NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
612617 |
5i1x   |
30009 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5i1x
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 423
_Distance_constraint_stats_list.Viol_count 254
_Distance_constraint_stats_list.Viol_total 17.630
_Distance_constraint_stats_list.Viol_max 0.032
_Distance_constraint_stats_list.Viol_rms 0.0010
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0035
_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 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 ASP 0.120 0.018 17 0 "[ . 1 . 2]"
1 4 CYS 0.120 0.018 17 0 "[ . 1 . 2]"
1 5 LEU 0.029 0.002 20 0 "[ . 1 . 2]"
1 6 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 TRP 0.055 0.008 12 0 "[ . 1 . 2]"
1 8 ALA 0.089 0.008 12 0 "[ . 1 . 2]"
1 9 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ARG 0.020 0.003 14 0 "[ . 1 . 2]"
1 11 CYS 0.001 0.001 12 0 "[ . 1 . 2]"
1 12 SER 0.014 0.002 4 0 "[ . 1 . 2]"
1 13 PRO 0.033 0.003 20 0 "[ . 1 . 2]"
1 14 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ASP 0.010 0.003 20 0 "[ . 1 . 2]"
1 17 LYS 0.011 0.002 20 0 "[ . 1 . 2]"
1 18 CYS 0.007 0.001 10 0 "[ . 1 . 2]"
1 19 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 PRO 0.007 0.003 8 0 "[ . 1 . 2]"
1 21 ASN 0.007 0.003 8 0 "[ . 1 . 2]"
1 22 TYR 0.030 0.006 19 0 "[ . 1 . 2]"
1 23 LYS 0.006 0.002 19 0 "[ . 1 . 2]"
1 24 CYS 0.055 0.004 9 0 "[ . 1 . 2]"
1 25 SER 0.403 0.020 15 0 "[ . 1 . 2]"
1 26 SER 0.023 0.003 6 0 "[ . 1 . 2]"
1 27 LYS 0.003 0.003 2 0 "[ . 1 . 2]"
1 28 ASP 0.336 0.020 15 0 "[ . 1 . 2]"
1 29 LEU 0.063 0.006 15 0 "[ . 1 . 2]"
1 30 TRP 0.055 0.004 17 0 "[ . 1 . 2]"
1 31 CYS 0.070 0.006 19 0 "[ . 1 . 2]"
1 32 LYS 0.006 0.003 15 0 "[ . 1 . 2]"
1 33 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 LYS 0.051 0.009 15 0 "[ . 1 . 2]"
1 35 ILE 0.082 0.032 15 0 "[ . 1 . 2]"
1 36 TRP 0.039 0.032 15 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 1 SER HA 1 1 SER QB . . 2.570 2.314 2.184 2.477 . 0 0 "[ . 1 . 2]" 1
2 1 5 LEU HA 1 5 LEU MD1 . . 4.050 3.885 3.821 3.953 . 0 0 "[ . 1 . 2]" 1
3 1 5 LEU HA 1 5 LEU MD2 . . 3.190 2.322 1.977 2.581 . 0 0 "[ . 1 . 2]" 1
4 1 17 LYS HA 1 17 LYS QD . . 4.560 3.504 3.203 3.693 . 0 0 "[ . 1 . 2]" 1
5 1 23 LYS HA 1 23 LYS HG2 . . 4.160 3.144 2.220 3.805 . 0 0 "[ . 1 . 2]" 1
6 1 23 LYS HA 1 23 LYS HG3 . . 4.160 3.123 2.524 3.616 . 0 0 "[ . 1 . 2]" 1
7 1 23 LYS HA 1 23 LYS QD . . 3.260 2.354 1.997 3.035 . 0 0 "[ . 1 . 2]" 1
8 1 23 LYS QB 1 23 LYS QD . . 2.400 2.286 2.158 2.379 . 0 0 "[ . 1 . 2]" 1
9 1 23 LYS QB 1 23 LYS QE . . 3.870 3.634 2.501 3.833 . 0 0 "[ . 1 . 2]" 1
10 1 27 LYS HA 1 27 LYS HG2 . . 3.940 3.543 3.455 3.635 . 0 0 "[ . 1 . 2]" 1
11 1 27 LYS HA 1 27 LYS HG3 . . 3.940 2.254 2.156 2.449 . 0 0 "[ . 1 . 2]" 1
12 1 27 LYS HA 1 27 LYS QD . . 3.450 2.946 2.450 3.438 . 0 0 "[ . 1 . 2]" 1
13 1 27 LYS HB2 1 27 LYS QD . . 2.430 2.219 2.096 2.387 . 0 0 "[ . 1 . 2]" 1
14 1 27 LYS HB3 1 27 LYS QD . . 3.320 3.285 3.242 3.310 . 0 0 "[ . 1 . 2]" 1
15 1 27 LYS HB2 1 27 LYS QE . . 4.050 3.674 2.853 4.053 0.003 2 0 "[ . 1 . 2]" 1
16 1 29 LEU HA 1 29 LEU HG . . 3.810 3.063 2.997 3.192 . 0 0 "[ . 1 . 2]" 1
17 1 29 LEU HA 1 29 LEU MD2 . . 3.030 2.204 2.082 2.357 . 0 0 "[ . 1 . 2]" 1
18 1 34 LYS HA 1 34 LYS QG . . 3.340 2.219 2.064 2.366 . 0 0 "[ . 1 . 2]" 1
19 1 35 ILE HA 1 35 ILE HG12 . . 4.210 2.979 2.549 3.774 . 0 0 "[ . 1 . 2]" 1
20 1 35 ILE HA 1 35 ILE HG13 . . 4.210 3.238 2.356 3.786 . 0 0 "[ . 1 . 2]" 1
21 1 35 ILE HA 1 35 ILE MG . . 3.260 2.294 2.158 2.384 . 0 0 "[ . 1 . 2]" 1
22 1 35 ILE HB 1 35 ILE MD . . 3.640 2.569 2.085 3.229 . 0 0 "[ . 1 . 2]" 1
23 1 5 LEU HB3 1 18 CYS HA . . 4.250 3.910 3.621 4.170 . 0 0 "[ . 1 . 2]" 1
24 1 8 ALA HA 1 30 TRP HE3 . . 3.500 2.548 2.390 2.683 . 0 0 "[ . 1 . 2]" 1
25 1 8 ALA HA 1 30 TRP HB2 . . 4.420 4.058 3.902 4.224 . 0 0 "[ . 1 . 2]" 1
26 1 5 LEU HB2 1 9 SER QB . . 4.230 3.466 3.066 3.892 . 0 0 "[ . 1 . 2]" 1
27 1 5 LEU MD2 1 9 SER QB . . 3.720 2.500 1.896 3.303 . 0 0 "[ . 1 . 2]" 1
28 1 5 LEU HB3 1 9 SER QB . . 3.600 2.220 1.948 2.545 . 0 0 "[ . 1 . 2]" 1
29 1 9 SER HA 1 10 ARG QB . . 5.090 4.417 4.210 4.664 . 0 0 "[ . 1 . 2]" 1
30 1 5 LEU MD1 1 11 CYS HB3 . . 3.800 2.791 2.203 3.145 . 0 0 "[ . 1 . 2]" 1
31 1 5 LEU MD1 1 11 CYS HB2 . . 3.910 3.567 3.057 3.842 . 0 0 "[ . 1 . 2]" 1
32 1 19 CYS HA 1 20 PRO HD2 . . 3.660 2.511 2.509 2.516 . 0 0 "[ . 1 . 2]" 1
33 1 19 CYS HA 1 20 PRO HD3 . . 3.360 2.348 2.346 2.351 . 0 0 "[ . 1 . 2]" 1
34 1 19 CYS HB3 1 20 PRO HD2 . . 4.140 2.028 2.004 2.061 . 0 0 "[ . 1 . 2]" 1
