NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
379650 |
1i2u   |
5033 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1i2u
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 325
_Distance_constraint_stats_list.Viol_count 783
_Distance_constraint_stats_list.Viol_total 739.237
_Distance_constraint_stats_list.Viol_max 0.382
_Distance_constraint_stats_list.Viol_rms 0.0247
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0070
_Distance_constraint_stats_list.Viol_average_violations_only 0.0525
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 LYS 1.004 0.146 18 0 "[ . 1 . ]"
1 3 LEU 1.228 0.110 3 0 "[ . 1 . ]"
1 4 ILE 0.270 0.042 7 0 "[ . 1 . ]"
1 5 GLY 1.122 0.089 9 0 "[ . 1 . ]"
1 6 SER 1.659 0.188 7 0 "[ . 1 . ]"
1 7 CYS 0.811 0.113 3 0 "[ . 1 . ]"
1 8 VAL 2.811 0.135 12 0 "[ . 1 . ]"
1 9 TRP 1.576 0.135 12 0 "[ . 1 . ]"
1 10 GLY 0.042 0.042 5 0 "[ . 1 . ]"
1 11 ALA 0.204 0.045 8 0 "[ . 1 . ]"
1 12 VAL 1.208 0.108 2 0 "[ . 1 . ]"
1 13 ASN 1.722 0.103 6 0 "[ . 1 . ]"
1 14 TYR 0.639 0.048 2 0 "[ . 1 . ]"
1 15 THR 2.080 0.177 5 0 "[ . 1 . ]"
1 16 SER 0.800 0.204 6 0 "[ . 1 . ]"
1 17 ASP 1.034 0.060 2 0 "[ . 1 . ]"
1 18 CYS 3.556 0.153 17 0 "[ . 1 . ]"
1 19 ASN 0.178 0.029 14 0 "[ . 1 . ]"
1 20 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 21 GLU 2.717 0.158 15 0 "[ . 1 . ]"
1 22 CYS 5.702 0.382 15 0 "[ . 1 . ]"
1 23 LYS 1.564 0.083 11 0 "[ . 1 . ]"
1 24 ARG 1.085 0.114 18 0 "[ . 1 . ]"
1 25 ARG 2.054 0.125 1 0 "[ . 1 . ]"
1 26 GLY 0.153 0.046 8 0 "[ . 1 . ]"
1 27 TYR 2.336 0.125 1 0 "[ . 1 . ]"
1 28 LYS 0.625 0.064 2 0 "[ . 1 . ]"
1 29 GLY 0.597 0.064 2 0 "[ . 1 . ]"
1 30 GLY 2.260 0.121 5 0 "[ . 1 . ]"
1 31 HIS 3.983 0.212 8 0 "[ . 1 . ]"
1 32 CYS 0.735 0.056 2 0 "[ . 1 . ]"
1 33 GLY 2.519 0.212 8 0 "[ . 1 . ]"
1 34 SER 2.963 0.170 6 0 "[ . 1 . ]"
1 35 PHE 1.881 0.170 6 0 "[ . 1 . ]"
1 36 ALA 0.403 0.050 4 0 "[ . 1 . ]"
1 37 ASN 1.374 0.122 14 0 "[ . 1 . ]"
1 38 VAL 0.829 0.162 3 0 "[ . 1 . ]"
1 39 ASN 2.434 0.162 3 0 "[ . 1 . ]"
1 40 CYS 1.071 0.114 16 0 "[ . 1 . ]"
1 41 TRP 2.881 0.146 18 0 "[ . 1 . ]"
1 42 CYS 1.640 0.123 1 0 "[ . 1 . ]"
1 43 GLU 3.179 0.174 1 0 "[ . 1 . ]"
1 44 THR 0.357 0.067 4 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 2 LYS H 1 2 LYS HB3 3.200 . 3.200 2.906 2.495 3.288 0.088 9 0 "[ . 1 . ]" 1
2 1 2 LYS H 1 2 LYS HB2 3.200 . 3.200 2.703 2.197 3.204 0.004 6 0 "[ . 1 . ]" 1
3 1 2 LYS H 1 41 TRP HE3 4.200 . 4.200 4.205 3.779 4.346 0.146 18 0 "[ . 1 . ]" 1
4 1 2 LYS H 1 42 CYS H 3.200 . 3.200 2.574 2.171 3.137 . 0 0 "[ . 1 . ]" 1
5 1 2 LYS H 1 44 THR MG 5.300 . 5.300 3.656 3.256 4.519 . 0 0 "[ . 1 . ]" 1
6 1 2 LYS HA 1 3 LEU H 2.500 . 2.500 2.264 2.131 2.462 . 0 0 "[ . 1 . ]" 1
7 1 3 LEU H 1 4 ILE H 4.500 . 4.500 4.396 4.262 4.518 0.018 1 0 "[ . 1 . ]" 1
8 1 3 LEU H 1 41 TRP HZ3 3.800 . 3.800 3.820 3.644 3.910 0.110 3 0 "[ . 1 . ]" 1
9 1 3 LEU HA 1 4 ILE H 2.500 . 2.500 2.140 2.067 2.208 . 0 0 "[ . 1 . ]" 1
10 1 3 LEU HA 1 4 ILE MG 6.600 . 6.600 3.665 3.494 3.905 . 0 0 "[ . 1 . ]" 1
11 1 3 LEU HA 1 5 GLY H 3.500 . 3.500 3.532 3.501 3.567 0.067 7 0 "[ . 1 . ]" 1
12 1 3 LEU HA 1 41 TRP HE3 6.000 . 6.000 3.370 3.187 3.568 . 0 0 "[ . 1 . ]" 1
13 1 3 LEU HA 1 41 TRP HZ3 6.000 . 6.000 4.299 3.961 4.626 . 0 0 "[ . 1 . ]" 1
14 1 3 LEU HA 1 42 CYS H 3.800 . 3.800 3.511 3.318 3.742 . 0 0 "[ . 1 . ]" 1
15 1 3 LEU HG 1 4 ILE H 4.900 . 4.900 3.257 2.841 3.615 . 0 0 "[ . 1 . ]" 1
16 1 3 LEU HG 1 5 GLY H 4.200 . 4.200 2.741 2.014 3.135 . 0 0 "[ . 1 . ]" 1
17 1 3 LEU MD2 1 4 ILE H 6.300 . 6.300 4.370 3.207 4.937 . 0 0 "[ . 1 . ]" 1
18 1 3 LEU MD2 1 5 GLY H 5.200 . 5.200 3.817 2.203 4.435 . 0 0 "[ . 1 . ]" 1
19 1 3 LEU MD2 1 39 ASN HB3 8.200 . 8.200 3.871 3.001 5.610 . 0 0 "[ . 1 . ]" 1
20 1 3 LEU MD2 1 39 ASN HB2 8.200 . 8.200 5.007 4.083 6.679 . 0 0 "[ . 1 . ]" 1
21 1 3 LEU MD2 1 39 ASN HD21 8.800 . 8.800 4.280 2.142 6.538 . 0 0 "[ . 1 . ]" 1
22 1 3 LEU MD2 1 39 ASN HD22 8.800 . 8.800 4.125 2.222 6.349 . 0 0 "[ . 1 . ]" 1
23 1 3 LEU MD2 1 40 CYS H 7.000 . 7.000 4.543 3.798 5.424 . 0 0 "[ . 1 . ]" 1
24 1 3 LEU MD2 1 41 TRP HZ3 7.000 . 7.000 4.140 3.432 5.082 . 0 0 "[ . 1 . ]" 1
25 1 3 LEU MD2 1 41 TRP HZ2 6.900 . 6.900 4.720 3.859 5.819 . 0 0 "[ . 1 . ]" 1
26 1 3 LEU MD2 1 41 TRP HH2 6.300 . 6.300 3.873 2.956 5.293 . 0 0 "[ . 1 . ]" 1
27 1 4 ILE H 1 5 GLY H 2.600 . 2.600 2.147 1.997 2.338 . 0 0 "[ . 1 . ]" 1
28 1 4 ILE H 1 42 CYS H 4.200 . 4.200 4.184 3.971 4.242 0.042 7 0 "[ . 1 . ]" 1
29 1 4 ILE HA 1 5 GLY H 3.500 . 3.500 3.379 3.180 3.464 . 0 0 "[ . 1 . ]" 1
30 1 4 ILE HB 1 15 THR MG 5.100 . 5.100 4.210 4.106 4.281 . 0 0 "[ . 1 . ]" 1
31 1 4 ILE MG 1 5 GLY H 7.000 . 7.000 4.109 3.956 4.253 . 0 0 "[ . 1 . ]" 1
32 1 4 ILE MG 1 25 ARG HD3 5.900 . 5.900 3.108 2.380 3.998 . 0 0 "[ . 1 . ]" 1
33 1 4 ILE MG 1 25 ARG HD2 5.900 . 5.900 2.472 2.051 3.196 . 0 0 "[ . 1 . ]" 1
34 1 4 ILE MG 1 42 CYS H 5.600 . 5.600 3.856 3.583 4.155 . 0 0 "[ . 1 . ]" 1
35 1 4 ILE MG 1 42 CYS HB2 5.800 . 5.800 2.652 2.264 3.137 . 0 0 "[ . 1 . ]" 1
36 1 5 GLY H 1 6 SER H 4.500 . 4.500 4.363 4.318 4.429 . 0 0 "[ . 1 . ]" 1
37 1 5 GLY H 1 40 CYS H 3.800 . 3.800 3.663 3.522 3.746 . 0 0 "[ . 1 . ]" 1
38 1 5 GLY HA3 1 6 SER H 2.900 . 2.900 2.545 2.471 2.651 . 0 0 "[ . 1 . ]" 1
39 1 5 GLY HA3 1 13 ASN HB3 5.800 . 5.800 4.440 3.608 5.876 0.076 11 0 "[ . 1 . ]" 1
40 1 5 GLY HA3 1 13 ASN HB2 5.800 . 5.800 5.243 3.867 5.865 0.065 1 0 "[ . 1 . ]" 1
41 1 5 GLY HA3 1 13 ASN HD21 7.000 . 7.000 6.027 2.877 7.022 0.022 15 0 "[ . 1 . ]" 1
42 1 5 GLY HA3 1 13 ASN HD22 7.000 . 7.000 6.448 3.807 7.089 0.089 9 0 "[ . 1 . ]" 1
43 1 5 GLY HA2 1 6 SER H 2.900 . 2.900 2.568 2.486 2.681 . 0 0 "[ . 1 . ]" 1
44 1 5 GLY HA2 1 13 ASN HB3 5.800 . 5.800 3.465 2.644 4.871 . 0 0 "[ . 1 . ]" 1
45 1 5 GLY HA2 1 13 ASN HB2 5.800 . 5.800 4.266 2.546 5.019 . 0 0 "[ . 1 . ]" 1
46 1 5 GLY HA2 1 13 ASN HD21 7.000 . 7.000 4.838 2.679 5.651 . 0 0 "[ . 1 . ]" 1
