NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
379675 |
1i2v   |
4976 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1i2v
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 351
_Distance_constraint_stats_list.Viol_count 763
_Distance_constraint_stats_list.Viol_total 579.675
_Distance_constraint_stats_list.Viol_max 0.179
_Distance_constraint_stats_list.Viol_rms 0.0187
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0051
_Distance_constraint_stats_list.Viol_average_violations_only 0.0422
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ASP 0.890 0.078 10 0 "[ . 1 . ]"
1 2 LYS 1.398 0.124 8 0 "[ . 1 . ]"
1 3 LEU 0.204 0.070 5 0 "[ . 1 . ]"
1 4 ILE 0.067 0.033 9 0 "[ . 1 . ]"
1 5 GLY 0.426 0.070 5 0 "[ . 1 . ]"
1 6 SER 2.252 0.171 7 0 "[ . 1 . ]"
1 7 CYS 0.322 0.040 17 0 "[ . 1 . ]"
1 8 VAL 0.575 0.116 14 0 "[ . 1 . ]"
1 9 TRP 0.050 0.050 11 0 "[ . 1 . ]"
1 10 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 11 ALA 0.076 0.029 16 0 "[ . 1 . ]"
1 12 VAL 1.147 0.056 2 0 "[ . 1 . ]"
1 13 ASN 2.124 0.093 16 0 "[ . 1 . ]"
1 14 TYR 0.299 0.034 2 0 "[ . 1 . ]"
1 15 THR 0.534 0.041 15 0 "[ . 1 . ]"
1 16 SER 0.181 0.024 15 0 "[ . 1 . ]"
1 17 ASP 0.869 0.063 15 0 "[ . 1 . ]"
1 18 CYS 0.762 0.060 14 0 "[ . 1 . ]"
1 19 ASN 1.594 0.090 18 0 "[ . 1 . ]"
1 20 GLY 0.975 0.068 4 0 "[ . 1 . ]"
1 21 GLU 2.191 0.156 15 0 "[ . 1 . ]"
1 22 CYS 5.910 0.179 10 0 "[ . 1 . ]"
1 23 LEU 2.197 0.124 18 0 "[ . 1 . ]"
1 24 LEU 5.028 0.179 10 0 "[ . 1 . ]"
1 25 ARG 0.971 0.179 15 0 "[ . 1 . ]"
1 26 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 27 TYR 0.376 0.069 17 0 "[ . 1 . ]"
1 28 LYS 0.192 0.080 13 0 "[ . 1 . ]"
1 29 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 30 GLY 0.864 0.090 18 0 "[ . 1 . ]"
1 31 HIS 1.091 0.086 8 0 "[ . 1 . ]"
1 32 CYS 0.311 0.029 12 0 "[ . 1 . ]"
1 33 GLY 0.901 0.086 8 0 "[ . 1 . ]"
1 34 SER 0.170 0.051 12 0 "[ . 1 . ]"
1 35 PHE 1.801 0.080 11 0 "[ . 1 . ]"
1 36 ALA 1.741 0.117 8 0 "[ . 1 . ]"
1 37 ASN 1.440 0.125 14 0 "[ . 1 . ]"
1 38 VAL 0.634 0.079 9 0 "[ . 1 . ]"
1 39 ASN 2.181 0.127 11 0 "[ . 1 . ]"
1 40 CYS 0.684 0.048 12 0 "[ . 1 . ]"
1 41 TRP 1.346 0.080 6 0 "[ . 1 . ]"
1 42 CYS 0.969 0.060 13 0 "[ . 1 . ]"
1 43 GLU 1.083 0.099 9 0 "[ . 1 . ]"
1 44 THR 1.763 0.099 9 0 "[ . 1 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 ASP HA 1 44 THR H 3.200 . 3.200 3.233 3.188 3.278 0.078 10 0 "[ . 1 . ]" 1
2 1 1 ASP HA 1 44 THR MG 4.600 . 4.600 2.933 1.844 3.885 . 0 0 "[ . 1 . ]" 1
3 1 1 ASP HB3 1 2 LYS H 3.600 . 3.600 3.023 2.293 3.666 0.066 9 0 "[ . 1 . ]" 1
4 1 1 ASP HB2 1 2 LYS H 3.600 . 3.600 3.163 2.203 3.642 0.042 10 0 "[ . 1 . ]" 1
5 1 2 LYS H 1 2 LYS HB3 3.200 . 3.200 3.195 2.573 3.324 0.124 8 0 "[ . 1 . ]" 1
6 1 2 LYS H 1 2 LYS HB2 3.200 . 3.200 2.402 2.097 3.034 . 0 0 "[ . 1 . ]" 1
7 1 2 LYS H 1 41 TRP HE3 6.000 . 6.000 3.821 3.026 4.581 . 0 0 "[ . 1 . ]" 1
8 1 2 LYS H 1 41 TRP HZ3 6.000 . 6.000 5.280 4.122 6.080 0.080 6 0 "[ . 1 . ]" 1
9 1 2 LYS H 1 42 CYS H 3.300 . 3.300 2.949 2.715 3.255 . 0 0 "[ . 1 . ]" 1
10 1 2 LYS H 1 44 THR MG 5.400 . 5.400 2.670 1.852 3.736 . 0 0 "[ . 1 . ]" 1
11 1 2 LYS HA 1 3 LEU H 2.800 . 2.800 2.117 2.042 2.334 . 0 0 "[ . 1 . ]" 1
12 1 2 LYS HA 1 42 CYS H 6.000 . 6.000 4.510 4.294 4.959 . 0 0 "[ . 1 . ]" 1
13 1 3 LEU H 1 4 ILE H 5.100 . 5.100 4.575 4.488 4.619 . 0 0 "[ . 1 . ]" 1
14 1 3 LEU H 1 41 TRP HZ3 6.000 . 6.000 3.488 2.653 4.237 . 0 0 "[ . 1 . ]" 1
15 1 3 LEU HA 1 4 ILE H 2.500 . 2.500 2.303 2.272 2.341 . 0 0 "[ . 1 . ]" 1
16 1 3 LEU HA 1 4 ILE MG 7.000 . 7.000 3.578 3.033 5.396 . 0 0 "[ . 1 . ]" 1
17 1 3 LEU HA 1 4 ILE MD 7.000 . 7.000 4.886 4.276 5.254 . 0 0 "[ . 1 . ]" 1
18 1 3 LEU HA 1 41 TRP HE3 6.000 . 6.000 3.091 2.685 3.684 . 0 0 "[ . 1 . ]" 1
19 1 3 LEU HA 1 41 TRP HZ3 6.000 . 6.000 4.384 3.918 5.133 . 0 0 "[ . 1 . ]" 1
20 1 3 LEU HA 1 42 CYS H 3.800 . 3.800 3.153 2.965 3.425 . 0 0 "[ . 1 . ]" 1
21 1 3 LEU HB3 1 41 TRP HZ3 6.000 . 6.000 4.439 3.954 5.105 . 0 0 "[ . 1 . ]" 1
22 1 3 LEU HB2 1 41 TRP HZ3 6.000 . 6.000 2.929 2.343 3.498 . 0 0 "[ . 1 . ]" 1
23 1 3 LEU HG 1 4 ILE H 6.000 . 6.000 2.325 1.926 3.836 . 0 0 "[ . 1 . ]" 1
24 1 3 LEU HG 1 5 GLY H 4.500 . 4.500 3.199 2.811 4.570 0.070 5 0 "[ . 1 . ]" 1
25 1 3 LEU HG 1 41 TRP HZ3 6.000 . 6.000 5.096 4.517 5.786 . 0 0 "[ . 1 . ]" 1
26 1 3 LEU MD1 1 4 ILE H 7.000 . 7.000 3.568 1.950 3.878 . 0 0 "[ . 1 . ]" 1
27 1 3 LEU MD1 1 5 GLY H 5.200 . 5.200 3.987 2.211 4.343 . 0 0 "[ . 1 . ]" 1
28 1 3 LEU MD1 1 39 ASN HB3 7.000 . 7.000 3.291 2.571 4.440 . 0 0 "[ . 1 . ]" 1
29 1 3 LEU MD1 1 39 ASN HB2 7.000 . 7.000 4.440 3.856 5.704 . 0 0 "[ . 1 . ]" 1
30 1 3 LEU MD1 1 39 ASN HD21 8.800 . 8.800 4.057 2.026 6.368 . 0 0 "[ . 1 . ]" 1
31 1 3 LEU MD1 1 39 ASN HD22 8.800 . 8.800 4.343 3.093 5.707 . 0 0 "[ . 1 . ]" 1
32 1 3 LEU MD1 1 40 CYS H 7.000 . 7.000 4.391 3.943 4.775 . 0 0 "[ . 1 . ]" 1
33 1 3 LEU MD1 1 41 TRP HZ3 7.000 . 7.000 3.817 2.974 5.598 . 0 0 "[ . 1 . ]" 1
34 1 3 LEU MD1 1 41 TRP HH2 7.000 . 7.000 3.231 2.596 5.461 . 0 0 "[ . 1 . ]" 1
35 1 3 LEU MD2 1 4 ILE H 7.000 . 7.000 2.158 1.767 2.333 0.033 9 0 "[ . 1 . ]" 1
36 1 3 LEU MD2 1 5 GLY H 5.200 . 5.200 2.520 2.378 2.726 . 0 0 "[ . 1 . ]" 1
37 1 3 LEU MD2 1 39 ASN HB3 7.000 . 7.000 4.190 2.842 4.500 . 0 0 "[ . 1 . ]" 1
38 1 3 LEU MD2 1 39 ASN HB2 7.000 . 7.000 5.553 4.081 5.785 . 0 0 "[ . 1 . ]" 1
39 1 3 LEU MD2 1 39 ASN HD21 8.800 . 8.800 5.125 2.647 6.809 . 0 0 "[ . 1 . ]" 1
40 1 3 LEU MD2 1 39 ASN HD22 8.800 . 8.800 5.253 3.955 6.656 . 0 0 "[ . 1 . ]" 1
41 1 3 LEU MD2 1 40 CYS H 7.000 . 7.000 4.163 3.508 4.559 . 0 0 "[ . 1 . ]" 1
42 1 3 LEU MD2 1 41 TRP HZ3 7.000 . 7.000 5.225 3.564 5.859 . 0 0 "[ . 1 . ]" 1
43 1 3 LEU MD2 1 41 TRP HH2 7.000 . 7.000 5.144 3.417 5.751 . 0 0 "[ . 1 . ]" 1
44 1 4 ILE H 1 5 GLY H 2.700 . 2.700 1.926 1.882 1.963 . 0 0 "[ . 1 . ]" 1
45 1 4 ILE H 1 42 CYS H 4.800 . 4.800 4.661 4.596 4.718 . 0 0 "[ . 1 . ]" 1
46 1 4 ILE HB 1 15 THR MG 7.000 . 7.000 4.268 3.701 5.134 . 0 0 "[ . 1 . ]" 1
47 1 4 ILE MG 1 5 GLY H 7.000 . 7.000 3.886 3.502 4.054 . 0 0 "[ . 1 . ]" 1
48 1 4 ILE MG 1 25 ARG HD3 7.000 . 7.000 3.398 2.765 4.343 . 0 0 "[ . 1 . ]" 1
49 1 4 ILE MG 1 25 ARG HD2 7.000 . 7.000 2.934 1.884 5.141 . 0 0 "[ . 1 . ]" 1
50 1 4 ILE MG 1 42 CYS H 7.000 . 7.000 3.534 2.631 5.438 . 0 0 "[ . 1 . ]" 1
51 1 4 ILE MD 1 5 GLY H 7.000 . 7.000 3.810 3.562 4.493 . 0 0 "[ . 1 . ]" 1
52 1 4 ILE MD 1 21 GLU H 7.000 . 7.000 4.010 3.677 4.820 . 0 0 "[ . 1 . ]" 1
53 1 4 ILE MD 1 22 CYS H 6.200 . 6.200 3.174 2.531 3.695 . 0 0 "[ . 1 . ]" 1
