Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
529691 | 2lo2 RC | 18191 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lo2
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 487
_Distance_constraint_stats_list.Viol_count 654
_Distance_constraint_stats_list.Viol_total 906.944
_Distance_constraint_stats_list.Viol_max 0.728
_Distance_constraint_stats_list.Viol_rms 0.0251
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0047
_Distance_constraint_stats_list.Viol_average_violations_only 0.0693
_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 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 GLN 0.054 0.046 15 0 "[ . 1 . 2]"
1 5 GLU 0.054 0.046 15 0 "[ . 1 . 2]"
1 6 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 GLN 1.360 0.131 19 0 "[ . 1 . 2]"
1 9 TYR 2.702 0.174 8 0 "[ . 1 . 2]"
1 10 ILE 7.767 0.728 8 3 "[ * + 1 - . 2]"
1 11 HIS 1.144 0.158 5 0 "[ . 1 . 2]"
1 12 CYS 3.055 0.128 1 0 "[ . 1 . 2]"
1 13 GLU 3.426 0.180 2 0 "[ . 1 . 2]"
1 14 ASN 5.945 0.256 9 0 "[ . 1 . 2]"
1 15 CYS 0.918 0.081 10 0 "[ . 1 . 2]"
1 16 GLY 1.738 0.123 10 0 "[ . 1 . 2]"
1 17 ARG 5.371 0.180 2 0 "[ . 1 . 2]"
1 18 ASP 7.815 0.210 17 0 "[ . 1 . 2]"
1 19 VAL 7.173 0.210 17 0 "[ . 1 . 2]"
1 20 SER 1.753 0.138 8 0 "[ . 1 . 2]"
1 21 ALA 5.126 0.728 8 3 "[ * + 1 - . 2]"
1 22 ASN 1.653 0.174 8 0 "[ . 1 . 2]"
1 23 ARG 1.786 0.138 8 0 "[ . 1 . 2]"
1 24 LEU 5.391 0.256 9 0 "[ . 1 . 2]"
1 25 ALA 1.152 0.096 16 0 "[ . 1 . 2]"
1 26 ALA 0.515 0.057 20 0 "[ . 1 . 2]"
1 27 HIS 3.896 0.119 4 0 "[ . 1 . 2]"
1 28 LEU 4.464 0.174 13 0 "[ . 1 . 2]"
1 29 GLN 1.216 0.073 17 0 "[ . 1 . 2]"
1 30 ARG 3.523 0.130 3 0 "[ . 1 . 2]"
1 31 CYS 3.390 0.119 4 0 "[ . 1 . 2]"
1 32 LEU 1.837 0.174 13 0 "[ . 1 . 2]"
1 33 SER 0.256 0.105 16 0 "[ . 1 . 2]"
1 34 ARG 1.050 0.105 18 0 "[ . 1 . 2]"
1 35 GLY 0.013 0.013 10 0 "[ . 1 . 2]"
1 36 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 GLN HA 1 4 GLN H 6.000 . 7.000 2.748 2.067 3.574 . 0 0 "[ . 1 . 2]" 1
2 1 4 GLN HA 1 5 GLU H 6.000 . 7.000 2.604 2.091 3.540 . 0 0 "[ . 1 . 2]" 1
3 1 7 SER HA 1 8 GLN H 6.000 . 7.000 2.789 2.121 3.601 . 0 0 "[ . 1 . 2]" 1
4 1 8 GLN HB3 1 21 ALA H 4.000 . 5.000 3.539 2.916 3.916 . 0 0 "[ . 1 . 2]" 1
5 1 8 GLN HB2 1 9 TYR H 6.000 . 7.000 4.003 3.394 4.614 . 0 0 "[ . 1 . 2]" 1
6 1 9 TYR H 1 9 TYR HB3 4.000 . 5.000 3.713 3.619 3.842 . 0 0 "[ . 1 . 2]" 1
7 1 9 TYR HB3 1 10 ILE H 4.000 . 5.000 2.849 2.615 3.238 . 0 0 "[ . 1 . 2]" 1
8 1 9 TYR HB3 1 18 ASP HB2 4.000 . 5.000 4.697 4.486 4.928 . 0 0 "[ . 1 . 2]" 1
9 1 9 TYR HB3 1 19 VAL H 4.000 . 5.000 3.212 3.033 3.416 . 0 0 "[ . 1 . 2]" 1
10 1 9 TYR H 1 9 TYR HB2 4.000 . 5.000 2.710 2.511 2.949 . 0 0 "[ . 1 . 2]" 1
11 1 9 TYR HB2 1 10 ILE H 4.000 . 5.000 3.837 3.643 4.125 . 0 0 "[ . 1 . 2]" 1
12 1 9 TYR HB2 1 19 VAL H 4.000 . 5.000 4.733 4.524 4.914 . 0 0 "[ . 1 . 2]" 1
13 1 8 GLN HG2 1 9 TYR QD 6.000 . 7.000 6.180 5.339 6.929 . 0 0 "[ . 1 . 2]" 1
14 1 9 TYR H 1 9 TYR QD 4.000 . 4.000 2.519 2.131 2.867 . 0 0 "[ . 1 . 2]" 1
15 1 9 TYR QD 1 10 ILE H 4.000 . 5.000 4.205 3.928 4.436 . 0 0 "[ . 1 . 2]" 1
16 1 9 TYR QD 1 18 ASP HB3 4.000 . 5.000 4.536 3.332 5.038 0.038 1 0 "[ . 1 . 2]" 1
17 1 9 TYR QD 1 20 SER HA 4.000 . 5.000 3.099 2.561 3.702 . 0 0 "[ . 1 . 2]" 1
18 1 9 TYR QD 1 20 SER HB3 4.000 . 5.000 4.578 4.019 4.999 . 0 0 "[ . 1 . 2]" 1
19 1 9 TYR QD 1 20 SER H 4.000 . 5.000 2.625 2.142 3.481 . 0 0 "[ . 1 . 2]" 1
20 1 10 ILE H 1 10 ILE HG13 4.000 . 5.000 4.365 3.269 4.517 . 0 0 "[ . 1 . 2]" 1
21 1 10 ILE H 1 10 ILE HG12 4.000 . 5.000 4.515 2.305 5.002 0.002 7 0 "[ . 1 . 2]" 1
22 1 10 ILE H 1 19 VAL H 4.000 . 4.000 2.935 2.747 3.094 . 0 0 "[ . 1 . 2]" 1
23 1 11 HIS H 1 11 HIS HB3 4.000 . 5.000 2.524 2.294 2.732 . 0 0 "[ . 1 . 2]" 1
24 1 11 HIS H 1 11 HIS HB2 4.000 . 4.000 2.996 2.506 3.765 . 0 0 "[ . 1 . 2]" 1
25 1 10 ILE HG12 1 11 HIS H 4.000 . 5.000 3.690 2.994 4.134 . 0 0 "[ . 1 . 2]" 1
26 1 12 CYS H 1 12 CYS HB3 4.000 . 4.000 2.412 2.276 2.516 . 0 0 "[ . 1 . 2]" 1
27 1 12 CYS HB3 1 13 GLU H 4.000 . 5.000 3.987 3.903 4.084 . 0 0 "[ . 1 . 2]" 1
28 1 12 CYS HB3 1 16 GLY HA3 4.000 . 5.000 5.070 5.007 5.123 0.123 10 0 "[ . 1 . 2]" 1
29 1 12 CYS HB3 1 16 GLY H 4.000 . 5.000 3.224 2.952 3.308 . 0 0 "[ . 1 . 2]" 1
30 1 12 CYS HB3 1 17 ARG H 4.000 . 5.000 1.876 1.798 1.938 0.002 12 0 "[ . 1 . 2]" 1
31 1 12 CYS HB3 1 19 VAL MG2 4.000 . 5.000 3.513 3.217 3.809 . 0 0 "[ . 1 . 2]" 1
32 1 12 CYS H 1 12 CYS HB2 4.000 . 5.000 2.552 2.482 2.617 . 0 0 "[ . 1 . 2]" 1
33 1 12 CYS HB2 1 17 ARG H 4.000 . 5.000 3.508 3.424 3.581 . 0 0 "[ . 1 . 2]" 1
34 1 12 CYS HB2 1 19 VAL MG2 4.000 . 5.000 2.974 2.698 3.235 . 0 0 "[ . 1 . 2]" 1
35 1 12 CYS HB2 1 27 HIS HD2 4.000 . 5.000 3.710 3.419 4.009 . 0 0 "[ . 1 . 2]" 1
36 1 13 GLU HA 1 15 CYS H 4.000 . 5.000 4.459 3.605 5.015 0.015 14 0 "[ . 1 . 2]" 1
37 1 13 GLU H 1 13 GLU HB3 4.000 . 5.000 3.313 2.558 3.748 . 0 0 "[ . 1 . 2]" 1
38 1 13 GLU H 1 13 GLU HB2 4.000 . 5.000 2.946 2.400 3.718 . 0 0 "[ . 1 . 2]" 1
39 1 13 GLU QG 1 14 ASN H 4.000 . 5.000 3.732 2.607 4.336 . 0 0 "[ . 1 . 2]" 1
40 1 13 GLU H 1 17 ARG H 4.000 . 5.000 5.132 5.088 5.180 0.180 2 0 "[ . 1 . 2]" 1
41 1 14 ASN H 1 14 ASN HB3 4.000 . 5.000 3.524 2.917 3.639 . 0 0 "[ . 1 . 2]" 1
42 1 14 ASN H 1 14 ASN HB2 4.000 . 4.000 2.332 2.275 2.432 . 0 0 "[ . 1 . 2]" 1
43 1 15 CYS HB2 1 17 ARG H 4.000 . 5.000 4.626 4.505 4.865 . 0 0 "[ . 1 . 2]" 1
44 1 12 CYS HB3 1 15 CYS H 4.000 . 4.000 3.006 2.794 3.178 . 0 0 "[ . 1 . 2]" 1
45 1 15 CYS H 1 16 GLY HA2 4.000 . 5.000 4.242 3.944 4.582 . 0 0 "[ . 1 . 2]" 1
46 1 15 CYS H 1 17 ARG H 4.000 . 5.000 3.421 3.284 3.702 . 0 0 "[ . 1 . 2]" 1
