NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
397841 |
1t1t   |
6222 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1t1t
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 255
_Distance_constraint_stats_list.Viol_count 82
_Distance_constraint_stats_list.Viol_total 75.555
_Distance_constraint_stats_list.Viol_max 0.137
_Distance_constraint_stats_list.Viol_rms 0.0074
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0007
_Distance_constraint_stats_list.Viol_average_violations_only 0.0461
_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 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 VAL 0.227 0.049 2 0 "[ . 1 . 2]"
1 8 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 TRP 0.032 0.032 6 0 "[ . 1 . 2]"
1 11 ASN 0.813 0.137 17 0 "[ . 1 . 2]"
1 12 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 LEU 0.261 0.073 13 0 "[ . 1 . 2]"
1 27 CYS 0.139 0.059 19 0 "[ . 1 . 2]"
1 28 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 LEU 0.143 0.035 8 0 "[ . 1 . 2]"
1 31 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 TRP 0.121 0.081 3 0 "[ . 1 . 2]"
1 40 TRP 1.712 0.133 9 0 "[ . 1 . 2]"
1 41 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 ASN 0.236 0.104 17 0 "[ . 1 . 2]"
1 53 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 ILE 0.094 0.040 3 0 "[ . 1 . 2]"
1 56 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ALA 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 1 LYS HA 1 2 ILE H 2.500 . 2.700 2.419 2.210 2.670 . 0 0 "[ . 1 . 2]" 1
2 1 1 LYS HA 1 48 GLY QA 4.000 . 6.000 2.976 2.135 4.365 . 0 0 "[ . 1 . 2]" 1
3 1 2 ILE H 1 2 ILE HA 3.000 . 3.500 2.995 2.960 3.002 . 0 0 "[ . 1 . 2]" 1
4 1 2 ILE H 1 2 ILE HB 3.000 . 3.500 2.984 2.706 3.408 . 0 0 "[ . 1 . 2]" 1
5 1 2 ILE H 1 2 ILE MG 2.500 . 4.700 2.039 1.874 2.216 . 0 0 "[ . 1 . 2]" 1
6 1 2 ILE HA 1 2 ILE HB 2.500 . 2.700 2.512 2.402 2.592 . 0 0 "[ . 1 . 2]" 1
7 1 2 ILE HA 1 2 ILE MG 2.500 . 4.300 3.191 3.174 3.202 . 0 0 "[ . 1 . 2]" 1
8 1 2 ILE H 1 2 ILE MD 3.000 . 5.500 4.508 4.386 4.570 . 0 0 "[ . 1 . 2]" 1
9 1 2 ILE HA 1 2 ILE MD 3.000 . 5.500 3.759 3.609 3.864 . 0 0 "[ . 1 . 2]" 1
10 1 3 ASP H 1 3 ASP HA 3.000 . 3.500 2.995 2.975 3.005 . 0 0 "[ . 1 . 2]" 1
11 1 3 ASP H 1 3 ASP QB 3.000 . 4.100 2.876 2.413 3.186 . 0 0 "[ . 1 . 2]" 1
12 1 3 ASP HA 1 3 ASP QB 2.500 . 3.300 2.260 2.200 2.441 . 0 0 "[ . 1 . 2]" 1
13 1 5 TYR H 1 5 TYR QD 3.000 . 5.500 2.298 1.844 3.205 . 0 0 "[ . 1 . 2]" 1
14 1 5 TYR H 1 5 TYR QE 4.000 . 8.000 4.219 3.875 4.506 . 0 0 "[ . 1 . 2]" 1
15 1 5 TYR HA 1 5 TYR QD 3.000 . 5.500 2.837 1.992 3.206 . 0 0 "[ . 1 . 2]" 1
16 1 5 TYR HA 1 5 TYR QE 4.000 . 8.000 4.668 4.375 4.865 . 0 0 "[ . 1 . 2]" 1
17 1 5 TYR QB 1 5 TYR QD 2.500 . 5.300 2.181 2.146 2.312 . 0 0 "[ . 1 . 2]" 1
18 1 5 TYR QB 1 5 TYR QE 4.000 . 8.000 3.973 3.956 4.011 . 0 0 "[ . 1 . 2]" 1
19 1 6 PRO HA 1 6 PRO QD 4.000 . 7.000 3.430 3.375 3.483 . 0 0 "[ . 1 . 2]" 1
20 1 7 VAL H 1 7 VAL HA 3.000 . 3.500 2.968 2.922 3.009 . 0 0 "[ . 1 . 2]" 1
21 1 7 VAL HA 1 7 VAL HB 2.500 . 2.700 2.514 2.425 2.582 . 0 0 "[ . 1 . 2]" 1
22 1 7 VAL H 1 7 VAL QG 2.500 . 6.300 1.825 1.751 2.127 0.049 2 0 "[ . 1 . 2]" 1
23 1 7 VAL HA 1 7 VAL QG 2.500 . 5.900 2.232 2.113 2.375 . 0 0 "[ . 1 . 2]" 1
24 1 8 ASP H 1 8 ASP HA 3.000 . 3.500 2.885 2.804 2.957 . 0 0 "[ . 1 . 2]" 1
25 1 8 ASP HA 1 8 ASP QB 2.500 . 3.300 2.388 2.203 2.543 . 0 0 "[ . 1 . 2]" 1
26 1 9 TYR H 1 9 TYR HA 3.000 . 3.500 2.957 2.857 3.000 . 0 0 "[ . 1 . 2]" 1
27 1 9 TYR H 1 9 TYR QB 2.500 . 3.300 2.255 1.924 2.927 . 0 0 "[ . 1 . 2]" 1
28 1 9 TYR H 1 9 TYR QD 4.000 . 7.000 3.769 2.584 4.508 . 0 0 "[ . 1 . 2]" 1
29 1 9 TYR HA 1 9 TYR QB 2.500 . 3.300 2.517 2.366 2.552 . 0 0 "[ . 1 . 2]" 1
30 1 9 TYR HA 1 9 TYR QD 2.500 . 4.700 2.570 1.873 2.984 . 0 0 "[ . 1 . 2]" 1
31 1 9 TYR HA 1 9 TYR QE 4.000 . 7.400 4.263 3.976 4.439 . 0 0 "[ . 1 . 2]" 1
32 1 9 TYR QB 1 9 TYR QD 2.500 . 5.300 2.177 2.148 2.333 . 0 0 "[ . 1 . 2]" 1
33 1 9 TYR QB 1 9 TYR QE 4.000 . 8.400 3.974 3.960 4.013 . 0 0 "[ . 1 . 2]" 1
34 1 10 TRP H 1 10 TRP HA 3.000 . 3.500 2.993 2.962 3.005 . 0 0 "[ . 1 . 2]" 1
35 1 10 TRP H 1 10 TRP HD1 4.000 . 5.000 4.648 4.312 4.924 . 0 0 "[ . 1 . 2]" 1
36 1 10 TRP H 1 10 TRP QB 2.500 . 3.300 2.616 2.116 2.862 . 0 0 "[ . 1 . 2]" 1
37 1 10 TRP HA 1 10 TRP HD1 4.000 . 5.000 3.172 2.857 4.588 . 0 0 "[ . 1 . 2]" 1
38 1 10 TRP HA 1 10 TRP HE1 4.000 . 6.000 5.125 4.955 5.545 . 0 0 "[ . 1 . 2]" 1
39 1 10 TRP HA 1 10 TRP HE3 4.000 . 5.000 4.559 1.768 4.902 0.032 6 0 "[ . 1 . 2]" 1
40 1 10 TRP HA 1 10 TRP QB 2.500 . 3.300 2.313 2.249 2.466 . 0 0 "[ . 1 . 2]" 1
41 1 10 TRP QB 1 10 TRP HD1 3.000 . 4.500 2.632 2.570 2.717 . 0 0 "[ . 1 . 2]" 1
42 1 10 TRP QB 1 10 TRP HE3 2.500 . 3.700 2.594 2.479 3.496 . 0 0 "[ . 1 . 2]" 1
43 1 10 TRP H 1 10 TRP HE3 3.000 . 3.500 2.543 1.997 3.193 . 0 0 "[ . 1 . 2]" 1
44 1 11 ASN H 1 11 ASN HA 2.500 . 2.700 2.363 2.353 2.376 . 0 0 "[ . 1 . 2]" 1
45 1 11 ASN H 1 11 ASN HB2 3.000 . 3.500 3.486 3.117 3.637 0.137 17 0 "[ . 1 . 2]" 1
46 1 11 ASN H 1 11 ASN HB3 4.000 . 5.000 4.035 3.996 4.102 . 0 0 "[ . 1 . 2]" 1
47 1 11 ASN HA 1 11 ASN HB2 3.000 . 3.500 3.022 2.885 3.041 . 0 0 "[ . 1 . 2]" 1
48 1 11 ASN HA 1 11 ASN HB3 3.000 . 3.500 2.495 2.399 2.851 . 0 0 "[ . 1 . 2]" 1
49 1 11 ASN HA 1 11 ASN QD 4.000 . 6.000 3.869 3.407 4.162 . 0 0 "[ . 1 . 2]" 1
50 1 11 ASN HB2 1 11 ASN QD 3.000 . 4.200 2.677 2.224 3.168 . 0 0 "[ . 1 . 2]" 1
51 1 12 CYS H 1 12 CYS HA 3.000 . 3.500 2.924 2.845 2.995 . 0 0 "[ . 1 . 2]" 1
52 1 12 CYS H 1 12 CYS QB 3.000 . 4.100 2.179 2.092 2.329 . 0 0 "[ . 1 . 2]" 1
53 1 12 CYS HA 1 12 CYS QB 2.500 . 3.300 2.459 2.385 2.508 . 0 0 "[ . 1 . 2]" 1
54 1 13 LYS H 1 13 LYS HA 3.000 . 3.500 2.914 2.725 3.003 . 0 0 "[ . 1 . 2]" 1
55 1 13 LYS H 1 13 LYS QB 3.000 . 4.500 2.183 1.933 2.696 . 0 0 "[ . 1 . 2]" 1
56 1 13 LYS H 1 13 LYS QG 4.000 . 6.000 3.287 2.220 4.176 . 0 0 "[ . 1 . 2]" 1
57 1 13 LYS H 1 13 LYS QD 3.000 . 4.500 3.420 2.383 4.067 . 0 0 "[ . 1 . 2]" 1
58 1 13 LYS HA 1 13 LYS QG 3.000 . 4.100 2.321 1.922 2.981 . 0 0 "[ . 1 . 2]" 1
59 1 13 LYS HA 1 13 LYS QD 2.500 . 4.200 2.791 1.817 3.838 . 0 0 "[ . 1 . 2]" 1
60 1 15 ILE H 1 15 ILE HA 3.000 . 3.500 2.792 2.357 3.001 . 0 0 "[ . 1 . 2]" 1
61 1 16 CYS H 1 16 CYS HA 3.000 . 3.500 2.975 2.938 3.002 . 0 0 "[ . 1 . 2]" 1
62 1 16 CYS H 1 16 CYS HB2 3.000 . 3.500 3.207 2.723 3.444 . 0 0 "[ . 1 . 2]" 1
63 1 16 CYS H 1 16 CYS HB3 3.000 . 3.500 2.754 2.483 3.125 . 0 0 "[ . 1 . 2]" 1
64 1 16 CYS HA 1 16 CYS HB2 2.500 . 2.700 2.476 2.356 2.694 . 0 0 "[ . 1 . 2]" 1
65 1 17 TRP H 1 17 TRP HA 3.000 . 3.500 2.926 2.760 3.004 . 0 0 "[ . 1 . 2]" 1
66 1 17 TRP H 1 17 TRP QB 3.000 . 4.100 2.110 1.929 2.389 . 0 0 "[ . 1 . 2]" 1
67 1 18 TYR H 1 18 TYR HA 3.000 . 3.500 2.975 2.926 3.004 . 0 0 "[ . 1 . 2]" 1
68 1 18 TYR H 1 18 TYR QB 3.000 . 4.100 2.314 2.016 2.759 . 0 0 "[ . 1 . 2]" 1
69 1 18 TYR HA 1 18 TYR QD 3.000 . 5.500 2.492 1.949 3.135 . 0 0 "[ . 1 . 2]" 1
70 1 18 TYR HA 1 18 TYR QE 4.000 . 5.000 4.253 4.019 4.668 . 0 0 "[ . 1 . 2]" 1
71 1 18 TYR QB 1 18 TYR QD 2.500 . 5.300 2.184 2.150 2.286 . 0 0 "[ . 1 . 2]" 1
72 1 18 TYR QB 1 18 TYR QE 4.000 . 8.600 3.977 3.962 4.006 . 0 0 "[ . 1 . 2]" 1
73 1 20 ASN H 1 20 ASN QB 3.000 . 4.500 2.268 1.919 2.685 . 0 0 "[ . 1 . 2]" 1
74 1 21 LYS H 1 21 LYS HA 3.000 . 3.500 2.965 2.846 3.001 . 0 0 "[ . 1 . 2]" 1
75 1 21 LYS H 1 21 LYS QB 2.500 . 3.700 2.361 1.976 3.087 . 0 0 "[ . 1 . 2]" 1
76 1 21 LYS H 1 21 LYS QG 4.000 . 6.000 3.382 1.915 4.184 . 0 0 "[ . 1 . 2]" 1
77 1 21 LYS HA 1 21 LYS QB 2.500 . 3.300 2.416 2.200 2.550 . 0 0 "[ . 1 . 2]" 1
78 1 21 LYS HA 1 21 LYS QG 3.000 . 4.500 2.442 1.963 3.384 . 0 0 "[ . 1 . 2]" 1
79 1 22 TYR H 1 22 TYR HA 3.000 . 3.500 2.835 2.769 2.903 . 0 0 "[ . 1 . 2]" 1
80 1 22 TYR H 1 22 TYR QB 2.500 . 3.700 2.010 1.921 2.165 . 0 0 "[ . 1 . 2]" 1
81 1 23 CYS H 1 23 CYS HA 3.000 . 3.500 2.921 2.830 3.002 . 0 0 "[ . 1 . 2]" 1
82 1 23 CYS H 1 23 CYS QB 2.500 . 3.700 2.078 1.958 2.269 . 0 0 "[ . 1 . 2]" 1
83 1 24 ASN H 1 24 ASN HA 3.000 . 3.500 2.881 2.750 2.946 . 0 0 "[ . 1 . 2]" 1
84 1 24 ASN H 1 24 ASN QB 2.500 . 3.300 2.124 1.947 2.574 . 0 0 "[ . 1 . 2]" 1
85 1 25 ASP HA 1 25 ASP QB 2.500 . 3.300 2.459 2.306 2.544 . 0 0 "[ . 1 . 2]" 1
86 1 26 LEU H 1 26 LEU HA 3.000 . 3.500 2.896 2.857 2.957 . 0 0 "[ . 1 . 2]" 1
87 1 26 LEU H 1 26 LEU HG 3.000 . 3.500 3.394 3.005 3.573 0.073 13 0 "[ . 1 . 2]" 1
88 1 26 LEU H 1 26 LEU QB 3.000 . 4.100 1.951 1.914 2.021 . 0 0 "[ . 1 . 2]" 1
89 1 26 LEU H 1 26 LEU QD 3.000 . 6.900 3.368 2.360 3.612 . 0 0 "[ . 1 . 2]" 1
90 1 27 CYS H 1 27 CYS HA 3.000 . 3.500 2.849 2.837 2.863 . 0 0 "[ . 1 . 2]" 1
91 1 27 CYS H 1 27 CYS HB3 3.000 . 3.500 3.439 3.367 3.481 . 0 0 "[ . 1 . 2]" 1
92 1 27 CYS H 1 27 CYS HB2 2.500 . 2.700 2.084 1.996 2.167 . 0 0 "[ . 1 . 2]" 1
93 1 27 CYS HA 1 27 CYS HB3 2.500 . 2.700 2.681 2.627 2.759 0.059 19 0 "[ . 1 . 2]" 1
94 1 27 CYS HA 1 27 CYS HB2 3.000 . 3.500 2.988 2.947 3.010 . 0 0 "[ . 1 . 2]" 1
