NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
390839 |
1ow5   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ow5
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 242
_Distance_constraint_stats_list.Viol_count 7
_Distance_constraint_stats_list.Viol_total 0.892
_Distance_constraint_stats_list.Viol_max 0.247
_Distance_constraint_stats_list.Viol_rms 0.0252
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0037
_Distance_constraint_stats_list.Viol_average_violations_only 0.1274
_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 16 PRO 0.000 0.000 . 0 "[ ]"
1 17 PHE 0.000 0.000 . 0 "[ ]"
1 18 VAL 0.064 0.064 1 0 "[ ]"
1 19 GLN 0.000 0.000 . 0 "[ ]"
1 20 LEU 0.000 0.000 . 0 "[ ]"
1 21 PHE 0.000 0.000 . 0 "[ ]"
1 22 LEU 0.000 0.000 . 0 "[ ]"
1 23 GLU 0.000 0.000 . 0 "[ ]"
1 24 GLU 0.000 0.000 . 0 "[ ]"
1 25 ILE 0.000 0.000 . 0 "[ ]"
1 26 GLY 0.000 0.000 . 0 "[ ]"
1 27 CYS 0.000 0.000 . 0 "[ ]"
1 28 THR 0.000 0.000 . 0 "[ ]"
1 29 GLN 0.000 0.000 . 0 "[ ]"
1 30 TYR 0.000 0.000 . 0 "[ ]"
1 31 LEU 0.000 0.000 . 0 "[ ]"
1 32 ASP 0.000 0.000 . 0 "[ ]"
1 33 SER 0.191 0.191 1 0 "[ ]"
1 34 PHE 0.000 0.000 . 0 "[ ]"
1 35 ILE 0.000 0.000 . 0 "[ ]"
1 36 GLN 0.000 0.000 . 0 "[ ]"
1 37 CYS 0.000 0.000 . 0 "[ ]"
1 38 ASN 0.000 0.000 . 0 "[ ]"
1 39 LEU 0.000 0.000 . 0 "[ ]"
1 40 VAL 0.000 0.000 . 0 "[ ]"
1 41 THR 0.077 0.077 1 0 "[ ]"
1 42 GLU 0.000 0.000 . 0 "[ ]"
1 43 GLU 0.000 0.000 . 0 "[ ]"
1 44 GLU 0.000 0.000 . 0 "[ ]"
1 45 ILE 0.000 0.000 . 0 "[ ]"
1 46 LYS 0.000 0.000 . 0 "[ ]"
1 47 TYR 0.000 0.000 . 0 "[ ]"
1 48 LEU 0.000 0.000 . 0 "[ ]"
1 49 ASP 0.000 0.000 . 0 "[ ]"
1 50 LYS 0.000 0.000 . 0 "[ ]"
1 51 ASP 0.000 0.000 . 0 "[ ]"
1 52 ILE 0.247 0.247 1 0 "[ ]"
1 53 LEU 0.247 0.247 1 0 "[ ]"
1 54 ILE 0.000 0.000 . 0 "[ ]"
1 55 ALA 0.000 0.000 . 0 "[ ]"
1 56 LEU 0.000 0.000 . 0 "[ ]"
1 57 GLY 0.000 0.000 . 0 "[ ]"
1 58 VAL 0.059 0.059 1 0 "[ ]"
1 59 ASN 0.000 0.000 . 0 "[ ]"
1 60 LYS 0.059 0.059 1 0 "[ ]"
1 62 GLY 0.000 0.000 . 0 "[ ]"
1 63 ASP 0.000 0.000 . 0 "[ ]"
1 64 ARG 0.000 0.000 . 0 "[ ]"
1 65 LEU 0.000 0.000 . 0 "[ ]"
1 66 LYS 0.000 0.000 . 0 "[ ]"
1 67 ILE 0.000 0.000 . 0 "[ ]"
1 68 LEU 0.000 0.000 . 0 "[ ]"
1 69 ARG 0.206 0.206 1 0 "[ ]"
1 70 LYS 0.000 0.000 . 0 "[ ]"
1 71 SER 0.000 0.000 . 0 "[ ]"
1 72 LYS 0.000 0.000 . 0 "[ ]"
1 73 SER 0.000 0.000 . 0 "[ ]"
1 74 PHE 0.048 0.048 1 0 "[ ]"
1 75 GLN 0.048 0.048 1 0 "[ ]"
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 54 ILE H 1 55 ALA H 3.500 . 3.500 2.708 2.708 2.708 . 0 0 "[ ]" 1
2 1 53 LEU H 1 54 ILE H 5.500 . 5.500 2.706 2.706 2.706 . 0 0 "[ ]" 1
3 1 51 ASP HA 1 54 ILE H 5.500 . 5.500 3.411 3.411 3.411 . 0 0 "[ ]" 1
4 1 53 LEU HA 1 54 ILE H 5.500 . 5.500 3.547 3.547 3.547 . 0 0 "[ ]" 1
5 1 53 LEU MD1 1 54 ILE H 5.800 . 5.800 4.659 4.659 4.659 . 0 0 "[ ]" 1
6 1 54 ILE H 1 54 ILE MD 3.700 . 3.700 3.499 3.499 3.499 . 0 0 "[ ]" 1
7 1 17 PHE H 1 18 VAL H 5.500 . 5.500 2.838 2.838 2.838 . 0 0 "[ ]" 1
8 1 16 PRO HA 1 17 PHE H 2.900 . 2.900 2.325 2.325 2.325 . 0 0 "[ ]" 1
9 1 16 PRO HB2 1 17 PHE H 5.500 . 5.500 2.981 2.981 2.981 . 0 0 "[ ]" 1
10 1 16 PRO HB3 1 17 PHE H 5.500 . 5.500 3.661 3.661 3.661 . 0 0 "[ ]" 1
11 1 18 VAL H 1 19 GLN H 5.500 . 5.500 2.894 2.894 2.894 . 0 0 "[ ]" 1
12 1 17 PHE QD 1 18 VAL H 5.500 . 5.500 3.544 3.544 3.544 . 0 0 "[ ]" 1
13 1 16 PRO HA 1 18 VAL H 5.500 . 5.500 4.266 4.266 4.266 . 0 0 "[ ]" 1
14 1 17 PHE HA 1 18 VAL H 5.500 . 5.500 3.563 3.563 3.563 . 0 0 "[ ]" 1
15 1 17 PHE QB 1 18 VAL H 5.500 . 5.500 2.675 2.675 2.675 . 0 0 "[ ]" 1
16 1 18 VAL H 1 18 VAL HB 3.400 . 3.400 2.459 2.459 2.459 . 0 0 "[ ]" 1
17 1 18 VAL H 1 18 VAL MG1 3.700 . 3.700 3.764 3.764 3.764 0.064 1 0 "[ ]" 1
18 1 19 GLN H 1 21 PHE H 5.500 . 5.500 4.434 4.434 4.434 . 0 0 "[ ]" 1
19 1 16 PRO HA 1 19 GLN H 5.500 . 5.500 4.931 4.931 4.931 . 0 0 "[ ]" 1
20 1 18 VAL HA 1 19 GLN H 5.500 . 5.500 3.575 3.575 3.575 . 0 0 "[ ]" 1
21 1 18 VAL MG1 1 19 GLN H 3.800 . 3.800 3.167 3.167 3.167 . 0 0 "[ ]" 1
22 1 20 LEU H 1 21 PHE H 3.500 . 3.500 2.864 2.864 2.864 . 0 0 "[ ]" 1
23 1 20 LEU H 1 20 LEU QB 3.400 . 3.400 2.259 2.259 2.259 . 0 0 "[ ]" 1
24 1 20 LEU H 1 20 LEU MD2 4.300 . 4.300 4.228 4.228 4.228 . 0 0 "[ ]" 1
25 1 17 PHE QD 1 21 PHE H 5.500 . 5.500 4.044 4.044 4.044 . 0 0 "[ ]" 1
26 1 18 VAL HA 1 21 PHE H 5.500 . 5.500 4.086 4.086 4.086 . 0 0 "[ ]" 1
27 1 20 LEU MD1 1 21 PHE H 5.800 . 5.800 4.487 4.487 4.487 . 0 0 "[ ]" 1
28 1 22 LEU H 1 23 GLU H 5.500 . 5.500 2.686 2.686 2.686 . 0 0 "[ ]" 1
29 1 21 PHE H 1 22 LEU H 5.500 . 5.500 2.622 2.622 2.622 . 0 0 "[ ]" 1
30 1 21 PHE QD 1 22 LEU H 5.500 . 5.500 2.230 2.230 2.230 . 0 0 "[ ]" 1
31 1 20 LEU HA 1 22 LEU H 5.500 . 5.500 4.618 4.618 4.618 . 0 0 "[ ]" 1
32 1 21 PHE HA 1 22 LEU H 5.500 . 5.500 3.550 3.550 3.550 . 0 0 "[ ]" 1
33 1 21 PHE QB 1 22 LEU H 5.500 . 5.500 3.281 3.281 3.281 . 0 0 "[ ]" 1
34 1 22 LEU H 1 22 LEU MD1 4.300 . 4.300 4.209 4.209 4.209 . 0 0 "[ ]" 1
35 1 22 LEU MD1 1 23 GLU H 5.800 . 5.800 4.837 4.837 4.837 . 0 0 "[ ]" 1
36 1 23 GLU H 1 24 GLU H 2.900 . 2.900 2.735 2.735 2.735 . 0 0 "[ ]" 1
37 1 24 GLU H 1 25 ILE H 5.500 . 5.500 2.743 2.743 2.743 . 0 0 "[ ]" 1
38 1 64 ARG H 1 64 ARG QB 3.400 . 3.400 2.498 2.498 2.498 . 0 0 "[ ]" 1
39 1 64 ARG H 1 67 ILE MD 5.800 . 5.800 4.483 4.483 4.483 . 0 0 "[ ]" 1
40 1 58 VAL MG1 1 64 ARG H 5.800 . 5.800 3.226 3.226 3.226 . 0 0 "[ ]" 1
41 1 25 ILE H 1 27 CYS H 5.500 . 5.500 4.203 4.203 4.203 . 0 0 "[ ]" 1
