NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
644689 |
6qk6   |
34356 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6qk6
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 551
_Distance_constraint_stats_list.Viol_count 379
_Distance_constraint_stats_list.Viol_total 556.336
_Distance_constraint_stats_list.Viol_max 0.986
_Distance_constraint_stats_list.Viol_rms 0.0209
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0025
_Distance_constraint_stats_list.Viol_average_violations_only 0.0734
_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 4 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 GLY 0.005 0.005 13 0 "[ . 1 . 2]"
1 6 LYS 0.425 0.237 3 0 "[ . 1 . 2]"
1 7 GLY 0.406 0.237 3 0 "[ . 1 . 2]"
1 8 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 LYS 0.713 0.237 3 0 "[ . 1 . 2]"
1 10 CYS 0.759 0.133 12 0 "[ . 1 . 2]"
1 11 THR 4.563 0.237 4 0 "[ . 1 . 2]"
1 12 SER 0.659 0.158 19 0 "[ . 1 . 2]"
1 13 ALA 0.004 0.004 16 0 "[ . 1 . 2]"
1 14 CYS 0.090 0.051 15 0 "[ . 1 . 2]"
1 15 ARG 0.450 0.237 3 0 "[ . 1 . 2]"
1 16 SER 0.890 0.214 17 0 "[ . 1 . 2]"
1 17 GLU 1.117 0.214 17 0 "[ . 1 . 2]"
1 18 PRO 2.447 0.986 19 1 "[ . 1 . +2]"
1 19 CYS 2.338 0.167 9 0 "[ . 1 . 2]"
1 20 GLN 1.455 0.986 19 1 "[ . 1 . +2]"
1 21 CYS 0.631 0.165 14 0 "[ . 1 . 2]"
1 22 GLY 1.839 0.621 11 2 "[ - 1+ . 2]"
1 23 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 CYS 2.349 0.621 11 2 "[ - 1+ . 2]"
1 26 GLN 2.418 0.237 4 0 "[ . 1 . 2]"
1 27 CYS 0.117 0.084 5 0 "[ . 1 . 2]"
1 28 GLY 2.276 0.142 4 0 "[ . 1 . 2]"
1 29 GLU 0.049 0.049 9 0 "[ . 1 . 2]"
1 30 GLY 0.141 0.141 12 0 "[ . 1 . 2]"
1 31 CYS 0.824 0.265 12 0 "[ . 1 . 2]"
1 32 THR 0.719 0.265 12 0 "[ . 1 . 2]"
1 33 CYS 1.115 0.389 11 0 "[ . 1 . 2]"
1 34 ALA 0.289 0.275 11 0 "[ . 1 . 2]"
1 35 ALA 1.770 0.167 9 0 "[ . 1 . 2]"
1 36 CYS 0.355 0.355 11 0 "[ . 1 . 2]"
1 37 LYS 1.993 0.389 11 0 "[ . 1 . 2]"
1 38 THR 1.924 0.319 8 0 "[ . 1 . 2]"
1 39 CYS 0.508 0.096 2 0 "[ . 1 . 2]"
1 40 ASN 0.446 0.146 13 0 "[ . 1 . 2]"
1 41 CYS 2.344 0.154 1 0 "[ . 1 . 2]"
1 42 THR 3.085 0.180 8 0 "[ . 1 . 2]"
1 43 SER 0.107 0.057 10 0 "[ . 1 . 2]"
1 44 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 GLY 1.273 0.180 8 0 "[ . 1 . 2]"
1 46 CYS 2.517 0.248 19 0 "[ . 1 . 2]"
1 47 LYS 0.787 0.098 2 0 "[ . 1 . 2]"
1 48 CYS 0.674 0.098 2 0 "[ . 1 . 2]"
1 49 GLY 0.239 0.085 8 0 "[ . 1 . 2]"
1 50 LYS 0.203 0.064 6 0 "[ . 1 . 2]"
1 51 GLU 0.209 0.064 6 0 "[ . 1 . 2]"
1 52 CYS 0.387 0.084 19 0 "[ . 1 . 2]"
1 53 THR 2.053 0.248 19 0 "[ . 1 . 2]"
1 54 GLY 1.160 0.151 2 0 "[ . 1 . 2]"
1 55 PRO 0.925 0.138 2 0 "[ . 1 . 2]"
1 56 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 SER 0.508 0.107 5 0 "[ . 1 . 2]"
1 58 CYS 0.804 0.138 2 0 "[ . 1 . 2]"
1 59 LYS 0.082 0.082 1 0 "[ . 1 . 2]"
1 60 CYS 0.082 0.082 1 0 "[ . 1 . 2]"
1 61 GLY 0.091 0.058 8 0 "[ . 1 . 2]"
1 62 SER 0.214 0.087 9 0 "[ . 1 . 2]"
1 63 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 CYS 0.217 0.087 9 0 "[ . 1 . 2]"
1 65 SER 0.003 0.003 1 0 "[ . 1 . 2]"
1 66 CYS 1.751 0.146 13 0 "[ . 1 . 2]"
1 67 LYS 0.374 0.141 12 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 14 CYS QB 1 16 SER H 4.900 . 4.900 4.537 4.400 4.686 . 0 0 "[ . 1 . 2]" 1
2 1 16 SER H 1 20 GLN QG 5.300 . 5.300 4.253 3.940 4.517 . 0 0 "[ . 1 . 2]" 1
3 1 16 SER H 1 20 GLN QB 5.240 . 5.240 4.582 4.249 4.821 . 0 0 "[ . 1 . 2]" 1
4 1 15 ARG QB 1 16 SER H 5.500 . 5.500 3.214 2.755 3.504 . 0 0 "[ . 1 . 2]" 1
5 1 13 ALA MB 1 16 SER H 5.000 . 5.000 4.590 4.398 4.788 . 0 0 "[ . 1 . 2]" 1
6 1 14 CYS HA 1 16 SER H 4.220 . 4.220 3.515 3.316 3.980 . 0 0 "[ . 1 . 2]" 1
7 1 13 ALA H 1 16 SER H 5.500 . 5.500 5.112 4.720 5.504 0.004 16 0 "[ . 1 . 2]" 1
8 1 15 ARG H 1 16 SER H 3.170 . 3.170 2.530 2.384 2.712 . 0 0 "[ . 1 . 2]" 1
9 1 19 CYS H 1 19 CYS HB2 2.900 . 2.900 2.357 2.132 2.517 . 0 0 "[ . 1 . 2]" 1
10 1 19 CYS H 1 19 CYS HB3 3.020 . 3.020 2.681 2.561 2.834 . 0 0 "[ . 1 . 2]" 1
11 1 18 PRO HB2 1 19 CYS H 3.200 . 3.200 2.647 2.272 2.981 . 0 0 "[ . 1 . 2]" 1
12 1 19 CYS H 1 35 ALA MB 3.850 . 3.850 3.734 3.324 3.972 0.122 13 0 "[ . 1 . 2]" 1
13 1 48 CYS H 1 48 CYS QB . . 3.620 2.506 2.308 2.737 . 0 0 "[ . 1 . 2]" 1
14 1 48 CYS H 1 66 CYS QB 5.270 . 5.270 3.743 3.283 4.321 . 0 0 "[ . 1 . 2]" 1
15 1 47 LYS HB2 1 48 CYS H 4.220 . 4.220 3.243 2.526 3.814 . 0 0 "[ . 1 . 2]" 1
16 1 47 LYS H 1 48 CYS H 3.010 . 3.010 2.002 1.872 2.112 . 0 0 "[ . 1 . 2]" 1
17 1 24 LYS HA 1 25 CYS H 3.180 . 3.180 2.552 2.154 3.082 . 0 0 "[ . 1 . 2]" 1
18 1 21 CYS HA 1 25 CYS H 4.830 . 4.830 4.454 3.519 4.995 0.165 14 0 "[ . 1 . 2]" 1
19 1 25 CYS H 1 26 GLN H 4.630 . 4.630 4.420 4.209 4.575 . 0 0 "[ . 1 . 2]" 1
20 1 53 THR HB 1 54 GLY H 5.330 . 5.330 4.007 3.847 4.113 . 0 0 "[ . 1 . 2]" 1
21 1 53 THR HA 1 54 GLY H 3.290 . 3.290 2.583 2.299 2.876 . 0 0 "[ . 1 . 2]" 1
22 1 53 THR MG 1 54 GLY H 4.560 . 4.560 4.334 4.235 4.399 . 0 0 "[ . 1 . 2]" 1
23 1 53 THR H 1 54 GLY H 3.580 . 3.580 2.986 2.513 3.512 . 0 0 "[ . 1 . 2]" 1
24 1 42 THR H 1 54 GLY H 5.370 . 5.370 5.274 4.549 5.521 0.151 2 0 "[ . 1 . 2]" 1
25 1 25 CYS QB 1 26 GLN H 5.500 . 5.500 3.345 3.198 3.570 . 0 0 "[ . 1 . 2]" 1
26 1 14 CYS QB 1 26 GLN H 5.500 . 5.500 3.998 3.665 4.321 . 0 0 "[ . 1 . 2]" 1
27 1 26 GLN H 1 26 GLN HB2 3.410 . 3.410 2.744 2.487 3.135 . 0 0 "[ . 1 . 2]" 1
28 1 42 THR HB 1 44 ASP H 3.680 . 3.680 2.772 2.595 3.113 . 0 0 "[ . 1 . 2]" 1
29 1 44 ASP H 1 45 GLY QA 5.500 . 5.500 4.050 3.686 4.266 . 0 0 "[ . 1 . 2]" 1
30 1 42 THR MG 1 44 ASP H 4.500 . 4.500 4.133 4.026 4.305 . 0 0 "[ . 1 . 2]" 1
31 1 42 THR H 1 44 ASP H 5.080 . 5.080 4.007 3.574 4.656 . 0 0 "[ . 1 . 2]" 1
32 1 43 SER H 1 44 ASP H 4.150 . 4.150 2.644 2.518 2.710 . 0 0 "[ . 1 . 2]" 1
33 1 60 CYS QB 1 61 GLY H 3.430 . 3.430 2.790 2.172 3.253 . 0 0 "[ . 1 . 2]" 1
34 1 61 GLY H 1 64 CYS QB . . 4.820 3.642 2.669 4.548 . 0 0 "[ . 1 . 2]" 1
35 1 60 CYS H 1 61 GLY H 4.890 . 4.890 4.560 4.480 4.626 . 0 0 "[ . 1 . 2]" 1
36 1 38 THR HA 1 39 CYS H 2.540 . 2.540 2.489 2.175 2.636 0.096 2 0 "[ . 1 . 2]" 1
37 1 39 CYS H 1 55 PRO QD 3.600 . 3.600 3.242 2.803 3.594 . 0 0 "[ . 1 . 2]" 1
38 1 21 CYS HA 1 24 LYS H 4.850 . 4.850 2.968 2.543 3.316 . 0 0 "[ . 1 . 2]" 1
39 1 21 CYS QB 1 24 LYS H 5.500 . 5.500 4.084 3.778 4.483 . 0 0 "[ . 1 . 2]" 1
40 1 39 CYS H 1 39 CYS QB 3.700 . 3.700 2.678 2.487 2.783 . 0 0 "[ . 1 . 2]" 1
41 1 24 LYS H 1 24 LYS QB 3.480 . 3.480 2.660 2.336 3.154 . 0 0 "[ . 1 . 2]" 1
42 1 22 GLY H 1 24 LYS H 4.920 . 4.920 3.966 3.160 4.664 . 0 0 "[ . 1 . 2]" 1
43 1 55 PRO HA 1 57 SER H 4.410 . 4.410 4.294 3.787 4.517 0.107 5 0 "[ . 1 . 2]" 1
44 1 57 SER H 1 58 CYS H 3.100 . 3.100 2.397 2.190 3.027 . 0 0 "[ . 1 . 2]" 1
45 1 56 ASP H 1 57 SER H 4.010 . 4.010 2.587 2.441 2.701 . 0 0 "[ . 1 . 2]" 1
46 1 46 CYS H 1 51 GLU HA 5.500 . 5.500 4.092 3.315 4.556 . 0 0 "[ . 1 . 2]" 1
