NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
546268 |
2rsd   |
11469 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rsd
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 561
_Distance_constraint_stats_list.Viol_count 1257
_Distance_constraint_stats_list.Viol_total 10986.944
_Distance_constraint_stats_list.Viol_max 2.112
_Distance_constraint_stats_list.Viol_rms 0.2226
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0490
_Distance_constraint_stats_list.Viol_average_violations_only 0.4370
_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 3 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 SER 2.573 0.220 14 0 "[ . 1 . 2]"
1 5 PHE 0.035 0.020 18 0 "[ . 1 . 2]"
1 6 GLN 2.573 0.220 14 0 "[ . 1 . 2]"
1 7 PRO 9.517 0.608 13 6 "[* *.* 1* + - 2]"
1 8 GLU 29.375 1.727 8 20 [*******+*********-**]
1 9 ALA 67.811 1.890 16 20 [**************-+****]
1 10 LYS 42.893 1.079 8 20 [*******+******-*****]
1 11 VAL 1.616 0.075 10 0 "[ . 1 . 2]"
1 12 ARG 57.636 2.046 13 20 [************+*******]
1 13 CYS 78.683 1.725 4 20 [***+*********-******]
1 14 ILE 22.208 1.140 20 20 [*****-*************+]
1 15 CYS 16.744 0.861 14 20 [**-**********+******]
1 16 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 SER 12.498 0.645 10 20 [*********+***-******]
1 18 THR 49.437 2.046 13 20 [************+****-**]
1 19 MET 17.638 1.280 17 20 [****************+-**]
1 20 VAL 14.554 0.653 10 20 [*********+**-*******]
1 21 ASN 13.279 0.653 10 20 [*********+**-*******]
1 22 ASP 0.463 0.029 8 0 "[ . 1 . 2]"
1 23 SER 3.493 0.196 10 0 "[ . 1 . 2]"
1 24 MET 10.932 0.449 19 0 "[ . 1 . 2]"
1 25 ILE 10.305 0.449 19 0 "[ . 1 . 2]"
1 26 GLN 0.799 0.048 17 0 "[ . 1 . 2]"
1 27 CYS 0.062 0.054 20 0 "[ . 1 . 2]"
1 28 GLU 1.615 0.108 12 0 "[ . 1 . 2]"
1 29 ASP 0.736 0.052 19 0 "[ . 1 . 2]"
1 30 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 ARG 35.042 0.655 12 20 [***********+*-******]
1 32 CYS 12.833 0.655 12 20 [*-*********+********]
1 33 GLN 80.382 1.537 17 20 [*************-**+***]
1 34 VAL 64.836 1.890 16 20 [***************+*-**]
1 35 TRP 20.513 0.543 12 2 "[ . 1 + . -]"
1 36 GLN 5.704 0.174 14 0 "[ . 1 . 2]"
1 37 HIS 20.643 1.200 19 20 [***************-**+*]
1 38 LEU 29.728 1.272 10 20 [*********+**-*******]
1 39 ASN 62.656 1.774 19 20 [************-*****+*]
1 40 CYS 21.194 1.272 10 20 [*****-***+**********]
1 41 VAL 37.917 1.774 19 20 [************-*****+*]
1 42 LEU 5.968 0.363 6 0 "[ . 1 . 2]"
1 43 ILE 12.731 0.685 19 7 "[ . * -1* *. *+*]"
1 44 PRO 11.890 1.036 2 10 "[*+* * - * ** * * 2]"
1 45 ASP 2.345 0.638 3 3 "[*-+ . 1 . 2]"
1 46 LYS 0.501 0.061 13 0 "[ . 1 . 2]"
1 47 PRO 0.188 0.030 19 0 "[ . 1 . 2]"
1 48 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 SER 2.384 0.583 1 3 "[+* . 1 - . 2]"
1 51 ALA 9.506 1.036 2 10 "[*+* * - * ** * * 2]"
1 52 GLU 11.542 0.685 19 10 "[*** . * -1* *. *+*]"
1 53 VAL 0.232 0.074 20 0 "[ . 1 . 2]"
1 54 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 VAL 0.580 0.195 10 0 "[ . 1 . 2]"
1 57 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 TYR 40.718 2.112 14 20 [*************+*****-]
1 59 CYS 0.735 0.052 19 0 "[ . 1 . 2]"
1 60 GLU 48.972 2.112 14 20 [*************+*****-]
1 61 LEU 52.062 1.725 4 20 [***+************-***]
1 62 CYS 4.397 0.167 11 0 "[ . 1 . 2]"
1 63 ARG 7.882 0.519 17 2 "[ . 1 . + -]"
1 64 LEU 23.117 1.196 8 20 [*******+********-***]
1 65 SER 0.146 0.057 19 0 "[ . 1 . 2]"
1 66 ARG 1.547 0.119 19 0 "[ . 1 . 2]"
1 67 ALA 1.145 0.119 19 0 "[ . 1 . 2]"
1 68 ASP 0.004 0.003 20 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 33 GLN H 1 34 VAL QG . . 6.060 3.489 3.461 3.532 . 0 0 "[ . 1 . 2]" 1
2 1 31 ARG QB 1 33 GLN H . . 4.950 5.501 5.467 5.551 0.601 17 20 [**************-*+***] 1
3 1 29 ASP H 1 33 GLN H . . 4.630 3.788 3.631 3.890 . 0 0 "[ . 1 . 2]" 1
4 1 33 GLN H 1 33 GLN HA . . 2.930 2.278 2.277 2.280 . 0 0 "[ . 1 . 2]" 1
5 1 26 GLN QE 1 33 GLN H . . 4.230 4.107 4.085 4.143 . 0 0 "[ . 1 . 2]" 1
6 1 32 CYS H 1 33 GLN H . . 3.350 2.280 2.251 2.315 . 0 0 "[ . 1 . 2]" 1
7 1 33 GLN H 1 33 GLN QE . . 5.150 3.437 3.428 3.451 . 0 0 "[ . 1 . 2]" 1
8 1 27 CYS H 1 33 GLN H . . 4.990 4.909 4.801 4.998 0.008 16 0 "[ . 1 . 2]" 1
9 1 33 GLN H 1 34 VAL H . . 3.320 2.945 2.793 3.024 . 0 0 "[ . 1 . 2]" 1
10 1 41 VAL H 1 53 VAL QG . . 6.370 6.173 5.684 6.439 0.069 15 0 "[ . 1 . 2]" 1
11 1 41 VAL H 1 42 LEU HA . . 5.000 4.764 4.694 4.842 . 0 0 "[ . 1 . 2]" 1
12 1 41 VAL H 1 41 VAL QG . . 4.160 1.987 1.909 2.055 . 0 0 "[ . 1 . 2]" 1
13 1 14 ILE MD 1 41 VAL H . . 5.730 5.486 5.218 5.708 . 0 0 "[ . 1 . 2]" 1
14 1 38 LEU HA 1 41 VAL H . . 4.460 3.235 3.136 3.323 . 0 0 "[ . 1 . 2]" 1
15 1 39 ASN QB 1 41 VAL H . . 5.300 4.793 4.730 4.847 . 0 0 "[ . 1 . 2]" 1
16 1 21 ASN QD 1 40 CYS H . . 5.040 3.742 3.531 3.986 . 0 0 "[ . 1 . 2]" 1
17 1 21 ASN QD 1 37 HIS HD2 . . 4.640 3.587 2.912 3.792 . 0 0 "[ . 1 . 2]" 1
18 1 21 ASN QD 1 39 ASN QD . . 5.060 2.898 2.609 3.629 . 0 0 "[ . 1 . 2]" 1
19 1 21 ASN QD 1 39 ASN QB . . 5.100 2.344 2.166 2.947 . 0 0 "[ . 1 . 2]" 1
20 1 21 ASN QD 1 37 HIS HA . . 5.230 2.688 2.258 2.900 . 0 0 "[ . 1 . 2]" 1
21 1 21 ASN H 1 21 ASN QD . . 5.460 4.323 4.197 4.382 . 0 0 "[ . 1 . 2]" 1
22 1 9 ALA MB 1 26 GLN QE . . 6.160 4.145 3.896 4.339 . 0 0 "[ . 1 . 2]" 1
23 1 9 ALA HA 1 26 GLN QE . . 4.560 3.346 3.196 3.542 . 0 0 "[ . 1 . 2]" 1
24 1 26 GLN QE 1 35 TRP HZ2 . . 4.940 3.854 3.589 4.043 . 0 0 "[ . 1 . 2]" 1
25 1 26 GLN QE 1 33 GLN QE . . 3.590 2.440 2.299 2.539 . 0 0 "[ . 1 . 2]" 1
26 1 10 LYS H 1 26 GLN QE . . 5.260 4.020 3.855 4.290 . 0 0 "[ . 1 . 2]" 1
27 1 8 GLU QB 1 26 GLN QE . . 5.460 3.414 3.059 3.642 . 0 0 "[ . 1 . 2]" 1
28 1 13 CYS H 1 36 GLN QE . . 5.430 5.064 5.025 5.088 . 0 0 "[ . 1 . 2]" 1
29 1 36 GLN QE 1 59 CYS HA . . 5.420 3.072 2.861 3.286 . 0 0 "[ . 1 . 2]" 1
30 1 36 GLN HA 1 36 GLN QE . . 5.060 4.588 4.467 4.693 . 0 0 "[ . 1 . 2]" 1
31 1 13 CYS HA 1 36 GLN QE . . 3.740 3.343 3.287 3.378 . 0 0 "[ . 1 . 2]" 1
32 1 36 GLN QE 1 61 LEU QD . . 6.520 4.550 3.025 4.901 . 0 0 "[ . 1 . 2]" 1
33 1 14 ILE H 1 36 GLN QE . . 5.270 4.361 4.243 4.485 . 0 0 "[ . 1 . 2]" 1
34 1 34 VAL HB 1 36 GLN QE . . 5.000 3.775 3.703 3.860 . 0 0 "[ . 1 . 2]" 1
35 1 34 VAL QG 1 36 GLN QE . . 5.080 3.283 3.029 3.434 . 0 0 "[ . 1 . 2]" 1
36 1 47 PRO HA 1 48 GLY H . . 3.530 2.165 2.155 2.173 . 0 0 "[ . 1 . 2]" 1
37 1 24 MET HA 1 39 ASN H . . 5.440 5.081 4.844 5.201 . 0 0 "[ . 1 . 2]" 1
38 1 39 ASN H 1 39 ASN QD . . 4.780 2.363 2.041 3.121 . 0 0 "[ . 1 . 2]" 1
39 1 37 HIS HD2 1 39 ASN H . . 4.730 5.747 5.366 5.930 1.200 19 20 [***************-**+*] 1
40 1 23 SER H 1 39 ASN H . . 5.490 3.906 3.714 4.089 . 0 0 "[ . 1 . 2]" 1
41 1 37 HIS HA 1 39 ASN H . . 4.590 3.876 3.669 4.035 . 0 0 "[ . 1 . 2]" 1