47 1 16 GLY HA3 1 17 ARG H 4.000 . 5.000 3.502 3.464 3.536 . 0 0 "[ . 1 . 2]" 1
48 1 16 GLY HA2 1 17 ARG H 4.000 . 5.000 2.785 2.638 2.867 . 0 0 "[ . 1 . 2]" 1
49 1 14 ASN HB2 1 16 GLY H 4.000 . 5.000 4.759 4.359 5.068 0.068 9 0 "[ . 1 . 2]" 1
50 1 14 ASN H 1 16 GLY H 4.000 . 5.000 3.178 2.867 3.375 . 0 0 "[ . 1 . 2]" 1
51 1 17 ARG H 1 17 ARG HB3 4.000 . 4.000 2.632 2.573 2.724 . 0 0 "[ . 1 . 2]" 1
52 1 17 ARG H 1 17 ARG HB2 4.000 . 5.000 3.153 2.979 3.299 . 0 0 "[ . 1 . 2]" 1
53 1 17 ARG HB2 1 18 ASP H 4.000 . 4.000 3.942 3.787 4.028 0.028 15 0 "[ . 1 . 2]" 1
54 1 17 ARG H 1 17 ARG QG 4.000 . 4.000 4.048 4.019 4.095 0.095 3 0 "[ . 1 . 2]" 1
55 1 16 GLY H 1 17 ARG H 4.000 . 5.000 2.668 2.439 2.795 . 0 0 "[ . 1 . 2]" 1
56 1 9 TYR HB3 1 18 ASP HB3 4.000 . 5.000 4.216 3.918 4.431 . 0 0 "[ . 1 . 2]" 1
57 1 18 ASP HB3 1 19 VAL H 4.000 . 5.000 4.129 4.063 4.223 . 0 0 "[ . 1 . 2]" 1
58 1 18 ASP H 1 18 ASP HB2 4.000 . 4.000 2.454 2.287 2.620 . 0 0 "[ . 1 . 2]" 1
59 1 18 ASP HB2 1 19 VAL H 4.000 . 5.000 4.431 4.330 4.540 . 0 0 "[ . 1 . 2]" 1
60 1 19 VAL HA 1 20 SER H 4.000 . 4.000 2.280 2.177 2.406 . 0 0 "[ . 1 . 2]" 1
61 1 19 VAL H 1 19 VAL HB 4.000 . 4.000 2.765 2.672 2.833 . 0 0 "[ . 1 . 2]" 1
62 1 19 VAL HB 1 20 SER H 4.000 . 5.000 3.895 3.749 4.107 . 0 0 "[ . 1 . 2]" 1
63 1 19 VAL HB 1 24 LEU HA 4.000 . 5.000 4.031 3.627 4.244 . 0 0 "[ . 1 . 2]" 1
64 1 19 VAL H 1 19 VAL MG1 4.000 . 5.000 3.938 3.891 3.977 . 0 0 "[ . 1 . 2]" 1
65 1 19 VAL MG1 1 20 SER HB2 4.000 . 5.000 3.504 2.828 4.154 . 0 0 "[ . 1 . 2]" 1
66 1 19 VAL MG1 1 20 SER H 4.000 . 5.000 2.280 2.094 2.535 . 0 0 "[ . 1 . 2]" 1
67 1 19 VAL MG1 1 24 LEU HA 4.000 . 5.000 3.040 2.624 3.445 . 0 0 "[ . 1 . 2]" 1
68 1 19 VAL MG1 1 24 LEU HB2 4.000 . 5.000 4.109 3.003 4.677 . 0 0 "[ . 1 . 2]" 1
69 1 19 VAL MG1 1 24 LEU MD2 4.000 . 5.000 2.846 2.253 4.180 . 0 0 "[ . 1 . 2]" 1
70 1 19 VAL MG1 1 27 HIS HB3 4.000 . 5.000 3.107 2.655 3.345 . 0 0 "[ . 1 . 2]" 1
71 1 19 VAL MG1 1 27 HIS HB2 4.000 . 5.000 2.558 2.363 2.850 . 0 0 "[ . 1 . 2]" 1
72 1 10 ILE H 1 19 VAL MG2 4.000 . 5.000 5.024 5.010 5.056 0.056 9 0 "[ . 1 . 2]" 1
73 1 18 ASP H 1 19 VAL MG2 4.000 . 5.000 3.533 3.228 3.779 . 0 0 "[ . 1 . 2]" 1
74 1 19 VAL H 1 19 VAL MG2 4.000 . 5.000 2.680 2.605 2.808 . 0 0 "[ . 1 . 2]" 1
75 1 19 VAL MG2 1 20 SER H 4.000 . 5.000 3.936 3.830 4.028 . 0 0 "[ . 1 . 2]" 1
76 1 19 VAL MG2 1 24 LEU MD2 4.000 . 5.000 3.459 3.106 4.413 . 0 0 "[ . 1 . 2]" 1
77 1 19 VAL MG2 1 27 HIS HB2 4.000 . 5.000 4.389 3.926 4.640 . 0 0 "[ . 1 . 2]" 1
78 1 19 VAL MG2 1 27 HIS HD2 4.000 . 5.000 3.920 3.523 4.195 . 0 0 "[ . 1 . 2]" 1
79 1 9 TYR QD 1 19 VAL H 4.000 . 5.000 4.006 3.472 4.539 . 0 0 "[ . 1 . 2]" 1
80 1 10 ILE H 1 20 SER HA 4.000 . 5.000 3.675 3.446 3.982 . 0 0 "[ . 1 . 2]" 1
81 1 19 VAL HA 1 20 SER HA 4.000 . 5.000 4.348 4.262 4.447 . 0 0 "[ . 1 . 2]" 1
82 1 20 SER HA 1 21 ALA MB 4.000 . 5.000 3.923 3.823 4.021 . 0 0 "[ . 1 . 2]" 1
83 1 20 SER HA 1 21 ALA H 4.000 . 4.000 2.093 2.034 2.175 . 0 0 "[ . 1 . 2]" 1
84 1 20 SER H 1 20 SER HB3 4.000 . 4.000 3.123 2.363 3.549 . 0 0 "[ . 1 . 2]" 1
85 1 20 SER HB3 1 21 ALA H 4.000 . 5.000 3.656 3.208 4.267 . 0 0 "[ . 1 . 2]" 1
86 1 20 SER H 1 20 SER HB2 4.000 . 5.000 2.527 2.203 2.642 . 0 0 "[ . 1 . 2]" 1
87 1 10 ILE HG12 1 21 ALA HA 4.000 . 5.000 4.678 2.856 5.559 0.559 12 1 "[ . 1 + . 2]" 1
88 1 21 ALA HA 1 24 LEU HB2 4.000 . 5.000 2.446 2.047 3.052 . 0 0 "[ . 1 . 2]" 1
89 1 8 GLN HB3 1 21 ALA MB 4.000 . 4.000 3.701 2.361 4.102 0.102 4 0 "[ . 1 . 2]" 1
90 1 22 ASN H 1 22 ASN HB2 4.000 . 4.000 2.616 2.450 2.777 . 0 0 "[ . 1 . 2]" 1
91 1 20 SER HB2 1 23 ARG HB3 4.000 . 5.000 3.405 1.872 5.053 0.053 7 0 "[ . 1 . 2]" 1
92 1 23 ARG HB3 1 24 LEU H 4.000 . 5.000 3.803 2.909 4.326 . 0 0 "[ . 1 . 2]" 1
93 1 20 SER HB3 1 23 ARG HB2 4.000 . 5.000 3.023 1.831 4.039 . 0 0 "[ . 1 . 2]" 1
94 1 20 SER HB3 1 23 ARG QD 4.000 . 5.000 4.057 2.271 5.138 0.138 8 0 "[ . 1 . 2]" 1
95 1 20 SER HB2 1 23 ARG QG 4.000 . 5.000 3.664 2.110 5.043 0.043 4 0 "[ . 1 . 2]" 1
96 1 22 ASN HB3 1 23 ARG H 4.000 . 5.000 3.073 2.611 3.323 . 0 0 "[ . 1 . 2]" 1
97 1 22 ASN HB2 1 23 ARG H 4.000 . 5.000 4.117 3.793 4.221 . 0 0 "[ . 1 . 2]" 1
98 1 23 ARG H 1 23 ARG HB2 4.000 . 4.000 2.545 2.314 2.946 . 0 0 "[ . 1 . 2]" 1
99 1 23 ARG H 1 23 ARG QG 4.000 . 4.000 3.495 2.495 4.080 0.080 6 0 "[ . 1 . 2]" 1
100 1 24 LEU HA 1 24 LEU MD1 4.000 . 5.000 2.558 2.062 2.944 . 0 0 "[ . 1 . 2]" 1
101 1 24 LEU HA 1 27 HIS HB2 4.000 . 5.000 3.107 2.781 3.318 . 0 0 "[ . 1 . 2]" 1
102 1 24 LEU HA 1 27 HIS H 4.000 . 4.000 3.540 3.369 3.782 . 0 0 "[ . 1 . 2]" 1
103 1 24 LEU H 1 24 LEU HB3 4.000 . 4.000 2.860 2.534 3.428 . 0 0 "[ . 1 . 2]" 1
104 1 24 LEU HB3 1 25 ALA HA 4.000 . 5.000 4.118 3.833 4.612 . 0 0 "[ . 1 . 2]" 1
105 1 24 LEU HB3 1 25 ALA H 4.000 . 5.000 2.814 2.695 3.303 . 0 0 "[ . 1 . 2]" 1
106 1 23 ARG H 1 24 LEU HB2 4.000 . 5.000 3.865 3.446 4.423 . 0 0 "[ . 1 . 2]" 1
107 1 24 LEU H 1 24 LEU HB2 4.000 . 4.000 2.265 2.082 2.571 . 0 0 "[ . 1 . 2]" 1
108 1 24 LEU H 1 24 LEU MD1 4.000 . 5.000 4.329 4.093 4.440 . 0 0 "[ . 1 . 2]" 1
109 1 24 LEU MD1 1 25 ALA HA 4.000 . 5.000 3.904 3.297 4.958 . 0 0 "[ . 1 . 2]" 1
110 1 24 LEU MD1 1 25 ALA H 4.000 . 5.000 4.042 3.706 4.626 . 0 0 "[ . 1 . 2]" 1
111 1 24 LEU MD1 1 27 HIS HD2 4.000 . 5.000 2.450 1.851 2.999 . 0 0 "[ . 1 . 2]" 1
112 1 24 LEU MD1 1 28 LEU MD1 4.000 . 5.000 3.966 3.754 4.271 . 0 0 "[ . 1 . 2]" 1
113 1 24 LEU MD1 1 28 LEU H 4.000 . 5.000 3.345 3.043 3.753 . 0 0 "[ . 1 . 2]" 1
114 1 24 LEU H 1 24 LEU MD2 4.000 . 5.000 3.786 2.721 4.310 . 0 0 "[ . 1 . 2]" 1