54 1 4 ILE MD 1 22 CYS HA 7.000 . 7.000 3.645 2.788 4.440 . 0 0 "[ . 1 . ]" 1
55 1 4 ILE MD 1 25 ARG HD3 7.000 . 7.000 5.582 4.305 5.841 . 0 0 "[ . 1 . ]" 1
56 1 4 ILE MD 1 25 ARG HD2 7.000 . 7.000 5.098 4.609 5.753 . 0 0 "[ . 1 . ]" 1
57 1 4 ILE MD 1 40 CYS H 7.000 . 7.000 4.843 4.588 5.423 . 0 0 "[ . 1 . ]" 1
58 1 4 ILE MD 1 42 CYS H 7.000 . 7.000 4.463 3.226 5.280 . 0 0 "[ . 1 . ]" 1
59 1 5 GLY H 1 6 SER H 4.900 . 4.900 4.278 4.216 4.346 . 0 0 "[ . 1 . ]" 1
60 1 5 GLY H 1 40 CYS H 3.700 . 3.700 3.456 2.944 3.715 0.015 15 0 "[ . 1 . ]" 1
61 1 5 GLY HA3 1 6 SER H 3.000 . 3.000 2.291 2.210 2.372 . 0 0 "[ . 1 . ]" 1
62 1 5 GLY HA3 1 13 ASN HB3 4.400 . 4.400 3.622 2.719 4.468 0.068 14 0 "[ . 1 . ]" 1
63 1 5 GLY HA3 1 13 ASN HB2 4.400 . 4.400 3.774 2.874 4.443 0.043 11 0 "[ . 1 . ]" 1
64 1 5 GLY HA3 1 13 ASN HD21 7.600 . 7.600 5.316 4.075 6.518 . 0 0 "[ . 1 . ]" 1
65 1 5 GLY HA3 1 13 ASN HD22 7.600 . 7.600 6.575 5.712 7.272 . 0 0 "[ . 1 . ]" 1
66 1 5 GLY HA2 1 6 SER H 3.000 . 3.000 2.928 2.758 3.013 0.013 13 0 "[ . 1 . ]" 1
67 1 5 GLY HA2 1 13 ASN HB3 4.400 . 4.400 3.454 2.618 4.418 0.018 14 0 "[ . 1 . ]" 1
68 1 5 GLY HA2 1 13 ASN HB2 4.400 . 4.400 3.533 2.610 4.152 . 0 0 "[ . 1 . ]" 1
69 1 5 GLY HA2 1 13 ASN HD21 7.600 . 7.600 4.659 3.246 5.834 . 0 0 "[ . 1 . ]" 1
70 1 5 GLY HA2 1 13 ASN HD22 7.600 . 7.600 5.792 4.787 6.691 . 0 0 "[ . 1 . ]" 1
71 1 6 SER H 1 6 SER HB3 3.300 . 3.300 3.241 2.487 3.471 0.171 7 0 "[ . 1 . ]" 1
72 1 6 SER H 1 6 SER HB2 3.300 . 3.300 2.492 2.185 3.012 . 0 0 "[ . 1 . ]" 1
73 1 6 SER H 1 11 ALA MB 6.800 . 6.800 5.421 5.248 5.514 . 0 0 "[ . 1 . ]" 1
74 1 6 SER H 1 13 ASN HB3 6.000 . 6.000 3.615 2.869 4.408 . 0 0 "[ . 1 . ]" 1
75 1 6 SER H 1 13 ASN HB2 6.000 . 6.000 2.921 2.521 3.427 . 0 0 "[ . 1 . ]" 1
76 1 6 SER H 1 14 TYR HA 3.500 . 3.500 3.486 3.271 3.534 0.034 2 0 "[ . 1 . ]" 1
77 1 6 SER H 1 15 THR H 3.900 . 3.900 3.887 3.848 3.914 0.014 7 0 "[ . 1 . ]" 1
78 1 6 SER H 1 15 THR MG 7.000 . 7.000 4.895 4.196 5.273 . 0 0 "[ . 1 . ]" 1
79 1 6 SER HA 1 39 ASN HA 2.500 . 2.500 2.020 1.938 2.142 . 0 0 "[ . 1 . ]" 1
80 1 6 SER HA 1 40 CYS H 3.300 . 3.300 2.798 2.501 3.265 . 0 0 "[ . 1 . ]" 1
81 1 6 SER HB3 1 8 VAL H 4.200 . 4.200 3.036 2.523 3.920 . 0 0 "[ . 1 . ]" 1
82 1 6 SER HB3 1 11 ALA MB 5.000 . 5.000 3.149 2.814 3.626 . 0 0 "[ . 1 . ]" 1
83 1 6 SER HB2 1 8 VAL H 4.200 . 4.200 3.875 3.038 4.316 0.116 14 0 "[ . 1 . ]" 1
84 1 6 SER HB2 1 11 ALA MB 5.000 . 5.000 3.519 3.229 3.737 . 0 0 "[ . 1 . ]" 1
85 1 7 CYS H 1 7 CYS HB3 3.700 . 3.700 2.826 2.450 3.740 0.040 17 0 "[ . 1 . ]" 1
86 1 7 CYS H 1 7 CYS HB2 3.700 . 3.700 3.248 2.652 3.487 . 0 0 "[ . 1 . ]" 1
87 1 7 CYS H 1 8 VAL H 6.000 . 6.000 2.618 2.138 3.123 . 0 0 "[ . 1 . ]" 1
88 1 7 CYS H 1 8 VAL HB 4.300 . 4.300 4.034 3.344 4.331 0.031 11 0 "[ . 1 . ]" 1
89 1 7 CYS H 1 8 VAL MG2 5.300 . 5.300 2.813 2.376 3.709 . 0 0 "[ . 1 . ]" 1
90 1 7 CYS HA 1 8 VAL H 3.200 . 3.200 2.698 2.551 2.939 . 0 0 "[ . 1 . ]" 1
91 1 7 CYS HA 1 15 THR H 3.900 . 3.900 3.230 2.792 3.651 . 0 0 "[ . 1 . ]" 1
92 1 7 CYS CB 1 32 CYS SG 3.100 . 3.100 3.108 3.044 3.129 0.029 12 0 "[ . 1 . ]" 1
93 1 7 CYS HB3 1 8 VAL H 6.000 . 6.000 4.289 4.034 4.411 . 0 0 "[ . 1 . ]" 1
94 1 7 CYS HB2 1 8 VAL H 6.000 . 6.000 4.592 4.195 4.672 . 0 0 "[ . 1 . ]" 1
95 1 7 CYS SG 1 32 CYS CB 3.100 . 3.100 2.992 2.892 3.097 . 0 0 "[ . 1 . ]" 1
96 1 7 CYS SG 1 32 CYS SG 2.100 . 2.100 2.018 2.016 2.019 . 0 0 "[ . 1 . ]" 1
97 1 8 VAL H 1 8 VAL MG2 4.200 . 4.200 2.851 2.503 3.445 . 0 0 "[ . 1 . ]" 1
98 1 8 VAL H 1 9 TRP H 6.000 . 6.000 4.255 4.108 4.479 . 0 0 "[ . 1 . ]" 1
99 1 8 VAL H 1 11 ALA MB 6.200 . 6.200 3.516 3.215 3.819 . 0 0 "[ . 1 . ]" 1
100 1 8 VAL HA 1 9 TRP H 2.500 . 2.500 2.112 2.055 2.140 . 0 0 "[ . 1 . ]" 1
101 1 8 VAL HB 1 9 TRP H 4.900 . 4.900 4.242 4.042 4.439 . 0 0 "[ . 1 . ]" 1
102 1 8 VAL HB 1 11 ALA H 4.600 . 4.600 4.082 3.173 4.629 0.029 16 0 "[ . 1 . ]" 1
103 1 8 VAL HB 1 11 ALA MB 4.600 . 4.600 2.132 1.785 2.617 0.015 14 0 "[ . 1 . ]" 1
104 1 8 VAL MG1 1 9 TRP H 4.800 . 4.800 2.825 2.590 3.003 . 0 0 "[ . 1 . ]" 1
105 1 8 VAL MG1 1 11 ALA H 5.900 . 5.900 3.536 2.366 4.275 . 0 0 "[ . 1 . ]" 1
106 1 8 VAL MG1 1 11 ALA MB 7.200 . 7.200 2.393 2.062 2.935 . 0 0 "[ . 1 . ]" 1
107 1 8 VAL MG2 1 9 TRP H 6.300 . 6.300 3.932 3.384 4.203 . 0 0 "[ . 1 . ]" 1
108 1 8 VAL MG2 1 11 ALA MB 8.100 . 8.100 3.151 2.825 3.828 . 0 0 "[ . 1 . ]" 1
109 1 8 VAL MG2 1 38 VAL HA 4.100 . 4.100 2.095 1.805 2.805 . 0 0 "[ . 1 . ]" 1
110 1 8 VAL MG2 1 38 VAL HB 4.000 . 4.000 2.865 1.988 3.543 . 0 0 "[ . 1 . ]" 1
111 1 9 TRP HA 1 9 TRP HZ3 6.000 . 6.000 4.916 4.372 6.050 0.050 11 0 "[ . 1 . ]" 1
112 1 9 TRP HA 1 10 GLY H 2.600 . 2.600 2.333 2.091 2.479 . 0 0 "[ . 1 . ]" 1
113 1 10 GLY H 1 11 ALA H 2.500 . 2.500 2.172 1.928 2.455 . 0 0 "[ . 1 . ]" 1
114 1 10 GLY H 1 11 ALA MB 7.000 . 7.000 3.513 3.301 4.182 . 0 0 "[ . 1 . ]" 1
115 1 11 ALA HA 1 12 VAL H 2.600 . 2.600 2.496 2.437 2.531 . 0 0 "[ . 1 . ]" 1
116 1 11 ALA MB 1 12 VAL HA 6.800 . 6.800 4.203 4.162 4.238 . 0 0 "[ . 1 . ]" 1
117 1 11 ALA MB 1 14 TYR H 5.700 . 5.700 4.506 4.372 4.598 . 0 0 "[ . 1 . ]" 1
118 1 11 ALA MB 1 14 TYR HA 5.900 . 5.900 3.860 3.793 3.978 . 0 0 "[ . 1 . ]" 1
119 1 12 VAL H 1 12 VAL HB 3.000 . 3.000 2.782 2.716 3.002 0.002 9 0 "[ . 1 . ]" 1
120 1 12 VAL H 1 12 VAL MG2 4.500 . 4.500 1.870 1.797 1.922 0.003 9 0 "[ . 1 . ]" 1
121 1 12 VAL HA 1 12 VAL HB 3.000 . 3.000 3.018 3.006 3.026 0.026 2 0 "[ . 1 . ]" 1
122 1 12 VAL HA 1 13 ASN H 2.800 . 2.800 2.416 2.369 2.461 . 0 0 "[ . 1 . ]" 1
123 1 12 VAL HA 1 14 TYR H 4.000 . 4.000 3.117 3.090 3.149 . 0 0 "[ . 1 . ]" 1
124 1 12 VAL HB 1 13 ASN H 3.100 . 3.100 3.122 3.021 3.142 0.042 7 0 "[ . 1 . ]" 1
125 1 12 VAL MG1 1 13 ASN H 5.800 . 5.800 1.796 1.744 1.968 0.056 2 0 "[ . 1 . ]" 1
126 1 12 VAL MG1 1 13 ASN HD21 7.000 . 7.000 4.082 2.324 4.974 . 0 0 "[ . 1 . ]" 1
127 1 12 VAL MG1 1 13 ASN HD22 7.000 . 7.000 3.591 2.922 4.235 . 0 0 "[ . 1 . ]" 1
128 1 12 VAL MG2 1 13 ASN H 6.300 . 6.300 3.938 3.875 4.055 . 0 0 "[ . 1 . ]" 1
129 1 13 ASN H 1 14 TYR H 3.800 . 3.800 2.749 2.720 2.781 . 0 0 "[ . 1 . ]" 1
130 1 13 ASN HA 1 13 ASN HB3 2.900 . 2.900 2.400 2.286 2.506 . 0 0 "[ . 1 . ]" 1
131 1 13 ASN HA 1 13 ASN HB2 2.900 . 2.900 2.928 2.619 2.993 0.093 16 0 "[ . 1 . ]" 1
132 1 14 TYR H 1 14 TYR HB3 2.900 . 2.900 2.338 2.141 2.588 . 0 0 "[ . 1 . ]" 1
133 1 14 TYR H 1 14 TYR HB2 2.900 . 2.900 2.701 2.533 2.923 0.023 9 0 "[ . 1 . ]" 1
134 1 14 TYR H 1 15 THR H 5.300 . 5.300 4.615 4.564 4.664 . 0 0 "[ . 1 . ]" 1
