NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
396074 |
1s6x   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1s6x
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 628
_Distance_constraint_stats_list.Viol_count 731
_Distance_constraint_stats_list.Viol_total 860.324
_Distance_constraint_stats_list.Viol_max 0.288
_Distance_constraint_stats_list.Viol_rms 0.0185
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0034
_Distance_constraint_stats_list.Viol_average_violations_only 0.0588
_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 GLU 0.485 0.089 17 0 "[ . 1 . 2]"
1 2 CYS 1.226 0.141 6 0 "[ . 1 . 2]"
1 3 GLY 0.514 0.141 6 0 "[ . 1 . 2]"
1 4 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 PHE 2.626 0.111 5 0 "[ . 1 . 2]"
1 6 MET 4.609 0.274 6 0 "[ . 1 . 2]"
1 7 TRP 4.065 0.190 7 0 "[ . 1 . 2]"
1 8 LYS 1.243 0.104 14 0 "[ . 1 . 2]"
1 9 CYS 0.190 0.063 6 0 "[ . 1 . 2]"
1 10 LYS 0.815 0.074 20 0 "[ . 1 . 2]"
1 11 ASN 1.697 0.074 20 0 "[ . 1 . 2]"
1 12 SER 3.238 0.137 20 0 "[ . 1 . 2]"
1 13 ASN 0.360 0.047 11 0 "[ . 1 . 2]"
1 14 ASP 0.299 0.047 11 0 "[ . 1 . 2]"
1 15 CYS 2.270 0.088 11 0 "[ . 1 . 2]"
1 16 CYS 3.270 0.155 8 0 "[ . 1 . 2]"
1 17 LYS 1.923 0.126 16 0 "[ . 1 . 2]"
1 18 ASP 0.434 0.096 15 0 "[ . 1 . 2]"
1 19 LEU 2.891 0.156 2 0 "[ . 1 . 2]"
1 20 VAL 1.208 0.219 8 0 "[ . 1 . 2]"
1 21 CYS 0.754 0.060 16 0 "[ . 1 . 2]"
1 22 SER 3.497 0.253 7 0 "[ . 1 . 2]"
1 23 SER 3.012 0.168 12 0 "[ . 1 . 2]"
1 24 ARG 1.278 0.094 2 0 "[ . 1 . 2]"
1 25 TRP 1.603 0.094 2 0 "[ . 1 . 2]"
1 26 LYS 2.674 0.257 11 0 "[ . 1 . 2]"
1 27 TRP 10.028 0.274 6 0 "[ . 1 . 2]"
1 28 CYS 2.083 0.121 8 0 "[ . 1 . 2]"
1 29 VAL 3.966 0.288 10 0 "[ . 1 . 2]"
1 30 LEU 3.008 0.161 17 0 "[ . 1 . 2]"
1 31 ALA 2.267 0.219 8 0 "[ . 1 . 2]"
1 32 SER 1.177 0.144 6 0 "[ . 1 . 2]"
1 33 PRO 0.051 0.039 2 0 "[ . 1 . 2]"
1 34 PHE 0.059 0.039 2 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 GLU HA 1 1 GLU QB 2.500 . 2.700 2.313 2.199 2.544 . 0 0 "[ . 1 . 2]" 1
2 1 2 CYS H 1 2 CYS HA 3.000 . 3.500 2.908 2.770 3.003 . 0 0 "[ . 1 . 2]" 1
3 1 2 CYS H 1 2 CYS QB 3.000 . 4.100 2.280 2.032 2.845 . 0 0 "[ . 1 . 2]" 1
