NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
627444 |
6br0   |
30376 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6br0
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 401
_Distance_constraint_stats_list.Viol_count 1185
_Distance_constraint_stats_list.Viol_total 1530.972
_Distance_constraint_stats_list.Viol_max 0.350
_Distance_constraint_stats_list.Viol_rms 0.0296
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0095
_Distance_constraint_stats_list.Viol_average_violations_only 0.0646
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ASP 0.118 0.049 12 0 "[ . 1 . 2]"
1 2 CYS 4.197 0.189 10 0 "[ . 1 . 2]"
1 3 LEU 6.673 0.189 10 0 "[ . 1 . 2]"
1 4 GLY 1.825 0.113 8 0 "[ . 1 . 2]"
1 5 TRP 11.344 0.265 4 0 "[ . 1 . 2]"
1 6 PHE 3.389 0.114 20 0 "[ . 1 . 2]"
1 7 LYS 5.967 0.152 20 0 "[ . 1 . 2]"
1 8 SER 5.398 0.152 20 0 "[ . 1 . 2]"
1 9 CYS 4.209 0.127 9 0 "[ . 1 . 2]"
1 10 ASP 2.273 0.127 9 0 "[ . 1 . 2]"
1 11 PRO 1.275 0.090 8 0 "[ . 1 . 2]"
1 12 LYS 4.100 0.213 8 0 "[ . 1 . 2]"
1 13 ASN 2.455 0.105 6 0 "[ . 1 . 2]"
1 14 ASP 3.701 0.168 7 0 "[ . 1 . 2]"
1 15 LYS 4.195 0.168 7 0 "[ . 1 . 2]"
1 16 CYS 0.970 0.165 18 0 "[ . 1 . 2]"
1 17 CYS 4.678 0.143 14 0 "[ . 1 . 2]"
1 18 LYS 5.912 0.350 14 0 "[ . 1 . 2]"
1 19 ASN 5.196 0.175 8 0 "[ . 1 . 2]"
1 20 TYR 4.998 0.140 2 0 "[ . 1 . 2]"
1 21 THR 2.956 0.149 4 0 "[ . 1 . 2]"
1 22 CYS 5.356 0.209 12 0 "[ . 1 . 2]"
1 23 SER 3.030 0.267 12 0 "[ . 1 . 2]"
1 24 ARG 1.955 0.130 19 0 "[ . 1 . 2]"
1 25 ARG 3.118 0.113 2 0 "[ . 1 . 2]"
1 26 ASP 0.487 0.079 12 0 "[ . 1 . 2]"
1 27 ARG 3.046 0.181 1 0 "[ . 1 . 2]"
1 28 TRP 1.425 0.102 8 0 "[ . 1 . 2]"
1 29 CYS 4.152 0.203 15 0 "[ . 1 . 2]"
1 30 LYS 6.419 0.188 16 0 "[ . 1 . 2]"
1 31 TYR 0.411 0.071 5 0 "[ . 1 . 2]"
1 32 ASP 2.135 0.113 20 0 "[ . 1 . 2]"
1 33 LEU 1.464 0.113 20 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 21 THR H 1 21 THR HB 3.140 . 3.140 3.010 2.811 3.270 0.130 16 0 "[ . 1 . 2]" 1
2 1 20 TYR H 1 20 TYR HB2 3.450 . 3.450 2.519 2.383 2.644 . 0 0 "[ . 1 . 2]" 1
3 1 20 TYR H 1 20 TYR HB3 3.450 . 3.450 3.564 3.535 3.590 0.140 2 0 "[ . 1 . 2]" 1
4 1 20 TYR HA 1 21 THR H 2.710 . 2.710 2.331 2.197 2.584 . 0 0 "[ . 1 . 2]" 1
5 1 19 ASN HA 1 20 TYR H 3.300 . 3.300 3.371 3.345 3.387 0.087 6 0 "[ . 1 . 2]" 1
6 1 19 ASN H 1 19 ASN HB2 4.140 . 4.140 3.578 3.286 3.730 . 0 0 "[ . 1 . 2]" 1
7 1 19 ASN H 1 19 ASN HB3 4.140 . 4.140 4.010 3.626 4.192 0.052 4 0 "[ . 1 . 2]" 1
8 1 19 ASN H 1 19 ASN HA 2.400 . 2.400 2.266 2.220 2.319 . 0 0 "[ . 1 . 2]" 1
9 1 17 CYS HA 1 18 LYS H 2.650 . 2.650 2.479 2.247 2.682 0.032 20 0 "[ . 1 . 2]" 1
10 1 23 SER H 1 23 SER HB2 2.990 . 2.990 2.810 2.178 2.997 0.007 4 0 "[ . 1 . 2]" 1
11 1 23 SER H 1 23 SER HB3 2.990 . 2.990 2.457 2.295 3.257 0.267 12 0 "[ . 1 . 2]" 1
12 1 10 ASP H 1 10 ASP HB2 3.170 . 3.170 2.993 2.802 3.193 0.023 9 0 "[ . 1 . 2]" 1
13 1 10 ASP H 1 10 ASP HB3 3.170 . 3.170 2.623 2.507 2.746 . 0 0 "[ . 1 . 2]" 1
14 1 21 THR HA 1 22 CYS H 2.650 . 2.650 2.210 2.060 2.376 . 0 0 "[ . 1 . 2]" 1
15 1 22 CYS H 1 22 CYS HB3 3.400 . 3.400 2.937 2.464 3.517 0.117 8 0 "[ . 1 . 2]" 1
16 1 22 CYS H 1 22 CYS HB2 3.080 . 3.080 2.519 2.328 2.836 . 0 0 "[ . 1 . 2]" 1
17 1 22 CYS HA 1 23 SER H 2.620 . 2.620 2.046 1.942 2.123 . 0 0 "[ . 1 . 2]" 1
18 1 23 SER HA 1 24 ARG H 2.490 . 2.490 2.204 2.130 2.286 . 0 0 "[ . 1 . 2]" 1
19 1 24 ARG H 1 24 ARG HB2 3.360 . 3.360 2.538 2.163 2.841 . 0 0 "[ . 1 . 2]" 1
20 1 24 ARG H 1 24 ARG HB3 3.360 . 3.360 2.700 2.386 3.449 0.089 17 0 "[ . 1 . 2]" 1
21 1 24 ARG HA 1 25 ARG H 3.330 . 3.330 3.382 3.354 3.411 0.081 9 0 "[ . 1 . 2]" 1
22 1 2 CYS H 1 2 CYS HB3 3.830 . 3.830 3.104 2.665 3.396 . 0 0 "[ . 1 . 2]" 1
23 1 2 CYS H 1 2 CYS HB2 3.830 . 3.830 3.641 3.524 3.920 0.090 19 0 "[ . 1 . 2]" 1
24 1 1 ASP HA 1 2 CYS H 2.740 . 2.740 2.436 2.237 2.664 . 0 0 "[ . 1 . 2]" 1
25 1 32 ASP HA 1 33 LEU H 3.360 . 3.360 3.233 2.095 3.473 0.113 20 0 "[ . 1 . 2]" 1
26 1 32 ASP H 1 32 ASP HB2 3.210 . 3.210 3.060 2.535 3.300 0.090 16 0 "[ . 1 . 2]" 1
27 1 32 ASP H 1 32 ASP HB3 3.210 . 3.210 2.734 2.522 2.945 . 0 0 "[ . 1 . 2]" 1
28 1 31 TYR HA 1 32 ASP H 2.620 . 2.620 2.139 2.095 2.186 . 0 0 "[ . 1 . 2]" 1
29 1 31 TYR H 1 31 TYR HB2 3.020 . 3.020 2.566 2.262 2.811 . 0 0 "[ . 1 . 2]" 1
30 1 31 TYR H 1 31 TYR HB3 3.020 . 3.020 2.488 2.311 2.652 . 0 0 "[ . 1 . 2]" 1
31 1 30 LYS HA 1 31 TYR H 2.770 . 2.770 2.448 2.233 2.557 . 0 0 "[ . 1 . 2]" 1
32 1 30 LYS H 1 30 LYS HB2 3.360 . 3.360 2.794 2.718 3.058 . 0 0 "[ . 1 . 2]" 1
33 1 30 LYS H 1 30 LYS HB3 3.700 . 3.700 3.792 3.757 3.863 0.163 12 0 "[ . 1 . 2]" 1
