NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
620968 |
5tx8   |
30204 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5tx8
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 238
_Distance_constraint_stats_list.Viol_count 151
_Distance_constraint_stats_list.Viol_total 24.244
_Distance_constraint_stats_list.Viol_max 0.033
_Distance_constraint_stats_list.Viol_rms 0.0019
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0080
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 GLU 0.063 0.031 5 0 "[ . 1 . 2]"
1 3 ASP 0.153 0.031 5 0 "[ . 1 . 2]"
1 4 CYS 0.018 0.010 8 0 "[ . 1 . 2]"
1 5 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 ARG 0.053 0.013 5 0 "[ . 1 . 2]"
1 7 ILE 0.074 0.013 19 0 "[ . 1 . 2]"
1 8 ARG 0.262 0.023 13 0 "[ . 1 . 2]"
1 9 LYS 0.258 0.016 16 0 "[ . 1 . 2]"
1 10 GLU 0.177 0.033 3 0 "[ . 1 . 2]"
1 11 LEU 0.274 0.024 3 0 "[ . 1 . 2]"
1 12 GLU 0.166 0.033 19 0 "[ . 1 . 2]"
1 13 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 PRO 0.009 0.003 2 0 "[ . 1 . 2]"
1 16 ASN 0.055 0.015 12 0 "[ . 1 . 2]"
1 17 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ILE 0.044 0.012 8 0 "[ . 1 . 2]"
1 20 LYS 0.175 0.024 3 0 "[ . 1 . 2]"
1 21 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 LYS 0.014 0.010 20 0 "[ . 1 . 2]"
1 23 LEU 0.138 0.023 13 0 "[ . 1 . 2]"
1 24 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 LYS 0.003 0.003 10 0 "[ . 1 . 2]"
1 26 CYS 0.045 0.013 19 0 "[ . 1 . 2]"
1 27 GLN 0.047 0.011 13 0 "[ . 1 . 2]"
1 28 ALA 0.022 0.008 4 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 15 PRO HA 1 16 ASN H 3.560 . 3.560 2.388 2.148 2.828 . 0 0 "[ . 1 . 2]" 1
2 1 7 ILE HA 1 10 GLU H 4.230 . 4.230 3.378 3.049 3.657 . 0 0 "[ . 1 . 2]" 1
3 1 7 ILE HA 1 11 LEU H 5.100 . 5.100 4.068 3.818 4.303 . 0 0 "[ . 1 . 2]" 1
4 1 7 ILE HA 1 10 GLU HB2 4.310 . 4.310 2.823 2.113 3.748 . 0 0 "[ . 1 . 2]" 1
5 1 7 ILE HA 1 10 GLU HB3 4.310 . 4.310 3.619 2.373 4.323 0.013 19 0 "[ . 1 . 2]" 1
6 1 7 ILE HA 1 7 ILE HG12 4.000 . 4.000 2.574 2.459 2.770 . 0 0 "[ . 1 . 2]" 1
7 1 7 ILE HA 1 7 ILE HG13 4.000 . 4.000 3.073 2.950 3.150 . 0 0 "[ . 1 . 2]" 1
8 1 7 ILE HA 1 7 ILE MG 3.480 . 3.480 2.407 2.282 2.498 . 0 0 "[ . 1 . 2]" 1
9 1 7 ILE H 1 7 ILE HB 3.480 . 3.480 2.586 2.470 2.749 . 0 0 "[ . 1 . 2]" 1
10 1 7 ILE H 1 7 ILE HG12 4.260 . 4.260 3.269 3.071 3.446 . 0 0 "[ . 1 . 2]" 1
11 1 7 ILE H 1 7 ILE HG13 4.260 . 4.260 2.027 1.808 2.210 . 0 0 "[ . 1 . 2]" 1
12 1 7 ILE MG 1 8 ARG H 4.400 . 4.400 3.488 3.233 3.729 . 0 0 "[ . 1 . 2]" 1
13 1 7 ILE MG 1 23 LEU H 4.720 . 4.720 2.964 2.229 3.680 . 0 0 "[ . 1 . 2]" 1
14 1 7 ILE MG 1 23 LEU HA 3.870 . 3.870 2.574 2.021 3.185 . 0 0 "[ . 1 . 2]" 1
15 1 7 ILE H 1 7 ILE MD 4.620 . 4.620 3.556 3.411 3.629 . 0 0 "[ . 1 . 2]" 1
16 1 4 CYS HA 1 7 ILE MD 4.000 . 4.000 2.647 2.133 3.715 . 0 0 "[ . 1 . 2]" 1
17 1 7 ILE MD 1 23 LEU HA 4.410 . 4.410 3.034 2.074 3.740 . 0 0 "[ . 1 . 2]" 1
18 1 7 ILE HA 1 7 ILE MD 4.290 . 4.290 3.857 3.802 3.940 . 0 0 "[ . 1 . 2]" 1