95 1 28 LYS H 1 28 LYS HA 3.000 . 3.500 2.859 2.840 2.879 . 0 0 "[ . 1 . 2]" 1
96 1 28 LYS H 1 28 LYS QB 2.500 . 3.700 2.148 1.923 2.592 . 0 0 "[ . 1 . 2]" 1
97 1 28 LYS H 1 28 LYS QG 3.000 . 4.500 2.961 1.808 3.974 . 0 0 "[ . 1 . 2]" 1
98 1 28 LYS H 1 28 LYS QD 3.000 . 4.100 3.528 3.116 3.770 . 0 0 "[ . 1 . 2]" 1
99 1 29 GLY H 1 29 GLY QA 2.500 . 3.800 2.248 2.238 2.253 . 0 0 "[ . 1 . 2]" 1
100 1 30 LEU H 1 30 LEU HA 3.000 . 3.500 2.957 2.930 2.974 . 0 0 "[ . 1 . 2]" 1
101 1 30 LEU H 1 30 LEU HG 2.500 . 2.700 2.465 2.200 2.723 0.023 8 0 "[ . 1 . 2]" 1
102 1 30 LEU H 1 30 LEU QD 2.500 . 6.100 2.858 1.875 3.314 . 0 0 "[ . 1 . 2]" 1
103 1 30 LEU H 1 30 LEU QB 2.500 . 3.700 2.312 2.162 2.421 . 0 0 "[ . 1 . 2]" 1
104 1 30 LEU HA 1 30 LEU HG 2.500 . 2.700 2.628 2.413 2.735 0.035 8 0 "[ . 1 . 2]" 1
105 1 30 LEU HA 1 30 LEU QD 2.500 . 4.700 2.463 2.025 2.983 . 0 0 "[ . 1 . 2]" 1
106 1 31 LYS H 1 31 LYS HA 2.500 . 2.700 2.414 2.348 2.651 . 0 0 "[ . 1 . 2]" 1
107 1 31 LYS H 1 31 LYS HB3 3.000 . 4.000 3.665 3.411 3.816 . 0 0 "[ . 1 . 2]" 1
108 1 31 LYS H 1 31 LYS HB2 4.000 . 5.000 3.247 3.069 3.766 . 0 0 "[ . 1 . 2]" 1
109 1 31 LYS H 1 31 LYS QG 4.000 . 6.000 4.223 4.108 4.386 . 0 0 "[ . 1 . 2]" 1
110 1 31 LYS H 1 31 LYS QD 4.000 . 6.000 4.494 3.852 5.361 . 0 0 "[ . 1 . 2]" 1
111 1 31 LYS HA 1 31 LYS HB3 3.000 . 3.700 3.021 2.998 3.036 . 0 0 "[ . 1 . 2]" 1
112 1 31 LYS HA 1 31 LYS HB2 2.500 . 2.700 2.547 2.389 2.654 . 0 0 "[ . 1 . 2]" 1
113 1 31 LYS HA 1 31 LYS QG 3.000 . 4.100 2.295 2.070 2.547 . 0 0 "[ . 1 . 2]" 1
114 1 31 LYS HA 1 31 LYS QD 4.000 . 6.000 3.103 2.077 4.058 . 0 0 "[ . 1 . 2]" 1
115 1 32 ALA H 1 32 ALA HA 3.000 . 3.500 2.951 2.926 2.981 . 0 0 "[ . 1 . 2]" 1
116 1 32 ALA H 1 32 ALA MB 2.500 . 4.300 2.159 1.955 2.263 . 0 0 "[ . 1 . 2]" 1
117 1 34 SER H 1 34 SER HA 3.000 . 3.500 2.894 2.845 2.959 . 0 0 "[ . 1 . 2]" 1
118 1 34 SER H 1 34 SER QB 3.000 . 4.100 2.268 1.948 2.863 . 0 0 "[ . 1 . 2]" 1
119 1 34 SER HA 1 34 SER QB 2.500 . 3.300 2.357 2.174 2.549 . 0 0 "[ . 1 . 2]" 1
120 1 36 TYR H 1 36 TYR HA 3.000 . 3.500 2.990 2.939 3.003 . 0 0 "[ . 1 . 2]" 1
121 1 36 TYR H 1 36 TYR QD 3.000 . 5.500 2.519 1.912 3.084 . 0 0 "[ . 1 . 2]" 1
122 1 36 TYR HA 1 36 TYR QB 2.500 . 3.300 2.203 2.194 2.207 . 0 0 "[ . 1 . 2]" 1
123 1 36 TYR HA 1 36 TYR QD 3.000 . 5.900 3.682 3.633 3.710 . 0 0 "[ . 1 . 2]" 1
124 1 36 TYR HA 1 36 TYR QE 4.000 . 7.400 5.600 5.578 5.614 . 0 0 "[ . 1 . 2]" 1
125 1 36 TYR QB 1 36 TYR QD 2.500 . 5.300 2.150 2.147 2.159 . 0 0 "[ . 1 . 2]" 1
126 1 37 CYS H 1 37 CYS QB 3.000 . 4.500 2.183 1.967 2.457 . 0 0 "[ . 1 . 2]" 1
127 1 38 TRP H 1 38 TRP HA 3.000 . 3.500 2.939 2.925 2.980 . 0 0 "[ . 1 . 2]" 1
128 1 38 TRP H 1 38 TRP QB 3.000 . 4.100 2.152 2.049 2.218 . 0 0 "[ . 1 . 2]" 1
129 1 38 TRP HA 1 38 TRP HE3 2.500 . 2.700 2.476 1.964 2.781 0.081 3 0 "[ . 1 . 2]" 1
130 1 38 TRP HA 1 38 TRP HZ3 4.000 . 6.000 4.600 4.171 4.832 . 0 0 "[ . 1 . 2]" 1
131 1 38 TRP QB 1 38 TRP HE3 3.000 . 4.500 2.894 2.764 3.125 . 0 0 "[ . 1 . 2]" 1
132 1 40 TRP HA 1 40 TRP HE3 2.500 . 2.700 2.023 1.835 2.363 . 0 0 "[ . 1 . 2]" 1
133 1 40 TRP HA 1 40 TRP HB2 2.500 . 2.700 2.415 2.361 2.482 . 0 0 "[ . 1 . 2]" 1
134 1 40 TRP HB3 1 40 TRP HE1 4.000 . 5.000 4.731 4.712 4.787 . 0 0 "[ . 1 . 2]" 1
135 1 40 TRP HB2 1 40 TRP HE1 4.000 . 5.000 5.081 5.000 5.133 0.133 9 0 "[ . 1 . 2]" 1
136 1 40 TRP HB3 1 40 TRP HE3 4.000 . 5.000 4.219 4.123 4.250 . 0 0 "[ . 1 . 2]" 1
137 1 40 TRP HB2 1 40 TRP HE3 3.000 . 3.500 3.173 2.941 3.524 0.024 15 0 "[ . 1 . 2]" 1
138 1 40 TRP H 1 40 TRP HA 3.000 . 3.500 2.939 2.924 2.987 . 0 0 "[ . 1 . 2]" 1
139 1 40 TRP H 1 40 TRP HB3 3.000 . 3.500 2.579 2.143 2.905 . 0 0 "[ . 1 . 2]" 1
140 1 40 TRP H 1 40 TRP HB2 4.000 . 5.000 3.134 2.557 3.561 . 0 0 "[ . 1 . 2]" 1
141 1 40 TRP H 1 40 TRP HE3 4.000 . 5.000 4.798 4.450 5.048 0.048 2 0 "[ . 1 . 2]" 1
142 1 40 TRP H 1 40 TRP HD1 4.000 . 6.000 4.996 4.593 5.357 . 0 0 "[ . 1 . 2]" 1
143 1 41 THR H 1 41 THR HA 3.000 . 3.500 2.904 2.840 2.981 . 0 0 "[ . 1 . 2]" 1
144 1 41 THR H 1 41 THR HB 4.000 . 5.000 3.515 3.157 3.949 . 0 0 "[ . 1 . 2]" 1
145 1 41 THR H 1 41 THR MG 2.500 . 5.000 2.563 2.266 3.063 . 0 0 "[ . 1 . 2]" 1
146 1 41 THR HA 1 41 THR MG 2.500 . 4.300 2.981 2.299 3.201 . 0 0 "[ . 1 . 2]" 1
147 1 42 LEU H 1 42 LEU HA 3.000 . 3.500 2.999 2.957 3.009 . 0 0 "[ . 1 . 2]" 1
148 1 42 LEU H 1 42 LEU HG 4.000 . 5.000 3.829 3.394 4.284 . 0 0 "[ . 1 . 2]" 1
149 1 42 LEU H 1 42 LEU QD 3.000 . 6.900 3.407 2.224 3.833 . 0 0 "[ . 1 . 2]" 1
150 1 42 LEU HA 1 42 LEU HG 3.000 . 3.500 2.259 2.025 2.654 . 0 0 "[ . 1 . 2]" 1
151 1 42 LEU HA 1 42 LEU QD 2.500 . 6.100 2.390 1.831 2.862 . 0 0 "[ . 1 . 2]" 1
152 1 43 SER H 1 43 SER HA 3.000 . 3.500 2.409 2.356 2.824 . 0 0 "[ . 1 . 2]" 1
153 1 43 SER H 1 43 SER QB 3.000 . 4.100 3.091 2.780 3.444 . 0 0 "[ . 1 . 2]" 1
154 1 44 CYS H 1 44 CYS HA 3.000 . 3.500 2.913 2.872 2.941 . 0 0 "[ . 1 . 2]" 1
155 1 44 CYS H 1 44 CYS HB3 3.000 . 3.500 2.497 2.112 2.756 . 0 0 "[ . 1 . 2]" 1
156 1 44 CYS H 1 44 CYS HB2 4.000 . 5.000 2.436 2.230 2.895 . 0 0 "[ . 1 . 2]" 1
157 1 44 CYS HA 1 44 CYS HB3 3.000 . 3.500 3.027 3.004 3.040 . 0 0 "[ . 1 . 2]" 1
158 1 44 CYS HA 1 44 CYS HB2 2.500 . 2.700 2.528 2.351 2.657 . 0 0 "[ . 1 . 2]" 1
159 1 45 TYR H 1 45 TYR HA 3.000 . 3.500 2.975 2.913 3.002 . 0 0 "[ . 1 . 2]" 1
160 1 45 TYR H 1 45 TYR QB 3.000 . 4.100 2.542 2.183 2.729 . 0 0 "[ . 1 . 2]" 1
161 1 45 TYR H 1 45 TYR QD 4.000 . 7.000 4.269 4.126 4.362 . 0 0 "[ . 1 . 2]" 1
162 1 45 TYR HA 1 45 TYR QB 2.500 . 3.300 2.431 2.384 2.466 . 0 0 "[ . 1 . 2]" 1
163 1 45 TYR HA 1 45 TYR QD 4.000 . 7.000 2.133 1.804 3.069 . 0 0 "[ . 1 . 2]" 1
164 1 45 TYR HA 1 45 TYR QE 4.000 . 8.000 4.240 4.114 4.582 . 0 0 "[ . 1 . 2]" 1
165 1 46 CYS H 1 46 CYS HA 3.000 . 3.500 2.996 2.964 3.004 . 0 0 "[ . 1 . 2]" 1
166 1 46 CYS H 1 46 CYS HB2 3.000 . 3.500 2.620 2.505 2.768 . 0 0 "[ . 1 . 2]" 1
167 1 46 CYS H 1 46 CYS HB3 4.000 . 5.000 3.775 3.708 3.872 . 0 0 "[ . 1 . 2]" 1
168 1 46 CYS HA 1 46 CYS HB2 3.000 . 3.500 3.038 3.033 3.041 . 0 0 "[ . 1 . 2]" 1
169 1 46 CYS HA 1 46 CYS HB3 2.500 . 2.700 2.470 2.414 2.495 . 0 0 "[ . 1 . 2]" 1
170 1 47 GLN H 1 47 GLN HA 3.000 . 3.500 3.003 3.000 3.006 . 0 0 "[ . 1 . 2]" 1
171 1 47 GLN H 1 47 GLN QB 3.000 . 4.100 2.581 2.325 3.038 . 0 0 "[ . 1 . 2]" 1
172 1 47 GLN H 1 47 GLN QG 4.000 . 6.000 2.797 1.823 3.962 . 0 0 "[ . 1 . 2]" 1
173 1 47 GLN HA 1 47 GLN QB 2.500 . 3.700 2.351 2.198 2.526 . 0 0 "[ . 1 . 2]" 1
174 1 48 GLY H 1 48 GLY QA 2.500 . 3.700 2.348 2.315 2.440 . 0 0 "[ . 1 . 2]" 1
175 1 49 LEU H 1 49 LEU HA 3.000 . 3.500 2.994 2.983 3.002 . 0 0 "[ . 1 . 2]" 1
176 1 49 LEU H 1 49 LEU QB 2.500 . 3.700 3.027 2.947 3.107 . 0 0 "[ . 1 . 2]" 1
177 1 49 LEU H 1 49 LEU QD 3.000 . 6.900 2.016 1.888 2.235 . 0 0 "[ . 1 . 2]" 1
178 1 49 LEU HA 1 49 LEU QD 2.500 . 6.100 2.958 2.472 3.158 . 0 0 "[ . 1 . 2]" 1
179 1 49 LEU H 1 49 LEU HG 3.000 . 3.500 1.845 1.808 1.873 . 0 0 "[ . 1 . 2]" 1
180 1 50 PRO HA 1 50 PRO QG 3.000 . 4.100 3.508 3.497 3.533 . 0 0 "[ . 1 . 2]" 1
181 1 50 PRO HA 1 50 PRO QD 4.000 . 7.000 3.391 3.341 3.522 . 0 0 "[ . 1 . 2]" 1
182 1 51 ASP H 1 51 ASP HA 3.000 . 3.500 2.846 2.830 2.866 . 0 0 "[ . 1 . 2]" 1
183 1 51 ASP H 1 51 ASP HB3 2.500 . 2.700 2.448 2.168 2.689 . 0 0 "[ . 1 . 2]" 1
184 1 51 ASP H 1 51 ASP HB2 3.000 . 3.500 2.425 2.184 2.708 . 0 0 "[ . 1 . 2]" 1
185 1 51 ASP HA 1 51 ASP HB3 3.000 . 3.500 3.032 3.016 3.038 . 0 0 "[ . 1 . 2]" 1
186 1 51 ASP HA 1 51 ASP HB2 2.500 . 2.700 2.476 2.361 2.591 . 0 0 "[ . 1 . 2]" 1
187 1 52 ASN H 1 52 ASN HA 3.000 . 3.500 2.958 2.927 2.987 . 0 0 "[ . 1 . 2]" 1
188 1 52 ASN H 1 52 ASN HB3 3.000 . 3.500 2.670 2.157 3.056 . 0 0 "[ . 1 . 2]" 1
189 1 52 ASN H 1 52 ASN HB2 3.000 . 3.500 2.378 2.083 2.820 . 0 0 "[ . 1 . 2]" 1
190 1 52 ASN HA 1 52 ASN HB3 3.000 . 3.500 3.000 2.898 3.038 . 0 0 "[ . 1 . 2]" 1
191 1 52 ASN HA 1 52 ASN HB2 2.500 . 2.700 2.620 2.368 2.804 0.104 17 0 "[ . 1 . 2]" 1
192 1 52 ASN HA 1 52 ASN QD 3.000 . 4.500 3.212 1.864 4.060 . 0 0 "[ . 1 . 2]" 1
193 1 52 ASN QB 1 52 ASN QD 2.500 . 4.300 2.322 2.179 2.769 . 0 0 "[ . 1 . 2]" 1
194 1 53 ALA H 1 53 ALA HA 2.500 . 3.000 2.839 2.785 2.870 . 0 0 "[ . 1 . 2]" 1
195 1 53 ALA H 1 53 ALA MB 2.500 . 4.300 2.015 1.914 2.150 . 0 0 "[ . 1 . 2]" 1
196 1 54 ARG H 1 54 ARG QB 3.000 . 4.100 2.113 1.934 2.526 . 0 0 "[ . 1 . 2]" 1
197 1 54 ARG H 1 54 ARG QG 4.000 . 6.000 3.515 1.891 3.978 . 0 0 "[ . 1 . 2]" 1
198 1 54 ARG H 1 54 ARG QD 4.000 . 6.000 4.408 1.824 4.966 . 0 0 "[ . 1 . 2]" 1
199 1 54 ARG HA 1 54 ARG QB 2.500 . 3.300 2.409 2.194 2.551 . 0 0 "[ . 1 . 2]" 1
200 1 54 ARG QD 1 54 ARG QH 2.500 . 3.900 2.159 1.845 2.604 . 0 0 "[ . 1 . 2]" 1
201 1 54 ARG QB 1 54 ARG QH 3.000 . 4.700 2.576 1.812 3.392 . 0 0 "[ . 1 . 2]" 1
202 1 54 ARG QG 1 54 ARG QH 3.000 . 4.700 2.581 1.906 3.312 . 0 0 "[ . 1 . 2]" 1
203 1 54 ARG HA 1 54 ARG QD 3.000 . 4.500 3.748 2.134 4.112 . 0 0 "[ . 1 . 2]" 1