47 1 5 GLY HA2 1 13 ASN HD22 7.000 . 7.000 5.199 3.134 5.941 . 0 0 "[ . 1 . ]" 1
48 1 6 SER H 1 6 SER HB3 3.200 . 3.200 2.815 2.434 3.388 0.188 7 0 "[ . 1 . ]" 1
49 1 6 SER H 1 6 SER HB2 3.200 . 3.200 2.693 2.097 3.067 . 0 0 "[ . 1 . ]" 1
50 1 6 SER H 1 7 CYS H 4.700 . 4.700 4.474 4.367 4.588 . 0 0 "[ . 1 . ]" 1
51 1 6 SER H 1 11 ALA MB 6.500 . 6.500 5.001 4.829 5.108 . 0 0 "[ . 1 . ]" 1
52 1 6 SER H 1 13 ASN HB3 5.700 . 5.700 3.060 2.227 4.657 . 0 0 "[ . 1 . ]" 1
53 1 6 SER H 1 13 ASN HB2 5.700 . 5.700 3.670 2.814 4.505 . 0 0 "[ . 1 . ]" 1
54 1 6 SER H 1 14 TYR HA 3.300 . 3.300 2.914 2.583 3.087 . 0 0 "[ . 1 . ]" 1
55 1 6 SER H 1 15 THR H 4.000 . 4.000 3.969 3.880 4.032 0.032 18 0 "[ . 1 . ]" 1
56 1 6 SER H 1 15 THR MG 6.300 . 6.300 3.613 2.952 4.126 . 0 0 "[ . 1 . ]" 1
57 1 6 SER HA 1 39 ASN HA 3.500 . 3.500 2.024 1.884 2.234 . 0 0 "[ . 1 . ]" 1
58 1 6 SER HA 1 40 CYS H 3.100 . 3.100 2.682 2.276 2.980 . 0 0 "[ . 1 . ]" 1
59 1 6 SER HB3 1 7 CYS H 4.500 . 4.500 2.918 2.250 3.554 . 0 0 "[ . 1 . ]" 1
60 1 6 SER HB3 1 8 VAL H 4.200 . 4.200 2.885 2.513 3.413 . 0 0 "[ . 1 . ]" 1
61 1 6 SER HB3 1 11 ALA MB 4.700 . 4.700 3.166 3.022 3.464 . 0 0 "[ . 1 . ]" 1
62 1 6 SER HB2 1 7 CYS H 4.500 . 4.500 3.688 3.503 3.919 . 0 0 "[ . 1 . ]" 1
63 1 6 SER HB2 1 8 VAL H 4.200 . 4.200 4.237 4.045 4.325 0.125 2 0 "[ . 1 . ]" 1
64 1 6 SER HB2 1 11 ALA MB 4.700 . 4.700 3.677 3.210 3.979 . 0 0 "[ . 1 . ]" 1
65 1 7 CYS H 1 7 CYS HB3 3.600 . 3.600 3.046 2.763 3.713 0.113 3 0 "[ . 1 . ]" 1
66 1 7 CYS H 1 7 CYS HB2 3.600 . 3.600 2.998 2.477 3.343 . 0 0 "[ . 1 . ]" 1
67 1 7 CYS H 1 8 VAL H 6.000 . 6.000 2.264 1.915 2.567 . 0 0 "[ . 1 . ]" 1
68 1 7 CYS H 1 8 VAL HB 4.200 . 4.200 4.153 3.840 4.258 0.058 9 0 "[ . 1 . ]" 1
69 1 7 CYS H 1 8 VAL MG2 5.100 . 5.100 2.556 2.425 2.778 . 0 0 "[ . 1 . ]" 1
70 1 7 CYS HA 1 8 VAL H 3.300 . 3.300 2.958 2.788 3.120 . 0 0 "[ . 1 . ]" 1
71 1 7 CYS HA 1 15 THR H 3.800 . 3.800 3.599 3.222 3.823 0.023 2 0 "[ . 1 . ]" 1
72 1 7 CYS CB 1 32 CYS SG 3.100 . 3.100 3.067 2.937 3.105 0.005 2 0 "[ . 1 . ]" 1
73 1 7 CYS HB3 1 8 VAL H 4.500 . 4.500 4.079 3.900 4.440 . 0 0 "[ . 1 . ]" 1
74 1 7 CYS HB2 1 8 VAL H 4.500 . 4.500 4.361 3.896 4.515 0.015 6 0 "[ . 1 . ]" 1
75 1 7 CYS SG 1 32 CYS CB 3.100 . 3.100 3.001 2.952 3.068 . 0 0 "[ . 1 . ]" 1
76 1 7 CYS SG 1 32 CYS SG 2.100 . 2.100 2.020 2.016 2.022 . 0 0 "[ . 1 . ]" 1
77 1 8 VAL H 1 8 VAL HB 2.800 . 2.800 2.596 2.320 2.802 0.002 10 0 "[ . 1 . ]" 1
78 1 8 VAL H 1 8 VAL MG2 4.100 . 4.100 2.387 2.031 2.567 . 0 0 "[ . 1 . ]" 1
79 1 8 VAL H 1 9 TRP H 3.800 . 3.800 3.655 2.376 3.935 0.135 12 0 "[ . 1 . ]" 1
80 1 8 VAL H 1 11 ALA MB 5.400 . 5.400 3.845 3.537 4.217 . 0 0 "[ . 1 . ]" 1
81 1 8 VAL HB 1 9 TRP H 4.400 . 4.400 3.898 1.913 4.423 0.023 18 0 "[ . 1 . ]" 1
82 1 8 VAL HB 1 11 ALA MB 4.300 . 4.300 2.829 2.315 3.359 . 0 0 "[ . 1 . ]" 1
83 1 8 VAL MG2 1 9 TRP H 6.100 . 6.100 4.142 3.511 4.361 . 0 0 "[ . 1 . ]" 1
84 1 8 VAL MG2 1 38 VAL HA 4.000 . 4.000 2.010 1.880 2.330 . 0 0 "[ . 1 . ]" 1
85 1 8 VAL MG2 1 38 VAL HB 4.100 . 4.100 3.303 2.783 3.535 . 0 0 "[ . 1 . ]" 1
86 1 9 TRP H 1 9 TRP HD1 5.300 . 5.300 4.597 3.130 5.320 0.020 16 0 "[ . 1 . ]" 1
87 1 9 TRP H 1 10 GLY H 4.500 . 4.500 4.029 3.005 4.542 0.042 5 0 "[ . 1 . ]" 1
88 1 9 TRP HA 1 9 TRP HD1 4.400 . 4.400 3.967 3.109 4.436 0.036 15 0 "[ . 1 . ]" 1
89 1 9 TRP HA 1 9 TRP HE3 4.000 . 4.000 2.967 2.105 4.016 0.016 5 0 "[ . 1 . ]" 1
90 1 9 TRP HA 1 9 TRP HZ3 6.000 . 6.000 5.009 4.194 6.024 0.024 13 0 "[ . 1 . ]" 1
91 1 9 TRP HA 1 10 GLY H 2.500 . 2.500 2.251 2.154 2.424 . 0 0 "[ . 1 . ]" 1
92 1 10 GLY H 1 11 ALA H 3.000 . 3.000 2.162 1.961 2.683 . 0 0 "[ . 1 . ]" 1
93 1 10 GLY H 1 11 ALA MB 6.800 . 6.800 3.845 3.642 4.136 . 0 0 "[ . 1 . ]" 1
94 1 11 ALA H 1 12 VAL H 5.400 . 5.400 4.674 4.652 4.718 . 0 0 "[ . 1 . ]" 1
95 1 11 ALA H 1 14 TYR H 4.800 . 4.800 4.794 4.654 4.845 0.045 8 0 "[ . 1 . ]" 1
96 1 11 ALA HA 1 12 VAL H 2.800 . 2.800 2.395 2.281 2.458 . 0 0 "[ . 1 . ]" 1
97 1 11 ALA MB 1 12 VAL H 4.400 . 4.400 2.571 2.427 2.833 . 0 0 "[ . 1 . ]" 1
98 1 11 ALA MB 1 12 VAL HA 6.500 . 6.500 4.291 4.250 4.334 . 0 0 "[ . 1 . ]" 1
99 1 11 ALA MB 1 13 ASN H 5.700 . 5.700 2.916 2.783 3.419 . 0 0 "[ . 1 . ]" 1
100 1 11 ALA MB 1 14 TYR H 5.400 . 5.400 3.710 3.029 3.918 . 0 0 "[ . 1 . ]" 1
101 1 11 ALA MB 1 14 TYR HA 5.700 . 5.700 4.472 4.307 4.540 . 0 0 "[ . 1 . ]" 1
102 1 12 VAL H 1 12 VAL MG2 4.400 . 4.400 2.677 1.851 3.770 . 0 0 "[ . 1 . ]" 1
103 1 12 VAL HA 1 12 VAL HB 2.900 . 2.900 2.749 2.476 3.008 0.108 2 0 "[ . 1 . ]" 1
104 1 12 VAL HA 1 13 ASN H 2.800 . 2.800 2.688 2.362 2.752 . 0 0 "[ . 1 . ]" 1
105 1 12 VAL HA 1 14 TYR H 4.000 . 4.000 3.934 3.831 4.048 0.048 2 0 "[ . 1 . ]" 1
106 1 12 VAL HB 1 13 ASN H 4.500 . 4.500 4.381 4.193 4.542 0.042 5 0 "[ . 1 . ]" 1
107 1 13 ASN H 1 14 TYR H 3.500 . 3.500 1.936 1.783 1.988 0.017 2 0 "[ . 1 . ]" 1
108 1 13 ASN HA 1 13 ASN HB3 2.900 . 2.900 2.689 2.420 2.965 0.065 14 0 "[ . 1 . ]" 1
109 1 13 ASN HA 1 13 ASN HB2 2.900 . 2.900 2.843 2.493 3.003 0.103 6 0 "[ . 1 . ]" 1
110 1 14 TYR H 1 15 THR H 4.700 . 4.700 4.629 4.583 4.691 . 0 0 "[ . 1 . ]" 1
111 1 14 TYR HA 1 14 TYR HB3 3.000 . 3.000 3.020 3.008 3.033 0.033 4 0 "[ . 1 . ]" 1
112 1 14 TYR HA 1 14 TYR HB2 3.000 . 3.000 2.489 2.411 2.566 . 0 0 "[ . 1 . ]" 1
113 1 14 TYR HA 1 15 THR H 2.500 . 2.500 2.236 2.150 2.332 . 0 0 "[ . 1 . ]" 1
114 1 14 TYR HB3 1 15 THR H 4.300 . 4.300 3.974 3.798 4.106 . 0 0 "[ . 1 . ]" 1
115 1 14 TYR HB2 1 15 THR H 4.300 . 4.300 4.111 4.012 4.207 . 0 0 "[ . 1 . ]" 1
116 1 15 THR H 1 15 THR HB 3.400 . 3.400 3.504 3.438 3.577 0.177 5 0 "[ . 1 . ]" 1
117 1 15 THR H 1 15 THR MG 4.200 . 4.200 2.948 2.588 3.525 . 0 0 "[ . 1 . ]" 1
118 1 15 THR HA 1 15 THR MG 3.700 . 3.700 2.257 2.172 2.366 . 0 0 "[ . 1 . ]" 1
119 1 15 THR HB 1 16 SER H 4.200 . 4.200 3.910 3.704 4.083 . 0 0 "[ . 1 . ]" 1
120 1 15 THR HB 1 17 ASP H 4.500 . 4.500 3.526 3.062 4.041 . 0 0 "[ . 1 . ]" 1
