 1 46 SER H 3.000 . 3.500 3.495 3.488 3.501 0.001 17 0 "[ . 1 . 2]" 1
469 1 45 ALA MB 1 46 SER H 4.000 . 4.750 2.753 2.707 2.836 . 0 0 "[ . 1 . 2]" 1
470 1 46 SER H 1 47 LEU H 3.000 . 3.500 2.625 2.550 2.675 . 0 0 "[ . 1 . 2]" 1
471 1 46 SER HA 1 47 LEU H 3.000 . 3.500 3.517 3.494 3.531 0.031 14 0 "[ . 1 . 2]" 1
472 1 46 SER QB 1 47 LEU H 4.000 . 4.750 2.684 2.509 3.448 . 0 0 "[ . 1 . 2]" 1
473 1 47 LEU H 1 48 LYS H 3.000 . 3.500 2.548 2.510 2.581 . 0 0 "[ . 1 . 2]" 1
474 1 47 LEU H 1 48 LYS HA 5.000 . 6.000 4.845 4.788 4.881 . 0 0 "[ . 1 . 2]" 1
475 1 47 LEU HA 1 48 LYS H 4.000 . 4.750 3.383 3.328 3.408 . 0 0 "[ . 1 . 2]" 1
476 1 47 LEU HA 1 48 LYS HA 5.000 . 6.000 5.073 5.036 5.117 . 0 0 "[ . 1 . 2]" 1
477 1 47 LEU HB3 1 48 LYS H 5.000 . 6.000 4.357 4.292 4.449 . 0 0 "[ . 1 . 2]" 1
478 1 47 LEU HB2 1 48 LYS H 3.000 . 3.500 3.315 3.199 3.498 . 0 0 "[ . 1 . 2]" 1
479 1 47 LEU HG 1 48 LYS H 4.000 . 4.750 3.770 3.631 3.988 . 0 0 "[ . 1 . 2]" 1
480 1 47 LEU MD1 1 48 LYS H 5.000 . 6.000 4.782 4.675 4.950 . 0 0 "[ . 1 . 2]" 1
481 1 47 LEU MD2 1 48 LYS H 5.000 . 6.000 4.186 4.141 4.324 . 0 0 "[ . 1 . 2]" 1
482 1 48 LYS H 1 49 ILE H 3.000 . 3.500 2.259 2.206 2.427 . 0 0 "[ . 1 . 2]" 1
483 1 48 LYS HA 1 49 ILE H 3.000 . 3.500 3.090 2.998 3.149 . 0 0 "[ . 1 . 2]" 1
484 1 48 LYS QB 1 49 ILE H 5.000 . 6.000 3.741 3.685 3.805 . 0 0 "[ . 1 . 2]" 1
485 1 49 ILE H 1 50 PRO HD3 5.000 . 6.000 4.485 4.330 4.584 . 0 0 "[ . 1 . 2]" 1
486 1 49 ILE HA 1 50 PRO HD3 3.000 . 3.500 1.934 1.915 1.951 . 0 0 "[ . 1 . 2]" 1
487 1 49 ILE HA 1 50 PRO HD2 3.000 . 3.500 2.505 2.439 2.552 . 0 0 "[ . 1 . 2]" 1
488 1 49 ILE HB 1 50 PRO HD3 4.000 . 4.750 4.767 4.743 4.786 0.036 9 0 "[ . 1 . 2]" 1
489 1 49 ILE HB 1 50 PRO HD2 5.000 . 6.000 4.636 4.522 4.788 . 0 0 "[ . 1 . 2]" 1
490 1 49 ILE MG 1 50 PRO HD3 4.000 . 4.750 3.345 3.217 3.550 . 0 0 "[ . 1 . 2]" 1
491 1 49 ILE MG 1 50 PRO HD2 4.000 . 4.750 2.332 2.077 2.728 . 0 0 "[ . 1 . 2]" 1
492 1 49 ILE MD 1 50 PRO HD3 5.000 . 6.000 5.017 5.008 5.027 . 0 0 "[ . 1 . 2]" 1
493 1 50 PRO HA 1 51 GLU H 3.000 . 3.500 2.293 2.199 2.369 . 0 0 "[ . 1 . 2]" 1
494 1 50 PRO HB3 1 51 GLU H 4.000 . 4.750 2.972 2.789 3.233 . 0 0 "[ . 1 . 2]" 1
495 1 50 PRO HB2 1 51 GLU H 5.000 . 6.000 3.414 3.211 3.657 . 0 0 "[ . 1 . 2]" 1
496 1 50 PRO HG3 1 51 GLU H 5.000 . 6.000 4.786 4.703 4.908 . 0 0 "[ . 1 . 2]" 1
497 1 50 PRO HG2 1 51 GLU H 5.000 . 6.000 5.279 5.133 5.469 . 0 0 "[ . 1 . 2]" 1
498 1 51 GLU H 1 52 GLN H 5.000 . 6.000 2.619 2.502 2.809 . 0 0 "[ . 1 . 2]" 1
499 1 51 GLU HA 1 52 GLN H 5.000 . 6.000 3.490 3.451 3.542 . 0 0 "[ . 1 . 2]" 1
500 1 51 GLU QB 1 52 GLN H 4.000 . 4.750 2.798 2.479 3.027 . 0 0 "[ . 1 . 2]" 1
501 1 51 GLU QG 1 52 GLN H 5.000 . 6.000 4.265 3.694 4.640 . 0 0 "[ . 1 . 2]" 1
502 1 52 GLN H 1 53 PHE H 4.000 . 4.750 2.565 2.454 2.697 . 0 0 "[ . 1 . 2]" 1
503 1 52 GLN HA 1 53 PHE H 3.000 . 3.500 3.431 3.405 3.508 0.008 8 0 "[ . 1 . 2]" 1
504 1 52 GLN QB 1 53 PHE H 3.000 . 3.500 3.057 2.698 3.129 . 0 0 "[ . 1 . 2]" 1
505 1 52 GLN QG 1 53 PHE QE 5.000 . 6.000 4.546 4.036 4.766 . 0 0 "[ . 1 . 2]" 1
506 1 53 PHE H 1 54 ARG H 3.000 . 3.500 2.118 1.986 2.235 . 0 0 "[ . 1 . 2]" 1
507 1 53 PHE HA 1 54 ARG H 5.000 . 6.000 3.540 3.455 3.576 . 0 0 "[ . 1 . 2]" 1
508 1 53 PHE HB2 1 54 ARG H 4.000 . 4.750 2.660 2.455 3.027 . 0 0 "[ . 1 . 2]" 1
509 1 53 PHE QD 1 54 ARG H 4.000 . 4.750 4.200 3.980 4.253 . 0 0 "[ . 1 . 2]" 1
510 1 54 ARG H 1 55 HIS H 4.000 . 4.750 2.763 2.672 2.899 . 0 0 "[ . 1 . 2]" 1
511 1 54 ARG HA 1 55 HIS H 5.000 . 6.000 3.510 3.474 3.564 . 0 0 "[ . 1 . 2]" 1
512 1 54 ARG QB 1 55 HIS H 4.000 . 4.750 3.438 2.342 3.612 . 0 0 "[ . 1 . 2]" 1
513 1 54 ARG QG 1 55 HIS H 3.000 . 3.500 2.299 2.118 3.138 . 0 0 "[ . 1 . 2]" 1
514 1 55 HIS H 1 56 ALA H 3.000 . 3.500 2.718 2.667 2.759 . 0 0 "[ . 1 . 2]" 1
515 1 55 HIS HA 1 56 ALA H 5.000 . 6.000 3.562 3.551 3.566 . 0 0 "[ . 1 . 2]" 1
516 1 55 HIS QB 1 56 ALA H 4.000 . 4.750 2.466 2.395 2.625 . 0 0 "[ . 1 . 2]" 1
517 1 55 HIS QB 1 56 ALA MB 5.000 . 6.000 3.672 3.545 3.813 . 0 0 "[ . 1 . 2]" 1
518 1 56 ALA H 1 57 ILE H 3.000 . 3.500 2.704 2.588 2.778 . 0 0 "[ . 1 . 2]" 1
519 1 56 ALA HA 1 57 ILE H 3.000 . 3.500 3.540 3.530 3.548 0.048 8 0 "[ . 1 . 2]" 1
520 1 56 ALA MB 1 57 ILE H 4.000 . 4.750 2.407 2.304 2.560 . 0 0 "[ . 1 . 2]" 1
521 1 56 ALA MB 1 57 ILE HA 5.000 . 6.000 3.739 3.655 3.797 . 0 0 "[ . 1 . 2]" 1
522 1 56 ALA MB 1 57 ILE QG 5.000 . 6.000 2.981 2.858 3.130 . 0 0 "[ . 1 . 2]" 1
523 1 57 ILE H 1 58 TRP H 3.000 . 3.500 2.730 2.691 2.762 . 0 0 "[ . 1 . 2]" 1
524 1 57 ILE HA 1 58 TRP H 4.000 . 4.750 3.552 3.543 3.560 . 0 0 "[ . 1 . 2]" 1
525 1 57 ILE HB 1 58 TRP H 3.000 . 3.500 2.482 2.413 2.568 . 0 0 "[ . 1 . 2]" 1
526 1 57 ILE MG 1 58 TRP H 5.000 . 6.000 3.441 3.378 3.523 . 0 0 "[ . 1 . 2]" 1
527 1 57 ILE MD 1 58 TRP H 5.000 . 6.000 4.337 4.164 4.522 . 0 0 "[ . 1 . 2]" 1
528 1 57 ILE QG 1 58 TRP H 5.000 . 6.000 3.920 3.868 3.949 . 0 0 "[ . 1 . 2]" 1
529 1 58 TRP H 1 59 LYS H 4.000 . 4.750 2.740 2.704 2.783 . 0 0 "[ . 1 . 2]" 1
530 1 58 TRP HA 1 59 LYS H 5.000 . 6.000 3.539 3.526 3.551 . 0 0 "[ . 1 . 2]" 1
531 1 58 TRP HB3 1 59 LYS H 4.000 . 4.750 2.544 2.474 2.633 . 0 0 "[ . 1 . 2]" 1
532 1 58 TRP HB2 1 59 LYS H 5.000 . 6.000 3.807 3.728 3.861 . 0 0 "[ . 1 . 2]" 1
533 1 58 TRP HE3 1 59 LYS H 5.000 . 6.000 4.133 3.607 4.388 . 0 0 "[ . 1 . 2]" 1
534 1 58 TRP HE3 1 59 LYS HA 5.000 . 6.000 4.559 3.973 4.993 . 0 0 "[ . 1 . 2]" 1
535 1 59 LYS H 1 60 GLY H 4.000 . 4.750 2.712 2.669 2.738 . 0 0 "[ . 1 . 2]" 1
536 1 59 LYS HA 1 60 GLY H 4.000 . 4.750 3.543 3.520 3.554 . 0 0 "[ . 1 . 2]" 1
537 1 59 LYS QB 1 60 GLY H 4.000 . 4.750 2.573 2.475 2.691 . 0 0 "[ . 1 . 2]" 1
538 1 60 GLY H 1 61 ILE H 3.000 . 3.500 2.728 2.698 2.761 . 0 0 "[ . 1 . 2]" 1
539 1 60 GLY QA 1 61 ILE H 4.000 . 4.750 2.705 2.662 2.729 . 0 0 "[ . 1 . 2]" 1
540 1 61 ILE H 1 62 LEU H 3.000 . 3.500 2.642 2.579 2.797 . 0 0 "[ . 1 . 2]" 1
541 1 61 ILE HA 1 62 LEU H 4.000 . 4.750 3.535 3.505 3.566 . 0 0 "[ . 1 . 2]" 1
542 1 61 ILE HB 1 62 LEU H 3.000 . 3.500 2.596 2.340 2.799 . 0 0 "[ . 1 . 2]" 1
543 1 61 ILE MG 1 62 LEU H 4.000 . 4.750 3.589 3.411 3.721 . 0 0 "[ . 1 . 2]" 1
544 1 61 ILE QG 1 62 LEU H 5.000 . 6.000 3.879 3.801 3.964 . 0 0 "[ . 1 . 2]" 1
545 1 62 LEU H 1 63 ASP H 3.000 . 3.500 2.698 2.625 2.798 . 0 0 "[ . 1 . 2]" 1
546 1 62 LEU HA 1 63 ASP H 4.000 . 4.750 3.546 3.514 3.559 . 0 0 "[ . 1 . 2]" 1
547 1 62 LEU HB3 1 63 ASP H 4.000 . 4.750 3.300 3.160 3.651 . 0 0 "[ . 1 . 2]" 1
548 1 62 LEU HB2 1 63 ASP H 4.000 . 4.750 2.673 2.579 2.795 . 0 0 "[ . 1 . 2]" 1