204 1 54 ARG HA 1 54 ARG QG 3.000 . 4.100 2.377 1.918 3.325 . 0 0 "[ . 1 . 2]" 1
205 1 55 ILE H 1 55 ILE HA 3.000 . 3.500 2.982 2.947 3.002 . 0 0 "[ . 1 . 2]" 1
206 1 55 ILE H 1 55 ILE HB 4.000 . 5.000 3.497 2.676 3.914 . 0 0 "[ . 1 . 2]" 1
207 1 55 ILE H 1 55 ILE MG 2.500 . 4.700 3.343 2.682 3.974 . 0 0 "[ . 1 . 2]" 1
208 1 55 ILE H 1 55 ILE MD 3.000 . 5.500 2.631 1.760 3.835 0.040 3 0 "[ . 1 . 2]" 1
209 1 55 ILE H 1 55 ILE QG 3.000 . 3.500 2.381 1.841 3.098 . 0 0 "[ . 1 . 2]" 1
210 1 55 ILE HA 1 55 ILE HB 3.000 . 3.500 2.690 2.404 3.030 . 0 0 "[ . 1 . 2]" 1
211 1 55 ILE HA 1 55 ILE MG 3.000 . 6.500 2.234 2.066 2.489 . 0 0 "[ . 1 . 2]" 1
212 1 55 ILE HA 1 55 ILE MD 2.500 . 5.700 3.036 1.860 4.097 . 0 0 "[ . 1 . 2]" 1
213 1 55 ILE H 1 55 ILE HG12 3.000 . 4.500 3.119 2.093 3.850 . 0 0 "[ . 1 . 2]" 1
214 1 55 ILE HA 1 55 ILE HG12 4.000 . 5.000 3.752 2.987 4.252 . 0 0 "[ . 1 . 2]" 1
215 1 56 LYS H 1 56 LYS HA 3.000 . 3.500 2.704 2.375 2.883 . 0 0 "[ . 1 . 2]" 1
216 1 56 LYS H 1 56 LYS QB 3.000 . 4.500 2.428 1.907 3.261 . 0 0 "[ . 1 . 2]" 1
217 1 56 LYS H 1 56 LYS QG 2.500 . 3.700 2.455 1.880 3.382 . 0 0 "[ . 1 . 2]" 1
218 1 56 LYS HA 1 56 LYS QG 3.000 . 4.100 2.716 1.916 3.316 . 0 0 "[ . 1 . 2]" 1
219 1 57 ARG H 1 57 ARG QB 3.000 . 4.100 2.361 2.057 2.720 . 0 0 "[ . 1 . 2]" 1
220 1 57 ARG H 1 57 ARG QG 4.000 . 6.000 3.551 1.947 4.135 . 0 0 "[ . 1 . 2]" 1
221 1 57 ARG H 1 57 ARG QD 4.000 . 6.600 4.151 2.972 4.840 . 0 0 "[ . 1 . 2]" 1
222 1 57 ARG H 1 57 ARG QH 4.000 . 7.000 4.871 3.836 5.623 . 0 0 "[ . 1 . 2]" 1
223 1 57 ARG HA 1 57 ARG QB 2.500 . 3.300 2.416 2.170 2.537 . 0 0 "[ . 1 . 2]" 1
224 1 57 ARG HA 1 57 ARG QG 2.500 . 3.700 2.434 1.986 3.242 . 0 0 "[ . 1 . 2]" 1
225 1 57 ARG HA 1 57 ARG QD 3.000 . 4.500 3.397 1.941 4.180 . 0 0 "[ . 1 . 2]" 1
226 1 57 ARG QB 1 57 ARG QH 3.000 . 4.700 2.689 1.996 3.352 . 0 0 "[ . 1 . 2]" 1
227 1 57 ARG QG 1 57 ARG QH 4.000 . 6.200 2.509 1.918 3.556 . 0 0 "[ . 1 . 2]" 1
228 1 57 ARG QD 1 57 ARG QH 2.500 . 3.900 2.256 1.842 2.630 . 0 0 "[ . 1 . 2]" 1
229 1 58 SER H 1 58 SER HA 3.000 . 3.500 2.687 2.361 3.004 . 0 0 "[ . 1 . 2]" 1
230 1 58 SER H 1 58 SER QB 2.500 . 3.300 2.726 2.029 3.048 . 0 0 "[ . 1 . 2]" 1
231 1 58 SER HA 1 58 SER QB 2.500 . 3.300 2.372 2.165 2.550 . 0 0 "[ . 1 . 2]" 1
232 1 59 GLY H 1 59 GLY QA 2.500 . 3.700 2.413 2.270 2.527 . 0 0 "[ . 1 . 2]" 1
233 1 60 ARG H 1 60 ARG QB 2.500 . 3.300 2.587 2.029 3.061 . 0 0 "[ . 1 . 2]" 1
234 1 60 ARG H 1 60 ARG QG 3.000 . 4.500 2.491 1.805 3.925 . 0 0 "[ . 1 . 2]" 1
235 1 60 ARG H 1 60 ARG QD 3.000 . 4.100 3.074 1.930 3.759 . 0 0 "[ . 1 . 2]" 1
236 1 60 ARG HA 1 60 ARG QB 2.500 . 3.300 2.328 2.182 2.538 . 0 0 "[ . 1 . 2]" 1
237 1 60 ARG HA 1 60 ARG QG 3.000 . 4.500 2.884 2.005 3.376 . 0 0 "[ . 1 . 2]" 1
238 1 60 ARG HA 1 60 ARG QD 4.000 . 6.000 3.251 1.893 4.390 . 0 0 "[ . 1 . 2]" 1
239 1 60 ARG HA 1 60 ARG QH 4.000 . 7.400 4.882 3.698 5.859 . 0 0 "[ . 1 . 2]" 1
240 1 61 CYS H 1 61 CYS HA 3.000 . 3.500 2.625 2.358 3.002 . 0 0 "[ . 1 . 2]" 1
241 1 61 CYS H 1 61 CYS QB 2.500 . 3.700 2.453 1.952 3.181 . 0 0 "[ . 1 . 2]" 1
242 1 61 CYS HA 1 61 CYS QB 2.500 . 3.300 2.411 2.268 2.552 . 0 0 "[ . 1 . 2]" 1
243 1 62 ARG H 1 62 ARG HB2 3.000 . 3.500 2.012 1.959 2.058 . 0 0 "[ . 1 . 2]" 1
244 1 62 ARG H 1 62 ARG HB3 4.000 . 5.000 3.162 3.071 3.279 . 0 0 "[ . 1 . 2]" 1
245 1 62 ARG H 1 62 ARG QG 4.000 . 5.500 3.602 3.247 3.869 . 0 0 "[ . 1 . 2]" 1
246 1 62 ARG H 1 62 ARG QD 4.000 . 6.000 3.953 2.844 4.786 . 0 0 "[ . 1 . 2]" 1
247 1 62 ARG HA 1 62 ARG HB3 3.000 . 4.500 2.857 2.793 2.900 . 0 0 "[ . 1 . 2]" 1
248 1 62 ARG HA 1 62 ARG QG 3.000 . 4.500 1.969 1.912 2.107 . 0 0 "[ . 1 . 2]" 1
249 1 62 ARG HA 1 62 ARG QD 4.000 . 6.000 3.307 2.802 3.872 . 0 0 "[ . 1 . 2]" 1
250 1 62 ARG HB2 1 62 ARG QH 3.000 . 4.000 2.911 2.114 3.432 . 0 0 "[ . 1 . 2]" 1
251 1 62 ARG HB3 1 62 ARG QH 3.000 . 4.000 2.830 2.387 3.470 . 0 0 "[ . 1 . 2]" 1
252 1 62 ARG QG 1 62 ARG QH 3.000 . 4.100 2.474 1.931 2.909 . 0 0 "[ . 1 . 2]" 1
253 1 62 ARG QD 1 62 ARG QH 3.000 . 4.000 2.197 1.852 2.708 . 0 0 "[ . 1 . 2]" 1
254 1 63 ALA H 1 63 ALA HA 3.000 . 3.500 2.883 2.365 2.965 . 0 0 "[ . 1 . 2]" 1
255 1 63 ALA H 1 63 ALA MB 2.500 . 4.300 2.737 2.540 2.862 . 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 488
_Distance_constraint_stats_list.Viol_count 678
_Distance_constraint_stats_list.Viol_total 500.383
_Distance_constraint_stats_list.Viol_max 0.235
_Distance_constraint_stats_list.Viol_rms 0.0129
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0026
_Distance_constraint_stats_list.Viol_average_violations_only 0.0369
_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 1 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 ILE 0.425 0.066 8 0 "[ . 1 . 2]"
1 3 ASP 0.384 0.066 8 0 "[ . 1 . 2]"
1 4 GLY 0.677 0.074 2 0 "[ . 1 . 2]"
1 5 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 PRO 0.047 0.025 11 0 "[ . 1 . 2]"
1 7 VAL 1.873 0.101 11 0 "[ . 1 . 2]"
1 8 ASP 0.768 0.085 2 0 "[ . 1 . 2]"
1 9 TYR 0.089 0.051 20 0 "[ . 1 . 2]"
1 10 TRP 0.828 0.083 4 0 "[ . 1 . 2]"
1 11 ASN 2.375 0.102 19 0 "[ . 1 . 2]"
1 12 CYS 2.127 0.093 15 0 "[ . 1 . 2]"
1 13 LYS 1.284 0.090 10 0 "[ . 1 . 2]"
1 15 ILE 0.287 0.075 11 0 "[ . 1 . 2]"
1 16 CYS 1.383 0.116 2 0 "[ . 1 . 2]"
1 17 TRP 0.057 0.050 13 0 "[ . 1 . 2]"
1 18 TYR 0.291 0.071 9 0 "[ . 1 . 2]"
1 19 ASN 0.417 0.071 7 0 "[ . 1 . 2]"
1 20 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 LYS 0.032 0.023 17 0 "[ . 1 . 2]"
1 22 TYR 0.180 0.071 7 0 "[ . 1 . 2]"
1 23 CYS 0.028 0.024 17 0 "[ . 1 . 2]"
1 24 ASN 1.789 0.089 5 0 "[ . 1 . 2]"
1 25 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 LEU 0.653 0.095 5 0 "[ . 1 . 2]"
1 27 CYS 3.011 0.116 11 0 "[ . 1 . 2]"
1 28 LYS 1.633 0.074 12 0 "[ . 1 . 2]"
1 29 GLY 0.647 0.049 6 0 "[ . 1 . 2]"
1 30 LEU 1.366 0.095 5 0 "[ . 1 . 2]"
1 31 LYS 1.299 0.112 4 0 "[ . 1 . 2]"
1 32 ALA 3.684 0.116 11 0 "[ . 1 . 2]"
1 33 ASP 0.956 0.075 19 0 "[ . 1 . 2]"
1 34 SER 1.099 0.075 19 0 "[ . 1 . 2]"
1 35 GLY 0.645 0.088 6 0 "[ . 1 . 2]"
1 36 TYR 0.275 0.083 4 0 "[ . 1 . 2]"
1 37 CYS 0.017 0.011 10 0 "[ . 1 . 2]"
1 38 TRP 0.378 0.058 18 0 "[ . 1 . 2]"
1 39 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 TRP 1.161 0.065 11 0 "[ . 1 . 2]"
1 41 THR 0.841 0.065 11 0 "[ . 1 . 2]"
1 42 LEU 0.079 0.038 20 0 "[ . 1 . 2]"
1 43 SER 1.348 0.116 2 0 "[ . 1 . 2]"
1 44 CYS 0.236 0.043 12 0 "[ . 1 . 2]"
1 45 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 CYS 0.839 0.083 4 0 "[ . 1 . 2]"
1 47 GLN 0.806 0.074 2 0 "[ . 1 . 2]"
1 48 GLY 0.040 0.014 16 0 "[ . 1 . 2]"
1 49 LEU 4.684 0.235 2 0 "[ . 1 . 2]"
1 50 PRO 0.459 0.054 20 0 "[ . 1 . 2]"
1 51 ASP 0.471 0.105 9 0 "[ . 1 . 2]"
1 52 ASN 0.190 0.054 20 0 "[ . 1 . 2]"
1 53 ALA 3.445 0.235 2 0 "[ . 1 . 2]"
1 54 ARG 0.053 0.053 7 0 "[ . 1 . 2]"
1 55 ILE 0.493 0.091 10 0 "[ . 1 . 2]"
1 56 LYS 0.805 0.101 11 0 "[ . 1 . 2]"
1 57 ARG 0.059 0.033 9 0 "[ . 1 . 2]"
1 58 SER 0.216 0.046 19 0 "[ . 1 . 2]"
1 59 GLY 0.017 0.017 11 0 "[ . 1 . 2]"
1 60 ARG 0.455 0.118 18 0 "[ . 1 . 2]"
1 61 CYS 1.728 0.118 18 0 "[ . 1 . 2]"
1 62 ARG 0.539 0.055 4 0 "[ . 1 . 2]"
1 63 ALA 0.069 0.031 8 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 49 LEU H 4.000 . 5.000 3.834 3.399 4.466 . 0 0 "[ . 1 . 2]" 2
2 1 2 ILE H 1 3 ASP H 4.000 . 5.000 4.492 4.418 4.542 . 0 0 "[ . 1 . 2]" 2
3 1 2 ILE H 1 48 GLY H 3.000 . 3.500 3.366 2.848 3.514 0.014 16 0 "[ . 1 . 2]" 2
4 1 2 ILE HA 1 3 ASP H 2.500 . 2.700 2.398 2.329 2.449 . 0 0 "[ . 1 . 2]" 2
5 1 2 ILE HB 1 3 ASP H 3.000 . 4.000 3.999 3.808 4.066 0.066 8 0 "[ . 1 . 2]" 2
6 1 2 ILE MG 1 3 ASP H 3.000 . 5.500 3.399 3.099 3.834 . 0 0 "[ . 1 . 2]" 2
7 1 2 ILE H 1 48 GLY QA 4.000 . 7.000 3.510 2.932 3.826 . 0 0 "[ . 1 . 2]" 2
8 1 2 ILE H 1 49 LEU HG 3.000 . 3.500 3.017 2.823 3.387 . 0 0 "[ . 1 . 2]" 2
9 1 2 ILE H 1 49 LEU QD 4.000 . 9.400 3.687 3.563 3.848 . 0 0 "[ . 1 . 2]" 2
10 1 2 ILE HA 1 49 LEU H 4.000 . 5.000 4.766 4.276 4.992 . 0 0 "[ . 1 . 2]" 2
11 1 2 ILE HA 1 49 LEU QD 4.000 . 9.400 4.678 4.525 4.827 . 0 0 "[ . 1 . 2]" 2
12 1 2 ILE MG 1 49 LEU H 3.000 . 5.500 2.646 1.852 3.014 . 0 0 "[ . 1 . 2]" 2
13 1 2 ILE MG 1 51 ASP H 3.000 . 5.500 3.916 3.227 4.250 . 0 0 "[ . 1 . 2]" 2
14 1 2 ILE MG 1 51 ASP HA 2.500 . 4.700 2.691 2.286 3.137 . 0 0 "[ . 1 . 2]" 2
15 1 2 ILE MG 1 51 ASP HB2 4.000 . 6.000 4.542 3.894 4.843 . 0 0 "[ . 1 . 2]" 2
16 1 2 ILE HB 1 53 ALA MB 3.000 . 5.500 4.396 4.227 4.519 . 0 0 "[ . 1 . 2]" 2
17 1 2 ILE MG 1 53 ALA H 4.000 . 7.000 3.128 2.922 3.462 . 0 0 "[ . 1 . 2]" 2
18 1 2 ILE MG 1 53 ALA HA 3.000 . 5.500 4.577 4.466 4.632 . 0 0 "[ . 1 . 2]" 2
19 1 2 ILE MG 1 53 ALA MB 3.000 . 6.500 2.151 1.967 2.314 . 0 0 "[ . 1 . 2]" 2
20 1 2 ILE MD 1 53 ALA HA 4.000 . 7.000 5.418 4.972 5.601 . 0 0 "[ . 1 . 2]" 2
21 1 2 ILE MD 1 51 ASP HA 2.500 . 4.700 2.253 1.857 2.547 . 0 0 "[ . 1 . 2]" 2
22 1 2 ILE H 1 50 PRO HA 4.000 . 5.000 4.431 4.102 4.742 . 0 0 "[ . 1 . 2]" 2