35 1 12 SER HA 1 13 PRO HG3 . . 4.750 4.538 4.537 4.539 . 0 0 "[ . 1 . 2]" 1
36 1 12 SER HA 1 13 PRO HD3 . . 3.100 2.345 2.344 2.347 . 0 0 "[ . 1 . 2]" 1
37 1 12 SER HA 1 13 PRO HD2 . . 3.100 2.507 2.505 2.508 . 0 0 "[ . 1 . 2]" 1
38 1 13 PRO HD2 1 29 LEU MD2 . . 3.640 3.251 3.051 3.433 . 0 0 "[ . 1 . 2]" 1
39 1 13 PRO HD3 1 29 LEU MD2 . . 3.640 2.721 2.576 2.869 . 0 0 "[ . 1 . 2]" 1
40 1 13 PRO HG2 1 29 LEU MD2 . . 4.970 4.746 4.578 4.892 . 0 0 "[ . 1 . 2]" 1
41 1 16 ASP HA 1 17 LYS H . . 2.780 2.154 2.140 2.158 . 0 0 "[ . 1 . 2]" 1
42 1 5 LEU MD1 1 17 LYS HB2 . . 4.510 3.350 2.118 4.103 . 0 0 "[ . 1 . 2]" 1
43 1 5 LEU MD1 1 17 LYS HB3 . . 4.510 4.151 3.196 4.510 0.000 9 0 "[ . 1 . 2]" 1
44 1 18 CYS HA 1 19 CYS H . . 3.380 2.328 2.325 2.329 . 0 0 "[ . 1 . 2]" 1
45 1 5 LEU HB2 1 18 CYS HA . . 3.090 2.264 2.000 2.453 . 0 0 "[ . 1 . 2]" 1
46 1 20 PRO HA 1 21 ASN H . . 3.400 2.494 2.466 2.525 . 0 0 "[ . 1 . 2]" 1
47 1 22 TYR HA 1 33 TYR HA . . 3.640 3.156 2.954 3.567 . 0 0 "[ . 1 . 2]" 1
48 1 22 TYR HA 1 35 ILE H . . 5.220 4.787 4.334 5.139 . 0 0 "[ . 1 . 2]" 1
49 1 22 TYR HA 1 22 TYR QD . . 3.610 2.066 1.996 2.153 . 0 0 "[ . 1 . 2]" 1
50 1 22 TYR HB2 1 23 LYS H . . 4.440 3.390 3.335 3.535 . 0 0 "[ . 1 . 2]" 1
51 1 22 TYR HB3 1 23 LYS H . . 4.160 2.003 1.952 2.198 . 0 0 "[ . 1 . 2]" 1
52 1 23 LYS QB 1 34 LYS QG . . 4.200 2.467 2.084 2.934 . 0 0 "[ . 1 . 2]" 1
53 1 25 SER HB2 1 32 LYS HD3 . . 4.580 2.674 2.123 3.741 . 0 0 "[ . 1 . 2]" 1
54 1 25 SER HB2 1 32 LYS HG3 . . 4.310 2.113 2.012 2.256 . 0 0 "[ . 1 . 2]" 1
55 1 25 SER HA 1 27 LYS HB2 . . 4.670 4.565 4.543 4.604 . 0 0 "[ . 1 . 2]" 1
56 1 13 PRO HG3 1 26 SER HA . . 4.200 4.199 4.189 4.202 0.002 14 0 "[ . 1 . 2]" 1
57 1 26 SER HA 1 29 LEU MD2 . . 3.540 2.536 2.343 2.745 . 0 0 "[ . 1 . 2]" 1
58 1 27 LYS HA 1 29 LEU H . . 4.260 4.166 4.152 4.182 . 0 0 "[ . 1 . 2]" 1
59 1 12 SER HA 1 29 LEU MD2 . . 4.290 2.501 2.208 2.833 . 0 0 "[ . 1 . 2]" 1
60 1 28 ASP H 1 29 LEU HA . . 4.590 4.439 4.427 4.450 . 0 0 "[ . 1 . 2]" 1
61 1 11 CYS H 1 30 TRP HA . . 3.450 3.027 2.671 3.216 . 0 0 "[ . 1 . 2]" 1
62 1 30 TRP HA 1 30 TRP HE3 . . 4.810 4.648 4.645 4.652 . 0 0 "[ . 1 . 2]" 1
63 1 10 ARG HA 1 30 TRP HA . . 3.170 2.371 2.143 2.550 . 0 0 "[ . 1 . 2]" 1
64 1 25 SER HB3 1 30 TRP HA . . 5.220 4.936 4.908 5.030 . 0 0 "[ . 1 . 2]" 1
65 1 10 ARG QB 1 30 TRP HA . . 4.400 4.194 3.842 4.402 0.002 4 0 "[ . 1 . 2]" 1
66 1 33 TYR HA 1 33 TYR QD . . 4.080 2.965 2.166 3.740 . 0 0 "[ . 1 . 2]" 1
67 1 23 LYS QB 1 34 LYS HA . . 3.810 2.698 2.041 3.139 . 0 0 "[ . 1 . 2]" 1
68 1 36 TRP H 1 36 TRP HB2 . . 3.960 3.001 2.298 3.966 0.006 15 0 "[ . 1 . 2]" 1
69 1 14 LYS HA 1 14 LYS HG2 . . 3.930 3.304 2.432 3.777 . 0 0 "[ . 1 . 2]" 1
70 1 14 LYS HA 1 14 LYS HG3 . . 3.930 3.636 3.067 3.919 . 0 0 "[ . 1 . 2]" 1
71 1 10 ARG HA 1 30 TRP HB3 . . 4.590 3.642 3.519 3.865 . 0 0 "[ . 1 . 2]" 1
72 1 4 CYS QB 1 19 CYS HA . . 3.550 2.619 2.370 2.847 . 0 0 "[ . 1 . 2]" 1
73 1 19 CYS HB3 1 20 PRO HD3 . . 4.670 3.470 3.449 3.497 . 0 0 "[ . 1 . 2]" 1
74 1 19 CYS HB2 1 20 PRO HD2 . . 3.900 3.596 3.588 3.607 . 0 0 "[ . 1 . 2]" 1
75 1 19 CYS HB2 1 20 PRO HD3 . . 4.820 4.683 4.678 4.689 . 0 0 "[ . 1 . 2]" 1
76 1 4 CYS QB 1 19 CYS H . . 4.840 2.663 2.434 2.952 . 0 0 "[ . 1 . 2]" 1
77 1 18 CYS QB 1 22 TYR HB2 . . 3.900 3.546 3.411 3.599 . 0 0 "[ . 1 . 2]" 1
78 1 22 TYR HB2 1 31 CYS HB3 . . 4.290 3.948 3.660 4.110 . 0 0 "[ . 1 . 2]" 1
79 1 22 TYR HB3 1 31 CYS HB3 . . 3.120 2.960 2.752 3.041 . 0 0 "[ . 1 . 2]" 1
80 1 18 CYS QB 1 19 CYS HA . . 4.730 4.533 4.515 4.682 . 0 0 "[ . 1 . 2]" 1
81 1 22 TYR HA 1 31 CYS HB3 . . 5.500 5.442 5.248 5.506 0.006 19 0 "[ . 1 . 2]" 1
82 1 5 LEU HB2 1 18 CYS QB . . 4.610 3.493 3.003 3.754 . 0 0 "[ . 1 . 2]" 1
83 1 24 CYS HA 1 30 TRP HA . . 5.330 5.209 5.028 5.298 . 0 0 "[ . 1 . 2]" 1
84 1 10 ARG HA 1 30 TRP HB2 . . 5.000 3.702 3.514 3.985 . 0 0 "[ . 1 . 2]" 1
85 1 8 ALA MB 1 30 TRP HB2 . . 5.500 5.247 5.046 5.392 . 0 0 "[ . 1 . 2]" 1
86 1 30 TRP HB3 1 31 CYS H . . 4.730 4.071 4.035 4.090 . 0 0 "[ . 1 . 2]" 1
87 1 25 SER HB2 1 32 LYS HD2 . . 4.580 2.538 2.003 2.864 . 0 0 "[ . 1 . 2]" 1
88 1 25 SER HB2 1 30 TRP H . . 4.910 4.438 4.416 4.495 . 0 0 "[ . 1 . 2]" 1
89 1 24 CYS HA 1 25 SER HB3 . . 4.560 4.535 4.507 4.562 0.002 6 0 "[ . 1 . 2]" 1
90 1 25 SER HB3 1 32 LYS HG3 . . 4.670 2.516 2.403 2.644 . 0 0 "[ . 1 . 2]" 1
91 1 25 SER HB3 1 27 LYS HB2 . . 5.500 4.282 4.183 4.338 . 0 0 "[ . 1 . 2]" 1
92 1 25 SER HB3 1 28 ASP HB2 . . 5.500 4.045 3.965 4.078 . 0 0 "[ . 1 . 2]" 1