42 1 25 ILE H 1 26 GLY H . . 2.900 2.670 2.670 2.670 . 0 0 "[ ]" 1
43 1 24 GLU HA 1 25 ILE H 5.500 . 5.500 3.528 3.528 3.528 . 0 0 "[ ]" 1
44 1 22 LEU HA 1 25 ILE H 5.500 . 5.500 3.552 3.552 3.552 . 0 0 "[ ]" 1
45 1 25 ILE H 1 25 ILE MG 4.300 . 4.300 3.777 3.777 3.777 . 0 0 "[ ]" 1
46 1 26 GLY H 1 27 CYS H 3.500 . 3.500 2.402 2.402 2.402 . 0 0 "[ ]" 1
47 1 25 ILE HA 1 26 GLY H 5.500 . 5.500 3.501 3.501 3.501 . 0 0 "[ ]" 1
48 1 25 ILE HB 1 26 GLY H 5.500 . 5.500 2.843 2.843 2.843 . 0 0 "[ ]" 1
49 1 25 ILE MG 1 26 GLY H 5.800 . 5.800 3.680 3.680 3.680 . 0 0 "[ ]" 1
50 1 25 ILE MD 1 26 GLY H 5.800 . 5.800 4.636 4.636 4.636 . 0 0 "[ ]" 1
51 1 27 CYS H 1 28 THR H 5.500 . 5.500 4.143 4.143 4.143 . 0 0 "[ ]" 1
52 1 26 GLY QA 1 27 CYS H 5.500 . 5.500 2.936 2.936 2.936 . 0 0 "[ ]" 1
53 1 25 ILE HG12 1 27 CYS H 5.500 . 5.500 5.369 5.369 5.369 . 0 0 "[ ]" 1
54 1 25 ILE MD 1 27 CYS H 5.800 . 5.800 4.162 4.162 4.162 . 0 0 "[ ]" 1
55 1 27 CYS HA 1 28 THR H 5.500 . 5.500 2.196 2.196 2.196 . 0 0 "[ ]" 1
56 1 28 THR H 1 28 THR MG 3.700 . 3.700 2.152 2.152 2.152 . 0 0 "[ ]" 1
57 1 29 GLN H 1 30 TYR H 5.500 . 5.500 2.833 2.833 2.833 . 0 0 "[ ]" 1
58 1 30 TYR H 1 31 LEU H 2.900 . 2.900 2.577 2.577 2.577 . 0 0 "[ ]" 1
59 1 29 GLN HA 1 30 TYR H 5.500 . 5.500 3.554 3.554 3.554 . 0 0 "[ ]" 1
60 1 30 TYR H 1 31 LEU QB 5.500 . 5.500 4.345 4.345 4.345 . 0 0 "[ ]" 1
61 1 29 GLN QG 1 30 TYR H 5.500 . 5.500 3.775 3.775 3.775 . 0 0 "[ ]" 1
62 1 29 GLN QB 1 30 TYR H 5.500 . 5.500 2.559 2.559 2.559 . 0 0 "[ ]" 1
63 1 31 LEU H 1 32 ASP H . . 3.500 2.682 2.682 2.682 . 0 0 "[ ]" 1
64 1 31 LEU H 1 33 SER H 5.500 . 5.500 3.985 3.985 3.985 . 0 0 "[ ]" 1
65 1 30 TYR QD 1 31 LEU H 5.500 . 5.500 4.300 4.300 4.300 . 0 0 "[ ]" 1
66 1 30 TYR HA 1 31 LEU H 5.500 . 5.500 3.514 3.514 3.514 . 0 0 "[ ]" 1
67 1 29 GLN HA 1 31 LEU H 5.500 . 5.500 4.034 4.034 4.034 . 0 0 "[ ]" 1
68 1 28 THR HA 1 31 LEU H 5.500 . 5.500 2.936 2.936 2.936 . 0 0 "[ ]" 1
69 1 30 TYR QB 1 31 LEU H 5.500 . 5.500 2.794 2.794 2.794 . 0 0 "[ ]" 1
70 1 31 LEU H 1 31 LEU QB 3.400 . 3.400 2.238 2.238 2.238 . 0 0 "[ ]" 1
71 1 28 THR MG 1 31 LEU H 5.800 . 5.800 4.779 4.779 4.779 . 0 0 "[ ]" 1
72 1 31 LEU H 1 31 LEU MD2 4.300 . 4.300 4.289 4.289 4.289 . 0 0 "[ ]" 1
73 1 22 LEU MD1 1 31 LEU H 3.800 . 3.800 2.999 2.999 2.999 . 0 0 "[ ]" 1
74 1 32 ASP H 1 33 SER H 2.900 . 2.900 2.615 2.615 2.615 . 0 0 "[ ]" 1
75 1 31 LEU HA 1 32 ASP H 5.500 . 5.500 3.542 3.542 3.542 . 0 0 "[ ]" 1
76 1 32 ASP H 1 32 ASP QB 3.400 . 3.400 2.427 2.427 2.427 . 0 0 "[ ]" 1
77 1 31 LEU QB 1 32 ASP H 2.900 . 2.900 2.480 2.480 2.480 . 0 0 "[ ]" 1
78 1 31 LEU HG 1 32 ASP H 5.500 . 5.500 4.665 4.665 4.665 . 0 0 "[ ]" 1
79 1 33 SER H 1 33 SER HB3 3.400 . 3.400 3.591 3.591 3.591 0.191 1 0 "[ ]" 1
80 1 32 ASP QB 1 33 SER H 2.900 . 2.900 2.614 2.614 2.614 . 0 0 "[ ]" 1
81 1 31 LEU QB 1 33 SER H 5.500 . 5.500 4.576 4.576 4.576 . 0 0 "[ ]" 1
82 1 34 PHE H 1 35 ILE H 2.900 . 2.900 2.648 2.648 2.648 . 0 0 "[ ]" 1
83 1 34 PHE H 1 34 PHE QD 3.400 . 3.400 2.168 2.168 2.168 . 0 0 "[ ]" 1
84 1 34 PHE H 1 34 PHE QE 6.000 . 6.000 4.487 4.487 4.487 . 0 0 "[ ]" 1
85 1 22 LEU MD1 1 34 PHE H 5.800 . 5.800 3.770 3.770 3.770 . 0 0 "[ ]" 1
86 1 35 ILE H 1 36 GLN H 3.500 . 3.500 2.659 2.659 2.659 . 0 0 "[ ]" 1
87 1 34 PHE QD 1 35 ILE H 5.500 . 5.500 4.366 4.366 4.366 . 0 0 "[ ]" 1
88 1 32 ASP HA 1 35 ILE H 5.500 . 5.500 3.224 3.224 3.224 . 0 0 "[ ]" 1
89 1 34 PHE QB 1 35 ILE H 5.500 . 5.500 2.687 2.687 2.687 . 0 0 "[ ]" 1
90 1 35 ILE H 1 35 ILE HB 3.400 . 3.400 2.623 2.623 2.623 . 0 0 "[ ]" 1
91 1 35 ILE H 1 35 ILE MD 3.700 . 3.700 2.742 2.742 2.742 . 0 0 "[ ]" 1
92 1 36 GLN H 1 38 ASN H 5.500 . 5.500 3.732 3.732 3.732 . 0 0 "[ ]" 1
93 1 36 GLN H 1 37 CYS H . . 2.900 2.757 2.757 2.757 . 0 0 "[ ]" 1
94 1 33 SER HA 1 36 GLN H 5.500 . 5.500 3.440 3.440 3.440 . 0 0 "[ ]" 1
95 1 35 ILE HA 1 36 GLN H 5.500 . 5.500 3.530 3.530 3.530 . 0 0 "[ ]" 1
96 1 36 GLN H 1 36 GLN QG 4.000 . 4.000 3.950 3.950 3.950 . 0 0 "[ ]" 1
97 1 36 GLN H 1 36 GLN QB 3.400 . 3.400 2.237 2.237 2.237 . 0 0 "[ ]" 1
98 1 35 ILE HB 1 36 GLN H 3.500 . 3.500 2.698 2.698 2.698 . 0 0 "[ ]" 1
99 1 35 ILE MG 1 36 GLN H 3.800 . 3.800 3.658 3.658 3.658 . 0 0 "[ ]" 1
100 1 37 CYS H 1 38 ASN H 2.900 . 2.900 2.302 2.302 2.302 . 0 0 "[ ]" 1
101 1 36 GLN HA 1 37 CYS H 5.500 . 5.500 3.550 3.550 3.550 . 0 0 "[ ]" 1
102 1 37 CYS H 1 37 CYS QB . . 3.400 2.367 2.367 2.367 . 0 0 "[ ]" 1
103 1 36 GLN QB 1 37 CYS H 3.500 . 3.500 2.546 2.546 2.546 . 0 0 "[ ]" 1
104 1 37 CYS H 1 56 LEU MD2 5.800 . 5.800 5.154 5.154 5.154 . 0 0 "[ ]" 1
105 1 37 CYS HA 1 38 ASN H 5.500 . 5.500 3.366 3.366 3.366 . 0 0 "[ ]" 1
106 1 35 ILE HA 1 38 ASN H 5.500 . 5.500 2.970 2.970 2.970 . 0 0 "[ ]" 1
107 1 35 ILE MG 1 38 ASN H 5.800 . 5.800 4.049 4.049 4.049 . 0 0 "[ ]" 1
108 1 39 LEU H 1 40 VAL H 5.500 . 5.500 4.473 4.473 4.473 . 0 0 "[ ]" 1
109 1 38 ASN HA 1 39 LEU H 3.500 . 3.500 2.751 2.751 2.751 . 0 0 "[ ]" 1
110 1 35 ILE HA 1 39 LEU H 5.500 . 5.500 3.805 3.805 3.805 . 0 0 "[ ]" 1
111 1 41 THR H 1 41 THR MG 3.700 . 3.700 3.777 3.777 3.777 0.077 1 0 "[ ]" 1
112 1 40 VAL MG1 1 41 THR H 5.800 . 5.800 4.401 4.401 4.401 . 0 0 "[ ]" 1
113 1 42 GLU H 1 43 GLU H 5.500 . 5.500 2.632 2.632 2.632 . 0 0 "[ ]" 1
114 1 41 THR HB 1 42 GLU H 5.500 . 5.500 4.170 4.170 4.170 . 0 0 "[ ]" 1
115 1 41 THR MG 1 42 GLU H 3.800 . 3.800 2.624 2.624 2.624 . 0 0 "[ ]" 1
116 1 43 GLU H 1 44 GLU H 3.500 . 3.500 2.691 2.691 2.691 . 0 0 "[ ]" 1
