NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
566752 |
2mby   |
19416 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mby
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 405
_Distance_constraint_stats_list.Viol_count 59
_Distance_constraint_stats_list.Viol_total 1.079
_Distance_constraint_stats_list.Viol_max 0.052
_Distance_constraint_stats_list.Viol_rms 0.0086
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0027
_Distance_constraint_stats_list.Viol_average_violations_only 0.0183
_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 PRO 0.000 0.000 . 0 "[ ]"
1 3 GLU 0.064 0.048 1 0 "[ ]"
1 4 ALA 0.056 0.048 1 0 "[ ]"
1 5 ASP 0.008 0.008 1 0 "[ ]"
1 6 PHE 0.006 0.006 1 0 "[ ]"
1 7 TYR 0.006 0.006 1 0 "[ ]"
1 8 ARG 0.015 0.015 1 0 "[ ]"
1 9 PHE 0.000 0.000 . 0 "[ ]"
1 10 GLN 0.022 0.015 1 0 "[ ]"
1 11 VAL 0.096 0.051 1 0 "[ ]"
1 12 ARG 0.089 0.051 1 0 "[ ]"
1 13 GLU 0.000 0.000 . 0 "[ ]"
1 14 ARG 0.000 0.000 . 0 "[ ]"
1 15 LYS 0.036 0.036 1 0 "[ ]"
1 16 LYS 0.030 0.028 1 0 "[ ]"
1 17 GLN 0.002 0.002 1 0 "[ ]"
1 18 GLU 0.000 0.000 . 0 "[ ]"
1 19 ILE 0.001 0.001 1 0 "[ ]"
1 20 ASN 0.000 0.000 . 0 "[ ]"
1 21 GLN 0.006 0.003 1 0 "[ ]"
1 22 LEU 0.000 0.000 . 0 "[ ]"
1 23 LEU 0.002 0.002 1 0 "[ ]"
1 24 SER 0.028 0.025 1 0 "[ ]"
1 25 LYS 0.093 0.037 1 0 "[ ]"
1 26 PHE 0.082 0.037 1 0 "[ ]"
1 27 LYS 0.068 0.032 1 0 "[ ]"
1 28 GLU 0.062 0.032 1 0 "[ ]"
1 29 ASP 0.093 0.031 1 0 "[ ]"
1 30 GLN 0.121 0.048 1 0 "[ ]"
1 31 GLU 0.069 0.039 1 0 "[ ]"
1 32 ARG 0.198 0.039 1 0 "[ ]"
1 33 ILE 0.110 0.041 1 0 "[ ]"
1 34 LYS 0.112 0.041 1 0 "[ ]"
1 35 VAL 0.014 0.011 1 0 "[ ]"
1 36 MET 0.108 0.032 1 0 "[ ]"
1 37 LYS 0.088 0.046 1 0 "[ ]"
1 38 ALA 0.052 0.052 1 0 "[ ]"
1 39 LYS 0.000 0.000 1 0 "[ ]"
1 40 ARG 0.000 0.000 1 0 "[ ]"
1 41 LYS 0.000 0.000 . 0 "[ ]"
1 42 PHE 0.000 0.000 . 0 "[ ]"
1 43 ASN 0.000 0.000 . 0 "[ ]"
1 44 PRO 0.014 0.009 1 0 "[ ]"
1 45 TYR 0.014 0.009 1 0 "[ ]"
1 46 THR 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 11 VAL HA 1 15 LYS H 3.650 . 5.500 5.148 5.148 5.148 . 0 0 "[ ]" 1
2 1 13 GLU HA 1 14 ARG H 2.650 . 3.500 3.472 3.472 3.472 . 0 0 "[ ]" 1
3 1 16 LYS H 1 16 LYS HD3 3.650 . 5.500 4.842 4.842 4.842 . 0 0 "[ ]" 1
4 1 15 LYS H 1 15 LYS HA 2.300 . 2.800 2.774 2.774 2.774 . 0 0 "[ ]" 1
5 1 14 ARG H 1 14 ARG HG2 2.650 . 3.500 3.226 3.226 3.226 . 0 0 "[ ]" 1
6 1 13 GLU HB3 1 14 ARG H 3.650 . 5.500 2.977 2.977 2.977 . 0 0 "[ ]" 1
7 1 11 VAL HA 1 14 ARG H 3.650 . 5.500 4.069 4.069 4.069 . 0 0 "[ ]" 1
8 1 14 ARG H 1 14 ARG HD3 3.650 . 5.500 5.356 5.356 5.356 . 0 0 "[ ]" 1
9 1 17 GLN H 1 17 GLN HB3 2.650 . 3.500 2.613 2.613 2.613 . 0 0 "[ ]" 1
10 1 16 LYS HB2 1 17 GLN H 2.650 . 3.500 3.502 3.502 3.502 0.002 1 0 "[ ]" 1
11 1 17 GLN H 1 17 GLN HA 2.650 . 3.500 2.947 2.947 2.947 . 0 0 "[ ]" 1
12 1 17 GLN H 1 17 GLN HG3 3.650 . 5.500 4.746 4.746 4.746 . 0 0 "[ ]" 1
13 1 17 GLN H 1 19 ILE HG13 3.650 . 5.500 4.148 4.148 4.148 . 0 0 "[ ]" 1
14 1 15 LYS HA 1 16 LYS H 2.300 . 2.800 2.624 2.624 2.624 . 0 0 "[ ]" 1
15 1 16 LYS HD2 1 17 GLN H 3.650 . 5.500 4.727 4.727 4.727 . 0 0 "[ ]" 1
16 1 17 GLN H 1 19 ILE HG12 3.650 . 5.500 3.076 3.076 3.076 . 0 0 "[ ]" 1
17 1 8 ARG HA 1 11 VAL H 3.650 . 5.500 3.688 3.688 3.688 . 0 0 "[ ]" 1
18 1 10 GLN HA 1 11 VAL H 2.650 . 3.500 3.507 3.507 3.507 0.007 1 0 "[ ]" 1
19 1 11 VAL H 1 11 VAL HA 2.650 . 3.500 2.815 2.815 2.815 . 0 0 "[ ]" 1
20 1 11 VAL H 1 11 VAL HB 2.300 . 2.800 2.189 2.189 2.189 . 0 0 "[ ]" 1
21 1 10 GLN HG2 1 11 VAL H 3.650 . 5.500 3.720 3.720 3.720 . 0 0 "[ ]" 1
22 1 11 VAL H 1 12 ARG HG2 3.650 . 5.500 5.513 5.513 5.513 0.013 1 0 "[ ]" 1
23 1 26 PHE H 1 26 PHE HB2 2.300 . 2.800 2.071 2.071 2.071 . 0 0 "[ ]" 1
24 1 9 PHE HB2 1 10 GLN H . . 3.500 2.443 2.443 2.443 . 0 0 "[ ]" 1
25 1 13 GLU H 1 13 GLU HB2 2.300 . 2.800 2.312 2.312 2.312 . 0 0 "[ ]" 1
26 1 9 PHE HB2 1 13 GLU H 3.650 . 5.500 5.431 5.431 5.431 . 0 0 "[ ]" 1
27 1 11 VAL MG1 1 14 ARG H 3.650 . 5.500 4.774 4.774 4.774 . 0 0 "[ ]" 1
28 1 12 ARG HG2 1 13 GLU H 3.650 . 5.500 4.681 4.681 4.681 . 0 0 "[ ]" 1
29 1 28 GLU H 1 29 ASP H 2.650 . 3.500 2.713 2.713 2.713 . 0 0 "[ ]" 1
30 1 27 LYS H 1 28 GLU H 2.650 . 3.500 2.668 2.668 2.668 . 0 0 "[ ]" 1
31 1 11 VAL HA 1 13 GLU H 3.650 . 5.500 5.054 5.054 5.054 . 0 0 "[ ]" 1
32 1 11 VAL MG1 1 13 GLU H 3.650 . 5.500 4.533 4.533 4.533 . 0 0 "[ ]" 1
33 1 16 LYS HA 1 17 GLN H 2.650 . 3.500 2.143 2.143 2.143 . 0 0 "[ ]" 1
34 1 21 GLN H 1 22 LEU H 3.650 . 5.500 2.686 2.686 2.686 . 0 0 "[ ]" 1
35 1 21 GLN H 1 21 GLN HA 2.650 . 3.500 2.798 2.798 2.798 . 0 0 "[ ]" 1
