NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
540897 |
2leo   |
17719 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2leo
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 144
_Distance_constraint_stats_list.Viol_count 85
_Distance_constraint_stats_list.Viol_total 34.485
_Distance_constraint_stats_list.Viol_max 0.087
_Distance_constraint_stats_list.Viol_rms 0.0047
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0006
_Distance_constraint_stats_list.Viol_average_violations_only 0.0203
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 LEU 0.029 0.026 11 0 "[ . 1 . 2]"
1 7 SER 0.029 0.026 11 0 "[ . 1 . 2]"
1 8 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 LYS 0.062 0.028 15 0 "[ . 1 . 2]"
1 11 VAL 0.022 0.022 1 0 "[ . 1 . 2]"
1 13 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 PRO 0.054 0.012 13 0 "[ . 1 . 2]"
1 21 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 CYS 0.135 0.056 8 0 "[ . 1 . 2]"
1 27 PRO 0.287 0.071 1 0 "[ . 1 . 2]"
1 28 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 LEU 0.152 0.071 1 0 "[ . 1 . 2]"
1 32 PRO 0.851 0.087 5 0 "[ . 1 . 2]"
1 33 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 SER 0.245 0.048 7 0 "[ . 1 . 2]"
1 37 ASP 0.048 0.030 2 0 "[ . 1 . 2]"
1 38 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 CYS 0.135 0.056 8 0 "[ . 1 . 2]"
1 46 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 LEU 0.036 0.009 4 0 "[ . 1 . 2]"
1 48 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 GLU 0.048 0.030 2 0 "[ . 1 . 2]"
1 51 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 SER 0.220 0.055 16 0 "[ . 1 . 2]"
1 57 ARG 0.220 0.055 16 0 "[ . 1 . 2]"
1 58 VAL 0.048 0.030 2 0 "[ . 1 . 2]"
1 59 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 LEU 0.245 0.048 7 0 "[ . 1 . 2]"
1 62 HIS 0.045 0.033 19 0 "[ . 1 . 2]"
1 63 ASP 0.045 0.033 19 0 "[ . 1 . 2]"
1 64 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 SER 0.699 0.087 5 0 "[ . 1 . 2]"
1 66 CYS 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 6 LEU H 1 6 LEU QB 2.300 . 2.800 2.318 1.797 2.826 0.026 11 0 "[ . 1 . 2]" 1
2 1 6 LEU QB 1 6 LEU MD1 2.300 . 2.800 2.067 1.945 2.347 . 0 0 "[ . 1 . 2]" 1
3 1 8 PRO HA 1 8 PRO HB2 2.300 . 2.800 2.194 2.085 2.396 . 0 0 "[ . 1 . 2]" 1
4 1 9 LYS HG2 1 10 LYS H 3.150 . 4.500 3.116 2.147 4.496 . 0 0 "[ . 1 . 2]" 1
5 1 10 LYS HA 1 10 LYS QB 2.300 . 2.800 2.325 2.159 2.499 . 0 0 "[ . 1 . 2]" 1
6 1 10 LYS HA 1 10 LYS QG 2.650 . 3.500 2.956 2.413 3.528 0.028 15 0 "[ . 1 . 2]" 1
7 1 10 LYS HB3 1 10 LYS QG 2.300 . 2.800 2.336 2.161 2.449 . 0 0 "[ . 1 . 2]" 1
8 1 10 LYS HB2 1 10 LYS QG 2.300 . 2.800 2.276 2.135 2.431 . 0 0 "[ . 1 . 2]" 1
9 1 13 CYS HB2 1 52 LEU QD 3.650 . 5.500 4.352 4.151 4.677 . 0 0 "[ . 1 . 2]" 1
10 1 15 ILE MD 1 15 ILE HG12 2.300 . 2.800 1.987 1.972 1.998 . 0 0 "[ . 1 . 2]" 1
11 1 15 ILE MD 1 15 ILE HG13 2.300 . 2.800 2.094 2.090 2.100 . 0 0 "[ . 1 . 2]" 1
12 1 16 TYR HB3 1 24 ILE MD 2.650 . 3.500 2.326 1.944 2.844 . 0 0 "[ . 1 . 2]" 1
13 1 17 LYS HA 1 52 LEU QD 2.650 . 3.500 2.416 1.966 3.099 . 0 0 "[ . 1 . 2]" 1
14 1 17 LYS HB3 1 17 LYS QG 2.300 . 2.800 2.348 2.299 2.422 . 0 0 "[ . 1 . 2]" 1
15 1 17 LYS HB2 1 17 LYS QG 2.300 . 2.800 2.305 2.139 2.368 . 0 0 "[ . 1 . 2]" 1
16 1 19 TYR HB2 1 24 ILE MD 3.150 . 4.500 3.100 2.888 3.375 . 0 0 "[ . 1 . 2]" 1
17 1 21 VAL HA 1 24 ILE HG12 3.150 . 4.500 3.469 3.213 3.768 . 0 0 "[ . 1 . 2]" 1
18 1 21 VAL HA 1 21 VAL MG2 3.150 . 4.500 2.493 2.281 3.026 . 0 0 "[ . 1 . 2]" 1
19 1 16 TYR HB3 1 24 ILE HB 3.650 . 5.500 4.054 3.794 4.324 . 0 0 "[ . 1 . 2]" 1
20 1 16 TYR HB2 1 24 ILE HG13 3.650 . 5.500 4.165 3.958 4.438 . 0 0 "[ . 1 . 2]" 1
21 1 16 TYR HB3 1 24 ILE HG13 3.650 . 5.500 4.552 4.344 4.736 . 0 0 "[ . 1 . 2]" 1
22 1 24 ILE MG 1 26 CYS H 3.650 . 5.500 4.465 4.358 4.545 . 0 0 "[ . 1 . 2]" 1
23 1 24 ILE MG 1 25 PRO HA 3.650 . 5.500 4.034 3.914 4.143 . 0 0 "[ . 1 . 2]" 1
24 1 16 TYR HB3 1 24 ILE MG 2.650 . 3.500 2.061 1.862 2.259 . 0 0 "[ . 1 . 2]" 1
25 1 16 TYR HB2 1 24 ILE MG 3.150 . 4.500 3.134 2.906 3.291 . 0 0 "[ . 1 . 2]" 1
26 1 24 ILE HA 1 24 ILE MD 2.650 . 3.500 2.167 1.868 2.964 . 0 0 "[ . 1 . 2]" 1
27 1 51 SER HB3 1 52 LEU HG 2.650 . 3.500 2.864 2.744 3.036 . 0 0 "[ . 1 . 2]" 1
28 1 25 PRO HD3 1 25 PRO HG3 2.650 . 3.500 2.190 2.087 2.241 . 0 0 "[ . 1 . 2]" 1
29 1 25 PRO QB 1 25 PRO HD2 2.650 . 3.500 2.236 2.219 2.264 . 0 0 "[ . 1 . 2]" 1
30 1 13 CYS HB2 1 26 CYS HB3 2.650 . 3.500 2.427 2.270 2.599 . 0 0 "[ . 1 . 2]" 1
31 1 13 CYS HB3 1 26 CYS HB3 2.650 . 3.500 2.575 2.326 2.707 . 0 0 "[ . 1 . 2]" 1
32 1 27 PRO HB3 1 27 PRO QG 2.300 . 2.800 2.240 2.211 2.262 . 0 0 "[ . 1 . 2]" 1
33 1 26 CYS H 1 27 PRO HD3 3.150 . 4.500 4.372 3.910 4.556 0.056 8 0 "[ . 1 . 2]" 1
34 1 26 CYS H 1 27 PRO HD2 3.650 . 5.500 3.610 3.030 3.916 . 0 0 "[ . 1 . 2]" 1
35 1 27 PRO HD2 1 45 CYS QB 3.150 . 4.500 2.124 1.898 2.471 . 0 0 "[ . 1 . 2]" 1
36 1 27 PRO HD3 1 45 CYS QB 2.650 . 3.500 2.944 2.636 3.319 . 0 0 "[ . 1 . 2]" 1
37 1 26 CYS HB3 1 27 PRO HD2 3.150 . 4.500 2.432 2.233 2.674 . 0 0 "[ . 1 . 2]" 1
38 1 27 PRO HD3 1 27 PRO QG 2.300 . 2.800 2.234 2.217 2.256 . 0 0 "[ . 1 . 2]" 1
39 1 20 PRO HD3 1 20 PRO HG2 2.300 . 2.800 2.123 2.108 2.138 . 0 0 "[ . 1 . 2]" 1
40 1 25 PRO QB 1 25 PRO HD3 2.300 . 2.800 2.617 2.578 2.683 . 0 0 "[ . 1 . 2]" 1
41 1 26 CYS HB2 1 27 PRO HD2 3.150 . 4.500 3.864 3.720 4.083 . 0 0 "[ . 1 . 2]" 1
42 1 28 ILE HB 1 28 ILE QG 2.300 . 2.800 2.382 2.354 2.434 . 0 0 "[ . 1 . 2]" 1
43 1 29 THR HA 1 29 THR MG 2.300 . 2.800 1.975 1.956 1.998 . 0 0 "[ . 1 . 2]" 1
44 1 30 TYR HA 1 31 LEU HB3 3.650 . 5.500 3.840 3.558 4.274 . 0 0 "[ . 1 . 2]" 1
45 1 6 LEU HA 1 6 LEU HG 3.150 . 4.500 2.913 2.449 3.366 . 0 0 "[ . 1 . 2]" 1
46 1 32 PRO HD2 1 32 PRO QG 2.300 . 2.800 2.176 2.163 2.232 . 0 0 "[ . 1 . 2]" 1
47 1 33 VAL MG1 1 44 GLU H 3.650 . 5.500 3.396 3.002 3.687 . 0 0 "[ . 1 . 2]" 1
48 1 33 VAL MG2 1 41 TYR QD 2.650 . 3.500 2.684 2.511 2.940 . 0 0 "[ . 1 . 2]" 1
49 1 35 GLY HA2 1 47 LEU MD2 3.150 . 4.500 2.858 2.722 2.989 . 0 0 "[ . 1 . 2]" 1
50 1 36 SER HA 1 61 LEU HB3 2.650 . 3.500 3.480 3.332 3.548 0.048 7 0 "[ . 1 . 2]" 1
51 1 36 SER HB2 1 59 GLN HB3 3.650 . 5.500 4.387 3.705 4.988 . 0 0 "[ . 1 . 2]" 1
52 1 37 ASP HB2 1 39 ILE HG12 3.150 . 4.500 3.637 3.474 3.863 . 0 0 "[ . 1 . 2]" 1
53 1 37 ASP HB3 1 39 ILE HG12 2.650 . 3.500 2.606 2.363 2.821 . 0 0 "[ . 1 . 2]" 1
54 1 39 ILE HB 1 39 ILE MD 2.650 . 3.500 3.005 2.684 3.132 . 0 0 "[ . 1 . 2]" 1
55 1 32 PRO HA 1 40 THR MG 3.150 . 4.500 3.036 2.800 3.162 . 0 0 "[ . 1 . 2]" 1
56 1 5 SER H 1 5 SER HA 2.300 . 2.800 2.351 1.985 2.777 . 0 0 "[ . 1 . 2]" 1
57 1 33 VAL MG1 1 41 TYR HB2 3.150 . 4.500 4.294 4.197 4.383 . 0 0 "[ . 1 . 2]" 1
58 1 30 TYR HA 1 42 GLY HA2 3.650 . 5.500 4.008 3.861 4.152 . 0 0 "[ . 1 . 2]" 1
59 1 32 PRO HA 1 42 GLY HA3 3.150 . 4.500 4.161 4.114 4.203 . 0 0 "[ . 1 . 2]" 1
60 1 27 PRO QG 1 45 CYS HB2 3.650 . 5.500 3.605 3.339 4.091 . 0 0 "[ . 1 . 2]" 1
61 1 27 PRO QG 1 45 CYS HB3 3.650 . 5.500 3.867 3.521 4.291 . 0 0 "[ . 1 . 2]" 1
62 1 27 PRO HD3 1 45 CYS HB3 2.650 . 3.500 2.928 2.888 2.966 . 0 0 "[ . 1 . 2]" 1
63 1 41 TYR HA 1 46 HIS HB2 2.650 . 3.500 2.962 2.935 2.984 . 0 0 "[ . 1 . 2]" 1
64 1 47 LEU HA 1 47 LEU MD2 3.150 . 4.500 3.610 3.486 3.670 . 0 0 "[ . 1 . 2]" 1
65 1 47 LEU HA 1 47 LEU HB3 2.300 . 2.800 2.796 2.775 2.809 0.009 4 0 "[ . 1 . 2]" 1
66 1 33 VAL MG2 1 47 LEU HB3 2.650 . 3.500 2.243 2.205 2.303 . 0 0 "[ . 1 . 2]" 1
67 1 41 TYR HB2 1 47 LEU HB3 3.650 . 5.500 3.826 3.722 3.956 . 0 0 "[ . 1 . 2]" 1
68 1 41 TYR HB3 1 47 LEU HB3 2.650 . 3.500 2.973 2.960 2.986 . 0 0 "[ . 1 . 2]" 1
69 1 41 TYR HB3 1 47 LEU HB2 2.650 . 3.500 2.368 2.336 2.409 . 0 0 "[ . 1 . 2]" 1
70 1 47 LEU HA 1 47 LEU HG 3.150 . 4.500 3.201 3.106 3.269 . 0 0 "[ . 1 . 2]" 1
71 1 41 TYR QD 1 47 LEU MD1 2.650 . 3.500 2.485 2.187 2.742 . 0 0 "[ . 1 . 2]" 1
72 1 35 GLY H 1 47 LEU MD1 2.650 . 3.500 3.190 3.102 3.321 . 0 0 "[ . 1 . 2]" 1
73 1 13 CYS HB3 1 48 CYS HB2 3.150 . 4.500 3.456 3.141 3.609 . 0 0 "[ . 1 . 2]" 1
74 1 24 ILE HG12 1 49 THR HA 3.150 . 4.500 3.645 3.363 3.927 . 0 0 "[ . 1 . 2]" 1
75 1 49 THR MG 1 52 LEU HB3 3.150 . 4.500 3.680 3.105 4.490 . 0 0 "[ . 1 . 2]" 1
76 1 50 GLU HA 1 53 LYS QD 3.150 . 4.500 2.827 1.971 3.721 . 0 0 "[ . 1 . 2]" 1
77 1 47 LEU MD2 1 51 SER HB3 3.650 . 5.500 5.131 4.943 5.367 . 0 0 "[ . 1 . 2]" 1
78 1 51 SER HB2 1 52 LEU HB3 3.650 . 5.500 4.802 3.619 5.022 . 0 0 "[ . 1 . 2]" 1
79 1 51 SER HB3 1 52 LEU HB3 3.150 . 4.500 3.294 3.038 4.091 . 0 0 "[ . 1 . 2]" 1
80 1 52 LEU HA 1 52 LEU HB3 2.300 . 2.800 2.385 2.367 2.408 . 0 0 "[ . 1 . 2]" 1
81 1 52 LEU HB2 1 52 LEU QD 2.300 . 2.800 2.278 2.245 2.319 . 0 0 "[ . 1 . 2]" 1
82 1 21 VAL H 1 52 LEU HB3 3.150 . 4.500 3.584 3.460 3.729 . 0 0 "[ . 1 . 2]" 1
83 1 52 LEU HB3 1 52 LEU MD1 2.300 . 2.800 1.979 1.972 1.988 . 0 0 "[ . 1 . 2]" 1
84 1 13 CYS HB3 1 52 LEU MD1 3.150 . 4.500 3.777 3.425 4.123 . 0 0 "[ . 1 . 2]" 1
85 1 17 LYS HA 1 52 LEU MD1 2.650 . 3.500 2.412 1.973 3.025 . 0 0 "[ . 1 . 2]" 1
86 1 6 LEU QB 1 6 LEU MD2 2.300 . 2.800 1.937 1.866 1.986 . 0 0 "[ . 1 . 2]" 1
87 1 53 LYS HA 1 53 LYS QD 2.650 . 3.500 2.740 2.165 3.174 . 0 0 "[ . 1 . 2]" 1
88 1 53 LYS QB 1 53 LYS QD 2.300 . 2.800 1.999 1.871 2.119 . 0 0 "[ . 1 . 2]" 1
89 1 53 LYS QD 1 53 LYS QE 2.300 . 2.800 1.990 1.918 2.080 . 0 0 "[ . 1 . 2]" 1
90 1 54 SER HB3 1 57 ARG HB2 3.650 . 5.500 3.178 2.085 4.389 . 0 0 "[ . 1 . 2]" 1
91 1 54 SER HB2 1 57 ARG HB2 2.650 . 3.500 3.043 2.179 3.529 0.029 13 0 "[ . 1 . 2]" 1
92 1 35 GLY HA2 1 41 TYR QD 3.650 . 5.500 3.683 3.451 3.807 . 0 0 "[ . 1 . 2]" 1
93 1 57 ARG HB3 1 57 ARG QD 3.150 . 4.500 2.498 2.270 3.359 . 0 0 "[ . 1 . 2]" 1
94 1 54 SER HB2 1 57 ARG HB3 2.650 . 3.500 2.165 1.870 2.592 . 0 0 "[ . 1 . 2]" 1
95 1 57 ARG HB2 1 57 ARG HE 3.150 . 4.500 3.160 2.149 3.741 . 0 0 "[ . 1 . 2]" 1
96 1 57 ARG HB3 1 57 ARG HE 3.150 . 4.500 2.226 1.994 2.648 . 0 0 "[ . 1 . 2]" 1
97 1 19 TYR QD 1 25 PRO HG3 3.150 . 4.500 2.644 2.232 3.529 . 0 0 "[ . 1 . 2]" 1
98 1 54 SER HB2 1 57 ARG HG2 2.650 . 3.500 3.067 2.860 3.555 0.055 16 0 "[ . 1 . 2]" 1
99 1 57 ARG HB2 1 57 ARG HD3 2.650 . 3.500 2.565 2.247 2.774 . 0 0 "[ . 1 . 2]" 1
100 1 57 ARG HB2 1 57 ARG HD2 2.650 . 3.500 2.355 2.171 2.728 . 0 0 "[ . 1 . 2]" 1
101 1 54 SER HB2 1 57 ARG HD2 3.650 . 5.500 3.495 2.202 4.474 . 0 0 "[ . 1 . 2]" 1
102 1 54 SER HB2 1 57 ARG HD3 3.650 . 5.500 3.481 2.523 4.541 . 0 0 "[ . 1 . 2]" 1
103 1 51 SER HA 1 58 VAL HB 3.150 . 4.500 4.081 3.793 4.338 . 0 0 "[ . 1 . 2]" 1
104 1 51 SER HA 1 58 VAL MG1 2.650 . 3.500 2.083 1.863 2.416 . 0 0 "[ . 1 . 2]" 1
105 1 37 ASP HB2 1 58 VAL MG1 2.650 . 3.500 2.824 2.002 3.530 0.030 2 0 "[ . 1 . 2]" 1
106 1 50 GLU HB2 1 58 VAL MG1 3.650 . 5.500 3.191 2.105 3.738 . 0 0 "[ . 1 . 2]" 1
107 1 37 ASP HB2 1 58 VAL MG2 3.150 . 4.500 2.628 2.286 2.959 . 0 0 "[ . 1 . 2]" 1
108 1 62 HIS HA 1 63 ASP QB 3.150 . 4.500 4.316 4.037 4.533 0.033 19 0 "[ . 1 . 2]" 1
109 1 62 HIS HB2 1 63 ASP QB 3.650 . 5.500 4.453 3.979 5.045 . 0 0 "[ . 1 . 2]" 1
110 1 32 PRO HB3 1 64 GLY HA2 3.150 . 4.500 2.649 2.438 3.297 . 0 0 "[ . 1 . 2]" 1
111 1 32 PRO HB3 1 65 SER HA 3.650 . 5.500 3.838 3.541 4.141 . 0 0 "[ . 1 . 2]" 1
112 1 3 ALA MB 1 4 ALA H 2.300 . 2.800 2.295 1.901 2.793 . 0 0 "[ . 1 . 2]" 1
113 1 5 SER H 1 5 SER QB 2.300 . 2.800 2.192 1.821 2.506 . 0 0 "[ . 1 . 2]" 1
114 1 6 LEU H 1 6 LEU HA 2.300 . 2.800 2.278 1.997 2.747 . 0 0 "[ . 1 . 2]" 1
115 1 8 PRO HD2 1 9 LYS H 3.650 . 5.500 4.490 3.273 5.028 . 0 0 "[ . 1 . 2]" 1
116 1 10 LYS QB 1 11 VAL MG1 3.150 . 4.500 3.865 3.168 4.522 0.022 1 0 "[ . 1 . 2]" 1
117 1 18 LYS H 1 18 LYS HA 2.650 . 3.500 2.706 2.676 2.728 . 0 0 "[ . 1 . 2]" 1
118 1 18 LYS H 1 18 LYS QB 2.650 . 3.500 2.358 2.100 2.705 . 0 0 "[ . 1 . 2]" 1
119 1 18 LYS H 1 18 LYS HG3 3.150 . 4.500 2.994 2.216 4.217 . 0 0 "[ . 1 . 2]" 1
120 1 18 LYS H 1 18 LYS HG2 3.650 . 5.500 3.282 2.110 4.019 . 0 0 "[ . 1 . 2]" 1
121 1 18 LYS H 1 18 LYS QD 3.650 . 5.500 3.735 2.010 4.437 . 0 0 "[ . 1 . 2]" 1
122 1 20 PRO HA 1 20 PRO QG 2.650 . 3.500 3.497 3.469 3.512 0.012 13 0 "[ . 1 . 2]" 1
123 1 8 PRO HB2 1 8 PRO HD2 3.150 . 4.500 3.234 2.854 3.555 . 0 0 "[ . 1 . 2]" 1
124 1 21 VAL MG2 1 52 LEU HB3 3.150 . 4.500 2.850 2.206 4.492 . 0 0 "[ . 1 . 2]" 1
125 1 20 PRO HB3 1 23 ALA MB 3.650 . 5.500 3.995 3.655 4.284 . 0 0 "[ . 1 . 2]" 1
126 1 26 CYS HA 1 27 PRO QG 3.150 . 4.500 3.947 3.871 4.026 . 0 0 "[ . 1 . 2]" 1
127 1 25 PRO QB 1 26 CYS HA 3.150 . 4.500 4.019 3.913 4.094 . 0 0 "[ . 1 . 2]" 1
128 1 27 PRO HA 1 27 PRO QG 3.650 . 5.500 3.502 3.480 3.518 . 0 0 "[ . 1 . 2]" 1
129 1 27 PRO QG 1 29 THR HB 3.650 . 5.500 3.616 2.702 4.910 . 0 0 "[ . 1 . 2]" 1
130 1 28 ILE H 1 29 THR HB 3.650 . 5.500 4.373 4.212 4.506 . 0 0 "[ . 1 . 2]" 1
131 1 29 THR HA 1 31 LEU MD1 3.150 . 4.500 3.082 2.107 3.717 . 0 0 "[ . 1 . 2]" 1
132 1 27 PRO HD3 1 31 LEU MD1 3.650 . 5.500 5.292 4.768 5.571 0.071 1 0 "[ . 1 . 2]" 1
133 1 6 LEU QB 1 6 LEU MD1 2.300 . 2.800 1.855 1.805 1.950 . 0 0 "[ . 1 . 2]" 1
134 1 34 CYS HB3 1 35 GLY HA2 3.650 . 5.500 4.511 4.368 4.607 . 0 0 "[ . 1 . 2]" 1
135 1 41 TYR HB3 1 44 GLU HA 3.650 . 5.500 4.424 4.151 4.995 . 0 0 "[ . 1 . 2]" 1
136 1 41 TYR HB2 1 47 LEU MD2 3.150 . 4.500 3.746 3.587 3.917 . 0 0 "[ . 1 . 2]" 1
137 1 13 CYS HB2 1 52 LEU MD1 3.150 . 4.500 3.852 3.256 4.393 . 0 0 "[ . 1 . 2]" 1
138 1 15 ILE HG13 1 16 TYR HA 3.150 . 4.500 3.488 3.199 3.667 . 0 0 "[ . 1 . 2]" 1
139 1 47 LEU MD2 1 59 GLN HA 3.150 . 4.500 3.469 3.086 3.698 . 0 0 "[ . 1 . 2]" 1
140 1 32 PRO HB3 1 64 GLY HA3 3.650 . 5.500 4.145 3.958 4.673 . 0 0 "[ . 1 . 2]" 1
141 1 32 PRO HB3 1 65 SER HB3 3.650 . 5.500 4.523 4.271 4.718 . 0 0 "[ . 1 . 2]" 1
142 1 32 PRO HB3 1 65 SER HB2 3.150 . 4.500 4.533 4.464 4.587 0.087 5 0 "[ . 1 . 2]" 1
143 1 38 TYR HA 1 66 CYS HB2 3.650 . 5.500 3.843 3.657 3.969 . 0 0 "[ . 1 . 2]" 1
144 1 24 ILE MG 1 45 CYS QB 3.650 . 5.500 3.889 3.393 4.244 . 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 83
_Distance_constraint_stats_list.Viol_count 52
_Distance_constraint_stats_list.Viol_total 19.544
_Distance_constraint_stats_list.Viol_max 0.113
_Distance_constraint_stats_list.Viol_rms 0.0048
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0006
_Distance_constraint_stats_list.Viol_average_violations_only 0.0188
_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 5 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 LEU 0.113 0.113 19 0 "[ . 1 . 2]"
1 7 SER 0.113 0.113 19 0 "[ . 1 . 2]"
1 10 LYS 0.030 0.019 13 0 "[ . 1 . 2]"
1 11 VAL 0.019 0.019 13 0 "[ . 1 . 2]"
1 14 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 TYR 0.139 0.068 1 0 "[ . 1 . 2]"
1 17 LYS 0.139 0.068 1 0 "[ . 1 . 2]"
1 18 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 PRO 0.269 0.035 17 0 "[ . 1 . 2]"
1 28 ILE 0.155 0.026 9 0 "[ . 1 . 2]"
1 29 THR 0.035 0.016 20 0 "[ . 1 . 2]"
1 30 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 CYS 0.023 0.010 9 0 "[ . 1 . 2]"
1 35 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 ASN 0.150 0.035 17 0 "[ . 1 . 2]"
1 44 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 CYS 0.114 0.035 17 0 "[ . 1 . 2]"
1 46 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 CYS 0.113 0.113 19 0 "[ . 1 . 2]"
1 49 THR 0.113 0.113 19 0 "[ . 1 . 2]"
1 50 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 SER 0.139 0.065 2 0 "[ . 1 . 2]"
1 52 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 ARG 0.199 0.051 12 0 "[ . 1 . 2]"
1 58 VAL 0.338 0.065 2 0 "[ . 1 . 2]"
1 59 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 PHE 0.150 0.065 2 0 "[ . 1 . 2]"
1 61 LEU 0.023 0.010 9 0 "[ . 1 . 2]"
1 62 HIS 0.023 0.010 9 0 "[ . 1 . 2]"
1 63 ASP 0.029 0.017 8 0 "[ . 1 . 2]"
1 64 GLY 0.029 0.017 8 0 "[ . 1 . 2]"
1 65 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 5 SER HA 1 6 LEU H 2.300 . 2.800 2.342 2.063 2.778 . 0 0 "[ . 1 . 2]" 2
2 1 6 LEU HA 1 7 SER H 2.300 . 2.800 2.248 1.975 2.913 0.113 19 0 "[ . 1 . 2]" 2
3 1 10 LYS H 1 10 LYS QB 2.650 . 3.500 2.718 2.223 3.298 . 0 0 "[ . 1 . 2]" 2
4 1 10 LYS QB 1 11 VAL H 2.650 . 3.500 2.741 2.101 3.519 0.019 13 0 "[ . 1 . 2]" 2
5 1 10 LYS QG 1 11 VAL H 3.650 . 5.500 3.524 1.981 4.684 . 0 0 "[ . 1 . 2]" 2
6 1 11 VAL MG2 1 14 SER H 3.150 . 4.500 4.060 3.844 4.349 . 0 0 "[ . 1 . 2]" 2
7 1 14 SER H 1 15 ILE HG13 3.650 . 5.500 4.968 4.839 5.166 . 0 0 "[ . 1 . 2]" 2
8 1 15 ILE H 1 15 ILE MD 2.650 . 3.500 2.335 2.228 2.495 . 0 0 "[ . 1 . 2]" 2
9 1 16 TYR H 1 17 LYS QG 3.650 . 5.500 4.048 3.536 5.568 0.068 1 0 "[ . 1 . 2]" 2
10 1 17 LYS H 1 17 LYS QG 3.150 . 4.500 2.614 2.157 3.933 . 0 0 "[ . 1 . 2]" 2
11 1 17 LYS QG 1 18 LYS H 3.150 . 4.500 2.406 2.133 2.736 . 0 0 "[ . 1 . 2]" 2
12 1 19 TYR H 1 24 ILE MD 3.650 . 5.500 3.979 3.804 4.404 . 0 0 "[ . 1 . 2]" 2
13 1 16 TYR HB3 1 19 TYR H 3.650 . 5.500 4.628 4.418 4.828 . 0 0 "[ . 1 . 2]" 2
14 1 22 VAL H 1 23 ALA MB 3.650 . 5.500 4.126 3.843 4.311 . 0 0 "[ . 1 . 2]" 2
15 1 22 VAL MG1 1 23 ALA H 3.150 . 4.500 2.886 2.471 3.326 . 0 0 "[ . 1 . 2]" 2
16 1 20 PRO HB3 1 23 ALA H 3.150 . 4.500 3.812 3.724 3.886 . 0 0 "[ . 1 . 2]" 2
17 1 20 PRO HD3 1 23 ALA H 3.150 . 4.500 4.085 3.873 4.233 . 0 0 "[ . 1 . 2]" 2
18 1 25 PRO HD3 1 26 CYS H 3.650 . 5.500 4.673 4.582 4.745 . 0 0 "[ . 1 . 2]" 2
19 1 27 PRO QG 1 28 ILE H 2.650 . 3.500 3.499 3.469 3.526 0.026 9 0 "[ . 1 . 2]" 2
20 1 28 ILE H 1 29 THR HA 3.650 . 5.500 4.293 4.175 4.384 . 0 0 "[ . 1 . 2]" 2
21 1 28 ILE HG12 1 29 THR H 3.150 . 4.500 3.165 2.901 3.666 . 0 0 "[ . 1 . 2]" 2
22 1 27 PRO QG 1 29 THR H 3.150 . 4.500 3.457 3.174 3.776 . 0 0 "[ . 1 . 2]" 2
23 1 29 THR H 1 29 THR HA 2.300 . 2.800 2.390 2.355 2.454 . 0 0 "[ . 1 . 2]" 2
24 1 30 TYR HB3 1 31 LEU H 2.650 . 3.500 2.153 2.063 2.258 . 0 0 "[ . 1 . 2]" 2
25 1 32 PRO HB3 1 33 VAL H 3.150 . 4.500 3.807 3.687 3.876 . 0 0 "[ . 1 . 2]" 2
26 1 33 VAL H 1 43 ASN HA 3.150 . 4.500 3.992 3.782 4.158 . 0 0 "[ . 1 . 2]" 2
27 1 33 VAL MG1 1 34 CYS H 2.650 . 3.500 2.888 2.840 2.940 . 0 0 "[ . 1 . 2]" 2
28 1 34 CYS H 1 63 ASP QB 4.150 . 6.500 4.992 4.287 5.368 . 0 0 "[ . 1 . 2]" 2
29 1 34 CYS H 1 35 GLY HA2 3.650 . 5.500 4.433 4.288 4.544 . 0 0 "[ . 1 . 2]" 2
30 1 35 GLY H 1 41 TYR HB3 4.150 . 6.500 5.706 5.534 5.872 . 0 0 "[ . 1 . 2]" 2
31 1 35 GLY H 1 38 TYR HA 3.150 . 4.500 4.118 3.929 4.283 . 0 0 "[ . 1 . 2]" 2
32 1 37 ASP H 1 39 ILE HG12 3.150 . 4.500 4.116 4.001 4.266 . 0 0 "[ . 1 . 2]" 2
33 1 37 ASP H 1 39 ILE HG13 3.650 . 5.500 5.040 4.897 5.138 . 0 0 "[ . 1 . 2]" 2
34 1 38 TYR HA 1 39 ILE H 2.300 . 2.800 2.520 2.410 2.592 . 0 0 "[ . 1 . 2]" 2
35 1 39 ILE HA 1 40 THR H 2.300 . 2.800 2.040 2.000 2.078 . 0 0 "[ . 1 . 2]" 2
36 1 32 PRO HB3 1 42 GLY H 4.150 . 6.500 5.619 5.397 5.796 . 0 0 "[ . 1 . 2]" 2
37 1 43 ASN H 1 43 ASN HB2 3.150 . 4.500 3.761 3.632 3.811 . 0 0 "[ . 1 . 2]" 2
38 1 32 PRO HA 1 43 ASN H 3.150 . 4.500 3.809 3.690 3.964 . 0 0 "[ . 1 . 2]" 2
39 1 33 VAL H 1 43 ASN H 3.150 . 4.500 4.120 3.961 4.220 . 0 0 "[ . 1 . 2]" 2
40 1 44 GLU H 1 45 CYS QB 3.650 . 5.500 4.420 4.173 4.636 . 0 0 "[ . 1 . 2]" 2