549 1 62 LEU HG 1 63 ASP H 5.000 . 6.000 4.678 4.327 4.758 . 0 0 "[ . 1 . 2]" 1
550 1 62 LEU MD1 1 63 ASP H 5.000 . 6.000 4.447 4.267 4.571 . 0 0 "[ . 1 . 2]" 1
551 1 62 LEU MD2 1 63 ASP H 5.000 . 6.000 4.687 4.610 4.856 . 0 0 "[ . 1 . 2]" 1
552 1 63 ASP H 1 64 HIS H 3.000 . 3.500 2.704 2.574 2.770 . 0 0 "[ . 1 . 2]" 1
553 1 63 ASP HA 1 64 HIS H 4.000 . 4.750 3.510 3.490 3.548 . 0 0 "[ . 1 . 2]" 1
554 1 63 ASP QB 1 64 HIS H 4.000 . 4.750 2.748 2.513 2.883 . 0 0 "[ . 1 . 2]" 1
555 1 64 HIS H 1 65 ARG H 3.000 . 3.500 2.565 2.427 2.720 . 0 0 "[ . 1 . 2]" 1
556 1 64 HIS HA 1 65 ARG H 5.000 . 6.000 3.504 3.484 3.533 . 0 0 "[ . 1 . 2]" 1
557 1 64 HIS HB3 1 65 ARG H 3.000 . 3.500 2.798 2.626 2.909 . 0 0 "[ . 1 . 2]" 1
558 1 64 HIS HB2 1 65 ARG H 4.000 . 4.750 3.828 3.700 3.991 . 0 0 "[ . 1 . 2]" 1
559 1 65 ARG H 1 66 GLN H 3.000 . 3.500 2.556 2.386 2.737 . 0 0 "[ . 1 . 2]" 1
560 1 65 ARG HA 1 66 GLN H 4.000 . 4.750 3.502 3.479 3.552 . 0 0 "[ . 1 . 2]" 1
561 1 65 ARG QB 1 66 GLN H 3.000 . 3.500 2.783 2.587 2.947 . 0 0 "[ . 1 . 2]" 1
562 1 65 ARG QG 1 66 GLN H 5.000 . 6.000 4.256 3.672 4.526 . 0 0 "[ . 1 . 2]" 1
563 1 66 GLN H 1 67 LEU H 3.000 . 3.500 2.587 2.384 2.700 . 0 0 "[ . 1 . 2]" 1
564 1 66 GLN HA 1 67 LEU H 3.000 . 3.500 3.496 3.471 3.548 0.048 5 0 "[ . 1 . 2]" 1
565 1 66 GLN QB 1 67 LEU H 3.000 . 3.500 2.777 2.305 2.917 . 0 0 "[ . 1 . 2]" 1
566 1 67 LEU H 1 68 HIS H 4.000 . 4.750 2.613 2.356 2.719 . 0 0 "[ . 1 . 2]" 1
567 1 67 LEU HA 1 68 HIS H 4.000 . 4.750 3.501 3.442 3.535 . 0 0 "[ . 1 . 2]" 1
568 1 67 LEU HG 1 68 HIS H 5.000 . 6.000 4.558 2.640 5.000 . 0 0 "[ . 1 . 2]" 1
569 1 67 LEU MD1 1 68 HIS H 5.000 . 6.000 4.535 2.880 4.823 . 0 0 "[ . 1 . 2]" 1
570 1 67 LEU MD2 1 68 HIS H 5.000 . 6.000 4.727 4.248 4.954 . 0 0 "[ . 1 . 2]" 1
571 1 67 LEU QB 1 68 HIS H 5.000 . 6.000 2.804 2.624 3.617 . 0 0 "[ . 1 . 2]" 1
572 1 68 HIS H 1 69 GLU H 5.000 . 6.000 2.349 2.104 2.537 . 0 0 "[ . 1 . 2]" 1
573 1 68 HIS HA 1 69 GLU H 4.000 . 4.750 3.505 3.431 3.540 . 0 0 "[ . 1 . 2]" 1
574 1 68 HIS QB 1 69 GLU H 4.000 . 4.750 2.772 2.538 3.103 . 0 0 "[ . 1 . 2]" 1
575 1 69 GLU H 1 70 PHE H 4.000 . 4.750 3.748 2.665 4.133 . 0 0 "[ . 1 . 2]" 1
576 1 69 GLU HA 1 70 PHE H 3.000 . 3.500 2.358 2.139 3.548 0.048 16 0 "[ . 1 . 2]" 1
577 1 69 GLU HA 1 70 PHE QD 5.000 . 6.000 4.384 3.171 5.340 . 0 0 "[ . 1 . 2]" 1
578 1 69 GLU QB 1 70 PHE H 4.000 . 4.750 3.670 1.955 4.002 . 0 0 "[ . 1 . 2]" 1
579 1 69 GLU QG 1 70 PHE H 5.000 . 6.000 3.952 2.718 4.647 . 0 0 "[ . 1 . 2]" 1
580 1 70 PHE H 1 71 SER H 4.000 . 4.750 3.971 2.000 4.636 . 0 0 "[ . 1 . 2]" 1
581 1 70 PHE HA 1 71 SER H 4.000 . 4.750 2.550 2.161 3.570 . 0 0 "[ . 1 . 2]" 1
582 1 70 PHE QB 1 71 SER H 5.000 . 6.000 2.763 2.152 3.951 . 0 0 "[ . 1 . 2]" 1
583 1 70 PHE QD 1 71 SER H 5.000 . 6.000 3.474 1.999 4.471 . 0 0 "[ . 1 . 2]" 1
584 1 71 SER H 1 72 SER H 4.000 . 4.750 3.274 1.994 4.515 . 0 0 "[ . 1 . 2]" 1
585 1 71 SER HA 1 72 SER H 4.000 . 4.750 2.706 2.142 3.547 . 0 0 "[ . 1 . 2]" 1
586 1 71 SER QB 1 72 SER H 4.000 . 4.750 3.338 2.285 3.982 . 0 0 "[ . 1 . 2]" 1
587 1 72 SER HA 1 73 PRO QD 3.000 . 3.500 2.016 1.912 2.114 . 0 0 "[ . 1 . 2]" 1
588 1 76 LEU H 1 77 LEU MD2 5.000 . 6.000 4.359 3.338 4.998 . 0 0 "[ . 1 . 2]" 1
589 1 76 LEU HA 1 77 LEU H 4.000 . 4.750 2.585 2.141 3.547 . 0 0 "[ . 1 . 2]" 1
590 1 77 LEU HA 1 78 ARG H 4.000 . 4.750 2.745 2.139 3.566 . 0 0 "[ . 1 . 2]" 1
591 1 78 ARG HA 1 79 THR H 4.000 . 4.750 2.683 2.144 3.569 . 0 0 "[ . 1 . 2]" 1
592 1 81 SER HA 1 82 SER H 5.000 . 6.000 2.639 2.140 3.570 . 0 0 "[ . 1 . 2]" 1
593 1 8 SER QB 1 10 VAL H 4.000 . 4.750 2.654 2.551 2.717 . 0 0 "[ . 1 . 2]" 1
594 1 8 SER QB 1 10 VAL HB 4.000 . 4.750 3.179 3.148 3.231 . 0 0 "[ . 1 . 2]" 1
595 1 8 SER QB 1 10 VAL MG1 5.000 . 6.000 4.481 4.477 4.484 . 0 0 "[ . 1 . 2]" 1
596 1 11 SER H 1 13 LEU H 4.000 . 4.750 4.115 4.073 4.204 . 0 0 "[ . 1 . 2]" 1
597 1 12 PHE H 1 14 ALA H 4.000 . 4.750 3.994 3.928 4.072 . 0 0 "[ . 1 . 2]" 1
598 1 12 PHE HA 1 14 ALA H 4.000 . 4.750 4.613 4.546 4.694 . 0 0 "[ . 1 . 2]" 1
599 1 14 ALA HA 1 16 LEU H 5.000 . 6.000 4.055 3.952 4.157 . 0 0 "[ . 1 . 2]" 1
600 1 16 LEU H 1 18 CYS H 5.000 . 6.000 3.889 3.627 3.946 . 0 0 "[ . 1 . 2]" 1
601 1 16 LEU HA 1 18 CYS H 5.000 . 6.000 5.268 4.820 5.429 . 0 0 "[ . 1 . 2]" 1
602 1 16 LEU HB2 1 18 CYS QB 4.000 . 4.750 3.333 3.079 4.103 . 0 0 "[ . 1 . 2]" 1
603 1 16 LEU MD1 1 18 CYS QB 5.000 . 6.000 3.849 3.490 4.455 . 0 0 "[ . 1 . 2]" 1
604 1 24 TYR H 1 26 THR H 5.000 . 6.000 4.248 4.227 4.274 . 0 0 "[ . 1 . 2]" 1
605 1 26 THR HA 1 28 GLN H 5.000 . 6.000 3.709 3.680 3.773 . 0 0 "[ . 1 . 2]" 1
606 1 28 GLN H 1 30 LEU H 4.000 . 4.750 3.318 3.219 3.383 . 0 0 "[ . 1 . 2]" 1
607 1 28 GLN QB 1 30 LEU MD1 4.000 . 4.750 1.793 1.719 1.829 0.081 1 0 "[ . 1 . 2]" 1
608 1 28 GLN QG 1 30 LEU HG 4.000 . 4.750 3.837 3.544 4.250 . 0 0 "[ . 1 . 2]" 1
609 1 28 GLN QG 1 30 LEU MD1 5.000 . 6.000 2.144 1.904 2.548 . 0 0 "[ . 1 . 2]" 1
610 1 32 THR HA 1 34 TYR H 5.000 . 6.000 4.072 3.947 4.174 . 0 0 "[ . 1 . 2]" 1
611 1 32 THR HB 1 34 TYR H 4.000 . 4.750 3.033 2.794 3.188 . 0 0 "[ . 1 . 2]" 1
612 1 32 THR HB 1 34 TYR QD 4.000 . 4.750 3.540 3.053 3.806 . 0 0 "[ . 1 . 2]" 1
613 1 32 THR MG 1 34 TYR QD 5.000 . 6.000 4.431 4.001 4.476 . 0 0 "[ . 1 . 2]" 1
614 1 45 ALA HA 1 47 LEU H 5.000 . 6.000 4.217 4.054 4.304 . 0 0 "[ . 1 . 2]" 1
615 1 47 LEU H 1 49 ILE H 5.000 . 6.000 3.788 3.618 3.896 . 0 0 "[ . 1 . 2]" 1
616 1 47 LEU H 1 49 ILE MD 5.000 . 6.000 3.615 3.570 3.680 . 0 0 "[ . 1 . 2]" 1
617 1 47 LEU HB2 1 49 ILE H 4.000 . 4.750 3.168 3.092 3.260 . 0 0 "[ . 1 . 2]" 1
618 1 47 LEU HB2 1 49 ILE QG 4.000 . 4.750 3.528 3.325 3.624 . 0 0 "[ . 1 . 2]" 1
619 1 47 LEU MD1 1 49 ILE MD 5.000 . 6.000 1.924 1.813 2.197 . 0 0 "[ . 1 . 2]" 1
620 1 53 PHE H 1 55 HIS H 5.000 . 6.000 3.658 3.410 4.299 . 0 0 "[ . 1 . 2]" 1
621 1 55 HIS HA 1 57 ILE H 5.000 . 6.000 4.749 4.680 4.811 . 0 0 "[ . 1 . 2]" 1
622 1 56 ALA MB 1 58 TRP H 5.000 . 6.000 4.501 4.441 4.566 . 0 0 "[ . 1 . 2]" 1
623 1 68 HIS H 1 70 PHE H 5.000 . 6.000 5.581 4.013 5.993 . 0 0 "[ . 1 . 2]" 1
624 1 70 PHE QD 1 72 SER QB 5.000 . 6.000 3.949 2.074 4.668 . 0 0 "[ . 1 . 2]" 1
625 1 9 ILE HA 1 12 PHE H 4.000 . 4.750 3.433 3.375 3.465 . 0 0 "[ . 1 . 2]" 1
626 1 9 ILE HA 1 12 PHE HB3 3.000 . 3.500 1.983 1.965 1.999 . 0 0 "[ . 1 . 2]" 1
627 1 9 ILE HA 1 12 PHE HB2 3.000 . 3.500 3.517 3.509 3.520 0.020 14 0 "[ . 1 . 2]" 1
628 1 9 ILE HA 1 12 PHE QD 3.000 . 3.500 1.990 1.973 2.005 . 0 0 "[ . 1 . 2]" 1
629 1 9 ILE HA 1 12 PHE QE 4.000 . 4.750 4.269 4.255 4.278 . 0 0 "[ . 1 . 2]" 1