36 1 20 ASN HA 1 22 LEU H 3.650 . 5.500 4.437 4.437 4.437 . 0 0 "[ ]" 1
37 1 20 ASN HA 1 21 GLN H 2.650 . 3.600 3.570 3.570 3.570 . 0 0 "[ ]" 1
38 1 19 ILE HA 1 20 ASN H 2.650 . 3.500 3.473 3.473 3.473 . 0 0 "[ ]" 1
39 1 20 ASN H 1 20 ASN HB3 2.300 . 2.800 2.794 2.794 2.794 . 0 0 "[ ]" 1
40 1 21 GLN H 1 21 GLN HB3 2.650 . 3.500 3.389 3.389 3.389 . 0 0 "[ ]" 1
41 1 23 LEU H 1 23 LEU HA 2.300 . 2.800 2.802 2.802 2.802 0.002 1 0 "[ ]" 1
42 1 23 LEU H 1 23 LEU MD1 2.650 . 3.500 2.351 2.351 2.351 . 0 0 "[ ]" 1
43 1 23 LEU MD1 1 24 SER H 3.650 . 5.500 4.266 4.266 4.266 . 0 0 "[ ]" 1
44 1 20 ASN HA 1 23 LEU H 3.650 . 5.500 3.875 3.875 3.875 . 0 0 "[ ]" 1
45 1 21 GLN HG2 1 22 LEU H 3.650 . 5.500 5.003 5.003 5.003 . 0 0 "[ ]" 1
46 1 19 ILE HA 1 22 LEU H 3.650 . 5.500 3.560 3.560 3.560 . 0 0 "[ ]" 1
47 1 22 LEU H 1 22 LEU MD1 3.650 . 5.500 4.080 4.080 4.080 . 0 0 "[ ]" 1
48 1 21 GLN HB2 1 22 LEU H 2.650 . 3.500 3.097 3.097 3.097 . 0 0 "[ ]" 1
49 1 19 ILE H 1 19 ILE HG13 2.650 . 3.500 3.143 3.143 3.143 . 0 0 "[ ]" 1
50 1 18 GLU H 1 19 ILE H 3.650 . 5.500 2.829 2.829 2.829 . 0 0 "[ ]" 1
51 1 27 LYS H 1 27 LYS HD3 3.650 . 5.500 4.895 4.895 4.895 . 0 0 "[ ]" 1
52 1 19 ILE H 1 19 ILE HG12 2.300 . 2.800 2.068 2.068 2.068 . 0 0 "[ ]" 1
53 1 18 GLU H 1 18 GLU HB2 2.300 . 2.800 2.285 2.285 2.285 . 0 0 "[ ]" 1
54 1 17 GLN HG2 1 18 GLU H 3.650 . 5.500 3.174 3.174 3.174 . 0 0 "[ ]" 1
55 1 18 GLU H 1 18 GLU HA 2.300 . 2.800 2.791 2.791 2.791 . 0 0 "[ ]" 1
56 1 16 LYS HB2 1 18 GLU H 3.650 . 5.500 5.345 5.345 5.345 . 0 0 "[ ]" 1
57 1 19 ILE HG13 1 20 ASN H 3.650 . 5.500 2.430 2.430 2.430 . 0 0 "[ ]" 1
58 1 19 ILE MG 1 20 ASN H 3.650 . 5.500 4.023 4.023 4.023 . 0 0 "[ ]" 1
59 1 19 ILE HB 1 20 ASN H 3.650 . 5.500 3.928 3.928 3.928 . 0 0 "[ ]" 1
60 1 19 ILE HG12 1 20 ASN H 3.650 . 5.500 2.908 2.908 2.908 . 0 0 "[ ]" 1
61 1 26 PHE HB2 1 27 LYS H 2.650 . 3.500 3.263 3.263 3.263 . 0 0 "[ ]" 1
62 1 17 GLN HG2 1 19 ILE H 3.650 . 5.500 5.498 5.498 5.498 . 0 0 "[ ]" 1
63 1 19 ILE H 1 20 ASN H 3.650 . 5.500 2.659 2.659 2.659 . 0 0 "[ ]" 1
64 1 27 LYS H 1 27 LYS HA 2.650 . 3.500 2.812 2.812 2.812 . 0 0 "[ ]" 1
65 1 43 ASN H 1 43 ASN HB3 3.650 . 5.500 3.433 3.433 3.433 . 0 0 "[ ]" 1
66 1 25 LYS H 1 28 GLU H 3.650 . 5.500 4.748 4.748 4.748 . 0 0 "[ ]" 1
67 1 42 PHE HB2 1 43 ASN H 3.650 . 5.500 3.916 3.916 3.916 . 0 0 "[ ]" 1
68 1 43 ASN H 1 43 ASN HB2 3.650 . 5.500 2.292 2.292 2.292 . 0 0 "[ ]" 1
69 1 24 SER HA 1 25 LYS H 2.650 . 3.500 3.525 3.525 3.525 0.025 1 0 "[ ]" 1
70 1 24 SER HB2 1 25 LYS H 3.650 . 5.500 3.884 3.884 3.884 . 0 0 "[ ]" 1
71 1 25 LYS H 1 26 PHE HA 3.650 . 5.500 5.270 5.270 5.270 . 0 0 "[ ]" 1
72 1 25 LYS H 1 25 LYS HA 2.650 . 3.500 2.820 2.820 2.820 . 0 0 "[ ]" 1
73 1 2 PRO HD2 1 3 GLU H 3.650 . 5.500 2.634 2.634 2.634 . 0 0 "[ ]" 1
74 1 2 PRO HG2 1 3 GLU H 2.650 . 3.500 2.393 2.393 2.393 . 0 0 "[ ]" 1
75 1 2 PRO HB2 1 3 GLU H 3.650 . 5.500 3.363 3.363 3.363 . 0 0 "[ ]" 1
76 1 14 ARG H 1 14 ARG HB2 2.300 . 2.800 2.096 2.096 2.096 . 0 0 "[ ]" 1
77 1 42 PHE HA 1 43 ASN H 3.650 . 5.500 2.415 2.415 2.415 . 0 0 "[ ]" 1
78 1 2 PRO HA 1 3 GLU H 3.650 . 5.500 3.518 3.518 3.518 . 0 0 "[ ]" 1
79 1 3 GLU H 1 4 ALA H 3.650 . 5.500 2.624 2.624 2.624 . 0 0 "[ ]" 1
80 1 8 ARG HA 1 12 ARG H 3.650 . 5.500 4.185 4.185 4.185 . 0 0 "[ ]" 1
81 1 12 ARG H 1 12 ARG HA 2.650 . 3.500 2.847 2.847 2.847 . 0 0 "[ ]" 1
82 1 12 ARG H 1 12 ARG HD3 3.650 . 5.500 4.362 4.362 4.362 . 0 0 "[ ]" 1
83 1 11 VAL HA 1 12 ARG H 2.650 . 3.500 3.551 3.551 3.551 0.051 1 0 "[ ]" 1
84 1 12 ARG H 1 13 GLU H 3.650 . 5.500 2.667 2.667 2.667 . 0 0 "[ ]" 1
85 1 35 VAL MG1 1 38 ALA H 3.650 . 5.500 4.474 4.474 4.474 . 0 0 "[ ]" 1
86 1 9 PHE HA 1 12 ARG H 3.650 . 5.500 3.776 3.776 3.776 . 0 0 "[ ]" 1
87 1 11 VAL H 1 12 ARG H 3.650 . 5.500 2.830 2.830 2.830 . 0 0 "[ ]" 1
88 1 25 LYS H 1 25 LYS HG3 3.650 . 5.500 4.505 4.505 4.505 . 0 0 "[ ]" 1
89 1 23 LEU MD1 1 25 LYS H 3.650 . 5.500 5.440 5.440 5.440 . 0 0 "[ ]" 1
90 1 25 LYS H 1 26 PHE HB2 3.650 . 5.500 4.472 4.472 4.472 . 0 0 "[ ]" 1
91 1 25 LYS H 1 25 LYS HD3 3.650 . 5.500 5.332 5.332 5.332 . 0 0 "[ ]" 1
92 1 12 ARG H 1 12 ARG HB3 2.650 . 3.500 3.493 3.493 3.493 . 0 0 "[ ]" 1
93 1 11 VAL HB 1 12 ARG H 2.650 . 3.500 2.527 2.527 2.527 . 0 0 "[ ]" 1
94 1 11 VAL MG1 1 12 ARG H 3.650 . 5.500 2.301 2.301 2.301 . 0 0 "[ ]" 1
95 1 12 ARG H 1 12 ARG HG2 2.650 . 3.500 2.920 2.920 2.920 . 0 0 "[ ]" 1
96 1 4 ALA MB 1 5 ASP H 2.650 . 3.500 2.817 2.817 2.817 . 0 0 "[ ]" 1
97 1 5 ASP HA 1 8 ARG H 3.650 . 5.500 3.616 3.616 3.616 . 0 0 "[ ]" 1
98 1 7 TYR HA 1 8 ARG H 2.650 . 3.500 3.490 3.490 3.490 . 0 0 "[ ]" 1