135 1 14 TYR HA 1 15 THR H 2.500 . 2.500 2.190 2.141 2.244 . 0 0 "[ . 1 . ]" 1
136 1 15 THR H 1 15 THR HB 3.600 . 3.600 2.405 2.224 3.091 . 0 0 "[ . 1 . ]" 1
137 1 15 THR H 1 15 THR MG 4.300 . 4.300 3.514 2.657 3.729 . 0 0 "[ . 1 . ]" 1
138 1 15 THR HA 1 15 THR HB 3.000 . 3.000 2.968 2.623 3.041 0.041 15 0 "[ . 1 . ]" 1
139 1 15 THR HA 1 15 THR MG 3.600 . 3.600 2.708 2.457 3.170 . 0 0 "[ . 1 . ]" 1
140 1 15 THR HA 1 17 ASP H 6.000 . 6.000 3.938 3.604 4.488 . 0 0 "[ . 1 . ]" 1
141 1 15 THR HB 1 16 SER H 3.900 . 3.900 2.872 2.077 3.909 0.009 7 0 "[ . 1 . ]" 1
142 1 15 THR MG 1 16 SER H 6.200 . 6.200 2.373 1.951 2.765 . 0 0 "[ . 1 . ]" 1
143 1 15 THR MG 1 17 ASP H 5.000 . 5.000 2.568 2.057 3.601 . 0 0 "[ . 1 . ]" 1
144 1 15 THR MG 1 18 CYS H 5.700 . 5.700 2.647 2.282 3.016 . 0 0 "[ . 1 . ]" 1
145 1 15 THR MG 1 18 CYS HB2 3.500 . 3.500 2.853 2.671 3.025 . 0 0 "[ . 1 . ]" 1
146 1 15 THR MG 1 21 GLU H 7.000 . 7.000 3.888 3.334 5.310 . 0 0 "[ . 1 . ]" 1
147 1 16 SER H 1 17 ASP H 3.000 . 3.000 2.585 1.978 3.024 0.024 15 0 "[ . 1 . ]" 1
148 1 16 SER HB3 1 17 ASP H 4.500 . 4.500 2.890 2.240 3.752 . 0 0 "[ . 1 . ]" 1
149 1 16 SER HB2 1 17 ASP H 4.500 . 4.500 3.352 2.385 4.198 . 0 0 "[ . 1 . ]" 1
150 1 17 ASP H 1 17 ASP HB3 3.200 . 3.200 3.097 2.822 3.263 0.063 15 0 "[ . 1 . ]" 1
151 1 17 ASP H 1 18 CYS H 4.100 . 4.100 3.408 3.218 3.563 . 0 0 "[ . 1 . ]" 1
152 1 17 ASP HA 1 17 ASP HB2 2.500 . 2.500 2.513 2.477 2.529 0.029 7 0 "[ . 1 . ]" 1
153 1 17 ASP HA 1 17 ASP HB3 2.500 . 2.500 2.429 2.327 2.515 0.015 12 0 "[ . 1 . ]" 1
154 1 17 ASP HA 1 18 CYS H 2.600 . 2.600 2.392 2.231 2.455 . 0 0 "[ . 1 . ]" 1
155 1 17 ASP HA 1 19 ASN H 4.500 . 4.500 4.078 3.348 4.419 . 0 0 "[ . 1 . ]" 1
156 1 17 ASP HA 1 20 GLY H 5.100 . 5.100 3.663 3.505 3.767 . 0 0 "[ . 1 . ]" 1
157 1 18 CYS H 1 18 CYS HB2 2.900 . 2.900 2.136 1.945 2.245 . 0 0 "[ . 1 . ]" 1
158 1 18 CYS H 1 18 CYS HB3 2.900 . 2.900 2.851 2.661 2.960 0.060 14 0 "[ . 1 . ]" 1
159 1 18 CYS H 1 19 ASN H 6.000 . 6.000 3.142 2.855 3.350 . 0 0 "[ . 1 . ]" 1
160 1 18 CYS H 1 20 GLY H 4.700 . 4.700 3.948 3.688 4.351 . 0 0 "[ . 1 . ]" 1
161 1 18 CYS HA 1 18 CYS HB2 2.800 . 2.800 2.622 2.437 2.733 . 0 0 "[ . 1 . ]" 1
162 1 18 CYS HA 1 21 GLU H 3.800 . 3.800 3.551 3.293 3.809 0.009 15 0 "[ . 1 . ]" 1
163 1 18 CYS HA 1 22 CYS H 4.600 . 4.600 3.931 3.816 4.082 . 0 0 "[ . 1 . ]" 1
164 1 18 CYS CB 1 40 CYS SG 3.100 . 3.100 3.017 2.853 3.097 . 0 0 "[ . 1 . ]" 1
165 1 18 CYS HB2 1 19 ASN H 6.000 . 6.000 3.377 3.186 3.567 . 0 0 "[ . 1 . ]" 1
166 1 18 CYS HB3 1 19 ASN H 3.000 . 3.000 2.087 1.892 2.533 . 0 0 "[ . 1 . ]" 1
167 1 18 CYS HB3 1 31 HIS HA 3.200 . 3.200 3.070 2.628 3.259 0.059 4 0 "[ . 1 . ]" 1
168 1 18 CYS HB3 1 32 CYS H 6.000 . 6.000 4.687 3.906 5.114 . 0 0 "[ . 1 . ]" 1
169 1 18 CYS SG 1 40 CYS CB 3.100 . 3.100 3.125 3.097 3.148 0.048 12 0 "[ . 1 . ]" 1
170 1 18 CYS SG 1 40 CYS SG 2.100 . 2.100 2.021 2.017 2.026 . 0 0 "[ . 1 . ]" 1
171 1 19 ASN H 1 20 GLY H 3.200 . 3.200 2.774 2.646 2.920 . 0 0 "[ . 1 . ]" 1
172 1 19 ASN H 1 21 GLU H 6.000 . 6.000 4.713 4.346 4.875 . 0 0 "[ . 1 . ]" 1
173 1 19 ASN H 1 30 GLY H 4.300 . 4.300 4.313 4.123 4.390 0.090 18 0 "[ . 1 . ]" 1
174 1 19 ASN HA 1 19 ASN HB3 3.100 . 3.100 3.006 2.548 3.058 . 0 0 "[ . 1 . ]" 1
175 1 19 ASN HA 1 19 ASN HB2 3.100 . 3.100 2.644 2.520 3.075 . 0 0 "[ . 1 . ]" 1
176 1 19 ASN HA 1 22 CYS H 6.000 . 6.000 3.707 3.534 3.872 . 0 0 "[ . 1 . ]" 1
177 1 19 ASN HA 1 22 CYS HB2 3.300 . 3.300 2.467 2.303 2.685 . 0 0 "[ . 1 . ]" 1
178 1 19 ASN HA 1 22 CYS HB3 3.900 . 3.900 3.723 3.587 3.909 0.009 7 0 "[ . 1 . ]" 1
179 1 19 ASN HA 1 23 LEU H 6.000 . 6.000 3.871 3.721 4.144 . 0 0 "[ . 1 . ]" 1
180 1 19 ASN HA 1 30 GLY H 2.800 . 2.800 2.367 1.944 2.783 . 0 0 "[ . 1 . ]" 1
181 1 19 ASN HB3 1 20 GLY H 3.600 . 3.600 2.736 2.304 3.653 0.053 10 0 "[ . 1 . ]" 1
182 1 19 ASN HB3 1 30 GLY H 6.000 . 6.000 4.886 4.221 5.221 . 0 0 "[ . 1 . ]" 1
183 1 19 ASN HB2 1 20 GLY H 3.600 . 3.600 3.600 2.725 3.668 0.068 4 0 "[ . 1 . ]" 1
184 1 19 ASN HB2 1 30 GLY H 6.000 . 6.000 3.975 3.435 5.107 . 0 0 "[ . 1 . ]" 1
185 1 19 ASN HD21 1 20 GLY H 6.000 . 6.000 4.184 3.638 5.433 . 0 0 "[ . 1 . ]" 1
186 1 19 ASN HD22 1 20 GLY H 6.000 . 6.000 5.537 5.133 6.041 0.041 8 0 "[ . 1 . ]" 1
187 1 20 GLY H 1 21 GLU H 3.000 . 3.000 2.777 2.643 2.921 . 0 0 "[ . 1 . ]" 1
188 1 20 GLY HA3 1 22 CYS H 6.000 . 6.000 4.270 4.152 4.363 . 0 0 "[ . 1 . ]" 1
189 1 20 GLY HA2 1 22 CYS H 6.000 . 6.000 4.141 4.028 4.272 . 0 0 "[ . 1 . ]" 1
190 1 21 GLU H 1 22 CYS H 2.900 . 2.900 2.689 2.604 2.803 . 0 0 "[ . 1 . ]" 1
191 1 21 GLU H 1 23 LEU H 4.200 . 4.200 4.206 4.164 4.234 0.034 7 0 "[ . 1 . ]" 1
192 1 21 GLU HA 1 21 GLU HG3 4.100 . 4.100 2.661 2.261 3.182 . 0 0 "[ . 1 . ]" 1
193 1 21 GLU HA 1 21 GLU HG2 4.100 . 4.100 3.363 2.320 3.982 . 0 0 "[ . 1 . ]" 1
194 1 21 GLU HA 1 24 LEU H 3.400 . 3.400 3.417 3.378 3.475 0.075 16 0 "[ . 1 . ]" 1
195 1 21 GLU HA 1 24 LEU HG 4.600 . 4.600 4.001 3.715 4.139 . 0 0 "[ . 1 . ]" 1
196 1 21 GLU HA 1 25 ARG H 4.800 . 4.800 4.589 4.541 4.636 . 0 0 "[ . 1 . ]" 1
197 1 21 GLU HB3 1 22 CYS H 3.600 . 3.600 2.740 2.528 3.148 . 0 0 "[ . 1 . ]" 1
198 1 21 GLU HB2 1 22 CYS H 3.600 . 3.600 3.637 3.108 3.756 0.156 15 0 "[ . 1 . ]" 1
199 1 21 GLU HG3 1 22 CYS H 6.000 . 6.000 4.508 3.639 5.207 . 0 0 "[ . 1 . ]" 1
200 1 21 GLU HG3 1 25 ARG HE 4.600 . 4.600 3.635 2.067 4.627 0.027 2 0 "[ . 1 . ]" 1
201 1 21 GLU HG2 1 22 CYS H 6.000 . 6.000 4.653 4.078 5.234 . 0 0 "[ . 1 . ]" 1
202 1 21 GLU HG2 1 25 ARG HE 4.600 . 4.600 3.976 2.718 4.675 0.075 7 0 "[ . 1 . ]" 1
203 1 22 CYS H 1 22 CYS HB2 2.800 . 2.800 2.216 2.175 2.256 . 0 0 "[ . 1 . ]" 1
204 1 22 CYS H 1 22 CYS HB3 3.400 . 3.400 3.496 3.474 3.520 0.120 15 0 "[ . 1 . ]" 1
205 1 22 CYS H 1 23 LEU H 3.000 . 3.000 2.515 2.450 2.575 . 0 0 "[ . 1 . ]" 1
206 1 22 CYS H 1 23 LEU HG 6.000 . 6.000 4.919 4.520 5.434 . 0 0 "[ . 1 . ]" 1
207 1 22 CYS H 1 24 LEU H 3.500 . 3.500 3.630 3.606 3.679 0.179 10 0 "[ . 1 . ]" 1
208 1 22 CYS HA 1 22 CYS HB3 3.000 . 3.000 2.686 2.616 2.752 . 0 0 "[ . 1 . ]" 1
209 1 22 CYS HA 1 24 LEU H 4.500 . 4.500 4.015 3.937 4.064 . 0 0 "[ . 1 . ]" 1
210 1 22 CYS CB 1 42 CYS SG 3.100 . 3.100 3.117 3.080 3.146 0.046 10 0 "[ . 1 . ]" 1
211 1 22 CYS HB2 1 23 LEU H 3.300 . 3.300 2.744 2.629 2.979 . 0 0 "[ . 1 . ]" 1
212 1 22 CYS HB2 1 30 GLY H 6.000 . 6.000 3.194 2.235 3.923 . 0 0 "[ . 1 . ]" 1
213 1 22 CYS HB3 1 23 LEU H 3.500 . 3.500 3.268 3.158 3.494 . 0 0 "[ . 1 . ]" 1