115 1 24 LEU H 1 25 ALA H 4.000 . 5.000 2.691 2.551 3.090 . 0 0 "[ . 1 . 2]" 1
116 1 25 ALA HA 1 28 LEU H 4.000 . 5.000 3.403 3.184 3.627 . 0 0 "[ . 1 . 2]" 1
117 1 25 ALA H 1 26 ALA H 4.000 . 5.000 2.936 2.689 3.119 . 0 0 "[ . 1 . 2]" 1
118 1 26 ALA HA 1 29 GLN HB2 4.000 . 5.000 2.835 2.645 3.033 . 0 0 "[ . 1 . 2]" 1
119 1 26 ALA HA 1 29 GLN HG3 4.000 . 5.000 3.512 2.829 5.008 0.008 12 0 "[ . 1 . 2]" 1
120 1 26 ALA HA 1 29 GLN H 4.000 . 5.000 3.238 3.095 3.425 . 0 0 "[ . 1 . 2]" 1
121 1 23 ARG QG 1 26 ALA MB 4.000 . 5.000 3.749 2.308 5.015 0.015 15 0 "[ . 1 . 2]" 1
122 1 26 ALA MB 1 27 HIS HB2 4.000 . 5.000 4.275 4.111 4.426 . 0 0 "[ . 1 . 2]" 1
123 1 26 ALA MB 1 27 HIS H 4.000 . 5.000 2.502 2.394 2.598 . 0 0 "[ . 1 . 2]" 1
124 1 26 ALA H 1 27 HIS HB2 4.000 . 5.000 5.024 5.007 5.057 0.057 20 0 "[ . 1 . 2]" 1
125 1 26 ALA H 1 27 HIS H 4.000 . 5.000 2.487 2.433 2.537 . 0 0 "[ . 1 . 2]" 1
126 1 19 VAL MG2 1 27 HIS HB3 4.000 . 5.000 4.686 4.242 4.964 . 0 0 "[ . 1 . 2]" 1
127 1 24 LEU HA 1 27 HIS HB3 4.000 . 5.000 2.013 1.863 2.145 . 0 0 "[ . 1 . 2]" 1
128 1 27 HIS HB3 1 27 HIS HD2 4.000 . 5.000 2.666 2.643 2.730 . 0 0 "[ . 1 . 2]" 1
129 1 27 HIS H 1 27 HIS HB3 4.000 . 4.000 2.422 2.377 2.470 . 0 0 "[ . 1 . 2]" 1
130 1 27 HIS HB3 1 28 LEU H 4.000 . 5.000 2.582 2.405 2.706 . 0 0 "[ . 1 . 2]" 1
131 1 27 HIS HB2 1 27 HIS HD2 4.000 . 5.000 3.797 3.771 3.860 . 0 0 "[ . 1 . 2]" 1
132 1 27 HIS H 1 27 HIS HB2 4.000 . 4.000 2.697 2.653 2.737 . 0 0 "[ . 1 . 2]" 1
133 1 27 HIS HB2 1 28 LEU H 4.000 . 5.000 3.952 3.837 4.042 . 0 0 "[ . 1 . 2]" 1
134 1 27 HIS HD1 1 31 CYS H 4.000 . 5.000 5.042 5.008 5.119 0.119 4 0 "[ . 1 . 2]" 1
135 1 27 HIS HD2 1 28 LEU H 4.000 . 5.000 3.465 3.307 3.611 . 0 0 "[ . 1 . 2]" 1
136 1 27 HIS HD2 1 31 CYS HB3 4.000 . 5.000 4.078 3.681 4.298 . 0 0 "[ . 1 . 2]" 1
137 1 27 HIS HE1 1 31 CYS HB2 4.000 . 5.000 3.770 3.636 3.886 . 0 0 "[ . 1 . 2]" 1
138 1 27 HIS H 1 28 LEU H 4.000 . 4.000 2.735 2.682 2.823 . 0 0 "[ . 1 . 2]" 1
139 1 27 HIS HD2 1 28 LEU HA 4.000 . 5.000 3.250 3.001 3.416 . 0 0 "[ . 1 . 2]" 1
140 1 28 LEU HA 1 28 LEU MD1 4.000 . 5.000 2.284 2.088 2.442 . 0 0 "[ . 1 . 2]" 1
141 1 28 LEU HA 1 28 LEU HG 4.000 . 5.000 3.590 3.566 3.621 . 0 0 "[ . 1 . 2]" 1
142 1 28 LEU HA 1 31 CYS HB3 4.000 . 5.000 1.960 1.869 2.040 . 0 0 "[ . 1 . 2]" 1
143 1 28 LEU HA 1 31 CYS H 4.000 . 5.000 3.061 2.904 3.226 . 0 0 "[ . 1 . 2]" 1
144 1 28 LEU HA 1 32 LEU H 4.000 . 5.000 3.432 3.192 3.718 . 0 0 "[ . 1 . 2]" 1
145 1 28 LEU H 1 28 LEU HB3 4.000 . 4.000 3.221 3.126 3.373 . 0 0 "[ . 1 . 2]" 1
146 1 28 LEU HB3 1 29 GLN HE21 4.000 . 5.000 2.710 2.571 2.918 . 0 0 "[ . 1 . 2]" 1
147 1 28 LEU HB3 1 32 LEU H 4.000 . 5.000 4.620 4.271 4.961 . 0 0 "[ . 1 . 2]" 1
148 1 28 LEU H 1 28 LEU MD1 4.000 . 5.000 4.268 4.183 4.350 . 0 0 "[ . 1 . 2]" 1
149 1 28 LEU MD1 1 31 CYS HB3 4.000 . 5.000 2.487 2.289 2.641 . 0 0 "[ . 1 . 2]" 1
150 1 28 LEU MD1 1 32 LEU MD2 4.000 . 5.000 2.507 1.873 3.492 . 0 0 "[ . 1 . 2]" 1
151 1 14 ASN HB2 1 28 LEU MD2 4.000 . 5.000 2.322 2.029 2.935 . 0 0 "[ . 1 . 2]" 1
152 1 27 HIS HB3 1 28 LEU MD2 4.000 . 5.000 3.757 3.686 3.796 . 0 0 "[ . 1 . 2]" 1
153 1 27 HIS HB2 1 28 LEU MD2 4.000 . 5.000 5.086 5.024 5.116 0.116 9 0 "[ . 1 . 2]" 1
154 1 27 HIS HD2 1 28 LEU MD2 4.000 . 5.000 2.239 2.130 2.326 . 0 0 "[ . 1 . 2]" 1
155 1 28 LEU HA 1 28 LEU MD2 4.000 . 4.000 1.920 1.869 2.039 . 0 0 "[ . 1 . 2]" 1
156 1 28 LEU H 1 28 LEU MD2 4.000 . 5.000 3.114 2.890 3.246 . 0 0 "[ . 1 . 2]" 1
157 1 28 LEU H 1 28 LEU HG 4.000 . 5.000 4.325 4.244 4.382 . 0 0 "[ . 1 . 2]" 1
158 1 28 LEU HG 1 29 GLN HE21 4.000 . 5.000 4.979 4.735 5.061 0.061 9 0 "[ . 1 . 2]" 1
159 1 28 LEU HG 1 31 CYS HB3 4.000 . 5.000 4.921 4.732 5.073 0.073 8 0 "[ . 1 . 2]" 1
160 1 28 LEU H 1 29 GLN H 4.000 . 5.000 2.588 2.534 2.648 . 0 0 "[ . 1 . 2]" 1
161 1 29 GLN HA 1 29 GLN HG3 4.000 . 5.000 3.488 2.421 3.786 . 0 0 "[ . 1 . 2]" 1
162 1 28 LEU H 1 29 GLN HB2 4.000 . 5.000 4.858 4.573 4.996 . 0 0 "[ . 1 . 2]" 1
163 1 29 GLN HB2 1 30 ARG H 4.000 . 5.000 2.646 2.432 2.926 . 0 0 "[ . 1 . 2]" 1
164 1 29 GLN H 1 29 GLN HG2 4.000 . 5.000 2.636 2.142 4.124 . 0 0 "[ . 1 . 2]" 1
165 1 29 GLN H 1 30 ARG H 4.000 . 5.000 2.699 2.563 2.773 . 0 0 "[ . 1 . 2]" 1
166 1 30 ARG HA 1 31 CYS H 4.000 . 5.000 3.490 3.436 3.538 . 0 0 "[ . 1 . 2]" 1
167 1 30 ARG H 1 30 ARG HB3 4.000 . 4.000 2.598 2.274 3.556 . 0 0 "[ . 1 . 2]" 1
168 1 30 ARG HB3 1 31 CYS H 4.000 . 5.000 2.600 2.361 3.435 . 0 0 "[ . 1 . 2]" 1
169 1 30 ARG H 1 30 ARG HB2 4.000 . 5.000 2.485 2.134 2.712 . 0 0 "[ . 1 . 2]" 1
170 1 30 ARG H 1 30 ARG HE 4.000 . 5.000 4.649 3.946 5.056 0.056 19 0 "[ . 1 . 2]" 1
171 1 30 ARG H 1 30 ARG QG 4.000 . 5.000 3.872 2.251 4.074 . 0 0 "[ . 1 . 2]" 1
172 1 27 HIS HA 1 30 ARG H 4.000 . 4.000 3.410 3.225 3.624 . 0 0 "[ . 1 . 2]" 1
173 1 30 ARG H 1 31 CYS HB3 4.000 . 5.000 4.696 4.577 4.867 . 0 0 "[ . 1 . 2]" 1
174 1 30 ARG H 1 31 CYS HA 4.000 . 5.000 5.095 5.077 5.116 0.116 20 0 "[ . 1 . 2]" 1
175 1 31 CYS HA 1 32 LEU H 4.000 . 4.000 3.556 3.495 3.622 . 0 0 "[ . 1 . 2]" 1
176 1 31 CYS H 1 31 CYS HB3 4.000 . 4.000 2.632 2.545 2.758 . 0 0 "[ . 1 . 2]" 1
177 1 31 CYS HB3 1 32 LEU H 4.000 . 5.000 2.538 2.193 2.952 . 0 0 "[ . 1 . 2]" 1
178 1 27 HIS HD2 1 31 CYS HB2 4.000 . 5.000 3.326 3.179 3.505 . 0 0 "[ . 1 . 2]" 1
179 1 31 CYS H 1 31 CYS HB2 4.000 . 4.000 2.303 2.241 2.348 . 0 0 "[ . 1 . 2]" 1
180 1 28 LEU H 1 31 CYS H 4.000 . 5.000 4.418 4.352 4.528 . 0 0 "[ . 1 . 2]" 1
181 1 31 CYS H 1 32 LEU H 4.000 . 5.000 2.769 2.653 2.962 . 0 0 "[ . 1 . 2]" 1
182 1 32 LEU HA 1 32 LEU HG 4.000 . 4.000 3.586 2.943 3.798 . 0 0 "[ . 1 . 2]" 1