47 1 41 CYS QB 1 46 CYS H 4.970 . 4.970 4.251 3.103 4.730 . 0 0 "[ . 1 . 2]" 1
48 1 46 CYS H 1 53 THR MG 3.430 . 3.430 2.769 1.845 3.321 . 0 0 "[ . 1 . 2]" 1
49 1 46 CYS H 1 47 LYS H 4.880 . 4.880 4.500 4.126 4.616 . 0 0 "[ . 1 . 2]" 1
50 1 10 CYS HA 1 27 CYS H 5.150 . 5.150 4.750 4.452 5.005 . 0 0 "[ . 1 . 2]" 1
51 1 27 CYS H 1 27 CYS QB 2.930 . 2.930 2.362 2.290 2.427 . 0 0 "[ . 1 . 2]" 1
52 1 26 GLN HB3 1 27 CYS H 4.520 . 4.520 4.300 3.814 4.447 . 0 0 "[ . 1 . 2]" 1
53 1 26 GLN HB2 1 27 CYS H 4.280 . 4.280 3.972 3.690 4.364 0.084 5 0 "[ . 1 . 2]" 1
54 1 11 THR MG 1 27 CYS H 3.790 . 3.790 2.779 2.504 2.933 . 0 0 "[ . 1 . 2]" 1
55 1 27 CYS H 1 28 GLY H 4.890 . 4.890 4.548 4.408 4.622 . 0 0 "[ . 1 . 2]" 1
56 1 14 CYS H 1 14 CYS QB . . 2.930 2.265 2.238 2.291 . 0 0 "[ . 1 . 2]" 1
57 1 13 ALA MB 1 14 CYS H 3.280 . 3.280 2.553 2.382 2.736 . 0 0 "[ . 1 . 2]" 1
58 1 32 THR HA 1 33 CYS H 3.500 . 3.500 3.065 2.443 3.217 . 0 0 "[ . 1 . 2]" 1
59 1 31 CYS HA 1 33 CYS H 4.730 . 4.730 3.698 3.320 4.724 . 0 0 "[ . 1 . 2]" 1
60 1 32 THR MG 1 33 CYS H 4.470 . 4.470 3.400 3.161 4.235 . 0 0 "[ . 1 . 2]" 1
61 1 32 THR H 1 33 CYS H 3.580 . 3.580 2.265 1.981 2.974 . 0 0 "[ . 1 . 2]" 1
62 1 31 CYS H 1 33 CYS H 5.500 . 5.500 4.719 4.156 4.893 . 0 0 "[ . 1 . 2]" 1
63 1 19 CYS HB2 1 35 ALA H 5.500 . 5.500 4.967 4.508 5.304 . 0 0 "[ . 1 . 2]" 1
64 1 19 CYS HB3 1 35 ALA H 5.240 . 5.240 3.410 3.227 3.589 . 0 0 "[ . 1 . 2]" 1
65 1 35 ALA H 1 35 ALA MB 2.750 . 2.750 2.262 2.233 2.305 . 0 0 "[ . 1 . 2]" 1
66 1 35 ALA H 1 36 CYS H 2.920 . 2.920 2.516 2.230 2.767 . 0 0 "[ . 1 . 2]" 1
67 1 35 ALA H 1 36 CYS HA 5.290 . 5.290 5.133 4.920 5.288 . 0 0 "[ . 1 . 2]" 1
68 1 20 GLN HA 1 22 GLY H 5.090 . 5.090 3.524 3.065 5.043 . 0 0 "[ . 1 . 2]" 1
69 1 22 GLY H 1 25 CYS QB 5.500 . 5.500 4.286 2.798 4.934 . 0 0 "[ . 1 . 2]" 1
70 1 21 CYS QB 1 22 GLY H 3.950 . 3.950 3.324 1.994 3.810 . 0 0 "[ . 1 . 2]" 1
71 1 21 CYS H 1 22 GLY H 3.470 . 3.470 2.870 2.627 3.507 0.037 4 0 "[ . 1 . 2]" 1
72 1 10 CYS HA 1 11 THR H 2.850 . 2.850 2.280 2.147 2.482 . 0 0 "[ . 1 . 2]" 1
73 1 11 THR H 1 12 SER HA 5.380 . 5.380 5.380 5.235 5.538 0.158 19 0 "[ . 1 . 2]" 1
74 1 10 CYS QB 1 11 THR H 3.530 . 3.530 2.209 1.914 2.490 . 0 0 "[ . 1 . 2]" 1
75 1 11 THR H 1 14 CYS QB 3.720 . 3.720 2.482 2.305 2.717 . 0 0 "[ . 1 . 2]" 1
76 1 11 THR H 1 11 THR MG 3.100 . 3.100 2.229 2.017 2.476 . 0 0 "[ . 1 . 2]" 1
77 1 11 THR H 1 26 GLN H 5.500 . 5.500 4.156 3.863 4.455 . 0 0 "[ . 1 . 2]" 1
78 1 11 THR H 1 28 GLY H 5.500 . 5.500 5.507 5.173 5.642 0.142 4 0 "[ . 1 . 2]" 1
79 1 11 THR H 1 13 ALA H 4.960 . 4.960 4.544 4.341 4.787 . 0 0 "[ . 1 . 2]" 1
80 1 11 THR H 1 15 ARG H 4.850 . 4.850 4.624 4.216 4.932 0.082 10 0 "[ . 1 . 2]" 1
81 1 11 THR HA 1 13 ALA H 4.770 . 4.770 4.000 3.796 4.208 . 0 0 "[ . 1 . 2]" 1
82 1 13 ALA H 1 13 ALA MB 3.050 . 3.050 2.223 2.185 2.246 . 0 0 "[ . 1 . 2]" 1
83 1 13 ALA H 1 14 CYS H 3.720 . 3.720 2.504 2.342 2.694 . 0 0 "[ . 1 . 2]" 1
84 1 53 THR H 1 53 THR HB 4.120 . 4.120 3.791 3.709 3.865 . 0 0 "[ . 1 . 2]" 1
85 1 52 CYS QB 1 53 THR H . . 3.910 2.742 2.582 2.910 . 0 0 "[ . 1 . 2]" 1
86 1 53 THR H 1 53 THR MG 3.560 . 3.560 3.103 2.950 3.282 . 0 0 "[ . 1 . 2]" 1
87 1 65 SER HA 1 67 LYS H 4.140 . 4.140 3.502 3.274 3.927 . 0 0 "[ . 1 . 2]" 1
88 1 64 CYS QB 1 67 LYS H 5.260 . 5.260 3.397 2.929 3.569 . 0 0 "[ . 1 . 2]" 1
89 1 67 LYS H 1 67 LYS QB 2.930 . 2.930 2.599 2.428 2.720 . 0 0 "[ . 1 . 2]" 1
90 1 67 LYS H 1 67 LYS QG 3.040 . 3.040 2.734 2.513 2.892 . 0 0 "[ . 1 . 2]" 1
91 1 41 CYS H 1 54 GLY QA 4.700 . 4.700 4.543 3.911 4.703 0.003 13 0 "[ . 1 . 2]" 1
92 1 41 CYS H 1 41 CYS QB 2.870 . 2.870 2.437 2.379 2.483 . 0 0 "[ . 1 . 2]" 1
93 1 41 CYS H 1 42 THR MG 4.890 . 4.890 4.721 4.216 4.980 0.090 20 0 "[ . 1 . 2]" 1
94 1 41 CYS H 1 42 THR H 4.650 . 4.650 4.552 4.470 4.605 . 0 0 "[ . 1 . 2]" 1
95 1 41 CYS H 1 54 GLY H 4.770 . 4.770 4.266 3.817 4.749 . 0 0 "[ . 1 . 2]" 1
96 1 41 CYS H 1 66 CYS HA 4.680 . 4.680 4.708 4.383 4.821 0.141 5 0 "[ . 1 . 2]" 1
97 1 40 ASN H 1 41 CYS H 3.090 . 3.090 2.133 1.942 2.303 . 0 0 "[ . 1 . 2]" 1
98 1 27 CYS HA 1 28 GLY H 2.770 . 2.770 2.248 2.055 2.640 . 0 0 "[ . 1 . 2]" 1
99 1 28 GLY H 1 31 CYS HA 5.500 . 5.500 5.113 4.479 5.558 0.058 8 0 "[ . 1 . 2]" 1
100 1 27 CYS QB 1 28 GLY H 3.360 . 3.360 2.657 1.870 3.301 . 0 0 "[ . 1 . 2]" 1
101 1 9 LYS QB 1 28 GLY H 3.380 . 3.380 2.074 1.734 2.461 . 0 0 "[ . 1 . 2]" 1
102 1 9 LYS QB 1 28 GLY H 4.640 . 4.640 2.064 1.727 2.453 . 0 0 "[ . 1 . 2]" 1
103 1 10 CYS H 1 28 GLY H 4.580 . 4.580 4.544 4.255 4.703 0.123 10 0 "[ . 1 . 2]" 1
104 1 20 GLN H 1 21 CYS HA 4.790 . 4.790 4.595 4.335 4.846 0.056 7 0 "[ . 1 . 2]" 1
105 1 20 GLN H 1 21 CYS QB 4.810 . 4.810 4.379 4.179 4.604 . 0 0 "[ . 1 . 2]" 1
106 1 20 GLN H 1 20 GLN QG 3.520 . 3.520 2.677 2.319 3.081 . 0 0 "[ . 1 . 2]" 1
107 1 20 GLN H 1 20 GLN QB 3.120 . 3.120 2.507 2.407 2.579 . 0 0 "[ . 1 . 2]" 1
108 1 13 ALA MB 1 20 GLN H 3.940 . 3.940 2.994 2.806 3.133 . 0 0 "[ . 1 . 2]" 1
109 1 14 CYS H 1 20 GLN H 4.960 . 4.960 3.742 3.639 3.890 . 0 0 "[ . 1 . 2]" 1
110 1 14 CYS HA 1 20 GLN H 3.800 . 3.800 3.171 2.743 3.409 . 0 0 "[ . 1 . 2]" 1
111 1 42 THR HB 1 43 SER H 3.040 . 3.040 2.015 1.840 2.231 . 0 0 "[ . 1 . 2]" 1
112 1 42 THR MG 1 43 SER H 3.950 . 3.950 3.467 3.373 3.560 . 0 0 "[ . 1 . 2]" 1
113 1 31 CYS H 1 32 THR HB 5.500 . 5.500 5.354 4.578 5.765 0.265 12 0 "[ . 1 . 2]" 1
114 1 29 GLU QB 1 31 CYS H 5.500 . 5.500 4.640 4.375 4.900 . 0 0 "[ . 1 . 2]" 1
115 1 30 GLY H 1 31 CYS H 4.140 . 4.140 2.999 1.894 3.740 . 0 0 "[ . 1 . 2]" 1
116 1 59 LYS H 1 60 CYS HA 4.820 . 4.820 4.477 4.187 4.902 0.082 1 0 "[ . 1 . 2]" 1
117 1 52 CYS QB 1 59 LYS H 3.700 . 3.700 3.015 2.366 3.498 . 0 0 "[ . 1 . 2]" 1
118 1 20 GLN HA 1 21 CYS H 3.500 . 3.500 3.107 2.999 3.241 . 0 0 "[ . 1 . 2]" 1
119 1 58 CYS HA 1 60 CYS H 4.120 . 4.120 3.535 3.353 3.905 . 0 0 "[ . 1 . 2]" 1
120 1 21 CYS H 1 21 CYS QB 2.910 . 2.910 2.388 2.273 2.511 . 0 0 "[ . 1 . 2]" 1
121 1 60 CYS H 1 60 CYS QB 2.900 . 2.900 2.622 2.540 2.729 . 0 0 "[ . 1 . 2]" 1
122 1 20 GLN QB 1 21 CYS H 4.990 . 4.990 3.120 2.733 3.389 . 0 0 "[ . 1 . 2]" 1
123 1 13 ALA MB 1 21 CYS H 3.940 . 3.940 3.163 2.886 3.440 . 0 0 "[ . 1 . 2]" 1
124 1 20 GLN H 1 21 CYS H 2.920 . 2.920 2.442 2.242 2.644 . 0 0 "[ . 1 . 2]" 1
125 1 19 CYS H 1 21 CYS H 5.500 . 5.500 4.903 4.581 5.237 . 0 0 "[ . 1 . 2]" 1
126 1 14 CYS H 1 21 CYS H 5.500 . 5.500 4.656 4.472 4.851 . 0 0 "[ . 1 . 2]" 1
127 1 59 LYS H 1 60 CYS H 2.870 . 2.870 2.107 1.764 2.351 . 0 0 "[ . 1 . 2]" 1
128 1 43 SER HA 1 45 GLY H 3.990 . 3.990 3.763 3.409 4.047 0.057 10 0 "[ . 1 . 2]" 1
129 1 42 THR MG 1 45 GLY H 5.400 . 5.400 5.182 4.812 5.580 0.180 8 0 "[ . 1 . 2]" 1
130 1 45 GLY H 1 53 THR MG 3.670 . 3.670 3.015 2.632 3.404 . 0 0 "[ . 1 . 2]" 1
131 1 42 THR H 1 45 GLY H 4.010 . 4.010 3.671 3.100 4.080 0.070 8 0 "[ . 1 . 2]" 1