630 1 9 ILE MG 1 12 PHE QD 5.000 . 6.000 2.573 2.266 2.795 . 0 0 "[ . 1 . 2]" 1
631 1 9 ILE MG 1 12 PHE QE 5.000 . 6.000 3.367 3.114 3.642 . 0 0 "[ . 1 . 2]" 1
632 1 9 ILE MD 1 12 PHE HB3 5.000 . 6.000 3.461 3.346 3.700 . 0 0 "[ . 1 . 2]" 1
633 1 10 VAL HA 1 13 LEU H 5.000 . 6.000 3.901 3.837 3.989 . 0 0 "[ . 1 . 2]" 1
634 1 10 VAL HA 1 13 LEU HB2 4.000 . 4.750 3.306 3.191 3.454 . 0 0 "[ . 1 . 2]" 1
635 1 10 VAL HA 1 13 LEU MD1 5.000 . 6.000 3.915 3.580 4.306 . 0 0 "[ . 1 . 2]" 1
636 1 11 SER HA 1 14 ALA H 4.000 . 4.750 3.396 3.324 3.523 . 0 0 "[ . 1 . 2]" 1
637 1 11 SER HA 1 14 ALA MB 4.000 . 4.750 2.217 2.088 2.461 . 0 0 "[ . 1 . 2]" 1
638 1 11 SER QB 1 14 ALA MB 5.000 . 6.000 3.922 3.689 4.215 . 0 0 "[ . 1 . 2]" 1
639 1 12 PHE HA 1 15 ARG H 4.000 . 4.750 3.836 3.746 3.914 . 0 0 "[ . 1 . 2]" 1
640 1 12 PHE HA 1 15 ARG QB 5.000 . 6.000 3.197 3.061 3.326 . 0 0 "[ . 1 . 2]" 1
641 1 13 LEU HA 1 16 LEU H 4.000 . 4.750 3.264 3.175 3.364 . 0 0 "[ . 1 . 2]" 1
642 1 13 LEU HA 1 16 LEU HB2 4.000 . 4.750 3.007 2.786 3.301 . 0 0 "[ . 1 . 2]" 1
643 1 13 LEU HA 1 16 LEU MD1 5.000 . 6.000 2.476 2.012 3.127 . 0 0 "[ . 1 . 2]" 1
644 1 14 ALA HA 1 17 GLY H 4.000 . 4.750 3.151 3.072 3.251 . 0 0 "[ . 1 . 2]" 1
645 1 19 SER HA 1 22 LEU H 4.000 . 4.750 3.516 3.420 3.731 . 0 0 "[ . 1 . 2]" 1
646 1 21 CYS QB 1 24 TYR QD 3.000 . 3.500 2.699 2.328 2.783 . 0 0 "[ . 1 . 2]" 1
647 1 22 LEU HA 1 25 PHE H 5.000 . 6.000 3.104 3.053 3.159 . 0 0 "[ . 1 . 2]" 1
648 1 22 LEU HA 1 25 PHE HB2 4.000 . 4.750 2.574 2.500 2.637 . 0 0 "[ . 1 . 2]" 1
649 1 22 LEU HA 1 25 PHE QD 4.000 . 4.750 1.855 1.787 1.899 0.013 5 0 "[ . 1 . 2]" 1
650 1 22 LEU HA 1 25 PHE QE 5.000 . 6.000 3.922 3.874 3.987 . 0 0 "[ . 1 . 2]" 1
651 1 22 LEU MD1 1 25 PHE HB3 5.000 . 6.000 5.004 4.998 5.009 . 0 0 "[ . 1 . 2]" 1
652 1 22 LEU MD1 1 25 PHE HB2 5.000 . 6.000 4.126 4.100 4.168 . 0 0 "[ . 1 . 2]" 1
653 1 22 LEU MD1 1 25 PHE QD 5.000 . 6.000 3.402 3.347 3.459 . 0 0 "[ . 1 . 2]" 1
654 1 22 LEU MD1 1 25 PHE QE 5.000 . 6.000 4.454 4.433 4.465 . 0 0 "[ . 1 . 2]" 1
655 1 23 ASP HA 1 26 THR H 4.000 . 4.750 3.623 3.543 3.659 . 0 0 "[ . 1 . 2]" 1
656 1 23 ASP HA 1 26 THR HA 5.000 . 6.000 5.606 5.507 5.663 . 0 0 "[ . 1 . 2]" 1
657 1 23 ASP HA 1 26 THR HB 5.000 . 6.000 4.374 4.231 4.463 . 0 0 "[ . 1 . 2]" 1
658 1 23 ASP HA 1 26 THR MG 5.000 . 6.000 3.698 3.474 3.874 . 0 0 "[ . 1 . 2]" 1
659 1 26 THR HA 1 29 GLY H 4.000 . 4.750 2.955 2.882 3.055 . 0 0 "[ . 1 . 2]" 1
660 1 33 ILE HA 1 36 ILE H 4.000 . 4.750 3.554 3.266 3.683 . 0 0 "[ . 1 . 2]" 1
661 1 33 ILE HA 1 36 ILE HB 5.000 . 6.000 5.371 4.955 5.610 . 0 0 "[ . 1 . 2]" 1
662 1 33 ILE HA 1 36 ILE MG 5.000 . 6.000 4.091 3.626 4.328 . 0 0 "[ . 1 . 2]" 1
663 1 33 ILE HA 1 36 ILE QG 3.000 . 3.500 2.367 1.974 2.573 . 0 0 "[ . 1 . 2]" 1
664 1 33 ILE MD 1 36 ILE QG 5.000 . 6.000 4.259 3.803 4.454 . 0 0 "[ . 1 . 2]" 1
665 1 34 TYR QD 1 37 GLU QB 4.000 . 4.750 2.874 2.608 3.170 . 0 0 "[ . 1 . 2]" 1
666 1 36 ILE HA 1 39 TYR QD 4.000 . 4.750 2.371 2.157 2.544 . 0 0 "[ . 1 . 2]" 1
667 1 36 ILE HA 1 39 TYR QE 4.000 . 4.750 3.358 3.181 3.520 . 0 0 "[ . 1 . 2]" 1
668 1 36 ILE HB 1 39 TYR QD 3.000 . 3.500 2.925 2.875 2.982 . 0 0 "[ . 1 . 2]" 1
669 1 36 ILE HB 1 39 TYR QE 4.000 . 4.750 4.109 3.981 4.235 . 0 0 "[ . 1 . 2]" 1
670 1 36 ILE MG 1 39 TYR QD 5.000 . 6.000 2.811 2.565 3.035 . 0 0 "[ . 1 . 2]" 1
671 1 36 ILE MG 1 39 TYR QE 5.000 . 6.000 2.732 2.611 2.872 . 0 0 "[ . 1 . 2]" 1
672 1 36 ILE MD 1 39 TYR QE 5.000 . 6.000 4.462 4.456 4.467 . 0 0 "[ . 1 . 2]" 1
673 1 40 SER H 1 43 ASP H 4.000 . 4.750 3.294 3.237 3.347 . 0 0 "[ . 1 . 2]" 1
674 1 40 SER H 1 43 ASP QB 3.000 . 3.500 2.366 2.311 2.432 . 0 0 "[ . 1 . 2]" 1
675 1 41 MET HA 1 44 LEU HB3 4.000 . 4.750 3.185 3.156 3.233 . 0 0 "[ . 1 . 2]" 1
676 1 41 MET HA 1 44 LEU HB2 4.000 . 4.750 2.888 2.793 2.954 . 0 0 "[ . 1 . 2]" 1
677 1 41 MET HA 1 44 LEU MD1 4.000 . 4.750 3.317 3.195 3.406 . 0 0 "[ . 1 . 2]" 1
678 1 41 MET HA 1 44 LEU MD2 5.000 . 6.000 5.017 5.003 5.029 . 0 0 "[ . 1 . 2]" 1
679 1 41 MET ME 1 44 LEU MD1 5.000 . 6.000 3.411 2.758 4.165 . 0 0 "[ . 1 . 2]" 1
680 1 42 ASP HA 1 45 ALA H 4.000 . 4.750 3.475 3.423 3.543 . 0 0 "[ . 1 . 2]" 1
681 1 42 ASP HA 1 45 ALA MB 4.000 . 4.750 2.558 2.421 2.701 . 0 0 "[ . 1 . 2]" 1
682 1 43 ASP HA 1 46 SER QB 3.000 . 3.500 2.304 2.106 2.581 . 0 0 "[ . 1 . 2]" 1
683 1 44 LEU HA 1 47 LEU H 4.000 . 4.750 3.580 3.518 3.673 . 0 0 "[ . 1 . 2]" 1
684 1 44 LEU HA 1 47 LEU HB3 5.000 . 6.000 4.881 4.637 5.104 . 0 0 "[ . 1 . 2]" 1
685 1 44 LEU HA 1 47 LEU HB2 4.000 . 4.750 3.978 3.849 4.069 . 0 0 "[ . 1 . 2]" 1
686 1 44 LEU HA 1 47 LEU MD1 5.000 . 6.000 2.174 1.912 2.733 . 0 0 "[ . 1 . 2]" 1
687 1 44 LEU MD2 1 47 LEU HB2 5.000 . 6.000 3.505 3.350 3.658 . 0 0 "[ . 1 . 2]" 1
688 1 44 LEU MD2 1 47 LEU HG 5.000 . 6.000 3.108 2.932 3.538 . 0 0 "[ . 1 . 2]" 1
689 1 44 LEU MD2 1 47 LEU MD1 5.000 . 6.000 2.484 1.911 3.085 . 0 0 "[ . 1 . 2]" 1
690 1 45 ALA HA 1 48 LYS H 4.000 . 4.750 3.393 3.311 3.460 . 0 0 "[ . 1 . 2]" 1
691 1 50 PRO HB2 1 53 PHE QD 3.000 . 3.500 2.042 1.919 2.598 . 0 0 "[ . 1 . 2]" 1
692 1 50 PRO HB2 1 53 PHE QE 4.000 . 4.750 3.554 3.217 3.846 . 0 0 "[ . 1 . 2]" 1
693 1 50 PRO HG3 1 53 PHE QD 5.000 . 6.000 3.573 3.507 3.835 . 0 0 "[ . 1 . 2]" 1
694 1 50 PRO HG2 1 53 PHE QD 4.000 . 4.750 2.024 1.954 2.329 . 0 0 "[ . 1 . 2]" 1
695 1 50 PRO HG2 1 53 PHE QE 4.000 . 4.750 2.671 2.279 2.989 . 0 0 "[ . 1 . 2]" 1
696 1 50 PRO HD3 1 53 PHE QD 4.000 . 4.750 3.710 3.517 4.015 . 0 0 "[ . 1 . 2]" 1
697 1 50 PRO HD2 1 53 PHE QD 3.000 . 3.500 2.274 1.967 2.717 . 0 0 "[ . 1 . 2]" 1
698 1 50 PRO HD2 1 53 PHE QE 5.000 . 6.000 4.232 3.828 4.712 . 0 0 "[ . 1 . 2]" 1
699 1 51 GLU HA 1 54 ARG H 4.000 . 4.750 3.453 3.169 3.649 . 0 0 "[ . 1 . 2]" 1
700 1 51 GLU HA 1 54 ARG HE 4.000 . 4.750 2.834 2.067 4.282 . 0 0 "[ . 1 . 2]" 1
701 1 51 GLU HA 1 54 ARG QD 3.000 . 3.500 2.476 1.854 3.122 . 0 0 "[ . 1 . 2]" 1
702 1 53 PHE HA 1 56 ALA MB 5.000 . 6.000 2.982 2.472 3.355 . 0 0 "[ . 1 . 2]" 1
703 1 53 PHE QD 1 56 ALA MB 5.000 . 6.000 4.033 3.732 4.454 . 0 0 "[ . 1 . 2]" 1
704 1 54 ARG HA 1 57 ILE H 4.000 . 4.750 3.677 3.485 3.826 . 0 0 "[ . 1 . 2]" 1
705 1 54 ARG HA 1 57 ILE HB 3.000 . 3.500 2.645 2.347 3.098 . 0 0 "[ . 1 . 2]" 1
706 1 54 ARG HA 1 57 ILE MG 5.000 . 6.000 4.016 3.781 4.439 . 0 0 "[ . 1 . 2]" 1
707 1 55 HIS HA 1 58 TRP H 4.000 . 4.750 3.695 3.621 3.740 . 0 0 "[ . 1 . 2]" 1
708 1 55 HIS HA 1 58 TRP HB3 3.000 . 3.500 2.747 2.533 2.940 . 0 0 "[ . 1 . 2]" 1
709 1 55 HIS HA 1 58 TRP HB2 3.000 . 3.500 3.513 3.502 3.522 0.022 12 0 "[ . 1 . 2]" 1
710 1 55 HIS HA 1 58 TRP HE3 4.000 . 4.750 3.192 2.865 3.669 . 0 0 "[ . 1 . 2]" 1