93 1 25 SER HB2 1 28 ASP HB2 . . 5.280 5.264 5.192 5.283 0.003 15 0 "[ . 1 . 2]" 1
94 1 26 SER HB2 1 27 LYS HA . . 4.560 4.174 4.088 4.255 . 0 0 "[ . 1 . 2]" 1
95 1 26 SER HB3 1 27 LYS HA . . 5.240 4.961 4.799 5.095 . 0 0 "[ . 1 . 2]" 1
96 1 26 SER HB3 1 27 LYS H . . 4.730 4.272 4.171 4.336 . 0 0 "[ . 1 . 2]" 1
97 1 26 SER HB2 1 27 LYS HB2 . . 5.350 5.196 5.119 5.284 . 0 0 "[ . 1 . 2]" 1
98 1 13 PRO HG2 1 26 SER HB3 . . 4.870 4.727 4.523 4.871 0.001 7 0 "[ . 1 . 2]" 1
99 1 13 PRO HB3 1 26 SER HB3 . . 4.970 3.620 3.351 3.784 . 0 0 "[ . 1 . 2]" 1
100 1 13 PRO HG3 1 26 SER HB3 . . 4.980 2.961 2.769 3.100 . 0 0 "[ . 1 . 2]" 1
101 1 13 PRO HG3 1 26 SER HB2 . . 4.970 4.534 4.401 4.724 . 0 0 "[ . 1 . 2]" 1
102 1 13 PRO HB3 1 26 SER HB2 . . 5.080 4.614 4.386 4.845 . 0 0 "[ . 1 . 2]" 1
103 1 7 TRP HA 1 22 TYR QE . . 4.590 4.207 3.878 4.410 . 0 0 "[ . 1 . 2]" 1
104 1 7 TRP HA 1 7 TRP HD1 . . 4.450 4.319 4.107 4.443 . 0 0 "[ . 1 . 2]" 1
105 1 7 TRP HA 1 7 TRP HE3 . . 4.780 4.406 4.239 4.683 . 0 0 "[ . 1 . 2]" 1
106 1 4 CYS QB 1 20 PRO HD3 . . 4.430 4.187 3.924 4.427 . 0 0 "[ . 1 . 2]" 1
107 1 4 CYS QB 1 20 PRO HD2 . . 4.720 4.459 4.264 4.652 . 0 0 "[ . 1 . 2]" 1
108 1 24 CYS HA 1 32 LYS H . . 4.020 2.819 2.681 3.010 . 0 0 "[ . 1 . 2]" 1
109 1 13 PRO HB3 1 26 SER HA . . 4.340 4.308 4.206 4.343 0.003 6 0 "[ . 1 . 2]" 1
110 1 26 SER HA 1 26 SER HB3 . . 2.850 2.360 2.311 2.417 . 0 0 "[ . 1 . 2]" 1
111 1 26 SER HA 1 29 LEU H . . 4.940 3.257 3.236 3.278 . 0 0 "[ . 1 . 2]" 1
112 1 5 LEU MD1 1 17 LYS QE . . 5.080 4.002 2.247 5.081 0.001 4 0 "[ . 1 . 2]" 1
113 1 5 LEU MD1 1 9 SER QB . . 4.430 2.974 2.663 3.712 . 0 0 "[ . 1 . 2]" 1
114 1 5 LEU MD1 1 11 CYS HA . . 4.620 3.766 3.305 4.056 . 0 0 "[ . 1 . 2]" 1
115 1 5 LEU MD2 1 18 CYS HA . . 4.970 4.865 4.585 4.971 0.001 10 0 "[ . 1 . 2]" 1
116 1 13 PRO HG3 1 29 LEU MD2 . . 4.630 4.030 3.913 4.151 . 0 0 "[ . 1 . 2]" 1
117 1 5 LEU HG 1 9 SER QB . . 5.000 4.520 4.149 4.730 . 0 0 "[ . 1 . 2]" 1
118 1 24 CYS H 1 31 CYS HB3 . . 5.080 5.082 5.080 5.084 0.004 9 0 "[ . 1 . 2]" 1
119 1 3 ASP H 1 3 ASP HB2 . . 3.960 2.612 2.275 3.649 . 0 0 "[ . 1 . 2]" 1
120 1 3 ASP H 1 3 ASP HB3 . . 3.960 3.481 2.966 3.717 . 0 0 "[ . 1 . 2]" 1
121 1 4 CYS H 1 4 CYS QB . . 3.230 2.867 2.373 3.225 . 0 0 "[ . 1 . 2]" 1
122 1 5 LEU H 1 5 LEU HB2 . . 3.230 2.357 2.206 2.531 . 0 0 "[ . 1 . 2]" 1
123 1 5 LEU H 1 5 LEU HB3 . . 3.910 3.579 3.509 3.637 . 0 0 "[ . 1 . 2]" 1
124 1 5 LEU H 1 5 LEU HG . . 3.000 2.673 2.290 3.000 . 20 0 "[ . 1 . 2]" 1
125 1 5 LEU H 1 5 LEU MD1 . . 4.130 3.460 3.258 3.705 . 0 0 "[ . 1 . 2]" 1
126 1 5 LEU H 1 5 LEU MD2 . . 4.030 3.878 3.632 4.030 0.000 7 0 "[ . 1 . 2]" 1
127 1 7 TRP H 1 7 TRP QB . . 2.710 2.507 2.368 2.622 . 0 0 "[ . 1 . 2]" 1
128 1 8 ALA H 1 8 ALA MB . . 3.640 2.299 2.224 2.353 . 0 0 "[ . 1 . 2]" 1
129 1 9 SER H 1 9 SER QB . . 2.760 2.473 2.373 2.648 . 0 0 "[ . 1 . 2]" 1
130 1 10 ARG H 1 10 ARG HD2 . . 5.090 4.388 3.840 5.065 . 0 0 "[ . 1 . 2]" 1
131 1 10 ARG H 1 10 ARG HD3 . . 5.090 4.359 3.331 5.067 . 0 0 "[ . 1 . 2]" 1
132 1 10 ARG H 1 10 ARG QB . . 2.700 2.567 2.360 2.700 . 16 0 "[ . 1 . 2]" 1
133 1 11 CYS H 1 11 CYS HB3 . . 3.730 3.385 3.189 3.457 . 0 0 "[ . 1 . 2]" 1
134 1 12 SER H 1 12 SER HB2 . . 3.660 2.655 2.280 3.649 . 0 0 "[ . 1 . 2]" 1
135 1 12 SER H 1 12 SER HB3 . . 3.660 3.541 2.543 3.661 0.001 11 0 "[ . 1 . 2]" 1
136 1 14 LYS H 1 14 LYS QE . . 5.500 3.907 2.520 4.795 . 0 0 "[ . 1 . 2]" 1
137 1 15 ASN H 1 15 ASN HB2 . . 3.840 2.882 2.480 3.823 . 0 0 "[ . 1 . 2]" 1
138 1 15 ASN H 1 15 ASN HB3 . . 3.840 3.539 2.897 3.823 . 0 0 "[ . 1 . 2]" 1
139 1 16 ASP H 1 16 ASP HB2 . . 3.060 2.982 2.849 3.058 . 0 0 "[ . 1 . 2]" 1
140 1 16 ASP H 1 16 ASP HB3 . . 3.060 2.330 2.290 2.373 . 0 0 "[ . 1 . 2]" 1
141 1 17 LYS H 1 17 LYS HB2 . . 3.870 3.112 2.474 3.751 . 0 0 "[ . 1 . 2]" 1
142 1 17 LYS H 1 17 LYS HB3 . . 3.870 3.494 3.109 3.802 . 0 0 "[ . 1 . 2]" 1
143 1 17 LYS H 1 17 LYS HG2 . . 4.600 3.491 2.218 4.597 . 0 0 "[ . 1 . 2]" 1
144 1 17 LYS H 1 17 LYS HG3 . . 4.600 3.691 3.225 3.954 . 0 0 "[ . 1 . 2]" 1
145 1 17 LYS H 1 17 LYS QD . . 3.630 2.287 1.949 2.786 . 0 0 "[ . 1 . 2]" 1
146 1 18 CYS H 1 18 CYS QB . . 3.000 2.429 2.305 2.623 . 0 0 "[ . 1 . 2]" 1
147 1 21 ASN H 1 21 ASN HA . . 2.940 2.274 2.273 2.275 . 0 0 "[ . 1 . 2]" 1
148 1 21 ASN H 1 21 ASN QB . . 3.480 3.310 2.958 3.442 . 0 0 "[ . 1 . 2]" 1
149 1 22 TYR H 1 22 TYR HB2 . . 3.850 2.638 2.584 2.739 . 0 0 "[ . 1 . 2]" 1
150 1 22 TYR H 1 22 TYR HB3 . . 4.090 3.761 3.722 3.825 . 0 0 "[ . 1 . 2]" 1
151 1 23 LYS H 1 23 LYS HG2 . . 5.250 4.926 4.554 5.145 . 0 0 "[ . 1 . 2]" 1