121 1 15 THR MG 1 16 SER H 5.800 . 5.800 4.009 3.550 4.199 . 0 0 "[ . 1 . ]" 1
122 1 15 THR MG 1 17 ASP H 5.300 . 5.300 4.335 3.915 4.479 . 0 0 "[ . 1 . ]" 1
123 1 15 THR MG 1 18 CYS H 5.900 . 5.900 4.854 4.528 5.018 . 0 0 "[ . 1 . ]" 1
124 1 15 THR MG 1 21 GLU H 6.800 . 6.800 4.788 4.321 5.283 . 0 0 "[ . 1 . ]" 1
125 1 15 THR MG 1 21 GLU HB3 5.300 . 5.300 3.220 2.775 3.751 . 0 0 "[ . 1 . ]" 1
126 1 15 THR MG 1 21 GLU HB2 5.300 . 5.300 3.307 2.723 3.996 . 0 0 "[ . 1 . ]" 1
127 1 16 SER H 1 16 SER HB3 3.200 . 3.200 2.862 2.527 3.404 0.204 6 0 "[ . 1 . ]" 1
128 1 16 SER H 1 16 SER HB2 3.200 . 3.200 2.430 2.156 2.692 . 0 0 "[ . 1 . ]" 1
129 1 16 SER H 1 17 ASP H 3.000 . 3.000 2.731 2.628 2.822 . 0 0 "[ . 1 . ]" 1
130 1 16 SER HB3 1 17 ASP H 3.800 . 3.800 2.747 2.348 3.579 . 0 0 "[ . 1 . ]" 1
131 1 16 SER HB2 1 17 ASP H 3.800 . 3.800 3.591 2.609 3.835 0.035 9 0 "[ . 1 . ]" 1
132 1 17 ASP H 1 17 ASP HB3 3.100 . 3.100 2.835 2.530 3.049 . 0 0 "[ . 1 . ]" 1
133 1 17 ASP H 1 17 ASP HB2 3.300 . 3.300 2.975 2.636 3.212 . 0 0 "[ . 1 . ]" 1
134 1 17 ASP H 1 18 CYS H 3.800 . 3.800 3.604 3.314 3.756 . 0 0 "[ . 1 . ]" 1
135 1 17 ASP HA 1 17 ASP HB2 2.700 . 2.700 2.591 2.500 2.678 . 0 0 "[ . 1 . ]" 1
136 1 17 ASP HA 1 18 CYS H 2.600 . 2.600 2.255 2.155 2.395 . 0 0 "[ . 1 . ]" 1
137 1 17 ASP HA 1 19 ASN H 4.200 . 4.200 4.061 3.668 4.197 . 0 0 "[ . 1 . ]" 1
138 1 17 ASP HA 1 20 GLY H 4.600 . 4.600 3.848 3.655 4.091 . 0 0 "[ . 1 . ]" 1
139 1 17 ASP HB3 1 18 CYS H 4.300 . 4.300 4.347 4.325 4.360 0.060 2 0 "[ . 1 . ]" 1
140 1 17 ASP HB2 1 18 CYS H 6.000 . 6.000 4.580 4.495 4.658 . 0 0 "[ . 1 . ]" 1
141 1 18 CYS H 1 18 CYS HB3 2.800 . 2.800 2.778 2.586 2.866 0.066 14 0 "[ . 1 . ]" 1
142 1 18 CYS H 1 19 ASN H 6.000 . 6.000 3.120 2.957 3.233 . 0 0 "[ . 1 . ]" 1
143 1 18 CYS H 1 20 GLY H 6.000 . 6.000 4.142 3.938 4.427 . 0 0 "[ . 1 . ]" 1
144 1 18 CYS HA 1 18 CYS HB3 2.800 . 2.800 2.929 2.917 2.953 0.153 17 0 "[ . 1 . ]" 1
145 1 18 CYS CB 1 40 CYS SG 3.100 . 3.100 2.962 2.887 3.126 0.026 11 0 "[ . 1 . ]" 1
146 1 18 CYS HB3 1 19 ASN H 6.000 . 6.000 2.130 2.017 2.368 . 0 0 "[ . 1 . ]" 1
147 1 18 CYS HB2 1 19 ASN H 6.000 . 6.000 3.470 3.344 3.677 . 0 0 "[ . 1 . ]" 1
148 1 18 CYS HB2 1 31 HIS HA 5.700 . 5.700 3.285 2.567 4.151 . 0 0 "[ . 1 . ]" 1
149 1 18 CYS HB2 1 32 CYS H 5.500 . 5.500 4.313 3.958 4.757 . 0 0 "[ . 1 . ]" 1
150 1 18 CYS SG 1 40 CYS CB 3.100 . 3.100 3.061 2.979 3.121 0.021 15 0 "[ . 1 . ]" 1
151 1 18 CYS SG 1 40 CYS SG 2.100 . 2.100 2.018 2.015 2.022 . 0 0 "[ . 1 . ]" 1
152 1 19 ASN H 1 20 GLY H 3.200 . 3.200 2.644 2.530 2.775 . 0 0 "[ . 1 . ]" 1
153 1 19 ASN H 1 21 GLU H 6.000 . 6.000 4.431 4.113 4.648 . 0 0 "[ . 1 . ]" 1
154 1 19 ASN H 1 30 GLY H 4.500 . 4.500 4.269 3.973 4.519 0.019 17 0 "[ . 1 . ]" 1
155 1 19 ASN HA 1 22 CYS H 3.800 . 3.800 3.311 3.194 3.452 . 0 0 "[ . 1 . ]" 1
156 1 19 ASN HA 1 22 CYS HB2 4.000 . 4.000 2.470 1.934 2.833 . 0 0 "[ . 1 . ]" 1
157 1 19 ASN HA 1 23 LYS H 6.000 . 6.000 3.583 3.400 3.769 . 0 0 "[ . 1 . ]" 1
158 1 19 ASN HA 1 30 GLY H 2.700 . 2.700 2.493 2.175 2.717 0.017 2 0 "[ . 1 . ]" 1
159 1 19 ASN HB3 1 19 ASN HD22 4.000 . 4.000 3.973 3.915 4.029 0.029 14 0 "[ . 1 . ]" 1
160 1 19 ASN HB3 1 30 GLY H 4.400 . 4.400 4.163 3.980 4.361 . 0 0 "[ . 1 . ]" 1
161 1 19 ASN HB2 1 19 ASN HD22 4.000 . 4.000 3.996 3.939 4.027 0.027 2 0 "[ . 1 . ]" 1
162 1 19 ASN HB2 1 30 GLY H 4.400 . 4.400 2.726 2.532 2.957 . 0 0 "[ . 1 . ]" 1
163 1 19 ASN HD21 1 20 GLY H 6.000 . 6.000 4.264 4.099 4.380 . 0 0 "[ . 1 . ]" 1
164 1 19 ASN HD22 1 20 GLY H 6.000 . 6.000 5.536 5.239 5.803 . 0 0 "[ . 1 . ]" 1
165 1 20 GLY H 1 21 GLU H 6.000 . 6.000 2.774 2.645 2.861 . 0 0 "[ . 1 . ]" 1
166 1 21 GLU H 1 21 GLU HA 2.900 . 2.900 2.872 2.852 2.896 . 0 0 "[ . 1 . ]" 1
167 1 21 GLU H 1 21 GLU HB3 2.800 . 2.800 2.609 2.455 2.875 0.075 9 0 "[ . 1 . ]" 1
168 1 21 GLU H 1 21 GLU HB2 2.800 . 2.800 2.388 2.124 2.553 . 0 0 "[ . 1 . ]" 1
169 1 21 GLU H 1 21 GLU HG3 5.200 . 5.200 4.550 4.440 4.633 . 0 0 "[ . 1 . ]" 1
170 1 21 GLU H 1 21 GLU HG2 5.200 . 5.200 4.651 4.557 4.761 . 0 0 "[ . 1 . ]" 1
171 1 21 GLU H 1 22 CYS H 2.900 . 2.900 2.710 2.645 2.839 . 0 0 "[ . 1 . ]" 1
172 1 21 GLU HA 1 22 CYS H 3.500 . 3.500 3.531 3.506 3.584 0.084 4 0 "[ . 1 . ]" 1
173 1 21 GLU HA 1 24 ARG H 3.400 . 3.400 3.318 3.219 3.431 0.031 18 0 "[ . 1 . ]" 1
174 1 21 GLU HA 1 24 ARG HB3 6.000 . 6.000 2.899 2.476 3.210 . 0 0 "[ . 1 . ]" 1
175 1 21 GLU HA 1 24 ARG HB2 6.000 . 6.000 2.372 2.148 2.638 . 0 0 "[ . 1 . ]" 1
176 1 21 GLU HA 1 24 ARG HE 4.500 . 4.500 3.434 2.138 4.614 0.114 18 0 "[ . 1 . ]" 1
177 1 21 GLU HA 1 25 ARG H 4.600 . 4.600 4.472 4.266 4.616 0.016 1 0 "[ . 1 . ]" 1
178 1 21 GLU HB3 1 22 CYS H 3.500 . 3.500 2.313 2.177 2.426 . 0 0 "[ . 1 . ]" 1
179 1 21 GLU HB2 1 22 CYS H 3.500 . 3.500 3.591 3.342 3.658 0.158 15 0 "[ . 1 . ]" 1
180 1 21 GLU HG3 1 22 CYS H 6.000 . 6.000 3.761 3.194 4.397 . 0 0 "[ . 1 . ]" 1
181 1 21 GLU HG3 1 25 ARG HE 6.000 . 6.000 2.266 1.758 2.861 0.042 2 0 "[ . 1 . ]" 1
182 1 21 GLU HG2 1 22 CYS H 6.000 . 6.000 4.600 4.183 4.838 . 0 0 "[ . 1 . ]" 1
183 1 21 GLU HG2 1 25 ARG HE 6.000 . 6.000 3.279 2.287 3.815 . 0 0 "[ . 1 . ]" 1
184 1 22 CYS H 1 22 CYS HB3 2.800 . 2.800 2.904 2.821 3.182 0.382 15 0 "[ . 1 . ]" 1
185 1 22 CYS H 1 22 CYS HB2 3.300 . 3.300 2.093 1.853 2.198 . 0 0 "[ . 1 . ]" 1
186 1 22 CYS H 1 23 LYS H 2.900 . 2.900 2.919 2.856 2.971 0.071 12 0 "[ . 1 . ]" 1
187 1 22 CYS H 1 24 ARG H 4.200 . 4.200 4.147 4.031 4.261 0.061 10 0 "[ . 1 . ]" 1
188 1 22 CYS HA 1 22 CYS HB2 3.000 . 3.000 2.638 2.551 2.865 . 0 0 "[ . 1 . ]" 1
189 1 22 CYS HA 1 24 ARG H 6.000 . 6.000 4.485 4.367 4.653 . 0 0 "[ . 1 . ]" 1
190 1 22 CYS CB 1 42 CYS SG 3.100 . 3.100 3.018 2.930 3.184 0.084 16 0 "[ . 1 . ]" 1
191 1 22 CYS HB3 1 23 LYS H 6.000 . 6.000 2.383 2.238 2.692 . 0 0 "[ . 1 . ]" 1
192 1 22 CYS HB2 1 23 LYS H 3.400 . 3.400 3.350 2.672 3.483 0.083 11 0 "[ . 1 . ]" 1