23 1 2 ILE MD 1 51 ASP H 4.000 . 6.000 4.661 4.367 4.851 . 0 0 "[ . 1 . 2]" 2
24 1 2 ILE MD 1 3 ASP H 3.000 . 5.500 3.749 3.625 3.889 . 0 0 "[ . 1 . 2]" 2
25 1 2 ILE MD 1 49 LEU HG 3.000 . 5.500 4.325 4.068 4.501 . 0 0 "[ . 1 . 2]" 2
26 1 2 ILE MD 1 53 ALA H 3.000 . 5.500 3.593 2.930 4.029 . 0 0 "[ . 1 . 2]" 2
27 1 3 ASP HA 1 4 GLY H 2.500 . 2.700 2.251 2.215 2.456 . 0 0 "[ . 1 . 2]" 2
28 1 3 ASP QB 1 4 GLY H 3.000 . 4.500 3.246 2.541 3.809 . 0 0 "[ . 1 . 2]" 2
29 1 3 ASP QB 1 45 TYR QE 3.000 . 5.500 3.009 2.013 4.165 . 0 0 "[ . 1 . 2]" 2
30 1 3 ASP QB 1 47 GLN HA 4.000 . 6.000 2.784 2.008 3.422 . 0 0 "[ . 1 . 2]" 2
31 1 3 ASP HA 1 48 GLY H 3.000 . 3.500 3.241 2.921 3.483 . 0 0 "[ . 1 . 2]" 2
32 1 3 ASP HA 1 49 LEU QD 4.000 . 8.000 2.548 2.254 2.860 . 0 0 "[ . 1 . 2]" 2
33 1 4 GLY H 1 5 TYR H 4.000 . 6.000 4.331 4.201 4.402 . 0 0 "[ . 1 . 2]" 2
34 1 4 GLY H 1 47 GLN HA 3.000 . 3.500 3.532 3.460 3.574 0.074 2 0 "[ . 1 . 2]" 2
35 1 4 GLY QA 1 5 TYR H 3.000 . 4.500 2.273 2.205 2.321 . 0 0 "[ . 1 . 2]" 2
36 1 4 GLY H 1 45 TYR QD 4.000 . 8.000 3.793 2.972 5.032 . 0 0 "[ . 1 . 2]" 2
37 1 4 GLY H 1 45 TYR QE 3.000 . 5.500 3.479 2.270 4.995 . 0 0 "[ . 1 . 2]" 2
38 1 4 GLY QA 1 45 TYR QE 2.500 . 5.700 3.188 1.931 4.637 . 0 0 "[ . 1 . 2]" 2
39 1 4 GLY H 1 46 CYS H 3.000 . 3.500 3.294 3.124 3.478 . 0 0 "[ . 1 . 2]" 2
40 1 4 GLY H 1 48 GLY H 4.000 . 6.000 5.206 4.874 5.494 . 0 0 "[ . 1 . 2]" 2
41 1 4 GLY H 1 49 LEU QD 3.000 . 6.500 2.919 2.232 3.303 . 0 0 "[ . 1 . 2]" 2
42 1 4 GLY QA 1 55 ILE MG 3.000 . 6.500 2.969 2.421 4.172 . 0 0 "[ . 1 . 2]" 2
43 1 4 GLY QA 1 55 ILE MD 3.000 . 6.500 3.572 1.968 4.559 . 0 0 "[ . 1 . 2]" 2
44 1 4 GLY QA 1 55 ILE HB 4.000 . 6.000 3.997 3.083 5.140 . 0 0 "[ . 1 . 2]" 2
45 1 5 TYR QE 1 38 TRP H 4.000 . 8.000 6.044 4.307 7.243 . 0 0 "[ . 1 . 2]" 2
46 1 5 TYR QE 1 42 LEU QD 3.000 . 8.900 2.651 1.805 4.346 . 0 0 "[ . 1 . 2]" 2
47 1 5 TYR QD 1 43 SER QB 3.000 . 5.500 2.860 1.913 3.842 . 0 0 "[ . 1 . 2]" 2
48 1 5 TYR QE 1 43 SER QB 3.000 . 6.100 4.452 3.829 4.998 . 0 0 "[ . 1 . 2]" 2
49 1 5 TYR H 1 45 TYR QD 4.000 . 8.400 4.860 3.458 6.144 . 0 0 "[ . 1 . 2]" 2
50 1 5 TYR H 1 45 TYR QE 4.000 . 7.000 5.310 3.543 6.463 . 0 0 "[ . 1 . 2]" 2
51 1 5 TYR HA 1 45 TYR HA 3.000 . 3.500 2.428 1.971 2.744 . 0 0 "[ . 1 . 2]" 2
52 1 5 TYR QD 1 45 TYR HA 3.000 . 5.500 2.837 1.834 3.721 . 0 0 "[ . 1 . 2]" 2
53 1 5 TYR QD 1 45 TYR QB 3.000 . 6.100 2.948 2.099 3.675 . 0 0 "[ . 1 . 2]" 2
54 1 5 TYR QD 1 45 TYR QD 3.000 . 7.500 3.284 2.460 4.300 . 0 0 "[ . 1 . 2]" 2
55 1 5 TYR QD 1 45 TYR QE 3.000 . 7.500 4.312 2.770 4.967 . 0 0 "[ . 1 . 2]" 2
56 1 5 TYR QE 1 45 TYR HA 4.000 . 8.000 3.965 3.324 4.547 . 0 0 "[ . 1 . 2]" 2
57 1 5 TYR QE 1 45 TYR QB 3.000 . 6.500 2.930 1.865 3.878 . 0 0 "[ . 1 . 2]" 2
58 1 5 TYR QE 1 45 TYR QD 3.000 . 7.500 2.827 1.939 3.393 . 0 0 "[ . 1 . 2]" 2
59 1 5 TYR QE 1 45 TYR QE 3.000 . 7.500 3.224 2.398 3.943 . 0 0 "[ . 1 . 2]" 2
60 1 5 TYR HA 1 46 CYS H 3.000 . 3.500 3.259 3.018 3.459 . 0 0 "[ . 1 . 2]" 2
61 1 5 TYR QD 1 46 CYS H 4.000 . 8.000 4.582 3.266 5.327 . 0 0 "[ . 1 . 2]" 2
62 1 5 TYR H 1 55 ILE HB 4.000 . 5.000 3.320 2.192 4.908 . 0 0 "[ . 1 . 2]" 2
63 1 5 TYR QD 1 55 ILE HB 4.000 . 8.000 4.998 3.735 6.481 . 0 0 "[ . 1 . 2]" 2
64 1 5 TYR QD 1 55 ILE MD 4.000 . 9.400 5.166 3.876 6.256 . 0 0 "[ . 1 . 2]" 2
65 1 5 TYR H 1 56 LYS H 4.000 . 5.000 3.667 2.769 4.758 . 0 0 "[ . 1 . 2]" 2
66 1 5 TYR H 1 56 LYS QG 4.000 . 7.000 3.662 2.434 5.838 . 0 0 "[ . 1 . 2]" 2
67 1 5 TYR QB 1 56 LYS H 4.000 . 6.000 3.179 2.686 3.734 . 0 0 "[ . 1 . 2]" 2
68 1 5 TYR QD 1 56 LYS H 4.000 . 8.000 4.589 3.682 5.564 . 0 0 "[ . 1 . 2]" 2
69 1 5 TYR QD 1 56 LYS QG 3.000 . 6.100 3.354 2.038 5.015 . 0 0 "[ . 1 . 2]" 2
70 1 5 TYR H 1 55 ILE MG 4.000 . 8.000 2.851 1.820 4.216 . 0 0 "[ . 1 . 2]" 2
71 1 5 TYR H 1 55 ILE MD 4.000 . 8.000 3.827 2.426 5.045 . 0 0 "[ . 1 . 2]" 2
72 1 5 TYR HA 1 6 PRO QD 2.500 . 3.700 1.928 1.900 1.961 . 0 0 "[ . 1 . 2]" 2
73 1 6 PRO HA 1 7 VAL H 2.500 . 2.700 2.237 2.194 2.278 . 0 0 "[ . 1 . 2]" 2
74 1 6 PRO HA 1 7 VAL QG 2.500 . 6.100 3.215 3.086 3.360 . 0 0 "[ . 1 . 2]" 2
75 1 6 PRO QB 1 7 VAL QG 3.000 . 7.900 3.986 3.816 4.205 . 0 0 "[ . 1 . 2]" 2
76 1 6 PRO HA 1 55 ILE MG 2.500 . 4.700 2.373 1.791 3.696 0.009 20 0 "[ . 1 . 2]" 2
77 1 6 PRO HA 1 55 ILE MD 2.500 . 5.700 3.915 2.010 4.778 . 0 0 "[ . 1 . 2]" 2
78 1 6 PRO HA 1 56 LYS H 4.000 . 5.000 3.936 3.077 4.235 . 0 0 "[ . 1 . 2]" 2
79 1 6 PRO HA 1 30 LEU QD 4.000 . 8.400 5.020 4.075 5.724 . 0 0 "[ . 1 . 2]" 2
80 1 6 PRO QD 1 46 CYS H 3.000 . 4.500 2.443 2.018 3.230 . 0 0 "[ . 1 . 2]" 2
81 1 6 PRO QB 1 27 CYS HA 4.000 . 6.000 4.402 3.889 5.078 . 0 0 "[ . 1 . 2]" 2
82 1 6 PRO HA 1 55 ILE HB 4.000 . 5.000 3.816 2.369 5.025 0.025 11 0 "[ . 1 . 2]" 2
83 1 7 VAL HA 1 8 ASP H 2.500 . 2.700 2.705 2.542 2.785 0.085 2 0 "[ . 1 . 2]" 2
84 1 7 VAL HB 1 8 ASP H 2.500 . 2.700 2.079 1.861 2.354 . 0 0 "[ . 1 . 2]" 2
85 1 7 VAL QG 1 8 ASP H 2.500 . 6.100 2.894 2.488 3.171 . 0 0 "[ . 1 . 2]" 2
86 1 7 VAL QG 1 8 ASP HA 4.000 . 9.400 4.210 3.847 4.474 . 0 0 "[ . 1 . 2]" 2
87 1 7 VAL QG 1 11 ASN H 3.000 . 6.900 3.241 2.622 3.536 . 0 0 "[ . 1 . 2]" 2
88 1 7 VAL QG 1 11 ASN HA 2.500 . 6.100 2.941 2.379 3.304 . 0 0 "[ . 1 . 2]" 2
89 1 7 VAL QG 1 54 ARG HA 3.000 . 6.900 4.666 4.073 5.041 . 0 0 "[ . 1 . 2]" 2
90 1 7 VAL QG 1 54 ARG QB 3.000 . 7.900 3.702 2.732 4.442 . 0 0 "[ . 1 . 2]" 2
91 1 7 VAL QG 1 54 ARG QG 3.000 . 7.900 3.311 2.210 4.593 . 0 0 "[ . 1 . 2]" 2
92 1 7 VAL QG 1 54 ARG QD 3.000 . 6.900 2.875 1.835 3.958 . 0 0 "[ . 1 . 2]" 2
93 1 7 VAL QG 1 54 ARG QH 3.000 . 6.900 2.879 1.747 3.872 0.053 7 0 "[ . 1 . 2]" 2
94 1 7 VAL H 1 55 ILE MD 3.000 . 6.500 4.924 3.604 5.419 . 0 0 "[ . 1 . 2]" 2
95 1 7 VAL QG 1 55 ILE H 4.000 . 8.400 3.843 3.167 4.484 . 0 0 "[ . 1 . 2]" 2
96 1 7 VAL QG 1 55 ILE HA 2.500 . 6.100 2.770 2.182 3.399 . 0 0 "[ . 1 . 2]" 2
97 1 7 VAL H 1 55 ILE HA 3.000 . 3.500 2.557 2.029 3.528 0.028 15 0 "[ . 1 . 2]" 2
98 1 7 VAL QG 1 55 ILE HB 3.000 . 6.000 4.159 3.578 4.503 . 0 0 "[ . 1 . 2]" 2
99 1 7 VAL H 1 56 LYS H 4.000 . 6.000 4.103 2.426 5.063 . 0 0 "[ . 1 . 2]" 2
100 1 7 VAL QG 1 56 LYS H 2.500 . 6.100 2.739 1.734 3.307 0.066 9 0 "[ . 1 . 2]" 2
101 1 7 VAL QG 1 56 LYS HA 2.500 . 6.100 2.385 1.703 3.417 0.097 16 0 "[ . 1 . 2]" 2
102 1 7 VAL QG 1 56 LYS QB 3.000 . 7.900 3.298 1.946 4.555 . 0 0 "[ . 1 . 2]" 2
103 1 7 VAL QG 1 56 LYS QG 2.500 . 7.100 3.414 1.699 4.175 0.101 11 0 "[ . 1 . 2]" 2
104 1 7 VAL QG 1 57 ARG H 3.000 . 6.900 2.866 1.953 3.565 . 0 0 "[ . 1 . 2]" 2
105 1 7 VAL HA 1 16 CYS H 4.000 . 5.000 4.793 4.261 5.061 0.061 19 0 "[ . 1 . 2]" 2
106 1 7 VAL HB 1 11 ASN HA 2.500 . 2.700 2.715 2.544 2.787 0.087 9 0 "[ . 1 . 2]" 2
107 1 7 VAL HB 1 16 CYS H 4.000 . 6.000 5.770 5.394 6.021 0.021 13 0 "[ . 1 . 2]" 2
108 1 7 VAL QG 1 16 CYS H 3.000 . 6.900 4.761 4.569 4.914 . 0 0 "[ . 1 . 2]" 2
109 1 7 VAL HB 1 15 ILE HA 3.000 . 3.500 2.634 2.264 3.094 . 0 0 "[ . 1 . 2]" 2
110 1 7 VAL QG 1 15 ILE HA 3.000 . 6.900 2.131 1.820 2.554 . 0 0 "[ . 1 . 2]" 2
111 1 7 VAL H 1 15 ILE HA 4.000 . 5.000 4.735 4.357 5.075 0.075 11 0 "[ . 1 . 2]" 2
112 1 7 VAL HB 1 11 ASN H 3.000 . 4.000 3.915 3.330 4.035 0.035 8 0 "[ . 1 . 2]" 2
113 1 8 ASP H 1 11 ASN HA 3.000 . 3.500 3.366 2.589 3.562 0.062 17 0 "[ . 1 . 2]" 2
114 1 8 ASP HA 1 11 ASN H 4.000 . 6.000 5.071 4.224 5.675 . 0 0 "[ . 1 . 2]" 2
115 1 8 ASP HA 1 9 TYR H 3.000 . 3.500 3.106 2.467 3.551 0.051 20 0 "[ . 1 . 2]" 2
116 1 8 ASP HA 1 9 TYR HA 4.000 . 6.000 4.525 4.398 4.767 . 0 0 "[ . 1 . 2]" 2
117 1 8 ASP HA 1 9 TYR QB 4.000 . 6.000 4.384 4.072 4.825 . 0 0 "[ . 1 . 2]" 2
118 1 8 ASP QB 1 9 TYR H 2.500 . 3.700 2.151 1.823 3.214 . 0 0 "[ . 1 . 2]" 2
119 1 8 ASP H 1 15 ILE HA 3.000 . 3.500 3.175 2.417 3.512 0.012 14 0 "[ . 1 . 2]" 2
120 1 8 ASP HA 1 10 TRP H 4.000 . 6.000 5.048 3.955 6.057 0.057 6 0 "[ . 1 . 2]" 2
121 1 8 ASP QB 1 10 TRP H 4.000 . 6.000 3.089 2.031 4.408 . 0 0 "[ . 1 . 2]" 2
122 1 8 ASP H 1 9 TYR H 4.000 . 6.000 3.966 2.518 4.691 . 0 0 "[ . 1 . 2]" 2
123 1 9 TYR HA 1 10 TRP H 4.000 . 5.000 3.514 3.358 3.592 . 0 0 "[ . 1 . 2]" 2
124 1 9 TYR H 1 10 TRP H 2.500 . 2.700 2.375 1.965 2.708 0.008 20 0 "[ . 1 . 2]" 2
125 1 9 TYR H 1 11 ASN H 4.000 . 5.000 3.306 2.271 4.048 . 0 0 "[ . 1 . 2]" 2
126 1 9 TYR QB 1 10 TRP H 4.000 . 6.000 2.636 1.806 3.258 . 0 0 "[ . 1 . 2]" 2
127 1 9 TYR QB 1 10 TRP HE1 4.000 . 7.000 3.766 2.851 6.100 . 0 0 "[ . 1 . 2]" 2
128 1 9 TYR QB 1 10 TRP HE3 4.000 . 6.000 3.225 2.678 4.242 . 0 0 "[ . 1 . 2]" 2
129 1 9 TYR QD 1 10 TRP H 4.000 . 7.000 4.337 3.014 4.862 . 0 0 "[ . 1 . 2]" 2
130 1 9 TYR QD 1 10 TRP HA 4.000 . 8.000 4.962 3.609 5.988 . 0 0 "[ . 1 . 2]" 2
131 1 9 TYR QD 1 10 TRP HD1 4.000 . 7.000 4.673 3.052 5.704 . 0 0 "[ . 1 . 2]" 2
132 1 9 TYR QD 1 10 TRP HE1 4.000 . 7.000 3.784 2.346 4.998 . 0 0 "[ . 1 . 2]" 2
133 1 9 TYR QD 1 10 TRP HZ2 3.000 . 5.500 3.738 2.686 4.694 . 0 0 "[ . 1 . 2]" 2
134 1 9 TYR QE 1 10 TRP HE1 4.000 . 7.000 5.122 2.694 6.513 . 0 0 "[ . 1 . 2]" 2