41 1 27 PRO HD3 1 44 GLU H 3.650 . 5.500 4.737 4.574 4.847 . 0 0 "[ . 1 . 2]" 2
42 1 27 PRO QG 1 45 CYS H 3.150 . 4.500 3.164 2.140 3.679 . 0 0 "[ . 1 . 2]" 2
43 1 26 CYS HB3 1 45 CYS H 3.650 . 5.500 4.283 4.077 4.457 . 0 0 "[ . 1 . 2]" 2
44 1 45 CYS H 1 45 CYS QB 2.300 . 2.800 2.255 2.179 2.307 . 0 0 "[ . 1 . 2]" 2
45 1 26 CYS HB2 1 46 HIS H 3.650 . 5.500 4.820 4.574 5.060 . 0 0 "[ . 1 . 2]" 2
46 1 41 TYR HB2 1 46 HIS H 4.150 . 6.500 5.134 4.963 5.302 . 0 0 "[ . 1 . 2]" 2
47 1 45 CYS QB 1 46 HIS H 2.650 . 3.500 2.473 2.334 2.635 . 0 0 "[ . 1 . 2]" 2
48 1 42 GLY H 1 46 HIS H 3.650 . 5.500 4.204 4.026 4.364 . 0 0 "[ . 1 . 2]" 2
49 1 42 GLY H 1 47 LEU H 3.650 . 5.500 4.485 4.362 4.615 . 0 0 "[ . 1 . 2]" 2
50 1 49 THR H 1 51 SER H 3.650 . 5.500 3.584 3.463 3.677 . 0 0 "[ . 1 . 2]" 2
51 1 52 LEU H 1 52 LEU HB3 2.300 . 2.800 2.286 2.157 2.401 . 0 0 "[ . 1 . 2]" 2
52 1 51 SER HB3 1 52 LEU H 2.650 . 3.500 2.365 2.168 2.717 . 0 0 "[ . 1 . 2]" 2
53 1 52 LEU HB3 1 53 LYS H 2.650 . 3.500 2.207 2.084 2.406 . 0 0 "[ . 1 . 2]" 2
54 1 53 LYS QD 1 54 SER H 3.650 . 5.500 3.957 2.894 4.451 . 0 0 "[ . 1 . 2]" 2
55 1 51 SER HA 1 54 SER H 2.650 . 3.500 2.628 2.344 3.023 . 0 0 "[ . 1 . 2]" 2
56 1 50 GLU HA 1 54 SER H 3.150 . 4.500 3.646 3.485 3.845 . 0 0 "[ . 1 . 2]" 2
57 1 52 LEU HB3 1 55 ASN H 3.650 . 5.500 4.071 3.874 4.231 . 0 0 "[ . 1 . 2]" 2
58 1 51 SER HA 1 55 ASN H 3.150 . 4.500 3.353 2.869 3.622 . 0 0 "[ . 1 . 2]" 2
59 1 51 SER HA 1 56 GLY H 3.650 . 5.500 3.367 3.069 3.506 . 0 0 "[ . 1 . 2]" 2
60 1 57 ARG H 1 57 ARG HB2 2.650 . 3.500 2.537 2.310 2.889 . 0 0 "[ . 1 . 2]" 2
61 1 57 ARG HB2 1 58 VAL H 2.650 . 3.500 3.434 3.135 3.551 0.051 12 0 "[ . 1 . 2]" 2
62 1 51 SER HA 1 58 VAL H 2.650 . 3.500 2.657 2.367 2.865 . 0 0 "[ . 1 . 2]" 2
63 1 59 GLN H 1 59 GLN HB3 2.650 . 3.500 2.822 2.581 3.273 . 0 0 "[ . 1 . 2]" 2
64 1 51 SER HA 1 59 GLN H 3.650 . 5.500 5.074 4.618 5.369 . 0 0 "[ . 1 . 2]" 2
65 1 10 LYS QB 1 60 PHE H 3.150 . 4.500 3.725 2.403 4.511 0.011 1 0 "[ . 1 . 2]" 2
66 1 51 SER HB2 1 60 PHE H 3.650 . 5.500 5.279 4.698 5.565 0.065 2 0 "[ . 1 . 2]" 2
67 1 47 LEU MD1 1 61 LEU H 3.150 . 4.500 3.759 3.607 3.916 . 0 0 "[ . 1 . 2]" 2
68 1 35 GLY H 1 61 LEU H 3.150 . 4.500 3.999 3.949 4.061 . 0 0 "[ . 1 . 2]" 2
69 1 34 CYS HB2 1 62 HIS H 2.650 . 3.500 3.454 3.370 3.510 0.010 9 0 "[ . 1 . 2]" 2
70 1 60 PHE HB2 1 62 HIS H 4.150 . 6.500 5.103 4.995 5.326 . 0 0 "[ . 1 . 2]" 2
71 1 63 ASP H 1 63 ASP QB 2.300 . 2.800 2.422 2.220 2.690 . 0 0 "[ . 1 . 2]" 2
72 1 32 PRO HB3 1 64 GLY H 3.150 . 4.500 3.869 3.574 4.253 . 0 0 "[ . 1 . 2]" 2
73 1 63 ASP QB 1 64 GLY H 2.650 . 3.500 2.885 2.298 3.517 0.017 8 0 "[ . 1 . 2]" 2
74 1 32 PRO HB3 1 65 SER H 2.650 . 3.500 3.344 3.176 3.487 . 0 0 "[ . 1 . 2]" 2
75 1 26 CYS HB2 1 43 ASN HD21 4.150 . 6.500 5.216 4.661 5.605 . 0 0 "[ . 1 . 2]" 2
76 1 29 THR HA 1 43 ASN HD21 3.150 . 4.500 3.982 3.593 4.371 . 0 0 "[ . 1 . 2]" 2
77 1 27 PRO HD3 1 43 ASN HD22 3.150 . 4.500 4.463 4.348 4.535 0.035 17 0 "[ . 1 . 2]" 2
78 1 29 THR HA 1 43 ASN HD22 3.650 . 5.500 5.187 4.872 5.516 0.016 20 0 "[ . 1 . 2]" 2
79 1 30 TYR HA 1 43 ASN HD21 3.150 . 4.500 3.311 3.004 3.626 . 0 0 "[ . 1 . 2]" 2
80 1 30 TYR HA 1 43 ASN HD22 3.650 . 5.500 4.508 4.274 4.730 . 0 0 "[ . 1 . 2]" 2
81 1 29 THR H 1 43 ASN HD22 3.150 . 4.500 3.356 2.885 3.712 . 0 0 "[ . 1 . 2]" 2
82 1 59 GLN HB3 1 59 GLN HE22 3.150 . 4.500 3.198 3.104 3.432 . 0 0 "[ . 1 . 2]" 2
83 1 59 GLN HB3 1 59 GLN HE21 2.650 . 3.500 2.227 2.077 2.807 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 8
_Distance_constraint_stats_list.Viol_count 12
_Distance_constraint_stats_list.Viol_total 7.592
_Distance_constraint_stats_list.Viol_max 0.069
_Distance_constraint_stats_list.Viol_rms 0.0101
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0024
_Distance_constraint_stats_list.Viol_average_violations_only 0.0316
_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 13 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 TYR 0.001 0.001 7 0 "[ . 1 . 2]"
1 32 PRO 0.001 0.001 7 0 "[ . 1 . 2]"
1 42 GLY 0.378 0.069 15 0 "[ . 1 . 2]"
1 43 ASN 0.378 0.069 15 0 "[ . 1 . 2]"
1 45 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 HIS 0.378 0.069 15 0 "[ . 1 . 2]"
1 60 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ASP 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 30 TYR QE 1 32 PRO HB3 2.300 . 2.800 2.506 2.144 2.801 0.001 7 0 "[ . 1 . 2]" 3
2 1 16 TYR HB3 1 16 TYR QE 2.650 . 3.500 2.451 2.151 2.606 . 0 0 "[ . 1 . 2]" 3
3 1 16 TYR QE 1 27 PRO HD2 2.650 . 3.500 2.906 2.708 3.240 . 0 0 "[ . 1 . 2]" 3
4 1 13 CYS HB2 1 16 TYR QD 3.150 . 4.500 3.815 3.523 4.138 . 0 0 "[ . 1 . 2]" 3
5 1 19 TYR QE 1 25 PRO QB 3.150 . 4.500 3.222 2.884 3.496 . 0 0 "[ . 1 . 2]" 3
6 1 30 TYR QD 1 32 PRO HB3 3.150 . 4.500 3.519 2.813 3.771 . 0 0 "[ . 1 . 2]" 3
7 1 42 GLY HA2 1 46 HIS HD2 2.650 . 3.500 3.488 3.368 3.569 0.069 15 0 "[ . 1 . 2]" 3
8 1 60 PHE HB2 1 60 PHE QE 3.650 . 5.500 3.574 2.822 4.143 . 0 0 "[ . 1 . 2]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 728
_Distance_constraint_stats_list.Viol_count 455
_Distance_constraint_stats_list.Viol_total 172.210
_Distance_constraint_stats_list.Viol_max 0.092
_Distance_constraint_stats_list.Viol_rms 0.0043
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0006
_Distance_constraint_stats_list.Viol_average_violations_only 0.0189
_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 1 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 GLU 0.011 0.011 5 0 "[ . 1 . 2]"
1 3 ALA 0.081 0.026 18 0 "[ . 1 . 2]"
1 4 ALA 0.130 0.026 18 0 "[ . 1 . 2]"
1 5 SER 0.061 0.019 15 0 "[ . 1 . 2]"
1 6 LEU 0.003 0.003 10 0 "[ . 1 . 2]"
1 7 SER 0.003 0.003 10 0 "[ . 1 . 2]"
1 8 PRO 0.192 0.062 9 0 "[ . 1 . 2]"
1 9 LYS 0.192 0.062 9 0 "[ . 1 . 2]"
1 10 LYS 0.025 0.025 14 0 "[ . 1 . 2]"
1 11 VAL 0.237 0.088 16 0 "[ . 1 . 2]"
1 12 ASP 0.152 0.053 10 0 "[ . 1 . 2]"
1 13 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 SER 0.112 0.026 12 0 "[ . 1 . 2]"
1 15 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 LYS 0.038 0.024 9 0 "[ . 1 . 2]"
1 19 TYR 0.108 0.024 9 0 "[ . 1 . 2]"
1 20 PRO 0.087 0.022 15 0 "[ . 1 . 2]"
1 21 VAL 0.237 0.060 3 0 "[ . 1 . 2]"
1 22 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ALA 0.087 0.022 15 0 "[ . 1 . 2]"
1 24 ILE 0.086 0.018 10 0 "[ . 1 . 2]"
1 25 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 CYS 0.068 0.036 4 0 "[ . 1 . 2]"
1 27 PRO 0.415 0.035 10 0 "[ . 1 . 2]"
1 28 ILE 0.400 0.035 10 0 "[ . 1 . 2]"
1 29 THR 0.138 0.025 20 0 "[ . 1 . 2]"
1 30 TYR 0.325 0.028 12 0 "[ . 1 . 2]"
1 31 LEU 0.741 0.068 11 0 "[ . 1 . 2]"
1 32 PRO 0.215 0.052 6 0 "[ . 1 . 2]"
1 33 VAL 0.698 0.038 13 0 "[ . 1 . 2]"
1 34 CYS 0.961 0.049 1 0 "[ . 1 . 2]"
1 35 GLY 0.674 0.051 7 0 "[ . 1 . 2]"
1 36 SER 0.784 0.050 9 0 "[ . 1 . 2]"
1 37 ASP 0.042 0.034 6 0 "[ . 1 . 2]"
1 38 TYR 0.078 0.039 6 0 "[ . 1 . 2]"
1 39 ILE 0.215 0.051 7 0 "[ . 1 . 2]"
1 40 THR 0.444 0.045 17 0 "[ . 1 . 2]"
1 41 TYR 0.882 0.049 1 0 "[ . 1 . 2]"
1 42 GLY 0.318 0.036 19 0 "[ . 1 . 2]"
1 43 ASN 0.651 0.068 11 0 "[ . 1 . 2]"
1 44 GLU 1.250 0.092 12 0 "[ . 1 . 2]"
1 45 CYS 0.068 0.036 4 0 "[ . 1 . 2]"
1 46 HIS 0.007 0.007 7 0 "[ . 1 . 2]"
1 47 LEU 0.248 0.039 6 0 "[ . 1 . 2]"
1 48 CYS 0.683 0.092 12 0 "[ . 1 . 2]"
1 49 THR 0.031 0.012 19 0 "[ . 1 . 2]"
1 50 GLU 0.528 0.052 2 0 "[ . 1 . 2]"
1 51 SER 0.060 0.013 13 0 "[ . 1 . 2]"
1 52 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 LYS 0.119 0.036 14 0 "[ . 1 . 2]"
1 54 SER 0.053 0.017 7 0 "[ . 1 . 2]"
1 55 ASN 0.058 0.040 13 0 "[ . 1 . 2]"
1 56 GLY 0.342 0.040 13 0 "[ . 1 . 2]"
1 57 ARG 0.130 0.031 17 0 "[ . 1 . 2]"
1 58 VAL 0.070 0.031 3 0 "[ . 1 . 2]"
1 59 GLN 0.673 0.050 9 0 "[ . 1 . 2]"
1 60 PHE 0.183 0.088 16 0 "[ . 1 . 2]"
1 61 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ASP 0.064 0.028 9 0 "[ . 1 . 2]"
1 64 GLY 0.600 0.047 9 0 "[ . 1 . 2]"
1 65 SER 0.119 0.025 6 0 "[ . 1 . 2]"
1 66 CYS 0.549 0.045 17 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 1 SER HA 1 2 GLU H 3.650 . 5.500 2.658 2.145 3.601 . 0 0 "[ . 1 . 2]" 4
2 1 2 GLU H 1 2 GLU HB3 3.650 . 5.500 3.360 2.441 3.735 . 0 0 "[ . 1 . 2]" 4
3 1 3 ALA H 1 3 ALA MB 3.150 . 4.500 2.570 2.242 2.991 . 0 0 "[ . 1 . 2]" 4
4 1 4 ALA MB 1 5 SER H 3.650 . 5.500 2.802 1.840 3.644 . 0 0 "[ . 1 . 2]" 4
5 1 5 SER H 1 5 SER QB 3.150 . 4.500 2.724 2.250 3.423 . 0 0 "[ . 1 . 2]" 4
6 1 5 SER QB 1 6 LEU H 3.650 . 5.500 3.253 1.877 4.022 . 0 0 "[ . 1 . 2]" 4
7 1 6 LEU H 1 6 LEU MD1 3.650 . 5.500 3.341 2.040 4.575 . 0 0 "[ . 1 . 2]" 4
8 1 10 LYS H 1 10 LYS HG3 3.650 . 5.500 3.827 2.458 4.748 . 0 0 "[ . 1 . 2]" 4
9 1 6 LEU QB 1 7 SER H 3.150 . 4.500 2.986 1.803 3.962 . 0 0 "[ . 1 . 2]" 4
10 1 6 LEU MD1 1 7 SER H 3.650 . 5.500 4.551 3.661 5.503 0.003 10 0 "[ . 1 . 2]" 4
11 1 49 THR H 1 49 THR MG 3.150 . 4.500 3.551 2.349 3.790 . 0 0 "[ . 1 . 2]" 4
12 1 21 VAL H 1 21 VAL MG1 3.150 . 4.500 3.363 1.965 3.791 . 0 0 "[ . 1 . 2]" 4
13 1 9 LYS H 1 9 LYS HG3 3.650 . 5.500 3.770 2.295 4.699 . 0 0 "[ . 1 . 2]" 4
14 1 9 LYS H 1 9 LYS HG2 3.650 . 5.500 3.893 2.012 4.590 . 0 0 "[ . 1 . 2]" 4
15 1 9 LYS H 1 9 LYS QD 3.650 . 5.500 4.131 2.200 5.123 . 0 0 "[ . 1 . 2]" 4
16 1 8 PRO HB3 1 9 LYS H 3.150 . 4.500 4.079 2.945 4.562 0.062 9 0 "[ . 1 . 2]" 4
17 1 8 PRO HB2 1 9 LYS H 3.150 . 4.500 3.719 2.087 4.291 . 0 0 "[ . 1 . 2]" 4
18 1 8 PRO HD2 1 9 LYS H 3.650 . 5.500 4.751 3.293 5.546 0.046 6 0 "[ . 1 . 2]" 4
19 1 21 VAL H 1 22 VAL H 3.150 . 4.500 2.804 2.642 2.950 . 0 0 "[ . 1 . 2]" 4
20 1 9 LYS HG3 1 10 LYS H 3.650 . 5.500 3.949 2.566 5.194 . 0 0 "[ . 1 . 2]" 4
21 1 11 VAL H 1 11 VAL MG1 3.150 . 4.500 2.115 1.940 2.410 . 0 0 "[ . 1 . 2]" 4
22 1 11 VAL H 1 11 VAL MG2 3.150 . 4.500 3.698 1.936 3.872 . 0 0 "[ . 1 . 2]" 4
23 1 11 VAL H 1 60 PHE HB2 3.650 . 5.500 2.484 1.911 3.788 . 0 0 "[ . 1 . 2]" 4
24 1 11 VAL H 1 60 PHE HB3 3.650 . 5.500 2.672 1.993 3.577 . 0 0 "[ . 1 . 2]" 4
25 1 11 VAL H 1 60 PHE QD 3.650 . 5.500 3.616 3.036 4.402 . 0 0 "[ . 1 . 2]" 4
26 1 10 LYS H 1 11 VAL H 3.150 . 4.500 4.310 3.961 4.525 0.025 14 0 "[ . 1 . 2]" 4
27 1 11 VAL H 1 12 ASP H 3.650 . 5.500 4.535 4.303 4.681 . 0 0 "[ . 1 . 2]" 4
28 1 11 VAL MG1 1 12 ASP H 3.650 . 5.500 3.744 3.128 4.270 . 0 0 "[ . 1 . 2]" 4
29 1 11 VAL MG2 1 12 ASP H 3.150 . 4.500 2.508 1.828 3.630 . 0 0 "[ . 1 . 2]" 4
30 1 11 VAL HB 1 12 ASP H 3.150 . 4.500 4.111 2.649 4.412 . 0 0 "[ . 1 . 2]" 4
31 1 12 ASP H 1 13 CYS H 3.150 . 4.500 4.132 3.983 4.405 . 0 0 "[ . 1 . 2]" 4
32 1 12 ASP HB3 1 13 CYS H 3.150 . 4.500 4.267 4.088 4.350 . 0 0 "[ . 1 . 2]" 4
33 1 59 GLN H 1 60 PHE H 3.150 . 4.500 4.328 4.244 4.428 . 0 0 "[ . 1 . 2]" 4
34 1 12 ASP HB3 1 14 SER H 3.650 . 5.500 4.279 3.985 4.646 . 0 0 "[ . 1 . 2]" 4
35 1 13 CYS HB2 1 14 SER H 3.150 . 4.500 4.195 3.979 4.325 . 0 0 "[ . 1 . 2]" 4
36 1 13 CYS HB3 1 14 SER H 3.650 . 5.500 3.358 3.071 3.629 . 0 0 "[ . 1 . 2]" 4
37 1 13 CYS HA 1 14 SER H 3.150 . 4.500 3.329 3.234 3.413 . 0 0 "[ . 1 . 2]" 4
38 1 14 SER H 1 16 TYR QD 3.650 . 5.500 4.809 4.400 5.327 . 0 0 "[ . 1 . 2]" 4
39 1 14 SER H 1 16 TYR H 3.650 . 5.500 4.009 3.805 4.164 . 0 0 "[ . 1 . 2]" 4
40 1 15 ILE H 1 15 ILE HG12 3.150 . 4.500 2.051 1.899 2.200 . 0 0 "[ . 1 . 2]" 4
41 1 15 ILE H 1 15 ILE HB 3.150 . 4.500 3.661 3.625 3.699 . 0 0 "[ . 1 . 2]" 4
42 1 13 CYS HA 1 15 ILE H 3.650 . 5.500 4.142 3.949 4.334 . 0 0 "[ . 1 . 2]" 4
43 1 14 SER H 1 15 ILE H 3.150 . 4.500 2.696 2.470 2.918 . 0 0 "[ . 1 . 2]" 4
44 1 15 ILE HG12 1 16 TYR H 3.150 . 4.500 3.191 2.959 3.425 . 0 0 "[ . 1 . 2]" 4
45 1 15 ILE MD 1 16 TYR H 3.150 . 4.500 4.277 4.058 4.483 . 0 0 "[ . 1 . 2]" 4
46 1 15 ILE HB 1 16 TYR H 3.150 . 4.500 4.011 3.804 4.153 . 0 0 "[ . 1 . 2]" 4
47 1 16 TYR H 1 17 LYS HB2 3.650 . 5.500 4.369 3.862 4.683 . 0 0 "[ . 1 . 2]" 4
48 1 16 TYR H 1 17 LYS HB3 4.150 . 6.500 5.551 4.026 5.856 . 0 0 "[ . 1 . 2]" 4
49 1 13 CYS HB2 1 16 TYR H 4.150 . 6.500 5.696 5.601 5.829 . 0 0 "[ . 1 . 2]" 4
50 1 16 TYR H 1 17 LYS HA 3.650 . 5.500 4.802 4.590 4.928 . 0 0 "[ . 1 . 2]" 4
51 1 13 CYS HA 1 16 TYR H 3.650 . 5.500 3.430 3.301 3.554 . 0 0 "[ . 1 . 2]" 4
52 1 16 TYR H 1 16 TYR QE 3.650 . 5.500 4.696 4.486 4.970 . 0 0 "[ . 1 . 2]" 4
53 1 17 LYS H 1 52 LEU MD1 3.650 . 5.500 3.800 3.369 4.264 . 0 0 "[ . 1 . 2]" 4
54 1 17 LYS H 1 17 LYS HB3 3.150 . 4.500 3.461 2.385 3.665 . 0 0 "[ . 1 . 2]" 4
55 1 17 LYS H 1 17 LYS QD 3.650 . 5.500 3.965 3.415 4.649 . 0 0 "[ . 1 . 2]" 4
56 1 16 TYR HB2 1 17 LYS H 3.650 . 5.500 3.231 2.844 3.526 . 0 0 "[ . 1 . 2]" 4
57 1 16 TYR HB3 1 17 LYS H 3.650 . 5.500 4.071 3.757 4.243 . 0 0 "[ . 1 . 2]" 4
58 1 14 SER HA 1 17 LYS H 3.150 . 4.500 3.341 2.995 3.703 . 0 0 "[ . 1 . 2]" 4
59 1 16 TYR HA 1 17 LYS H 3.650 . 4.500 3.363 3.270 3.495 . 0 0 "[ . 1 . 2]" 4
60 1 16 TYR QD 1 17 LYS H 3.650 . 5.500 4.480 4.233 4.736 . 0 0 "[ . 1 . 2]" 4
61 1 18 LYS H 1 18 LYS HG2 3.650 . 5.500 3.427 2.125 4.466 . 0 0 "[ . 1 . 2]" 4
62 1 18 LYS H 1 18 LYS HG3 3.150 . 4.500 3.092 2.222 4.479 . 0 0 "[ . 1 . 2]" 4
63 1 17 LYS H 1 18 LYS H 3.150 . 4.500 2.571 2.370 2.752 . 0 0 "[ . 1 . 2]" 4
64 1 18 LYS HG2 1 19 TYR H 3.650 . 5.500 4.771 3.587 5.514 0.014 19 0 "[ . 1 . 2]" 4
65 1 18 LYS HG3 1 19 TYR H 3.650 . 5.500 4.634 3.443 5.524 0.024 9 0 "[ . 1 . 2]" 4
66 1 18 LYS QB 1 19 TYR H 3.650 . 5.500 3.291 2.772 3.940 . 0 0 "[ . 1 . 2]" 4
67 1 19 TYR H 1 24 ILE HG12 3.650 . 5.500 4.158 3.909 4.491 . 0 0 "[ . 1 . 2]" 4
68 1 19 TYR H 1 20 PRO HD2 3.650 . 5.500 4.768 4.693 4.827 . 0 0 "[ . 1 . 2]" 4
69 1 19 TYR H 1 20 PRO HD3 3.650 . 5.500 5.173 5.029 5.401 . 0 0 "[ . 1 . 2]" 4
70 1 16 TYR HA 1 19 TYR H 3.650 . 5.500 3.747 3.415 3.986 . 0 0 "[ . 1 . 2]" 4
71 1 19 TYR H 1 19 TYR QE 3.650 . 5.500 4.734 4.467 5.072 . 0 0 "[ . 1 . 2]" 4
72 1 20 PRO HB3 1 21 VAL H 3.150 . 4.500 3.754 3.294 3.923 . 0 0 "[ . 1 . 2]" 4
73 1 20 PRO HB2 1 22 VAL H 3.150 . 4.500 2.898 2.602 3.141 . 0 0 "[ . 1 . 2]" 4
74 1 21 VAL HA 1 22 VAL H 3.150 . 4.500 3.489 3.385 3.546 . 0 0 "[ . 1 . 2]" 4
75 1 22 VAL H 1 23 ALA HA 3.650 . 5.500 5.085 4.893 5.201 . 0 0 "[ . 1 . 2]" 4
76 1 20 PRO HA 1 22 VAL H 3.650 . 5.500 4.185 3.997 4.556 . 0 0 "[ . 1 . 2]" 4
77 1 22 VAL H 1 24 ILE H 4.150 . 6.500 5.822 5.596 5.993 . 0 0 "[ . 1 . 2]" 4
78 1 22 VAL MG2 1 23 ALA H 3.650 . 5.500 3.316 2.548 4.032 . 0 0 "[ . 1 . 2]" 4
79 1 20 PRO HG3 1 23 ALA H 3.150 . 4.500 4.402 4.142 4.522 0.022 15 0 "[ . 1 . 2]" 4
80 1 19 TYR HB2 1 23 ALA H 4.150 . 6.500 5.549 5.340 5.810 . 0 0 "[ . 1 . 2]" 4
81 1 20 PRO HD2 1 23 ALA H 3.650 . 5.500 4.717 4.145 5.144 . 0 0 "[ . 1 . 2]" 4
82 1 23 ALA H 1 24 ILE HA 3.650 . 5.500 4.724 4.567 4.838 . 0 0 "[ . 1 . 2]" 4
83 1 24 ILE H 1 24 ILE MG 3.150 . 4.500 3.849 3.802 3.901 . 0 0 "[ . 1 . 2]" 4
84 1 24 ILE H 1 24 ILE MD 3.150 . 4.500 4.129 4.037 4.273 . 0 0 "[ . 1 . 2]" 4
85 1 23 ALA MB 1 24 ILE H 3.150 . 4.500 3.525 3.496 3.565 . 0 0 "[ . 1 . 2]" 4
86 1 24 ILE H 1 25 PRO HD2 3.650 . 5.500 4.984 4.685 5.297 . 0 0 "[ . 1 . 2]" 4
87 1 19 TYR HB3 1 24 ILE H 3.650 . 5.500 5.099 4.833 5.278 . 0 0 "[ . 1 . 2]" 4
88 1 19 TYR HB2 1 24 ILE H 3.650 . 5.500 5.395 5.214 5.518 0.018 10 0 "[ . 1 . 2]" 4
89 1 24 ILE H 1 25 PRO HD3 3.650 . 5.500 4.282 3.926 4.685 . 0 0 "[ . 1 . 2]" 4
90 1 21 VAL HA 1 24 ILE H 4.150 . 6.500 5.813 5.251 6.515 0.015 19 0 "[ . 1 . 2]" 4
91 1 22 VAL HA 1 24 ILE H 3.650 . 5.500 5.103 4.875 5.367 . 0 0 "[ . 1 . 2]" 4
92 1 19 TYR QD 1 24 ILE H 4.150 . 6.500 6.052 5.839 6.264 . 0 0 "[ . 1 . 2]" 4
93 1 24 ILE MG 1 26 CYS H 3.650 . 5.500 4.638 4.454 4.794 . 0 0 "[ . 1 . 2]" 4
94 1 26 CYS H 1 27 PRO HD2 3.650 . 5.500 4.794 4.736 4.886 . 0 0 "[ . 1 . 2]" 4
95 1 28 ILE H 1 28 ILE MD 3.150 . 4.500 3.613 2.888 3.803 . 0 0 "[ . 1 . 2]" 4
96 1 28 ILE MG 1 29 THR H 3.650 . 5.500 4.168 4.066 4.329 . 0 0 "[ . 1 . 2]" 4
97 1 28 ILE HG13 1 29 THR H 3.650 . 5.500 3.122 2.598 3.978 . 0 0 "[ . 1 . 2]" 4
98 1 29 THR H 1 43 ASN HB3 4.150 . 6.500 5.713 5.441 6.017 . 0 0 "[ . 1 . 2]" 4
99 1 29 THR H 1 30 TYR HA 3.650 . 5.500 5.297 4.977 5.450 . 0 0 "[ . 1 . 2]" 4
100 1 29 THR H 1 43 ASN HD22 3.650 . 5.500 4.870 4.400 5.278 . 0 0 "[ . 1 . 2]" 4
101 1 29 THR H 1 43 ASN HD21 3.150 . 4.500 4.115 3.732 4.467 . 0 0 "[ . 1 . 2]" 4
102 1 29 THR H 1 30 TYR H 3.150 . 4.500 4.474 4.366 4.525 0.025 20 0 "[ . 1 . 2]" 4
103 1 30 TYR H 1 31 LEU MD1 3.650 . 5.500 4.996 3.496 5.528 0.028 12 0 "[ . 1 . 2]" 4
104 1 29 THR MG 1 30 TYR H 3.150 . 4.500 2.686 2.357 3.080 . 0 0 "[ . 1 . 2]" 4
105 1 30 TYR H 1 31 LEU HA 3.650 . 5.500 5.098 4.971 5.231 . 0 0 "[ . 1 . 2]" 4
106 1 30 TYR H 1 30 TYR QE 4.150 . 6.500 6.246 6.200 6.306 . 0 0 "[ . 1 . 2]" 4
107 1 30 TYR H 1 30 TYR QD 3.150 . 4.500 4.215 4.165 4.272 . 0 0 "[ . 1 . 2]" 4
108 1 30 TYR H 1 43 ASN HD21 3.650 . 5.500 5.112 4.839 5.389 . 0 0 "[ . 1 . 2]" 4
109 1 30 TYR H 1 31 LEU H 3.150 . 4.500 4.281 4.114 4.412 . 0 0 "[ . 1 . 2]" 4
110 1 31 LEU H 1 33 VAL MG2 3.650 . 5.500 5.185 4.957 5.296 . 0 0 "[ . 1 . 2]" 4
111 1 31 LEU H 1 31 LEU MD1 3.650 . 5.500 3.689 2.432 4.198 . 0 0 "[ . 1 . 2]" 4
112 1 31 LEU H 1 33 VAL MG1 3.650 . 5.500 4.795 4.675 4.910 . 0 0 "[ . 1 . 2]" 4
113 1 29 THR MG 1 31 LEU H 3.650 . 5.500 4.305 4.050 4.610 . 0 0 "[ . 1 . 2]" 4
114 1 31 LEU H 1 32 PRO HD2 3.150 . 4.500 4.490 4.433 4.552 0.052 6 0 "[ . 1 . 2]" 4
115 1 31 LEU H 1 32 PRO HD3 3.150 . 4.500 3.987 3.603 4.136 . 0 0 "[ . 1 . 2]" 4
116 1 29 THR HB 1 31 LEU H 3.650 . 5.500 5.143 4.777 5.525 0.025 17 0 "[ . 1 . 2]" 4
117 1 31 LEU H 1 42 GLY HA3 3.650 . 5.500 4.675 4.560 4.812 . 0 0 "[ . 1 . 2]" 4
118 1 31 LEU H 1 32 PRO HA 3.650 . 5.500 4.471 4.350 4.617 . 0 0 "[ . 1 . 2]" 4
119 1 31 LEU H 1 43 ASN HD22 3.650 . 5.500 5.324 5.099 5.507 0.007 5 0 "[ . 1 . 2]" 4
120 1 30 TYR QE 1 31 LEU H 3.650 . 5.500 4.940 4.523 5.214 . 0 0 "[ . 1 . 2]" 4
121 1 30 TYR QD 1 31 LEU H 3.150 . 4.500 3.822 3.439 4.049 . 0 0 "[ . 1 . 2]" 4
122 1 31 LEU H 1 43 ASN H 3.650 . 5.500 4.548 4.399 4.676 . 0 0 "[ . 1 . 2]" 4
123 1 31 LEU H 1 43 ASN HD21 3.150 . 4.500 3.826 3.574 4.041 . 0 0 "[ . 1 . 2]" 4
124 1 31 LEU H 1 33 VAL H 4.150 . 6.500 5.500 5.392 5.680 . 0 0 "[ . 1 . 2]" 4
125 1 31 LEU H 1 44 GLU H 3.650 . 5.500 4.825 4.619 5.172 . 0 0 "[ . 1 . 2]" 4
126 1 32 PRO HD2 1 33 VAL H 4.150 . 6.500 5.505 5.386 5.581 . 0 0 "[ . 1 . 2]" 4
127 1 33 VAL H 1 33 VAL HB 3.150 . 4.500 3.855 3.828 3.883 . 0 0 "[ . 1 . 2]" 4
128 1 33 VAL H 1 41 TYR HB2 3.150 . 4.500 3.583 3.301 3.933 . 0 0 "[ . 1 . 2]" 4
129 1 33 VAL H 1 41 TYR HB3 3.650 . 5.500 4.769 4.600 5.058 . 0 0 "[ . 1 . 2]" 4
130 1 32 PRO HD3 1 33 VAL H 3.650 . 5.500 5.409 5.345 5.487 . 0 0 "[ . 1 . 2]" 4
131 1 33 VAL H 1 42 GLY HA2 3.150 . 4.500 4.511 4.430 4.536 0.036 19 0 "[ . 1 . 2]" 4
132 1 33 VAL H 1 34 CYS HA 3.650 . 5.500 4.649 4.584 4.727 . 0 0 "[ . 1 . 2]" 4
133 1 33 VAL H 1 41 TYR QD 3.650 . 5.500 4.800 4.463 5.129 . 0 0 "[ . 1 . 2]" 4
134 1 33 VAL H 1 43 ASN H 3.650 . 5.500 4.455 4.193 4.638 . 0 0 "[ . 1 . 2]" 4
135 1 33 VAL H 1 34 CYS H 3.150 . 4.500 4.364 4.331 4.419 . 0 0 "[ . 1 . 2]" 4