193 1 22 CYS HB2 1 30 GLY H 6.000 . 6.000 3.862 3.411 4.253 . 0 0 "[ . 1 . ]" 1
194 1 22 CYS HB2 1 42 CYS HA 6.000 . 6.000 4.677 4.325 5.640 . 0 0 "[ . 1 . ]" 1
195 1 22 CYS SG 1 42 CYS CB 3.100 . 3.100 2.973 2.895 3.022 . 0 0 "[ . 1 . ]" 1
196 1 22 CYS SG 1 42 CYS SG 2.100 . 2.100 2.020 2.014 2.023 . 0 0 "[ . 1 . ]" 1
197 1 23 LYS H 1 24 ARG H 3.000 . 3.000 2.674 2.602 2.750 . 0 0 "[ . 1 . ]" 1
198 1 23 LYS H 1 25 ARG H 3.900 . 3.900 3.826 3.740 3.920 0.020 6 0 "[ . 1 . ]" 1
199 1 23 LYS H 1 26 GLY H 6.000 . 6.000 5.287 5.225 5.364 . 0 0 "[ . 1 . ]" 1
200 1 23 LYS HA 1 25 ARG H 4.000 . 4.000 3.781 3.709 3.833 . 0 0 "[ . 1 . ]" 1
201 1 23 LYS HA 1 26 GLY H 3.600 . 3.600 3.590 3.487 3.646 0.046 8 0 "[ . 1 . ]" 1
202 1 23 LYS HA 1 27 TYR H 3.200 . 3.200 3.182 3.113 3.247 0.047 8 0 "[ . 1 . ]" 1
203 1 24 ARG H 1 24 ARG HB3 3.000 . 3.000 2.996 2.754 3.076 0.076 2 0 "[ . 1 . ]" 1
204 1 24 ARG H 1 24 ARG HB2 3.000 . 3.000 2.034 1.938 2.205 . 0 0 "[ . 1 . ]" 1
205 1 24 ARG H 1 24 ARG HG3 4.400 . 4.400 3.912 3.644 4.228 . 0 0 "[ . 1 . ]" 1
206 1 24 ARG H 1 24 ARG HG2 4.400 . 4.400 4.201 3.787 4.442 0.042 3 0 "[ . 1 . ]" 1
207 1 24 ARG H 1 25 ARG H 3.000 . 3.000 2.664 2.620 2.709 . 0 0 "[ . 1 . ]" 1
208 1 24 ARG H 1 26 GLY H 4.300 . 4.300 4.190 4.161 4.212 . 0 0 "[ . 1 . ]" 1
209 1 24 ARG HA 1 24 ARG HB3 3.000 . 3.000 2.993 2.948 3.023 0.023 8 0 "[ . 1 . ]" 1
210 1 24 ARG HA 1 24 ARG HB2 3.000 . 3.000 2.797 2.689 2.849 . 0 0 "[ . 1 . ]" 1
211 1 24 ARG HA 1 24 ARG HG3 3.700 . 3.700 2.888 2.126 3.648 . 0 0 "[ . 1 . ]" 1
212 1 24 ARG HA 1 24 ARG HG2 3.700 . 3.700 2.379 2.069 2.782 . 0 0 "[ . 1 . ]" 1
213 1 24 ARG HA 1 26 GLY H 4.000 . 4.000 3.565 3.498 3.683 . 0 0 "[ . 1 . ]" 1
214 1 24 ARG HB3 1 24 ARG HE 4.600 . 4.600 2.801 1.892 4.650 0.050 18 0 "[ . 1 . ]" 1
215 1 24 ARG HB2 1 24 ARG HE 4.600 . 4.600 3.147 1.833 4.327 . 0 0 "[ . 1 . ]" 1
216 1 25 ARG H 1 26 GLY H 2.900 . 2.900 2.607 2.547 2.648 . 0 0 "[ . 1 . ]" 1
217 1 25 ARG H 1 27 TYR H 3.800 . 3.800 3.247 3.157 3.319 . 0 0 "[ . 1 . ]" 1
218 1 25 ARG HA 1 25 ARG HD3 5.300 . 5.300 4.070 3.129 4.553 . 0 0 "[ . 1 . ]" 1
219 1 25 ARG HA 1 25 ARG HD2 5.300 . 5.300 4.898 4.390 5.273 . 0 0 "[ . 1 . ]" 1
220 1 25 ARG HA 1 26 GLY H 3.500 . 3.500 3.145 3.049 3.219 . 0 0 "[ . 1 . ]" 1
221 1 25 ARG HA 1 27 TYR H 4.200 . 4.200 4.305 4.282 4.325 0.125 1 0 "[ . 1 . ]" 1
222 1 26 GLY H 1 27 TYR H 2.800 . 2.800 2.567 2.438 2.677 . 0 0 "[ . 1 . ]" 1
223 1 27 TYR H 1 28 LYS H 4.700 . 4.700 4.568 4.478 4.631 . 0 0 "[ . 1 . ]" 1
224 1 27 TYR HA 1 28 LYS H 2.800 . 2.800 2.487 2.231 2.771 . 0 0 "[ . 1 . ]" 1
225 1 27 TYR HA 1 44 THR H 6.000 . 6.000 5.560 4.457 6.067 0.067 4 0 "[ . 1 . ]" 1
226 1 27 TYR HA 1 44 THR MG 4.200 . 4.200 3.172 2.703 3.423 . 0 0 "[ . 1 . ]" 1
227 1 28 LYS H 1 29 GLY H 2.900 . 2.900 2.633 2.066 2.912 0.012 12 0 "[ . 1 . ]" 1
228 1 28 LYS H 1 42 CYS HB3 6.000 . 6.000 4.923 4.178 6.028 0.028 16 0 "[ . 1 . ]" 1
229 1 28 LYS H 1 44 THR HA 4.300 . 4.300 3.530 2.833 4.361 0.061 2 0 "[ . 1 . ]" 1
230 1 28 LYS HA 1 29 GLY H 3.500 . 3.500 3.524 3.455 3.564 0.064 2 0 "[ . 1 . ]" 1
231 1 29 GLY H 1 30 GLY H 4.400 . 4.400 4.356 4.296 4.411 0.011 2 0 "[ . 1 . ]" 1
232 1 29 GLY H 1 43 GLU H 3.500 . 3.500 2.962 2.467 3.542 0.042 16 0 "[ . 1 . ]" 1
233 1 30 GLY H 1 31 HIS H 4.200 . 4.200 4.273 4.239 4.321 0.121 5 0 "[ . 1 . ]" 1
234 1 30 GLY H 1 43 GLU H 4.700 . 4.700 4.733 4.685 4.802 0.102 18 0 "[ . 1 . ]" 1
235 1 30 GLY HA3 1 31 HIS H 2.900 . 2.900 2.581 2.339 2.878 . 0 0 "[ . 1 . ]" 1
236 1 30 GLY HA3 1 42 CYS HA 3.500 . 3.500 2.221 2.059 2.664 . 0 0 "[ . 1 . ]" 1
237 1 30 GLY HA3 1 43 GLU HG3 6.800 . 6.800 5.679 4.268 6.873 0.073 3 0 "[ . 1 . ]" 1
238 1 30 GLY HA3 1 43 GLU HG2 6.800 . 6.800 6.014 4.014 6.872 0.072 2 0 "[ . 1 . ]" 1
239 1 30 GLY HA2 1 31 HIS H 2.900 . 2.900 2.504 2.245 2.792 . 0 0 "[ . 1 . ]" 1
240 1 30 GLY HA2 1 42 CYS HA 3.500 . 3.500 1.976 1.891 2.029 . 0 0 "[ . 1 . ]" 1
241 1 30 GLY HA2 1 43 GLU HG3 6.800 . 6.800 4.103 2.645 5.368 . 0 0 "[ . 1 . ]" 1
242 1 30 GLY HA2 1 43 GLU HG2 6.800 . 6.800 4.472 2.450 5.390 . 0 0 "[ . 1 . ]" 1
243 1 31 HIS H 1 31 HIS HB3 3.900 . 3.900 3.717 3.510 3.829 . 0 0 "[ . 1 . ]" 1
244 1 31 HIS H 1 31 HIS HB2 4.100 . 4.100 3.985 3.879 4.054 . 0 0 "[ . 1 . ]" 1
245 1 31 HIS H 1 31 HIS HD2 6.000 . 6.000 4.114 3.283 4.801 . 0 0 "[ . 1 . ]" 1
246 1 31 HIS H 1 40 CYS HA 4.800 . 4.800 4.316 3.955 4.567 . 0 0 "[ . 1 . ]" 1
247 1 31 HIS H 1 41 TRP H 3.300 . 3.300 3.210 3.152 3.271 . 0 0 "[ . 1 . ]" 1
248 1 31 HIS H 1 42 CYS HA 3.800 . 3.800 3.418 3.212 3.610 . 0 0 "[ . 1 . ]" 1
249 1 31 HIS HA 1 31 HIS HB2 2.700 . 2.700 2.673 2.602 2.726 0.026 1 0 "[ . 1 . ]" 1
250 1 31 HIS HA 1 32 CYS H 2.500 . 2.500 2.529 2.502 2.546 0.046 4 0 "[ . 1 . ]" 1
251 1 31 HIS HB3 1 32 CYS H 3.500 . 3.500 3.482 3.374 3.556 0.056 2 0 "[ . 1 . ]" 1
252 1 31 HIS HB2 1 31 HIS HD2 3.900 . 3.900 2.923 2.722 3.104 . 0 0 "[ . 1 . ]" 1
253 1 31 HIS HB2 1 32 CYS H 3.100 . 3.100 2.243 2.124 2.393 . 0 0 "[ . 1 . ]" 1
254 1 31 HIS HD2 1 32 CYS H 6.000 . 6.000 4.087 3.870 4.400 . 0 0 "[ . 1 . ]" 1
255 1 31 HIS HD2 1 33 GLY HA3 4.600 . 4.600 4.295 3.659 4.812 0.212 8 0 "[ . 1 . ]" 1
256 1 31 HIS HD2 1 33 GLY HA2 4.600 . 4.600 3.854 3.096 4.758 0.158 11 0 "[ . 1 . ]" 1
257 1 31 HIS HE1 1 43 GLU HG3 4.500 . 4.500 3.327 2.177 4.524 0.024 12 0 "[ . 1 . ]" 1
258 1 31 HIS HE1 1 43 GLU HG2 4.500 . 4.500 3.687 2.337 4.486 . 0 0 "[ . 1 . ]" 1
259 1 32 CYS H 1 32 CYS HB3 2.800 . 2.800 2.588 2.458 2.807 0.007 5 0 "[ . 1 . ]" 1
260 1 32 CYS H 1 32 CYS HB2 3.400 . 3.400 2.589 2.305 2.798 . 0 0 "[ . 1 . ]" 1
261 1 32 CYS HA 1 32 CYS HB2 3.000 . 3.000 2.548 2.481 2.647 . 0 0 "[ . 1 . ]" 1
262 1 32 CYS HA 1 33 GLY H 2.800 . 2.800 2.408 2.327 2.486 . 0 0 "[ . 1 . ]" 1
263 1 32 CYS HA 1 40 CYS HA 3.200 . 3.200 2.042 1.857 2.238 . 0 0 "[ . 1 . ]" 1
264 1 32 CYS HA 1 41 TRP H 3.400 . 3.400 3.206 2.636 3.406 0.006 7 0 "[ . 1 . ]" 1