214 1 22 CYS HB3 1 30 GLY H 6.000 . 6.000 3.583 2.803 4.351 . 0 0 "[ . 1 . ]" 1
215 1 22 CYS HB3 1 42 CYS HA 6.000 . 6.000 4.276 3.958 4.554 . 0 0 "[ . 1 . ]" 1
216 1 22 CYS SG 1 42 CYS CB 3.100 . 3.100 3.109 3.048 3.133 0.033 10 0 "[ . 1 . ]" 1
217 1 22 CYS SG 1 42 CYS SG 2.100 . 2.100 2.025 2.022 2.026 . 0 0 "[ . 1 . ]" 1
218 1 23 LEU H 1 23 LEU HB2 2.800 . 2.800 2.126 2.085 2.194 . 0 0 "[ . 1 . ]" 1
219 1 23 LEU H 1 23 LEU HB3 3.300 . 3.300 3.404 3.376 3.424 0.124 18 0 "[ . 1 . ]" 1
220 1 23 LEU H 1 23 LEU HG 3.100 . 3.100 2.746 2.473 3.108 0.008 13 0 "[ . 1 . ]" 1
221 1 23 LEU H 1 24 LEU H 2.800 . 2.800 2.487 2.436 2.525 . 0 0 "[ . 1 . ]" 1
222 1 23 LEU H 1 25 ARG H 4.900 . 4.900 4.017 3.971 4.096 . 0 0 "[ . 1 . ]" 1
223 1 23 LEU HA 1 23 LEU HB3 3.000 . 3.000 2.669 2.594 2.782 . 0 0 "[ . 1 . ]" 1
224 1 23 LEU HA 1 23 LEU HG 3.800 . 3.800 2.748 2.605 2.904 . 0 0 "[ . 1 . ]" 1
225 1 23 LEU HA 1 24 LEU H 3.600 . 3.600 3.471 3.452 3.501 . 0 0 "[ . 1 . ]" 1
226 1 23 LEU HA 1 26 GLY H 4.200 . 4.200 3.184 3.022 3.340 . 0 0 "[ . 1 . ]" 1
227 1 23 LEU HA 1 27 TYR H 3.500 . 3.500 3.194 2.995 3.399 . 0 0 "[ . 1 . ]" 1
228 1 23 LEU HB2 1 24 LEU HA 6.000 . 6.000 4.599 4.464 4.804 . 0 0 "[ . 1 . ]" 1
229 1 23 LEU HB3 1 24 LEU H 3.500 . 3.500 3.458 3.332 3.528 0.028 7 0 "[ . 1 . ]" 1
230 1 24 LEU H 1 24 LEU HB3 3.100 . 3.100 3.192 3.162 3.267 0.167 17 0 "[ . 1 . ]" 1
231 1 24 LEU H 1 24 LEU HB2 3.100 . 3.100 1.946 1.920 1.970 . 0 0 "[ . 1 . ]" 1
232 1 24 LEU H 1 24 LEU HG 3.300 . 3.300 3.312 2.954 3.365 0.065 2 0 "[ . 1 . ]" 1
233 1 24 LEU H 1 25 ARG H 3.000 . 3.000 2.468 2.425 2.518 . 0 0 "[ . 1 . ]" 1
234 1 24 LEU H 1 26 GLY H 4.500 . 4.500 3.814 3.768 3.919 . 0 0 "[ . 1 . ]" 1
235 1 24 LEU HA 1 24 LEU HG 4.000 . 4.000 2.460 2.309 2.707 . 0 0 "[ . 1 . ]" 1
236 1 25 ARG H 1 26 GLY H 2.900 . 2.900 2.425 2.299 2.599 . 0 0 "[ . 1 . ]" 1
237 1 25 ARG H 1 27 TYR H 3.900 . 3.900 3.376 3.300 3.452 . 0 0 "[ . 1 . ]" 1
238 1 25 ARG HA 1 25 ARG HD3 5.200 . 5.200 4.592 3.561 4.884 . 0 0 "[ . 1 . ]" 1
239 1 25 ARG HA 1 25 ARG HD2 5.200 . 5.200 4.299 3.029 4.589 . 0 0 "[ . 1 . ]" 1
240 1 25 ARG HA 1 25 ARG HE 6.000 . 6.000 4.396 2.895 5.983 . 0 0 "[ . 1 . ]" 1
241 1 25 ARG HA 1 27 TYR H 4.400 . 4.400 4.412 4.314 4.469 0.069 17 0 "[ . 1 . ]" 1
242 1 25 ARG HB3 1 25 ARG HE 4.600 . 4.600 4.124 3.771 4.779 0.179 15 0 "[ . 1 . ]" 1
243 1 25 ARG HB2 1 25 ARG HE 4.600 . 4.600 3.036 2.390 4.114 . 0 0 "[ . 1 . ]" 1
244 1 25 ARG HE 1 25 ARG HG3 4.100 . 4.100 2.992 2.329 4.116 0.016 13 0 "[ . 1 . ]" 1
245 1 25 ARG HE 1 25 ARG HG2 4.100 . 4.100 3.548 2.281 3.944 . 0 0 "[ . 1 . ]" 1
246 1 26 GLY H 1 26 GLY HA3 3.000 . 3.000 2.903 2.812 2.948 . 0 0 "[ . 1 . ]" 1
247 1 26 GLY H 1 26 GLY HA2 3.000 . 3.000 2.358 2.327 2.375 . 0 0 "[ . 1 . ]" 1
248 1 26 GLY H 1 27 TYR H 2.800 . 2.800 2.448 2.328 2.672 . 0 0 "[ . 1 . ]" 1
249 1 27 TYR H 1 28 LYS H 4.900 . 4.900 4.560 4.496 4.599 . 0 0 "[ . 1 . ]" 1
250 1 27 TYR HA 1 28 LYS H 3.300 . 3.300 2.350 2.059 2.480 . 0 0 "[ . 1 . ]" 1
251 1 27 TYR HB3 1 28 LYS H 6.000 . 6.000 2.428 2.062 2.948 . 0 0 "[ . 1 . ]" 1
252 1 27 TYR HB2 1 28 LYS H 6.000 . 6.000 3.634 3.417 3.951 . 0 0 "[ . 1 . ]" 1
253 1 28 LYS H 1 29 GLY H 6.000 . 6.000 3.802 2.428 4.552 . 0 0 "[ . 1 . ]" 1
254 1 28 LYS H 1 42 CYS HB3 6.000 . 6.000 4.128 3.181 5.498 . 0 0 "[ . 1 . ]" 1
255 1 28 LYS H 1 44 THR HA 4.200 . 4.200 4.113 3.780 4.280 0.080 13 0 "[ . 1 . ]" 1
256 1 28 LYS HB3 1 29 GLY H 4.100 . 4.100 3.200 2.337 3.943 . 0 0 "[ . 1 . ]" 1
257 1 28 LYS HB2 1 29 GLY H 4.100 . 4.100 3.068 2.198 3.756 . 0 0 "[ . 1 . ]" 1
258 1 29 GLY H 1 30 GLY H 4.900 . 4.900 4.301 4.171 4.411 . 0 0 "[ . 1 . ]" 1
259 1 30 GLY H 1 31 HIS H 4.400 . 4.400 4.378 4.274 4.432 0.032 18 0 "[ . 1 . ]" 1
260 1 30 GLY HA3 1 31 HIS H 3.000 . 3.000 2.539 2.369 2.859 . 0 0 "[ . 1 . ]" 1
261 1 30 GLY HA3 1 42 CYS HA 2.500 . 2.500 2.349 1.984 2.519 0.019 13 0 "[ . 1 . ]" 1
262 1 30 GLY HA3 1 43 GLU HG3 7.800 . 7.800 5.466 3.534 7.308 . 0 0 "[ . 1 . ]" 1
263 1 30 GLY HA3 1 43 GLU HG2 7.800 . 7.800 6.133 3.753 7.375 . 0 0 "[ . 1 . ]" 1
264 1 30 GLY HA2 1 31 HIS H 3.000 . 3.000 2.491 2.204 2.754 . 0 0 "[ . 1 . ]" 1
265 1 30 GLY HA2 1 42 CYS HA 2.500 . 2.500 2.162 1.893 2.500 . 0 0 "[ . 1 . ]" 1
266 1 30 GLY HA2 1 43 GLU HG3 7.800 . 7.800 3.806 2.114 5.587 . 0 0 "[ . 1 . ]" 1
267 1 30 GLY HA2 1 43 GLU HG2 7.800 . 7.800 4.479 2.093 5.783 . 0 0 "[ . 1 . ]" 1
268 1 31 HIS H 1 31 HIS HB3 4.200 . 4.200 3.449 3.296 3.587 . 0 0 "[ . 1 . ]" 1
269 1 31 HIS H 1 31 HIS HD2 6.000 . 6.000 4.241 3.545 5.006 . 0 0 "[ . 1 . ]" 1
270 1 31 HIS H 1 41 TRP H 3.400 . 3.400 3.160 2.850 3.441 0.041 18 0 "[ . 1 . ]" 1
271 1 31 HIS H 1 42 CYS HA 4.100 . 4.100 3.184 2.832 3.513 . 0 0 "[ . 1 . ]" 1
272 1 31 HIS HA 1 32 CYS H 2.600 . 2.600 2.445 2.327 2.547 . 0 0 "[ . 1 . ]" 1
273 1 31 HIS HB2 1 32 CYS H 3.100 . 3.100 2.392 2.227 2.734 . 0 0 "[ . 1 . ]" 1
274 1 31 HIS HB3 1 32 CYS H 6.000 . 6.000 3.753 3.590 3.999 . 0 0 "[ . 1 . ]" 1
275 1 31 HIS HD2 1 32 CYS H 4.200 . 4.200 3.650 3.206 4.065 . 0 0 "[ . 1 . ]" 1
276 1 31 HIS HD2 1 33 GLY HA3 4.800 . 4.800 4.793 4.562 4.886 0.086 8 0 "[ . 1 . ]" 1
277 1 31 HIS HD2 1 33 GLY HA2 4.800 . 4.800 3.648 3.081 4.457 . 0 0 "[ . 1 . ]" 1
278 1 31 HIS HE1 1 43 GLU HG3 5.600 . 5.600 3.353 2.180 5.467 . 0 0 "[ . 1 . ]" 1
279 1 31 HIS HE1 1 43 GLU HG2 5.600 . 5.600 3.681 2.077 5.171 . 0 0 "[ . 1 . ]" 1
280 1 32 CYS H 1 32 CYS HB2 2.800 . 2.800 2.398 2.333 2.468 . 0 0 "[ . 1 . ]" 1
281 1 32 CYS HA 1 33 GLY H 2.500 . 2.500 2.226 2.188 2.269 . 0 0 "[ . 1 . ]" 1
282 1 32 CYS HA 1 40 CYS HA 2.500 . 2.500 2.001 1.926 2.100 . 0 0 "[ . 1 . ]" 1
283 1 32 CYS HA 1 41 TRP H 3.500 . 3.500 3.205 2.808 3.413 . 0 0 "[ . 1 . ]" 1
284 1 32 CYS HA 1 41 TRP HD1 5.300 . 5.300 4.000 3.515 4.820 . 0 0 "[ . 1 . ]" 1
285 1 32 CYS HB3 1 33 GLY H 2.800 . 2.800 2.795 2.703 2.827 0.027 2 0 "[ . 1 . ]" 1
286 1 33 GLY H 1 33 GLY HA3 2.700 . 2.700 2.421 2.280 2.606 . 0 0 "[ . 1 . ]" 1
287 1 33 GLY H 1 33 GLY HA2 2.700 . 2.700 2.612 2.417 2.756 0.056 6 0 "[ . 1 . ]" 1
288 1 33 GLY H 1 39 ASN H 4.300 . 4.300 3.534 3.303 3.785 . 0 0 "[ . 1 . ]" 1
289 1 33 GLY H 1 40 CYS HA 3.100 . 3.100 2.755 2.518 3.042 . 0 0 "[ . 1 . ]" 1
290 1 33 GLY H 1 41 TRP HD1 6.000 . 6.000 3.148 2.687 3.793 . 0 0 "[ . 1 . ]" 1
291 1 33 GLY HA3 1 41 TRP HD1 5.000 . 5.000 4.069 3.181 4.741 . 0 0 "[ . 1 . ]" 1
292 1 33 GLY HA2 1 41 TRP HD1 5.000 . 5.000 3.132 2.262 4.044 . 0 0 "[ . 1 . ]" 1
293 1 34 SER H 1 35 PHE H 2.600 . 2.600 2.339 1.986 2.651 0.051 12 0 "[ . 1 . ]" 1