136 1 34 CYS H 1 47 LEU MD1 3.650 . 5.500 5.206 4.863 5.471 . 0 0 "[ . 1 . 2]" 4
137 1 33 VAL MG2 1 34 CYS H 3.650 . 5.500 3.608 3.463 3.703 . 0 0 "[ . 1 . 2]" 4
138 1 34 CYS H 1 41 TYR HB2 3.650 . 5.500 5.535 5.517 5.549 0.049 1 0 "[ . 1 . 2]" 4
139 1 34 CYS H 1 62 HIS HB3 4.150 . 6.500 6.065 5.946 6.161 . 0 0 "[ . 1 . 2]" 4
140 1 34 CYS H 1 64 GLY HA2 3.650 . 5.500 5.487 5.320 5.535 0.035 20 0 "[ . 1 . 2]" 4
141 1 34 CYS H 1 60 PHE HA 3.650 . 5.500 5.018 4.573 5.278 . 0 0 "[ . 1 . 2]" 4
142 1 34 CYS H 1 62 HIS HA 3.650 . 5.500 5.051 4.955 5.188 . 0 0 "[ . 1 . 2]" 4
143 1 34 CYS H 1 60 PHE QE 3.650 . 5.500 4.114 2.845 4.578 . 0 0 "[ . 1 . 2]" 4
144 1 34 CYS H 1 64 GLY H 3.150 . 4.500 3.935 3.831 4.109 . 0 0 "[ . 1 . 2]" 4
145 1 34 CYS H 1 62 HIS HE1 3.650 . 5.500 5.324 5.140 5.465 . 0 0 "[ . 1 . 2]" 4
146 1 34 CYS H 1 35 GLY H 3.650 . 4.500 4.314 4.246 4.347 . 0 0 "[ . 1 . 2]" 4
147 1 34 CYS H 1 41 TYR H 3.650 . 5.500 4.816 4.777 4.884 . 0 0 "[ . 1 . 2]" 4
148 1 34 CYS H 1 63 ASP H 3.650 . 5.500 4.907 4.644 5.112 . 0 0 "[ . 1 . 2]" 4
149 1 35 GLY H 1 39 ILE MG 3.650 . 5.500 4.644 4.319 4.803 . 0 0 "[ . 1 . 2]" 4
150 1 35 GLY H 1 47 LEU MD1 3.650 . 5.500 3.630 3.485 3.783 . 0 0 "[ . 1 . 2]" 4
151 1 35 GLY H 1 58 VAL MG2 3.650 . 5.500 3.948 3.600 4.223 . 0 0 "[ . 1 . 2]" 4
152 1 35 GLY H 1 39 ILE HG12 3.650 . 5.500 5.494 5.329 5.551 0.051 7 0 "[ . 1 . 2]" 4
153 1 34 CYS HB2 1 35 GLY H 3.150 . 4.500 4.168 4.132 4.235 . 0 0 "[ . 1 . 2]" 4
154 1 35 GLY H 1 39 ILE HB 3.650 . 5.500 3.982 3.758 4.125 . 0 0 "[ . 1 . 2]" 4
155 1 33 VAL HB 1 35 GLY H 3.650 . 5.500 5.459 5.343 5.513 0.013 7 0 "[ . 1 . 2]" 4
156 1 34 CYS HB3 1 35 GLY H 3.150 . 4.500 4.210 4.146 4.285 . 0 0 "[ . 1 . 2]" 4
157 1 35 GLY H 1 41 TYR HB2 3.650 . 5.500 5.030 4.812 5.301 . 0 0 "[ . 1 . 2]" 4
158 1 35 GLY H 1 40 THR H 3.650 . 5.500 4.982 4.794 5.233 . 0 0 "[ . 1 . 2]" 4
159 1 35 GLY H 1 61 LEU H 3.650 . 5.500 4.576 4.461 4.654 . 0 0 "[ . 1 . 2]" 4
160 1 35 GLY H 1 36 SER H 3.150 . 4.500 4.522 4.507 4.532 0.032 6 0 "[ . 1 . 2]" 4
161 1 35 GLY H 1 41 TYR H 3.150 . 4.500 4.216 3.935 4.460 . 0 0 "[ . 1 . 2]" 4
162 1 36 SER H 1 47 LEU MD1 3.150 . 4.500 3.735 3.540 4.043 . 0 0 "[ . 1 . 2]" 4
163 1 36 SER H 1 58 VAL MG2 3.650 . 5.500 2.574 2.339 2.953 . 0 0 "[ . 1 . 2]" 4
164 1 36 SER H 1 58 VAL MG1 3.650 . 5.500 4.946 4.753 5.160 . 0 0 "[ . 1 . 2]" 4
165 1 36 SER H 1 58 VAL HB 3.650 . 5.500 4.886 4.687 5.161 . 0 0 "[ . 1 . 2]" 4
166 1 36 SER H 1 59 GLN HB2 3.650 . 5.500 4.363 3.601 5.280 . 0 0 "[ . 1 . 2]" 4
167 1 36 SER H 1 59 GLN QG 3.650 . 5.500 5.193 4.892 5.550 0.050 9 0 "[ . 1 . 2]" 4
168 1 36 SER H 1 37 ASP HB3 3.650 . 5.500 5.043 4.812 5.318 . 0 0 "[ . 1 . 2]" 4
169 1 36 SER H 1 61 LEU MD2 3.650 . 5.500 4.378 4.295 4.540 . 0 0 "[ . 1 . 2]" 4
170 1 36 SER H 1 60 PHE HA 3.150 . 4.500 4.054 3.757 4.296 . 0 0 "[ . 1 . 2]" 4
171 1 36 SER H 1 37 ASP HA 3.650 . 5.500 5.309 5.136 5.430 . 0 0 "[ . 1 . 2]" 4
172 1 36 SER H 1 59 GLN HA 3.150 . 4.500 4.461 4.342 4.540 0.040 5 0 "[ . 1 . 2]" 4
173 1 36 SER H 1 62 HIS H 4.150 . 6.500 5.610 5.478 5.798 . 0 0 "[ . 1 . 2]" 4
174 1 36 SER H 1 58 VAL H 4.150 . 6.500 6.192 5.893 6.449 . 0 0 "[ . 1 . 2]" 4
175 1 36 SER H 1 39 ILE H 3.650 . 5.500 5.357 5.175 5.498 . 0 0 "[ . 1 . 2]" 4
176 1 36 SER H 1 61 LEU H 3.150 . 4.500 3.588 3.280 3.801 . 0 0 "[ . 1 . 2]" 4
177 1 36 SER H 1 38 TYR H 3.150 . 4.500 4.201 4.006 4.370 . 0 0 "[ . 1 . 2]" 4
178 1 37 ASP H 1 47 LEU MD1 3.650 . 5.500 4.741 4.528 4.935 . 0 0 "[ . 1 . 2]" 4
179 1 37 ASP H 1 58 VAL MG2 3.150 . 4.500 1.981 1.848 2.247 . 0 0 "[ . 1 . 2]" 4
180 1 37 ASP H 1 58 VAL HB 3.650 . 5.500 3.746 3.414 4.104 . 0 0 "[ . 1 . 2]" 4
181 1 37 ASP H 1 39 ILE HB 3.650 . 5.500 4.721 4.357 4.946 . 0 0 "[ . 1 . 2]" 4
182 1 37 ASP H 1 38 TYR HB2 4.150 . 6.500 5.533 5.118 5.751 . 0 0 "[ . 1 . 2]" 4
183 1 36 SER HB2 1 37 ASP H 3.150 . 4.500 3.396 2.919 4.170 . 0 0 "[ . 1 . 2]" 4
184 1 35 GLY HA3 1 37 ASP H 3.150 . 4.500 3.051 2.902 3.183 . 0 0 "[ . 1 . 2]" 4
185 1 37 ASP H 1 38 TYR QD 3.650 . 5.500 5.167 4.535 5.534 0.034 6 0 "[ . 1 . 2]" 4
186 1 37 ASP H 1 61 LEU H 4.150 . 6.500 5.815 5.547 6.003 . 0 0 "[ . 1 . 2]" 4
187 1 37 ASP H 1 59 GLN H 3.650 . 5.500 4.058 3.712 4.356 . 0 0 "[ . 1 . 2]" 4
188 1 38 TYR H 1 39 ILE MG 4.150 . 6.500 5.849 5.745 5.912 . 0 0 "[ . 1 . 2]" 4
189 1 38 TYR H 1 61 LEU HB2 3.650 . 5.500 4.469 4.262 4.688 . 0 0 "[ . 1 . 2]" 4
190 1 38 TYR H 1 61 LEU MD1 3.650 . 5.500 4.921 4.775 5.121 . 0 0 "[ . 1 . 2]" 4
191 1 38 TYR H 1 61 LEU MD2 3.650 . 5.500 3.400 3.171 3.686 . 0 0 "[ . 1 . 2]" 4
192 1 38 TYR H 1 39 ILE HG12 3.150 . 4.500 4.203 4.090 4.284 . 0 0 "[ . 1 . 2]" 4
193 1 38 TYR H 1 61 LEU HB3 3.650 . 5.500 5.056 4.904 5.210 . 0 0 "[ . 1 . 2]" 4
194 1 37 ASP HB2 1 38 TYR H 3.650 . 5.500 4.283 4.085 4.375 . 0 0 "[ . 1 . 2]" 4
195 1 38 TYR H 1 38 TYR HB3 3.150 . 4.500 4.080 3.886 4.138 . 0 0 "[ . 1 . 2]" 4
196 1 36 SER HB2 1 38 TYR H 3.650 . 5.500 4.864 4.726 4.997 . 0 0 "[ . 1 . 2]" 4
197 1 36 SER HB3 1 38 TYR H 3.650 . 5.500 5.181 5.008 5.340 . 0 0 "[ . 1 . 2]" 4
198 1 35 GLY HA3 1 38 TYR H 3.150 . 4.500 4.093 3.884 4.311 . 0 0 "[ . 1 . 2]" 4
199 1 34 CYS HA 1 38 TYR H 4.150 . 6.500 5.752 5.550 5.897 . 0 0 "[ . 1 . 2]" 4
200 1 38 TYR H 1 38 TYR QE 3.650 . 5.500 4.849 4.632 5.539 0.039 6 0 "[ . 1 . 2]" 4
201 1 38 TYR H 1 38 TYR QD 3.650 . 5.500 3.505 2.973 3.712 . 0 0 "[ . 1 . 2]" 4
202 1 39 ILE H 1 39 ILE MG 3.150 . 4.500 3.827 3.799 3.868 . 0 0 "[ . 1 . 2]" 4
203 1 39 ILE H 1 39 ILE MD 3.150 . 4.500 3.585 3.441 3.749 . 0 0 "[ . 1 . 2]" 4
204 1 37 ASP HB3 1 39 ILE H 3.150 . 4.500 3.328 2.953 3.674 . 0 0 "[ . 1 . 2]" 4
205 1 37 ASP HB2 1 39 ILE H 3.650 . 5.500 4.828 4.503 5.149 . 0 0 "[ . 1 . 2]" 4
206 1 38 TYR HB3 1 39 ILE H 3.150 . 4.500 4.380 4.266 4.461 . 0 0 "[ . 1 . 2]" 4
207 1 38 TYR HB2 1 39 ILE H 3.150 . 4.500 4.171 4.018 4.494 . 0 0 "[ . 1 . 2]" 4
208 1 36 SER HA 1 39 ILE H 4.150 . 6.500 5.611 5.443 5.824 . 0 0 "[ . 1 . 2]" 4
209 1 37 ASP HA 1 39 ILE H 3.650 . 5.500 4.712 4.534 4.951 . 0 0 "[ . 1 . 2]" 4
210 1 35 GLY HA3 1 39 ILE H 3.650 . 5.500 3.760 3.485 3.984 . 0 0 "[ . 1 . 2]" 4
211 1 34 CYS HA 1 39 ILE H 3.650 . 5.500 4.598 4.180 4.864 . 0 0 "[ . 1 . 2]" 4
212 1 39 ILE H 1 40 THR H 3.150 . 4.500 4.336 4.249 4.415 . 0 0 "[ . 1 . 2]" 4
213 1 39 ILE MD 1 40 THR H 3.650 . 5.500 3.799 3.614 3.910 . 0 0 "[ . 1 . 2]" 4
214 1 39 ILE HG12 1 40 THR H 3.650 . 5.500 5.152 5.071 5.231 . 0 0 "[ . 1 . 2]" 4
215 1 40 THR H 1 40 THR MG 3.650 . 5.500 3.760 3.732 3.781 . 0 0 "[ . 1 . 2]" 4
216 1 39 ILE HG13 1 40 THR H 3.650 . 5.500 5.456 5.330 5.510 0.010 2 0 "[ . 1 . 2]" 4
217 1 39 ILE HB 1 40 THR H 3.150 . 4.500 4.142 4.078 4.242 . 0 0 "[ . 1 . 2]" 4
218 1 40 THR H 1 66 CYS HB2 3.650 . 5.500 4.274 4.108 4.435 . 0 0 "[ . 1 . 2]" 4
219 1 40 THR H 1 66 CYS HB3 3.650 . 5.500 5.511 5.390 5.545 0.045 17 0 "[ . 1 . 2]" 4
220 1 34 CYS HA 1 40 THR H 3.650 . 5.500 4.751 4.565 4.877 . 0 0 "[ . 1 . 2]" 4
221 1 40 THR H 1 41 TYR H 3.650 . 4.500 4.428 4.250 4.523 0.023 16 0 "[ . 1 . 2]" 4
222 1 39 ILE MG 1 41 TYR H 3.650 . 5.500 4.298 3.830 4.618 . 0 0 "[ . 1 . 2]" 4
223 1 41 TYR H 1 47 LEU MD1 3.650 . 5.500 4.850 4.509 5.165 . 0 0 "[ . 1 . 2]" 4
224 1 33 VAL MG2 1 41 TYR H 3.650 . 5.500 2.955 2.871 3.090 . 0 0 "[ . 1 . 2]" 4
225 1 32 PRO HB2 1 41 TYR H 4.150 . 6.500 5.715 5.364 6.143 . 0 0 "[ . 1 . 2]" 4
226 1 32 PRO HB3 1 41 TYR H 4.150 . 6.500 5.734 5.446 6.114 . 0 0 "[ . 1 . 2]" 4
227 1 33 VAL HB 1 41 TYR H 3.650 . 5.500 4.938 4.861 5.059 . 0 0 "[ . 1 . 2]" 4
228 1 34 CYS HB3 1 41 TYR H 4.150 . 6.500 6.033 5.939 6.100 . 0 0 "[ . 1 . 2]" 4
229 1 41 TYR H 1 46 HIS HB2 4.150 . 6.500 6.047 5.832 6.315 . 0 0 "[ . 1 . 2]" 4
230 1 40 THR HB 1 41 TYR H 3.150 . 4.500 4.129 4.025 4.276 . 0 0 "[ . 1 . 2]" 4
231 1 41 TYR H 1 65 SER HA 3.650 . 5.500 4.850 4.459 5.091 . 0 0 "[ . 1 . 2]" 4
232 1 41 TYR H 1 43 ASN H 3.650 . 5.500 4.972 4.787 5.101 . 0 0 "[ . 1 . 2]" 4
233 1 41 TYR H 1 66 CYS H 3.650 . 5.500 5.419 5.220 5.535 0.035 5 0 "[ . 1 . 2]" 4
234 1 41 TYR H 1 42 GLY H 3.650 . 5.500 4.460 4.405 4.513 . 0 0 "[ . 1 . 2]" 4
235 1 33 VAL MG2 1 42 GLY H 3.650 . 5.500 4.496 4.322 4.641 . 0 0 "[ . 1 . 2]" 4
236 1 40 THR MG 1 42 GLY H 3.650 . 5.500 4.762 4.504 4.895 . 0 0 "[ . 1 . 2]" 4
237 1 41 TYR HB2 1 42 GLY H 3.150 . 4.500 3.834 3.748 3.970 . 0 0 "[ . 1 . 2]" 4
238 1 42 GLY H 1 46 HIS HB2 3.150 . 4.500 3.159 2.749 3.417 . 0 0 "[ . 1 . 2]" 4
239 1 42 GLY H 1 43 ASN HA 3.650 . 5.500 5.111 4.999 5.196 . 0 0 "[ . 1 . 2]" 4
240 1 30 TYR QE 1 42 GLY H 3.650 . 5.500 4.503 4.328 4.838 . 0 0 "[ . 1 . 2]" 4
241 1 41 TYR QD 1 42 GLY H 3.650 . 5.500 3.704 3.563 3.904 . 0 0 "[ . 1 . 2]" 4
242 1 42 GLY H 1 46 HIS HD2 3.150 . 4.500 3.575 2.960 4.167 . 0 0 "[ . 1 . 2]" 4
243 1 42 GLY H 1 47 LEU H 3.650 . 5.500 5.346 4.981 5.507 0.007 2 0 "[ . 1 . 2]" 4
244 1 42 GLY H 1 46 HIS H 3.650 . 5.500 5.306 5.108 5.507 0.007 7 0 "[ . 1 . 2]" 4
245 1 33 VAL H 1 42 GLY H 3.650 . 5.500 5.147 5.065 5.213 . 0 0 "[ . 1 . 2]" 4
246 1 33 VAL MG2 1 43 ASN H 3.650 . 5.500 3.184 3.024 3.356 . 0 0 "[ . 1 . 2]" 4
247 1 33 VAL MG1 1 43 ASN H 3.650 . 5.500 4.700 4.536 4.891 . 0 0 "[ . 1 . 2]" 4
248 1 43 ASN H 1 43 ASN HB3 3.150 . 4.500 3.669 3.640 3.711 . 0 0 "[ . 1 . 2]" 4
249 1 43 ASN H 1 44 GLU HA 3.650 . 5.500 4.783 4.532 5.290 . 0 0 "[ . 1 . 2]" 4
250 1 43 ASN H 1 43 ASN HD22 4.150 . 6.500 5.187 5.040 5.392 . 0 0 "[ . 1 . 2]" 4
251 1 41 TYR QD 1 43 ASN H 3.650 . 5.500 4.590 4.452 4.877 . 0 0 "[ . 1 . 2]" 4
252 1 43 ASN H 1 47 LEU H 3.150 . 4.500 3.944 3.493 4.169 . 0 0 "[ . 1 . 2]" 4
253 1 43 ASN H 1 46 HIS H 3.150 . 4.500 3.656 3.414 3.825 . 0 0 "[ . 1 . 2]" 4
254 1 43 ASN H 1 43 ASN HD21 3.650 . 5.500 5.013 4.928 5.129 . 0 0 "[ . 1 . 2]" 4
255 1 33 VAL MG2 1 44 GLU H 3.650 . 5.500 3.606 3.369 3.825 . 0 0 "[ . 1 . 2]" 4
256 1 31 LEU MD1 1 44 GLU H 3.650 . 5.500 3.526 2.843 4.103 . 0 0 "[ . 1 . 2]" 4
257 1 33 VAL MG1 1 44 GLU H 3.650 . 5.500 3.445 3.016 3.769 . 0 0 "[ . 1 . 2]" 4
258 1 31 LEU HB2 1 44 GLU H 3.650 . 5.500 3.260 2.901 3.787 . 0 0 "[ . 1 . 2]" 4
259 1 31 LEU HB3 1 44 GLU H 3.650 . 5.500 4.575 4.159 5.116 . 0 0 "[ . 1 . 2]" 4
260 1 44 GLU H 1 44 GLU HG3 3.150 . 4.500 2.671 1.789 3.876 0.011 13 0 "[ . 1 . 2]" 4
261 1 44 GLU H 1 47 LEU HB2 3.650 . 5.500 5.474 5.284 5.539 0.039 6 0 "[ . 1 . 2]" 4
262 1 43 ASN HD22 1 44 GLU H 3.650 . 5.500 5.428 5.224 5.513 0.013 2 0 "[ . 1 . 2]" 4
263 1 43 ASN H 1 44 GLU H 3.650 . 5.500 4.266 4.216 4.294 . 0 0 "[ . 1 . 2]" 4
264 1 44 GLU H 1 47 LEU H 3.650 . 5.500 4.824 4.667 5.013 . 0 0 "[ . 1 . 2]" 4
265 1 43 ASN HD21 1 44 GLU H 3.650 . 5.500 4.858 4.664 4.966 . 0 0 "[ . 1 . 2]" 4
266 1 44 GLU HB3 1 45 CYS H 3.150 . 4.500 4.029 3.475 4.377 . 0 0 "[ . 1 . 2]" 4
267 1 44 GLU HG3 1 45 CYS H 3.150 . 4.500 3.787 2.240 4.441 . 0 0 "[ . 1 . 2]" 4
268 1 43 ASN HB3 1 45 CYS H 3.650 . 5.500 4.562 4.426 4.759 . 0 0 "[ . 1 . 2]" 4
269 1 43 ASN HB2 1 45 CYS H 3.150 . 4.500 3.172 2.933 3.459 . 0 0 "[ . 1 . 2]" 4
270 1 44 GLU HA 1 45 CYS H 3.150 . 4.500 3.468 3.426 3.534 . 0 0 "[ . 1 . 2]" 4
271 1 27 PRO HD2 1 45 CYS H 3.650 . 5.500 3.748 3.063 4.141 . 0 0 "[ . 1 . 2]" 4
272 1 43 ASN HA 1 45 CYS H 3.650 . 5.500 4.488 4.373 4.658 . 0 0 "[ . 1 . 2]" 4
273 1 16 TYR QE 1 45 CYS H 3.650 . 5.500 4.143 3.713 4.792 . 0 0 "[ . 1 . 2]" 4
274 1 26 CYS HA 1 45 CYS H 3.650 . 5.500 5.195 4.415 5.536 0.036 4 0 "[ . 1 . 2]" 4
275 1 45 CYS H 1 47 LEU H 3.650 . 4.500 4.065 3.893 4.196 . 0 0 "[ . 1 . 2]" 4
276 1 33 VAL MG2 1 46 HIS H 3.650 . 5.500 4.892 4.712 5.065 . 0 0 "[ . 1 . 2]" 4
277 1 46 HIS H 1 47 LEU HB3 3.650 . 5.500 4.600 4.448 4.685 . 0 0 "[ . 1 . 2]" 4
278 1 46 HIS H 1 47 LEU HB2 3.650 . 5.500 4.994 4.851 5.106 . 0 0 "[ . 1 . 2]" 4
279 1 46 HIS H 1 48 CYS HB3 3.650 . 5.500 5.138 4.940 5.366 . 0 0 "[ . 1 . 2]" 4
280 1 44 GLU HA 1 46 HIS H 3.650 . 5.500 4.360 4.036 4.861 . 0 0 "[ . 1 . 2]" 4
281 1 41 TYR QD 1 46 HIS H 4.150 . 6.500 5.311 4.980 5.827 . 0 0 "[ . 1 . 2]" 4
282 1 46 HIS H 1 46 HIS HD2 3.150 . 4.500 3.136 2.607 3.527 . 0 0 "[ . 1 . 2]" 4
283 1 46 HIS H 1 48 CYS H 3.650 . 5.500 4.144 3.989 4.258 . 0 0 "[ . 1 . 2]" 4
284 1 47 LEU H 1 47 LEU MD1 3.650 . 5.500 4.185 4.154 4.226 . 0 0 "[ . 1 . 2]" 4
285 1 33 VAL MG2 1 47 LEU H 3.150 . 4.500 3.651 3.529 3.892 . 0 0 "[ . 1 . 2]" 4
286 1 47 LEU H 1 48 CYS HB3 3.650 . 5.500 4.749 4.556 4.954 . 0 0 "[ . 1 . 2]" 4
287 1 41 TYR QD 1 47 LEU H 3.650 . 5.500 4.067 3.757 4.497 . 0 0 "[ . 1 . 2]" 4
288 1 46 HIS HD2 1 47 LEU H 3.650 . 5.500 4.882 4.570 5.132 . 0 0 "[ . 1 . 2]" 4
289 1 47 LEU MD1 1 48 CYS H 3.650 . 5.500 4.313 4.263 4.355 . 0 0 "[ . 1 . 2]" 4
290 1 47 LEU MD2 1 48 CYS H 3.650 . 5.500 4.132 3.991 4.298 . 0 0 "[ . 1 . 2]" 4
291 1 44 GLU HB3 1 48 CYS H 3.650 . 5.500 5.358 4.715 5.592 0.092 12 0 "[ . 1 . 2]" 4
292 1 45 CYS HA 1 48 CYS H 3.150 . 4.500 3.498 3.246 3.693 . 0 0 "[ . 1 . 2]" 4
293 1 48 CYS H 1 51 SER HB2 3.650 . 5.500 4.758 4.509 5.002 . 0 0 "[ . 1 . 2]" 4
294 1 44 GLU HA 1 48 CYS H 3.150 . 4.500 3.825 3.677 4.160 . 0 0 "[ . 1 . 2]" 4
295 1 48 CYS H 1 50 GLU H 3.650 . 5.500 4.385 4.235 4.573 . 0 0 "[ . 1 . 2]" 4
296 1 48 CYS HB3 1 49 THR H 3.150 . 4.500 2.707 2.567 2.892 . 0 0 "[ . 1 . 2]" 4
297 1 48 CYS HB2 1 49 THR H 3.150 . 4.500 4.011 3.911 4.137 . 0 0 "[ . 1 . 2]" 4
298 1 45 CYS HA 1 49 THR H 3.150 . 4.500 4.059 3.729 4.231 . 0 0 "[ . 1 . 2]" 4
299 1 47 LEU H 1 49 THR H 3.650 . 5.500 4.111 4.001 4.275 . 0 0 "[ . 1 . 2]" 4
300 1 47 LEU MD1 1 50 GLU H 3.650 . 5.500 4.720 4.490 5.058 . 0 0 "[ . 1 . 2]" 4
301 1 50 GLU H 1 58 VAL MG2 4.150 . 6.500 5.858 5.458 6.206 . 0 0 "[ . 1 . 2]" 4
302 1 50 GLU H 1 58 VAL MG1 3.650 . 5.500 4.450 4.002 4.710 . 0 0 "[ . 1 . 2]" 4
303 1 47 LEU HG 1 50 GLU H 4.150 . 6.500 5.726 5.524 5.901 . 0 0 "[ . 1 . 2]" 4
304 1 49 THR MG 1 50 GLU H 3.650 . 5.500 3.542 3.281 4.085 . 0 0 "[ . 1 . 2]" 4
305 1 50 GLU H 1 50 GLU HG2 3.150 . 4.500 3.749 2.178 4.538 0.038 9 0 "[ . 1 . 2]" 4
306 1 48 CYS HB3 1 50 GLU H 3.650 . 5.500 5.260 5.090 5.430 . 0 0 "[ . 1 . 2]" 4
307 1 47 LEU HA 1 50 GLU H 3.150 . 4.500 3.691 3.471 3.911 . 0 0 "[ . 1 . 2]" 4
308 1 50 GLU H 1 50 GLU HG3 3.150 . 4.500 4.178 3.611 4.489 . 0 0 "[ . 1 . 2]" 4
309 1 50 GLU H 1 51 SER HA 3.650 . 5.500 5.145 5.073 5.210 . 0 0 "[ . 1 . 2]" 4
310 1 50 GLU H 1 52 LEU H 3.650 . 5.500 4.278 4.096 4.504 . 0 0 "[ . 1 . 2]" 4
311 1 51 SER H 1 54 SER H 3.650 . 5.500 4.729 4.565 4.959 . 0 0 "[ . 1 . 2]" 4
312 1 47 LEU HA 1 51 SER H 3.650 . 5.500 4.107 4.004 4.212 . 0 0 "[ . 1 . 2]" 4
313 1 48 CYS HB2 1 51 SER H 4.150 . 6.500 5.566 5.336 5.712 . 0 0 "[ . 1 . 2]" 4
314 1 48 CYS HB3 1 51 SER H 3.650 . 5.500 5.441 5.310 5.513 0.013 13 0 "[ . 1 . 2]" 4
315 1 50 GLU HG2 1 51 SER H 3.650 . 5.500 4.747 4.193 5.352 . 0 0 "[ . 1 . 2]" 4
316 1 50 GLU HG3 1 51 SER H 3.650 . 5.500 4.577 3.978 5.167 . 0 0 "[ . 1 . 2]" 4
317 1 51 SER H 1 58 VAL HB 4.150 . 6.500 6.218 5.574 6.511 0.011 6 0 "[ . 1 . 2]" 4
318 1 49 THR MG 1 51 SER H 3.650 . 5.500 5.102 4.894 5.459 . 0 0 "[ . 1 . 2]" 4
319 1 47 LEU HG 1 51 SER H 3.650 . 5.500 4.664 4.405 4.846 . 0 0 "[ . 1 . 2]" 4
320 1 51 SER H 1 58 VAL MG1 3.650 . 5.500 3.164 2.790 3.351 . 0 0 "[ . 1 . 2]" 4
321 1 51 SER H 1 58 VAL MG2 3.650 . 5.500 4.887 4.572 5.146 . 0 0 "[ . 1 . 2]" 4
322 1 47 LEU MD1 1 51 SER H 3.650 . 5.500 3.971 3.781 4.225 . 0 0 "[ . 1 . 2]" 4
323 1 52 LEU H 1 52 LEU MD1 3.150 . 4.500 3.657 3.504 3.735 . 0 0 "[ . 1 . 2]" 4
324 1 49 THR MG 1 52 LEU H 3.650 . 5.500 5.034 4.782 5.406 . 0 0 "[ . 1 . 2]" 4
325 1 51 SER HA 1 52 LEU H 3.150 . 4.500 3.551 3.514 3.586 . 0 0 "[ . 1 . 2]" 4
326 1 48 CYS HA 1 52 LEU H 3.150 . 4.500 3.893 3.717 4.067 . 0 0 "[ . 1 . 2]" 4
327 1 52 LEU H 1 54 SER H 3.650 . 5.500 4.170 3.966 4.412 . 0 0 "[ . 1 . 2]" 4
328 1 52 LEU MD1 1 53 LYS H 3.650 . 5.500 4.495 4.246 4.754 . 0 0 "[ . 1 . 2]" 4
329 1 21 VAL MG1 1 53 LYS H 3.650 . 5.500 3.465 2.795 4.910 . 0 0 "[ . 1 . 2]" 4
330 1 49 THR MG 1 53 LYS H 3.650 . 5.500 4.513 4.141 5.503 0.003 19 0 "[ . 1 . 2]" 4
331 1 52 LEU HB2 1 53 LYS H 3.150 . 4.500 2.583 2.338 2.859 . 0 0 "[ . 1 . 2]" 4
332 1 49 THR HA 1 53 LYS H 3.650 . 5.500 4.204 3.933 4.663 . 0 0 "[ . 1 . 2]" 4
333 1 53 LYS H 1 54 SER H 3.150 . 3.500 2.742 2.532 2.962 . 0 0 "[ . 1 . 2]" 4
334 1 51 SER H 1 53 LYS H 3.650 . 5.500 4.049 3.890 4.189 . 0 0 "[ . 1 . 2]" 4
335 1 54 SER H 1 58 VAL MG1 3.650 . 5.500 4.000 3.508 4.676 . 0 0 "[ . 1 . 2]" 4
336 1 53 LYS HG2 1 54 SER H 3.650 . 5.500 4.171 3.171 5.169 . 0 0 "[ . 1 . 2]" 4
337 1 51 SER HB2 1 54 SER H 4.150 . 6.500 5.887 5.671 6.101 . 0 0 "[ . 1 . 2]" 4
338 1 54 SER H 1 55 ASN HA 3.650 . 5.500 4.551 4.283 4.927 . 0 0 "[ . 1 . 2]" 4
339 1 54 SER H 1 58 VAL H 3.650 . 5.500 4.962 4.660 5.287 . 0 0 "[ . 1 . 2]" 4
340 1 54 SER H 1 57 ARG H 3.650 . 5.500 4.665 4.177 5.508 0.008 17 0 "[ . 1 . 2]" 4
341 1 54 SER H 1 56 GLY H 3.650 . 5.500 4.156 3.314 5.118 . 0 0 "[ . 1 . 2]" 4
342 1 52 LEU MD2 1 55 ASN H 4.150 . 6.500 5.030 4.815 5.459 . 0 0 "[ . 1 . 2]" 4
343 1 52 LEU HB2 1 55 ASN H 4.150 . 6.500 5.349 5.167 5.649 . 0 0 "[ . 1 . 2]" 4
344 1 55 ASN H 1 56 GLY HA2 3.650 . 5.500 5.270 4.963 5.507 0.007 18 0 "[ . 1 . 2]" 4
345 1 52 LEU HA 1 55 ASN H 3.150 . 4.500 3.488 3.260 3.891 . 0 0 "[ . 1 . 2]" 4
346 1 54 SER HB3 1 55 ASN H 3.650 . 5.500 4.370 4.075 4.539 . 0 0 "[ . 1 . 2]" 4
347 1 55 ASN H 1 57 ARG H 3.650 . 5.500 4.094 3.788 4.284 . 0 0 "[ . 1 . 2]" 4
348 1 53 LYS H 1 55 ASN H 3.650 . 5.500 3.879 3.640 4.218 . 0 0 "[ . 1 . 2]" 4
349 1 52 LEU H 1 55 ASN H 3.650 . 5.500 4.828 4.384 5.245 . 0 0 "[ . 1 . 2]" 4
350 1 56 GLY H 1 57 ARG HB2 3.650 . 5.500 4.981 4.452 5.531 0.031 17 0 "[ . 1 . 2]" 4
351 1 56 GLY H 1 57 ARG HB3 3.650 . 5.500 4.743 4.396 5.297 . 0 0 "[ . 1 . 2]" 4
352 1 55 ASN HB2 1 56 GLY H 3.650 . 5.500 4.459 4.085 4.634 . 0 0 "[ . 1 . 2]" 4
353 1 55 ASN HB3 1 56 GLY H 3.150 . 4.500 4.399 4.106 4.540 0.040 13 0 "[ . 1 . 2]" 4
354 1 52 LEU HA 1 56 GLY H 3.150 . 4.500 3.726 3.206 4.196 . 0 0 "[ . 1 . 2]" 4
355 1 56 GLY H 1 58 VAL H 3.650 . 4.500 4.183 3.695 4.509 0.009 2 0 "[ . 1 . 2]" 4
356 1 52 LEU H 1 56 GLY H 3.650 . 5.500 4.893 4.500 5.335 . 0 0 "[ . 1 . 2]" 4
357 1 57 ARG H 1 58 VAL MG1 3.650 . 5.500 4.068 3.814 4.379 . 0 0 "[ . 1 . 2]" 4
358 1 57 ARG H 1 57 ARG HG2 3.650 . 5.500 4.470 4.255 4.595 . 0 0 "[ . 1 . 2]" 4
359 1 54 SER HB3 1 57 ARG H 3.150 . 4.500 3.936 3.346 4.517 0.017 7 0 "[ . 1 . 2]" 4
360 1 46 HIS HB3 1 47 LEU H 3.150 . 4.500 3.719 3.568 3.833 . 0 0 "[ . 1 . 2]" 4
361 1 55 ASN HA 1 57 ARG H 3.650 . 5.500 4.316 4.072 4.845 . 0 0 "[ . 1 . 2]" 4
362 1 54 SER HA 1 57 ARG H 3.650 . 5.500 4.727 4.332 5.100 . 0 0 "[ . 1 . 2]" 4
363 1 58 VAL H 1 58 VAL MG2 3.650 . 5.500 3.827 3.801 3.894 . 0 0 "[ . 1 . 2]" 4
364 1 58 VAL H 1 58 VAL MG1 3.150 . 4.500 2.049 1.933 2.203 . 0 0 "[ . 1 . 2]" 4
365 1 57 ARG HG2 1 58 VAL H 3.150 . 4.500 3.554 3.047 4.451 . 0 0 "[ . 1 . 2]" 4
366 1 57 ARG HB3 1 58 VAL H 3.150 . 4.500 2.247 2.039 2.667 . 0 0 "[ . 1 . 2]" 4
367 1 58 VAL H 1 59 GLN HB2 4.150 . 6.500 5.727 4.575 6.372 . 0 0 "[ . 1 . 2]" 4
