NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
407132 |
1y1b   |
6386 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1y1b
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 665
_Distance_constraint_stats_list.Viol_count 1244
_Distance_constraint_stats_list.Viol_total 1774.658
_Distance_constraint_stats_list.Viol_max 0.341
_Distance_constraint_stats_list.Viol_rms 0.0282
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0067
_Distance_constraint_stats_list.Viol_average_violations_only 0.0713
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 PRO 0.895 0.158 9 0 "[ . 1 . 2]"
1 3 ASP 2.451 0.249 3 0 "[ . 1 . 2]"
1 4 CYS 2.263 0.251 19 0 "[ . 1 . 2]"
1 5 PRO 0.430 0.148 20 0 "[ . 1 . 2]"
1 6 LEU 0.577 0.148 20 0 "[ . 1 . 2]"
1 7 ILE 0.958 0.102 2 0 "[ . 1 . 2]"
1 8 CYS 5.272 0.176 8 0 "[ . 1 . 2]"
1 9 THR 1.344 0.140 13 0 "[ . 1 . 2]"
1 10 MET 0.722 0.104 13 0 "[ . 1 . 2]"
1 11 GLN 1.901 0.159 11 0 "[ . 1 . 2]"
1 12 TYR 3.408 0.159 11 0 "[ . 1 . 2]"
1 13 ASP 2.943 0.142 13 0 "[ . 1 . 2]"
1 14 PRO 3.205 0.242 15 0 "[ . 1 . 2]"
1 15 VAL 12.613 0.274 13 0 "[ . 1 . 2]"
1 16 CYS 10.004 0.274 13 0 "[ . 1 . 2]"
1 17 GLY 3.897 0.204 7 0 "[ . 1 . 2]"
1 18 SER 0.466 0.112 5 0 "[ . 1 . 2]"
1 19 ASP 3.608 0.204 7 0 "[ . 1 . 2]"
1 20 GLY 0.620 0.042 1 0 "[ . 1 . 2]"
1 21 ILE 0.856 0.083 11 0 "[ . 1 . 2]"
1 22 THR 0.389 0.050 4 0 "[ . 1 . 2]"
1 23 TYR 9.677 0.235 3 0 "[ . 1 . 2]"
1 24 GLY 1.211 0.178 12 0 "[ . 1 . 2]"
1 25 ASN 13.761 0.242 15 0 "[ . 1 . 2]"
1 26 ALA 0.370 0.066 7 0 "[ . 1 . 2]"
1 27 CYS 6.403 0.176 8 0 "[ . 1 . 2]"
1 28 MET 7.463 0.235 3 0 "[ . 1 . 2]"
1 29 LEU 11.282 0.341 3 0 "[ . 1 . 2]"
1 30 LEU 6.307 0.267 17 0 "[ . 1 . 2]"
1 31 GLY 1.714 0.142 15 0 "[ . 1 . 2]"
1 32 ALA 2.100 0.081 7 0 "[ . 1 . 2]"
1 33 SER 4.603 0.124 11 0 "[ . 1 . 2]"
1 34 CYS 3.686 0.249 3 0 "[ . 1 . 2]"
1 35 ARG 1.328 0.136 7 0 "[ . 1 . 2]"
1 36 SER 2.124 0.146 9 0 "[ . 1 . 2]"
1 37 ASP 0.451 0.146 9 0 "[ . 1 . 2]"
1 38 THR 1.114 0.200 11 0 "[ . 1 . 2]"
1 39 PRO 0.503 0.247 11 0 "[ . 1 . 2]"
1 40 ILE 5.817 0.310 11 0 "[ . 1 . 2]"
1 41 GLU 0.466 0.112 5 0 "[ . 1 . 2]"
1 42 LEU 7.170 0.256 19 0 "[ . 1 . 2]"
1 43 VAL 1.913 0.095 13 0 "[ . 1 . 2]"
1 44 HIS 2.376 0.114 15 0 "[ . 1 . 2]"
1 45 LYS 0.065 0.052 14 0 "[ . 1 . 2]"
1 46 GLY 0.739 0.064 11 0 "[ . 1 . 2]"
1 47 ARG 0.301 0.041 19 0 "[ . 1 . 2]"
1 48 CYS 3.062 0.109 6 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 LYS HA 1 2 PRO QD 2.000 . 4.500 2.276 1.862 3.514 . 0 0 "[ . 1 . 2]" 1
2 1 2 PRO HA 1 3 ASP H 2.000 . 2.700 2.707 2.426 2.858 0.158 9 0 "[ . 1 . 2]" 1
3 1 2 PRO HA 1 3 ASP QB 2.000 . 6.000 4.459 3.752 5.260 . 0 0 "[ . 1 . 2]" 1
4 1 2 PRO QB 1 3 ASP H 2.000 . 6.000 2.561 1.855 3.975 . 0 0 "[ . 1 . 2]" 1
5 1 2 PRO QG 1 3 ASP H 2.000 . 4.500 3.897 3.588 4.094 . 0 0 "[ . 1 . 2]" 1
6 1 1 LYS QG 1 2 PRO QD 2.000 . 7.000 3.622 2.103 4.377 . 0 0 "[ . 1 . 2]" 1
7 1 3 ASP HA 1 4 CYS H 2.000 . 2.700 2.545 2.134 2.821 0.121 6 0 "[ . 1 . 2]" 1
8 1 3 ASP HA 1 34 CYS H 2.000 . 5.000 4.975 4.646 5.249 0.249 3 0 "[ . 1 . 2]" 1
9 1 3 ASP H 1 3 ASP QB 2.000 . 4.100 2.802 2.060 3.454 . 0 0 "[ . 1 . 2]" 1
10 1 3 ASP QB 1 4 CYS H 2.000 . 6.000 2.982 1.842 3.996 . 0 0 "[ . 1 . 2]" 1
11 1 3 ASP QB 1 30 LEU QD 2.000 . 8.400 4.301 1.960 5.184 . 0 0 "[ . 1 . 2]" 1
12 1 4 CYS HA 1 5 PRO QD 2.000 . 4.500 2.092 1.794 3.526 0.006 20 0 "[ . 1 . 2]" 1
13 1 4 CYS HA 1 5 PRO QG 2.000 . 6.000 4.015 3.711 5.301 . 0 0 "[ . 1 . 2]" 1
14 1 4 CYS HA 1 30 LEU QB 2.000 . 6.000 3.306 2.128 5.352 . 0 0 "[ . 1 . 2]" 1
15 1 4 CYS HA 1 30 LEU HG 2.000 . 5.000 4.974 3.883 5.251 0.251 19 0 "[ . 1 . 2]" 1
16 1 4 CYS HA 1 30 LEU QD 2.000 . 7.400 3.639 2.440 4.413 . 0 0 "[ . 1 . 2]" 1
17 1 4 CYS HA 1 34 CYS QB 2.000 . 6.000 2.768 1.653 3.685 0.147 8 0 "[ . 1 . 2]" 1
18 1 4 CYS HA 1 34 CYS H 2.000 . 5.000 4.379 3.437 5.186 0.186 17 0 "[ . 1 . 2]" 1
19 1 4 CYS H 1 4 CYS QB 2.000 . 3.300 2.699 2.190 3.029 . 0 0 "[ . 1 . 2]" 1
20 1 4 CYS QB 1 34 CYS H 2.000 . 6.000 4.968 3.243 5.463 . 0 0 "[ . 1 . 2]" 1
21 1 3 ASP H 1 4 CYS H 2.000 . 5.000 3.946 2.141 4.543 . 0 0 "[ . 1 . 2]" 1
22 1 4 CYS H 1 30 LEU HB2 2.000 . 5.000 4.783 2.743 5.064 0.064 15 0 "[ . 1 . 2]" 1
23 1 5 PRO HA 1 6 LEU H 2.000 . 2.700 2.564 2.143 2.848 0.148 20 0 "[ . 1 . 2]" 1
24 1 5 PRO HA 1 7 ILE H 2.000 . 5.000 4.722 4.017 5.029 0.029 2 0 "[ . 1 . 2]" 1
25 1 5 PRO QB 1 31 GLY H 2.000 . 6.000 4.621 3.184 5.388 . 0 0 "[ . 1 . 2]" 1
26 1 5 PRO QB 1 6 LEU H 2.000 . 4.500 2.412 1.837 3.979 . 0 0 "[ . 1 . 2]" 1
27 1 5 PRO QB 1 7 ILE H 2.000 . 6.000 3.312 2.765 4.414 . 0 0 "[ . 1 . 2]" 1
28 1 4 CYS H 1 5 PRO QD 2.000 . 6.000 4.073 1.805 4.395 . 0 0 "[ . 1 . 2]" 1
29 1 5 PRO QD 1 30 LEU QD 2.000 . 8.400 3.269 1.753 4.317 0.047 16 0 "[ . 1 . 2]" 1
30 1 5 PRO QG 1 6 LEU H 2.000 . 6.000 3.877 3.433 4.754 . 0 0 "[ . 1 . 2]" 1
31 1 5 PRO QB 1 6 LEU HA 2.000 . 6.000 4.200 3.820 5.340 . 0 0 "[ . 1 . 2]" 1
32 1 5 PRO QG 1 6 LEU HA 2.000 . 6.000 4.625 4.125 5.247 . 0 0 "[ . 1 . 2]" 1
33 1 6 LEU HA 1 7 ILE QG 2.000 . 6.000 3.878 3.500 4.584 . 0 0 "[ . 1 . 2]" 1
34 1 6 LEU HA 1 7 ILE MG 2.000 . 6.500 5.417 5.381 5.468 . 0 0 "[ . 1 . 2]" 1
35 1 6 LEU HA 1 7 ILE H 2.000 . 2.700 2.607 2.354 2.761 0.061 3 0 "[ . 1 . 2]" 1
36 1 6 LEU H 1 6 LEU QB 2.000 . 4.100 2.817 2.284 3.353 . 0 0 "[ . 1 . 2]" 1
37 1 6 LEU QB 1 7 ILE H 2.000 . 4.500 3.928 3.850 4.033 . 0 0 "[ . 1 . 2]" 1
38 1 6 LEU QD 1 7 ILE H 2.000 . 7.400 4.260 3.696 4.628 . 0 0 "[ . 1 . 2]" 1
39 1 6 LEU HG 1 7 ILE H 2.000 . 5.000 4.695 4.101 4.992 . 0 0 "[ . 1 . 2]" 1
40 1 6 LEU H 1 7 ILE H 2.000 . 3.500 2.909 1.919 3.590 0.090 13 0 "[ . 1 . 2]" 1
41 1 7 ILE HA 1 8 CYS HA 2.000 . 5.000 4.435 4.381 4.487 . 0 0 "[ . 1 . 2]" 1
42 1 7 ILE HA 1 8 CYS H 2.000 . 2.700 2.233 2.156 2.373 . 0 0 "[ . 1 . 2]" 1
43 1 7 ILE H 1 7 ILE HB 2.000 . 3.500 3.518 3.335 3.602 0.102 2 0 "[ . 1 . 2]" 1
44 1 7 ILE HB 1 8 CYS H 2.000 . 5.000 4.369 3.774 4.531 . 0 0 "[ . 1 . 2]" 1
45 1 7 ILE H 1 7 ILE MD 2.000 . 6.500 3.679 2.752 4.550 . 0 0 "[ . 1 . 2]" 1
46 1 7 ILE H 1 7 ILE QG 2.000 . 4.100 2.794 2.321 3.401 . 0 0 "[ . 1 . 2]" 1
47 1 7 ILE QG 1 8 CYS H 2.000 . 6.000 4.224 3.435 4.799 . 0 0 "[ . 1 . 2]" 1
48 1 7 ILE H 1 7 ILE MG 2.000 . 5.000 4.065 3.935 4.128 . 0 0 "[ . 1 . 2]" 1
49 1 7 ILE MG 1 9 THR H 2.000 . 5.500 4.342 3.799 4.571 . 0 0 "[ . 1 . 2]" 1
50 1 8 CYS HA 1 8 CYS HB3 2.000 . 2.700 2.852 2.832 2.866 0.166 1 0 "[ . 1 . 2]" 1
51 1 8 CYS HA 1 9 THR MG 2.000 . 6.500 4.192 3.867 4.534 . 0 0 "[ . 1 . 2]" 1
52 1 8 CYS HA 1 9 THR H 2.000 . 3.500 3.450 2.698 3.554 0.054 6 0 "[ . 1 . 2]" 1
53 1 8 CYS HA 1 27 CYS HB3 2.000 . 5.000 4.372 4.284 4.596 . 0 0 "[ . 1 . 2]" 1
54 1 8 CYS HA 1 27 CYS HB2 2.000 . 5.000 5.036 4.736 5.176 0.176 8 0 "[ . 1 . 2]" 1
55 1 8 CYS H 1 8 CYS HB2 2.000 . 2.700 2.297 2.138 2.715 0.015 20 0 "[ . 1 . 2]" 1
56 1 8 CYS HB2 1 9 THR H 2.000 . 3.500 2.932 2.734 3.497 . 0 0 "[ . 1 . 2]" 1
57 1 8 CYS HB2 1 25 ASN QD 2.000 . 6.000 4.974 4.086 5.307 . 0 0 "[ . 1 . 2]" 1
58 1 8 CYS HB2 1 27 CYS H 2.000 . 5.000 4.813 4.445 5.044 0.044 8 0 "[ . 1 . 2]" 1
59 1 8 CYS H 1 8 CYS HB3 2.000 . 3.500 3.230 3.172 3.379 . 0 0 "[ . 1 . 2]" 1
60 1 8 CYS HB3 1 9 THR H 2.000 . 3.500 1.902 1.660 2.154 0.140 13 0 "[ . 1 . 2]" 1
61 1 8 CYS HB3 1 25 ASN QD 2.000 . 6.000 4.203 3.468 4.556 . 0 0 "[ . 1 . 2]" 1
62 1 8 CYS HB3 1 27 CYS H 2.000 . 5.000 4.787 4.448 4.930 . 0 0 "[ . 1 . 2]" 1
63 1 8 CYS HB3 1 28 MET QG 2.000 . 5.000 4.580 4.336 4.690 . 0 0 "[ . 1 . 2]" 1
64 1 7 ILE H 1 8 CYS H 2.000 . 5.000 3.627 3.218 4.391 . 0 0 "[ . 1 . 2]" 1
65 1 8 CYS H 1 9 THR H 2.000 . 5.000 3.140 2.805 4.282 . 0 0 "[ . 1 . 2]" 1
66 1 9 THR HA 1 10 MET H 2.000 . 3.500 2.546 2.164 3.523 0.023 12 0 "[ . 1 . 2]" 1
67 1 9 THR HA 1 10 MET QB 2.000 . 6.000 4.381 3.986 4.816 . 0 0 "[ . 1 . 2]" 1