4 1 2 CYS HA 1 2 CYS QB 2.500 . 2.700 2.394 2.190 2.485 . 0 0 "[ . 1 . 2]" 1
5 1 3 GLY H 1 3 GLY QA 2.500 . 2.700 2.364 2.267 2.501 . 0 0 "[ . 1 . 2]" 1
6 1 4 LYS H 1 4 LYS QG 4.000 . 6.600 3.753 3.088 4.135 . 0 0 "[ . 1 . 2]" 1
7 1 4 LYS H 1 4 LYS QD 4.000 . 6.000 4.434 4.047 4.708 . 0 0 "[ . 1 . 2]" 1
8 1 4 LYS HA 1 4 LYS QB 2.500 . 2.700 2.475 2.301 2.547 . 0 0 "[ . 1 . 2]" 1
9 1 4 LYS HA 1 4 LYS QG 2.500 . 3.300 2.298 1.922 3.026 . 0 0 "[ . 1 . 2]" 1
10 1 4 LYS HA 1 4 LYS QD 2.500 . 3.700 2.756 1.890 3.407 . 0 0 "[ . 1 . 2]" 1
11 1 4 LYS QB 1 4 LYS QD 2.500 . 3.300 2.105 1.884 2.341 . 0 0 "[ . 1 . 2]" 1
12 1 5 PHE H 1 5 PHE HA 2.500 . 2.700 2.749 2.733 2.779 0.079 20 0 "[ . 1 . 2]" 1
13 1 5 PHE H 1 5 PHE HB3 2.500 . 2.700 2.599 2.445 2.731 0.031 4 0 "[ . 1 . 2]" 1
14 1 5 PHE H 1 5 PHE HB2 2.500 . 2.700 2.344 2.240 2.474 . 0 0 "[ . 1 . 2]" 1
15 1 5 PHE H 1 5 PHE QD 4.000 . 7.400 4.105 4.013 4.177 . 0 0 "[ . 1 . 2]" 1
16 1 5 PHE HA 1 5 PHE QB 2.500 . 2.700 2.374 2.321 2.410 . 0 0 "[ . 1 . 2]" 1
17 1 5 PHE HA 1 5 PHE QD 2.500 . 4.700 2.496 1.824 3.090 . 0 0 "[ . 1 . 2]" 1
18 1 5 PHE HA 1 5 PHE QE 4.000 . 7.000 4.474 4.199 4.721 . 0 0 "[ . 1 . 2]" 1
19 1 5 PHE QB 1 5 PHE QD 2.500 . 2.700 2.174 2.152 2.266 . 0 0 "[ . 1 . 2]" 1
20 1 5 PHE QB 1 5 PHE QE 4.000 . 5.000 3.974 3.961 4.002 . 0 0 "[ . 1 . 2]" 1
21 1 6 MET H 1 6 MET HA 2.500 . 2.700 2.352 2.337 2.363 . 0 0 "[ . 1 . 2]" 1
22 1 6 MET H 1 6 MET ME 4.000 . 7.000 4.496 4.133 4.868 . 0 0 "[ . 1 . 2]" 1
23 1 6 MET H 1 6 MET QG 4.000 . 5.600 3.077 2.467 3.981 . 0 0 "[ . 1 . 2]" 1
24 1 6 MET HA 1 6 MET QB 2.500 . 2.700 2.390 2.285 2.543 . 0 0 "[ . 1 . 2]" 1
25 1 6 MET HA 1 6 MET QG 3.000 . 4.100 2.317 1.968 2.603 . 0 0 "[ . 1 . 2]" 1
26 1 6 MET QB 1 6 MET ME 4.000 . 6.000 2.944 1.840 3.566 . 0 0 "[ . 1 . 2]" 1
27 1 7 TRP H 1 7 TRP HA 3.000 . 3.500 2.912 2.860 2.973 . 0 0 "[ . 1 . 2]" 1
28 1 7 TRP H 1 7 TRP HD1 2.500 . 2.700 2.742 2.651 2.775 0.075 17 0 "[ . 1 . 2]" 1
29 1 7 TRP H 1 7 TRP HE1 4.000 . 6.000 5.226 5.150 5.296 . 0 0 "[ . 1 . 2]" 1
30 1 7 TRP H 1 7 TRP HE3 4.000 . 6.000 5.544 5.492 5.627 . 0 0 "[ . 1 . 2]" 1
31 1 7 TRP H 1 7 TRP HB3 3.000 . 3.500 3.431 3.392 3.500 . 0 0 "[ . 1 . 2]" 1