34 1 29 CYS HA 1 30 LYS H 2.680 . 2.680 2.165 2.098 2.235 . 0 0 "[ . 1 . 2]" 1
35 1 29 CYS H 1 29 CYS HA 2.770 . 2.770 2.817 2.741 2.867 0.097 12 0 "[ . 1 . 2]" 1
36 1 28 TRP HA 1 29 CYS H 2.620 . 2.620 2.469 2.339 2.625 0.005 11 0 "[ . 1 . 2]" 1
37 1 29 CYS H 1 29 CYS HB2 3.300 . 3.300 2.526 2.145 3.503 0.203 15 0 "[ . 1 . 2]" 1
38 1 27 ARG HA 1 28 TRP H 3.330 . 3.330 3.064 2.893 3.185 . 0 0 "[ . 1 . 2]" 1
39 1 27 ARG H 1 27 ARG HA 2.620 . 2.620 2.143 2.098 2.198 . 0 0 "[ . 1 . 2]" 1
40 1 27 ARG H 1 27 ARG HB3 3.900 . 3.900 3.996 3.918 4.036 0.136 11 0 "[ . 1 . 2]" 1
41 1 7 LYS H 1 7 LYS HB2 3.140 . 3.140 2.441 2.368 2.525 . 0 0 "[ . 1 . 2]" 1
42 1 25 ARG H 1 25 ARG HB2 2.960 . 2.960 2.433 2.237 2.576 . 0 0 "[ . 1 . 2]" 1
43 1 25 ARG H 1 25 ARG HB3 2.960 . 2.960 2.427 2.225 2.758 . 0 0 "[ . 1 . 2]" 1
44 1 3 LEU HB3 1 4 GLY H 3.860 . 3.860 2.933 2.673 3.417 . 0 0 "[ . 1 . 2]" 1
45 1 13 ASN H 1 13 ASN HB2 3.210 . 3.210 3.166 2.949 3.315 0.105 6 0 "[ . 1 . 2]" 1
46 1 13 ASN H 1 13 ASN HB3 3.210 . 3.210 2.826 2.664 2.997 . 0 0 "[ . 1 . 2]" 1
47 1 13 ASN HA 1 14 ASP H 2.680 . 2.680 2.279 2.079 2.684 0.004 1 0 "[ . 1 . 2]" 1
48 1 14 ASP H 1 14 ASP HB2 2.800 . 2.800 2.586 2.318 2.852 0.052 18 0 "[ . 1 . 2]" 1
49 1 14 ASP H 1 14 ASP HB3 2.800 . 2.800 2.499 2.240 2.831 0.031 6 0 "[ . 1 . 2]" 1
50 1 14 ASP HA 1 15 LYS H 2.650 . 2.650 2.111 1.870 2.702 0.052 6 0 "[ . 1 . 2]" 1
51 1 15 LYS H 1 15 LYS HB2 3.610 . 3.610 2.649 2.446 3.229 . 0 0 "[ . 1 . 2]" 1
52 1 15 LYS H 1 15 LYS HB3 3.610 . 3.610 3.569 2.637 3.747 0.137 7 0 "[ . 1 . 2]" 1
53 1 15 LYS HA 1 16 CYS H 3.420 . 3.420 3.194 3.001 3.516 0.096 18 0 "[ . 1 . 2]" 1
54 1 16 CYS HA 1 17 CYS H 2.560 . 2.560 2.436 2.272 2.580 0.020 18 0 "[ . 1 . 2]" 1
55 1 17 CYS H 1 17 CYS HB3 3.390 . 3.390 3.457 3.434 3.498 0.108 18 0 "[ . 1 . 2]" 1
56 1 18 LYS HA 1 19 ASN H 2.400 . 2.400 2.222 1.981 2.456 0.056 4 0 "[ . 1 . 2]" 1
57 1 12 LYS HA 1 13 ASN H 3.450 . 3.450 3.389 3.290 3.485 0.035 6 0 "[ . 1 . 2]" 1
58 1 12 LYS H 1 12 LYS HB3 3.270 . 3.270 3.060 2.501 3.442 0.172 12 0 "[ . 1 . 2]" 1
59 1 8 SER H 1 8 SER HB2 2.990 . 2.990 2.456 2.300 2.666 . 0 0 "[ . 1 . 2]" 1
60 1 8 SER H 1 8 SER HB3 3.350 . 3.350 3.334 2.616 3.486 0.136 13 0 "[ . 1 . 2]" 1
61 1 7 LYS HA 1 8 SER H 2.460 . 2.460 2.144 2.058 2.244 . 0 0 "[ . 1 . 2]" 1
62 1 6 PHE H 1 6 PHE HA 2.680 . 2.680 2.192 2.119 2.259 . 0 0 "[ . 1 . 2]" 1
63 1 6 PHE HA 1 7 LYS H 3.390 . 3.390 3.295 3.133 3.391 0.001 19 0 "[ . 1 . 2]" 1
64 1 6 PHE H 1 6 PHE HB2 4.070 . 4.070 3.448 3.164 3.622 . 0 0 "[ . 1 . 2]" 1
65 1 6 PHE H 1 6 PHE HB3 4.070 . 4.070 4.011 3.778 4.147 0.077 10 0 "[ . 1 . 2]" 1
66 1 5 TRP HA 1 6 PHE H 2.590 . 2.590 2.477 2.337 2.612 0.022 6 0 "[ . 1 . 2]" 1
67 1 3 LEU HA 1 4 GLY H 2.520 . 2.520 2.253 2.080 2.343 . 0 0 "[ . 1 . 2]" 1
68 1 3 LEU H 1 3 LEU HB2 3.420 . 3.420 2.498 2.326 2.631 . 0 0 "[ . 1 . 2]" 1
69 1 3 LEU H 1 3 LEU HB3 3.420 . 3.420 3.500 3.479 3.556 0.136 18 0 "[ . 1 . 2]" 1
70 1 9 CYS H 1 9 CYS HA 2.770 . 2.770 2.833 2.772 2.878 0.108 18 0 "[ . 1 . 2]" 1
71 1 9 CYS H 1 9 CYS HB2 3.700 . 3.700 3.718 3.454 3.781 0.081 10 0 "[ . 1 . 2]" 1
72 1 9 CYS H 1 9 CYS HB3 3.700 . 3.700 3.414 2.975 3.610 . 0 0 "[ . 1 . 2]" 1
73 1 26 ASP H 1 26 ASP HB2 3.670 . 3.670 2.514 2.421 2.567 . 0 0 "[ . 1 . 2]" 1
74 1 26 ASP H 1 26 ASP HB3 3.670 . 3.670 3.650 3.583 3.678 0.008 2 0 "[ . 1 . 2]" 1
75 1 8 SER HA 1 9 CYS H 2.560 . 2.560 2.257 2.158 2.353 . 0 0 "[ . 1 . 2]" 1
76 1 12 LYS H 1 12 LYS HB2 3.270 . 3.270 2.293 2.111 2.533 . 0 0 "[ . 1 . 2]" 1
77 1 17 CYS H 1 17 CYS HB2 3.390 . 3.390 2.325 2.149 2.563 . 0 0 "[ . 1 . 2]" 1
78 1 18 LYS H 1 18 LYS HB2 2.900 . 2.900 2.404 2.046 2.668 . 0 0 "[ . 1 . 2]" 1
79 1 18 LYS H 1 18 LYS HB3 2.900 . 2.900 2.557 2.237 3.250 0.350 14 0 "[ . 1 . 2]" 1
80 1 27 ARG H 1 27 ARG HB2 3.610 . 3.610 3.612 3.524 3.652 0.042 12 0 "[ . 1 . 2]" 1
81 1 5 TRP H 1 5 TRP HB3 2.870 . 2.870 2.235 2.076 2.401 . 0 0 "[ . 1 . 2]" 1
82 1 5 TRP H 1 5 TRP HB2 3.200 . 3.200 3.421 3.346 3.465 0.265 4 0 "[ . 1 . 2]" 1
83 1 17 CYS HB2 1 18 LYS H 3.480 . 3.480 3.412 2.865 3.558 0.078 8 0 "[ . 1 . 2]" 1
84 1 28 TRP HA 1 28 TRP HB2 2.900 . 2.900 2.486 2.444 2.539 . 0 0 "[ . 1 . 2]" 1
85 1 28 TRP HA 1 28 TRP HB3 2.900 . 2.900 2.434 2.349 2.501 . 0 0 "[ . 1 . 2]" 1
86 1 6 PHE HB2 1 7 LYS H 4.320 . 4.320 3.940 3.509 4.358 0.038 17 0 "[ . 1 . 2]" 1
87 1 6 PHE HB3 1 7 LYS H 4.320 . 4.320 3.920 3.419 4.236 . 0 0 "[ . 1 . 2]" 1
88 1 25 ARG H 1 26 ASP H 3.020 . 3.020 2.585 2.375 2.710 . 0 0 "[ . 1 . 2]" 1
89 1 7 LYS H 1 7 LYS HB3 3.500 . 3.500 3.510 3.477 3.532 0.032 15 0 "[ . 1 . 2]" 1