132 1 50 LYS H 1 51 GLU HA 4.630 . 4.630 4.544 4.302 4.694 0.064 6 0 "[ . 1 . 2]" 1
133 1 48 CYS QB 1 50 LYS H 5.220 . 5.220 3.861 3.624 4.149 . 0 0 "[ . 1 . 2]" 1
134 1 50 LYS H 1 50 LYS QG 3.330 . 3.330 2.585 2.298 3.157 . 0 0 "[ . 1 . 2]" 1
135 1 48 CYS HA 1 50 LYS H 5.370 . 5.370 4.839 4.660 5.064 . 0 0 "[ . 1 . 2]" 1
136 1 15 ARG H 1 16 SER HA 5.450 . 5.450 5.044 4.838 5.186 . 0 0 "[ . 1 . 2]" 1
137 1 14 CYS QB 1 15 ARG H 3.140 . 3.140 2.930 2.695 3.094 . 0 0 "[ . 1 . 2]" 1
138 1 13 ALA MB 1 15 ARG H 4.960 . 4.960 4.297 4.160 4.438 . 0 0 "[ . 1 . 2]" 1
139 1 29 GLU QB 1 30 GLY H 5.200 . 5.200 3.364 2.429 3.977 . 0 0 "[ . 1 . 2]" 1
140 1 7 GLY QA 1 10 CYS H 5.500 . 5.500 3.640 2.765 4.547 . 0 0 "[ . 1 . 2]" 1
141 1 7 GLY QA 1 10 CYS H 4.640 . 4.640 3.324 2.759 4.453 . 0 0 "[ . 1 . 2]" 1
142 1 10 CYS H 1 10 CYS QB 2.880 . 2.880 2.375 2.225 2.482 . 0 0 "[ . 1 . 2]" 1
143 1 9 LYS QB 1 10 CYS H . . 3.910 3.294 2.759 3.711 . 0 0 "[ . 1 . 2]" 1
144 1 9 LYS H 1 10 CYS H 3.380 . 3.380 2.414 2.134 3.513 0.133 12 0 "[ . 1 . 2]" 1
145 1 36 CYS H 1 37 LYS HA 5.070 . 5.070 4.737 4.451 4.953 . 0 0 "[ . 1 . 2]" 1
146 1 36 CYS H 1 36 CYS QB 3.550 . 3.550 2.922 2.661 3.142 . 0 0 "[ . 1 . 2]" 1
147 1 35 ALA MB 1 36 CYS H 3.110 . 3.110 2.582 2.260 3.079 . 0 0 "[ . 1 . 2]" 1
148 1 33 CYS H 1 36 CYS H 5.500 . 5.500 4.293 3.828 4.517 . 0 0 "[ . 1 . 2]" 1
149 1 36 CYS H 1 37 LYS H 2.890 . 2.890 2.103 1.782 2.396 . 0 0 "[ . 1 . 2]" 1
150 1 34 ALA HA 1 37 LYS H 4.160 . 4.160 3.356 2.849 3.787 . 0 0 "[ . 1 . 2]" 1
151 1 36 CYS QB 1 37 LYS H . . 4.740 3.631 3.320 3.950 . 0 0 "[ . 1 . 2]" 1
152 1 34 ALA MB 1 37 LYS H 4.920 . 4.920 3.974 3.805 4.194 . 0 0 "[ . 1 . 2]" 1
153 1 37 LYS H 1 38 THR MG 5.380 . 5.380 5.418 5.157 5.699 0.319 8 0 "[ . 1 . 2]" 1
154 1 35 ALA H 1 37 LYS H 4.030 . 4.030 3.615 3.396 3.862 . 0 0 "[ . 1 . 2]" 1
155 1 16 SER HA 1 17 GLU H 2.750 . 2.750 2.363 2.272 2.532 . 0 0 "[ . 1 . 2]" 1
156 1 17 GLU H 1 18 PRO QD 5.270 . 5.270 4.600 4.453 4.718 . 0 0 "[ . 1 . 2]" 1
157 1 17 GLU H 1 17 GLU HB3 3.560 . 3.560 3.292 3.171 3.499 . 0 0 "[ . 1 . 2]" 1
158 1 32 THR H 1 32 THR MG 4.040 . 4.040 2.188 1.981 2.616 . 0 0 "[ . 1 . 2]" 1
159 1 28 GLY QA 1 29 GLU H . . 3.000 2.209 2.114 2.290 . 0 0 "[ . 1 . 2]" 1
160 1 29 GLU H 1 29 GLU QB 3.230 . 3.230 2.684 2.367 3.117 . 0 0 "[ . 1 . 2]" 1
161 1 28 GLY H 1 29 GLU H 4.560 . 4.560 4.167 3.229 4.449 . 0 0 "[ . 1 . 2]" 1
162 1 37 LYS HA 1 38 THR H 2.530 . 2.530 2.143 2.090 2.194 . 0 0 "[ . 1 . 2]" 1
163 1 38 THR H 1 38 THR HB 3.680 . 3.680 3.064 2.904 3.238 . 0 0 "[ . 1 . 2]" 1
164 1 37 LYS H 1 38 THR H 4.730 . 4.730 4.369 4.227 4.548 . 0 0 "[ . 1 . 2]" 1
165 1 39 CYS HA 1 40 ASN H 2.570 . 2.570 2.270 2.193 2.371 . 0 0 "[ . 1 . 2]" 1
166 1 40 ASN H 1 55 PRO QD 5.500 . 5.500 5.325 5.065 5.400 . 0 0 "[ . 1 . 2]" 1
167 1 39 CYS QB 1 40 ASN H 5.170 . 5.170 2.360 2.043 2.745 . 0 0 "[ . 1 . 2]" 1
168 1 40 ASN H 1 40 ASN QB 2.840 . 2.840 2.391 2.279 2.510 . 0 0 "[ . 1 . 2]" 1
169 1 40 ASN H 1 67 LYS QD 5.230 . 5.230 3.931 3.327 4.668 . 0 0 "[ . 1 . 2]" 1
170 1 39 CYS H 1 40 ASN H 4.550 . 4.550 4.275 4.152 4.389 . 0 0 "[ . 1 . 2]" 1
171 1 54 GLY QA 1 56 ASP H 4.190 . 4.190 3.422 3.042 3.878 . 0 0 "[ . 1 . 2]" 1
172 1 54 GLY QA 1 56 ASP H 4.680 . 4.680 2.856 2.641 3.118 . 0 0 "[ . 1 . 2]" 1
173 1 39 CYS QB 1 56 ASP H 4.840 . 4.840 2.931 2.168 3.405 . 0 0 "[ . 1 . 2]" 1
174 1 56 ASP H 1 58 CYS H 5.110 . 5.110 3.900 3.590 4.812 . 0 0 "[ . 1 . 2]" 1
175 1 39 CYS HA 1 40 ASN QD 4.960 . 4.960 2.505 2.069 3.138 . 0 0 "[ . 1 . 2]" 1
176 1 9 LYS H 1 10 CYS QB 4.960 . 4.960 4.360 4.004 4.825 . 0 0 "[ . 1 . 2]" 1
177 1 9 LYS H 1 9 LYS QB 3.430 . 3.430 2.352 2.090 2.601 . 0 0 "[ . 1 . 2]" 1
178 1 34 ALA H 1 34 ALA MB 2.920 . 2.920 2.313 2.221 2.934 0.014 11 0 "[ . 1 . 2]" 1
179 1 48 CYS QB 1 66 CYS H 4.430 . 4.430 3.041 2.781 3.295 . 0 0 "[ . 1 . 2]" 1
180 1 66 CYS H 1 66 CYS QB 3.160 . 3.160 2.556 2.420 2.644 . 0 0 "[ . 1 . 2]" 1
181 1 64 CYS QB 1 66 CYS H 3.290 . 3.290 2.973 2.778 3.191 . 0 0 "[ . 1 . 2]" 1
182 1 48 CYS QB 1 66 CYS H 5.240 . 5.240 2.996 2.765 3.274 . 0 0 "[ . 1 . 2]" 1
183 1 66 CYS H 1 67 LYS QB 5.070 . 5.070 4.533 4.254 4.758 . 0 0 "[ . 1 . 2]" 1
184 1 66 CYS H 1 67 LYS QG . . 4.070 3.431 3.276 3.663 . 0 0 "[ . 1 . 2]" 1
185 1 66 CYS H 1 67 LYS H 3.040 . 3.040 2.730 2.360 2.888 . 0 0 "[ . 1 . 2]" 1
186 1 48 CYS HA 1 66 CYS H 5.380 . 5.380 5.168 4.722 5.449 0.069 6 0 "[ . 1 . 2]" 1
187 1 61 GLY H 1 62 SER H 4.870 . 4.870 3.981 2.577 4.610 . 0 0 "[ . 1 . 2]" 1
188 1 55 PRO HA 1 58 CYS H 3.680 . 3.680 3.534 3.118 3.818 0.138 2 0 "[ . 1 . 2]" 1
189 1 52 CYS QB 1 58 CYS H 5.180 . 5.180 3.285 2.820 3.718 . 0 0 "[ . 1 . 2]" 1
190 1 39 CYS QB 1 58 CYS H 5.500 . 5.500 4.179 3.959 4.696 . 0 0 "[ . 1 . 2]" 1
191 1 37 LYS QG 1 58 CYS H 5.500 . 5.500 4.813 4.257 5.434 . 0 0 "[ . 1 . 2]" 1
192 1 58 CYS H 1 59 LYS H 4.690 . 4.690 4.468 4.283 4.593 . 0 0 "[ . 1 . 2]" 1
193 1 47 LYS HA 1 49 GLY H 4.540 . 4.540 4.444 4.113 4.625 0.085 8 0 "[ . 1 . 2]" 1
194 1 48 CYS QB 1 49 GLY H 4.870 . 4.870 3.477 3.385 3.662 . 0 0 "[ . 1 . 2]" 1
195 1 47 LYS HB2 1 49 GLY H 4.910 . 4.910 4.079 3.957 4.192 . 0 0 "[ . 1 . 2]" 1
196 1 49 GLY H 1 50 LYS QG 5.500 . 5.500 4.143 3.795 4.502 . 0 0 "[ . 1 . 2]" 1
197 1 49 GLY H 1 50 LYS H 3.120 . 3.120 2.106 1.986 2.240 . 0 0 "[ . 1 . 2]" 1
198 1 47 LYS H 1 49 GLY H 4.350 . 4.350 3.614 2.974 3.883 . 0 0 "[ . 1 . 2]" 1
199 1 48 CYS H 1 49 GLY H 2.810 . 2.810 2.284 1.914 2.544 . 0 0 "[ . 1 . 2]" 1
200 1 49 GLY H 1 51 GLU H 5.270 . 5.270 3.227 2.970 3.497 . 0 0 "[ . 1 . 2]" 1
201 1 52 CYS H 1 58 CYS HA 5.400 . 5.400 5.221 4.753 5.465 0.065 19 0 "[ . 1 . 2]" 1
202 1 51 GLU HA 1 52 CYS H 3.190 . 3.190 2.825 2.419 3.072 . 0 0 "[ . 1 . 2]" 1
203 1 52 CYS H 1 52 CYS QB 3.700 . 3.700 2.882 2.726 3.152 . 0 0 "[ . 1 . 2]" 1
204 1 51 GLU QB 1 52 CYS H 5.500 . 5.500 3.605 3.511 3.735 . 0 0 "[ . 1 . 2]" 1
205 1 52 CYS H 1 53 THR MG 5.170 . 5.170 4.237 3.878 4.553 . 0 0 "[ . 1 . 2]" 1
206 1 51 GLU H 1 52 CYS H 3.490 . 3.490 2.650 2.515 2.852 . 0 0 "[ . 1 . 2]" 1
207 1 62 SER HA 1 64 CYS H 4.100 . 4.100 3.700 2.913 4.187 0.087 9 0 "[ . 1 . 2]" 1
208 1 64 CYS H 1 64 CYS QB 2.810 . 2.810 2.467 2.255 2.670 . 0 0 "[ . 1 . 2]" 1
209 1 64 CYS H 1 67 LYS QB 4.290 . 4.290 2.763 2.084 3.429 . 0 0 "[ . 1 . 2]" 1
210 1 64 CYS H 1 67 LYS QG 3.560 . 3.560 2.422 1.925 3.048 . 0 0 "[ . 1 . 2]" 1
211 1 64 CYS H 1 67 LYS H 4.800 . 4.800 4.287 3.782 4.803 0.003 13 0 "[ . 1 . 2]" 1
212 1 64 CYS H 1 65 SER H 4.770 . 4.770 4.471 4.368 4.588 . 0 0 "[ . 1 . 2]" 1
213 1 63 SER H 1 64 CYS H 3.880 . 3.880 2.961 2.224 3.869 . 0 0 "[ . 1 . 2]" 1
214 1 50 LYS HA 1 51 GLU H 3.530 . 3.530 3.209 3.079 3.294 . 0 0 "[ . 1 . 2]" 1
215 1 51 GLU H 1 51 GLU HA 2.910 . 2.910 2.255 2.224 2.276 . 0 0 "[ . 1 . 2]" 1