42 1 39 ASN H 1 42 LEU QB . . 4.830 4.379 4.301 4.566 . 0 0 "[ . 1 . 2]" 1
43 1 6 GLN HA 1 6 GLN QE . . 5.460 2.098 1.922 2.593 . 0 0 "[ . 1 . 2]" 1
44 1 6 GLN QE 1 7 PRO QD . . 6.360 2.818 2.364 3.314 . 0 0 "[ . 1 . 2]" 1
45 1 4 SER HA 1 6 GLN QE . . 5.220 4.292 3.876 4.917 . 0 0 "[ . 1 . 2]" 1
46 1 30 GLN HA 1 33 GLN QE . . 4.130 3.185 3.142 3.274 . 0 0 "[ . 1 . 2]" 1
47 1 33 GLN HA 1 33 GLN QE . . 4.700 2.260 2.213 2.353 . 0 0 "[ . 1 . 2]" 1
48 1 23 SER H 1 39 ASN QD . . 5.140 3.174 2.759 3.903 . 0 0 "[ . 1 . 2]" 1
49 1 30 GLN QG 1 33 GLN QE . . 6.280 4.617 4.137 5.920 . 0 0 "[ . 1 . 2]" 1
50 1 38 LEU QB 1 39 ASN QD . . 5.470 3.165 2.909 3.419 . 0 0 "[ . 1 . 2]" 1
51 1 30 GLN HA 1 30 GLN QE . . 5.290 3.728 3.054 4.233 . 0 0 "[ . 1 . 2]" 1
52 1 32 CYS H 1 33 GLN QE . . 5.030 4.724 4.693 4.765 . 0 0 "[ . 1 . 2]" 1
53 1 65 SER H 1 67 ALA H . . 4.910 3.921 3.723 4.258 . 0 0 "[ . 1 . 2]" 1
54 1 65 SER H 1 66 ARG QB . . 4.920 4.470 4.287 4.645 . 0 0 "[ . 1 . 2]" 1
55 1 27 CYS QB 1 33 GLN QE . . 5.440 4.536 4.406 4.642 . 0 0 "[ . 1 . 2]" 1
56 1 10 LYS H 1 33 GLN QE . . 5.500 6.338 6.236 6.511 1.011 17 20 [**************-*+***] 1
57 1 39 ASN QD 1 40 CYS H . . 4.920 4.536 4.339 4.698 . 0 0 "[ . 1 . 2]" 1
58 1 65 SER H 1 67 ALA MB . . 6.380 5.516 4.379 6.437 0.057 19 0 "[ . 1 . 2]" 1
59 1 64 LEU QD 1 65 SER H . . 6.190 4.137 4.004 4.318 . 0 0 "[ . 1 . 2]" 1
60 1 62 CYS QB 1 65 SER H . . 5.350 4.840 4.658 4.941 . 0 0 "[ . 1 . 2]" 1
61 1 55 PRO HB3 1 56 VAL H . . 4.470 3.965 3.962 3.969 . 0 0 "[ . 1 . 2]" 1
62 1 56 VAL H 1 56 VAL HB . . 3.460 2.976 2.481 3.655 0.195 10 0 "[ . 1 . 2]" 1
63 1 55 PRO HB2 1 56 VAL H . . 3.430 3.031 3.025 3.038 . 0 0 "[ . 1 . 2]" 1
64 1 55 PRO QD 1 56 VAL H . . 4.420 2.650 2.648 2.653 . 0 0 "[ . 1 . 2]" 1
65 1 54 PRO HA 1 56 VAL H . . 4.750 4.457 4.418 4.483 . 0 0 "[ . 1 . 2]" 1
66 1 54 PRO QG 1 56 VAL H . . 4.910 4.226 4.141 4.319 . 0 0 "[ . 1 . 2]" 1
67 1 3 ASP QB 1 4 SER H . . 6.170 3.257 2.373 4.037 . 0 0 "[ . 1 . 2]" 1
68 1 21 ASN QD 1 22 ASP H . . 5.490 2.498 2.306 3.096 . 0 0 "[ . 1 . 2]" 1
69 1 20 VAL QG 1 22 ASP H . . 6.390 5.361 5.263 5.469 . 0 0 "[ . 1 . 2]" 1
70 1 21 ASN H 1 22 ASP H . . 4.770 4.476 4.429 4.504 . 0 0 "[ . 1 . 2]" 1
71 1 40 CYS H 1 42 LEU H . . 4.290 3.738 3.652 3.814 . 0 0 "[ . 1 . 2]" 1
72 1 39 ASN H 1 40 CYS H . . 3.260 2.603 2.444 2.652 . 0 0 "[ . 1 . 2]" 1
73 1 40 CYS H 1 42 LEU QD . . 5.110 4.558 4.146 4.938 . 0 0 "[ . 1 . 2]" 1
74 1 40 CYS H 1 41 VAL H . . 2.900 2.331 2.221 2.462 . 0 0 "[ . 1 . 2]" 1
75 1 37 HIS HA 1 40 CYS H . . 4.870 4.222 4.173 4.290 . 0 0 "[ . 1 . 2]" 1
76 1 38 LEU HA 1 40 CYS H . . 4.650 3.947 3.788 4.126 . 0 0 "[ . 1 . 2]" 1
77 1 49 GLU H 1 50 SER H . . 4.590 4.473 4.424 4.538 . 0 0 "[ . 1 . 2]" 1
78 1 49 GLU HA 1 50 SER H . . 2.900 2.671 2.588 2.717 . 0 0 "[ . 1 . 2]" 1
79 1 21 ASN H 1 23 SER H . . 4.750 4.754 4.597 4.855 0.105 10 0 "[ . 1 . 2]" 1
80 1 23 SER H 1 24 MET HA . . 5.300 4.492 4.479 4.511 . 0 0 "[ . 1 . 2]" 1
81 1 23 SER H 1 39 ASN QB . . 5.410 4.040 3.704 4.538 . 0 0 "[ . 1 . 2]" 1
82 1 23 SER H 1 38 LEU H . . 4.880 4.168 4.049 4.342 . 0 0 "[ . 1 . 2]" 1
83 1 21 ASN QD 1 23 SER H . . 4.860 1.931 1.826 2.399 . 0 0 "[ . 1 . 2]" 1
84 1 22 ASP HA 1 23 SER H . . 3.500 3.523 3.497 3.529 0.029 8 0 "[ . 1 . 2]" 1
85 1 22 ASP QB 1 23 SER H . . 4.460 2.736 2.649 2.852 . 0 0 "[ . 1 . 2]" 1
86 1 23 SER H 1 24 MET ME . . 6.150 5.785 5.217 6.152 0.002 14 0 "[ . 1 . 2]" 1
87 1 22 ASP H 1 23 SER H . . 3.650 2.710 2.588 2.768 . 0 0 "[ . 1 . 2]" 1
88 1 35 TRP HE3 1 36 GLN H . . 4.760 4.465 4.329 4.587 . 0 0 "[ . 1 . 2]" 1
89 1 25 ILE MD 1 36 GLN H . . 5.320 5.462 5.443 5.494 0.174 14 0 "[ . 1 . 2]" 1
90 1 35 TRP HA 1 36 GLN H . . 2.820 2.226 2.195 2.260 . 0 0 "[ . 1 . 2]" 1
91 1 36 GLN H 1 37 HIS H . . 4.790 4.421 4.387 4.445 . 0 0 "[ . 1 . 2]" 1
92 1 35 TRP HD1 1 36 GLN H . . 5.410 5.552 5.519 5.572 0.162 1 0 "[ . 1 . 2]" 1
93 1 34 VAL QG 1 36 GLN H . . 6.340 5.012 4.661 5.194 . 0 0 "[ . 1 . 2]" 1
94 1 34 VAL H 1 61 LEU QD . . 6.480 6.003 5.449 6.220 . 0 0 "[ . 1 . 2]" 1
95 1 26 GLN QG 1 34 VAL H . . 5.230 3.314 3.132 3.687 . 0 0 "[ . 1 . 2]" 1
96 1 34 VAL H 1 35 TRP H . . 4.820 4.346 4.290 4.453 . 0 0 "[ . 1 . 2]" 1
97 1 34 VAL H 1 34 VAL QG . . 4.090 1.915 1.854 1.970 . 0 0 "[ . 1 . 2]" 1
98 1 8 GLU HA 1 34 VAL H . . 5.240 6.709 6.406 6.967 1.727 8 20 [*******+*********-**] 1
99 1 58 TYR QD 1 63 ARG H . . 7.620 4.972 3.527 5.564 . 0 0 "[ . 1 . 2]" 1
100 1 63 ARG H 1 64 LEU H . . 3.250 2.821 2.613 2.943 . 0 0 "[ . 1 . 2]" 1
101 1 60 GLU H 1 63 ARG H . . 5.260 4.594 4.531 4.749 . 0 0 "[ . 1 . 2]" 1
102 1 60 GLU HA 1 63 ARG H . . 4.190 3.460 3.218 3.526 . 0 0 "[ . 1 . 2]" 1
103 1 59 CYS H 1 63 ARG H . . 5.140 4.596 4.463 4.925 . 0 0 "[ . 1 . 2]" 1
104 1 61 LEU HA 1 63 ARG H . . 4.940 4.477 4.170 4.942 0.002 17 0 "[ . 1 . 2]" 1
105 1 63 ARG H 1 66 ARG H . . 5.030 4.658 4.497 4.791 . 0 0 "[ . 1 . 2]" 1
106 1 63 ARG H 1 66 ARG QG . . 5.930 5.644 5.069 5.959 0.029 16 0 "[ . 1 . 2]" 1
107 1 60 GLU QB 1 63 ARG H . . 4.490 4.861 4.669 5.009 0.519 17 2 "[ . 1 . + -]" 1
108 1 63 ARG H 1 63 ARG QD . . 5.370 4.600 4.543 4.680 . 0 0 "[ . 1 . 2]" 1
109 1 61 LEU H 1 63 ARG H . . 4.520 4.013 3.834 4.347 . 0 0 "[ . 1 . 2]" 1
110 1 31 ARG H 1 33 GLN QB . . 5.760 6.283 6.252 6.306 0.546 15 19 "[*************-+* ***]" 1
111 1 31 ARG H 1 31 ARG QG . . 4.200 2.880 2.212 3.770 . 0 0 "[ . 1 . 2]" 1
112 1 13 CYS QB 1 17 SER H . . 4.950 2.780 2.721 2.847 . 0 0 "[ . 1 . 2]" 1
113 1 30 GLN H 1 31 ARG H . . 3.500 2.657 2.616 2.677 . 0 0 "[ . 1 . 2]" 1
114 1 18 THR H 1 19 MET QB . . 3.630 4.403 4.191 4.910 1.280 17 20 [****************+-**] 1
115 1 31 ARG H 1 32 CYS H . . 2.890 2.566 2.533 2.628 . 0 0 "[ . 1 . 2]" 1
116 1 30 GLN QG 1 31 ARG H . . 5.240 3.669 2.187 4.249 . 0 0 "[ . 1 . 2]" 1
117 1 31 ARG H 1 32 CYS HA . . 4.400 5.042 5.029 5.055 0.655 12 20 [*-*********+********] 1
118 1 29 ASP HA 1 31 ARG H . . 4.080 3.509 3.471 3.573 . 0 0 "[ . 1 . 2]" 1
119 1 31 ARG H 1 33 GLN H . . 4.470 4.507 4.488 4.535 0.065 17 0 "[ . 1 . 2]" 1
120 1 17 SER H 1 18 THR H . . 4.130 4.189 4.149 4.224 0.094 18 0 "[ . 1 . 2]" 1
121 1 17 SER H 1 37 HIS HE1 . . 4.560 3.771 3.604 4.027 . 0 0 "[ . 1 . 2]" 1
122 1 16 SER H 1 17 SER H . . 3.860 2.768 2.733 2.788 . 0 0 "[ . 1 . 2]" 1
123 1 17 SER HA 1 18 THR H . . 2.840 2.139 2.137 2.146 . 0 0 "[ . 1 . 2]" 1
124 1 18 THR H 1 18 THR MG . . 4.710 2.438 1.966 2.570 . 0 0 "[ . 1 . 2]" 1
125 1 46 LYS H 1 46 LYS QG . . 4.790 3.747 2.073 4.157 . 0 0 "[ . 1 . 2]" 1
126 1 45 ASP HA 1 46 LYS H . . 3.480 3.469 3.380 3.502 0.022 5 0 "[ . 1 . 2]" 1
127 1 63 ARG QD 1 64 LEU H . . 6.110 4.832 4.709 5.084 . 0 0 "[ . 1 . 2]" 1