99 1 9 PHE H 1 9 PHE HD1 3.650 . 5.500 3.935 3.935 3.935 . 0 0 "[ ]" 1
100 1 7 TYR HD2 1 8 ARG H 3.650 . 5.500 5.476 5.476 5.476 . 0 0 "[ ]" 1
101 1 8 ARG H 1 10 GLN HB3 3.650 . 5.500 5.515 5.515 5.515 0.015 1 0 "[ ]" 1
102 1 8 ARG H 1 11 VAL MG2 3.650 . 5.500 4.616 4.616 4.616 . 0 0 "[ ]" 1
103 1 8 ARG H 1 8 ARG HA 2.650 . 3.500 2.830 2.830 2.830 . 0 0 "[ ]" 1
104 1 7 TYR HB2 1 8 ARG H 2.650 . 3.500 3.288 3.288 3.288 . 0 0 "[ ]" 1
105 1 11 VAL H 1 11 VAL MG2 2.300 . 2.800 2.799 2.799 2.799 . 0 0 "[ ]" 1
106 1 9 PHE H 1 9 PHE HA 2.300 . 2.800 2.792 2.792 2.792 . 0 0 "[ ]" 1
107 1 10 GLN H 1 10 GLN HG3 2.650 . 3.500 2.749 2.749 2.749 . 0 0 "[ ]" 1
108 1 10 GLN H 1 10 GLN HB3 2.300 . 2.800 2.277 2.277 2.277 . 0 0 "[ ]" 1
109 1 8 ARG HB2 1 9 PHE H 2.650 . 3.500 2.596 2.596 2.596 . 0 0 "[ ]" 1
110 1 4 ALA MB 1 7 TYR H 3.650 . 5.500 4.868 4.868 4.868 . 0 0 "[ ]" 1
111 1 9 PHE H 1 10 GLN HG3 3.650 . 5.500 4.685 4.685 4.685 . 0 0 "[ ]" 1
112 1 9 PHE H 1 10 GLN HB3 3.650 . 5.500 4.932 4.932 4.932 . 0 0 "[ ]" 1
113 1 6 PHE H 1 6 PHE HD1 3.650 . 5.500 2.839 2.839 2.839 . 0 0 "[ ]" 1
114 1 3 GLU HG2 1 5 ASP H 3.650 . 5.500 5.508 5.508 5.508 0.008 1 0 "[ ]" 1
115 1 6 PHE H 1 6 PHE HA 2.650 . 3.500 2.828 2.828 2.828 . 0 0 "[ ]" 1
116 1 9 PHE HD2 1 10 GLN H 3.650 . 5.500 4.464 4.464 4.464 . 0 0 "[ ]" 1
117 1 4 ALA HA 1 5 ASP H 2.650 . 3.500 3.492 3.492 3.492 . 0 0 "[ ]" 1
118 1 5 ASP H 1 5 ASP HB2 2.300 . 2.800 2.174 2.174 2.174 . 0 0 "[ ]" 1
119 1 3 GLU HB3 1 5 ASP H 3.650 . 5.500 5.358 5.358 5.358 . 0 0 "[ ]" 1
120 1 5 ASP H 1 5 ASP HA 2.650 . 3.500 2.834 2.834 2.834 . 0 0 "[ ]" 1
121 1 7 TYR H 1 7 TYR HA 2.300 . 2.800 2.800 2.800 2.800 . 0 0 "[ ]" 1
122 1 6 PHE HB2 1 7 TYR H 2.300 . 2.800 2.776 2.776 2.776 . 0 0 "[ ]" 1
123 1 8 ARG H 1 8 ARG HG2 2.650 . 3.500 3.297 3.297 3.297 . 0 0 "[ ]" 1
124 1 5 ASP HB2 1 7 TYR H 3.650 . 5.500 5.399 5.399 5.399 . 0 0 "[ ]" 1
125 1 6 PHE H 1 6 PHE HB2 2.300 . 2.800 2.098 2.098 2.098 . 0 0 "[ ]" 1
126 1 5 ASP HB2 1 6 PHE H 2.650 . 3.500 2.836 2.836 2.836 . 0 0 "[ ]" 1
127 1 7 TYR H 1 7 TYR HD1 3.650 . 5.500 3.059 3.059 3.059 . 0 0 "[ ]" 1
128 1 6 PHE HD2 1 7 TYR H 3.650 . 5.500 5.094 5.094 5.094 . 0 0 "[ ]" 1
129 1 23 LEU HB2 1 24 SER H 2.650 . 3.500 2.933 2.933 2.933 . 0 0 "[ ]" 1
130 1 34 LYS H 1 34 LYS HA 2.300 . 2.800 2.801 2.801 2.801 0.001 1 0 "[ ]" 1
131 1 33 ILE HA 1 34 LYS H 2.650 . 3.500 3.541 3.541 3.541 0.041 1 0 "[ ]" 1
132 1 35 VAL MG1 1 36 MET H 2.650 . 3.500 3.511 3.511 3.511 0.011 1 0 "[ ]" 1
133 1 32 ARG H 1 32 ARG HA 2.300 . 2.800 2.818 2.818 2.818 0.018 1 0 "[ ]" 1
134 1 34 LYS H 1 34 LYS HG3 3.650 . 5.500 3.117 3.117 3.117 . 0 0 "[ ]" 1
135 1 34 LYS H 1 34 LYS HG2 2.650 . 3.500 3.094 3.094 3.094 . 0 0 "[ ]" 1
136 1 34 LYS H 1 35 VAL HB 3.650 . 5.500 4.993 4.993 4.993 . 0 0 "[ ]" 1
137 1 34 LYS H 1 34 LYS HD3 3.650 . 5.500 5.098 5.098 5.098 . 0 0 "[ ]" 1
138 1 35 VAL H 1 36 MET H 2.650 . 3.500 2.702 2.702 2.702 . 0 0 "[ ]" 1
139 1 36 MET H 1 36 MET HA 2.650 . 3.500 2.806 2.806 2.806 . 0 0 "[ ]" 1
140 1 35 VAL MG1 1 37 LYS H 3.650 . 5.500 5.012 5.012 5.012 . 0 0 "[ ]" 1
141 1 33 ILE H 1 36 MET H 3.650 . 5.500 4.742 4.742 4.742 . 0 0 "[ ]" 1
142 1 36 MET H 1 36 MET HG3 3.650 . 5.500 3.313 3.313 3.313 . 0 0 "[ ]" 1
143 1 36 MET H 1 36 MET ME 2.300 . 2.800 2.814 2.814 2.814 0.014 1 0 "[ ]" 1
144 1 33 ILE HA 1 36 MET H 2.650 . 3.500 3.505 3.505 3.505 0.005 1 0 "[ ]" 1
145 1 36 MET H 1 36 MET HG2 3.650 . 5.500 1.957 1.957 1.957 . 0 0 "[ ]" 1
146 1 33 ILE H 1 33 ILE HG12 2.300 . 2.800 2.212 2.212 2.212 . 0 0 "[ ]" 1
147 1 33 ILE H 1 33 ILE HG13 2.650 . 3.500 3.356 3.356 3.356 . 0 0 "[ ]" 1
148 1 29 ASP HB2 1 33 ILE H 3.650 . 5.500 5.492 5.492 5.492 . 0 0 "[ ]" 1
149 1 33 ILE H 1 33 ILE HB 2.300 . 2.800 2.461 2.461 2.461 . 0 0 "[ ]" 1
150 1 32 ARG HA 1 35 VAL H 2.650 . 3.500 3.387 3.387 3.387 . 0 0 "[ ]" 1
151 1 35 VAL H 1 35 VAL HA 2.300 . 2.800 2.803 2.803 2.803 0.003 1 0 "[ ]" 1
152 1 31 GLU H 1 32 ARG H 2.300 . 2.800 2.669 2.669 2.669 . 0 0 "[ ]" 1
153 1 29 ASP HA 1 32 ARG H 2.650 . 3.500 3.503 3.503 3.503 0.003 1 0 "[ ]" 1
154 1 34 LYS H 1 35 VAL MG2 3.650 . 5.500 4.148 4.148 4.148 . 0 0 "[ ]" 1
155 1 31 GLU H 1 33 ILE H 3.650 . 5.500 3.996 3.996 3.996 . 0 0 "[ ]" 1
156 1 33 ILE HG13 1 34 LYS H 3.650 . 5.500 4.762 4.762 4.762 . 0 0 "[ ]" 1
157 1 33 ILE MG 1 34 LYS H 2.650 . 3.500 3.191 3.191 3.191 . 0 0 "[ ]" 1
158 1 33 ILE H 1 33 ILE HA 2.300 . 2.800 2.767 2.767 2.767 . 0 0 "[ ]" 1
159 1 32 ARG HD2 1 33 ILE H 3.650 . 5.500 4.618 4.618 4.618 . 0 0 "[ ]" 1
160 1 29 ASP HA 1 33 ILE H 3.650 . 5.500 3.769 3.769 3.769 . 0 0 "[ ]" 1