216 1 50 LYS QG 1 51 GLU H 4.900 . 4.900 4.432 4.258 4.629 . 0 0 "[ . 1 . 2]" 1
217 1 50 LYS H 1 51 GLU H 3.570 . 3.570 2.373 2.168 2.549 . 0 0 "[ . 1 . 2]" 1
218 1 48 CYS H 1 51 GLU H 5.500 . 5.500 4.959 4.636 5.512 0.012 2 0 "[ . 1 . 2]" 1
219 1 41 CYS HA 1 42 THR H 2.760 . 2.760 2.224 2.148 2.351 . 0 0 "[ . 1 . 2]" 1
220 1 42 THR H 1 53 THR HA 4.080 . 4.080 3.977 3.581 4.247 0.167 10 0 "[ . 1 . 2]" 1
221 1 41 CYS QB 1 42 THR H 3.130 . 3.130 2.867 2.405 3.075 . 0 0 "[ . 1 . 2]" 1
222 1 42 THR H 1 42 THR MG 3.310 . 3.310 2.807 2.502 2.999 . 0 0 "[ . 1 . 2]" 1
223 1 42 THR H 1 53 THR MG 4.910 . 4.910 4.289 4.086 4.660 . 0 0 "[ . 1 . 2]" 1
224 1 42 THR H 1 47 LYS H 5.500 . 5.500 4.827 3.974 5.353 . 0 0 "[ . 1 . 2]" 1
225 1 41 CYS QB 1 47 LYS H . . 3.740 2.735 2.394 3.055 . 0 0 "[ . 1 . 2]" 1
226 1 47 LYS H 1 47 LYS HB2 3.190 . 3.190 2.643 2.487 2.806 . 0 0 "[ . 1 . 2]" 1
227 1 7 GLY H 1 10 CYS QB 4.850 . 4.850 3.647 2.463 4.748 . 0 0 "[ . 1 . 2]" 1
228 1 64 CYS HA 1 65 SER H 2.730 . 2.730 2.449 2.324 2.535 . 0 0 "[ . 1 . 2]" 1
229 1 48 CYS QB 1 65 SER H 4.240 . 4.240 3.720 3.400 4.094 . 0 0 "[ . 1 . 2]" 1
230 1 64 CYS QB 1 65 SER H . . 3.990 3.163 3.042 3.286 . 0 0 "[ . 1 . 2]" 1
231 1 65 SER H 1 66 CYS H 3.170 . 3.170 2.626 2.514 2.712 . 0 0 "[ . 1 . 2]" 1
232 1 65 SER H 1 67 LYS H 4.660 . 4.660 4.246 3.993 4.392 . 0 0 "[ . 1 . 2]" 1
233 1 65 SER H 1 66 CYS HA 5.330 . 5.330 5.236 5.135 5.333 0.003 1 0 "[ . 1 . 2]" 1
234 1 11 THR MG 1 27 CYS QB . . 4.590 3.677 3.467 3.972 . 0 0 "[ . 1 . 2]" 1
235 1 10 CYS HA 1 27 CYS QB . . 3.300 3.052 2.839 3.224 . 0 0 "[ . 1 . 2]" 1
236 1 47 LYS H 1 47 LYS QD 5.500 . 5.500 4.346 3.616 4.788 . 0 0 "[ . 1 . 2]" 1
237 1 54 GLY QA 1 56 ASP HB3 5.500 . 5.500 4.002 3.812 4.265 . 0 0 "[ . 1 . 2]" 1
238 1 42 THR HA 1 42 THR HB 2.730 . 2.730 2.506 2.461 2.549 . 0 0 "[ . 1 . 2]" 1
239 1 41 CYS HA 1 42 THR HA 5.140 . 5.140 3.737 3.366 4.023 . 0 0 "[ . 1 . 2]" 1
240 1 42 THR HA 1 53 THR HA 4.750 . 4.750 3.963 3.397 4.475 . 0 0 "[ . 1 . 2]" 1
241 1 42 THR HA 1 42 THR MG 2.910 . 2.910 2.311 2.244 2.383 . 0 0 "[ . 1 . 2]" 1
242 1 42 THR HA 1 53 THR MG 5.500 . 5.500 4.725 4.408 5.426 . 0 0 "[ . 1 . 2]" 1
243 1 42 THR HA 1 43 SER H 3.310 . 3.310 2.585 2.458 2.758 . 0 0 "[ . 1 . 2]" 1
244 1 42 THR HA 1 44 ASP H 5.180 . 5.180 4.074 3.901 4.254 . 0 0 "[ . 1 . 2]" 1
245 1 42 THR HA 1 45 GLY H 5.500 . 5.500 4.952 4.688 5.352 . 0 0 "[ . 1 . 2]" 1
246 1 42 THR HA 1 54 GLY H 5.500 . 5.500 4.461 3.171 5.158 . 0 0 "[ . 1 . 2]" 1
247 1 44 ASP QB 1 45 GLY HA2 5.500 . 5.500 3.866 3.665 3.971 . 0 0 "[ . 1 . 2]" 1
248 1 8 GLU HA 1 9 LYS QB 5.500 . 5.500 5.293 5.153 5.401 . 0 0 "[ . 1 . 2]" 1
249 1 8 GLU HA 1 9 LYS HA 5.090 . 5.090 4.595 4.470 4.749 . 0 0 "[ . 1 . 2]" 1
250 1 38 THR HA 1 55 PRO QG 4.640 . 4.640 3.250 1.923 3.839 . 0 0 "[ . 1 . 2]" 1
251 1 28 GLY QA 1 29 GLU QG 5.500 . 5.500 3.298 2.999 3.757 . 0 0 "[ . 1 . 2]" 1
252 1 39 CYS HA 1 67 LYS QD 4.540 . 4.540 2.751 2.406 3.171 . 0 0 "[ . 1 . 2]" 1
253 1 38 THR MG 1 39 CYS HA 4.630 . 4.630 3.551 3.344 4.046 . 0 0 "[ . 1 . 2]" 1
254 1 39 CYS HA 1 41 CYS H 4.500 . 4.500 3.900 3.714 4.054 . 0 0 "[ . 1 . 2]" 1
255 1 60 CYS HA 1 61 GLY H 2.890 . 2.890 2.269 2.110 2.547 . 0 0 "[ . 1 . 2]" 1
256 1 10 CYS QB 1 15 ARG QG 4.330 . 4.330 2.983 2.436 4.140 . 0 0 "[ . 1 . 2]" 1
257 1 13 ALA MB 1 20 GLN HA 4.600 . 4.600 3.858 3.771 4.052 . 0 0 "[ . 1 . 2]" 1
258 1 13 ALA MB 1 21 CYS HA 3.250 . 3.250 2.651 2.115 3.109 . 0 0 "[ . 1 . 2]" 1
259 1 13 ALA MB 1 14 CYS QB 5.050 . 5.050 3.284 3.173 3.369 . 0 0 "[ . 1 . 2]" 1
260 1 13 ALA MB 1 20 GLN QB . . 3.080 2.022 1.819 2.335 . 0 0 "[ . 1 . 2]" 1
261 1 13 ALA MB 1 14 CYS HA 4.080 . 4.080 3.878 3.839 3.937 . 0 0 "[ . 1 . 2]" 1
262 1 19 CYS HA 1 20 GLN QB 4.960 . 4.960 4.329 4.146 4.412 . 0 0 "[ . 1 . 2]" 1
263 1 19 CYS HA 1 35 ALA MB 4.660 . 4.660 4.472 4.300 4.581 . 0 0 "[ . 1 . 2]" 1
264 1 19 CYS HA 1 20 GLN H 2.580 . 2.580 2.186 2.128 2.316 . 0 0 "[ . 1 . 2]" 1
265 1 16 SER H 1 19 CYS HA 4.720 . 4.720 3.915 3.510 4.345 . 0 0 "[ . 1 . 2]" 1
266 1 14 CYS HA 1 19 CYS HA 3.560 . 3.560 3.118 2.810 3.611 0.051 15 0 "[ . 1 . 2]" 1
267 1 28 GLY QA 1 29 GLU HA 5.500 . 5.500 3.521 2.410 3.887 . 0 0 "[ . 1 . 2]" 1
268 1 27 CYS QB 1 28 GLY QA 5.500 . 5.500 3.924 3.666 4.128 . 0 0 "[ . 1 . 2]" 1
269 1 39 CYS QB 1 67 LYS QD 5.500 . 5.500 3.617 2.705 3.853 . 0 0 "[ . 1 . 2]" 1
270 1 60 CYS QB 1 64 CYS H 5.500 . 5.500 4.541 4.043 5.059 . 0 0 "[ . 1 . 2]" 1
271 1 35 ALA MB 1 36 CYS QB . . 4.480 3.622 3.512 3.725 . 0 0 "[ . 1 . 2]" 1
272 1 19 CYS HB2 1 35 ALA MB 2.960 . 2.960 2.535 2.297 2.643 . 0 0 "[ . 1 . 2]" 1
273 1 19 CYS HB3 1 35 ALA MB 2.930 . 2.930 2.315 2.167 2.539 . 0 0 "[ . 1 . 2]" 1
274 1 27 CYS HA 1 28 GLY QA 4.780 . 4.780 3.851 3.801 3.931 . 0 0 "[ . 1 . 2]" 1
275 1 9 LYS QB 1 27 CYS HA 4.610 . 4.610 3.575 2.850 3.907 . 0 0 "[ . 1 . 2]" 1
276 1 11 THR MG 1 27 CYS HA 3.230 . 3.230 2.839 2.561 3.083 . 0 0 "[ . 1 . 2]" 1
277 1 9 LYS QG 1 28 GLY QA 5.090 . 5.090 3.196 1.994 3.691 . 0 0 "[ . 1 . 2]" 1
278 1 8 GLU QG 1 9 LYS QG 5.500 . 5.500 3.422 2.018 4.446 . 0 0 "[ . 1 . 2]" 1
279 1 21 CYS QB 1 25 CYS HA 2.920 . 2.920 2.546 2.220 2.796 . 0 0 "[ . 1 . 2]" 1
280 1 25 CYS HA 1 26 GLN HB3 5.500 . 5.500 4.943 4.412 5.120 . 0 0 "[ . 1 . 2]" 1
281 1 25 CYS HA 1 26 GLN HB2 4.390 . 4.390 4.296 4.093 4.422 0.032 18 0 "[ . 1 . 2]" 1
282 1 25 CYS HA 1 26 GLN H 2.740 . 2.740 2.150 2.046 2.244 . 0 0 "[ . 1 . 2]" 1
283 1 31 CYS HA 1 32 THR MG 4.230 . 4.230 3.714 3.535 3.953 . 0 0 "[ . 1 . 2]" 1
284 1 7 GLY QA 1 31 CYS HA 5.310 . 5.310 3.727 2.224 4.011 . 0 0 "[ . 1 . 2]" 1
285 1 31 CYS HA 1 32 THR H 3.550 . 3.550 2.186 2.103 2.342 . 0 0 "[ . 1 . 2]" 1
286 1 52 CYS QB 1 53 THR HA 5.270 . 5.270 3.607 3.491 3.841 . 0 0 "[ . 1 . 2]" 1
287 1 40 ASN H 1 66 CYS QB 4.920 . 4.920 2.280 2.026 2.512 . 0 0 "[ . 1 . 2]" 1
288 1 13 ALA HA 1 20 GLN QB 3.020 . 3.020 2.360 2.042 2.653 . 0 0 "[ . 1 . 2]" 1
289 1 13 ALA HA 1 20 GLN H 4.740 . 4.740 3.781 3.558 4.080 . 0 0 "[ . 1 . 2]" 1
290 1 13 ALA HA 1 15 ARG H 5.500 . 5.500 4.045 3.663 4.339 . 0 0 "[ . 1 . 2]" 1
291 1 13 ALA HA 1 16 SER H 4.430 . 4.430 3.759 3.460 4.101 . 0 0 "[ . 1 . 2]" 1
292 1 13 ALA HA 1 14 CYS HA 5.010 . 5.010 4.747 4.712 4.794 . 0 0 "[ . 1 . 2]" 1
293 1 63 SER HA 1 64 CYS QB 5.500 . 5.500 4.730 4.341 4.991 . 0 0 "[ . 1 . 2]" 1
294 1 23 SER HA 1 24 LYS QB 5.500 . 5.500 4.077 3.739 4.639 . 0 0 "[ . 1 . 2]" 1
295 1 52 CYS QB 1 58 CYS QB 4.750 . 4.750 2.756 2.385 3.060 . 0 0 "[ . 1 . 2]" 1
296 1 6 LYS H 1 10 CYS QB 5.500 . 5.500 5.035 4.291 5.428 . 0 0 "[ . 1 . 2]" 1
297 1 18 PRO HA 1 19 CYS HB2 4.730 . 4.730 4.553 4.325 4.734 0.004 5 0 "[ . 1 . 2]" 1
298 1 18 PRO HA 1 19 CYS HB3 5.500 . 5.500 5.136 4.962 5.322 . 0 0 "[ . 1 . 2]" 1
299 1 17 GLU HB2 1 18 PRO HA 3.520 . 3.520 3.065 2.720 3.487 . 0 0 "[ . 1 . 2]" 1