711 1 55 HIS QB 1 58 TRP H 5.000 . 6.000 5.008 4.971 5.074 . 0 0 "[ . 1 . 2]" 1
712 1 56 ALA HA 1 59 LYS QB 4.000 . 4.750 2.719 2.589 2.860 . 0 0 "[ . 1 . 2]" 1
713 1 57 ILE HA 1 60 GLY H 4.000 . 4.750 3.412 3.366 3.477 . 0 0 "[ . 1 . 2]" 1
714 1 57 ILE HA 1 60 GLY QA 4.000 . 4.750 3.799 3.705 3.945 . 0 0 "[ . 1 . 2]" 1
715 1 58 TRP HA 1 61 ILE H 4.000 . 4.750 3.426 3.353 3.503 . 0 0 "[ . 1 . 2]" 1
716 1 58 TRP HA 1 61 ILE HB 4.000 . 4.750 3.010 2.907 3.149 . 0 0 "[ . 1 . 2]" 1
717 1 58 TRP HA 1 61 ILE QG 4.000 . 4.750 2.817 2.677 3.082 . 0 0 "[ . 1 . 2]" 1
718 1 58 TRP HD1 1 61 ILE HB 5.000 . 6.000 3.413 2.983 3.958 . 0 0 "[ . 1 . 2]" 1
719 1 58 TRP HD1 1 61 ILE MG 5.000 . 6.000 3.994 3.629 4.472 . 0 0 "[ . 1 . 2]" 1
720 1 58 TRP HD1 1 61 ILE QG 4.000 . 4.750 3.886 3.677 4.236 . 0 0 "[ . 1 . 2]" 1
721 1 59 LYS HA 1 62 LEU H 4.000 . 4.750 3.491 3.398 3.699 . 0 0 "[ . 1 . 2]" 1
722 1 59 LYS HA 1 62 LEU HB3 4.000 . 4.750 4.203 4.017 4.604 . 0 0 "[ . 1 . 2]" 1
723 1 59 LYS HA 1 62 LEU HB2 3.000 . 3.500 2.642 2.502 2.960 . 0 0 "[ . 1 . 2]" 1
724 1 59 LYS HA 1 62 LEU MD1 4.000 . 4.750 2.623 2.161 3.207 . 0 0 "[ . 1 . 2]" 1
725 1 60 GLY QA 1 63 ASP H 5.000 . 6.000 3.517 3.408 3.621 . 0 0 "[ . 1 . 2]" 1
726 1 60 GLY QA 1 63 ASP QB 4.000 . 4.750 2.823 2.558 3.020 . 0 0 "[ . 1 . 2]" 1
727 1 61 ILE HA 1 64 HIS H 4.000 . 4.750 3.578 3.477 3.672 . 0 0 "[ . 1 . 2]" 1
728 1 61 ILE HA 1 64 HIS HB3 3.000 . 3.500 3.331 2.939 3.504 0.004 11 0 "[ . 1 . 2]" 1
729 1 61 ILE HA 1 64 HIS HB2 3.000 . 3.500 3.353 3.058 3.503 0.003 3 0 "[ . 1 . 2]" 1
730 1 62 LEU HA 1 65 ARG H 4.000 . 4.750 3.376 3.153 3.568 . 0 0 "[ . 1 . 2]" 1
731 1 62 LEU HA 1 65 ARG QB 3.000 . 3.500 2.769 2.334 3.118 . 0 0 "[ . 1 . 2]" 1
732 1 62 LEU HA 1 65 ARG QD 5.000 . 6.000 3.436 2.630 3.950 . 0 0 "[ . 1 . 2]" 1
733 1 62 LEU HG 1 65 ARG QD 5.000 . 6.000 4.887 4.291 5.225 . 0 0 "[ . 1 . 2]" 1
734 1 62 LEU MD2 1 65 ARG QD 5.000 . 6.000 3.193 2.693 3.809 . 0 0 "[ . 1 . 2]" 1
735 1 63 ASP HA 1 66 GLN QB 4.000 . 4.750 3.016 2.573 3.608 . 0 0 "[ . 1 . 2]" 1
736 1 63 ASP HA 1 66 GLN QG 5.000 . 6.000 3.005 2.093 4.229 . 0 0 "[ . 1 . 2]" 1
737 1 64 HIS HA 1 67 LEU MD1 5.000 . 6.000 2.491 1.923 3.206 . 0 0 "[ . 1 . 2]" 1
738 1 9 ILE MG 1 13 LEU H 5.000 . 6.000 3.384 3.251 3.520 . 0 0 "[ . 1 . 2]" 1
739 1 9 ILE MG 1 13 LEU HB2 5.000 . 6.000 3.112 2.929 3.427 . 0 0 "[ . 1 . 2]" 1
740 1 9 ILE MG 1 13 LEU HG 4.000 . 4.750 1.931 1.877 1.963 . 0 0 "[ . 1 . 2]" 1
741 1 9 ILE MG 1 13 LEU MD1 5.000 . 6.000 1.839 1.781 1.901 0.019 6 0 "[ . 1 . 2]" 1
742 1 9 ILE MG 1 13 LEU MD2 5.000 . 6.000 3.171 2.877 3.314 . 0 0 "[ . 1 . 2]" 1
743 1 10 VAL MG1 1 14 ALA MB 5.000 . 6.000 3.269 3.072 3.390 . 0 0 "[ . 1 . 2]" 1
744 1 12 PHE HA 1 16 LEU H 5.000 . 6.000 5.023 4.847 5.126 . 0 0 "[ . 1 . 2]" 1
745 1 12 PHE HZ 1 16 LEU MD1 5.000 . 6.000 3.016 2.725 3.267 . 0 0 "[ . 1 . 2]" 1
746 1 12 PHE QD 1 16 LEU MD1 5.000 . 6.000 2.984 2.679 3.342 . 0 0 "[ . 1 . 2]" 1
747 1 12 PHE QE 1 16 LEU MD1 4.000 . 4.750 2.096 1.898 2.484 . 0 0 "[ . 1 . 2]" 1
748 1 12 PHE QE 1 16 LEU MD2 4.000 . 4.750 3.280 2.989 3.523 . 0 0 "[ . 1 . 2]" 1
749 1 13 LEU HA 1 17 GLY H 5.000 . 6.000 4.218 4.131 4.535 . 0 0 "[ . 1 . 2]" 1
750 1 21 CYS QB 1 25 PHE QD 5.000 . 6.000 3.602 3.555 3.661 . 0 0 "[ . 1 . 2]" 1
751 1 21 CYS QB 1 25 PHE QE 3.000 . 3.500 2.784 2.781 2.790 . 0 0 "[ . 1 . 2]" 1
752 1 22 LEU MD1 1 26 THR MG 5.000 . 6.000 4.107 3.987 4.163 . 0 0 "[ . 1 . 2]" 1
753 1 22 LEU MD2 1 26 THR MG 5.000 . 6.000 2.209 1.945 2.428 . 0 0 "[ . 1 . 2]" 1
754 1 23 ASP HA 1 27 THR H 5.000 . 6.000 3.845 3.776 3.968 . 0 0 "[ . 1 . 2]" 1
755 1 23 ASP HA 1 27 THR MG 5.000 . 6.000 3.730 3.522 4.213 . 0 0 "[ . 1 . 2]" 1
756 1 23 ASP QB 1 27 THR MG 4.000 . 4.750 3.301 3.162 3.526 . 0 0 "[ . 1 . 2]" 1
757 1 26 THR HA 1 30 LEU H 4.000 . 4.750 2.912 2.618 3.391 . 0 0 "[ . 1 . 2]" 1
758 1 33 ILE MG 1 37 GLU QB 5.000 . 6.000 3.987 3.728 4.455 . 0 0 "[ . 1 . 2]" 1
759 1 39 TYR HA 1 43 ASP QB 4.000 . 4.750 3.250 3.145 3.348 . 0 0 "[ . 1 . 2]" 1
760 1 39 TYR QD 1 43 ASP QB 4.000 . 4.750 2.902 2.721 2.991 . 0 0 "[ . 1 . 2]" 1
761 1 39 TYR QE 1 43 ASP QB 5.000 . 6.000 3.000 2.810 3.086 . 0 0 "[ . 1 . 2]" 1
762 1 40 SER H 1 44 LEU HG 5.000 . 6.000 6.013 6.002 6.029 0.029 18 0 "[ . 1 . 2]" 1
763 1 42 ASP HA 1 46 SER H 4.000 . 4.750 4.140 4.091 4.195 . 0 0 "[ . 1 . 2]" 1
764 1 45 ALA HA 1 49 ILE H 4.000 . 4.750 2.966 2.927 3.009 . 0 0 "[ . 1 . 2]" 1
765 1 49 ILE MG 1 53 PHE HB3 4.000 . 4.750 2.930 2.503 3.873 . 0 0 "[ . 1 . 2]" 1
766 1 49 ILE MG 1 53 PHE HB2 4.000 . 4.750 2.219 2.011 2.705 . 0 0 "[ . 1 . 2]" 1
767 1 49 ILE MG 1 53 PHE QD 5.000 . 6.000 3.516 3.224 3.785 . 0 0 "[ . 1 . 2]" 1
768 1 50 PRO HB3 1 54 ARG H 5.000 . 6.000 5.349 5.125 5.569 . 0 0 "[ . 1 . 2]" 1
769 1 53 PHE HA 1 57 ILE H 5.000 . 6.000 3.945 3.763 4.139 . 0 0 "[ . 1 . 2]" 1
770 1 53 PHE HB3 1 57 ILE MD 3.000 . 3.500 2.270 1.970 2.742 . 0 0 "[ . 1 . 2]" 1
771 1 53 PHE HB2 1 57 ILE MD 5.000 . 6.000 3.197 2.636 3.608 . 0 0 "[ . 1 . 2]" 1
772 1 53 PHE QD 1 57 ILE MD 5.000 . 6.000 3.949 3.505 4.289 . 0 0 "[ . 1 . 2]" 1
773 1 54 ARG HA 1 58 TRP H 5.000 . 6.000 3.512 3.403 3.742 . 0 0 "[ . 1 . 2]" 1
774 1 57 ILE HA 1 61 ILE H 5.000 . 6.000 4.374 4.305 4.406 . 0 0 "[ . 1 . 2]" 1
775 1 57 ILE HA 1 61 ILE QG 4.000 . 4.750 4.126 4.006 4.223 . 0 0 "[ . 1 . 2]" 1
776 1 57 ILE MG 1 61 ILE H 5.000 . 6.000 4.049 3.925 4.124 . 0 0 "[ . 1 . 2]" 1
777 1 58 TRP HD1 1 62 LEU MD1 5.000 . 6.000 4.103 3.567 4.700 . 0 0 "[ . 1 . 2]" 1
778 1 58 TRP HD1 1 62 LEU MD2 5.000 . 6.000 4.937 4.409 4.999 . 0 0 "[ . 1 . 2]" 1
779 1 58 TRP HE1 1 62 LEU MD1 5.000 . 6.000 3.480 3.091 4.161 . 0 0 "[ . 1 . 2]" 1
780 1 58 TRP HE1 1 62 LEU MD2 5.000 . 6.000 3.590 3.077 3.803 . 0 0 "[ . 1 . 2]" 1
781 1 58 TRP HE3 1 62 LEU HG 5.000 . 6.000 5.661 4.734 5.999 . 0 0 "[ . 1 . 2]" 1
782 1 58 TRP HE3 1 62 LEU MD1 5.000 . 6.000 3.492 2.794 3.948 . 0 0 "[ . 1 . 2]" 1
783 1 58 TRP HZ2 1 62 LEU MD1 5.000 . 6.000 2.986 2.661 3.635 . 0 0 "[ . 1 . 2]" 1
784 1 58 TRP HZ2 1 62 LEU MD2 5.000 . 6.000 3.415 3.148 3.646 . 0 0 "[ . 1 . 2]" 1
785 1 58 TRP HH2 1 62 LEU MD1 5.000 . 6.000 3.359 2.825 3.930 . 0 0 "[ . 1 . 2]" 1
786 1 58 TRP HH2 1 62 LEU MD2 5.000 . 6.000 4.547 3.922 4.927 . 0 0 "[ . 1 . 2]" 1
787 1 62 LEU HA 1 66 GLN QG 5.000 . 6.000 4.675 3.733 5.346 . 0 0 "[ . 1 . 2]" 1
788 1 6 ASP QB 1 33 ILE MG 5.000 . 6.000 4.410 4.018 4.474 . 0 0 "[ . 1 . 2]" 1
789 1 6 ASP QB 1 34 TYR QE 4.000 . 4.750 2.447 1.823 3.558 . 0 0 "[ . 1 . 2]" 1
790 1 7 CYS HA 1 33 ILE MG 5.000 . 6.000 3.663 3.268 3.888 . 0 0 "[ . 1 . 2]" 1