183 1 32 LEU HA 1 33 SER H 4.000 . 5.000 3.543 3.355 3.624 . 0 0 "[ . 1 . 2]" 1
184 1 32 LEU H 1 32 LEU HB3 4.000 . 5.000 3.024 2.584 3.643 . 0 0 "[ . 1 . 2]" 1
185 1 32 LEU HB3 1 33 SER H 4.000 . 5.000 3.050 2.493 3.988 . 0 0 "[ . 1 . 2]" 1
186 1 32 LEU H 1 32 LEU HB2 4.000 . 4.000 2.277 2.155 2.407 . 0 0 "[ . 1 . 2]" 1
187 1 32 LEU HB2 1 33 SER H 4.000 . 5.000 3.549 2.789 3.780 . 0 0 "[ . 1 . 2]" 1
188 1 14 ASN HB2 1 32 LEU MD2 4.000 . 5.000 4.535 3.232 5.036 0.036 17 0 "[ . 1 . 2]" 1
189 1 32 LEU HA 1 32 LEU MD2 4.000 . 4.000 2.039 1.889 2.167 . 0 0 "[ . 1 . 2]" 1
190 1 32 LEU H 1 32 LEU MD2 4.000 . 5.000 3.703 3.023 4.001 . 0 0 "[ . 1 . 2]" 1
191 1 30 ARG HA 1 33 SER HB3 4.000 . 5.000 3.421 2.480 4.931 . 0 0 "[ . 1 . 2]" 1
192 1 33 SER H 1 33 SER HB3 4.000 . 4.000 2.875 2.495 3.628 . 0 0 "[ . 1 . 2]" 1
193 1 32 LEU H 1 33 SER H 4.000 . 4.000 2.461 2.310 2.627 . 0 0 "[ . 1 . 2]" 1
194 1 34 ARG HA 1 34 ARG HG3 4.000 . 5.000 3.038 2.462 3.797 . 0 0 "[ . 1 . 2]" 1
195 1 34 ARG HA 1 34 ARG HG2 4.000 . 5.000 2.805 2.508 4.305 . 0 0 "[ . 1 . 2]" 1
196 1 34 ARG H 1 34 ARG HB3 4.000 . 5.000 3.638 3.558 3.713 . 0 0 "[ . 1 . 2]" 1
197 1 34 ARG H 1 34 ARG HB2 4.000 . 5.000 2.603 2.322 3.943 . 0 0 "[ . 1 . 2]" 1
198 1 31 CYS HA 1 34 ARG QD 4.000 . 5.000 4.254 2.837 5.043 0.043 8 0 "[ . 1 . 2]" 1
199 1 35 GLY HA3 1 36 ALA H 6.000 . 7.000 3.044 2.131 3.561 . 0 0 "[ . 1 . 2]" 1
200 1 35 GLY HA2 1 36 ALA H 6.000 . 7.000 2.843 2.118 3.521 . 0 0 "[ . 1 . 2]" 1
201 1 7 SER HB2 1 9 TYR H 6.000 . 7.000 4.838 2.675 5.873 . 0 0 "[ . 1 . 2]" 1
202 1 8 GLN HA 1 9 TYR H 6.000 . 7.000 2.913 2.200 3.279 . 0 0 "[ . 1 . 2]" 1
203 1 12 CYS H 1 12 CYS HA 3.000 . 4.000 2.831 2.803 2.868 . 0 0 "[ . 1 . 2]" 1
204 1 12 CYS HA 1 13 GLU H 3.000 . 4.000 2.125 2.032 2.248 . 0 0 "[ . 1 . 2]" 1
205 1 13 GLU HA 1 13 GLU HB3 3.000 . 4.000 2.483 2.360 3.036 . 0 0 "[ . 1 . 2]" 1
206 1 14 ASN H 1 15 CYS H 3.000 . 4.000 2.450 2.209 2.632 . 0 0 "[ . 1 . 2]" 1
207 1 15 CYS H 1 15 CYS HB2 3.000 . 4.000 3.823 3.699 3.964 . 0 0 "[ . 1 . 2]" 1
208 1 15 CYS H 1 16 GLY H 3.000 . 4.000 2.042 1.785 2.336 0.015 5 0 "[ . 1 . 2]" 1
209 1 17 ARG HA 1 17 ARG HB2 3.000 . 4.000 2.376 2.323 2.420 . 0 0 "[ . 1 . 2]" 1
210 1 17 ARG HA 1 18 ASP H 3.000 . 4.000 2.231 2.106 2.377 . 0 0 "[ . 1 . 2]" 1
211 1 15 CYS HB2 1 17 ARG HB3 3.000 . 4.000 4.039 3.920 4.081 0.081 10 0 "[ . 1 . 2]" 1
212 1 17 ARG HB2 1 17 ARG QD 3.000 . 4.000 2.469 2.211 2.893 . 0 0 "[ . 1 . 2]" 1
213 1 17 ARG QG 1 18 ASP H 3.000 . 4.000 2.442 2.067 2.835 . 0 0 "[ . 1 . 2]" 1
214 1 18 ASP HA 1 19 VAL H 3.000 . 4.000 2.117 2.042 2.238 . 0 0 "[ . 1 . 2]" 1
215 1 18 ASP H 1 18 ASP HB3 3.000 . 4.000 2.318 2.190 2.412 . 0 0 "[ . 1 . 2]" 1
216 1 19 VAL HB 1 24 LEU MD2 3.000 . 4.000 2.365 2.000 3.404 . 0 0 "[ . 1 . 2]" 1
217 1 18 ASP HB3 1 19 VAL MG2 3.000 . 4.000 4.181 4.152 4.210 0.210 17 0 "[ . 1 . 2]" 1
218 1 8 GLN HB3 1 20 SER HA 3.000 . 4.000 3.949 3.477 4.131 0.131 19 0 "[ . 1 . 2]" 1
219 1 21 ALA HA 1 24 LEU MD2 3.000 . 4.000 3.152 2.294 3.943 . 0 0 "[ . 1 . 2]" 1
220 1 21 ALA MB 1 22 ASN HB2 3.000 . 4.000 3.967 3.569 4.059 0.059 19 0 "[ . 1 . 2]" 1
221 1 23 ARG HA 1 23 ARG HB2 3.000 . 4.000 2.747 2.410 3.014 . 0 0 "[ . 1 . 2]" 1
222 1 23 ARG H 1 23 ARG HB3 3.000 . 4.000 3.070 2.391 3.758 . 0 0 "[ . 1 . 2]" 1
223 1 23 ARG HB3 1 23 ARG QD 3.000 . 4.000 2.897 2.325 3.532 . 0 0 "[ . 1 . 2]" 1
224 1 23 ARG HB2 1 23 ARG QD 3.000 . 4.000 2.577 2.201 3.312 . 0 0 "[ . 1 . 2]" 1
225 1 24 LEU HB3 1 24 LEU MD1 3.000 . 4.000 2.579 2.421 3.227 . 0 0 "[ . 1 . 2]" 1
226 1 14 ASN HB2 1 24 LEU MD1 3.000 . 4.000 4.183 4.152 4.256 0.256 9 0 "[ . 1 . 2]" 1
227 1 24 LEU HB2 1 24 LEU MD1 3.000 . 4.000 3.137 2.461 3.276 . 0 0 "[ . 1 . 2]" 1
228 1 10 ILE H 1 24 LEU MD2 3.000 . 4.000 3.724 3.210 4.025 0.025 19 0 "[ . 1 . 2]" 1
229 1 19 VAL H 1 24 LEU MD2 3.000 . 4.000 3.651 3.313 4.119 0.119 8 0 "[ . 1 . 2]" 1
230 1 23 ARG H 1 24 LEU H 3.000 . 4.000 2.187 1.948 2.360 . 0 0 "[ . 1 . 2]" 1
231 1 25 ALA H 1 25 ALA MB 3.000 . 4.000 2.267 2.233 2.308 . 0 0 "[ . 1 . 2]" 1
232 1 26 ALA MB 1 27 HIS HA 3.000 . 4.000 3.856 3.801 3.904 . 0 0 "[ . 1 . 2]" 1
233 1 27 HIS HA 1 30 ARG HB3 3.000 . 4.000 3.070 2.674 4.038 0.038 14 0 "[ . 1 . 2]" 1
234 1 28 LEU HB3 1 28 LEU MD1 3.000 . 4.000 2.248 2.098 2.352 . 0 0 "[ . 1 . 2]" 1
235 1 28 LEU HB3 1 28 LEU HG 3.000 . 4.000 2.507 2.410 2.566 . 0 0 "[ . 1 . 2]" 1
236 1 14 ASN HB2 1 28 LEU MD1 3.000 . 4.000 3.108 2.643 3.573 . 0 0 "[ . 1 . 2]" 1
237 1 24 LEU MD1 1 28 LEU MD2 3.000 . 4.000 1.848 1.790 2.068 0.010 18 0 "[ . 1 . 2]" 1
238 1 29 GLN H 1 29 GLN HB2 3.000 . 4.000 2.554 2.223 2.676 . 0 0 "[ . 1 . 2]" 1
239 1 26 ALA HA 1 29 GLN HG2 3.000 . 4.000 2.808 2.131 4.012 0.012 9 0 "[ . 1 . 2]" 1
240 1 30 ARG HA 1 30 ARG HB2 3.000 . 4.000 2.541 2.399 3.012 . 0 0 "[ . 1 . 2]" 1
241 1 30 ARG HA 1 30 ARG QG 3.000 . 4.000 2.557 2.227 2.979 . 0 0 "[ . 1 . 2]" 1
242 1 30 ARG HB3 1 30 ARG QD 3.000 . 4.000 3.006 2.359 3.527 . 0 0 "[ . 1 . 2]" 1
243 1 30 ARG HA 1 34 ARG QD 3.000 . 4.000 3.865 3.145 4.105 0.105 18 0 "[ . 1 . 2]" 1
244 1 34 ARG HB3 1 34 ARG QD 3.000 . 4.000 2.906 2.355 3.550 . 0 0 "[ . 1 . 2]" 1
245 1 36 ALA MB 1 38 ARG QG 6.000 . 7.000 5.189 2.540 6.822 . 0 0 "[ . 1 . 2]" 1
246 1 37 ARG HA 1 38 ARG H 6.000 . 7.000 2.822 2.067 3.580 . 0 0 "[ . 1 . 2]" 1
247 1 5 GLU HG3 1 6 SER H 6.000 . 7.000 4.468 3.085 5.200 . 0 0 "[ . 1 . 2]" 1
248 1 8 GLN HG3 1 9 TYR H 6.000 . 7.000 4.688 3.840 5.417 . 0 0 "[ . 1 . 2]" 1
249 1 8 GLN H 1 9 TYR HB3 6.000 . 7.000 5.749 4.946 6.830 . 0 0 "[ . 1 . 2]" 1