135 1 9 TYR HA 1 54 ARG QD 3.000 . 4.500 3.191 2.021 3.999 . 0 0 "[ . 1 . 2]" 2
136 1 9 TYR QD 1 54 ARG QD 4.000 . 9.000 4.200 2.140 5.607 . 0 0 "[ . 1 . 2]" 2
137 1 9 TYR H 1 10 TRP HE3 4.000 . 5.000 3.610 2.818 4.906 . 0 0 "[ . 1 . 2]" 2
138 1 9 TYR QE 1 10 TRP HZ2 4.000 . 8.000 4.818 2.808 5.875 . 0 0 "[ . 1 . 2]" 2
139 1 9 TYR QE 1 10 TRP HH2 4.000 . 7.000 5.526 3.300 6.311 . 0 0 "[ . 1 . 2]" 2
140 1 9 TYR QD 1 10 TRP HE3 4.000 . 8.000 5.087 3.600 5.600 . 0 0 "[ . 1 . 2]" 2
141 1 9 TYR HA 1 54 ARG QH 4.000 . 6.000 2.789 1.845 4.360 . 0 0 "[ . 1 . 2]" 2
142 1 10 TRP H 1 11 ASN H 2.500 . 2.700 2.326 1.840 2.757 0.057 6 0 "[ . 1 . 2]" 2
143 1 10 TRP H 1 11 ASN HA 4.000 . 5.000 4.503 4.103 4.917 . 0 0 "[ . 1 . 2]" 2
144 1 10 TRP HA 1 11 ASN H 3.000 . 3.500 3.154 2.962 3.291 . 0 0 "[ . 1 . 2]" 2
145 1 10 TRP HA 1 11 ASN HA 4.000 . 6.000 5.099 4.974 5.197 . 0 0 "[ . 1 . 2]" 2
146 1 10 TRP QB 1 11 ASN H 4.000 . 6.000 3.602 3.411 3.801 . 0 0 "[ . 1 . 2]" 2
147 1 10 TRP QB 1 61 CYS HA 4.000 . 6.000 3.351 3.048 3.701 . 0 0 "[ . 1 . 2]" 2
148 1 10 TRP HD1 1 62 ARG H 4.000 . 6.000 4.339 4.086 4.524 . 0 0 "[ . 1 . 2]" 2
149 1 10 TRP HD1 1 62 ARG HB2 3.000 . 3.500 3.275 2.999 3.542 0.042 6 0 "[ . 1 . 2]" 2
150 1 10 TRP HD1 1 62 ARG HB3 3.000 . 3.500 1.925 1.839 2.125 . 0 0 "[ . 1 . 2]" 2
151 1 10 TRP HD1 1 62 ARG QG 3.000 . 4.500 3.838 3.492 4.084 . 0 0 "[ . 1 . 2]" 2
152 1 10 TRP HE1 1 62 ARG QG 4.000 . 7.000 5.901 4.961 6.281 . 0 0 "[ . 1 . 2]" 2
153 1 10 TRP HE3 1 62 ARG HB2 4.000 . 6.000 5.948 5.058 6.055 0.055 4 0 "[ . 1 . 2]" 2
154 1 10 TRP HE3 1 62 ARG HB3 4.000 . 6.000 5.953 5.154 6.052 0.052 8 0 "[ . 1 . 2]" 2
155 1 10 TRP QB 1 62 ARG H 3.000 . 4.500 1.922 1.816 2.253 . 0 0 "[ . 1 . 2]" 2
156 1 10 TRP HD1 1 63 ALA HA 4.000 . 5.000 4.756 3.822 5.031 0.031 8 0 "[ . 1 . 2]" 2
157 1 10 TRP HD1 1 63 ALA MB 3.000 . 4.500 3.335 2.396 3.608 . 0 0 "[ . 1 . 2]" 2
158 1 10 TRP HE1 1 63 ALA MB 4.000 . 5.300 3.896 3.576 4.198 . 0 0 "[ . 1 . 2]" 2
159 1 10 TRP HE3 1 63 ALA MB 4.000 . 7.000 3.819 2.398 5.887 . 0 0 "[ . 1 . 2]" 2
160 1 10 TRP QB 1 63 ALA H 4.000 . 6.000 3.360 2.614 3.800 . 0 0 "[ . 1 . 2]" 2
161 1 10 TRP HE3 1 11 ASN H 4.000 . 5.000 4.427 3.917 4.992 . 0 0 "[ . 1 . 2]" 2
162 1 10 TRP H 1 13 LYS H 4.000 . 5.000 4.551 3.394 5.083 0.083 4 0 "[ . 1 . 2]" 2
163 1 10 TRP HA 1 62 ARG H 4.000 . 5.000 3.219 2.905 4.160 . 0 0 "[ . 1 . 2]" 2
164 1 11 ASN HA 1 12 CYS H 4.000 . 5.000 3.177 2.929 3.313 . 0 0 "[ . 1 . 2]" 2
165 1 11 ASN H 1 12 CYS H 2.500 . 2.700 2.719 2.662 2.752 0.052 15 0 "[ . 1 . 2]" 2
166 1 11 ASN HB2 1 58 SER HA 4.000 . 6.000 5.360 3.555 6.031 0.031 2 0 "[ . 1 . 2]" 2
167 1 11 ASN HB3 1 58 SER HA 4.000 . 6.000 4.937 2.042 6.036 0.036 7 0 "[ . 1 . 2]" 2
168 1 11 ASN QD 1 59 GLY H 4.000 . 7.000 4.207 2.843 5.177 . 0 0 "[ . 1 . 2]" 2
169 1 11 ASN QD 1 59 GLY QA 3.000 . 5.500 3.479 2.417 4.093 . 0 0 "[ . 1 . 2]" 2
170 1 11 ASN QD 1 60 ARG H 4.000 . 6.000 4.601 2.994 5.205 . 0 0 "[ . 1 . 2]" 2
171 1 11 ASN HB2 1 61 CYS HA 3.000 . 3.500 3.518 3.272 3.602 0.102 19 0 "[ . 1 . 2]" 2
172 1 11 ASN HB3 1 61 CYS HA 4.000 . 5.000 4.627 3.212 5.038 0.038 17 0 "[ . 1 . 2]" 2
173 1 11 ASN HB2 1 62 ARG H 4.000 . 6.000 3.636 3.316 4.037 . 0 0 "[ . 1 . 2]" 2
174 1 11 ASN HB3 1 62 ARG H 4.000 . 6.000 5.237 4.179 5.728 . 0 0 "[ . 1 . 2]" 2
175 1 12 CYS H 1 13 LYS H 3.000 . 3.500 2.615 2.171 2.973 . 0 0 "[ . 1 . 2]" 2
176 1 12 CYS HA 1 13 LYS H 3.000 . 3.500 3.554 3.413 3.590 0.090 10 0 "[ . 1 . 2]" 2
177 1 12 CYS QB 1 13 LYS H 3.000 . 4.500 2.297 1.840 3.110 . 0 0 "[ . 1 . 2]" 2
178 1 12 CYS H 1 62 ARG H 4.000 . 5.000 3.970 3.595 4.478 . 0 0 "[ . 1 . 2]" 2
179 1 12 CYS H 1 61 CYS HA 3.000 . 3.500 3.461 2.997 3.593 0.093 15 0 "[ . 1 . 2]" 2
180 1 12 CYS HA 1 61 CYS HA 3.000 . 3.500 2.782 1.952 3.509 0.009 9 0 "[ . 1 . 2]" 2
181 1 15 ILE H 1 16 CYS H 4.000 . 5.000 2.809 1.857 4.176 . 0 0 "[ . 1 . 2]" 2
182 1 15 ILE HA 1 16 CYS H 3.000 . 3.500 3.384 3.042 3.566 0.066 8 0 "[ . 1 . 2]" 2
183 1 16 CYS H 1 17 TRP H 4.000 . 5.000 4.292 3.811 4.492 . 0 0 "[ . 1 . 2]" 2
184 1 16 CYS HA 1 17 TRP H 2.500 . 2.700 2.328 2.207 2.675 . 0 0 "[ . 1 . 2]" 2
185 1 16 CYS HB2 1 17 TRP H 4.000 . 5.000 4.163 3.812 4.617 . 0 0 "[ . 1 . 2]" 2
186 1 16 CYS HB3 1 17 TRP H 4.000 . 5.000 3.999 2.755 4.482 . 0 0 "[ . 1 . 2]" 2
187 1 16 CYS H 1 43 SER H 4.000 . 6.000 6.046 5.893 6.116 0.116 2 0 "[ . 1 . 2]" 2
188 1 16 CYS HB3 1 43 SER HA 4.000 . 5.000 2.676 2.145 3.533 . 0 0 "[ . 1 . 2]" 2
189 1 16 CYS QB 1 44 CYS H 4.000 . 6.000 2.326 1.853 3.124 . 0 0 "[ . 1 . 2]" 2
190 1 17 TRP HE1 1 18 TYR QD 4.000 . 8.000 6.366 5.153 7.136 . 0 0 "[ . 1 . 2]" 2
191 1 17 TRP HE1 1 22 TYR QB 4.000 . 7.000 5.486 4.394 6.400 . 0 0 "[ . 1 . 2]" 2
192 1 17 TRP HE3 1 22 TYR HA 4.000 . 5.000 4.438 3.402 5.003 0.003 15 0 "[ . 1 . 2]" 2
193 1 17 TRP HE3 1 22 TYR QB 3.000 . 4.500 2.372 1.750 3.333 0.050 13 0 "[ . 1 . 2]" 2
194 1 17 TRP HE3 1 23 CYS HA 4.000 . 6.000 4.136 2.534 6.003 0.003 16 0 "[ . 1 . 2]" 2
195 1 17 TRP HE3 1 23 CYS QB 4.000 . 6.000 4.493 2.949 5.415 . 0 0 "[ . 1 . 2]" 2
196 1 18 TYR HA 1 19 ASN H 3.000 . 3.500 3.187 2.323 3.571 0.071 9 0 "[ . 1 . 2]" 2
197 1 18 TYR H 1 19 ASN H 4.000 . 5.000 2.514 1.959 4.171 . 0 0 "[ . 1 . 2]" 2
198 1 18 TYR QB 1 19 ASN H 3.000 . 4.500 3.233 1.951 4.025 . 0 0 "[ . 1 . 2]" 2
199 1 18 TYR QD 1 39 GLY QA 4.000 . 8.000 5.579 3.784 6.436 . 0 0 "[ . 1 . 2]" 2
200 1 18 TYR QE 1 39 GLY QA 4.000 . 8.000 5.487 4.368 6.513 . 0 0 "[ . 1 . 2]" 2
201 1 19 ASN HA 1 20 ASN H 2.500 . 2.700 2.331 2.213 2.623 . 0 0 "[ . 1 . 2]" 2
202 1 19 ASN HA 1 21 LYS H 4.000 . 5.000 3.981 3.468 4.896 . 0 0 "[ . 1 . 2]" 2
203 1 19 ASN QB 1 22 TYR H 2.500 . 3.700 2.059 1.844 2.476 . 0 0 "[ . 1 . 2]" 2
204 1 19 ASN QB 1 22 TYR QB 4.000 . 7.000 1.912 1.729 2.240 0.071 7 0 "[ . 1 . 2]" 2
205 1 19 ASN QB 1 22 TYR HA 3.000 . 4.500 3.907 3.539 4.099 . 0 0 "[ . 1 . 2]" 2
206 1 20 ASN H 1 21 LYS H 3.000 . 3.500 2.601 2.319 2.941 . 0 0 "[ . 1 . 2]" 2
207 1 20 ASN HA 1 21 LYS H 4.000 . 5.000 3.388 2.997 3.594 . 0 0 "[ . 1 . 2]" 2
208 1 20 ASN QB 1 21 LYS H 4.000 . 6.000 3.213 2.243 4.015 . 0 0 "[ . 1 . 2]" 2
209 1 20 ASN H 1 22 TYR H 4.000 . 5.000 4.016 3.394 4.359 . 0 0 "[ . 1 . 2]" 2
210 1 20 ASN HA 1 36 TYR QD 4.000 . 8.400 5.473 4.951 6.669 . 0 0 "[ . 1 . 2]" 2
211 1 20 ASN QB 1 36 TYR HA 4.000 . 7.000 4.892 3.323 6.217 . 0 0 "[ . 1 . 2]" 2
212 1 20 ASN HA 1 37 CYS H 4.000 . 5.000 2.990 2.257 4.069 . 0 0 "[ . 1 . 2]" 2
213 1 21 LYS H 1 22 TYR H 2.500 . 2.700 2.152 1.830 2.694 . 0 0 "[ . 1 . 2]" 2
214 1 21 LYS HA 1 22 TYR H 4.000 . 5.000 3.496 3.342 3.567 . 0 0 "[ . 1 . 2]" 2
215 1 21 LYS QB 1 22 TYR H 3.000 . 4.500 3.012 2.503 3.687 . 0 0 "[ . 1 . 2]" 2
216 1 21 LYS H 1 23 CYS H 4.000 . 5.000 4.085 3.076 4.787 . 0 0 "[ . 1 . 2]" 2
217 1 21 LYS HA 1 24 ASN H 3.000 . 3.500 3.204 2.833 3.523 0.023 17 0 "[ . 1 . 2]" 2
218 1 21 LYS HA 1 24 ASN QB 2.500 . 3.700 2.411 1.868 2.952 . 0 0 "[ . 1 . 2]" 2
219 1 22 TYR HA 1 23 CYS H 4.000 . 5.000 3.543 3.418 3.597 . 0 0 "[ . 1 . 2]" 2
220 1 22 TYR QB 1 23 CYS H 2.500 . 3.700 2.631 2.092 3.160 . 0 0 "[ . 1 . 2]" 2
221 1 22 TYR H 1 24 ASN H 4.000 . 5.000 4.137 3.569 4.821 . 0 0 "[ . 1 . 2]" 2
222 1 22 TYR H 1 23 CYS H 2.500 . 3.700 2.814 2.574 3.117 . 0 0 "[ . 1 . 2]" 2
223 1 22 TYR HA 1 25 ASP QB 3.000 . 4.500 3.219 2.476 3.838 . 0 0 "[ . 1 . 2]" 2
224 1 23 CYS H 1 24 ASN H 2.500 . 2.700 2.480 1.957 2.724 0.024 17 0 "[ . 1 . 2]" 2
225 1 23 CYS HA 1 24 ASN H 4.000 . 5.000 3.527 3.359 3.595 . 0 0 "[ . 1 . 2]" 2
226 1 23 CYS HA 1 27 CYS H 4.000 . 5.000 3.933 3.746 4.283 . 0 0 "[ . 1 . 2]" 2
227 1 23 CYS HA 1 26 LEU QB 2.500 . 3.700 3.030 2.837 3.267 . 0 0 "[ . 1 . 2]" 2
228 1 24 ASN HA 1 27 CYS HB3 3.000 . 3.500 3.548 3.496 3.589 0.089 5 0 "[ . 1 . 2]" 2
229 1 24 ASN HA 1 27 CYS HB2 3.000 . 3.500 2.239 2.120 2.384 . 0 0 "[ . 1 . 2]" 2
230 1 24 ASN HA 1 35 GLY H 3.000 . 3.500 3.530 3.472 3.588 0.088 6 0 "[ . 1 . 2]" 2
231 1 24 ASN QB 1 35 GLY H 4.000 . 6.000 3.775 2.735 4.200 . 0 0 "[ . 1 . 2]" 2
232 1 24 ASN H 1 27 CYS HB2 4.000 . 5.000 4.476 4.400 4.635 . 0 0 "[ . 1 . 2]" 2
233 1 24 ASN HA 1 28 LYS H 4.000 . 5.000 3.785 3.464 4.103 . 0 0 "[ . 1 . 2]" 2
234 1 24 ASN HA 1 27 CYS H 3.000 . 3.500 3.451 3.185 3.527 0.027 14 0 "[ . 1 . 2]" 2
235 1 24 ASN H 1 26 LEU H 4.000 . 5.000 4.275 3.672 4.730 . 0 0 "[ . 1 . 2]" 2
236 1 24 ASN HA 1 36 TYR H 4.000 . 5.000 4.869 4.502 5.016 0.016 13 0 "[ . 1 . 2]" 2
237 1 25 ASP HA 1 28 LYS QB 3.000 . 4.500 2.983 2.599 3.249 . 0 0 "[ . 1 . 2]" 2
238 1 26 LEU HA 1 27 CYS H 4.000 . 5.000 3.567 3.548 3.583 . 0 0 "[ . 1 . 2]" 2
239 1 26 LEU H 1 27 CYS H 2.500 . 2.700 2.596 2.370 2.708 0.008 20 0 "[ . 1 . 2]" 2
240 1 26 LEU QD 1 30 LEU QD 2.500 . 8.500 3.031 1.777 4.068 0.023 3 0 "[ . 1 . 2]" 2
241 1 26 LEU HA 1 30 LEU H 4.000 . 5.000 5.026 4.929 5.095 0.095 5 0 "[ . 1 . 2]" 2
242 1 27 CYS H 1 28 LYS H 2.500 . 2.700 2.713 2.663 2.745 0.045 7 0 "[ . 1 . 2]" 2