68 1 9 THR HA 1 25 ASN QD 2.000 . 6.000 5.147 4.228 5.421 . 0 0 "[ . 1 . 2]" 1
69 1 9 THR H 1 9 THR HB 2.000 . 3.500 3.432 2.785 3.593 0.093 3 0 "[ . 1 . 2]" 1
70 1 9 THR HB 1 10 MET H 2.000 . 5.000 3.600 3.241 4.059 . 0 0 "[ . 1 . 2]" 1
71 1 9 THR HB 1 11 GLN H 2.000 . 5.000 4.072 2.358 5.064 0.064 13 0 "[ . 1 . 2]" 1
72 1 8 CYS H 1 9 THR MG 2.000 . 6.500 4.983 4.618 5.367 . 0 0 "[ . 1 . 2]" 1
73 1 9 THR H 1 9 THR MG 2.000 . 3.800 2.504 1.858 3.155 . 0 0 "[ . 1 . 2]" 1
74 1 9 THR MG 1 10 MET H 2.000 . 5.500 3.276 2.020 3.920 . 0 0 "[ . 1 . 2]" 1
75 1 9 THR MG 1 11 GLN H 2.000 . 5.500 2.512 1.880 4.061 . 0 0 "[ . 1 . 2]" 1
76 1 9 THR MG 1 11 GLN QB 2.000 . 7.500 2.540 1.806 5.601 . 0 0 "[ . 1 . 2]" 1
77 1 9 THR MG 1 25 ASN HD21 2.000 . 6.500 3.453 2.932 4.351 . 0 0 "[ . 1 . 2]" 1
78 1 9 THR MG 1 25 ASN HD22 2.000 . 6.500 3.466 2.522 4.401 . 0 0 "[ . 1 . 2]" 1
79 1 9 THR MG 1 27 CYS H 2.000 . 6.500 5.255 4.822 5.455 . 0 0 "[ . 1 . 2]" 1
80 1 10 MET HA 1 11 GLN H 2.000 . 3.500 3.044 2.734 3.531 0.031 4 0 "[ . 1 . 2]" 1
81 1 10 MET HA 1 25 ASN HD21 2.000 . 4.000 3.770 2.471 4.104 0.104 13 0 "[ . 1 . 2]" 1
82 1 10 MET HA 1 25 ASN HD22 2.000 . 4.000 3.700 2.449 4.096 0.096 13 0 "[ . 1 . 2]" 1
83 1 10 MET H 1 10 MET QB 2.000 . 3.300 2.553 2.169 3.047 . 0 0 "[ . 1 . 2]" 1
84 1 10 MET QB 1 11 GLN H 2.000 . 4.500 3.691 2.523 3.999 . 0 0 "[ . 1 . 2]" 1
85 1 10 MET H 1 10 MET QG 2.000 . 5.600 3.016 1.974 4.055 . 0 0 "[ . 1 . 2]" 1
86 1 11 GLN HA 1 12 TYR H 2.000 . 3.500 2.677 2.376 3.560 0.060 12 0 "[ . 1 . 2]" 1
87 1 11 GLN H 1 11 GLN QB 2.000 . 3.300 2.247 2.080 2.648 . 0 0 "[ . 1 . 2]" 1
88 1 11 GLN QB 1 12 TYR H 2.000 . 4.500 3.511 1.807 3.992 . 0 0 "[ . 1 . 2]" 1
89 1 11 GLN H 1 11 GLN QG 2.000 . 5.600 3.264 2.113 4.081 . 0 0 "[ . 1 . 2]" 1
90 1 11 GLN QG 1 12 TYR H 2.000 . 6.000 4.219 3.221 4.765 . 0 0 "[ . 1 . 2]" 1
91 1 10 MET H 1 11 GLN H 2.000 . 2.700 2.528 2.131 2.792 0.092 13 0 "[ . 1 . 2]" 1
92 1 11 GLN H 1 12 TYR H 2.000 . 3.500 3.546 2.888 3.659 0.159 11 0 "[ . 1 . 2]" 1
93 1 12 TYR HA 1 13 ASP H 2.000 . 2.700 2.176 2.123 2.238 . 0 0 "[ . 1 . 2]" 1
94 1 12 TYR H 1 12 TYR HB3 2.000 . 3.500 3.498 3.331 3.633 0.133 12 0 "[ . 1 . 2]" 1
95 1 12 TYR H 1 12 TYR HB2 2.000 . 3.500 2.381 2.181 3.103 . 0 0 "[ . 1 . 2]" 1
96 1 12 TYR HB3 1 13 ASP H 2.000 . 4.000 4.069 4.000 4.142 0.142 13 0 "[ . 1 . 2]" 1
97 1 12 TYR HB2 1 13 ASP H 2.000 . 5.000 4.626 4.599 4.643 . 0 0 "[ . 1 . 2]" 1
98 1 12 TYR H 1 12 TYR QD 2.000 . 5.900 3.233 2.817 4.362 . 0 0 "[ . 1 . 2]" 1
99 1 12 TYR QD 1 13 ASP H 2.000 . 5.900 4.069 3.015 4.449 . 0 0 "[ . 1 . 2]" 1
100 1 12 TYR H 1 12 TYR QE 2.000 . 7.400 5.413 5.122 6.351 . 0 0 "[ . 1 . 2]" 1
101 1 12 TYR QE 1 13 ASP H 2.000 . 7.400 5.645 5.105 5.915 . 0 0 "[ . 1 . 2]" 1
102 1 12 TYR QE 1 22 THR MG 2.000 . 8.400 5.633 4.859 6.245 . 0 0 "[ . 1 . 2]" 1
103 1 12 TYR QE 1 24 GLY H 2.000 . 7.400 6.000 4.693 6.780 . 0 0 "[ . 1 . 2]" 1
104 1 13 ASP HA 1 14 PRO QD 2.000 . 3.700 2.058 1.978 2.210 . 0 0 "[ . 1 . 2]" 1
105 1 13 ASP HA 1 14 PRO QG 2.000 . 4.500 3.747 3.695 3.831 . 0 0 "[ . 1 . 2]" 1
106 1 13 ASP H 1 13 ASP HB2 2.000 . 3.500 2.668 2.511 2.982 . 0 0 "[ . 1 . 2]" 1
107 1 13 ASP HB2 1 26 ALA H 2.000 . 5.000 4.848 4.427 5.020 0.020 13 0 "[ . 1 . 2]" 1
108 1 13 ASP H 1 13 ASP HB3 2.000 . 3.500 3.191 2.857 3.341 . 0 0 "[ . 1 . 2]" 1
109 1 13 ASP HB3 1 26 ALA H 2.000 . 5.000 3.562 3.187 3.980 . 0 0 "[ . 1 . 2]" 1
110 1 12 TYR QD 1 14 PRO HA 2.000 . 7.400 5.220 4.191 5.813 . 0 0 "[ . 1 . 2]" 1
111 1 12 TYR QE 1 14 PRO HA 2.000 . 7.400 5.656 4.746 6.144 . 0 0 "[ . 1 . 2]" 1
112 1 14 PRO HA 1 15 VAL MG1 2.000 . 5.000 4.020 3.792 4.098 . 0 0 "[ . 1 . 2]" 1
113 1 14 PRO HA 1 15 VAL MG2 2.000 . 6.500 3.756 3.489 4.005 . 0 0 "[ . 1 . 2]" 1
114 1 14 PRO HA 1 15 VAL HA 2.000 . 5.000 4.403 4.369 4.477 . 0 0 "[ . 1 . 2]" 1
115 1 14 PRO HA 1 15 VAL H 2.000 . 2.700 2.178 2.103 2.319 . 0 0 "[ . 1 . 2]" 1
116 1 14 PRO HA 1 22 THR MG 2.000 . 5.000 3.163 2.719 3.592 . 0 0 "[ . 1 . 2]" 1
117 1 14 PRO HA 1 24 GLY QA 2.000 . 6.000 2.749 2.438 3.071 . 0 0 "[ . 1 . 2]" 1
118 1 14 PRO HA 1 25 ASN HA 2.000 . 5.000 3.853 3.493 4.214 . 0 0 "[ . 1 . 2]" 1
119 1 14 PRO HA 1 25 ASN H 2.000 . 3.800 3.958 3.877 4.042 0.242 15 0 "[ . 1 . 2]" 1
120 1 12 TYR QE 1 14 PRO QB 2.000 . 8.400 4.268 3.423 4.862 . 0 0 "[ . 1 . 2]" 1
121 1 12 TYR QD 1 14 PRO QB 2.000 . 8.400 4.200 3.379 4.977 . 0 0 "[ . 1 . 2]" 1
122 1 13 ASP HA 1 14 PRO QB 2.000 . 6.000 4.854 4.817 4.932 . 0 0 "[ . 1 . 2]" 1
123 1 14 PRO QB 1 15 VAL H 2.000 . 4.500 3.619 3.415 3.834 . 0 0 "[ . 1 . 2]" 1
124 1 14 PRO QB 1 23 TYR H 2.000 . 6.000 5.067 4.843 5.327 . 0 0 "[ . 1 . 2]" 1
125 1 14 PRO QB 1 22 THR MG 2.000 . 6.000 2.220 1.750 2.573 0.050 4 0 "[ . 1 . 2]" 1
126 1 12 TYR QD 1 14 PRO QD 2.000 . 8.400 2.586 1.904 3.321 . 0 0 "[ . 1 . 2]" 1
127 1 12 TYR QE 1 14 PRO QD 2.000 . 8.400 3.994 3.379 4.307 . 0 0 "[ . 1 . 2]" 1
128 1 13 ASP H 1 14 PRO QD 2.000 . 4.500 2.807 2.333 3.001 . 0 0 "[ . 1 . 2]" 1
129 1 13 ASP QB 1 14 PRO QD 2.000 . 8.400 3.799 3.742 3.833 . 0 0 "[ . 1 . 2]" 1
130 1 12 TYR QE 1 14 PRO QG 2.000 . 6.900 3.964 2.439 4.835 . 0 0 "[ . 1 . 2]" 1
131 1 14 PRO QG 1 22 THR MG 2.000 . 7.500 3.760 3.309 4.134 . 0 0 "[ . 1 . 2]" 1
132 1 14 PRO QB 1 15 VAL HA 2.000 . 6.000 4.282 4.178 4.441 . 0 0 "[ . 1 . 2]" 1
133 1 14 PRO QG 1 15 VAL HA 2.000 . 6.000 5.235 5.065 5.273 . 0 0 "[ . 1 . 2]" 1
134 1 15 VAL HA 1 16 CYS HB2 2.000 . 5.000 4.050 4.029 4.077 . 0 0 "[ . 1 . 2]" 1
135 1 15 VAL HA 1 16 CYS HB3 2.000 . 5.000 5.249 5.222 5.274 0.274 13 0 "[ . 1 . 2]" 1
136 1 15 VAL HA 1 16 CYS HA 2.000 . 5.000 4.320 4.303 4.341 . 0 0 "[ . 1 . 2]" 1
137 1 15 VAL HA 1 16 CYS H 2.000 . 2.700 2.103 2.079 2.143 . 0 0 "[ . 1 . 2]" 1
138 1 15 VAL HA 1 22 THR HA 2.000 . 5.000 4.845 4.552 5.033 0.033 7 0 "[ . 1 . 2]" 1
139 1 15 VAL HA 1 22 THR MG 2.000 . 6.500 3.871 3.559 4.125 . 0 0 "[ . 1 . 2]" 1
140 1 15 VAL HA 1 23 TYR H 2.000 . 5.000 4.886 4.487 5.030 0.030 7 0 "[ . 1 . 2]" 1
141 1 12 TYR HA 1 25 ASN QB 2.000 . 6.000 4.705 3.831 5.479 . 0 0 "[ . 1 . 2]" 1
142 1 15 VAL HA 1 45 LYS HA 2.000 . 3.000 2.527 1.976 2.952 . 0 0 "[ . 1 . 2]" 1
143 1 15 VAL HA 1 45 LYS QB 2.000 . 6.000 4.274 3.760 4.682 . 0 0 "[ . 1 . 2]" 1
144 1 15 VAL HA 1 45 LYS H 2.000 . 5.000 4.852 4.604 5.013 0.013 9 0 "[ . 1 . 2]" 1
145 1 15 VAL HA 1 46 GLY H 2.000 . 3.500 2.167 1.937 2.353 . 0 0 "[ . 1 . 2]" 1
146 1 15 VAL H 1 15 VAL HB 2.000 . 3.500 3.699 3.639 3.741 0.241 3 0 "[ . 1 . 2]" 1
147 1 15 VAL HB 1 42 LEU HG 2.000 . 3.500 3.553 3.526 3.586 0.086 11 0 "[ . 1 . 2]" 1
148 1 15 VAL HB 1 42 LEU QD 2.000 . 7.400 1.724 1.673 1.814 0.127 3 0 "[ . 1 . 2]" 1
149 1 15 VAL H 1 15 VAL MG1 2.000 . 5.500 2.848 2.446 3.133 . 0 0 "[ . 1 . 2]" 1
150 1 15 VAL MG1 1 25 ASN HA 2.000 . 5.500 3.056 2.523 3.396 . 0 0 "[ . 1 . 2]" 1
151 1 15 VAL MG1 1 26 ALA H 2.000 . 5.500 2.685 2.191 2.970 . 0 0 "[ . 1 . 2]" 1
152 1 15 VAL MG1 1 26 ALA MB 2.000 . 6.500 2.874 2.268 3.248 . 0 0 "[ . 1 . 2]" 1
153 1 15 VAL MG1 1 27 CYS H 2.000 . 6.500 5.064 4.565 5.242 . 0 0 "[ . 1 . 2]" 1
154 1 13 ASP H 1 15 VAL QG 2.000 . 7.400 4.655 4.457 4.794 . 0 0 "[ . 1 . 2]" 1
155 1 15 VAL H 1 15 VAL MG2 2.000 . 5.500 2.008 1.844 2.211 . 0 0 "[ . 1 . 2]" 1
156 1 15 VAL QG 1 16 CYS H 2.000 . 7.400 3.490 3.423 3.571 . 0 0 "[ . 1 . 2]" 1
157 1 15 VAL QG 1 17 GLY H 2.000 . 7.400 4.319 3.933 4.858 . 0 0 "[ . 1 . 2]" 1
158 1 15 VAL QG 1 23 TYR H 2.000 . 7.400 3.222 2.950 3.524 . 0 0 "[ . 1 . 2]" 1
159 1 15 VAL QG 1 23 TYR QD 2.000 . 8.400 2.837 2.361 3.162 . 0 0 "[ . 1 . 2]" 1
160 1 15 VAL QG 1 25 ASN H 2.000 . 7.400 3.339 3.021 3.688 . 0 0 "[ . 1 . 2]" 1
161 1 15 VAL MG2 1 25 ASN HA 2.000 . 5.500 2.767 2.360 3.225 . 0 0 "[ . 1 . 2]" 1
162 1 15 VAL MG2 1 26 ALA H 2.000 . 5.500 2.428 2.045 2.880 . 0 0 "[ . 1 . 2]" 1