161 1 32 ARG HA 1 33 ILE H 2.650 . 3.500 3.527 3.527 3.527 0.027 1 0 "[ ]" 1
162 1 37 LYS H 1 38 ALA MB 3.650 . 5.500 4.482 4.482 4.482 . 0 0 "[ ]" 1
163 1 44 PRO HB3 1 45 TYR H 3.650 . 5.500 4.144 4.144 4.144 . 0 0 "[ ]" 1
164 1 41 LYS HA 1 42 PHE H 2.650 . 3.500 2.658 2.658 2.658 . 0 0 "[ ]" 1
165 1 44 PRO HD2 1 45 TYR H 3.650 . 5.500 2.648 2.648 2.648 . 0 0 "[ ]" 1
166 1 44 PRO HA 1 45 TYR H 2.650 . 3.500 3.505 3.505 3.505 0.005 1 0 "[ ]" 1
167 1 15 LYS HB2 1 16 LYS H 2.300 . 2.800 1.971 1.971 1.971 . 0 0 "[ ]" 1
168 1 41 LYS H 1 41 LYS HA 2.650 . 3.500 2.915 2.915 2.915 . 0 0 "[ ]" 1
169 1 42 PHE H 1 42 PHE HB3 3.650 . 5.500 2.900 2.900 2.900 . 0 0 "[ ]" 1
170 1 24 SER HA 1 26 PHE H 3.650 . 5.500 4.625 4.625 4.625 . 0 0 "[ ]" 1
171 1 25 LYS HD2 1 26 PHE H 3.650 . 5.500 5.246 5.246 5.246 . 0 0 "[ ]" 1
172 1 30 GLN H 1 33 ILE H 3.650 . 5.500 4.775 4.775 4.775 . 0 0 "[ ]" 1
173 1 30 GLN H 1 32 ARG HG2 3.650 . 5.500 4.465 4.465 4.465 . 0 0 "[ ]" 1
174 1 45 TYR H 1 46 THR H 3.650 . 5.500 4.208 4.208 4.208 . 0 0 "[ ]" 1
175 1 19 ILE H 1 19 ILE HA 2.300 . 2.800 2.801 2.801 2.801 0.001 1 0 "[ ]" 1
176 1 46 THR H 1 46 THR HB 3.650 . 5.500 2.998 2.998 2.998 . 0 0 "[ ]" 1
177 1 35 VAL HA 1 37 LYS H 3.650 . 5.500 4.301 4.301 4.301 . 0 0 "[ ]" 1
178 1 36 MET HG3 1 37 LYS H 3.650 . 5.500 4.735 4.735 4.735 . 0 0 "[ ]" 1
179 1 36 MET HA 1 37 LYS H 2.650 . 3.500 3.519 3.519 3.519 0.019 1 0 "[ ]" 1
180 1 37 LYS H 1 37 LYS HA 2.650 . 2.800 2.846 2.846 2.846 0.046 1 0 "[ ]" 1
181 1 37 LYS H 1 37 LYS HD3 3.650 . 5.500 3.636 3.636 3.636 . 0 0 "[ ]" 1
182 1 34 LYS HG2 1 37 LYS H 3.650 . 5.500 5.522 5.522 5.522 0.022 1 0 "[ ]" 1
183 1 36 MET HB2 1 37 LYS H 2.650 . 3.500 2.665 2.665 2.665 . 0 0 "[ ]" 1
184 1 37 LYS H 1 37 LYS HB3 2.650 . 3.500 3.325 3.325 3.325 . 0 0 "[ ]" 1
185 1 40 ARG H 1 40 ARG HA 2.300 . 2.800 2.770 2.770 2.770 . 0 0 "[ ]" 1
186 1 39 LYS HB2 1 40 ARG H 2.650 . 3.500 3.500 3.500 3.500 0.000 1 0 "[ ]" 1
187 1 41 LYS H 1 41 LYS HD3 2.650 . 3.500 2.079 2.079 2.079 . 0 0 "[ ]" 1
188 1 37 LYS HG2 1 41 LYS H 3.650 . 5.500 5.145 5.145 5.145 . 0 0 "[ ]" 1
189 1 38 ALA MB 1 39 LYS H 2.650 . 3.500 1.916 1.916 1.916 . 0 0 "[ ]" 1
190 1 37 LYS H 1 38 ALA H 3.650 . 5.500 2.482 2.482 2.482 . 0 0 "[ ]" 1
191 1 22 LEU H 1 22 LEU HB3 2.300 . 2.800 2.487 2.487 2.487 . 0 0 "[ ]" 1
192 1 39 LYS H 1 39 LYS HB3 2.650 . 3.500 3.457 3.457 3.457 . 0 0 "[ ]" 1
193 1 29 ASP H 1 29 ASP HB2 2.300 . 2.800 2.626 2.626 2.626 . 0 0 "[ ]" 1
194 1 28 GLU HG2 1 29 ASP H 3.650 . 5.500 5.158 5.158 5.158 . 0 0 "[ ]" 1
195 1 29 ASP H 1 29 ASP HA 2.300 . 2.800 2.819 2.819 2.819 0.019 1 0 "[ ]" 1
196 1 28 GLU HA 1 29 ASP H 2.650 . 3.500 3.527 3.527 3.527 0.027 1 0 "[ ]" 1
197 1 26 PHE HA 1 28 GLU H 3.650 . 5.500 4.473 4.473 4.473 . 0 0 "[ ]" 1
198 1 24 SER HB2 1 28 GLU H 3.650 . 5.500 5.284 5.284 5.284 . 0 0 "[ ]" 1
199 1 28 GLU HB2 1 29 ASP H 2.300 . 2.800 2.790 2.790 2.790 . 0 0 "[ ]" 1
200 1 26 PHE HB2 1 28 GLU H 3.650 . 5.500 5.498 5.498 5.498 . 0 0 "[ ]" 1
201 1 29 ASP HB2 1 30 GLN H 2.650 . 3.500 2.704 2.704 2.704 . 0 0 "[ ]" 1
202 1 27 LYS HB2 1 30 GLN H 3.650 . 5.500 5.504 5.504 5.504 0.004 1 0 "[ ]" 1
203 1 29 ASP HA 1 30 GLN H 2.650 . 3.500 3.513 3.513 3.513 0.013 1 0 "[ ]" 1
204 1 30 GLN H 1 30 GLN HA 2.300 . 2.800 2.829 2.829 2.829 0.029 1 0 "[ ]" 1
205 1 29 ASP H 1 30 GLN H 2.300 . 2.800 2.596 2.596 2.596 . 0 0 "[ ]" 1
206 1 26 PHE HD1 1 29 ASP H 3.650 . 5.500 4.985 4.985 4.985 . 0 0 "[ ]" 1
207 1 30 GLN H 1 33 ILE HG12 3.650 . 5.500 5.234 5.234 5.234 . 0 0 "[ ]" 1
208 1 27 LYS HG3 1 30 GLN H 3.650 . 5.500 5.507 5.507 5.507 0.007 1 0 "[ ]" 1
209 1 23 LEU MD1 1 26 PHE H 3.650 . 5.500 5.000 5.000 5.000 . 0 0 "[ ]" 1
210 1 26 PHE H 1 26 PHE HD1 3.650 . 5.500 4.879 4.879 4.879 . 0 0 "[ ]" 1
211 1 25 LYS HB2 1 26 PHE H 2.650 . 3.500 3.515 3.515 3.515 0.015 1 0 "[ ]" 1
212 1 25 LYS HG3 1 26 PHE H 3.650 . 5.500 4.192 4.192 4.192 . 0 0 "[ ]" 1
213 1 24 SER H 1 24 SER HB3 2.650 . 3.500 2.317 2.317 2.317 . 0 0 "[ ]" 1
214 1 21 GLN HG2 1 24 SER H 3.650 . 5.500 5.503 5.503 5.503 0.003 1 0 "[ ]" 1
215 1 20 ASN HA 1 24 SER H 3.650 . 5.500 4.347 4.347 4.347 . 0 0 "[ ]" 1
216 1 24 SER H 1 24 SER HA 2.300 . 2.800 2.800 2.800 2.800 . 1 0 "[ ]" 1
217 1 26 PHE HD1 1 27 LYS H 3.650 . 5.500 4.748 4.748 4.748 . 0 0 "[ ]" 1
218 1 18 GLU HB2 1 19 ILE H 2.650 . 3.500 2.523 2.523 2.523 . 0 0 "[ ]" 1
219 1 28 GLU H 1 28 GLU HG3 2.650 . 3.500 3.389 3.389 3.389 . 0 0 "[ ]" 1
220 1 27 LYS HB2 1 28 GLU H 2.650 . 3.500 2.845 2.845 2.845 . 0 0 "[ ]" 1
221 1 39 LYS H 1 39 LYS HA 2.300 . 3.000 2.883 2.883 2.883 . 0 0 "[ ]" 1