117 1 42 GLU HA 1 43 GLU H 5.500 . 5.500 3.553 3.553 3.553 . 0 0 "[ ]" 1
118 1 43 GLU H 1 43 GLU QG 4.000 . 4.000 3.977 3.977 3.977 . 0 0 "[ ]" 1
119 1 43 GLU H 1 43 GLU QB 3.400 . 3.400 2.275 2.275 2.275 . 0 0 "[ ]" 1
120 1 42 GLU QG 1 43 GLU H 5.500 . 5.500 4.017 4.017 4.017 . 0 0 "[ ]" 1
121 1 44 GLU H 1 45 ILE H 3.500 . 3.500 2.727 2.727 2.727 . 0 0 "[ ]" 1
122 1 43 GLU HA 1 44 GLU H 5.500 . 5.500 3.537 3.537 3.537 . 0 0 "[ ]" 1
123 1 43 GLU QB 1 44 GLU H 3.500 . 3.500 2.627 2.627 2.627 . 0 0 "[ ]" 1
124 1 42 GLU QB 1 44 GLU H 5.500 . 5.500 4.684 4.684 4.684 . 0 0 "[ ]" 1
125 1 44 GLU HA 1 45 ILE H 5.500 . 5.500 3.528 3.528 3.528 . 0 0 "[ ]" 1
126 1 51 ASP H 1 51 ASP QB 3.400 . 3.400 2.417 2.417 2.417 . 0 0 "[ ]" 1
127 1 45 ILE H 1 45 ILE HB 3.400 . 3.400 2.600 2.600 2.600 . 0 0 "[ ]" 1
128 1 45 ILE H 1 46 LYS H 3.500 . 3.500 2.841 2.841 2.841 . 0 0 "[ ]" 1
129 1 44 GLU H 1 46 LYS H 5.500 . 5.500 4.546 4.546 4.546 . 0 0 "[ ]" 1
130 1 46 LYS H 1 47 TYR H 3.500 . 3.500 2.549 2.549 2.549 . 0 0 "[ ]" 1
131 1 43 GLU HA 1 46 LYS H 5.500 . 5.500 3.674 3.674 3.674 . 0 0 "[ ]" 1
132 1 45 ILE HA 1 46 LYS H 5.500 . 5.500 3.574 3.574 3.574 . 0 0 "[ ]" 1
133 1 45 ILE HB 1 46 LYS H 2.900 . 2.900 2.453 2.453 2.453 . 0 0 "[ ]" 1
134 1 46 LYS H 1 46 LYS QB 3.400 . 3.400 2.441 2.441 2.441 . 0 0 "[ ]" 1
135 1 45 ILE MG 1 46 LYS H 5.800 . 5.800 3.411 3.411 3.411 . 0 0 "[ ]" 1
136 1 47 TYR H 1 48 LEU H 2.900 . 2.900 2.677 2.677 2.677 . 0 0 "[ ]" 1
137 1 44 GLU HA 1 47 TYR H 5.500 . 5.500 2.842 2.842 2.842 . 0 0 "[ ]" 1
138 1 46 LYS HA 1 47 TYR H 5.500 . 5.500 3.506 3.506 3.506 . 0 0 "[ ]" 1
139 1 45 ILE HA 1 47 TYR H 5.500 . 5.500 4.220 4.220 4.220 . 0 0 "[ ]" 1
140 1 46 LYS QB 1 47 TYR H 5.500 . 5.500 2.661 2.661 2.661 . 0 0 "[ ]" 1
141 1 47 TYR H 1 48 LEU MD2 5.800 . 5.800 4.773 4.773 4.773 . 0 0 "[ ]" 1
142 1 46 LYS QG 1 47 TYR H 5.500 . 5.500 4.012 4.012 4.012 . 0 0 "[ ]" 1
143 1 48 LEU H 1 49 ASP H 5.500 . 5.500 4.565 4.565 4.565 . 0 0 "[ ]" 1
144 1 47 TYR HA 1 48 LEU H 5.500 . 5.500 3.445 3.445 3.445 . 0 0 "[ ]" 1
145 1 45 ILE HA 1 48 LEU H 5.500 . 5.500 3.556 3.556 3.556 . 0 0 "[ ]" 1
146 1 47 TYR QB 1 48 LEU H 5.500 . 5.500 3.101 3.101 3.101 . 0 0 "[ ]" 1
147 1 48 LEU H 1 48 LEU QB 3.400 . 3.400 2.504 2.504 2.504 . 0 0 "[ ]" 1
148 1 48 LEU H 1 48 LEU MD2 4.300 . 4.300 3.205 3.205 3.205 . 0 0 "[ ]" 1
149 1 48 LEU H 1 68 LEU MD2 5.800 . 5.800 4.027 4.027 4.027 . 0 0 "[ ]" 1
150 1 45 ILE MG 1 48 LEU H 5.800 . 5.800 4.381 4.381 4.381 . 0 0 "[ ]" 1
151 1 49 ASP H 1 52 ILE H 5.500 . 5.500 3.310 3.310 3.310 . 0 0 "[ ]" 1
152 1 48 LEU HA 1 49 ASP H 2.900 . 2.900 2.170 2.170 2.170 . 0 0 "[ ]" 1
153 1 48 LEU QB 1 49 ASP H 5.500 . 5.500 3.182 3.182 3.182 . 0 0 "[ ]" 1
154 1 48 LEU MD2 1 49 ASP H 5.800 . 5.800 3.597 3.597 3.597 . 0 0 "[ ]" 1
155 1 49 ASP H 1 68 LEU MD2 5.800 . 5.800 4.762 4.762 4.762 . 0 0 "[ ]" 1
156 1 50 LYS H 1 51 ASP H 5.500 . 5.500 2.815 2.815 2.815 . 0 0 "[ ]" 1
157 1 49 ASP HA 1 50 LYS H 3.500 . 3.500 2.446 2.446 2.446 . 0 0 "[ ]" 1
158 1 49 ASP QB 1 50 LYS H 3.500 . 3.500 2.554 2.554 2.554 . 0 0 "[ ]" 1
159 1 50 LYS H 1 68 LEU MD1 5.800 . 5.800 3.416 3.416 3.416 . 0 0 "[ ]" 1
160 1 50 LYS H 1 68 LEU MD2 5.800 . 5.800 4.297 4.297 4.297 . 0 0 "[ ]" 1
161 1 51 ASP H 1 52 ILE H 2.900 . 2.900 2.714 2.714 2.714 . 0 0 "[ ]" 1
162 1 50 LYS HA 1 51 ASP H 5.500 . 5.500 3.568 3.568 3.568 . 0 0 "[ ]" 1
163 1 49 ASP QB 1 51 ASP H 5.500 . 5.500 2.762 2.762 2.762 . 0 0 "[ ]" 1
164 1 50 LYS QB 1 51 ASP H 5.500 . 5.500 2.540 2.540 2.540 . 0 0 "[ ]" 1
165 1 44 GLU QB 1 45 ILE H 5.500 . 5.500 2.850 2.850 2.850 . 0 0 "[ ]" 1
166 1 52 ILE H 1 53 LEU H 5.500 . 5.500 2.687 2.687 2.687 . 0 0 "[ ]" 1
167 1 51 ASP HA 1 52 ILE H 5.500 . 5.500 3.575 3.575 3.575 . 0 0 "[ ]" 1
168 1 51 ASP QB 1 52 ILE H 5.500 . 5.500 2.516 2.516 2.516 . 0 0 "[ ]" 1
169 1 52 ILE H 1 52 ILE HB 3.400 . 3.400 2.508 2.508 2.508 . 0 0 "[ ]" 1
170 1 52 ILE H 1 52 ILE MD 3.700 . 3.700 3.564 3.564 3.564 . 0 0 "[ ]" 1
171 1 52 ILE HA 1 53 LEU H 5.500 . 5.500 3.543 3.543 3.543 . 0 0 "[ ]" 1
172 1 53 LEU H 1 53 LEU QB 3.400 . 3.400 2.463 2.463 2.463 . 0 0 "[ ]" 1
173 1 52 ILE HB 1 53 LEU H 3.500 . 3.500 2.704 2.704 2.704 . 0 0 "[ ]" 1
174 1 52 ILE MG 1 53 LEU H 3.200 . 3.200 3.447 3.447 3.447 0.247 1 0 "[ ]" 1
175 1 52 ILE HA 1 55 ALA H 5.500 . 5.500 3.213 3.213 3.213 . 0 0 "[ ]" 1
176 1 54 ILE HA 1 55 ALA H 5.500 . 5.500 3.560 3.560 3.560 . 0 0 "[ ]" 1
177 1 54 ILE HB 1 55 ALA H 3.500 . 3.500 2.414 2.414 2.414 . 0 0 "[ ]" 1
178 1 55 ALA H 1 55 ALA MB 3.400 . 3.400 2.213 2.213 2.213 . 0 0 "[ ]" 1
179 1 56 LEU MD2 1 57 GLY H 5.800 . 5.800 4.437 4.437 4.437 . 0 0 "[ ]" 1
180 1 57 GLY H 1 58 VAL H 2.900 . 2.900 2.151 2.151 2.151 . 0 0 "[ ]" 1
181 1 56 LEU HA 1 57 GLY H 5.500 . 5.500 3.533 3.533 3.533 . 0 0 "[ ]" 1
182 1 54 ILE HA 1 57 GLY H 5.500 . 5.500 3.635 3.635 3.635 . 0 0 "[ ]" 1
183 1 56 LEU QB 1 57 GLY H 5.500 . 5.500 2.667 2.667 2.667 . 0 0 "[ ]" 1
184 1 58 VAL H 1 58 VAL MG2 3.700 . 3.700 2.522 2.522 2.522 . 0 0 "[ ]" 1
185 1 58 VAL H 1 58 VAL HB 4.000 . 4.000 2.580 2.580 2.580 . 0 0 "[ ]" 1
186 1 57 GLY QA 1 58 VAL H 5.500 . 5.500 2.680 2.680 2.680 . 0 0 "[ ]" 1
187 1 59 ASN H 1 60 LYS H 3.500 . 3.500 2.376 2.376 2.376 . 0 0 "[ ]" 1
188 1 30 TYR QE 1 59 ASN H 5.500 . 5.500 1.888 1.888 1.888 . 0 0 "[ ]" 1
189 1 58 VAL HA 1 59 ASN H 2.900 . 2.900 2.236 2.236 2.236 . 0 0 "[ ]" 1
190 1 58 VAL HB 1 59 ASN H 5.500 . 5.500 4.195 4.195 4.195 . 0 0 "[ ]" 1
191 1 58 VAL MG1 1 59 ASN H 5.800 . 5.800 2.551 2.551 2.551 . 0 0 "[ ]" 1