368 1 37 ASP HB2 1 58 VAL H 3.650 . 5.500 4.897 4.146 5.428 . 0 0 "[ . 1 . 2]" 4
369 1 57 ARG HD2 1 58 VAL H 3.650 . 5.500 4.965 4.022 5.531 0.031 3 0 "[ . 1 . 2]" 4
370 1 56 GLY HA2 1 58 VAL H 3.650 . 5.500 4.208 3.746 4.788 . 0 0 "[ . 1 . 2]" 4
371 1 54 SER HB3 1 58 VAL H 3.150 . 4.500 4.052 3.330 4.493 . 0 0 "[ . 1 . 2]" 4
372 1 54 SER HA 1 58 VAL H 4.150 . 6.500 5.748 5.297 6.275 . 0 0 "[ . 1 . 2]" 4
373 1 58 VAL H 1 59 GLN HA 3.650 . 5.500 5.054 4.825 5.258 . 0 0 "[ . 1 . 2]" 4
374 1 58 VAL H 1 59 GLN H 3.650 . 5.500 4.310 3.918 4.455 . 0 0 "[ . 1 . 2]" 4
375 1 58 VAL MG2 1 59 GLN H 3.150 . 4.500 2.849 2.543 3.414 . 0 0 "[ . 1 . 2]" 4
376 1 58 VAL MG1 1 59 GLN H 3.650 . 5.500 4.101 3.859 4.278 . 0 0 "[ . 1 . 2]" 4
377 1 58 VAL HB 1 59 GLN H 3.650 . 5.500 4.244 4.118 4.457 . 0 0 "[ . 1 . 2]" 4
378 1 59 GLN H 1 59 GLN HB2 3.150 . 4.500 2.636 2.359 3.050 . 0 0 "[ . 1 . 2]" 4
379 1 37 ASP HB2 1 59 GLN H 3.650 . 5.500 4.977 4.272 5.503 0.003 14 0 "[ . 1 . 2]" 4
380 1 35 GLY HA3 1 59 GLN H 3.650 . 5.500 4.518 4.100 4.761 . 0 0 "[ . 1 . 2]" 4
381 1 59 GLN H 1 59 GLN HE22 4.150 . 6.500 5.812 3.947 6.516 0.016 6 0 "[ . 1 . 2]" 4
382 1 59 GLN H 1 59 GLN HE21 3.650 . 5.500 4.687 3.716 5.539 0.039 8 0 "[ . 1 . 2]" 4
383 1 11 VAL MG1 1 60 PHE H 3.650 . 5.500 3.278 2.305 4.227 . 0 0 "[ . 1 . 2]" 4
384 1 47 LEU MD1 1 60 PHE H 3.650 . 5.500 4.011 3.663 4.514 . 0 0 "[ . 1 . 2]" 4
385 1 47 LEU MD2 1 60 PHE H 3.650 . 5.500 3.392 2.772 3.824 . 0 0 "[ . 1 . 2]" 4
386 1 47 LEU HG 1 60 PHE H 3.650 . 5.500 4.656 4.037 5.277 . 0 0 "[ . 1 . 2]" 4
387 1 11 VAL HB 1 60 PHE H 3.650 . 5.500 4.908 4.041 5.588 0.088 16 0 "[ . 1 . 2]" 4
388 1 59 GLN HB2 1 60 PHE H 3.150 . 4.500 3.526 3.159 3.971 . 0 0 "[ . 1 . 2]" 4
389 1 60 PHE H 1 60 PHE QD 3.150 . 4.500 4.164 4.127 4.214 . 0 0 "[ . 1 . 2]" 4
390 1 60 PHE H 1 61 LEU H 3.650 . 5.500 4.414 4.309 4.505 . 0 0 "[ . 1 . 2]" 4
391 1 61 LEU H 1 61 LEU MD2 3.650 . 5.500 4.271 4.207 4.347 . 0 0 "[ . 1 . 2]" 4
392 1 33 VAL HB 1 61 LEU H 3.650 . 5.500 5.120 4.975 5.318 . 0 0 "[ . 1 . 2]" 4
393 1 34 CYS HB3 1 61 LEU H 3.650 . 5.500 4.351 4.175 4.544 . 0 0 "[ . 1 . 2]" 4
394 1 60 PHE HB2 1 61 LEU H 3.150 . 4.500 4.368 4.239 4.431 . 0 0 "[ . 1 . 2]" 4
395 1 60 PHE HB3 1 61 LEU H 3.150 . 4.500 4.303 4.207 4.400 . 0 0 "[ . 1 . 2]" 4
396 1 36 SER HA 1 61 LEU H 3.650 . 5.500 4.538 4.349 4.721 . 0 0 "[ . 1 . 2]" 4
397 1 35 GLY HA2 1 61 LEU H 3.150 . 4.500 2.488 2.278 2.650 . 0 0 "[ . 1 . 2]" 4
398 1 61 LEU H 1 62 HIS HB3 4.150 . 6.500 5.560 5.461 5.684 . 0 0 "[ . 1 . 2]" 4
399 1 36 SER HB2 1 61 LEU H 4.150 . 6.500 6.020 5.515 6.295 . 0 0 "[ . 1 . 2]" 4
400 1 61 LEU H 1 62 HIS HA 3.650 . 5.500 4.596 4.494 4.752 . 0 0 "[ . 1 . 2]" 4
401 1 60 PHE QE 1 61 LEU H 3.650 . 5.500 4.992 4.353 5.223 . 0 0 "[ . 1 . 2]" 4
402 1 34 CYS H 1 61 LEU H 3.650 . 5.500 4.309 4.172 4.449 . 0 0 "[ . 1 . 2]" 4
403 1 61 LEU MD1 1 62 HIS H 3.650 . 5.500 4.426 4.350 4.493 . 0 0 "[ . 1 . 2]" 4
404 1 61 LEU MD2 1 62 HIS H 3.650 . 5.500 3.855 3.760 3.949 . 0 0 "[ . 1 . 2]" 4
405 1 33 VAL HB 1 62 HIS H 3.650 . 5.500 5.033 4.833 5.144 . 0 0 "[ . 1 . 2]" 4
406 1 60 PHE HB3 1 62 HIS H 4.150 . 6.500 5.634 5.389 5.819 . 0 0 "[ . 1 . 2]" 4
407 1 62 HIS H 1 62 HIS HB2 3.150 . 4.500 4.015 3.978 4.059 . 0 0 "[ . 1 . 2]" 4
408 1 62 HIS H 1 62 HIS HB3 3.150 . 4.500 3.540 3.467 3.607 . 0 0 "[ . 1 . 2]" 4
409 1 36 SER HA 1 62 HIS H 4.150 . 6.500 5.687 5.464 5.888 . 0 0 "[ . 1 . 2]" 4
410 1 35 GLY HA2 1 62 HIS H 3.650 . 5.500 4.345 4.159 4.475 . 0 0 "[ . 1 . 2]" 4
411 1 33 VAL HA 1 62 HIS H 3.650 . 5.500 5.364 5.241 5.477 . 0 0 "[ . 1 . 2]" 4
412 1 62 HIS H 1 63 ASP HA 3.650 . 5.500 4.571 4.284 4.832 . 0 0 "[ . 1 . 2]" 4
413 1 34 CYS HA 1 62 HIS H 3.650 . 5.500 4.897 4.837 4.953 . 0 0 "[ . 1 . 2]" 4
414 1 62 HIS H 1 62 HIS HD2 3.150 . 4.500 3.820 3.556 3.970 . 0 0 "[ . 1 . 2]" 4
415 1 60 PHE QE 1 62 HIS H 3.650 . 5.500 4.442 4.006 4.631 . 0 0 "[ . 1 . 2]" 4
416 1 62 HIS H 1 62 HIS HE1 4.150 . 6.500 5.598 5.421 5.726 . 0 0 "[ . 1 . 2]" 4
417 1 35 GLY H 1 62 HIS H 3.650 . 5.500 5.239 5.147 5.327 . 0 0 "[ . 1 . 2]" 4
418 1 62 HIS H 1 63 ASP H 3.150 . 4.500 4.261 4.209 4.311 . 0 0 "[ . 1 . 2]" 4
419 1 33 VAL MG1 1 63 ASP H 3.650 . 5.500 5.245 4.774 5.500 . 0 0 "[ . 1 . 2]" 4
420 1 33 VAL HB 1 63 ASP H 4.150 . 6.500 5.955 5.561 6.222 . 0 0 "[ . 1 . 2]" 4
421 1 34 CYS HB3 1 63 ASP H 3.650 . 5.500 5.245 5.092 5.370 . 0 0 "[ . 1 . 2]" 4
422 1 33 VAL HA 1 63 ASP H 3.650 . 5.500 5.325 4.988 5.528 0.028 9 0 "[ . 1 . 2]" 4
423 1 63 ASP H 1 64 GLY H 3.650 . 5.500 4.559 4.491 4.604 . 0 0 "[ . 1 . 2]" 4
424 1 33 VAL MG2 1 64 GLY H 3.650 . 5.500 5.010 4.792 5.129 . 0 0 "[ . 1 . 2]" 4
425 1 33 VAL MG1 1 64 GLY H 3.150 . 4.500 3.204 3.123 3.300 . 0 0 "[ . 1 . 2]" 4
426 1 32 PRO HB2 1 64 GLY H 3.650 . 5.500 3.768 3.293 4.166 . 0 0 "[ . 1 . 2]" 4
427 1 33 VAL HB 1 64 GLY H 3.150 . 4.500 4.508 4.396 4.538 0.038 13 0 "[ . 1 . 2]" 4
428 1 34 CYS HB3 1 64 GLY H 3.650 . 5.500 5.384 5.267 5.508 0.008 4 0 "[ . 1 . 2]" 4
429 1 32 PRO HD3 1 64 GLY H 4.150 . 6.500 6.296 6.047 6.547 0.047 9 0 "[ . 1 . 2]" 4
430 1 60 PHE QE 1 64 GLY H 3.650 . 5.500 4.712 4.227 5.233 . 0 0 "[ . 1 . 2]" 4
431 1 40 THR MG 1 65 SER H 3.650 . 5.500 3.975 3.838 4.175 . 0 0 "[ . 1 . 2]" 4
432 1 32 PRO HB2 1 65 SER H 3.150 . 4.500 2.736 2.476 3.013 . 0 0 "[ . 1 . 2]" 4
433 1 30 TYR QE 1 65 SER H 4.150 . 6.500 6.312 5.958 6.525 0.025 6 0 "[ . 1 . 2]" 4
434 1 62 HIS HE1 1 65 SER H 3.650 . 5.500 4.859 4.683 5.021 . 0 0 "[ . 1 . 2]" 4
435 1 40 THR MG 1 66 CYS H 3.150 . 4.500 2.935 2.784 3.089 . 0 0 "[ . 1 . 2]" 4
436 1 32 PRO HB2 1 66 CYS H 4.150 . 6.500 5.588 5.267 6.109 . 0 0 "[ . 1 . 2]" 4
437 1 32 PRO HB3 1 66 CYS H 4.150 . 6.500 6.185 5.826 6.515 0.015 15 0 "[ . 1 . 2]" 4
438 1 34 CYS HB3 1 66 CYS H 3.650 . 5.500 4.764 4.641 4.865 . 0 0 "[ . 1 . 2]" 4
439 1 40 THR HA 1 66 CYS H 3.150 . 4.500 3.641 3.348 3.806 . 0 0 "[ . 1 . 2]" 4
440 1 34 CYS HA 1 66 CYS H 3.650 . 5.500 4.220 4.000 4.491 . 0 0 "[ . 1 . 2]" 4
441 1 65 SER H 1 66 CYS H 3.650 . 5.500 4.600 4.556 4.663 . 0 0 "[ . 1 . 2]" 4
442 1 40 THR H 1 66 CYS H 3.650 . 5.500 4.469 4.231 4.626 . 0 0 "[ . 1 . 2]" 4
443 1 62 HIS HE1 1 66 CYS H 3.650 . 5.500 4.221 3.995 4.332 . 0 0 "[ . 1 . 2]" 4
444 1 31 LEU MD1 1 43 ASN HD21 3.650 . 5.500 4.310 3.004 5.104 . 0 0 "[ . 1 . 2]" 4
445 1 29 THR MG 1 43 ASN HD21 3.650 . 5.500 4.927 4.670 5.224 . 0 0 "[ . 1 . 2]" 4
446 1 31 LEU HB2 1 43 ASN HD21 3.650 . 5.500 4.824 4.470 5.362 . 0 0 "[ . 1 . 2]" 4
447 1 27 PRO HB2 1 43 ASN HD21 3.150 . 4.500 3.938 3.256 4.305 . 0 0 "[ . 1 . 2]" 4
448 1 27 PRO HG2 1 43 ASN HD21 3.150 . 4.500 2.668 2.455 2.827 . 0 0 "[ . 1 . 2]" 4
449 1 27 PRO HB3 1 43 ASN HD21 3.650 . 5.500 5.276 4.835 5.515 0.015 1 0 "[ . 1 . 2]" 4
450 1 43 ASN HD21 1 45 CYS HB3 3.650 . 5.500 4.526 4.219 4.900 . 0 0 "[ . 1 . 2]" 4
451 1 27 PRO HD3 1 43 ASN HD21 3.650 . 5.500 5.275 4.983 5.456 . 0 0 "[ . 1 . 2]" 4
452 1 31 LEU MD1 1 43 ASN HD22 4.150 . 6.500 5.494 4.322 6.319 . 0 0 "[ . 1 . 2]" 4
453 1 27 PRO HB2 1 43 ASN HD22 3.650 . 5.500 4.373 3.748 4.850 . 0 0 "[ . 1 . 2]" 4
454 1 27 PRO HG2 1 43 ASN HD22 3.150 . 4.500 2.864 2.612 3.257 . 0 0 "[ . 1 . 2]" 4
455 1 26 CYS HB2 1 43 ASN HD22 3.650 . 5.500 3.719 3.347 4.062 . 0 0 "[ . 1 . 2]" 4
456 1 26 CYS HB3 1 43 ASN HD22 3.650 . 5.500 2.366 2.063 2.662 . 0 0 "[ . 1 . 2]" 4
457 1 43 ASN HD22 1 45 CYS HB3 3.650 . 5.500 3.375 3.118 3.701 . 0 0 "[ . 1 . 2]" 4
458 1 27 PRO HD2 1 43 ASN HD22 3.650 . 5.500 2.981 2.820 3.154 . 0 0 "[ . 1 . 2]" 4
459 1 27 PRO HD2 1 43 ASN HD21 3.650 . 5.500 3.910 3.605 4.205 . 0 0 "[ . 1 . 2]" 4
460 1 28 ILE HA 1 43 ASN HD21 3.650 . 5.500 4.690 4.241 5.076 . 0 0 "[ . 1 . 2]" 4
461 1 28 ILE HA 1 43 ASN HD22 3.650 . 5.500 4.593 4.159 4.920 . 0 0 "[ . 1 . 2]" 4
462 1 27 PRO HA 1 43 ASN HD22 3.650 . 5.500 5.043 4.747 5.289 . 0 0 "[ . 1 . 2]" 4
463 1 26 CYS HA 1 43 ASN HD22 3.650 . 5.500 4.367 4.135 4.575 . 0 0 "[ . 1 . 2]" 4
464 1 43 ASN HD21 1 45 CYS H 3.650 . 5.500 4.846 4.719 5.034 . 0 0 "[ . 1 . 2]" 4
465 1 43 ASN HD22 1 45 CYS H 3.650 . 5.500 4.537 4.347 4.698 . 0 0 "[ . 1 . 2]" 4
466 1 55 ASN HB3 1 55 ASN HD22 3.650 . 5.500 3.707 3.461 4.094 . 0 0 "[ . 1 . 2]" 4
467 1 55 ASN HB3 1 55 ASN HD21 3.150 . 4.500 2.730 2.189 3.573 . 0 0 "[ . 1 . 2]" 4
468 1 55 ASN HA 1 55 ASN HD21 3.650 . 5.500 3.770 1.934 4.476 . 0 0 "[ . 1 . 2]" 4
469 1 55 ASN HA 1 55 ASN HD22 3.650 . 5.500 4.338 3.492 5.195 . 0 0 "[ . 1 . 2]" 4
470 1 17 LYS HB3 1 18 LYS H 3.650 . 5.500 3.864 3.025 4.077 . 0 0 "[ . 1 . 2]" 4
471 1 17 LYS HA 1 18 LYS H 3.650 . 4.500 3.340 3.287 3.448 . 0 0 "[ . 1 . 2]" 4
472 1 59 GLN HA 1 59 GLN HE21 3.650 . 5.500 3.612 1.809 5.161 . 0 0 "[ . 1 . 2]" 4
473 1 59 GLN HA 1 59 GLN HE22 4.150 . 6.500 4.769 3.143 6.120 . 0 0 "[ . 1 . 2]" 4
474 1 56 GLY H 1 59 GLN HE21 3.650 . 5.500 5.123 3.941 5.531 0.031 16 0 "[ . 1 . 2]" 4
475 1 28 ILE MD 1 29 THR H 3.650 . 5.500 4.334 2.618 5.019 . 0 0 "[ . 1 . 2]" 4
476 1 12 ASP HB2 1 13 CYS H 3.650 . 5.500 4.365 4.113 4.514 . 0 0 "[ . 1 . 2]" 4
477 1 13 CYS H 1 14 SER QB 3.650 . 5.500 4.311 3.795 4.572 . 0 0 "[ . 1 . 2]" 4
478 1 9 LYS QB 1 10 LYS H 3.150 . 4.500 3.388 2.652 3.898 . 0 0 "[ . 1 . 2]" 4
479 1 12 ASP H 1 44 GLU HG3 4.150 . 6.500 5.705 2.774 6.553 0.053 10 0 "[ . 1 . 2]" 4
480 1 21 VAL H 1 52 LEU MD1 3.650 . 5.500 4.638 4.041 5.191 . 0 0 "[ . 1 . 2]" 4
481 1 2 GLU HA 1 3 ALA H 2.650 . 3.500 2.544 2.071 3.511 0.011 5 0 "[ . 1 . 2]" 4
482 1 3 ALA HA 1 4 ALA H 2.650 . 3.500 2.775 2.103 3.526 0.026 18 0 "[ . 1 . 2]" 4
483 1 4 ALA HA 1 5 SER H 2.650 . 3.500 2.893 2.087 3.519 0.019 15 0 "[ . 1 . 2]" 4
484 1 6 LEU H 1 6 LEU QB 2.650 . 3.500 2.656 2.258 3.447 . 0 0 "[ . 1 . 2]" 4
485 1 49 THR H 1 49 THR HA 2.300 . 2.800 2.787 2.768 2.812 0.012 3 0 "[ . 1 . 2]" 4
486 1 7 SER H 1 7 SER HA 2.650 . 3.500 2.891 2.800 2.931 . 0 0 "[ . 1 . 2]" 4
487 1 49 THR H 1 50 GLU H 3.150 . 4.500 2.814 2.733 2.898 . 0 0 "[ . 1 . 2]" 4
488 1 48 CYS H 1 49 THR H 3.150 . 4.500 2.786 2.649 2.864 . 0 0 "[ . 1 . 2]" 4
489 1 21 VAL H 1 21 VAL HB 2.650 . 3.500 2.776 2.495 3.560 0.060 3 0 "[ . 1 . 2]" 4
490 1 9 LYS H 1 9 LYS QB 3.150 . 3.500 2.437 2.142 3.121 . 0 0 "[ . 1 . 2]" 4
491 1 8 PRO HA 1 9 LYS H 2.300 . 2.800 2.422 2.151 2.812 0.012 9 0 "[ . 1 . 2]" 4
492 1 9 LYS HA 1 10 LYS H 2.300 . 2.800 2.133 1.931 2.399 . 0 0 "[ . 1 . 2]" 4
493 1 11 VAL H 1 11 VAL HB 2.650 . 3.500 2.695 2.296 3.561 0.061 16 0 "[ . 1 . 2]" 4
494 1 11 VAL H 1 11 VAL HA 2.650 . 3.500 2.857 2.704 2.928 . 0 0 "[ . 1 . 2]" 4
495 1 12 ASP H 1 12 ASP HB3 2.650 . 3.500 2.668 2.506 2.823 . 0 0 "[ . 1 . 2]" 4
496 1 12 ASP H 1 12 ASP HB2 2.650 . 2.800 2.695 2.504 2.808 0.008 2 0 "[ . 1 . 2]" 4
497 1 13 CYS H 1 13 CYS HB3 3.150 . 4.500 2.459 2.341 2.580 . 0 0 "[ . 1 . 2]" 4
498 1 13 CYS H 1 13 CYS HB2 2.650 . 3.500 2.670 2.504 2.864 . 0 0 "[ . 1 . 2]" 4
499 1 12 ASP HA 1 13 CYS H 2.650 . 3.500 2.034 1.951 2.119 . 0 0 "[ . 1 . 2]" 4
500 1 13 CYS H 1 14 SER H 2.650 . 3.500 2.159 1.911 2.317 . 0 0 "[ . 1 . 2]" 4
501 1 14 SER H 1 14 SER HA 2.300 . 2.800 2.785 2.724 2.826 0.026 12 0 "[ . 1 . 2]" 4
502 1 15 ILE H 1 15 ILE HG13 3.150 . 4.500 3.115 3.012 3.203 . 0 0 "[ . 1 . 2]" 4
503 1 15 ILE H 1 15 ILE HA 2.650 . 3.500 2.827 2.794 2.856 . 0 0 "[ . 1 . 2]" 4
504 1 15 ILE H 1 16 TYR H 3.150 . 3.500 2.661 2.532 2.758 . 0 0 "[ . 1 . 2]" 4
505 1 15 ILE HG13 1 16 TYR H 2.650 . 3.500 2.736 2.459 2.976 . 0 0 "[ . 1 . 2]" 4
506 1 16 TYR H 1 16 TYR HB2 2.650 . 3.500 2.509 2.422 2.607 . 0 0 "[ . 1 . 2]" 4
507 1 16 TYR H 1 16 TYR HB3 3.150 . 4.500 3.672 3.625 3.748 . 0 0 "[ . 1 . 2]" 4
508 1 15 ILE HA 1 16 TYR H 3.150 . 4.500 3.427 3.379 3.485 . 0 0 "[ . 1 . 2]" 4
509 1 16 TYR H 1 16 TYR QD 3.150 . 4.500 2.883 2.507 3.188 . 0 0 "[ . 1 . 2]" 4
510 1 16 TYR H 1 17 LYS H 2.650 . 3.500 2.180 1.907 2.307 . 0 0 "[ . 1 . 2]" 4
511 1 17 LYS H 1 17 LYS HB2 2.650 . 3.500 2.456 2.292 2.597 . 0 0 "[ . 1 . 2]" 4
512 1 19 TYR H 1 19 TYR HB3 3.150 . 4.500 3.685 3.612 3.757 . 0 0 "[ . 1 . 2]" 4
513 1 19 TYR H 1 19 TYR HB2 3.150 . 4.500 2.552 2.428 2.648 . 0 0 "[ . 1 . 2]" 4
514 1 18 LYS HA 1 19 TYR H 3.150 . 4.500 3.341 3.195 3.508 . 0 0 "[ . 1 . 2]" 4
515 1 20 PRO HB2 1 21 VAL H 3.150 . 4.500 3.273 2.842 3.536 . 0 0 "[ . 1 . 2]" 4
516 1 20 PRO HA 1 21 VAL H 2.300 . 2.800 2.236 2.138 2.386 . 0 0 "[ . 1 . 2]" 4
517 1 22 VAL H 1 22 VAL MG2 3.150 . 4.500 2.950 2.025 3.851 . 0 0 "[ . 1 . 2]" 4
518 1 22 VAL H 1 22 VAL MG1 3.150 . 4.500 2.283 2.017 2.657 . 0 0 "[ . 1 . 2]" 4
519 1 21 VAL HB 1 22 VAL H 3.150 . 4.500 3.153 2.623 4.173 . 0 0 "[ . 1 . 2]" 4
520 1 22 VAL H 1 22 VAL HB 3.150 . 4.500 3.199 2.567 3.774 . 0 0 "[ . 1 . 2]" 4
521 1 22 VAL H 1 23 ALA H 3.150 . 3.500 2.463 2.220 2.630 . 0 0 "[ . 1 . 2]" 4
522 1 23 ALA H 1 23 ALA MB 3.150 . 4.500 2.564 2.519 2.595 . 0 0 "[ . 1 . 2]" 4
523 1 20 PRO HB2 1 23 ALA H 3.150 . 4.500 2.774 2.471 3.046 . 0 0 "[ . 1 . 2]" 4
524 1 22 VAL HA 1 23 ALA H 3.150 . 4.500 3.465 3.337 3.512 . 0 0 "[ . 1 . 2]" 4
525 1 23 ALA H 1 23 ALA HA 2.650 . 3.500 2.917 2.911 2.925 . 0 0 "[ . 1 . 2]" 4
526 1 23 ALA H 1 24 ILE H 3.150 . 4.500 3.782 3.700 3.889 . 0 0 "[ . 1 . 2]" 4
527 1 24 ILE H 1 24 ILE HG13 3.150 . 4.500 2.890 2.804 2.994 . 0 0 "[ . 1 . 2]" 4
528 1 24 ILE H 1 24 ILE HB 2.650 . 3.500 2.665 2.602 2.770 . 0 0 "[ . 1 . 2]" 4
529 1 24 ILE H 1 24 ILE HG12 3.150 . 4.500 3.939 3.856 4.046 . 0 0 "[ . 1 . 2]" 4
530 1 24 ILE H 1 24 ILE HA 2.650 . 3.500 2.928 2.910 2.942 . 0 0 "[ . 1 . 2]" 4
531 1 23 ALA HA 1 24 ILE H 2.650 . 3.500 2.189 2.136 2.246 . 0 0 "[ . 1 . 2]" 4
532 1 25 PRO QB 1 26 CYS H 3.150 . 4.500 3.200 3.115 3.249 . 0 0 "[ . 1 . 2]" 4
533 1 26 CYS H 1 26 CYS HB2 2.650 . 3.500 2.525 2.461 2.702 . 0 0 "[ . 1 . 2]" 4
534 1 26 CYS H 1 26 CYS HB3 3.150 . 4.500 3.702 3.652 3.800 . 0 0 "[ . 1 . 2]" 4
535 1 25 PRO HA 1 26 CYS H 2.300 . 2.800 2.153 2.119 2.199 . 0 0 "[ . 1 . 2]" 4
536 1 28 ILE H 1 28 ILE MG 3.150 . 4.500 2.526 2.367 2.758 . 0 0 "[ . 1 . 2]" 4
537 1 28 ILE H 1 28 ILE HG13 2.650 . 3.500 2.907 1.898 3.113 . 0 0 "[ . 1 . 2]" 4
538 1 28 ILE H 1 28 ILE HG12 2.650 . 3.500 2.184 1.923 3.516 0.016 8 0 "[ . 1 . 2]" 4
539 1 27 PRO HB2 1 28 ILE H 2.650 . 3.500 2.893 2.727 3.164 . 0 0 "[ . 1 . 2]" 4
540 1 27 PRO HB3 1 28 ILE H 2.650 . 3.500 3.519 3.505 3.535 0.035 10 0 "[ . 1 . 2]" 4
541 1 28 ILE H 1 28 ILE HA 2.650 . 3.500 2.891 2.864 2.913 . 0 0 "[ . 1 . 2]" 4
542 1 27 PRO HA 1 28 ILE H 2.300 . 2.800 2.304 2.209 2.382 . 0 0 "[ . 1 . 2]" 4
543 1 28 ILE H 1 29 THR H 2.650 . 3.500 2.388 2.247 2.655 . 0 0 "[ . 1 . 2]" 4
544 1 27 PRO HB2 1 29 THR H 2.650 . 3.500 2.259 1.980 2.727 . 0 0 "[ . 1 . 2]" 4
545 1 27 PRO HB3 1 29 THR H 3.150 . 4.500 3.811 3.628 4.023 . 0 0 "[ . 1 . 2]" 4
546 1 28 ILE HA 1 29 THR H 2.650 . 3.500 3.281 3.026 3.424 . 0 0 "[ . 1 . 2]" 4
547 1 27 PRO HA 1 29 THR H 3.150 . 4.500 3.848 3.669 4.027 . 0 0 "[ . 1 . 2]" 4
548 1 30 TYR H 1 30 TYR HB2 2.650 . 3.500 2.702 2.564 2.875 . 0 0 "[ . 1 . 2]" 4
549 1 30 TYR H 1 30 TYR HB3 2.650 . 3.500 2.489 2.377 2.641 . 0 0 "[ . 1 . 2]" 4
550 1 31 LEU H 1 31 LEU HB2 2.650 . 3.500 2.668 2.568 2.774 . 0 0 "[ . 1 . 2]" 4
551 1 31 LEU H 1 31 LEU HB3 3.150 . 4.500 3.769 3.701 3.833 . 0 0 "[ . 1 . 2]" 4
552 1 30 TYR HB2 1 31 LEU H 3.150 . 4.500 4.359 4.249 4.445 . 0 0 "[ . 1 . 2]" 4
553 1 31 LEU H 1 43 ASN HB2 2.650 . 3.500 3.514 3.412 3.568 0.068 11 0 "[ . 1 . 2]" 4
554 1 31 LEU H 1 31 LEU HA 2.650 . 3.500 2.923 2.905 2.932 . 0 0 "[ . 1 . 2]" 4
555 1 33 VAL H 1 33 VAL MG2 3.150 . 4.500 2.275 2.226 2.305 . 0 0 "[ . 1 . 2]" 4
556 1 33 VAL H 1 33 VAL MG1 3.150 . 4.500 3.032 2.947 3.096 . 0 0 "[ . 1 . 2]" 4
557 1 32 PRO HB2 1 33 VAL H 3.150 . 4.500 3.730 3.602 3.945 . 0 0 "[ . 1 . 2]" 4
558 1 33 VAL H 1 33 VAL HA 2.650 . 3.500 2.917 2.908 2.940 . 0 0 "[ . 1 . 2]" 4
559 1 33 VAL H 1 41 TYR H 3.150 . 4.500 2.935 2.816 3.055 . 0 0 "[ . 1 . 2]" 4
560 1 33 VAL HB 1 34 CYS H 2.650 . 3.500 2.654 2.493 2.761 . 0 0 "[ . 1 . 2]" 4
561 1 34 CYS H 1 34 CYS HB3 2.650 . 3.500 2.568 2.491 2.614 . 0 0 "[ . 1 . 2]" 4
562 1 33 VAL HA 1 34 CYS H 2.300 . 2.800 2.263 2.200 2.308 . 0 0 "[ . 1 . 2]" 4
563 1 34 CYS H 1 63 ASP HA 3.150 . 4.500 3.139 2.472 3.568 . 0 0 "[ . 1 . 2]" 4
564 1 34 CYS H 1 62 HIS H 3.150 . 4.500 3.352 3.268 3.423 . 0 0 "[ . 1 . 2]" 4
565 1 35 GLY H 1 35 GLY HA2 2.650 . 3.500 2.908 2.884 2.940 . 0 0 "[ . 1 . 2]" 4
566 1 35 GLY H 1 35 GLY HA3 2.650 . 3.500 2.332 2.296 2.366 . 0 0 "[ . 1 . 2]" 4
567 1 34 CYS HA 1 35 GLY H 2.300 . 2.800 2.112 2.089 2.137 . 0 0 "[ . 1 . 2]" 4
568 1 35 GLY H 1 41 TYR QD 3.150 . 4.500 2.852 2.642 3.060 . 0 0 "[ . 1 . 2]" 4
569 1 35 GLY H 1 39 ILE H 3.150 . 4.500 3.121 2.813 3.356 . 0 0 "[ . 1 . 2]" 4
570 1 36 SER H 1 61 LEU HB3 3.150 . 4.500 4.253 4.147 4.411 . 0 0 "[ . 1 . 2]" 4
571 1 36 SER H 1 36 SER HB2 2.650 . 3.500 2.976 2.597 3.530 0.030 11 0 "[ . 1 . 2]" 4
572 1 36 SER H 1 36 SER HA 2.650 . 3.500 2.779 2.721 2.827 . 0 0 "[ . 1 . 2]" 4
573 1 35 GLY HA2 1 36 SER H 2.650 . 3.500 2.337 2.281 2.407 . 0 0 "[ . 1 . 2]" 4
574 1 35 GLY HA3 1 36 SER H 2.650 . 3.500 2.755 2.688 2.815 . 0 0 "[ . 1 . 2]" 4
575 1 36 SER H 1 59 GLN H 2.650 . 3.500 2.505 2.270 2.798 . 0 0 "[ . 1 . 2]" 4
576 1 36 SER H 1 37 ASP H 2.650 . 3.500 2.719 2.527 2.861 . 0 0 "[ . 1 . 2]" 4
577 1 37 ASP H 1 37 ASP HB3 2.650 . 3.500 2.548 2.427 2.650 . 0 0 "[ . 1 . 2]" 4
578 1 37 ASP H 1 37 ASP HB2 2.650 . 3.500 2.584 2.448 2.666 . 0 0 "[ . 1 . 2]" 4
579 1 36 SER HA 1 37 ASP H 3.150 . 4.500 3.377 3.287 3.457 . 0 0 "[ . 1 . 2]" 4
580 1 37 ASP H 1 38 TYR HA 3.650 . 5.500 4.526 4.347 4.661 . 0 0 "[ . 1 . 2]" 4
581 1 35 GLY HA2 1 37 ASP H 3.150 . 4.500 3.984 3.873 4.098 . 0 0 "[ . 1 . 2]" 4
582 1 37 ASP H 1 37 ASP HA 2.650 . 3.500 2.908 2.880 2.916 . 0 0 "[ . 1 . 2]" 4
583 1 37 ASP H 1 39 ILE H 3.150 . 4.500 3.550 3.400 3.693 . 0 0 "[ . 1 . 2]" 4
584 1 37 ASP H 1 38 TYR H 2.650 . 3.500 2.408 2.260 2.528 . 0 0 "[ . 1 . 2]" 4
585 1 37 ASP HB3 1 38 TYR H 3.150 . 4.500 3.603 3.399 3.753 . 0 0 "[ . 1 . 2]" 4
586 1 38 TYR H 1 38 TYR HB2 3.150 . 4.500 3.531 3.028 3.691 . 0 0 "[ . 1 . 2]" 4
587 1 36 SER HA 1 38 TYR H 3.150 . 4.500 3.436 3.231 3.643 . 0 0 "[ . 1 . 2]" 4
588 1 38 TYR H 1 39 ILE H 2.650 . 3.500 2.533 2.406 2.640 . 0 0 "[ . 1 . 2]" 4
589 1 39 ILE H 1 39 ILE HG12 2.650 . 3.500 2.688 2.497 2.920 . 0 0 "[ . 1 . 2]" 4
590 1 39 ILE H 1 39 ILE HG13 3.150 . 4.500 4.038 3.879 4.229 . 0 0 "[ . 1 . 2]" 4
591 1 39 ILE H 1 39 ILE HB 2.300 . 2.800 2.580 2.531 2.657 . 0 0 "[ . 1 . 2]" 4
592 1 39 ILE MG 1 40 THR H 3.150 . 4.500 2.711 2.597 2.873 . 0 0 "[ . 1 . 2]" 4
593 1 40 THR MG 1 41 TYR H 3.150 . 4.500 2.672 2.448 2.972 . 0 0 "[ . 1 . 2]" 4
594 1 41 TYR H 1 41 TYR HB2 2.650 . 3.500 2.490 2.395 2.579 . 0 0 "[ . 1 . 2]" 4
595 1 41 TYR H 1 41 TYR HB3 3.150 . 4.500 3.688 3.623 3.758 . 0 0 "[ . 1 . 2]" 4
596 1 41 TYR H 1 41 TYR HA 2.650 . 3.500 2.922 2.902 2.938 . 0 0 "[ . 1 . 2]" 4
597 1 40 THR HA 1 41 TYR H 2.300 . 2.800 2.123 2.049 2.172 . 0 0 "[ . 1 . 2]" 4
598 1 34 CYS HA 1 41 TYR H 3.150 . 4.500 3.259 3.137 3.388 . 0 0 "[ . 1 . 2]" 4