152 1 23 LYS H 1 23 LYS HG3 . . 5.250 4.813 4.396 5.140 . 0 0 "[ . 1 . 2]" 1
153 1 23 LYS H 1 23 LYS QB . . 3.180 2.758 2.674 2.796 . 0 0 "[ . 1 . 2]" 1
154 1 23 LYS H 1 23 LYS QD . . 4.480 4.412 4.311 4.481 0.001 18 0 "[ . 1 . 2]" 1
155 1 23 LYS H 1 31 CYS HB3 . . 4.030 3.987 3.900 4.024 . 0 0 "[ . 1 . 2]" 1
156 1 24 CYS H 1 24 CYS HB2 . . 3.370 2.279 2.209 2.381 . 0 0 "[ . 1 . 2]" 1
157 1 24 CYS H 1 24 CYS HB3 . . 3.370 2.807 2.681 2.900 . 0 0 "[ . 1 . 2]" 1
158 1 25 SER H 1 25 SER HB3 . . 2.960 2.452 2.422 2.494 . 0 0 "[ . 1 . 2]" 1
159 1 25 SER H 1 25 SER HB2 . . 3.170 2.886 2.694 3.008 . 0 0 "[ . 1 . 2]" 1
160 1 26 SER H 1 26 SER HB3 . . 3.750 3.580 3.548 3.601 . 0 0 "[ . 1 . 2]" 1
161 1 26 SER H 1 26 SER HB2 . . 3.710 2.740 2.603 2.869 . 0 0 "[ . 1 . 2]" 1
162 1 27 LYS H 1 27 LYS HB2 . . 3.270 2.195 2.155 2.234 . 0 0 "[ . 1 . 2]" 1
163 1 27 LYS H 1 27 LYS HB3 . . 3.560 3.499 3.470 3.525 . 0 0 "[ . 1 . 2]" 1
164 1 27 LYS H 1 27 LYS QD . . 3.670 2.282 2.009 2.507 . 0 0 "[ . 1 . 2]" 1
165 1 28 ASP H 1 28 ASP HB2 . . 3.340 2.296 2.285 2.308 . 0 0 "[ . 1 . 2]" 1
166 1 28 ASP H 1 28 ASP HB3 . . 3.500 3.396 3.346 3.447 . 0 0 "[ . 1 . 2]" 1
167 1 29 LEU H 1 29 LEU HA . . 2.760 2.279 2.277 2.280 . 0 0 "[ . 1 . 2]" 1
168 1 29 LEU H 1 29 LEU HG . . 3.660 2.777 2.681 2.869 . 0 0 "[ . 1 . 2]" 1
169 1 29 LEU H 1 29 LEU MD2 . . 3.270 3.118 2.778 3.267 . 0 0 "[ . 1 . 2]" 1
170 1 31 CYS H 1 31 CYS HB2 . . 4.140 2.651 2.645 2.655 . 0 0 "[ . 1 . 2]" 1
171 1 32 LYS H 1 32 LYS HB2 . . 4.120 2.202 2.185 2.227 . 0 0 "[ . 1 . 2]" 1
172 1 32 LYS H 1 32 LYS HB3 . . 4.120 3.461 3.434 3.505 . 0 0 "[ . 1 . 2]" 1
173 1 32 LYS H 1 32 LYS HG3 . . 4.650 3.319 3.159 3.479 . 0 0 "[ . 1 . 2]" 1
174 1 32 LYS H 1 32 LYS HG2 . . 4.710 4.147 4.093 4.200 . 0 0 "[ . 1 . 2]" 1
175 1 33 TYR H 1 33 TYR HB2 . . 3.810 2.761 2.140 3.623 . 0 0 "[ . 1 . 2]" 1
176 1 33 TYR H 1 33 TYR HB3 . . 3.810 3.139 2.589 3.638 . 0 0 "[ . 1 . 2]" 1
177 1 34 LYS H 1 34 LYS HB2 . . 3.350 2.246 2.084 2.394 . 0 0 "[ . 1 . 2]" 1
178 1 34 LYS H 1 34 LYS HB3 . . 3.350 2.986 2.856 3.299 . 0 0 "[ . 1 . 2]" 1
179 1 34 LYS H 1 34 LYS QG . . 3.940 3.770 3.393 3.940 0.000 9 0 "[ . 1 . 2]" 1
180 1 35 ILE H 1 35 ILE HB . . 3.620 2.706 2.533 3.621 0.001 2 0 "[ . 1 . 2]" 1
181 1 34 LYS HB3 1 35 ILE H . . 4.130 3.114 3.018 3.363 . 0 0 "[ . 1 . 2]" 1
182 1 35 ILE H 1 35 ILE HG12 . . 4.110 3.073 1.964 4.020 . 0 0 "[ . 1 . 2]" 1
183 1 35 ILE H 1 35 ILE HG13 . . 4.110 2.858 1.951 4.072 . 0 0 "[ . 1 . 2]" 1
184 1 36 TRP H 1 36 TRP HB3 . . 3.960 3.124 2.483 3.668 . 0 0 "[ . 1 . 2]" 1
185 1 33 TYR H 1 33 TYR QD . . 4.680 2.924 2.077 4.094 . 0 0 "[ . 1 . 2]" 1
186 1 2 GLU HB2 1 3 ASP H . . 4.730 4.229 2.483 4.587 . 0 0 "[ . 1 . 2]" 1
187 1 2 GLU HB3 1 3 ASP H . . 4.730 3.762 2.361 4.639 . 0 0 "[ . 1 . 2]" 1
188 1 2 GLU HA 1 3 ASP H . . 2.940 2.311 2.137 2.920 . 0 0 "[ . 1 . 2]" 1
189 1 3 ASP HA 1 4 CYS H . . 3.020 2.205 2.166 2.245 . 0 0 "[ . 1 . 2]" 1
190 1 3 ASP H 1 4 CYS H . . 4.150 4.137 4.056 4.163 0.013 14 0 "[ . 1 . 2]" 1
191 1 5 LEU H 1 19 CYS H . . 4.090 3.318 2.992 3.778 . 0 0 "[ . 1 . 2]" 1
192 1 7 TRP H 1 8 ALA H . . 4.450 2.503 2.381 2.775 . 0 0 "[ . 1 . 2]" 1
193 1 8 ALA H 1 9 SER H . . 3.380 2.892 2.757 3.088 . 0 0 "[ . 1 . 2]" 1
194 1 9 SER H 1 10 ARG H . . 4.780 4.517 4.485 4.555 . 0 0 "[ . 1 . 2]" 1
195 1 11 CYS H 1 12 SER H . . 4.810 4.349 4.258 4.391 . 0 0 "[ . 1 . 2]" 1
196 1 8 ALA H 1 30 TRP HZ3 . . 5.500 5.502 5.500 5.504 0.004 17 0 "[ . 1 . 2]" 1
197 1 7 TRP H 1 22 TYR QE . . 4.360 4.326 4.105 4.361 0.001 18 0 "[ . 1 . 2]" 1
198 1 12 SER HA 1 14 LYS H . . 4.520 4.108 4.032 4.160 . 0 0 "[ . 1 . 2]" 1
199 1 11 CYS HA 1 12 SER H . . 3.520 2.458 2.283 2.578 . 0 0 "[ . 1 . 2]" 1
200 1 10 ARG HA 1 11 CYS H . . 3.120 2.300 2.159 2.384 . 0 0 "[ . 1 . 2]" 1
201 1 4 CYS HA 1 5 LEU H . . 3.150 2.404 2.286 2.602 . 0 0 "[ . 1 . 2]" 1
202 1 5 LEU HA 1 6 GLY H . . 2.700 2.541 2.270 2.595 . 0 0 "[ . 1 . 2]" 1
203 1 9 SER HA 1 10 ARG H . . 2.650 2.425 2.234 2.463 . 0 0 "[ . 1 . 2]" 1
204 1 9 SER QB 1 10 ARG H . . 3.270 2.526 2.277 3.121 . 0 0 "[ . 1 . 2]" 1
205 1 12 SER H 1 16 ASP HA . . 4.530 3.257 2.945 3.923 . 0 0 "[ . 1 . 2]" 1
206 1 6 GLY HA3 1 7 TRP H . . 3.190 2.563 2.447 2.773 . 0 0 "[ . 1 . 2]" 1
207 1 6 GLY HA2 1 7 TRP H . . 3.190 2.566 2.371 2.684 . 0 0 "[ . 1 . 2]" 1
208 1 8 ALA H 1 9 SER QB . . 4.760 4.390 3.946 4.730 . 0 0 "[ . 1 . 2]" 1
209 1 11 CYS H 1 29 LEU HA . . 4.790 3.951 3.845 4.116 . 0 0 "[ . 1 . 2]" 1
210 1 11 CYS HB2 1 12 SER H . . 3.130 2.398 2.182 2.768 . 0 0 "[ . 1 . 2]" 1