222 1 25 LYS HA 1 26 PHE H 2.650 . 3.500 3.537 3.537 3.537 0.037 1 0 "[ ]" 1
223 1 26 PHE HA 1 27 LYS H 2.650 . 3.500 3.523 3.523 3.523 0.023 1 0 "[ ]" 1
224 1 26 PHE H 1 26 PHE HA 2.300 . 2.800 2.790 2.790 2.790 . 0 0 "[ ]" 1
225 1 30 GLN H 1 32 ARG H 3.650 . 5.500 4.410 4.410 4.410 . 0 0 "[ ]" 1
226 1 32 ARG H 1 33 ILE HG13 3.650 . 5.500 5.521 5.521 5.521 0.021 1 0 "[ ]" 1
227 1 35 VAL H 1 35 VAL MG2 2.300 . 2.800 2.195 2.195 2.195 . 0 0 "[ ]" 1
228 1 31 GLU H 1 32 ARG HG2 3.650 . 5.500 3.839 3.839 3.839 . 0 0 "[ ]" 1
229 1 27 LYS HB3 1 31 GLU H 3.650 . 5.500 5.102 5.102 5.102 . 0 0 "[ ]" 1
230 1 29 ASP H 1 31 GLU H 3.650 . 5.500 3.932 3.932 3.932 . 0 0 "[ ]" 1
231 1 31 GLU H 1 32 ARG HG3 3.650 . 5.500 5.539 5.539 5.539 0.039 1 0 "[ ]" 1
232 1 31 GLU HG2 1 32 ARG H 3.650 . 5.500 4.977 4.977 4.977 . 0 0 "[ ]" 1
233 1 35 VAL H 1 35 VAL HB 2.300 . 2.800 2.623 2.623 2.623 . 0 0 "[ ]" 1
234 1 32 ARG H 1 32 ARG HD3 3.650 . 5.500 3.325 3.325 3.325 . 0 0 "[ ]" 1
235 1 29 ASP HB3 1 32 ARG H 3.650 . 5.500 5.531 5.531 5.531 0.031 1 0 "[ ]" 1
236 1 32 ARG H 1 32 ARG HG2 2.650 . 3.500 2.051 2.051 2.051 . 0 0 "[ ]" 1
237 1 34 LYS HG3 1 35 VAL H 3.650 . 5.500 4.762 4.762 4.762 . 0 0 "[ ]" 1
238 1 32 ARG H 1 32 ARG HB3 2.300 . 2.800 2.588 2.588 2.588 . 0 0 "[ ]" 1
239 1 32 ARG H 1 32 ARG HG3 3.650 . 5.500 3.544 3.544 3.544 . 0 0 "[ ]" 1
240 1 6 PHE HB3 1 7 TYR H 2.300 . 2.800 2.806 2.806 2.806 0.006 1 0 "[ ]" 1
241 1 45 TYR H 1 45 TYR HB3 2.650 . 3.500 3.108 3.108 3.108 . 0 0 "[ ]" 1
242 1 30 GLN HE22 1 33 ILE MD 3.650 . 5.500 4.448 4.448 4.448 . 0 0 "[ ]" 1
243 1 30 GLN HE21 1 33 ILE MD 3.650 . 5.500 4.422 4.422 4.422 . 0 0 "[ ]" 1
244 1 30 GLN H 1 30 GLN HE22 3.650 . 5.500 5.513 5.513 5.513 0.013 1 0 "[ ]" 1
245 1 45 TYR H 1 45 TYR HB2 3.650 . 5.500 3.159 3.159 3.159 . 0 0 "[ ]" 1
246 1 9 PHE H 1 9 PHE HB2 2.300 . 2.800 2.448 2.448 2.448 . 0 0 "[ ]" 1
247 1 29 ASP HA 1 31 GLU H 3.650 . 5.500 4.041 4.041 4.041 . 0 0 "[ ]" 1
248 1 30 GLN HE21 1 34 LYS HG3 3.650 . 5.500 5.505 5.505 5.505 0.005 1 0 "[ ]" 1
249 1 31 GLU H 1 31 GLU HG3 2.650 . 3.500 3.141 3.141 3.141 . 0 0 "[ ]" 1
250 1 31 GLU H 1 31 GLU HA 2.300 . 2.800 2.830 2.830 2.830 0.030 1 0 "[ ]" 1
251 1 30 GLN HE22 1 30 GLN HG2 3.650 . 5.500 3.474 3.474 3.474 . 0 0 "[ ]" 1
252 1 30 GLN HB3 1 30 GLN HE22 3.650 . 5.500 4.530 4.530 4.530 . 0 0 "[ ]" 1
253 1 30 GLN HB3 1 30 GLN HE21 3.650 . 5.500 4.044 4.044 4.044 . 0 0 "[ ]" 1
254 1 36 MET HB2 1 38 ALA H 3.650 . 5.500 4.911 4.911 4.911 . 0 0 "[ ]" 1
255 1 33 ILE HB 1 33 ILE HG12 2.650 . 3.500 2.609 2.609 2.609 . 0 0 "[ ]" 1
256 1 19 ILE HA 1 19 ILE HB 2.650 . 3.500 2.466 2.466 2.466 . 0 0 "[ ]" 1
257 1 32 ARG HA 1 33 ILE HB 3.650 . 6.000 5.707 5.707 5.707 . 0 0 "[ ]" 1
258 1 19 ILE H 1 19 ILE HB 2.650 . 3.800 3.614 3.614 3.614 . 0 0 "[ ]" 1
259 1 19 ILE HB 1 19 ILE MG 2.300 . 2.800 2.125 2.125 2.125 . 0 0 "[ ]" 1
260 1 19 ILE HB 1 19 ILE HG13 2.650 . 3.500 2.492 2.492 2.492 . 0 0 "[ ]" 1
261 1 19 ILE MD 1 19 ILE HG13 2.300 . 2.800 2.075 2.075 2.075 . 0 0 "[ ]" 1
262 1 19 ILE HA 1 19 ILE HG12 3.650 . 5.500 3.740 3.740 3.740 . 0 0 "[ ]" 1
263 1 19 ILE HA 1 19 ILE HG13 3.650 . 5.500 3.693 3.693 3.693 . 0 0 "[ ]" 1
264 1 16 LYS HA 1 16 LYS HG3 2.650 . 3.500 3.528 3.528 3.528 0.028 1 0 "[ ]" 1
265 1 37 LYS HA 1 37 LYS HB3 2.300 . 2.800 2.801 2.801 2.801 0.001 1 0 "[ ]" 1
266 1 34 LYS HA 1 34 LYS HB3 2.300 . 2.800 2.623 2.623 2.623 . 0 0 "[ ]" 1
267 1 32 ARG HA 1 35 VAL MG2 2.650 . 3.500 2.326 2.326 2.326 . 0 0 "[ ]" 1
268 1 14 ARG HA 1 14 ARG HG2 2.650 . 3.500 2.532 2.532 2.532 . 0 0 "[ ]" 1
269 1 12 ARG HD2 1 12 ARG HG2 2.650 . 3.500 2.950 2.950 2.950 . 0 0 "[ ]" 1
270 1 14 ARG HA 1 14 ARG HG3 3.650 . 5.500 3.588 3.588 3.588 . 0 0 "[ ]" 1
271 1 18 GLU HB2 1 19 ILE HA 3.650 . 5.500 4.558 4.558 4.558 . 0 0 "[ ]" 1
272 1 19 ILE HA 1 19 ILE MG 2.650 . 3.500 2.284 2.284 2.284 . 0 0 "[ ]" 1
273 1 37 LYS HA 1 37 LYS HE3 3.650 . 5.500 4.301 4.301 4.301 . 0 0 "[ ]" 1
274 1 22 LEU HA 1 22 LEU MD1 2.300 . 2.800 2.402 2.402 2.402 . 0 0 "[ ]" 1
275 1 23 LEU HB2 1 23 LEU MD2 2.300 . 2.800 2.391 2.391 2.391 . 0 0 "[ ]" 1
276 1 23 LEU MD1 1 23 LEU HG 2.300 . 2.800 2.110 2.110 2.110 . 0 0 "[ ]" 1
277 1 22 LEU HB3 1 22 LEU MD2 2.300 . 2.800 2.088 2.088 2.088 . 0 0 "[ ]" 1
278 1 19 ILE HA 1 22 LEU HB3 3.650 . 5.500 2.264 2.264 2.264 . 0 0 "[ ]" 1
279 1 22 LEU HG 1 23 LEU H 2.650 . 3.500 3.497 3.497 3.497 . 0 0 "[ ]" 1
280 1 22 LEU MD1 1 22 LEU HG 2.300 . 2.800 2.099 2.099 2.099 . 0 0 "[ ]" 1
281 1 15 LYS HA 1 15 LYS HG3 2.650 . 3.500 3.536 3.536 3.536 0.036 1 0 "[ ]" 1