250 1 9 TYR HB2 1 21 ALA H 6.000 . 7.000 5.549 5.067 5.933 . 0 0 "[ . 1 . 2]" 1
251 1 8 GLN H 1 9 TYR QD 6.000 . 7.000 3.088 1.784 4.969 0.016 16 0 "[ . 1 . 2]" 1
252 1 9 TYR QD 1 19 VAL HA 6.000 . 7.000 2.450 1.951 3.067 . 0 0 "[ . 1 . 2]" 1
253 1 9 TYR QD 1 20 SER HB2 6.000 . 7.000 4.224 3.161 5.222 . 0 0 "[ . 1 . 2]" 1
254 1 9 TYR QD 1 21 ALA H 6.000 . 7.000 4.717 4.369 5.212 . 0 0 "[ . 1 . 2]" 1
255 1 9 TYR H 1 9 TYR QE 6.000 . 7.000 4.563 4.225 4.914 . 0 0 "[ . 1 . 2]" 1
256 1 9 TYR QE 1 18 ASP HB3 6.000 . 7.000 5.879 4.762 6.495 . 0 0 "[ . 1 . 2]" 1
257 1 9 TYR QE 1 19 VAL HA 6.000 . 7.000 3.870 2.963 4.699 . 0 0 "[ . 1 . 2]" 1
258 1 9 TYR QE 1 20 SER HA 6.000 . 7.000 4.262 3.842 4.753 . 0 0 "[ . 1 . 2]" 1
259 1 9 TYR QE 1 20 SER HB3 . . 5.000 4.677 4.182 5.005 0.005 5 0 "[ . 1 . 2]" 1
260 1 9 TYR QE 1 20 SER HB2 6.000 . 7.000 4.252 2.827 5.176 . 0 0 "[ . 1 . 2]" 1
261 1 9 TYR QE 1 20 SER H 6.000 . 7.000 3.467 3.156 3.815 . 0 0 "[ . 1 . 2]" 1
262 1 9 TYR QE 1 21 ALA H 6.000 . 7.000 6.020 5.640 6.459 . 0 0 "[ . 1 . 2]" 1
263 1 10 ILE MD 1 21 ALA H 6.000 . 7.000 5.040 2.908 5.964 . 0 0 "[ . 1 . 2]" 1
264 1 9 TYR H 1 10 ILE H . . 5.000 4.440 4.338 4.523 . 0 0 "[ . 1 . 2]" 1
265 1 10 ILE H 1 11 HIS H 6.000 . 7.000 4.290 4.177 4.377 . 0 0 "[ . 1 . 2]" 1
266 1 10 ILE H 1 19 VAL HA 6.000 . 7.000 4.530 4.410 4.602 . 0 0 "[ . 1 . 2]" 1
267 1 10 ILE H 1 21 ALA H . . 5.000 3.570 3.251 3.816 . 0 0 "[ . 1 . 2]" 1
268 1 12 CYS HB2 1 15 CYS H . . 5.000 4.242 4.066 4.422 . 0 0 "[ . 1 . 2]" 1
269 1 12 CYS HB2 1 16 GLY H . . 5.000 4.874 4.606 5.009 0.009 19 0 "[ . 1 . 2]" 1
270 1 12 CYS H 1 13 GLU H . . 5.000 4.416 4.365 4.479 . 0 0 "[ . 1 . 2]" 1
271 1 12 CYS H 1 16 GLY H 6.000 . 7.000 4.767 4.567 4.982 . 0 0 "[ . 1 . 2]" 1
272 1 12 CYS H 1 18 ASP H 6.000 . 7.000 4.574 4.212 4.794 . 0 0 "[ . 1 . 2]" 1
273 1 12 CYS H 1 19 VAL H . . 5.000 3.412 3.195 3.524 . 0 0 "[ . 1 . 2]" 1
274 1 13 GLU H 1 16 GLY HA2 6.000 . 7.000 5.179 4.984 5.440 . 0 0 "[ . 1 . 2]" 1
275 1 14 ASN HB3 1 32 LEU MD2 . . 4.000 3.571 2.013 4.159 0.159 9 0 "[ . 1 . 2]" 1
276 1 15 CYS HB2 1 16 GLY H . . 5.000 4.322 4.117 4.406 . 0 0 "[ . 1 . 2]" 1
277 1 12 CYS HB2 1 17 ARG HB3 6.000 . 7.000 3.902 3.416 4.191 . 0 0 "[ . 1 . 2]" 1
278 1 17 ARG HB2 1 19 VAL MG2 6.000 . 7.000 3.939 3.778 4.154 . 0 0 "[ . 1 . 2]" 1
279 1 17 ARG QD 1 18 ASP H . . 5.000 3.747 1.919 4.609 . 0 0 "[ . 1 . 2]" 1
280 1 17 ARG QD 1 19 VAL MG1 6.000 . 7.000 4.987 4.172 6.095 . 0 0 "[ . 1 . 2]" 1
281 1 12 CYS H 1 17 ARG H . . 5.000 2.938 2.634 3.195 . 0 0 "[ . 1 . 2]" 1
282 1 17 ARG H 1 18 ASP H . . 5.000 4.438 4.342 4.508 . 0 0 "[ . 1 . 2]" 1
283 1 9 TYR QD 1 18 ASP HB2 6.000 . 7.000 5.536 4.474 6.031 . 0 0 "[ . 1 . 2]" 1
284 1 17 ARG HA 1 18 ASP HB2 6.000 . 7.000 4.304 4.088 4.467 . 0 0 "[ . 1 . 2]" 1
285 1 19 VAL HB 1 27 HIS HD2 6.000 . 7.000 4.299 4.048 4.641 . 0 0 "[ . 1 . 2]" 1
286 1 10 ILE H 1 19 VAL MG1 6.000 . 7.000 4.802 4.686 4.936 . 0 0 "[ . 1 . 2]" 1
287 1 19 VAL MG1 1 20 SER HB3 6.000 . 7.000 4.059 2.979 4.661 . 0 0 "[ . 1 . 2]" 1
288 1 19 VAL MG1 1 23 ARG QG 6.000 . 7.000 3.994 2.772 4.962 . 0 0 "[ . 1 . 2]" 1
289 1 19 VAL MG1 1 23 ARG H . . 5.000 4.218 3.736 4.753 . 0 0 "[ . 1 . 2]" 1
290 1 19 VAL MG1 1 24 LEU HB3 6.000 . 7.000 5.168 4.308 5.713 . 0 0 "[ . 1 . 2]" 1
291 1 19 VAL MG1 1 24 LEU MD1 6.000 . 7.000 4.030 2.590 4.822 . 0 0 "[ . 1 . 2]" 1
292 1 19 VAL MG1 1 24 LEU H . . 5.000 4.162 3.147 4.837 . 0 0 "[ . 1 . 2]" 1
293 1 19 VAL MG1 1 25 ALA H 6.000 . 7.000 5.710 5.068 6.132 . 0 0 "[ . 1 . 2]" 1
294 1 19 VAL MG1 1 27 HIS HD2 6.000 . 7.000 3.688 3.272 4.127 . 0 0 "[ . 1 . 2]" 1
295 1 19 VAL MG1 1 27 HIS H . . 5.000 4.631 4.299 4.832 . 0 0 "[ . 1 . 2]" 1
296 1 19 VAL MG1 1 28 LEU H 6.000 . 7.000 5.295 4.911 5.537 . 0 0 "[ . 1 . 2]" 1
297 1 12 CYS H 1 19 VAL MG2 . . 5.000 3.699 3.464 3.974 . 0 0 "[ . 1 . 2]" 1
298 1 17 ARG H 1 19 VAL MG2 6.000 . 7.000 4.040 3.833 4.365 . 0 0 "[ . 1 . 2]" 1
299 1 19 VAL MG2 1 24 LEU HA 6.000 . 7.000 4.844 4.272 5.143 . 0 0 "[ . 1 . 2]" 1
300 1 19 VAL MG2 1 27 HIS HD1 6.000 . 7.000 3.525 3.299 3.779 . 0 0 "[ . 1 . 2]" 1
301 1 19 VAL MG2 1 27 HIS H 6.000 . 7.000 6.523 6.094 6.780 . 0 0 "[ . 1 . 2]" 1
302 1 19 VAL H 1 20 SER H 6.000 . 7.000 4.445 4.383 4.533 . 0 0 "[ . 1 . 2]" 1
303 1 9 TYR HB3 1 20 SER HA 6.000 . 7.000 3.774 3.618 4.138 . 0 0 "[ . 1 . 2]" 1
304 1 20 SER HA 1 23 ARG H 6.000 . 7.000 4.356 4.176 4.549 . 0 0 "[ . 1 . 2]" 1
305 1 19 VAL HA 1 20 SER HB3 6.000 . 7.000 5.351 4.432 5.768 . 0 0 "[ . 1 . 2]" 1
306 1 20 SER HB3 1 23 ARG H 6.000 . 7.000 3.156 2.700 3.610 . 0 0 "[ . 1 . 2]" 1
307 1 20 SER HB2 1 21 ALA H 6.000 . 7.000 4.152 4.026 4.342 . 0 0 "[ . 1 . 2]" 1
308 1 20 SER HB2 1 23 ARG HB2 6.000 . 7.000 2.854 1.914 4.159 . 0 0 "[ . 1 . 2]" 1
309 1 20 SER HB2 1 23 ARG QD 6.000 . 7.000 3.853 2.071 6.307 . 0 0 "[ . 1 . 2]" 1
310 1 20 SER HB2 1 23 ARG H . . 5.000 3.423 2.625 4.373 . 0 0 "[ . 1 . 2]" 1
311 1 10 ILE H 1 20 SER H 6.000 . 7.000 4.654 4.434 4.787 . 0 0 "[ . 1 . 2]" 1
312 1 20 SER H 1 21 ALA H . . 5.000 4.473 4.375 4.529 . 0 0 "[ . 1 . 2]" 1
313 1 20 SER H 1 23 ARG H 6.000 . 7.000 4.818 4.533 5.255 . 0 0 "[ . 1 . 2]" 1
314 1 10 ILE H 1 21 ALA HA 6.000 . 7.000 4.035 3.381 4.527 . 0 0 "[ . 1 . 2]" 1
315 1 21 ALA HA 1 23 ARG H 6.000 . 7.000 3.915 3.557 4.266 . 0 0 "[ . 1 . 2]" 1
316 1 21 ALA HA 1 24 LEU H 6.000 . 7.000 3.506 3.240 3.873 . 0 0 "[ . 1 . 2]" 1
317 1 8 GLN HG3 1 21 ALA MB 6.000 . 7.000 5.073 2.013 6.064 . 0 0 "[ . 1 . 2]" 1
318 1 10 ILE H 1 21 ALA MB 6.000 . 7.000 3.737 3.344 4.190 . 0 0 "[ . 1 . 2]" 1