32 1 7 TRP H 1 7 TRP HB2 3.000 . 3.500 2.080 2.029 2.182 . 0 0 "[ . 1 . 2]" 1
33 1 7 TRP HA 1 7 TRP HD1 3.000 . 3.500 2.628 2.454 2.956 . 0 0 "[ . 1 . 2]" 1
34 1 7 TRP HA 1 7 TRP HE1 4.000 . 6.000 4.522 4.447 4.686 . 0 0 "[ . 1 . 2]" 1
35 1 7 TRP HA 1 7 TRP HE3 4.000 . 5.000 4.571 4.327 4.717 . 0 0 "[ . 1 . 2]" 1
36 1 7 TRP HA 1 7 TRP QB 2.500 . 2.700 2.500 2.470 2.515 . 0 0 "[ . 1 . 2]" 1
37 1 7 TRP HB3 1 7 TRP HE3 3.000 . 3.500 2.477 2.392 2.555 . 0 0 "[ . 1 . 2]" 1
38 1 7 TRP HB2 1 7 TRP HE3 3.000 . 3.500 3.611 3.553 3.690 0.190 7 0 "[ . 1 . 2]" 1
39 1 7 TRP HB3 1 7 TRP HZ3 4.000 . 6.000 4.923 4.855 4.992 . 0 0 "[ . 1 . 2]" 1
40 1 7 TRP HB2 1 7 TRP HZ3 4.000 . 6.000 5.909 5.851 5.993 . 0 0 "[ . 1 . 2]" 1
41 1 8 LYS H 1 8 LYS HA 3.000 . 3.500 2.841 2.777 2.947 . 0 0 "[ . 1 . 2]" 1
42 1 8 LYS H 1 8 LYS QB 2.500 . 3.300 2.192 1.934 2.643 . 0 0 "[ . 1 . 2]" 1
43 1 8 LYS HA 1 8 LYS QB 2.500 . 2.700 2.406 2.200 2.547 . 0 0 "[ . 1 . 2]" 1
44 1 9 CYS H 1 9 CYS HA 3.000 . 3.500 2.990 2.980 3.003 . 0 0 "[ . 1 . 2]" 1
45 1 9 CYS H 1 9 CYS QB 2.500 . 3.300 3.081 2.896 3.163 . 0 0 "[ . 1 . 2]" 1
46 1 9 CYS HA 1 9 CYS QB 2.500 . 2.700 2.190 2.169 2.200 . 0 0 "[ . 1 . 2]" 1
47 1 10 LYS H 1 10 LYS HA 3.000 . 3.500 2.990 2.943 3.003 . 0 0 "[ . 1 . 2]" 1
48 1 10 LYS H 1 10 LYS QB 2.500 . 3.300 2.627 2.091 2.864 . 0 0 "[ . 1 . 2]" 1
49 1 10 LYS H 1 10 LYS QG 4.000 . 6.000 2.079 1.825 3.126 . 0 0 "[ . 1 . 2]" 1
50 1 10 LYS H 1 10 LYS QD 4.000 . 7.000 3.776 3.223 4.308 . 0 0 "[ . 1 . 2]" 1
51 1 10 LYS H 1 10 LYS QE 4.000 . 6.000 4.516 2.943 5.138 . 0 0 "[ . 1 . 2]" 1
52 1 10 LYS HA 1 10 LYS QB 2.500 . 2.700 2.200 2.184 2.211 . 0 0 "[ . 1 . 2]" 1
53 1 10 LYS HA 1 10 LYS QG 3.000 . 4.100 3.319 3.285 3.393 . 0 0 "[ . 1 . 2]" 1
54 1 10 LYS HA 1 10 LYS QD 4.000 . 6.000 4.128 2.731 4.532 . 0 0 "[ . 1 . 2]" 1
55 1 10 LYS HA 1 10 LYS QE 4.000 . 7.000 4.761 3.893 5.407 . 0 0 "[ . 1 . 2]" 1
56 1 10 LYS QB 1 10 LYS QE 4.000 . 6.000 2.722 1.874 3.603 . 0 0 "[ . 1 . 2]" 1
57 1 11 ASN H 1 11 ASN HA 3.000 . 3.500 2.898 2.837 2.953 . 0 0 "[ . 1 . 2]" 1
58 1 11 ASN H 1 11 ASN QB 3.000 . 4.100 2.816 2.622 2.940 . 0 0 "[ . 1 . 2]" 1
59 1 11 ASN H 1 11 ASN QD 4.000 . 6.000 4.983 4.391 5.328 . 0 0 "[ . 1 . 2]" 1