243 1 27 CYS HA 1 28 LYS H 4.000 . 5.000 3.558 3.535 3.575 . 0 0 "[ . 1 . 2]" 2
244 1 27 CYS HB3 1 28 LYS H 4.000 . 5.000 3.294 3.059 3.472 . 0 0 "[ . 1 . 2]" 2
245 1 27 CYS HB2 1 28 LYS H 3.000 . 3.500 2.763 2.571 2.972 . 0 0 "[ . 1 . 2]" 2
246 1 27 CYS HA 1 30 LEU H 3.000 . 3.500 3.413 3.258 3.583 0.083 19 0 "[ . 1 . 2]" 2
247 1 27 CYS HA 1 32 ALA MB 3.000 . 5.500 2.970 2.743 3.244 . 0 0 "[ . 1 . 2]" 2
248 1 27 CYS HB3 1 32 ALA H 3.000 . 4.000 4.067 3.977 4.116 0.116 11 0 "[ . 1 . 2]" 2
249 1 27 CYS HB2 1 32 ALA H 4.000 . 6.000 5.378 5.271 5.458 . 0 0 "[ . 1 . 2]" 2
250 1 27 CYS HB3 1 32 ALA MB 2.500 . 3.700 1.832 1.791 1.999 0.009 17 0 "[ . 1 . 2]" 2
251 1 27 CYS HB2 1 32 ALA MB 4.000 . 6.000 3.386 3.318 3.494 . 0 0 "[ . 1 . 2]" 2
252 1 27 CYS H 1 49 LEU QD 4.000 . 8.500 6.219 5.979 6.328 . 0 0 "[ . 1 . 2]" 2
253 1 27 CYS HA 1 30 LEU QB 3.000 . 4.500 3.119 2.672 3.526 . 0 0 "[ . 1 . 2]" 2
254 1 27 CYS HA 1 30 LEU QD 2.500 . 6.100 2.364 1.816 3.318 . 0 0 "[ . 1 . 2]" 2
255 1 27 CYS H 1 32 ALA MB 4.000 . 7.000 4.587 4.463 4.736 . 0 0 "[ . 1 . 2]" 2
256 1 27 CYS QB 1 35 GLY H 4.000 . 6.000 4.097 3.696 4.269 . 0 0 "[ . 1 . 2]" 2
257 1 28 LYS H 1 29 GLY H 2.500 . 2.700 2.632 2.556 2.679 . 0 0 "[ . 1 . 2]" 2
258 1 28 LYS H 1 30 LEU H 4.000 . 5.000 4.164 3.988 4.311 . 0 0 "[ . 1 . 2]" 2
259 1 28 LYS HA 1 29 GLY H 3.000 . 3.500 3.519 3.496 3.531 0.031 12 0 "[ . 1 . 2]" 2
260 1 28 LYS HA 1 32 ALA H 2.500 . 2.700 2.745 2.719 2.774 0.074 12 0 "[ . 1 . 2]" 2
261 1 28 LYS HA 1 33 ASP H 4.000 . 5.000 4.308 3.261 4.821 . 0 0 "[ . 1 . 2]" 2
262 1 28 LYS QB 1 29 GLY H 3.000 . 4.500 2.768 2.615 2.945 . 0 0 "[ . 1 . 2]" 2
263 1 28 LYS QG 1 29 GLY H 4.000 . 7.000 4.222 3.653 4.531 . 0 0 "[ . 1 . 2]" 2
264 1 28 LYS QD 1 29 GLY H 4.000 . 6.000 5.023 4.816 5.204 . 0 0 "[ . 1 . 2]" 2
265 1 28 LYS H 1 32 ALA MB 4.000 . 7.000 3.901 3.713 4.038 . 0 0 "[ . 1 . 2]" 2
266 1 28 LYS QD 1 32 ALA H 4.000 . 7.000 5.198 4.229 6.234 . 0 0 "[ . 1 . 2]" 2
267 1 28 LYS QD 1 34 SER HA 4.000 . 6.000 4.892 4.478 5.376 . 0 0 "[ . 1 . 2]" 2
268 1 29 GLY H 1 30 LEU H 3.000 . 3.500 2.607 2.500 2.806 . 0 0 "[ . 1 . 2]" 2
269 1 29 GLY H 1 30 LEU MD1 4.000 . 8.400 4.388 3.353 5.323 . 0 0 "[ . 1 . 2]" 2
270 1 29 GLY QA 1 30 LEU H 4.000 . 6.000 2.763 2.728 2.810 . 0 0 "[ . 1 . 2]" 2
271 1 29 GLY H 1 31 LYS H 3.000 . 4.000 4.003 3.923 4.049 0.049 6 0 "[ . 1 . 2]" 2
272 1 29 GLY QA 1 31 LYS H 4.000 . 6.000 3.490 3.309 4.076 . 0 0 "[ . 1 . 2]" 2
273 1 30 LEU H 1 31 LYS H 2.500 . 2.700 2.616 2.321 2.715 0.015 20 0 "[ . 1 . 2]" 2
274 1 30 LEU H 1 31 LYS HA 4.000 . 5.000 4.877 4.775 4.963 . 0 0 "[ . 1 . 2]" 2
275 1 30 LEU HA 1 31 LYS H 3.000 . 3.500 3.180 3.072 3.517 0.017 12 0 "[ . 1 . 2]" 2
276 1 30 LEU HA 1 31 LYS HA 4.000 . 5.000 5.020 4.996 5.055 0.055 7 0 "[ . 1 . 2]" 2
277 1 30 LEU H 1 32 ALA H 4.000 . 5.000 3.270 3.141 3.551 . 0 0 "[ . 1 . 2]" 2
278 1 30 LEU HA 1 32 ALA H 4.000 . 5.000 4.545 4.349 4.945 . 0 0 "[ . 1 . 2]" 2
279 1 30 LEU QD 1 31 LYS H 4.000 . 8.400 4.302 3.331 4.501 . 0 0 "[ . 1 . 2]" 2
280 1 30 LEU QB 1 50 PRO QD 3.000 . 5.500 2.312 1.814 2.724 . 0 0 "[ . 1 . 2]" 2
281 1 31 LYS H 1 32 ALA H 2.500 . 2.700 2.468 1.789 2.717 0.017 5 0 "[ . 1 . 2]" 2
282 1 31 LYS H 1 49 LEU HA 4.000 . 5.000 4.948 4.447 5.112 0.112 4 0 "[ . 1 . 2]" 2
283 1 31 LYS HA 1 32 ALA H 3.000 . 3.500 3.218 3.103 3.354 . 0 0 "[ . 1 . 2]" 2
284 1 31 LYS HB3 1 32 ALA H 4.000 . 5.000 3.765 3.484 3.913 . 0 0 "[ . 1 . 2]" 2
285 1 31 LYS QG 1 48 GLY QA 3.000 . 5.500 4.236 3.813 4.388 . 0 0 "[ . 1 . 2]" 2
286 1 32 ALA H 1 46 CYS HB2 4.000 . 6.000 5.998 5.645 6.062 0.062 10 0 "[ . 1 . 2]" 2
287 1 32 ALA MB 1 46 CYS H 4.000 . 8.000 4.761 4.564 4.938 . 0 0 "[ . 1 . 2]" 2
288 1 32 ALA MB 1 46 CYS HA 4.000 . 7.000 3.659 3.483 3.898 . 0 0 "[ . 1 . 2]" 2
289 1 32 ALA MB 1 46 CYS HB2 3.000 . 4.500 2.813 2.413 3.045 . 0 0 "[ . 1 . 2]" 2
290 1 32 ALA MB 1 46 CYS HB3 2.500 . 3.700 1.817 1.778 1.913 0.022 4 0 "[ . 1 . 2]" 2
291 1 32 ALA MB 1 47 GLN H 3.000 . 5.500 3.340 3.054 3.705 . 0 0 "[ . 1 . 2]" 2
292 1 32 ALA HA 1 48 GLY QA 4.000 . 6.000 3.004 2.574 3.356 . 0 0 "[ . 1 . 2]" 2
293 1 32 ALA H 1 49 LEU QB 4.000 . 7.000 3.566 3.318 4.265 . 0 0 "[ . 1 . 2]" 2
294 1 32 ALA H 1 49 LEU QD 3.000 . 6.900 3.838 3.609 4.040 . 0 0 "[ . 1 . 2]" 2
295 1 32 ALA HA 1 49 LEU HA 3.000 . 3.500 3.519 3.328 3.586 0.086 10 0 "[ . 1 . 2]" 2
296 1 32 ALA MB 1 49 LEU H 3.000 . 5.500 3.800 3.580 3.984 . 0 0 "[ . 1 . 2]" 2
297 1 32 ALA HA 1 47 GLN H 4.000 . 6.000 4.444 4.039 4.915 . 0 0 "[ . 1 . 2]" 2
298 1 32 ALA MB 1 49 LEU HA 2.500 . 4.700 3.345 2.877 3.740 . 0 0 "[ . 1 . 2]" 2
299 1 32 ALA MB 1 48 GLY QA 3.000 . 6.500 4.111 3.883 4.333 . 0 0 "[ . 1 . 2]" 2
300 1 32 ALA MB 1 50 PRO QD 4.000 . 8.000 3.980 3.660 4.263 . 0 0 "[ . 1 . 2]" 2
301 1 32 ALA MB 1 53 ALA MB 3.000 . 6.500 4.297 4.171 4.392 . 0 0 "[ . 1 . 2]" 2
302 1 32 ALA HA 1 34 SER H 4.000 . 5.000 4.491 3.262 5.015 0.015 17 0 "[ . 1 . 2]" 2
303 1 32 ALA HA 1 49 LEU H 4.000 . 5.000 3.899 3.299 4.391 . 0 0 "[ . 1 . 2]" 2
304 1 33 ASP HA 1 34 SER H 3.000 . 3.500 3.548 3.499 3.575 0.075 19 0 "[ . 1 . 2]" 2
305 1 33 ASP HA 1 35 GLY H 4.000 . 5.000 4.731 4.047 4.948 . 0 0 "[ . 1 . 2]" 2
306 1 34 SER HA 1 35 GLY H 2.500 . 2.700 2.373 2.303 2.633 . 0 0 "[ . 1 . 2]" 2
307 1 34 SER QB 1 35 GLY H 3.000 . 4.500 3.929 3.795 4.090 . 0 0 "[ . 1 . 2]" 2
308 1 34 SER H 1 47 GLN H 4.000 . 5.000 3.966 3.675 4.191 . 0 0 "[ . 1 . 2]" 2
309 1 34 SER H 1 47 GLN QB 4.000 . 6.000 4.429 3.537 5.374 . 0 0 "[ . 1 . 2]" 2
310 1 34 SER HA 1 47 GLN H 4.000 . 5.000 4.941 4.729 5.035 0.035 3 0 "[ . 1 . 2]" 2
311 1 35 GLY QA 1 36 TYR H 2.500 . 3.200 2.208 2.150 2.326 . 0 0 "[ . 1 . 2]" 2
312 1 35 GLY H 1 46 CYS HA 4.000 . 5.000 4.428 4.297 4.584 . 0 0 "[ . 1 . 2]" 2
313 1 35 GLY QA 1 47 GLN H 4.000 . 6.000 3.529 3.367 3.756 . 0 0 "[ . 1 . 2]" 2
314 1 36 TYR H 1 37 CYS H 4.000 . 6.000 4.444 4.138 4.554 . 0 0 "[ . 1 . 2]" 2
315 1 36 TYR HA 1 37 CYS H 2.500 . 2.700 2.411 2.223 2.711 0.011 10 0 "[ . 1 . 2]" 2
316 1 36 TYR QB 1 37 CYS H 3.000 . 4.000 2.736 2.022 3.348 . 0 0 "[ . 1 . 2]" 2
317 1 36 TYR QD 1 37 CYS H 4.000 . 7.000 3.294 2.452 4.173 . 0 0 "[ . 1 . 2]" 2
318 1 36 TYR QD 1 38 TRP HA 3.000 . 5.900 3.669 3.464 4.018 . 0 0 "[ . 1 . 2]" 2
319 1 36 TYR QD 1 38 TRP HE3 3.000 . 5.500 3.142 1.993 4.410 . 0 0 "[ . 1 . 2]" 2
320 1 36 TYR QD 1 38 TRP QB 4.000 . 9.000 4.336 3.524 5.421 . 0 0 "[ . 1 . 2]" 2
321 1 36 TYR QE 1 38 TRP HA 3.000 . 5.900 3.764 3.016 4.140 . 0 0 "[ . 1 . 2]" 2
322 1 36 TYR QE 1 38 TRP HE3 2.500 . 4.700 2.112 1.843 3.162 . 0 0 "[ . 1 . 2]" 2
323 1 36 TYR QE 1 38 TRP QB 4.000 . 8.400 3.532 2.209 4.804 . 0 0 "[ . 1 . 2]" 2
324 1 36 TYR H 1 45 TYR H 4.000 . 5.000 3.449 2.858 3.881 . 0 0 "[ . 1 . 2]" 2
325 1 36 TYR H 1 45 TYR QD 4.000 . 8.400 4.909 3.932 5.366 . 0 0 "[ . 1 . 2]" 2
326 1 36 TYR QD 1 45 TYR QB 4.000 . 9.400 3.552 3.169 4.250 . 0 0 "[ . 1 . 2]" 2
327 1 36 TYR QD 1 45 TYR QD 3.000 . 7.500 4.568 3.623 5.658 . 0 0 "[ . 1 . 2]" 2
328 1 36 TYR QE 1 45 TYR QB 4.000 . 8.400 2.816 2.244 3.922 . 0 0 "[ . 1 . 2]" 2
329 1 36 TYR QE 1 45 TYR QD 3.000 . 7.500 2.961 1.890 4.767 . 0 0 "[ . 1 . 2]" 2
330 1 36 TYR QE 1 45 TYR QE 4.000 . 9.000 4.353 3.148 5.905 . 0 0 "[ . 1 . 2]" 2
331 1 36 TYR H 1 46 CYS HA 3.000 . 3.500 3.385 3.097 3.583 0.083 4 0 "[ . 1 . 2]" 2
332 1 36 TYR QE 1 47 GLN QG 4.000 . 8.400 4.632 3.411 6.249 . 0 0 "[ . 1 . 2]" 2
333 1 36 TYR QD 1 46 CYS HA 4.000 . 7.400 4.411 3.685 5.027 . 0 0 "[ . 1 . 2]" 2
334 1 37 CYS HA 1 38 TRP H 2.500 . 2.700 2.258 2.194 2.362 . 0 0 "[ . 1 . 2]" 2
335 1 37 CYS HA 1 45 TYR H 3.000 . 3.500 2.853 2.441 3.187 . 0 0 "[ . 1 . 2]" 2
336 1 37 CYS HA 1 44 CYS HA 3.000 . 3.500 1.850 1.793 1.988 0.007 3 0 "[ . 1 . 2]" 2
337 1 37 CYS QB 1 44 CYS HA 3.000 . 4.500 3.616 3.354 3.891 . 0 0 "[ . 1 . 2]" 2
338 1 38 TRP HA 1 39 GLY H 2.500 . 2.700 2.320 2.215 2.696 . 0 0 "[ . 1 . 2]" 2
339 1 38 TRP HA 1 39 GLY QA 4.000 . 6.000 4.006 3.970 4.102 . 0 0 "[ . 1 . 2]" 2
340 1 38 TRP HD1 1 40 TRP HE1 4.000 . 6.000 5.578 5.233 6.018 0.018 3 0 "[ . 1 . 2]" 2
341 1 38 TRP HD1 1 40 TRP HE3 4.000 . 6.000 5.950 5.743 6.058 0.058 18 0 "[ . 1 . 2]" 2
342 1 38 TRP HD1 1 40 TRP HA 4.000 . 5.000 4.562 4.107 4.798 . 0 0 "[ . 1 . 2]" 2
343 1 38 TRP HD1 1 40 TRP QB 4.000 . 6.000 1.856 1.814 1.987 . 0 0 "[ . 1 . 2]" 2
344 1 38 TRP HD1 1 41 THR H 4.000 . 5.000 2.153 1.871 2.550 . 0 0 "[ . 1 . 2]" 2
345 1 38 TRP HE1 1 40 TRP HB3 4.000 . 6.000 2.719 1.869 3.634 . 0 0 "[ . 1 . 2]" 2
346 1 38 TRP HE1 1 41 THR MG 4.000 . 7.000 4.835 4.032 5.658 . 0 0 "[ . 1 . 2]" 2
347 1 38 TRP HE3 1 42 LEU QD 3.000 . 6.500 4.312 3.520 4.682 . 0 0 "[ . 1 . 2]" 2
348 1 38 TRP HH2 1 42 LEU QD 4.000 . 7.900 4.993 4.152 5.592 . 0 0 "[ . 1 . 2]" 2
349 1 38 TRP H 1 43 SER H 4.000 . 5.000 4.606 3.534 5.016 0.016 2 0 "[ . 1 . 2]" 2
350 1 38 TRP H 1 44 CYS HA 3.000 . 3.500 2.946 2.523 3.506 0.006 12 0 "[ . 1 . 2]" 2