211 1 11 CYS HB3 1 12 SER H . . 4.170 3.810 3.676 4.012 . 0 0 "[ . 1 . 2]" 1
212 1 7 TRP QB 1 8 ALA H . . 4.140 3.502 3.472 3.538 . 0 0 "[ . 1 . 2]" 1
213 1 5 LEU H 1 18 CYS QB . . 4.950 4.354 3.951 4.818 . 0 0 "[ . 1 . 2]" 1
214 1 4 CYS QB 1 5 LEU H . . 3.010 2.424 2.006 2.680 . 0 0 "[ . 1 . 2]" 1
215 1 7 TRP HA 1 8 ALA H . . 3.500 3.500 3.486 3.508 0.008 12 0 "[ . 1 . 2]" 1
216 1 7 TRP HA 1 9 SER H . . 4.550 3.664 3.587 4.018 . 0 0 "[ . 1 . 2]" 1
217 1 3 ASP HB2 1 4 CYS H . . 4.590 4.424 3.866 4.608 0.018 17 0 "[ . 1 . 2]" 1
218 1 3 ASP HB3 1 4 CYS H . . 4.590 4.019 3.816 4.413 . 0 0 "[ . 1 . 2]" 1
219 1 10 ARG QB 1 11 CYS H . . 3.310 2.684 2.463 3.131 . 0 0 "[ . 1 . 2]" 1
220 1 5 LEU HB2 1 6 GLY H . . 4.360 3.459 3.272 3.919 . 0 0 "[ . 1 . 2]" 1
221 1 5 LEU HB3 1 6 GLY H . . 3.900 2.146 2.020 2.772 . 0 0 "[ . 1 . 2]" 1
222 1 5 LEU MD2 1 6 GLY H . . 3.800 3.015 2.367 3.466 . 0 0 "[ . 1 . 2]" 1
223 1 8 ALA MB 1 9 SER H . . 3.890 3.631 3.582 3.709 . 0 0 "[ . 1 . 2]" 1
224 1 11 CYS H 1 29 LEU MD1 . . 5.470 4.821 4.610 5.183 . 0 0 "[ . 1 . 2]" 1
225 1 11 CYS H 1 29 LEU MD2 . . 5.500 4.375 4.133 4.675 . 0 0 "[ . 1 . 2]" 1
226 1 5 LEU MD1 1 12 SER H . . 5.230 5.058 4.622 5.232 0.002 4 0 "[ . 1 . 2]" 1
227 1 24 CYS H 1 25 SER H . . 4.850 4.503 4.302 4.583 . 0 0 "[ . 1 . 2]" 1
228 1 15 ASN H 1 16 ASP H . . 3.500 3.398 3.260 3.497 . 0 0 "[ . 1 . 2]" 1
229 1 17 LYS H 1 18 CYS H . . 3.300 3.175 3.026 3.276 . 0 0 "[ . 1 . 2]" 1
230 1 21 ASN H 1 22 TYR H . . 3.210 2.621 2.608 2.672 . 0 0 "[ . 1 . 2]" 1
231 1 23 LYS H 1 32 LYS H . . 3.520 3.337 3.101 3.478 . 0 0 "[ . 1 . 2]" 1
232 1 25 SER H 1 26 SER H . . 4.650 4.325 4.259 4.406 . 0 0 "[ . 1 . 2]" 1
233 1 26 SER H 1 27 LYS H . . 3.310 2.542 2.532 2.553 . 0 0 "[ . 1 . 2]" 1
234 1 14 LYS H 1 15 ASN H . . 2.810 2.347 2.191 2.451 . 0 0 "[ . 1 . 2]" 1
235 1 27 LYS H 1 28 ASP H . . 3.080 2.822 2.797 2.848 . 0 0 "[ . 1 . 2]" 1
236 1 25 SER H 1 30 TRP H . . 3.620 3.359 3.274 3.572 . 0 0 "[ . 1 . 2]" 1
237 1 22 TYR H 1 22 TYR QD . . 3.920 3.874 3.837 3.922 0.002 18 0 "[ . 1 . 2]" 1
238 1 22 TYR HA 1 23 LYS H . . 2.980 2.606 2.506 2.633 . 0 0 "[ . 1 . 2]" 1
239 1 15 ASN HA 1 16 ASP H . . 2.940 2.412 2.340 2.518 . 0 0 "[ . 1 . 2]" 1
240 1 13 PRO HA 1 16 ASP H . . 4.790 4.787 4.766 4.793 0.003 20 0 "[ . 1 . 2]" 1
241 1 23 LYS H 1 34 LYS HA . . 5.040 4.525 4.042 4.848 . 0 0 "[ . 1 . 2]" 1
242 1 23 LYS HA 1 24 CYS H . . 2.950 2.155 2.141 2.157 . 0 0 "[ . 1 . 2]" 1
243 1 25 SER H 1 31 CYS HA . . 4.210 2.870 2.803 2.958 . 0 0 "[ . 1 . 2]" 1
244 1 25 SER HA 1 26 SER H . . 2.720 2.144 2.141 2.146 . 0 0 "[ . 1 . 2]" 1
245 1 25 SER HA 1 27 LYS H . . 4.320 3.402 3.386 3.440 . 0 0 "[ . 1 . 2]" 1
246 1 24 CYS HA 1 25 SER H . . 2.810 2.151 2.139 2.181 . 0 0 "[ . 1 . 2]" 1
247 1 25 SER HB2 1 27 LYS H . . 4.690 4.404 4.341 4.456 . 0 0 "[ . 1 . 2]" 1
248 1 26 SER HB2 1 27 LYS H . . 4.570 3.249 3.184 3.312 . 0 0 "[ . 1 . 2]" 1
249 1 20 PRO HD3 1 21 ASN H . . 5.500 5.485 5.466 5.503 0.003 8 0 "[ . 1 . 2]" 1
250 1 24 CYS HB2 1 25 SER H . . 4.810 4.409 4.323 4.584 . 0 0 "[ . 1 . 2]" 1
251 1 24 CYS HB3 1 25 SER H . . 4.810 4.075 3.885 4.284 . 0 0 "[ . 1 . 2]" 1
252 1 26 SER H 1 27 LYS HB2 . . 4.910 4.489 4.433 4.541 . 0 0 "[ . 1 . 2]" 1
253 1 21 ASN QB 1 22 TYR H . . 4.200 3.761 3.712 3.798 . 0 0 "[ . 1 . 2]" 1
254 1 23 LYS H 1 31 CYS HB2 . . 5.380 5.357 5.285 5.381 0.001 18 0 "[ . 1 . 2]" 1
255 1 20 PRO HB2 1 21 ASN H . . 4.290 2.389 2.320 2.456 . 0 0 "[ . 1 . 2]" 1
256 1 20 PRO HG2 1 21 ASN H . . 4.320 4.244 4.185 4.300 . 0 0 "[ . 1 . 2]" 1
257 1 20 PRO HB3 1 21 ASN H . . 4.290 3.345 3.314 3.376 . 0 0 "[ . 1 . 2]" 1
258 1 17 LYS HB2 1 18 CYS H . . 4.930 4.381 4.328 4.448 . 0 0 "[ . 1 . 2]" 1
259 1 5 LEU HB2 1 18 CYS H . . 4.840 4.646 4.365 4.841 0.001 13 0 "[ . 1 . 2]" 1
260 1 17 LYS HB3 1 18 CYS H . . 4.930 4.498 4.332 4.653 . 0 0 "[ . 1 . 2]" 1
261 1 14 LYS HB2 1 15 ASN H . . 4.250 3.365 2.672 3.894 . 0 0 "[ . 1 . 2]" 1
262 1 14 LYS HB3 1 15 ASN H . . 4.250 3.888 3.647 4.031 . 0 0 "[ . 1 . 2]" 1
263 1 16 ASP H 1 17 LYS QD . . 4.550 3.895 3.223 4.415 . 0 0 "[ . 1 . 2]" 1
264 1 14 LYS QE 1 15 ASN H . . 5.210 4.482 3.937 5.205 . 0 0 "[ . 1 . 2]" 1
265 1 23 LYS QB 1 24 CYS H . . 4.000 3.881 3.747 3.927 . 0 0 "[ . 1 . 2]" 1
266 1 23 LYS H 1 34 LYS QG . . 4.470 4.329 3.812 4.471 0.001 11 0 "[ . 1 . 2]" 1
267 1 5 LEU MD1 1 18 CYS H . . 4.400 4.152 3.639 4.401 0.001 17 0 "[ . 1 . 2]" 1
268 1 5 LEU MD1 1 17 LYS H . . 4.170 3.106 2.610 3.375 . 0 0 "[ . 1 . 2]" 1