265 1 32 CYS HA 1 41 TRP HD1 5.000 . 5.000 3.808 2.978 4.452 . 0 0 "[ . 1 . ]" 1
266 1 32 CYS HB2 1 33 GLY H 4.000 . 4.000 3.948 3.911 4.002 0.002 7 0 "[ . 1 . ]" 1
267 1 33 GLY H 1 39 ASN H 3.600 . 3.600 3.311 2.374 3.731 0.131 3 0 "[ . 1 . ]" 1
268 1 33 GLY H 1 40 CYS HA 4.500 . 4.500 3.543 2.890 4.368 . 0 0 "[ . 1 . ]" 1
269 1 33 GLY HA3 1 41 TRP HD1 4.700 . 4.700 3.007 2.409 3.302 . 0 0 "[ . 1 . ]" 1
270 1 33 GLY HA2 1 41 TRP HD1 4.700 . 4.700 3.286 2.014 4.590 . 0 0 "[ . 1 . ]" 1
271 1 34 SER H 1 35 PHE H 3.900 . 3.900 3.441 2.737 4.070 0.170 6 0 "[ . 1 . ]" 1
272 1 34 SER H 1 37 ASN HA 3.400 . 3.400 3.466 3.418 3.522 0.122 14 0 "[ . 1 . ]" 1
273 1 34 SER H 1 41 TRP HD1 5.400 . 5.400 5.179 4.823 5.441 0.041 10 0 "[ . 1 . ]" 1
274 1 34 SER H 1 41 TRP HE1 5.100 . 5.100 4.864 4.475 5.170 0.070 14 0 "[ . 1 . ]" 1
275 1 34 SER HB3 1 35 PHE H 3.100 . 3.100 2.511 1.984 3.116 0.016 17 0 "[ . 1 . ]" 1
276 1 34 SER HB2 1 35 PHE H 3.100 . 3.100 2.413 1.823 2.863 . 0 0 "[ . 1 . ]" 1
277 1 35 PHE H 1 35 PHE HB3 2.900 . 2.900 2.709 2.450 2.900 0.000 4 0 "[ . 1 . ]" 1
278 1 35 PHE H 1 35 PHE HB2 2.900 . 2.900 2.630 2.303 2.833 . 0 0 "[ . 1 . ]" 1
279 1 35 PHE H 1 36 ALA H 4.500 . 4.500 4.495 4.428 4.539 0.039 1 0 "[ . 1 . ]" 1
280 1 35 PHE HA 1 36 ALA H 2.500 . 2.500 2.087 1.980 2.189 . 0 0 "[ . 1 . ]" 1
281 1 35 PHE HA 1 37 ASN H 4.000 . 4.000 3.651 3.512 3.791 . 0 0 "[ . 1 . ]" 1
282 1 35 PHE HB3 1 36 ALA H 4.200 . 4.200 3.905 3.781 4.127 . 0 0 "[ . 1 . ]" 1
283 1 35 PHE HB2 1 36 ALA H 4.200 . 4.200 4.157 3.997 4.250 0.050 4 0 "[ . 1 . ]" 1
284 1 36 ALA H 1 36 ALA HA 2.600 . 2.600 2.374 2.347 2.388 . 0 0 "[ . 1 . ]" 1
285 1 36 ALA H 1 37 ASN H 3.200 . 3.200 3.006 2.893 3.119 . 0 0 "[ . 1 . ]" 1
286 1 37 ASN H 1 37 ASN HA 2.700 . 2.700 2.402 2.352 2.446 . 0 0 "[ . 1 . ]" 1
287 1 37 ASN H 1 37 ASN HB3 4.100 . 4.100 4.036 3.956 4.111 0.011 3 0 "[ . 1 . ]" 1
288 1 37 ASN H 1 37 ASN HB2 4.100 . 4.100 3.671 3.335 3.822 . 0 0 "[ . 1 . ]" 1
289 1 37 ASN H 1 38 VAL H 3.600 . 3.600 3.544 3.297 3.646 0.046 17 0 "[ . 1 . ]" 1
290 1 38 VAL H 1 39 ASN H 3.500 . 3.500 2.127 1.971 2.326 . 0 0 "[ . 1 . ]" 1
291 1 38 VAL HA 1 38 VAL HB 2.700 . 2.700 2.529 2.391 2.601 . 0 0 "[ . 1 . ]" 1
292 1 38 VAL HB 1 39 ASN H 3.800 . 3.800 3.807 3.657 3.962 0.162 3 0 "[ . 1 . ]" 1
293 1 38 VAL MG2 1 39 ASN H 7.000 . 7.000 2.611 2.078 4.122 . 0 0 "[ . 1 . ]" 1
294 1 38 VAL MG2 1 39 ASN HD21 9.700 . 9.700 3.702 2.376 5.982 . 0 0 "[ . 1 . ]" 1
295 1 38 VAL MG2 1 39 ASN HD22 9.700 . 9.700 3.943 2.426 5.907 . 0 0 "[ . 1 . ]" 1
296 1 39 ASN H 1 39 ASN HB3 3.700 . 3.700 3.748 3.614 3.825 0.125 17 0 "[ . 1 . ]" 1
297 1 39 ASN H 1 39 ASN HB2 3.700 . 3.700 2.688 2.587 2.845 . 0 0 "[ . 1 . ]" 1
298 1 39 ASN H 1 41 TRP HD1 6.000 . 6.000 4.971 4.313 5.399 . 0 0 "[ . 1 . ]" 1
299 1 39 ASN HA 1 40 CYS H 2.600 . 2.600 2.326 2.240 2.446 . 0 0 "[ . 1 . ]" 1
300 1 39 ASN HB3 1 41 TRP HE1 4.600 . 4.600 3.188 2.145 4.152 . 0 0 "[ . 1 . ]" 1
301 1 39 ASN HB2 1 41 TRP HE1 4.600 . 4.600 2.422 1.904 2.985 . 0 0 "[ . 1 . ]" 1
302 1 39 ASN HD21 1 41 TRP HE1 6.000 . 6.000 4.188 2.837 5.486 . 0 0 "[ . 1 . ]" 1
303 1 39 ASN HD22 1 41 TRP HE1 6.000 . 6.000 5.556 4.436 6.039 0.039 16 0 "[ . 1 . ]" 1
304 1 40 CYS H 1 41 TRP H 4.200 . 4.200 4.254 4.171 4.314 0.114 16 0 "[ . 1 . ]" 1
305 1 40 CYS HA 1 41 TRP H 2.500 . 2.500 2.121 2.060 2.237 . 0 0 "[ . 1 . ]" 1
306 1 41 TRP H 1 41 TRP HD1 4.400 . 4.400 2.522 2.255 2.739 . 0 0 "[ . 1 . ]" 1
307 1 41 TRP H 1 42 CYS H 5.000 . 5.000 4.576 4.521 4.629 . 0 0 "[ . 1 . ]" 1
308 1 41 TRP HA 1 42 CYS H 2.500 . 2.500 2.256 2.191 2.320 . 0 0 "[ . 1 . ]" 1
309 1 41 TRP HB3 1 42 CYS H 4.000 . 4.000 2.885 2.709 3.067 . 0 0 "[ . 1 . ]" 1
310 1 41 TRP HB2 1 42 CYS H 4.000 . 4.000 3.797 3.580 3.941 . 0 0 "[ . 1 . ]" 1
311 1 41 TRP HE3 1 42 CYS H 4.600 . 4.600 3.618 3.126 3.871 . 0 0 "[ . 1 . ]" 1
312 1 42 CYS H 1 42 CYS HB3 3.500 . 3.500 3.395 2.826 3.559 0.059 6 0 "[ . 1 . ]" 1
313 1 42 CYS H 1 42 CYS HB2 2.900 . 2.900 2.405 2.301 2.880 . 0 0 "[ . 1 . ]" 1
314 1 42 CYS H 1 43 GLU H 4.500 . 4.500 4.471 4.407 4.507 0.007 16 0 "[ . 1 . ]" 1
315 1 42 CYS HA 1 42 CYS HB3 2.900 . 2.900 2.724 2.612 2.976 0.076 15 0 "[ . 1 . ]" 1
316 1 42 CYS HA 1 43 GLU H 2.500 . 2.500 2.403 2.360 2.446 . 0 0 "[ . 1 . ]" 1
317 1 42 CYS HA 1 43 GLU HG3 6.000 . 6.000 4.463 2.998 5.949 . 0 0 "[ . 1 . ]" 1
318 1 42 CYS HA 1 43 GLU HG2 6.000 . 6.000 4.706 3.057 5.747 . 0 0 "[ . 1 . ]" 1
319 1 42 CYS HB3 1 43 GLU H 6.000 . 6.000 2.588 2.374 3.173 . 0 0 "[ . 1 . ]" 1
320 1 42 CYS HB2 1 43 GLU H 3.800 . 3.800 3.821 3.755 3.923 0.123 1 0 "[ . 1 . ]" 1
321 1 43 GLU H 1 43 GLU HB3 3.400 . 3.400 3.477 3.135 3.574 0.174 1 0 "[ . 1 . ]" 1
322 1 43 GLU H 1 43 GLU HB2 3.400 . 3.400 2.352 2.018 2.870 . 0 0 "[ . 1 . ]" 1
323 1 43 GLU H 1 44 THR H 4.700 . 4.700 3.175 2.287 4.501 . 0 0 "[ . 1 . ]" 1
324 1 43 GLU HG3 1 44 THR H 6.000 . 6.000 4.989 4.260 5.797 . 0 0 "[ . 1 . ]" 1
325 1 43 GLU HG2 1 44 THR H 6.000 . 6.000 4.853 3.671 5.948 . 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 180
_Distance_constraint_stats_list.Viol_count 3
_Distance_constraint_stats_list.Viol_total 4.958
_Distance_constraint_stats_list.Viol_max 0.160
_Distance_constraint_stats_list.Viol_rms 0.0032
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0918
_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 0.233 0.160 13 0 "[ . 1 . ]"
1 4 ILE 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 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 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 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 24 ARG 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 0.043 0.043 9 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 0.000 0.000 . 0 "[ . 1 . ]"
1 38 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 39 ASN 0.233 0.160 13 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 . ]"