599 1 41 TYR H 1 41 TYR QD 3.150 . 4.500 2.739 2.481 2.968 . 0 0 "[ . 1 . 2]" 4
600 1 41 TYR HB3 1 42 GLY H 3.150 . 4.500 2.678 2.563 2.894 . 0 0 "[ . 1 . 2]" 4
601 1 42 GLY H 1 42 GLY HA2 2.650 . 3.500 2.820 2.784 2.837 . 0 0 "[ . 1 . 2]" 4
602 1 42 GLY H 1 42 GLY HA3 2.650 . 3.500 2.287 2.266 2.307 . 0 0 "[ . 1 . 2]" 4
603 1 41 TYR HA 1 42 GLY H 2.300 . 2.800 2.254 2.180 2.319 . 0 0 "[ . 1 . 2]" 4
604 1 42 GLY H 1 43 ASN H 3.150 . 3.500 2.632 2.532 2.737 . 0 0 "[ . 1 . 2]" 4
605 1 41 TYR HB2 1 43 ASN H 3.150 . 4.500 3.452 3.261 3.661 . 0 0 "[ . 1 . 2]" 4
606 1 41 TYR HB3 1 43 ASN H 2.650 . 3.500 2.675 2.583 2.958 . 0 0 "[ . 1 . 2]" 4
607 1 43 ASN H 1 46 HIS HB2 2.650 . 3.500 2.719 2.370 2.895 . 0 0 "[ . 1 . 2]" 4
608 1 42 GLY HA3 1 43 ASN H 3.150 . 4.500 3.037 2.916 3.145 . 0 0 "[ . 1 . 2]" 4
609 1 43 ASN H 1 43 ASN HA 2.650 . 3.500 2.727 2.661 2.756 . 0 0 "[ . 1 . 2]" 4
610 1 43 ASN H 1 46 HIS HD2 2.650 . 3.500 2.867 2.441 3.388 . 0 0 "[ . 1 . 2]" 4
611 1 44 GLU H 1 44 GLU HB2 3.150 . 4.500 3.380 2.696 3.696 . 0 0 "[ . 1 . 2]" 4
612 1 44 GLU H 1 44 GLU HB3 3.150 . 4.500 2.969 2.555 3.587 . 0 0 "[ . 1 . 2]" 4
613 1 43 ASN HB3 1 44 GLU H 2.650 . 3.500 3.495 3.395 3.522 0.022 11 0 "[ . 1 . 2]" 4
614 1 43 ASN HB2 1 44 GLU H 2.650 . 3.500 2.045 1.903 2.106 . 0 0 "[ . 1 . 2]" 4
615 1 44 GLU H 1 44 GLU HA 2.650 . 3.500 2.788 2.692 2.853 . 0 0 "[ . 1 . 2]" 4
616 1 43 ASN HA 1 44 GLU H 2.650 . 3.500 2.515 2.391 2.690 . 0 0 "[ . 1 . 2]" 4
617 1 44 GLU H 1 45 CYS H 3.150 . 4.500 2.676 2.448 2.944 . 0 0 "[ . 1 . 2]" 4
618 1 45 CYS H 1 45 CYS HA 2.650 . 3.500 2.781 2.745 2.820 . 0 0 "[ . 1 . 2]" 4
619 1 45 CYS H 1 46 HIS H 2.650 . 3.500 2.789 2.637 2.910 . 0 0 "[ . 1 . 2]" 4
620 1 46 HIS H 1 46 HIS HB2 2.650 . 3.500 2.526 2.440 2.601 . 0 0 "[ . 1 . 2]" 4
621 1 46 HIS H 1 46 HIS HB3 3.150 . 4.500 3.668 3.642 3.694 . 0 0 "[ . 1 . 2]" 4
622 1 46 HIS H 1 46 HIS HA 2.650 . 3.500 2.846 2.824 2.864 . 0 0 "[ . 1 . 2]" 4
623 1 46 HIS H 1 47 LEU H 2.650 . 3.500 2.569 2.465 2.644 . 0 0 "[ . 1 . 2]" 4
624 1 47 LEU H 1 47 LEU HB3 2.650 . 3.500 2.385 2.342 2.433 . 0 0 "[ . 1 . 2]" 4
625 1 47 LEU H 1 47 LEU HB2 2.650 . 3.500 2.584 2.525 2.639 . 0 0 "[ . 1 . 2]" 4
626 1 41 TYR HB2 1 47 LEU H 3.150 . 4.500 3.917 3.760 4.192 . 0 0 "[ . 1 . 2]" 4
627 1 47 LEU H 1 47 LEU HA 2.650 . 3.500 2.814 2.788 2.842 . 0 0 "[ . 1 . 2]" 4
628 1 46 HIS HB2 1 47 LEU H 2.650 . 3.500 2.790 2.632 2.976 . 0 0 "[ . 1 . 2]" 4
629 1 44 GLU HA 1 47 LEU H 3.150 . 4.500 3.284 2.918 3.989 . 0 0 "[ . 1 . 2]" 4
630 1 46 HIS HA 1 47 LEU H 3.150 . 4.500 3.479 3.445 3.501 . 0 0 "[ . 1 . 2]" 4
631 1 47 LEU H 1 48 CYS H 2.650 . 3.500 2.680 2.597 2.801 . 0 0 "[ . 1 . 2]" 4
632 1 47 LEU HB3 1 48 CYS H 2.650 . 3.500 2.453 2.356 2.587 . 0 0 "[ . 1 . 2]" 4
633 1 47 LEU HB2 1 48 CYS H 3.150 . 4.500 3.827 3.754 3.913 . 0 0 "[ . 1 . 2]" 4
634 1 48 CYS H 1 48 CYS HB3 2.650 . 3.500 2.445 2.370 2.520 . 0 0 "[ . 1 . 2]" 4
635 1 48 CYS H 1 48 CYS HB2 2.650 . 3.500 2.589 2.497 2.702 . 0 0 "[ . 1 . 2]" 4
636 1 47 LEU HA 1 48 CYS H 3.150 . 4.500 3.543 3.518 3.569 . 0 0 "[ . 1 . 2]" 4
637 1 48 CYS H 1 48 CYS HA 2.650 . 3.500 2.793 2.775 2.827 . 0 0 "[ . 1 . 2]" 4
638 1 50 GLU H 1 50 GLU HB2 2.650 . 3.500 2.325 2.131 2.483 . 0 0 "[ . 1 . 2]" 4
639 1 50 GLU H 1 50 GLU HB3 2.650 . 3.500 3.010 2.474 3.552 0.052 2 0 "[ . 1 . 2]" 4
640 1 49 THR HA 1 50 GLU H 3.150 . 4.500 3.570 3.533 3.592 . 0 0 "[ . 1 . 2]" 4
641 1 50 GLU H 1 50 GLU HA 2.650 . 3.500 2.818 2.794 2.841 . 0 0 "[ . 1 . 2]" 4
642 1 49 THR HB 1 50 GLU H 2.650 . 3.500 2.574 2.305 3.512 0.012 19 0 "[ . 1 . 2]" 4
643 1 50 GLU H 1 51 SER H 2.650 . 3.500 2.543 2.475 2.608 . 0 0 "[ . 1 . 2]" 4
644 1 51 SER H 1 52 LEU H 3.150 . 4.500 2.724 2.613 2.826 . 0 0 "[ . 1 . 2]" 4
645 1 48 CYS HA 1 51 SER H 2.650 . 3.500 3.320 3.009 3.502 0.002 6 0 "[ . 1 . 2]" 4
646 1 51 SER H 1 51 SER HB3 2.650 . 3.500 2.707 2.598 3.506 0.006 2 0 "[ . 1 . 2]" 4
647 1 51 SER H 1 51 SER HA 2.650 . 3.500 2.790 2.754 2.803 . 0 0 "[ . 1 . 2]" 4
648 1 51 SER H 1 51 SER HB2 2.650 . 3.500 2.366 2.100 2.434 . 0 0 "[ . 1 . 2]" 4
649 1 50 GLU HB3 1 51 SER H 3.150 . 4.500 3.073 2.500 3.779 . 0 0 "[ . 1 . 2]" 4
650 1 50 GLU HB2 1 51 SER H 3.150 . 4.500 3.349 2.679 3.883 . 0 0 "[ . 1 . 2]" 4
651 1 52 LEU H 1 52 LEU HB2 2.650 . 3.500 2.483 2.380 2.537 . 0 0 "[ . 1 . 2]" 4
652 1 51 SER HB2 1 52 LEU H 3.150 . 4.500 3.682 2.611 3.861 . 0 0 "[ . 1 . 2]" 4
653 1 52 LEU H 1 53 LYS H 2.650 . 3.500 2.560 2.469 2.734 . 0 0 "[ . 1 . 2]" 4
654 1 53 LYS H 1 53 LYS HG3 3.150 . 4.500 3.895 2.345 4.501 0.001 10 0 "[ . 1 . 2]" 4
655 1 53 LYS H 1 53 LYS HA . . 2.800 2.793 2.760 2.836 0.036 14 0 "[ . 1 . 2]" 4
656 1 52 LEU HA 1 53 LYS H 3.150 . 4.500 3.494 3.453 3.524 . 0 0 "[ . 1 . 2]" 4
657 1 53 LYS QB 1 54 SER H 3.150 . 4.500 2.506 2.158 2.930 . 0 0 "[ . 1 . 2]" 4
658 1 54 SER H 1 54 SER HB3 3.150 . 4.500 3.340 2.756 3.656 . 0 0 "[ . 1 . 2]" 4
659 1 54 SER H 1 54 SER HA 2.650 . 3.500 2.899 2.864 2.929 . 0 0 "[ . 1 . 2]" 4
660 1 55 ASN H 1 55 ASN HB2 3.150 . 4.500 3.278 2.943 3.968 . 0 0 "[ . 1 . 2]" 4
661 1 55 ASN H 1 55 ASN HB3 3.150 . 4.500 3.761 2.981 4.145 . 0 0 "[ . 1 . 2]" 4
662 1 55 ASN H 1 56 GLY H 2.650 . 3.500 2.975 2.656 3.285 . 0 0 "[ . 1 . 2]" 4
663 1 56 GLY H 1 56 GLY HA2 2.650 . 2.800 2.331 2.268 2.421 . 0 0 "[ . 1 . 2]" 4
664 1 56 GLY H 1 56 GLY HA3 2.650 . 3.500 2.892 2.838 2.948 . 0 0 "[ . 1 . 2]" 4
665 1 55 ASN HA 1 56 GLY H 2.650 . 3.500 2.526 2.196 2.944 . 0 0 "[ . 1 . 2]" 4
666 1 56 GLY H 1 57 ARG H 3.150 . 3.500 2.584 2.235 2.952 . 0 0 "[ . 1 . 2]" 4
667 1 57 ARG H 1 57 ARG HB3 2.650 . 3.500 2.529 2.305 2.804 . 0 0 "[ . 1 . 2]" 4
668 1 56 GLY HA2 1 57 ARG H 3.150 . 4.500 3.201 2.932 3.427 . 0 0 "[ . 1 . 2]" 4
669 1 57 ARG H 1 57 ARG HA 2.650 . 3.500 2.827 2.777 2.884 . 0 0 "[ . 1 . 2]" 4
670 1 57 ARG H 1 58 VAL H 2.650 . 3.500 2.721 2.500 2.956 . 0 0 "[ . 1 . 2]" 4
671 1 58 VAL H 1 58 VAL HB 2.650 . 3.500 2.951 2.707 3.165 . 0 0 "[ . 1 . 2]" 4
672 1 36 SER HB2 1 59 GLN H 3.150 . 4.500 2.873 2.180 3.862 . 0 0 "[ . 1 . 2]" 4
673 1 58 VAL HA 1 59 GLN H 2.300 . 2.800 2.102 2.022 2.178 . 0 0 "[ . 1 . 2]" 4
674 1 36 SER HB3 1 59 GLN H 3.150 . 4.500 3.497 3.084 3.783 . 0 0 "[ . 1 . 2]" 4
675 1 59 GLN QG 1 60 PHE H 3.150 . 4.500 3.170 1.791 4.369 0.009 10 0 "[ . 1 . 2]" 4
676 1 60 PHE H 1 60 PHE HB2 2.650 . 3.500 2.535 2.436 2.657 . 0 0 "[ . 1 . 2]" 4
677 1 60 PHE H 1 60 PHE HB3 2.650 . 3.500 2.432 2.333 2.501 . 0 0 "[ . 1 . 2]" 4
678 1 60 PHE H 1 60 PHE HA 2.650 . 3.500 2.848 2.780 2.894 . 0 0 "[ . 1 . 2]" 4
679 1 59 GLN HA 1 60 PHE H 2.650 . 2.800 2.572 2.365 2.714 . 0 0 "[ . 1 . 2]" 4
680 1 61 LEU H 1 61 LEU HB2 2.650 . 3.500 2.676 2.582 2.792 . 0 0 "[ . 1 . 2]" 4
681 1 61 LEU H 1 61 LEU HG 3.150 . 4.500 4.448 4.389 4.477 . 0 0 "[ . 1 . 2]" 4
682 1 61 LEU H 1 61 LEU HB3 2.650 . 3.500 2.471 2.387 2.514 . 0 0 "[ . 1 . 2]" 4
683 1 60 PHE HA 1 61 LEU H 2.300 . 2.800 2.151 2.078 2.189 . 0 0 "[ . 1 . 2]" 4
684 1 61 LEU H 1 61 LEU HA 2.650 . 3.500 2.911 2.887 2.941 . 0 0 "[ . 1 . 2]" 4
685 1 35 GLY HA3 1 61 LEU H 3.150 . 4.500 4.211 4.026 4.350 . 0 0 "[ . 1 . 2]" 4
686 1 61 LEU H 1 62 HIS H 2.650 . 3.500 2.360 2.267 2.527 . 0 0 "[ . 1 . 2]" 4
687 1 61 LEU HB2 1 62 HIS H 3.150 . 4.500 3.595 3.503 3.742 . 0 0 "[ . 1 . 2]" 4
688 1 61 LEU HB3 1 62 HIS H 2.650 . 3.500 2.192 2.050 2.397 . 0 0 "[ . 1 . 2]" 4
689 1 34 CYS HB3 1 62 HIS H 3.150 . 4.500 2.824 2.741 2.929 . 0 0 "[ . 1 . 2]" 4
690 1 60 PHE HA 1 62 HIS H 3.150 . 4.500 4.099 3.903 4.261 . 0 0 "[ . 1 . 2]" 4
691 1 62 HIS H 1 62 HIS HA 2.650 . 3.500 2.822 2.795 2.852 . 0 0 "[ . 1 . 2]" 4
692 1 61 LEU HA 1 62 HIS H 3.150 . 4.500 3.556 3.536 3.568 . 0 0 "[ . 1 . 2]" 4
693 1 62 HIS HB2 1 63 ASP H 2.650 . 3.500 2.484 2.269 2.705 . 0 0 "[ . 1 . 2]" 4
694 1 62 HIS HB3 1 63 ASP H 3.150 . 4.500 3.782 3.629 3.938 . 0 0 "[ . 1 . 2]" 4
695 1 62 HIS HA 1 63 ASP H 2.300 . 2.800 2.365 2.306 2.456 . 0 0 "[ . 1 . 2]" 4
696 1 63 ASP H 1 63 ASP HA 2.650 . 3.500 2.867 2.833 2.889 . 0 0 "[ . 1 . 2]" 4
697 1 64 GLY H 1 64 GLY HA2 2.650 . 3.500 2.294 2.272 2.322 . 0 0 "[ . 1 . 2]" 4
698 1 64 GLY H 1 64 GLY HA3 2.650 . 3.500 2.894 2.877 2.907 . 0 0 "[ . 1 . 2]" 4
699 1 33 VAL HA 1 64 GLY H 2.650 . 3.500 2.358 2.128 2.512 . 0 0 "[ . 1 . 2]" 4
700 1 63 ASP HA 1 64 GLY H 2.300 . 2.800 2.332 2.261 2.447 . 0 0 "[ . 1 . 2]" 4
701 1 64 GLY H 1 65 SER H 3.150 . 4.500 4.323 4.259 4.396 . 0 0 "[ . 1 . 2]" 4
702 1 64 GLY HA2 1 65 SER H 2.300 . 2.800 2.416 2.364 2.516 . 0 0 "[ . 1 . 2]" 4
703 1 65 SER H 1 65 SER HB2 2.650 . 3.500 2.461 2.405 2.551 . 0 0 "[ . 1 . 2]" 4
704 1 65 SER H 1 65 SER HB3 2.650 . 3.500 3.493 3.444 3.514 0.014 13 0 "[ . 1 . 2]" 4
705 1 65 SER H 1 65 SER HA 2.650 . 3.500 2.795 2.763 2.832 . 0 0 "[ . 1 . 2]" 4
706 1 64 GLY HA3 1 65 SER H 2.300 . 2.800 2.670 2.571 2.759 . 0 0 "[ . 1 . 2]" 4
707 1 66 CYS H 1 66 CYS HB2 2.650 . 3.500 2.540 2.473 2.598 . 0 0 "[ . 1 . 2]" 4
708 1 66 CYS H 1 66 CYS HB3 3.150 . 4.500 3.579 3.561 3.604 . 0 0 "[ . 1 . 2]" 4
709 1 65 SER HB2 1 66 CYS H 3.150 . 4.500 3.841 3.738 3.940 . 0 0 "[ . 1 . 2]" 4
710 1 65 SER HB3 1 66 CYS H 3.150 . 4.500 2.890 2.730 3.031 . 0 0 "[ . 1 . 2]" 4
711 1 65 SER HA 1 66 CYS H 2.300 . 2.800 2.311 2.244 2.379 . 0 0 "[ . 1 . 2]" 4
712 1 66 CYS H 1 66 CYS HA 2.650 . 3.500 2.799 2.764 2.831 . 0 0 "[ . 1 . 2]" 4
713 1 43 ASN HB3 1 43 ASN HD21 2.650 . 3.500 2.178 2.146 2.217 . 0 0 "[ . 1 . 2]" 4
714 1 43 ASN HB2 1 43 ASN HD21 2.650 . 3.500 2.883 2.836 2.933 . 0 0 "[ . 1 . 2]" 4
715 1 55 ASN HB2 1 55 ASN HD21 3.150 . 4.500 2.798 2.193 3.476 . 0 0 "[ . 1 . 2]" 4
716 1 59 GLN HB2 1 59 GLN HE21 3.150 . 4.500 3.553 1.789 4.377 0.011 10 0 "[ . 1 . 2]" 4
717 1 59 GLN HB2 1 59 GLN HE22 3.650 . 5.500 4.349 3.398 5.122 . 0 0 "[ . 1 . 2]" 4
718 1 56 GLY HA2 1 59 GLN HE21 3.150 . 4.500 3.051 2.372 3.348 . 0 0 "[ . 1 . 2]" 4
719 1 56 GLY HA2 1 59 GLN HE22 3.150 . 4.500 3.664 2.248 4.529 0.029 14 0 "[ . 1 . 2]" 4
720 1 56 GLY HA3 1 59 GLN HE21 3.150 . 4.500 3.855 2.951 4.531 0.031 1 0 "[ . 1 . 2]" 4
721 1 56 GLY HA3 1 59 GLN HE22 3.150 . 4.500 4.117 3.186 4.538 0.038 17 0 "[ . 1 . 2]" 4
722 1 10 LYS HA 1 11 VAL H 2.300 . 2.800 2.367 2.101 2.620 . 0 0 "[ . 1 . 2]" 4
723 1 11 VAL HA 1 12 ASP H 2.300 . 2.800 2.313 2.138 2.614 . 0 0 "[ . 1 . 2]" 4
724 1 29 THR HA 1 30 TYR H 2.300 . 2.800 2.163 2.061 2.224 . 0 0 "[ . 1 . 2]" 4
725 1 30 TYR HA 1 31 LEU H 2.300 . 2.800 2.115 2.084 2.165 . 0 0 "[ . 1 . 2]" 4
726 1 32 PRO HA 1 33 VAL H 2.300 . 2.800 2.099 2.067 2.148 . 0 0 "[ . 1 . 2]" 4
727 1 38 TYR H 1 38 TYR HA 2.300 . 2.800 2.207 2.162 2.231 . 0 0 "[ . 1 . 2]" 4
728 1 55 ASN H 1 55 ASN HA 2.300 . 2.800 2.228 2.182 2.275 . 0 0 "[ . 1 . 2]" 4
stop_
save_
save_distance_constraint_statistics_5
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 5
_Distance_constraint_stats_list.Constraint_count 67
_Distance_constraint_stats_list.Viol_count 61
_Distance_constraint_stats_list.Viol_total 34.494
_Distance_constraint_stats_list.Viol_max 0.072
_Distance_constraint_stats_list.Viol_rms 0.0071
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0013
_Distance_constraint_stats_list.Viol_average_violations_only 0.0283
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 11 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 CYS 0.019 0.019 7 0 "[ . 1 . 2]"
1 15 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 TYR 0.019 0.019 7 0 "[ . 1 . 2]"
1 19 TYR 0.176 0.031 14 0 "[ . 1 . 2]"
1 20 PRO 0.020 0.015 9 0 "[ . 1 . 2]"
1 24 ILE 0.154 0.031 14 0 "[ . 1 . 2]"
1 25 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 CYS 0.432 0.043 4 0 "[ . 1 . 2]"
1 30 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 CYS 0.090 0.025 12 0 "[ . 1 . 2]"
1 38 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 GLY 0.040 0.013 4 0 "[ . 1 . 2]"
1 46 HIS 0.471 0.043 4 0 "[ . 1 . 2]"
1 47 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 HIS 1.058 0.072 2 0 "[ . 1 . 2]"
1 66 CYS 0.968 0.072 2 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 16 TYR QD 1 24 ILE MG 3.650 . 5.500 2.261 1.997 2.681 . 0 0 "[ . 1 . 2]" 5
2 1 15 ILE MD 1 16 TYR QE 3.650 . 5.500 2.759 2.501 3.103 . 0 0 "[ . 1 . 2]" 5
3 1 60 PHE HA 1 60 PHE QD 3.650 . 4.500 2.885 2.289 3.112 . 0 0 "[ . 1 . 2]" 5
4 1 33 VAL MG1 1 60 PHE QD 3.650 . 5.500 3.460 3.105 3.967 . 0 0 "[ . 1 . 2]" 5
5 1 11 VAL MG1 1 60 PHE QD 3.650 . 5.500 3.235 2.041 3.672 . 0 0 "[ . 1 . 2]" 5
6 1 47 LEU MD1 1 60 PHE QD 3.650 . 5.500 4.267 3.823 4.877 . 0 0 "[ . 1 . 2]" 5
7 1 47 LEU MD2 1 60 PHE QD 3.650 . 5.500 2.154 1.920 2.813 . 0 0 "[ . 1 . 2]" 5
8 1 16 TYR QD 1 19 TYR QD 3.650 . 5.500 2.871 2.344 3.534 . 0 0 "[ . 1 . 2]" 5
9 1 16 TYR QD 1 48 CYS HB3 3.650 . 5.500 3.342 2.878 4.033 . 0 0 "[ . 1 . 2]" 5
10 1 19 TYR QD 1 24 ILE MG 3.650 . 5.500 2.174 1.972 2.377 . 0 0 "[ . 1 . 2]" 5
11 1 19 TYR QD 1 24 ILE HG13 3.650 . 5.500 5.026 4.721 5.171 . 0 0 "[ . 1 . 2]" 5
12 1 19 TYR QE 1 24 ILE MG 3.650 . 5.500 3.497 3.333 3.582 . 0 0 "[ . 1 . 2]" 5
13 1 19 TYR QE 1 25 PRO HG3 3.650 . 5.500 4.231 3.184 5.111 . 0 0 "[ . 1 . 2]" 5
14 1 19 TYR QE 1 25 PRO HD3 3.650 . 5.500 4.385 4.034 4.844 . 0 0 "[ . 1 . 2]" 5
15 1 19 TYR QE 1 25 PRO HD2 3.650 . 5.500 3.464 3.020 3.917 . 0 0 "[ . 1 . 2]" 5
16 1 19 TYR QE 1 24 ILE HB 4.150 . 6.500 6.463 6.278 6.531 0.031 14 0 "[ . 1 . 2]" 5
17 1 19 TYR HA 1 19 TYR QE 3.650 . 5.500 4.690 4.594 4.793 . 0 0 "[ . 1 . 2]" 5
18 1 60 PHE QD 1 61 LEU HA 3.650 . 5.500 4.456 4.195 4.987 . 0 0 "[ . 1 . 2]" 5
19 1 33 VAL HB 1 60 PHE QD 3.650 . 4.500 3.010 2.781 3.459 . 0 0 "[ . 1 . 2]" 5
20 1 60 PHE HB3 1 60 PHE QE 3.650 . 4.500 4.388 4.351 4.415 . 0 0 "[ . 1 . 2]" 5
21 1 33 VAL HB 1 60 PHE QE 3.650 . 4.500 2.724 2.078 3.522 . 0 0 "[ . 1 . 2]" 5
22 1 46 HIS HA 1 46 HIS HE1 3.650 . 5.500 4.846 4.652 5.087 . 0 0 "[ . 1 . 2]" 5
23 1 34 CYS HA 1 62 HIS HE1 4.150 . 6.500 5.610 5.472 5.715 . 0 0 "[ . 1 . 2]" 5
24 1 62 HIS HE1 1 66 CYS HB2 3.650 . 5.500 5.166 5.003 5.282 . 0 0 "[ . 1 . 2]" 5
25 1 61 LEU MD2 1 62 HIS HD2 3.650 . 5.500 2.336 2.136 2.474 . 0 0 "[ . 1 . 2]" 5
26 1 16 TYR HA 1 16 TYR QD 3.150 . 4.500 2.665 2.479 3.035 . 0 0 "[ . 1 . 2]" 5
27 1 13 CYS HA 1 16 TYR QD 3.150 . 4.500 2.312 1.946 2.686 . 0 0 "[ . 1 . 2]" 5
28 1 16 TYR HB3 1 16 TYR QD 2.650 . 3.500 2.509 2.365 2.573 . 0 0 "[ . 1 . 2]" 5
29 1 16 TYR HB2 1 16 TYR QD 2.650 . 3.500 2.329 2.282 2.417 . 0 0 "[ . 1 . 2]" 5
30 1 15 ILE HG13 1 16 TYR QD 3.150 . 4.500 2.931 2.611 3.159 . 0 0 "[ . 1 . 2]" 5
31 1 19 TYR HA 1 19 TYR QD 3.150 . 4.500 2.667 2.450 2.917 . 0 0 "[ . 1 . 2]" 5
32 1 19 TYR HB3 1 19 TYR QD 2.650 . 3.500 2.569 2.465 2.711 . 0 0 "[ . 1 . 2]" 5
33 1 19 TYR HB2 1 19 TYR QD 2.650 . 3.500 2.256 2.205 2.305 . 0 0 "[ . 1 . 2]" 5
34 1 19 TYR HB3 1 19 TYR QE 3.150 . 4.500 4.458 4.434 4.502 0.002 20 0 "[ . 1 . 2]" 5
35 1 30 TYR HA 1 30 TYR QD 2.650 . 3.500 2.912 2.561 3.078 . 0 0 "[ . 1 . 2]" 5
36 1 30 TYR HB3 1 30 TYR QD 2.650 . 3.500 2.391 2.299 2.445 . 0 0 "[ . 1 . 2]" 5
37 1 30 TYR HB2 1 30 TYR QD 2.650 . 3.500 2.422 2.351 2.594 . 0 0 "[ . 1 . 2]" 5
38 1 30 TYR QE 1 42 GLY HA2 3.150 . 4.500 2.521 2.027 2.964 . 0 0 "[ . 1 . 2]" 5
39 1 30 TYR HB2 1 30 TYR QE 3.150 . 4.500 4.422 4.392 4.500 . 0 0 "[ . 1 . 2]" 5
40 1 13 CYS HA 1 16 TYR QE 3.150 . 4.500 4.133 3.605 4.519 0.019 7 0 "[ . 1 . 2]" 5
41 1 38 TYR HB3 1 38 TYR QD 3.150 . 4.500 2.473 2.313 2.643 . 0 0 "[ . 1 . 2]" 5
42 1 38 TYR HB2 1 38 TYR QD 2.650 . 3.500 2.350 2.258 2.493 . 0 0 "[ . 1 . 2]" 5
43 1 38 TYR HA 1 38 TYR QD 3.150 . 4.500 2.669 2.309 3.024 . 0 0 "[ . 1 . 2]" 5
44 1 60 PHE HB2 1 60 PHE QD 3.150 . 4.500 2.418 2.317 2.691 . 0 0 "[ . 1 . 2]" 5
45 1 60 PHE HB3 1 60 PHE QD 3.150 . 3.500 2.366 2.260 2.464 . 0 0 "[ . 1 . 2]" 5
46 1 61 LEU MD1 1 62 HIS HD2 3.150 . 4.500 3.719 3.609 3.908 . 0 0 "[ . 1 . 2]" 5
47 1 62 HIS HB3 1 62 HIS HD2 2.650 . 3.500 2.770 2.740 2.819 . 0 0 "[ . 1 . 2]" 5
48 1 15 ILE HG13 1 16 TYR QE 3.150 . 4.500 3.296 3.063 3.529 . 0 0 "[ . 1 . 2]" 5
49 1 19 TYR QD 1 25 PRO HG2 3.150 . 4.500 3.902 3.290 4.341 . 0 0 "[ . 1 . 2]" 5
50 1 19 TYR QD 1 25 PRO HD3 3.150 . 4.500 3.554 3.277 3.910 . 0 0 "[ . 1 . 2]" 5
51 1 19 TYR QD 1 20 PRO HD2 3.150 . 4.500 3.239 2.976 3.597 . 0 0 "[ . 1 . 2]" 5
52 1 19 TYR QD 1 20 PRO HD3 3.150 . 4.500 4.311 4.079 4.515 0.015 9 0 "[ . 1 . 2]" 5
53 1 16 TYR HA 1 19 TYR QD 3.150 . 4.500 2.088 1.941 2.340 . 0 0 "[ . 1 . 2]" 5
54 1 16 TYR HA 1 19 TYR QE 3.150 . 4.500 2.616 2.273 3.219 . 0 0 "[ . 1 . 2]" 5
55 1 30 TYR QD 1 32 PRO HD2 3.150 . 4.500 3.879 3.644 4.342 . 0 0 "[ . 1 . 2]" 5
56 1 30 TYR QD 1 42 GLY HA2 3.150 . 4.500 3.393 2.622 3.902 . 0 0 "[ . 1 . 2]" 5
57 1 30 TYR QD 1 42 GLY HA3 3.150 . 4.500 3.398 2.972 3.872 . 0 0 "[ . 1 . 2]" 5
58 1 38 TYR HB3 1 38 TYR QE 3.150 . 4.500 4.434 4.383 4.495 . 0 0 "[ . 1 . 2]" 5
59 1 42 GLY HA3 1 46 HIS HD2 2.650 . 3.500 3.128 2.726 3.513 0.013 4 0 "[ . 1 . 2]" 5
60 1 62 HIS HB2 1 62 HIS HD2 3.150 . 4.500 3.850 3.824 3.893 . 0 0 "[ . 1 . 2]" 5
61 1 26 CYS HB2 1 46 HIS HE1 3.150 . 4.500 3.788 3.387 4.351 . 0 0 "[ . 1 . 2]" 5
62 1 26 CYS HB3 1 46 HIS HE1 3.150 . 4.500 4.503 4.339 4.543 0.043 4 0 "[ . 1 . 2]" 5
63 1 62 HIS HE1 1 66 CYS HB3 3.150 . 4.500 4.548 4.517 4.572 0.072 2 0 "[ . 1 . 2]" 5
64 1 34 CYS HB2 1 62 HIS HE1 2.650 . 3.500 3.202 3.098 3.277 . 0 0 "[ . 1 . 2]" 5
65 1 34 CYS HB3 1 62 HIS HE1 2.650 . 3.500 3.441 3.247 3.525 0.025 12 0 "[ . 1 . 2]" 5
66 1 61 LEU HG 1 62 HIS HD2 2.300 . 2.800 2.125 2.024 2.345 . 0 0 "[ . 1 . 2]" 5
67 1 62 HIS HE1 1 66 CYS HA 2.300 . 2.800 2.202 2.120 2.284 . 0 0 "[ . 1 . 2]" 5
stop_
save_
save_distance_constraint_statistics_6
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 6
_Distance_constraint_stats_list.Constraint_count 631
_Distance_constraint_stats_list.Viol_count 240
_Distance_constraint_stats_list.Viol_total 105.238
_Distance_constraint_stats_list.Viol_max 0.148
_Distance_constraint_stats_list.Viol_rms 0.0041
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0004
_Distance_constraint_stats_list.Viol_average_violations_only 0.0219
_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 1 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 SER 0.083 0.048 14 0 "[ . 1 . 2]"
1 8 PRO 0.083 0.048 14 0 "[ . 1 . 2]"
1 9 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 LYS 0.091 0.049 19 0 "[ . 1 . 2]"
1 11 VAL 0.090 0.028 8 0 "[ . 1 . 2]"
1 12 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 CYS 0.166 0.036 7 0 "[ . 1 . 2]"
1 14 SER 0.121 0.043 1 0 "[ . 1 . 2]"
1 15 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 LYS 0.056 0.043 1 0 "[ . 1 . 2]"
1 18 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 TYR 0.064 0.018 19 0 "[ . 1 . 2]"
1 20 PRO 0.028 0.015 19 0 "[ . 1 . 2]"
1 21 VAL 0.135 0.064 9 0 "[ . 1 . 2]"
1 22 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ILE 0.029 0.019 19 0 "[ . 1 . 2]"
1 25 PRO 0.037 0.018 19 0 "[ . 1 . 2]"
1 26 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 PRO 0.004 0.004 9 0 "[ . 1 . 2]"
1 28 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 THR 0.247 0.046 11 0 "[ . 1 . 2]"