60 1 11 ASN QB 1 11 ASN QD 2.500 . 3.300 2.256 2.180 2.533 . 0 0 "[ . 1 . 2]" 1
61 1 12 SER H 1 12 SER HA 2.500 . 2.700 2.804 2.788 2.837 0.137 20 0 "[ . 1 . 2]" 1
62 1 12 SER H 1 12 SER QB 2.500 . 3.300 2.940 2.899 2.974 . 0 0 "[ . 1 . 2]" 1
63 1 12 SER HA 1 12 SER QB 2.500 . 2.700 2.446 2.250 2.547 . 0 0 "[ . 1 . 2]" 1
64 1 13 ASN H 1 13 ASN HA 3.000 . 3.500 2.932 2.832 3.001 . 0 0 "[ . 1 . 2]" 1
65 1 13 ASN H 1 13 ASN QB 2.500 . 3.300 2.203 1.933 2.605 . 0 0 "[ . 1 . 2]" 1
66 1 13 ASN H 1 13 ASN QD 4.000 . 7.000 3.526 1.899 4.755 . 0 0 "[ . 1 . 2]" 1
67 1 13 ASN HA 1 13 ASN QB 2.500 . 2.700 2.432 2.185 2.546 . 0 0 "[ . 1 . 2]" 1
68 1 13 ASN QB 1 13 ASN QD 4.000 . 5.600 2.375 2.197 2.736 . 0 0 "[ . 1 . 2]" 1
69 1 14 ASP H 1 14 ASP HA 3.000 . 3.500 2.995 2.960 3.004 . 0 0 "[ . 1 . 2]" 1
70 1 14 ASP H 1 14 ASP QB 2.500 . 3.300 2.345 2.084 2.547 . 0 0 "[ . 1 . 2]" 1
71 1 15 CYS H 1 15 CYS HA 3.000 . 3.500 2.926 2.917 2.946 . 0 0 "[ . 1 . 2]" 1
72 1 15 CYS H 1 15 CYS HB3 3.000 . 3.500 3.529 3.515 3.543 0.043 15 0 "[ . 1 . 2]" 1
73 1 15 CYS H 1 15 CYS HB2 2.500 . 2.700 2.362 2.268 2.492 . 0 0 "[ . 1 . 2]" 1
74 1 15 CYS HA 1 15 CYS QB 2.500 . 2.700 2.367 2.326 2.406 . 0 0 "[ . 1 . 2]" 1
75 1 16 CYS H 1 16 CYS HA 3.000 . 3.500 2.880 2.792 2.978 . 0 0 "[ . 1 . 2]" 1
76 1 16 CYS H 1 16 CYS HB3 3.000 . 3.500 3.327 3.133 3.521 0.021 15 0 "[ . 1 . 2]" 1
77 1 16 CYS H 1 16 CYS HB2 2.500 . 2.700 2.033 1.957 2.312 . 0 0 "[ . 1 . 2]" 1
78 1 16 CYS HA 1 16 CYS HB3 2.500 . 2.700 2.755 2.568 2.855 0.155 8 0 "[ . 1 . 2]" 1
79 1 17 LYS H 1 17 LYS HA 2.500 . 2.700 2.786 2.745 2.826 0.126 16 0 "[ . 1 . 2]" 1
80 1 17 LYS H 1 17 LYS HB3 2.500 . 2.700 2.582 2.373 2.754 0.054 12 0 "[ . 1 . 2]" 1
81 1 17 LYS H 1 17 LYS HB2 2.500 . 2.700 2.311 2.135 2.536 . 0 0 "[ . 1 . 2]" 1
82 1 17 LYS H 1 17 LYS QG 3.000 . 4.500 3.908 3.788 4.020 . 0 0 "[ . 1 . 2]" 1
83 1 17 LYS HA 1 17 LYS HB3 3.000 . 3.500 3.029 3.013 3.038 . 0 0 "[ . 1 . 2]" 1
84 1 17 LYS HA 1 17 LYS HB2 3.000 . 3.500 2.507 2.397 2.599 . 0 0 "[ . 1 . 2]" 1
85 1 17 LYS HA 1 17 LYS QG 3.000 . 4.100 2.409 2.167 2.832 . 0 0 "[ . 1 . 2]" 1