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 3.900 . 3.900 2.728 2.047 3.679 . 0 0 "[ . 1 . ]" 2
2 1 1 ASP QB 1 2 LYS HA 6.900 . 6.900 4.229 4.027 4.527 . 0 0 "[ . 1 . ]" 2
3 1 1 ASP QB 1 41 TRP HE3 6.900 . 6.900 3.083 2.216 5.085 . 0 0 "[ . 1 . ]" 2
4 1 1 ASP QB 1 41 TRP HZ3 6.900 . 6.900 4.569 3.880 6.132 . 0 0 "[ . 1 . ]" 2
5 1 1 ASP QB 1 42 CYS H 6.800 . 6.800 3.437 2.624 5.759 . 0 0 "[ . 1 . ]" 2
6 1 1 ASP QB 1 43 GLU HA 6.300 . 6.300 3.808 2.429 5.155 . 0 0 "[ . 1 . ]" 2
7 1 2 LYS QB 1 3 LEU H 5.300 . 5.300 3.548 2.898 3.868 . 0 0 "[ . 1 . ]" 2
8 1 2 LYS QB 1 27 TYR QE 9.000 . 9.000 3.395 2.424 4.836 . 0 0 "[ . 1 . ]" 2
9 1 2 LYS QB 1 42 CYS H 6.100 . 6.100 3.530 3.159 3.979 . 0 0 "[ . 1 . ]" 2
10 1 2 LYS QG 1 3 LEU H 6.900 . 6.900 2.825 1.997 3.926 . 0 0 "[ . 1 . ]" 2
11 1 2 LYS QG 1 27 TYR QE 9.000 . 9.000 3.360 2.136 4.819 . 0 0 "[ . 1 . ]" 2
12 1 2 LYS QD 1 3 LEU H 6.900 . 6.900 3.705 1.853 5.323 . 0 0 "[ . 1 . ]" 2
13 1 2 LYS QD 1 27 TYR QE 9.000 . 9.000 3.901 2.489 5.506 . 0 0 "[ . 1 . ]" 2
14 1 3 LEU H 1 3 LEU QB 3.500 . 3.500 2.300 2.217 2.420 . 0 0 "[ . 1 . ]" 2
15 1 3 LEU QB 1 4 ILE H 5.000 . 5.000 3.881 3.748 3.978 . 0 0 "[ . 1 . ]" 2
16 1 3 LEU QB 1 41 TRP HE3 6.900 . 6.900 3.162 2.833 3.406 . 0 0 "[ . 1 . ]" 2
17 1 3 LEU QB 1 41 TRP HZ3 5.100 . 5.100 2.441 2.144 2.739 . 0 0 "[ . 1 . ]" 2
18 1 3 LEU QB 1 41 TRP HZ2 6.400 . 6.400 4.856 4.506 5.272 . 0 0 "[ . 1 . ]" 2
19 1 3 LEU QB 1 41 TRP HH2 5.000 . 5.000 3.589 3.263 3.881 . 0 0 "[ . 1 . ]" 2
20 1 3 LEU QD 1 4 ILE H 5.500 . 5.500 3.039 2.527 3.492 . 0 0 "[ . 1 . ]" 2
21 1 3 LEU QD 1 5 GLY H 4.800 . 4.800 2.773 2.193 3.273 . 0 0 "[ . 1 . ]" 2
22 1 3 LEU QD 1 39 ASN HA 7.600 . 7.600 3.368 2.436 4.791 . 0 0 "[ . 1 . ]" 2
23 1 3 LEU QD 1 39 ASN QB 6.200 . 6.200 2.174 1.803 3.667 . 0 0 "[ . 1 . ]" 2
24 1 3 LEU QD 1 39 ASN QD 7.000 . 7.000 2.967 1.640 4.005 0.160 13 0 "[ . 1 . ]" 2
25 1 3 LEU QD 1 40 CYS H 6.100 . 6.100 2.824 2.138 4.540 . 0 0 "[ . 1 . ]" 2
26 1 3 LEU QD 1 41 TRP HA 7.800 . 7.800 3.335 2.499 4.721 . 0 0 "[ . 1 . ]" 2
27 1 3 LEU QD 1 41 TRP HD1 8.600 . 8.600 4.820 4.112 5.888 . 0 0 "[ . 1 . ]" 2
28 1 3 LEU QD 1 41 TRP HE3 8.600 . 8.600 3.581 3.038 4.186 . 0 0 "[ . 1 . ]" 2
29 1 3 LEU QD 1 41 TRP HE1 8.600 . 8.600 4.172 3.647 4.876 . 0 0 "[ . 1 . ]" 2
30 1 3 LEU QD 1 41 TRP HZ3 6.700 . 6.700 3.243 2.867 3.719 . 0 0 "[ . 1 . ]" 2
31 1 3 LEU QD 1 41 TRP HZ2 5.900 . 5.900 3.314 3.026 3.669 . 0 0 "[ . 1 . ]" 2
32 1 3 LEU QD 1 41 TRP HH2 5.800 . 5.800 2.949 2.436 3.391 . 0 0 "[ . 1 . ]" 2
33 1 4 ILE H 1 4 ILE QG 4.100 . 4.100 2.123 1.976 2.286 . 0 0 "[ . 1 . ]" 2
34 1 4 ILE HA 1 27 TYR QE 8.100 . 8.100 4.751 4.325 5.576 . 0 0 "[ . 1 . ]" 2
35 1 4 ILE MG 1 21 GLU QG 6.500 . 6.500 4.203 3.745 4.793 . 0 0 "[ . 1 . ]" 2
36 1 4 ILE MG 1 25 ARG QD 5.400 . 5.400 2.344 1.937 2.983 . 0 0 "[ . 1 . ]" 2
37 1 4 ILE MG 1 27 TYR QD 9.200 . 9.200 2.588 2.362 2.923 . 0 0 "[ . 1 . ]" 2
38 1 4 ILE MG 1 27 TYR QE 9.200 . 9.200 2.103 1.839 2.718 . 0 0 "[ . 1 . ]" 2
39 1 4 ILE QG 1 5 GLY H 5.800 . 5.800 2.707 2.273 3.558 . 0 0 "[ . 1 . ]" 2
40 1 5 GLY H 1 40 CYS QB 4.600 . 4.600 3.302 2.969 3.775 . 0 0 "[ . 1 . ]" 2
41 1 5 GLY QA 1 6 SER H 2.700 . 2.700 2.276 2.244 2.319 . 0 0 "[ . 1 . ]" 2
42 1 5 GLY QA 1 13 ASN QB 4.500 . 4.500 2.948 2.491 3.340 . 0 0 "[ . 1 . ]" 2
43 1 5 GLY QA 1 13 ASN QD 5.800 . 5.800 4.184 2.356 4.729 . 0 0 "[ . 1 . ]" 2
44 1 6 SER H 1 6 SER QB 2.900 . 2.900 2.364 2.078 2.523 . 0 0 "[ . 1 . ]" 2
45 1 6 SER H 1 13 ASN QB 5.400 . 5.400 2.650 2.212 3.038 . 0 0 "[ . 1 . ]" 2
46 1 6 SER QB 1 7 CYS H 4.200 . 4.200 2.783 2.232 3.184 . 0 0 "[ . 1 . ]" 2
47 1 6 SER QB 1 8 VAL H 3.900 . 3.900 2.833 2.495 3.281 . 0 0 "[ . 1 . ]" 2
48 1 6 SER QB 1 11 ALA MB 4.200 . 4.200 2.980 2.816 3.164 . 0 0 "[ . 1 . ]" 2
49 1 7 CYS H 1 7 CYS QB 3.100 . 3.100 2.609 2.442 2.766 . 0 0 "[ . 1 . ]" 2
50 1 7 CYS HA 1 14 TYR QD 6.600 . 6.600 2.268 1.996 2.729 . 0 0 "[ . 1 . ]" 2
51 1 7 CYS HA 1 14 TYR QE 6.700 . 6.700 2.413 2.130 2.762 . 0 0 "[ . 1 . ]" 2
52 1 7 CYS QB 1 8 VAL H 4.100 . 4.100 3.717 3.629 3.786 . 0 0 "[ . 1 . ]" 2
53 1 7 CYS QB 1 32 CYS HB2 5.200 . 5.200 3.721 3.545 3.922 . 0 0 "[ . 1 . ]" 2
54 1 8 VAL H 1 14 TYR QD 7.100 . 7.100 2.401 2.090 2.973 . 0 0 "[ . 1 . ]" 2
55 1 8 VAL HA 1 9 TRP QB 6.900 . 6.900 4.084 3.952 4.275 . 0 0 "[ . 1 . ]" 2
56 1 9 TRP H 1 14 TYR QE 7.800 . 7.800 3.604 2.819 5.565 . 0 0 "[ . 1 . ]" 2
57 1 9 TRP QB 1 10 GLY H 6.900 . 6.900 3.961 3.781 4.067 . 0 0 "[ . 1 . ]" 2
58 1 9 TRP QB 1 14 TYR QD 9.000 . 9.000 4.282 3.886 4.952 . 0 0 "[ . 1 . ]" 2
59 1 9 TRP QB 1 14 TYR QE 9.000 . 9.000 3.976 3.386 4.963 . 0 0 "[ . 1 . ]" 2
60 1 9 TRP HE3 1 10 GLY QA 6.200 . 6.200 4.119 2.891 5.676 . 0 0 "[ . 1 . ]" 2
61 1 11 ALA H 1 14 TYR QB 4.100 . 4.100 3.635 3.376 3.737 . 0 0 "[ . 1 . ]" 2
62 1 11 ALA MB 1 14 TYR QB 6.500 . 6.500 3.466 3.075 3.769 . 0 0 "[ . 1 . ]" 2
63 1 11 ALA MB 1 14 TYR QD 9.000 . 9.000 4.643 4.307 4.906 . 0 0 "[ . 1 . ]" 2
64 1 12 VAL MG2 1 13 ASN QD 7.900 . 7.900 4.980 2.875 5.906 . 0 0 "[ . 1 . ]" 2
65 1 14 TYR H 1 14 TYR QB 3.500 . 3.500 2.253 2.185 2.369 . 0 0 "[ . 1 . ]" 2
66 1 14 TYR HA 1 14 TYR QB 2.700 . 2.700 2.378 2.319 2.432 . 0 0 "[ . 1 . ]" 2
67 1 14 TYR QB 1 15 THR H 3.900 . 3.900 3.596 3.494 3.639 . 0 0 "[ . 1 . ]" 2
68 1 14 TYR QD 1 15 THR H 6.300 . 6.300 3.228 2.846 3.416 . 0 0 "[ . 1 . ]" 2
69 1 14 TYR QD 1 16 SER HB3 7.500 . 7.500 5.272 4.720 5.813 . 0 0 "[ . 1 . ]" 2
70 1 14 TYR QD 1 16 SER HB2 7.500 . 7.500 4.137 3.442 4.969 . 0 0 "[ . 1 . ]" 2
71 1 14 TYR QD 1 16 SER QB 7.300 . 7.300 3.977 3.380 4.538 . 0 0 "[ . 1 . ]" 2
72 1 14 TYR QE 1 16 SER HB3 6.700 . 6.700 4.944 4.245 5.732 . 0 0 "[ . 1 . ]" 2
73 1 14 TYR QE 1 16 SER HB2 6.700 . 6.700 4.133 3.023 5.086 . 0 0 "[ . 1 . ]" 2
74 1 14 TYR QE 1 16 SER QB 6.400 . 6.400 3.878 2.980 4.483 . 0 0 "[ . 1 . ]" 2
75 1 14 TYR QE 1 37 ASN HA 8.100 3.400 8.100 5.933 5.764 6.075 . 0 0 "[ . 1 . ]" 2