163 1 15 VAL MG2 1 26 ALA MB 2.000 . 6.000 2.415 1.858 2.900 . 0 0 "[ . 1 . 2]" 1
164 1 15 VAL MG2 1 27 CYS H 2.000 . 6.500 4.263 3.981 4.618 . 0 0 "[ . 1 . 2]" 1
165 1 15 VAL QG 1 42 LEU QD 2.000 . 9.800 1.859 1.635 2.088 0.165 2 0 "[ . 1 . 2]" 1
166 1 15 VAL QG 1 45 LYS H 2.000 . 7.400 4.334 3.928 4.675 . 0 0 "[ . 1 . 2]" 1
167 1 15 VAL QG 1 45 LYS QB 2.000 . 8.900 2.619 2.039 3.188 . 0 0 "[ . 1 . 2]" 1
168 1 15 VAL QG 1 46 GLY H 2.000 . 7.400 3.404 2.953 3.659 . 0 0 "[ . 1 . 2]" 1
169 1 15 VAL H 1 23 TYR H 2.000 . 3.500 3.457 3.300 3.535 0.035 19 0 "[ . 1 . 2]" 1
170 1 15 VAL H 1 46 GLY H 2.000 . 5.000 4.955 4.754 5.010 0.010 6 0 "[ . 1 . 2]" 1
171 1 16 CYS HA 1 16 CYS HB3 2.000 . 2.700 2.836 2.820 2.847 0.147 12 0 "[ . 1 . 2]" 1
172 1 16 CYS HA 1 17 GLY H 2.000 . 2.700 2.149 2.120 2.183 . 0 0 "[ . 1 . 2]" 1
173 1 16 CYS HA 1 22 THR MG 2.000 . 5.500 3.509 3.321 3.809 . 0 0 "[ . 1 . 2]" 1
174 1 16 CYS HA 1 22 THR HA 2.000 . 3.000 1.965 1.849 2.250 . 0 0 "[ . 1 . 2]" 1
175 1 16 CYS HA 1 23 TYR QE 2.000 . 7.400 4.047 3.754 4.406 . 0 0 "[ . 1 . 2]" 1
176 1 16 CYS HA 1 23 TYR H 2.000 . 3.500 3.129 2.709 3.411 . 0 0 "[ . 1 . 2]" 1
177 1 16 CYS HA 1 44 HIS HD2 2.000 . 5.000 4.624 4.445 5.008 0.008 9 0 "[ . 1 . 2]" 1
178 1 16 CYS HA 1 48 CYS H 2.000 . 5.000 4.588 4.436 4.711 . 0 0 "[ . 1 . 2]" 1
179 1 16 CYS H 1 16 CYS HB2 2.000 . 2.700 2.083 2.071 2.099 . 0 0 "[ . 1 . 2]" 1
180 1 16 CYS HB2 1 17 GLY H 2.000 . 5.000 4.521 4.406 4.566 . 0 0 "[ . 1 . 2]" 1
181 1 16 CYS HB2 1 43 VAL H 2.000 . 5.000 5.020 4.871 5.095 0.095 13 0 "[ . 1 . 2]" 1
182 1 16 CYS HB2 1 44 HIS HD2 2.000 . 2.700 2.311 1.959 2.728 0.028 15 0 "[ . 1 . 2]" 1
183 1 16 CYS HB2 1 46 GLY H 2.000 . 5.000 3.488 3.076 3.798 . 0 0 "[ . 1 . 2]" 1
184 1 14 PRO QB 1 47 ARG H 2.000 . 6.000 4.351 3.934 4.926 . 0 0 "[ . 1 . 2]" 1
185 1 16 CYS HB2 1 48 CYS H 2.000 . 3.500 2.447 2.299 2.597 . 0 0 "[ . 1 . 2]" 1
186 1 16 CYS HB2 1 48 CYS HB3 2.000 . 5.000 4.775 4.615 4.958 . 0 0 "[ . 1 . 2]" 1
187 1 16 CYS H 1 16 CYS HB3 2.000 . 3.500 3.150 3.129 3.183 . 0 0 "[ . 1 . 2]" 1
188 1 16 CYS HB3 1 17 GLY H 2.000 . 3.800 3.734 3.484 3.845 0.045 5 0 "[ . 1 . 2]" 1
189 1 16 CYS HB3 1 43 VAL H 2.000 . 5.000 4.097 3.875 4.352 . 0 0 "[ . 1 . 2]" 1
190 1 16 CYS HB3 1 44 HIS HD2 2.000 . 2.700 2.049 1.872 2.434 . 0 0 "[ . 1 . 2]" 1
191 1 16 CYS HB3 1 44 HIS H 2.000 . 3.500 3.163 2.860 3.495 . 0 0 "[ . 1 . 2]" 1
192 1 16 CYS HB3 1 48 CYS HB3 2.000 . 5.000 5.017 4.929 5.073 0.073 19 0 "[ . 1 . 2]" 1
193 1 16 CYS QB 1 44 HIS HE1 2.000 . 6.000 5.131 4.841 5.258 . 0 0 "[ . 1 . 2]" 1
194 1 16 CYS HB3 1 48 CYS H 2.000 . 5.000 3.993 3.773 4.173 . 0 0 "[ . 1 . 2]" 1
195 1 16 CYS QB 1 43 VAL HB 2.000 . 6.000 4.035 3.239 5.168 . 0 0 "[ . 1 . 2]" 1
196 1 16 CYS H 1 17 GLY H 2.000 . 5.000 4.454 4.376 4.553 . 0 0 "[ . 1 . 2]" 1
197 1 16 CYS H 1 22 THR HA 2.000 . 5.000 4.067 3.817 4.283 . 0 0 "[ . 1 . 2]" 1
198 1 16 CYS H 1 23 TYR H 2.000 . 5.000 4.754 4.310 4.965 . 0 0 "[ . 1 . 2]" 1
199 1 16 CYS H 1 43 VAL H 2.000 . 5.000 4.655 4.518 4.755 . 0 0 "[ . 1 . 2]" 1
200 1 16 CYS H 1 44 HIS QB 2.000 . 6.000 3.346 2.875 4.043 . 0 0 "[ . 1 . 2]" 1
201 1 16 CYS H 1 44 HIS H 2.000 . 3.500 3.520 3.372 3.555 0.055 5 0 "[ . 1 . 2]" 1
202 1 17 GLY H 1 23 TYR H 2.000 . 5.000 3.500 3.316 3.830 . 0 0 "[ . 1 . 2]" 1
203 1 17 GLY QA 1 18 SER H 2.000 . 4.500 2.076 2.061 2.109 . 0 0 "[ . 1 . 2]" 1
204 1 17 GLY QA 1 21 ILE H 2.000 . 6.000 4.212 4.100 4.330 . 0 0 "[ . 1 . 2]" 1
205 1 17 GLY QA 1 29 LEU MD1 2.000 . 7.500 2.343 1.918 4.420 . 0 0 "[ . 1 . 2]" 1
206 1 17 GLY QA 1 19 ASP H 2.000 . 6.000 4.482 4.355 4.581 . 0 0 "[ . 1 . 2]" 1
207 1 17 GLY QA 1 23 TYR QE 2.000 . 6.900 1.822 1.765 1.884 0.035 20 0 "[ . 1 . 2]" 1
208 1 17 GLY QA 1 40 ILE MD 2.000 . 6.500 4.491 4.143 4.761 . 0 0 "[ . 1 . 2]" 1
209 1 17 GLY QA 1 43 VAL H 2.000 . 4.500 2.782 2.167 3.114 . 0 0 "[ . 1 . 2]" 1
210 1 17 GLY QA 1 29 LEU MD2 2.000 . 7.500 3.044 2.651 3.638 . 0 0 "[ . 1 . 2]" 1
211 1 17 GLY QA 1 40 ILE MG 2.000 . 7.500 3.972 2.331 5.072 . 0 0 "[ . 1 . 2]" 1
212 1 17 GLY QA 1 42 LEU HA 2.000 . 3.500 2.022 1.823 2.315 . 0 0 "[ . 1 . 2]" 1
213 1 17 GLY QA 1 42 LEU HB3 2.000 . 6.000 4.671 4.410 4.996 . 0 0 "[ . 1 . 2]" 1
214 1 17 GLY QA 1 42 LEU HB2 2.000 . 6.000 4.522 4.334 4.792 . 0 0 "[ . 1 . 2]" 1
215 1 17 GLY QA 1 43 VAL QG 2.000 . 8.400 2.845 2.452 3.148 . 0 0 "[ . 1 . 2]" 1
216 1 18 SER HA 1 19 ASP H 2.000 . 3.500 2.103 2.076 2.131 . 0 0 "[ . 1 . 2]" 1
217 1 18 SER HA 1 20 GLY H 2.000 . 5.000 3.594 3.503 3.677 . 0 0 "[ . 1 . 2]" 1
218 1 18 SER HA 1 23 TYR QE 2.000 . 7.400 5.696 5.615 5.796 . 0 0 "[ . 1 . 2]" 1
219 1 18 SER HA 1 41 GLU H 2.000 . 5.000 4.446 4.195 4.794 . 0 0 "[ . 1 . 2]" 1
220 1 18 SER H 1 18 SER QB 2.000 . 4.500 2.306 2.049 2.898 . 0 0 "[ . 1 . 2]" 1
221 1 18 SER QB 1 41 GLU QB 2.000 . 5.500 1.877 1.688 2.449 0.112 5 0 "[ . 1 . 2]" 1
222 1 18 SER QB 1 41 GLU QG 2.000 . 7.000 3.108 1.962 4.004 . 0 0 "[ . 1 . 2]" 1
223 1 18 SER QB 1 41 GLU H 2.000 . 5.000 2.480 1.969 3.270 . 0 0 "[ . 1 . 2]" 1
224 1 18 SER QB 1 43 VAL HB 2.000 . 6.000 4.617 3.032 5.290 . 0 0 "[ . 1 . 2]" 1
225 1 18 SER QB 1 43 VAL MG1 2.000 . 7.500 3.636 2.333 4.618 . 0 0 "[ . 1 . 2]" 1
226 1 18 SER QB 1 43 VAL MG2 2.000 . 7.500 3.186 2.082 4.707 . 0 0 "[ . 1 . 2]" 1
227 1 19 ASP HA 1 20 GLY H 2.000 . 3.500 3.467 3.455 3.491 . 0 0 "[ . 1 . 2]" 1
228 1 19 ASP H 1 19 ASP QB 2.000 . 4.500 3.054 2.958 3.397 . 0 0 "[ . 1 . 2]" 1
229 1 19 ASP QB 1 20 GLY H 2.000 . 6.000 2.885 2.643 3.493 . 0 0 "[ . 1 . 2]" 1
230 1 19 ASP QB 1 40 ILE MD 2.000 . 7.500 3.730 2.486 4.905 . 0 0 "[ . 1 . 2]" 1
231 1 19 ASP QB 1 40 ILE QG 2.000 . 7.000 3.629 1.978 4.690 . 0 0 "[ . 1 . 2]" 1
232 1 19 ASP QB 1 40 ILE MG 2.000 . 6.000 2.347 1.797 3.915 0.003 2 0 "[ . 1 . 2]" 1
233 1 19 ASP QB 1 21 ILE MD 2.000 . 7.000 4.590 3.036 5.188 . 0 0 "[ . 1 . 2]" 1
234 1 19 ASP QB 1 21 ILE QG 2.000 . 7.000 3.631 2.885 5.368 . 0 0 "[ . 1 . 2]" 1
235 1 17 GLY H 1 19 ASP H 2.000 . 5.000 5.149 5.106 5.204 0.204 7 0 "[ . 1 . 2]" 1
236 1 18 SER H 1 19 ASP H 2.000 . 5.000 4.095 4.041 4.137 . 0 0 "[ . 1 . 2]" 1
237 1 19 ASP H 1 20 GLY H 2.000 . 3.500 1.769 1.758 1.800 0.042 1 0 "[ . 1 . 2]" 1
238 1 20 GLY QA 1 21 ILE H 2.000 . 4.500 2.817 2.795 2.876 . 0 0 "[ . 1 . 2]" 1
239 1 21 ILE HA 1 22 THR H 2.000 . 2.700 2.200 2.119 2.377 . 0 0 "[ . 1 . 2]" 1
240 1 21 ILE HA 1 23 TYR QE 2.000 . 7.600 4.866 4.713 5.037 . 0 0 "[ . 1 . 2]" 1
241 1 17 GLY QA 1 42 LEU QD 2.000 . 8.400 2.332 1.939 2.692 . 0 0 "[ . 1 . 2]" 1
242 1 17 GLY H 1 21 ILE HB 2.000 . 5.000 4.068 3.782 4.796 . 0 0 "[ . 1 . 2]" 1
243 1 21 ILE H 1 21 ILE HB 2.000 . 2.700 2.730 2.556 2.783 0.083 11 0 "[ . 1 . 2]" 1
244 1 21 ILE HB 1 22 THR H 2.000 . 5.000 4.015 3.740 4.257 . 0 0 "[ . 1 . 2]" 1
245 1 21 ILE HB 1 23 TYR QE 2.000 . 5.900 2.866 2.702 3.405 . 0 0 "[ . 1 . 2]" 1
246 1 20 GLY H 1 21 ILE MD 2.000 . 6.500 5.055 3.358 5.491 . 0 0 "[ . 1 . 2]" 1
247 1 21 ILE H 1 21 ILE MD 2.000 . 6.500 4.005 2.489 4.598 . 0 0 "[ . 1 . 2]" 1
248 1 21 ILE MD 1 22 THR H 2.000 . 5.000 3.545 2.960 4.322 . 0 0 "[ . 1 . 2]" 1
249 1 21 ILE MD 1 23 TYR QE 2.000 . 8.900 4.257 2.990 4.759 . 0 0 "[ . 1 . 2]" 1
250 1 21 ILE H 1 21 ILE QG 2.000 . 4.500 3.242 2.967 4.082 . 0 0 "[ . 1 . 2]" 1
251 1 21 ILE QG 1 22 THR H 2.000 . 6.000 4.135 2.803 4.581 . 0 0 "[ . 1 . 2]" 1
252 1 17 GLY H 1 21 ILE MG 2.000 . 6.500 4.096 3.426 4.317 . 0 0 "[ . 1 . 2]" 1
253 1 20 GLY H 1 21 ILE MG 2.000 . 6.500 5.359 4.860 5.469 . 0 0 "[ . 1 . 2]" 1
254 1 21 ILE H 1 21 ILE MG 2.000 . 5.000 3.830 3.481 3.891 . 0 0 "[ . 1 . 2]" 1
255 1 21 ILE MG 1 22 THR H 2.000 . 4.200 2.177 1.780 2.635 0.020 9 0 "[ . 1 . 2]" 1
256 1 21 ILE MG 1 23 TYR HA 2.000 . 6.500 3.271 3.162 3.437 . 0 0 "[ . 1 . 2]" 1
257 1 21 ILE MG 1 23 TYR QE 2.000 . 7.400 2.599 2.294 3.027 . 0 0 "[ . 1 . 2]" 1