1 30 TYR 0.167 0.046 11 0 "[ . 1 . 2]"
1 31 LEU 0.115 0.027 5 0 "[ . 1 . 2]"
1 32 PRO 0.120 0.082 6 0 "[ . 1 . 2]"
1 33 VAL 0.001 0.001 6 0 "[ . 1 . 2]"
1 34 CYS 1.425 0.115 11 0 "[ . 1 . 2]"
1 35 GLY 0.203 0.075 5 0 "[ . 1 . 2]"
1 36 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 ASP 0.409 0.032 13 0 "[ . 1 . 2]"
1 38 TYR 0.542 0.054 16 0 "[ . 1 . 2]"
1 39 ILE 0.409 0.032 13 0 "[ . 1 . 2]"
1 40 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 TYR 0.051 0.015 11 0 "[ . 1 . 2]"
1 42 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 ASN 0.049 0.021 3 0 "[ . 1 . 2]"
1 44 GLU 0.091 0.028 8 0 "[ . 1 . 2]"
1 45 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 HIS 0.060 0.021 3 0 "[ . 1 . 2]"
1 47 LEU 0.072 0.022 12 0 "[ . 1 . 2]"
1 48 CYS 0.154 0.036 7 0 "[ . 1 . 2]"
1 49 THR 0.055 0.019 14 0 "[ . 1 . 2]"
1 50 GLU 0.212 0.041 1 0 "[ . 1 . 2]"
1 51 SER 0.448 0.148 2 0 "[ . 1 . 2]"
1 52 LEU 0.126 0.028 2 0 "[ . 1 . 2]"
1 53 LYS 0.092 0.064 9 0 "[ . 1 . 2]"
1 54 SER 0.001 0.001 12 0 "[ . 1 . 2]"
1 55 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 ARG 0.131 0.036 12 0 "[ . 1 . 2]"
1 58 VAL 0.689 0.148 2 0 "[ . 1 . 2]"
1 59 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 PHE 0.013 0.008 13 0 "[ . 1 . 2]"
1 61 LEU 0.833 0.046 3 0 "[ . 1 . 2]"
1 62 HIS 0.903 0.052 11 0 "[ . 1 . 2]"
1 63 ASP 0.141 0.054 5 0 "[ . 1 . 2]"
1 64 GLY 0.038 0.027 11 0 "[ . 1 . 2]"
1 65 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 CYS 1.202 0.115 11 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 LYS HE3 1 9 LYS HG3 3.650 . 5.500 3.008 2.402 3.790 . 0 0 "[ . 1 . 2]" 6
2 1 9 LYS HE3 1 9 LYS HG2 3.650 . 5.500 3.298 2.496 4.221 . 0 0 "[ . 1 . 2]" 6
3 1 9 LYS HE2 1 9 LYS HG2 3.650 . 5.500 3.026 2.393 3.726 . 0 0 "[ . 1 . 2]" 6
4 1 33 VAL MG1 1 63 ASP HB2 3.650 . 5.500 3.957 2.483 5.444 . 0 0 "[ . 1 . 2]" 6
5 1 11 VAL HA 1 60 PHE HB2 3.650 . 5.500 4.415 3.909 5.112 . 0 0 "[ . 1 . 2]" 6
6 1 11 VAL HB 1 60 PHE HB2 3.650 . 4.500 2.687 2.026 4.175 . 0 0 "[ . 1 . 2]" 6
7 1 11 VAL HB 1 60 PHE HB3 3.650 . 5.500 3.924 3.302 5.408 . 0 0 "[ . 1 . 2]" 6
8 1 11 VAL MG2 1 13 CYS H 3.650 . 5.500 4.122 3.208 5.186 . 0 0 "[ . 1 . 2]" 6
9 1 11 VAL MG1 1 60 PHE QE 3.650 . 5.500 4.761 3.315 5.351 . 0 0 "[ . 1 . 2]" 6
10 1 11 VAL MG2 1 60 PHE QD 3.650 . 5.500 3.716 2.964 4.578 . 0 0 "[ . 1 . 2]" 6
11 1 11 VAL MG1 1 60 PHE HB2 3.650 . 5.500 2.159 1.933 2.867 . 0 0 "[ . 1 . 2]" 6
12 1 11 VAL MG2 1 60 PHE HB2 3.650 . 5.500 3.947 1.936 4.529 . 0 0 "[ . 1 . 2]" 6
13 1 11 VAL MG2 1 44 GLU HB3 3.650 . 5.500 2.647 1.976 3.562 . 0 0 "[ . 1 . 2]" 6
14 1 11 VAL MG1 1 44 GLU HB3 3.650 . 5.500 4.125 1.982 5.528 0.028 8 0 "[ . 1 . 2]" 6
15 1 11 VAL MG1 1 47 LEU HG 3.650 . 5.500 2.874 2.243 4.185 . 0 0 "[ . 1 . 2]" 6
16 1 12 ASP HB2 1 15 ILE MG 3.650 . 5.500 4.664 4.296 5.325 . 0 0 "[ . 1 . 2]" 6
17 1 12 ASP HB3 1 15 ILE MG 3.650 . 5.500 3.888 3.267 4.615 . 0 0 "[ . 1 . 2]" 6
18 1 13 CYS HB3 1 16 TYR QD 4.150 . 6.500 5.243 4.868 5.566 . 0 0 "[ . 1 . 2]" 6
19 1 13 CYS HB3 1 52 LEU MD1 3.650 . 5.500 4.906 4.483 5.386 . 0 0 "[ . 1 . 2]" 6
20 1 51 SER HA 1 58 VAL H 3.650 . 5.500 3.107 2.794 3.331 . 0 0 "[ . 1 . 2]" 6
21 1 14 SER HA 1 52 LEU MD1 3.650 . 5.500 5.288 4.861 5.524 0.024 17 0 "[ . 1 . 2]" 6
22 1 51 SER HA 1 58 VAL MG2 3.650 . 4.500 4.346 4.104 4.525 0.025 9 0 "[ . 1 . 2]" 6
23 1 15 ILE HG12 1 16 TYR QD 3.650 . 5.500 3.501 3.082 3.746 . 0 0 "[ . 1 . 2]" 6
24 1 15 ILE HG12 1 16 TYR QE 3.650 . 5.500 3.803 3.414 4.122 . 0 0 "[ . 1 . 2]" 6
25 1 15 ILE HA 1 15 ILE HG12 3.650 . 4.500 3.731 3.679 3.785 . 0 0 "[ . 1 . 2]" 6
26 1 15 ILE MG 1 16 TYR H 3.650 . 5.500 4.172 4.080 4.304 . 0 0 "[ . 1 . 2]" 6
27 1 15 ILE H 1 15 ILE MD 3.650 . 5.500 3.674 3.560 3.802 . 0 0 "[ . 1 . 2]" 6
28 1 15 ILE HA 1 15 ILE MD 3.650 . 5.500 4.207 4.175 4.223 . 0 0 "[ . 1 . 2]" 6
29 1 16 TYR HB3 1 24 ILE MG 3.650 . 5.500 2.085 1.870 2.325 . 0 0 "[ . 1 . 2]" 6
30 1 16 TYR HB2 1 24 ILE MG 3.650 . 5.500 3.523 3.326 3.696 . 0 0 "[ . 1 . 2]" 6
31 1 17 LYS HB2 1 18 LYS H 3.650 . 5.500 3.337 3.070 4.043 . 0 0 "[ . 1 . 2]" 6
32 1 17 LYS H 1 17 LYS HG3 3.650 . 5.500 2.903 2.254 4.363 . 0 0 "[ . 1 . 2]" 6
33 1 17 LYS H 1 17 LYS HG2 3.650 . 5.500 3.531 2.174 4.487 . 0 0 "[ . 1 . 2]" 6
34 1 18 LYS QE 1 18 LYS HG2 3.650 . 5.500 2.689 2.354 3.519 . 0 0 "[ . 1 . 2]" 6
35 1 19 TYR HB3 1 20 PRO HD3 3.650 . 5.500 3.749 3.576 3.854 . 0 0 "[ . 1 . 2]" 6
36 1 40 THR MG 1 66 CYS HB2 3.650 . 5.500 4.707 4.512 4.907 . 0 0 "[ . 1 . 2]" 6
37 1 21 VAL MG1 1 22 VAL H 3.650 . 5.500 3.666 2.585 4.200 . 0 0 "[ . 1 . 2]" 6
38 1 21 VAL MG1 1 52 LEU HA 3.650 . 5.500 4.367 3.854 5.516 0.016 7 0 "[ . 1 . 2]" 6
39 1 21 VAL MG1 1 52 LEU HB2 3.650 . 5.500 2.538 2.127 4.054 . 0 0 "[ . 1 . 2]" 6
40 1 21 VAL MG1 1 52 LEU HB3 3.650 . 5.500 2.666 2.061 3.750 . 0 0 "[ . 1 . 2]" 6
41 1 20 PRO HA 1 21 VAL MG2 3.650 . 5.500 3.713 3.459 5.511 0.011 7 0 "[ . 1 . 2]" 6
42 1 21 VAL H 1 21 VAL MG2 3.650 . 5.500 2.110 1.932 3.787 . 0 0 "[ . 1 . 2]" 6
43 1 20 PRO HB2 1 23 ALA MB 3.650 . 4.500 3.366 2.843 3.778 . 0 0 "[ . 1 . 2]" 6
44 1 19 TYR QD 1 24 ILE HA 3.650 . 5.500 3.647 3.316 3.910 . 0 0 "[ . 1 . 2]" 6
45 1 34 CYS HB2 1 64 GLY H 3.650 . 5.500 5.227 5.048 5.429 . 0 0 "[ . 1 . 2]" 6
46 1 24 ILE HB 1 49 THR HB 3.650 . 5.500 4.779 4.410 5.390 . 0 0 "[ . 1 . 2]" 6
47 1 19 TYR HB3 1 24 ILE HB 3.650 . 5.500 5.229 4.927 5.506 0.006 13 0 "[ . 1 . 2]" 6
48 1 24 ILE HB 1 49 THR MG 3.650 . 5.500 3.116 1.920 3.918 . 0 0 "[ . 1 . 2]" 6
49 1 19 TYR HB3 1 24 ILE HG12 3.650 . 5.500 2.971 2.608 3.395 . 0 0 "[ . 1 . 2]" 6
50 1 19 TYR HB2 1 24 ILE HG13 3.650 . 5.500 3.741 3.597 3.881 . 0 0 "[ . 1 . 2]" 6
51 1 21 VAL HA 1 24 ILE HG13 3.650 . 5.500 3.193 2.571 4.092 . 0 0 "[ . 1 . 2]" 6
52 1 16 TYR QE 1 24 ILE MG 3.650 . 5.500 3.656 3.427 4.117 . 0 0 "[ . 1 . 2]" 6
53 1 24 ILE MG 1 26 CYS HA 3.650 . 5.500 3.914 3.754 4.153 . 0 0 "[ . 1 . 2]" 6
54 1 16 TYR HA 1 24 ILE MG 3.650 . 5.500 3.278 2.800 3.662 . 0 0 "[ . 1 . 2]" 6
55 1 24 ILE MG 1 27 PRO HD2 4.150 . 6.500 5.319 5.127 5.722 . 0 0 "[ . 1 . 2]" 6
56 1 24 ILE MG 1 25 PRO HD2 3.650 . 5.500 2.661 2.258 3.008 . 0 0 "[ . 1 . 2]" 6
57 1 24 ILE MG 1 49 THR MG 4.150 . 6.500 3.976 2.635 4.693 . 0 0 "[ . 1 . 2]" 6
58 1 19 TYR H 1 24 ILE MD 3.650 . 5.500 4.343 3.890 4.823 . 0 0 "[ . 1 . 2]" 6
59 1 16 TYR QD 1 24 ILE MD 3.650 . 5.500 3.963 3.668 4.439 . 0 0 "[ . 1 . 2]" 6
60 1 16 TYR HB2 1 24 ILE MD 3.650 . 5.500 3.403 2.980 3.935 . 0 0 "[ . 1 . 2]" 6
61 1 24 ILE MD 1 24 ILE MG 3.650 . 4.500 1.946 1.883 2.037 . 0 0 "[ . 1 . 2]" 6
62 1 25 PRO QB 1 25 PRO HD3 3.650 . 5.500 3.307 2.900 3.540 . 0 0 "[ . 1 . 2]" 6
63 1 24 ILE HA 1 25 PRO HG3 3.650 . 5.500 4.281 4.037 4.462 . 0 0 "[ . 1 . 2]" 6
64 1 24 ILE MG 1 25 PRO HD3 3.650 . 5.500 3.610 3.129 4.011 . 0 0 "[ . 1 . 2]" 6
65 1 16 TYR QE 1 48 CYS HB3 3.650 . 5.500 4.510 3.964 5.220 . 0 0 "[ . 1 . 2]" 6
66 1 26 CYS HA 1 27 PRO HG3 3.650 . 5.500 4.493 4.432 4.580 . 0 0 "[ . 1 . 2]" 6
67 1 26 CYS HA 1 27 PRO HG2 3.650 . 5.500 4.374 4.251 4.502 . 0 0 "[ . 1 . 2]" 6
68 1 28 ILE HA 1 28 ILE HG12 3.650 . 5.500 3.798 3.680 4.283 . 0 0 "[ . 1 . 2]" 6
69 1 28 ILE HG12 1 29 THR H 3.650 . 5.500 3.532 3.035 5.239 . 0 0 "[ . 1 . 2]" 6
70 1 28 ILE MG 1 29 THR HA 4.150 . 6.500 5.544 5.434 5.640 . 0 0 "[ . 1 . 2]" 6
71 1 28 ILE HA 1 28 ILE MD 3.650 . 5.500 4.157 3.665 4.222 . 0 0 "[ . 1 . 2]" 6
72 1 29 THR HA 1 31 LEU MD1 3.650 . 5.500 5.104 3.936 5.516 0.016 15 0 "[ . 1 . 2]" 6
73 1 29 THR HB 1 31 LEU MD1 3.650 . 5.500 3.110 2.115 3.779 . 0 0 "[ . 1 . 2]" 6
74 1 27 PRO HB3 1 29 THR HB 3.650 . 5.500 4.372 4.065 4.798 . 0 0 "[ . 1 . 2]" 6
75 1 29 THR HB 1 43 ASN HD21 3.650 . 5.500 4.148 3.663 4.690 . 0 0 "[ . 1 . 2]" 6
76 1 29 THR MG 1 31 LEU MD1 3.650 . 5.500 2.717 2.076 3.362 . 0 0 "[ . 1 . 2]" 6
77 1 31 LEU HB2 1 43 ASN HA 3.650 . 5.500 2.558 2.273 3.016 . 0 0 "[ . 1 . 2]" 6
78 1 31 LEU HB3 1 43 ASN HB2 3.650 . 5.500 4.545 4.171 5.000 . 0 0 "[ . 1 . 2]" 6
79 1 31 LEU HB3 1 32 PRO HD3 3.650 . 5.500 4.786 4.522 4.923 . 0 0 "[ . 1 . 2]" 6
80 1 31 LEU HB2 1 32 PRO HD3 3.650 . 5.500 5.164 4.877 5.272 . 0 0 "[ . 1 . 2]" 6
81 1 31 LEU HB2 1 43 ASN HB3 3.650 . 5.500 2.980 2.676 3.390 . 0 0 "[ . 1 . 2]" 6
82 1 29 THR MG 1 31 LEU HB3 3.650 . 5.500 4.837 4.651 5.314 . 0 0 "[ . 1 . 2]" 6
83 1 31 LEU HA 1 31 LEU MD2 3.650 . 5.500 2.537 2.090 3.794 . 0 0 "[ . 1 . 2]" 6
84 1 30 TYR QE 1 32 PRO HB2 3.650 . 5.500 4.411 4.007 4.703 . 0 0 "[ . 1 . 2]" 6
85 1 30 TYR QE 1 32 PRO HB3 3.650 . 5.500 2.829 2.308 3.394 . 0 0 "[ . 1 . 2]" 6
86 1 32 PRO HB2 1 65 SER HA 3.650 . 5.500 3.286 2.959 3.825 . 0 0 "[ . 1 . 2]" 6
87 1 32 PRO HB2 1 64 GLY HA2 3.650 . 5.500 2.574 2.226 2.861 . 0 0 "[ . 1 . 2]" 6
88 1 32 PRO HB3 1 32 PRO HD3 3.650 . 5.500 3.181 2.983 3.879 . 0 0 "[ . 1 . 2]" 6
89 1 32 PRO HG3 1 64 GLY HA2 3.650 . 5.500 4.123 3.813 4.929 . 0 0 "[ . 1 . 2]" 6
90 1 30 TYR QE 1 32 PRO HG2 3.650 . 5.500 4.523 3.947 5.081 . 0 0 "[ . 1 . 2]" 6
91 1 30 TYR QE 1 32 PRO HD2 3.650 . 5.500 4.478 4.238 4.897 . 0 0 "[ . 1 . 2]" 6
92 1 30 TYR QE 1 32 PRO HD3 3.650 . 5.500 2.893 2.576 3.233 . 0 0 "[ . 1 . 2]" 6
93 1 32 PRO HD2 1 64 GLY HA2 3.650 . 5.500 4.653 4.340 4.881 . 0 0 "[ . 1 . 2]" 6
94 1 31 LEU MD1 1 32 PRO HD2 3.650 . 5.500 5.232 4.934 5.431 . 0 0 "[ . 1 . 2]" 6
95 1 33 VAL HB 1 47 LEU MD1 3.650 . 5.500 4.501 4.109 4.894 . 0 0 "[ . 1 . 2]" 6
96 1 33 VAL MG1 1 63 ASP HB3 3.650 . 5.500 4.267 3.018 5.291 . 0 0 "[ . 1 . 2]" 6
97 1 32 PRO HA 1 33 VAL MG1 3.650 . 5.500 3.968 3.890 4.013 . 0 0 "[ . 1 . 2]" 6
98 1 33 VAL MG1 1 60 PHE QE 3.650 . 5.500 2.328 2.087 2.720 . 0 0 "[ . 1 . 2]" 6
99 1 33 VAL MG1 1 34 CYS H 3.650 . 5.500 3.737 3.653 3.793 . 0 0 "[ . 1 . 2]" 6
100 1 33 VAL MG2 1 60 PHE QE 3.650 . 5.500 3.961 3.455 4.779 . 0 0 "[ . 1 . 2]" 6
101 1 33 VAL MG2 1 40 THR HA 3.650 . 5.500 4.401 4.291 4.530 . 0 0 "[ . 1 . 2]" 6
102 1 32 PRO HA 1 33 VAL MG2 3.650 . 5.500 3.824 3.720 3.926 . 0 0 "[ . 1 . 2]" 6
103 1 33 VAL MG2 1 41 TYR HB2 3.650 . 5.500 1.933 1.865 1.979 . 0 0 "[ . 1 . 2]" 6
104 1 34 CYS HB2 1 40 THR HA 3.650 . 5.500 3.796 3.674 3.908 . 0 0 "[ . 1 . 2]" 6
105 1 34 CYS HB2 1 66 CYS HA 3.650 . 4.500 2.729 2.636 2.914 . 0 0 "[ . 1 . 2]" 6
106 1 35 GLY HA2 1 47 LEU MD1 3.650 . 5.500 2.689 2.489 2.971 . 0 0 "[ . 1 . 2]" 6
107 1 36 SER HA 1 61 LEU HA 3.650 . 5.500 4.043 3.802 4.334 . 0 0 "[ . 1 . 2]" 6
108 1 36 SER HA 1 38 TYR HA 3.650 . 5.500 4.848 4.490 5.196 . 0 0 "[ . 1 . 2]" 6
109 1 36 SER HB2 1 61 LEU MD1 3.650 . 5.500 4.038 3.119 4.755 . 0 0 "[ . 1 . 2]" 6
110 1 36 SER HB2 1 61 LEU MD2 3.650 . 5.500 4.879 4.366 5.247 . 0 0 "[ . 1 . 2]" 6
111 1 37 ASP HA 1 58 VAL MG2 3.650 . 5.500 4.156 3.865 4.355 . 0 0 "[ . 1 . 2]" 6
112 1 37 ASP HB2 1 58 VAL MG2 3.650 . 5.500 2.652 2.295 2.998 . 0 0 "[ . 1 . 2]" 6
113 1 37 ASP HB2 1 39 ILE HG13 3.650 . 5.500 4.918 4.648 5.146 . 0 0 "[ . 1 . 2]" 6
114 1 57 ARG HA 1 57 ARG HE 3.650 . 5.500 4.865 3.874 5.366 . 0 0 "[ . 1 . 2]" 6
115 1 37 ASP HB2 1 39 ILE HB 3.650 . 5.500 5.048 4.810 5.301 . 0 0 "[ . 1 . 2]" 6
116 1 39 ILE HB 1 41 TYR QD 3.650 . 5.500 4.068 3.765 4.269 . 0 0 "[ . 1 . 2]" 6
117 1 38 TYR H 1 39 ILE HB 3.650 . 5.500 4.810 4.658 4.916 . 0 0 "[ . 1 . 2]" 6
118 1 37 ASP HB2 1 39 ILE HG12 3.650 . 5.500 4.256 4.097 4.356 . 0 0 "[ . 1 . 2]" 6
119 1 39 ILE MG 1 41 TYR QD 3.650 . 5.500 3.590 3.377 3.709 . 0 0 "[ . 1 . 2]" 6
120 1 39 ILE MG 1 40 THR HA 3.650 . 5.500 3.959 3.828 4.055 . 0 0 "[ . 1 . 2]" 6
121 1 39 ILE MG 1 41 TYR HA 3.650 . 5.500 3.746 3.432 4.145 . 0 0 "[ . 1 . 2]" 6
122 1 39 ILE MD 1 39 ILE MG 3.650 . 4.500 2.026 1.980 2.067 . 0 0 "[ . 1 . 2]" 6
123 1 40 THR HB 1 66 CYS H 3.650 . 5.500 3.949 3.824 4.117 . 0 0 "[ . 1 . 2]" 6
124 1 39 ILE MG 1 40 THR HB 3.650 . 5.500 4.223 4.084 4.368 . 0 0 "[ . 1 . 2]" 6
125 1 33 VAL H 1 40 THR MG 3.650 . 5.500 3.126 2.913 3.280 . 0 0 "[ . 1 . 2]" 6
126 1 34 CYS HA 1 40 THR MG 3.650 . 5.500 3.703 3.499 3.985 . 0 0 "[ . 1 . 2]" 6
127 1 40 THR MG 1 65 SER HB2 3.650 . 4.500 3.870 3.655 4.074 . 0 0 "[ . 1 . 2]" 6
128 1 32 PRO HB2 1 40 THR MG 3.650 . 4.500 3.301 2.876 3.864 . 0 0 "[ . 1 . 2]" 6
129 1 41 TYR HA 1 41 TYR QD 3.650 . 5.500 2.895 2.756 3.076 . 0 0 "[ . 1 . 2]" 6
130 1 42 GLY HA2 1 43 ASN H 3.650 . 5.500 3.430 3.361 3.488 . 0 0 "[ . 1 . 2]" 6
131 1 30 TYR QE 1 42 GLY HA3 3.650 . 5.500 3.034 2.801 3.313 . 0 0 "[ . 1 . 2]" 6
132 1 32 PRO HB3 1 42 GLY HA2 3.650 . 5.500 4.913 4.698 5.382 . 0 0 "[ . 1 . 2]" 6
133 1 40 THR MG 1 42 GLY HA2 3.650 . 5.500 4.211 3.959 4.356 . 0 0 "[ . 1 . 2]" 6
134 1 43 ASN H 1 43 ASN HB2 3.650 . 5.500 4.119 4.064 4.188 . 0 0 "[ . 1 . 2]" 6
135 1 31 LEU HB3 1 43 ASN HB3 3.650 . 5.500 4.658 4.368 5.026 . 0 0 "[ . 1 . 2]" 6
136 1 27 PRO HG3 1 43 ASN HB2 3.650 . 5.500 4.432 3.885 4.894 . 0 0 "[ . 1 . 2]" 6
137 1 31 LEU MD1 1 43 ASN HB2 3.650 . 5.500 2.923 2.354 3.720 . 0 0 "[ . 1 . 2]" 6
138 1 44 GLU HB2 1 45 CYS H 3.650 . 5.500 3.440 2.151 4.072 . 0 0 "[ . 1 . 2]" 6
139 1 44 GLU HB3 1 47 LEU HB3 3.650 . 5.500 4.322 3.870 4.863 . 0 0 "[ . 1 . 2]" 6
140 1 44 GLU HB2 1 47 LEU HB3 3.650 . 5.500 4.179 3.457 5.445 . 0 0 "[ . 1 . 2]" 6
141 1 33 VAL MG2 1 44 GLU HB3 3.650 . 5.500 3.821 2.999 5.262 . 0 0 "[ . 1 . 2]" 6
142 1 33 VAL MG2 1 44 GLU HB2 3.650 . 5.500 4.496 3.741 5.501 0.001 6 0 "[ . 1 . 2]" 6
143 1 31 LEU MD1 1 44 GLU HB3 3.650 . 5.500 4.998 4.351 5.527 0.027 5 0 "[ . 1 . 2]" 6
144 1 45 CYS HA 1 46 HIS H 3.650 . 5.500 3.545 3.512 3.565 . 0 0 "[ . 1 . 2]" 6
145 1 16 TYR QE 1 45 CYS HA 3.650 . 5.500 3.367 3.045 3.925 . 0 0 "[ . 1 . 2]" 6
146 1 45 CYS HA 1 48 CYS HB2 3.650 . 5.500 3.721 3.238 4.010 . 0 0 "[ . 1 . 2]" 6
147 1 26 CYS HB2 1 45 CYS HB2 3.650 . 5.500 4.929 4.639 5.125 . 0 0 "[ . 1 . 2]" 6
148 1 26 CYS HA 1 45 CYS HB3 3.650 . 5.500 3.192 2.771 3.477 . 0 0 "[ . 1 . 2]" 6
149 1 26 CYS HA 1 45 CYS HB2 3.650 . 4.500 2.917 2.215 3.324 . 0 0 "[ . 1 . 2]" 6
150 1 16 TYR QE 1 45 CYS HB3 3.650 . 5.500 4.408 4.057 5.135 . 0 0 "[ . 1 . 2]" 6
151 1 16 TYR QE 1 45 CYS HB2 3.650 . 5.500 2.929 2.389 3.779 . 0 0 "[ . 1 . 2]" 6
152 1 41 TYR HB2 1 46 HIS HB3 3.650 . 5.500 5.050 4.813 5.227 . 0 0 "[ . 1 . 2]" 6
153 1 41 TYR HB2 1 46 HIS HB2 3.650 . 4.500 4.076 3.757 4.361 . 0 0 "[ . 1 . 2]" 6
154 1 41 TYR QD 1 46 HIS HB3 3.150 . 4.500 2.635 2.218 3.197 . 0 0 "[ . 1 . 2]" 6
155 1 41 TYR QD 1 46 HIS HB2 3.650 . 5.500 3.186 2.756 3.812 . 0 0 "[ . 1 . 2]" 6
156 1 46 HIS HB3 1 46 HIS HD2 3.650 . 5.500 3.757 3.619 3.850 . 0 0 "[ . 1 . 2]" 6
157 1 46 HIS HB2 1 46 HIS HD2 3.650 . 5.500 2.688 2.643 2.738 . 0 0 "[ . 1 . 2]" 6
158 1 42 GLY H 1 46 HIS HB3 3.650 . 5.500 3.890 3.338 4.224 . 0 0 "[ . 1 . 2]" 6
159 1 41 TYR QD 1 47 LEU HA 3.650 . 5.500 3.335 3.062 3.640 . 0 0 "[ . 1 . 2]" 6
160 1 47 LEU HA 1 50 GLU HB3 3.650 . 5.500 3.880 2.912 5.133 . 0 0 "[ . 1 . 2]" 6
161 1 47 LEU HA 1 50 GLU HG2 3.650 . 5.500 4.579 3.300 5.237 . 0 0 "[ . 1 . 2]" 6
162 1 46 HIS HB2 1 47 LEU HA 3.650 . 5.500 4.459 4.349 4.632 . 0 0 "[ . 1 . 2]" 6
163 1 41 TYR HB2 1 47 LEU HB2 3.650 . 4.500 2.736 2.515 2.924 . 0 0 "[ . 1 . 2]" 6
164 1 41 TYR HA 1 47 LEU HB2 3.650 . 5.500 5.424 5.303 5.515 0.015 11 0 "[ . 1 . 2]" 6
165 1 41 TYR QD 1 47 LEU HB2 3.650 . 5.500 3.271 3.056 3.618 . 0 0 "[ . 1 . 2]" 6
166 1 41 TYR QD 1 47 LEU HB3 3.650 . 5.500 4.740 4.587 4.932 . 0 0 "[ . 1 . 2]" 6
167 1 47 LEU HG 1 48 CYS H 3.650 . 5.500 3.506 3.377 3.646 . 0 0 "[ . 1 . 2]" 6
168 1 47 LEU H 1 47 LEU HG 3.650 . 5.500 4.428 4.389 4.467 . 0 0 "[ . 1 . 2]" 6
169 1 47 LEU MD1 1 61 LEU H 3.650 . 5.500 4.239 3.925 4.545 . 0 0 "[ . 1 . 2]" 6
170 1 36 SER H 1 47 LEU MD2 3.650 . 5.500 4.853 4.520 5.151 . 0 0 "[ . 1 . 2]" 6
171 1 47 LEU MD2 1 61 LEU H 3.650 . 5.500 3.778 3.563 3.934 . 0 0 "[ . 1 . 2]" 6
172 1 47 LEU H 1 47 LEU MD2 3.650 . 5.500 4.202 4.173 4.238 . 0 0 "[ . 1 . 2]" 6
173 1 35 GLY HA3 1 47 LEU MD2 3.650 . 5.500 4.088 3.839 4.475 . 0 0 "[ . 1 . 2]" 6
174 1 47 LEU MD2 1 48 CYS HA 3.650 . 5.500 4.816 4.671 4.976 . 0 0 "[ . 1 . 2]" 6
175 1 47 LEU MD2 1 51 SER HB2 3.650 . 5.500 4.791 4.400 5.354 . 0 0 "[ . 1 . 2]" 6
176 1 47 LEU MD2 1 60 PHE HB3 3.650 . 5.500 3.748 3.579 4.002 . 0 0 "[ . 1 . 2]" 6
177 1 11 VAL MG2 1 48 CYS HB2 3.650 . 5.500 3.729 2.120 5.322 . 0 0 "[ . 1 . 2]" 6
178 1 47 LEU HG 1 48 CYS HB2 3.650 . 5.500 4.567 4.349 4.835 . 0 0 "[ . 1 . 2]" 6
179 1 13 CYS HA 1 48 CYS HB2 3.650 . 5.500 2.712 2.412 2.931 . 0 0 "[ . 1 . 2]" 6
180 1 16 TYR QE 1 48 CYS HB2 3.650 . 5.500 4.377 3.793 4.943 . 0 0 "[ . 1 . 2]" 6
181 1 16 TYR QD 1 48 CYS HB2 3.650 . 5.500 3.187 2.779 3.874 . 0 0 "[ . 1 . 2]" 6
182 1 49 THR HA 1 52 LEU H 3.650 . 5.500 3.747 3.535 3.876 . 0 0 "[ . 1 . 2]" 6
183 1 24 ILE MD 1 49 THR MG 3.650 . 4.500 2.353 1.879 2.965 . 0 0 "[ . 1 . 2]" 6
184 1 49 THR MG 1 50 GLU HA 3.650 . 5.500 3.853 3.379 5.412 . 0 0 "[ . 1 . 2]" 6
185 1 50 GLU HA 1 51 SER H 3.650 . 5.500 3.504 3.479 3.519 . 0 0 "[ . 1 . 2]" 6
186 1 50 GLU HB3 1 58 VAL MG2 3.650 . 5.500 3.940 3.602 4.289 . 0 0 "[ . 1 . 2]" 6
187 1 50 GLU HG3 1 58 VAL MG2 3.650 . 5.500 4.483 3.944 5.541 0.041 1 0 "[ . 1 . 2]" 6
188 1 50 GLU HG3 1 58 VAL MG1 3.650 . 5.500 2.985 2.008 3.964 . 0 0 "[ . 1 . 2]" 6
189 1 50 GLU HG2 1 58 VAL MG1 3.650 . 4.500 3.437 2.416 4.534 0.034 13 0 "[ . 1 . 2]" 6
190 1 50 GLU HG2 1 58 VAL MG2 3.650 . 5.500 4.564 3.533 5.532 0.032 20 0 "[ . 1 . 2]" 6
191 1 51 SER HB2 1 58 VAL MG2 3.650 . 5.500 4.308 4.076 5.508 0.008 2 0 "[ . 1 . 2]" 6
192 1 51 SER HB3 1 52 LEU HB2 3.650 . 5.500 4.823 4.632 5.528 0.028 2 0 "[ . 1 . 2]" 6
193 1 51 SER HB2 1 58 VAL HB 4.150 . 6.500 5.986 5.468 6.648 0.148 2 0 "[ . 1 . 2]" 6
194 1 47 LEU MD1 1 51 SER HB2 3.650 . 5.500 3.396 3.147 4.244 . 0 0 "[ . 1 . 2]" 6
195 1 50 GLU H 1 51 SER HB2 3.650 . 5.500 4.678 4.280 4.794 . 0 0 "[ . 1 . 2]" 6
196 1 51 SER HB3 1 53 LYS H 3.650 . 5.500 4.936 4.662 5.503 0.003 2 0 "[ . 1 . 2]" 6
197 1 49 THR H 1 51 SER HB2 3.650 . 5.500 5.349 4.633 5.519 0.019 14 0 "[ . 1 . 2]" 6
198 1 49 THR HA 1 52 LEU HB3 3.650 . 5.500 4.963 4.660 5.274 . 0 0 "[ . 1 . 2]" 6
199 1 49 THR HA 1 52 LEU HB2 3.650 . 5.500 3.306 3.027 3.574 . 0 0 "[ . 1 . 2]" 6
200 1 16 TYR HB2 1 52 LEU MD1 3.650 . 4.500 3.694 3.099 4.241 . 0 0 "[ . 1 . 2]" 6
201 1 49 THR HA 1 52 LEU MD1 3.650 . 5.500 3.147 2.728 3.621 . 0 0 "[ . 1 . 2]" 6
202 1 52 LEU H 1 52 LEU MD2 3.650 . 5.500 3.291 3.148 3.430 . 0 0 "[ . 1 . 2]" 6
203 1 14 SER HA 1 52 LEU MD2 3.650 . 5.500 4.925 4.190 5.262 . 0 0 "[ . 1 . 2]" 6
204 1 13 CYS HB3 1 52 LEU MD2 3.650 . 5.500 3.846 3.550 4.327 . 0 0 "[ . 1 . 2]" 6
205 1 38 TYR HB2 1 61 LEU MD2 3.650 . 5.500 5.106 3.986 5.389 . 0 0 "[ . 1 . 2]" 6
206 1 13 CYS HB2 1 52 LEU MD2 3.650 . 5.500 4.624 4.362 4.975 . 0 0 "[ . 1 . 2]" 6
207 1 21 VAL MG1 1 53 LYS HA 3.650 . 5.500 2.966 2.171 4.773 . 0 0 "[ . 1 . 2]" 6
208 1 53 LYS QB 1 53 LYS QE 3.650 . 5.500 2.888 1.877 3.837 . 0 0 "[ . 1 . 2]" 6
209 1 21 VAL MG2 1 53 LYS QB 3.650 . 5.500 4.843 3.729 5.564 0.064 9 0 "[ . 1 . 2]" 6
210 1 53 LYS QE 1 53 LYS HG3 3.650 . 5.500 2.727 2.312 3.492 . 0 0 "[ . 1 . 2]" 6