19 1 7 ILE MD 1 26 CYS HB2 4.600 . 4.600 2.810 2.040 4.024 . 0 0 "[ . 1 . 2]" 1
20 1 7 ILE MD 1 26 CYS HB3 4.600 . 4.600 3.195 2.099 4.601 0.001 11 0 "[ . 1 . 2]" 1
21 1 7 ILE HB 1 7 ILE MD 3.320 . 3.320 2.435 2.361 2.463 . 0 0 "[ . 1 . 2]" 1
22 1 19 ILE HA 1 19 ILE MD 3.750 . 3.750 2.264 1.968 3.121 . 0 0 "[ . 1 . 2]" 1
23 1 19 ILE HB 1 19 ILE MD 3.660 . 3.660 3.039 2.389 3.251 . 0 0 "[ . 1 . 2]" 1
24 1 19 ILE HA 1 19 ILE MG 3.640 . 3.640 2.421 2.335 2.595 . 0 0 "[ . 1 . 2]" 1
25 1 11 LEU HA 1 19 ILE MG 4.070 . 4.070 2.735 2.176 3.428 . 0 0 "[ . 1 . 2]" 1
26 1 19 ILE MG 1 20 LYS H 4.400 . 4.400 3.478 3.181 3.722 . 0 0 "[ . 1 . 2]" 1
27 1 19 ILE H 1 19 ILE MG 3.960 . 3.960 3.776 3.719 3.818 . 0 0 "[ . 1 . 2]" 1
28 1 19 ILE H 1 19 ILE HB 3.560 . 3.560 2.560 2.342 2.724 . 0 0 "[ . 1 . 2]" 1
29 1 16 ASN H 1 19 ILE HB 4.740 . 4.740 3.238 2.791 3.796 . 0 0 "[ . 1 . 2]" 1
30 1 19 ILE H 1 19 ILE HG12 4.130 . 4.130 2.498 1.946 3.872 . 0 0 "[ . 1 . 2]" 1
31 1 19 ILE H 1 19 ILE HG13 4.130 . 4.130 3.540 3.279 3.659 . 0 0 "[ . 1 . 2]" 1
32 1 19 ILE HA 1 22 LYS H 4.270 . 4.270 3.337 3.105 3.716 . 0 0 "[ . 1 . 2]" 1
33 1 1 ALA MB 1 2 GLU H 4.300 . 4.300 3.060 1.913 3.667 . 0 0 "[ . 1 . 2]" 1
34 1 28 ALA H 1 28 ALA MB 3.620 . 3.620 2.467 2.237 2.840 . 0 0 "[ . 1 . 2]" 1
35 1 26 CYS HB2 1 27 GLN H 4.840 . 4.840 3.970 3.274 4.550 . 0 0 "[ . 1 . 2]" 1
36 1 23 LEU HA 1 26 CYS HB2 4.530 . 4.530 3.289 1.913 4.476 . 0 0 "[ . 1 . 2]" 1
37 1 23 LEU HA 1 26 CYS HB3 4.530 . 4.530 2.871 2.136 4.334 . 0 0 "[ . 1 . 2]" 1
38 1 26 CYS HB3 1 27 GLN H 4.840 . 4.840 3.632 2.280 4.590 . 0 0 "[ . 1 . 2]" 1
39 1 4 CYS HB2 1 5 GLU H 4.660 . 4.660 2.710 2.344 3.755 . 0 0 "[ . 1 . 2]" 1
40 1 4 CYS HA 1 7 ILE HB 3.940 . 3.940 2.811 2.550 3.169 . 0 0 "[ . 1 . 2]" 1
41 1 4 CYS HA 1 7 ILE H 4.580 . 4.580 3.497 3.290 3.889 . 0 0 "[ . 1 . 2]" 1
42 1 16 ASN HB3 1 17 ASP H 4.310 . 4.310 3.541 2.866 4.200 . 0 0 "[ . 1 . 2]" 1
43 1 3 ASP H 1 3 ASP HB3 4.040 . 4.040 3.281 2.485 4.064 0.024 14 0 "[ . 1 . 2]" 1
44 1 3 ASP HB2 1 6 ARG HB2 5.500 . 5.500 3.695 1.838 5.070 . 0 0 "[ . 1 . 2]" 1
45 1 3 ASP HB2 1 6 ARG HB3 5.500 . 5.500 4.040 2.391 5.507 0.007 7 0 "[ . 1 . 2]" 1
46 1 3 ASP HB3 1 6 ARG HB2 5.500 . 5.500 3.476 2.222 5.513 0.013 5 0 "[ . 1 . 2]" 1
47 1 3 ASP HB3 1 6 ARG HB3 5.500 . 5.500 3.883 1.838 5.510 0.010 8 0 "[ . 1 . 2]" 1
48 1 17 ASP H 1 17 ASP HB2 4.170 . 4.170 2.627 2.374 3.605 . 0 0 "[ . 1 . 2]" 1
49 1 17 ASP H 1 17 ASP HB3 4.170 . 4.170 3.227 2.422 3.614 . 0 0 "[ . 1 . 2]" 1
50 1 17 ASP HB2 1 18 GLU H 4.770 . 4.770 2.972 2.157 4.070 . 0 0 "[ . 1 . 2]" 1
51 1 17 ASP HB3 1 18 GLU H 4.770 . 4.770 3.320 2.254 4.065 . 0 0 "[ . 1 . 2]" 1
52 1 11 LEU HA 1 11 LEU MD1 4.030 . 4.030 2.566 1.970 3.851 . 0 0 "[ . 1 . 2]" 1
53 1 23 LEU HA 1 26 CYS H 4.690 . 4.690 3.486 2.895 4.690 . 0 0 "[ . 1 . 2]" 1
54 1 23 LEU HA 1 23 LEU MD1 4.530 . 4.530 3.169 1.930 3.828 . 0 0 "[ . 1 . 2]" 1