300 1 18 PRO HA 1 19 CYS H 2.810 . 2.810 2.464 2.316 2.621 . 0 0 "[ . 1 . 2]" 1
301 1 52 CYS QB 1 54 GLY H . . 3.860 3.260 2.791 3.804 . 0 0 "[ . 1 . 2]" 1
302 1 34 ALA MB 1 35 ALA H 3.730 . 3.730 3.242 3.068 3.415 . 0 0 "[ . 1 . 2]" 1
303 1 39 CYS QB 1 54 GLY HA3 5.090 . 5.090 2.671 2.064 3.039 . 0 0 "[ . 1 . 2]" 1
304 1 54 GLY HA2 1 55 PRO HG3 5.500 . 5.500 3.760 3.732 3.797 . 0 0 "[ . 1 . 2]" 1
305 1 39 CYS HB2 1 54 GLY HA2 4.020 . 4.020 3.624 3.176 3.877 . 0 0 "[ . 1 . 2]" 1
306 1 21 CYS QB 1 36 CYS HA 4.640 . 4.640 3.660 3.153 3.997 . 0 0 "[ . 1 . 2]" 1
307 1 11 THR HA 1 26 GLN HB3 5.500 . 5.500 5.476 4.329 5.737 0.237 4 0 "[ . 1 . 2]" 1
308 1 65 SER HA 1 67 LYS QB 5.500 . 5.500 4.898 4.602 5.338 . 0 0 "[ . 1 . 2]" 1
309 1 11 THR HA 1 26 GLN HB2 5.500 . 5.500 4.664 4.290 5.683 0.183 5 0 "[ . 1 . 2]" 1
310 1 11 THR HA 1 11 THR MG 2.800 . 2.800 2.386 2.345 2.443 . 0 0 "[ . 1 . 2]" 1
311 1 65 SER HA 1 66 CYS HA 4.730 . 4.730 4.652 4.570 4.716 . 0 0 "[ . 1 . 2]" 1
312 1 16 SER HA 1 20 GLN QG 5.440 . 5.440 4.651 4.409 4.801 . 0 0 "[ . 1 . 2]" 1
313 1 16 SER HA 1 17 GLU HG2 4.560 . 4.560 3.773 3.446 4.740 0.180 3 0 "[ . 1 . 2]" 1
314 1 16 SER HA 1 17 GLU HB3 4.690 . 4.690 4.512 4.395 4.717 0.027 3 0 "[ . 1 . 2]" 1
315 1 15 ARG QB 1 16 SER HA 5.310 . 5.310 4.135 3.872 4.293 . 0 0 "[ . 1 . 2]" 1
316 1 11 THR MG 1 12 SER QB 5.500 . 5.500 3.870 3.728 3.970 . 0 0 "[ . 1 . 2]" 1
317 1 37 LYS HA 1 38 THR MG 5.400 . 5.400 3.903 3.635 5.178 . 0 0 "[ . 1 . 2]" 1
318 1 36 CYS HA 1 37 LYS HA 5.150 . 5.150 4.704 4.570 4.935 . 0 0 "[ . 1 . 2]" 1
319 1 13 ALA MB 1 20 GLN QG 4.950 . 4.950 3.690 3.484 4.007 . 0 0 "[ . 1 . 2]" 1
320 1 62 SER QB 1 67 LYS QG 5.500 . 5.500 4.045 3.671 4.435 . 0 0 "[ . 1 . 2]" 1
321 1 36 CYS HA 1 36 CYS QB . . 2.730 2.164 2.151 2.179 . 0 0 "[ . 1 . 2]" 1
322 1 35 ALA MB 1 36 CYS HA 4.310 . 4.310 3.983 3.805 4.196 . 0 0 "[ . 1 . 2]" 1
323 1 21 CYS QB 1 36 CYS QB 3.470 . 3.470 1.900 1.691 2.100 . 0 0 "[ . 1 . 2]" 1
324 1 33 CYS QB 1 36 CYS QB 5.500 . 5.500 4.484 4.069 5.855 0.355 11 0 "[ . 1 . 2]" 1
325 1 21 CYS H 1 36 CYS QB 5.090 . 5.090 3.957 3.436 4.105 . 0 0 "[ . 1 . 2]" 1
326 1 40 ASN QB 1 42 THR MG 5.500 . 5.500 4.745 4.566 4.970 . 0 0 "[ . 1 . 2]" 1
327 1 39 CYS HA 1 40 ASN QB 5.500 . 5.500 3.823 3.641 4.035 . 0 0 "[ . 1 . 2]" 1
328 1 40 ASN QB 1 41 CYS H 5.040 . 5.040 3.193 3.034 3.338 . 0 0 "[ . 1 . 2]" 1
329 1 62 SER HA 1 67 LYS QB 4.400 . 4.400 3.140 2.116 3.785 . 0 0 "[ . 1 . 2]" 1
330 1 6 LYS QB 1 10 CYS QB 5.360 . 5.360 3.175 2.534 3.844 . 0 0 "[ . 1 . 2]" 1
331 1 67 LYS HA 1 67 LYS QD . . 2.850 2.058 1.834 2.198 . 0 0 "[ . 1 . 2]" 1
332 1 39 CYS QB 1 67 LYS QD 5.500 . 5.500 3.297 2.661 3.527 . 0 0 "[ . 1 . 2]" 1
333 1 64 CYS QB 1 67 LYS QD 5.500 . 5.500 3.847 3.468 4.132 . 0 0 "[ . 1 . 2]" 1
334 1 67 LYS H 1 67 LYS QD . . 4.590 3.683 3.261 4.052 . 0 0 "[ . 1 . 2]" 1
335 1 41 CYS QB 1 47 LYS QG 5.500 . 5.500 3.665 2.828 4.645 . 0 0 "[ . 1 . 2]" 1
336 1 41 CYS QB 1 42 THR MG 5.310 . 5.310 4.559 4.381 4.728 . 0 0 "[ . 1 . 2]" 1
337 1 41 CYS QB 1 53 THR HA . . 3.120 2.644 2.539 2.725 . 0 0 "[ . 1 . 2]" 1
338 1 41 CYS QB 1 54 GLY H . . 3.760 2.904 2.575 3.260 . 0 0 "[ . 1 . 2]" 1
339 1 48 CYS QB 1 66 CYS QB . . 3.130 1.896 1.770 2.240 . 0 0 "[ . 1 . 2]" 1
340 1 40 ASN H 1 66 CYS QB 3.440 . 3.440 2.402 2.059 2.841 . 0 0 "[ . 1 . 2]" 1
341 1 66 CYS QB 1 67 LYS H 4.800 . 4.800 3.993 3.843 4.044 . 0 0 "[ . 1 . 2]" 1
342 1 16 SER HB2 1 20 GLN HE21 5.500 . 5.500 4.156 3.390 5.075 . 0 0 "[ . 1 . 2]" 1
343 1 43 SER H 1 43 SER HB3 3.680 . 3.680 3.344 2.589 3.588 . 0 0 "[ . 1 . 2]" 1
344 1 44 ASP QB 1 45 GLY QA 5.500 . 5.500 3.589 3.432 3.738 . 0 0 "[ . 1 . 2]" 1
345 1 30 GLY QA 1 32 THR HB 5.470 . 5.470 4.067 3.980 4.118 . 0 0 "[ . 1 . 2]" 1
346 1 39 CYS HB2 1 58 CYS HB2 5.420 . 5.420 2.703 2.349 3.029 . 0 0 "[ . 1 . 2]" 1
347 1 46 CYS HA 1 53 THR MG 3.800 . 3.800 3.237 3.040 3.493 . 0 0 "[ . 1 . 2]" 1
348 1 53 THR HA 1 53 THR MG 2.720 . 2.720 2.310 2.265 2.356 . 0 0 "[ . 1 . 2]" 1
349 1 53 THR MG 1 54 GLY QA 5.500 . 5.500 5.065 5.030 5.102 . 0 0 "[ . 1 . 2]" 1
350 1 41 CYS QB 1 53 THR MG 4.320 . 4.320 3.520 3.272 3.789 . 0 0 "[ . 1 . 2]" 1
351 1 31 CYS QB 1 32 THR MG 5.500 . 5.500 5.029 4.809 5.253 . 0 0 "[ . 1 . 2]" 1
352 1 28 GLY QA 1 31 CYS QB 5.500 . 5.500 3.854 3.674 4.024 . 0 0 "[ . 1 . 2]" 1
353 1 40 ASN H 1 41 CYS QB 5.500 . 5.500 4.253 4.016 4.395 . 0 0 "[ . 1 . 2]" 1
354 1 31 CYS QB 1 32 THR H 5.300 . 5.300 3.632 3.385 3.876 . 0 0 "[ . 1 . 2]" 1
355 1 55 PRO QB 1 56 ASP HA 4.640 . 4.640 3.673 3.586 3.734 . 0 0 "[ . 1 . 2]" 1
356 1 56 ASP HA 1 58 CYS H 4.910 . 4.910 3.931 3.607 4.644 . 0 0 "[ . 1 . 2]" 1
357 1 6 LYS QG 1 33 CYS HB3 5.500 . 5.500 3.346 2.377 3.547 . 0 0 "[ . 1 . 2]" 1
358 1 28 GLY QA 1 29 GLU QB 5.490 . 5.490 4.159 3.922 4.318 . 0 0 "[ . 1 . 2]" 1
359 1 8 GLU QG 1 9 LYS HG2 5.500 . 5.500 3.644 2.028 5.226 . 0 0 "[ . 1 . 2]" 1
360 1 10 CYS HA 1 27 CYS HA 3.170 . 3.170 2.712 2.428 3.117 . 0 0 "[ . 1 . 2]" 1
361 1 10 CYS HA 1 10 CYS QB 2.780 . 2.780 2.386 2.303 2.469 . 0 0 "[ . 1 . 2]" 1
362 1 9 LYS QB 1 10 CYS HA . . 4.970 4.039 3.844 4.246 . 0 0 "[ . 1 . 2]" 1
363 1 10 CYS HA 1 28 GLY H 3.830 . 3.830 3.657 3.412 3.890 0.060 7 0 "[ . 1 . 2]" 1
364 1 13 ALA MB 1 21 CYS QB 5.500 . 5.500 3.567 3.369 3.756 . 0 0 "[ . 1 . 2]" 1
365 1 21 CYS QB 1 25 CYS QB 3.030 . 3.030 1.973 1.834 2.270 . 0 0 "[ . 1 . 2]" 1
366 1 41 CYS HA 1 46 CYS HA 4.460 . 4.460 4.121 3.827 4.359 . 0 0 "[ . 1 . 2]" 1
367 1 46 CYS HA 1 53 THR HA 3.680 . 3.680 3.684 3.193 3.928 0.248 19 0 "[ . 1 . 2]" 1
368 1 41 CYS QB 1 46 CYS HA 3.040 . 3.040 2.059 1.935 2.195 . 0 0 "[ . 1 . 2]" 1
369 1 46 CYS HA 1 47 LYS HB2 4.950 . 4.950 4.511 3.836 4.684 . 0 0 "[ . 1 . 2]" 1
370 1 46 CYS HA 1 47 LYS H 2.660 . 2.660 2.249 2.173 2.447 . 0 0 "[ . 1 . 2]" 1
371 1 46 CYS HA 1 48 CYS H 4.580 . 4.580 3.894 3.636 4.303 . 0 0 "[ . 1 . 2]" 1
372 1 41 CYS H 1 46 CYS HA 5.500 . 5.500 5.539 5.378 5.654 0.154 1 0 "[ . 1 . 2]" 1
373 1 50 LYS H 1 50 LYS QB . . 2.910 2.439 2.359 2.538 . 0 0 "[ . 1 . 2]" 1
374 1 19 CYS HB3 1 21 CYS H 5.070 . 5.070 3.575 3.315 3.732 . 0 0 "[ . 1 . 2]" 1
375 1 19 CYS HB3 1 20 GLN H 4.770 . 4.770 3.922 3.557 4.119 . 0 0 "[ . 1 . 2]" 1
376 1 52 CYS HA 1 58 CYS HA 4.080 . 4.080 3.920 3.498 4.164 0.084 19 0 "[ . 1 . 2]" 1
377 1 52 CYS HA 1 53 THR MG 4.980 . 4.980 3.658 3.548 3.832 . 0 0 "[ . 1 . 2]" 1
378 1 52 CYS HA 1 54 GLY H 5.500 . 5.500 4.614 4.026 5.237 . 0 0 "[ . 1 . 2]" 1
379 1 36 CYS QB 1 37 LYS HA 5.450 . 5.450 4.339 4.144 4.511 . 0 0 "[ . 1 . 2]" 1
380 1 25 CYS HA 1 36 CYS QB 5.090 . 5.090 4.297 3.707 4.698 . 0 0 "[ . 1 . 2]" 1
381 1 67 LYS HA 1 67 LYS QG 3.830 . 3.830 3.004 2.809 3.168 . 0 0 "[ . 1 . 2]" 1
382 1 62 SER HA 1 67 LYS QG . . 2.710 2.291 1.952 2.698 . 0 0 "[ . 1 . 2]" 1