211 1 53 LYS HA 1 53 LYS HG3 3.150 . 4.500 2.927 2.526 3.870 . 0 0 "[ . 1 . 2]" 6
212 1 53 LYS HG3 1 54 SER H 3.650 . 5.500 4.642 4.257 4.954 . 0 0 "[ . 1 . 2]" 6
213 1 53 LYS HA 1 53 LYS QD 3.650 . 5.500 3.931 2.178 4.242 . 0 0 "[ . 1 . 2]" 6
214 1 57 ARG HA 1 57 ARG HD2 3.650 . 5.500 4.320 2.203 4.833 . 0 0 "[ . 1 . 2]" 6
215 1 35 GLY HA2 1 58 VAL HA 3.650 . 5.500 5.340 4.835 5.575 0.075 5 0 "[ . 1 . 2]" 6
216 1 36 SER HB3 1 58 VAL HA 3.650 . 5.500 4.288 3.732 4.928 . 0 0 "[ . 1 . 2]" 6
217 1 37 ASP HB2 1 58 VAL HB 3.650 . 5.500 2.403 2.083 3.058 . 0 0 "[ . 1 . 2]" 6
218 1 54 SER HB3 1 58 VAL MG1 3.650 . 5.500 3.732 3.082 4.671 . 0 0 "[ . 1 . 2]" 6
219 1 37 ASP HB3 1 58 VAL MG1 3.650 . 5.500 4.218 3.771 4.553 . 0 0 "[ . 1 . 2]" 6
220 1 50 GLU HB2 1 58 VAL MG2 3.650 . 5.500 4.627 3.685 5.514 0.014 9 0 "[ . 1 . 2]" 6
221 1 35 GLY HA3 1 58 VAL MG2 3.650 . 5.500 2.210 1.937 2.425 . 0 0 "[ . 1 . 2]" 6
222 1 41 TYR QD 1 58 VAL MG2 3.650 . 5.500 4.090 3.694 4.483 . 0 0 "[ . 1 . 2]" 6
223 1 59 GLN HB3 1 59 GLN HE22 3.650 . 5.500 4.554 3.932 5.156 . 0 0 "[ . 1 . 2]" 6
224 1 47 LEU HB3 1 60 PHE HA 4.150 . 6.500 5.787 5.519 6.031 . 0 0 "[ . 1 . 2]" 6
225 1 11 VAL MG1 1 60 PHE HB3 3.650 . 5.500 3.221 2.774 4.292 . 0 0 "[ . 1 . 2]" 6
226 1 36 SER HB3 1 61 LEU HB2 3.650 . 5.500 3.726 2.970 4.252 . 0 0 "[ . 1 . 2]" 6
227 1 60 PHE HA 1 61 LEU HB2 3.650 . 5.500 4.503 4.375 4.596 . 0 0 "[ . 1 . 2]" 6
228 1 60 PHE HA 1 61 LEU HB3 3.650 . 5.500 4.595 4.439 4.659 . 0 0 "[ . 1 . 2]" 6
229 1 35 GLY HA2 1 61 LEU HB3 3.650 . 5.500 3.683 3.537 3.830 . 0 0 "[ . 1 . 2]" 6
230 1 61 LEU HB3 1 62 HIS HD2 3.650 . 5.500 3.334 3.011 3.497 . 0 0 "[ . 1 . 2]" 6
231 1 36 SER H 1 61 LEU HB2 3.650 . 5.500 2.979 2.791 3.168 . 0 0 "[ . 1 . 2]" 6
232 1 36 SER HA 1 61 LEU MD1 3.650 . 4.500 2.198 1.969 2.500 . 0 0 "[ . 1 . 2]" 6
233 1 36 SER HB3 1 61 LEU MD1 3.650 . 5.500 3.101 2.503 3.677 . 0 0 "[ . 1 . 2]" 6
234 1 38 TYR HA 1 61 LEU MD1 3.650 . 5.500 5.512 5.421 5.546 0.046 3 0 "[ . 1 . 2]" 6
235 1 61 LEU HA 1 61 LEU MD1 3.650 . 5.500 2.132 2.091 2.189 . 0 0 "[ . 1 . 2]" 6
236 1 38 TYR QE 1 61 LEU MD1 3.650 . 5.500 4.071 3.461 4.903 . 0 0 "[ . 1 . 2]" 6
237 1 61 LEU H 1 61 LEU MD1 3.650 . 5.500 4.208 4.156 4.275 . 0 0 "[ . 1 . 2]" 6
238 1 61 LEU HG 1 62 HIS HB2 3.650 . 5.500 4.924 4.810 5.054 . 0 0 "[ . 1 . 2]" 6
239 1 61 LEU HG 1 62 HIS HB3 3.650 . 5.500 3.378 3.236 3.541 . 0 0 "[ . 1 . 2]" 6
240 1 60 PHE QE 1 63 ASP HB2 3.650 . 5.500 3.872 2.857 4.982 . 0 0 "[ . 1 . 2]" 6
241 1 33 VAL HA 1 64 GLY HA3 3.650 . 5.500 4.699 4.544 4.794 . 0 0 "[ . 1 . 2]" 6
242 1 63 ASP HA 1 64 GLY HA2 3.650 . 5.500 4.502 4.442 4.559 . 0 0 "[ . 1 . 2]" 6
243 1 40 THR MG 1 65 SER HB3 3.650 . 5.500 2.651 2.314 2.859 . 0 0 "[ . 1 . 2]" 6
244 1 6 LEU HA 1 6 LEU MD2 3.650 . 4.500 2.997 2.023 4.116 . 0 0 "[ . 1 . 2]" 6
245 1 7 SER H 1 8 PRO HD3 3.650 . 5.500 4.317 2.917 5.099 . 0 0 "[ . 1 . 2]" 6
246 1 10 LYS HA 1 60 PHE QD 3.650 . 5.500 3.064 2.054 5.176 . 0 0 "[ . 1 . 2]" 6
247 1 17 LYS QE 1 52 LEU MD1 3.650 . 5.500 3.977 3.286 4.572 . 0 0 "[ . 1 . 2]" 6
248 1 17 LYS HB3 1 17 LYS QE 3.650 . 5.500 3.124 1.974 4.226 . 0 0 "[ . 1 . 2]" 6
249 1 11 VAL MG2 1 47 LEU HG 3.650 . 5.500 4.052 2.332 5.522 0.022 12 0 "[ . 1 . 2]" 6
250 1 11 VAL MG2 1 60 PHE HB3 3.650 . 5.500 5.027 2.784 5.508 0.008 13 0 "[ . 1 . 2]" 6
251 1 10 LYS HA 1 11 VAL MG1 3.650 . 5.500 4.035 3.591 4.447 . 0 0 "[ . 1 . 2]" 6
252 1 13 CYS HB2 1 16 TYR QD 3.650 . 5.500 4.628 4.213 4.880 . 0 0 "[ . 1 . 2]" 6
253 1 13 CYS HB3 1 51 SER HB2 4.150 . 6.500 5.995 5.296 6.401 . 0 0 "[ . 1 . 2]" 6
254 1 13 CYS HB3 1 48 CYS HA 3.650 . 5.500 4.630 4.346 4.953 . 0 0 "[ . 1 . 2]" 6
255 1 13 CYS HB2 1 48 CYS HA 3.650 . 5.500 3.407 3.057 3.740 . 0 0 "[ . 1 . 2]" 6
256 1 13 CYS HB3 1 51 SER HB3 3.650 . 5.500 4.959 4.294 5.344 . 0 0 "[ . 1 . 2]" 6
257 1 13 CYS HB3 1 52 LEU HG 3.650 . 5.500 5.019 4.521 5.485 . 0 0 "[ . 1 . 2]" 6
258 1 15 ILE MG 1 16 TYR QE 3.650 . 5.500 5.186 5.061 5.397 . 0 0 "[ . 1 . 2]" 6
259 1 16 TYR HB3 1 19 TYR QD 3.650 . 5.500 3.022 2.599 3.714 . 0 0 "[ . 1 . 2]" 6
260 1 18 LYS HA 1 18 LYS HG2 3.650 . 5.500 2.992 2.503 3.814 . 0 0 "[ . 1 . 2]" 6
261 1 19 TYR HB2 1 24 ILE MG 3.650 . 5.500 2.661 2.415 3.060 . 0 0 "[ . 1 . 2]" 6
262 1 29 THR MG 1 30 TYR HB3 3.650 . 5.500 4.393 3.913 4.815 . 0 0 "[ . 1 . 2]" 6
263 1 20 PRO HB3 1 23 ALA MB 3.650 . 5.500 4.402 3.921 4.710 . 0 0 "[ . 1 . 2]" 6
264 1 20 PRO HB2 1 22 VAL MG2 3.650 . 5.500 4.005 2.235 5.343 . 0 0 "[ . 1 . 2]" 6
265 1 20 PRO HB2 1 20 PRO HD3 3.650 . 5.500 3.888 3.852 3.919 . 0 0 "[ . 1 . 2]" 6
266 1 20 PRO HD2 1 23 ALA MB 3.650 . 5.500 3.780 2.989 4.211 . 0 0 "[ . 1 . 2]" 6
267 1 20 PRO HD3 1 23 ALA MB 3.650 . 5.500 4.655 4.117 4.971 . 0 0 "[ . 1 . 2]" 6
268 1 19 TYR HB2 1 20 PRO HD3 3.650 . 5.500 4.841 4.701 4.930 . 0 0 "[ . 1 . 2]" 6
269 1 21 VAL MG1 1 49 THR HA 3.650 . 5.500 4.040 2.976 5.450 . 0 0 "[ . 1 . 2]" 6
270 1 21 VAL MG1 1 53 LYS HG3 4.150 . 6.500 3.971 2.234 5.559 . 0 0 "[ . 1 . 2]" 6
271 1 21 VAL MG2 1 52 LEU HB2 3.650 . 5.500 3.408 2.075 4.865 . 0 0 "[ . 1 . 2]" 6
272 1 20 PRO HG3 1 23 ALA MB 3.650 . 5.500 3.163 2.944 3.464 . 0 0 "[ . 1 . 2]" 6
273 1 16 TYR HB3 1 24 ILE MD 3.650 . 5.500 2.348 1.947 2.940 . 0 0 "[ . 1 . 2]" 6
274 1 25 PRO HA 1 25 PRO HD2 3.650 . 5.500 3.989 3.907 4.093 . 0 0 "[ . 1 . 2]" 6
275 1 34 CYS HA 1 40 THR HA 3.650 . 5.500 2.389 2.288 2.545 . 0 0 "[ . 1 . 2]" 6
276 1 27 PRO HB2 1 27 PRO HD3 3.650 . 5.500 3.910 3.879 3.951 . 0 0 "[ . 1 . 2]" 6
277 1 27 PRO HA 1 28 ILE MG 3.650 . 5.500 3.675 3.524 3.819 . 0 0 "[ . 1 . 2]" 6
278 1 29 THR HA 1 30 TYR HB3 3.650 . 5.500 4.604 4.407 4.804 . 0 0 "[ . 1 . 2]" 6
279 1 29 THR H 1 29 THR MG 3.650 . 5.500 3.700 3.604 3.781 . 0 0 "[ . 1 . 2]" 6
280 1 32 PRO HA 1 40 THR MG 3.650 . 5.500 3.184 2.862 3.427 . 0 0 "[ . 1 . 2]" 6
281 1 33 VAL MG1 1 44 GLU HA 3.650 . 5.500 3.305 3.063 3.683 . 0 0 "[ . 1 . 2]" 6
282 1 33 VAL MG2 1 42 GLY HA2 3.650 . 5.500 4.854 4.631 5.007 . 0 0 "[ . 1 . 2]" 6
283 1 34 CYS HB3 1 40 THR HA 3.650 . 5.500 5.086 4.967 5.213 . 0 0 "[ . 1 . 2]" 6
284 1 34 CYS HB3 1 66 CYS HB3 3.650 . 5.500 5.039 4.902 5.120 . 0 0 "[ . 1 . 2]" 6
285 1 35 GLY HA3 1 47 LEU MD1 3.650 . 4.500 2.591 2.469 2.741 . 0 0 "[ . 1 . 2]" 6
286 1 37 ASP HB3 1 58 VAL MG2 3.650 . 5.500 2.623 2.273 2.868 . 0 0 "[ . 1 . 2]" 6
287 1 37 ASP HA 1 39 ILE MD 3.650 . 5.500 5.407 5.328 5.529 0.029 11 0 "[ . 1 . 2]" 6
288 1 37 ASP HB2 1 39 ILE MD 3.650 . 5.500 5.441 5.320 5.526 0.026 19 0 "[ . 1 . 2]" 6
289 1 37 ASP HB3 1 39 ILE MD 3.650 . 5.500 4.203 3.962 4.414 . 0 0 "[ . 1 . 2]" 6
290 1 31 LEU MD1 1 33 VAL MG1 3.650 . 5.500 4.223 3.967 4.725 . 0 0 "[ . 1 . 2]" 6
291 1 11 VAL MG2 1 44 GLU HG3 3.650 . 5.500 3.621 2.378 5.527 0.027 16 0 "[ . 1 . 2]" 6
292 1 11 VAL MG2 1 44 GLU HG2 3.650 . 5.500 3.233 2.023 4.895 . 0 0 "[ . 1 . 2]" 6
293 1 44 GLU H 1 44 GLU HG2 3.650 . 5.500 3.219 1.809 3.592 . 0 0 "[ . 1 . 2]" 6
294 1 44 GLU HG3 1 45 CYS HA 4.150 . 6.500 5.512 3.697 6.414 . 0 0 "[ . 1 . 2]" 6
295 1 44 GLU HB2 1 45 CYS HA 3.650 . 5.500 4.367 3.688 4.847 . 0 0 "[ . 1 . 2]" 6
296 1 24 ILE MG 1 45 CYS HA 3.650 . 5.500 3.878 3.212 4.463 . 0 0 "[ . 1 . 2]" 6
297 1 46 HIS HA 1 49 THR MG 3.650 . 5.500 3.923 3.221 4.243 . 0 0 "[ . 1 . 2]" 6
298 1 33 VAL MG2 1 46 HIS HB3 4.150 . 6.500 5.649 5.465 5.765 . 0 0 "[ . 1 . 2]" 6
299 1 46 HIS HB3 1 47 LEU HB3 4.150 . 6.500 5.964 5.821 6.050 . 0 0 "[ . 1 . 2]" 6
300 1 33 VAL HB 1 47 LEU MD2 3.650 . 5.500 2.730 2.381 3.123 . 0 0 "[ . 1 . 2]" 6
301 1 41 TYR HB2 1 47 LEU MD1 3.650 . 5.500 3.686 3.185 4.028 . 0 0 "[ . 1 . 2]" 6
302 1 47 LEU MD1 1 60 PHE HB3 3.650 . 5.500 5.258 4.949 5.489 . 0 0 "[ . 1 . 2]" 6
303 1 11 VAL HB 1 47 LEU MD2 3.650 . 5.500 2.810 1.981 3.683 . 0 0 "[ . 1 . 2]" 6
304 1 47 LEU MD2 1 60 PHE QE 3.650 . 5.500 3.766 3.485 4.552 . 0 0 "[ . 1 . 2]" 6
305 1 34 CYS H 1 47 LEU MD2 3.650 . 5.500 4.214 3.964 4.737 . 0 0 "[ . 1 . 2]" 6
306 1 48 CYS HB2 1 52 LEU MD1 3.650 . 5.500 5.070 4.803 5.240 . 0 0 "[ . 1 . 2]" 6
307 1 48 CYS HB3 1 52 LEU MD1 3.650 . 5.500 4.626 4.242 4.901 . 0 0 "[ . 1 . 2]" 6
308 1 50 GLU HB3 1 58 VAL MG1 3.650 . 5.500 2.392 1.945 2.728 . 0 0 "[ . 1 . 2]" 6
309 1 51 SER HB3 1 52 LEU MD1 3.650 . 5.500 4.783 4.525 5.504 0.004 2 0 "[ . 1 . 2]" 6
310 1 21 VAL HA 1 52 LEU MD1 3.650 . 5.500 3.066 2.488 3.628 . 0 0 "[ . 1 . 2]" 6
311 1 53 LYS HA 1 53 LYS QE 3.650 . 5.500 4.536 3.888 5.106 . 0 0 "[ . 1 . 2]" 6
312 1 54 SER HA 1 57 ARG HB3 3.650 . 5.500 4.412 3.975 4.943 . 0 0 "[ . 1 . 2]" 6
313 1 54 SER HA 1 57 ARG HB2 3.650 . 5.500 4.469 4.117 5.040 . 0 0 "[ . 1 . 2]" 6
314 1 21 VAL HA 1 24 ILE HB 4.150 . 6.500 5.363 4.737 6.376 . 0 0 "[ . 1 . 2]" 6
315 1 54 SER HB2 1 57 ARG H 3.650 . 5.500 3.169 2.512 3.641 . 0 0 "[ . 1 . 2]" 6
316 1 56 GLY HA2 1 59 GLN HA 3.650 . 5.500 4.941 3.991 5.491 . 0 0 "[ . 1 . 2]" 6
317 1 59 GLN HA 1 60 PHE HB3 3.650 . 5.500 4.982 4.768 5.176 . 0 0 "[ . 1 . 2]" 6
318 1 59 GLN HB3 1 59 GLN HE21 3.650 . 5.500 3.971 2.830 4.443 . 0 0 "[ . 1 . 2]" 6
319 1 59 GLN HB3 1 60 PHE H 3.650 . 5.500 2.481 1.993 3.316 . 0 0 "[ . 1 . 2]" 6
320 1 61 LEU MD2 1 62 HIS HA 3.650 . 5.500 5.523 5.467 5.543 0.043 14 0 "[ . 1 . 2]" 6
321 1 32 PRO HB2 1 65 SER HB3 3.650 . 5.500 4.630 4.320 5.188 . 0 0 "[ . 1 . 2]" 6
322 1 32 PRO HB2 1 65 SER HB2 3.650 . 5.500 4.487 4.222 4.943 . 0 0 "[ . 1 . 2]" 6
323 1 15 ILE MD 1 16 TYR QD 3.650 . 5.500 3.697 3.500 3.901 . 0 0 "[ . 1 . 2]" 6
324 1 19 TYR HB2 1 24 ILE MD 3.650 . 5.500 3.322 3.014 3.709 . 0 0 "[ . 1 . 2]" 6
325 1 29 THR HB 1 31 LEU MD2 3.650 . 5.500 4.102 3.272 4.635 . 0 0 "[ . 1 . 2]" 6
326 1 20 PRO HB3 1 23 ALA H 3.650 . 5.500 4.444 4.234 4.627 . 0 0 "[ . 1 . 2]" 6
327 1 13 CYS HB2 1 52 LEU HG 3.650 . 5.500 5.146 4.774 5.514 0.014 16 0 "[ . 1 . 2]" 6
328 1 11 VAL MG1 1 47 LEU MD2 3.650 . 5.500 2.218 1.977 2.918 . 0 0 "[ . 1 . 2]" 6
329 1 38 TYR QD 1 66 CYS HB2 3.650 . 5.500 4.564 3.725 5.343 . 0 0 "[ . 1 . 2]" 6
330 1 33 VAL HA 1 64 GLY HA2 3.650 . 5.500 4.035 3.905 4.185 . 0 0 "[ . 1 . 2]" 6
331 1 3 ALA HA 1 3 ALA MB 2.300 . 2.800 2.143 2.119 2.157 . 0 0 "[ . 1 . 2]" 6
332 1 6 LEU HA 1 6 LEU QB 2.650 . 3.500 2.360 2.164 2.466 . 0 0 "[ . 1 . 2]" 6
333 1 8 PRO HA 1 8 PRO HB3 2.300 . 2.800 2.299 2.226 2.368 . 0 0 "[ . 1 . 2]" 6
334 1 8 PRO HD2 1 8 PRO QG 2.650 . 2.800 2.211 2.161 2.264 . 0 0 "[ . 1 . 2]" 6
335 1 8 PRO HA 1 8 PRO QG 3.150 . 4.500 3.342 2.961 3.551 . 0 0 "[ . 1 . 2]" 6
336 1 8 PRO HD3 1 8 PRO QG 2.650 . 2.800 2.194 2.161 2.246 . 0 0 "[ . 1 . 2]" 6
337 1 7 SER HA 1 8 PRO HD3 2.300 . 2.800 2.179 1.953 2.657 . 0 0 "[ . 1 . 2]" 6
338 1 9 LYS HA 1 9 LYS HG3 3.150 . 4.500 2.954 2.453 3.820 . 0 0 "[ . 1 . 2]" 6
339 1 9 LYS HA 1 9 LYS HG2 3.150 . 4.500 3.116 2.392 3.817 . 0 0 "[ . 1 . 2]" 6
340 1 9 LYS HA 1 9 LYS QD 3.150 . 4.500 3.768 2.061 4.306 . 0 0 "[ . 1 . 2]" 6
341 1 9 LYS QB 1 9 LYS HG3 2.650 . 3.500 2.333 2.146 2.428 . 0 0 "[ . 1 . 2]" 6
342 1 9 LYS HA 1 9 LYS QB 2.650 . 2.800 2.347 2.160 2.458 . 0 0 "[ . 1 . 2]" 6
343 1 9 LYS HE2 1 9 LYS HG3 3.150 . 4.500 2.978 2.427 4.248 . 0 0 "[ . 1 . 2]" 6
344 1 34 CYS HB3 1 66 CYS HA 2.650 . 3.500 3.550 3.489 3.615 0.115 11 0 "[ . 1 . 2]" 6
345 1 66 CYS HA 1 66 CYS HB3 2.300 . 2.800 2.429 2.384 2.465 . 0 0 "[ . 1 . 2]" 6
346 1 10 LYS H 1 10 LYS HB3 3.150 . 4.500 3.298 2.402 3.853 . 0 0 "[ . 1 . 2]" 6
347 1 10 LYS H 1 10 LYS HB2 3.150 . 4.500 3.108 2.323 4.032 . 0 0 "[ . 1 . 2]" 6
348 1 10 LYS HA 1 10 LYS HB2 2.650 . 3.500 2.709 2.390 3.045 . 0 0 "[ . 1 . 2]" 6
349 1 10 LYS HA 1 10 LYS HB3 2.650 . 3.500 2.614 2.389 3.044 . 0 0 "[ . 1 . 2]" 6
350 1 11 VAL HA 1 11 VAL HB 2.650 . 3.500 2.501 2.434 2.581 . 0 0 "[ . 1 . 2]" 6
351 1 11 VAL HA 1 11 VAL MG2 3.150 . 4.500 2.412 2.250 3.230 . 0 0 "[ . 1 . 2]" 6
352 1 11 VAL HA 1 11 VAL MG1 3.150 . 4.500 3.202 2.344 3.263 . 0 0 "[ . 1 . 2]" 6
353 1 41 TYR HB3 1 41 TYR QD 3.150 . 4.500 2.416 2.346 2.468 . 0 0 "[ . 1 . 2]" 6
354 1 12 ASP HA 1 12 ASP HB2 2.650 . 3.500 2.514 2.425 2.574 . 0 0 "[ . 1 . 2]" 6
355 1 12 ASP HA 1 12 ASP HB3 2.650 . 3.500 3.025 3.010 3.037 . 0 0 "[ . 1 . 2]" 6
356 1 13 CYS HB2 1 48 CYS HB2 2.650 . 3.500 3.089 2.909 3.204 . 0 0 "[ . 1 . 2]" 6
357 1 51 SER HA 1 51 SER HB2 2.650 . 2.800 2.563 2.517 2.891 0.091 2 0 "[ . 1 . 2]" 6
358 1 51 SER HA 1 58 VAL HB 3.650 . 5.500 4.751 4.470 5.054 . 0 0 "[ . 1 . 2]" 6
359 1 15 ILE HA 1 15 ILE MG 2.650 . 3.500 2.304 2.263 2.353 . 0 0 "[ . 1 . 2]" 6
360 1 15 ILE HB 1 15 ILE HG12 2.650 . 3.500 3.032 3.021 3.038 . 0 0 "[ . 1 . 2]" 6
361 1 15 ILE HB 1 15 ILE MG 2.300 . 2.800 2.121 2.109 2.134 . 0 0 "[ . 1 . 2]" 6
362 1 15 ILE HB 1 15 ILE HG13 2.650 . 3.500 2.477 2.454 2.514 . 0 0 "[ . 1 . 2]" 6
363 1 15 ILE HA 1 15 ILE HB 2.300 . 2.800 2.490 2.456 2.534 . 0 0 "[ . 1 . 2]" 6
364 1 15 ILE HG13 1 15 ILE MG 2.650 . 3.500 3.212 3.200 3.224 . 0 0 "[ . 1 . 2]" 6
365 1 15 ILE H 1 15 ILE MG 3.150 . 4.500 2.362 2.248 2.538 . 0 0 "[ . 1 . 2]" 6
366 1 15 ILE HB 1 15 ILE MD 3.150 . 4.500 2.449 2.366 2.507 . 0 0 "[ . 1 . 2]" 6
367 1 15 ILE MD 1 15 ILE HG13 2.300 . 2.800 2.123 2.118 2.128 . 0 0 "[ . 1 . 2]" 6
368 1 50 GLU HA 1 53 LYS QB 3.150 . 4.500 2.345 2.050 3.106 . 0 0 "[ . 1 . 2]" 6
369 1 17 LYS HA 1 17 LYS HG2 2.650 . 3.500 2.677 2.464 3.187 . 0 0 "[ . 1 . 2]" 6
370 1 50 GLU HA 1 50 GLU HG3 3.150 . 4.500 3.139 2.490 3.716 . 0 0 "[ . 1 . 2]" 6
371 1 17 LYS HA 1 17 LYS HB2 2.650 . 3.500 2.943 2.482 3.036 . 0 0 "[ . 1 . 2]" 6
372 1 14 SER HA 1 17 LYS HG3 3.150 . 4.500 2.888 1.995 4.543 0.043 1 0 "[ . 1 . 2]" 6
373 1 17 LYS HA 1 17 LYS HG3 3.150 . 4.500 3.088 2.464 3.865 . 0 0 "[ . 1 . 2]" 6
374 1 14 SER HA 1 17 LYS HG2 3.150 . 4.500 3.880 2.062 4.494 . 0 0 "[ . 1 . 2]" 6
375 1 17 LYS HB3 1 17 LYS HG2 2.650 . 3.500 2.527 2.392 3.018 . 0 0 "[ . 1 . 2]" 6
376 1 17 LYS QD 1 17 LYS HG2 2.650 . 3.500 2.319 2.169 2.395 . 0 0 "[ . 1 . 2]" 6
377 1 17 LYS HB3 1 17 LYS HG3 2.650 . 3.500 2.932 2.456 3.030 . 0 0 "[ . 1 . 2]" 6
378 1 17 LYS QD 1 17 LYS HG3 2.650 . 3.500 2.303 2.176 2.394 . 0 0 "[ . 1 . 2]" 6
379 1 18 LYS QE 1 18 LYS HG3 3.150 . 4.500 2.838 2.350 3.522 . 0 0 "[ . 1 . 2]" 6
380 1 19 TYR HA 1 19 TYR HB2 2.650 . 3.500 3.032 3.009 3.044 . 0 0 "[ . 1 . 2]" 6
381 1 19 TYR HB2 1 20 PRO HD2 3.150 . 4.500 3.649 3.499 3.779 . 0 0 "[ . 1 . 2]" 6
382 1 38 TYR HA 1 66 CYS HB3 2.650 . 3.500 3.457 3.236 3.554 0.054 16 0 "[ . 1 . 2]" 6
383 1 19 TYR HB2 1 24 ILE HG12 3.150 . 4.500 2.064 1.957 2.296 . 0 0 "[ . 1 . 2]" 6
384 1 21 VAL HA 1 21 VAL HB 2.650 . 3.500 2.883 2.372 3.041 . 0 0 "[ . 1 . 2]" 6
385 1 21 VAL HA 1 21 VAL MG1 3.150 . 4.500 2.453 2.279 3.244 . 0 0 "[ . 1 . 2]" 6
386 1 21 VAL HA 1 24 ILE MD 3.150 . 4.500 2.343 1.995 3.232 . 0 0 "[ . 1 . 2]" 6
387 1 22 VAL HA 1 22 VAL MG1 2.650 . 3.500 2.789 2.331 3.250 . 0 0 "[ . 1 . 2]" 6
388 1 22 VAL HA 1 22 VAL MG2 3.150 . 4.500 2.800 2.326 3.239 . 0 0 "[ . 1 . 2]" 6
389 1 22 VAL HA 1 22 VAL HB 2.300 . 2.800 2.467 2.433 2.515 . 0 0 "[ . 1 . 2]" 6
390 1 24 ILE HA 1 25 PRO HD3 2.300 . 2.800 2.168 1.923 2.463 . 0 0 "[ . 1 . 2]" 6
391 1 24 ILE HA 1 25 PRO HD2 2.650 . 3.500 2.387 2.025 2.832 . 0 0 "[ . 1 . 2]" 6
392 1 24 ILE HA 1 24 ILE MG 3.150 . 4.500 2.430 2.393 2.473 . 0 0 "[ . 1 . 2]" 6
393 1 24 ILE HA 1 24 ILE HG13 3.150 . 4.500 3.101 3.016 3.171 . 0 0 "[ . 1 . 2]" 6
394 1 24 ILE HA 1 24 ILE HG12 2.650 . 3.500 2.557 2.468 2.626 . 0 0 "[ . 1 . 2]" 6
395 1 19 TYR HB2 1 24 ILE HA 3.150 . 4.500 2.977 2.793 3.201 . 0 0 "[ . 1 . 2]" 6
396 1 44 GLU HA 1 47 LEU HB2 3.150 . 4.500 3.245 2.823 4.030 . 0 0 "[ . 1 . 2]" 6
397 1 24 ILE HB 1 24 ILE MD 3.150 . 4.500 2.473 2.443 2.551 . 0 0 "[ . 1 . 2]" 6
398 1 24 ILE HB 1 24 ILE HG12 2.650 . 3.500 3.034 3.026 3.042 . 0 0 "[ . 1 . 2]" 6
399 1 24 ILE HB 1 24 ILE HG13 2.650 . 3.500 2.456 2.424 2.489 . 0 0 "[ . 1 . 2]" 6
400 1 52 LEU HB2 1 52 LEU HG 2.650 . 3.500 2.449 2.424 2.485 . 0 0 "[ . 1 . 2]" 6
401 1 20 PRO HD2 1 20 PRO HG2 2.650 . 3.500 2.310 2.297 2.328 . 0 0 "[ . 1 . 2]" 6
402 1 21 VAL HA 1 24 ILE HG12 3.150 . 4.500 3.747 3.272 4.519 0.019 19 0 "[ . 1 . 2]" 6
403 1 25 PRO HA 1 25 PRO QB 2.300 . 2.800 2.207 2.167 2.245 . 0 0 "[ . 1 . 2]" 6
404 1 52 LEU H 1 52 LEU HG 2.650 . 3.500 2.313 2.175 2.437 . 0 0 "[ . 1 . 2]" 6
405 1 25 PRO HA 1 25 PRO HG2 3.150 . 4.500 3.960 3.857 4.074 . 0 0 "[ . 1 . 2]" 6
406 1 25 PRO HD3 1 25 PRO HG2 2.650 . 3.500 2.790 2.652 2.983 . 0 0 "[ . 1 . 2]" 6
407 1 49 THR HA 1 52 LEU HG 3.150 . 4.500 3.883 3.475 4.262 . 0 0 "[ . 1 . 2]" 6
408 1 32 PRO HB2 1 32 PRO HD3 3.150 . 4.500 3.947 3.900 4.019 . 0 0 "[ . 1 . 2]" 6
409 1 26 CYS HA 1 27 PRO HD2 2.300 . 2.800 2.215 2.085 2.354 . 0 0 "[ . 1 . 2]" 6
410 1 26 CYS HA 1 27 PRO HD3 2.650 . 2.800 2.446 2.323 2.560 . 0 0 "[ . 1 . 2]" 6
411 1 26 CYS HA 1 26 CYS HB3 2.650 . 3.500 2.521 2.463 2.564 . 0 0 "[ . 1 . 2]" 6
412 1 26 CYS HA 1 26 CYS HB2 2.650 . 3.500 3.019 3.007 3.031 . 0 0 "[ . 1 . 2]" 6
413 1 27 PRO HA 1 27 PRO HB3 2.300 . 2.800 2.294 2.260 2.312 . 0 0 "[ . 1 . 2]" 6
414 1 27 PRO HA 1 27 PRO HB2 2.300 . 2.800 2.755 2.702 2.804 0.004 9 0 "[ . 1 . 2]" 6
415 1 27 PRO HB3 1 27 PRO HD2 3.150 . 4.500 3.896 3.856 3.963 . 0 0 "[ . 1 . 2]" 6
416 1 27 PRO HB3 1 27 PRO HD3 3.150 . 3.500 3.016 2.946 3.200 . 0 0 "[ . 1 . 2]" 6
417 1 27 PRO HD3 1 27 PRO HG2 2.650 . 3.500 2.983 2.961 2.997 . 0 0 "[ . 1 . 2]" 6
418 1 27 PRO HD2 1 27 PRO HG3 2.650 . 3.500 2.693 2.669 2.722 . 0 0 "[ . 1 . 2]" 6
419 1 27 PRO HD2 1 27 PRO HG2 2.650 . 3.500 2.292 2.257 2.315 . 0 0 "[ . 1 . 2]" 6
420 1 19 TYR HA 1 20 PRO HD3 2.300 . 2.800 2.633 2.471 2.815 0.015 19 0 "[ . 1 . 2]" 6
421 1 27 PRO HB2 1 27 PRO HD2 3.150 . 4.500 4.014 3.913 4.052 . 0 0 "[ . 1 . 2]" 6
422 1 26 CYS HB2 1 27 PRO HD3 3.650 . 5.500 4.967 4.851 5.086 . 0 0 "[ . 1 . 2]" 6
423 1 28 ILE HA 1 28 ILE HG13 3.150 . 4.500 3.729 3.648 3.760 . 0 0 "[ . 1 . 2]" 6
424 1 28 ILE HA 1 28 ILE MG 2.650 . 3.500 2.316 2.245 2.359 . 0 0 "[ . 1 . 2]" 6
425 1 28 ILE H 1 28 ILE HB 3.150 . 4.500 3.683 3.663 3.733 . 0 0 "[ . 1 . 2]" 6
426 1 28 ILE HA 1 28 ILE HB 2.300 . 2.800 2.486 2.451 2.547 . 0 0 "[ . 1 . 2]" 6
427 1 28 ILE HB 1 28 ILE MD 3.150 . 4.500 2.445 2.420 2.474 . 0 0 "[ . 1 . 2]" 6
428 1 28 ILE HG12 1 28 ILE MG 2.300 . 2.800 2.387 2.235 2.450 . 0 0 "[ . 1 . 2]" 6
429 1 29 THR H 1 29 THR HA 2.650 . 3.500 2.828 2.766 2.918 . 0 0 "[ . 1 . 2]" 6
430 1 29 THR HA 1 29 THR MG 3.150 . 4.500 2.308 2.252 2.381 . 0 0 "[ . 1 . 2]" 6
431 1 29 THR H 1 29 THR HB 3.150 . 4.500 2.582 2.495 2.728 . 0 0 "[ . 1 . 2]" 6
432 1 29 THR HB 1 30 TYR H 3.150 . 4.500 4.052 3.835 4.194 . 0 0 "[ . 1 . 2]" 6
433 1 30 TYR HB3 1 31 LEU H 3.150 . 4.500 4.245 4.021 4.397 . 0 0 "[ . 1 . 2]" 6
434 1 30 TYR HA 1 30 TYR HB2 2.650 . 3.500 2.501 2.429 2.567 . 0 0 "[ . 1 . 2]" 6
435 1 30 TYR HA 1 30 TYR HB3 2.650 . 3.500 3.028 3.018 3.039 . 0 0 "[ . 1 . 2]" 6
436 1 29 THR HA 1 30 TYR HB2 3.150 . 4.500 4.453 4.283 4.546 0.046 11 0 "[ . 1 . 2]" 6
437 1 31 LEU HA 1 31 LEU HB3 2.650 . 2.800 2.479 2.459 2.498 . 0 0 "[ . 1 . 2]" 6
438 1 31 LEU HB2 1 43 ASN HB2 3.150 . 4.500 2.842 2.498 3.274 . 0 0 "[ . 1 . 2]" 6