90 1 21 THR HB 1 22 CYS H 3.610 . 3.610 3.711 3.670 3.759 0.149 4 0 "[ . 1 . 2]" 1
91 1 20 TYR HB2 1 21 THR H 3.640 . 3.640 3.637 3.483 3.713 0.073 18 0 "[ . 1 . 2]" 1
92 1 14 ASP HB2 1 15 LYS H 4.010 . 4.010 3.945 3.585 4.081 0.071 4 0 "[ . 1 . 2]" 1
93 1 22 CYS HB2 1 23 SER H 3.950 . 3.950 4.049 4.004 4.159 0.209 12 0 "[ . 1 . 2]" 1
94 1 1 ASP HB3 1 2 CYS H 3.760 . 3.760 2.355 1.967 2.785 . 0 0 "[ . 1 . 2]" 1
95 1 1 ASP HB2 1 2 CYS H 3.760 . 3.760 3.539 3.158 3.809 0.049 12 0 "[ . 1 . 2]" 1
96 1 9 CYS HB2 1 10 ASP H 3.300 . 3.300 2.047 1.884 3.419 0.119 9 0 "[ . 1 . 2]" 1
97 1 14 ASP HB3 1 15 LYS H 4.010 . 4.010 3.838 2.686 4.122 0.112 1 0 "[ . 1 . 2]" 1
98 1 22 CYS HB3 1 23 SER H 3.950 . 3.950 3.711 3.072 4.025 0.075 1 0 "[ . 1 . 2]" 1
99 1 18 LYS HB3 1 19 ASN H 3.890 . 3.890 3.486 2.293 3.821 . 0 0 "[ . 1 . 2]" 1
100 1 18 LYS HB2 1 19 ASN H 3.890 . 3.890 3.845 3.559 3.940 0.050 13 0 "[ . 1 . 2]" 1
101 1 7 LYS HB2 1 8 SER H 3.580 . 3.580 3.641 3.589 3.680 0.100 19 0 "[ . 1 . 2]" 1
102 1 26 ASP HB3 1 28 TRP H 4.010 . 4.010 3.297 2.969 3.517 . 0 0 "[ . 1 . 2]" 1
103 1 26 ASP HB2 1 28 TRP H 4.010 . 4.010 2.552 2.365 2.846 . 0 0 "[ . 1 . 2]" 1
104 1 25 ARG HB3 1 26 ASP H 3.580 . 3.580 2.192 2.049 2.451 . 0 0 "[ . 1 . 2]" 1
105 1 12 LYS HB3 1 13 ASN H 3.890 . 3.890 3.503 2.915 3.950 0.060 2 0 "[ . 1 . 2]" 1
106 1 25 ARG HB2 1 26 ASP H 3.580 . 3.580 3.579 3.466 3.659 0.079 12 0 "[ . 1 . 2]" 1
107 1 30 LYS HB3 1 31 TYR H 3.700 . 3.700 2.206 1.903 2.511 . 0 0 "[ . 1 . 2]" 1
108 1 30 LYS HB2 1 31 TYR H 3.700 . 3.700 3.429 2.944 3.723 0.023 1 0 "[ . 1 . 2]" 1
109 1 23 SER HB2 1 26 ASP H 4.070 . 4.070 3.732 2.969 4.088 0.018 9 0 "[ . 1 . 2]" 1
110 1 9 CYS H 1 28 TRP HA 3.050 . 3.050 2.640 2.045 3.082 0.032 4 0 "[ . 1 . 2]" 1
111 1 32 ASP H 1 33 LEU H 3.390 . 3.390 2.524 1.709 3.453 0.063 17 0 "[ . 1 . 2]" 1
112 1 27 ARG H 1 28 TRP H 3.240 . 3.240 2.610 2.426 2.841 . 0 0 "[ . 1 . 2]" 1
113 1 26 ASP H 1 27 ARG H 2.900 . 2.900 2.269 2.113 2.400 . 0 0 "[ . 1 . 2]" 1
114 1 12 LYS H 1 13 ASN H 2.770 . 2.770 2.207 2.002 2.426 . 0 0 "[ . 1 . 2]" 1
115 1 13 ASN H 1 14 ASP H 3.360 . 3.360 3.276 2.532 3.437 0.077 6 0 "[ . 1 . 2]" 1
116 1 24 ARG H 1 25 ARG H 3.140 . 3.140 2.127 1.901 2.400 . 0 0 "[ . 1 . 2]" 1
117 1 15 LYS H 1 16 CYS H 3.080 . 3.080 2.080 1.672 2.284 . 0 0 "[ . 1 . 2]" 1
118 1 6 PHE H 1 7 LYS H 3.270 . 3.270 2.752 2.387 2.912 . 0 0 "[ . 1 . 2]" 1
119 1 3 LEU H 1 17 CYS H 3.420 . 3.420 3.380 3.204 3.491 0.071 18 0 "[ . 1 . 2]" 1
120 1 21 THR H 1 30 LYS H 3.240 . 3.240 2.756 2.573 2.925 . 0 0 "[ . 1 . 2]" 1
121 1 19 ASN H 1 20 TYR H 3.330 . 3.330 2.993 2.883 3.079 . 0 0 "[ . 1 . 2]" 1
122 1 5 TRP H 1 6 PHE H 4.260 . 4.260 4.342 4.301 4.374 0.114 20 0 "[ . 1 . 2]" 1
123 1 7 LYS H 1 8 SER H 4.250 . 4.250 4.363 4.334 4.402 0.152 20 0 "[ . 1 . 2]" 1
124 1 9 CYS HA 1 10 ASP H 3.080 . 3.080 2.504 2.311 2.610 . 0 0 "[ . 1 . 2]" 1
125 1 9 CYS H 1 10 ASP H 4.820 . 4.820 4.203 4.135 4.277 . 0 0 "[ . 1 . 2]" 1
126 1 9 CYS HB3 1 10 ASP H 3.300 . 3.300 3.368 3.112 3.403 0.103 11 0 "[ . 1 . 2]" 1
127 1 12 LYS HB2 1 13 ASN H 3.890 . 3.890 3.454 2.809 3.947 0.057 17 0 "[ . 1 . 2]" 1
128 1 17 CYS HB3 1 18 LYS H 3.480 . 3.480 2.220 1.980 2.572 . 0 0 "[ . 1 . 2]" 1
129 1 20 TYR HB3 1 21 THR H 3.640 . 3.640 2.713 2.389 2.992 . 0 0 "[ . 1 . 2]" 1
130 1 22 CYS H 1 23 SER H 4.660 . 4.660 4.395 4.167 4.503 . 0 0 "[ . 1 . 2]" 1
131 1 23 SER H 1 29 CYS HA 3.670 . 3.670 2.711 2.396 3.317 . 0 0 "[ . 1 . 2]" 1
132 1 23 SER HB3 1 26 ASP H 4.070 . 4.070 2.814 2.644 3.045 . 0 0 "[ . 1 . 2]" 1
133 1 26 ASP HA 1 27 ARG H 3.450 . 3.450 3.415 3.330 3.476 0.026 17 0 "[ . 1 . 2]" 1
134 1 29 CYS H 1 29 CYS HB3 3.300 . 3.300 2.813 2.385 3.440 0.140 14 0 "[ . 1 . 2]" 1
135 1 29 CYS H 1 30 LYS H 4.450 . 4.450 4.495 4.474 4.516 0.066 5 0 "[ . 1 . 2]" 1
136 1 17 CYS H 1 18 LYS H 4.350 . 4.350 4.442 4.400 4.493 0.143 14 0 "[ . 1 . 2]" 1
137 1 22 CYS HA 1 30 LYS H 3.670 . 3.670 3.485 3.149 3.695 0.025 4 0 "[ . 1 . 2]" 1
138 1 30 LYS H 1 31 TYR H 4.660 . 4.660 4.341 4.278 4.380 . 0 0 "[ . 1 . 2]" 1
139 1 31 TYR H 1 32 ASP H 4.380 . 4.380 4.382 4.283 4.451 0.071 5 0 "[ . 1 . 2]" 1
140 1 20 TYR HA 1 31 TYR HA 3.140 . 3.140 2.111 1.938 2.265 . 0 0 "[ . 1 . 2]" 1
141 1 4 GLY H 1 5 TRP H 4.450 . 4.450 4.528 4.496 4.563 0.113 8 0 "[ . 1 . 2]" 1
142 1 21 THR H 1 32 ASP H 4.320 . 4.320 3.537 3.185 4.173 . 0 0 "[ . 1 . 2]" 1
143 1 20 TYR H 1 21 THR H 4.690 . 4.690 4.462 4.407 4.534 . 0 0 "[ . 1 . 2]" 1
144 1 18 LYS H 1 19 ASN H 4.290 . 4.290 4.422 4.339 4.465 0.175 8 0 "[ . 1 . 2]" 1