383 1 64 CYS QB 1 67 LYS QG . . 3.570 2.059 1.895 2.267 . 0 0 "[ . 1 . 2]" 1
384 1 48 CYS HA 1 66 CYS QB 4.730 . 4.730 4.174 4.048 4.368 . 0 0 "[ . 1 . 2]" 1
385 1 47 LYS HB3 1 48 CYS HA 5.500 . 5.500 4.489 3.839 4.881 . 0 0 "[ . 1 . 2]" 1
386 1 47 LYS HB2 1 48 CYS HA 5.360 . 5.360 4.531 4.173 5.328 . 0 0 "[ . 1 . 2]" 1
387 1 17 GLU HA 1 17 GLU HG3 3.920 . 3.920 3.772 3.470 3.868 . 0 0 "[ . 1 . 2]" 1
388 1 16 SER HA 1 17 GLU HG3 5.500 . 5.500 4.953 3.047 5.377 . 0 0 "[ . 1 . 2]" 1
389 1 17 GLU HG3 1 18 PRO QD 5.500 . 5.500 4.396 4.100 5.614 0.114 3 0 "[ . 1 . 2]" 1
390 1 17 GLU H 1 17 GLU HG3 4.390 . 4.390 2.960 2.078 3.254 . 0 0 "[ . 1 . 2]" 1
391 1 47 LYS H 1 47 LYS HB3 4.120 . 4.120 3.735 3.047 3.876 . 0 0 "[ . 1 . 2]" 1
392 1 47 LYS HB3 1 48 CYS H 5.080 . 5.080 3.990 2.472 4.409 . 0 0 "[ . 1 . 2]" 1
393 1 11 THR MG 1 14 CYS QB 4.680 . 4.680 3.306 3.210 3.490 . 0 0 "[ . 1 . 2]" 1
394 1 10 CYS HA 1 14 CYS QB 5.500 . 5.500 3.663 3.384 3.887 . 0 0 "[ . 1 . 2]" 1
395 1 14 CYS QB 1 27 CYS QB 5.500 . 5.500 4.262 4.052 4.450 . 0 0 "[ . 1 . 2]" 1
396 1 14 CYS H 1 15 ARG QG 5.500 . 5.500 3.676 3.379 3.939 . 0 0 "[ . 1 . 2]" 1
397 1 7 GLY QA 1 8 GLU QB 5.370 . 5.370 3.630 3.350 3.877 . 0 0 "[ . 1 . 2]" 1
398 1 38 THR HA 1 38 THR HB 2.940 . 2.940 2.523 2.442 2.971 0.031 8 0 "[ . 1 . 2]" 1
399 1 31 CYS HA 1 32 THR HA 4.460 . 4.460 4.377 4.305 4.450 . 0 0 "[ . 1 . 2]" 1
400 1 38 THR HA 1 55 PRO QB 4.100 . 4.100 2.419 1.862 2.951 . 0 0 "[ . 1 . 2]" 1
401 1 62 SER HA 1 67 LYS QD 3.990 . 3.990 3.099 2.274 3.788 . 0 0 "[ . 1 . 2]" 1
402 1 12 SER HA 1 15 ARG H 3.960 . 3.960 3.368 3.174 3.666 . 0 0 "[ . 1 . 2]" 1
403 1 12 SER HA 1 14 CYS H 5.500 . 5.500 4.082 3.825 4.258 . 0 0 "[ . 1 . 2]" 1
404 1 25 CYS HA 1 26 GLN HA 5.240 . 5.240 4.014 3.833 4.178 . 0 0 "[ . 1 . 2]" 1
405 1 11 THR MG 1 26 GLN HA 4.250 . 4.250 3.697 3.584 3.821 . 0 0 "[ . 1 . 2]" 1
406 1 39 CYS H 1 40 ASN HA 5.070 . 5.070 4.528 4.435 4.697 . 0 0 "[ . 1 . 2]" 1
407 1 19 CYS HA 1 20 GLN QG 4.780 . 4.780 3.521 3.387 3.721 . 0 0 "[ . 1 . 2]" 1
408 1 20 GLN QG 1 21 CYS H 5.500 . 5.500 4.545 4.418 4.660 . 0 0 "[ . 1 . 2]" 1
409 1 26 GLN HB3 1 27 CYS HA 5.490 . 5.490 4.696 4.235 4.965 . 0 0 "[ . 1 . 2]" 1
410 1 14 CYS HA 1 19 CYS HB2 5.080 . 5.080 4.007 3.586 4.476 . 0 0 "[ . 1 . 2]" 1
411 1 16 SER HA 1 17 GLU HA 4.640 . 4.640 4.429 4.392 4.477 . 0 0 "[ . 1 . 2]" 1
412 1 17 GLU HA 1 19 CYS HA 4.670 . 4.670 3.771 3.364 4.306 . 0 0 "[ . 1 . 2]" 1
413 1 17 GLU HA 1 19 CYS HB2 5.460 . 5.460 4.875 4.487 5.367 . 0 0 "[ . 1 . 2]" 1
414 1 17 GLU HA 1 18 PRO HB3 4.280 . 4.280 4.240 4.135 4.322 0.042 14 0 "[ . 1 . 2]" 1
415 1 17 GLU HA 1 17 GLU HG2 4.150 . 4.150 3.748 3.627 4.161 0.011 3 0 "[ . 1 . 2]" 1
416 1 17 GLU HA 1 17 GLU HB3 2.970 . 2.970 2.387 2.275 2.441 . 0 0 "[ . 1 . 2]" 1
417 1 33 CYS QB 1 35 ALA MB 5.500 . 5.500 3.679 3.549 3.802 . 0 0 "[ . 1 . 2]" 1
418 1 6 LYS HA 1 31 CYS HA 5.500 . 5.500 3.874 2.070 5.514 0.014 12 0 "[ . 1 . 2]" 1
419 1 9 LYS HA 1 28 GLY QA 4.630 . 4.630 4.444 3.982 4.702 0.072 13 0 "[ . 1 . 2]" 1
420 1 14 CYS HA 1 19 CYS HB3 4.910 . 4.910 4.682 4.429 4.941 0.031 3 0 "[ . 1 . 2]" 1
421 1 14 CYS HA 1 20 GLN QB 5.090 . 5.090 4.867 4.487 5.054 . 0 0 "[ . 1 . 2]" 1
422 1 14 CYS HA 1 35 ALA MB 5.500 . 5.500 5.043 4.852 5.270 . 0 0 "[ . 1 . 2]" 1
423 1 14 CYS HA 1 21 CYS H 4.320 . 4.320 3.939 3.597 4.223 . 0 0 "[ . 1 . 2]" 1
424 1 47 LYS QG 1 66 CYS QB 5.500 . 5.500 4.097 3.674 4.452 . 0 0 "[ . 1 . 2]" 1
425 1 41 CYS H 1 66 CYS QB . . 3.580 2.671 2.461 3.011 . 0 0 "[ . 1 . 2]" 1
426 1 34 ALA HA 1 36 CYS H 5.480 . 5.480 4.180 3.515 4.841 . 0 0 "[ . 1 . 2]" 1
427 1 39 CYS HB2 1 55 PRO QD 3.200 . 3.200 2.724 2.122 2.962 . 0 0 "[ . 1 . 2]" 1
428 1 39 CYS HB2 1 41 CYS QB 4.890 . 4.890 2.960 2.575 3.328 . 0 0 "[ . 1 . 2]" 1
429 1 41 CYS H 1 53 THR HA 5.500 . 5.500 5.126 4.884 5.438 . 0 0 "[ . 1 . 2]" 1
430 1 45 GLY H 1 53 THR HA 5.500 . 5.500 4.681 4.276 5.087 . 0 0 "[ . 1 . 2]" 1
431 1 60 CYS QB 1 64 CYS QB 4.330 . 4.330 2.326 2.097 2.628 . 0 0 "[ . 1 . 2]" 1
432 1 62 SER HA 1 64 CYS QB 5.370 . 5.370 3.998 3.523 4.234 . 0 0 "[ . 1 . 2]" 1
433 1 61 GLY QA 1 64 CYS QB 5.500 . 5.500 3.996 3.348 4.492 . 0 0 "[ . 1 . 2]" 1
434 1 41 CYS QB 1 46 CYS QB 4.540 . 4.540 3.777 3.430 4.089 . 0 0 "[ . 1 . 2]" 1
435 1 6 LYS QG 1 15 ARG HA 3.420 . 3.420 2.514 2.249 3.017 . 0 0 "[ . 1 . 2]" 1
436 1 38 THR MG 1 39 CYS HB3 5.500 . 5.500 5.083 4.460 5.411 . 0 0 "[ . 1 . 2]" 1
437 1 39 CYS QB 1 55 PRO QD 3.900 . 3.900 1.924 1.834 2.116 . 0 0 "[ . 1 . 2]" 1
438 1 33 CYS H 1 37 LYS QB 4.640 . 4.640 3.197 2.919 3.329 . 0 0 "[ . 1 . 2]" 1
439 1 11 THR HB 1 13 ALA H 3.900 . 3.900 2.547 2.306 2.757 . 0 0 "[ . 1 . 2]" 1
440 1 19 CYS HB2 1 35 ALA HA 5.390 . 5.390 5.386 4.868 5.557 0.167 9 0 "[ . 1 . 2]" 1
441 1 19 CYS HB3 1 35 ALA HA 5.480 . 5.480 4.899 4.689 5.181 . 0 0 "[ . 1 . 2]" 1
442 1 35 ALA HA 1 37 LYS H 4.880 . 4.880 4.670 4.233 4.976 0.096 14 0 "[ . 1 . 2]" 1
443 1 35 ALA HA 1 36 CYS HA 4.950 . 4.950 4.530 4.450 4.618 . 0 0 "[ . 1 . 2]" 1
444 1 9 LYS QB 1 29 GLU H . . 4.150 3.657 2.231 4.199 0.049 9 0 "[ . 1 . 2]" 1
445 1 20 GLN HA 1 22 GLY HA2 5.500 . 5.500 3.946 3.877 4.076 . 0 0 "[ . 1 . 2]" 1
446 1 33 CYS HA 1 34 ALA MB 4.840 . 4.840 3.759 3.731 3.793 . 0 0 "[ . 1 . 2]" 1
447 1 33 CYS HA 1 34 ALA H 2.780 . 2.780 2.210 2.112 3.055 0.275 11 0 "[ . 1 . 2]" 1
448 1 33 CYS HA 1 35 ALA H 4.580 . 4.580 3.585 3.399 4.152 . 0 0 "[ . 1 . 2]" 1
449 1 10 CYS HA 1 11 THR MG 3.720 . 3.720 3.260 3.071 3.395 . 0 0 "[ . 1 . 2]" 1
450 1 11 THR MG 1 12 SER HA 5.500 . 5.500 5.173 4.863 5.415 . 0 0 "[ . 1 . 2]" 1
451 1 10 CYS QB 1 11 THR MG 5.360 . 5.360 3.440 3.262 3.702 . 0 0 "[ . 1 . 2]" 1
452 1 11 THR MG 1 26 GLN HB3 3.100 . 3.100 2.936 1.884 3.181 0.081 14 0 "[ . 1 . 2]" 1
453 1 9 LYS QB 1 11 THR MG 5.500 . 5.500 5.294 4.715 5.513 0.013 17 0 "[ . 1 . 2]" 1
454 1 11 THR MG 1 26 GLN HB2 2.930 . 2.930 1.991 1.764 2.829 . 0 0 "[ . 1 . 2]" 1
455 1 11 THR MG 1 26 GLN H 3.610 . 3.610 1.845 1.635 2.160 . 0 0 "[ . 1 . 2]" 1
456 1 11 THR MG 1 13 ALA H 4.980 . 4.980 3.995 3.833 4.124 . 0 0 "[ . 1 . 2]" 1
457 1 4 LYS QG 1 5 GLY QA 5.500 . 5.500 3.811 2.840 4.805 . 0 0 "[ . 1 . 2]" 1
458 1 7 GLY QA 1 10 CYS QB 5.500 . 5.500 3.293 2.061 4.074 . 0 0 "[ . 1 . 2]" 1
459 1 9 LYS QB 1 30 GLY QA 5.380 . 5.380 3.803 2.373 5.521 0.141 12 0 "[ . 1 . 2]" 1
460 1 38 THR H 1 38 THR MG 3.290 . 3.290 2.110 1.856 2.576 . 0 0 "[ . 1 . 2]" 1
461 1 46 CYS HA 1 51 GLU HA 5.500 . 5.500 4.441 4.238 4.634 . 0 0 "[ . 1 . 2]" 1
462 1 39 CYS QB 1 55 PRO QD . . 3.380 1.965 1.857 2.188 . 0 0 "[ . 1 . 2]" 1
463 1 54 GLY QA 1 55 PRO QD 2.940 . 2.940 2.042 1.957 2.090 . 0 0 "[ . 1 . 2]" 1
464 1 54 GLY H 1 55 PRO QD 5.120 . 5.120 4.153 3.994 4.313 . 0 0 "[ . 1 . 2]" 1
465 1 41 CYS QB 1 53 THR HB 5.100 . 5.100 4.691 4.620 4.742 . 0 0 "[ . 1 . 2]" 1