269 1 23 LYS H 1 34 LYS H . . 4.370 4.148 3.742 4.365 . 0 0 "[ . 1 . 2]" 1
270 1 34 LYS H 1 35 ILE H . . 4.130 2.396 2.198 2.647 . 0 0 "[ . 1 . 2]" 1
271 1 9 SER H 1 31 CYS H . . 3.820 3.637 3.322 3.817 . 0 0 "[ . 1 . 2]" 1
272 1 30 TRP HE3 1 31 CYS H . . 4.570 4.089 3.993 4.139 . 0 0 "[ . 1 . 2]" 1
273 1 31 CYS H 1 32 LYS H . . 4.520 4.398 4.375 4.434 . 0 0 "[ . 1 . 2]" 1
274 1 30 TRP H 1 31 CYS H . . 4.610 4.424 4.418 4.434 . 0 0 "[ . 1 . 2]" 1
275 1 28 ASP H 1 29 LEU H . . 2.990 2.365 2.358 2.372 . 0 0 "[ . 1 . 2]" 1
276 1 27 LYS H 1 29 LEU H . . 4.520 3.485 3.465 3.504 . 0 0 "[ . 1 . 2]" 1
277 1 28 ASP H 1 30 TRP H . . 4.440 3.479 3.434 3.509 . 0 0 "[ . 1 . 2]" 1
278 1 33 TYR QD 1 34 LYS H . . 4.520 3.774 2.107 4.431 . 0 0 "[ . 1 . 2]" 1
279 1 29 LEU H 1 30 TRP H . . 3.430 2.817 2.812 2.823 . 0 0 "[ . 1 . 2]" 1
280 1 22 TYR QD 1 32 LYS H . . 5.500 5.413 5.235 5.503 0.003 15 0 "[ . 1 . 2]" 1
281 1 30 TRP HA 1 31 CYS H . . 2.880 2.281 2.267 2.307 . 0 0 "[ . 1 . 2]" 1
282 1 22 TYR HA 1 34 LYS H . . 3.330 2.479 2.110 2.732 . 0 0 "[ . 1 . 2]" 1
283 1 33 TYR HA 1 34 LYS H . . 2.910 2.199 2.142 2.258 . 0 0 "[ . 1 . 2]" 1
284 1 35 ILE HA 1 36 TRP H . . 2.860 2.220 2.163 2.416 . 0 0 "[ . 1 . 2]" 1
285 1 34 LYS HA 1 35 ILE H . . 3.460 3.462 3.461 3.469 0.009 15 0 "[ . 1 . 2]" 1
286 1 33 TYR HB2 1 34 LYS H . . 4.370 3.823 2.848 4.367 . 0 0 "[ . 1 . 2]" 1
287 1 33 TYR HB3 1 34 LYS H . . 4.370 3.564 2.852 4.209 . 0 0 "[ . 1 . 2]" 1
288 1 31 CYS HA 1 32 LYS H . . 2.970 2.146 2.141 2.151 . 0 0 "[ . 1 . 2]" 1
289 1 24 CYS HA 1 31 CYS H . . 4.600 4.433 4.322 4.497 . 0 0 "[ . 1 . 2]" 1
290 1 29 LEU HA 1 30 TRP H . . 3.400 2.792 2.780 2.804 . 0 0 "[ . 1 . 2]" 1
291 1 25 SER HB3 1 30 TRP H . . 3.410 2.709 2.685 2.776 . 0 0 "[ . 1 . 2]" 1
292 1 25 SER HB2 1 28 ASP H . . 4.540 4.556 4.550 4.560 0.020 15 0 "[ . 1 . 2]" 1
293 1 25 SER HB3 1 28 ASP H . . 3.640 3.402 3.366 3.415 . 0 0 "[ . 1 . 2]" 1
294 1 25 SER HB3 1 29 LEU H . . 4.190 4.193 4.190 4.196 0.006 15 0 "[ . 1 . 2]" 1
295 1 34 LYS HB2 1 35 ILE H . . 4.130 3.658 3.340 3.772 . 0 0 "[ . 1 . 2]" 1
296 1 28 ASP HB3 1 30 TRP H . . 4.150 3.722 3.642 3.785 . 0 0 "[ . 1 . 2]" 1
297 1 28 ASP HB2 1 30 TRP H . . 4.470 3.975 3.884 4.039 . 0 0 "[ . 1 . 2]" 1
298 1 27 LYS HB2 1 29 LEU H . . 4.860 4.403 4.374 4.436 . 0 0 "[ . 1 . 2]" 1
299 1 28 ASP HB2 1 29 LEU H . . 5.040 3.958 3.932 3.978 . 0 0 "[ . 1 . 2]" 1
300 1 27 LYS HB3 1 28 ASP H . . 3.270 2.882 2.804 2.954 . 0 0 "[ . 1 . 2]" 1
301 1 28 ASP HB3 1 29 LEU H . . 4.290 4.063 4.020 4.109 . 0 0 "[ . 1 . 2]" 1
302 1 29 LEU MD2 1 30 TRP H . . 4.760 4.573 4.447 4.684 . 0 0 "[ . 1 . 2]" 1
303 1 35 ILE MG 1 36 TRP H . . 3.790 2.412 2.039 3.598 . 0 0 "[ . 1 . 2]" 1
304 1 35 ILE HB 1 36 TRP H . . 4.090 3.809 2.341 4.080 . 0 0 "[ . 1 . 2]" 1
305 1 5 LEU H 1 18 CYS HA . . 3.670 2.311 1.983 2.739 . 0 0 "[ . 1 . 2]" 1
306 1 6 GLY H 1 7 TRP H . . 4.620 4.480 4.401 4.600 . 0 0 "[ . 1 . 2]" 1
307 1 5 LEU H 1 6 GLY H . . 4.620 4.552 4.508 4.591 . 0 0 "[ . 1 . 2]" 1
308 1 6 GLY H 1 9 SER QB . . 4.000 2.483 2.103 2.943 . 0 0 "[ . 1 . 2]" 1
309 1 28 ASP HB2 1 30 TRP HE1 . . 3.930 2.729 2.696 2.776 . 0 0 "[ . 1 . 2]" 1
310 1 30 TRP HE1 1 32 LYS HG2 . . 4.550 3.291 3.099 3.491 . 0 0 "[ . 1 . 2]" 1
311 1 16 ASP H 1 17 LYS H . . 4.390 4.299 4.263 4.357 . 0 0 "[ . 1 . 2]" 1
312 1 25 SER H 1 32 LYS H . . 4.140 2.837 2.518 3.124 . 0 0 "[ . 1 . 2]" 1
313 1 11 CYS HB2 1 18 CYS H . . 5.420 5.152 4.793 5.389 . 0 0 "[ . 1 . 2]" 1
314 1 25 SER H 1 32 LYS HG3 . . 4.590 3.878 3.541 4.095 . 0 0 "[ . 1 . 2]" 1
315 1 28 ASP H 1 29 LEU MD2 . . 5.180 5.067 4.758 5.179 . 0 0 "[ . 1 . 2]" 1
316 1 27 LYS HB2 1 28 ASP H . . 3.550 2.482 2.424 2.549 . 0 0 "[ . 1 . 2]" 1
317 1 28 ASP H 1 32 LYS HG3 . . 5.500 5.251 5.143 5.382 . 0 0 "[ . 1 . 2]" 1
318 1 14 LYS HG2 1 15 ASN H . . 5.040 3.305 2.059 5.017 . 0 0 "[ . 1 . 2]" 1
319 1 14 LYS HG3 1 15 ASN H . . 5.040 3.314 2.281 4.975 . 0 0 "[ . 1 . 2]" 1
320 1 14 LYS H 1 14 LYS HG2 . . 3.970 2.443 1.951 3.596 . 0 0 "[ . 1 . 2]" 1
321 1 14 LYS H 1 14 LYS HG3 . . 3.970 3.066 2.075 3.751 . 0 0 "[ . 1 . 2]" 1
322 1 13 PRO HG2 1 14 LYS H . . 3.620 2.629 2.526 2.794 . 0 0 "[ . 1 . 2]" 1
323 1 30 TRP HB2 1 31 CYS H . . 3.260 2.813 2.746 2.848 . 0 0 "[ . 1 . 2]" 1
324 1 31 CYS H 1 31 CYS HB3 . . 3.690 3.594 3.590 3.600 . 0 0 "[ . 1 . 2]" 1
325 1 31 CYS HB3 1 32 LYS H . . 4.230 3.659 3.583 3.705 . 0 0 "[ . 1 . 2]" 1
326 1 9 SER H 1 31 CYS HB2 . . 4.200 3.513 3.392 3.698 . 0 0 "[ . 1 . 2]" 1
327 1 31 CYS HB2 1 32 LYS H . . 4.600 4.279 4.243 4.298 . 0 0 "[ . 1 . 2]" 1