145 1 14 ASP H 1 15 LYS H 4.480 . 4.480 4.439 4.314 4.539 0.059 2 0 "[ . 1 . 2]" 1
146 1 8 SER H 1 9 CYS H 4.630 . 4.630 4.561 4.441 4.634 0.004 6 0 "[ . 1 . 2]" 1
147 1 25 ARG H 1 27 ARG H 4.380 . 4.380 3.498 3.189 3.759 . 0 0 "[ . 1 . 2]" 1
148 1 23 SER H 1 24 ARG H 4.600 . 4.600 4.431 4.118 4.588 . 0 0 "[ . 1 . 2]" 1
149 1 15 LYS HB2 1 16 CYS H 4.540 . 4.540 3.808 3.284 4.389 . 0 0 "[ . 1 . 2]" 1
150 1 15 LYS HB3 1 16 CYS H 4.540 . 4.540 4.135 2.138 4.404 . 0 0 "[ . 1 . 2]" 1
151 1 27 ARG HA 1 28 TRP HA 4.540 . 4.540 4.271 4.140 4.371 . 0 0 "[ . 1 . 2]" 1
152 1 10 ASP HA 1 13 ASN H 4.420 . 4.420 4.401 4.248 4.496 0.076 6 0 "[ . 1 . 2]" 1
153 1 2 CYS HB3 1 3 LEU H 3.360 . 3.360 3.382 3.342 3.410 0.050 15 0 "[ . 1 . 2]" 1
154 1 2 CYS HB2 1 3 LEU H 3.360 . 3.360 1.940 1.775 2.075 . 0 0 "[ . 1 . 2]" 1
155 1 2 CYS HA 1 3 LEU H 2.560 . 2.560 2.518 2.381 2.632 0.072 18 0 "[ . 1 . 2]" 1
156 1 3 LEU HB2 1 4 GLY H 3.860 . 3.860 3.732 3.544 3.966 0.106 18 0 "[ . 1 . 2]" 1
157 1 5 TRP HB2 1 6 PHE H 4.320 . 4.320 2.365 2.092 2.551 . 0 0 "[ . 1 . 2]" 1
158 1 5 TRP HB3 1 6 PHE H 4.320 . 4.320 3.716 3.580 3.846 . 0 0 "[ . 1 . 2]" 1
159 1 7 LYS HB3 1 8 SER H 3.580 . 3.580 2.688 2.493 2.829 . 0 0 "[ . 1 . 2]" 1
160 1 16 CYS H 1 17 CYS H 4.510 . 4.510 4.513 4.422 4.585 0.075 6 0 "[ . 1 . 2]" 1
161 1 11 PRO HA 1 13 ASN H 4.040 . 4.040 4.075 3.954 4.130 0.090 8 0 "[ . 1 . 2]" 1
162 1 2 CYS HA 1 2 CYS HB2 2.930 . 2.930 2.441 2.336 2.532 . 0 0 "[ . 1 . 2]" 1
163 1 2 CYS HA 1 2 CYS HB3 2.930 . 2.930 2.358 2.286 2.480 . 0 0 "[ . 1 . 2]" 1
164 1 10 ASP HA 1 12 LYS H 4.230 . 4.230 4.040 3.708 4.234 0.004 20 0 "[ . 1 . 2]" 1
165 1 10 ASP H 1 14 ASP HA 4.140 . 4.140 3.623 2.354 4.165 0.025 13 0 "[ . 1 . 2]" 1
166 1 20 TYR HA 1 32 ASP H 3.080 . 3.080 2.537 2.200 3.074 . 0 0 "[ . 1 . 2]" 1
167 1 27 ARG H 1 27 ARG HG3 4.040 . 4.040 3.026 2.773 3.291 . 0 0 "[ . 1 . 2]" 1
168 1 27 ARG H 1 27 ARG HG2 4.040 . 4.040 3.591 3.249 4.221 0.181 1 0 "[ . 1 . 2]" 1
169 1 7 LYS H 1 7 LYS HG3 3.450 . 3.450 3.523 3.494 3.562 0.112 14 0 "[ . 1 . 2]" 1
170 1 5 TRP HD1 1 6 PHE HA 5.130 . 5.130 3.621 3.053 4.046 . 0 0 "[ . 1 . 2]" 1
171 1 3 LEU H 1 3 LEU HG 2.990 . 2.990 2.016 1.847 2.191 . 0 0 "[ . 1 . 2]" 1
172 1 10 ASP HA 1 11 PRO HD2 3.050 . 3.050 2.189 2.062 2.366 . 0 0 "[ . 1 . 2]" 1
173 1 10 ASP HA 1 11 PRO HD3 3.050 . 3.050 2.417 2.051 2.662 . 0 0 "[ . 1 . 2]" 1
174 1 5 TRP HA 1 20 TYR QD 7.350 . 7.350 4.828 3.938 5.432 . 0 0 "[ . 1 . 2]" 1
175 1 7 LYS HA 1 7 LYS HD2 3.860 . 3.860 2.923 2.150 3.259 . 0 0 "[ . 1 . 2]" 1
176 1 7 LYS HA 1 7 LYS HD3 3.860 . 3.860 2.547 2.075 3.869 0.009 6 0 "[ . 1 . 2]" 1
177 1 26 ASP HB3 1 28 TRP HE1 5.500 . 5.500 3.460 2.883 4.094 . 0 0 "[ . 1 . 2]" 1
178 1 5 TRP HE1 1 31 TYR HB3 5.500 . 5.500 5.082 3.970 5.500 0.000 11 0 "[ . 1 . 2]" 1
179 1 5 TRP HE1 1 30 LYS HB2 5.500 . 5.500 5.623 5.575 5.688 0.188 16 0 "[ . 1 . 2]" 1
180 1 26 ASP HB2 1 28 TRP HE1 5.500 . 5.500 4.204 3.876 4.530 . 0 0 "[ . 1 . 2]" 1
181 1 27 ARG HB3 1 27 ARG HE 5.160 . 5.160 3.349 2.090 4.490 . 0 0 "[ . 1 . 2]" 1
182 1 31 TYR HA 1 31 TYR QE 5.840 . 5.840 4.625 4.367 4.843 . 0 0 "[ . 1 . 2]" 1
183 1 20 TYR QE 1 31 TYR HA 7.630 . 7.630 4.022 3.478 4.694 . 0 0 "[ . 1 . 2]" 1
184 1 20 TYR QD 1 30 LYS HA 7.600 . 7.600 3.895 3.100 5.684 . 0 0 "[ . 1 . 2]" 1
185 1 28 TRP HD1 1 30 LYS HA 5.100 . 5.100 4.057 3.792 4.717 . 0 0 "[ . 1 . 2]" 1
186 1 5 TRP HD1 1 30 LYS HA 3.730 . 3.730 1.837 1.746 1.946 . 0 0 "[ . 1 . 2]" 1
187 1 31 TYR QE 1 32 ASP H 7.110 . 7.110 4.833 4.428 5.062 . 0 0 "[ . 1 . 2]" 1
188 1 5 TRP H 1 20 TYR QE 7.540 . 7.540 4.326 3.373 5.276 . 0 0 "[ . 1 . 2]" 1
189 1 5 TRP HD1 1 20 TYR QE 7.040 . 7.040 5.697 4.573 6.943 . 0 0 "[ . 1 . 2]" 1
190 1 5 TRP HD1 1 20 TYR QD 7.630 . 7.630 4.873 4.105 6.208 . 0 0 "[ . 1 . 2]" 1
191 1 6 PHE HZ 1 28 TRP HZ2 5.310 . 5.310 4.753 3.614 5.344 0.034 15 0 "[ . 1 . 2]" 1
192 1 20 TYR QD 1 31 TYR H 7.630 . 7.630 3.434 2.762 5.047 . 0 0 "[ . 1 . 2]" 1
193 1 5 TRP HD1 1 6 PHE H 3.700 . 3.700 2.639 2.349 2.926 . 0 0 "[ . 1 . 2]" 1
194 1 20 TYR QD 1 21 THR H 7.630 . 7.630 4.103 3.834 4.467 . 0 0 "[ . 1 . 2]" 1
195 1 17 CYS H 1 20 TYR QD 7.630 . 7.630 3.449 2.417 4.369 . 0 0 "[ . 1 . 2]" 1
196 1 5 TRP HE1 1 31 TYR H 4.320 . 4.320 3.770 3.012 4.082 . 0 0 "[ . 1 . 2]" 1
197 1 6 PHE HZ 1 28 TRP HE1 5.070 . 5.070 4.823 4.285 5.141 0.071 5 0 "[ . 1 . 2]" 1
198 1 3 LEU HA 1 3 LEU HG 4.200 . 4.200 3.235 3.169 3.319 . 0 0 "[ . 1 . 2]" 1
199 1 7 LYS H 1 7 LYS HG2 3.450 . 3.450 2.189 2.099 2.386 . 0 0 "[ . 1 . 2]" 1
200 1 27 ARG HB2 1 27 ARG HE 5.160 . 5.160 3.324 1.929 4.460 . 0 0 "[ . 1 . 2]" 1