55 1 8 ARG HA 1 11 LEU HB2 4.360 . 4.360 3.350 2.492 3.890 . 0 0 "[ . 1 . 2]" 1
56 1 11 LEU HB3 1 12 GLU H 4.770 . 4.770 2.747 2.423 3.594 . 0 0 "[ . 1 . 2]" 1
57 1 23 LEU H 1 23 LEU HB2 3.780 . 3.780 2.371 2.158 2.721 . 0 0 "[ . 1 . 2]" 1
58 1 20 LYS HA 1 23 LEU HB2 4.410 . 4.410 3.251 2.831 3.889 . 0 0 "[ . 1 . 2]" 1
59 1 23 LEU HB3 1 24 GLU H 4.640 . 4.640 2.729 2.300 3.656 . 0 0 "[ . 1 . 2]" 1
60 1 11 LEU H 1 11 LEU HG 4.750 . 4.750 4.389 2.522 4.622 . 0 0 "[ . 1 . 2]" 1
61 1 8 ARG H 1 23 LEU HG 5.230 . 5.230 4.335 3.378 5.242 0.012 19 0 "[ . 1 . 2]" 1
62 1 23 LEU HA 1 23 LEU MD2 4.530 . 4.530 2.734 1.841 3.902 . 0 0 "[ . 1 . 2]" 1
63 1 8 ARG HA 1 23 LEU MD2 4.310 . 4.310 3.129 1.836 4.314 0.004 17 0 "[ . 1 . 2]" 1
64 1 11 LEU HA 1 11 LEU MD2 4.030 . 4.030 3.132 1.906 3.924 . 0 0 "[ . 1 . 2]" 1
65 1 11 LEU MD2 1 20 LYS H 4.670 . 4.670 3.472 2.510 4.432 . 0 0 "[ . 1 . 2]" 1
66 1 8 ARG HA 1 23 LEU MD1 4.310 . 4.310 2.877 1.822 4.321 0.011 6 0 "[ . 1 . 2]" 1
67 1 8 ARG HA 1 11 LEU H 4.530 . 4.530 3.460 3.105 3.830 . 0 0 "[ . 1 . 2]" 1
68 1 8 ARG HA 1 8 ARG HG2 4.040 . 4.040 2.947 2.247 3.794 . 0 0 "[ . 1 . 2]" 1
69 1 8 ARG HA 1 8 ARG HG3 4.040 . 4.040 2.863 2.407 3.830 . 0 0 "[ . 1 . 2]" 1
70 1 8 ARG HA 1 11 LEU HB3 4.360 . 4.360 2.907 2.290 4.061 . 0 0 "[ . 1 . 2]" 1
71 1 8 ARG H 1 8 ARG HB2 3.640 . 3.640 2.423 2.275 2.611 . 0 0 "[ . 1 . 2]" 1
72 1 8 ARG HB3 1 9 LYS HA 4.160 . 4.160 4.114 3.932 4.174 0.014 17 0 "[ . 1 . 2]" 1
73 1 20 LYS HA 1 23 LEU H 4.580 . 4.580 3.552 3.225 3.888 . 0 0 "[ . 1 . 2]" 1
74 1 11 LEU MD1 1 20 LYS HA 4.120 . 4.120 2.781 1.982 3.813 . 0 0 "[ . 1 . 2]" 1
75 1 11 LEU MD2 1 20 LYS HA 4.120 . 4.120 2.379 1.814 3.749 . 0 0 "[ . 1 . 2]" 1
76 1 20 LYS HA 1 23 LEU HB3 4.410 . 4.410 3.192 2.442 4.416 0.006 3 0 "[ . 1 . 2]" 1
77 1 11 LEU HG 1 20 LYS HA 4.440 . 4.440 3.768 2.046 4.464 0.024 3 0 "[ . 1 . 2]" 1
78 1 6 ARG HA 1 6 ARG HG2 4.150 . 4.150 3.246 2.418 3.758 . 0 0 "[ . 1 . 2]" 1
79 1 6 ARG HA 1 6 ARG HG3 4.150 . 4.150 3.049 2.423 3.914 . 0 0 "[ . 1 . 2]" 1
80 1 6 ARG H 1 6 ARG HG3 4.870 . 4.870 4.093 2.861 4.546 . 0 0 "[ . 1 . 2]" 1
81 1 12 GLU HB2 1 13 LYS H 5.030 . 5.030 3.582 2.652 3.945 . 0 0 "[ . 1 . 2]" 1
82 1 12 GLU HB3 1 13 LYS H 5.030 . 5.030 2.898 2.185 4.217 . 0 0 "[ . 1 . 2]" 1
83 1 12 GLU H 1 12 GLU HG3 4.640 . 4.640 4.010 1.855 4.532 . 0 0 "[ . 1 . 2]" 1
84 1 12 GLU H 1 12 GLU HG2 4.640 . 4.640 3.884 2.049 4.525 . 0 0 "[ . 1 . 2]" 1
85 1 13 LYS HB3 1 14 ASN H 4.610 . 4.610 3.090 2.256 4.189 . 0 0 "[ . 1 . 2]" 1
86 1 13 LYS H 1 13 LYS HB3 4.080 . 4.080 2.921 2.321 3.625 . 0 0 "[ . 1 . 2]" 1
87 1 27 GLN H 1 27 GLN HG2 4.820 . 4.820 3.316 1.882 4.700 . 0 0 "[ . 1 . 2]" 1
88 1 27 GLN H 1 27 GLN HG3 4.820 . 4.820 3.900 3.043 4.831 0.011 13 0 "[ . 1 . 2]" 1
89 1 2 GLU HB3 1 3 ASP H 4.650 . 4.650 3.672 2.091 4.532 . 0 0 "[ . 1 . 2]" 1
90 1 2 GLU HB2 1 3 ASP H 4.650 . 4.650 3.480 1.797 4.515 0.003 10 0 "[ . 1 . 2]" 1
91 1 2 GLU HG2 1 3 ASP H 5.500 . 5.500 4.654 3.674 5.531 0.031 5 0 "[ . 1 . 2]" 1