328 1 22 TYR QD 1 23 LYS H . . 4.270 3.403 3.232 3.557 . 0 0 "[ . 1 . 2]" 1
329 1 9 SER QB 1 31 CYS H . . 4.600 4.227 4.050 4.414 . 0 0 "[ . 1 . 2]" 1
330 1 30 TRP H 1 32 LYS H . . 5.500 5.383 5.305 5.499 . 0 0 "[ . 1 . 2]" 1
331 1 23 LYS QE 1 24 CYS H . . 4.570 4.400 4.038 4.572 0.002 19 0 "[ . 1 . 2]" 1
332 1 19 CYS H 1 19 CYS HB3 . . 4.020 3.519 3.507 3.528 . 0 0 "[ . 1 . 2]" 1
333 1 5 LEU HB2 1 19 CYS H . . 4.990 3.795 3.564 3.901 . 0 0 "[ . 1 . 2]" 1
334 1 18 CYS QB 1 19 CYS H . . 4.230 2.632 2.572 3.108 . 0 0 "[ . 1 . 2]" 1
335 1 19 CYS H 1 22 TYR QD . . 5.240 3.531 3.360 3.767 . 0 0 "[ . 1 . 2]" 1
336 1 5 LEU H 1 18 CYS H . . 5.260 4.817 4.498 5.189 . 0 0 "[ . 1 . 2]" 1
337 1 18 CYS H 1 19 CYS H . . 4.890 4.529 4.519 4.556 . 0 0 "[ . 1 . 2]" 1
338 1 12 SER H 1 17 LYS H . . 4.930 4.552 4.292 4.931 0.001 17 0 "[ . 1 . 2]" 1
339 1 5 LEU MD1 1 19 CYS H . . 5.500 5.145 4.713 5.319 . 0 0 "[ . 1 . 2]" 1
340 1 19 CYS H 1 20 PRO HD2 . . 5.330 4.709 4.707 4.711 . 0 0 "[ . 1 . 2]" 1
341 1 24 CYS HA 1 30 TRP H . . 5.350 5.047 4.885 5.127 . 0 0 "[ . 1 . 2]" 1
342 1 28 ASP HA 1 30 TRP H . . 5.500 4.738 4.707 4.763 . 0 0 "[ . 1 . 2]" 1
343 1 35 ILE H 1 35 ILE MG . . 4.220 3.669 2.301 3.900 . 0 0 "[ . 1 . 2]" 1
344 1 35 ILE H 1 35 ILE MD . . 4.540 3.392 1.978 3.905 . 0 0 "[ . 1 . 2]" 1
345 1 19 CYS HB2 1 22 TYR QD . . 3.930 2.715 2.476 2.930 . 0 0 "[ . 1 . 2]" 1
346 1 22 TYR QD 1 33 TYR HA . . 3.930 2.055 1.998 2.270 . 0 0 "[ . 1 . 2]" 1
347 1 18 CYS QB 1 22 TYR QD . . 3.610 3.413 3.088 3.604 . 0 0 "[ . 1 . 2]" 1
348 1 19 CYS HB3 1 22 TYR QD . . 3.530 3.190 2.968 3.456 . 0 0 "[ . 1 . 2]" 1
349 1 19 CYS HB2 1 22 TYR QE . . 4.400 2.549 2.292 2.921 . 0 0 "[ . 1 . 2]" 1
350 1 30 TRP HB3 1 30 TRP HD1 . . 3.840 3.026 3.016 3.034 . 0 0 "[ . 1 . 2]" 1
351 1 28 ASP HB3 1 30 TRP HD1 . . 4.350 2.544 2.453 2.641 . 0 0 "[ . 1 . 2]" 1
352 1 28 ASP HB2 1 30 TRP HD1 . . 3.900 2.347 2.265 2.424 . 0 0 "[ . 1 . 2]" 1
353 1 7 TRP HD1 1 8 ALA MB . . 4.470 3.008 2.374 3.884 . 0 0 "[ . 1 . 2]" 1
354 1 7 TRP HE3 1 22 TYR QE . . 4.640 3.937 3.221 4.640 . 0 0 "[ . 1 . 2]" 1
355 1 7 TRP H 1 7 TRP HD1 . . 4.820 3.843 1.948 4.637 . 0 0 "[ . 1 . 2]" 1
356 1 7 TRP QB 1 22 TYR QE . . 3.470 2.998 2.864 3.178 . 0 0 "[ . 1 . 2]" 1
357 1 22 TYR QE 1 33 TYR HA . . 4.490 3.300 3.139 3.644 . 0 0 "[ . 1 . 2]" 1
358 1 19 CYS HB3 1 22 TYR QE . . 4.190 3.072 2.820 3.352 . 0 0 "[ . 1 . 2]" 1
359 1 2 GLU QB 1 3 ASP H . . 4.150 3.447 2.337 4.043 . 0 0 "[ . 1 . 2]" 1
360 1 3 ASP H 1 3 ASP QB . . 3.210 2.490 2.249 2.946 . 0 0 "[ . 1 . 2]" 1
361 1 3 ASP QB 1 4 CYS H . . 3.860 3.713 3.595 3.872 0.012 14 0 "[ . 1 . 2]" 1
362 1 4 CYS QB 1 17 LYS QB . . 5.080 4.641 4.377 4.878 . 0 0 "[ . 1 . 2]" 1
363 1 5 LEU H 1 17 LYS QB . . 4.290 4.230 3.952 4.292 0.002 20 0 "[ . 1 . 2]" 1
364 1 5 LEU HG 1 17 LYS QB . . 4.880 3.965 3.358 4.740 . 0 0 "[ . 1 . 2]" 1
365 1 5 LEU MD1 1 17 LYS QB . . 3.860 3.194 2.089 3.807 . 0 0 "[ . 1 . 2]" 1
366 1 6 GLY QA 1 7 TRP H . . 2.760 2.274 2.244 2.282 . 0 0 "[ . 1 . 2]" 1
367 1 6 GLY QA 1 22 TYR QE . . 4.900 4.222 3.855 4.671 . 0 0 "[ . 1 . 2]" 1
368 1 9 SER HA 1 10 ARG QG . . 5.280 3.886 3.316 4.434 . 0 0 "[ . 1 . 2]" 1
369 1 10 ARG H 1 10 ARG QG . . 2.740 2.270 1.992 2.737 . 0 0 "[ . 1 . 2]" 1
370 1 10 ARG H 1 10 ARG QD . . 4.380 3.808 3.210 4.382 0.002 12 0 "[ . 1 . 2]" 1
371 1 10 ARG QB 1 10 ARG QG . . 2.370 2.018 1.989 2.060 . 0 0 "[ . 1 . 2]" 1
372 1 10 ARG QD 1 11 CYS H . . 3.980 3.355 2.728 3.981 0.001 12 0 "[ . 1 . 2]" 1
373 1 10 ARG QD 1 30 TRP HA . . 5.340 4.593 3.229 5.343 0.003 14 0 "[ . 1 . 2]" 1
374 1 12 SER H 1 12 SER QB . . 3.140 2.514 2.253 3.135 . 0 0 "[ . 1 . 2]" 1
375 1 12 SER QB 1 14 LYS H . . 4.420 2.348 2.213 3.494 . 0 0 "[ . 1 . 2]" 1
376 1 12 SER QB 1 15 ASN H . . 3.610 2.667 2.454 3.126 . 0 0 "[ . 1 . 2]" 1
377 1 13 PRO HA 1 16 ASP QB . . 4.080 3.313 3.239 3.374 . 0 0 "[ . 1 . 2]" 1
378 1 13 PRO HA 1 24 CYS QB . . 3.940 3.650 3.396 3.855 . 0 0 "[ . 1 . 2]" 1
379 1 14 LYS H 1 14 LYS QB . . 2.890 2.585 2.353 2.726 . 0 0 "[ . 1 . 2]" 1
380 1 14 LYS QB 1 15 ASN H . . 3.710 3.129 2.623 3.514 . 0 0 "[ . 1 . 2]" 1
381 1 14 LYS QG 1 15 ASN H . . 4.230 2.871 2.008 4.143 . 0 0 "[ . 1 . 2]" 1
382 1 15 ASN H 1 15 ASN QB . . 3.350 2.679 2.442 3.182 . 0 0 "[ . 1 . 2]" 1
383 1 16 ASP H 1 16 ASP QB . . 2.570 2.251 2.219 2.284 . 0 0 "[ . 1 . 2]" 1
384 1 16 ASP QB 1 18 CYS H . . 4.870 4.388 4.259 4.496 . 0 0 "[ . 1 . 2]" 1
385 1 17 LYS H 1 17 LYS QB . . 3.130 2.769 2.437 3.063 . 0 0 "[ . 1 . 2]" 1
386 1 17 LYS H 1 17 LYS QG . . 3.770 2.961 2.202 3.730 . 0 0 "[ . 1 . 2]" 1