282 1 22 LEU H 1 22 LEU HA 2.300 . 2.800 2.797 2.797 2.797 . 0 0 "[ ]" 1
283 1 25 LYS HA 1 25 LYS HB3 2.300 . 3.000 2.995 2.995 2.995 . 0 0 "[ ]" 1
284 1 25 LYS H 1 25 LYS HB3 2.300 . 2.800 2.816 2.816 2.816 0.016 1 0 "[ ]" 1
285 1 23 LEU HA 1 23 LEU MD1 2.650 . 3.500 2.211 2.211 2.211 . 0 0 "[ ]" 1
286 1 22 LEU MD2 1 23 LEU H 3.650 . 5.500 3.788 3.788 3.788 . 0 0 "[ ]" 1
287 1 20 ASN HB3 1 20 ASN HD22 3.650 . 5.500 3.565 3.565 3.565 . 0 0 "[ ]" 1
288 1 20 ASN HB2 1 21 GLN HB2 3.650 . 5.500 5.342 5.342 5.342 . 0 0 "[ ]" 1
289 1 16 LYS HD2 1 20 ASN HB2 3.650 . 5.500 2.146 2.146 2.146 . 0 0 "[ ]" 1
290 1 33 ILE HG12 1 33 ILE MG 2.650 . 3.500 3.181 3.181 3.181 . 0 0 "[ ]" 1
291 1 20 ASN HB2 1 22 LEU H 3.650 . 5.500 5.373 5.373 5.373 . 0 0 "[ ]" 1
292 1 14 ARG HA 1 14 ARG HD3 3.650 . 5.500 3.486 3.486 3.486 . 0 0 "[ ]" 1
293 1 22 LEU HA 1 22 LEU HB3 2.650 . 3.500 3.018 3.018 3.018 . 0 0 "[ ]" 1
294 1 22 LEU HB3 1 23 LEU H 2.650 . 3.500 2.340 2.340 2.340 . 0 0 "[ ]" 1
295 1 20 ASN HA 1 20 ASN HB3 2.650 . 3.500 3.006 3.006 3.006 . 0 0 "[ ]" 1
296 1 17 GLN HA 1 20 ASN HB3 2.650 . 3.500 3.219 3.219 3.219 . 0 0 "[ ]" 1
297 1 21 GLN HA 1 21 GLN HB3 2.300 . 2.800 2.780 2.780 2.780 . 0 0 "[ ]" 1
298 1 21 GLN HA 1 21 GLN HG3 2.300 . 2.800 2.803 2.803 2.803 0.003 1 0 "[ ]" 1
299 1 7 TYR HA 1 7 TYR HD1 3.650 . 5.500 2.671 2.671 2.671 . 0 0 "[ ]" 1
300 1 7 TYR HA 1 7 TYR HB3 2.650 . 3.500 2.829 2.829 2.829 . 0 0 "[ ]" 1
301 1 6 PHE H 1 6 PHE HB3 3.650 . 5.500 3.392 3.392 3.392 . 0 0 "[ ]" 1
302 1 6 PHE HB2 1 6 PHE HD2 3.650 . 5.500 3.338 3.338 3.338 . 0 0 "[ ]" 1
303 1 6 PHE HA 1 6 PHE HB2 2.650 . 3.500 2.923 2.923 2.923 . 0 0 "[ ]" 1
304 1 6 PHE HA 1 6 PHE HB3 2.300 . 2.800 2.769 2.769 2.769 . 0 0 "[ ]" 1
305 1 8 ARG HA 1 8 ARG HG3 . . 3.600 3.531 3.531 3.531 . 0 0 "[ ]" 1
306 1 8 ARG HA 1 8 ARG HG2 3.650 . 5.500 2.219 2.219 2.219 . 0 0 "[ ]" 1
307 1 8 ARG H 1 8 ARG HB3 2.650 . 3.500 3.437 3.437 3.437 . 0 0 "[ ]" 1
308 1 24 SER HA 1 24 SER HB3 2.300 . 2.800 2.579 2.579 2.579 . 0 0 "[ ]" 1
309 1 8 ARG H 1 8 ARG HG3 3.650 . 5.500 3.701 3.701 3.701 . 0 0 "[ ]" 1
310 1 5 ASP HA 1 8 ARG HB3 3.650 . 5.500 3.784 3.784 3.784 . 0 0 "[ ]" 1
311 1 2 PRO HA 1 2 PRO HG3 3.650 . 5.500 4.028 4.028 4.028 . 0 0 "[ ]" 1
312 1 2 PRO HB2 1 2 PRO HG2 2.300 . 2.800 2.322 2.322 2.322 . 0 0 "[ ]" 1
313 1 38 ALA HA 1 38 ALA MB 2.300 . 2.800 2.079 2.079 2.079 . 0 0 "[ ]" 1
314 1 2 PRO HD2 1 2 PRO HG2 2.650 . 3.500 2.305 2.305 2.305 . 0 0 "[ ]" 1
315 1 6 PHE HB3 1 6 PHE HD2 3.650 . 5.500 2.291 2.291 2.291 . 0 0 "[ ]" 1
316 1 38 ALA HA 1 39 LYS H 3.650 . 5.500 3.547 3.547 3.547 . 0 0 "[ ]" 1
317 1 4 ALA H 1 4 ALA MB 2.650 . 2.800 2.161 2.161 2.161 . 0 0 "[ ]" 1
318 1 8 ARG HB3 1 8 ARG HG3 2.300 . 2.800 2.694 2.694 2.694 . 0 0 "[ ]" 1
319 1 11 VAL HB 1 11 VAL MG1 2.300 . 2.800 2.125 2.125 2.125 . 0 0 "[ ]" 1
320 1 8 ARG HA 1 11 VAL HB 3.650 . 5.500 2.664 2.664 2.664 . 0 0 "[ ]" 1
321 1 11 VAL HA 1 11 VAL MG1 2.300 . 2.800 2.708 2.708 2.708 . 0 0 "[ ]" 1
322 1 40 ARG HA 1 40 ARG HB3 2.650 . 3.500 2.949 2.949 2.949 . 0 0 "[ ]" 1
323 1 12 ARG HD3 1 12 ARG HG3 2.650 . 3.500 2.949 2.949 2.949 . 0 0 "[ ]" 1
324 1 12 ARG H 1 12 ARG HG3 3.650 . 5.500 3.934 3.934 3.934 . 0 0 "[ ]" 1
325 1 11 VAL HB 1 11 VAL MG2 2.300 . 2.800 2.107 2.107 2.107 . 0 0 "[ ]" 1
326 1 40 ARG HB3 1 40 ARG HG3 2.300 . 2.800 2.775 2.775 2.775 . 0 0 "[ ]" 1
327 1 40 ARG HB3 1 40 ARG HD3 3.650 . 5.500 2.587 2.587 2.587 . 0 0 "[ ]" 1
328 1 40 ARG HB2 1 42 PHE HB3 3.650 . 5.500 4.839 4.839 4.839 . 0 0 "[ ]" 1
329 1 42 PHE HA 1 42 PHE HB3 2.650 . 3.500 3.011 3.011 3.011 . 0 0 "[ ]" 1
330 1 8 ARG HB2 1 8 ARG HG2 2.300 . 2.800 2.704 2.704 2.704 . 0 0 "[ ]" 1
331 1 42 PHE HB2 1 42 PHE HD2 2.650 . 3.500 3.274 3.274 3.274 . 0 0 "[ ]" 1
332 1 9 PHE H 1 9 PHE HB3 3.650 . 5.500 3.588 3.588 3.588 . 0 0 "[ ]" 1
333 1 30 GLN HG2 1 31 GLU H 3.650 . 5.500 5.013 5.013 5.013 . 0 0 "[ ]" 1
334 1 10 GLN HA 1 10 GLN HB3 2.650 . 3.500 2.583 2.583 2.583 . 0 0 "[ ]" 1
335 1 30 GLN HA 1 30 GLN HG3 2.650 . 3.500 3.548 3.548 3.548 0.048 1 0 "[ ]" 1
336 1 31 GLU HA 1 31 GLU HB3 2.300 . 2.800 2.682 2.682 2.682 . 0 0 "[ ]" 1
337 1 26 PHE HA 1 26 PHE HB2 2.300 . 2.800 2.807 2.807 2.807 0.007 1 0 "[ ]" 1
338 1 10 GLN H 1 10 GLN HA 2.300 . 2.800 2.791 2.791 2.791 . 0 0 "[ ]" 1
339 1 31 GLU HA 1 31 GLU HG3 2.300 . 2.800 2.306 2.306 2.306 . 0 0 "[ ]" 1
340 1 25 LYS HB3 1 25 LYS HG3 2.300 . 3.000 2.520 2.520 2.520 . 0 0 "[ ]" 1
341 1 27 LYS HA 1 28 GLU H 2.650 . 3.500 3.532 3.532 3.532 0.032 1 0 "[ ]" 1
342 1 8 ARG HA 1 8 ARG HB3 2.650 . 3.500 2.730 2.730 2.730 . 0 0 "[ ]" 1