258 1 21 ILE MG 1 23 TYR H 2.000 . 6.500 3.304 2.917 3.752 . 0 0 "[ . 1 . 2]" 1
259 1 21 ILE MG 1 24 GLY H 2.000 . 6.500 5.037 4.835 5.216 . 0 0 "[ . 1 . 2]" 1
260 1 17 GLY H 1 21 ILE H 2.000 . 3.500 3.245 3.043 3.505 0.005 5 0 "[ . 1 . 2]" 1
261 1 19 ASP H 1 21 ILE H 2.000 . 5.000 3.636 3.440 3.749 . 0 0 "[ . 1 . 2]" 1
262 1 21 ILE H 1 22 THR H 2.000 . 5.000 4.385 4.262 4.477 . 0 0 "[ . 1 . 2]" 1
263 1 20 GLY H 1 21 ILE H 2.000 . 2.700 2.000 1.868 2.087 . 0 0 "[ . 1 . 2]" 1
264 1 21 ILE H 1 23 TYR QE 2.000 . 7.400 3.466 3.221 3.734 . 0 0 "[ . 1 . 2]" 1
265 1 16 CYS HB2 1 22 THR HA 2.000 . 5.000 4.177 3.767 4.490 . 0 0 "[ . 1 . 2]" 1
266 1 16 CYS HB3 1 22 THR HA 2.000 . 5.000 4.597 4.238 4.948 . 0 0 "[ . 1 . 2]" 1
267 1 17 GLY H 1 22 THR HA 2.000 . 3.500 3.300 3.006 3.529 0.029 15 0 "[ . 1 . 2]" 1
268 1 21 ILE MG 1 22 THR HA 2.000 . 6.500 3.583 3.191 3.826 . 0 0 "[ . 1 . 2]" 1
269 1 22 THR HA 1 23 TYR HB2 2.000 . 5.000 4.710 4.652 4.759 . 0 0 "[ . 1 . 2]" 1
270 1 22 THR HA 1 23 TYR QE 2.000 . 7.400 4.520 4.263 4.823 . 0 0 "[ . 1 . 2]" 1
271 1 22 THR HA 1 23 TYR H 2.000 . 2.700 2.180 2.157 2.196 . 0 0 "[ . 1 . 2]" 1
272 1 22 THR H 1 22 THR HB 2.000 . 3.500 2.512 2.350 2.689 . 0 0 "[ . 1 . 2]" 1
273 1 22 THR HB 1 23 TYR H 2.000 . 5.000 4.432 4.358 4.508 . 0 0 "[ . 1 . 2]" 1
274 1 15 VAL H 1 22 THR MG 2.000 . 5.000 3.457 3.132 3.706 . 0 0 "[ . 1 . 2]" 1
275 1 16 CYS H 1 22 THR MG 2.000 . 5.000 3.852 3.576 4.050 . 0 0 "[ . 1 . 2]" 1
276 1 17 GLY H 1 22 THR MG 2.000 . 6.500 5.094 4.891 5.343 . 0 0 "[ . 1 . 2]" 1
277 1 21 ILE MG 1 22 THR MG 2.000 . 7.500 4.461 4.217 4.741 . 0 0 "[ . 1 . 2]" 1
278 1 22 THR H 1 22 THR MG 2.000 . 5.000 3.796 3.718 3.872 . 0 0 "[ . 1 . 2]" 1
279 1 22 THR MG 1 23 TYR QE 2.000 . 8.900 5.946 5.787 6.109 . 0 0 "[ . 1 . 2]" 1
280 1 22 THR MG 1 23 TYR H 2.000 . 4.200 3.281 2.890 3.405 . 0 0 "[ . 1 . 2]" 1
281 1 22 THR MG 1 24 GLY H 2.000 . 6.500 4.935 4.550 5.265 . 0 0 "[ . 1 . 2]" 1
282 1 22 THR MG 1 47 ARG H 2.000 . 6.500 4.304 3.889 4.633 . 0 0 "[ . 1 . 2]" 1
283 1 22 THR H 1 23 TYR H 2.000 . 5.000 4.106 3.965 4.347 . 0 0 "[ . 1 . 2]" 1
284 1 23 TYR HA 1 24 GLY QA 2.000 . 6.000 3.864 3.843 3.895 . 0 0 "[ . 1 . 2]" 1
285 1 23 TYR HA 1 24 GLY H 2.000 . 2.700 2.181 2.097 2.394 . 0 0 "[ . 1 . 2]" 1
286 1 23 TYR HA 1 29 LEU HG 2.000 . 5.000 4.763 4.625 5.053 0.053 3 0 "[ . 1 . 2]" 1
287 1 15 VAL QG 1 23 TYR HB2 2.000 . 5.600 2.425 2.174 2.628 . 0 0 "[ . 1 . 2]" 1
288 1 15 VAL H 1 23 TYR HB2 2.000 . 5.000 3.468 3.332 3.592 . 0 0 "[ . 1 . 2]" 1
289 1 17 GLY H 1 23 TYR HB2 2.000 . 5.000 5.025 4.939 5.076 0.076 7 0 "[ . 1 . 2]" 1
290 1 23 TYR H 1 23 TYR HB2 2.000 . 2.700 2.558 2.509 2.600 . 0 0 "[ . 1 . 2]" 1
291 1 23 TYR HB2 1 24 GLY H 2.000 . 5.000 3.848 3.453 4.034 . 0 0 "[ . 1 . 2]" 1
292 1 23 TYR HB2 1 25 ASN H 2.000 . 3.500 2.983 2.708 3.191 . 0 0 "[ . 1 . 2]" 1
293 1 23 TYR HB2 1 28 MET H 2.000 . 5.000 5.162 5.099 5.235 0.235 3 0 "[ . 1 . 2]" 1
294 1 23 TYR HB2 1 29 LEU QB 2.000 . 6.000 3.533 2.558 3.807 . 0 0 "[ . 1 . 2]" 1
295 1 23 TYR HB2 1 29 LEU HG 2.000 . 3.500 2.399 2.220 2.799 . 0 0 "[ . 1 . 2]" 1
296 1 23 TYR HB2 1 29 LEU QD 2.000 . 7.400 3.254 3.101 3.600 . 0 0 "[ . 1 . 2]" 1
297 1 23 TYR HB2 1 29 LEU H 2.000 . 5.000 4.107 3.826 4.344 . 0 0 "[ . 1 . 2]" 1
298 1 15 VAL H 1 23 TYR HB3 2.000 . 5.000 4.794 4.689 4.895 . 0 0 "[ . 1 . 2]" 1
299 1 15 VAL QG 1 23 TYR HB3 2.000 . 7.400 3.797 3.537 3.941 . 0 0 "[ . 1 . 2]" 1
300 1 23 TYR H 1 23 TYR HB3 2.000 . 3.500 3.577 3.563 3.628 0.128 15 0 "[ . 1 . 2]" 1
301 1 23 TYR HB3 1 24 GLY H 2.000 . 3.500 2.918 2.408 3.107 . 0 0 "[ . 1 . 2]" 1
302 1 23 TYR HB3 1 29 LEU QB 2.000 . 6.000 3.797 1.771 4.178 0.029 15 0 "[ . 1 . 2]" 1
303 1 23 TYR HB3 1 29 LEU QD 2.000 . 7.400 3.379 3.189 3.649 . 0 0 "[ . 1 . 2]" 1
304 1 15 VAL H 1 23 TYR QE 2.000 . 7.400 6.561 6.410 6.635 . 0 0 "[ . 1 . 2]" 1
305 1 17 GLY H 1 23 TYR QE 2.000 . 5.900 2.090 1.878 2.430 . 0 0 "[ . 1 . 2]" 1
306 1 23 TYR H 1 23 TYR QE 2.000 . 5.900 3.875 3.773 4.190 . 0 0 "[ . 1 . 2]" 1
307 1 23 TYR QE 1 24 GLY H 2.000 . 7.400 6.208 6.056 6.298 . 0 0 "[ . 1 . 2]" 1
308 1 23 TYR QE 1 32 ALA H 2.000 . 7.400 5.443 4.631 6.326 . 0 0 "[ . 1 . 2]" 1
309 1 12 TYR QD 1 24 GLY QA 2.000 . 8.400 4.042 2.931 4.554 . 0 0 "[ . 1 . 2]" 1
310 1 12 TYR QE 1 24 GLY QA 2.000 . 8.400 3.823 2.576 4.589 . 0 0 "[ . 1 . 2]" 1
311 1 13 ASP H 1 24 GLY QA 2.000 . 6.000 3.946 3.536 4.312 . 0 0 "[ . 1 . 2]" 1
312 1 14 PRO QB 1 24 GLY QA 2.000 . 7.000 3.265 2.973 3.669 . 0 0 "[ . 1 . 2]" 1
313 1 15 VAL H 1 24 GLY QA 2.000 . 6.000 4.225 4.013 4.484 . 0 0 "[ . 1 . 2]" 1
314 1 24 GLY QA 1 25 ASN H 2.000 . 3.700 2.826 2.744 2.889 . 0 0 "[ . 1 . 2]" 1
315 1 23 TYR H 1 24 GLY H 2.000 . 5.000 4.545 4.478 4.594 . 0 0 "[ . 1 . 2]" 1
316 1 13 ASP HB2 1 25 ASN HA 2.000 . 5.000 3.960 3.651 4.256 . 0 0 "[ . 1 . 2]" 1
317 1 13 ASP HB3 1 25 ASN HA 2.000 . 5.000 2.887 2.248 3.496 . 0 0 "[ . 1 . 2]" 1
318 1 13 ASP H 1 25 ASN HA 2.000 . 3.500 3.575 3.483 3.618 0.118 1 0 "[ . 1 . 2]" 1
319 1 15 VAL H 1 25 ASN HA 2.000 . 3.500 3.435 3.244 3.543 0.043 13 0 "[ . 1 . 2]" 1
320 1 23 TYR HB3 1 25 ASN HA 2.000 . 5.000 5.187 5.118 5.231 0.231 3 0 "[ . 1 . 2]" 1
321 1 25 ASN HA 1 26 ALA MB 2.000 . 6.500 4.065 3.970 4.132 . 0 0 "[ . 1 . 2]" 1
322 1 25 ASN HA 1 26 ALA H 2.000 . 2.700 2.259 2.169 2.322 . 0 0 "[ . 1 . 2]" 1
323 1 25 ASN HA 1 27 CYS H 2.000 . 3.800 3.870 3.676 3.939 0.139 8 0 "[ . 1 . 2]" 1
324 1 25 ASN HA 1 28 MET H 2.000 . 5.000 4.308 4.184 4.466 . 0 0 "[ . 1 . 2]" 1
325 1 11 GLN H 1 25 ASN QB 2.000 . 6.000 5.355 5.157 5.468 . 0 0 "[ . 1 . 2]" 1
326 1 13 ASP HB3 1 25 ASN QB 2.000 . 6.000 3.576 2.564 4.467 . 0 0 "[ . 1 . 2]" 1
327 1 25 ASN H 1 25 ASN QB 2.000 . 4.500 3.107 2.911 3.486 . 0 0 "[ . 1 . 2]" 1
328 1 25 ASN QB 1 26 ALA H 2.000 . 3.700 2.798 2.549 3.471 . 0 0 "[ . 1 . 2]" 1
329 1 25 ASN QB 1 27 CYS H 2.000 . 4.500 2.364 2.185 2.977 . 0 0 "[ . 1 . 2]" 1
330 1 13 ASP H 1 25 ASN QB 2.000 . 4.500 3.490 2.211 4.072 . 0 0 "[ . 1 . 2]" 1
331 1 13 ASP QB 1 25 ASN QB 2.000 . 7.000 3.239 2.305 3.974 . 0 0 "[ . 1 . 2]" 1
332 1 25 ASN QB 1 26 ALA MB 2.000 . 7.500 3.962 3.713 4.578 . 0 0 "[ . 1 . 2]" 1
333 1 25 ASN QB 1 28 MET H 2.000 . 6.000 2.620 2.087 3.424 . 0 0 "[ . 1 . 2]" 1
334 1 25 ASN QB 1 28 MET QG 2.000 . 7.000 2.314 1.765 3.900 0.035 12 0 "[ . 1 . 2]" 1
335 1 9 THR H 1 25 ASN QD 2.000 . 5.000 3.747 3.069 4.525 . 0 0 "[ . 1 . 2]" 1
336 1 12 TYR HA 1 25 ASN QD 2.000 . 6.000 3.317 2.712 5.017 . 0 0 "[ . 1 . 2]" 1
337 1 13 ASP H 1 25 ASN QD 2.000 . 6.000 2.965 2.497 3.755 . 0 0 "[ . 1 . 2]" 1
338 1 25 ASN QD 1 26 ALA H 2.000 . 6.000 5.103 4.041 5.367 . 0 0 "[ . 1 . 2]" 1
339 1 23 TYR H 1 25 ASN H 2.000 . 5.000 4.790 4.602 5.009 0.009 18 0 "[ . 1 . 2]" 1
340 1 24 GLY H 1 25 ASN H 2.000 . 2.700 2.731 2.432 2.878 0.178 12 0 "[ . 1 . 2]" 1
341 1 25 ASN H 1 26 ALA H 2.000 . 5.000 4.214 4.118 4.264 . 0 0 "[ . 1 . 2]" 1
342 1 25 ASN H 1 27 CYS H 2.000 . 5.000 4.696 4.537 4.822 . 0 0 "[ . 1 . 2]" 1
343 1 25 ASN H 1 28 MET H 2.000 . 3.500 3.591 3.516 3.713 0.213 15 0 "[ . 1 . 2]" 1
344 1 26 ALA HA 1 27 CYS H 2.000 . 3.500 3.455 3.400 3.475 . 0 0 "[ . 1 . 2]" 1
345 1 26 ALA HA 1 28 MET H 2.000 . 5.000 4.393 4.170 4.613 . 0 0 "[ . 1 . 2]" 1
346 1 26 ALA HA 1 29 LEU QB 2.000 . 4.500 2.401 2.113 3.900 . 0 0 "[ . 1 . 2]" 1
347 1 26 ALA HA 1 29 LEU H 2.000 . 3.500 3.420 3.346 3.516 0.016 15 0 "[ . 1 . 2]" 1
348 1 26 ALA HA 1 29 LEU QD 2.000 . 7.400 2.918 1.742 3.374 0.058 15 0 "[ . 1 . 2]" 1
349 1 26 ALA H 1 29 LEU H 2.000 . 5.000 4.816 4.688 5.004 0.004 4 0 "[ . 1 . 2]" 1
350 1 26 ALA HA 1 30 LEU H 2.000 . 5.000 4.595 4.127 4.837 . 0 0 "[ . 1 . 2]" 1
351 1 26 ALA H 1 26 ALA MB 2.000 . 3.800 2.148 2.035 2.243 . 0 0 "[ . 1 . 2]" 1
352 1 26 ALA MB 1 27 CYS H 2.000 . 4.200 2.856 2.776 3.001 . 0 0 "[ . 1 . 2]" 1