791 1 7 CYS HA 1 33 ILE MD 5.000 . 6.000 5.017 4.890 5.056 . 0 0 "[ . 1 . 2]" 1
792 1 8 SER HA 1 32 THR HA 5.000 . 6.000 2.004 1.935 2.085 . 0 0 "[ . 1 . 2]" 1
793 1 8 SER HA 1 32 THR MG 5.000 . 6.000 3.714 3.579 3.915 . 0 0 "[ . 1 . 2]" 1
794 1 8 SER QB 1 32 THR MG 5.000 . 6.000 3.989 3.784 4.198 . 0 0 "[ . 1 . 2]" 1
795 1 8 SER HA 1 33 ILE H 5.000 . 6.000 2.412 2.199 2.522 . 0 0 "[ . 1 . 2]" 1
796 1 8 SER H 1 34 TYR H 5.000 . 6.000 6.057 6.018 6.078 0.078 12 0 "[ . 1 . 2]" 1
797 1 9 ILE MG 1 22 LEU HA 5.000 . 6.000 2.675 2.475 2.943 . 0 0 "[ . 1 . 2]" 1
798 1 9 ILE MG 1 22 LEU MD1 5.000 . 6.000 1.815 1.781 1.864 0.019 4 0 "[ . 1 . 2]" 1
799 1 9 ILE MG 1 22 LEU MD2 5.000 . 6.000 3.724 3.509 3.934 . 0 0 "[ . 1 . 2]" 1
800 1 9 ILE QG 1 22 LEU MD2 5.000 . 6.000 4.462 4.459 4.467 . 0 0 "[ . 1 . 2]" 1
801 1 9 ILE MG 1 25 PHE HB3 5.000 . 6.000 3.466 3.263 3.682 . 0 0 "[ . 1 . 2]" 1
802 1 9 ILE MG 1 25 PHE HB2 5.000 . 6.000 2.998 2.847 3.298 . 0 0 "[ . 1 . 2]" 1
803 1 9 ILE MG 1 25 PHE QD 5.000 . 6.000 2.161 1.923 2.371 . 0 0 "[ . 1 . 2]" 1
804 1 9 ILE MG 1 25 PHE QE 5.000 . 6.000 2.913 2.560 3.105 . 0 0 "[ . 1 . 2]" 1
805 1 9 ILE MD 1 25 PHE HB3 4.000 . 4.750 3.845 3.577 3.962 . 0 0 "[ . 1 . 2]" 1
806 1 9 ILE MD 1 25 PHE HB2 5.000 . 6.000 4.441 4.220 4.544 . 0 0 "[ . 1 . 2]" 1
807 1 9 ILE MD 1 30 LEU HB2 5.000 . 6.000 4.307 3.976 4.567 . 0 0 "[ . 1 . 2]" 1
808 1 9 ILE H 1 31 THR HA 5.000 . 6.000 4.223 4.001 4.456 . 0 0 "[ . 1 . 2]" 1
809 1 9 ILE HB 1 31 THR HA 4.000 . 4.750 3.498 3.268 3.782 . 0 0 "[ . 1 . 2]" 1
810 1 9 ILE MG 1 31 THR HA 5.000 . 6.000 4.419 4.227 4.668 . 0 0 "[ . 1 . 2]" 1
811 1 9 ILE MD 1 31 THR HA 5.000 . 6.000 4.537 4.439 4.628 . 0 0 "[ . 1 . 2]" 1
812 1 9 ILE H 1 32 THR HA 4.000 . 4.750 2.477 2.248 2.667 . 0 0 "[ . 1 . 2]" 1
813 1 9 ILE MD 1 32 THR HA 5.000 . 6.000 3.794 3.638 3.927 . 0 0 "[ . 1 . 2]" 1
814 1 9 ILE QG 1 32 THR HA 4.000 . 4.750 2.680 2.519 2.858 . 0 0 "[ . 1 . 2]" 1
815 1 9 ILE HA 1 33 ILE MG 5.000 . 6.000 4.819 4.063 4.994 . 0 0 "[ . 1 . 2]" 1
816 1 9 ILE HA 1 33 ILE MD 5.000 . 6.000 4.429 4.254 4.603 . 0 0 "[ . 1 . 2]" 1
817 1 9 ILE MD 1 33 ILE HA 5.000 . 6.000 1.795 1.767 1.813 0.033 14 0 "[ . 1 . 2]" 1
818 1 9 ILE MD 1 33 ILE MG 5.000 . 6.000 3.964 3.737 4.061 . 0 0 "[ . 1 . 2]" 1
819 1 9 ILE MD 1 33 ILE MD 5.000 . 6.000 3.992 3.879 4.111 . 0 0 "[ . 1 . 2]" 1
820 1 9 ILE MD 1 35 GLN QB 5.000 . 6.000 3.774 3.629 3.964 . 0 0 "[ . 1 . 2]" 1
821 1 10 VAL HA 1 22 LEU MD1 3.000 . 3.500 1.866 1.816 1.908 . 0 0 "[ . 1 . 2]" 1
822 1 10 VAL HA 1 22 LEU MD2 4.000 . 4.750 3.418 3.294 3.720 . 0 0 "[ . 1 . 2]" 1
823 1 10 VAL HB 1 22 LEU MD1 4.000 . 4.750 3.770 3.506 3.947 . 0 0 "[ . 1 . 2]" 1
824 1 10 VAL MG2 1 22 LEU HG 5.000 . 6.000 3.687 3.589 3.869 . 0 0 "[ . 1 . 2]" 1
825 1 10 VAL MG2 1 22 LEU MD1 4.000 . 4.750 2.004 1.766 2.280 0.034 6 0 "[ . 1 . 2]" 1
826 1 10 VAL MG2 1 22 LEU MD2 4.000 . 4.750 1.948 1.819 2.059 . 0 0 "[ . 1 . 2]" 1
827 1 12 PHE HB3 1 33 ILE MG 5.000 . 6.000 4.404 3.597 4.579 . 0 0 "[ . 1 . 2]" 1
828 1 12 PHE HB3 1 33 ILE MD 5.000 . 6.000 3.412 3.263 3.603 . 0 0 "[ . 1 . 2]" 1
829 1 12 PHE HB2 1 33 ILE MG 5.000 . 6.000 3.497 2.840 3.664 . 0 0 "[ . 1 . 2]" 1
830 1 12 PHE HB2 1 33 ILE MD 5.000 . 6.000 2.183 1.937 2.425 . 0 0 "[ . 1 . 2]" 1
831 1 12 PHE QD 1 33 ILE MG 5.000 . 6.000 4.391 3.968 4.470 . 0 0 "[ . 1 . 2]" 1
832 1 12 PHE QD 1 33 ILE MD 5.000 . 6.000 2.592 2.378 2.674 . 0 0 "[ . 1 . 2]" 1
833 1 12 PHE QE 1 33 ILE MD 5.000 . 6.000 3.090 2.836 3.255 . 0 0 "[ . 1 . 2]" 1
834 1 12 PHE QD 1 36 ILE MD 4.000 . 4.750 3.215 2.956 3.403 . 0 0 "[ . 1 . 2]" 1
835 1 12 PHE QE 1 36 ILE MD 4.000 . 4.750 2.345 2.036 2.554 . 0 0 "[ . 1 . 2]" 1
836 1 12 PHE HZ 1 57 ILE MG 5.000 . 6.000 1.988 1.900 2.053 . 0 0 "[ . 1 . 2]" 1
837 1 12 PHE QE 1 57 ILE MG 4.000 . 4.750 2.121 1.987 2.393 . 0 0 "[ . 1 . 2]" 1
838 1 12 PHE HZ 1 60 GLY QA 4.000 . 4.750 3.212 2.973 3.436 . 0 0 "[ . 1 . 2]" 1
839 1 12 PHE QE 1 60 GLY QA 4.000 . 4.750 2.045 1.949 2.371 . 0 0 "[ . 1 . 2]" 1
840 1 12 PHE HZ 1 61 ILE H 4.000 . 4.750 3.097 2.920 3.277 . 0 0 "[ . 1 . 2]" 1
841 1 12 PHE HZ 1 61 ILE HA 4.000 . 4.750 4.326 4.114 4.643 . 0 0 "[ . 1 . 2]" 1
842 1 12 PHE HZ 1 61 ILE MD 5.000 . 6.000 2.632 2.248 3.451 . 0 0 "[ . 1 . 2]" 1
843 1 13 LEU MD2 1 18 CYS QB 4.000 . 4.750 2.129 1.899 3.527 . 0 0 "[ . 1 . 2]" 1
844 1 13 LEU HB3 1 19 SER HA 3.000 . 3.500 2.340 2.059 2.664 . 0 0 "[ . 1 . 2]" 1
845 1 13 LEU HB3 1 19 SER QB 4.000 . 4.750 3.993 3.594 4.238 . 0 0 "[ . 1 . 2]" 1
846 1 13 LEU HB2 1 19 SER HA 3.000 . 3.500 2.718 2.385 2.986 . 0 0 "[ . 1 . 2]" 1
847 1 13 LEU MD1 1 19 SER HA 4.000 . 4.750 2.516 2.221 2.777 . 0 0 "[ . 1 . 2]" 1
848 1 13 LEU MD2 1 19 SER HA 5.000 . 6.000 4.070 3.804 4.499 . 0 0 "[ . 1 . 2]" 1
849 1 13 LEU MD1 1 21 CYS H 5.000 . 6.000 3.107 2.930 3.402 . 0 0 "[ . 1 . 2]" 1
850 1 13 LEU MD1 1 21 CYS QB 5.000 . 6.000 2.043 1.908 2.263 . 0 0 "[ . 1 . 2]" 1
851 1 13 LEU MD2 1 21 CYS H 5.000 . 6.000 4.240 3.639 4.751 . 0 0 "[ . 1 . 2]" 1
852 1 13 LEU MD2 1 21 CYS QB 5.000 . 6.000 2.710 1.990 3.140 . 0 0 "[ . 1 . 2]" 1
853 1 13 LEU MD1 1 22 LEU HA 4.000 . 4.750 2.570 2.316 2.719 . 0 0 "[ . 1 . 2]" 1
854 1 13 LEU MD1 1 22 LEU HB3 5.000 . 6.000 3.986 3.729 4.116 . 0 0 "[ . 1 . 2]" 1
855 1 13 LEU MD1 1 22 LEU MD1 5.000 . 6.000 1.870 1.809 1.916 . 0 0 "[ . 1 . 2]" 1
856 1 13 LEU MD1 1 22 LEU MD2 5.000 . 6.000 4.087 3.904 4.171 . 0 0 "[ . 1 . 2]" 1
857 1 13 LEU MD1 1 25 PHE H 5.000 . 6.000 4.703 4.481 4.813 . 0 0 "[ . 1 . 2]" 1
858 1 13 LEU MD1 1 25 PHE QD 5.000 . 6.000 2.281 2.096 2.463 . 0 0 "[ . 1 . 2]" 1
859 1 13 LEU MD1 1 25 PHE QE 4.000 . 4.750 2.198 1.943 2.460 . 0 0 "[ . 1 . 2]" 1
860 1 13 LEU MD2 1 25 PHE QE 3.000 . 3.500 2.419 2.084 2.588 . 0 0 "[ . 1 . 2]" 1
861 1 13 LEU MD2 1 57 ILE HA 5.000 . 6.000 3.541 3.376 3.757 . 0 0 "[ . 1 . 2]" 1
862 1 13 LEU MD2 1 57 ILE MG 5.000 . 6.000 2.310 1.908 2.601 . 0 0 "[ . 1 . 2]" 1
863 1 13 LEU MD2 1 57 ILE MD 5.000 . 6.000 2.096 1.839 2.485 . 0 0 "[ . 1 . 2]" 1
864 1 14 ALA MB 1 19 SER QB 5.000 . 6.000 3.583 3.081 4.178 . 0 0 "[ . 1 . 2]" 1
865 1 16 LEU HB2 1 57 ILE QG 4.000 . 4.750 4.240 4.233 4.247 . 0 0 "[ . 1 . 2]" 1
866 1 16 LEU MD1 1 57 ILE HA 4.000 . 4.750 2.447 2.274 2.597 . 0 0 "[ . 1 . 2]" 1
867 1 16 LEU MD1 1 57 ILE QG 5.000 . 6.000 2.970 2.633 3.218 . 0 0 "[ . 1 . 2]" 1
868 1 16 LEU MD2 1 57 ILE HA 5.000 . 6.000 4.190 3.523 4.675 . 0 0 "[ . 1 . 2]" 1
869 1 16 LEU MD1 1 60 GLY H 5.000 . 6.000 3.658 3.209 4.074 . 0 0 "[ . 1 . 2]" 1
870 1 16 LEU MD1 1 60 GLY QA 4.000 . 4.750 2.658 2.253 3.070 . 0 0 "[ . 1 . 2]" 1