86 1 18 ASP H 1 18 ASP HA 2.500 . 2.700 2.364 2.356 2.369 . 0 0 "[ . 1 . 2]" 1
87 1 18 ASP H 1 18 ASP HB2 4.000 . 5.000 3.291 3.141 3.671 . 0 0 "[ . 1 . 2]" 1
88 1 18 ASP H 1 18 ASP HB3 4.000 . 5.000 4.066 4.014 4.085 . 0 0 "[ . 1 . 2]" 1
89 1 18 ASP HA 1 18 ASP HB2 3.000 . 3.500 3.002 2.952 3.037 . 0 0 "[ . 1 . 2]" 1
90 1 18 ASP HA 1 18 ASP HB3 2.500 . 2.700 2.623 2.393 2.742 0.042 8 0 "[ . 1 . 2]" 1
91 1 19 LEU H 1 19 LEU HA 3.000 . 3.500 2.991 2.968 3.004 . 0 0 "[ . 1 . 2]" 1
92 1 19 LEU H 1 19 LEU HG 4.000 . 5.000 4.624 4.571 4.696 . 0 0 "[ . 1 . 2]" 1
93 1 19 LEU H 1 19 LEU QB 2.500 . 3.300 2.528 2.385 2.653 . 0 0 "[ . 1 . 2]" 1
94 1 19 LEU H 1 19 LEU QD 3.000 . 5.900 3.776 3.610 3.862 . 0 0 "[ . 1 . 2]" 1
95 1 19 LEU HA 1 19 LEU HG 3.000 . 3.500 2.678 2.572 2.862 . 0 0 "[ . 1 . 2]" 1
96 1 19 LEU HA 1 19 LEU QB 2.500 . 2.700 2.484 2.455 2.503 . 0 0 "[ . 1 . 2]" 1
97 1 19 LEU HA 1 19 LEU QD 2.500 . 5.100 1.821 1.773 2.013 0.027 8 0 "[ . 1 . 2]" 1
98 1 19 LEU QB 1 19 LEU HG 2.500 . 2.700 2.395 2.341 2.422 . 0 0 "[ . 1 . 2]" 1
99 1 20 VAL H 1 20 VAL HA 3.000 . 3.500 2.989 2.974 2.998 . 0 0 "[ . 1 . 2]" 1
100 1 20 VAL H 1 20 VAL HB 4.000 . 5.000 3.785 3.702 3.878 . 0 0 "[ . 1 . 2]" 1
101 1 20 VAL H 1 20 VAL QG 2.500 . 3.700 1.915 1.801 2.131 . 0 0 "[ . 1 . 2]" 1
102 1 20 VAL HA 1 20 VAL HB 2.500 . 2.700 2.523 2.436 2.570 . 0 0 "[ . 1 . 2]" 1
103 1 20 VAL HA 1 20 VAL QG 2.500 . 3.300 2.208 2.094 2.335 . 0 0 "[ . 1 . 2]" 1
104 1 21 CYS H 1 21 CYS HA 3.000 . 3.500 2.867 2.807 2.903 . 0 0 "[ . 1 . 2]" 1
105 1 21 CYS H 1 21 CYS HB3 3.000 . 3.500 2.564 2.326 2.880 . 0 0 "[ . 1 . 2]" 1
106 1 21 CYS H 1 21 CYS HB2 2.500 . 2.700 2.298 2.060 2.566 . 0 0 "[ . 1 . 2]" 1
107 1 21 CYS HA 1 21 CYS HB2 2.500 . 2.700 2.544 2.439 2.707 0.007 20 0 "[ . 1 . 2]" 1
108 1 22 SER H 1 22 SER HA 3.000 . 3.500 2.985 2.970 3.001 . 0 0 "[ . 1 . 2]" 1
109 1 22 SER H 1 22 SER QB 2.500 . 3.300 2.560 2.409 2.834 . 0 0 "[ . 1 . 2]" 1
110 1 22 SER HA 1 22 SER QB 2.500 . 2.700 2.468 2.228 2.546 . 0 0 "[ . 1 . 2]" 1
111 1 23 SER H 1 23 SER HA 2.500 . 2.700 2.851 2.828 2.868 0.168 12 0 "[ . 1 . 2]" 1
112 1 23 SER H 1 23 SER QB 2.500 . 3.300 2.083 1.910 2.682 . 0 0 "[ . 1 . 2]" 1