466 1 42 THR HB 1 53 THR HB 5.500 . 5.500 4.817 4.581 5.151 . 0 0 "[ . 1 . 2]" 1
467 1 43 SER H 1 53 THR HB 4.920 . 4.920 3.907 3.277 4.695 . 0 0 "[ . 1 . 2]" 1
468 1 45 GLY H 1 53 THR HB 5.300 . 5.300 4.291 3.521 4.754 . 0 0 "[ . 1 . 2]" 1
469 1 38 THR HB 1 55 PRO QB 5.500 . 5.500 4.445 3.646 5.015 . 0 0 "[ . 1 . 2]" 1
470 1 32 THR HB 1 33 CYS H 5.500 . 5.500 4.497 4.369 4.660 . 0 0 "[ . 1 . 2]" 1
471 1 43 SER HA 1 53 THR MG 3.900 . 3.900 2.900 2.487 3.521 . 0 0 "[ . 1 . 2]" 1
472 1 43 SER HA 1 44 ASP HA 4.930 . 4.930 4.787 4.639 4.896 . 0 0 "[ . 1 . 2]" 1
473 1 47 LYS HA 1 47 LYS HB3 2.850 . 2.850 2.498 2.400 2.927 0.077 2 0 "[ . 1 . 2]" 1
474 1 60 CYS QB 1 61 GLY QA 5.500 . 5.500 3.693 3.243 3.997 . 0 0 "[ . 1 . 2]" 1
475 1 21 CYS HA 1 25 CYS QB 5.500 . 5.500 3.582 3.248 4.004 . 0 0 "[ . 1 . 2]" 1
476 1 20 GLN QB 1 21 CYS HA 5.150 . 5.150 4.188 4.111 4.306 . 0 0 "[ . 1 . 2]" 1
477 1 20 GLN HA 1 21 CYS HA 4.910 . 4.910 4.681 4.576 4.808 . 0 0 "[ . 1 . 2]" 1
478 1 21 CYS HA 1 25 CYS HA 3.970 . 3.970 3.493 3.150 3.957 . 0 0 "[ . 1 . 2]" 1
479 1 28 GLY QA 1 29 GLU HA 4.630 . 4.630 3.931 3.871 4.007 . 0 0 "[ . 1 . 2]" 1
480 1 29 GLU HA 1 31 CYS QB 5.500 . 5.500 4.391 3.876 5.246 . 0 0 "[ . 1 . 2]" 1
481 1 29 GLU HA 1 31 CYS H 4.510 . 4.510 3.559 2.964 4.428 . 0 0 "[ . 1 . 2]" 1
482 1 66 CYS HA 1 66 CYS QB 2.770 . 2.770 2.179 2.171 2.186 . 0 0 "[ . 1 . 2]" 1
483 1 40 ASN QB 1 66 CYS HA 3.440 . 3.440 2.534 2.087 3.169 . 0 0 "[ . 1 . 2]" 1
484 1 48 CYS QB 1 66 CYS HA 4.690 . 4.690 3.753 3.083 4.344 . 0 0 "[ . 1 . 2]" 1
485 1 40 ASN H 1 66 CYS HA 3.930 . 3.930 3.883 3.646 4.076 0.146 13 0 "[ . 1 . 2]" 1
486 1 41 CYS QB 1 55 PRO QD 5.500 . 5.500 4.197 4.079 4.341 . 0 0 "[ . 1 . 2]" 1
487 1 65 SER H 1 65 SER HB2 3.940 . 3.940 2.608 2.477 3.545 . 0 0 "[ . 1 . 2]" 1
488 1 65 SER HB2 1 66 CYS H 4.650 . 4.650 3.216 2.686 4.166 . 0 0 "[ . 1 . 2]" 1
489 1 18 PRO HB2 1 19 CYS HB2 4.890 . 4.890 4.844 4.483 5.043 0.153 10 0 "[ . 1 . 2]" 1
490 1 18 PRO HB2 1 19 CYS HB3 4.630 . 4.630 4.400 4.179 4.741 0.111 17 0 "[ . 1 . 2]" 1
491 1 47 LYS HB2 1 48 CYS QB 5.500 . 5.500 3.824 3.555 4.131 . 0 0 "[ . 1 . 2]" 1
492 1 47 LYS H 1 48 CYS QB 5.050 . 5.050 3.997 3.755 4.372 . 0 0 "[ . 1 . 2]" 1
493 1 16 SER QB 1 20 GLN HG3 3.910 . 3.910 2.388 2.066 2.594 . 0 0 "[ . 1 . 2]" 1
494 1 16 SER QB 1 20 GLN HE21 5.500 . 5.500 3.694 3.105 4.345 . 0 0 "[ . 1 . 2]" 1
495 1 7 GLY QA 1 10 CYS QB 5.500 . 5.500 3.656 2.066 5.144 . 0 0 "[ . 1 . 2]" 1
496 1 40 ASN H 1 67 LYS HA 4.910 . 4.910 4.294 3.987 4.765 . 0 0 "[ . 1 . 2]" 1
497 1 64 CYS H 1 67 LYS HA 5.500 . 5.500 4.627 4.469 4.803 . 0 0 "[ . 1 . 2]" 1
498 1 66 CYS HA 1 67 LYS HA 4.930 . 4.930 4.502 4.450 4.586 . 0 0 "[ . 1 . 2]" 1
499 1 14 CYS QB 1 15 ARG QB 5.500 . 5.500 4.671 4.535 4.926 . 0 0 "[ . 1 . 2]" 1
500 1 14 CYS QB 1 15 ARG HA 5.410 . 5.410 4.264 4.190 4.346 . 0 0 "[ . 1 . 2]" 1
501 1 41 CYS HA 1 42 THR MG 3.970 . 3.970 3.499 3.311 3.677 . 0 0 "[ . 1 . 2]" 1
502 1 42 THR MG 1 54 GLY QA 5.500 . 5.500 4.265 3.083 5.309 . 0 0 "[ . 1 . 2]" 1
503 1 18 PRO QG 1 19 CYS H 5.410 . 5.410 4.233 3.881 4.419 . 0 0 "[ . 1 . 2]" 1
504 1 52 CYS QB 1 58 CYS HA . . 2.720 2.003 1.782 2.256 . 0 0 "[ . 1 . 2]" 1
505 1 58 CYS HA 1 59 LYS H 2.820 . 2.820 2.163 2.100 2.261 . 0 0 "[ . 1 . 2]" 1
506 1 40 ASN QB 1 48 CYS QB 5.500 . 5.500 4.306 4.175 4.477 . 0 0 "[ . 1 . 2]" 1
507 1 6 LYS HA 1 7 GLY QA 5.500 . 5.500 3.564 3.494 3.727 . 0 0 "[ . 1 . 2]" 1
508 1 39 CYS QB 1 54 GLY HA2 5.500 . 5.500 2.638 2.051 2.989 . 0 0 "[ . 1 . 2]" 1
509 1 54 GLY QA 1 55 PRO HG3 5.450 . 5.450 3.879 3.834 3.950 . 0 0 "[ . 1 . 2]" 1
510 1 5 GLY QA 1 6 LYS HA 4.530 . 4.530 4.021 3.914 4.535 0.005 13 0 "[ . 1 . 2]" 1
511 1 4 LYS QB 1 5 GLY QA 5.340 . 5.340 3.542 3.151 3.879 . 0 0 "[ . 1 . 2]" 1
512 1 6 LYS QG 1 15 ARG HA 5.500 . 5.500 4.422 3.151 5.737 0.237 3 0 "[ . 1 . 2]" 1
513 1 18 PRO QG 1 20 GLN HE21 4.610 . 4.610 3.919 2.663 5.596 0.986 19 1 "[ . 1 . +2]" 1
514 1 18 PRO HB3 1 19 CYS HB2 5.500 . 5.500 4.458 4.178 4.869 . 0 0 "[ . 1 . 2]" 1
515 1 29 GLU QB 1 61 GLY QA 5.500 . 5.500 3.148 2.169 4.492 . 0 0 "[ . 1 . 2]" 1
516 1 33 CYS H 1 34 ALA MB 5.500 . 5.500 4.728 2.815 5.144 . 0 0 "[ . 1 . 2]" 1
517 1 33 CYS HB2 1 37 LYS HB2 5.450 . 5.450 4.733 4.149 5.839 0.389 11 0 "[ . 1 . 2]" 1
518 1 34 ALA HA 1 37 LYS QB 4.910 . 4.910 2.514 1.995 3.448 . 0 0 "[ . 1 . 2]" 1
519 1 35 ALA H 1 37 LYS QB 5.500 . 5.500 4.380 3.888 5.067 . 0 0 "[ . 1 . 2]" 1
520 1 46 CYS QB 1 51 GLU QB 5.500 . 5.500 3.819 3.588 4.241 . 0 0 "[ . 1 . 2]" 1
521 1 48 CYS QB 1 65 SER QB 5.340 . 5.340 2.639 2.033 3.902 . 0 0 "[ . 1 . 2]" 1
522 1 16 SER H 1 17 GLU H 4.800 . 4.800 4.532 4.452 4.630 . 0 0 "[ . 1 . 2]" 1
523 1 18 PRO HB3 1 19 CYS H 3.520 . 3.520 3.118 2.782 3.470 . 0 0 "[ . 1 . 2]" 1
524 1 47 LYS HA 1 48 CYS H 3.450 . 3.450 3.398 3.189 3.548 0.098 2 0 "[ . 1 . 2]" 1
525 1 21 CYS QB 1 25 CYS H 4.210 . 4.210 3.948 3.419 4.267 0.057 6 0 "[ . 1 . 2]" 1
526 1 11 THR MG 1 28 GLY H 4.840 . 4.840 4.734 4.326 4.965 0.125 13 0 "[ . 1 . 2]" 1
527 1 45 GLY H 1 46 CYS H 4.180 . 4.180 3.660 1.939 4.246 0.066 20 0 "[ . 1 . 2]" 1
528 1 48 CYS H 1 50 LYS H 4.030 . 4.030 3.797 3.408 4.035 0.005 1 0 "[ . 1 . 2]" 1
529 1 14 CYS H 1 15 ARG H 3.070 . 3.070 2.504 2.427 2.550 . 0 0 "[ . 1 . 2]" 1
530 1 22 GLY QA 1 25 CYS HB3 5.500 . 5.500 5.422 4.529 6.121 0.621 11 2 "[ - 1+ . 2]" 1
531 1 15 ARG QG 1 16 SER H 5.500 . 5.500 3.962 3.124 4.413 . 0 0 "[ . 1 . 2]" 1
532 1 38 THR HA 1 55 PRO HG2 5.440 . 5.440 3.124 1.920 3.577 . 0 0 "[ . 1 . 2]" 1
533 1 6 LYS QG 1 7 GLY QA 5.500 . 5.500 3.552 2.980 4.443 . 0 0 "[ . 1 . 2]" 1
534 1 52 CYS QB 1 60 CYS H 5.500 . 5.500 4.316 3.781 4.716 . 0 0 "[ . 1 . 2]" 1
535 1 13 ALA HA 1 20 GLN QB 4.750 . 4.750 2.324 2.022 2.614 . 0 0 "[ . 1 . 2]" 1
536 1 32 THR H 1 37 LYS HG3 5.500 . 5.500 3.271 2.622 4.201 . 0 0 "[ . 1 . 2]" 1
537 1 6 LYS QG 1 33 CYS QB 5.500 . 5.500 3.689 2.372 4.006 . 0 0 "[ . 1 . 2]" 1
538 1 59 LYS H 1 60 CYS QB 5.090 . 5.090 4.308 3.988 4.628 . 0 0 "[ . 1 . 2]" 1
539 1 28 GLY QA 1 29 GLU HB2 5.410 . 5.410 4.668 4.486 4.753 . 0 0 "[ . 1 . 2]" 1
540 1 52 CYS HA 1 53 THR H 2.760 . 2.760 2.266 2.185 2.329 . 0 0 "[ . 1 . 2]" 1
541 1 32 THR HA 1 37 LYS HG2 4.970 . 4.970 3.768 3.120 4.222 . 0 0 "[ . 1 . 2]" 1
542 1 14 CYS HA 1 21 CYS HA 5.500 . 5.500 4.638 4.270 4.859 . 0 0 "[ . 1 . 2]" 1
543 1 11 THR MG 1 14 CYS QB . . 4.680 3.660 3.459 4.108 . 0 0 "[ . 1 . 2]" 1
544 1 38 THR MG 1 67 LYS HA 4.370 . 4.370 3.335 2.716 4.497 0.127 8 0 "[ . 1 . 2]" 1
545 1 8 GLU HA 1 8 GLU QB 2.670 . 2.670 2.366 2.164 2.467 . 0 0 "[ . 1 . 2]" 1
546 1 12 SER QB 1 15 ARG H 5.330 . 5.330 4.759 4.566 5.070 . 0 0 "[ . 1 . 2]" 1
547 1 16 SER QB 1 17 GLU H 3.330 . 3.330 2.875 2.330 3.544 0.214 17 0 "[ . 1 . 2]" 1
548 1 6 LYS HA 1 7 GLY H 3.420 . 3.420 2.481 2.099 3.550 0.130 13 0 "[ . 1 . 2]" 1