353 1 26 ALA MB 1 28 MET H 2.000 . 6.500 4.644 4.556 4.793 . 0 0 "[ . 1 . 2]" 1
354 1 26 ALA MB 1 29 LEU QB 2.000 . 7.500 3.657 3.445 5.104 . 0 0 "[ . 1 . 2]" 1
355 1 26 ALA MB 1 29 LEU H 2.000 . 6.500 4.454 4.387 4.773 . 0 0 "[ . 1 . 2]" 1
356 1 27 CYS HA 1 27 CYS HB3 2.000 . 2.700 2.594 2.498 2.771 0.071 3 0 "[ . 1 . 2]" 1
357 1 27 CYS HA 1 28 MET H 2.000 . 3.500 3.518 3.503 3.528 0.028 5 0 "[ . 1 . 2]" 1
358 1 27 CYS HA 1 29 LEU H 2.000 . 5.000 3.737 3.539 4.501 . 0 0 "[ . 1 . 2]" 1
359 1 27 CYS HA 1 30 LEU QB 2.000 . 5.000 3.633 2.550 4.258 . 0 0 "[ . 1 . 2]" 1
360 1 27 CYS HA 1 30 LEU QD 2.000 . 6.400 2.187 1.664 2.997 0.136 6 0 "[ . 1 . 2]" 1
361 1 27 CYS HA 1 30 LEU H 2.000 . 3.500 3.325 3.101 3.585 0.085 19 0 "[ . 1 . 2]" 1
362 1 27 CYS HA 1 31 GLY H 2.000 . 5.000 4.667 4.422 4.840 . 0 0 "[ . 1 . 2]" 1
363 1 8 CYS HB3 1 27 CYS HB3 2.000 . 5.000 2.977 2.312 3.486 . 0 0 "[ . 1 . 2]" 1
364 1 8 CYS HB2 1 27 CYS HB3 2.000 . 5.000 1.845 1.726 2.043 0.074 4 0 "[ . 1 . 2]" 1
365 1 27 CYS H 1 27 CYS HB3 2.000 . 3.500 3.520 3.331 3.578 0.078 7 0 "[ . 1 . 2]" 1
366 1 27 CYS HB3 1 28 MET H 2.000 . 3.500 3.371 2.896 3.584 0.084 18 0 "[ . 1 . 2]" 1
367 1 9 THR H 1 27 CYS HB3 2.000 . 5.000 4.359 3.603 4.977 . 0 0 "[ . 1 . 2]" 1
368 1 8 CYS HB3 1 27 CYS HB2 2.000 . 3.500 2.698 2.372 2.858 . 0 0 "[ . 1 . 2]" 1
369 1 8 CYS HB2 1 27 CYS HB2 2.000 . 5.000 2.598 2.273 3.115 . 0 0 "[ . 1 . 2]" 1
370 1 9 THR H 1 27 CYS HB2 2.000 . 5.000 4.008 3.387 4.576 . 0 0 "[ . 1 . 2]" 1
371 1 26 ALA H 1 27 CYS HB2 2.000 . 5.000 4.717 4.540 4.907 . 0 0 "[ . 1 . 2]" 1
372 1 27 CYS H 1 27 CYS HB2 2.000 . 3.500 2.275 2.108 2.394 . 0 0 "[ . 1 . 2]" 1
373 1 27 CYS HB2 1 28 MET QG 2.000 . 6.000 3.584 3.226 3.998 . 0 0 "[ . 1 . 2]" 1
374 1 27 CYS HB2 1 28 MET H 2.000 . 2.700 2.669 2.453 2.875 0.175 3 0 "[ . 1 . 2]" 1
375 1 26 ALA H 1 27 CYS H 2.000 . 2.700 2.682 2.611 2.766 0.066 7 0 "[ . 1 . 2]" 1
376 1 27 CYS H 1 28 MET H 2.000 . 2.700 2.442 2.318 2.492 . 0 0 "[ . 1 . 2]" 1
377 1 28 MET HA 1 29 LEU H 2.000 . 3.500 3.411 3.377 3.515 0.015 15 0 "[ . 1 . 2]" 1
378 1 28 MET HA 1 30 LEU H 2.000 . 5.000 4.629 4.010 4.925 . 0 0 "[ . 1 . 2]" 1
379 1 28 MET HA 1 31 GLY H 2.000 . 3.500 3.505 3.362 3.642 0.142 15 0 "[ . 1 . 2]" 1
380 1 28 MET HA 1 32 ALA H 2.000 . 5.000 4.585 4.299 4.757 . 0 0 "[ . 1 . 2]" 1
381 1 23 TYR QE 1 28 MET QB 2.000 . 8.400 5.901 5.671 6.350 . 0 0 "[ . 1 . 2]" 1
382 1 24 GLY H 1 28 MET QB 2.000 . 4.500 3.185 2.495 3.845 . 0 0 "[ . 1 . 2]" 1
383 1 25 ASN QD 1 28 MET QB 2.000 . 7.000 4.295 3.552 5.197 . 0 0 "[ . 1 . 2]" 1
384 1 25 ASN H 1 28 MET QB 2.000 . 3.700 2.212 2.009 2.591 . 0 0 "[ . 1 . 2]" 1
385 1 26 ALA H 1 28 MET QB 2.000 . 6.000 5.084 5.024 5.152 . 0 0 "[ . 1 . 2]" 1
386 1 27 CYS H 1 28 MET QB 2.000 . 6.000 4.350 4.212 4.462 . 0 0 "[ . 1 . 2]" 1
387 1 28 MET H 1 28 MET QB 2.000 . 3.700 2.338 2.197 2.492 . 0 0 "[ . 1 . 2]" 1
388 1 28 MET QB 1 29 LEU H 2.000 . 4.500 2.958 2.625 3.074 . 0 0 "[ . 1 . 2]" 1
389 1 28 MET QB 1 31 GLY H 2.000 . 6.000 4.833 4.686 4.960 . 0 0 "[ . 1 . 2]" 1
390 1 25 ASN H 1 28 MET QG 2.000 . 4.500 3.149 2.403 3.764 . 0 0 "[ . 1 . 2]" 1
391 1 27 CYS H 1 28 MET QG 2.000 . 6.000 4.222 3.848 4.635 . 0 0 "[ . 1 . 2]" 1
392 1 28 MET H 1 28 MET QG 2.000 . 3.700 2.443 2.062 2.690 . 0 0 "[ . 1 . 2]" 1
393 1 28 MET QG 1 29 LEU H 2.000 . 6.000 4.181 4.012 4.339 . 0 0 "[ . 1 . 2]" 1
394 1 26 ALA H 1 28 MET H 2.000 . 5.000 4.232 4.083 4.441 . 0 0 "[ . 1 . 2]" 1
395 1 28 MET H 1 31 GLY H 2.000 . 5.000 5.003 4.888 5.074 0.074 3 0 "[ . 1 . 2]" 1
396 1 23 TYR QB 1 29 LEU HA 2.000 . 6.000 3.283 2.905 3.835 . 0 0 "[ . 1 . 2]" 1
397 1 23 TYR QD 1 29 LEU HA 2.000 . 7.400 3.246 2.640 3.894 . 0 0 "[ . 1 . 2]" 1
398 1 23 TYR QE 1 29 LEU HA 2.000 . 7.400 4.116 3.681 4.575 . 0 0 "[ . 1 . 2]" 1
399 1 29 LEU HA 1 30 LEU H 2.000 . 3.500 3.555 3.425 3.591 0.091 19 0 "[ . 1 . 2]" 1
400 1 29 LEU HA 1 32 ALA MB 2.000 . 3.200 2.165 1.892 2.385 . 0 0 "[ . 1 . 2]" 1
401 1 29 LEU HA 1 32 ALA H 2.000 . 3.500 2.912 2.635 3.063 . 0 0 "[ . 1 . 2]" 1
402 1 29 LEU HA 1 33 SER H 2.000 . 5.000 3.736 3.513 4.302 . 0 0 "[ . 1 . 2]" 1
403 1 23 TYR QE 1 29 LEU HG 2.000 . 5.900 3.590 3.303 3.717 . 0 0 "[ . 1 . 2]" 1
404 1 23 TYR H 1 29 LEU HG 2.000 . 5.000 4.037 3.878 4.367 . 0 0 "[ . 1 . 2]" 1
405 1 29 LEU H 1 29 LEU QB 2.000 . 4.500 2.037 1.993 2.304 . 0 0 "[ . 1 . 2]" 1
406 1 29 LEU QB 1 30 LEU H 2.000 . 4.500 2.473 2.245 3.693 . 0 0 "[ . 1 . 2]" 1
407 1 29 LEU QB 1 31 GLY H 2.000 . 6.000 4.325 4.113 5.027 . 0 0 "[ . 1 . 2]" 1
408 1 29 LEU QB 1 32 ALA H 2.000 . 6.000 4.342 4.234 4.392 . 0 0 "[ . 1 . 2]" 1
409 1 29 LEU QB 1 33 SER H 2.000 . 6.000 4.284 4.046 4.925 . 0 0 "[ . 1 . 2]" 1
410 1 23 TYR QE 1 29 LEU QB 2.000 . 8.400 4.740 2.895 4.930 . 0 0 "[ . 1 . 2]" 1
411 1 17 GLY H 1 29 LEU QD 2.000 . 7.400 3.578 3.345 4.074 . 0 0 "[ . 1 . 2]" 1
412 1 23 TYR QD 1 29 LEU QD 2.000 . 10.200 2.347 2.077 2.909 . 0 0 "[ . 1 . 2]" 1
413 1 23 TYR QE 1 29 LEU MD1 2.000 . 8.900 3.053 2.307 4.505 . 0 0 "[ . 1 . 2]" 1
414 1 29 LEU H 1 29 LEU MD1 2.000 . 6.500 4.068 1.830 4.233 . 0 0 "[ . 1 . 2]" 1
415 1 29 LEU MD1 1 30 LEU H 2.000 . 5.500 4.177 1.823 4.481 . 0 0 "[ . 1 . 2]" 1
416 1 29 LEU QD 1 30 LEU HG 2.000 . 7.400 5.005 4.037 5.520 . 0 0 "[ . 1 . 2]" 1
417 1 29 LEU QD 1 30 LEU HA 2.000 . 7.400 4.024 2.345 4.413 . 0 0 "[ . 1 . 2]" 1
418 1 29 LEU QD 1 32 ALA H 2.000 . 7.400 3.623 3.362 3.958 . 0 0 "[ . 1 . 2]" 1
419 1 29 LEU QD 1 33 SER HA 2.000 . 7.400 4.283 3.974 4.886 . 0 0 "[ . 1 . 2]" 1
420 1 29 LEU MD1 1 33 SER H 2.000 . 6.000 4.975 4.597 5.060 . 0 0 "[ . 1 . 2]" 1
421 1 29 LEU QD 1 34 CYS H 2.000 . 7.400 5.167 4.997 5.504 . 0 0 "[ . 1 . 2]" 1
422 1 29 LEU QD 1 41 GLU H 2.000 . 7.400 3.831 3.464 4.445 . 0 0 "[ . 1 . 2]" 1
423 1 29 LEU QD 1 42 LEU H 2.000 . 7.400 4.363 3.929 4.955 . 0 0 "[ . 1 . 2]" 1
424 1 23 TYR QE 1 29 LEU MD2 2.000 . 8.900 2.400 2.302 2.645 . 0 0 "[ . 1 . 2]" 1
425 1 23 TYR H 1 29 LEU QD 2.000 . 6.400 4.030 3.837 4.700 . 0 0 "[ . 1 . 2]" 1
426 1 24 GLY H 1 29 LEU QD 2.000 . 7.400 5.553 5.478 5.699 . 0 0 "[ . 1 . 2]" 1
427 1 25 ASN H 1 29 LEU QD 2.000 . 7.400 5.034 4.488 5.224 . 0 0 "[ . 1 . 2]" 1
428 1 29 LEU H 1 29 LEU MD2 2.000 . 5.000 3.954 3.871 4.094 . 0 0 "[ . 1 . 2]" 1
429 1 29 LEU MD2 1 30 LEU H 2.000 . 5.500 4.084 3.772 4.273 . 0 0 "[ . 1 . 2]" 1
430 1 29 LEU QD 1 31 GLY H 2.000 . 7.400 4.613 3.727 4.807 . 0 0 "[ . 1 . 2]" 1
431 1 29 LEU MD2 1 33 SER H 2.000 . 5.500 3.024 2.839 4.076 . 0 0 "[ . 1 . 2]" 1
432 1 29 LEU H 1 29 LEU HG 2.000 . 3.500 3.625 3.492 3.841 0.341 3 0 "[ . 1 . 2]" 1
433 1 27 CYS H 1 29 LEU H 2.000 . 5.000 3.622 3.494 3.972 . 0 0 "[ . 1 . 2]" 1
434 1 28 MET H 1 29 LEU H 2.000 . 3.500 2.490 2.427 2.560 . 0 0 "[ . 1 . 2]" 1
435 1 29 LEU H 1 30 LEU H 2.000 . 3.500 2.657 2.391 2.868 . 0 0 "[ . 1 . 2]" 1
436 1 29 LEU H 1 31 GLY H 2.000 . 5.000 3.797 3.644 4.080 . 0 0 "[ . 1 . 2]" 1
437 1 30 LEU HA 1 31 GLY H 2.000 . 3.500 3.495 3.461 3.518 0.018 17 0 "[ . 1 . 2]" 1
438 1 30 LEU HA 1 32 ALA H 2.000 . 5.000 4.080 3.860 4.287 . 0 0 "[ . 1 . 2]" 1
439 1 30 LEU HA 1 33 SER H 2.000 . 3.500 3.504 3.132 3.617 0.117 4 0 "[ . 1 . 2]" 1
440 1 30 LEU HA 1 34 CYS H 2.000 . 5.000 3.928 3.399 4.665 . 0 0 "[ . 1 . 2]" 1
441 1 29 LEU H 1 30 LEU QB 2.000 . 6.000 4.769 4.309 5.183 . 0 0 "[ . 1 . 2]" 1
442 1 30 LEU H 1 30 LEU QB 2.000 . 4.500 2.599 2.286 2.991 . 0 0 "[ . 1 . 2]" 1
443 1 30 LEU QB 1 31 GLY H 2.000 . 4.500 2.991 2.571 3.568 . 0 0 "[ . 1 . 2]" 1
444 1 27 CYS H 1 30 LEU QD 2.000 . 7.400 4.214 3.641 4.932 . 0 0 "[ . 1 . 2]" 1
445 1 30 LEU H 1 30 LEU QD 2.000 . 6.400 2.320 1.792 3.297 0.008 19 0 "[ . 1 . 2]" 1
446 1 30 LEU QD 1 31 GLY H 2.000 . 6.400 3.582 2.760 4.173 . 0 0 "[ . 1 . 2]" 1
447 1 30 LEU QD 1 32 ALA H 2.000 . 7.400 4.872 4.297 5.415 . 0 0 "[ . 1 . 2]" 1