294 1 34 SER HB3 1 35 PHE H 6.000 . 6.000 2.702 1.992 3.631 . 0 0 "[ . 1 . ]" 1
295 1 34 SER HB2 1 35 PHE H 6.000 . 6.000 3.359 2.086 3.835 . 0 0 "[ . 1 . ]" 1
296 1 35 PHE H 1 35 PHE HB3 3.200 . 3.200 3.012 2.628 3.215 0.015 7 0 "[ . 1 . ]" 1
297 1 35 PHE H 1 35 PHE HB2 3.200 . 3.200 3.035 2.531 3.280 0.080 11 0 "[ . 1 . ]" 1
298 1 35 PHE H 1 36 ALA H 3.100 . 3.100 2.949 2.597 3.157 0.057 13 0 "[ . 1 . ]" 1
299 1 35 PHE HA 1 36 ALA HA 4.300 . 4.300 4.322 4.262 4.376 0.076 4 0 "[ . 1 . ]" 1
300 1 35 PHE HA 1 36 ALA MB 6.800 . 6.800 4.227 3.970 4.814 . 0 0 "[ . 1 . ]" 1
301 1 35 PHE HA 1 37 ASN H 4.300 . 4.300 4.141 3.882 4.335 0.035 3 0 "[ . 1 . ]" 1
302 1 35 PHE HB3 1 36 ALA H 4.700 . 4.700 4.115 2.016 4.360 . 0 0 "[ . 1 . ]" 1
303 1 35 PHE HB2 1 36 ALA H 4.700 . 4.700 4.470 3.449 4.603 . 0 0 "[ . 1 . ]" 1
304 1 36 ALA H 1 36 ALA HA 2.700 . 2.700 2.571 2.306 2.817 0.117 8 0 "[ . 1 . ]" 1
305 1 36 ALA H 1 37 ASN H 2.500 . 2.500 2.322 1.857 2.518 0.018 15 0 "[ . 1 . ]" 1
306 1 37 ASN H 1 37 ASN HA 2.800 . 2.800 2.806 2.352 2.925 0.125 14 0 "[ . 1 . ]" 1
307 1 37 ASN H 1 37 ASN HB3 3.500 . 3.500 2.764 2.444 3.557 0.057 8 0 "[ . 1 . ]" 1
308 1 37 ASN H 1 37 ASN HB2 3.500 . 3.500 2.695 2.167 3.573 0.073 15 0 "[ . 1 . ]" 1
309 1 37 ASN H 1 38 VAL H 4.200 . 4.200 3.542 2.254 4.279 0.079 9 0 "[ . 1 . ]" 1
310 1 37 ASN H 1 38 VAL MG1 7.000 . 7.000 4.617 3.588 5.658 . 0 0 "[ . 1 . ]" 1
311 1 37 ASN H 1 38 VAL MG2 7.000 . 7.000 5.434 4.812 5.904 . 0 0 "[ . 1 . ]" 1
312 1 38 VAL H 1 39 ASN H 3.800 . 3.800 2.311 1.893 2.825 . 0 0 "[ . 1 . ]" 1
313 1 38 VAL HA 1 38 VAL HB 2.800 . 2.800 2.574 2.270 2.795 . 0 0 "[ . 1 . ]" 1
314 1 38 VAL HB 1 39 ASN H 4.400 . 4.400 4.135 3.486 4.466 0.066 13 0 "[ . 1 . ]" 1
315 1 38 VAL MG1 1 39 ASN H 7.000 . 7.000 3.492 1.983 4.560 . 0 0 "[ . 1 . ]" 1
316 1 38 VAL MG1 1 39 ASN HD21 10.100 . 10.100 4.634 1.736 6.961 0.064 9 0 "[ . 1 . ]" 1
317 1 38 VAL MG1 1 39 ASN HD22 10.100 . 10.100 4.748 2.653 6.368 . 0 0 "[ . 1 . ]" 1
318 1 38 VAL MG2 1 39 ASN H 7.000 . 7.000 3.803 1.960 4.459 . 0 0 "[ . 1 . ]" 1
319 1 38 VAL MG2 1 39 ASN HD21 10.100 . 10.100 4.129 2.264 6.770 . 0 0 "[ . 1 . ]" 1
320 1 38 VAL MG2 1 39 ASN HD22 10.100 . 10.100 4.068 2.260 6.046 . 0 0 "[ . 1 . ]" 1
321 1 39 ASN H 1 39 ASN HB3 3.700 . 3.700 3.757 3.672 3.827 0.127 11 0 "[ . 1 . ]" 1
322 1 39 ASN H 1 39 ASN HB2 3.700 . 3.700 2.801 2.570 2.988 . 0 0 "[ . 1 . ]" 1
323 1 39 ASN H 1 41 TRP HD1 6.000 . 6.000 4.961 4.602 5.255 . 0 0 "[ . 1 . ]" 1
324 1 39 ASN HA 1 40 CYS H 2.600 . 2.600 2.283 2.124 2.598 . 0 0 "[ . 1 . ]" 1
325 1 39 ASN HB3 1 41 TRP HE1 2.600 . 2.600 2.562 2.256 2.669 0.069 14 0 "[ . 1 . ]" 1
326 1 39 ASN HB2 1 41 TRP HE1 2.600 . 2.600 2.595 2.319 2.655 0.055 9 0 "[ . 1 . ]" 1
327 1 40 CYS H 1 40 CYS HB3 3.200 . 3.200 3.072 2.245 3.238 0.038 18 0 "[ . 1 . ]" 1
328 1 40 CYS H 1 40 CYS HB2 3.200 . 3.200 2.550 2.331 3.247 0.047 15 0 "[ . 1 . ]" 1
329 1 40 CYS HA 1 41 TRP H 2.500 . 2.500 2.184 2.093 2.296 . 0 0 "[ . 1 . ]" 1
330 1 40 CYS HB3 1 41 TRP H 6.000 . 6.000 3.412 3.041 4.305 . 0 0 "[ . 1 . ]" 1
331 1 40 CYS HB2 1 41 TRP H 6.000 . 6.000 4.197 3.753 4.354 . 0 0 "[ . 1 . ]" 1
332 1 41 TRP H 1 41 TRP HD1 4.500 . 4.500 2.890 2.351 3.278 . 0 0 "[ . 1 . ]" 1
333 1 41 TRP H 1 42 CYS H 5.200 . 5.200 4.433 4.332 4.500 . 0 0 "[ . 1 . ]" 1
334 1 41 TRP HB3 1 41 TRP HZ3 6.000 . 6.000 4.605 4.493 4.663 . 0 0 "[ . 1 . ]" 1
335 1 41 TRP HB3 1 42 CYS H 4.300 . 4.300 2.602 2.342 2.869 . 0 0 "[ . 1 . ]" 1
336 1 41 TRP HB2 1 41 TRP HZ3 6.000 . 6.000 6.000 5.923 6.028 0.028 7 0 "[ . 1 . ]" 1
337 1 41 TRP HB2 1 42 CYS H 4.300 . 4.300 3.687 3.397 3.940 . 0 0 "[ . 1 . ]" 1
338 1 41 TRP HE3 1 42 CYS H 6.000 . 6.000 3.627 3.253 3.901 . 0 0 "[ . 1 . ]" 1
339 1 41 TRP HZ3 1 42 CYS H 6.000 . 6.000 5.807 5.374 6.060 0.060 13 0 "[ . 1 . ]" 1
340 1 42 CYS H 1 42 CYS HB2 3.000 . 3.000 2.417 2.334 2.478 . 0 0 "[ . 1 . ]" 1
341 1 42 CYS H 1 42 CYS HB3 3.700 . 3.700 3.540 2.904 3.688 . 0 0 "[ . 1 . ]" 1
342 1 42 CYS H 1 43 GLU H 4.900 . 4.900 4.493 4.415 4.572 . 0 0 "[ . 1 . ]" 1
343 1 42 CYS HA 1 42 CYS HB3 3.000 . 3.000 2.600 2.497 2.963 . 0 0 "[ . 1 . ]" 1
344 1 42 CYS HA 1 43 GLU H 2.600 . 2.600 2.474 2.342 2.633 0.033 16 0 "[ . 1 . ]" 1
345 1 42 CYS HB2 1 43 GLU H 6.000 . 6.000 3.550 3.155 4.086 . 0 0 "[ . 1 . ]" 1
346 1 42 CYS HB3 1 43 GLU H 6.000 . 6.000 2.341 1.962 3.165 . 0 0 "[ . 1 . ]" 1
347 1 43 GLU H 1 44 THR H 3.200 . 3.200 3.249 3.210 3.299 0.099 9 0 "[ . 1 . ]" 1
348 1 43 GLU HA 1 44 THR H 2.500 . 2.500 2.389 2.262 2.521 0.021 13 0 "[ . 1 . ]" 1
349 1 43 GLU HA 1 44 THR MG 7.000 . 7.000 4.042 3.696 4.443 . 0 0 "[ . 1 . ]" 1
350 1 43 GLU HB3 1 44 THR H 5.100 . 5.100 4.333 4.182 4.522 . 0 0 "[ . 1 . ]" 1
351 1 43 GLU HB2 1 44 THR H 5.100 . 5.100 4.456 4.241 4.616 . 0 0 "[ . 1 . ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 193
_Distance_constraint_stats_list.Viol_count 71
_Distance_constraint_stats_list.Viol_total 188.786
_Distance_constraint_stats_list.Viol_max 0.375
_Distance_constraint_stats_list.Viol_rms 0.0255
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0030
_Distance_constraint_stats_list.Viol_average_violations_only 0.1477
_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 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 2 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 3 LEU 0.302 0.158 9 0 "[ . 1 . ]"
1 4 ILE 0.302 0.158 9 0 "[ . 1 . ]"
1 5 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 6 SER 3.055 0.340 2 0 "[ . 1 . ]"
1 7 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 8 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 9 TRP 0.000 0.000 . 0 "[ . 1 . ]"
1 10 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 11 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 12 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 13 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 14 TYR 0.000 0.000 . 0 "[ . 1 . ]"
1 15 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 16 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 17 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 18 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 19 ASN 0.406 0.093 9 0 "[ . 1 . ]"
1 20 GLY 0.989 0.142 11 0 "[ . 1 . ]"
1 21 GLU 0.989 0.142 11 0 "[ . 1 . ]"
1 22 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 23 LEU 0.406 0.093 9 0 "[ . 1 . ]"
1 24 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 25 ARG 0.000 0.000 . 0 "[ . 1 . ]"
1 26 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 27 TYR 0.000 0.000 . 0 "[ . 1 . ]"