319 1 21 ALA MB 1 22 ASN H 6.000 . 7.000 2.596 2.295 3.010 . 0 0 "[ . 1 . 2]" 1
320 1 21 ALA MB 1 23 ARG H 6.000 . 7.000 4.296 4.139 4.515 . 0 0 "[ . 1 . 2]" 1
321 1 21 ALA MB 1 24 LEU HB3 6.000 . 7.000 4.759 4.171 5.190 . 0 0 "[ . 1 . 2]" 1
322 1 21 ALA MB 1 24 LEU H 6.000 . 7.000 4.543 4.438 4.694 . 0 0 "[ . 1 . 2]" 1
323 1 21 ALA MB 1 25 ALA H 6.000 . 7.000 6.072 5.721 6.470 . 0 0 "[ . 1 . 2]" 1
324 1 9 TYR HB3 1 21 ALA H 6.000 . 7.000 4.908 4.451 5.352 . 0 0 "[ . 1 . 2]" 1
325 1 10 ILE HG12 1 21 ALA H 6.000 . 7.000 6.120 3.497 6.628 . 0 0 "[ . 1 . 2]" 1
326 1 21 ALA H 1 23 ARG H 6.000 . 7.000 3.999 3.837 4.114 . 0 0 "[ . 1 . 2]" 1
327 1 22 ASN H 1 23 ARG H 6.000 . 7.000 2.483 2.231 2.661 . 0 0 "[ . 1 . 2]" 1
328 1 20 SER HB3 1 23 ARG HB3 6.000 . 7.000 3.763 1.857 5.371 . 0 0 "[ . 1 . 2]" 1
329 1 20 SER H 1 23 ARG HB2 6.000 . 7.000 4.332 3.579 5.841 . 0 0 "[ . 1 . 2]" 1
330 1 20 SER H 1 23 ARG QD 6.000 . 7.000 5.185 3.547 6.598 . 0 0 "[ . 1 . 2]" 1
331 1 23 ARG H 1 23 ARG QD . . 5.000 4.115 2.342 4.924 . 0 0 "[ . 1 . 2]" 1
332 1 20 SER HB3 1 23 ARG QG 6.000 . 7.000 3.816 2.649 5.221 . 0 0 "[ . 1 . 2]" 1
333 1 20 SER H 1 23 ARG QG 6.000 . 7.000 4.934 4.246 5.934 . 0 0 "[ . 1 . 2]" 1
334 1 23 ARG QG 1 24 LEU H 6.000 . 7.000 4.395 4.054 4.941 . 0 0 "[ . 1 . 2]" 1
335 1 23 ARG QG 1 26 ALA H 6.000 . 7.000 4.960 3.697 6.106 . 0 0 "[ . 1 . 2]" 1
336 1 23 ARG QG 1 27 HIS HA 6.000 . 7.000 5.531 3.848 7.007 0.007 3 0 "[ . 1 . 2]" 1
337 1 23 ARG H 1 25 ALA H 6.000 . 7.000 4.581 4.338 4.818 . 0 0 "[ . 1 . 2]" 1
338 1 23 ARG H 1 24 LEU HB3 6.000 . 7.000 4.898 4.571 5.487 . 0 0 "[ . 1 . 2]" 1
339 1 21 ALA H 1 24 LEU HB2 6.000 . 7.000 4.737 4.409 5.058 . 0 0 "[ . 1 . 2]" 1
340 1 10 ILE H 1 24 LEU MD1 6.000 . 7.000 6.009 4.984 6.479 . 0 0 "[ . 1 . 2]" 1
341 1 19 VAL MG2 1 24 LEU MD1 6.000 . 7.000 4.487 2.981 5.177 . 0 0 "[ . 1 . 2]" 1
342 1 24 LEU MD1 1 27 HIS HB2 6.000 . 7.000 4.504 3.596 5.030 . 0 0 "[ . 1 . 2]" 1
343 1 24 LEU MD1 1 27 HIS H 6.000 . 7.000 4.661 4.398 4.887 . 0 0 "[ . 1 . 2]" 1
344 1 22 ASN HB2 1 24 LEU H 6.000 . 7.000 5.617 5.457 5.715 . 0 0 "[ . 1 . 2]" 1
345 1 22 ASN H 1 24 LEU H 6.000 . 7.000 3.933 3.613 4.172 . 0 0 "[ . 1 . 2]" 1
346 1 24 LEU H 1 26 ALA H 6.000 . 7.000 4.646 4.213 4.994 . 0 0 "[ . 1 . 2]" 1
347 1 24 LEU H 1 27 HIS H 6.000 . 7.000 4.716 4.537 4.834 . 0 0 "[ . 1 . 2]" 1
348 1 25 ALA HA 1 26 ALA H 6.000 . 7.000 3.581 3.538 3.616 . 0 0 "[ . 1 . 2]" 1
349 1 25 ALA HA 1 28 LEU HG 6.000 . 7.000 4.448 3.938 4.796 . 0 0 "[ . 1 . 2]" 1
350 1 24 LEU HA 1 25 ALA H 6.000 . 7.000 3.475 3.395 3.522 . 0 0 "[ . 1 . 2]" 1
351 1 25 ALA H 1 28 LEU H 6.000 . 7.000 4.419 4.298 4.514 . 0 0 "[ . 1 . 2]" 1
352 1 26 ALA HA 1 27 HIS H 6.000 . 7.000 3.461 3.431 3.482 . 0 0 "[ . 1 . 2]" 1
353 1 26 ALA MB 1 28 LEU H 6.000 . 7.000 4.523 4.416 4.616 . 0 0 "[ . 1 . 2]" 1
354 1 26 ALA H 1 28 LEU H 6.000 . 7.000 4.019 3.837 4.166 . 0 0 "[ . 1 . 2]" 1
355 1 26 ALA H 1 29 GLN H . . 5.000 4.673 4.583 4.745 . 0 0 "[ . 1 . 2]" 1
356 1 26 ALA H 1 27 HIS HB3 6.000 . 7.000 4.494 4.403 4.641 . 0 0 "[ . 1 . 2]" 1
357 1 12 CYS HA 1 27 HIS HD2 6.000 . 7.000 5.116 4.914 5.329 . 0 0 "[ . 1 . 2]" 1
358 1 25 ALA HA 1 27 HIS H 6.000 . 7.000 4.448 4.288 4.561 . 0 0 "[ . 1 . 2]" 1
359 1 27 HIS H 1 28 LEU HB2 6.000 . 7.000 4.638 4.551 4.750 . 0 0 "[ . 1 . 2]" 1
360 1 27 HIS H 1 29 GLN H . . 4.000 4.040 4.012 4.073 0.073 17 0 "[ . 1 . 2]" 1
361 1 28 LEU HB2 1 29 GLN HE21 6.000 . 7.000 3.797 3.232 4.295 . 0 0 "[ . 1 . 2]" 1
362 1 14 ASN HB3 1 28 LEU MD1 6.000 . 7.000 3.185 2.992 3.451 . 0 0 "[ . 1 . 2]" 1
363 1 14 ASN H 1 28 LEU MD1 6.000 . 7.000 4.841 4.522 5.306 . 0 0 "[ . 1 . 2]" 1
364 1 28 LEU MD1 1 29 GLN HE21 6.000 . 7.000 4.065 3.752 4.546 . 0 0 "[ . 1 . 2]" 1
365 1 28 LEU MD1 1 31 CYS H . . 5.000 4.348 4.190 4.533 . 0 0 "[ . 1 . 2]" 1
366 1 28 LEU MD1 1 32 LEU H . . 4.000 3.173 2.698 3.423 . 0 0 "[ . 1 . 2]" 1
367 1 14 ASN HB3 1 28 LEU MD2 6.000 . 7.000 3.249 2.687 4.063 . 0 0 "[ . 1 . 2]" 1
368 1 14 ASN H 1 28 LEU MD2 6.000 . 7.000 3.603 3.237 4.033 . 0 0 "[ . 1 . 2]" 1
369 1 27 HIS H 1 28 LEU MD2 6.000 . 7.000 5.147 4.917 5.330 . 0 0 "[ . 1 . 2]" 1
370 1 28 LEU MD2 1 29 GLN H 6.000 . 7.000 4.567 4.455 4.636 . 0 0 "[ . 1 . 2]" 1
371 1 28 LEU MD2 1 32 LEU H 6.000 . 7.000 4.484 4.174 4.962 . 0 0 "[ . 1 . 2]" 1
372 1 28 LEU H 1 30 ARG H 6.000 . 7.000 4.135 4.006 4.239 . 0 0 "[ . 1 . 2]" 1
373 1 28 LEU H 1 31 CYS HB3 6.000 . 7.000 4.617 4.518 4.734 . 0 0 "[ . 1 . 2]" 1
374 1 29 GLN HA 1 30 ARG H . . 5.000 3.527 3.488 3.568 . 0 0 "[ . 1 . 2]" 1
375 1 25 ALA HA 1 29 GLN HE21 6.000 . 7.000 4.321 3.554 5.169 . 0 0 "[ . 1 . 2]" 1
376 1 29 GLN H 1 31 CYS HB3 6.000 . 7.000 4.904 4.735 5.062 . 0 0 "[ . 1 . 2]" 1
377 1 29 GLN H 1 31 CYS H . . 5.000 4.007 3.785 4.191 . 0 0 "[ . 1 . 2]" 1
378 1 30 ARG HB2 1 31 CYS H 6.000 . 7.000 3.647 2.358 3.902 . 0 0 "[ . 1 . 2]" 1
379 1 30 ARG HA 1 30 ARG QD . . 4.000 3.346 2.021 4.130 0.130 3 0 "[ . 1 . 2]" 1
380 1 30 ARG HE 1 31 CYS H 6.000 . 7.000 5.323 4.172 6.909 . 0 0 "[ . 1 . 2]" 1
381 1 30 ARG QG 1 31 CYS H 6.000 . 7.000 3.720 3.352 4.612 . 0 0 "[ . 1 . 2]" 1
382 1 29 GLN HG3 1 30 ARG H 6.000 . 7.000 4.987 4.791 5.162 . 0 0 "[ . 1 . 2]" 1
383 1 30 ARG H 1 32 LEU H . . 5.000 4.089 3.875 4.441 . 0 0 "[ . 1 . 2]" 1
384 1 30 ARG HB3 1 31 CYS HA 6.000 . 7.000 4.154 3.913 4.343 . 0 0 "[ . 1 . 2]" 1
385 1 27 HIS HE1 1 31 CYS HB3 6.000 . 7.000 5.441 5.308 5.541 . 0 0 "[ . 1 . 2]" 1
386 1 31 CYS HB2 1 32 LEU H . . 4.000 3.755 3.596 3.977 . 0 0 "[ . 1 . 2]" 1
387 1 31 CYS H 1 33 SER H 6.000 . 7.000 4.166 3.905 4.385 . 0 0 "[ . 1 . 2]" 1