387 1 17 LYS HA 1 17 LYS QG . . 3.740 2.836 2.220 3.438 . 0 0 "[ . 1 . 2]" 1
388 1 17 LYS QB 1 17 LYS QD . . 2.360 2.179 2.028 2.358 . 0 0 "[ . 1 . 2]" 1
389 1 17 LYS QB 1 18 CYS H . . 4.280 3.948 3.906 4.008 . 0 0 "[ . 1 . 2]" 1
390 1 17 LYS QG 1 18 CYS H . . 4.710 4.414 4.126 4.650 . 0 0 "[ . 1 . 2]" 1
391 1 19 CYS HB3 1 20 PRO QB . . 5.270 4.702 4.696 4.711 . 0 0 "[ . 1 . 2]" 1
392 1 20 PRO QB 1 21 ASN H . . 3.760 2.340 2.277 2.400 . 0 0 "[ . 1 . 2]" 1
393 1 21 ASN H 1 21 ASN QD . . 4.130 3.798 2.940 4.082 . 0 0 "[ . 1 . 2]" 1
394 1 23 LYS H 1 23 LYS QG . . 4.500 4.302 4.145 4.352 . 0 0 "[ . 1 . 2]" 1
395 1 23 LYS HA 1 23 LYS QG . . 3.360 2.549 2.197 3.105 . 0 0 "[ . 1 . 2]" 1
396 1 23 LYS QG 1 24 CYS H . . 3.800 3.500 3.270 3.797 . 0 0 "[ . 1 . 2]" 1
397 1 23 LYS QG 1 34 LYS QG . . 4.160 3.698 2.949 4.104 . 0 0 "[ . 1 . 2]" 1
398 1 24 CYS QB 1 25 SER H . . 4.100 3.758 3.620 3.934 . 0 0 "[ . 1 . 2]" 1
399 1 24 CYS QB 1 32 LYS H . . 5.340 4.798 4.706 4.978 . 0 0 "[ . 1 . 2]" 1
400 1 25 SER H 1 32 LYS QD . . 4.850 4.665 4.387 4.851 0.001 17 0 "[ . 1 . 2]" 1
401 1 25 SER HB2 1 32 LYS QD . . 3.830 2.183 1.991 2.452 . 0 0 "[ . 1 . 2]" 1
402 1 25 SER HB2 1 32 LYS QE . . 4.560 3.926 3.058 4.323 . 0 0 "[ . 1 . 2]" 1
403 1 25 SER HB3 1 32 LYS QD . . 4.070 3.351 3.145 3.631 . 0 0 "[ . 1 . 2]" 1
404 1 27 LYS H 1 27 LYS QG . . 3.800 3.488 3.373 3.567 . 0 0 "[ . 1 . 2]" 1
405 1 27 LYS HA 1 27 LYS QG . . 3.370 2.230 2.136 2.412 . 0 0 "[ . 1 . 2]" 1
406 1 27 LYS QG 1 28 ASP H . . 5.210 4.281 4.275 4.285 . 0 0 "[ . 1 . 2]" 1
407 1 29 LEU QB 1 29 LEU MD1 . . 3.220 2.065 1.995 2.098 . 0 0 "[ . 1 . 2]" 1
408 1 29 LEU QB 1 29 LEU MD2 . . 3.240 2.209 2.127 2.276 . 0 0 "[ . 1 . 2]" 1
409 1 30 TRP HE1 1 32 LYS QD . . 4.160 2.834 2.528 3.570 . 0 0 "[ . 1 . 2]" 1
410 1 30 TRP HE1 1 32 LYS QE . . 4.690 3.592 2.087 4.484 . 0 0 "[ . 1 . 2]" 1
411 1 30 TRP HZ2 1 32 LYS QE . . 4.850 2.785 1.966 3.971 . 0 0 "[ . 1 . 2]" 1
412 1 32 LYS H 1 32 LYS QB . . 3.540 2.178 2.162 2.204 . 0 0 "[ . 1 . 2]" 1
413 1 32 LYS QB 1 33 TYR H . . 3.330 2.261 2.104 2.436 . 0 0 "[ . 1 . 2]" 1
414 1 33 TYR H 1 33 TYR QB . . 3.210 2.436 2.108 2.749 . 0 0 "[ . 1 . 2]" 1
415 1 33 TYR QB 1 34 LYS H . . 3.670 3.130 2.767 3.613 . 0 0 "[ . 1 . 2]" 1
416 1 33 TYR QB 1 35 ILE H . . 4.530 2.868 2.588 3.165 . 0 0 "[ . 1 . 2]" 1
417 1 33 TYR QB 1 35 ILE MG . . 5.340 4.738 3.816 5.281 . 0 0 "[ . 1 . 2]" 1
418 1 34 LYS QB 1 35 ILE H . . 3.570 2.935 2.896 2.986 . 0 0 "[ . 1 . 2]" 1
419 1 35 ILE H 1 35 ILE QG . . 3.500 2.302 1.935 3.043 . 0 0 "[ . 1 . 2]" 1
420 1 35 ILE HA 1 35 ILE QG . . 3.650 2.695 2.320 3.309 . 0 0 "[ . 1 . 2]" 1
421 1 35 ILE MG 1 36 TRP QB . . 5.340 4.138 3.446 5.372 0.032 15 0 "[ . 1 . 2]" 1
422 1 35 ILE QG 1 36 TRP H . . 5.130 4.202 3.569 4.678 . 0 0 "[ . 1 . 2]" 1
423 1 36 TRP H 1 36 TRP QB . . 3.190 2.576 2.258 3.100 . 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 9
_Distance_constraint_stats_list.Viol_count 158
_Distance_constraint_stats_list.Viol_total 1160.283
_Distance_constraint_stats_list.Viol_max 0.602
_Distance_constraint_stats_list.Viol_rms 0.2583
_Distance_constraint_stats_list.Viol_average_all_restraints 0.3223
_Distance_constraint_stats_list.Viol_average_violations_only 0.3672
_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 4 CYS 19.044 0.601 6 19 "[*-***+* ************]"
1 11 CYS 24.420 0.602 5 20 [****+******-********]
1 18 CYS 14.550 0.602 12 19 "[*****-*****+*** ****]"
1 19 CYS 19.044 0.601 6 19 "[*-***+* ************]"
1 24 CYS 24.420 0.602 5 20 [****+******-********]
1 31 CYS 14.550 0.602 12 19 "[*****-*****+*** ****]"
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 4 CYS SG 1 19 CYS SG . . 1.960 1.964 1.959 1.981 0.021 15 0 "[ . 1 . 2]" 2
2 1 4 CYS SG 1 19 CYS CB . . 2.900 3.459 3.347 3.501 0.601 6 19 "[*-***+* ************]" 2
3 1 4 CYS CB 1 19 CYS SG . . 2.900 3.288 3.166 3.399 0.499 16 0 "[ . 1 . 2]" 2
4 1 11 CYS SG 1 24 CYS SG . . 1.960 2.016 1.960 2.092 0.132 14 0 "[ . 1 . 2]" 2
5 1 11 CYS SG 1 24 CYS CB . . 2.900 3.481 3.327 3.502 0.602 5 19 "[* **+*********-*****]" 2
6 1 11 CYS CB 1 24 CYS SG . . 2.900 3.484 3.406 3.501 0.601 8 20 [*******+***-********] 2
7 1 18 CYS SG 1 31 CYS SG . . 1.960 1.959 1.957 1.966 0.006 16 0 "[ . 1 . 2]" 2
8 1 18 CYS SG 1 31 CYS CB . . 2.900 3.472 2.993 3.502 0.602 12 19 "[*****-*****+*** ****]" 2
9 1 18 CYS CB 1 31 CYS SG . . 2.900 3.056 2.911 3.227 0.327 17 0 "[ . 1 . 2]" 2
stop_
save_
Contact the webmaster for help, if required. Saturday, June 1, 2024 5:25:31 PM GMT (wattos1)