92 1 2 GLU HG3 1 3 ASP H 5.500 . 5.500 4.911 3.945 5.499 . 0 0 "[ . 1 . 2]" 1
93 1 2 GLU H 1 2 GLU HG2 5.500 . 5.500 3.223 2.224 4.827 . 0 0 "[ . 1 . 2]" 1
94 1 2 GLU H 1 2 GLU HG3 5.500 . 5.500 3.811 2.478 4.466 . 0 0 "[ . 1 . 2]" 1
95 1 25 LYS H 1 25 LYS HB2 4.180 . 4.180 2.857 2.353 3.837 . 0 0 "[ . 1 . 2]" 1
96 1 22 LYS HB2 1 23 LEU H 4.630 . 4.630 3.122 2.432 4.085 . 0 0 "[ . 1 . 2]" 1
97 1 22 LYS HB3 1 23 LEU H 4.630 . 4.630 3.481 2.518 4.006 . 0 0 "[ . 1 . 2]" 1
98 1 7 ILE MG 1 22 LYS HB3 4.490 . 4.490 3.220 2.004 4.500 0.010 20 0 "[ . 1 . 2]" 1
99 1 7 ILE MG 1 22 LYS HB2 4.490 . 4.490 3.333 2.449 4.494 0.004 16 0 "[ . 1 . 2]" 1
100 1 20 LYS H 1 20 LYS HB3 4.130 . 4.130 2.713 2.371 3.590 . 0 0 "[ . 1 . 2]" 1
101 1 10 GLU H 1 10 GLU HG3 4.540 . 4.540 3.748 2.245 4.541 0.001 16 0 "[ . 1 . 2]" 1
102 1 5 GLU HB2 1 6 ARG H 4.510 . 4.510 3.399 2.503 3.983 . 0 0 "[ . 1 . 2]" 1
103 1 10 GLU HB3 1 11 LEU H 4.310 . 4.310 3.412 2.697 3.939 . 0 0 "[ . 1 . 2]" 1
104 1 5 GLU H 1 5 GLU HB3 3.780 . 3.780 2.943 2.382 3.616 . 0 0 "[ . 1 . 2]" 1
105 1 2 GLU HA 1 3 ASP H 3.520 . 3.520 2.696 2.126 3.534 0.014 10 0 "[ . 1 . 2]" 1
106 1 3 ASP H 1 3 ASP HB2 4.040 . 4.040 2.866 2.306 3.621 . 0 0 "[ . 1 . 2]" 1
107 1 4 CYS HB3 1 5 GLU H 4.660 . 4.660 3.614 2.633 3.867 . 0 0 "[ . 1 . 2]" 1
108 1 5 GLU H 1 5 GLU HG2 5.280 . 5.280 3.777 2.046 4.640 . 0 0 "[ . 1 . 2]" 1
109 1 5 GLU H 1 5 GLU HG3 5.280 . 5.280 3.890 2.206 4.582 . 0 0 "[ . 1 . 2]" 1
110 1 5 GLU H 1 5 GLU HB2 3.780 . 3.780 2.579 2.348 3.646 . 0 0 "[ . 1 . 2]" 1
111 1 5 GLU H 1 6 ARG H 3.640 . 3.640 2.643 2.482 2.880 . 0 0 "[ . 1 . 2]" 1
112 1 5 GLU HB3 1 6 ARG H 4.510 . 4.510 3.085 2.221 3.929 . 0 0 "[ . 1 . 2]" 1
113 1 6 ARG H 1 6 ARG HG2 4.870 . 4.870 3.774 1.811 4.685 . 0 0 "[ . 1 . 2]" 1
114 1 4 CYS HA 1 6 ARG H 5.500 . 5.500 4.371 4.087 4.624 . 0 0 "[ . 1 . 2]" 1
115 1 6 ARG H 1 7 ILE H 3.740 . 3.740 2.710 2.546 2.952 . 0 0 "[ . 1 . 2]" 1
116 1 7 ILE H 1 8 ARG H 3.820 . 3.820 2.707 2.604 2.901 . 0 0 "[ . 1 . 2]" 1
117 1 6 ARG HB2 1 7 ILE H 4.410 . 4.410 3.166 2.071 3.912 . 0 0 "[ . 1 . 2]" 1
118 1 6 ARG HB3 1 7 ILE H 4.410 . 4.410 2.801 2.011 3.701 . 0 0 "[ . 1 . 2]" 1
119 1 7 ILE H 1 7 ILE MG 4.380 . 4.380 3.774 3.755 3.790 . 0 0 "[ . 1 . 2]" 1
120 1 7 ILE HB 1 8 ARG H 3.490 . 3.490 2.598 2.246 2.858 . 0 0 "[ . 1 . 2]" 1
121 1 8 ARG H 1 9 LYS H 3.740 . 3.740 2.764 2.605 3.025 . 0 0 "[ . 1 . 2]" 1
122 1 8 ARG HB2 1 9 LYS H 3.680 . 3.680 3.486 2.228 3.694 0.014 20 0 "[ . 1 . 2]" 1
123 1 8 ARG HB3 1 9 LYS H 3.870 . 3.870 2.517 2.097 3.292 . 0 0 "[ . 1 . 2]" 1
124 1 10 GLU H 1 11 LEU H 3.500 . 3.500 2.530 2.352 2.755 . 0 0 "[ . 1 . 2]" 1
125 1 10 GLU H 1 10 GLU HG2 4.540 . 4.540 3.473 2.225 4.486 . 0 0 "[ . 1 . 2]" 1
126 1 10 GLU H 1 10 GLU HB2 4.110 . 4.110 2.427 2.180 2.587 . 0 0 "[ . 1 . 2]" 1
127 1 10 GLU H 1 10 GLU HB3 4.110 . 4.110 3.254 2.411 3.624 . 0 0 "[ . 1 . 2]" 1
128 1 9 LYS HA 1 11 LEU H 4.180 . 4.180 4.169 4.021 4.196 0.016 16 0 "[ . 1 . 2]" 1