201 1 28 TRP HA 1 28 TRP HD1 5.000 . 5.000 4.303 4.224 4.515 . 0 0 "[ . 1 . 2]" 1
202 1 5 TRP HE1 1 30 LYS HA 4.510 . 4.510 3.688 3.439 3.998 . 0 0 "[ . 1 . 2]" 1
203 1 5 TRP HE1 1 6 PHE QD 7.630 . 7.630 3.805 3.049 4.599 . 0 0 "[ . 1 . 2]" 1
204 1 5 TRP HE1 1 31 TYR HB2 5.500 . 5.500 4.840 3.924 5.399 . 0 0 "[ . 1 . 2]" 1
205 1 6 PHE H 1 28 TRP HD1 5.500 . 5.500 3.048 2.684 3.539 . 0 0 "[ . 1 . 2]" 1
206 1 20 TYR QD 1 30 LYS H 7.630 . 7.630 4.897 4.423 5.679 . 0 0 "[ . 1 . 2]" 1
207 1 6 PHE QD 1 28 TRP HZ2 7.630 . 7.630 4.074 3.202 5.045 . 0 0 "[ . 1 . 2]" 1
208 1 5 TRP HD1 1 6 PHE QD 7.630 . 7.630 3.782 3.280 4.217 . 0 0 "[ . 1 . 2]" 1
209 1 20 TYR QE 1 31 TYR H 7.630 . 7.630 4.577 3.736 6.081 . 0 0 "[ . 1 . 2]" 1
210 1 6 PHE QD 1 28 TRP H 7.630 . 7.630 6.827 6.330 7.271 . 0 0 "[ . 1 . 2]" 1
211 1 5 TRP HD1 1 31 TYR H 5.500 . 5.500 3.505 3.019 3.843 . 0 0 "[ . 1 . 2]" 1
212 1 5 TRP H 1 5 TRP HD1 5.500 . 5.500 4.945 4.691 5.075 . 0 0 "[ . 1 . 2]" 1
213 1 6 PHE H 1 20 TYR QD 7.630 . 7.630 5.794 5.402 6.356 . 0 0 "[ . 1 . 2]" 1
214 1 19 ASN H 1 20 TYR QD 7.630 . 7.630 5.173 4.904 5.608 . 0 0 "[ . 1 . 2]" 1
215 1 18 LYS H 1 20 TYR QD 7.630 . 7.630 4.309 3.928 5.244 . 0 0 "[ . 1 . 2]" 1
216 1 6 PHE H 1 20 TYR QE 7.630 . 7.630 6.799 6.311 7.377 . 0 0 "[ . 1 . 2]" 1
217 1 5 TRP HE3 1 6 PHE H 5.500 . 5.500 5.502 5.417 5.551 0.051 12 0 "[ . 1 . 2]" 1
218 1 5 TRP HE1 1 20 TYR QE 7.630 . 7.630 5.608 4.556 7.189 . 0 0 "[ . 1 . 2]" 1
219 1 5 TRP HE1 1 6 PHE HA 5.500 . 5.500 5.324 4.892 5.574 0.074 12 0 "[ . 1 . 2]" 1
220 1 5 TRP HE1 1 30 LYS HB3 5.500 . 5.500 4.163 3.884 4.483 . 0 0 "[ . 1 . 2]" 1
221 1 7 LYS HG3 1 8 SER H 5.500 . 5.500 5.024 4.805 5.169 . 0 0 "[ . 1 . 2]" 1
222 1 5 TRP HB2 1 6 PHE QD 7.630 . 7.630 5.347 4.852 6.051 . 0 0 "[ . 1 . 2]" 1
223 1 5 TRP HB3 1 6 PHE QD 7.630 . 7.630 6.011 5.237 6.963 . 0 0 "[ . 1 . 2]" 1
224 1 20 TYR QD 1 31 TYR HA 6.450 . 6.450 2.346 1.973 2.895 . 0 0 "[ . 1 . 2]" 1
225 1 20 TYR HA 1 31 TYR QE 7.630 . 7.630 5.383 4.558 6.022 . 0 0 "[ . 1 . 2]" 1
226 1 20 TYR QE 1 30 LYS HA 7.630 . 7.630 5.379 4.486 6.849 . 0 0 "[ . 1 . 2]" 1
227 1 5 TRP HA 1 20 TYR QE 6.920 . 6.920 5.833 4.913 6.715 . 0 0 "[ . 1 . 2]" 1
228 1 7 LYS HG2 1 8 SER H 5.500 . 5.500 4.829 4.625 5.015 . 0 0 "[ . 1 . 2]" 1
229 1 20 TYR QD 1 32 ASP H 7.630 . 7.630 4.192 3.441 4.847 . 0 0 "[ . 1 . 2]" 1
230 1 3 LEU HG 1 16 CYS HA 5.280 . 5.280 2.979 2.501 3.455 . 0 0 "[ . 1 . 2]" 1
231 1 2 CYS HB3 1 17 CYS HA 3.450 . 3.450 3.300 2.941 3.502 0.052 19 0 "[ . 1 . 2]" 1
232 1 2 CYS HB2 1 17 CYS HA 3.450 . 3.450 3.023 2.585 3.511 0.061 4 0 "[ . 1 . 2]" 1
233 1 3 LEU H 1 3 LEU MD1 5.460 . 5.460 3.505 3.385 3.664 . 0 0 "[ . 1 . 2]" 1
234 1 3 LEU H 1 3 LEU MD2 5.460 . 5.460 3.131 3.021 3.262 . 0 0 "[ . 1 . 2]" 1
235 1 21 THR MG 1 22 CYS H 5.060 . 5.060 2.576 2.092 3.700 . 0 0 "[ . 1 . 2]" 1
236 1 21 THR MG 1 30 LYS H 6.520 . 6.520 4.680 3.515 5.171 . 0 0 "[ . 1 . 2]" 1
237 1 21 THR MG 1 32 ASP H 6.520 . 6.520 4.919 2.933 5.933 . 0 0 "[ . 1 . 2]" 1
238 1 3 LEU MD1 1 15 LYS HA 6.520 . 6.520 4.276 4.109 4.399 . 0 0 "[ . 1 . 2]" 1
239 1 3 LEU MD2 1 15 LYS HA 6.520 . 6.520 5.352 4.976 6.039 . 0 0 "[ . 1 . 2]" 1
240 1 21 THR MG 1 32 ASP HB3 6.430 . 6.430 3.633 1.871 5.161 . 0 0 "[ . 1 . 2]" 1
241 1 21 THR MG 1 32 ASP HB2 6.430 . 6.430 3.993 2.644 6.379 . 0 0 "[ . 1 . 2]" 1
242 1 21 THR MG 1 23 SER HA 6.240 . 6.240 4.308 3.530 4.737 . 0 0 "[ . 1 . 2]" 1
243 1 1 ASP QB 1 2 CYS H 3.290 . 3.290 2.320 1.948 2.720 . 0 0 "[ . 1 . 2]" 1
244 1 2 CYS H 1 2 CYS QB 3.140 . 3.140 2.936 2.592 3.161 0.021 18 0 "[ . 1 . 2]" 1
245 1 2 CYS HA 1 2 CYS QB 2.550 . 2.550 2.131 2.102 2.175 . 0 0 "[ . 1 . 2]" 1
246 1 2 CYS QB 1 3 LEU H 2.710 . 2.710 1.928 1.768 2.057 . 0 0 "[ . 1 . 2]" 1
247 1 2 CYS QB 1 3 LEU HG 3.440 . 3.440 3.589 3.546 3.629 0.189 10 0 "[ . 1 . 2]" 1
248 1 2 CYS QB 1 17 CYS H 5.230 . 5.230 2.806 2.517 3.276 . 0 0 "[ . 1 . 2]" 1
249 1 2 CYS QB 1 17 CYS HA 3.000 . 3.000 2.778 2.427 3.041 0.041 4 0 "[ . 1 . 2]" 1
250 1 3 LEU H 1 3 LEU QB 2.770 . 2.770 2.446 2.293 2.566 . 0 0 "[ . 1 . 2]" 1
251 1 3 LEU HA 1 3 LEU QD 3.880 . 3.880 2.225 2.119 2.310 . 0 0 "[ . 1 . 2]" 1
252 1 3 LEU HA 1 7 LYS QG 5.050 . 5.050 3.808 3.284 4.352 . 0 0 "[ . 1 . 2]" 1
253 1 3 LEU QB 1 4 GLY H 3.310 . 3.310 2.830 2.609 3.227 . 0 0 "[ . 1 . 2]" 1
254 1 3 LEU QB 1 7 LYS QB 3.500 . 3.500 2.624 2.051 3.376 . 0 0 "[ . 1 . 2]" 1
255 1 3 LEU QB 1 15 LYS QB 4.970 . 4.970 3.931 3.672 4.279 . 0 0 "[ . 1 . 2]" 1
256 1 3 LEU QB 1 16 CYS HA 3.150 . 3.150 2.237 1.920 2.636 . 0 0 "[ . 1 . 2]" 1