388 1 14 ASN H 1 32 LEU MD2 6.000 . 7.000 6.176 4.974 6.687 . 0 0 "[ . 1 . 2]" 1
389 1 32 LEU MD2 1 33 SER H . . 5.000 4.741 4.536 4.839 . 0 0 "[ . 1 . 2]" 1
390 1 14 ASN HB2 1 32 LEU H 6.000 . 7.000 6.195 5.879 6.601 . 0 0 "[ . 1 . 2]" 1
391 1 33 SER H 1 34 ARG H . . 5.000 2.638 2.434 2.818 . 0 0 "[ . 1 . 2]" 1
392 1 33 SER H 1 34 ARG HG2 6.000 . 7.000 6.045 4.934 6.662 . 0 0 "[ . 1 . 2]" 1
393 1 34 ARG H 1 34 ARG HG2 . . 5.000 3.932 3.601 4.322 . 0 0 "[ . 1 . 2]" 1
394 1 34 ARG H 1 35 GLY H 6.000 . 7.000 3.032 2.230 4.430 . 0 0 "[ . 1 . 2]" 1
395 1 7 SER HB3 1 8 GLN H 6.000 . 7.000 3.813 1.902 4.539 . 0 0 "[ . 1 . 2]" 1
396 1 10 ILE MD 1 21 ALA MB 4.000 . 4.000 3.302 1.989 4.058 0.058 19 0 "[ . 1 . 2]" 1
397 1 14 ASN HA 1 15 CYS H 4.000 . 5.000 3.508 3.354 3.631 . 0 0 "[ . 1 . 2]" 1
398 1 17 ARG HA 1 17 ARG QD 4.000 . 4.000 3.493 2.112 4.136 0.136 17 0 "[ . 1 . 2]" 1
399 1 9 TYR HB2 1 18 ASP HB2 4.000 . 5.000 5.065 5.005 5.132 0.132 2 0 "[ . 1 . 2]" 1
400 1 19 VAL MG1 1 23 ARG HB3 4.000 . 5.000 3.318 2.227 4.020 . 0 0 "[ . 1 . 2]" 1
401 1 8 GLN HG2 1 21 ALA MB 4.000 . 5.000 4.202 2.067 5.043 0.043 18 0 "[ . 1 . 2]" 1
402 1 25 ALA HA 1 29 GLN H 4.000 . 5.000 4.336 4.166 4.445 . 0 0 "[ . 1 . 2]" 1
403 1 4 GLN QB 1 6 SER H 6.000 . 7.000 4.518 2.129 6.278 . 0 0 "[ . 1 . 2]" 1
404 1 10 ILE HB 1 10 ILE HG13 3.000 . 4.000 2.875 2.432 3.021 . 0 0 "[ . 1 . 2]" 1
405 1 10 ILE HG12 1 21 ALA MB 3.000 . 4.000 4.014 2.653 4.728 0.728 8 2 "[ - + 1 . 2]" 1
406 1 9 TYR HA 1 10 ILE H 3.000 . 4.000 2.217 2.121 2.305 . 0 0 "[ . 1 . 2]" 1
407 1 10 ILE H 1 10 ILE MD 3.000 . 4.000 3.692 1.857 4.176 0.176 7 0 "[ . 1 . 2]" 1
408 1 11 HIS HA 1 11 HIS HB2 3.000 . 4.000 2.440 2.329 2.569 . 0 0 "[ . 1 . 2]" 1
409 1 11 HIS HA 1 12 CYS H 3.000 . 4.000 2.129 2.044 2.216 . 0 0 "[ . 1 . 2]" 1
410 1 17 ARG HB3 1 17 ARG QD 3.000 . 4.000 2.806 2.268 3.525 . 0 0 "[ . 1 . 2]" 1
411 1 23 ARG HA 1 23 ARG QD 3.000 . 4.000 3.100 1.969 4.117 0.117 5 0 "[ . 1 . 2]" 1
412 1 28 LEU HB3 1 32 LEU HB2 3.000 . 4.000 4.073 4.028 4.174 0.174 13 0 "[ . 1 . 2]" 1
413 1 28 LEU MD1 1 31 CYS HB2 3.000 . 4.000 3.921 3.719 4.017 0.017 13 0 "[ . 1 . 2]" 1
414 1 33 SER HA 1 33 SER HB3 3.000 . 4.000 2.835 2.386 3.050 . 0 0 "[ . 1 . 2]" 1
415 1 33 SER HB3 1 34 ARG HG3 3.000 . 4.000 3.553 3.000 4.105 0.105 16 0 "[ . 1 . 2]" 1
416 1 34 ARG H 1 34 ARG HG3 3.000 . 4.000 2.785 2.325 3.694 . 0 0 "[ . 1 . 2]" 1
417 1 3 GLN HG2 1 4 GLN H 6.000 . 7.000 4.450 3.058 5.199 . 0 0 "[ . 1 . 2]" 1
418 1 5 GLU HA 1 6 SER H 6.000 . 7.000 2.870 2.085 3.552 . 0 0 "[ . 1 . 2]" 1
419 1 11 HIS HD2 1 13 GLU HA 6.000 . 7.000 4.567 2.749 7.005 0.005 15 0 "[ . 1 . 2]" 1
420 1 12 CYS HB2 1 17 ARG HA 6.000 . 7.000 5.558 5.365 5.645 . 0 0 "[ . 1 . 2]" 1
421 1 13 GLU HA 1 14 ASN HA 6.000 . 7.000 4.573 4.466 4.666 . 0 0 "[ . 1 . 2]" 1
422 1 13 GLU HA 1 16 GLY H 6.000 . 7.000 3.396 2.877 3.787 . 0 0 "[ . 1 . 2]" 1
423 1 16 GLY HA3 1 17 ARG HA 6.000 . 7.000 4.439 4.399 4.474 . 0 0 "[ . 1 . 2]" 1
424 1 17 ARG HB3 1 19 VAL MG2 6.000 . 7.000 2.748 2.501 3.040 . 0 0 "[ . 1 . 2]" 1
425 1 9 TYR HB2 1 20 SER HA 6.000 . 7.000 4.632 4.429 4.931 . 0 0 "[ . 1 . 2]" 1
426 1 10 ILE MD 1 21 ALA HA 6.000 . 7.000 4.409 1.908 5.936 . 0 0 "[ . 1 . 2]" 1
427 1 10 ILE HG13 1 21 ALA HA 6.000 . 7.000 5.210 4.027 6.184 . 0 0 "[ . 1 . 2]" 1
428 1 22 ASN HB3 1 23 ARG HB2 6.000 . 7.000 4.151 3.467 4.750 . 0 0 "[ . 1 . 2]" 1
429 1 22 ASN HA 1 23 ARG H . . 5.000 3.412 3.331 3.507 . 0 0 "[ . 1 . 2]" 1
430 1 23 ARG HA 1 24 LEU H . . 5.000 3.262 3.127 3.473 . 0 0 "[ . 1 . 2]" 1
431 1 24 LEU HB2 1 25 ALA H 6.000 . 7.000 3.691 3.137 4.280 . 0 0 "[ . 1 . 2]" 1
432 1 27 HIS HD2 1 28 LEU MD1 6.000 . 7.000 4.512 4.148 4.751 . 0 0 "[ . 1 . 2]" 1
433 1 28 LEU HA 1 32 LEU HB2 6.000 . 7.000 4.130 3.893 4.518 . 0 0 "[ . 1 . 2]" 1
434 1 24 LEU HA 1 28 LEU H 6.000 . 7.000 3.783 3.624 3.901 . 0 0 "[ . 1 . 2]" 1
435 1 29 GLN H 1 29 GLN HG3 . . 4.000 3.780 3.649 4.044 0.044 1 0 "[ . 1 . 2]" 1
436 1 29 GLN H 1 32 LEU HB2 6.000 . 7.000 5.213 4.953 5.731 . 0 0 "[ . 1 . 2]" 1
437 1 31 CYS HB3 1 32 LEU HB2 6.000 . 7.000 3.749 3.507 4.349 . 0 0 "[ . 1 . 2]" 1
438 1 32 LEU HB3 1 33 SER HB3 6.000 . 7.000 5.497 4.284 6.378 . 0 0 "[ . 1 . 2]" 1
439 1 34 ARG HA 1 35 GLY HA3 6.000 . 7.000 4.724 4.361 5.281 . 0 0 "[ . 1 . 2]" 1
440 1 33 SER HB3 1 34 ARG QD 6.000 . 7.000 4.823 1.912 5.845 . 0 0 "[ . 1 . 2]" 1
441 1 4 GLN QB 1 5 GLU H 6.000 . 7.000 2.922 2.067 3.971 . 0 0 "[ . 1 . 2]" 1
442 1 4 GLN H 1 4 GLN HE22 6.000 . 7.000 5.603 3.787 6.720 . 0 0 "[ . 1 . 2]" 1
443 1 4 GLN HE22 1 5 GLU H 6.000 . 7.000 6.035 4.042 7.046 0.046 15 0 "[ . 1 . 2]" 1
444 1 7 SER HB2 1 8 GLN H 6.000 . 7.000 3.752 2.475 4.583 . 0 0 "[ . 1 . 2]" 1
445 1 8 GLN HA 1 21 ALA H 4.000 . 5.000 4.314 3.707 4.860 . 0 0 "[ . 1 . 2]" 1
446 1 8 GLN H 1 9 TYR H 6.000 . 7.000 2.643 1.952 4.132 . 0 0 "[ . 1 . 2]" 1
447 1 9 TYR HA 1 21 ALA H 4.000 . 5.000 2.565 2.060 3.005 . 0 0 "[ . 1 . 2]" 1
448 1 9 TYR HA 1 22 ASN H 4.000 . 5.000 5.039 4.835 5.174 0.174 8 0 "[ . 1 . 2]" 1
449 1 10 ILE H 1 10 ILE HB 4.000 . 5.000 3.230 2.763 3.966 . 0 0 "[ . 1 . 2]" 1
450 1 10 ILE HB 1 11 HIS H 4.000 . 5.000 3.605 2.139 4.206 . 0 0 "[ . 1 . 2]" 1
451 1 11 HIS HD1 1 17 ARG H 4.000 . 5.000 5.011 4.850 5.076 0.076 5 0 "[ . 1 . 2]" 1
452 1 12 CYS HA 1 14 ASN H 4.000 . 5.000 3.403 3.258 3.515 . 0 0 "[ . 1 . 2]" 1
453 1 12 CYS HA 1 16 GLY H 4.000 . 5.000 4.945 4.797 5.054 0.054 19 0 "[ . 1 . 2]" 1
454 1 13 GLU HA 1 14 ASN H 4.000 . 5.000 3.202 2.956 3.332 . 0 0 "[ . 1 . 2]" 1
455 1 13 GLU H 1 13 GLU QG 4.000 . 5.000 2.579 1.958 4.030 . 0 0 "[ . 1 . 2]" 1