128 1 61 LEU HA 1 64 LEU H . . 4.110 3.924 3.770 4.041 . 0 0 "[ . 1 . 2]" 1
129 1 43 ILE MG 1 46 LYS H . . 5.990 5.798 5.514 6.051 0.061 13 0 "[ . 1 . 2]" 1
130 1 61 LEU H 1 64 LEU H . . 4.610 4.836 4.727 4.919 0.309 2 0 "[ . 1 . 2]" 1
131 1 64 LEU H 1 65 SER H . . 3.220 2.550 2.324 2.646 . 0 0 "[ . 1 . 2]" 1
132 1 60 GLU HA 1 64 LEU H . . 4.610 3.801 3.604 4.050 . 0 0 "[ . 1 . 2]" 1
133 1 33 GLN HA 1 35 TRP H . . 5.300 5.690 5.624 5.837 0.537 20 1 "[ . 1 . +]" 1
134 1 10 LYS QB 1 35 TRP H . . 5.050 3.943 3.841 4.020 . 0 0 "[ . 1 . 2]" 1
135 1 35 TRP H 1 36 GLN H . . 4.990 4.571 4.535 4.591 . 0 0 "[ . 1 . 2]" 1
136 1 26 GLN HA 1 35 TRP H . . 4.700 4.235 4.147 4.349 . 0 0 "[ . 1 . 2]" 1
137 1 34 VAL HB 1 35 TRP H . . 3.430 3.311 3.146 3.380 . 0 0 "[ . 1 . 2]" 1
138 1 26 GLN QE 1 35 TRP H . . 5.360 4.732 4.505 5.110 . 0 0 "[ . 1 . 2]" 1
139 1 34 VAL QG 1 35 TRP H . . 5.000 3.518 3.481 3.534 . 0 0 "[ . 1 . 2]" 1
140 1 34 VAL HA 1 35 TRP H . . 2.820 2.147 2.142 2.166 . 0 0 "[ . 1 . 2]" 1
141 1 35 TRP H 1 35 TRP HD1 . . 4.130 2.135 2.063 2.293 . 0 0 "[ . 1 . 2]" 1
142 1 48 GLY H 1 49 GLU H . . 3.980 2.556 2.382 2.708 . 0 0 "[ . 1 . 2]" 1
143 1 47 PRO QD 1 49 GLU H . . 5.230 4.704 4.517 4.891 . 0 0 "[ . 1 . 2]" 1
144 1 47 PRO HA 1 49 GLU H . . 4.280 3.634 3.446 3.725 . 0 0 "[ . 1 . 2]" 1
145 1 34 VAL QG 1 60 GLU H . . 5.780 4.560 4.442 5.014 . 0 0 "[ . 1 . 2]" 1
146 1 36 GLN QE 1 60 GLU H . . 4.230 2.637 2.260 2.902 . 0 0 "[ . 1 . 2]" 1
147 1 60 GLU H 1 63 ARG QG . . 5.380 4.475 4.260 5.066 . 0 0 "[ . 1 . 2]" 1
148 1 59 CYS H 1 60 GLU H . . 4.750 4.571 4.542 4.649 . 0 0 "[ . 1 . 2]" 1
149 1 7 PRO QD 1 8 GLU H . . 5.170 2.637 2.605 2.698 . 0 0 "[ . 1 . 2]" 1
150 1 59 CYS HA 1 60 GLU H . . 3.190 2.593 2.339 2.661 . 0 0 "[ . 1 . 2]" 1
151 1 60 GLU H 1 61 LEU H . . 3.420 2.757 2.688 2.865 . 0 0 "[ . 1 . 2]" 1
152 1 8 GLU H 1 9 ALA MB . . 6.020 3.838 3.679 4.010 . 0 0 "[ . 1 . 2]" 1
153 1 58 TYR H 1 60 GLU H . . 5.090 7.042 6.574 7.202 2.112 14 20 [*************+*****-] 1
154 1 8 GLU H 1 8 GLU QG . . 4.600 3.697 3.264 3.868 . 0 0 "[ . 1 . 2]" 1
155 1 6 GLN HA 1 8 GLU H . . 4.730 4.020 3.742 4.131 . 0 0 "[ . 1 . 2]" 1
156 1 60 GLU H 1 61 LEU HG . . 5.050 4.068 3.936 4.383 . 0 0 "[ . 1 . 2]" 1
157 1 14 ILE H 1 15 CYS H . . 2.990 2.670 2.666 2.673 . 0 0 "[ . 1 . 2]" 1
158 1 15 CYS H 1 17 SER H . . 4.840 3.867 3.816 3.925 . 0 0 "[ . 1 . 2]" 1
159 1 15 CYS H 1 16 SER H . . 4.260 2.450 2.434 2.467 . 0 0 "[ . 1 . 2]" 1
160 1 15 CYS H 1 40 CYS QB . . 4.740 4.462 4.319 4.490 . 0 0 "[ . 1 . 2]" 1
161 1 13 CYS H 1 15 CYS H . . 4.830 4.597 4.582 4.615 . 0 0 "[ . 1 . 2]" 1
162 1 14 ILE MG 1 15 CYS H . . 5.400 4.115 3.997 4.160 . 0 0 "[ . 1 . 2]" 1
163 1 14 ILE HB 1 15 CYS H . . 4.640 3.943 3.902 4.038 . 0 0 "[ . 1 . 2]" 1
164 1 13 CYS HA 1 15 CYS H . . 4.570 3.982 3.963 4.000 . 0 0 "[ . 1 . 2]" 1
165 1 17 SER HA 1 19 MET H . . 3.980 3.654 3.339 3.706 . 0 0 "[ . 1 . 2]" 1
166 1 18 THR MG 1 19 MET H . . 5.520 4.252 3.973 4.305 . 0 0 "[ . 1 . 2]" 1
167 1 18 THR HA 1 19 MET H . . 3.570 2.957 2.909 3.318 . 0 0 "[ . 1 . 2]" 1
168 1 19 MET H 1 20 VAL H . . 4.450 4.517 4.495 4.589 0.139 7 0 "[ . 1 . 2]" 1
169 1 18 THR HB 1 19 MET H . . 4.710 4.483 4.336 4.514 . 0 0 "[ . 1 . 2]" 1
170 1 18 THR H 1 19 MET H . . 2.870 2.864 2.540 2.911 0.041 8 0 "[ . 1 . 2]" 1
171 1 19 MET H 1 20 VAL QG . . 6.280 5.256 5.121 5.307 . 0 0 "[ . 1 . 2]" 1
172 1 45 ASP H 1 52 GLU QB . . 3.950 3.810 3.325 4.588 0.638 3 3 "[*-+ . 1 . 2]" 1
173 1 44 PRO HA 1 45 ASP H . . 2.690 2.215 2.181 2.259 . 0 0 "[ . 1 . 2]" 1
174 1 45 ASP H 1 46 LYS H . . 2.970 2.731 2.600 2.777 . 0 0 "[ . 1 . 2]" 1
175 1 24 MET HA 1 25 ILE H . . 2.930 2.385 2.333 2.442 . 0 0 "[ . 1 . 2]" 1
176 1 25 ILE H 1 41 VAL QG . . 6.370 4.843 4.505 5.012 . 0 0 "[ . 1 . 2]" 1
177 1 25 ILE H 1 38 LEU HG . . 5.050 4.078 3.854 4.288 . 0 0 "[ . 1 . 2]" 1
178 1 25 ILE H 1 25 ILE HB . . 3.880 3.433 3.375 3.454 . 0 0 "[ . 1 . 2]" 1
179 1 25 ILE H 1 57 PHE QE . . 6.790 5.437 5.116 5.684 . 0 0 "[ . 1 . 2]" 1
180 1 25 ILE H 1 35 TRP HE3 . . 4.330 3.695 3.609 3.855 . 0 0 "[ . 1 . 2]" 1
181 1 66 ARG H 1 66 ARG QG . . 4.270 3.291 2.651 3.848 . 0 0 "[ . 1 . 2]" 1
182 1 64 LEU HA 1 66 ARG H . . 4.560 3.959 3.774 4.286 . 0 0 "[ . 1 . 2]" 1
183 1 63 ARG HA 1 66 ARG H . . 4.430 3.719 3.625 3.819 . 0 0 "[ . 1 . 2]" 1
184 1 63 ARG QD 1 66 ARG H . . 6.090 6.085 6.025 6.183 0.093 12 0 "[ . 1 . 2]" 1
185 1 43 ILE MG 1 52 GLU H . . 5.870 5.526 5.330 5.593 . 0 0 "[ . 1 . 2]" 1
186 1 51 ALA HA 1 52 GLU H . . 2.680 2.407 2.364 2.423 . 0 0 "[ . 1 . 2]" 1
187 1 51 ALA MB 1 52 GLU H . . 4.560 2.433 2.346 2.612 . 0 0 "[ . 1 . 2]" 1
188 1 43 ILE QG 1 52 GLU H . . 4.830 5.293 5.083 5.515 0.685 19 7 "[ . * -1* *. *+*]" 1
189 1 44 PRO QD 1 52 GLU H . . 5.220 4.067 4.007 4.145 . 0 0 "[ . 1 . 2]" 1
190 1 42 LEU HA 1 52 GLU H . . 5.040 4.137 3.926 4.434 . 0 0 "[ . 1 . 2]" 1
191 1 43 ILE MD 1 52 GLU H . . 6.340 5.668 5.453 6.379 0.039 6 0 "[ . 1 . 2]" 1
192 1 61 LEU H 1 64 LEU QB . . 4.230 5.155 4.791 5.426 1.196 8 20 [*******+********-***] 1
193 1 61 LEU H 1 61 LEU HG . . 3.450 1.947 1.927 1.960 . 0 0 "[ . 1 . 2]" 1
194 1 36 GLN QE 1 61 LEU H . . 5.360 4.570 3.894 4.867 . 0 0 "[ . 1 . 2]" 1
195 1 37 HIS H 1 37 HIS HD2 . . 4.960 3.677 3.521 3.927 . 0 0 "[ . 1 . 2]" 1
196 1 37 HIS H 1 41 VAL QG . . 5.340 3.632 3.475 3.769 . 0 0 "[ . 1 . 2]" 1
197 1 24 MET ME 1 37 HIS H . . 6.000 4.951 4.693 5.147 . 0 0 "[ . 1 . 2]" 1
198 1 36 GLN HA 1 37 HIS H . . 3.080 2.394 2.313 2.426 . 0 0 "[ . 1 . 2]" 1
199 1 37 HIS H 1 40 CYS H . . 4.770 4.631 4.527 4.700 . 0 0 "[ . 1 . 2]" 1
200 1 13 CYS HA 1 37 HIS H . . 4.400 4.113 3.906 4.386 . 0 0 "[ . 1 . 2]" 1
201 1 29 ASP QB 1 59 CYS H . . 5.400 4.791 4.727 4.867 . 0 0 "[ . 1 . 2]" 1
202 1 58 TYR HA 1 59 CYS H . . 2.950 2.142 2.137 2.151 . 0 0 "[ . 1 . 2]" 1
203 1 57 PHE QD 1 59 CYS H . . 7.120 4.394 4.198 4.621 . 0 0 "[ . 1 . 2]" 1
204 1 27 CYS HA 1 59 CYS H . . 4.130 3.764 3.577 3.896 . 0 0 "[ . 1 . 2]" 1
205 1 57 PHE QE 1 59 CYS H . . 7.280 3.826 3.655 4.014 . 0 0 "[ . 1 . 2]" 1
206 1 58 TYR QD 1 59 CYS H . . 6.780 3.691 3.496 4.391 . 0 0 "[ . 1 . 2]" 1
207 1 10 LYS H 1 12 ARG QB . . 5.150 6.087 5.993 6.229 1.079 8 20 [*******+****-*******] 1
208 1 9 ALA HA 1 10 LYS H . . 2.590 2.302 2.259 2.334 . 0 0 "[ . 1 . 2]" 1
209 1 10 LYS H 1 34 VAL QG . . 5.800 4.061 3.979 4.178 . 0 0 "[ . 1 . 2]" 1
210 1 10 LYS H 1 10 LYS QE . . 6.380 5.447 4.677 6.050 . 0 0 "[ . 1 . 2]" 1
211 1 10 LYS H 1 10 LYS QD . . 5.520 4.770 4.549 5.006 . 0 0 "[ . 1 . 2]" 1
212 1 10 LYS H 1 34 VAL H . . 5.230 5.246 5.047 5.273 0.043 17 0 "[ . 1 . 2]" 1
213 1 21 ASN QD 1 24 MET H . . 5.480 4.390 4.293 4.557 . 0 0 "[ . 1 . 2]" 1