439 1 31 LEU HB2 1 31 LEU MD1 3.150 . 4.500 2.291 2.251 2.314 . 0 0 "[ . 1 . 2]" 6
440 1 32 PRO HB3 1 33 VAL H 3.150 . 4.500 3.996 3.819 4.103 . 0 0 "[ . 1 . 2]" 6
441 1 32 PRO HA 1 32 PRO HB3 2.300 . 2.800 2.297 2.282 2.317 . 0 0 "[ . 1 . 2]" 6
442 1 32 PRO HB3 1 64 GLY HA2 3.150 . 4.500 4.246 3.915 4.527 0.027 11 0 "[ . 1 . 2]" 6
443 1 32 PRO HB3 1 40 THR MG 3.150 . 4.500 3.117 2.665 3.565 . 0 0 "[ . 1 . 2]" 6
444 1 32 PRO HD3 1 32 PRO HG2 2.650 . 3.500 2.963 2.777 2.990 . 0 0 "[ . 1 . 2]" 6
445 1 32 PRO HD3 1 32 PRO HG3 . . 2.800 2.300 2.278 2.321 . 0 0 "[ . 1 . 2]" 6
446 1 32 PRO HA 1 32 PRO HD3 3.150 . 4.500 3.513 3.445 3.653 . 0 0 "[ . 1 . 2]" 6
447 1 32 PRO HA 1 32 PRO HD2 3.150 . 4.500 4.063 3.975 4.085 . 0 0 "[ . 1 . 2]" 6
448 1 31 LEU HA 1 32 PRO HD2 2.300 . 2.800 2.030 1.969 2.210 . 0 0 "[ . 1 . 2]" 6
449 1 19 TYR HB2 1 25 PRO HD3 3.150 . 4.500 4.216 3.706 4.518 0.018 19 0 "[ . 1 . 2]" 6
450 1 32 PRO HB2 1 32 PRO HD2 3.150 . 4.500 3.929 3.293 4.023 . 0 0 "[ . 1 . 2]" 6
451 1 33 VAL HB 1 63 ASP HA 3.150 . 4.500 3.588 3.178 3.877 . 0 0 "[ . 1 . 2]" 6
452 1 33 VAL MG1 1 63 ASP HA 3.150 . 4.500 2.867 2.605 3.043 . 0 0 "[ . 1 . 2]" 6
453 1 33 VAL MG2 1 44 GLU HA 3.150 . 4.500 2.466 2.035 3.191 . 0 0 "[ . 1 . 2]" 6
454 1 33 VAL MG2 1 41 TYR HB3 3.150 . 4.500 3.135 3.053 3.213 . 0 0 "[ . 1 . 2]" 6
455 1 33 VAL MG2 1 47 LEU HB2 3.150 . 4.500 2.312 2.139 2.502 . 0 0 "[ . 1 . 2]" 6
456 1 34 CYS H 1 34 CYS HB2 2.650 . 3.500 3.007 2.934 3.100 . 0 0 "[ . 1 . 2]" 6
457 1 34 CYS HB2 1 62 HIS H 3.150 . 4.500 4.514 4.460 4.552 0.052 11 0 "[ . 1 . 2]" 6
458 1 34 CYS HA 1 34 CYS HB3 2.650 . 3.500 3.037 3.023 3.063 . 0 0 "[ . 1 . 2]" 6
459 1 56 GLY HA3 1 57 ARG H 3.150 . 4.500 3.338 2.910 3.525 . 0 0 "[ . 1 . 2]" 6
460 1 34 CYS HA 1 35 GLY HA2 3.150 . 4.500 4.337 4.296 4.407 . 0 0 "[ . 1 . 2]" 6
461 1 36 SER HA 1 36 SER HB3 2.650 . 2.800 2.375 2.345 2.426 . 0 0 "[ . 1 . 2]" 6
462 1 36 SER HA 1 36 SER HB2 2.650 . 3.500 2.843 2.503 3.015 . 0 0 "[ . 1 . 2]" 6
463 1 36 SER HA 1 61 LEU HB2 2.650 . 3.500 2.126 1.947 2.300 . 0 0 "[ . 1 . 2]" 6
464 1 36 SER HA 1 61 LEU MD2 3.150 . 4.500 2.419 2.267 2.586 . 0 0 "[ . 1 . 2]" 6
465 1 36 SER H 1 36 SER HB3 3.150 . 4.500 3.203 2.577 3.539 . 0 0 "[ . 1 . 2]" 6
466 1 37 ASP HA 1 38 TYR H 3.150 . 4.500 3.208 3.122 3.282 . 0 0 "[ . 1 . 2]" 6
467 1 37 ASP HA 1 39 ILE HG12 3.150 . 4.500 4.512 4.481 4.532 0.032 13 0 "[ . 1 . 2]" 6
468 1 37 ASP HA 1 37 ASP HB2 2.650 . 3.500 2.530 2.467 2.584 . 0 0 "[ . 1 . 2]" 6
469 1 38 TYR HA 1 39 ILE H 2.650 . 3.500 2.751 2.561 2.884 . 0 0 "[ . 1 . 2]" 6
470 1 38 TYR HA 1 38 TYR HB2 2.650 . 3.500 3.005 2.722 3.037 . 0 0 "[ . 1 . 2]" 6
471 1 38 TYR HA 1 38 TYR HB3 2.650 . 3.500 2.546 2.454 2.948 . 0 0 "[ . 1 . 2]" 6
472 1 39 ILE HA 1 39 ILE MD 3.150 . 4.500 2.128 2.033 2.185 . 0 0 "[ . 1 . 2]" 6
473 1 39 ILE HA 1 39 ILE HG12 2.650 . 3.500 3.154 3.072 3.226 . 0 0 "[ . 1 . 2]" 6
474 1 39 ILE HA 1 39 ILE HG13 3.150 . 4.500 3.796 3.749 3.836 . 0 0 "[ . 1 . 2]" 6
475 1 57 ARG HA 1 57 ARG HG2 3.150 . 4.500 3.156 2.879 3.901 . 0 0 "[ . 1 . 2]" 6
476 1 57 ARG HA 1 57 ARG HB2 2.300 . 2.800 2.478 2.351 2.641 . 0 0 "[ . 1 . 2]" 6
477 1 57 ARG HA 1 57 ARG HB3 2.650 . 3.500 3.010 2.978 3.031 . 0 0 "[ . 1 . 2]" 6
478 1 39 ILE HA 1 39 ILE MG 3.150 . 4.500 2.431 2.407 2.493 . 0 0 "[ . 1 . 2]" 6
479 1 39 ILE HB 1 39 ILE HG12 2.300 . 2.800 2.444 2.417 2.468 . 0 0 "[ . 1 . 2]" 6
480 1 39 ILE HB 1 39 ILE HG13 2.650 . 3.500 2.456 2.434 2.465 . 0 0 "[ . 1 . 2]" 6
481 1 39 ILE HG13 1 39 ILE MG 3.150 . 4.500 2.348 2.324 2.380 . 0 0 "[ . 1 . 2]" 6
482 1 39 ILE HG12 1 39 ILE MG 3.150 . 4.500 3.208 3.196 3.219 . 0 0 "[ . 1 . 2]" 6
483 1 39 ILE MD 1 39 ILE HG12 2.300 . 2.800 2.119 2.110 2.132 . 0 0 "[ . 1 . 2]" 6
484 1 39 ILE HB 1 39 ILE MD 3.150 . 4.500 3.250 3.238 3.263 . 0 0 "[ . 1 . 2]" 6
485 1 40 THR H 1 40 THR HB 2.650 . 3.500 2.481 2.407 2.543 . 0 0 "[ . 1 . 2]" 6
486 1 40 THR MG 1 65 SER HA 3.150 . 3.500 1.951 1.891 2.028 . 0 0 "[ . 1 . 2]" 6
487 1 5 SER HA 1 5 SER QB 2.300 . 2.800 2.330 2.163 2.413 . 0 0 "[ . 1 . 2]" 6
488 1 41 TYR HA 1 41 TYR HB3 2.650 . 3.500 2.512 2.488 2.549 . 0 0 "[ . 1 . 2]" 6
489 1 41 TYR HB2 1 41 TYR QD 3.150 . 4.500 2.372 2.328 2.452 . 0 0 "[ . 1 . 2]" 6
490 1 41 TYR HB3 1 47 LEU H 3.150 . 4.500 3.226 3.046 3.390 . 0 0 "[ . 1 . 2]" 6
491 1 63 ASP H 1 63 ASP HB3 2.650 . 3.500 2.776 2.373 3.554 0.054 5 0 "[ . 1 . 2]" 6
492 1 32 PRO HA 1 42 GLY HA2 3.150 . 4.500 3.576 3.447 3.824 . 0 0 "[ . 1 . 2]" 6
493 1 31 LEU H 1 43 ASN HB3 3.150 . 4.500 2.159 2.069 2.264 . 0 0 "[ . 1 . 2]" 6
494 1 43 ASN HA 1 43 ASN HB2 2.650 . 3.500 2.483 2.460 2.512 . 0 0 "[ . 1 . 2]" 6
495 1 43 ASN HA 1 43 ASN HB3 2.300 . 2.800 2.447 2.428 2.466 . 0 0 "[ . 1 . 2]" 6
496 1 44 GLU HA 1 47 LEU HB3 2.650 . 3.500 2.353 2.073 2.943 . 0 0 "[ . 1 . 2]" 6
497 1 44 GLU HA 1 44 GLU HB3 2.300 . 2.800 2.361 2.255 2.486 . 0 0 "[ . 1 . 2]" 6
498 1 44 GLU HA 1 44 GLU HG3 3.150 . 4.500 3.734 2.807 4.275 . 0 0 "[ . 1 . 2]" 6
499 1 44 GLU HA 1 44 GLU HG2 3.150 . 4.500 3.682 2.669 4.231 . 0 0 "[ . 1 . 2]" 6
500 1 45 CYS HA 1 45 CYS HB2 2.300 . 2.800 2.416 2.355 2.470 . 0 0 "[ . 1 . 2]" 6
501 1 45 CYS HA 1 48 CYS HB3 3.150 . 4.500 2.682 2.361 2.909 . 0 0 "[ . 1 . 2]" 6
502 1 26 CYS HB3 1 45 CYS HB3 3.150 . 4.500 2.490 2.323 2.683 . 0 0 "[ . 1 . 2]" 6
503 1 26 CYS HB3 1 45 CYS HB2 3.150 . 4.500 3.563 3.314 3.752 . 0 0 "[ . 1 . 2]" 6
504 1 26 CYS HB2 1 45 CYS HB3 3.150 . 4.500 3.973 3.835 4.133 . 0 0 "[ . 1 . 2]" 6
505 1 27 PRO HD2 1 45 CYS HB3 3.150 . 4.500 2.492 2.268 2.840 . 0 0 "[ . 1 . 2]" 6
506 1 27 PRO HD2 1 45 CYS HB2 3.150 . 4.500 2.312 2.015 2.757 . 0 0 "[ . 1 . 2]" 6
507 1 45 CYS HB3 1 46 HIS H 3.150 . 4.500 2.503 2.357 2.676 . 0 0 "[ . 1 . 2]" 6
508 1 45 CYS HB2 1 46 HIS H 3.150 . 4.500 3.857 3.743 3.986 . 0 0 "[ . 1 . 2]" 6
509 1 45 CYS H 1 45 CYS HB3 3.150 . 4.500 2.496 2.358 2.602 . 0 0 "[ . 1 . 2]" 6
510 1 45 CYS H 1 45 CYS HB2 3.150 . 4.500 2.579 2.483 2.701 . 0 0 "[ . 1 . 2]" 6
511 1 46 HIS HA 1 46 HIS HB2 2.650 . 3.500 3.025 3.006 3.036 . 0 0 "[ . 1 . 2]" 6
512 1 46 HIS HA 1 46 HIS HB3 2.650 . 3.500 2.517 2.472 2.569 . 0 0 "[ . 1 . 2]" 6
513 1 41 TYR HB3 1 46 HIS HB2 3.150 . 4.500 2.446 2.152 2.754 . 0 0 "[ . 1 . 2]" 6
514 1 41 TYR HB3 1 46 HIS HB3 3.150 . 3.500 3.347 3.125 3.508 0.008 10 0 "[ . 1 . 2]" 6
515 1 43 ASN H 1 46 HIS HB3 3.150 . 4.500 4.356 4.044 4.521 0.021 3 0 "[ . 1 . 2]" 6
516 1 41 TYR HB2 1 47 LEU HA 3.150 . 4.500 4.045 3.494 4.300 . 0 0 "[ . 1 . 2]" 6
517 1 47 LEU HA 1 47 LEU HB2 2.650 . 3.500 2.426 2.394 2.472 . 0 0 "[ . 1 . 2]" 6
518 1 47 LEU HA 1 47 LEU MD1 3.150 . 4.500 2.219 2.169 2.287 . 0 0 "[ . 1 . 2]" 6
519 1 47 LEU HG 1 48 CYS HA 3.150 . 4.500 3.602 3.478 3.818 . 0 0 "[ . 1 . 2]" 6
520 1 47 LEU HB2 1 47 LEU HG 2.650 . 3.500 3.026 3.017 3.038 . 0 0 "[ . 1 . 2]" 6
521 1 47 LEU MD1 1 60 PHE HA 3.150 . 4.500 3.136 2.838 3.498 . 0 0 "[ . 1 . 2]" 6
522 1 47 LEU MD2 1 60 PHE HA 3.150 . 4.500 2.133 1.923 2.336 . 0 0 "[ . 1 . 2]" 6
523 1 47 LEU MD2 1 60 PHE HB2 3.150 . 4.500 2.375 2.119 2.626 . 0 0 "[ . 1 . 2]" 6
524 1 47 LEU HB2 1 47 LEU MD2 3.150 . 4.500 2.351 2.316 2.397 . 0 0 "[ . 1 . 2]" 6
525 1 48 CYS HA 1 51 SER HB2 2.650 . 3.500 2.823 2.144 3.127 . 0 0 "[ . 1 . 2]" 6
526 1 48 CYS HA 1 48 CYS HB3 2.650 . 3.500 3.021 3.013 3.027 . 0 0 "[ . 1 . 2]" 6
527 1 49 THR HA 1 49 THR MG 3.150 . 4.500 2.354 2.270 2.406 . 0 0 "[ . 1 . 2]" 6
528 1 24 ILE MD 1 49 THR HA 3.150 . 4.500 2.185 1.872 3.081 . 0 0 "[ . 1 . 2]" 6
529 1 49 THR H 1 49 THR HB 3.150 . 4.500 2.774 2.507 3.614 . 0 0 "[ . 1 . 2]" 6
530 1 50 GLU HA 1 50 GLU HB3 2.650 . 3.500 2.801 2.430 3.017 . 0 0 "[ . 1 . 2]" 6
531 1 50 GLU HA 1 50 GLU HG2 3.150 . 4.500 3.464 2.732 3.756 . 0 0 "[ . 1 . 2]" 6
532 1 50 GLU HA 1 53 LYS H 3.150 . 4.500 3.448 3.212 4.005 . 0 0 "[ . 1 . 2]" 6
533 1 50 GLU HA 1 50 GLU HB2 2.650 . 3.500 2.740 2.479 3.011 . 0 0 "[ . 1 . 2]" 6
534 1 50 GLU HB3 1 50 GLU HG3 2.650 . 3.500 2.446 2.334 2.521 . 0 0 "[ . 1 . 2]" 6
535 1 50 GLU HB2 1 50 GLU HG3 2.650 . 3.500 2.797 2.329 3.010 . 0 0 "[ . 1 . 2]" 6
536 1 50 GLU HB2 1 50 GLU HG2 2.650 . 3.500 2.439 2.347 2.499 . 0 0 "[ . 1 . 2]" 6
537 1 48 CYS HA 1 51 SER HB3 2.650 . 3.500 2.490 2.180 3.502 0.002 2 0 "[ . 1 . 2]" 6
538 1 51 SER HB3 1 52 LEU H 3.150 . 4.500 2.551 2.260 3.389 . 0 0 "[ . 1 . 2]" 6
539 1 52 LEU H 1 52 LEU HA 2.650 . 3.500 2.837 2.790 2.860 . 0 0 "[ . 1 . 2]" 6
540 1 52 LEU HA 1 52 LEU MD2 2.650 . 3.500 2.041 1.969 2.104 . 0 0 "[ . 1 . 2]" 6
541 1 52 LEU HB3 1 52 LEU MD1 3.150 . 4.500 2.370 2.339 2.403 . 0 0 "[ . 1 . 2]" 6
542 1 52 LEU HA 1 52 LEU HB3 2.650 . 3.500 2.470 2.450 2.505 . 0 0 "[ . 1 . 2]" 6
543 1 52 LEU HB3 1 53 LYS H 3.150 . 4.500 3.626 3.489 3.791 . 0 0 "[ . 1 . 2]" 6
544 1 52 LEU H 1 52 LEU HB3 3.150 . 4.500 3.594 3.554 3.613 . 0 0 "[ . 1 . 2]" 6
545 1 52 LEU HB2 1 52 LEU MD1 2.650 . 3.500 2.332 2.293 2.381 . 0 0 "[ . 1 . 2]" 6
546 1 61 LEU HA 1 61 LEU MD2 3.150 . 4.500 3.902 3.876 3.923 . 0 0 "[ . 1 . 2]" 6
547 1 52 LEU HB2 1 52 LEU MD2 2.650 . 3.500 3.201 3.194 3.211 . 0 0 "[ . 1 . 2]" 6
548 1 53 LYS HA 1 53 LYS HG2 2.650 . 3.500 2.950 2.500 3.484 . 0 0 "[ . 1 . 2]" 6
549 1 53 LYS H 1 53 LYS QB 2.650 . 3.500 2.227 2.096 2.436 . 0 0 "[ . 1 . 2]" 6
550 1 53 LYS HA 1 53 LYS QB 2.650 . 3.500 2.349 2.255 2.429 . 0 0 "[ . 1 . 2]" 6
551 1 53 LYS QB 1 53 LYS HG2 2.300 . 2.800 2.356 2.282 2.422 . 0 0 "[ . 1 . 2]" 6
552 1 53 LYS QB 1 53 LYS HG3 2.650 . 3.500 2.306 2.142 2.418 . 0 0 "[ . 1 . 2]" 6
553 1 53 LYS H 1 53 LYS QD 3.650 . 5.500 4.179 3.528 4.634 . 0 0 "[ . 1 . 2]" 6
554 1 53 LYS QB 1 53 LYS QD 3.150 . 4.500 2.208 1.984 2.377 . 0 0 "[ . 1 . 2]" 6
555 1 53 LYS QE 1 53 LYS HG2 3.150 . 4.500 2.668 2.313 3.333 . 0 0 "[ . 1 . 2]" 6
556 1 54 SER HB3 1 57 ARG HB3 3.150 . 4.500 2.603 2.009 3.308 . 0 0 "[ . 1 . 2]" 6
557 1 54 SER HA 1 54 SER HB3 2.300 . 2.800 2.411 2.343 2.484 . 0 0 "[ . 1 . 2]" 6
558 1 54 SER HA 1 54 SER HB2 2.650 . 3.500 2.831 2.459 3.029 . 0 0 "[ . 1 . 2]" 6
559 1 54 SER H 1 54 SER HB2 3.150 . 4.500 2.904 2.407 3.673 . 0 0 "[ . 1 . 2]" 6
560 1 55 ASN HA 1 55 ASN HB3 2.650 . 3.500 2.802 2.463 3.049 . 0 0 "[ . 1 . 2]" 6
561 1 55 ASN HA 1 55 ASN HB2 2.650 . 3.500 2.694 2.401 3.029 . 0 0 "[ . 1 . 2]" 6
562 1 57 ARG HB3 1 57 ARG HG2 2.650 . 3.500 2.449 2.372 2.550 . 0 0 "[ . 1 . 2]" 6
563 1 57 ARG HB2 1 57 ARG HD2 3.150 . 4.500 2.837 2.490 3.710 . 0 0 "[ . 1 . 2]" 6
564 1 54 SER HB3 1 57 ARG HB2 3.150 . 4.500 3.246 2.092 4.501 0.001 12 0 "[ . 1 . 2]" 6
565 1 57 ARG H 1 57 ARG HB2 2.650 . 3.500 2.552 2.319 2.923 . 0 0 "[ . 1 . 2]" 6
566 1 57 ARG H 1 57 ARG HG3 3.150 . 4.500 4.463 4.299 4.536 0.036 12 0 "[ . 1 . 2]" 6
567 1 57 ARG HA 1 57 ARG HG3 3.150 . 4.500 2.696 2.351 3.356 . 0 0 "[ . 1 . 2]" 6
568 1 57 ARG HD3 1 57 ARG HG2 2.650 . 3.500 2.506 2.314 3.009 . 0 0 "[ . 1 . 2]" 6
569 1 57 ARG HD2 1 57 ARG HG2 2.650 . 3.500 2.829 2.388 3.017 . 0 0 "[ . 1 . 2]" 6
570 1 57 ARG HB3 1 57 ARG HD3 3.150 . 4.500 2.903 2.351 3.809 . 0 0 "[ . 1 . 2]" 6
571 1 57 ARG HB3 1 57 ARG HD2 3.150 . 4.500 3.050 2.416 3.734 . 0 0 "[ . 1 . 2]" 6
572 1 36 SER H 1 58 VAL HA 3.150 . 4.500 3.547 3.213 3.856 . 0 0 "[ . 1 . 2]" 6
573 1 58 VAL HA 1 58 VAL MG1 3.150 . 4.500 3.240 3.225 3.254 . 0 0 "[ . 1 . 2]" 6
574 1 58 VAL HA 1 58 VAL MG2 3.150 . 4.500 2.414 2.334 2.504 . 0 0 "[ . 1 . 2]" 6
575 1 61 LEU HB3 1 61 LEU MD1 3.150 . 4.500 3.196 3.177 3.211 . 0 0 "[ . 1 . 2]" 6
576 1 61 LEU HB2 1 61 LEU MD2 3.150 . 4.500 2.418 2.395 2.443 . 0 0 "[ . 1 . 2]" 6
577 1 61 LEU HB2 1 61 LEU MD1 3.150 . 4.500 2.338 2.289 2.378 . 0 0 "[ . 1 . 2]" 6
578 1 36 SER HA 1 61 LEU HB3 3.150 . 4.500 3.659 3.497 3.728 . 0 0 "[ . 1 . 2]" 6
579 1 61 LEU HA 1 61 LEU HB3 2.650 . 3.500 3.021 3.009 3.035 . 0 0 "[ . 1 . 2]" 6
580 1 61 LEU HA 1 61 LEU HB2 2.650 . 3.500 2.482 2.440 2.507 . 0 0 "[ . 1 . 2]" 6
581 1 61 LEU HA 1 61 LEU HG 3.150 . 4.500 3.070 3.020 3.119 . 0 0 "[ . 1 . 2]" 6
582 1 60 PHE QE 1 62 HIS HA 3.150 . 4.500 2.979 2.540 3.871 . 0 0 "[ . 1 . 2]" 6
583 1 62 HIS HA 1 62 HIS HB3 2.300 . 2.800 2.461 2.409 2.495 . 0 0 "[ . 1 . 2]" 6
584 1 62 HIS HA 1 62 HIS HB2 2.300 . 2.800 2.477 2.447 2.496 . 0 0 "[ . 1 . 2]" 6
585 1 63 ASP HB2 1 64 GLY H 3.150 . 4.500 3.329 2.321 4.145 . 0 0 "[ . 1 . 2]" 6
586 1 63 ASP HB3 1 64 GLY H 3.150 . 4.500 3.632 2.673 3.945 . 0 0 "[ . 1 . 2]" 6
587 1 63 ASP H 1 63 ASP HB2 3.150 . 4.500 3.024 2.314 3.699 . 0 0 "[ . 1 . 2]" 6
588 1 63 ASP HA 1 63 ASP HB2 2.650 . 3.500 2.571 2.362 3.030 . 0 0 "[ . 1 . 2]" 6
589 1 63 ASP HA 1 63 ASP HB3 2.650 . 3.500 2.706 2.438 3.038 . 0 0 "[ . 1 . 2]" 6
590 1 65 SER HA 1 65 SER HB3 2.650 . 2.800 2.434 2.395 2.455 . 0 0 "[ . 1 . 2]" 6
591 1 65 SER HA 1 65 SER HB2 2.650 . 3.500 3.018 3.009 3.025 . 0 0 "[ . 1 . 2]" 6
592 1 66 CYS HA 1 66 CYS HB2 2.650 . 3.500 3.026 3.010 3.038 . 0 0 "[ . 1 . 2]" 6
593 1 38 TYR QD 1 66 CYS HB3 3.150 . 4.500 3.103 2.266 3.843 . 0 0 "[ . 1 . 2]" 6
594 1 1 SER HA 1 1 SER QB 2.650 . 3.500 2.330 2.191 2.407 . 0 0 "[ . 1 . 2]" 6
595 1 6 LEU H 1 6 LEU HG 3.150 . 4.500 3.310 2.230 4.455 . 0 0 "[ . 1 . 2]" 6
596 1 7 SER HA 1 7 SER QB 2.650 . 3.500 2.337 2.169 2.421 . 0 0 "[ . 1 . 2]" 6
597 1 8 PRO HA 1 8 PRO HD3 3.150 . 4.500 3.800 3.468 4.019 . 0 0 "[ . 1 . 2]" 6
598 1 8 PRO HA 1 8 PRO HD2 3.650 . 5.500 3.989 3.840 4.108 . 0 0 "[ . 1 . 2]" 6
599 1 10 LYS HB2 1 11 VAL H 3.150 . 4.500 3.367 2.117 4.316 . 0 0 "[ . 1 . 2]" 6
600 1 10 LYS HB3 1 11 VAL H 3.150 . 4.500 3.294 2.177 4.019 . 0 0 "[ . 1 . 2]" 6
601 1 10 LYS HA 1 10 LYS QD 3.150 . 4.500 3.442 1.949 4.526 0.026 12 0 "[ . 1 . 2]" 6
602 1 10 LYS QE 1 10 LYS HG3 2.650 . 3.500 2.759 2.360 3.549 0.049 19 0 "[ . 1 . 2]" 6
603 1 13 CYS HB3 1 48 CYS HB2 3.150 . 4.500 4.463 4.277 4.536 0.036 7 0 "[ . 1 . 2]" 6
604 1 14 SER HA 1 17 LYS QD 3.150 . 4.500 2.610 1.934 4.186 . 0 0 "[ . 1 . 2]" 6
605 1 18 LYS HA 1 18 LYS HG3 3.150 . 4.500 3.104 2.490 3.795 . 0 0 "[ . 1 . 2]" 6
606 1 18 LYS HA 1 18 LYS QB 2.300 . 2.800 2.338 2.174 2.423 . 0 0 "[ . 1 . 2]" 6
607 1 20 PRO HA 1 20 PRO HB3 2.650 . 2.800 2.304 2.275 2.320 . 0 0 "[ . 1 . 2]" 6
608 1 20 PRO HB3 1 20 PRO HD3 3.150 . 4.500 2.970 2.896 3.066 . 0 0 "[ . 1 . 2]" 6
609 1 20 PRO HB3 1 20 PRO HD2 3.150 . 4.500 3.894 3.850 3.954 . 0 0 "[ . 1 . 2]" 6
610 1 20 PRO HB2 1 20 PRO HD2 3.150 . 4.500 4.043 4.017 4.069 . 0 0 "[ . 1 . 2]" 6
611 1 20 PRO HD3 1 20 PRO HG3 2.650 . 3.500 2.323 2.309 2.341 . 0 0 "[ . 1 . 2]" 6
612 1 20 PRO HD2 1 20 PRO HG3 2.650 . 3.500 2.681 2.654 2.702 . 0 0 "[ . 1 . 2]" 6
613 1 20 PRO HA 1 20 PRO HG2 3.150 . 4.500 3.868 3.826 3.900 . 0 0 "[ . 1 . 2]" 6
614 1 20 PRO HB3 1 20 PRO HG3 2.300 . 2.800 2.317 2.301 2.327 . 0 0 "[ . 1 . 2]" 6
615 1 20 PRO HB2 1 20 PRO HG3 2.650 . 3.500 2.680 2.644 2.715 . 0 0 "[ . 1 . 2]" 6
616 1 19 TYR HB3 1 20 PRO HD2 3.150 . 4.500 2.204 1.970 2.409 . 0 0 "[ . 1 . 2]" 6
617 1 26 CYS HB3 1 27 PRO HD2 3.150 . 4.500 2.458 2.247 2.727 . 0 0 "[ . 1 . 2]" 6
618 1 26 CYS HB2 1 27 PRO HD2 3.150 . 4.500 3.911 3.749 4.102 . 0 0 "[ . 1 . 2]" 6
619 1 31 LEU HA 1 31 LEU MD1 3.150 . 4.500 3.743 3.214 3.925 . 0 0 "[ . 1 . 2]" 6
620 1 31 LEU HA 1 32 PRO HD3 2.300 . 2.800 2.607 2.262 2.791 . 0 0 "[ . 1 . 2]" 6
621 1 2 GLU HB3 1 3 ALA H 3.150 . 4.500 3.738 2.411 4.372 . 0 0 "[ . 1 . 2]" 6
622 1 47 LEU HG 1 58 VAL MG2 3.150 . 4.500 4.290 3.992 4.505 0.005 2 0 "[ . 1 . 2]" 6
623 1 59 GLN HA 1 59 GLN QG 2.650 . 3.500 2.560 2.322 2.898 . 0 0 "[ . 1 . 2]" 6
624 1 57 ARG HD2 1 57 ARG HG3 2.650 . 3.500 2.568 2.307 3.024 . 0 0 "[ . 1 . 2]" 6
625 1 7 SER HA 1 8 PRO HD2 2.300 . 2.800 2.539 2.137 2.848 0.048 14 0 "[ . 1 . 2]" 6
626 1 9 LYS QD 1 9 LYS HG2 2.300 . 2.800 2.312 2.154 2.417 . 0 0 "[ . 1 . 2]" 6
627 1 9 LYS QB 1 9 LYS HG2 2.300 . 2.800 2.322 2.147 2.427 . 0 0 "[ . 1 . 2]" 6
628 1 37 ASP HA 1 37 ASP HB3 2.650 . 3.500 3.028 3.017 3.036 . 0 0 "[ . 1 . 2]" 6
629 1 39 ILE HA 1 40 THR H 2.300 . 2.800 2.171 2.112 2.204 . 0 0 "[ . 1 . 2]" 6
630 1 57 ARG HB2 1 57 ARG HG2 2.650 . 3.500 2.954 2.405 3.021 . 0 0 "[ . 1 . 2]" 6
631 1 32 PRO HB2 1 32 PRO HG3 2.300 . 2.800 2.718 2.679 2.882 0.082 6 0 "[ . 1 . 2]" 6
stop_
save_
save_distance_constraint_statistics_7
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 7
_Distance_constraint_stats_list.Constraint_count 26
_Distance_constraint_stats_list.Viol_count 5
_Distance_constraint_stats_list.Viol_total 1.407
_Distance_constraint_stats_list.Viol_max 0.031
_Distance_constraint_stats_list.Viol_rms 0.0017
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0141
_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 13 CYS 0.064 0.031 4 0 "[ . 1 . 2]"
1 17 LYS 0.064 0.031 4 0 "[ . 1 . 2]"
1 32 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 GLU 0.007 0.007 3 0 "[ . 1 . 2]"
1 51 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 SER 0.007 0.007 3 0 "[ . 1 . 2]"
1 62 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 13 CYS O 1 17 LYS H 2.000 . 2.500 2.226 1.870 2.531 0.031 4 0 "[ . 1 . 2]" 7
2 1 13 CYS O 1 17 LYS N 3.000 2.500 3.500 2.950 2.696 3.205 . 0 0 "[ . 1 . 2]" 7
3 1 45 CYS O 1 49 THR H 2.000 . 2.500 1.910 1.789 2.016 . 0 0 "[ . 1 . 2]" 7
4 1 45 CYS O 1 49 THR N 3.000 2.500 3.500 2.846 2.757 2.934 . 0 0 "[ . 1 . 2]" 7
5 1 46 HIS O 1 50 GLU H 2.000 . 2.500 2.193 1.931 2.404 . 0 0 "[ . 1 . 2]" 7
6 1 46 HIS O 1 50 GLU N 3.000 2.500 3.500 3.146 2.889 3.346 . 0 0 "[ . 1 . 2]" 7
7 1 47 LEU O 1 51 SER H 2.000 . 2.500 1.915 1.832 1.977 . 0 0 "[ . 1 . 2]" 7
8 1 47 LEU O 1 51 SER N 3.000 2.500 3.500 2.801 2.730 2.859 . 0 0 "[ . 1 . 2]" 7
9 1 48 CYS O 1 52 LEU H 2.000 . 2.500 1.913 1.857 2.004 . 0 0 "[ . 1 . 2]" 7
10 1 48 CYS O 1 52 LEU N 3.000 2.500 3.500 2.865 2.798 2.948 . 0 0 "[ . 1 . 2]" 7
11 1 49 THR O 1 53 LYS H 2.000 . 2.500 2.066 1.884 2.431 . 0 0 "[ . 1 . 2]" 7
12 1 49 THR O 1 53 LYS N 3.000 2.500 3.500 2.992 2.846 3.303 . 0 0 "[ . 1 . 2]" 7
13 1 50 GLU O 1 54 SER H 2.000 . 2.500 1.968 1.769 2.507 0.007 3 0 "[ . 1 . 2]" 7
14 1 50 GLU O 1 54 SER N 3.000 2.500 3.500 2.869 2.710 3.227 . 0 0 "[ . 1 . 2]" 7
15 1 33 VAL H 1 41 TYR O 2.000 . 2.500 2.140 2.048 2.228 . 0 0 "[ . 1 . 2]" 7
16 1 33 VAL N 1 41 TYR O 3.000 2.500 3.500 3.108 3.017 3.197 . 0 0 "[ . 1 . 2]" 7
17 1 33 VAL O 1 41 TYR H 2.000 . 2.500 1.764 1.723 1.851 . 0 0 "[ . 1 . 2]" 7
18 1 33 VAL O 1 41 TYR N 3.000 2.500 3.500 2.742 2.692 2.827 . 0 0 "[ . 1 . 2]" 7
19 1 35 GLY H 1 39 ILE O 2.000 . 2.500 2.005 1.825 2.158 . 0 0 "[ . 1 . 2]" 7
20 1 35 GLY N 1 39 ILE O 3.000 2.500 3.500 2.983 2.808 3.120 . 0 0 "[ . 1 . 2]" 7
21 1 34 CYS H 1 62 HIS O 2.000 . 2.500 1.998 1.897 2.151 . 0 0 "[ . 1 . 2]" 7
22 1 34 CYS N 1 62 HIS O 3.000 2.500 3.500 2.908 2.806 3.030 . 0 0 "[ . 1 . 2]" 7
23 1 34 CYS O 1 62 HIS H 2.000 . 2.500 2.319 2.144 2.420 . 0 0 "[ . 1 . 2]" 7
24 1 34 CYS O 1 62 HIS N 3.000 2.500 3.500 3.268 3.101 3.372 . 0 0 "[ . 1 . 2]" 7
25 1 32 PRO O 1 64 GLY H 2.000 . 2.500 1.952 1.745 2.197 . 0 0 "[ . 1 . 2]" 7
26 1 32 PRO O 1 64 GLY N 3.000 2.500 3.500 2.765 2.657 2.921 . 0 0 "[ . 1 . 2]" 7
stop_
save_
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