448 1 30 LEU QD 1 34 CYS H 2.000 . 7.400 5.127 3.934 5.610 . 0 0 "[ . 1 . 2]" 1
449 1 30 LEU H 1 30 LEU HG 2.000 . 2.700 2.393 1.854 2.967 0.267 17 0 "[ . 1 . 2]" 1
450 1 30 LEU HG 1 31 GLY H 2.000 . 5.000 3.348 1.803 4.786 . 0 0 "[ . 1 . 2]" 1
451 1 27 CYS H 1 30 LEU H 2.000 . 5.000 4.921 4.459 5.120 0.120 6 0 "[ . 1 . 2]" 1
452 1 28 MET H 1 30 LEU H 2.000 . 5.000 4.473 3.653 4.758 . 0 0 "[ . 1 . 2]" 1
453 1 30 LEU H 1 31 GLY H 2.000 . 2.700 2.708 2.441 2.826 0.126 17 0 "[ . 1 . 2]" 1
454 1 31 GLY QA 1 33 SER H 2.000 . 6.000 4.468 3.778 4.698 . 0 0 "[ . 1 . 2]" 1
455 1 30 LEU H 1 31 GLY QA 2.000 . 6.000 4.591 4.346 4.684 . 0 0 "[ . 1 . 2]" 1
456 1 31 GLY QA 1 32 ALA H 2.000 . 4.500 2.754 2.710 2.798 . 0 0 "[ . 1 . 2]" 1
457 1 31 GLY QA 1 34 CYS H 2.000 . 4.500 3.654 3.319 3.936 . 0 0 "[ . 1 . 2]" 1
458 1 31 GLY H 1 33 SER H 2.000 . 5.000 4.310 4.102 4.557 . 0 0 "[ . 1 . 2]" 1
459 1 32 ALA HA 1 33 SER H 2.000 . 3.500 3.563 3.511 3.577 0.077 11 0 "[ . 1 . 2]" 1
460 1 32 ALA HA 1 34 CYS H 2.000 . 5.000 4.198 3.851 4.772 . 0 0 "[ . 1 . 2]" 1
461 1 32 ALA HA 1 35 ARG H 2.000 . 3.500 3.364 3.017 3.556 0.056 20 0 "[ . 1 . 2]" 1
462 1 32 ALA HA 1 36 SER H 2.000 . 5.000 4.288 3.516 4.845 . 0 0 "[ . 1 . 2]" 1
463 1 32 ALA HA 1 40 ILE MD 2.000 . 6.500 4.475 3.890 5.212 . 0 0 "[ . 1 . 2]" 1
464 1 29 LEU QB 1 32 ALA MB 2.000 . 7.500 3.831 2.783 4.081 . 0 0 "[ . 1 . 2]" 1
465 1 23 TYR QE 1 32 ALA MB 2.000 . 6.600 2.546 1.757 3.658 0.043 3 0 "[ . 1 . 2]" 1
466 1 29 LEU QD 1 32 ALA MB 2.000 . 6.600 2.163 1.742 3.130 0.058 3 0 "[ . 1 . 2]" 1
467 1 29 LEU H 1 32 ALA MB 2.000 . 6.500 4.463 4.272 4.617 . 0 0 "[ . 1 . 2]" 1
468 1 30 LEU H 1 32 ALA MB 2.000 . 6.500 4.646 4.321 4.806 . 0 0 "[ . 1 . 2]" 1
469 1 31 GLY H 1 32 ALA MB 2.000 . 5.000 4.069 3.965 4.178 . 0 0 "[ . 1 . 2]" 1
470 1 32 ALA H 1 32 ALA MB 2.000 . 4.200 2.142 2.021 2.235 . 0 0 "[ . 1 . 2]" 1
471 1 32 ALA MB 1 33 SER H 2.000 . 4.200 2.327 2.018 2.726 . 0 0 "[ . 1 . 2]" 1
472 1 32 ALA MB 1 34 CYS H 2.000 . 6.000 4.261 3.914 4.797 . 0 0 "[ . 1 . 2]" 1
473 1 32 ALA MB 1 40 ILE MD 2.000 . 6.000 2.433 1.721 3.269 0.079 7 0 "[ . 1 . 2]" 1
474 1 29 LEU H 1 32 ALA H 2.000 . 5.000 4.474 4.294 4.589 . 0 0 "[ . 1 . 2]" 1
475 1 30 LEU H 1 32 ALA H 2.000 . 4.000 3.967 3.719 4.060 0.060 2 0 "[ . 1 . 2]" 1
476 1 31 GLY H 1 32 ALA H 2.000 . 2.700 2.435 2.352 2.526 . 0 0 "[ . 1 . 2]" 1
477 1 32 ALA H 1 33 SER H 2.000 . 2.700 2.651 2.487 2.781 0.081 7 0 "[ . 1 . 2]" 1
478 1 32 ALA H 1 34 CYS H 2.000 . 5.000 3.815 3.452 4.466 . 0 0 "[ . 1 . 2]" 1
479 1 33 SER HA 1 34 CYS H 2.000 . 3.500 3.498 3.435 3.564 0.064 15 0 "[ . 1 . 2]" 1
480 1 33 SER HA 1 40 ILE H 2.000 . 5.000 3.275 2.881 3.864 . 0 0 "[ . 1 . 2]" 1
481 1 33 SER H 1 40 ILE H 2.000 . 5.000 4.979 4.653 5.124 0.124 11 0 "[ . 1 . 2]" 1
482 1 29 LEU QD 1 33 SER QB 2.000 . 8.400 3.330 2.721 4.091 . 0 0 "[ . 1 . 2]" 1
483 1 33 SER H 1 33 SER QB 2.000 . 3.700 2.399 2.023 2.936 . 0 0 "[ . 1 . 2]" 1
484 1 33 SER QB 1 34 CYS H 2.000 . 4.500 2.977 2.375 3.431 . 0 0 "[ . 1 . 2]" 1
485 1 33 SER QB 1 40 ILE H 2.000 . 6.000 2.418 1.804 3.564 . 0 0 "[ . 1 . 2]" 1
486 1 33 SER QB 1 40 ILE MD 2.000 . 7.500 2.321 1.705 4.064 0.095 20 0 "[ . 1 . 2]" 1
487 1 30 LEU HA 1 33 SER QB 2.000 . 6.000 3.134 2.223 3.805 . 0 0 "[ . 1 . 2]" 1
488 1 34 CYS HA 1 35 ARG H 2.000 . 3.500 3.512 3.391 3.555 0.055 9 0 "[ . 1 . 2]" 1
489 1 34 CYS HA 1 36 SER H 2.000 . 5.000 4.171 3.779 4.942 . 0 0 "[ . 1 . 2]" 1
490 1 4 CYS QB 1 34 CYS QB 2.000 . 7.000 3.158 2.422 3.839 . 0 0 "[ . 1 . 2]" 1
491 1 4 CYS H 1 34 CYS QB 2.000 . 6.000 2.872 1.823 4.804 . 0 0 "[ . 1 . 2]" 1
492 1 33 SER H 1 34 CYS QB 2.000 . 5.500 4.506 4.322 4.704 . 0 0 "[ . 1 . 2]" 1
493 1 34 CYS H 1 34 CYS QB 2.000 . 4.200 2.203 2.037 2.467 . 0 0 "[ . 1 . 2]" 1
494 1 34 CYS QB 1 35 ARG H 2.000 . 5.000 2.964 2.294 3.523 . 0 0 "[ . 1 . 2]" 1
495 1 31 GLY H 1 34 CYS H 2.000 . 5.000 4.746 4.522 5.065 0.065 15 0 "[ . 1 . 2]" 1
496 1 33 SER H 1 34 CYS H 2.000 . 2.700 2.730 2.569 2.812 0.112 20 0 "[ . 1 . 2]" 1
497 1 35 ARG HA 1 35 ARG HE 2.000 . 5.000 4.191 2.128 5.036 0.036 15 0 "[ . 1 . 2]" 1
498 1 35 ARG HA 1 36 SER HA 2.000 . 5.000 4.622 4.472 4.730 . 0 0 "[ . 1 . 2]" 1
499 1 35 ARG HA 1 36 SER H 2.000 . 3.500 3.280 2.610 3.526 0.026 15 0 "[ . 1 . 2]" 1
500 1 34 CYS H 1 35 ARG QB 2.000 . 6.000 4.681 4.044 5.389 . 0 0 "[ . 1 . 2]" 1
501 1 35 ARG H 1 35 ARG QB 2.000 . 4.500 2.494 2.168 3.331 . 0 0 "[ . 1 . 2]" 1
502 1 35 ARG QB 1 36 SER H 2.000 . 6.000 3.430 2.716 3.962 . 0 0 "[ . 1 . 2]" 1
503 1 34 CYS H 1 35 ARG QD 2.000 . 6.000 4.998 3.484 5.429 . 0 0 "[ . 1 . 2]" 1
504 1 35 ARG H 1 35 ARG QD 2.000 . 6.000 3.354 1.808 3.923 . 0 0 "[ . 1 . 2]" 1
505 1 34 CYS H 1 35 ARG QG 2.000 . 6.000 4.510 3.483 5.506 . 0 0 "[ . 1 . 2]" 1
506 1 35 ARG H 1 35 ARG QG 2.000 . 4.500 2.668 1.769 3.782 0.031 2 0 "[ . 1 . 2]" 1
507 1 35 ARG QG 1 36 SER H 2.000 . 6.000 3.864 1.965 4.687 . 0 0 "[ . 1 . 2]" 1
508 1 34 CYS H 1 35 ARG H 2.000 . 2.700 2.563 2.332 2.836 0.136 7 0 "[ . 1 . 2]" 1
509 1 35 ARG H 1 36 SER H 2.000 . 2.700 2.500 2.247 2.791 0.091 7 0 "[ . 1 . 2]" 1
510 1 36 SER HA 1 37 ASP H 2.000 . 3.500 3.473 3.314 3.549 0.049 1 0 "[ . 1 . 2]" 1
511 1 35 ARG H 1 36 SER HB2 2.000 . 5.000 4.569 3.693 5.047 0.047 6 0 "[ . 1 . 2]" 1
512 1 36 SER H 1 36 SER HB2 2.000 . 2.700 2.745 2.666 2.822 0.122 12 0 "[ . 1 . 2]" 1
513 1 36 SER HB2 1 37 ASP H 2.000 . 3.500 3.348 3.285 3.407 . 0 0 "[ . 1 . 2]" 1
514 1 36 SER HB2 1 38 THR H 2.000 . 5.000 4.563 4.461 5.103 0.103 11 0 "[ . 1 . 2]" 1
515 1 35 ARG H 1 36 SER HB3 2.000 . 5.000 4.669 4.342 5.082 0.082 11 0 "[ . 1 . 2]" 1
516 1 36 SER H 1 36 SER HB3 2.000 . 2.700 2.501 2.409 2.712 0.012 1 0 "[ . 1 . 2]" 1
517 1 36 SER HB3 1 37 ASP H 2.000 . 3.500 1.840 1.785 1.915 0.015 20 0 "[ . 1 . 2]" 1
518 1 36 SER QB 1 40 ILE MD 2.000 . 7.500 3.491 2.104 4.731 . 0 0 "[ . 1 . 2]" 1
519 1 34 CYS H 1 36 SER H 2.000 . 5.000 3.978 3.620 4.547 . 0 0 "[ . 1 . 2]" 1
520 1 36 SER H 1 37 ASP H 2.000 . 3.500 3.202 2.402 3.646 0.146 9 0 "[ . 1 . 2]" 1
521 1 36 SER H 1 38 THR H 2.000 . 5.000 4.879 4.310 5.083 0.083 5 0 "[ . 1 . 2]" 1
522 1 37 ASP HA 1 38 THR H 2.000 . 3.500 3.415 2.886 3.536 0.036 11 0 "[ . 1 . 2]" 1
523 1 37 ASP H 1 37 ASP QB 2.000 . 3.700 3.083 2.812 3.447 . 0 0 "[ . 1 . 2]" 1
524 1 37 ASP QB 1 38 THR H 2.000 . 6.000 3.026 1.987 4.039 . 0 0 "[ . 1 . 2]" 1
525 1 37 ASP H 1 38 THR HA 2.000 . 5.000 4.288 3.890 4.415 . 0 0 "[ . 1 . 2]" 1
526 1 38 THR HA 1 39 PRO QD 2.000 . 4.500 2.005 1.777 2.786 0.023 3 0 "[ . 1 . 2]" 1
527 1 38 THR HA 1 39 PRO QG 2.000 . 6.000 3.907 3.653 4.633 . 0 0 "[ . 1 . 2]" 1
528 1 38 THR H 1 38 THR HB 2.000 . 3.500 3.257 2.567 3.609 0.109 5 0 "[ . 1 . 2]" 1
529 1 37 ASP H 1 38 THR MG 2.000 . 6.500 4.603 3.101 5.296 . 0 0 "[ . 1 . 2]" 1
530 1 38 THR H 1 38 THR MG 2.000 . 5.000 3.196 1.940 4.058 . 0 0 "[ . 1 . 2]" 1
531 1 37 ASP H 1 38 THR H 2.000 . 2.700 1.902 1.793 2.686 0.007 9 0 "[ . 1 . 2]" 1
532 1 38 THR H 1 40 ILE H 2.000 . 5.000 4.789 4.462 5.037 0.037 4 0 "[ . 1 . 2]" 1
533 1 39 PRO HA 1 40 ILE H 2.000 . 2.700 2.423 2.270 2.947 0.247 11 0 "[ . 1 . 2]" 1
534 1 39 PRO HA 1 40 ILE MD 2.000 . 6.500 4.419 2.875 5.463 . 0 0 "[ . 1 . 2]" 1
535 1 39 PRO QB 1 40 ILE H 2.000 . 6.000 3.881 3.774 3.956 . 0 0 "[ . 1 . 2]" 1
536 1 38 THR MG 1 39 PRO QD 2.000 . 6.000 2.767 1.776 4.073 0.024 9 0 "[ . 1 . 2]" 1
537 1 38 THR H 1 39 PRO QD 2.000 . 6.000 4.092 1.600 4.391 0.200 11 0 "[ . 1 . 2]" 1
538 1 39 PRO QG 1 40 ILE H 2.000 . 6.000 4.711 3.841 4.920 . 0 0 "[ . 1 . 2]" 1
539 1 40 ILE HA 1 41 GLU H 2.000 . 2.700 2.415 2.177 2.600 . 0 0 "[ . 1 . 2]" 1
540 1 40 ILE HA 1 41 GLU QG 2.000 . 6.000 3.647 3.055 5.181 . 0 0 "[ . 1 . 2]" 1
541 1 40 ILE H 1 40 ILE HB 2.000 . 3.500 3.249 2.093 3.600 0.100 1 0 "[ . 1 . 2]" 1
542 1 40 ILE HB 1 41 GLU H 2.000 . 5.000 2.881 2.117 4.222 . 0 0 "[ . 1 . 2]" 1