192 1 58 VAL MG2 1 59 ASN H 5.800 . 5.800 4.119 4.119 4.119 . 0 0 "[ ]" 1
193 1 59 ASN HA 1 60 LYS H 5.500 . 5.500 3.351 3.351 3.351 . 0 0 "[ ]" 1
194 1 58 VAL HA 1 60 LYS H 5.500 . 5.500 3.736 3.736 3.736 . 0 0 "[ ]" 1
195 1 59 ASN QB 1 60 LYS H 5.500 . 5.500 3.363 3.363 3.363 . 0 0 "[ ]" 1
196 1 60 LYS H 1 60 LYS QB 3.400 . 3.400 2.557 2.557 2.557 . 0 0 "[ ]" 1
197 1 58 VAL MG1 1 60 LYS H 5.800 . 5.800 1.741 1.741 1.741 0.059 1 0 "[ ]" 1
198 1 62 GLY H 1 63 ASP H 5.500 . 5.500 2.731 2.731 2.731 . 0 0 "[ ]" 1
199 1 63 ASP H 1 64 ARG H 3.500 . 3.500 2.682 2.682 2.682 . 0 0 "[ ]" 1
200 1 62 GLY QA 1 63 ASP H 5.500 . 5.500 2.710 2.710 2.710 . 0 0 "[ ]" 1
201 1 63 ASP QB 1 64 ARG H 5.500 . 5.500 2.692 2.692 2.692 . 0 0 "[ ]" 1
202 1 63 ASP HA 1 64 ARG H 5.500 . 5.500 3.536 3.536 3.536 . 0 0 "[ ]" 1
203 1 64 ARG H 1 65 LEU H 5.500 . 5.500 2.771 2.771 2.771 . 0 0 "[ ]" 1
204 1 65 LEU H 1 66 LYS H 3.500 . 3.500 2.601 2.601 2.601 . 0 0 "[ ]" 1
205 1 64 ARG HA 1 65 LEU H 5.500 . 5.500 3.555 3.555 3.555 . 0 0 "[ ]" 1
206 1 64 ARG QG 1 65 LEU H 5.500 . 5.500 3.965 3.965 3.965 . 0 0 "[ ]" 1
207 1 65 LEU H 1 65 LEU QB 3.400 . 3.400 2.520 2.520 2.520 . 0 0 "[ ]" 1
208 1 65 LEU H 1 65 LEU HG 4.000 . 4.000 2.027 2.027 2.027 . 0 0 "[ ]" 1
209 1 65 LEU H 1 65 LEU MD1 4.300 . 4.300 3.608 3.608 3.608 . 0 0 "[ ]" 1
210 1 66 LYS H 1 67 ILE H 5.500 . 5.500 2.767 2.767 2.767 . 0 0 "[ ]" 1
211 1 63 ASP HA 1 66 LYS H 5.500 . 5.500 3.071 3.071 3.071 . 0 0 "[ ]" 1
212 1 64 ARG HA 1 66 LYS H 5.500 . 5.500 4.338 4.338 4.338 . 0 0 "[ ]" 1
213 1 66 LYS H 1 66 LYS QB 3.400 . 3.400 2.451 2.451 2.451 . 0 0 "[ ]" 1
214 1 66 LYS H 1 66 LYS QG 4.000 . 4.000 2.119 2.119 2.119 . 0 0 "[ ]" 1
215 1 65 LEU MD1 1 66 LYS H 5.800 . 5.800 4.534 4.534 4.534 . 0 0 "[ ]" 1
216 1 67 ILE H 1 68 LEU H 5.500 . 5.500 2.797 2.797 2.797 . 0 0 "[ ]" 1
217 1 65 LEU H 1 67 ILE H 5.500 . 5.500 4.247 4.247 4.247 . 0 0 "[ ]" 1
218 1 66 LYS HA 1 67 ILE H 5.500 . 5.500 3.578 3.578 3.578 . 0 0 "[ ]" 1
219 1 64 ARG HA 1 67 ILE H 5.500 . 5.500 3.454 3.454 3.454 . 0 0 "[ ]" 1
220 1 67 ILE H 1 67 ILE HB 3.400 . 3.400 2.568 2.568 2.568 . 0 0 "[ ]" 1
221 1 67 ILE H 1 67 ILE MD 4.300 . 4.300 3.544 3.544 3.544 . 0 0 "[ ]" 1
222 1 25 ILE MD 1 67 ILE H 5.800 . 5.800 3.730 3.730 3.730 . 0 0 "[ ]" 1
223 1 68 LEU H 1 69 ARG H . . 3.500 2.754 2.754 2.754 . 0 0 "[ ]" 1
224 1 68 LEU H 1 68 LEU QB 3.400 . 3.400 2.491 2.491 2.491 . 0 0 "[ ]" 1
225 1 67 ILE MG 1 68 LEU H 5.800 . 5.800 3.445 3.445 3.445 . 0 0 "[ ]" 1
226 1 69 ARG H 1 70 LYS H 3.500 . 3.500 2.726 2.726 2.726 . 0 0 "[ ]" 1
227 1 69 ARG H 1 69 ARG HB3 3.400 . 3.400 3.606 3.606 3.606 0.206 1 0 "[ ]" 1
228 1 68 LEU QB 1 69 ARG H 5.500 . 5.500 2.487 2.487 2.487 . 0 0 "[ ]" 1
229 1 68 LEU MD2 1 69 ARG H 5.800 . 5.800 4.581 4.581 4.581 . 0 0 "[ ]" 1
230 1 70 LYS H 1 71 SER H . . 3.500 2.699 2.699 2.699 . 0 0 "[ ]" 1
231 1 21 PHE QE 1 71 SER H 5.500 . 5.500 3.566 3.566 3.566 . 0 0 "[ ]" 1
232 1 21 PHE QD 1 71 SER H 5.500 . 5.500 4.155 4.155 4.155 . 0 0 "[ ]" 1
233 1 70 LYS QB 1 71 SER H 5.500 . 5.500 2.670 2.670 2.670 . 0 0 "[ ]" 1
234 1 74 PHE H 1 75 GLN H 5.500 . 5.500 2.793 2.793 2.793 . 0 0 "[ ]" 1
235 1 73 SER HA 1 74 PHE H 5.500 . 5.500 3.481 3.481 3.481 . 0 0 "[ ]" 1
236 1 72 LYS HA 1 73 SER H 5.500 . 5.500 3.530 3.530 3.530 . 0 0 "[ ]" 1
237 1 72 LYS QG 1 73 SER H 5.500 . 5.500 4.105 4.105 4.105 . 0 0 "[ ]" 1
238 1 72 LYS QB 1 73 SER H 5.500 . 5.500 2.714 2.714 2.714 . 0 0 "[ ]" 1
239 1 74 PHE HA 1 75 GLN H 3.500 . 3.500 3.548 3.548 3.548 0.048 1 0 "[ ]" 1
240 1 67 ILE MG 1 71 SER H 5.800 . 5.800 3.940 3.940 3.940 . 0 0 "[ ]" 1
241 1 68 LEU MD2 1 71 SER H 5.800 . 5.800 5.021 5.021 5.021 . 0 0 "[ ]" 1
242 1 69 ARG H 1 71 SER H 5.500 . 5.500 4.066 4.066 4.066 . 0 0 "[ ]" 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 212
_Distance_constraint_stats_list.Viol_count 20
_Distance_constraint_stats_list.Viol_total 3.122
_Distance_constraint_stats_list.Viol_max 0.449
_Distance_constraint_stats_list.Viol_rms 0.0525
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0147
_Distance_constraint_stats_list.Viol_average_violations_only 0.1561
_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 16 PRO 0.091 0.091 1 0 "[ ]"
1 17 PHE 0.331 0.180 1 0 "[ ]"
1 18 VAL 0.091 0.091 1 0 "[ ]"
1 19 GLN 0.000 0.000 . 0 "[ ]"
1 20 LEU 0.151 0.151 1 0 "[ ]"
1 21 PHE 0.356 0.180 1 0 "[ ]"
1 22 LEU 0.069 0.069 1 0 "[ ]"
1 23 GLU 0.000 0.000 . 0 "[ ]"
1 25 ILE 0.069 0.069 1 0 "[ ]"
1 27 CYS 0.000 0.000 . 0 "[ ]"
1 28 THR 0.000 0.000 . 0 "[ ]"
1 29 GLN 0.000 0.000 . 0 "[ ]"
1 30 TYR 0.208 0.208 1 0 "[ ]"
1 31 LEU 0.000 0.000 . 0 "[ ]"
1 32 ASP 0.160 0.160 1 0 "[ ]"
1 33 SER 0.000 0.000 . 0 "[ ]"
1 34 PHE 0.245 0.127 1 0 "[ ]"
1 35 ILE 0.000 0.000 . 0 "[ ]"
1 36 GLN 0.160 0.160 1 0 "[ ]"
1 37 CYS 0.000 0.000 . 0 "[ ]"
1 38 ASN 0.000 0.000 . 0 "[ ]"
1 39 LEU 0.372 0.134 1 0 "[ ]"
1 40 VAL 0.000 0.000 . 0 "[ ]"
1 41 THR 0.000 0.000 . 0 "[ ]"
1 42 GLU 0.000 0.000 . 0 "[ ]"
1 43 GLU 0.000 0.000 . 0 "[ ]"
1 44 GLU 0.025 0.025 1 0 "[ ]"
1 45 ILE 0.391 0.251 1 0 "[ ]"
1 46 LYS 0.185 0.185 1 0 "[ ]"
1 47 TYR 0.449 0.449 1 0 "[ ]"
1 48 LEU 0.407 0.185 1 0 "[ ]"
1 49 ASP 0.141 0.141 1 0 "[ ]"
1 50 LYS 0.000 0.000 . 0 "[ ]"
1 51 ASP 0.000 0.000 . 0 "[ ]"
1 53 LEU 0.000 0.000 . 0 "[ ]"
1 54 ILE 0.000 0.000 . 0 "[ ]"
1 55 ALA 0.000 0.000 . 0 "[ ]"
1 56 LEU 0.110 0.110 1 0 "[ ]"
1 57 GLY 0.000 0.000 . 0 "[ ]"
1 58 VAL 0.393 0.208 1 0 "[ ]"