871 1 16 LEU MD2 1 60 GLY H 5.000 . 6.000 4.080 3.397 4.611 . 0 0 "[ . 1 . 2]" 1
872 1 16 LEU MD2 1 60 GLY QA 4.000 . 4.750 2.988 2.669 3.300 . 0 0 "[ . 1 . 2]" 1
873 1 18 CYS QB 1 57 ILE MD 5.000 . 6.000 3.009 2.708 3.615 . 0 0 "[ . 1 . 2]" 1
874 1 21 CYS QB 1 57 ILE MD 5.000 . 6.000 2.285 2.113 2.492 . 0 0 "[ . 1 . 2]" 1
875 1 24 TYR HB3 1 47 LEU HB3 4.000 . 4.750 3.704 3.083 4.014 . 0 0 "[ . 1 . 2]" 1
876 1 24 TYR QD 1 48 LYS QB 3.000 . 3.500 2.358 2.053 2.782 . 0 0 "[ . 1 . 2]" 1
877 1 24 TYR QE 1 48 LYS QB 4.000 . 4.750 3.716 3.421 3.774 . 0 0 "[ . 1 . 2]" 1
878 1 24 TYR HB3 1 49 ILE MG 5.000 . 6.000 4.894 4.780 5.000 . 0 0 "[ . 1 . 2]" 1
879 1 24 TYR HB3 1 49 ILE MD 5.000 . 6.000 2.290 2.133 2.492 . 0 0 "[ . 1 . 2]" 1
880 1 24 TYR HB3 1 49 ILE QG 5.000 . 6.000 2.482 2.273 2.651 . 0 0 "[ . 1 . 2]" 1
881 1 24 TYR HB2 1 49 ILE MD 5.000 . 6.000 2.044 1.935 2.448 . 0 0 "[ . 1 . 2]" 1
882 1 24 TYR QD 1 49 ILE H 5.000 . 6.000 4.778 4.665 4.929 . 0 0 "[ . 1 . 2]" 1
883 1 24 TYR QD 1 49 ILE MG 5.000 . 6.000 3.634 3.494 3.823 . 0 0 "[ . 1 . 2]" 1
884 1 24 TYR QD 1 49 ILE MD 5.000 . 6.000 3.450 3.307 3.825 . 0 0 "[ . 1 . 2]" 1
885 1 24 TYR QD 1 49 ILE QG 5.000 . 6.000 2.184 2.048 2.568 . 0 0 "[ . 1 . 2]" 1
886 1 24 TYR QE 1 49 ILE HA 4.000 . 4.750 3.818 3.593 3.956 . 0 0 "[ . 1 . 2]" 1
887 1 24 TYR QE 1 49 ILE MG 5.000 . 6.000 4.238 4.054 4.453 . 0 0 "[ . 1 . 2]" 1
888 1 24 TYR QE 1 50 PRO HG3 5.000 . 6.000 4.464 3.881 4.796 . 0 0 "[ . 1 . 2]" 1
889 1 24 TYR QE 1 50 PRO HG2 4.000 . 4.750 3.922 3.204 4.235 . 0 0 "[ . 1 . 2]" 1
890 1 24 TYR QE 1 50 PRO HD3 4.000 . 4.750 3.271 2.834 3.563 . 0 0 "[ . 1 . 2]" 1
891 1 24 TYR QE 1 50 PRO HD2 4.000 . 4.750 3.281 2.920 3.487 . 0 0 "[ . 1 . 2]" 1
892 1 25 PHE HA 1 30 LEU HB2 4.000 . 4.750 2.899 2.742 3.236 . 0 0 "[ . 1 . 2]" 1
893 1 25 PHE HA 1 30 LEU MD1 4.000 . 4.750 2.269 1.973 2.400 . 0 0 "[ . 1 . 2]" 1
894 1 25 PHE HA 1 30 LEU MD2 5.000 . 6.000 4.507 4.436 4.648 . 0 0 "[ . 1 . 2]" 1
895 1 25 PHE HB3 1 30 LEU HB2 3.000 . 3.500 2.042 1.932 2.151 . 0 0 "[ . 1 . 2]" 1
896 1 25 PHE HB3 1 30 LEU MD1 5.000 . 6.000 3.207 2.916 3.362 . 0 0 "[ . 1 . 2]" 1
897 1 25 PHE HB2 1 30 LEU HB2 4.000 . 4.750 3.746 3.667 3.843 . 0 0 "[ . 1 . 2]" 1
898 1 25 PHE HB2 1 30 LEU MD1 5.000 . 6.000 4.381 4.072 4.576 . 0 0 "[ . 1 . 2]" 1
899 1 25 PHE QD 1 30 LEU HB3 5.000 . 6.000 3.521 3.218 3.963 . 0 0 "[ . 1 . 2]" 1
900 1 25 PHE QD 1 30 LEU HB2 4.000 . 4.750 2.702 2.536 2.940 . 0 0 "[ . 1 . 2]" 1
901 1 25 PHE QD 1 30 LEU MD1 5.000 . 6.000 2.260 1.869 2.591 . 0 0 "[ . 1 . 2]" 1
902 1 25 PHE QD 1 30 LEU MD2 5.000 . 6.000 3.313 3.093 3.566 . 0 0 "[ . 1 . 2]" 1
903 1 25 PHE QE 1 30 LEU HB2 5.000 . 6.000 4.873 4.746 5.050 . 0 0 "[ . 1 . 2]" 1
904 1 25 PHE QE 1 30 LEU MD2 5.000 . 6.000 4.177 3.923 4.462 . 0 0 "[ . 1 . 2]" 1
905 1 25 PHE QD 1 36 ILE MG 4.000 . 4.750 3.065 3.000 3.160 . 0 0 "[ . 1 . 2]" 1
906 1 25 PHE QD 1 36 ILE MD 4.000 . 4.750 3.413 3.251 3.525 . 0 0 "[ . 1 . 2]" 1
907 1 25 PHE QE 1 36 ILE HB 4.000 . 4.750 4.225 4.127 4.243 . 0 0 "[ . 1 . 2]" 1
908 1 25 PHE QE 1 36 ILE MG 4.000 . 4.750 2.965 2.715 3.256 . 0 0 "[ . 1 . 2]" 1
909 1 25 PHE QE 1 36 ILE MD 4.000 . 4.750 2.613 2.489 2.804 . 0 0 "[ . 1 . 2]" 1
910 1 25 PHE QE 1 39 TYR QD 4.000 . 4.750 3.230 3.050 3.409 . 0 0 "[ . 1 . 2]" 1
911 1 25 PHE QE 1 39 TYR QE 4.000 . 4.750 3.653 3.368 3.778 . 0 0 "[ . 1 . 2]" 1
912 1 25 PHE QD 1 44 LEU MD2 5.000 . 6.000 4.006 3.872 4.134 . 0 0 "[ . 1 . 2]" 1
913 1 25 PHE QE 1 44 LEU MD1 5.000 . 6.000 3.875 3.749 4.023 . 0 0 "[ . 1 . 2]" 1
914 1 25 PHE QE 1 44 LEU MD2 3.000 . 3.500 2.493 2.308 2.603 . 0 0 "[ . 1 . 2]" 1
915 1 25 PHE HA 1 47 LEU MD1 5.000 . 6.000 2.585 1.989 2.804 . 0 0 "[ . 1 . 2]" 1
916 1 25 PHE HA 1 47 LEU MD2 5.000 . 6.000 4.024 3.833 4.156 . 0 0 "[ . 1 . 2]" 1
917 1 25 PHE QD 1 47 LEU MD1 5.000 . 6.000 1.871 1.811 1.948 . 0 0 "[ . 1 . 2]" 1
918 1 25 PHE QE 1 47 LEU HG 4.000 . 4.750 4.210 4.138 4.247 . 0 0 "[ . 1 . 2]" 1
919 1 25 PHE QE 1 47 LEU MD1 4.000 . 4.750 2.014 1.906 2.210 . 0 0 "[ . 1 . 2]" 1
920 1 25 PHE QD 1 49 ILE MD 5.000 . 6.000 3.154 3.102 3.222 . 0 0 "[ . 1 . 2]" 1
921 1 25 PHE QE 1 49 ILE MG 5.000 . 6.000 4.188 4.002 4.363 . 0 0 "[ . 1 . 2]" 1
922 1 25 PHE QE 1 49 ILE MD 3.000 . 3.500 2.603 2.539 2.615 . 0 0 "[ . 1 . 2]" 1
923 1 25 PHE QE 1 57 ILE MG 3.000 . 3.500 2.605 2.594 2.614 . 0 0 "[ . 1 . 2]" 1
924 1 25 PHE QE 1 57 ILE MD 3.000 . 3.500 2.369 1.970 2.597 . 0 0 "[ . 1 . 2]" 1
925 1 26 THR HA 1 31 THR MG 5.000 . 6.000 3.483 2.898 4.880 . 0 0 "[ . 1 . 2]" 1
926 1 26 THR MG 1 31 THR HA 5.000 . 6.000 3.252 2.992 3.548 . 0 0 "[ . 1 . 2]" 1
927 1 26 THR MG 1 31 THR MG 5.000 . 6.000 2.409 1.908 3.138 . 0 0 "[ . 1 . 2]" 1
928 1 28 GLN QB 1 47 LEU MD2 4.000 . 4.750 2.731 2.463 3.019 . 0 0 "[ . 1 . 2]" 1
929 1 28 GLN QG 1 47 LEU MD1 5.000 . 6.000 3.691 3.040 4.453 . 0 0 "[ . 1 . 2]" 1
930 1 28 GLN QG 1 47 LEU MD2 4.000 . 4.750 2.181 1.876 2.805 . 0 0 "[ . 1 . 2]" 1
931 1 30 LEU MD2 1 35 GLN H 5.000 . 6.000 4.947 4.796 5.019 . 0 0 "[ . 1 . 2]" 1
932 1 30 LEU MD2 1 35 GLN QB 4.000 . 4.750 2.246 1.967 2.634 . 0 0 "[ . 1 . 2]" 1
933 1 30 LEU HB3 1 36 ILE MG 5.000 . 6.000 2.564 2.343 2.758 . 0 0 "[ . 1 . 2]" 1
934 1 30 LEU HB2 1 36 ILE MG 5.000 . 6.000 3.524 3.095 3.795 . 0 0 "[ . 1 . 2]" 1
935 1 30 LEU MD1 1 36 ILE MG 5.000 . 6.000 3.056 2.617 3.272 . 0 0 "[ . 1 . 2]" 1
936 1 30 LEU MD2 1 36 ILE MG 5.000 . 6.000 1.657 1.637 1.721 0.163 9 0 "[ . 1 . 2]" 1
937 1 30 LEU MD1 1 39 TYR QD 5.000 . 6.000 4.382 4.043 4.459 . 0 0 "[ . 1 . 2]" 1
938 1 30 LEU MD1 1 39 TYR QE 4.000 . 4.750 2.601 2.389 2.903 . 0 0 "[ . 1 . 2]" 1
939 1 30 LEU MD2 1 39 TYR QE 5.000 . 6.000 2.430 2.306 2.588 . 0 0 "[ . 1 . 2]" 1
940 1 30 LEU MD2 1 43 ASP QB 5.000 . 6.000 4.501 4.492 4.513 . 0 0 "[ . 1 . 2]" 1
941 1 30 LEU MD1 1 47 LEU MD1 5.000 . 6.000 1.823 1.710 2.021 0.090 15 0 "[ . 1 . 2]" 1
942 1 30 LEU MD1 1 47 LEU MD2 5.000 . 6.000 2.016 1.880 2.397 . 0 0 "[ . 1 . 2]" 1
943 1 33 ILE MD 1 61 ILE MD 5.000 . 6.000 2.529 2.154 4.174 . 0 0 "[ . 1 . 2]" 1
944 1 33 ILE MG 1 64 HIS HD2 5.000 . 6.000 3.522 2.644 4.994 . 0 0 "[ . 1 . 2]" 1
945 1 33 ILE MD 1 64 HIS HB2 5.000 . 6.000 3.147 2.765 3.737 . 0 0 "[ . 1 . 2]" 1
946 1 33 ILE MD 1 64 HIS HD2 5.000 . 6.000 3.703 2.740 4.824 . 0 0 "[ . 1 . 2]" 1
947 1 36 ILE HB 1 61 ILE QG 4.000 . 4.750 3.680 3.470 4.242 . 0 0 "[ . 1 . 2]" 1
948 1 36 ILE MD 1 61 ILE QG 5.000 . 6.000 2.407 2.144 2.938 . 0 0 "[ . 1 . 2]" 1
949 1 36 ILE QG 1 61 ILE MG 5.000 . 6.000 2.463 2.217 2.830 . 0 0 "[ . 1 . 2]" 1
950 1 36 ILE QG 1 61 ILE QG 3.000 . 3.500 2.779 2.721 2.792 . 0 0 "[ . 1 . 2]" 1