543 1 23 TYR QE 1 40 ILE MD 2.000 . 8.900 3.312 2.512 4.452 . 0 0 "[ . 1 . 2]" 1
544 1 29 LEU QD 1 40 ILE MD 2.000 . 8.900 1.936 1.553 2.683 0.247 1 0 "[ . 1 . 2]" 1
545 1 32 ALA H 1 40 ILE MD 2.000 . 6.500 4.281 3.645 5.128 . 0 0 "[ . 1 . 2]" 1
546 1 33 SER H 1 40 ILE MD 2.000 . 5.000 2.510 1.791 3.642 0.009 1 0 "[ . 1 . 2]" 1
547 1 34 CYS H 1 40 ILE MD 2.000 . 6.500 4.448 4.025 5.434 . 0 0 "[ . 1 . 2]" 1
548 1 36 SER H 1 40 ILE MD 2.000 . 6.500 4.910 4.049 5.469 . 0 0 "[ . 1 . 2]" 1
549 1 40 ILE H 1 40 ILE MD 2.000 . 5.000 2.847 1.795 4.148 0.005 13 0 "[ . 1 . 2]" 1
550 1 40 ILE MD 1 41 GLU H 2.000 . 6.500 4.471 3.956 5.014 . 0 0 "[ . 1 . 2]" 1
551 1 29 LEU QD 1 40 ILE QG 2.000 . 8.900 2.361 1.532 3.693 0.268 3 0 "[ . 1 . 2]" 1
552 1 40 ILE H 1 40 ILE QG 2.000 . 4.500 2.545 1.811 3.593 . 0 0 "[ . 1 . 2]" 1
553 1 40 ILE QG 1 41 GLU H 2.000 . 6.000 3.499 2.685 4.581 . 0 0 "[ . 1 . 2]" 1
554 1 23 TYR QE 1 40 ILE MG 2.000 . 7.500 3.569 2.689 4.353 . 0 0 "[ . 1 . 2]" 1
555 1 29 LEU QD 1 40 ILE MG 2.000 . 8.900 2.664 1.490 3.393 0.310 11 0 "[ . 1 . 2]" 1
556 1 33 SER H 1 40 ILE MG 2.000 . 5.500 4.355 3.550 4.531 . 0 0 "[ . 1 . 2]" 1
557 1 40 ILE H 1 40 ILE MG 2.000 . 5.000 2.639 1.809 3.970 . 0 0 "[ . 1 . 2]" 1
558 1 40 ILE MG 1 41 GLU H 2.000 . 5.000 3.205 1.960 3.899 . 0 0 "[ . 1 . 2]" 1
559 1 40 ILE H 1 41 GLU H 2.000 . 5.000 4.613 4.312 4.675 . 0 0 "[ . 1 . 2]" 1
560 1 29 LEU QD 1 41 GLU HA 2.000 . 6.900 3.770 3.286 4.403 . 0 0 "[ . 1 . 2]" 1
561 1 41 GLU HA 1 42 LEU H 2.000 . 2.700 2.627 2.609 2.644 . 0 0 "[ . 1 . 2]" 1
562 1 41 GLU HA 1 42 LEU QB 2.000 . 6.000 4.057 3.952 4.166 . 0 0 "[ . 1 . 2]" 1
563 1 18 SER H 1 41 GLU QB 2.000 . 6.000 3.200 2.889 3.442 . 0 0 "[ . 1 . 2]" 1
564 1 41 GLU H 1 41 GLU QB 2.000 . 4.500 2.691 2.479 2.947 . 0 0 "[ . 1 . 2]" 1
565 1 41 GLU QB 1 42 LEU H 2.000 . 4.500 2.059 1.927 2.379 . 0 0 "[ . 1 . 2]" 1
566 1 41 GLU H 1 41 GLU QG 2.000 . 4.500 3.056 2.405 3.998 . 0 0 "[ . 1 . 2]" 1
567 1 41 GLU QG 1 42 LEU H 2.000 . 4.500 3.766 2.240 4.136 . 0 0 "[ . 1 . 2]" 1
568 1 40 ILE H 1 41 GLU QG 2.000 . 6.000 4.984 4.615 5.454 . 0 0 "[ . 1 . 2]" 1
569 1 18 SER H 1 41 GLU H 2.000 . 3.500 3.079 2.726 3.496 . 0 0 "[ . 1 . 2]" 1
570 1 41 GLU H 1 42 LEU H 2.000 . 5.000 4.414 4.389 4.438 . 0 0 "[ . 1 . 2]" 1
571 1 42 LEU H 1 43 VAL H 2.000 . 5.000 4.446 4.370 4.531 . 0 0 "[ . 1 . 2]" 1
572 1 18 SER H 1 42 LEU HA 2.000 . 3.500 2.821 2.361 3.221 . 0 0 "[ . 1 . 2]" 1
573 1 29 LEU QD 1 42 LEU HA 2.000 . 7.400 3.305 2.948 3.984 . 0 0 "[ . 1 . 2]" 1
574 1 42 LEU HA 1 43 VAL H 2.000 . 2.700 2.192 2.168 2.251 . 0 0 "[ . 1 . 2]" 1
575 1 15 VAL QG 1 42 LEU HB3 2.000 . 7.400 4.631 4.419 4.825 . 0 0 "[ . 1 . 2]" 1
576 1 42 LEU H 1 42 LEU HB3 2.000 . 3.500 3.255 3.213 3.321 . 0 0 "[ . 1 . 2]" 1
577 1 42 LEU HB3 1 43 VAL H 2.000 . 3.500 3.445 3.218 3.530 0.030 15 0 "[ . 1 . 2]" 1
578 1 29 LEU QD 1 42 LEU HB2 2.000 . 7.400 3.856 3.591 4.500 . 0 0 "[ . 1 . 2]" 1
579 1 42 LEU H 1 42 LEU HB2 2.000 . 2.700 2.440 2.309 2.574 . 0 0 "[ . 1 . 2]" 1
580 1 42 LEU HB2 1 43 VAL H 2.000 . 5.000 4.374 4.238 4.434 . 0 0 "[ . 1 . 2]" 1
581 1 16 CYS H 1 42 LEU MD1 2.000 . 5.000 3.316 3.185 3.443 . 0 0 "[ . 1 . 2]" 1
582 1 17 GLY H 1 42 LEU MD1 2.000 . 6.000 4.420 4.050 4.748 . 0 0 "[ . 1 . 2]" 1
583 1 26 ALA H 1 42 LEU MD1 2.000 . 6.500 5.062 4.811 5.315 . 0 0 "[ . 1 . 2]" 1
584 1 42 LEU H 1 42 LEU MD1 2.000 . 5.500 4.386 4.292 4.531 . 0 0 "[ . 1 . 2]" 1
585 1 15 VAL HA 1 42 LEU QD 2.000 . 7.400 3.405 3.286 3.520 . 0 0 "[ . 1 . 2]" 1
586 1 42 LEU QD 1 43 VAL H 2.000 . 6.400 2.175 1.901 2.531 . 0 0 "[ . 1 . 2]" 1
587 1 15 VAL H 1 42 LEU QD 2.000 . 7.400 4.261 4.117 4.391 . 0 0 "[ . 1 . 2]" 1
588 1 16 CYS H 1 42 LEU MD2 2.000 . 6.000 4.655 4.211 4.891 . 0 0 "[ . 1 . 2]" 1
589 1 17 GLY H 1 42 LEU MD2 2.000 . 6.000 4.038 3.482 4.426 . 0 0 "[ . 1 . 2]" 1
590 1 17 GLY QA 1 42 LEU MD1 2.000 . 7.000 3.137 2.822 3.466 . 0 0 "[ . 1 . 2]" 1
591 1 17 GLY QA 1 42 LEU MD2 2.000 . 7.000 2.425 1.965 2.929 . 0 0 "[ . 1 . 2]" 1
592 1 26 ALA HA 1 42 LEU QD 2.000 . 7.400 2.591 2.027 3.212 . 0 0 "[ . 1 . 2]" 1
593 1 26 ALA H 1 42 LEU MD2 2.000 . 6.500 4.531 3.990 4.985 . 0 0 "[ . 1 . 2]" 1
594 1 42 LEU H 1 42 LEU MD2 2.000 . 5.500 3.457 3.291 3.593 . 0 0 "[ . 1 . 2]" 1
595 1 29 LEU QD 1 42 LEU QD 2.000 . 9.800 1.626 1.544 2.198 0.256 19 0 "[ . 1 . 2]" 1
596 1 29 LEU QD 1 42 LEU HG 2.000 . 6.400 3.694 3.031 4.220 . 0 0 "[ . 1 . 2]" 1
597 1 42 LEU H 1 42 LEU HG 2.000 . 5.000 4.708 4.586 4.837 . 0 0 "[ . 1 . 2]" 1
598 1 42 LEU HG 1 43 VAL H 2.000 . 5.000 4.666 4.448 4.820 . 0 0 "[ . 1 . 2]" 1
599 1 43 VAL HA 1 44 HIS H 2.000 . 3.500 3.540 3.502 3.563 0.063 18 0 "[ . 1 . 2]" 1
600 1 43 VAL H 1 43 VAL HB 2.000 . 3.500 3.159 2.844 3.521 0.021 14 0 "[ . 1 . 2]" 1
601 1 43 VAL HB 1 44 HIS H 2.000 . 4.000 3.077 2.381 3.957 . 0 0 "[ . 1 . 2]" 1
602 1 43 VAL MG1 1 44 HIS HE1 2.000 . 5.000 2.557 1.865 3.163 . 0 0 "[ . 1 . 2]" 1
603 1 18 SER H 1 43 VAL MG1 2.000 . 6.500 4.028 2.976 5.255 . 0 0 "[ . 1 . 2]" 1
604 1 43 VAL H 1 43 VAL MG1 2.000 . 5.000 3.331 2.235 3.984 . 0 0 "[ . 1 . 2]" 1
605 1 43 VAL MG1 1 44 HIS HD2 2.000 . 6.500 4.126 2.615 5.213 . 0 0 "[ . 1 . 2]" 1
606 1 43 VAL MG1 1 44 HIS H 2.000 . 5.000 3.344 1.826 4.137 . 0 0 "[ . 1 . 2]" 1
607 1 17 GLY H 1 43 VAL QG 2.000 . 8.400 4.132 3.656 4.919 . 0 0 "[ . 1 . 2]" 1
608 1 18 SER H 1 43 VAL MG2 2.000 . 6.500 3.108 2.287 5.062 . 0 0 "[ . 1 . 2]" 1
609 1 41 GLU H 1 43 VAL QG 2.000 . 7.400 4.960 4.506 5.467 . 0 0 "[ . 1 . 2]" 1
610 1 42 LEU H 1 43 VAL QG 2.000 . 7.400 4.421 3.845 5.243 . 0 0 "[ . 1 . 2]" 1
611 1 43 VAL H 1 43 VAL MG2 2.000 . 5.000 2.701 1.819 3.922 . 0 0 "[ . 1 . 2]" 1
612 1 43 VAL MG2 1 44 HIS HD2 2.000 . 6.500 3.971 2.954 4.742 . 0 0 "[ . 1 . 2]" 1
613 1 43 VAL MG2 1 44 HIS HE1 2.000 . 5.000 3.251 1.738 4.083 0.062 9 0 "[ . 1 . 2]" 1
614 1 43 VAL MG2 1 44 HIS H 2.000 . 5.000 3.091 2.062 3.889 . 0 0 "[ . 1 . 2]" 1
615 1 18 SER H 1 43 VAL H 2.000 . 5.000 3.494 3.069 3.875 . 0 0 "[ . 1 . 2]" 1
616 1 15 VAL QG 1 44 HIS HA 2.000 . 7.900 5.323 5.098 5.540 . 0 0 "[ . 1 . 2]" 1
617 1 42 LEU QD 1 44 HIS HA 2.000 . 7.400 3.919 3.760 4.106 . 0 0 "[ . 1 . 2]" 1
618 1 44 HIS HA 1 45 LYS QB 2.000 . 6.000 4.490 4.169 4.688 . 0 0 "[ . 1 . 2]" 1
619 1 44 HIS HA 1 45 LYS QG 2.000 . 6.000 3.694 3.115 4.535 . 0 0 "[ . 1 . 2]" 1
620 1 44 HIS HA 1 45 LYS H 2.000 . 3.500 2.206 2.143 2.304 . 0 0 "[ . 1 . 2]" 1
621 1 43 VAL QG 1 44 HIS QB 2.000 . 8.400 3.782 3.027 4.273 . 0 0 "[ . 1 . 2]" 1
622 1 44 HIS H 1 44 HIS QB 2.000 . 6.000 3.069 2.887 3.251 . 0 0 "[ . 1 . 2]" 1
623 1 44 HIS QB 1 45 LYS H 2.000 . 4.500 3.030 2.769 3.407 . 0 0 "[ . 1 . 2]" 1
624 1 42 LEU QD 1 44 HIS H 2.000 . 7.400 2.695 2.428 3.058 . 0 0 "[ . 1 . 2]" 1
625 1 43 VAL H 1 44 HIS H 2.000 . 2.700 2.037 1.860 2.213 . 0 0 "[ . 1 . 2]" 1
626 1 44 HIS H 1 44 HIS HD2 2.000 . 5.000 3.647 3.225 4.350 . 0 0 "[ . 1 . 2]" 1
627 1 44 HIS H 1 44 HIS HE1 2.000 . 5.000 5.043 4.987 5.114 0.114 15 0 "[ . 1 . 2]" 1
628 1 44 HIS H 1 45 LYS H 2.000 . 5.000 4.323 4.168 4.433 . 0 0 "[ . 1 . 2]" 1
629 1 15 VAL QG 1 45 LYS HA 2.000 . 5.900 2.022 1.748 2.353 0.052 14 0 "[ . 1 . 2]" 1
630 1 16 CYS H 1 45 LYS HA 2.000 . 4.000 3.567 3.121 3.987 . 0 0 "[ . 1 . 2]" 1
631 1 42 LEU QD 1 45 LYS HA 2.000 . 7.400 2.947 2.641 3.264 . 0 0 "[ . 1 . 2]" 1
632 1 45 LYS HA 1 46 GLY H 2.000 . 2.700 2.564 2.476 2.630 . 0 0 "[ . 1 . 2]" 1
633 1 45 LYS H 1 45 LYS QB 2.000 . 4.500 2.615 2.195 3.013 . 0 0 "[ . 1 . 2]" 1
634 1 45 LYS QB 1 46 GLY H 2.000 . 4.500 3.929 3.896 3.985 . 0 0 "[ . 1 . 2]" 1
635 1 45 LYS H 1 45 LYS QD 2.000 . 6.000 3.633 1.954 4.666 . 0 0 "[ . 1 . 2]" 1
636 1 45 LYS H 1 45 LYS QE 2.000 . 6.000 4.406 3.699 5.086 . 0 0 "[ . 1 . 2]" 1
637 1 45 LYS H 1 45 LYS QG 2.000 . 6.000 2.329 1.847 3.344 . 0 0 "[ . 1 . 2]" 1