129 1 11 LEU H 1 11 LEU HB2 3.760 . 3.760 2.475 2.188 2.639 . 0 0 "[ . 1 . 2]" 1
130 1 11 LEU H 1 11 LEU HB3 3.760 . 3.760 2.645 2.374 3.595 . 0 0 "[ . 1 . 2]" 1
131 1 10 GLU HB2 1 11 LEU H 4.310 . 4.310 3.225 2.730 4.002 . 0 0 "[ . 1 . 2]" 1
132 1 11 LEU H 1 12 GLU H 3.790 . 3.790 2.454 2.330 2.626 . 0 0 "[ . 1 . 2]" 1
133 1 11 LEU HB2 1 12 GLU H 4.770 . 4.770 3.747 2.719 4.026 . 0 0 "[ . 1 . 2]" 1
134 1 12 GLU H 1 13 LYS H 3.640 . 3.640 2.684 2.428 3.015 . 0 0 "[ . 1 . 2]" 1
135 1 13 LYS H 1 13 LYS HB2 4.080 . 4.080 2.657 2.267 3.661 . 0 0 "[ . 1 . 2]" 1
136 1 13 LYS H 1 14 ASN H 3.690 . 3.690 2.485 2.341 2.615 . 0 0 "[ . 1 . 2]" 1
137 1 13 LYS HB2 1 14 ASN H 4.610 . 4.610 3.378 2.270 4.188 . 0 0 "[ . 1 . 2]" 1
138 1 16 ASN HB2 1 17 ASP H 4.310 . 4.310 4.099 3.895 4.241 . 0 0 "[ . 1 . 2]" 1
139 1 17 ASP H 1 18 GLU H 3.910 . 3.910 2.807 2.564 3.029 . 0 0 "[ . 1 . 2]" 1
140 1 18 GLU H 1 19 ILE H 3.810 . 3.810 2.817 2.703 2.947 . 0 0 "[ . 1 . 2]" 1
141 1 19 ILE H 1 20 LYS H 3.680 . 3.680 2.641 2.385 2.878 . 0 0 "[ . 1 . 2]" 1
142 1 17 ASP HA 1 20 LYS H 4.550 . 4.550 3.536 3.178 4.058 . 0 0 "[ . 1 . 2]" 1
143 1 19 ILE HB 1 20 LYS H 3.570 . 3.570 2.632 2.463 2.849 . 0 0 "[ . 1 . 2]" 1
144 1 20 LYS H 1 20 LYS HB2 4.130 . 4.130 2.451 2.196 2.633 . 0 0 "[ . 1 . 2]" 1
145 1 11 LEU MD1 1 20 LYS H 4.670 . 4.670 3.313 2.333 4.675 0.005 16 0 "[ . 1 . 2]" 1
146 1 22 LYS H 1 23 LEU H 3.690 . 3.690 2.546 2.413 2.748 . 0 0 "[ . 1 . 2]" 1
147 1 22 LYS H 1 22 LYS HB2 3.780 . 3.780 2.400 2.168 2.573 . 0 0 "[ . 1 . 2]" 1
148 1 22 LYS H 1 22 LYS HB3 3.780 . 3.780 3.368 2.565 3.655 . 0 0 "[ . 1 . 2]" 1
149 1 23 LEU H 1 23 LEU HB3 3.780 . 3.780 2.716 2.393 3.546 . 0 0 "[ . 1 . 2]" 1
150 1 23 LEU H 1 23 LEU HG 4.670 . 4.670 4.351 2.775 4.651 . 0 0 "[ . 1 . 2]" 1
151 1 23 LEU H 1 24 GLU H 3.590 . 3.590 2.584 2.397 2.926 . 0 0 "[ . 1 . 2]" 1
152 1 23 LEU HB2 1 24 GLU H 4.640 . 4.640 3.718 3.015 3.952 . 0 0 "[ . 1 . 2]" 1
153 1 24 GLU H 1 25 LYS H 3.940 . 3.940 2.727 2.476 3.029 . 0 0 "[ . 1 . 2]" 1
154 1 25 LYS H 1 26 CYS H 3.690 . 3.690 2.577 2.301 3.688 . 0 0 "[ . 1 . 2]" 1
155 1 23 LEU HA 1 25 LYS H 4.780 . 4.780 4.082 3.699 4.783 0.003 10 0 "[ . 1 . 2]" 1
156 1 25 LYS H 1 25 LYS HB3 4.180 . 4.180 3.129 2.485 3.766 . 0 0 "[ . 1 . 2]" 1
157 1 26 CYS H 1 27 GLN H 4.050 . 4.050 2.685 2.054 4.060 0.010 13 0 "[ . 1 . 2]" 1
158 1 26 CYS H 1 26 CYS HB2 3.860 . 3.860 3.016 2.362 3.646 . 0 0 "[ . 1 . 2]" 1
159 1 26 CYS H 1 26 CYS HB3 3.860 . 3.860 2.704 2.290 3.727 . 0 0 "[ . 1 . 2]" 1
160 1 27 GLN H 1 28 ALA H 4.070 . 4.070 3.177 1.799 4.078 0.008 4 0 "[ . 1 . 2]" 1
161 1 2 GLU H 1 2 GLU QG 4.730 . 4.730 2.905 2.208 4.091 . 0 0 "[ . 1 . 2]" 1
162 1 3 ASP H 1 3 ASP QB 3.530 . 3.530 2.573 2.234 3.285 . 0 0 "[ . 1 . 2]" 1
163 1 3 ASP QB 1 4 CYS H 4.380 . 4.380 3.417 1.927 3.888 . 0 0 "[ . 1 . 2]" 1
164 1 3 ASP QB 1 6 ARG QB 4.320 . 4.320 2.491 1.795 3.722 0.005 17 0 "[ . 1 . 2]" 1