1 28 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 29 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 30 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 31 HIS 0.000 0.000 . 0 "[ . 1 . ]"
1 32 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 33 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 34 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 35 PHE 0.000 0.000 . 0 "[ . 1 . ]"
1 36 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 37 ASN 3.195 0.375 4 0 "[ . 1 . ]"
1 38 VAL 0.089 0.089 9 0 "[ . 1 . ]"
1 39 ASN 0.089 0.089 9 0 "[ . 1 . ]"
1 40 CYS 2.453 0.293 11 0 "[ . 1 . ]"
1 41 TRP 0.000 0.000 . 0 "[ . 1 . ]"
1 42 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 43 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 44 THR 0.000 0.000 . 0 "[ . 1 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 ASP QB 1 2 LYS H 3.200 . 3.200 2.570 2.185 2.872 . 0 0 "[ . 1 . ]" 2
2 1 1 ASP QB 1 2 LYS HA 6.900 . 6.900 4.233 4.069 4.429 . 0 0 "[ . 1 . ]" 2
3 1 1 ASP QB 1 41 TRP HE3 6.900 . 6.900 2.368 1.900 3.244 . 0 0 "[ . 1 . ]" 2
4 1 1 ASP QB 1 41 TRP HZ3 6.900 . 6.900 3.624 2.544 5.036 . 0 0 "[ . 1 . ]" 2
5 1 1 ASP QB 1 42 CYS H 6.900 . 6.900 3.487 2.781 4.482 . 0 0 "[ . 1 . ]" 2
6 1 1 ASP QB 1 43 GLU HA 6.900 . 6.900 4.341 3.075 5.555 . 0 0 "[ . 1 . ]" 2
7 1 2 LYS HA 1 2 LYS QG 3.400 . 3.400 2.582 2.313 2.855 . 0 0 "[ . 1 . ]" 2
8 1 2 LYS QB 1 3 LEU H 5.800 . 5.800 3.698 2.913 3.984 . 0 0 "[ . 1 . ]" 2
9 1 2 LYS QB 1 27 TYR QE 9.000 . 9.000 2.821 2.114 4.028 . 0 0 "[ . 1 . ]" 2
10 1 2 LYS QB 1 42 CYS H 6.900 . 6.900 3.561 2.983 3.859 . 0 0 "[ . 1 . ]" 2
11 1 2 LYS QG 1 3 LEU H 6.900 . 6.900 4.088 3.028 4.602 . 0 0 "[ . 1 . ]" 2
12 1 2 LYS QG 1 27 TYR QE 9.000 . 9.000 2.695 2.263 3.259 . 0 0 "[ . 1 . ]" 2
13 1 2 LYS QG 1 28 LYS QD 7.800 . 7.800 6.107 5.550 6.359 . 0 0 "[ . 1 . ]" 2
14 1 2 LYS QD 1 3 LEU H 4.800 . 4.800 3.284 1.942 4.309 . 0 0 "[ . 1 . ]" 2
15 1 2 LYS QD 1 27 TYR QE 9.000 . 9.000 3.536 2.080 4.558 . 0 0 "[ . 1 . ]" 2
16 1 3 LEU H 1 3 LEU QB 3.500 . 3.500 2.225 2.175 2.361 . 0 0 "[ . 1 . ]" 2
17 1 3 LEU QB 1 4 ILE H 3.700 . 3.700 3.294 3.222 3.347 . 0 0 "[ . 1 . ]" 2
18 1 3 LEU QB 1 41 TRP HE3 6.900 . 6.900 3.268 2.828 3.928 . 0 0 "[ . 1 . ]" 2
19 1 3 LEU QB 1 41 TRP HZ3 5.300 . 5.300 2.887 2.326 3.441 . 0 0 "[ . 1 . ]" 2
20 1 3 LEU QB 1 41 TRP HH2 6.200 . 6.200 3.647 3.153 4.218 . 0 0 "[ . 1 . ]" 2
21 1 3 LEU QD 1 4 ILE H 6.100 . 6.100 2.132 1.642 2.313 0.158 9 0 "[ . 1 . ]" 2
22 1 3 LEU QD 1 5 GLY H 4.200 . 4.200 2.449 2.094 2.696 . 0 0 "[ . 1 . ]" 2
23 1 3 LEU QD 1 39 ASN HA 8.400 . 8.400 4.369 3.538 5.176 . 0 0 "[ . 1 . ]" 2
24 1 3 LEU QD 1 39 ASN QB 5.500 . 5.500 2.963 2.515 3.447 . 0 0 "[ . 1 . ]" 2
25 1 3 LEU QD 1 39 ASN QD 7.200 . 7.200 3.413 1.992 4.759 . 0 0 "[ . 1 . ]" 2
26 1 3 LEU QD 1 40 CYS H 6.300 . 6.300 3.782 3.394 4.150 . 0 0 "[ . 1 . ]" 2
27 1 3 LEU QD 1 41 TRP HA 8.600 . 8.600 3.903 2.658 4.335 . 0 0 "[ . 1 . ]" 2
28 1 3 LEU QD 1 41 TRP HD1 8.600 . 8.600 4.584 3.828 5.372 . 0 0 "[ . 1 . ]" 2
29 1 3 LEU QD 1 41 TRP HE3 8.600 . 8.600 3.855 3.311 4.439 . 0 0 "[ . 1 . ]" 2
30 1 3 LEU QD 1 41 TRP HE1 6.200 . 6.200 3.599 2.825 4.362 . 0 0 "[ . 1 . ]" 2
31 1 3 LEU QD 1 41 TRP HZ2 8.600 . 8.600 2.802 2.402 3.158 . 0 0 "[ . 1 . ]" 2
32 1 4 ILE H 1 4 ILE QG 4.400 . 4.400 2.348 1.980 2.770 . 0 0 "[ . 1 . ]" 2
33 1 4 ILE MG 1 21 GLU QB 7.900 . 7.900 3.164 2.078 3.971 . 0 0 "[ . 1 . ]" 2
34 1 4 ILE MG 1 21 GLU QG 7.900 . 7.900 3.210 2.298 4.235 . 0 0 "[ . 1 . ]" 2
35 1 4 ILE MG 1 27 TYR QD 9.200 . 9.200 2.964 2.406 4.951 . 0 0 "[ . 1 . ]" 2
36 1 4 ILE MG 1 27 TYR QE 9.200 . 9.200 3.200 2.351 4.972 . 0 0 "[ . 1 . ]" 2
37 1 4 ILE MG 1 40 CYS QB 7.900 . 7.900 4.207 3.000 5.245 . 0 0 "[ . 1 . ]" 2
38 1 4 ILE QG 1 5 GLY H 6.400 . 6.400 2.135 1.816 3.853 . 0 0 "[ . 1 . ]" 2
39 1 4 ILE MD 1 5 GLY QA 7.900 . 7.900 4.587 4.114 5.525 . 0 0 "[ . 1 . ]" 2
40 1 4 ILE MD 1 21 GLU QG 7.900 . 7.900 3.100 1.947 4.432 . 0 0 "[ . 1 . ]" 2
41 1 4 ILE MD 1 27 TYR QD 9.200 . 9.200 4.637 3.912 5.321 . 0 0 "[ . 1 . ]" 2
42 1 4 ILE MD 1 27 TYR QE 9.200 . 9.200 5.627 4.916 6.646 . 0 0 "[ . 1 . ]" 2
43 1 4 ILE MD 1 40 CYS QB 7.900 . 7.900 2.231 1.837 3.615 . 0 0 "[ . 1 . ]" 2
44 1 5 GLY H 1 40 CYS QB 4.600 . 4.600 3.251 2.677 3.611 . 0 0 "[ . 1 . ]" 2
45 1 5 GLY QA 1 6 SER H 2.800 . 2.800 2.211 2.150 2.259 . 0 0 "[ . 1 . ]" 2
46 1 5 GLY QA 1 13 ASN QB 3.900 . 3.900 2.706 2.317 3.113 . 0 0 "[ . 1 . ]" 2
47 1 5 GLY QA 1 13 ASN QD 6.300 . 6.300 4.172 3.074 4.955 . 0 0 "[ . 1 . ]" 2
48 1 6 SER H 1 6 SER QB 3.000 2.500 3.500 2.347 2.160 2.626 0.340 2 0 "[ . 1 . ]" 2
49 1 6 SER QB 1 7 CYS H 3.700 . 3.700 2.609 2.155 3.239 . 0 0 "[ . 1 . ]" 2
50 1 6 SER QB 1 8 VAL H 3.500 . 3.500 2.845 2.504 3.157 . 0 0 "[ . 1 . ]" 2
51 1 6 SER QB 1 11 ALA MB 4.400 . 4.400 2.922 2.689 3.151 . 0 0 "[ . 1 . ]" 2
52 1 7 CYS H 1 7 CYS QB 3.200 . 3.200 2.618 2.375 2.763 . 0 0 "[ . 1 . ]" 2
53 1 7 CYS HA 1 14 TYR QD 6.700 . 6.700 3.841 3.144 4.790 . 0 0 "[ . 1 . ]" 2
54 1 7 CYS HA 1 14 TYR QE 6.700 . 6.700 4.169 3.198 5.323 . 0 0 "[ . 1 . ]" 2
55 1 7 CYS QB 1 8 VAL H 5.600 . 5.600 3.937 3.765 4.034 . 0 0 "[ . 1 . ]" 2
56 1 7 CYS QB 1 32 CYS HB3 3.400 . 3.400 2.982 2.702 3.065 . 0 0 "[ . 1 . ]" 2
57 1 8 VAL H 1 14 TYR QD 7.800 . 7.800 2.772 1.968 3.817 . 0 0 "[ . 1 . ]" 2
58 1 8 VAL HA 1 9 TRP QB 6.900 . 6.900 4.087 3.941 4.291 . 0 0 "[ . 1 . ]" 2
59 1 8 VAL HA 1 14 TYR QE 8.100 . 8.100 4.639 3.499 5.912 . 0 0 "[ . 1 . ]" 2
60 1 8 VAL MG1 1 14 TYR QD 9.200 . 9.200 4.743 4.444 5.027 . 0 0 "[ . 1 . ]" 2
61 1 8 VAL MG1 1 14 TYR QE 9.200 . 9.200 5.387 4.848 6.033 . 0 0 "[ . 1 . ]" 2
62 1 9 TRP H 1 9 TRP QB 3.700 . 3.700 2.218 2.132 2.394 . 0 0 "[ . 1 . ]" 2
63 1 9 TRP H 1 14 TYR QD 8.100 . 8.100 4.559 3.965 5.090 . 0 0 "[ . 1 . ]" 2
64 1 9 TRP H 1 14 TYR QE 8.000 . 8.000 4.057 3.474 4.952 . 0 0 "[ . 1 . ]" 2
65 1 9 TRP QB 1 10 GLY H 6.900 . 6.900 3.949 3.851 4.013 . 0 0 "[ . 1 . ]" 2
66 1 9 TRP QB 1 14 TYR QD 9.000 . 9.000 4.917 4.186 5.578 . 0 0 "[ . 1 . ]" 2
67 1 9 TRP QB 1 14 TYR QE 9.000 . 9.000 3.799 3.084 4.656 . 0 0 "[ . 1 . ]" 2
68 1 9 TRP HD1 1 14 TYR QE 8.100 . 8.100 4.124 2.110 5.944 . 0 0 "[ . 1 . ]" 2
69 1 9 TRP HE3 1 10 GLY QA 6.700 . 6.700 4.141 2.742 6.053 . 0 0 "[ . 1 . ]" 2
70 1 9 TRP HE3 1 14 TYR QE 8.100 . 8.100 4.225 2.571 5.878 . 0 0 "[ . 1 . ]" 2
71 1 11 ALA H 1 14 TYR QB 4.200 . 4.200 2.983 2.700 3.308 . 0 0 "[ . 1 . ]" 2
72 1 11 ALA MB 1 14 TYR QB 6.900 . 6.900 3.428 2.934 3.884 . 0 0 "[ . 1 . ]" 2