257 1 3 LEU QB 1 17 CYS H 4.070 . 4.070 3.853 3.611 4.143 0.073 17 0 "[ . 1 . 2]" 1
258 1 3 LEU HG 1 15 LYS QB 4.000 . 4.000 2.627 2.174 3.292 . 0 0 "[ . 1 . 2]" 1
259 1 3 LEU QD 1 4 GLY H 5.380 . 5.380 3.761 3.543 3.915 . 0 0 "[ . 1 . 2]" 1
260 1 3 LEU QD 1 7 LYS QB 4.310 . 4.310 2.586 2.187 3.674 . 0 0 "[ . 1 . 2]" 1
261 1 3 LEU QD 1 7 LYS QE 5.880 . 5.880 4.254 2.360 5.401 . 0 0 "[ . 1 . 2]" 1
262 1 3 LEU QD 1 9 CYS H 6.420 . 6.420 5.081 4.357 6.394 . 0 0 "[ . 1 . 2]" 1
263 1 3 LEU QD 1 9 CYS HA 4.770 . 4.770 3.824 2.983 4.797 0.027 10 0 "[ . 1 . 2]" 1
264 1 3 LEU QD 1 9 CYS QB 4.170 . 4.170 2.836 1.992 4.160 . 0 0 "[ . 1 . 2]" 1
265 1 3 LEU QD 1 10 ASP H 6.240 . 6.240 4.903 4.027 5.795 . 0 0 "[ . 1 . 2]" 1
266 1 3 LEU QD 1 14 ASP QB 5.800 . 5.800 5.654 4.484 5.935 0.135 19 0 "[ . 1 . 2]" 1
267 1 3 LEU QD 1 15 LYS H 5.730 . 5.730 3.336 2.579 3.566 . 0 0 "[ . 1 . 2]" 1
268 1 3 LEU QD 1 15 LYS QB 4.050 . 4.050 2.005 1.888 2.165 . 0 0 "[ . 1 . 2]" 1
269 1 3 LEU QD 1 15 LYS QG 4.470 . 4.470 3.254 2.213 3.785 . 0 0 "[ . 1 . 2]" 1
270 1 3 LEU QD 1 15 LYS QD 4.570 . 4.570 3.520 2.573 4.339 . 0 0 "[ . 1 . 2]" 1
271 1 3 LEU QD 1 16 CYS H 6.420 . 6.420 3.590 1.751 3.936 . 0 0 "[ . 1 . 2]" 1
272 1 3 LEU QD 1 16 CYS HA 5.850 . 5.850 3.167 2.830 3.428 . 0 0 "[ . 1 . 2]" 1
273 1 3 LEU QD 1 17 CYS H 6.420 . 6.420 4.881 4.680 5.125 . 0 0 "[ . 1 . 2]" 1
274 1 4 GLY H 1 4 GLY QA 2.580 . 2.580 2.207 2.182 2.236 . 0 0 "[ . 1 . 2]" 1
275 1 4 GLY H 1 7 LYS QG 3.560 . 3.560 3.006 2.431 3.589 0.029 17 0 "[ . 1 . 2]" 1
276 1 4 GLY QA 1 5 TRP HA 3.940 . 3.940 3.793 3.730 3.903 . 0 0 "[ . 1 . 2]" 1
277 1 4 GLY QA 1 5 TRP QB 4.230 . 4.230 3.827 3.740 3.897 . 0 0 "[ . 1 . 2]" 1
278 1 4 GLY QA 1 5 TRP HZ3 5.400 . 5.400 5.099 4.407 5.438 0.038 19 0 "[ . 1 . 2]" 1
279 1 4 GLY QA 1 20 TYR QD 7.310 . 7.310 4.350 3.009 5.483 . 0 0 "[ . 1 . 2]" 1
280 1 5 TRP H 1 5 TRP QB 2.440 . 2.440 2.207 2.057 2.358 . 0 0 "[ . 1 . 2]" 1
281 1 5 TRP HA 1 20 TYR QB 4.620 . 4.620 4.096 3.515 4.631 0.011 17 0 "[ . 1 . 2]" 1
282 1 5 TRP HA 1 29 CYS QB 5.110 . 5.110 2.293 1.845 3.749 . 0 0 "[ . 1 . 2]" 1
283 1 5 TRP QB 1 5 TRP HE3 3.570 . 3.570 2.714 2.515 2.885 . 0 0 "[ . 1 . 2]" 1
284 1 5 TRP QB 1 6 PHE H 3.790 . 3.790 2.340 2.078 2.517 . 0 0 "[ . 1 . 2]" 1
285 1 5 TRP QB 1 20 TYR QB 3.640 . 3.640 2.684 2.310 3.044 . 0 0 "[ . 1 . 2]" 1
286 1 5 TRP QB 1 20 TYR QD 6.600 . 6.600 2.753 2.277 3.336 . 0 0 "[ . 1 . 2]" 1
287 1 5 TRP QB 1 20 TYR QE 5.970 . 5.970 3.682 3.137 4.326 . 0 0 "[ . 1 . 2]" 1
288 1 5 TRP HD1 1 6 PHE QB 5.170 . 5.170 3.956 2.924 4.684 . 0 0 "[ . 1 . 2]" 1
289 1 5 TRP HD1 1 20 TYR QB 5.340 . 5.340 5.288 4.629 5.423 0.083 7 0 "[ . 1 . 2]" 1
290 1 5 TRP HE1 1 30 LYS QG 4.820 . 4.820 3.548 3.036 4.823 0.003 12 0 "[ . 1 . 2]" 1
291 1 5 TRP HE1 1 30 LYS QD 5.340 . 5.340 4.946 4.269 5.382 0.042 5 0 "[ . 1 . 2]" 1
292 1 5 TRP HE1 1 31 TYR QB 4.700 . 4.700 4.394 3.628 4.712 0.012 9 0 "[ . 1 . 2]" 1
293 1 6 PHE H 1 29 CYS QB 5.000 . 5.000 3.056 2.244 4.469 . 0 0 "[ . 1 . 2]" 1
294 1 6 PHE HA 1 28 TRP QB 3.600 . 3.600 2.948 2.452 3.614 0.014 8 0 "[ . 1 . 2]" 1
295 1 7 LYS H 1 7 LYS QB 2.620 . 2.620 2.398 2.330 2.472 . 0 0 "[ . 1 . 2]" 1
296 1 7 LYS H 1 7 LYS QG 2.990 . 2.990 2.168 2.084 2.349 . 0 0 "[ . 1 . 2]" 1
297 1 7 LYS H 1 7 LYS QD 3.850 . 3.850 3.495 3.206 3.858 0.008 17 0 "[ . 1 . 2]" 1
298 1 7 LYS H 1 29 CYS QB 4.910 . 4.910 3.325 2.538 4.937 0.027 15 0 "[ . 1 . 2]" 1
299 1 7 LYS QB 1 7 LYS QE 3.640 . 3.640 3.346 2.017 3.753 0.113 8 0 "[ . 1 . 2]" 1
300 1 7 LYS QB 1 8 SER H 2.930 . 2.930 2.620 2.450 2.738 . 0 0 "[ . 1 . 2]" 1
301 1 7 LYS QD 1 8 SER H 4.530 . 4.530 3.669 3.346 4.082 . 0 0 "[ . 1 . 2]" 1
302 1 8 SER H 1 8 SER QB 2.590 . 2.590 2.376 2.268 2.559 . 0 0 "[ . 1 . 2]" 1
303 1 8 SER QB 1 9 CYS H 3.470 . 3.470 3.117 2.810 3.519 0.049 9 0 "[ . 1 . 2]" 1
304 1 8 SER QB 1 28 TRP HA 5.340 . 5.340 4.346 3.993 4.760 . 0 0 "[ . 1 . 2]" 1
305 1 9 CYS H 1 9 CYS QB 3.240 . 3.240 3.155 2.810 3.280 0.040 13 0 "[ . 1 . 2]" 1
306 1 9 CYS H 1 28 TRP QB 5.080 . 5.080 3.882 3.467 4.230 . 0 0 "[ . 1 . 2]" 1
307 1 9 CYS QB 1 10 ASP H 2.760 . 2.760 2.008 1.876 2.887 0.127 9 0 "[ . 1 . 2]" 1
308 1 9 CYS QB 1 16 CYS H 4.910 . 4.910 4.385 3.228 4.964 0.054 20 0 "[ . 1 . 2]" 1
309 1 9 CYS QB 1 28 TRP HA 5.340 . 5.340 4.212 3.038 5.239 . 0 0 "[ . 1 . 2]" 1
310 1 10 ASP HA 1 11 PRO QD 2.660 . 2.660 2.022 1.933 2.119 . 0 0 "[ . 1 . 2]" 1
311 1 10 ASP QB 1 12 LYS H 4.060 . 4.060 3.587 3.165 3.935 . 0 0 "[ . 1 . 2]" 1
312 1 10 ASP QB 1 13 ASN H 3.380 . 3.380 2.657 2.275 3.027 . 0 0 "[ . 1 . 2]" 1