165 1 4 CYS H 1 4 CYS QB 3.560 . 3.560 2.468 2.250 2.612 . 0 0 "[ . 1 . 2]" 1
166 1 4 CYS QB 1 23 LEU QD 3.630 . 3.630 3.088 2.276 3.640 0.010 8 0 "[ . 1 . 2]" 1
167 1 5 GLU H 1 5 GLU QB 3.300 . 3.300 2.334 2.194 2.599 . 0 0 "[ . 1 . 2]" 1
168 1 5 GLU H 1 5 GLU QG 4.530 . 4.530 3.278 2.035 4.054 . 0 0 "[ . 1 . 2]" 1
169 1 5 GLU QB 1 6 ARG H 3.770 . 3.770 2.622 2.203 3.435 . 0 0 "[ . 1 . 2]" 1
170 1 6 ARG H 1 6 ARG QB 3.330 . 3.330 2.313 2.145 2.685 . 0 0 "[ . 1 . 2]" 1
171 1 6 ARG H 1 6 ARG QG 4.230 . 4.230 3.373 1.804 4.070 . 0 0 "[ . 1 . 2]" 1
172 1 6 ARG HA 1 6 ARG QG 3.630 . 3.630 2.663 2.383 3.103 . 0 0 "[ . 1 . 2]" 1
173 1 6 ARG QB 1 7 ILE H 3.640 . 3.640 2.352 1.995 2.596 . 0 0 "[ . 1 . 2]" 1
174 1 7 ILE H 1 7 ILE QG 3.410 . 3.410 2.008 1.796 2.186 0.004 3 0 "[ . 1 . 2]" 1
175 1 7 ILE HA 1 7 ILE QG 3.410 . 3.410 2.449 2.343 2.600 . 0 0 "[ . 1 . 2]" 1
176 1 7 ILE HA 1 10 GLU QB 3.710 . 3.710 2.530 2.102 2.841 . 0 0 "[ . 1 . 2]" 1
177 1 7 ILE QG 1 7 ILE MG 3.030 . 3.030 2.338 2.280 2.365 . 0 0 "[ . 1 . 2]" 1
178 1 7 ILE MG 1 22 LYS QB 3.760 . 3.760 2.785 1.991 3.741 . 0 0 "[ . 1 . 2]" 1
179 1 7 ILE MG 1 26 CYS QB 4.190 . 4.190 3.794 3.134 4.203 0.013 19 0 "[ . 1 . 2]" 1
180 1 7 ILE MD 1 22 LYS QB 4.420 . 4.420 2.810 1.931 3.777 . 0 0 "[ . 1 . 2]" 1
181 1 7 ILE MD 1 26 CYS QB 3.970 . 3.970 2.583 1.967 3.784 . 0 0 "[ . 1 . 2]" 1
182 1 8 ARG H 1 8 ARG QG 4.280 . 4.280 3.736 2.083 4.063 . 0 0 "[ . 1 . 2]" 1
183 1 8 ARG H 1 23 LEU QD 4.420 . 4.420 2.918 2.268 3.939 . 0 0 "[ . 1 . 2]" 1
184 1 8 ARG HA 1 11 LEU QB 3.810 . 3.810 2.673 2.211 3.117 . 0 0 "[ . 1 . 2]" 1
185 1 8 ARG HA 1 11 LEU QD 4.550 . 4.550 3.537 2.249 4.242 . 0 0 "[ . 1 . 2]" 1
186 1 8 ARG HA 1 23 LEU QD 3.760 . 3.760 2.273 1.792 3.120 0.008 3 0 "[ . 1 . 2]" 1
187 1 8 ARG HB2 1 23 LEU QD 3.710 . 3.710 2.618 1.851 3.733 0.023 13 0 "[ . 1 . 2]" 1
188 1 8 ARG QG 1 23 LEU QD 3.660 . 3.660 2.588 1.781 3.628 0.019 13 0 "[ . 1 . 2]" 1
189 1 10 GLU H 1 10 GLU QB 3.490 . 3.490 2.327 2.134 2.486 . 0 0 "[ . 1 . 2]" 1
190 1 10 GLU H 1 10 GLU QG 3.900 . 3.900 3.024 2.208 3.933 0.033 3 0 "[ . 1 . 2]" 1
191 1 10 GLU HA 1 10 GLU QG 3.670 . 3.670 2.588 2.303 3.043 . 0 0 "[ . 1 . 2]" 1
192 1 10 GLU QB 1 11 LEU H 3.660 . 3.660 2.767 2.650 3.013 . 0 0 "[ . 1 . 2]" 1
193 1 11 LEU H 1 11 LEU QB 3.200 . 3.200 2.241 2.130 2.361 . 0 0 "[ . 1 . 2]" 1
194 1 11 LEU H 1 11 LEU QD 4.930 . 4.930 3.696 3.196 3.807 . 0 0 "[ . 1 . 2]" 1
195 1 11 LEU HA 1 11 LEU QD 3.320 . 3.320 2.019 1.882 2.293 . 0 0 "[ . 1 . 2]" 1
196 1 11 LEU QB 1 12 GLU H 3.990 . 3.990 2.645 2.397 2.943 . 0 0 "[ . 1 . 2]" 1
197 1 11 LEU QB 1 19 ILE MG 4.320 . 4.320 2.210 1.796 3.836 0.004 11 0 "[ . 1 . 2]" 1
198 1 11 LEU QD 1 15 PRO HA 3.810 . 3.810 2.130 1.797 2.616 0.003 2 0 "[ . 1 . 2]" 1
199 1 11 LEU QD 1 15 PRO QB 4.470 . 4.470 3.397 2.435 3.965 . 0 0 "[ . 1 . 2]" 1
200 1 11 LEU QD 1 16 ASN H 4.230 . 4.230 2.295 1.924 3.238 . 0 0 "[ . 1 . 2]" 1