73 1 11 ALA MB 1 14 TYR QD 9.200 . 9.200 4.085 3.699 4.674 . 0 0 "[ . 1 . ]" 2
74 1 12 VAL MG1 1 13 ASN QD 6.400 . 6.400 3.317 2.264 4.013 . 0 0 "[ . 1 . ]" 2
75 1 12 VAL MG2 1 13 ASN QD 7.900 . 7.900 4.661 3.554 5.908 . 0 0 "[ . 1 . ]" 2
76 1 14 TYR QD 1 15 THR H 8.100 . 8.100 2.675 2.092 3.468 . 0 0 "[ . 1 . ]" 2
77 1 14 TYR QD 1 15 THR MG 9.200 . 9.200 5.139 4.395 5.453 . 0 0 "[ . 1 . ]" 2
78 1 14 TYR QD 1 16 SER HB3 7.700 . 7.700 5.432 3.349 6.693 . 0 0 "[ . 1 . ]" 2
79 1 14 TYR QD 1 16 SER HB2 7.700 . 7.700 4.398 3.194 6.091 . 0 0 "[ . 1 . ]" 2
80 1 14 TYR QD 1 16 SER QB 7.500 . 7.500 4.145 3.150 5.419 . 0 0 "[ . 1 . ]" 2
81 1 14 TYR QE 1 15 THR MG 9.200 . 9.200 5.130 4.662 5.406 . 0 0 "[ . 1 . ]" 2
82 1 14 TYR QE 1 16 SER H 8.100 . 8.100 4.068 2.732 5.662 . 0 0 "[ . 1 . ]" 2
83 1 14 TYR QE 1 16 SER HB3 6.700 . 6.700 4.213 2.621 5.852 . 0 0 "[ . 1 . ]" 2
84 1 14 TYR QE 1 16 SER HB2 6.700 . 6.700 3.233 2.252 4.750 . 0 0 "[ . 1 . ]" 2
85 1 14 TYR QE 1 16 SER QB 6.500 . 6.500 3.065 2.128 4.291 . 0 0 "[ . 1 . ]" 2
86 1 15 THR MG 1 21 GLU QB 7.900 . 7.900 2.657 2.083 3.786 . 0 0 "[ . 1 . ]" 2
87 1 15 THR MG 1 21 GLU QG 7.900 . 7.900 3.709 2.701 5.222 . 0 0 "[ . 1 . ]" 2
88 1 15 THR MG 1 40 CYS QB 4.400 . 4.400 2.754 2.542 3.096 . 0 0 "[ . 1 . ]" 2
89 1 16 SER H 1 16 SER QB 3.700 . 3.700 3.063 2.654 3.319 . 0 0 "[ . 1 . ]" 2
90 1 16 SER QB 1 17 ASP H 4.000 . 4.000 2.570 2.220 3.270 . 0 0 "[ . 1 . ]" 2
91 1 18 CYS HA 1 21 GLU QB 5.100 . 5.100 2.823 2.402 3.168 . 0 0 "[ . 1 . ]" 2
92 1 19 ASN H 1 19 ASN QB 3.400 . 3.400 2.243 2.113 2.530 . 0 0 "[ . 1 . ]" 2
93 1 19 ASN HA 1 30 GLY QA 4.200 . 4.200 3.470 2.609 3.700 . 0 0 "[ . 1 . ]" 2
94 1 19 ASN QB 1 20 GLY H 3.200 . 3.200 2.614 2.279 2.871 . 0 0 "[ . 1 . ]" 2
95 1 19 ASN QB 1 30 GLY H 5.200 . 5.200 3.786 3.309 4.216 . 0 0 "[ . 1 . ]" 2
96 1 19 ASN HD21 1 23 LEU QD 7.400 . 7.400 2.484 1.850 4.881 . 0 0 "[ . 1 . ]" 2
97 1 19 ASN HD22 1 23 LEU QD 7.400 . 7.400 2.514 1.905 5.477 . 0 0 "[ . 1 . ]" 2
98 1 19 ASN QD 1 23 LEU QD 6.800 . 6.800 2.177 1.707 4.562 0.093 9 0 "[ . 1 . ]" 2
99 1 20 GLY HA3 1 23 LEU QD 6.900 . 6.900 4.020 3.729 4.390 . 0 0 "[ . 1 . ]" 2
100 1 20 GLY HA2 1 23 LEU QD 6.900 . 6.900 2.578 2.266 2.974 . 0 0 "[ . 1 . ]" 2
101 1 20 GLY QA 1 21 GLU H 3.000 2.500 3.500 2.450 2.358 2.546 0.142 11 0 "[ . 1 . ]" 2
102 1 20 GLY QA 1 22 CYS H 5.600 . 5.600 3.743 3.650 3.845 . 0 0 "[ . 1 . ]" 2
103 1 20 GLY QA 1 23 LEU H 4.700 . 4.700 3.202 3.044 3.295 . 0 0 "[ . 1 . ]" 2
104 1 20 GLY QA 1 23 LEU HB2 4.300 . 4.300 2.362 2.183 2.449 . 0 0 "[ . 1 . ]" 2
105 1 20 GLY QA 1 23 LEU HB3 5.600 . 5.600 3.794 3.660 3.897 . 0 0 "[ . 1 . ]" 2
106 1 20 GLY QA 1 23 LEU QD 6.300 . 6.300 2.549 2.248 2.928 . 0 0 "[ . 1 . ]" 2
107 1 21 GLU H 1 21 GLU QB 3.500 . 3.500 2.145 1.995 2.247 . 0 0 "[ . 1 . ]" 2
108 1 21 GLU HA 1 21 GLU QG 3.900 . 3.900 2.538 2.109 3.016 . 0 0 "[ . 1 . ]" 2
109 1 21 GLU HA 1 24 LEU QB 4.400 . 4.400 2.212 2.152 2.308 . 0 0 "[ . 1 . ]" 2
110 1 21 GLU HA 1 24 LEU QD 6.000 . 6.000 2.279 2.103 2.434 . 0 0 "[ . 1 . ]" 2
111 1 21 GLU QB 1 22 CYS H 3.200 . 3.200 2.649 2.486 2.882 . 0 0 "[ . 1 . ]" 2
112 1 21 GLU QG 1 25 ARG HE 4.200 . 4.200 3.110 2.048 3.792 . 0 0 "[ . 1 . ]" 2
113 1 22 CYS H 1 23 LEU QD 8.100 . 8.100 4.847 4.633 5.122 . 0 0 "[ . 1 . ]" 2
114 1 22 CYS HB2 1 30 GLY QA 6.900 . 6.900 3.267 2.579 3.599 . 0 0 "[ . 1 . ]" 2
115 1 22 CYS HB3 1 27 TYR QB 6.900 . 6.900 2.309 2.082 2.563 . 0 0 "[ . 1 . ]" 2
116 1 22 CYS HB3 1 30 GLY QA 6.900 . 6.900 3.638 3.025 3.877 . 0 0 "[ . 1 . ]" 2
117 1 23 LEU HG 1 29 GLY QA 4.900 . 4.900 3.820 2.960 4.247 . 0 0 "[ . 1 . ]" 2
118 1 23 LEU QD 1 29 GLY H 8.100 . 8.100 4.552 3.549 5.703 . 0 0 "[ . 1 . ]" 2
119 1 24 LEU H 1 24 LEU QB 2.700 . 2.700 1.930 1.905 1.952 . 0 0 "[ . 1 . ]" 2
120 1 24 LEU QB 1 25 ARG H 4.500 . 4.500 2.683 2.608 2.758 . 0 0 "[ . 1 . ]" 2
121 1 25 ARG H 1 25 ARG QB 3.700 . 3.700 2.321 2.177 2.541 . 0 0 "[ . 1 . ]" 2
122 1 25 ARG H 1 25 ARG QG 4.700 . 4.700 3.343 2.431 3.808 . 0 0 "[ . 1 . ]" 2
123 1 25 ARG H 1 27 TYR QD 7.700 . 7.700 4.554 4.284 5.192 . 0 0 "[ . 1 . ]" 2
124 1 25 ARG HA 1 25 ARG QG 3.700 . 3.700 2.293 2.140 2.474 . 0 0 "[ . 1 . ]" 2
125 1 25 ARG HA 1 25 ARG QD 4.700 . 4.700 3.937 2.872 4.202 . 0 0 "[ . 1 . ]" 2
126 1 25 ARG HA 1 27 TYR QD 8.100 . 8.100 5.228 5.065 5.439 . 0 0 "[ . 1 . ]" 2
127 1 25 ARG HA 1 27 TYR QE 8.000 . 8.000 5.191 4.779 5.666 . 0 0 "[ . 1 . ]" 2
128 1 25 ARG HB3 1 27 TYR QD 6.700 . 6.700 3.306 3.067 3.758 . 0 0 "[ . 1 . ]" 2
129 1 25 ARG HB3 1 27 TYR QE 6.200 . 6.200 3.082 2.750 3.633 . 0 0 "[ . 1 . ]" 2
130 1 25 ARG HB2 1 27 TYR QD 6.700 . 6.700 2.827 2.480 3.377 . 0 0 "[ . 1 . ]" 2
131 1 25 ARG HB2 1 27 TYR QE 6.200 . 6.200 3.415 2.738 4.268 . 0 0 "[ . 1 . ]" 2
132 1 25 ARG QB 1 25 ARG HE 4.000 . 4.000 2.934 2.365 3.813 . 0 0 "[ . 1 . ]" 2
133 1 25 ARG QB 1 27 TYR QD 6.200 . 6.200 2.648 2.392 3.031 . 0 0 "[ . 1 . ]" 2
134 1 25 ARG QB 1 27 TYR QE 6.100 . 6.100 2.842 2.445 3.443 . 0 0 "[ . 1 . ]" 2
135 1 25 ARG HE 1 25 ARG QG 3.700 . 3.700 2.746 2.203 3.352 . 0 0 "[ . 1 . ]" 2
136 1 25 ARG QG 1 27 TYR QD 6.600 . 6.600 4.237 3.704 4.638 . 0 0 "[ . 1 . ]" 2
137 1 25 ARG QG 1 27 TYR QE 7.100 . 7.100 3.341 2.289 4.796 . 0 0 "[ . 1 . ]" 2
138 1 25 ARG HD3 1 27 TYR QE 7.400 . 7.400 3.632 2.323 5.009 . 0 0 "[ . 1 . ]" 2
139 1 25 ARG HD2 1 27 TYR QE 7.400 . 7.400 3.231 2.168 5.944 . 0 0 "[ . 1 . ]" 2
140 1 25 ARG QD 1 27 TYR QD 9.000 . 9.000 3.203 2.544 4.492 . 0 0 "[ . 1 . ]" 2
141 1 26 GLY H 1 27 TYR QD 8.100 . 8.100 4.989 4.702 5.297 . 0 0 "[ . 1 . ]" 2
142 1 27 TYR H 1 27 TYR QE 6.100 . 6.100 4.844 4.476 5.155 . 0 0 "[ . 1 . ]" 2
143 1 27 TYR QB 1 28 LYS QG 7.800 . 7.800 4.377 3.028 4.894 . 0 0 "[ . 1 . ]" 2
144 1 27 TYR QB 1 42 CYS HB3 4.800 . 4.800 2.518 2.023 3.797 . 0 0 "[ . 1 . ]" 2
145 1 27 TYR QB 1 43 GLU H 6.900 . 6.900 3.706 3.429 3.993 . 0 0 "[ . 1 . ]" 2
146 1 27 TYR QD 1 42 CYS HA 5.600 . 5.600 4.894 4.686 5.066 . 0 0 "[ . 1 . ]" 2
147 1 27 TYR QD 1 42 CYS HB3 6.600 . 6.600 3.554 3.220 4.005 . 0 0 "[ . 1 . ]" 2
148 1 27 TYR QD 1 44 THR HA 6.800 . 6.800 5.624 5.043 6.077 . 0 0 "[ . 1 . ]" 2
149 1 27 TYR QD 1 44 THR MG 9.200 . 9.200 3.790 2.624 5.008 . 0 0 "[ . 1 . ]" 2
150 1 27 TYR QE 1 28 LYS QG 9.000 . 9.000 6.978 6.357 7.218 . 0 0 "[ . 1 . ]" 2
151 1 27 TYR QE 1 42 CYS HB3 8.100 . 8.100 4.959 4.496 5.469 . 0 0 "[ . 1 . ]" 2
152 1 27 TYR QE 1 44 THR HA 8.100 . 8.100 6.824 6.134 7.288 . 0 0 "[ . 1 . ]" 2
153 1 27 TYR QE 1 44 THR HB 8.100 . 8.100 5.262 4.540 6.610 . 0 0 "[ . 1 . ]" 2