76 1 15 THR MG 1 21 GLU QB 5.100 . 5.100 2.903 2.448 3.439 . 0 0 "[ . 1 . ]" 2
77 1 15 THR MG 1 21 GLU QG 5.900 . 5.900 2.753 2.283 3.286 . 0 0 "[ . 1 . ]" 2
78 1 15 THR MG 1 40 CYS QB 5.600 . 5.600 3.143 2.472 3.619 . 0 0 "[ . 1 . ]" 2
79 1 16 SER H 1 16 SER QB 2.900 . 2.900 2.264 2.133 2.342 . 0 0 "[ . 1 . ]" 2
80 1 16 SER QB 1 17 ASP H 3.500 . 3.500 2.563 2.322 2.895 . 0 0 "[ . 1 . ]" 2
81 1 19 ASN H 1 19 ASN QB 3.400 . 3.400 2.340 2.307 2.373 . 0 0 "[ . 1 . ]" 2
82 1 19 ASN HA 1 30 GLY QA 4.300 . 4.300 3.454 2.999 3.851 . 0 0 "[ . 1 . ]" 2
83 1 19 ASN QB 1 20 GLY H 4.300 . 4.300 2.740 2.513 2.994 . 0 0 "[ . 1 . ]" 2
84 1 19 ASN QB 1 30 GLY H 4.200 . 4.200 2.690 2.510 2.896 . 0 0 "[ . 1 . ]" 2
85 1 19 ASN QD 1 25 ARG QG 7.400 . 7.400 6.009 5.931 6.110 . 0 0 "[ . 1 . ]" 2
86 1 20 GLY HA3 1 23 LYS QB 5.700 . 5.700 4.393 4.170 4.573 . 0 0 "[ . 1 . ]" 2
87 1 20 GLY HA2 1 23 LYS QB 5.700 . 5.700 2.959 2.719 3.152 . 0 0 "[ . 1 . ]" 2
88 1 20 GLY QA 1 22 CYS H 5.800 . 5.800 4.253 4.147 4.501 . 0 0 "[ . 1 . ]" 2
89 1 20 GLY QA 1 23 LYS QB 5.000 . 5.000 2.915 2.686 3.099 . 0 0 "[ . 1 . ]" 2
90 1 20 GLY QA 1 24 ARG H 5.600 . 5.600 4.023 3.933 4.112 . 0 0 "[ . 1 . ]" 2
91 1 21 GLU H 1 21 GLU QG 5.000 . 5.000 4.096 4.006 4.150 . 0 0 "[ . 1 . ]" 2
92 1 21 GLU HA 1 24 ARG QG 6.900 . 6.900 3.941 3.437 4.386 . 0 0 "[ . 1 . ]" 2
93 1 21 GLU HA 1 24 ARG QD 6.900 . 6.900 4.012 2.135 5.245 . 0 0 "[ . 1 . ]" 2
94 1 21 GLU QB 1 22 CYS H 3.200 . 3.200 2.286 2.161 2.388 . 0 0 "[ . 1 . ]" 2
95 1 22 CYS HB3 1 30 GLY QA 5.300 . 5.300 3.830 3.450 4.382 . 0 0 "[ . 1 . ]" 2
96 1 22 CYS HB2 1 27 TYR QB 4.700 . 4.700 4.137 4.038 4.253 . 0 0 "[ . 1 . ]" 2
97 1 22 CYS HB2 1 30 GLY QA 6.900 . 6.900 3.223 2.738 3.977 . 0 0 "[ . 1 . ]" 2
98 1 23 LYS H 1 23 LYS QD 4.400 . 4.400 3.778 3.238 4.039 . 0 0 "[ . 1 . ]" 2
99 1 23 LYS H 1 27 TYR QD 8.100 . 8.100 5.768 5.131 6.076 . 0 0 "[ . 1 . ]" 2
100 1 23 LYS QB 1 23 LYS QE 7.800 . 7.800 3.302 1.995 3.950 . 0 0 "[ . 1 . ]" 2
101 1 23 LYS QB 1 24 ARG H 4.200 . 4.200 2.477 2.236 2.690 . 0 0 "[ . 1 . ]" 2
102 1 23 LYS QD 1 29 GLY HA3 6.400 . 6.400 4.910 4.252 5.793 . 0 0 "[ . 1 . ]" 2
103 1 23 LYS QD 1 29 GLY HA2 6.400 . 6.400 4.079 3.026 4.697 . 0 0 "[ . 1 . ]" 2
104 1 23 LYS QD 1 29 GLY QA 5.700 . 5.700 3.880 2.969 4.495 . 0 0 "[ . 1 . ]" 2
105 1 24 ARG H 1 24 ARG QB 2.700 . 2.700 2.001 1.918 2.155 . 0 0 "[ . 1 . ]" 2
106 1 24 ARG H 1 24 ARG QG 3.900 . 3.900 3.568 3.477 3.648 . 0 0 "[ . 1 . ]" 2
107 1 24 ARG HA 1 24 ARG QG 3.500 . 3.500 2.178 2.040 2.359 . 0 0 "[ . 1 . ]" 2
108 1 24 ARG QB 1 24 ARG HE 4.400 . 4.400 2.440 1.818 3.981 . 0 0 "[ . 1 . ]" 2
109 1 25 ARG H 1 25 ARG QB 3.800 . 3.800 2.727 2.530 2.970 . 0 0 "[ . 1 . ]" 2
110 1 25 ARG H 1 25 ARG QG 4.800 . 4.800 2.143 1.858 2.368 . 0 0 "[ . 1 . ]" 2
111 1 25 ARG H 1 25 ARG QD 6.200 . 6.200 4.106 3.850 4.310 . 0 0 "[ . 1 . ]" 2
112 1 25 ARG H 1 27 TYR QD 8.100 . 8.100 4.835 4.309 5.187 . 0 0 "[ . 1 . ]" 2
113 1 25 ARG HA 1 25 ARG QG 3.600 . 3.600 2.710 2.536 2.917 . 0 0 "[ . 1 . ]" 2
114 1 25 ARG HA 1 25 ARG QD 5.100 . 5.100 3.874 3.068 4.276 . 0 0 "[ . 1 . ]" 2
115 1 25 ARG HA 1 27 TYR QD 8.100 . 8.100 5.057 4.574 5.554 . 0 0 "[ . 1 . ]" 2
116 1 25 ARG HA 1 27 TYR QE 7.800 . 7.800 5.052 4.564 5.909 . 0 0 "[ . 1 . ]" 2
117 1 25 ARG HB3 1 27 TYR QD 8.100 . 8.100 3.853 3.088 4.408 . 0 0 "[ . 1 . ]" 2
118 1 25 ARG HB2 1 27 TYR QD 8.100 . 8.100 2.967 2.345 3.265 . 0 0 "[ . 1 . ]" 2
119 1 25 ARG QB 1 27 TYR QD 7.300 . 7.300 2.865 2.318 3.180 . 0 0 "[ . 1 . ]" 2
120 1 25 ARG QB 1 27 TYR QE 7.000 . 7.000 3.028 2.750 3.599 . 0 0 "[ . 1 . ]" 2
121 1 25 ARG HG3 1 27 TYR QD 8.100 . 8.100 3.830 3.169 4.247 . 0 0 "[ . 1 . ]" 2
122 1 25 ARG HG2 1 27 TYR QD 8.100 . 8.100 5.124 4.630 5.379 . 0 0 "[ . 1 . ]" 2
123 1 25 ARG QG 1 27 TYR QE 9.000 . 9.000 4.168 3.474 4.725 . 0 0 "[ . 1 . ]" 2
124 1 25 ARG HD3 1 27 TYR QE 7.300 . 7.300 3.295 2.418 4.317 . 0 0 "[ . 1 . ]" 2
125 1 25 ARG HD2 1 27 TYR QE 7.300 . 7.300 3.517 2.406 4.649 . 0 0 "[ . 1 . ]" 2
126 1 25 ARG QD 1 27 TYR QD 9.000 . 9.000 3.578 2.636 4.082 . 0 0 "[ . 1 . ]" 2
127 1 25 ARG QD 1 27 TYR QE 7.100 . 7.100 2.936 2.249 3.581 . 0 0 "[ . 1 . ]" 2
128 1 26 GLY H 1 26 GLY QA 2.600 . 2.600 2.255 2.232 2.276 . 0 0 "[ . 1 . ]" 2
129 1 26 GLY H 1 27 TYR QD 8.100 . 8.100 4.812 4.520 5.231 . 0 0 "[ . 1 . ]" 2
130 1 27 TYR H 1 27 TYR QB 3.500 . 3.500 2.381 2.304 2.481 . 0 0 "[ . 1 . ]" 2
131 1 27 TYR QB 1 28 LYS H 4.400 . 4.400 2.305 1.913 2.861 . 0 0 "[ . 1 . ]" 2
132 1 27 TYR QB 1 42 CYS HB3 4.400 . 4.400 3.191 2.835 3.818 . 0 0 "[ . 1 . ]" 2
133 1 27 TYR QB 1 43 GLU H 5.900 . 5.900 3.832 2.812 4.418 . 0 0 "[ . 1 . ]" 2
134 1 27 TYR QD 1 28 LYS QG 7.800 . 7.800 5.321 4.859 5.613 . 0 0 "[ . 1 . ]" 2
135 1 27 TYR QD 1 42 CYS HA 8.100 . 8.100 5.008 4.402 5.720 . 0 0 "[ . 1 . ]" 2
136 1 27 TYR QD 1 42 CYS HB3 6.200 . 6.200 2.942 2.186 4.069 . 0 0 "[ . 1 . ]" 2
137 1 27 TYR QD 1 44 THR HA 6.600 . 6.600 4.674 3.603 5.828 . 0 0 "[ . 1 . ]" 2
138 1 27 TYR QD 1 44 THR MG 7.300 . 7.300 2.518 2.077 2.718 . 0 0 "[ . 1 . ]" 2
139 1 27 TYR QE 1 28 LYS QG 8.900 . 8.900 6.977 6.522 7.271 . 0 0 "[ . 1 . ]" 2
140 1 27 TYR QE 1 42 CYS HB3 8.100 . 8.100 4.415 3.764 5.124 . 0 0 "[ . 1 . ]" 2
141 1 27 TYR QE 1 44 THR HA 8.100 . 8.100 5.764 5.080 6.923 . 0 0 "[ . 1 . ]" 2
142 1 27 TYR QE 1 44 THR HB 8.100 . 8.100 4.743 4.118 5.365 . 0 0 "[ . 1 . ]" 2
143 1 27 TYR QE 1 44 THR MG 6.900 . 6.900 2.949 2.444 3.312 . 0 0 "[ . 1 . ]" 2
144 1 28 LYS H 1 28 LYS QG 4.900 . 4.900 2.294 1.757 3.018 0.043 9 0 "[ . 1 . ]" 2
145 1 28 LYS QB 1 29 GLY H 4.200 . 4.200 2.627 1.901 3.634 . 0 0 "[ . 1 . ]" 2
146 1 29 GLY QA 1 30 GLY H 3.100 . 3.100 2.339 2.285 2.389 . 0 0 "[ . 1 . ]" 2
147 1 30 GLY QA 1 31 HIS H 2.700 . 2.700 2.215 2.149 2.266 . 0 0 "[ . 1 . ]" 2
148 1 30 GLY QA 1 43 GLU H 4.100 . 4.100 3.099 2.848 3.311 . 0 0 "[ . 1 . ]" 2
149 1 30 GLY QA 1 43 GLU QG 5.300 . 5.300 3.540 2.402 4.393 . 0 0 "[ . 1 . ]" 2