113 1 24 ARG H 1 24 ARG HB3 3.000 . 3.500 2.681 2.348 2.894 . 0 0 "[ . 1 . 2]" 1
114 1 24 ARG H 1 24 ARG HB2 3.000 . 3.500 2.266 2.093 2.557 . 0 0 "[ . 1 . 2]" 1
115 1 24 ARG H 1 24 ARG QG 4.000 . 6.000 3.873 3.768 3.958 . 0 0 "[ . 1 . 2]" 1
116 1 24 ARG H 1 24 ARG QD 4.000 . 7.000 4.354 4.147 4.698 . 0 0 "[ . 1 . 2]" 1
117 1 24 ARG HA 1 24 ARG HE 4.000 . 6.000 4.944 4.200 5.424 . 0 0 "[ . 1 . 2]" 1
118 1 24 ARG HA 1 24 ARG HB3 3.000 . 3.500 3.009 2.965 3.038 . 0 0 "[ . 1 . 2]" 1
119 1 24 ARG HA 1 24 ARG QG 3.000 . 4.100 2.228 2.063 2.437 . 0 0 "[ . 1 . 2]" 1
120 1 24 ARG HA 1 24 ARG QD 4.000 . 6.000 3.639 2.729 4.088 . 0 0 "[ . 1 . 2]" 1
121 1 24 ARG HB3 1 24 ARG HE 4.000 . 6.000 3.282 1.929 4.475 . 0 0 "[ . 1 . 2]" 1
122 1 24 ARG HB2 1 24 ARG HE 4.000 . 6.000 4.258 3.404 4.856 . 0 0 "[ . 1 . 2]" 1
123 1 24 ARG HE 1 24 ARG QG 3.000 . 4.100 2.585 2.111 2.989 . 0 0 "[ . 1 . 2]" 1
124 1 25 TRP H 1 25 TRP HA 3.000 . 3.500 2.954 2.926 2.985 . 0 0 "[ . 1 . 2]" 1
125 1 25 TRP H 1 25 TRP QB 3.000 . 4.100 2.343 2.230 2.468 . 0 0 "[ . 1 . 2]" 1
126 1 25 TRP HA 1 25 TRP HD1 4.000 . 5.000 4.379 4.144 4.536 . 0 0 "[ . 1 . 2]" 1
127 1 25 TRP HA 1 25 TRP HE1 4.000 . 6.000 5.497 5.392 5.641 . 0 0 "[ . 1 . 2]" 1
128 1 25 TRP HA 1 25 TRP HE3 4.000 . 5.000 2.612 2.289 3.205 . 0 0 "[ . 1 . 2]" 1
129 1 25 TRP HA 1 25 TRP HB2 3.000 . 3.500 3.033 3.023 3.040 . 0 0 "[ . 1 . 2]" 1
130 1 25 TRP HA 1 25 TRP HB3 2.500 . 2.700 2.478 2.416 2.533 . 0 0 "[ . 1 . 2]" 1
131 1 25 TRP QB 1 25 TRP HE3 3.000 . 4.100 2.796 2.586 2.925 . 0 0 "[ . 1 . 2]" 1
132 1 25 TRP HH2 1 25 TRP HZ3 2.500 . 2.700 2.482 2.481 2.484 . 0 0 "[ . 1 . 2]" 1
133 1 26 LYS H 1 26 LYS HA 3.000 . 3.500 2.349 2.339 2.356 . 0 0 "[ . 1 . 2]" 1
134 1 26 LYS H 1 26 LYS QB 3.000 . 4.100 2.939 2.783 3.384 . 0 0 "[ . 1 . 2]" 1
135 1 26 LYS H 1 26 LYS QG 3.000 . 4.500 3.568 2.325 3.982 . 0 0 "[ . 1 . 2]" 1
136 1 26 LYS H 1 26 LYS QD 4.000 . 6.000 4.312 3.528 4.668 . 0 0 "[ . 1 . 2]" 1
137 1 26 LYS HA 1 26 LYS QB 2.500 . 2.700 2.176 2.169 2.187 . 0 0 "[ . 1 . 2]" 1
138 1 26 LYS HA 1 26 LYS QG 3.000 . 4.100 3.253 3.035 3.444 . 0 0 "[ . 1 . 2]" 1
139 1 26 LYS HA 1 26 LYS QD 4.000 . 6.000 4.295 3.715 4.567 . 0 0 "[ . 1 . 2]" 1