351 1 38 TRP QB 1 44 CYS HA 4.000 . 6.000 4.362 3.772 4.976 . 0 0 "[ . 1 . 2]" 2
352 1 38 TRP QB 1 45 TYR HA 4.000 . 7.000 6.001 5.537 6.268 . 0 0 "[ . 1 . 2]" 2
353 1 38 TRP QB 1 45 TYR H 4.000 . 6.000 4.886 4.044 5.291 . 0 0 "[ . 1 . 2]" 2
354 1 38 TRP HE3 1 39 GLY H 4.000 . 5.000 4.434 3.846 4.962 . 0 0 "[ . 1 . 2]" 2
355 1 38 TRP H 1 45 TYR H 4.000 . 5.000 4.095 3.521 4.467 . 0 0 "[ . 1 . 2]" 2
356 1 38 TRP HA 1 40 TRP H 4.000 . 6.000 4.291 3.489 4.823 . 0 0 "[ . 1 . 2]" 2
357 1 38 TRP QB 1 40 TRP HD1 4.000 . 6.000 5.200 5.008 5.332 . 0 0 "[ . 1 . 2]" 2
358 1 39 GLY QA 1 42 LEU H 4.000 . 6.000 5.288 5.106 5.441 . 0 0 "[ . 1 . 2]" 2
359 1 39 GLY QA 1 40 TRP H 4.000 . 6.000 2.667 2.339 2.939 . 0 0 "[ . 1 . 2]" 2
360 1 39 GLY H 1 40 TRP H 4.000 . 5.000 3.080 1.898 4.033 . 0 0 "[ . 1 . 2]" 2
361 1 40 TRP H 1 41 THR H 4.000 . 5.000 2.855 2.498 3.307 . 0 0 "[ . 1 . 2]" 2
362 1 40 TRP H 1 42 LEU H 4.000 . 6.000 3.575 3.173 4.156 . 0 0 "[ . 1 . 2]" 2
363 1 40 TRP HA 1 41 THR H 3.000 . 3.500 3.540 3.497 3.565 0.065 11 0 "[ . 1 . 2]" 2
364 1 40 TRP HD1 1 41 THR H 3.000 . 3.500 2.913 2.048 3.509 0.009 11 0 "[ . 1 . 2]" 2
365 1 40 TRP HE1 1 41 THR H 4.000 . 6.000 4.786 4.071 5.421 . 0 0 "[ . 1 . 2]" 2
366 1 40 TRP HE1 1 41 THR MG 3.000 . 5.500 2.679 2.098 3.667 . 0 0 "[ . 1 . 2]" 2
367 1 40 TRP HB3 1 41 THR H 4.000 . 5.000 1.986 1.834 2.158 . 0 0 "[ . 1 . 2]" 2
368 1 40 TRP HB2 1 41 THR H 4.000 . 6.000 3.487 3.378 3.602 . 0 0 "[ . 1 . 2]" 2
369 1 40 TRP HB3 1 41 THR MG 4.000 . 6.000 3.488 2.988 4.112 . 0 0 "[ . 1 . 2]" 2
370 1 40 TRP HB2 1 41 THR MG 3.000 . 5.900 4.305 3.946 4.707 . 0 0 "[ . 1 . 2]" 2
371 1 40 TRP HD1 1 42 LEU QD 3.000 . 6.900 2.958 1.841 4.106 . 0 0 "[ . 1 . 2]" 2
372 1 40 TRP HD1 1 42 LEU HG 4.000 . 5.000 4.203 3.282 4.809 . 0 0 "[ . 1 . 2]" 2
373 1 40 TRP HA 1 42 LEU H 4.000 . 6.000 5.279 4.964 5.522 . 0 0 "[ . 1 . 2]" 2
374 1 40 TRP HD1 1 41 THR MG 2.500 . 4.700 2.650 2.080 3.773 . 0 0 "[ . 1 . 2]" 2
375 1 41 THR H 1 42 LEU H 2.500 . 2.700 2.134 1.893 2.720 0.020 4 0 "[ . 1 . 2]" 2
376 1 41 THR H 1 42 LEU HA 4.000 . 5.000 4.376 4.296 4.577 . 0 0 "[ . 1 . 2]" 2
377 1 41 THR HA 1 42 LEU H 4.000 . 5.000 2.914 2.717 3.092 . 0 0 "[ . 1 . 2]" 2
378 1 41 THR MG 1 42 LEU H 4.000 . 7.000 3.683 3.364 4.355 . 0 0 "[ . 1 . 2]" 2
379 1 41 THR HB 1 42 LEU H 4.000 . 5.000 4.562 4.445 4.661 . 0 0 "[ . 1 . 2]" 2
380 1 42 LEU H 1 43 SER H 3.000 . 3.500 2.468 1.933 2.923 . 0 0 "[ . 1 . 2]" 2
381 1 42 LEU HA 1 43 SER H 3.000 . 3.500 3.193 2.938 3.538 0.038 20 0 "[ . 1 . 2]" 2
382 1 42 LEU QD 1 43 SER H 4.000 . 8.400 4.244 3.335 4.573 . 0 0 "[ . 1 . 2]" 2
383 1 43 SER H 1 44 CYS H 4.000 . 6.000 4.646 4.391 4.695 . 0 0 "[ . 1 . 2]" 2
384 1 43 SER HA 1 44 CYS H 2.500 . 2.700 2.680 2.559 2.743 0.043 12 0 "[ . 1 . 2]" 2
385 1 43 SER QB 1 44 CYS H 3.000 . 4.500 2.523 2.003 3.269 . 0 0 "[ . 1 . 2]" 2
386 1 44 CYS H 1 45 TYR H 4.000 . 6.000 4.606 4.190 4.706 . 0 0 "[ . 1 . 2]" 2
387 1 44 CYS HA 1 45 TYR H 2.500 . 2.700 2.385 2.230 2.544 . 0 0 "[ . 1 . 2]" 2
388 1 44 CYS HB3 1 45 TYR H 4.000 . 6.000 3.803 3.372 4.606 . 0 0 "[ . 1 . 2]" 2
389 1 44 CYS HB2 1 45 TYR H 4.000 . 5.000 4.168 3.947 4.522 . 0 0 "[ . 1 . 2]" 2
390 1 45 TYR HA 1 46 CYS H 2.500 . 2.700 2.229 2.197 2.282 . 0 0 "[ . 1 . 2]" 2
391 1 45 TYR QD 1 46 CYS H 3.000 . 5.900 2.663 1.958 4.120 . 0 0 "[ . 1 . 2]" 2
392 1 45 TYR QE 1 46 CYS H 4.000 . 8.000 4.339 3.827 5.300 . 0 0 "[ . 1 . 2]" 2
393 1 45 TYR QD 1 47 GLN QG 3.000 . 7.000 3.665 2.587 4.790 . 0 0 "[ . 1 . 2]" 2
394 1 45 TYR QE 1 47 GLN QB 3.000 . 6.500 4.358 2.309 5.288 . 0 0 "[ . 1 . 2]" 2
395 1 45 TYR QE 1 47 GLN QG 3.000 . 6.500 2.902 1.847 4.509 . 0 0 "[ . 1 . 2]" 2
396 1 46 CYS HA 1 47 GLN H 2.500 . 2.700 2.265 2.210 2.340 . 0 0 "[ . 1 . 2]" 2
397 1 46 CYS HB2 1 47 GLN H 4.000 . 5.000 4.077 3.856 4.219 . 0 0 "[ . 1 . 2]" 2
398 1 46 CYS HB3 1 47 GLN H 3.000 . 3.500 3.180 2.931 3.461 . 0 0 "[ . 1 . 2]" 2
399 1 46 CYS H 1 49 LEU QD 3.000 . 6.900 3.587 3.256 3.825 . 0 0 "[ . 1 . 2]" 2
400 1 46 CYS HA 1 49 LEU QD 4.000 . 9.400 3.787 3.571 4.003 . 0 0 "[ . 1 . 2]" 2
401 1 46 CYS HB2 1 49 LEU H 4.000 . 6.000 5.906 5.657 6.020 0.020 12 0 "[ . 1 . 2]" 2
402 1 46 CYS HB2 1 49 LEU QD 2.500 . 4.700 2.339 2.079 2.600 . 0 0 "[ . 1 . 2]" 2
403 1 46 CYS HB3 1 49 LEU QD 3.000 . 5.500 2.609 2.359 2.870 . 0 0 "[ . 1 . 2]" 2
404 1 47 GLN HA 1 48 GLY H 2.500 . 2.700 2.265 2.221 2.344 . 0 0 "[ . 1 . 2]" 2
405 1 47 GLN HA 1 48 GLY QA 3.000 . 4.500 4.036 3.980 4.077 . 0 0 "[ . 1 . 2]" 2
406 1 47 GLN QB 1 48 GLY H 3.000 . 4.500 3.146 2.791 3.680 . 0 0 "[ . 1 . 2]" 2
407 1 47 GLN QG 1 48 GLY H 4.000 . 6.000 4.145 2.772 4.496 . 0 0 "[ . 1 . 2]" 2
408 1 48 GLY QA 1 49 LEU H 3.000 . 4.500 2.804 2.644 2.904 . 0 0 "[ . 1 . 2]" 2
409 1 48 GLY QA 1 49 LEU HA 3.000 . 4.500 4.061 4.045 4.074 . 0 0 "[ . 1 . 2]" 2
410 1 48 GLY QA 1 49 LEU QD 3.000 . 7.900 3.182 3.029 3.358 . 0 0 "[ . 1 . 2]" 2
411 1 48 GLY H 1 49 LEU HG 4.000 . 5.000 3.262 2.852 3.475 . 0 0 "[ . 1 . 2]" 2
412 1 49 LEU HA 1 50 PRO QD 2.500 . 3.700 2.270 2.206 2.337 . 0 0 "[ . 1 . 2]" 2
413 1 49 LEU QD 1 50 PRO QD 3.000 . 7.900 3.294 3.077 3.387 . 0 0 "[ . 1 . 2]" 2
414 1 49 LEU H 1 53 ALA MB 3.000 . 5.500 4.417 4.306 4.548 . 0 0 "[ . 1 . 2]" 2
415 1 49 LEU QD 1 53 ALA HA 4.000 . 8.400 3.688 3.420 3.951 . 0 0 "[ . 1 . 2]" 2
416 1 49 LEU QD 1 53 ALA MB 3.000 . 7.900 1.658 1.565 1.986 0.235 2 0 "[ . 1 . 2]" 2
417 1 49 LEU QD 1 55 ILE QG 2.500 . 7.100 3.860 3.190 4.200 . 0 0 "[ . 1 . 2]" 2
418 1 49 LEU H 1 50 PRO QD 4.000 . 7.000 4.377 4.274 4.410 . 0 0 "[ . 1 . 2]" 2
419 1 49 LEU HA 1 50 PRO QB 3.000 . 5.500 4.668 4.623 4.706 . 0 0 "[ . 1 . 2]" 2
420 1 49 LEU QB 1 50 PRO QD 4.000 . 7.000 1.789 1.748 1.848 0.052 4 0 "[ . 1 . 2]" 2
421 1 50 PRO HA 1 51 ASP H 2.500 . 2.700 2.373 2.342 2.412 . 0 0 "[ . 1 . 2]" 2
422 1 50 PRO HA 1 51 ASP HB3 4.000 . 5.000 4.809 4.531 5.024 0.024 5 0 "[ . 1 . 2]" 2
423 1 50 PRO HA 1 51 ASP HB2 4.000 . 6.000 4.583 4.368 4.816 . 0 0 "[ . 1 . 2]" 2
424 1 50 PRO QB 1 51 ASP H 3.000 . 4.500 2.814 2.728 2.894 . 0 0 "[ . 1 . 2]" 2
425 1 50 PRO QG 1 51 ASP H 4.000 . 6.000 4.362 4.289 4.411 . 0 0 "[ . 1 . 2]" 2
426 1 50 PRO HA 1 52 ASN H 3.000 . 4.000 3.975 3.889 4.054 0.054 20 0 "[ . 1 . 2]" 2
427 1 50 PRO QB 1 52 ASN H 3.000 . 4.500 2.275 2.189 2.355 . 0 0 "[ . 1 . 2]" 2
428 1 50 PRO HA 1 53 ALA H 4.000 . 5.000 4.838 4.707 4.902 . 0 0 "[ . 1 . 2]" 2
429 1 50 PRO HA 1 53 ALA MB 4.000 . 8.000 4.576 4.273 4.775 . 0 0 "[ . 1 . 2]" 2
430 1 50 PRO QB 1 53 ALA H 3.000 . 4.500 3.704 3.518 3.765 . 0 0 "[ . 1 . 2]" 2
431 1 50 PRO QG 1 53 ALA H 4.000 . 6.000 3.160 2.965 3.251 . 0 0 "[ . 1 . 2]" 2
432 1 50 PRO QD 1 53 ALA HA 4.000 . 7.000 3.580 2.674 4.120 . 0 0 "[ . 1 . 2]" 2
433 1 50 PRO QD 1 53 ALA MB 3.000 . 6.500 2.553 1.812 2.787 . 0 0 "[ . 1 . 2]" 2
434 1 51 ASP H 1 52 ASN H 2.500 . 2.700 2.679 2.631 2.725 0.025 14 0 "[ . 1 . 2]" 2
435 1 51 ASP HA 1 52 ASN H 3.000 . 3.500 3.474 3.436 3.509 0.009 20 0 "[ . 1 . 2]" 2
436 1 51 ASP HB3 1 52 ASN H 3.000 . 3.500 2.982 2.846 3.169 . 0 0 "[ . 1 . 2]" 2
437 1 51 ASP HB2 1 52 ASN H 4.000 . 5.000 4.065 3.857 4.289 . 0 0 "[ . 1 . 2]" 2
438 1 51 ASP H 1 53 ALA H 4.000 . 5.000 4.267 4.149 4.356 . 0 0 "[ . 1 . 2]" 2
439 1 51 ASP HA 1 53 ALA H 3.000 . 3.500 3.506 3.453 3.605 0.105 9 0 "[ . 1 . 2]" 2
440 1 52 ASN H 1 53 ALA H 2.500 . 2.700 2.630 2.561 2.699 . 0 0 "[ . 1 . 2]" 2
441 1 52 ASN H 1 53 ALA MB 3.000 . 5.500 4.075 3.980 4.183 . 0 0 "[ . 1 . 2]" 2
442 1 52 ASN HA 1 53 ALA H 3.000 . 3.500 3.184 3.066 3.315 . 0 0 "[ . 1 . 2]" 2
443 1 52 ASN HA 1 53 ALA MB 4.000 . 7.000 4.632 4.550 4.741 . 0 0 "[ . 1 . 2]" 2
444 1 52 ASN HB3 1 53 ALA H 4.000 . 6.000 3.768 3.539 3.962 . 0 0 "[ . 1 . 2]" 2
445 1 52 ASN HB2 1 53 ALA H 4.000 . 6.000 4.274 4.040 4.477 . 0 0 "[ . 1 . 2]" 2
446 1 53 ALA H 1 54 ARG H 4.000 . 5.000 4.576 4.340 4.699 . 0 0 "[ . 1 . 2]" 2
447 1 53 ALA HA 1 54 ARG H 2.500 . 2.700 2.249 2.207 2.340 . 0 0 "[ . 1 . 2]" 2
448 1 53 ALA HA 1 54 ARG HA 4.000 . 6.000 4.491 4.444 4.580 . 0 0 "[ . 1 . 2]" 2
449 1 53 ALA MB 1 54 ARG H 2.500 . 4.700 3.221 2.809 3.573 . 0 0 "[ . 1 . 2]" 2
450 1 54 ARG H 1 55 ILE MG 4.000 . 8.000 4.561 2.922 6.538 . 0 0 "[ . 1 . 2]" 2
451 1 54 ARG H 1 55 ILE MD 4.000 . 8.000 4.826 3.379 6.175 . 0 0 "[ . 1 . 2]" 2
452 1 54 ARG HA 1 55 ILE H 2.500 . 2.700 2.271 2.189 2.391 . 0 0 "[ . 1 . 2]" 2
453 1 54 ARG HA 1 55 ILE MD 3.000 . 5.500 3.861 2.777 4.607 . 0 0 "[ . 1 . 2]" 2
454 1 55 ILE H 1 56 LYS H 4.000 . 6.000 4.394 4.238 4.485 . 0 0 "[ . 1 . 2]" 2
455 1 55 ILE HA 1 56 LYS H 2.500 . 2.700 2.590 2.187 2.791 0.091 10 0 "[ . 1 . 2]" 2
456 1 55 ILE HA 1 56 LYS QG 4.000 . 6.000 4.518 3.952 5.290 . 0 0 "[ . 1 . 2]" 2
457 1 55 ILE HB 1 56 LYS H 3.000 . 3.500 2.563 1.843 3.492 . 0 0 "[ . 1 . 2]" 2
458 1 55 ILE MG 1 56 LYS H 3.000 . 5.500 3.065 1.754 4.048 0.046 11 0 "[ . 1 . 2]" 2
459 1 55 ILE MD 1 56 LYS H 3.000 . 5.500 3.455 2.299 4.559 . 0 0 "[ . 1 . 2]" 2
460 1 55 ILE H 1 57 ARG QG 4.000 . 6.000 4.322 2.554 5.448 . 0 0 "[ . 1 . 2]" 2