343 1 27 LYS HA 1 27 LYS HB3 2.300 . 2.800 2.731 2.731 2.731 . 0 0 "[ ]" 1
344 1 33 ILE MG 1 37 LYS HB3 3.650 . 5.500 4.935 4.935 4.935 . 0 0 "[ ]" 1
345 1 30 GLN HA 1 33 ILE HB 3.650 . 5.500 2.469 2.469 2.469 . 0 0 "[ ]" 1
346 1 27 LYS HA 1 27 LYS HG3 2.650 . 3.500 2.224 2.224 2.224 . 0 0 "[ ]" 1
347 1 30 GLN HA 1 30 GLN HB3 2.300 . 2.800 2.759 2.759 2.759 . 0 0 "[ ]" 1
348 1 34 LYS HB2 1 35 VAL MG2 3.650 . 5.500 3.494 3.494 3.494 . 0 0 "[ ]" 1
349 1 35 VAL HB 1 35 VAL MG1 2.300 . 2.800 2.107 2.107 2.107 . 0 0 "[ ]" 1
350 1 11 VAL MG1 1 12 ARG HB2 2.650 . 3.500 3.525 3.525 3.525 0.025 1 0 "[ ]" 1
351 1 43 ASN HA 1 44 PRO HD3 3.650 . 5.500 2.088 2.088 2.088 . 0 0 "[ ]" 1
352 1 43 ASN HA 1 44 PRO HD2 3.650 . 5.500 2.441 2.441 2.441 . 0 0 "[ ]" 1
353 1 45 TYR HA 1 45 TYR HB2 2.650 . 3.500 2.602 2.602 2.602 . 0 0 "[ ]" 1
354 1 44 PRO HB2 1 44 PRO HD3 3.650 . 5.500 3.880 3.880 3.880 . 0 0 "[ ]" 1
355 1 44 PRO HD2 1 45 TYR HA 3.650 . 5.500 5.509 5.509 5.509 0.009 1 0 "[ ]" 1
356 1 38 ALA H 1 38 ALA MB . . 2.800 2.852 2.852 2.852 0.052 1 0 "[ ]" 1
357 1 24 SER HA 1 27 LYS HD2 3.650 . 5.500 2.589 2.589 2.589 . 0 0 "[ ]" 1
358 1 35 VAL HA 1 38 ALA MB 3.650 . 5.500 4.555 4.555 4.555 . 0 0 "[ ]" 1
359 1 3 GLU HG3 1 4 ALA H 3.650 . 5.500 4.294 4.294 4.294 . 0 0 "[ ]" 1
360 1 3 GLU HA 1 4 ALA H 2.650 . 3.500 3.548 3.548 3.548 0.048 1 0 "[ ]" 1
361 1 21 GLN HB2 1 21 GLN HG2 2.300 . 3.000 2.996 2.996 2.996 . 0 0 "[ ]" 1
362 1 30 GLN HB2 1 30 GLN HG2 2.300 . 2.800 2.383 2.383 2.383 . 0 0 "[ ]" 1
363 1 37 LYS HA 1 38 ALA H 2.650 . 3.500 3.488 3.488 3.488 . 0 0 "[ ]" 1
364 1 37 LYS HB2 1 38 ALA H 2.650 . 3.500 3.216 3.216 3.216 . 0 0 "[ ]" 1
365 1 3 GLU HB3 1 4 ALA H 2.650 . 3.500 3.508 3.508 3.508 0.008 1 0 "[ ]" 1
366 1 35 VAL HA 1 38 ALA H 3.650 . 5.500 3.331 3.331 3.331 . 0 0 "[ ]" 1
367 1 36 MET HA 1 36 MET HG3 3.650 . 5.500 3.853 3.853 3.853 . 0 0 "[ ]" 1
368 1 23 LEU HA 1 23 LEU HB2 2.300 . 3.000 2.946 2.946 2.946 . 0 0 "[ ]" 1
369 1 36 MET HA 1 36 MET ME 2.650 . 3.500 2.109 2.109 2.109 . 0 0 "[ ]" 1
370 1 8 ARG HA 1 9 PHE H 3.650 . 5.500 3.568 3.568 3.568 . 0 0 "[ ]" 1
371 1 8 ARG HA 1 11 VAL MG2 2.650 . 3.500 3.382 3.382 3.382 . 0 0 "[ ]" 1
372 1 31 GLU HB2 1 31 GLU HG2 2.300 . 3.000 2.944 2.944 2.944 . 0 0 "[ ]" 1
373 1 10 GLN HG2 1 11 VAL MG2 3.650 . 5.500 3.945 3.945 3.945 . 0 0 "[ ]" 1
374 1 10 GLN HG2 1 11 VAL HA 3.650 . 5.500 4.980 4.980 4.980 . 0 0 "[ ]" 1
375 1 29 ASP HA 1 32 ARG HB3 3.650 . 5.500 4.176 4.176 4.176 . 0 0 "[ ]" 1
376 1 3 GLU HG2 1 4 ALA H 3.650 . 5.500 3.941 3.941 3.941 . 0 0 "[ ]" 1
377 1 32 ARG HB2 1 32 ARG HD2 2.650 . 3.500 2.675 2.675 2.675 . 0 0 "[ ]" 1
378 1 32 ARG HB2 1 33 ILE H 3.650 . 5.500 3.572 3.572 3.572 . 0 0 "[ ]" 1
379 1 32 ARG HA 1 32 ARG HB3 2.300 . 2.800 2.441 2.441 2.441 . 0 0 "[ ]" 1
380 1 29 ASP HA 1 29 ASP HB2 2.650 . 3.500 3.022 3.022 3.022 . 0 0 "[ ]" 1
381 1 29 ASP HB2 1 33 ILE MD 3.650 . 5.500 5.221 5.221 5.221 . 0 0 "[ ]" 1
382 1 32 ARG HA 1 35 VAL HB 3.650 . 5.500 2.871 2.871 2.871 . 0 0 "[ ]" 1
383 1 36 MET H 1 36 MET HB3 3.650 . 5.500 3.584 3.584 3.584 . 0 0 "[ ]" 1
384 1 34 LYS HA 1 34 LYS HD3 2.650 . 3.500 3.481 3.481 3.481 . 0 0 "[ ]" 1
385 1 34 LYS H 1 34 LYS HB3 2.650 . 3.500 3.526 3.526 3.526 0.026 1 0 "[ ]" 1
386 1 28 GLU H 1 28 GLU HB3 2.650 . 3.500 3.502 3.502 3.502 0.002 1 0 "[ ]" 1
387 1 31 GLU HB2 1 32 ARG H 3.650 . 5.500 2.629 2.629 2.629 . 0 0 "[ ]" 1
388 1 26 PHE HB3 1 26 PHE HD1 3.650 . 5.500 2.759 2.759 2.759 . 0 0 "[ ]" 1
389 1 29 ASP H 1 29 ASP HB3 3.650 . 5.500 3.594 3.594 3.594 . 0 0 "[ ]" 1
390 1 29 ASP HB3 1 30 GLN H 3.650 . 5.500 3.856 3.856 3.856 . 0 0 "[ ]" 1
391 1 3 GLU HB2 1 4 ALA H 2.300 . 2.800 2.219 2.219 2.219 . 0 0 "[ ]" 1
392 1 28 GLU HA 1 28 GLU HB3 2.300 . 2.800 2.680 2.680 2.680 . 0 0 "[ ]" 1
393 1 28 GLU HB3 1 28 GLU HG3 2.300 . 2.800 2.773 2.773 2.773 . 0 0 "[ ]" 1
394 1 36 MET HA 1 36 MET HB3 2.650 . 3.500 2.425 2.425 2.425 . 0 0 "[ ]" 1
395 1 44 PRO HB3 1 44 PRO HG2 2.650 . 3.500 2.670 2.670 2.670 . 0 0 "[ ]" 1
396 1 43 ASN HB2 1 44 PRO HD2 3.650 . 5.500 5.095 5.095 5.095 . 0 0 "[ ]" 1
397 1 33 ILE MG 1 34 LYS HG2 2.650 . 3.500 3.516 3.516 3.516 0.016 1 0 "[ ]" 1
398 1 34 LYS HG3 1 35 VAL MG2 3.650 . 5.500 5.359 5.359 5.359 . 0 0 "[ ]" 1
399 1 35 VAL HB 1 35 VAL MG2 2.300 . 2.800 2.088 2.088 2.088 . 0 0 "[ ]" 1
400 1 35 VAL H 1 35 VAL MG1 3.650 . 5.500 3.768 3.768 3.768 . 0 0 "[ ]" 1
401 1 34 LYS HA 1 35 VAL MG2 3.650 . 5.500 4.958 4.958 4.958 . 0 0 "[ ]" 1
402 1 35 VAL HA 1 35 VAL MG2 2.650 . 3.500 2.363 2.363 2.363 . 0 0 "[ ]" 1
403 1 36 MET HA 1 36 MET HG2 3.650 . 5.500 2.960 2.960 2.960 . 0 0 "[ ]" 1