638 1 45 LYS QG 1 46 GLY H 2.000 . 6.000 4.438 4.130 4.607 . 0 0 "[ . 1 . 2]" 1
639 1 14 PRO QG 1 46 GLY QA 2.000 . 7.000 3.216 2.765 3.527 . 0 0 "[ . 1 . 2]" 1
640 1 16 CYS H 1 46 GLY H 2.000 . 5.000 2.386 2.160 2.597 . 0 0 "[ . 1 . 2]" 1
641 1 46 GLY QA 1 47 ARG H 2.000 . 3.700 2.199 2.154 2.266 . 0 0 "[ . 1 . 2]" 1
642 1 45 LYS H 1 46 GLY H 2.000 . 5.000 3.526 3.424 3.772 . 0 0 "[ . 1 . 2]" 1
643 1 16 CYS QB 1 47 ARG HA 2.000 . 6.000 4.358 4.175 4.532 . 0 0 "[ . 1 . 2]" 1
644 1 22 THR HA 1 47 ARG HA 2.000 . 5.000 4.955 4.747 5.041 0.041 19 0 "[ . 1 . 2]" 1
645 1 22 THR MG 1 47 ARG HA 2.000 . 4.500 2.262 1.940 2.859 . 0 0 "[ . 1 . 2]" 1
646 1 47 ARG HA 1 48 CYS HB2 2.000 . 5.000 3.859 3.812 3.918 . 0 0 "[ . 1 . 2]" 1
647 1 47 ARG HA 1 48 CYS H 2.000 . 2.700 2.598 2.565 2.651 . 0 0 "[ . 1 . 2]" 1
648 1 47 ARG H 1 47 ARG QB 2.000 . 3.700 2.738 2.542 2.983 . 0 0 "[ . 1 . 2]" 1
649 1 47 ARG QB 1 48 CYS H 2.000 . 4.500 3.914 3.905 3.964 . 0 0 "[ . 1 . 2]" 1
650 1 22 THR MG 1 47 ARG QD 2.000 . 7.500 4.435 3.243 5.000 . 0 0 "[ . 1 . 2]" 1
651 1 47 ARG H 1 47 ARG QD 2.000 . 6.000 3.924 3.649 4.304 . 0 0 "[ . 1 . 2]" 1
652 1 46 GLY H 1 47 ARG QG 2.000 . 6.000 5.385 5.291 5.454 . 0 0 "[ . 1 . 2]" 1
653 1 47 ARG H 1 47 ARG QG 2.000 . 4.500 1.975 1.823 2.317 . 0 0 "[ . 1 . 2]" 1
654 1 47 ARG QG 1 48 CYS H 2.000 . 5.000 4.454 4.234 4.504 . 0 0 "[ . 1 . 2]" 1
655 1 46 GLY H 1 47 ARG H 2.000 . 5.000 4.258 4.178 4.340 . 0 0 "[ . 1 . 2]" 1
656 1 47 ARG H 1 48 CYS H 2.000 . 3.500 3.457 3.373 3.533 0.033 9 0 "[ . 1 . 2]" 1
657 1 16 CYS HB3 1 48 CYS HA 2.000 . 3.500 3.435 3.199 3.537 0.037 12 0 "[ . 1 . 2]" 1
658 1 16 CYS HB2 1 48 CYS HA 2.000 . 5.000 2.735 2.462 3.002 . 0 0 "[ . 1 . 2]" 1
659 1 44 HIS HD2 1 48 CYS HA 2.000 . 3.500 1.898 1.837 2.118 . 0 0 "[ . 1 . 2]" 1
660 1 44 HIS HD2 1 48 CYS HB2 2.000 . 5.000 4.040 3.949 4.287 . 0 0 "[ . 1 . 2]" 1
661 1 48 CYS H 1 48 CYS HB2 2.000 . 3.000 3.070 3.032 3.109 0.109 6 0 "[ . 1 . 2]" 1
662 1 44 HIS HD2 1 48 CYS HB3 2.000 . 5.000 3.787 3.526 4.203 . 0 0 "[ . 1 . 2]" 1
663 1 48 CYS H 1 48 CYS HB3 2.000 . 4.000 4.002 3.991 4.013 0.013 2 0 "[ . 1 . 2]" 1
664 1 46 GLY H 1 48 CYS H 2.000 . 3.500 3.531 3.427 3.564 0.064 11 0 "[ . 1 . 2]" 1
665 1 44 HIS HD2 1 48 CYS H 2.000 . 5.000 3.484 2.989 3.862 . 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 46
_Distance_constraint_stats_list.Viol_count 308
_Distance_constraint_stats_list.Viol_total 460.726
_Distance_constraint_stats_list.Viol_max 0.223
_Distance_constraint_stats_list.Viol_rms 0.0498
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0250
_Distance_constraint_stats_list.Viol_average_violations_only 0.0748
_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 ASP 0.165 0.065 12 0 "[ . 1 . 2]"
1 15 VAL 0.534 0.088 9 0 "[ . 1 . 2]"
1 16 CYS 0.475 0.062 18 0 "[ . 1 . 2]"
1 17 GLY 7.448 0.223 15 0 "[ . 1 . 2]"
1 18 SER 6.777 0.193 2 0 "[ . 1 . 2]"
1 20 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 ILE 7.448 0.223 15 0 "[ . 1 . 2]"
1 23 TYR 0.534 0.088 9 0 "[ . 1 . 2]"
1 24 GLY 0.165 0.065 12 0 "[ . 1 . 2]"
1 25 ASN 0.797 0.079 7 0 "[ . 1 . 2]"
1 26 ALA 0.968 0.111 18 0 "[ . 1 . 2]"
1 27 CYS 1.675 0.139 5 0 "[ . 1 . 2]"
1 28 MET 1.398 0.110 15 0 "[ . 1 . 2]"
1 29 LEU 1.287 0.115 17 0 "[ . 1 . 2]"
1 30 LEU 1.266 0.111 18 0 "[ . 1 . 2]"
1 31 GLY 2.328 0.139 5 0 "[ . 1 . 2]"
1 32 ALA 1.563 0.147 11 0 "[ . 1 . 2]"
1 33 SER 1.235 0.115 17 0 "[ . 1 . 2]"
1 34 CYS 0.298 0.093 6 0 "[ . 1 . 2]"
1 35 ARG 0.653 0.099 7 0 "[ . 1 . 2]"
1 36 SER 0.911 0.147 11 0 "[ . 1 . 2]"
1 38 THR 0.304 0.068 4 0 "[ . 1 . 2]"
1 40 ILE 0.304 0.068 4 0 "[ . 1 . 2]"
1 41 GLU 6.777 0.193 2 0 "[ . 1 . 2]"
1 43 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 HIS 0.619 0.062 18 0 "[ . 1 . 2]"
1 46 GLY 0.144 0.042 11 0 "[ . 1 . 2]"
1 48 CYS 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 13 ASP H 1 24 GLY O 2.000 . 2.400 2.097 1.759 2.430 0.030 3 0 "[ . 1 . 2]" 2
2 1 13 ASP N 1 24 GLY O 3.000 2.700 3.400 2.917 2.635 3.263 0.065 12 0 "[ . 1 . 2]" 2
3 1 15 VAL H 1 23 TYR O 2.000 . 2.400 1.934 1.760 2.363 . 0 0 "[ . 1 . 2]" 2
4 1 15 VAL N 1 23 TYR O 3.000 2.700 3.400 2.779 2.612 3.069 0.088 9 0 "[ . 1 . 2]" 2
5 1 16 CYS H 1 44 HIS O 2.000 . 2.400 1.938 1.784 2.111 . 0 0 "[ . 1 . 2]" 2
6 1 16 CYS N 1 44 HIS O 3.000 2.700 3.400 2.715 2.638 2.861 0.062 18 0 "[ . 1 . 2]" 2
7 1 17 GLY H 1 21 ILE O 2.000 . 2.400 1.818 1.717 1.925 . 0 0 "[ . 1 . 2]" 2
8 1 17 GLY N 1 21 ILE O 3.000 2.700 3.400 2.756 2.659 2.895 0.041 9 0 "[ . 1 . 2]" 2
9 1 18 SER H 1 41 GLU O 2.000 . 2.400 1.872 1.714 1.996 . 0 0 "[ . 1 . 2]" 2
10 1 18 SER N 1 41 GLU O 3.000 2.700 3.400 2.543 2.507 2.644 0.193 2 0 "[ . 1 . 2]" 2
11 1 17 GLY O 1 20 GLY H 2.000 . 2.400 2.120 2.018 2.229 . 0 0 "[ . 1 . 2]" 2
12 1 17 GLY O 1 20 GLY N 3.000 2.700 3.400 3.071 2.967 3.178 . 0 0 "[ . 1 . 2]" 2
13 1 17 GLY O 1 21 ILE H 2.000 . 2.400 2.591 2.565 2.623 0.223 15 0 "[ . 1 . 2]" 2
14 1 17 GLY O 1 21 ILE N 3.000 2.700 3.400 3.577 3.551 3.608 0.208 15 0 "[ . 1 . 2]" 2
15 1 15 VAL O 1 23 TYR H 2.000 . 2.400 1.979 1.788 2.161 . 0 0 "[ . 1 . 2]" 2
16 1 15 VAL O 1 23 TYR N 3.000 2.700 3.400 2.830 2.674 3.044 0.026 2 0 "[ . 1 . 2]" 2
17 1 25 ASN O 1 28 MET H 2.000 . 2.400 2.094 1.954 2.181 . 0 0 "[ . 1 . 2]" 2
18 1 25 ASN O 1 28 MET N 3.000 2.700 3.400 2.663 2.621 2.701 0.079 7 0 "[ . 1 . 2]" 2
19 1 25 ASN O 1 29 LEU H 2.000 . 2.400 2.179 1.945 2.435 0.035 4 0 "[ . 1 . 2]" 2
20 1 25 ASN O 1 29 LEU N 3.000 2.700 3.400 2.940 2.793 3.211 . 0 0 "[ . 1 . 2]" 2
21 1 26 ALA O 1 30 LEU H 2.000 . 2.400 2.446 2.396 2.511 0.111 18 0 "[ . 1 . 2]" 2
22 1 26 ALA O 1 30 LEU N 3.000 2.700 3.400 3.348 3.090 3.425 0.025 8 0 "[ . 1 . 2]" 2
23 1 27 CYS O 1 31 GLY H 2.000 . 2.400 2.476 2.371 2.539 0.139 5 0 "[ . 1 . 2]" 2
24 1 27 CYS O 1 31 GLY N 3.000 2.700 3.400 3.373 3.217 3.431 0.031 16 0 "[ . 1 . 2]" 2
25 1 28 MET O 1 32 ALA H 2.000 . 2.400 2.385 2.071 2.510 0.110 15 0 "[ . 1 . 2]" 2
26 1 28 MET O 1 32 ALA N 3.000 2.700 3.400 3.096 2.847 3.348 . 0 0 "[ . 1 . 2]" 2
27 1 29 LEU O 1 33 SER H 2.000 . 2.400 1.774 1.645 2.227 0.055 17 0 "[ . 1 . 2]" 2
28 1 29 LEU O 1 33 SER N 3.000 2.700 3.400 2.680 2.585 3.031 0.115 17 0 "[ . 1 . 2]" 2
29 1 30 LEU O 1 34 CYS H 2.000 . 2.400 2.252 1.739 2.493 0.093 6 0 "[ . 1 . 2]" 2
30 1 30 LEU O 1 34 CYS N 3.000 2.700 3.400 3.085 2.682 3.359 0.018 20 0 "[ . 1 . 2]" 2
31 1 31 GLY O 1 35 ARG H 2.000 . 2.400 2.369 1.799 2.499 0.099 7 0 "[ . 1 . 2]" 2
32 1 31 GLY O 1 35 ARG N 3.000 2.700 3.400 3.155 2.693 3.383 0.007 3 0 "[ . 1 . 2]" 2
33 1 32 ALA O 1 36 SER H 2.000 . 2.400 2.144 1.708 2.547 0.147 11 0 "[ . 1 . 2]" 2
34 1 32 ALA O 1 36 SER N 3.000 2.700 3.400 2.771 2.564 3.416 0.136 1 0 "[ . 1 . 2]" 2
35 1 38 THR O 1 40 ILE H 2.000 . 2.400 2.174 1.892 2.439 0.039 11 0 "[ . 1 . 2]" 2
36 1 38 THR O 1 40 ILE N 3.000 2.700 3.400 2.768 2.632 3.175 0.068 4 0 "[ . 1 . 2]" 2
37 1 18 SER O 1 41 GLU H 2.000 . 2.400 2.520 2.479 2.563 0.163 14 0 "[ . 1 . 2]" 2
38 1 18 SER O 1 41 GLU N 3.000 2.700 3.400 3.462 3.418 3.498 0.098 10 0 "[ . 1 . 2]" 2
39 1 16 CYS O 1 43 VAL H 2.000 . 2.400 2.049 1.890 2.205 . 0 0 "[ . 1 . 2]" 2
40 1 16 CYS O 1 43 VAL N 3.000 2.700 3.400 3.003 2.857 3.168 . 0 0 "[ . 1 . 2]" 2
41 1 16 CYS O 1 44 HIS H 2.000 . 2.400 2.342 1.982 2.453 0.053 11 0 "[ . 1 . 2]" 2
42 1 16 CYS O 1 44 HIS N 3.000 2.700 3.400 3.307 2.958 3.416 0.016 11 0 "[ . 1 . 2]" 2
43 1 44 HIS O 1 46 GLY H 2.000 . 2.400 2.238 1.806 2.442 0.042 11 0 "[ . 1 . 2]" 2
44 1 44 HIS O 1 46 GLY N 3.000 2.700 3.400 3.066 2.683 3.250 0.017 5 0 "[ . 1 . 2]" 2
45 1 46 GLY O 1 48 CYS H 2.000 . 2.400 2.116 1.897 2.265 . 0 0 "[ . 1 . 2]" 2
46 1 46 GLY O 1 48 CYS N 3.000 2.700 3.400 2.970 2.778 3.101 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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