214 1 56 VAL QG 1 58 TYR H . . 6.420 4.341 4.039 5.191 . 0 0 "[ . 1 . 2]" 1
215 1 24 MET H 1 38 LEU HG . . 5.390 5.323 4.940 5.416 0.026 16 0 "[ . 1 . 2]" 1
216 1 24 MET H 1 38 LEU H . . 4.570 4.575 4.539 4.611 0.041 16 0 "[ . 1 . 2]" 1
217 1 24 MET H 1 37 HIS HD2 . . 5.230 5.241 5.206 5.288 0.058 10 0 "[ . 1 . 2]" 1
218 1 23 SER H 1 24 MET H . . 3.920 4.051 4.028 4.116 0.196 10 0 "[ . 1 . 2]" 1
219 1 24 MET H 1 25 ILE H . . 4.880 4.546 4.529 4.555 . 0 0 "[ . 1 . 2]" 1
220 1 57 PHE QE 1 58 TYR H . . 6.910 4.140 3.819 4.570 . 0 0 "[ . 1 . 2]" 1
221 1 58 TYR H 1 59 CYS H . . 4.820 4.219 4.056 4.291 . 0 0 "[ . 1 . 2]" 1
222 1 58 TYR H 1 63 ARG QD . . 5.970 4.807 4.593 5.109 . 0 0 "[ . 1 . 2]" 1
223 1 57 PHE HA 1 58 TYR H . . 2.760 2.191 2.148 2.218 . 0 0 "[ . 1 . 2]" 1
224 1 27 CYS HA 1 58 TYR H . . 5.360 5.089 4.995 5.223 . 0 0 "[ . 1 . 2]" 1
225 1 19 MET HA 1 20 VAL H . . 2.580 2.576 2.178 2.626 0.046 13 0 "[ . 1 . 2]" 1
226 1 30 GLN HA 1 32 CYS H . . 4.370 3.468 3.444 3.505 . 0 0 "[ . 1 . 2]" 1
227 1 5 PHE H 1 6 GLN H . . 4.450 4.047 3.916 4.172 . 0 0 "[ . 1 . 2]" 1
228 1 6 GLN H 1 10 LYS QB . . 5.000 4.151 3.483 4.630 . 0 0 "[ . 1 . 2]" 1
229 1 6 GLN H 1 7 PRO QD . . 5.680 4.355 4.303 4.376 . 0 0 "[ . 1 . 2]" 1
230 1 29 ASP H 1 58 TYR HA . . 4.770 4.722 4.675 4.771 0.001 17 0 "[ . 1 . 2]" 1
231 1 5 PHE HA 1 6 GLN H . . 3.020 2.241 2.235 2.254 . 0 0 "[ . 1 . 2]" 1
232 1 4 SER HA 1 6 GLN H . . 4.680 4.809 4.763 4.900 0.220 14 0 "[ . 1 . 2]" 1
233 1 29 ASP H 1 32 CYS H . . 5.290 4.629 4.572 4.682 . 0 0 "[ . 1 . 2]" 1
234 1 29 ASP H 1 30 GLN H . . 4.700 4.214 4.188 4.263 . 0 0 "[ . 1 . 2]" 1
235 1 6 GLN H 1 6 GLN QG . . 5.050 2.345 1.999 4.072 . 0 0 "[ . 1 . 2]" 1
236 1 29 ASP H 1 57 PHE QD . . 6.070 5.807 5.716 5.939 . 0 0 "[ . 1 . 2]" 1
237 1 42 LEU HG 1 43 ILE H . . 4.480 4.438 3.958 4.567 0.087 17 0 "[ . 1 . 2]" 1
238 1 42 LEU HA 1 43 ILE H . . 2.730 2.154 2.139 2.192 . 0 0 "[ . 1 . 2]" 1
239 1 43 ILE H 1 43 ILE MD . . 5.010 3.078 2.972 3.986 . 0 0 "[ . 1 . 2]" 1
240 1 43 ILE H 1 43 ILE HB . . 2.960 2.982 2.904 3.039 0.079 6 0 "[ . 1 . 2]" 1
241 1 43 ILE H 1 53 VAL QG . . 6.020 5.415 5.004 6.094 0.074 20 0 "[ . 1 . 2]" 1
242 1 29 ASP H 1 59 CYS H . . 5.330 5.367 5.332 5.382 0.052 19 0 "[ . 1 . 2]" 1
243 1 5 PHE QD 1 6 GLN H . . 7.320 4.278 3.291 4.848 . 0 0 "[ . 1 . 2]" 1
244 1 26 GLN QG 1 29 ASP H . . 5.240 4.627 4.539 4.676 . 0 0 "[ . 1 . 2]" 1
245 1 6 GLN H 1 11 VAL QG . . 6.500 5.364 5.060 5.722 . 0 0 "[ . 1 . 2]" 1
246 1 41 VAL HB 1 42 LEU H . . 4.240 4.341 4.323 4.407 0.167 19 0 "[ . 1 . 2]" 1
247 1 39 ASN HA 1 42 LEU H . . 4.250 3.660 3.559 3.756 . 0 0 "[ . 1 . 2]" 1
248 1 42 LEU H 1 42 LEU QD . . 4.390 3.618 3.430 3.718 . 0 0 "[ . 1 . 2]" 1
249 1 40 CYS HA 1 42 LEU H . . 5.280 3.772 3.747 3.804 . 0 0 "[ . 1 . 2]" 1
250 1 41 VAL H 1 42 LEU H . . 2.960 2.473 2.426 2.512 . 0 0 "[ . 1 . 2]" 1
251 1 39 ASN H 1 42 LEU H . . 5.080 4.998 4.901 5.054 . 0 0 "[ . 1 . 2]" 1
252 1 64 LEU QB 1 67 ALA H . . 5.100 4.653 4.561 4.851 . 0 0 "[ . 1 . 2]" 1
253 1 66 ARG H 1 67 ALA H . . 3.590 2.159 1.952 2.319 . 0 0 "[ . 1 . 2]" 1
254 1 64 LEU QD 1 67 ALA H . . 6.490 4.571 4.344 5.000 . 0 0 "[ . 1 . 2]" 1
255 1 66 ARG HA 1 67 ALA H . . 3.410 3.464 3.438 3.529 0.119 19 0 "[ . 1 . 2]" 1
256 1 11 VAL H 1 18 THR MG . . 5.900 3.673 3.393 4.422 . 0 0 "[ . 1 . 2]" 1
257 1 10 LYS H 1 11 VAL H . . 4.150 4.162 4.126 4.206 0.056 19 0 "[ . 1 . 2]" 1
258 1 42 LEU QD 1 53 VAL H . . 4.690 2.997 2.685 3.152 . 0 0 "[ . 1 . 2]" 1
259 1 10 LYS HA 1 11 VAL H . . 2.540 2.153 2.144 2.160 . 0 0 "[ . 1 . 2]" 1
260 1 11 VAL H 1 11 VAL QG . . 4.060 2.142 2.014 2.279 . 0 0 "[ . 1 . 2]" 1
261 1 19 MET ME 1 21 ASN H . . 6.020 5.315 3.452 5.994 . 0 0 "[ . 1 . 2]" 1
262 1 20 VAL HA 1 21 ASN H . . 2.660 2.290 2.212 2.367 . 0 0 "[ . 1 . 2]" 1
263 1 20 VAL HB 1 21 ASN H . . 3.780 4.424 4.385 4.433 0.653 10 20 [*********+**-*******] 1
264 1 21 ASN H 1 37 HIS HD2 . . 4.150 3.349 2.925 3.554 . 0 0 "[ . 1 . 2]" 1
265 1 20 VAL H 1 21 ASN H . . 4.140 3.977 3.835 4.147 0.007 7 0 "[ . 1 . 2]" 1
266 1 66 ARG H 1 68 ASP H . . 4.870 4.000 3.472 4.458 . 0 0 "[ . 1 . 2]" 1
267 1 67 ALA H 1 68 ASP H . . 2.690 2.596 2.122 2.693 0.003 20 0 "[ . 1 . 2]" 1
268 1 67 ALA MB 1 68 ASP H . . 5.280 3.192 2.189 3.720 . 0 0 "[ . 1 . 2]" 1
269 1 8 GLU H 1 9 ALA H . . 3.650 1.934 1.886 2.025 . 0 0 "[ . 1 . 2]" 1
270 1 7 PRO QB 1 9 ALA H . . 4.470 4.946 4.846 5.078 0.608 13 6 "[* *.* 1* + - 2]" 1
271 1 9 ALA H 1 10 LYS H . . 4.270 3.702 3.351 3.839 . 0 0 "[ . 1 . 2]" 1
272 1 7 PRO QD 1 9 ALA H . . 6.370 3.689 3.554 3.922 . 0 0 "[ . 1 . 2]" 1
273 1 9 ALA H 1 33 GLN QE . . 5.440 6.659 6.320 6.977 1.537 17 20 [****************+-**] 1
274 1 9 ALA H 1 34 VAL HA . . 4.820 6.515 5.921 6.710 1.890 16 20 [***************+*-**] 1
275 1 9 ALA H 1 35 TRP HE1 . . 5.210 4.810 4.583 4.956 . 0 0 "[ . 1 . 2]" 1
276 1 61 LEU H 1 62 CYS H . . 2.880 2.974 2.896 2.999 0.119 19 0 "[ . 1 . 2]" 1
277 1 59 CYS H 1 62 CYS H . . 4.930 4.160 4.082 4.367 . 0 0 "[ . 1 . 2]" 1
278 1 60 GLU H 1 62 CYS H . . 4.580 4.567 4.469 4.610 0.030 15 0 "[ . 1 . 2]" 1
279 1 62 CYS H 1 63 ARG H . . 2.910 2.614 2.470 2.664 . 0 0 "[ . 1 . 2]" 1
280 1 59 CYS QB 1 62 CYS H . . 5.280 4.098 3.808 4.168 . 0 0 "[ . 1 . 2]" 1
281 1 61 LEU HG 1 62 CYS H . . 4.210 3.884 3.798 4.218 0.008 12 0 "[ . 1 . 2]" 1
282 1 62 CYS H 1 64 LEU H . . 4.750 4.445 4.070 4.611 . 0 0 "[ . 1 . 2]" 1
283 1 62 CYS H 1 65 SER H . . 5.220 4.712 4.582 4.819 . 0 0 "[ . 1 . 2]" 1
284 1 50 SER HA 1 51 ALA H . . 2.800 2.145 2.138 2.162 . 0 0 "[ . 1 . 2]" 1
285 1 42 LEU QD 1 51 ALA H . . 6.210 4.035 3.584 4.255 . 0 0 "[ . 1 . 2]" 1
286 1 44 PRO QD 1 51 ALA H . . 4.030 4.477 3.591 5.066 1.036 2 10 "[*+* * - * ** * * 2]" 1
287 1 28 GLU H 1 29 ASP H . . 3.310 2.713 2.672 2.761 . 0 0 "[ . 1 . 2]" 1
288 1 28 GLU H 1 58 TYR HA . . 3.790 2.965 2.895 3.100 . 0 0 "[ . 1 . 2]" 1
289 1 28 GLU H 1 29 ASP QB . . 5.020 4.023 3.988 4.044 . 0 0 "[ . 1 . 2]" 1
290 1 28 GLU H 1 58 TYR H . . 4.800 4.881 4.854 4.908 0.108 12 0 "[ . 1 . 2]" 1
291 1 27 CYS HA 1 28 GLU H . . 2.980 2.288 2.276 2.301 . 0 0 "[ . 1 . 2]" 1
292 1 27 CYS H 1 28 GLU H . . 4.930 4.640 4.631 4.645 . 0 0 "[ . 1 . 2]" 1
293 1 28 GLU H 1 59 CYS H . . 4.800 4.299 4.113 4.432 . 0 0 "[ . 1 . 2]" 1
294 1 28 GLU H 1 57 PHE QD . . 6.410 3.733 3.590 3.970 . 0 0 "[ . 1 . 2]" 1
295 1 28 GLU H 1 58 TYR QD . . 6.640 3.163 2.628 3.561 . 0 0 "[ . 1 . 2]" 1
296 1 11 VAL QG 1 13 CYS H . . 5.060 3.358 3.315 3.439 . 0 0 "[ . 1 . 2]" 1
297 1 12 ARG QB 1 13 CYS H . . 4.840 3.810 3.776 3.839 . 0 0 "[ . 1 . 2]" 1
298 1 12 ARG HA 1 13 CYS H . . 2.950 2.240 2.236 2.243 . 0 0 "[ . 1 . 2]" 1