1 60 LYS 0.000 0.000 . 0 "[ ]"
1 61 ILE 0.000 0.000 . 0 "[ ]"
1 62 GLY 0.000 0.000 . 0 "[ ]"
1 63 ASP 0.000 0.000 . 0 "[ ]"
1 64 ARG 0.000 0.000 . 0 "[ ]"
1 65 LEU 0.000 0.000 . 0 "[ ]"
1 66 LYS 0.069 0.069 1 0 "[ ]"
1 67 ILE 0.268 0.141 1 0 "[ ]"
1 68 LEU 0.141 0.141 1 0 "[ ]"
1 69 ARG 0.000 0.000 . 0 "[ ]"
1 70 LYS 0.000 0.000 . 0 "[ ]"
1 71 SER 0.302 0.175 1 0 "[ ]"
1 72 LYS 0.000 0.000 . 0 "[ ]"
1 74 PHE 0.251 0.251 1 0 "[ ]"
1 75 GLN 0.000 0.000 . 0 "[ ]"
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 PHE QD 1 18 VAL HA 5.500 . 5.500 2.198 2.198 2.198 . 0 0 "[ ]" 2
2 1 18 VAL HA 1 21 PHE QB 5.500 . 5.500 4.096 4.096 4.096 . 0 0 "[ ]" 2
3 1 18 VAL HA 1 18 VAL MG2 . . 3.700 2.301 2.301 2.301 . 0 0 "[ ]" 2
4 1 18 VAL HA 1 45 ILE MD 5.800 . 5.800 2.381 2.381 2.381 . 0 0 "[ ]" 2
5 1 19 GLN HA 1 22 LEU H 5.500 . 5.500 3.854 3.854 3.854 . 0 0 "[ ]" 2
6 1 23 GLU HA 1 28 THR MG 3.200 . 3.200 3.122 3.122 3.122 . 0 0 "[ ]" 2
7 1 19 GLN HA 1 31 LEU MD1 3.800 . 3.800 2.238 2.238 2.238 . 0 0 "[ ]" 2
8 1 20 LEU HA 1 23 GLU H 5.500 . 5.500 3.600 3.600 3.600 . 0 0 "[ ]" 2
9 1 20 LEU HA 1 21 PHE H 5.500 . 5.500 3.603 3.603 3.603 . 0 0 "[ ]" 2
10 1 25 ILE HA 1 25 ILE MG 3.700 . 3.700 2.274 2.274 2.274 . 0 0 "[ ]" 2
11 1 27 CYS HA 1 30 TYR QD 5.500 . 5.500 4.860 4.860 4.860 . 0 0 "[ ]" 2
12 1 27 CYS HA 1 30 TYR QE 5.500 . 5.500 5.169 5.169 5.169 . 0 0 "[ ]" 2
13 1 28 THR HA 1 28 THR MG . . 3.700 2.328 2.328 2.328 . 0 0 "[ ]" 2
14 1 35 ILE HA 1 35 ILE MG 3.700 . 3.700 2.325 2.325 2.325 . 0 0 "[ ]" 2
15 1 72 LYS HA 1 72 LYS QG 3.400 . 3.400 2.328 2.328 2.328 . 0 0 "[ ]" 2
16 1 29 GLN HA 1 29 GLN QG 3.400 . 3.400 2.359 2.359 2.359 . 0 0 "[ ]" 2
17 1 30 TYR HA 1 30 TYR QD 4.000 . 4.000 2.282 2.282 2.282 . 0 0 "[ ]" 2
18 1 32 ASP HA 1 33 SER H 5.500 . 5.500 3.539 3.539 3.539 . 0 0 "[ ]" 2
19 1 51 ASP HA 1 55 ALA H 5.500 . 5.500 4.735 4.735 4.735 . 0 0 "[ ]" 2
20 1 32 ASP HA 1 35 ILE MD 5.800 . 5.800 4.090 4.090 4.090 . 0 0 "[ ]" 2
21 1 34 PHE HA 1 35 ILE H 5.500 . 5.500 3.551 3.551 3.551 . 0 0 "[ ]" 2
22 1 34 PHE HA 1 37 CYS QB 5.500 . 5.500 3.230 3.230 3.230 . 0 0 "[ ]" 2
23 1 34 PHE HA 1 56 LEU MD2 3.800 . 3.800 2.781 2.781 2.781 . 0 0 "[ ]" 2
24 1 36 GLN HA 1 36 GLN QG . . 3.400 2.340 2.340 2.340 . 0 0 "[ ]" 2
25 1 39 LEU HA 1 39 LEU MD2 3.700 . 3.700 3.834 3.834 3.834 0.134 1 0 "[ ]" 2
26 1 39 LEU HA 1 40 VAL H 2.900 . 2.900 2.201 2.201 2.201 . 0 0 "[ ]" 2
27 1 42 GLU HA 1 45 ILE H 5.500 . 5.500 3.548 3.548 3.548 . 0 0 "[ ]" 2
28 1 42 GLU HA 1 45 ILE HB 5.500 . 5.500 3.929 3.929 3.929 . 0 0 "[ ]" 2
29 1 42 GLU HA 1 45 ILE MG 5.800 . 5.800 4.697 4.697 4.697 . 0 0 "[ ]" 2
30 1 45 ILE HA 1 48 LEU MD1 5.800 . 5.800 2.163 2.163 2.163 . 0 0 "[ ]" 2
31 1 45 ILE HA 1 48 LEU MD2 5.800 . 5.800 3.672 3.672 3.672 . 0 0 "[ ]" 2
32 1 39 LEU MD2 1 45 ILE HA 5.800 . 5.800 2.702 2.702 2.702 . 0 0 "[ ]" 2
33 1 45 ILE HA 1 45 ILE MD . . 4.300 3.826 3.826 3.826 . 0 0 "[ ]" 2
34 1 48 LEU HA 1 48 LEU MD2 3.700 . 3.700 2.103 2.103 2.103 . 0 0 "[ ]" 2
35 1 49 ASP HA 1 68 LEU MD2 . . 3.200 3.341 3.341 3.341 0.141 1 0 "[ ]" 2
36 1 56 LEU HA 1 56 LEU MD2 3.700 . 3.700 3.810 3.810 3.810 0.110 1 0 "[ ]" 2
37 1 30 TYR QE 1 58 VAL HA . . 3.500 2.266 2.266 2.266 . 0 0 "[ ]" 2
38 1 58 VAL HA 1 58 VAL MG1 . . 3.700 2.433 2.433 2.433 . 0 0 "[ ]" 2
39 1 66 LYS HA 1 69 ARG H 5.500 . 5.500 3.544 3.544 3.544 . 0 0 "[ ]" 2
40 1 66 LYS HA 1 66 LYS QG 4.000 . 4.000 2.338 2.338 2.338 . 0 0 "[ ]" 2
41 1 62 GLY QA 1 65 LEU MD1 5.800 . 5.800 2.893 2.893 2.893 . 0 0 "[ ]" 2
42 1 62 GLY QA 1 65 LEU QB 5.500 . 5.500 3.403 3.403 3.403 . 0 0 "[ ]" 2
43 1 63 ASP HA 1 66 LYS QB 3.500 . 3.500 2.527 2.527 2.527 . 0 0 "[ ]" 2
44 1 30 TYR QE 1 63 ASP HA 5.500 . 5.500 5.317 5.317 5.317 . 0 0 "[ ]" 2
45 1 70 LYS HA 1 71 SER H 5.500 . 5.500 3.551 3.551 3.551 . 0 0 "[ ]" 2
46 1 68 LEU HA 1 68 LEU MD2 3.700 . 3.700 2.056 2.056 2.056 . 0 0 "[ ]" 2
47 1 69 ARG HA 1 70 LYS H 5.500 . 5.500 3.574 3.574 3.574 . 0 0 "[ ]" 2
48 1 69 ARG HA 1 69 ARG QG . . 3.400 2.321 2.321 2.321 . 0 0 "[ ]" 2
49 1 72 LYS HA 1 74 PHE H 5.500 . 5.500 3.743 3.743 3.743 . 0 0 "[ ]" 2
50 1 74 PHE HA 1 74 PHE QD . . 3.400 2.825 2.825 2.825 . 0 0 "[ ]" 2
51 1 69 ARG HB3 1 70 LYS H 5.500 . 5.500 3.483 3.483 3.483 . 0 0 "[ ]" 2
52 1 16 PRO HB2 1 19 GLN H 5.500 . 5.500 3.340 3.340 3.340 . 0 0 "[ ]" 2
53 1 16 PRO HB2 1 18 VAL MG1 5.800 . 5.800 4.592 4.592 4.592 . 0 0 "[ ]" 2
54 1 16 PRO QG 1 18 VAL MG1 5.800 . 5.800 4.076 4.076 4.076 . 0 0 "[ ]" 2
55 1 18 VAL HB 1 45 ILE MD 5.800 . 5.800 4.219 4.219 4.219 . 0 0 "[ ]" 2
56 1 18 VAL MG1 1 19 GLN HA 5.800 . 5.800 3.363 3.363 3.363 . 0 0 "[ ]" 2
57 1 16 PRO HB3 1 18 VAL MG1 5.800 . 5.800 5.891 5.891 5.891 0.091 1 0 "[ ]" 2
58 1 18 VAL MG1 1 45 ILE MD 5.800 . 5.800 3.069 3.069 3.069 . 0 0 "[ ]" 2
59 1 18 VAL MG2 1 34 PHE QD 3.800 . 3.800 3.778 3.778 3.778 . 0 0 "[ ]" 2
60 1 18 VAL MG2 1 34 PHE QE 5.800 . 5.800 4.075 4.075 4.075 . 0 0 "[ ]" 2
61 1 22 LEU MD1 1 30 TYR QD 5.800 . 5.800 3.956 3.956 3.956 . 0 0 "[ ]" 2
62 1 21 PHE QD 1 22 LEU MD1 3.200 . 3.200 2.192 2.192 2.192 . 0 0 "[ ]" 2
63 1 22 LEU HA 1 22 LEU MD1 3.700 . 3.700 3.461 3.461 3.461 . 0 0 "[ ]" 2
64 1 22 LEU MD1 1 67 ILE MD 3.200 . 3.200 3.036 3.036 3.036 . 0 0 "[ ]" 2
65 1 25 ILE MG 1 30 TYR QE 5.800 . 5.800 2.648 2.648 2.648 . 0 0 "[ ]" 2
66 1 22 LEU QB 1 25 ILE MG 3.200 . 3.200 3.269 3.269 3.269 0.069 1 0 "[ ]" 2
67 1 25 ILE MG 1 60 LYS QB 5.800 . 5.800 4.688 4.688 4.688 . 0 0 "[ ]" 2