404 1 32 ARG HG2 1 36 MET HG2 3.650 . 5.500 5.528 5.528 5.528 0.028 1 0 "[ ]" 1
405 1 32 ARG HG2 1 36 MET HG3 3.650 . 5.500 5.532 5.532 5.532 0.032 1 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 40
_Distance_constraint_stats_list.Viol_count 21
_Distance_constraint_stats_list.Viol_total 0.230
_Distance_constraint_stats_list.Viol_max 0.038
_Distance_constraint_stats_list.Viol_rms 0.0090
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0057
_Distance_constraint_stats_list.Viol_average_violations_only 0.0109
_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 3 GLU 0.007 0.007 1 0 "[ ]"
1 4 ALA 0.011 0.006 1 0 "[ ]"
1 5 ASP 0.001 0.001 1 0 "[ ]"
1 6 PHE 0.008 0.008 1 0 "[ ]"
1 7 TYR 0.036 0.020 1 0 "[ ]"
1 8 ARG 0.023 0.013 1 0 "[ ]"
1 9 PHE 0.001 0.001 1 0 "[ ]"
1 10 GLN 0.008 0.008 1 0 "[ ]"
1 11 VAL 0.030 0.020 1 0 "[ ]"
1 12 ARG 0.013 0.013 1 0 "[ ]"
1 19 ILE 0.003 0.003 1 0 "[ ]"
1 20 ASN 0.001 0.001 1 0 "[ ]"
1 21 GLN 0.000 0.000 . 0 "[ ]"
1 22 LEU 0.006 0.006 1 0 "[ ]"
1 23 LEU 0.003 0.003 1 0 "[ ]"
1 24 SER 0.011 0.010 1 0 "[ ]"
1 25 LYS 0.005 0.005 1 0 "[ ]"
1 26 PHE 0.012 0.006 1 0 "[ ]"
1 27 LYS 0.007 0.006 1 0 "[ ]"
1 28 GLU 0.024 0.014 1 0 "[ ]"
1 29 ASP 0.021 0.016 1 0 "[ ]"
1 30 GLN 0.030 0.024 1 0 "[ ]"
1 31 GLU 0.037 0.030 1 0 "[ ]"
1 32 ARG 0.052 0.038 1 0 "[ ]"
1 33 ILE 0.016 0.016 1 0 "[ ]"
1 34 LYS 0.024 0.024 1 0 "[ ]"
1 35 VAL 0.030 0.030 1 0 "[ ]"
1 36 MET 0.038 0.038 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 3 GLU O 1 7 TYR H 2.000 . 2.100 2.107 2.107 2.107 0.007 1 0 "[ ]" 2
2 1 3 GLU O 1 7 TYR N 3.000 2.900 3.100 3.079 3.079 3.079 . 0 0 "[ ]" 2
3 1 4 ALA O 1 8 ARG H 2.000 . 2.100 2.106 2.106 2.106 0.006 1 0 "[ ]" 2
4 1 4 ALA O 1 8 ARG N 3.000 2.900 3.100 2.895 2.895 2.895 0.005 1 0 "[ ]" 2
5 1 5 ASP O 1 9 PHE H 2.000 . 2.100 2.101 2.101 2.101 0.001 1 0 "[ ]" 2
6 1 5 ASP O 1 9 PHE N 3.000 2.900 3.100 3.081 3.081 3.081 . 0 0 "[ ]" 2
7 1 6 PHE O 1 10 GLN H 2.000 . 2.100 1.943 1.943 1.943 . 0 0 "[ ]" 2
8 1 6 PHE O 1 10 GLN N 3.000 2.900 3.100 2.892 2.892 2.892 0.008 1 0 "[ ]" 2
9 1 7 TYR O 1 11 VAL H 2.000 . 2.100 2.120 2.120 2.120 0.020 1 0 "[ ]" 2
10 1 7 TYR O 1 11 VAL N 3.000 2.900 3.100 2.890 2.890 2.890 0.010 1 0 "[ ]" 2
11 1 8 ARG O 1 12 ARG H 2.000 . 2.100 2.113 2.113 2.113 0.013 1 0 "[ ]" 2
12 1 8 ARG O 1 12 ARG N 3.000 2.900 3.100 3.086 3.086 3.086 . 0 0 "[ ]" 2
13 1 19 ILE O 1 23 LEU H 2.000 . 2.100 1.939 1.939 1.939 . 0 0 "[ ]" 2
14 1 19 ILE O 1 23 LEU N 3.000 2.900 3.100 2.897 2.897 2.897 0.003 1 0 "[ ]" 2
15 1 20 ASN O 1 24 SER H 2.000 . 2.100 2.101 2.101 2.101 0.001 1 0 "[ ]" 2
16 1 20 ASN O 1 24 SER N 3.000 2.900 3.100 3.035 3.035 3.035 . 0 0 "[ ]" 2
17 1 21 GLN O 1 25 LYS H 2.000 . 2.100 2.065 2.065 2.065 . 0 0 "[ ]" 2
18 1 21 GLN O 1 25 LYS N 3.000 2.900 3.100 2.961 2.961 2.961 . 0 0 "[ ]" 2
19 1 22 LEU O 1 26 PHE H 2.000 . 2.100 2.106 2.106 2.106 0.006 1 0 "[ ]" 2
20 1 22 LEU O 1 26 PHE N 3.000 2.900 3.100 3.070 3.070 3.070 . 0 0 "[ ]" 2
21 1 23 LEU O 1 27 LYS H 2.000 . 2.100 1.987 1.987 1.987 . 0 0 "[ ]" 2
22 1 23 LEU O 1 27 LYS N 3.000 2.900 3.100 2.906 2.906 2.906 . 0 0 "[ ]" 2
23 1 24 SER O 1 28 GLU H 2.000 . 2.100 2.110 2.110 2.110 0.010 1 0 "[ ]" 2
24 1 24 SER O 1 28 GLU N 3.000 2.900 3.100 3.034 3.034 3.034 . 0 0 "[ ]" 2
25 1 25 LYS O 1 29 ASP H 2.000 . 2.100 2.105 2.105 2.105 0.005 1 0 "[ ]" 2
26 1 25 LYS O 1 29 ASP N 3.000 2.900 3.100 3.032 3.032 3.032 . 0 0 "[ ]" 2
27 1 26 PHE O 1 30 GLN H 2.000 . 2.100 2.106 2.106 2.106 0.006 1 0 "[ ]" 2
28 1 26 PHE O 1 30 GLN N 3.000 2.900 3.100 2.971 2.971 2.971 . 0 0 "[ ]" 2
29 1 27 LYS O 1 31 GLU H 2.000 . 2.100 2.106 2.106 2.106 0.006 1 0 "[ ]" 2
30 1 27 LYS O 1 31 GLU N 3.000 2.900 3.100 2.899 2.899 2.899 0.001 1 0 "[ ]" 2
31 1 28 GLU O 1 32 ARG H 2.000 . 2.100 2.114 2.114 2.114 0.014 1 0 "[ ]" 2
32 1 28 GLU O 1 32 ARG N 3.000 2.900 3.100 3.080 3.080 3.080 . 0 0 "[ ]" 2
33 1 29 ASP O 1 33 ILE H 2.000 . 2.100 1.954 1.954 1.954 . 0 0 "[ ]" 2
34 1 29 ASP O 1 33 ILE N 3.000 2.900 3.100 2.884 2.884 2.884 0.016 1 0 "[ ]" 2
35 1 30 GLN O 1 34 LYS H 2.000 . 2.100 2.124 2.124 2.124 0.024 1 0 "[ ]" 2
36 1 30 GLN O 1 34 LYS N 3.000 2.900 3.100 3.009 3.009 3.009 . 0 0 "[ ]" 2
37 1 31 GLU O 1 35 VAL H 2.000 . 2.100 2.130 2.130 2.130 0.030 1 0 "[ ]" 2
38 1 31 GLU O 1 35 VAL N 3.000 2.900 3.100 3.066 3.066 3.066 . 0 0 "[ ]" 2
39 1 32 ARG O 1 36 MET H 2.000 . 2.100 1.914 1.914 1.914 . 0 0 "[ ]" 2
40 1 32 ARG O 1 36 MET N 3.000 2.900 3.100 2.862 2.862 2.862 0.038 1 0 "[ ]" 2
stop_
save_
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