951 1 37 GLU HA 1 61 ILE MG 4.000 . 4.750 1.932 1.852 2.073 . 0 0 "[ . 1 . 2]" 1
952 1 37 GLU HA 1 61 ILE QG 5.000 . 6.000 4.471 4.186 4.606 . 0 0 "[ . 1 . 2]" 1
953 1 37 GLU HA 1 64 HIS HD2 5.000 . 6.000 4.436 3.968 4.995 . 0 0 "[ . 1 . 2]" 1
954 1 37 GLU QB 1 64 HIS HD2 4.000 . 4.750 3.947 3.582 4.212 . 0 0 "[ . 1 . 2]" 1
955 1 39 TYR QD 1 44 LEU HA 5.000 . 6.000 2.885 2.773 3.012 . 0 0 "[ . 1 . 2]" 1
956 1 39 TYR QD 1 44 LEU HB2 5.000 . 6.000 3.516 3.287 3.627 . 0 0 "[ . 1 . 2]" 1
957 1 39 TYR QD 1 44 LEU HG 5.000 . 6.000 2.753 2.627 2.833 . 0 0 "[ . 1 . 2]" 1
958 1 39 TYR QD 1 44 LEU MD1 5.000 . 6.000 4.099 3.888 4.218 . 0 0 "[ . 1 . 2]" 1
959 1 39 TYR QD 1 44 LEU MD2 5.000 . 6.000 3.838 3.787 3.907 . 0 0 "[ . 1 . 2]" 1
960 1 39 TYR QE 1 44 LEU HA 5.000 . 6.000 3.400 3.141 3.542 . 0 0 "[ . 1 . 2]" 1
961 1 39 TYR QE 1 44 LEU HB2 5.000 . 6.000 5.262 5.001 5.352 . 0 0 "[ . 1 . 2]" 1
962 1 39 TYR QE 1 44 LEU MD2 5.000 . 6.000 4.473 4.465 4.481 . 0 0 "[ . 1 . 2]" 1
963 1 39 TYR QD 1 47 LEU MD1 5.000 . 6.000 2.658 2.297 3.322 . 0 0 "[ . 1 . 2]" 1
964 1 39 TYR QD 1 47 LEU MD2 5.000 . 6.000 3.732 3.421 4.370 . 0 0 "[ . 1 . 2]" 1
965 1 39 TYR QE 1 47 LEU HG 4.000 . 4.750 3.218 2.805 3.451 . 0 0 "[ . 1 . 2]" 1
966 1 39 TYR QE 1 47 LEU MD1 4.000 . 4.750 1.855 1.808 1.889 . 0 0 "[ . 1 . 2]" 1
967 1 39 TYR QE 1 47 LEU MD2 5.000 . 6.000 1.960 1.864 2.423 . 0 0 "[ . 1 . 2]" 1
968 1 39 TYR H 1 61 ILE MG 5.000 . 6.000 2.577 2.294 2.846 . 0 0 "[ . 1 . 2]" 1
969 1 39 TYR H 1 61 ILE QG 5.000 . 6.000 4.493 4.107 5.051 . 0 0 "[ . 1 . 2]" 1
970 1 40 SER HA 1 58 TRP HD1 4.000 . 4.750 3.833 3.535 4.155 . 0 0 "[ . 1 . 2]" 1
971 1 40 SER HA 1 58 TRP HE1 5.000 . 6.000 2.408 1.991 2.747 . 0 0 "[ . 1 . 2]" 1
972 1 40 SER HA 1 58 TRP HZ2 5.000 . 6.000 3.896 3.204 4.648 . 0 0 "[ . 1 . 2]" 1
973 1 41 MET ME 1 54 ARG QD 5.000 . 6.000 2.719 1.816 3.926 . 0 0 "[ . 1 . 2]" 1
974 1 41 MET ME 1 55 HIS HA 5.000 . 6.000 2.214 1.880 3.242 . 0 0 "[ . 1 . 2]" 1
975 1 41 MET ME 1 55 HIS QB 4.000 . 4.750 3.233 2.255 3.530 . 0 0 "[ . 1 . 2]" 1
976 1 41 MET QB 1 55 HIS HD2 4.000 . 4.750 4.238 4.234 4.242 . 0 0 "[ . 1 . 2]" 1
977 1 41 MET H 1 58 TRP HD1 5.000 . 6.000 4.798 4.258 5.027 . 0 0 "[ . 1 . 2]" 1
978 1 41 MET ME 1 58 TRP HB3 5.000 . 6.000 3.157 2.203 4.491 . 0 0 "[ . 1 . 2]" 1
979 1 41 MET ME 1 58 TRP HE3 5.000 . 6.000 2.825 1.974 4.325 . 0 0 "[ . 1 . 2]" 1
980 1 41 MET QB 1 58 TRP HD1 5.000 . 6.000 5.300 5.171 5.354 . 0 0 "[ . 1 . 2]" 1
981 1 44 LEU HA 1 49 ILE H 5.000 . 6.000 4.639 4.617 4.655 . 0 0 "[ . 1 . 2]" 1
982 1 44 LEU HA 1 49 ILE MD 5.000 . 6.000 2.943 2.793 3.009 . 0 0 "[ . 1 . 2]" 1
983 1 44 LEU MD1 1 49 ILE MD 5.000 . 6.000 3.877 3.847 3.917 . 0 0 "[ . 1 . 2]" 1
984 1 44 LEU MD2 1 49 ILE HB 4.000 . 4.750 1.842 1.810 1.880 . 0 0 "[ . 1 . 2]" 1
985 1 44 LEU MD1 1 54 ARG HA 4.000 . 4.750 1.954 1.903 2.269 . 0 0 "[ . 1 . 2]" 1
986 1 44 LEU MD1 1 54 ARG QB 4.000 . 4.750 2.303 1.943 3.525 . 0 0 "[ . 1 . 2]" 1
987 1 44 LEU MD1 1 54 ARG QD 5.000 . 6.000 3.983 3.483 4.276 . 0 0 "[ . 1 . 2]" 1
988 1 44 LEU MD2 1 54 ARG HA 5.000 . 6.000 2.436 2.176 2.688 . 0 0 "[ . 1 . 2]" 1
989 1 44 LEU MD2 1 54 ARG QB 5.000 . 6.000 2.465 1.909 3.177 . 0 0 "[ . 1 . 2]" 1
990 1 44 LEU MD1 1 57 ILE H 5.000 . 6.000 3.915 3.782 4.081 . 0 0 "[ . 1 . 2]" 1
991 1 44 LEU MD1 1 57 ILE HB 5.000 . 6.000 2.060 1.919 2.477 . 0 0 "[ . 1 . 2]" 1
992 1 44 LEU MD1 1 58 TRP H 5.000 . 6.000 2.604 2.423 2.732 . 0 0 "[ . 1 . 2]" 1
993 1 44 LEU MD1 1 58 TRP HA 5.000 . 6.000 2.619 2.498 2.769 . 0 0 "[ . 1 . 2]" 1
994 1 44 LEU MD1 1 58 TRP HB3 5.000 . 6.000 3.532 3.253 3.781 . 0 0 "[ . 1 . 2]" 1
995 1 44 LEU MD1 1 58 TRP HB2 4.000 . 4.750 2.147 1.890 2.377 . 0 0 "[ . 1 . 2]" 1
996 1 44 LEU MD1 1 58 TRP HD1 5.000 . 6.000 3.325 3.123 3.587 . 0 0 "[ . 1 . 2]" 1
997 1 44 LEU HG 1 61 ILE QG 5.000 . 6.000 4.597 4.437 4.932 . 0 0 "[ . 1 . 2]" 1
998 1 44 LEU MD1 1 61 ILE QG 4.000 . 4.750 3.543 3.536 3.551 . 0 0 "[ . 1 . 2]" 1
999 1 45 ALA H 1 54 ARG QD 4.000 . 4.750 3.834 3.250 4.231 . 0 0 "[ . 1 . 2]" 1
1000 1 45 ALA HA 1 54 ARG HE 4.000 . 4.750 3.601 2.453 4.444 . 0 0 "[ . 1 . 2]" 1
1001 1 45 ALA MB 1 54 ARG QD 4.000 . 4.750 2.712 2.164 3.038 . 0 0 "[ . 1 . 2]" 1
1002 1 49 ILE MG 1 54 ARG HE 5.000 . 6.000 3.757 2.932 5.010 . 0 0 "[ . 1 . 2]" 1
1003 1 49 ILE MG 1 54 ARG QB 4.000 . 4.750 1.869 1.801 1.952 . 0 0 "[ . 1 . 2]" 1
1004 1 49 ILE MG 1 54 ARG QD 5.000 . 6.000 3.927 2.813 4.401 . 0 0 "[ . 1 . 2]" 1
1005 1 49 ILE MG 1 57 ILE QG 5.000 . 6.000 3.723 3.506 3.930 . 0 0 "[ . 1 . 2]" 1
1006 1 49 ILE MD 1 57 ILE MD 5.000 . 6.000 3.512 3.300 3.727 . 0 0 "[ . 1 . 2]" 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 74
_Distance_constraint_stats_list.Viol_count 428
_Distance_constraint_stats_list.Viol_total 196.664
_Distance_constraint_stats_list.Viol_max 0.148
_Distance_constraint_stats_list.Viol_rms 0.0179
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0066
_Distance_constraint_stats_list.Viol_average_violations_only 0.0230
_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 7 CYS 0.154 0.049 3 0 "[ . 1 . 2]"
1 8 SER 0.614 0.035 12 0 "[ . 1 . 2]"
1 9 ILE 0.007 0.007 3 0 "[ . 1 . 2]"
1 10 VAL 0.153 0.018 9 0 "[ . 1 . 2]"
1 11 SER 0.957 0.035 12 0 "[ . 1 . 2]"
1 12 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 LEU 0.152 0.021 17 0 "[ . 1 . 2]"
1 14 ALA 0.153 0.018 9 0 "[ . 1 . 2]"
1 15 ARG 0.343 0.027 6 0 "[ . 1 . 2]"
1 16 LEU 0.054 0.010 17 0 "[ . 1 . 2]"
1 18 CYS 0.163 0.021 17 0 "[ . 1 . 2]"
1 19 SER 0.024 0.006 15 0 "[ . 1 . 2]"
1 21 CYS 0.065 0.007 17 0 "[ . 1 . 2]"
1 22 LEU 0.562 0.034 8 0 "[ . 1 . 2]"
1 23 ASP 0.248 0.018 5 0 "[ . 1 . 2]"
1 24 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 PHE 1.027 0.034 8 0 "[ . 1 . 2]"
1 26 THR 0.129 0.025 1 0 "[ . 1 . 2]"
1 27 THR 0.248 0.018 5 0 "[ . 1 . 2]"
1 28 GLN 0.489 0.033 7 0 "[ . 1 . 2]"
1 29 GLY 0.129 0.025 1 0 "[ . 1 . 2]"
1 30 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 THR 0.007 0.007 3 0 "[ . 1 . 2]"
1 32 THR 0.924 0.062 17 0 "[ . 1 . 2]"
1 33 ILE 0.160 0.049 3 0 "[ . 1 . 2]"
1 34 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 GLN 0.924 0.062 17 0 "[ . 1 . 2]"
1 36 ILE 0.006 0.006 14 0 "[ . 1 . 2]"
1 37 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 SER 1.253 0.054 13 0 "[ . 1 . 2]"
1 41 MET 0.420 0.032 5 0 "[ . 1 . 2]"
1 42 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 ASP 1.534 0.054 13 0 "[ . 1 . 2]"
1 44 LEU 3.182 0.148 17 0 "[ . 1 . 2]"
1 45 ALA 0.457 0.032 5 0 "[ . 1 . 2]"
1 46 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 LEU 0.281 0.030 2 0 "[ . 1 . 2]"