68 1 25 ILE MD 1 25 ILE MG 3.700 . 3.700 2.039 2.039 2.039 . 0 0 "[ ]" 2
69 1 21 PHE QD 1 25 ILE MD 5.800 . 5.800 3.577 3.577 3.577 . 0 0 "[ ]" 2
70 1 22 LEU QB 1 25 ILE MD 5.800 . 5.800 2.947 2.947 2.947 . 0 0 "[ ]" 2
71 1 25 ILE MD 1 67 ILE MG 5.800 . 5.800 3.705 3.705 3.705 . 0 0 "[ ]" 2
72 1 25 ILE MD 1 27 CYS QB 5.800 . 5.800 4.185 4.185 4.185 . 0 0 "[ ]" 2
73 1 27 CYS QB 1 30 TYR QD 5.500 . 5.500 2.252 2.252 2.252 . 0 0 "[ ]" 2
74 1 23 GLU QG 1 28 THR MG 3.200 . 3.200 2.750 2.750 2.750 . 0 0 "[ ]" 2
75 1 34 PHE QE 1 48 LEU MD1 3.200 . 3.200 2.146 2.146 2.146 . 0 0 "[ ]" 2
76 1 22 LEU MD1 1 30 TYR QB 5.800 . 5.800 2.063 2.063 2.063 . 0 0 "[ ]" 2
77 1 22 LEU MD1 1 31 LEU QB 5.800 . 5.800 3.346 3.346 3.346 . 0 0 "[ ]" 2
78 1 31 LEU QB 1 32 ASP QB 5.500 . 5.500 4.417 4.417 4.417 . 0 0 "[ ]" 2
79 1 32 ASP QB 1 36 GLN QE 5.500 . 5.500 5.660 5.660 5.660 0.160 1 0 "[ ]" 2
80 1 54 ILE MG 1 55 ALA H 5.800 . 5.800 3.419 3.419 3.419 . 0 0 "[ ]" 2
81 1 35 ILE MD 1 36 GLN H 5.800 . 5.800 4.423 4.423 4.423 . 0 0 "[ ]" 2
82 1 33 SER HA 1 36 GLN QB 2.900 . 2.900 2.811 2.811 2.811 . 0 0 "[ ]" 2
83 1 36 GLN QG 1 37 CYS H 5.500 . 5.500 3.824 3.824 3.824 . 0 0 "[ ]" 2
84 1 33 SER HA 1 36 GLN QG 5.500 . 5.500 4.824 4.824 4.824 . 0 0 "[ ]" 2
85 1 37 CYS QB 1 56 LEU MD2 5.800 . 5.800 4.266 4.266 4.266 . 0 0 "[ ]" 2
86 1 37 CYS QB 1 39 LEU MD1 5.800 . 5.800 3.835 3.835 3.835 . 0 0 "[ ]" 2
87 1 37 CYS QB 1 39 LEU QB 5.500 . 5.500 2.837 2.837 2.837 . 0 0 "[ ]" 2
88 1 37 CYS QB 1 38 ASN H 5.500 . 5.500 3.210 3.210 3.210 . 0 0 "[ ]" 2
89 1 34 PHE QD 1 39 LEU MD1 5.800 . 5.800 4.710 4.710 4.710 . 0 0 "[ ]" 2
90 1 34 PHE QE 1 39 LEU MD1 5.800 . 5.800 4.933 4.933 4.933 . 0 0 "[ ]" 2
91 1 34 PHE HA 1 39 LEU MD1 5.800 . 5.800 5.917 5.917 5.917 0.117 1 0 "[ ]" 2
92 1 39 LEU MD1 1 56 LEU MD2 5.800 . 5.800 5.585 5.585 5.585 . 0 0 "[ ]" 2
93 1 39 LEU MD1 1 56 LEU MD1 5.800 . 5.800 4.532 4.532 4.532 . 0 0 "[ ]" 2
94 1 34 PHE QE 1 39 LEU MD2 5.800 . 5.800 2.443 2.443 2.443 . 0 0 "[ ]" 2
95 1 40 VAL HB 1 41 THR H 5.500 . 5.500 3.520 3.520 3.520 . 0 0 "[ ]" 2
96 1 43 GLU QG 1 44 GLU H 5.500 . 5.500 3.741 3.741 3.741 . 0 0 "[ ]" 2
97 1 43 GLU HA 1 43 GLU QG 3.400 . 3.400 2.363 2.363 2.363 . 0 0 "[ ]" 2
98 1 17 PHE QD 1 45 ILE MD 3.200 . 3.200 2.539 2.539 2.539 . 0 0 "[ ]" 2
99 1 45 ILE MD 1 67 ILE MD 5.800 . 5.800 5.941 5.941 5.941 0.141 1 0 "[ ]" 2
100 1 46 LYS QB 1 46 LYS QE . . 3.400 3.585 3.585 3.585 0.185 1 0 "[ ]" 2
101 1 17 PHE QD 1 20 LEU MD1 5.800 . 5.800 5.480 5.480 5.480 . 0 0 "[ ]" 2
102 1 50 LYS HA 1 53 LEU QB 5.500 . 5.500 2.791 2.791 2.791 . 0 0 "[ ]" 2
103 1 67 ILE HB 1 68 LEU H 5.500 . 5.500 2.497 2.497 2.497 . 0 0 "[ ]" 2
104 1 54 ILE H 1 54 ILE HB 4.000 . 4.000 2.564 2.564 2.564 . 0 0 "[ ]" 2
105 1 51 ASP HA 1 54 ILE HB 5.500 . 5.500 3.326 3.326 3.326 . 0 0 "[ ]" 2
106 1 64 ARG HA 1 67 ILE HB 5.500 . 5.500 3.178 3.178 3.178 . 0 0 "[ ]" 2
107 1 34 PHE QE 1 56 LEU MD1 5.800 . 5.800 3.924 3.924 3.924 . 0 0 "[ ]" 2
108 1 30 TYR QD 1 58 VAL MG1 5.800 . 5.800 2.653 2.653 2.653 . 0 0 "[ ]" 2
109 1 30 TYR QE 1 58 VAL MG1 5.800 . 5.800 2.077 2.077 2.077 . 0 0 "[ ]" 2
110 1 58 VAL MG1 1 63 ASP QB 5.800 . 5.800 2.589 2.589 2.589 . 0 0 "[ ]" 2
111 1 30 TYR QD 1 58 VAL MG2 5.800 . 5.800 2.228 2.228 2.228 . 0 0 "[ ]" 2
112 1 30 TYR QE 1 58 VAL MG2 3.200 . 3.200 3.408 3.408 3.408 0.208 1 0 "[ ]" 2
113 1 45 ILE MG 1 67 ILE MG 3.200 . 3.200 2.382 2.382 2.382 . 0 0 "[ ]" 2
114 1 65 LEU QB 1 66 LYS H 5.500 . 5.500 2.558 2.558 2.558 . 0 0 "[ ]" 2
115 1 66 LYS QB 1 67 ILE H 5.500 . 5.500 2.511 2.511 2.511 . 0 0 "[ ]" 2
116 1 54 ILE HB 1 55 ALA HA 5.500 . 5.500 4.298 4.298 4.298 . 0 0 "[ ]" 2
117 1 30 TYR QD 1 67 ILE MD 5.800 . 5.800 4.178 4.178 4.178 . 0 0 "[ ]" 2
118 1 34 PHE QE 1 67 ILE MD 5.800 . 5.800 2.230 2.230 2.230 . 0 0 "[ ]" 2
119 1 64 ARG HA 1 67 ILE MD . . 3.800 2.680 2.680 2.680 . 0 0 "[ ]" 2
120 1 22 LEU MD1 1 67 ILE MD 3.200 . 3.200 2.754 2.754 2.754 . 0 0 "[ ]" 2
121 1 45 ILE MG 1 67 ILE MD 5.800 . 5.800 4.315 4.315 4.315 . 0 0 "[ ]" 2
122 1 48 LEU QB 1 53 LEU MD1 3.800 . 3.800 3.358 3.358 3.358 . 0 0 "[ ]" 2
123 1 48 LEU QB 1 68 LEU MD2 5.800 . 5.800 2.935 2.935 2.935 . 0 0 "[ ]" 2
124 1 34 PHE QD 1 45 ILE MD 5.800 . 5.800 4.663 4.663 4.663 . 0 0 "[ ]" 2
125 1 53 LEU MD2 1 58 VAL MG2 5.800 . 5.800 2.635 2.635 2.635 . 0 0 "[ ]" 2
126 1 34 PHE QE 1 53 LEU MD2 5.800 . 5.800 3.586 3.586 3.586 . 0 0 "[ ]" 2
127 1 39 LEU MD2 1 44 GLU QG 3.800 . 3.800 3.825 3.825 3.825 0.025 1 0 "[ ]" 2
128 1 45 ILE MG 1 48 LEU MD1 3.800 . 3.800 2.598 2.598 2.598 . 0 0 "[ ]" 2
129 1 61 ILE MG 1 62 GLY QA 3.200 . 3.200 2.852 2.852 2.852 . 0 0 "[ ]" 2
130 1 17 PHE HA 1 17 PHE QD . . 4.000 2.685 2.685 2.685 . 0 0 "[ ]" 2
131 1 17 PHE HA 1 20 LEU MD1 5.800 . 5.800 4.889 4.889 4.889 . 0 0 "[ ]" 2
132 1 45 ILE MG 1 71 SER HB3 5.800 . 5.800 2.764 2.764 2.764 . 0 0 "[ ]" 2
133 1 53 LEU MD1 1 64 ARG HA 5.800 . 5.800 2.183 2.183 2.183 . 0 0 "[ ]" 2
134 1 39 LEU MD2 1 40 VAL H 5.800 . 5.800 4.388 4.388 4.388 . 0 0 "[ ]" 2
135 1 39 LEU MD2 1 44 GLU HA 5.800 . 5.800 4.146 4.146 4.146 . 0 0 "[ ]" 2
136 1 39 LEU MD2 1 56 LEU MD1 5.800 . 5.800 3.547 3.547 3.547 . 0 0 "[ ]" 2
137 1 21 PHE QD 1 71 SER HB3 5.500 . 5.500 5.675 5.675 5.675 0.175 1 0 "[ ]" 2
138 1 21 PHE QE 1 48 LEU MD1 5.800 . 5.800 4.871 4.871 4.871 . 0 0 "[ ]" 2
139 1 34 PHE QD 1 48 LEU MD1 5.800 . 5.800 3.570 3.570 3.570 . 0 0 "[ ]" 2
140 1 48 LEU MD1 1 71 SER HB3 5.800 . 5.800 5.927 5.927 5.927 0.127 1 0 "[ ]" 2