201 1 11 LEU QD 1 19 ILE H 4.920 . 4.920 4.023 3.669 4.669 . 0 0 "[ . 1 . 2]" 1
202 1 11 LEU QD 1 19 ILE HB 3.520 . 3.520 2.282 1.814 3.005 . 0 0 "[ . 1 . 2]" 1
203 1 11 LEU QD 1 19 ILE QG 3.890 . 3.890 3.662 3.294 3.902 0.012 8 0 "[ . 1 . 2]" 1
204 1 11 LEU QD 1 20 LYS H 3.880 . 3.880 2.646 2.305 3.295 . 0 0 "[ . 1 . 2]" 1
205 1 11 LEU QD 1 20 LYS HA 3.500 . 3.500 2.128 1.797 2.968 0.003 3 0 "[ . 1 . 2]" 1
206 1 11 LEU QD 1 20 LYS QB 4.020 . 4.020 2.263 1.800 3.421 0.000 11 0 "[ . 1 . 2]" 1
207 1 12 GLU H 1 12 GLU QB 3.410 . 3.410 2.282 2.152 2.722 . 0 0 "[ . 1 . 2]" 1
208 1 12 GLU H 1 12 GLU QG 3.940 . 3.940 3.415 1.838 3.973 0.033 19 0 "[ . 1 . 2]" 1
209 1 12 GLU HA 1 12 GLU QG 3.710 . 3.710 2.723 2.394 3.377 . 0 0 "[ . 1 . 2]" 1
210 1 12 GLU QB 1 13 LYS H 4.350 . 4.350 2.601 2.166 3.561 . 0 0 "[ . 1 . 2]" 1
211 1 13 LYS H 1 13 LYS QB 3.520 . 3.520 2.332 2.199 2.680 . 0 0 "[ . 1 . 2]" 1
212 1 13 LYS H 1 13 LYS QG 4.670 . 4.670 3.296 1.801 4.071 . 0 0 "[ . 1 . 2]" 1
213 1 13 LYS QB 1 14 ASN H 3.950 . 3.950 2.630 2.230 3.732 . 0 0 "[ . 1 . 2]" 1
214 1 14 ASN H 1 15 PRO QD 4.490 . 4.490 3.689 3.286 4.283 . 0 0 "[ . 1 . 2]" 1
215 1 16 ASN H 1 20 LYS QB 4.620 . 4.620 4.332 3.573 4.635 0.015 12 0 "[ . 1 . 2]" 1
216 1 17 ASP H 1 17 ASP QB 3.410 . 3.410 2.416 2.240 2.582 . 0 0 "[ . 1 . 2]" 1
217 1 17 ASP HA 1 20 LYS QB 3.680 . 3.680 2.463 1.987 3.342 . 0 0 "[ . 1 . 2]" 1
218 1 17 ASP QB 1 18 GLU H 3.910 . 3.910 2.572 2.132 3.406 . 0 0 "[ . 1 . 2]" 1
219 1 19 ILE H 1 19 ILE QG 3.590 . 3.590 2.334 1.937 3.325 . 0 0 "[ . 1 . 2]" 1
220 1 19 ILE HA 1 19 ILE QG 3.650 . 3.650 2.841 2.396 3.108 . 0 0 "[ . 1 . 2]" 1
221 1 19 ILE HA 1 22 LYS QB 3.780 . 3.780 2.488 2.090 3.010 . 0 0 "[ . 1 . 2]" 1
222 1 19 ILE QG 1 19 ILE MG 3.230 . 3.230 2.252 2.085 2.319 . 0 0 "[ . 1 . 2]" 1
223 1 19 ILE MD 1 22 LYS QB 4.920 . 4.920 3.798 3.230 4.723 . 0 0 "[ . 1 . 2]" 1
224 1 20 LYS H 1 20 LYS QB 3.520 . 3.520 2.232 2.128 2.352 . 0 0 "[ . 1 . 2]" 1
225 1 20 LYS HA 1 23 LEU QB 3.720 . 3.720 2.791 2.364 3.218 . 0 0 "[ . 1 . 2]" 1
226 1 20 LYS QB 1 21 LYS H 3.240 . 3.240 2.525 2.272 2.769 . 0 0 "[ . 1 . 2]" 1
227 1 22 LYS QB 1 23 LEU H 4.050 . 4.050 2.759 2.394 3.092 . 0 0 "[ . 1 . 2]" 1
228 1 23 LEU H 1 23 LEU QB 3.300 . 3.300 2.203 2.101 2.275 . 0 0 "[ . 1 . 2]" 1
229 1 23 LEU H 1 23 LEU QD 4.390 . 4.390 3.705 3.318 3.801 . 0 0 "[ . 1 . 2]" 1
230 1 23 LEU HA 1 23 LEU QD 3.270 . 3.270 2.244 1.837 2.909 . 0 0 "[ . 1 . 2]" 1
231 1 23 LEU HA 1 26 CYS QB 3.900 . 3.900 2.462 1.900 3.151 . 0 0 "[ . 1 . 2]" 1
232 1 23 LEU QB 1 24 GLU H 3.790 . 3.790 2.634 2.280 2.880 . 0 0 "[ . 1 . 2]" 1
233 1 23 LEU QD 1 26 CYS QB 4.020 . 4.020 2.726 1.802 4.012 . 0 0 "[ . 1 . 2]" 1
234 1 25 LYS H 1 25 LYS QB 3.610 . 3.610 2.521 2.233 3.202 . 0 0 "[ . 1 . 2]" 1
235 1 25 LYS H 1 25 LYS QG 4.400 . 4.400 3.168 1.984 4.158 . 0 0 "[ . 1 . 2]" 1
236 1 26 CYS H 1 26 CYS QB 3.360 . 3.360 2.418 2.222 2.752 . 0 0 "[ . 1 . 2]" 1
237 1 26 CYS QB 1 27 GLN H 4.180 . 4.180 3.274 2.257 4.054 . 0 0 "[ . 1 . 2]" 1