313 1 11 PRO HA 1 22 CYS QB 3.020 . 3.020 2.272 1.937 3.066 0.046 18 0 "[ . 1 . 2]" 1
314 1 11 PRO QB 1 12 LYS H 3.370 . 3.370 3.334 2.965 3.445 0.075 6 0 "[ . 1 . 2]" 1
315 1 11 PRO QB 1 24 ARG HA 4.380 . 4.380 3.931 3.168 4.442 0.062 10 0 "[ . 1 . 2]" 1
316 1 11 PRO QG 1 12 LYS H 3.320 . 3.320 2.785 2.604 3.328 0.008 6 0 "[ . 1 . 2]" 1
317 1 11 PRO QG 1 24 ARG QD 4.370 . 4.370 3.177 2.004 4.091 . 0 0 "[ . 1 . 2]" 1
318 1 11 PRO QD 1 12 LYS H 3.820 . 3.820 2.943 2.601 3.346 . 0 0 "[ . 1 . 2]" 1
319 1 12 LYS H 1 12 LYS QB 2.670 . 2.670 2.192 2.092 2.316 . 0 0 "[ . 1 . 2]" 1
320 1 12 LYS H 1 12 LYS QG 4.700 . 4.700 3.417 2.172 4.100 . 0 0 "[ . 1 . 2]" 1
321 1 12 LYS H 1 12 LYS QD 3.760 . 3.760 3.474 2.281 3.973 0.213 8 0 "[ . 1 . 2]" 1
322 1 12 LYS HA 1 12 LYS QD 4.120 . 4.120 2.616 1.782 4.119 . 0 0 "[ . 1 . 2]" 1
323 1 12 LYS QB 1 12 LYS QD 3.190 . 3.190 2.293 2.083 2.800 . 0 0 "[ . 1 . 2]" 1
324 1 12 LYS QB 1 13 ASN H 3.340 . 3.340 2.957 2.746 3.169 . 0 0 "[ . 1 . 2]" 1
325 1 13 ASN H 1 13 ASN QB 2.760 . 2.760 2.638 2.478 2.782 0.022 6 0 "[ . 1 . 2]" 1
326 1 13 ASN QB 1 13 ASN QD 2.870 . 2.870 2.204 2.088 2.710 . 0 0 "[ . 1 . 2]" 1
327 1 13 ASN QB 1 14 ASP H 4.270 . 4.270 3.958 3.780 4.028 . 0 0 "[ . 1 . 2]" 1
328 1 14 ASP QB 1 15 LYS H 3.430 . 3.430 3.448 2.614 3.598 0.168 7 0 "[ . 1 . 2]" 1
329 1 15 LYS H 1 15 LYS QB 2.880 . 2.880 2.535 2.411 2.723 . 0 0 "[ . 1 . 2]" 1
330 1 15 LYS H 1 15 LYS QG 4.470 . 4.470 3.307 2.736 4.292 . 0 0 "[ . 1 . 2]" 1
331 1 15 LYS H 1 15 LYS QD 4.470 . 4.470 3.939 2.196 4.586 0.116 18 0 "[ . 1 . 2]" 1
332 1 15 LYS HA 1 15 LYS QD 4.590 . 4.590 2.934 1.930 4.250 . 0 0 "[ . 1 . 2]" 1
333 1 15 LYS QB 1 16 CYS H 3.780 . 3.780 3.457 2.123 3.677 . 0 0 "[ . 1 . 2]" 1
334 1 16 CYS H 1 16 CYS QB 2.900 . 2.900 2.477 2.253 3.065 0.165 18 0 "[ . 1 . 2]" 1
335 1 16 CYS QB 1 17 CYS H 3.500 . 3.500 2.730 2.109 3.512 0.012 6 0 "[ . 1 . 2]" 1
336 1 16 CYS QB 1 20 TYR QB 3.470 . 3.470 2.905 1.958 3.555 0.085 1 0 "[ . 1 . 2]" 1
337 1 17 CYS H 1 17 CYS QB 2.780 . 2.780 2.290 2.129 2.500 . 0 0 "[ . 1 . 2]" 1
338 1 17 CYS QB 1 18 LYS H 2.760 . 2.760 2.190 1.969 2.515 . 0 0 "[ . 1 . 2]" 1
339 1 17 CYS QB 1 20 TYR QD 6.800 . 6.800 2.388 1.910 3.203 . 0 0 "[ . 1 . 2]" 1
340 1 18 LYS H 1 18 LYS QB 2.520 . 2.520 2.180 2.025 2.276 . 0 0 "[ . 1 . 2]" 1
341 1 18 LYS H 1 18 LYS QD 4.730 . 4.730 4.422 3.948 4.659 . 0 0 "[ . 1 . 2]" 1
342 1 18 LYS H 1 18 LYS QE 4.940 . 4.940 3.909 3.122 4.488 . 0 0 "[ . 1 . 2]" 1
343 1 18 LYS HA 1 18 LYS QD 3.620 . 3.620 2.632 1.992 3.798 0.178 9 0 "[ . 1 . 2]" 1
344 1 18 LYS QB 1 19 ASN H 3.370 . 3.370 3.223 2.267 3.420 0.050 20 0 "[ . 1 . 2]" 1
345 1 18 LYS QB 1 20 TYR H 4.560 . 4.560 4.488 4.188 4.577 0.017 18 0 "[ . 1 . 2]" 1
346 1 18 LYS QD 1 19 ASN H 4.090 . 4.090 2.426 1.697 4.040 . 0 0 "[ . 1 . 2]" 1
347 1 19 ASN H 1 19 ASN QB 3.440 . 3.440 3.341 3.088 3.485 0.045 15 0 "[ . 1 . 2]" 1
348 1 19 ASN QB 1 19 ASN QD 2.990 . 2.990 2.267 2.126 2.736 . 0 0 "[ . 1 . 2]" 1
349 1 19 ASN QB 1 20 TYR H 3.650 . 3.650 2.855 2.590 3.036 . 0 0 "[ . 1 . 2]" 1
350 1 19 ASN QB 1 31 TYR QE 7.320 . 7.320 2.916 2.081 4.961 . 0 0 "[ . 1 . 2]" 1
351 1 20 TYR H 1 20 TYR QB 2.900 . 2.900 2.469 2.347 2.580 . 0 0 "[ . 1 . 2]" 1
352 1 20 TYR QB 1 21 THR H 2.920 . 2.920 2.639 2.349 2.871 . 0 0 "[ . 1 . 2]" 1
353 1 20 TYR QD 1 31 TYR QB 7.310 . 7.310 2.754 2.203 3.544 . 0 0 "[ . 1 . 2]" 1
354 1 20 TYR QE 1 31 TYR QB 6.230 . 6.230 2.797 2.221 3.992 . 0 0 "[ . 1 . 2]" 1
355 1 21 THR H 1 30 LYS QB 5.340 . 5.340 4.315 4.005 4.602 . 0 0 "[ . 1 . 2]" 1
356 1 21 THR MG 1 32 ASP QB 5.610 . 5.610 3.241 1.857 4.953 . 0 0 "[ . 1 . 2]" 1
357 1 23 SER H 1 23 SER QB 2.600 . 2.600 2.282 2.147 2.409 . 0 0 "[ . 1 . 2]" 1
358 1 23 SER HA 1 23 SER QB 2.630 . 2.630 2.347 2.291 2.406 . 0 0 "[ . 1 . 2]" 1
359 1 23 SER QB 1 24 ARG H 3.910 . 3.910 3.684 3.260 3.921 0.011 7 0 "[ . 1 . 2]" 1
360 1 23 SER QB 1 26 ASP H 3.320 . 3.320 2.732 2.487 2.914 . 0 0 "[ . 1 . 2]" 1
361 1 23 SER QB 1 26 ASP QB 3.930 . 3.930 2.169 2.017 2.628 . 0 0 "[ . 1 . 2]" 1
362 1 23 SER QB 1 28 TRP H 3.520 . 3.520 2.746 2.473 3.115 . 0 0 "[ . 1 . 2]" 1
363 1 23 SER QB 1 28 TRP HD1 4.440 . 4.440 4.366 4.050 4.491 0.051 5 0 "[ . 1 . 2]" 1
364 1 23 SER QB 1 30 LYS QG 4.060 . 4.060 3.373 2.798 4.071 0.011 11 0 "[ . 1 . 2]" 1
365 1 23 SER QB 1 30 LYS QD 3.810 . 3.810 3.195 2.309 3.777 . 0 0 "[ . 1 . 2]" 1
366 1 24 ARG H 1 24 ARG QB 2.600 . 2.600 2.278 2.134 2.390 . 0 0 "[ . 1 . 2]" 1
367 1 24 ARG H 1 24 ARG QG 4.820 . 4.820 3.980 2.934 4.156 . 0 0 "[ . 1 . 2]" 1
368 1 24 ARG H 1 24 ARG QD 5.340 . 5.340 4.388 4.031 4.682 . 0 0 "[ . 1 . 2]" 1