141 1 48 LEU HA 1 48 LEU MD1 4.300 . 4.300 3.817 3.817 3.817 . 0 0 "[ ]" 2
142 1 34 PHE QD 1 53 LEU MD2 5.800 . 5.800 4.909 4.909 4.909 . 0 0 "[ ]" 2
143 1 39 LEU MD1 1 45 ILE MG 5.800 . 5.800 5.765 5.765 5.765 . 0 0 "[ ]" 2
144 1 64 ARG QB 1 65 LEU H 5.500 . 5.500 2.483 2.483 2.483 . 0 0 "[ ]" 2
145 1 45 ILE MD 1 45 ILE MG 3.700 . 3.700 2.069 2.069 2.069 . 0 0 "[ ]" 2
146 1 45 ILE MD 1 71 SER HB3 5.800 . 5.800 4.024 4.024 4.024 . 0 0 "[ ]" 2
147 1 42 GLU HA 1 45 ILE MD 5.800 . 5.800 2.209 2.209 2.209 . 0 0 "[ ]" 2
148 1 39 LEU MD2 1 48 LEU MD1 . . 3.200 2.148 2.148 2.148 . 0 0 "[ ]" 2
149 1 39 LEU MD1 1 48 LEU MD1 3.800 . 3.800 3.895 3.895 3.895 0.095 1 0 "[ ]" 2
150 1 18 VAL MG2 1 19 GLN H 5.800 . 5.800 3.912 3.912 3.912 . 0 0 "[ ]" 2
151 1 18 VAL MG2 1 45 ILE MD 3.200 . 3.200 1.993 1.993 1.993 . 0 0 "[ ]" 2
152 1 18 VAL MG2 1 39 LEU QB 3.200 . 3.200 2.552 2.552 2.552 . 0 0 "[ ]" 2
153 1 40 VAL HA 1 40 VAL MG1 3.700 . 3.700 2.121 2.121 2.121 . 0 0 "[ ]" 2
154 1 49 ASP QB 1 68 LEU MD2 5.800 . 5.800 5.033 5.033 5.033 . 0 0 "[ ]" 2
155 1 53 LEU QB 1 56 LEU MD1 5.800 . 5.800 5.448 5.448 5.448 . 0 0 "[ ]" 2
156 1 37 CYS HA 1 56 LEU MD1 5.800 . 5.800 4.153 4.153 4.153 . 0 0 "[ ]" 2
157 1 30 TYR QD 1 56 LEU MD2 5.800 . 5.800 4.642 4.642 4.642 . 0 0 "[ ]" 2
158 1 34 PHE QE 1 56 LEU MD2 5.800 . 5.800 2.394 2.394 2.394 . 0 0 "[ ]" 2
159 1 34 PHE H 1 56 LEU MD2 5.800 . 5.800 3.565 3.565 3.565 . 0 0 "[ ]" 2
160 1 18 VAL MG2 1 34 PHE QB 5.800 . 5.800 4.468 4.468 4.468 . 0 0 "[ ]" 2
161 1 22 LEU MD1 1 34 PHE QB 5.800 . 5.800 3.356 3.356 3.356 . 0 0 "[ ]" 2
162 1 21 PHE QE 1 71 SER HB3 5.500 . 5.500 5.031 5.031 5.031 . 0 0 "[ ]" 2
163 1 71 SER HB3 1 74 PHE H 5.500 . 5.500 5.027 5.027 5.027 . 0 0 "[ ]" 2
164 1 45 ILE MD 1 74 PHE QE 5.800 . 5.800 5.364 5.364 5.364 . 0 0 "[ ]" 2
165 1 18 VAL H 1 45 ILE MD 5.800 . 5.800 3.920 3.920 3.920 . 0 0 "[ ]" 2
166 1 53 LEU MD2 1 64 ARG QB 5.800 . 5.800 4.449 4.449 4.449 . 0 0 "[ ]" 2
167 1 31 LEU MD2 1 34 PHE QB 5.800 . 5.800 3.690 3.690 3.690 . 0 0 "[ ]" 2
168 1 34 PHE QB 1 67 ILE MD 5.800 . 5.800 5.927 5.927 5.927 0.127 1 0 "[ ]" 2
169 1 48 LEU HA 1 53 LEU MD1 5.800 . 5.800 5.450 5.450 5.450 . 0 0 "[ ]" 2
170 1 48 LEU MD2 1 58 VAL MG2 5.800 . 5.800 5.985 5.985 5.985 0.185 1 0 "[ ]" 2
171 1 22 LEU QB 1 34 PHE QD 5.500 . 5.500 4.555 4.555 4.555 . 0 0 "[ ]" 2
172 1 18 VAL MG1 1 34 PHE QD 5.800 . 5.800 2.544 2.544 2.544 . 0 0 "[ ]" 2
173 1 22 LEU MD2 1 34 PHE QD 5.800 . 5.800 4.361 4.361 4.361 . 0 0 "[ ]" 2
174 1 22 LEU MD1 1 34 PHE QD 5.800 . 5.800 2.454 2.454 2.454 . 0 0 "[ ]" 2
175 1 34 PHE QD 1 56 LEU MD1 5.800 . 5.800 3.426 3.426 3.426 . 0 0 "[ ]" 2
176 1 21 PHE QE 1 70 LYS HA 5.500 . 5.500 3.230 3.230 3.230 . 0 0 "[ ]" 2
177 1 17 PHE HA 1 74 PHE QE 5.500 . 5.500 5.497 5.497 5.497 . 0 0 "[ ]" 2
178 1 44 GLU HA 1 47 TYR QD 5.500 . 5.500 4.068 4.068 4.068 . 0 0 "[ ]" 2
179 1 47 TYR HA 1 47 TYR QD 3.400 . 3.400 2.671 2.671 2.671 . 0 0 "[ ]" 2
180 1 30 TYR HA 1 30 TYR QE 6.000 . 6.000 4.347 4.347 4.347 . 0 0 "[ ]" 2
181 1 43 GLU QG 1 47 TYR QD 5.500 . 5.500 5.224 5.224 5.224 . 0 0 "[ ]" 2
182 1 45 ILE MG 1 74 PHE QD 5.800 . 5.800 6.051 6.051 6.051 0.251 1 0 "[ ]" 2
183 1 17 PHE QE 1 45 ILE MG 5.800 . 5.800 4.013 4.013 4.013 . 0 0 "[ ]" 2
184 1 17 PHE QE 1 45 ILE MD 5.800 . 5.800 2.863 2.863 2.863 . 0 0 "[ ]" 2
185 1 22 LEU MD1 1 30 TYR QD 3.800 . 3.800 2.373 2.373 2.373 . 0 0 "[ ]" 2
186 1 47 TYR QB 1 47 TYR QE 4.000 . 4.000 3.957 3.957 3.957 . 0 0 "[ ]" 2
187 1 21 PHE QE 1 70 LYS QB 5.500 . 5.500 2.655 2.655 2.655 . 0 0 "[ ]" 2
188 1 17 PHE HZ 1 45 ILE MD 5.800 . 5.800 4.922 4.922 4.922 . 0 0 "[ ]" 2
189 1 17 PHE HZ 1 45 ILE MG 5.800 . 5.800 5.765 5.765 5.765 . 0 0 "[ ]" 2
190 1 34 PHE QD 1 56 LEU QB 5.500 . 5.500 4.988 4.988 4.988 . 0 0 "[ ]" 2
191 1 34 PHE QD 1 67 ILE MG 5.800 . 5.800 4.947 4.947 4.947 . 0 0 "[ ]" 2
192 1 31 LEU HA 1 34 PHE QD 5.500 . 5.500 3.216 3.216 3.216 . 0 0 "[ ]" 2
193 1 47 TYR HA 1 47 TYR QE 4.000 . 4.000 4.449 4.449 4.449 0.449 1 0 "[ ]" 2
194 1 17 PHE QE 1 70 LYS QB 5.500 . 5.500 5.090 5.090 5.090 . 0 0 "[ ]" 2
195 1 17 PHE QE 1 20 LEU MD1 5.800 . 5.800 5.951 5.951 5.951 0.151 1 0 "[ ]" 2
196 1 30 TYR QB 1 34 PHE QE 5.500 . 5.500 3.277 3.277 3.277 . 0 0 "[ ]" 2
197 1 21 PHE QD 1 70 LYS QB 5.500 . 5.500 2.148 2.148 2.148 . 0 0 "[ ]" 2
198 1 21 PHE QE 1 70 LYS QB 5.500 . 5.500 2.655 2.655 2.655 . 0 0 "[ ]" 2
199 1 21 PHE QE 1 67 ILE MG 5.800 . 5.800 2.390 2.390 2.390 . 0 0 "[ ]" 2
200 1 21 PHE QE 1 67 ILE MD 5.800 . 5.800 4.426 4.426 4.426 . 0 0 "[ ]" 2
201 1 17 PHE HZ 1 74 PHE QB 5.500 . 5.500 3.260 3.260 3.260 . 0 0 "[ ]" 2
202 1 30 TYR QB 1 34 PHE QD 5.500 . 5.500 3.548 3.548 3.548 . 0 0 "[ ]" 2
203 1 34 PHE QD 1 39 LEU QB 5.500 . 5.500 2.334 2.334 2.334 . 0 0 "[ ]" 2
204 1 34 PHE QD 1 39 LEU HG 5.500 . 5.500 4.207 4.207 4.207 . 0 0 "[ ]" 2
205 1 30 TYR HA 1 34 PHE QD 5.500 . 5.500 4.405 4.405 4.405 . 0 0 "[ ]" 2
206 1 34 PHE QD 1 45 ILE MG 5.800 . 5.800 3.100 3.100 3.100 . 0 0 "[ ]" 2
207 1 30 TYR QD 1 34 PHE QD 5.500 . 5.500 5.270 5.270 5.270 . 0 0 "[ ]" 2
208 1 17 PHE HZ 1 21 PHE QD 5.500 . 5.500 3.954 3.954 3.954 . 0 0 "[ ]" 2
209 1 17 PHE QE 1 21 PHE QD 5.500 . 5.500 3.579 3.579 3.579 . 0 0 "[ ]" 2
210 1 17 PHE HZ 1 21 PHE QE 5.500 . 5.500 5.680 5.680 5.680 0.180 1 0 "[ ]" 2
211 1 17 PHE HZ 1 74 PHE QD 5.500 . 5.500 2.955 2.955 2.955 . 0 0 "[ ]" 2
212 1 17 PHE QE 1 74 PHE QD 5.500 . 5.500 2.843 2.843 2.843 . 0 0 "[ ]" 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 48