238 1 27 GLN HA 1 27 GLN QG 3.740 . 3.740 2.889 2.435 3.357 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 20
_Distance_constraint_stats_list.Viol_count 64
_Distance_constraint_stats_list.Viol_total 4.064
_Distance_constraint_stats_list.Viol_max 0.010
_Distance_constraint_stats_list.Viol_rms 0.0014
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0005
_Distance_constraint_stats_list.Viol_average_violations_only 0.0032
_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 ASP 0.013 0.005 20 0 "[ . 1 . 2]"
1 4 CYS 0.009 0.003 3 0 "[ . 1 . 2]"
1 5 GLU 0.046 0.008 4 0 "[ . 1 . 2]"
1 6 ARG 0.027 0.007 16 0 "[ . 1 . 2]"
1 7 ILE 0.026 0.005 5 0 "[ . 1 . 2]"
1 8 ARG 0.034 0.010 6 0 "[ . 1 . 2]"
1 9 LYS 0.046 0.008 4 0 "[ . 1 . 2]"
1 10 GLU 0.027 0.007 16 0 "[ . 1 . 2]"
1 11 LEU 0.013 0.005 5 0 "[ . 1 . 2]"
1 12 GLU 0.024 0.010 6 0 "[ . 1 . 2]"
1 16 ASN 0.010 0.005 17 0 "[ . 1 . 2]"
1 17 ASP 0.008 0.007 10 0 "[ . 1 . 2]"
1 18 GLU 0.032 0.008 12 0 "[ . 1 . 2]"
1 19 ILE 0.021 0.007 3 0 "[ . 1 . 2]"
1 20 LYS 0.010 0.005 17 0 "[ . 1 . 2]"
1 21 LYS 0.008 0.007 10 0 "[ . 1 . 2]"
1 22 LYS 0.032 0.008 12 0 "[ . 1 . 2]"
1 23 LEU 0.021 0.007 3 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 ASP O 1 7 ILE H 2.000 . 2.000 1.932 1.816 2.005 0.005 20 0 "[ . 1 . 2]" 2
2 1 3 ASP O 1 7 ILE N 3.000 2.700 3.000 2.892 2.721 2.968 . 0 0 "[ . 1 . 2]" 2
3 1 4 CYS O 1 8 ARG H 2.000 . 2.000 1.917 1.815 2.003 0.003 3 0 "[ . 1 . 2]" 2
4 1 4 CYS O 1 8 ARG N 3.000 2.700 3.000 2.826 2.713 2.966 . 0 0 "[ . 1 . 2]" 2
5 1 5 GLU O 1 9 LYS H 2.000 . 2.000 1.984 1.905 2.008 0.008 4 0 "[ . 1 . 2]" 2
6 1 5 GLU O 1 9 LYS N 3.000 2.700 3.000 2.921 2.783 2.983 . 0 0 "[ . 1 . 2]" 2
7 1 6 ARG O 1 10 GLU H 2.000 . 2.000 1.952 1.834 2.007 0.007 16 0 "[ . 1 . 2]" 2
8 1 6 ARG O 1 10 GLU N 3.000 2.700 3.000 2.855 2.699 2.980 0.001 3 0 "[ . 1 . 2]" 2
9 1 7 ILE O 1 11 LEU H 2.000 . 2.000 1.951 1.857 2.003 0.003 6 0 "[ . 1 . 2]" 2
10 1 7 ILE O 1 11 LEU N 3.000 2.700 3.000 2.779 2.695 2.888 0.005 5 0 "[ . 1 . 2]" 2
11 1 8 ARG O 1 12 GLU H 2.000 . 2.000 1.951 1.841 2.010 0.010 6 0 "[ . 1 . 2]" 2
12 1 8 ARG O 1 12 GLU N 3.000 2.700 3.000 2.831 2.696 2.967 0.004 20 0 "[ . 1 . 2]" 2
13 1 16 ASN O 1 20 LYS H 2.000 . 2.000 1.934 1.836 2.005 0.005 17 0 "[ . 1 . 2]" 2
14 1 16 ASN O 1 20 LYS N 3.000 2.700 3.000 2.872 2.751 2.971 . 0 0 "[ . 1 . 2]" 2
15 1 17 ASP O 1 21 LYS H 2.000 . 2.000 1.942 1.858 2.007 0.007 10 0 "[ . 1 . 2]" 2
16 1 17 ASP O 1 21 LYS N 3.000 2.700 3.000 2.849 2.767 2.964 . 0 0 "[ . 1 . 2]" 2
17 1 18 GLU O 1 22 LYS H 2.000 . 2.000 1.960 1.841 2.008 0.008 12 0 "[ . 1 . 2]" 2
18 1 18 GLU O 1 22 LYS N 3.000 2.700 3.000 2.842 2.696 2.960 0.004 19 0 "[ . 1 . 2]" 2
19 1 19 ILE O 1 23 LEU H 2.000 . 2.000 1.971 1.907 2.007 0.007 3 0 "[ . 1 . 2]" 2
20 1 19 ILE O 1 23 LEU N 3.000 2.700 3.000 2.832 2.733 2.972 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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