299 1 11 VAL HA 1 13 CYS H . . 5.010 5.074 5.055 5.085 0.075 10 0 "[ . 1 . 2]" 1
300 1 13 CYS H 1 15 CYS QB . . 5.330 6.167 6.141 6.191 0.861 14 20 [**-**********+******] 1
301 1 13 CYS H 1 14 ILE H . . 5.040 4.530 4.522 4.538 . 0 0 "[ . 1 . 2]" 1
302 1 13 CYS H 1 14 ILE HA . . 4.230 5.340 5.311 5.370 1.140 20 20 [*****-*************+] 1
303 1 30 GLN H 1 32 CYS H . . 5.190 4.170 4.095 4.241 . 0 0 "[ . 1 . 2]" 1
304 1 29 ASP HA 1 30 GLN H . . 2.980 2.145 2.140 2.148 . 0 0 "[ . 1 . 2]" 1
305 1 30 GLN H 1 30 GLN QG . . 4.570 3.632 2.164 4.029 . 0 0 "[ . 1 . 2]" 1
306 1 30 GLN H 1 31 ARG QB . . 5.470 4.623 4.463 4.895 . 0 0 "[ . 1 . 2]" 1
307 1 27 CYS H 1 34 VAL QG . . 5.280 3.199 3.126 3.285 . 0 0 "[ . 1 . 2]" 1
308 1 27 CYS H 1 35 TRP HA . . 4.020 3.271 3.162 3.402 . 0 0 "[ . 1 . 2]" 1
309 1 27 CYS H 1 57 PHE QD . . 7.140 3.848 3.652 3.986 . 0 0 "[ . 1 . 2]" 1
310 1 26 GLN H 1 27 CYS H . . 5.120 4.574 4.562 4.592 . 0 0 "[ . 1 . 2]" 1
311 1 25 ILE QG 1 27 CYS H . . 5.230 4.642 4.596 4.746 . 0 0 "[ . 1 . 2]" 1
312 1 27 CYS H 1 34 VAL H . . 4.510 2.832 2.668 3.172 . 0 0 "[ . 1 . 2]" 1
313 1 27 CYS H 1 57 PHE QE . . 7.140 3.681 3.231 3.966 . 0 0 "[ . 1 . 2]" 1
314 1 26 GLN HA 1 27 CYS H . . 2.910 2.232 2.197 2.290 . 0 0 "[ . 1 . 2]" 1
315 1 27 CYS H 1 58 TYR QD . . 7.200 6.790 6.506 7.254 0.054 20 0 "[ . 1 . 2]" 1
316 1 27 CYS H 1 35 TRP H . . 5.190 4.567 4.488 4.683 . 0 0 "[ . 1 . 2]" 1
317 1 26 GLN H 1 35 TRP HA . . 5.320 4.336 4.231 4.444 . 0 0 "[ . 1 . 2]" 1
318 1 26 GLN H 1 35 TRP HE3 . . 4.980 4.459 4.402 4.500 . 0 0 "[ . 1 . 2]" 1
319 1 25 ILE MD 1 26 GLN H . . 5.200 4.127 4.017 4.284 . 0 0 "[ . 1 . 2]" 1
320 1 26 GLN H 1 57 PHE QE . . 7.240 5.713 5.213 6.044 . 0 0 "[ . 1 . 2]" 1
321 1 25 ILE HA 1 26 GLN H . . 2.800 2.181 2.155 2.205 . 0 0 "[ . 1 . 2]" 1
322 1 25 ILE H 1 26 GLN H . . 4.640 4.244 4.173 4.307 . 0 0 "[ . 1 . 2]" 1
323 1 26 GLN H 1 35 TRP HZ3 . . 4.790 4.830 4.821 4.838 0.048 17 0 "[ . 1 . 2]" 1
324 1 24 MET HA 1 38 LEU H . . 3.310 2.567 2.443 2.649 . 0 0 "[ . 1 . 2]" 1
325 1 25 ILE MD 1 38 LEU H . . 5.830 5.537 5.455 5.675 . 0 0 "[ . 1 . 2]" 1
326 1 37 HIS HA 1 38 LEU H . . 2.910 2.142 2.140 2.146 . 0 0 "[ . 1 . 2]" 1
327 1 38 LEU H 1 40 CYS H . . 5.160 4.036 3.954 4.137 . 0 0 "[ . 1 . 2]" 1
328 1 25 ILE H 1 38 LEU H . . 4.320 3.892 3.790 4.051 . 0 0 "[ . 1 . 2]" 1
329 1 56 VAL HA 1 57 PHE H . . 2.620 2.148 2.140 2.171 . 0 0 "[ . 1 . 2]" 1
330 1 56 VAL HB 1 57 PHE H . . 4.440 4.056 3.159 4.285 . 0 0 "[ . 1 . 2]" 1
331 1 57 PHE H 1 58 TYR H . . 4.570 4.432 4.335 4.475 . 0 0 "[ . 1 . 2]" 1
332 1 25 ILE QG 1 57 PHE H . . 4.810 4.501 4.458 4.529 . 0 0 "[ . 1 . 2]" 1
333 1 57 PHE H 1 57 PHE QE . . 6.620 6.046 5.986 6.089 . 0 0 "[ . 1 . 2]" 1
334 1 57 PHE H 1 58 TYR QD . . 7.120 4.908 3.905 5.174 . 0 0 "[ . 1 . 2]" 1
335 1 33 GLN QG 1 35 TRP HE1 . . 5.500 5.931 5.745 6.043 0.543 12 1 "[ . 1 + . 2]" 1
336 1 8 GLU HA 1 35 TRP HE1 . . 5.420 5.235 4.760 5.424 0.004 12 0 "[ . 1 . 2]" 1
337 1 33 GLN QE 1 35 TRP HE1 . . 5.180 4.691 4.594 4.816 . 0 0 "[ . 1 . 2]" 1
338 1 9 ALA HA 1 35 TRP HE1 . . 4.080 2.208 2.096 2.381 . 0 0 "[ . 1 . 2]" 1
339 1 26 GLN QE 1 35 TRP HE1 . . 3.710 2.228 2.095 2.337 . 0 0 "[ . 1 . 2]" 1
340 1 10 LYS H 1 35 TRP HE1 . . 4.690 3.759 3.677 3.905 . 0 0 "[ . 1 . 2]" 1
341 1 9 ALA MB 1 35 TRP HE1 . . 4.870 3.097 2.933 3.328 . 0 0 "[ . 1 . 2]" 1
342 1 12 ARG H 1 36 GLN HA . . 3.900 3.857 3.779 3.910 0.010 11 0 "[ . 1 . 2]" 1
343 1 11 VAL QG 1 12 ARG H . . 4.550 3.057 2.962 3.143 . 0 0 "[ . 1 . 2]" 1
344 1 11 VAL HA 1 12 ARG H . . 2.730 2.162 2.153 2.179 . 0 0 "[ . 1 . 2]" 1
345 1 12 ARG H 1 34 VAL HB . . 3.960 3.389 3.302 3.566 . 0 0 "[ . 1 . 2]" 1
346 1 11 VAL H 1 12 ARG H . . 4.880 4.322 4.275 4.357 . 0 0 "[ . 1 . 2]" 1
347 1 12 ARG H 1 35 TRP H . . 3.950 3.331 3.236 3.426 . 0 0 "[ . 1 . 2]" 1
348 1 10 LYS QB 1 12 ARG H . . 4.780 5.111 4.978 5.193 0.413 10 0 "[ . 1 . 2]" 1
349 1 12 ARG H 1 34 VAL QG . . 5.240 3.985 3.909 4.084 . 0 0 "[ . 1 . 2]" 1
350 1 12 ARG H 1 13 CYS H . . 4.430 3.805 3.749 3.840 . 0 0 "[ . 1 . 2]" 1
351 1 12 ARG H 1 18 THR HB . . 4.980 6.593 6.369 7.026 2.046 13 20 [**-*********+*******] 1
352 1 63 ARG HA 1 63 ARG HE . . 5.190 4.961 4.855 4.997 . 0 0 "[ . 1 . 2]" 1
353 1 12 ARG HE 1 34 VAL QG . . 6.290 4.776 3.617 5.758 . 0 0 "[ . 1 . 2]" 1
354 1 30 GLN HA 1 33 GLN H . . 4.740 3.862 3.780 4.026 . 0 0 "[ . 1 . 2]" 1
355 1 33 GLN H 1 34 VAL HA . . 5.350 5.378 5.314 5.410 0.060 14 0 "[ . 1 . 2]" 1
356 1 39 ASN HA 1 41 VAL H . . 4.980 4.342 4.228 4.386 . 0 0 "[ . 1 . 2]" 1
357 1 41 VAL H 1 42 LEU HG . . 4.860 4.777 4.539 5.223 0.363 6 0 "[ . 1 . 2]" 1
358 1 21 ASN QD 1 24 MET ME . . 6.310 4.950 4.443 5.347 . 0 0 "[ . 1 . 2]" 1
359 1 26 GLN QE 1 33 GLN QB . . 4.550 2.206 2.112 2.247 . 0 0 "[ . 1 . 2]" 1
360 1 36 GLN QE 1 61 LEU HG . . 5.240 4.855 4.267 5.044 . 0 0 "[ . 1 . 2]" 1
361 1 44 PRO QG 1 48 GLY H . . 6.300 3.406 3.049 4.206 . 0 0 "[ . 1 . 2]" 1
362 1 39 ASN H 1 41 VAL HA . . 5.270 6.987 6.855 7.044 1.774 19 20 [************-*****+*] 1
363 1 38 LEU HG 1 39 ASN H . . 4.530 4.929 4.838 5.052 0.522 13 1 "[ . 1 + . 2]" 1
364 1 14 ILE HB 1 16 SER H . . 5.250 5.088 5.052 5.145 . 0 0 "[ . 1 . 2]" 1
365 1 64 LEU HG 1 65 SER H . . 4.840 4.842 4.823 4.859 0.019 12 0 "[ . 1 . 2]" 1
366 1 62 CYS HA 1 65 SER H . . 4.260 3.388 3.191 3.457 . 0 0 "[ . 1 . 2]" 1
367 1 55 PRO QG 1 56 VAL H . . 4.540 2.026 2.020 2.031 . 0 0 "[ . 1 . 2]" 1
368 1 38 LEU HG 1 40 CYS H . . 5.200 6.260 6.075 6.472 1.272 10 20 [*****-***+**********] 1
369 1 24 MET ME 1 36 GLN H . . 5.410 4.867 4.559 5.333 . 0 0 "[ . 1 . 2]" 1
370 1 26 GLN HA 1 36 GLN H . . 4.380 3.565 3.504 3.678 . 0 0 "[ . 1 . 2]" 1
371 1 33 GLN QB 1 34 VAL H . . 5.940 3.901 3.865 3.907 . 0 0 "[ . 1 . 2]" 1
372 1 16 SER HA 1 17 SER H . . 3.550 2.826 2.810 2.850 . 0 0 "[ . 1 . 2]" 1
373 1 11 VAL QG 1 17 SER H . . 6.330 4.502 4.411 4.610 . 0 0 "[ . 1 . 2]" 1
374 1 17 SER H 1 18 THR MG . . 6.240 4.294 4.181 4.688 . 0 0 "[ . 1 . 2]" 1
375 1 11 VAL QG 1 18 THR H . . 5.760 4.179 4.108 4.244 . 0 0 "[ . 1 . 2]" 1
376 1 44 PRO HA 1 46 LYS H . . 4.480 3.879 3.725 3.974 . 0 0 "[ . 1 . 2]" 1
377 1 17 SER H 1 18 THR HA . . 5.190 4.753 4.727 4.796 . 0 0 "[ . 1 . 2]" 1
378 1 46 LYS H 1 47 PRO HA . . 5.100 5.072 4.834 5.130 0.030 19 0 "[ . 1 . 2]" 1
379 1 44 PRO QG 1 46 LYS H . . 5.490 3.707 3.519 3.917 . 0 0 "[ . 1 . 2]" 1
380 1 46 LYS H 1 46 LYS QD . . 6.070 4.337 3.545 5.156 . 0 0 "[ . 1 . 2]" 1
381 1 13 CYS HA 1 17 SER H . . 4.910 5.476 5.411 5.555 0.645 10 20 [*********+***-******] 1
382 1 62 CYS HA 1 64 LEU H . . 4.700 4.540 4.162 4.701 0.001 5 0 "[ . 1 . 2]" 1
383 1 44 PRO QG 1 49 GLU H . . 5.870 3.816 2.938 4.868 . 0 0 "[ . 1 . 2]" 1