150 1 31 HIS H 1 41 TRP QB 6.900 . 6.900 3.893 3.532 4.160 . 0 0 "[ . 1 . ]" 2
151 1 31 HIS HD2 1 33 GLY QA 4.200 . 4.200 3.371 3.057 3.758 . 0 0 "[ . 1 . ]" 2
152 1 31 HIS HD2 1 41 TRP QB 6.200 . 6.200 3.998 3.192 5.549 . 0 0 "[ . 1 . ]" 2
153 1 31 HIS HE1 1 41 TRP QB 6.600 . 6.600 4.462 3.193 6.019 . 0 0 "[ . 1 . ]" 2
154 1 31 HIS HE1 1 43 GLU QG 4.000 . 4.000 2.998 2.002 3.726 . 0 0 "[ . 1 . ]" 2
155 1 32 CYS HB2 1 37 ASN QB 4.700 . 4.700 4.120 3.935 4.285 . 0 0 "[ . 1 . ]" 2
156 1 33 GLY QA 1 37 ASN HA 6.900 . 6.900 4.766 4.265 5.323 . 0 0 "[ . 1 . ]" 2
157 1 33 GLY QA 1 41 TRP HD1 4.000 . 4.000 2.519 1.997 3.168 . 0 0 "[ . 1 . ]" 2
158 1 34 SER H 1 34 SER QB 3.400 . 3.400 2.889 2.589 3.084 . 0 0 "[ . 1 . ]" 2
159 1 34 SER QB 1 35 PHE H 2.800 . 2.800 1.999 1.812 2.302 . 0 0 "[ . 1 . ]" 2
160 1 35 PHE QB 1 36 ALA H 3.900 . 3.900 3.573 3.525 3.628 . 0 0 "[ . 1 . ]" 2
161 1 35 PHE QD 1 36 ALA H 7.700 . 7.700 3.230 2.838 3.472 . 0 0 "[ . 1 . ]" 2
162 1 35 PHE QD 1 36 ALA MB 7.000 . 7.000 2.473 2.089 2.965 . 0 0 "[ . 1 . ]" 2
163 1 35 PHE QE 1 36 ALA MB 7.800 . 7.800 2.913 2.400 3.622 . 0 0 "[ . 1 . ]" 2
164 1 38 VAL QG 1 39 ASN QD 7.500 . 7.500 3.145 2.153 4.975 . 0 0 "[ . 1 . ]" 2
165 1 39 ASN H 1 39 ASN QB 3.200 . 3.200 2.631 2.537 2.761 . 0 0 "[ . 1 . ]" 2
166 1 39 ASN QB 1 40 CYS H 4.300 . 4.300 2.839 2.596 3.215 . 0 0 "[ . 1 . ]" 2
167 1 39 ASN QB 1 41 TRP HD1 6.400 . 6.400 3.888 3.472 4.328 . 0 0 "[ . 1 . ]" 2
168 1 39 ASN QB 1 41 TRP HE1 3.900 . 3.900 2.301 1.893 2.751 . 0 0 "[ . 1 . ]" 2
169 1 39 ASN QD 1 41 TRP HE1 5.600 . 5.600 4.051 2.805 5.028 . 0 0 "[ . 1 . ]" 2
170 1 39 ASN QD 1 41 TRP HZ2 6.500 . 6.500 3.010 2.378 4.658 . 0 0 "[ . 1 . ]" 2
171 1 40 CYS H 1 40 CYS QB 3.500 . 3.500 2.341 2.197 2.472 . 0 0 "[ . 1 . ]" 2
172 1 40 CYS QB 1 41 TRP H 6.900 . 6.900 3.722 3.557 4.021 . 0 0 "[ . 1 . ]" 2
173 1 41 TRP H 1 41 TRP QB 3.500 . 3.500 2.616 2.502 2.720 . 0 0 "[ . 1 . ]" 2
174 1 41 TRP QB 1 42 CYS H 3.800 . 3.800 2.801 2.632 2.966 . 0 0 "[ . 1 . ]" 2
175 1 42 CYS HA 1 43 GLU QG 5.500 . 5.500 3.841 2.946 4.829 . 0 0 "[ . 1 . ]" 2
176 1 43 GLU H 1 43 GLU QB 3.000 . 3.000 2.312 1.995 2.748 . 0 0 "[ . 1 . ]" 2
177 1 43 GLU H 1 43 GLU QG 4.900 . 4.900 2.906 1.880 3.688 . 0 0 "[ . 1 . ]" 2
178 1 43 GLU HA 1 43 GLU QG 3.800 . 3.800 2.421 2.158 3.301 . 0 0 "[ . 1 . ]" 2
179 1 43 GLU QB 1 44 THR H 4.500 . 4.500 3.282 2.219 3.914 . 0 0 "[ . 1 . ]" 2
180 1 43 GLU QG 1 44 THR H 5.700 . 5.700 4.298 3.536 4.722 . 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 26
_Distance_constraint_stats_list.Viol_count 31
_Distance_constraint_stats_list.Viol_total 13.943
_Distance_constraint_stats_list.Viol_max 0.059
_Distance_constraint_stats_list.Viol_rms 0.0072
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0017
_Distance_constraint_stats_list.Viol_average_violations_only 0.0250
_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 11 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 13 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 17 ASP 0.084 0.038 12 0 "[ . 1 . ]"
1 18 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 19 ASN 0.492 0.059 4 0 "[ . 1 . ]"
1 20 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 21 GLU 0.084 0.038 12 0 "[ . 1 . ]"
1 22 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 23 LYS 0.492 0.059 4 0 "[ . 1 . ]"
1 24 ARG 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 29 GLY 0.106 0.033 1 0 "[ . 1 . ]"
1 31 HIS 0.092 0.041 5 0 "[ . 1 . ]"
1 40 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 41 TRP 0.092 0.041 5 0 "[ . 1 . ]"
1 42 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 43 GLU 0.106 0.033 1 0 "[ . 1 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 22 CYS O 1 25 ARG N 3.000 2.500 3.500 2.775 2.741 2.857 . 0 0 "[ . 1 . ]" 3
2 1 22 CYS O 1 25 ARG H 2.000 . 2.350 2.026 1.990 2.049 . 0 0 "[ . 1 . ]" 3
3 1 20 GLY O 1 24 ARG N 3.000 2.500 3.500 2.955 2.868 3.003 . 0 0 "[ . 1 . ]" 3
4 1 20 GLY O 1 24 ARG H 2.000 . 2.350 2.018 1.960 2.063 . 0 0 "[ . 1 . ]" 3
5 1 22 CYS O 1 27 TYR N 3.000 2.500 3.500 2.961 2.915 2.991 . 0 0 "[ . 1 . ]" 3
6 1 22 CYS O 1 27 TYR H 2.000 . 2.350 2.047 2.027 2.075 . 0 0 "[ . 1 . ]" 3
7 1 5 GLY O 1 40 CYS N 3.000 2.500 3.500 2.937 2.845 3.001 . 0 0 "[ . 1 . ]" 3
8 1 5 GLY O 1 40 CYS H 2.000 . 2.350 1.990 1.937 2.036 . 0 0 "[ . 1 . ]" 3
9 1 2 LYS N 1 42 CYS O 3.000 2.500 3.500 2.867 2.725 2.968 . 0 0 "[ . 1 . ]" 3
10 1 2 LYS H 1 42 CYS O 2.000 . 2.350 1.975 1.831 2.069 . 0 0 "[ . 1 . ]" 3
11 1 11 ALA O 1 13 ASN N 3.000 2.500 3.500 2.870 2.699 2.892 . 0 0 "[ . 1 . ]" 3
12 1 11 ALA O 1 13 ASN H 2.000 . 2.350 2.015 1.849 2.049 . 0 0 "[ . 1 . ]" 3
13 1 17 ASP O 1 21 GLU N 3.000 2.500 3.500 2.833 2.735 2.950 . 0 0 "[ . 1 . ]" 3
14 1 17 ASP O 1 21 GLU H 2.000 . 2.350 1.852 1.762 1.967 0.038 12 0 "[ . 1 . ]" 3
15 1 19 ASN O 1 23 LYS N 3.000 2.500 3.500 2.731 2.698 2.782 . 0 0 "[ . 1 . ]" 3
16 1 19 ASN O 1 23 LYS H 2.000 . 2.350 1.773 1.741 1.807 0.059 4 0 "[ . 1 . ]" 3
17 1 23 LYS O 1 26 GLY N 3.000 2.500 3.500 2.759 2.714 2.819 . 0 0 "[ . 1 . ]" 3
18 1 23 LYS O 1 26 GLY H 2.000 . 2.350 1.850 1.801 1.910 . 0 0 "[ . 1 . ]" 3
19 1 31 HIS N 1 41 TRP O 3.000 2.500 3.500 2.752 2.655 2.847 . 0 0 "[ . 1 . ]" 3
20 1 31 HIS H 1 41 TRP O 2.000 . 2.350 1.835 1.759 1.909 0.041 5 0 "[ . 1 . ]" 3
21 1 29 GLY O 1 43 GLU N 3.000 2.500 3.500 2.719 2.582 2.857 . 0 0 "[ . 1 . ]" 3
22 1 29 GLY O 1 43 GLU H 2.000 . 2.350 1.833 1.767 1.973 0.033 1 0 "[ . 1 . ]" 3
23 1 18 CYS O 1 22 CYS N 3.000 2.500 3.500 2.914 2.762 2.988 . 0 0 "[ . 1 . ]" 3
24 1 18 CYS O 1 22 CYS H 2.000 . 2.350 1.956 1.808 2.027 . 0 0 "[ . 1 . ]" 3
25 1 31 HIS O 1 41 TRP N 3.000 2.500 3.500 2.775 2.656 2.849 . 0 0 "[ . 1 . ]" 3
26 1 31 HIS O 1 41 TRP H 2.000 . 2.350 1.963 1.926 2.008 . 0 0 "[ . 1 . ]" 3
stop_
save_
Contact the webmaster for help, if required. Sunday, May 19, 2024 8:28:02 AM GMT (wattos1)