549 1 7 GLY H 1 31 CYS HA 5.500 . 5.500 4.017 2.962 5.041 . 0 0 "[ . 1 . 2]" 1
550 1 38 THR MG 1 39 CYS QB 5.500 . 5.500 4.098 3.608 4.318 . 0 0 "[ . 1 . 2]" 1
551 1 54 GLY H 1 57 SER H 5.500 . 5.500 4.589 4.035 4.951 . 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 54
_Distance_constraint_stats_list.Viol_count 224
_Distance_constraint_stats_list.Viol_total 1936.543
_Distance_constraint_stats_list.Viol_max 1.688
_Distance_constraint_stats_list.Viol_rms 0.2386
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0897
_Distance_constraint_stats_list.Viol_average_violations_only 0.4323
_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 LYS 1.744 0.622 11 3 "[ . -1+ . *]"
1 5 GLY 7.864 1.165 20 8 "[ * . *- ** ** +]"
1 6 LYS 7.864 1.165 20 8 "[ * . *- ** ** +]"
1 8 GLU 1.843 0.661 13 2 "[ . 1 + . -2]"
1 9 LYS 6.445 1.135 1 3 "[+ . 1 * . -2]"
1 11 THR 1.964 0.149 17 0 "[ . 1 . 2]"
1 12 SER 1.964 0.149 17 0 "[ . 1 . 2]"
1 13 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 CYS 1.828 0.382 20 0 "[ . 1 . 2]"
1 16 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 CYS 5.090 0.604 10 2 "[ . + - 2]"
1 23 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 LYS 3.262 0.604 10 2 "[ . + - 2]"
1 25 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 GLY 9.543 1.688 11 8 "[** . * 1+ ***- 2]"
1 30 GLY 0.013 0.013 1 0 "[ . 1 . 2]"
1 31 CYS 15.461 1.688 11 9 "[** . * 1+ ****-2]"
1 32 THR 16.129 1.516 7 9 "[* *** +* 1 * *- 2]"
1 33 CYS 1.303 1.003 11 1 "[ . 1+ . 2]"
1 34 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 LYS 27.908 1.516 7 14 "[******+* * * *- * *]"
1 38 THR 1.118 0.629 13 1 "[ . 1 + . 2]"
1 39 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 THR 6.072 0.579 6 2 "[ .+ 1 . -]"
1 43 SER 4.846 0.501 20 1 "[ . 1 . +]"
1 44 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 CYS 0.400 0.212 11 0 "[ . 1 . 2]"
1 47 LYS 12.162 0.831 10 9 "[ *. **+- .****2]"
1 48 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 GLY 9.391 0.831 10 9 "[ *. **+- .****2]"
1 51 GLU 0.400 0.212 11 0 "[ . 1 . 2]"
1 52 CYS 11.152 1.019 1 11 "[+** *** *** .- * 2]"
1 53 THR 1.226 0.579 6 1 "[ .+ 1 . 2]"
1 54 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 PRO 15.827 1.434 8 13 "[** ****+ - ** ** *]"
1 56 ASP 4.048 1.024 2 4 "[ + .* 1 *. - 2]"
1 58 CYS 11.152 1.019 1 11 "[+** *** *** .- * 2]"
1 62 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 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 53 THR HB 1 54 GLY H . . 5.330 4.280 4.109 4.399 . 0 0 "[ . 1 . 2]" 2
2 1 44 ASP H 1 53 THR HB . . 5.500 4.646 3.960 5.145 . 0 0 "[ . 1 . 2]" 2
3 1 21 CYS HA 1 24 LYS H . . 4.850 3.243 2.578 4.013 . 0 0 "[ . 1 . 2]" 2
4 1 46 CYS H 1 51 GLU HA . . 5.500 4.847 4.215 5.712 0.212 11 0 "[ . 1 . 2]" 2
5 1 31 CYS H 1 33 CYS H . . 5.500 5.421 5.061 6.503 1.003 11 1 "[ . 1+ . 2]" 2
6 1 11 THR H 1 26 GLN H . . 5.500 4.653 4.250 5.127 . 0 0 "[ . 1 . 2]" 2
7 1 28 GLY H 1 31 CYS HA . . 5.500 5.929 5.003 7.188 1.688 11 8 "[** . * 1+ ***- 2]" 2
8 1 16 SER H 1 20 GLN H . . 4.960 4.033 3.815 4.348 . 0 0 "[ . 1 . 2]" 2
9 1 9 LYS QB 1 31 CYS H . . 5.500 4.825 3.897 6.004 0.504 1 1 "[+ . 1 . 2]" 2
10 1 20 GLN QB 1 21 CYS H . . 4.990 3.647 3.533 3.764 . 0 0 "[ . 1 . 2]" 2
11 1 21 CYS H 1 24 LYS H . . 5.500 5.546 5.058 6.104 0.604 10 2 "[ . + - 2]" 2
12 1 14 CYS H 1 21 CYS H . . 5.500 5.050 4.749 5.448 . 0 0 "[ . 1 . 2]" 2
13 1 34 ALA H 1 36 CYS H . . 5.500 4.569 4.241 4.901 . 0 0 "[ . 1 . 2]" 2
14 1 35 ALA MB 1 37 LYS H . . 4.920 4.307 4.060 4.664 . 0 0 "[ . 1 . 2]" 2
15 1 55 PRO QB 1 56 ASP H . . 4.840 2.973 2.172 3.501 . 0 0 "[ . 1 . 2]" 2
16 1 65 SER HB3 1 66 CYS H . . 4.650 3.808 2.858 4.172 . 0 0 "[ . 1 . 2]" 2
17 1 55 PRO QB 1 58 CYS H . . 5.500 4.767 4.614 5.104 . 0 0 "[ . 1 . 2]" 2
18 1 47 LYS HB2 1 49 GLY H . . 4.910 5.379 4.889 5.741 0.831 10 9 "[ *. **+- .****2]" 2
19 1 42 THR H 1 46 CYS HA . . 4.680 4.165 3.601 4.434 . 0 0 "[ . 1 . 2]" 2
20 1 65 SER H 1 65 SER HB3 . . 3.940 3.310 2.470 3.598 . 0 0 "[ . 1 . 2]" 2
21 1 47 LYS H 1 47 LYS HD3 . . 5.500 4.867 3.729 5.481 . 0 0 "[ . 1 . 2]" 2
22 1 4 LYS HA 1 4 LYS HD3 . . 5.500 4.310 2.014 4.868 . 0 0 "[ . 1 . 2]" 2
23 1 42 THR HA 1 53 THR HB . . 5.140 4.128 3.497 4.793 . 0 0 "[ . 1 . 2]" 2
24 1 42 THR HB 1 43 SER HB3 . . 5.060 5.138 4.073 5.561 0.501 20 1 "[ . 1 . +]" 2
25 1 9 LYS QB 1 31 CYS HA . . 5.500 5.367 4.331 6.635 1.135 1 2 "[+ . 1 . -2]" 2
26 1 52 CYS QB 1 53 THR HA . . 5.270 4.246 4.138 4.446 . 0 0 "[ . 1 . 2]" 2
27 1 23 SER HA 1 24 LYS QB . . 5.500 5.008 4.505 5.456 . 0 0 "[ . 1 . 2]" 2
28 1 52 CYS H 1 58 CYS QB . . 5.500 6.058 5.642 6.519 1.019 1 11 "[+** *** *** .- * 2]" 2
29 1 12 SER HB3 1 13 ALA MB . . 5.500 5.122 5.028 5.213 . 0 0 "[ . 1 . 2]" 2
30 1 39 CYS HA 1 40 ASN QB . . 5.500 4.249 4.161 4.393 . 0 0 "[ . 1 . 2]" 2
31 1 31 CYS QB 1 32 THR H . . 5.300 3.635 3.387 3.879 . 0 0 "[ . 1 . 2]" 2
32 1 4 LYS HA 1 4 LYS HE3 . . 5.500 4.939 4.162 6.122 0.622 11 3 "[ . -1+ . *]" 2
33 1 55 PRO QG 1 56 ASP HA . . 4.640 4.705 4.299 5.664 1.024 2 4 "[ + .* 1 *. - 2]" 2
34 1 12 SER HA 1 14 CYS H . . 5.500 4.322 4.109 4.456 . 0 0 "[ . 1 . 2]" 2
35 1 25 CYS HA 1 26 GLN HA . . 5.240 4.418 4.351 4.480 . 0 0 "[ . 1 . 2]" 2
36 1 62 SER HA 1 64 CYS QB . . 5.370 4.484 3.765 4.906 . 0 0 "[ . 1 . 2]" 2
37 1 33 CYS HA 1 34 ALA MB . . 4.840 3.971 3.869 4.018 . 0 0 "[ . 1 . 2]" 2
38 1 11 THR MG 1 12 SER HA . . 5.500 5.598 5.542 5.649 0.149 17 0 "[ . 1 . 2]" 2
39 1 38 THR H 1 38 THR MG . . 3.290 2.303 2.002 3.919 0.629 13 1 "[ . 1 + . 2]" 2
40 1 46 CYS HA 1 51 GLU HA . . 5.500 4.921 4.570 5.309 . 0 0 "[ . 1 . 2]" 2
41 1 42 THR HB 1 53 THR HB . . 5.500 5.392 4.882 6.079 0.579 6 1 "[ .+ 1 . 2]" 2
42 1 47 LYS HA 1 47 LYS HD3 . . 4.410 3.964 2.029 4.872 0.462 11 0 "[ . 1 . 2]" 2
43 1 66 CYS H 1 67 LYS HA . . 5.500 5.034 4.857 5.154 . 0 0 "[ . 1 . 2]" 2
44 1 47 LYS HB2 1 48 CYS QB . . 5.500 4.214 3.805 4.972 . 0 0 "[ . 1 . 2]" 2
45 1 5 GLY QA 1 6 LYS QE . . 5.500 5.607 3.330 6.665 1.165 20 8 "[ * . *- ** ** +]" 2
46 1 32 THR HA 1 37 LYS QB . . 5.500 4.394 2.709 5.399 . 0 0 "[ . 1 . 2]" 2
47 1 32 THR HA 1 37 LYS QE . . 4.560 4.285 1.984 6.076 1.516 7 6 "[* * * + 1 * - 2]" 2
48 1 37 LYS QD 1 55 PRO QG . . 5.230 5.705 3.617 6.664 1.434 8 12 "[** ****+ - ** * *]" 2
49 1 46 CYS QB 1 51 GLU QG . . 5.500 3.948 3.542 4.685 . 0 0 "[ . 1 . 2]" 2
50 1 12 SER HB3 1 13 ALA H . . 5.210 4.081 3.924 4.246 . 0 0 "[ . 1 . 2]" 2
51 1 8 GLU HA 1 9 LYS QG . . 5.500 5.109 4.318 6.161 0.661 13 2 "[ . 1 + . -2]" 2
52 1 32 THR HA 1 37 LYS QG . . 4.970 5.000 3.126 6.412 1.442 14 8 "[ *** *- 1 * +* 2]" 2
53 1 14 CYS HA 1 21 CYS HA . . 5.500 5.566 5.312 5.882 0.382 20 0 "[ . 1 . 2]" 2
54 1 30 GLY H 1 31 CYS HA . . 5.500 5.037 4.495 5.513 0.013 1 0 "[ . 1 . 2]" 2
stop_
save_
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