384 1 6 GLN QG 1 8 GLU H . . 6.220 4.342 2.219 4.666 . 0 0 "[ . 1 . 2]" 1
385 1 19 MET H 1 37 HIS HE1 . . 4.950 3.559 3.432 4.322 . 0 0 "[ . 1 . 2]" 1
386 1 45 ASP H 1 51 ALA MB . . 6.070 5.443 5.086 5.660 . 0 0 "[ . 1 . 2]" 1
387 1 44 PRO QG 1 45 ASP H . . 5.530 4.501 4.415 4.576 . 0 0 "[ . 1 . 2]" 1
388 1 42 LEU QD 1 45 ASP H . . 6.340 6.086 5.853 6.237 . 0 0 "[ . 1 . 2]" 1
389 1 45 ASP H 1 51 ALA HA . . 5.130 4.119 3.796 4.361 . 0 0 "[ . 1 . 2]" 1
390 1 24 MET ME 1 25 ILE H . . 5.600 4.545 4.197 5.262 . 0 0 "[ . 1 . 2]" 1
391 1 25 ILE H 1 37 HIS HA . . 4.530 3.882 3.694 4.014 . 0 0 "[ . 1 . 2]" 1
392 1 25 ILE H 1 35 TRP HA . . 4.330 4.033 3.863 4.260 . 0 0 "[ . 1 . 2]" 1
393 1 66 ARG H 1 67 ALA MB . . 6.180 4.240 3.787 4.596 . 0 0 "[ . 1 . 2]" 1
394 1 44 PRO HA 1 52 GLU H . . 4.930 2.965 2.858 3.174 . 0 0 "[ . 1 . 2]" 1
395 1 14 ILE H 1 14 ILE MG . . 4.690 2.365 2.067 2.526 . 0 0 "[ . 1 . 2]" 1
396 1 14 ILE H 1 41 VAL QG . . 5.800 4.460 4.290 4.630 . 0 0 "[ . 1 . 2]" 1
397 1 14 ILE H 1 14 ILE MD . . 5.670 3.685 3.582 3.768 . 0 0 "[ . 1 . 2]" 1
398 1 34 VAL QG 1 59 CYS H . . 5.960 3.419 3.297 3.572 . 0 0 "[ . 1 . 2]" 1
399 1 10 LYS H 1 35 TRP HD1 . . 3.730 2.454 2.317 2.508 . 0 0 "[ . 1 . 2]" 1
400 1 10 LYS H 1 11 VAL QG . . 5.720 4.406 4.301 4.488 . 0 0 "[ . 1 . 2]" 1
401 1 9 ALA MB 1 10 LYS H . . 4.540 3.627 3.590 3.651 . 0 0 "[ . 1 . 2]" 1
402 1 24 MET H 1 25 ILE HB . . 5.100 5.472 5.434 5.549 0.449 19 0 "[ . 1 . 2]" 1
403 1 10 LYS H 1 34 VAL HA . . 4.550 3.029 2.816 3.096 . 0 0 "[ . 1 . 2]" 1
404 1 23 SER HA 1 24 MET H . . 2.980 2.149 2.144 2.167 . 0 0 "[ . 1 . 2]" 1
405 1 57 PHE QD 1 58 TYR H . . 7.090 3.035 2.465 3.536 . 0 0 "[ . 1 . 2]" 1
406 1 24 MET H 1 24 MET ME . . 6.140 4.827 4.422 5.262 . 0 0 "[ . 1 . 2]" 1
407 1 20 VAL H 1 24 MET ME . . 5.840 4.593 3.735 4.957 . 0 0 "[ . 1 . 2]" 1
408 1 27 CYS HA 1 29 ASP H . . 4.650 3.863 3.837 3.891 . 0 0 "[ . 1 . 2]" 1
409 1 29 ASP H 1 58 TYR QE . . 6.330 3.603 3.328 4.314 . 0 0 "[ . 1 . 2]" 1
410 1 29 ASP H 1 58 TYR QD . . 5.820 3.882 3.632 4.828 . 0 0 "[ . 1 . 2]" 1
411 1 41 VAL QG 1 43 ILE H . . 5.700 5.143 4.817 5.395 . 0 0 "[ . 1 . 2]" 1
412 1 42 LEU QD 1 43 ILE H . . 5.270 3.001 2.441 3.739 . 0 0 "[ . 1 . 2]" 1
413 1 42 LEU H 1 43 ILE MG . . 5.730 5.829 5.799 5.901 0.171 13 0 "[ . 1 . 2]" 1
414 1 6 GLN H 1 9 ALA MB . . 5.570 3.878 3.622 4.445 . 0 0 "[ . 1 . 2]" 1
415 1 43 ILE H 1 51 ALA MB . . 5.520 3.691 3.201 3.968 . 0 0 "[ . 1 . 2]" 1
416 1 11 VAL H 1 18 THR HB . . 4.600 4.282 3.930 4.616 0.016 7 0 "[ . 1 . 2]" 1
417 1 5 PHE HA 1 11 VAL H . . 4.950 4.509 4.037 4.970 0.020 18 0 "[ . 1 . 2]" 1
418 1 11 VAL H 1 24 MET ME . . 5.830 5.445 4.894 5.836 0.006 20 0 "[ . 1 . 2]" 1
419 1 10 LYS QD 1 11 VAL H . . 5.470 5.067 4.786 5.271 . 0 0 "[ . 1 . 2]" 1
420 1 21 ASN H 1 24 MET ME . . 5.150 2.958 2.312 3.552 . 0 0 "[ . 1 . 2]" 1
421 1 7 PRO HA 1 9 ALA H . . 5.020 4.540 4.231 4.702 . 0 0 "[ . 1 . 2]" 1
422 1 60 GLU HA 1 62 CYS H . . 4.700 4.785 4.450 4.867 0.167 11 0 "[ . 1 . 2]" 1
423 1 44 PRO QG 1 51 ALA H . . 5.510 4.331 3.837 4.745 . 0 0 "[ . 1 . 2]" 1
424 1 44 PRO HA 1 51 ALA H . . 4.670 4.564 4.405 4.662 . 0 0 "[ . 1 . 2]" 1
425 1 13 CYS H 1 61 LEU QD . . 6.320 7.677 6.473 8.045 1.725 4 17 "[***+*****-* **** **2]" 1
426 1 13 CYS H 1 18 THR MG . . 5.800 4.168 3.970 4.917 . 0 0 "[ . 1 . 2]" 1
427 1 13 CYS H 1 16 SER HA . . 4.860 3.584 3.559 3.605 . 0 0 "[ . 1 . 2]" 1
428 1 25 ILE MD 1 27 CYS H . . 6.200 5.913 5.829 6.011 . 0 0 "[ . 1 . 2]" 1
429 1 25 ILE HB 1 26 GLN H . . 4.130 4.062 3.985 4.138 0.008 7 0 "[ . 1 . 2]" 1
430 1 38 LEU H 1 38 LEU HG . . 4.280 3.113 2.936 3.306 . 0 0 "[ . 1 . 2]" 1
431 1 24 MET ME 1 38 LEU H . . 6.090 5.660 5.195 6.104 0.014 10 0 "[ . 1 . 2]" 1
432 1 33 GLN QB 1 35 TRP HE1 . . 6.230 4.091 3.804 4.249 . 0 0 "[ . 1 . 2]" 1
433 1 34 VAL HA 1 35 TRP HE1 . . 5.130 5.153 5.133 5.177 0.047 7 0 "[ . 1 . 2]" 1
434 1 12 ARG H 1 34 VAL HA . . 4.850 4.327 4.210 4.507 . 0 0 "[ . 1 . 2]" 1
435 1 12 ARG H 1 24 MET ME . . 5.970 5.660 5.115 5.970 . 0 0 "[ . 1 . 2]" 1
436 1 25 ILE MD 1 38 LEU HG . . 5.850 3.166 3.062 3.552 . 0 0 "[ . 1 . 2]" 1
437 1 14 ILE MD 1 41 VAL HA . . 5.610 4.650 4.272 4.913 . 0 0 "[ . 1 . 2]" 1
438 1 14 ILE MD 1 40 CYS QB . . 5.580 2.901 2.657 3.112 . 0 0 "[ . 1 . 2]" 1
439 1 14 ILE MD 1 41 VAL QG . . 6.090 4.031 3.689 4.361 . 0 0 "[ . 1 . 2]" 1
440 1 25 ILE MG 1 57 PHE QD . . 8.130 3.035 2.862 3.169 . 0 0 "[ . 1 . 2]" 1
441 1 11 VAL QG 1 24 MET ME . . 5.350 2.021 1.704 2.276 . 0 0 "[ . 1 . 2]" 1
442 1 24 MET HA 1 24 MET ME . . 5.680 3.951 3.455 4.580 . 0 0 "[ . 1 . 2]" 1
443 1 11 VAL HA 1 24 MET ME . . 6.090 4.352 3.744 4.686 . 0 0 "[ . 1 . 2]" 1
444 1 41 VAL QG 1 42 LEU HG . . 5.450 3.483 3.197 3.961 . 0 0 "[ . 1 . 2]" 1
445 1 38 LEU HA 1 41 VAL QG . . 4.900 1.919 1.897 1.944 . 0 0 "[ . 1 . 2]" 1
446 1 25 ILE MD 1 41 VAL QG . . 5.710 3.538 3.217 3.824 . 0 0 "[ . 1 . 2]" 1
447 1 25 ILE MG 1 41 VAL QG . . 6.890 2.536 2.253 2.712 . 0 0 "[ . 1 . 2]" 1
448 1 8 GLU QB 1 9 ALA MB . . 5.260 3.536 3.378 3.686 . 0 0 "[ . 1 . 2]" 1
449 1 9 ALA MB 1 11 VAL QG . . 6.280 3.913 3.707 4.161 . 0 0 "[ . 1 . 2]" 1
450 1 42 LEU HA 1 51 ALA MB . . 6.060 3.627 3.466 3.775 . 0 0 "[ . 1 . 2]" 1
451 1 44 PRO QG 1 51 ALA MB . . 6.890 3.608 3.072 3.961 . 0 0 "[ . 1 . 2]" 1
452 1 43 ILE HA 1 51 ALA MB . . 6.460 3.966 3.051 4.439 . 0 0 "[ . 1 . 2]" 1
453 1 42 LEU QD 1 51 ALA MB . . 6.490 1.738 1.648 1.848 . 0 0 "[ . 1 . 2]" 1
454 1 28 GLU QG 1 56 VAL QG . . 5.520 1.928 1.838 2.110 . 0 0 "[ . 1 . 2]" 1
455 1 20 VAL QG 1 24 MET ME . . 6.100 3.389 2.708 3.804 . 0 0 "[ . 1 . 2]" 1
456 1 53 VAL QG 1 54 PRO QG . . 7.140 3.927 3.800 4.061 . 0 0 "[ . 1 . 2]" 1
457 1 25 ILE MG 1 53 VAL QG . . 7.150 4.389 4.122 4.571 . 0 0 "[ . 1 . 2]" 1
458 1 11 VAL QG 1 18 THR MG . . 5.890 2.706 2.463 3.329 . 0 0 "[ . 1 . 2]" 1
459 1 10 LYS QE 1 34 VAL QG . . 6.410 3.376 1.839 4.769 . 0 0 "[ . 1 . 2]" 1
460 1 10 LYS QD 1 34 VAL QG . . 6.380 3.178 2.311 3.942 . 0 0 "[ . 1 . 2]" 1
461 1 25 ILE MG 1 42 LEU QD . . 7.010 4.945 4.674 5.144 . 0 0 "[ . 1 . 2]" 1
462 1 61 LEU HA 1 64 LEU QD . . 5.530 3.882 3.148 4.247 . 0 0 "[ . 1 . 2]" 1
463 1 42 LEU HG 1 51 ALA MB . . 6.210 3.756 3.555 3.901 . 0 0 "[ . 1 . 2]" 1
464 1 41 VAL QG 1 43 ILE QG . . 6.010 4.696 4.289 4.998 . 0 0 "[ . 1 . 2]" 1
465 1 53 VAL HA 1 54 PRO QG . . 5.060 3.786 3.770 3.796 . 0 0 "[ . 1 . 2]" 1
466 1 55 PRO QG 1 56 VAL QG . . 6.750 2.533 2.067 2.968 . 0 0 "[ . 1 . 2]" 1
467 1 44 PRO QG 1 50 SER HA . . 5.410 5.181 4.266 5.993 0.583 1 3 "[+* . 1 - . 2]" 1
468 1 28 GLU QB 1 56 VAL QG . . 5.110 2.107 1.860 2.997 . 0 0 "[ . 1 . 2]" 1
469 1 6 GLN QB 1 7 PRO QD . . 5.260 2.077 1.940 3.266 . 0 0 "[ . 1 . 2]" 1