461 1 56 LYS HA 1 57 ARG H 2.500 . 2.700 2.427 2.227 2.733 0.033 9 0 "[ . 1 . 2]" 2
462 1 56 LYS QB 1 57 ARG H 4.000 . 5.000 3.884 3.704 4.024 . 0 0 "[ . 1 . 2]" 2
463 1 56 LYS QG 1 57 ARG H 4.000 . 6.000 4.202 3.770 4.716 . 0 0 "[ . 1 . 2]" 2
464 1 56 LYS HA 1 58 SER H 3.000 . 3.500 3.350 3.119 3.546 0.046 19 0 "[ . 1 . 2]" 2
465 1 56 LYS HA 1 57 ARG QB 4.000 . 6.000 4.408 4.219 4.757 . 0 0 "[ . 1 . 2]" 2
466 1 56 LYS H 1 57 ARG H 4.000 . 6.000 3.961 3.100 4.409 . 0 0 "[ . 1 . 2]" 2
467 1 57 ARG H 1 58 SER H 2.500 . 2.700 2.154 1.863 2.702 0.002 11 0 "[ . 1 . 2]" 2
468 1 57 ARG HA 1 58 SER H 3.000 . 3.500 3.305 3.054 3.508 0.008 18 0 "[ . 1 . 2]" 2
469 1 57 ARG HA 1 58 SER QB 4.000 . 6.000 4.493 3.630 5.414 . 0 0 "[ . 1 . 2]" 2
470 1 57 ARG QD 1 58 SER H 4.000 . 6.000 4.984 4.257 5.352 . 0 0 "[ . 1 . 2]" 2
471 1 57 ARG QG 1 58 SER H 4.000 . 5.000 4.188 2.893 4.589 . 0 0 "[ . 1 . 2]" 2
472 1 57 ARG QB 1 58 SER H 3.000 . 4.500 3.301 2.762 3.979 . 0 0 "[ . 1 . 2]" 2
473 1 58 SER HA 1 59 GLY H 2.500 . 2.700 2.454 2.184 2.717 0.017 11 0 "[ . 1 . 2]" 2
474 1 58 SER QB 1 59 GLY H 2.500 . 3.700 2.892 2.238 3.383 . 0 0 "[ . 1 . 2]" 2
475 1 59 GLY QA 1 60 ARG H 2.500 . 3.200 2.526 2.160 2.934 . 0 0 "[ . 1 . 2]" 2
476 1 60 ARG HA 1 61 CYS H 2.500 . 2.700 2.508 2.234 2.818 0.118 18 0 "[ . 1 . 2]" 2
477 1 60 ARG QB 1 61 CYS H 3.000 . 4.500 3.309 2.170 4.061 . 0 0 "[ . 1 . 2]" 2
478 1 60 ARG QG 1 61 CYS H 4.000 . 6.000 4.074 2.867 4.859 . 0 0 "[ . 1 . 2]" 2
479 1 60 ARG QD 1 61 CYS H 4.000 . 6.000 4.484 3.308 5.275 . 0 0 "[ . 1 . 2]" 2
480 1 60 ARG H 1 62 ARG H 4.000 . 6.000 5.513 4.425 6.002 0.002 9 0 "[ . 1 . 2]" 2
481 1 61 CYS H 1 62 ARG H 4.000 . 5.000 4.146 3.564 4.582 . 0 0 "[ . 1 . 2]" 2
482 1 61 CYS HA 1 62 ARG H 2.500 . 2.700 2.259 2.209 2.349 . 0 0 "[ . 1 . 2]" 2
483 1 61 CYS QB 1 62 ARG H 4.000 . 6.000 3.856 3.381 4.054 . 0 0 "[ . 1 . 2]" 2
484 1 61 CYS HA 1 62 ARG HB2 4.000 . 6.000 4.196 4.095 4.309 . 0 0 "[ . 1 . 2]" 2
485 1 61 CYS HA 1 62 ARG HB3 4.000 . 6.000 5.394 5.283 5.559 . 0 0 "[ . 1 . 2]" 2
486 1 61 CYS HA 1 62 ARG QG 4.000 . 7.000 5.323 5.008 5.672 . 0 0 "[ . 1 . 2]" 2
487 1 62 ARG H 1 63 ALA H 3.000 . 3.500 3.280 2.980 3.513 0.013 20 0 "[ . 1 . 2]" 2
488 1 62 ARG HA 1 63 ALA H 3.000 . 3.500 2.846 2.723 3.073 . 0 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 12
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_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 12 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 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 12 CYS SG 1 61 CYS SG 2.020 . 2.040 2.020 2.019 2.022 . 0 0 "[ . 1 . 2]" 3
2 1 12 CYS CB 1 61 CYS SG 2.990 2.490 3.490 3.024 3.020 3.031 . 0 0 "[ . 1 . 2]" 3
3 1 12 CYS SG 1 61 CYS CB 2.990 2.490 3.490 3.025 3.020 3.036 . 0 0 "[ . 1 . 2]" 3
4 1 16 CYS SG 1 37 CYS SG 2.020 . 2.040 2.020 2.018 2.021 . 0 0 "[ . 1 . 2]" 3
5 1 16 CYS CB 1 37 CYS SG 2.990 2.490 3.490 3.027 3.019 3.035 . 0 0 "[ . 1 . 2]" 3
6 1 16 CYS SG 1 37 CYS CB 2.990 2.490 3.490 3.023 3.013 3.029 . 0 0 "[ . 1 . 2]" 3
7 1 23 CYS SG 1 44 CYS SG 2.020 . 2.040 2.020 2.019 2.023 . 0 0 "[ . 1 . 2]" 3
8 1 23 CYS CB 1 44 CYS SG 2.990 2.490 3.490 3.027 3.023 3.038 . 0 0 "[ . 1 . 2]" 3
9 1 23 CYS SG 1 44 CYS CB 2.990 2.490 3.490 3.027 3.022 3.035 . 0 0 "[ . 1 . 2]" 3
10 1 27 CYS SG 1 46 CYS SG 2.020 . 2.040 2.020 2.018 2.021 . 0 0 "[ . 1 . 2]" 3
11 1 27 CYS CB 1 46 CYS SG 2.990 2.490 3.490 3.030 3.025 3.037 . 0 0 "[ . 1 . 2]" 3
12 1 27 CYS SG 1 46 CYS CB 2.990 2.490 3.490 3.024 3.015 3.027 . 0 0 "[ . 1 . 2]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 42
_Distance_constraint_stats_list.Viol_count 247
_Distance_constraint_stats_list.Viol_total 133.540
_Distance_constraint_stats_list.Viol_max 0.098
_Distance_constraint_stats_list.Viol_rms 0.0159
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0079
_Distance_constraint_stats_list.Viol_average_violations_only 0.0270
_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 2 ILE 0.847 0.070 17 0 "[ . 1 . 2]"
1 4 GLY 0.336 0.046 8 0 "[ . 1 . 2]"
1 5 TYR 0.452 0.082 15 0 "[ . 1 . 2]"
1 10 TRP 0.393 0.053 6 0 "[ . 1 . 2]"
1 15 ILE 0.617 0.098 11 0 "[ . 1 . 2]"
1 21 LYS 0.093 0.048 12 0 "[ . 1 . 2]"
1 23 CYS 0.265 0.051 6 0 "[ . 1 . 2]"
1 24 ASN 0.498 0.061 6 0 "[ . 1 . 2]"
1 25 ASP 0.093 0.048 12 0 "[ . 1 . 2]"
1 26 LEU 0.101 0.027 6 0 "[ . 1 . 2]"
1 27 CYS 0.402 0.051 6 0 "[ . 1 . 2]"
1 28 LYS 1.094 0.061 6 0 "[ . 1 . 2]"
1 29 GLY 0.101 0.027 6 0 "[ . 1 . 2]"
1 30 LEU 0.021 0.010 3 0 "[ . 1 . 2]"
1 31 LYS 0.596 0.046 17 0 "[ . 1 . 2]"
1 32 ALA 0.116 0.026 2 0 "[ . 1 . 2]"
1 33 ASP 0.694 0.090 11 0 "[ . 1 . 2]"
1 34 SER 0.057 0.019 6 0 "[ . 1 . 2]"
1 35 GLY 0.694 0.090 11 0 "[ . 1 . 2]"
1 36 TYR 0.317 0.043 8 0 "[ . 1 . 2]"
1 38 TRP 0.852 0.087 11 0 "[ . 1 . 2]"
1 43 SER 0.852 0.087 11 0 "[ . 1 . 2]"
1 44 CYS 0.617 0.098 11 0 "[ . 1 . 2]"
1 45 TYR 0.317 0.043 8 0 "[ . 1 . 2]"
1 46 CYS 0.336 0.046 8 0 "[ . 1 . 2]"
1 47 GLN 0.057 0.019 6 0 "[ . 1 . 2]"
1 49 LEU 0.847 0.070 17 0 "[ . 1 . 2]"
1 50 PRO 0.312 0.055 14 0 "[ . 1 . 2]"
1 53 ALA 0.312 0.055 14 0 "[ . 1 . 2]"
1 56 LYS 0.452 0.082 15 0 "[ . 1 . 2]"
1 61 CYS 0.110 0.052 6 0 "[ . 1 . 2]"
1 62 ARG 0.393 0.053 6 0 "[ . 1 . 2]"
1 63 ALA 0.110 0.052 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 2 ILE O 1 49 LEU H 2.000 . 2.300 2.257 1.962 2.347 0.047 8 0 "[ . 1 . 2]" 4
2 1 2 ILE O 1 49 LEU N 3.000 2.800 3.300 3.219 2.920 3.308 0.008 16 0 "[ . 1 . 2]" 4
3 1 4 GLY O 1 46 CYS H 2.000 . 2.300 2.174 1.992 2.312 0.012 4 0 "[ . 1 . 2]" 4
4 1 4 GLY O 1 46 CYS N 3.000 2.800 3.300 3.082 2.934 3.212 . 0 0 "[ . 1 . 2]" 4
5 1 5 TYR O 1 56 LYS H 2.000 . 2.300 2.180 1.919 2.354 0.054 15 0 "[ . 1 . 2]" 4
6 1 5 TYR O 1 56 LYS N 3.000 2.800 3.300 2.913 2.718 3.234 0.082 15 0 "[ . 1 . 2]" 4
7 1 10 TRP O 1 62 ARG H 2.000 . 2.300 1.956 1.800 2.353 0.053 6 0 "[ . 1 . 2]" 4
8 1 10 TRP O 1 62 ARG N 3.000 2.800 3.300 2.890 2.748 3.319 0.052 12 0 "[ . 1 . 2]" 4
9 1 15 ILE O 1 44 CYS H 2.000 . 2.300 2.263 1.883 2.398 0.098 11 0 "[ . 1 . 2]" 4
10 1 15 ILE O 1 44 CYS N 3.000 2.800 3.300 3.150 2.773 3.302 0.027 8 0 "[ . 1 . 2]" 4
11 1 21 LYS O 1 25 ASP H 2.000 . 2.300 2.048 1.807 2.308 0.008 14 0 "[ . 1 . 2]" 4
12 1 21 LYS O 1 25 ASP N 3.000 2.800 3.300 2.972 2.752 3.250 0.048 12 0 "[ . 1 . 2]" 4
13 1 23 CYS O 1 27 CYS H 2.000 . 2.300 1.963 1.794 2.326 0.026 12 0 "[ . 1 . 2]" 4
14 1 23 CYS O 1 27 CYS N 3.000 2.800 3.300 2.872 2.749 3.214 0.051 6 0 "[ . 1 . 2]" 4
15 1 24 ASN O 1 28 LYS H 2.000 . 2.300 1.864 1.784 2.001 0.016 6 0 "[ . 1 . 2]" 4
16 1 24 ASN O 1 28 LYS N 3.000 2.800 3.300 2.790 2.739 2.875 0.061 6 0 "[ . 1 . 2]" 4
17 1 26 LEU O 1 29 GLY H 2.000 . 2.300 2.218 2.036 2.327 0.027 6 0 "[ . 1 . 2]" 4
18 1 26 LEU O 1 29 GLY N 3.000 2.800 3.300 2.924 2.797 3.031 0.003 15 0 "[ . 1 . 2]" 4
19 1 27 CYS O 1 30 LEU H 2.000 . 2.300 2.148 2.043 2.300 . 0 0 "[ . 1 . 2]" 4
20 1 27 CYS O 1 30 LEU N 3.000 2.800 3.300 2.890 2.790 3.055 0.010 3 0 "[ . 1 . 2]" 4
21 1 27 CYS O 1 32 ALA H 2.000 . 2.300 1.933 1.878 2.052 . 0 0 "[ . 1 . 2]" 4
22 1 27 CYS O 1 32 ALA N 3.000 2.800 3.300 2.820 2.774 2.957 0.026 2 0 "[ . 1 . 2]" 4
23 1 28 LYS O 1 31 LYS H 2.000 . 2.300 1.998 1.868 2.335 0.035 13 0 "[ . 1 . 2]" 4
24 1 28 LYS O 1 31 LYS N 3.000 2.800 3.300 2.782 2.754 2.865 0.046 17 0 "[ . 1 . 2]" 4
25 1 33 ASP O 1 35 GLY H 2.000 . 2.300 2.286 2.150 2.363 0.063 11 0 "[ . 1 . 2]" 4
26 1 33 ASP O 1 35 GLY N 3.000 2.800 3.300 2.823 2.710 3.095 0.090 11 0 "[ . 1 . 2]" 4
27 1 34 SER O 1 47 GLN H 2.000 . 2.300 2.215 2.041 2.319 0.019 6 0 "[ . 1 . 2]" 4
28 1 34 SER O 1 47 GLN N 3.000 2.800 3.300 3.102 2.954 3.202 . 0 0 "[ . 1 . 2]" 4
29 1 36 TYR O 1 45 TYR H 2.000 . 2.300 2.007 1.810 2.309 0.009 17 0 "[ . 1 . 2]" 4
30 1 36 TYR O 1 45 TYR N 3.000 2.800 3.300 2.854 2.757 3.079 0.043 8 0 "[ . 1 . 2]" 4
31 1 38 TRP H 1 43 SER O 2.000 . 2.300 2.330 2.185 2.387 0.087 11 0 "[ . 1 . 2]" 4
32 1 38 TRP N 1 43 SER O 3.000 2.800 3.300 3.283 3.155 3.336 0.036 11 0 "[ . 1 . 2]" 4
33 1 36 TYR H 1 45 TYR O 2.000 . 2.300 2.138 1.829 2.337 0.037 3 0 "[ . 1 . 2]" 4
34 1 36 TYR N 1 45 TYR O 3.000 2.800 3.300 3.020 2.760 3.297 0.040 16 0 "[ . 1 . 2]" 4
35 1 4 GLY H 1 46 CYS O 2.000 . 2.300 2.307 2.155 2.346 0.046 8 0 "[ . 1 . 2]" 4
36 1 4 GLY N 1 46 CYS O 3.000 2.800 3.300 3.245 3.105 3.303 0.003 9 0 "[ . 1 . 2]" 4
37 1 2 ILE H 1 49 LEU O 2.000 . 2.300 1.985 1.796 2.202 0.004 8 0 "[ . 1 . 2]" 4
38 1 2 ILE N 1 49 LEU O 3.000 2.800 3.300 2.806 2.730 3.003 0.070 17 0 "[ . 1 . 2]" 4
39 1 50 PRO O 1 53 ALA H 2.000 . 2.300 1.926 1.873 2.070 . 0 0 "[ . 1 . 2]" 4
40 1 50 PRO O 1 53 ALA N 3.000 2.800 3.300 2.802 2.745 2.949 0.055 14 0 "[ . 1 . 2]" 4
41 1 61 CYS O 1 63 ALA H 2.000 . 2.300 2.149 1.926 2.352 0.052 6 0 "[ . 1 . 2]" 4
42 1 61 CYS O 1 63 ALA N 3.000 2.800 3.300 2.945 2.780 3.095 0.020 20 0 "[ . 1 . 2]" 4
stop_
save_
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