_Distance_constraint_stats_list.Viol_count 25
_Distance_constraint_stats_list.Viol_total 2.243
_Distance_constraint_stats_list.Viol_max 0.208
_Distance_constraint_stats_list.Viol_rms 0.0583
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0467
_Distance_constraint_stats_list.Viol_average_violations_only 0.0897
_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 16 PRO 0.000 0.000 . 0 "[ ]"
1 17 PHE 0.000 0.000 . 0 "[ ]"
1 18 VAL 0.224 0.117 1 0 "[ ]"
1 20 LEU 0.000 0.000 . 0 "[ ]"
1 21 PHE 0.000 0.000 . 0 "[ ]"
1 22 LEU 0.224 0.117 1 0 "[ ]"
1 28 THR 0.291 0.167 1 0 "[ ]"
1 29 GLN 0.260 0.141 1 0 "[ ]"
1 30 TYR 0.000 0.000 . 0 "[ ]"
1 31 LEU 0.050 0.036 1 0 "[ ]"
1 32 ASP 0.291 0.167 1 0 "[ ]"
1 33 SER 0.260 0.141 1 0 "[ ]"
1 34 PHE 0.000 0.000 . 0 "[ ]"
1 35 ILE 0.050 0.036 1 0 "[ ]"
1 36 GLN 0.000 0.000 . 0 "[ ]"
1 42 GLU 0.039 0.039 1 0 "[ ]"
1 43 GLU 0.106 0.106 1 0 "[ ]"
1 44 GLU 0.113 0.060 1 0 "[ ]"
1 45 ILE 0.039 0.039 1 0 "[ ]"
1 46 LYS 0.106 0.106 1 0 "[ ]"
1 47 TYR 0.060 0.060 1 0 "[ ]"
1 48 LEU 0.053 0.053 1 0 "[ ]"
1 49 ASP 0.000 0.000 . 0 "[ ]"
1 50 LYS 0.126 0.079 1 0 "[ ]"
1 51 ASP 0.264 0.147 1 0 "[ ]"
1 52 ILE 0.024 0.024 1 0 "[ ]"
1 53 LEU 0.000 0.000 . 0 "[ ]"
1 54 ILE 0.126 0.079 1 0 "[ ]"
1 55 ALA 0.264 0.147 1 0 "[ ]"
1 56 LEU 0.024 0.024 1 0 "[ ]"
1 62 GLY 0.154 0.085 1 0 "[ ]"
1 63 ASP 0.000 0.000 . 0 "[ ]"
1 64 ARG 0.082 0.075 1 0 "[ ]"
1 65 LEU 0.000 0.000 . 0 "[ ]"
1 66 LYS 0.154 0.085 1 0 "[ ]"
1 67 ILE 0.000 0.000 . 0 "[ ]"
1 68 LEU 0.236 0.079 1 0 "[ ]"
1 69 ARG 0.360 0.208 1 0 "[ ]"
1 70 LYS 0.000 0.000 . 0 "[ ]"
1 71 SER 0.000 0.000 . 0 "[ ]"
1 72 LYS 0.154 0.079 1 0 "[ ]"
1 73 SER 0.360 0.208 1 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 16 PRO O 1 20 LEU H 1.800 . 2.300 2.107 2.107 2.107 . 0 0 "[ ]" 3
2 1 16 PRO O 1 20 LEU N 2.700 2.700 3.200 3.075 3.075 3.075 . 0 0 "[ ]" 3
3 1 17 PHE O 1 21 PHE H 1.800 . 2.300 1.814 1.814 1.814 . 0 0 "[ ]" 3
4 1 17 PHE O 1 21 PHE N 2.700 2.700 3.200 2.791 2.791 2.791 . 0 0 "[ ]" 3
5 1 18 VAL O 1 22 LEU H 1.800 . 2.300 2.407 2.407 2.407 0.107 1 0 "[ ]" 3
6 1 18 VAL O 1 22 LEU N 2.700 2.700 3.200 3.317 3.317 3.317 0.117 1 0 "[ ]" 3
7 1 28 THR O 1 32 ASP H 1.800 . 2.300 2.467 2.467 2.467 0.167 1 0 "[ ]" 3
8 1 28 THR O 1 32 ASP N 2.700 2.700 3.200 3.323 3.323 3.323 0.123 1 0 "[ ]" 3
9 1 29 GLN O 1 33 SER H 1.800 . 2.300 2.441 2.441 2.441 0.141 1 0 "[ ]" 3
10 1 29 GLN O 1 33 SER N 2.700 2.700 3.200 3.318 3.318 3.318 0.118 1 0 "[ ]" 3
11 1 30 TYR O 1 34 PHE H 1.800 . 2.300 2.201 2.201 2.201 . 0 0 "[ ]" 3
12 1 30 TYR O 1 34 PHE N 2.700 2.700 3.200 3.086 3.086 3.086 . 0 0 "[ ]" 3
13 1 31 LEU O 1 35 ILE H 1.800 . 2.300 2.314 2.314 2.314 0.014 1 0 "[ ]" 3
14 1 31 LEU O 1 35 ILE N 2.700 2.700 3.200 3.236 3.236 3.236 0.036 1 0 "[ ]" 3
15 1 32 ASP O 1 36 GLN H 1.800 . 2.300 2.152 2.152 2.152 . 0 0 "[ ]" 3
16 1 32 ASP O 1 36 GLN N 2.700 2.700 3.200 3.040 3.040 3.040 . 0 0 "[ ]" 3
17 1 42 GLU O 1 45 ILE H 1.800 . 2.300 2.339 2.339 2.339 0.039 1 0 "[ ]" 3
18 1 42 GLU O 1 45 ILE N 2.700 2.700 3.200 3.110 3.110 3.110 . 0 0 "[ ]" 3
19 1 43 GLU O 1 46 LYS H 1.800 . 2.300 2.406 2.406 2.406 0.106 1 0 "[ ]" 3
20 1 43 GLU O 1 46 LYS N 2.700 2.700 3.200 3.085 3.085 3.085 . 0 0 "[ ]" 3
21 1 44 GLU O 1 47 TYR H 1.800 . 2.300 2.143 2.143 2.143 . 0 0 "[ ]" 3
22 1 44 GLU O 1 47 TYR N 2.700 2.700 3.200 2.640 2.640 2.640 0.060 1 0 "[ ]" 3
23 1 44 GLU O 1 48 LEU H 1.800 . 2.300 2.353 2.353 2.353 0.053 1 0 "[ ]" 3
24 1 44 GLU O 1 48 LEU N 2.700 2.700 3.200 2.970 2.970 2.970 . 0 0 "[ ]" 3
25 1 49 ASP O 1 53 LEU H 1.800 . 2.300 1.917 1.917 1.917 . 0 0 "[ ]" 3
26 1 49 ASP O 1 53 LEU N 2.700 2.700 3.200 2.860 2.860 2.860 . 0 0 "[ ]" 3
27 1 50 LYS O 1 54 ILE H 1.800 . 2.300 2.379 2.379 2.379 0.079 1 0 "[ ]" 3
28 1 50 LYS O 1 54 ILE N 2.700 2.700 3.200 3.247 3.247 3.247 0.047 1 0 "[ ]" 3
29 1 51 ASP O 1 55 ALA H 1.800 . 2.300 2.416 2.416 2.416 0.116 1 0 "[ ]" 3
30 1 51 ASP O 1 55 ALA N 2.700 2.700 3.200 3.347 3.347 3.347 0.147 1 0 "[ ]" 3
31 1 52 ILE O 1 56 LEU H 1.800 . 2.300 1.808 1.808 1.808 . 0 0 "[ ]" 3
32 1 52 ILE O 1 56 LEU N 2.700 2.700 3.200 2.676 2.676 2.676 0.024 1 0 "[ ]" 3
33 1 62 GLY O 1 66 LYS H 1.800 . 2.300 2.369 2.369 2.369 0.069 1 0 "[ ]" 3
34 1 62 GLY O 1 66 LYS N 2.700 2.700 3.200 3.285 3.285 3.285 0.085 1 0 "[ ]" 3
35 1 63 ASP O 1 67 ILE H 1.800 . 2.300 1.990 1.990 1.990 . 0 0 "[ ]" 3
36 1 63 ASP O 1 67 ILE N 2.700 2.700 3.200 2.925 2.925 2.925 . 0 0 "[ ]" 3
37 1 64 ARG O 1 68 LEU H 1.800 . 2.300 2.307 2.307 2.307 0.007 1 0 "[ ]" 3
38 1 64 ARG O 1 68 LEU N 2.700 2.700 3.200 3.275 3.275 3.275 0.075 1 0 "[ ]" 3
39 1 65 LEU O 1 69 ARG H 1.800 . 2.300 1.972 1.972 1.972 . 0 0 "[ ]" 3
40 1 65 LEU O 1 69 ARG N 2.700 2.700 3.200 2.941 2.941 2.941 . 0 0 "[ ]" 3
41 1 66 LYS O 1 70 LYS H 1.800 . 2.300 1.803 1.803 1.803 . 0 0 "[ ]" 3
42 1 66 LYS O 1 70 LYS N 2.700 2.700 3.200 2.760 2.760 2.760 . 0 0 "[ ]" 3
43 1 67 ILE O 1 71 SER H 1.800 . 2.300 2.002 2.002 2.002 . 0 0 "[ ]" 3
44 1 67 ILE O 1 71 SER N 2.700 2.700 3.200 2.901 2.901 2.901 . 0 0 "[ ]" 3
45 1 68 LEU O 1 72 LYS H 1.800 . 2.300 2.379 2.379 2.379 0.079 1 0 "[ ]" 3
46 1 68 LEU O 1 72 LYS N 2.700 2.700 3.200 3.275 3.275 3.275 0.075 1 0 "[ ]" 3
47 1 69 ARG O 1 73 SER H 1.800 . 2.300 2.508 2.508 2.508 0.208 1 0 "[ ]" 3
48 1 69 ARG O 1 73 SER N 2.700 2.700 3.200 3.351 3.351 3.351 0.151 1 0 "[ ]" 3
stop_
save_
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