470 1 34 VAL QG 1 59 CYS QB . . 5.580 1.986 1.909 2.121 . 0 0 "[ . 1 . 2]" 1
471 1 11 VAL QG 1 13 CYS QB . . 5.310 3.162 3.079 3.266 . 0 0 "[ . 1 . 2]" 1
472 1 37 HIS QB 1 40 CYS QB . . 4.450 1.919 1.894 1.941 . 0 0 "[ . 1 . 2]" 1
473 1 13 CYS QB 1 36 GLN HA . . 4.140 2.803 2.740 2.846 . 0 0 "[ . 1 . 2]" 1
474 1 27 CYS QB 1 34 VAL QG . . 5.460 1.826 1.812 1.845 . 0 0 "[ . 1 . 2]" 1
475 1 27 CYS QB 1 33 GLN HA . . 4.810 3.271 3.120 3.366 . 0 0 "[ . 1 . 2]" 1
476 1 14 ILE QG 1 15 CYS QB . . 4.820 3.086 3.014 3.131 . 0 0 "[ . 1 . 2]" 1
477 1 40 CYS QB 1 41 VAL QG . . 5.180 2.889 2.786 2.953 . 0 0 "[ . 1 . 2]" 1
478 1 44 PRO QB 1 51 ALA MB . . 6.040 3.111 2.525 3.582 . 0 0 "[ . 1 . 2]" 1
479 1 11 VAL HB 1 18 THR HA . . 4.000 2.714 2.415 2.958 . 0 0 "[ . 1 . 2]" 1
480 1 11 VAL HB 1 18 THR MG . . 5.590 2.296 2.048 2.973 . 0 0 "[ . 1 . 2]" 1
481 1 11 VAL HB 1 18 THR HB . . 4.160 2.336 2.076 2.794 . 0 0 "[ . 1 . 2]" 1
482 1 11 VAL HB 1 24 MET ME . . 6.130 4.123 3.645 4.503 . 0 0 "[ . 1 . 2]" 1
483 1 26 GLN QG 1 33 GLN HA . . 4.630 2.799 2.726 2.862 . 0 0 "[ . 1 . 2]" 1
484 1 36 GLN QB 1 41 VAL QG . . 5.110 2.361 2.137 2.529 . 0 0 "[ . 1 . 2]" 1
485 1 25 ILE MD 1 36 GLN QB . . 5.410 5.018 4.871 5.090 . 0 0 "[ . 1 . 2]" 1
486 1 12 ARG QB 1 34 VAL HB . . 4.690 2.705 2.579 2.798 . 0 0 "[ . 1 . 2]" 1
487 1 46 LYS QB 1 49 GLU QB . . 4.940 2.683 2.245 3.817 . 0 0 "[ . 1 . 2]" 1
488 1 34 VAL QG 1 36 GLN QG . . 5.730 3.106 2.769 3.275 . 0 0 "[ . 1 . 2]" 1
489 1 60 GLU QG 1 61 LEU QD . . 5.460 2.141 1.941 2.999 . 0 0 "[ . 1 . 2]" 1
490 1 60 GLU QG 1 61 LEU HG . . 4.590 2.530 2.224 2.596 . 0 0 "[ . 1 . 2]" 1
491 1 14 ILE MG 1 60 GLU QG . . 5.720 4.656 3.616 5.155 . 0 0 "[ . 1 . 2]" 1
492 1 28 GLU QG 1 56 VAL HA . . 5.050 1.968 1.933 1.988 . 0 0 "[ . 1 . 2]" 1
493 1 58 TYR QB 1 63 ARG HA . . 4.540 3.230 3.114 3.517 . 0 0 "[ . 1 . 2]" 1
494 1 42 LEU QB 1 51 ALA MB . . 5.280 1.931 1.881 2.091 . 0 0 "[ . 1 . 2]" 1
495 1 66 ARG HA 1 66 ARG QD . . 4.700 3.363 2.593 4.085 . 0 0 "[ . 1 . 2]" 1
496 1 29 ASP QB 1 58 TYR QD . . 6.530 2.836 2.459 4.025 . 0 0 "[ . 1 . 2]" 1
497 1 29 ASP QB 1 32 CYS QB . . 4.120 1.927 1.881 1.948 . 0 0 "[ . 1 . 2]" 1
498 1 29 ASP QB 1 58 TYR QE . . 6.600 2.425 1.984 3.289 . 0 0 "[ . 1 . 2]" 1
499 1 54 PRO HA 1 55 PRO QD . . 4.050 2.119 2.090 2.145 . 0 0 "[ . 1 . 2]" 1
500 1 53 VAL QG 1 54 PRO QD . . 5.880 2.823 2.717 3.024 . 0 0 "[ . 1 . 2]" 1
501 1 42 LEU QD 1 54 PRO QD . . 5.530 3.182 2.963 3.718 . 0 0 "[ . 1 . 2]" 1
502 1 46 LYS QB 1 47 PRO QD . . 4.470 2.182 1.920 2.245 . 0 0 "[ . 1 . 2]" 1
503 1 25 ILE MG 1 54 PRO QD . . 5.810 5.594 5.473 5.638 . 0 0 "[ . 1 . 2]" 1
504 1 53 VAL HA 1 54 PRO QD . . 3.380 1.869 1.853 1.879 . 0 0 "[ . 1 . 2]" 1
505 1 44 PRO QD 1 51 ALA MB . . 5.800 2.688 2.393 2.876 . 0 0 "[ . 1 . 2]" 1
506 1 20 VAL QG 1 21 ASN HA . . 6.050 4.319 4.245 4.434 . 0 0 "[ . 1 . 2]" 1
507 1 44 PRO HA 1 51 ALA HA . . 4.340 2.102 1.969 2.282 . 0 0 "[ . 1 . 2]" 1
508 1 9 ALA HA 1 35 TRP HD1 . . 4.990 2.768 2.632 2.855 . 0 0 "[ . 1 . 2]" 1
509 1 6 GLN HA 1 7 PRO QD . . 3.890 2.077 1.956 2.094 . 0 0 "[ . 1 . 2]" 1
510 1 46 LYS HA 1 47 PRO QD . . 3.340 2.152 2.097 2.162 . 0 0 "[ . 1 . 2]" 1
511 1 24 MET HA 1 25 ILE HB . . 5.040 4.453 4.412 4.479 . 0 0 "[ . 1 . 2]" 1
512 1 24 MET ME 1 36 GLN HA . . 6.020 4.514 4.151 4.734 . 0 0 "[ . 1 . 2]" 1
513 1 11 VAL QG 1 36 GLN HA . . 5.550 3.163 2.929 3.402 . 0 0 "[ . 1 . 2]" 1
514 1 27 CYS HA 1 58 TYR HA . . 4.200 3.459 3.351 3.669 . 0 0 "[ . 1 . 2]" 1
515 1 29 ASP HA 1 58 TYR QD . . 7.050 4.738 4.512 5.550 . 0 0 "[ . 1 . 2]" 1
516 1 9 ALA MB 1 10 LYS HA . . 6.120 4.159 4.124 4.185 . 0 0 "[ . 1 . 2]" 1
517 1 10 LYS HA 1 11 VAL QG . . 5.940 3.604 3.521 3.678 . 0 0 "[ . 1 . 2]" 1
518 1 19 MET HA 1 20 VAL QG . . 5.830 3.428 3.272 3.540 . 0 0 "[ . 1 . 2]" 1
519 1 29 ASP HA 1 58 TYR QE . . 6.220 3.123 2.667 4.025 . 0 0 "[ . 1 . 2]" 1
520 1 52 GLU HA 1 53 VAL QG . . 6.870 3.582 3.457 3.682 . 0 0 "[ . 1 . 2]" 1
521 1 29 ASP HA 1 30 GLN HA . . 5.230 4.405 4.389 4.413 . 0 0 "[ . 1 . 2]" 1
522 1 26 GLN HA 1 35 TRP HA . . 3.690 1.987 1.972 1.998 . 0 0 "[ . 1 . 2]" 1
523 1 35 TRP HA 1 35 TRP HE3 . . 4.700 4.144 4.113 4.181 . 0 0 "[ . 1 . 2]" 1
524 1 26 GLN QG 1 35 TRP HA . . 5.170 3.861 3.671 4.011 . 0 0 "[ . 1 . 2]" 1
525 1 8 GLU HA 1 9 ALA MB . . 6.250 4.786 4.557 4.870 . 0 0 "[ . 1 . 2]" 1
526 1 64 LEU HA 1 67 ALA MB . . 6.130 3.889 2.108 5.143 . 0 0 "[ . 1 . 2]" 1
527 1 11 VAL QG 1 12 ARG HA . . 5.940 3.743 3.662 3.788 . 0 0 "[ . 1 . 2]" 1
528 1 12 ARG HA 1 18 THR MG . . 5.850 3.938 3.745 4.532 . 0 0 "[ . 1 . 2]" 1
529 1 17 SER HA 1 18 THR MG . . 6.100 3.722 3.552 3.817 . 0 0 "[ . 1 . 2]" 1
530 1 24 MET HA 1 37 HIS HA . . 3.830 2.437 2.344 2.519 . 0 0 "[ . 1 . 2]" 1
531 1 24 MET ME 1 37 HIS HA . . 5.420 4.230 3.801 4.622 . 0 0 "[ . 1 . 2]" 1
532 1 28 GLU HA 1 28 GLU QG . . 3.750 2.232 2.070 2.691 . 0 0 "[ . 1 . 2]" 1
533 1 13 CYS HA 1 36 GLN QG . . 4.260 2.861 2.658 3.150 . 0 0 "[ . 1 . 2]" 1
534 1 13 CYS HA 1 36 GLN HA . . 4.530 3.799 3.633 4.000 . 0 0 "[ . 1 . 2]" 1
535 1 13 CYS HA 1 36 GLN QB . . 4.520 3.607 3.448 3.780 . 0 0 "[ . 1 . 2]" 1
536 1 63 ARG HA 1 66 ARG QB . . 4.810 3.005 2.511 3.404 . 0 0 "[ . 1 . 2]" 1
537 1 25 ILE MG 1 38 LEU HA . . 6.170 2.708 2.420 2.891 . 0 0 "[ . 1 . 2]" 1
538 1 60 GLU HA 1 63 ARG QD . . 5.140 4.559 4.419 4.869 . 0 0 "[ . 1 . 2]" 1
539 1 25 ILE MD 1 38 LEU HA . . 5.020 4.357 4.216 4.532 . 0 0 "[ . 1 . 2]" 1
540 1 25 ILE HA 1 25 ILE QG . . 3.630 2.408 2.374 2.442 . 0 0 "[ . 1 . 2]" 1
541 1 42 LEU QD 1 53 VAL HA . . 5.290 2.301 1.951 2.988 . 0 0 "[ . 1 . 2]" 1
542 1 25 ILE HA 1 35 TRP HZ3 . . 4.670 4.547 4.426 4.666 . 0 0 "[ . 1 . 2]" 1
543 1 11 VAL QG 1 18 THR HA . . 4.600 1.966 1.893 2.113 . 0 0 "[ . 1 . 2]" 1
544 1 27 CYS HA 1 57 PHE QD . . 6.110 2.105 1.996 2.303 . 0 0 "[ . 1 . 2]" 1
545 1 20 VAL HA 1 24 MET ME . . 5.090 2.905 1.959 3.431 . 0 0 "[ . 1 . 2]" 1
546 1 44 PRO HA 1 51 ALA MB . . 5.290 3.667 3.302 3.876 . 0 0 "[ . 1 . 2]" 1
547 1 17 SER QB 1 37 HIS HE1 . . 4.440 1.983 1.972 2.055 . 0 0 "[ . 1 . 2]" 1
548 1 53 VAL QG 1 55 PRO HA . . 7.120 4.499 4.278 4.635 . 0 0 "[ . 1 . 2]" 1
549 1 11 VAL QG 1 18 THR HB . . 5.410 2.676 2.451 3.076 . 0 0 "[ . 1 . 2]" 1
550 1 28 GLU QB 1 58 TYR QE . . 6.780 2.599 1.923 2.981 . 0 0 "[ . 1 . 2]" 1
551 1 56 VAL QG 1 58 TYR QE . . 7.210 2.310 2.016 3.010 . 0 0 "[ . 1 . 2]" 1
552 1 56 VAL HB 1 58 TYR QE . . 7.070 4.367 2.429 5.881 . 0 0 "[ . 1 . 2]" 1
553 1 37 HIS HA 1 37 HIS HD2 . . 4.480 2.388 2.305 2.471 . 0 0 "[ . 1 . 2]" 1
554 1 24 MET ME 1 37 HIS HD2 . . 5.180 2.430 2.006 2.852 . 0 0 "[ . 1 . 2]" 1
555 1 20 VAL HA 1 37 HIS HD2 . . 5.070 4.858 4.115 5.080 0.010 18 0 "[ . 1 . 2]" 1