456 1 14 ASN HB3 1 15 CYS H 4.000 . 5.000 3.510 2.330 4.061 . 0 0 "[ . 1 . 2]" 1
457 1 15 CYS HA 1 16 GLY H 4.000 . 5.000 3.212 3.127 3.350 . 0 0 "[ . 1 . 2]" 1
458 1 16 GLY H 1 17 ARG HB3 4.000 . 5.000 4.689 4.522 4.874 . 0 0 "[ . 1 . 2]" 1
459 1 12 CYS H 1 18 ASP HA 4.000 . 5.000 3.441 3.116 3.741 . 0 0 "[ . 1 . 2]" 1
460 1 18 ASP H 1 19 VAL H 4.000 . 4.000 4.138 4.074 4.189 0.189 10 0 "[ . 1 . 2]" 1
461 1 21 ALA H 1 22 ASN H 4.000 . 5.000 2.608 2.404 2.786 . 0 0 "[ . 1 . 2]" 1
462 1 22 ASN HB3 1 24 LEU H 4.000 . 5.000 4.975 4.775 5.068 0.068 1 0 "[ . 1 . 2]" 1
463 1 23 ARG HA 1 26 ALA H 4.000 . 5.000 3.742 3.370 4.040 . 0 0 "[ . 1 . 2]" 1
464 1 20 SER H 1 23 ARG HB3 4.000 . 5.000 4.415 3.412 5.076 0.076 13 0 "[ . 1 . 2]" 1
465 1 12 CYS H 1 24 LEU MD2 4.000 . 5.000 3.736 3.421 4.094 . 0 0 "[ . 1 . 2]" 1
466 1 24 LEU HG 1 25 ALA H 4.000 . 5.000 4.973 4.363 5.096 0.096 16 0 "[ . 1 . 2]" 1
467 1 25 ALA H 1 27 HIS H 4.000 . 5.000 3.937 3.684 4.084 . 0 0 "[ . 1 . 2]" 1
468 1 28 LEU HB3 1 29 GLN H 4.000 . 5.000 2.993 2.891 3.090 . 0 0 "[ . 1 . 2]" 1
469 1 30 ARG QD 1 31 CYS H 4.000 . 5.000 4.821 4.347 5.068 0.068 8 0 "[ . 1 . 2]" 1
470 1 33 SER HB2 1 34 ARG H 4.000 . 5.000 3.707 2.764 4.362 . 0 0 "[ . 1 . 2]" 1
471 1 34 ARG HA 1 35 GLY H 6.000 . 7.000 2.980 2.289 3.565 . 0 0 "[ . 1 . 2]" 1
472 1 34 ARG HB3 1 35 GLY H 6.000 . 7.000 3.653 1.787 4.671 0.013 10 0 "[ . 1 . 2]" 1
473 1 34 ARG H 1 34 ARG QD 4.000 . 5.000 3.759 2.250 4.321 . 0 0 "[ . 1 . 2]" 1
474 1 34 ARG HG2 1 35 GLY H 6.000 . 7.000 4.888 3.736 5.627 . 0 0 "[ . 1 . 2]" 1
475 1 9 TYR HA 1 20 SER H 3.000 . 4.000 3.851 3.264 4.057 0.057 17 0 "[ . 1 . 2]" 1
476 1 10 ILE MD 1 11 HIS H 3.000 . 4.000 2.795 1.984 4.090 0.090 8 0 "[ . 1 . 2]" 1
477 1 10 ILE HG13 1 11 HIS H 3.000 . 4.000 2.614 1.975 4.158 0.158 5 0 "[ . 1 . 2]" 1
478 1 12 CYS H 1 14 ASN H 4.000 . 5.000 5.078 5.019 5.128 0.128 1 0 "[ . 1 . 2]" 1
479 1 13 GLU H 1 14 ASN HB2 3.000 . 4.000 3.920 3.734 4.033 0.033 14 0 "[ . 1 . 2]" 1
480 1 14 ASN HB2 1 15 CYS H 3.000 . 4.000 3.071 2.532 3.589 . 0 0 "[ . 1 . 2]" 1
481 1 13 GLU H 1 28 LEU MD2 3.000 . 4.000 3.987 3.668 4.121 0.121 6 0 "[ . 1 . 2]" 1
482 1 29 GLN H 1 29 GLN HE21 3.000 . 4.000 2.749 2.380 3.153 . 0 0 "[ . 1 . 2]" 1
483 1 30 ARG H 1 31 CYS H 3.000 . 4.000 2.479 2.434 2.528 . 0 0 "[ . 1 . 2]" 1
484 1 35 GLY H 1 36 ALA H 6.000 . 7.000 3.202 2.006 4.567 . 0 0 "[ . 1 . 2]" 1
485 1 11 HIS HE1 1 16 GLY H 6.000 . 7.000 5.813 4.523 6.998 . 0 0 "[ . 1 . 2]" 1
486 1 12 CYS HA 1 15 CYS H 6.000 . 7.000 4.717 4.531 4.920 . 0 0 "[ . 1 . 2]" 1
487 1 11 HIS H 1 12 CYS H 6.000 . 7.000 4.398 4.337 4.465 . 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 22
_Distance_constraint_stats_list.Viol_count 88
_Distance_constraint_stats_list.Viol_total 90.472
_Distance_constraint_stats_list.Viol_max 0.140
_Distance_constraint_stats_list.Viol_rms 0.0264
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0103
_Distance_constraint_stats_list.Viol_average_violations_only 0.0514
_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 8 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ILE 0.014 0.007 13 0 "[ . 1 . 2]"
1 12 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 VAL 0.014 0.007 13 0 "[ . 1 . 2]"
1 21 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ARG 0.058 0.029 18 0 "[ . 1 . 2]"
1 24 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ALA 1.143 0.094 17 0 "[ . 1 . 2]"
1 26 ALA 2.500 0.140 4 0 "[ . 1 . 2]"
1 27 HIS 0.058 0.029 18 0 "[ . 1 . 2]"
1 28 LEU 0.002 0.002 10 0 "[ . 1 . 2]"
1 29 GLN 1.949 0.094 17 0 "[ . 1 . 2]"
1 30 ARG 2.500 0.140 4 0 "[ . 1 . 2]"
1 31 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 LEU 0.002 0.002 10 0 "[ . 1 . 2]"
1 33 SER 0.806 0.089 1 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 23 ARG O 1 27 HIS H 1.700 . 2.000 1.923 1.761 2.029 0.029 18 0 "[ . 1 . 2]" 2
2 1 23 ARG O 1 27 HIS N 2.700 2.200 3.000 2.848 2.706 2.976 . 0 0 "[ . 1 . 2]" 2
3 1 24 LEU O 1 28 LEU H 1.700 . 2.000 1.792 1.704 1.969 . 0 0 "[ . 1 . 2]" 2
4 1 24 LEU O 1 28 LEU N 2.700 2.200 3.000 2.660 2.606 2.822 . 0 0 "[ . 1 . 2]" 2
5 1 25 ALA O 1 29 GLN H 1.700 . 2.000 2.057 2.019 2.094 0.094 17 0 "[ . 1 . 2]" 2
6 1 25 ALA O 1 29 GLN N 2.700 2.200 3.000 2.955 2.882 3.002 0.002 8 0 "[ . 1 . 2]" 2
7 1 26 ALA O 1 30 ARG H 1.700 . 2.000 2.101 2.067 2.140 0.140 4 0 "[ . 1 . 2]" 2
8 1 26 ALA O 1 30 ARG N 2.700 2.200 3.000 3.024 2.996 3.074 0.074 1 0 "[ . 1 . 2]" 2
9 1 27 HIS O 1 31 CYS H 1.700 . 2.000 1.648 1.609 1.727 . 0 0 "[ . 1 . 2]" 2
10 1 27 HIS O 1 31 CYS N 2.700 2.200 3.000 2.595 2.563 2.645 . 0 0 "[ . 1 . 2]" 2
11 1 28 LEU O 1 32 LEU H 1.700 . 2.000 1.809 1.705 2.002 0.002 10 0 "[ . 1 . 2]" 2
12 1 28 LEU O 1 32 LEU N 2.700 2.200 3.000 2.720 2.674 2.828 . 0 0 "[ . 1 . 2]" 2
13 1 29 GLN O 1 33 SER H 1.700 . 2.000 2.039 1.988 2.089 0.089 1 0 "[ . 1 . 2]" 2
14 1 29 GLN O 1 33 SER N 2.700 2.200 3.000 2.929 2.802 3.006 0.006 8 0 "[ . 1 . 2]" 2
15 1 8 GLN O 1 21 ALA H 1.700 . 2.000 1.729 1.640 1.877 . 0 0 "[ . 1 . 2]" 2
16 1 8 GLN O 1 21 ALA N 2.700 2.200 3.000 2.697 2.614 2.824 . 0 0 "[ . 1 . 2]" 2
17 1 10 ILE H 1 19 VAL O 1.700 . 2.000 1.759 1.682 1.822 . 0 0 "[ . 1 . 2]" 2
18 1 10 ILE N 1 19 VAL O 2.700 2.200 3.000 2.722 2.641 2.781 . 0 0 "[ . 1 . 2]" 2
19 1 10 ILE O 1 19 VAL H 1.700 . 2.000 1.930 1.817 2.007 0.007 13 0 "[ . 1 . 2]" 2
20 1 10 ILE O 1 19 VAL N 2.700 2.200 3.000 2.890 2.765 2.975 . 0 0 "[ . 1 . 2]" 2
21 1 12 CYS H 1 17 ARG O 1.700 . 2.000 1.698 1.628 1.766 . 0 0 "[ . 1 . 2]" 2
22 1 12 CYS N 1 17 ARG O 2.700 2.200 3.000 2.668 2.605 2.722 . 0 0 "[ . 1 . 2]" 2
stop_
save_