369 1 24 ARG HA 1 24 ARG QB 2.560 . 2.560 2.443 2.332 2.532 . 0 0 "[ . 1 . 2]" 1
370 1 24 ARG HA 1 24 ARG QD 4.910 . 4.910 2.368 1.976 2.952 . 0 0 "[ . 1 . 2]" 1
371 1 24 ARG QB 1 24 ARG QG 2.130 . 2.130 2.001 1.987 2.014 . 0 0 "[ . 1 . 2]" 1
372 1 24 ARG QB 1 24 ARG QD 3.140 . 3.140 2.456 2.305 2.871 . 0 0 "[ . 1 . 2]" 1
373 1 24 ARG QB 1 25 ARG H 3.080 . 3.080 2.859 2.593 3.088 0.008 2 0 "[ . 1 . 2]" 1
374 1 24 ARG QD 1 27 ARG QB 4.910 . 4.910 4.842 4.362 5.040 0.130 19 0 "[ . 1 . 2]" 1
375 1 24 ARG QD 1 27 ARG QG 3.690 . 3.690 3.164 2.765 3.553 . 0 0 "[ . 1 . 2]" 1
376 1 25 ARG H 1 25 ARG QG 3.800 . 3.800 3.884 3.856 3.913 0.113 2 0 "[ . 1 . 2]" 1
377 1 25 ARG HA 1 25 ARG QG 3.720 . 3.720 2.542 2.371 2.965 . 0 0 "[ . 1 . 2]" 1
378 1 25 ARG QB 1 26 ASP H 3.010 . 3.010 2.173 2.035 2.403 . 0 0 "[ . 1 . 2]" 1
379 1 26 ASP H 1 26 ASP QB 2.970 . 2.970 2.471 2.388 2.520 . 0 0 "[ . 1 . 2]" 1
380 1 26 ASP QB 1 28 TRP HD1 5.020 . 5.020 3.700 3.232 4.117 . 0 0 "[ . 1 . 2]" 1
381 1 26 ASP QB 1 28 TRP HE1 4.680 . 4.680 3.292 2.834 3.685 . 0 0 "[ . 1 . 2]" 1
382 1 26 ASP QB 1 28 TRP HZ2 4.730 . 4.730 3.584 3.171 3.891 . 0 0 "[ . 1 . 2]" 1
383 1 27 ARG H 1 27 ARG QG 3.480 . 3.480 2.863 2.737 3.037 . 0 0 "[ . 1 . 2]" 1
384 1 27 ARG HA 1 27 ARG QG 3.690 . 3.690 2.398 2.275 2.503 . 0 0 "[ . 1 . 2]" 1
385 1 27 ARG QB 1 27 ARG HE 4.320 . 4.320 2.759 1.914 3.936 . 0 0 "[ . 1 . 2]" 1
386 1 27 ARG QB 1 28 TRP H 3.790 . 3.790 3.638 3.498 3.788 . 0 0 "[ . 1 . 2]" 1
387 1 28 TRP H 1 28 TRP QB 3.350 . 3.350 3.171 3.065 3.300 . 0 0 "[ . 1 . 2]" 1
388 1 28 TRP H 1 30 LYS QG 4.590 . 4.590 4.503 4.178 4.676 0.086 20 0 "[ . 1 . 2]" 1
389 1 28 TRP HA 1 29 CYS QB 4.320 . 4.320 4.219 4.013 4.422 0.102 8 0 "[ . 1 . 2]" 1
390 1 28 TRP QB 1 29 CYS H 2.930 . 2.930 2.311 1.972 2.508 . 0 0 "[ . 1 . 2]" 1
391 1 28 TRP HD1 1 30 LYS QB 5.340 . 5.340 4.207 4.007 4.548 . 0 0 "[ . 1 . 2]" 1
392 1 28 TRP HD1 1 30 LYS QG 4.590 . 4.590 2.181 1.947 2.446 . 0 0 "[ . 1 . 2]" 1
393 1 28 TRP HD1 1 30 LYS QD 5.340 . 5.340 3.650 3.059 4.420 . 0 0 "[ . 1 . 2]" 1
394 1 29 CYS H 1 29 CYS QB 2.740 . 2.740 2.237 2.124 2.636 . 0 0 "[ . 1 . 2]" 1
395 1 29 CYS QB 1 30 LYS H 3.530 . 3.530 3.325 2.763 3.636 0.106 10 0 "[ . 1 . 2]" 1
396 1 30 LYS H 1 30 LYS QG 4.270 . 4.270 3.246 2.851 3.621 . 0 0 "[ . 1 . 2]" 1
397 1 30 LYS H 1 30 LYS QD 5.340 . 5.340 4.568 4.115 4.818 . 0 0 "[ . 1 . 2]" 1
398 1 30 LYS QB 1 30 LYS QD 2.630 . 2.630 2.267 2.039 2.405 . 0 0 "[ . 1 . 2]" 1
399 1 30 LYS QG 1 31 TYR H 5.110 . 5.110 3.714 3.398 4.142 . 0 0 "[ . 1 . 2]" 1
400 1 31 TYR QB 1 32 ASP H 4.090 . 4.090 3.834 3.690 3.893 . 0 0 "[ . 1 . 2]" 1
401 1 33 LEU H 1 33 LEU QB 2.970 . 2.970 2.612 2.329 3.000 0.030 2 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 12
_Distance_constraint_stats_list.Viol_count 47
_Distance_constraint_stats_list.Viol_total 41.612
_Distance_constraint_stats_list.Viol_max 0.126
_Distance_constraint_stats_list.Viol_rms 0.0225
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0087
_Distance_constraint_stats_list.Viol_average_violations_only 0.0443
_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 6 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 LYS 0.285 0.068 15 0 "[ . 1 . 2]"
1 18 LYS 1.319 0.126 8 0 "[ . 1 . 2]"
1 20 TYR 1.319 0.126 8 0 "[ . 1 . 2]"
1 21 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 SER 0.477 0.063 18 0 "[ . 1 . 2]"
1 28 TRP 0.477 0.063 18 0 "[ . 1 . 2]"
1 29 CYS 0.285 0.068 15 0 "[ . 1 . 2]"
1 30 LYS 0.000 0.000 . 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 21 THR H 1 30 LYS O 2.000 . 2.000 1.804 1.722 1.913 . 0 0 "[ . 1 . 2]" 2
2 1 21 THR N 1 30 LYS O 3.000 . 3.000 2.758 2.694 2.864 . 0 0 "[ . 1 . 2]" 2
3 1 21 THR O 1 30 LYS H 2.000 . 2.000 1.874 1.757 1.982 . 0 0 "[ . 1 . 2]" 2
4 1 21 THR O 1 30 LYS N 3.000 . 3.000 2.832 2.735 2.961 . 0 0 "[ . 1 . 2]" 2
5 1 23 SER H 1 28 TRP O 2.000 . 2.000 1.984 1.797 2.063 0.063 18 0 "[ . 1 . 2]" 2
6 1 23 SER N 1 28 TRP O 3.000 . 3.000 2.884 2.762 2.951 . 0 0 "[ . 1 . 2]" 2
7 1 6 PHE H 1 29 CYS O 2.000 . 2.000 1.714 1.646 1.839 . 0 0 "[ . 1 . 2]" 2
8 1 6 PHE N 1 29 CYS O 3.000 . 3.000 2.675 2.605 2.772 . 0 0 "[ . 1 . 2]" 2
9 1 18 LYS O 1 20 TYR H 2.000 . 2.000 2.065 2.015 2.126 0.126 8 0 "[ . 1 . 2]" 2
10 1 18 LYS O 1 20 TYR N 3.000 . 3.000 2.926 2.891 3.012 0.012 8 0 "[ . 1 . 2]" 2
11 1 7 LYS O 1 29 CYS H 2.000 . 2.000 1.978 1.780 2.068 0.068 15 0 "[ . 1 . 2]" 2
12 1 7 LYS O 1 29 CYS N 3.000 . 3.000 2.927 2.760 2.986 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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