556 1 24 MET ME 1 35 TRP HE3 . . 6.010 3.851 3.252 4.868 . 0 0 "[ . 1 . 2]" 1
557 1 24 MET QB 1 35 TRP HE3 . . 4.230 2.347 2.074 2.536 . 0 0 "[ . 1 . 2]" 1
558 1 26 GLN QB 1 35 TRP HE3 . . 5.200 4.005 3.889 4.099 . 0 0 "[ . 1 . 2]" 1
559 1 9 ALA MB 1 35 TRP HD1 . . 5.120 4.022 3.884 4.153 . 0 0 "[ . 1 . 2]" 1
560 1 54 PRO QG 1 57 PHE QD . . 7.350 4.121 3.890 4.477 . 0 0 "[ . 1 . 2]" 1
561 1 56 VAL QG 1 58 TYR QD . . 8.210 2.917 2.476 3.742 . 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 17
_Distance_constraint_stats_list.Viol_count 297
_Distance_constraint_stats_list.Viol_total 1645.047
_Distance_constraint_stats_list.Viol_max 0.440
_Distance_constraint_stats_list.Viol_rms 0.1199
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2419
_Distance_constraint_stats_list.Viol_average_violations_only 0.2769
_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 13 CYS 10.030 0.328 14 0 "[ . 1 . 2]"
1 15 CYS 9.311 0.353 19 0 "[ . 1 . 2]"
1 27 CYS 12.753 0.430 12 0 "[ . 1 . 2]"
1 32 CYS 6.888 0.426 20 0 "[ . 1 . 2]"
1 37 HIS 9.212 0.325 18 0 "[ . 1 . 2]"
1 40 CYS 11.742 0.387 17 0 "[ . 1 . 2]"
1 59 CYS 10.197 0.390 20 0 "[ . 1 . 2]"
1 62 CYS 12.119 0.440 19 0 "[ . 1 . 2]"
2 1 ZN 40.295 0.387 17 0 "[ . 1 . 2]"
3 1 ZN 41.957 0.440 19 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 13 CYS SG 2 1 ZN ZN . . 2.200 2.417 2.408 2.430 0.230 19 0 "[ . 1 . 2]" 2
2 1 13 CYS CB 2 1 ZN ZN . . 3.100 3.385 3.328 3.428 0.328 14 0 "[ . 1 . 2]" 2
3 1 15 CYS SG 2 1 ZN ZN . . 2.200 2.335 2.273 2.403 0.203 20 0 "[ . 1 . 2]" 2
4 1 15 CYS CB 2 1 ZN ZN . . 3.100 3.430 3.404 3.453 0.353 19 0 "[ . 1 . 2]" 2
5 1 37 HIS ND1 2 1 ZN ZN . . 1.900 2.075 2.046 2.105 0.205 8 0 "[ . 1 . 2]" 2
6 1 37 HIS CG 2 1 ZN ZN . . 3.000 2.956 2.911 2.997 . 0 0 "[ . 1 . 2]" 2
7 1 37 HIS CE1 2 1 ZN ZN . . 2.790 3.075 3.036 3.115 0.325 18 0 "[ . 1 . 2]" 2
8 1 40 CYS SG 2 1 ZN ZN . . 2.200 2.425 2.403 2.458 0.258 16 0 "[ . 1 . 2]" 2
9 1 40 CYS CB 2 1 ZN ZN . . 3.100 3.462 3.432 3.487 0.387 17 0 "[ . 1 . 2]" 2
10 1 27 CYS SG 3 1 ZN ZN . . 2.200 2.425 2.398 2.444 0.244 7 0 "[ . 1 . 2]" 2
11 1 27 CYS CB 3 1 ZN ZN . . 3.100 3.512 3.477 3.530 0.430 12 0 "[ . 1 . 2]" 2
12 1 32 CYS SG 3 1 ZN ZN . . 2.200 2.544 2.507 2.626 0.426 20 0 "[ . 1 . 2]" 2
13 1 32 CYS CB 3 1 ZN ZN . . 3.100 3.047 2.994 3.088 . 0 0 "[ . 1 . 2]" 2
14 1 59 CYS SG 3 1 ZN ZN . . 2.200 2.408 2.110 2.483 0.283 19 0 "[ . 1 . 2]" 2
15 1 59 CYS CB 3 1 ZN ZN . . 3.100 3.392 3.332 3.490 0.390 20 0 "[ . 1 . 2]" 2
16 1 62 CYS SG 3 1 ZN ZN . . 2.200 2.409 2.300 2.434 0.234 20 0 "[ . 1 . 2]" 2
17 1 62 CYS CB 3 1 ZN ZN . . 3.100 3.497 3.465 3.540 0.440 19 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 32
_Distance_constraint_stats_list.Viol_count 617
_Distance_constraint_stats_list.Viol_total 1634.354
_Distance_constraint_stats_list.Viol_max 0.299
_Distance_constraint_stats_list.Viol_rms 0.0844
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1277
_Distance_constraint_stats_list.Viol_average_violations_only 0.1324
_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 10 LYS 1.830 0.087 7 0 "[ . 1 . 2]"
1 12 ARG 8.609 0.274 19 0 "[ . 1 . 2]"
1 23 SER 1.985 0.200 16 0 "[ . 1 . 2]"
1 25 ILE 4.601 0.190 3 0 "[ . 1 . 2]"
1 27 CYS 6.604 0.228 6 0 "[ . 1 . 2]"
1 28 GLU 4.163 0.171 14 0 "[ . 1 . 2]"
1 29 ASP 12.283 0.266 4 0 "[ . 1 . 2]"
1 32 CYS 3.464 0.201 4 0 "[ . 1 . 2]"
1 33 GLN 8.819 0.266 4 0 "[ . 1 . 2]"
1 34 VAL 6.604 0.228 6 0 "[ . 1 . 2]"
1 35 TRP 10.439 0.274 19 0 "[ . 1 . 2]"
1 36 GLN 4.601 0.190 3 0 "[ . 1 . 2]"
1 37 HIS 14.967 0.284 15 0 "[ . 1 . 2]"
1 38 LEU 1.985 0.200 16 0 "[ . 1 . 2]"
1 40 CYS 5.694 0.236 10 0 "[ . 1 . 2]"
1 41 VAL 9.273 0.284 15 0 "[ . 1 . 2]"
1 57 PHE 4.163 0.171 14 0 "[ . 1 . 2]"
1 59 CYS 2.718 0.196 19 0 "[ . 1 . 2]"
1 60 GLU 3.768 0.203 6 0 "[ . 1 . 2]"
1 61 LEU 9.276 0.299 20 0 "[ . 1 . 2]"
1 62 CYS 5.203 0.262 8 0 "[ . 1 . 2]"
1 63 ARG 8.429 0.250 12 0 "[ . 1 . 2]"
1 64 LEU 3.768 0.203 6 0 "[ . 1 . 2]"
1 65 SER 9.276 0.299 20 0 "[ . 1 . 2]"
1 66 ARG 5.203 0.262 8 0 "[ . 1 . 2]"
1 67 ALA 5.711 0.250 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 12 ARG H 1 35 TRP O . . 1.800 2.048 2.031 2.074 0.274 19 0 "[ . 1 . 2]" 3
2 1 12 ARG N 1 35 TRP O . . 2.700 2.883 2.829 2.957 0.257 19 0 "[ . 1 . 2]" 3
3 1 25 ILE H 1 36 GLN O . . 1.800 1.919 1.822 1.990 0.190 3 0 "[ . 1 . 2]" 3
4 1 25 ILE N 1 36 GLN O . . 2.700 2.760 2.692 2.814 0.114 16 0 "[ . 1 . 2]" 3
5 1 27 CYS H 1 34 VAL O . . 1.800 2.011 1.967 2.028 0.228 6 0 "[ . 1 . 2]" 3
6 1 27 CYS N 1 34 VAL O . . 2.700 2.819 2.743 2.850 0.150 16 0 "[ . 1 . 2]" 3
7 1 28 GLU H 1 57 PHE O . . 1.800 1.925 1.866 1.971 0.171 14 0 "[ . 1 . 2]" 3
8 1 28 GLU N 1 57 PHE O . . 2.700 2.783 2.737 2.822 0.122 13 0 "[ . 1 . 2]" 3
9 1 29 ASP O 1 32 CYS H . . 1.800 1.897 1.851 2.001 0.201 4 0 "[ . 1 . 2]" 3
10 1 29 ASP O 1 32 CYS N . . 2.700 2.776 2.743 2.883 0.183 4 0 "[ . 1 . 2]" 3
11 1 29 ASP O 1 33 GLN H . . 1.800 2.009 1.935 2.030 0.230 16 0 "[ . 1 . 2]" 3
12 1 29 ASP O 1 33 GLN N . . 2.700 2.931 2.852 2.966 0.266 4 0 "[ . 1 . 2]" 3
13 1 10 LYS O 1 35 TRP H . . 1.800 1.855 1.815 1.887 0.087 7 0 "[ . 1 . 2]" 3
14 1 10 LYS O 1 35 TRP N . . 2.700 2.737 2.721 2.746 0.046 3 0 "[ . 1 . 2]" 3
15 1 25 ILE O 1 36 GLN H . . 1.800 1.806 1.782 1.913 0.113 7 0 "[ . 1 . 2]" 3
16 1 25 ILE O 1 36 GLN N . . 2.700 2.739 2.725 2.785 0.085 7 0 "[ . 1 . 2]" 3
17 1 23 SER O 1 38 LEU H . . 1.800 1.860 1.793 2.000 0.200 16 0 "[ . 1 . 2]" 3
18 1 23 SER O 1 38 LEU N . . 2.700 2.739 2.713 2.846 0.146 16 0 "[ . 1 . 2]" 3
19 1 37 HIS O 1 40 CYS H . . 1.800 2.011 1.930 2.036 0.236 10 0 "[ . 1 . 2]" 3
20 1 37 HIS O 1 40 CYS N . . 2.700 2.774 2.739 2.825 0.125 18 0 "[ . 1 . 2]" 3
21 1 37 HIS O 1 41 VAL H . . 1.800 2.054 2.033 2.084 0.284 15 0 "[ . 1 . 2]" 3
22 1 37 HIS O 1 41 VAL N . . 2.700 2.910 2.877 2.941 0.241 10 0 "[ . 1 . 2]" 3
23 1 59 CYS O 1 63 ARG H . . 1.800 1.886 1.798 1.996 0.196 19 0 "[ . 1 . 2]" 3
24 1 59 CYS O 1 63 ARG N . . 2.700 2.749 2.714 2.873 0.173 19 0 "[ . 1 . 2]" 3
25 1 60 GLU O 1 64 LEU H . . 1.800 1.864 1.785 1.998 0.198 6 0 "[ . 1 . 2]" 3
26 1 60 GLU O 1 64 LEU N . . 2.700 2.823 2.718 2.903 0.203 6 0 "[ . 1 . 2]" 3
27 1 61 LEU O 1 65 SER H . . 1.800 2.025 2.001 2.076 0.276 17 0 "[ . 1 . 2]" 3
28 1 61 LEU O 1 65 SER N . . 2.700 2.939 2.814 2.999 0.299 20 0 "[ . 1 . 2]" 3
29 1 62 CYS O 1 66 ARG H . . 1.800 2.015 1.990 2.062 0.262 8 0 "[ . 1 . 2]" 3
30 1 62 CYS O 1 66 ARG N . . 2.700 2.745 2.710 2.820 0.120 11 0 "[ . 1 . 2]" 3
31 1 63 ARG O 1 67 ALA H . . 1.800 2.013 1.976 2.050 0.250 12 0 "[ . 1 . 2]" 3
32 1 63 ARG O 1 67 ALA N . . 2.700 2.772 2.705 2.913 0.213 19 0 "[ . 1 . 2]" 3
stop_
save_
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