1 48 LYS 0.037 0.007 14 0 "[ . 1 . 2]"
1 49 ILE 3.182 0.148 17 0 "[ . 1 . 2]"
1 53 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 HIS 0.056 0.020 3 0 "[ . 1 . 2]"
1 56 ALA 0.512 0.034 14 0 "[ . 1 . 2]"
1 57 ILE 0.220 0.022 10 0 "[ . 1 . 2]"
1 58 TRP 0.004 0.004 13 0 "[ . 1 . 2]"
1 59 LYS 0.079 0.020 3 0 "[ . 1 . 2]"
1 60 GLY 0.512 0.034 14 0 "[ . 1 . 2]"
1 61 ILE 0.220 0.022 10 0 "[ . 1 . 2]"
1 62 LEU 0.004 0.004 13 0 "[ . 1 . 2]"
1 63 ASP 0.023 0.013 3 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 9 ILE H 1 31 THR O 1.950 . 2.100 1.980 1.856 2.107 0.007 3 0 "[ . 1 . 2]" 2
2 1 9 ILE N 1 31 THR O 2.900 . 3.100 2.941 2.825 3.057 . 0 0 "[ . 1 . 2]" 2
3 1 8 SER OG 1 11 SER H 1.950 . 2.100 2.131 2.126 2.135 0.035 12 0 "[ . 1 . 2]" 2
4 1 8 SER OG 1 11 SER N 2.900 . 3.100 3.093 3.085 3.101 0.001 18 0 "[ . 1 . 2]" 2
5 1 8 SER O 1 12 PHE H 1.950 . 2.100 1.791 1.785 1.802 . 0 0 "[ . 1 . 2]" 2
6 1 8 SER O 1 12 PHE N 2.900 . 3.100 2.701 2.681 2.728 . 0 0 "[ . 1 . 2]" 2
7 1 9 ILE O 1 13 LEU H 1.950 . 2.100 1.799 1.784 1.855 . 0 0 "[ . 1 . 2]" 2
8 1 9 ILE O 1 13 LEU N 2.900 . 3.100 2.710 2.694 2.768 . 0 0 "[ . 1 . 2]" 2
9 1 10 VAL O 1 14 ALA H 1.950 . 2.100 2.108 2.101 2.118 0.018 9 0 "[ . 1 . 2]" 2
10 1 10 VAL O 1 14 ALA N 2.900 . 3.100 2.977 2.951 3.016 . 0 0 "[ . 1 . 2]" 2
11 1 11 SER O 1 15 ARG H 1.950 . 2.100 2.117 2.109 2.127 0.027 6 0 "[ . 1 . 2]" 2
12 1 11 SER O 1 15 ARG N 2.900 . 3.100 2.987 2.953 3.015 . 0 0 "[ . 1 . 2]" 2
13 1 13 LEU O 1 16 LEU H 1.950 . 2.100 2.102 2.087 2.110 0.010 17 0 "[ . 1 . 2]" 2
14 1 13 LEU O 1 16 LEU N 2.900 . 3.100 2.828 2.790 2.878 . 0 0 "[ . 1 . 2]" 2
15 1 13 LEU O 1 18 CYS H 1.950 . 2.100 2.104 2.074 2.121 0.021 17 0 "[ . 1 . 2]" 2
16 1 13 LEU O 1 18 CYS N 2.900 . 3.100 3.036 2.994 3.087 . 0 0 "[ . 1 . 2]" 2
17 1 18 CYS O 1 21 CYS H 1.950 . 2.100 2.103 2.100 2.107 0.007 17 0 "[ . 1 . 2]" 2
18 1 18 CYS O 1 21 CYS N 2.900 . 3.100 2.993 2.953 3.045 . 0 0 "[ . 1 . 2]" 2
19 1 19 SER O 1 22 LEU H 1.950 . 2.100 2.036 1.877 2.106 0.006 15 0 "[ . 1 . 2]" 2
20 1 19 SER O 1 22 LEU N 2.900 . 3.100 2.939 2.794 3.022 . 0 0 "[ . 1 . 2]" 2
21 1 21 CYS O 1 24 TYR H 1.950 . 2.100 2.039 1.975 2.091 . 0 0 "[ . 1 . 2]" 2
22 1 21 CYS O 1 24 TYR N 2.900 . 3.100 2.837 2.780 2.895 . 0 0 "[ . 1 . 2]" 2
23 1 22 LEU O 1 25 PHE H 1.950 . 2.100 2.127 2.122 2.134 0.034 8 0 "[ . 1 . 2]" 2
24 1 22 LEU O 1 25 PHE N 2.900 . 3.100 2.765 2.756 2.776 . 0 0 "[ . 1 . 2]" 2
25 1 22 LEU O 1 26 THR H 1.950 . 2.100 1.779 1.770 1.784 . 0 0 "[ . 1 . 2]" 2
26 1 22 LEU O 1 26 THR N 2.900 . 3.100 2.754 2.744 2.759 . 0 0 "[ . 1 . 2]" 2
27 1 23 ASP O 1 27 THR H 1.950 . 2.100 2.112 2.109 2.118 0.018 5 0 "[ . 1 . 2]" 2
28 1 23 ASP O 1 27 THR N 2.900 . 3.100 3.004 2.980 3.031 . 0 0 "[ . 1 . 2]" 2
29 1 25 PHE O 1 28 GLN H 1.950 . 2.100 2.124 2.100 2.133 0.033 7 0 "[ . 1 . 2]" 2
30 1 25 PHE O 1 28 GLN N 2.900 . 3.100 2.994 2.969 3.025 . 0 0 "[ . 1 . 2]" 2
31 1 26 THR O 1 29 GLY H 1.950 . 2.100 2.102 2.068 2.125 0.025 1 0 "[ . 1 . 2]" 2
32 1 26 THR O 1 29 GLY N 2.900 . 3.100 2.872 2.828 2.891 . 0 0 "[ . 1 . 2]" 2
33 1 25 PHE O 1 30 LEU H 1.950 . 2.100 1.878 1.793 2.093 . 0 0 "[ . 1 . 2]" 2
34 1 25 PHE O 1 30 LEU N 2.900 . 3.100 2.789 2.714 2.965 . 0 0 "[ . 1 . 2]" 2
35 1 7 CYS O 1 33 ILE H 1.950 . 2.100 2.063 1.892 2.149 0.049 3 0 "[ . 1 . 2]" 2
36 1 7 CYS O 1 33 ILE N 2.900 . 3.100 2.966 2.818 3.080 . 0 0 "[ . 1 . 2]" 2
37 1 32 THR OG1 1 35 GLN H 1.950 . 2.100 2.146 2.132 2.162 0.062 17 0 "[ . 1 . 2]" 2
38 1 32 THR OG1 1 35 GLN N 2.900 . 3.100 3.009 2.958 3.078 . 0 0 "[ . 1 . 2]" 2
39 1 33 ILE O 1 36 ILE H 1.950 . 2.100 1.966 1.882 2.106 0.006 14 0 "[ . 1 . 2]" 2
40 1 33 ILE O 1 36 ILE N 2.900 . 3.100 2.836 2.714 2.946 . 0 0 "[ . 1 . 2]" 2
41 1 34 TYR O 1 37 GLU H 1.950 . 2.100 1.991 1.948 2.029 . 0 0 "[ . 1 . 2]" 2
42 1 34 TYR O 1 37 GLU N 2.900 . 3.100 2.944 2.888 2.982 . 0 0 "[ . 1 . 2]" 2
43 1 36 ILE O 1 39 TYR H 1.950 . 2.100 1.822 1.797 1.854 . 0 0 "[ . 1 . 2]" 2
44 1 36 ILE O 1 39 TYR N 2.900 . 3.100 2.756 2.723 2.792 . 0 0 "[ . 1 . 2]" 2
45 1 40 SER H 1 43 ASP OD2 1.950 . 2.100 2.104 2.101 2.106 0.006 18 0 "[ . 1 . 2]" 2
46 1 40 SER N 1 43 ASP OD2 2.900 . 3.100 3.023 3.012 3.030 . 0 0 "[ . 1 . 2]" 2
47 1 40 SER OG 1 43 ASP H 1.950 . 2.100 2.144 2.136 2.154 0.054 13 0 "[ . 1 . 2]" 2
48 1 40 SER OG 1 43 ASP N 2.900 . 3.100 3.115 3.109 3.121 0.021 13 0 "[ . 1 . 2]" 2
49 1 40 SER O 1 44 LEU H 1.950 . 2.100 1.948 1.912 2.030 . 0 0 "[ . 1 . 2]" 2
50 1 40 SER O 1 44 LEU N 2.900 . 3.100 2.924 2.891 3.000 . 0 0 "[ . 1 . 2]" 2
51 1 41 MET O 1 45 ALA H 1.950 . 2.100 2.121 2.115 2.132 0.032 5 0 "[ . 1 . 2]" 2
52 1 41 MET O 1 45 ALA N 2.900 . 3.100 2.908 2.885 2.935 . 0 0 "[ . 1 . 2]" 2
53 1 42 ASP O 1 46 SER H 1.950 . 2.100 1.870 1.850 1.898 . 0 0 "[ . 1 . 2]" 2
54 1 42 ASP O 1 46 SER N 2.900 . 3.100 2.685 2.668 2.697 . 0 0 "[ . 1 . 2]" 2
55 1 43 ASP O 1 47 LEU H 1.950 . 2.100 2.110 2.015 2.130 0.030 2 0 "[ . 1 . 2]" 2
56 1 43 ASP O 1 47 LEU N 2.900 . 3.100 2.999 2.884 3.042 . 0 0 "[ . 1 . 2]" 2
57 1 45 ALA O 1 48 LYS H 1.950 . 2.100 2.085 1.950 2.107 0.007 14 0 "[ . 1 . 2]" 2
58 1 45 ALA O 1 48 LYS N 2.900 . 3.100 2.881 2.780 2.939 . 0 0 "[ . 1 . 2]" 2
59 1 44 LEU O 1 49 ILE H 1.950 . 2.100 2.230 2.219 2.248 0.148 17 0 "[ . 1 . 2]" 2
60 1 44 LEU O 1 49 ILE N 2.900 . 3.100 3.129 3.118 3.143 0.043 3 0 "[ . 1 . 2]" 2
61 1 53 PHE O 1 57 ILE H 1.950 . 2.100 1.880 1.784 2.028 . 0 0 "[ . 1 . 2]" 2
62 1 53 PHE O 1 57 ILE N 2.900 . 3.100 2.853 2.753 3.001 . 0 0 "[ . 1 . 2]" 2
63 1 54 ARG O 1 58 TRP H 1.950 . 2.100 1.798 1.765 1.822 . 0 0 "[ . 1 . 2]" 2
64 1 54 ARG O 1 58 TRP N 2.900 . 3.100 2.688 2.672 2.700 . 0 0 "[ . 1 . 2]" 2
65 1 55 HIS O 1 59 LYS H 1.950 . 2.100 2.002 1.834 2.120 0.020 3 0 "[ . 1 . 2]" 2
66 1 55 HIS O 1 59 LYS N 2.900 . 3.100 2.911 2.738 3.051 . 0 0 "[ . 1 . 2]" 2
67 1 56 ALA O 1 60 GLY H 1.950 . 2.100 2.126 2.115 2.134 0.034 14 0 "[ . 1 . 2]" 2
68 1 56 ALA O 1 60 GLY N 2.900 . 3.100 3.045 2.992 3.067 . 0 0 "[ . 1 . 2]" 2
69 1 57 ILE O 1 61 ILE H 1.950 . 2.100 2.111 2.102 2.122 0.022 10 0 "[ . 1 . 2]" 2
70 1 57 ILE O 1 61 ILE N 2.900 . 3.100 3.033 3.001 3.060 . 0 0 "[ . 1 . 2]" 2
71 1 58 TRP O 1 62 LEU H 1.950 . 2.100 2.029 1.930 2.104 0.004 13 0 "[ . 1 . 2]" 2
72 1 58 TRP O 1 62 LEU N 2.900 . 3.100 2.957 2.895 3.045 . 0 0 "[ . 1 . 2]" 2
73 1 59 LYS O 1 63 ASP H 1.950 . 2.100 2.026 1.864 2.113 0.013 3 0 "[ . 1 . 2]" 2
74 1 59 LYS O 1 63 ASP N 2.900 . 3.100 2.972 2.816 3.076 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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