154 1 27 TYR QE 1 44 THR MG 7.000 . 7.000 4.098 3.199 5.052 . 0 0 "[ . 1 . ]" 2
155 1 28 LYS H 1 28 LYS QB 3.600 . 3.600 2.571 2.324 2.956 . 0 0 "[ . 1 . ]" 2
156 1 28 LYS QB 1 29 GLY H 3.700 . 3.700 2.555 2.168 2.951 . 0 0 "[ . 1 . ]" 2
157 1 28 LYS QG 1 29 GLY H 6.400 . 6.400 3.907 1.815 4.360 . 0 0 "[ . 1 . ]" 2
158 1 29 GLY QA 1 30 GLY H 3.200 . 3.200 2.214 2.125 2.310 . 0 0 "[ . 1 . ]" 2
159 1 30 GLY QA 1 31 HIS H 2.800 . 2.800 2.198 2.122 2.278 . 0 0 "[ . 1 . ]" 2
160 1 30 GLY QA 1 43 GLU H 4.200 . 4.200 2.640 2.068 3.194 . 0 0 "[ . 1 . ]" 2
161 1 30 GLY QA 1 43 GLU QG 6.300 . 6.300 3.393 2.008 4.831 . 0 0 "[ . 1 . ]" 2
162 1 31 HIS H 1 41 TRP QB 5.700 . 5.700 4.191 3.944 4.371 . 0 0 "[ . 1 . ]" 2
163 1 31 HIS HD2 1 33 GLY QA 4.400 . 4.400 3.521 3.035 4.076 . 0 0 "[ . 1 . ]" 2
164 1 31 HIS HD2 1 41 TRP QB 6.900 . 6.900 4.126 3.342 5.184 . 0 0 "[ . 1 . ]" 2
165 1 31 HIS HE1 1 41 TRP QB 6.900 . 6.900 4.191 2.505 5.401 . 0 0 "[ . 1 . ]" 2
166 1 31 HIS HE1 1 43 GLU QG 4.800 . 4.800 2.785 2.058 4.290 . 0 0 "[ . 1 . ]" 2
167 1 32 CYS HB3 1 37 ASN QB 4.900 . 4.900 4.081 3.187 4.416 . 0 0 "[ . 1 . ]" 2
168 1 33 GLY H 1 33 GLY QA 2.500 . 2.500 2.218 2.167 2.237 . 0 0 "[ . 1 . ]" 2
169 1 33 GLY QA 1 37 ASN HA 5.200 . 5.200 3.995 2.137 4.499 . 0 0 "[ . 1 . ]" 2
170 1 33 GLY QA 1 41 TRP HD1 4.200 . 4.200 3.010 2.217 3.684 . 0 0 "[ . 1 . ]" 2
171 1 34 SER H 1 34 SER QB 3.700 . 3.700 2.898 2.309 3.380 . 0 0 "[ . 1 . ]" 2
172 1 35 PHE QB 1 36 ALA H 4.500 . 4.500 3.784 2.003 3.975 . 0 0 "[ . 1 . ]" 2
173 1 35 PHE QD 1 36 ALA H 8.100 . 8.100 4.359 2.488 4.828 . 0 0 "[ . 1 . ]" 2
174 1 35 PHE QD 1 36 ALA MB 9.100 . 9.100 3.537 2.714 4.509 . 0 0 "[ . 1 . ]" 2
175 1 35 PHE QE 1 36 ALA MB 8.400 . 8.400 4.746 3.158 6.143 . 0 0 "[ . 1 . ]" 2
176 1 36 ALA MB 1 38 VAL QG 7.800 . 7.800 3.731 2.028 4.775 . 0 0 "[ . 1 . ]" 2
177 1 37 ASN H 1 37 ASN QB 3.000 2.500 3.500 2.349 2.125 2.741 0.375 4 0 "[ . 1 . ]" 2
178 1 38 VAL QG 1 39 ASN QD 8.000 . 8.000 2.962 1.711 4.214 0.089 9 0 "[ . 1 . ]" 2
179 1 39 ASN H 1 39 ASN QB 3.200 . 3.200 2.726 2.525 2.864 . 0 0 "[ . 1 . ]" 2
180 1 39 ASN QB 1 41 TRP HD1 6.900 . 6.900 3.456 2.924 3.950 . 0 0 "[ . 1 . ]" 2
181 1 39 ASN QD 1 41 TRP HE1 6.900 . 6.900 4.367 3.731 5.321 . 0 0 "[ . 1 . ]" 2
182 1 39 ASN QD 1 41 TRP HZ2 6.900 . 6.900 4.706 2.905 5.863 . 0 0 "[ . 1 . ]" 2
183 1 40 CYS H 1 40 CYS QB 3.000 2.500 3.500 2.364 2.207 2.473 0.293 11 0 "[ . 1 . ]" 2
184 1 40 CYS H 1 41 TRP QB 6.900 . 6.900 5.794 5.589 6.013 . 0 0 "[ . 1 . ]" 2
185 1 40 CYS QB 1 41 TRP H 5.300 . 5.300 3.235 2.965 3.576 . 0 0 "[ . 1 . ]" 2
186 1 41 TRP H 1 41 TRP QB 3.500 . 3.500 2.762 2.593 2.866 . 0 0 "[ . 1 . ]" 2
187 1 41 TRP HA 1 41 TRP QB 2.600 . 2.600 2.365 2.337 2.391 . 0 0 "[ . 1 . ]" 2
188 1 41 TRP QB 1 42 CYS H 4.000 . 4.000 2.551 2.308 2.782 . 0 0 "[ . 1 . ]" 2
189 1 42 CYS HA 1 43 GLU QG 6.900 . 6.900 4.420 2.697 5.658 . 0 0 "[ . 1 . ]" 2
190 1 43 GLU H 1 43 GLU QB 3.700 . 3.700 2.472 2.143 3.262 . 0 0 "[ . 1 . ]" 2
191 1 43 GLU H 1 43 GLU QG 4.700 . 4.700 3.404 2.132 4.196 . 0 0 "[ . 1 . ]" 2
192 1 43 GLU QB 1 44 THR H 4.400 . 4.400 3.909 3.823 3.967 . 0 0 "[ . 1 . ]" 2
193 1 43 GLU QG 1 44 THR H 4.900 . 4.900 4.258 3.889 4.444 . 0 0 "[ . 1 . ]" 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 24
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_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 2 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 5 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 6 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 13 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 17 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 18 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 19 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 20 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 21 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 22 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 23 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 24 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 26 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 27 TYR 0.000 0.000 . 0 "[ . 1 . ]"
1 31 HIS 0.000 0.000 . 0 "[ . 1 . ]"
1 33 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 39 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 40 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 41 TRP 0.000 0.000 . 0 "[ . 1 . ]"
1 42 CYS 0.000 0.000 . 0 "[ . 1 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 17 ASP O 1 21 GLU N 3.000 2.500 3.500 2.696 2.658 2.747 . 0 0 "[ . 1 . ]" 3
2 1 17 ASP O 1 21 GLU H 2.000 . 2.350 1.764 1.741 1.786 . 0 0 "[ . 1 . ]" 3
3 1 19 ASN O 1 23 LEU N 3.000 2.500 3.500 2.737 2.677 2.864 . 0 0 "[ . 1 . ]" 3
4 1 19 ASN O 1 23 LEU H 2.000 . 2.350 1.860 1.795 2.032 . 0 0 "[ . 1 . ]" 3
5 1 22 CYS O 1 27 TYR N 3.000 2.500 3.500 2.767 2.656 2.949 . 0 0 "[ . 1 . ]" 3
6 1 22 CYS O 1 27 TYR H 2.000 . 2.350 1.873 1.809 2.039 . 0 0 "[ . 1 . ]" 3
7 1 31 HIS O 1 41 TRP N 3.000 2.500 3.500 2.911 2.841 2.980 . 0 0 "[ . 1 . ]" 3
8 1 31 HIS O 1 41 TRP H 2.000 . 2.350 1.948 1.867 2.033 . 0 0 "[ . 1 . ]" 3
9 1 33 GLY N 1 39 ASN O 3.000 2.500 3.500 2.878 2.690 3.040 . 0 0 "[ . 1 . ]" 3
10 1 33 GLY H 1 39 ASN O 2.000 . 2.350 1.964 1.795 2.063 . 0 0 "[ . 1 . ]" 3
11 1 5 GLY O 1 40 CYS N 3.000 2.500 3.500 2.925 2.757 2.998 . 0 0 "[ . 1 . ]" 3
12 1 5 GLY O 1 40 CYS H 2.000 . 2.350 1.966 1.836 2.034 . 0 0 "[ . 1 . ]" 3
13 1 18 CYS O 1 22 CYS N 3.000 2.500 3.500 2.773 2.710 2.913 . 0 0 "[ . 1 . ]" 3
14 1 18 CYS O 1 22 CYS H 2.000 . 2.350 1.864 1.799 2.034 . 0 0 "[ . 1 . ]" 3
15 1 31 HIS N 1 41 TRP O 3.000 2.500 3.500 2.864 2.792 2.972 . 0 0 "[ . 1 . ]" 3
16 1 31 HIS H 1 41 TRP O 2.000 . 2.350 1.897 1.819 2.000 . 0 0 "[ . 1 . ]" 3
17 1 20 GLY O 1 24 LEU N 3.000 2.500 3.500 2.696 2.651 2.760 . 0 0 "[ . 1 . ]" 3
18 1 20 GLY O 1 24 LEU H 2.000 . 2.350 1.815 1.754 1.894 . 0 0 "[ . 1 . ]" 3
19 1 2 LYS O 1 42 CYS N 3.000 2.500 3.500 2.729 2.666 2.819 . 0 0 "[ . 1 . ]" 3
20 1 2 LYS O 1 42 CYS H 2.000 . 2.350 1.899 1.761 2.010 . 0 0 "[ . 1 . ]" 3
21 1 6 SER N 1 13 ASN O 3.000 2.500 3.500 2.922 2.783 2.978 . 0 0 "[ . 1 . ]" 3
22 1 6 SER H 1 13 ASN O 2.000 . 2.350 1.949 1.809 2.018 . 0 0 "[ . 1 . ]" 3
23 1 23 LEU O 1 26 GLY N 3.000 2.500 3.500 2.925 2.890 2.965 . 0 0 "[ . 1 . ]" 3
24 1 23 LEU O 1 26 GLY H 2.000 . 2.350 2.044 2.015 2.068 . 0 0 "[ . 1 . ]" 3
stop_
save_
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