140 1 27 TRP H 1 27 TRP HA 2.500 . 2.700 2.839 2.825 2.852 0.152 20 0 "[ . 1 . 2]" 1
141 1 27 TRP HA 1 27 TRP HD1 4.000 . 5.000 3.930 3.901 3.964 . 0 0 "[ . 1 . 2]" 1
142 1 27 TRP HA 1 27 TRP HE3 4.000 . 5.000 4.903 4.795 4.937 . 0 0 "[ . 1 . 2]" 1
143 1 27 TRP HA 1 27 TRP QB 2.500 . 2.700 2.198 2.185 2.204 . 0 0 "[ . 1 . 2]" 1
144 1 27 TRP QB 1 27 TRP HE3 2.500 . 3.300 2.477 2.443 2.504 . 0 0 "[ . 1 . 2]" 1
145 1 27 TRP HH2 1 27 TRP HZ3 2.500 . 2.700 2.480 2.478 2.482 . 0 0 "[ . 1 . 2]" 1
146 1 28 CYS H 1 28 CYS HA 3.000 . 3.500 2.877 2.833 2.917 . 0 0 "[ . 1 . 2]" 1
147 1 28 CYS H 1 28 CYS HB3 3.000 . 3.500 3.507 3.493 3.519 0.019 2 0 "[ . 1 . 2]" 1
148 1 28 CYS H 1 28 CYS HB2 2.500 . 2.700 2.279 2.213 2.376 . 0 0 "[ . 1 . 2]" 1
149 1 28 CYS HA 1 28 CYS HB2 3.000 . 3.500 3.034 3.028 3.038 . 0 0 "[ . 1 . 2]" 1
150 1 28 CYS HA 1 28 CYS HB3 2.500 . 2.700 2.545 2.494 2.585 . 0 0 "[ . 1 . 2]" 1
151 1 29 VAL H 1 29 VAL HA 3.000 . 3.500 2.976 2.921 3.002 . 0 0 "[ . 1 . 2]" 1
152 1 29 VAL H 1 29 VAL HB 4.000 . 5.000 3.528 2.538 3.713 . 0 0 "[ . 1 . 2]" 1
153 1 29 VAL H 1 29 VAL QG 3.000 . 4.500 1.856 1.711 2.320 0.089 6 0 "[ . 1 . 2]" 1
154 1 29 VAL HA 1 29 VAL HB 2.500 . 2.700 2.546 2.419 2.988 0.288 10 0 "[ . 1 . 2]" 1
155 1 30 LEU H 1 30 LEU HA 3.000 . 3.500 2.834 2.746 2.905 . 0 0 "[ . 1 . 2]" 1
156 1 30 LEU H 1 30 LEU HG 4.000 . 5.000 1.866 1.798 2.129 0.002 16 0 "[ . 1 . 2]" 1
157 1 30 LEU H 1 30 LEU QB 2.500 . 3.300 2.472 2.264 2.604 . 0 0 "[ . 1 . 2]" 1
158 1 30 LEU HA 1 30 LEU HG 3.000 . 3.500 3.130 2.651 3.518 0.018 6 0 "[ . 1 . 2]" 1
159 1 30 LEU HA 1 30 LEU QB 2.500 . 2.700 2.295 2.189 2.409 . 0 0 "[ . 1 . 2]" 1
160 1 30 LEU QB 1 30 LEU HG 2.500 . 3.300 2.481 2.354 2.555 . 0 0 "[ . 1 . 2]" 1
161 1 31 ALA H 1 31 ALA HA 3.000 . 3.500 2.755 2.375 2.990 . 0 0 "[ . 1 . 2]" 1
162 1 31 ALA H 1 31 ALA MB 2.500 . 3.300 2.304 2.031 2.713 . 0 0 "[ . 1 . 2]" 1
163 1 32 SER H 1 32 SER HA 3.000 . 3.500 2.767 2.362 3.006 . 0 0 "[ . 1 . 2]" 1
164 1 32 SER H 1 32 SER QB 2.500 . 3.300 2.509 1.955 2.945 . 0 0 "[ . 1 . 2]" 1
165 1 34 PHE H 1 34 PHE HA 3.000 . 3.500 2.791 2.364 3.002 . 0 0 "[ . 1 . 2]" 1
166 1 34 PHE HA 1 34 PHE QB 2.500 . 2.700 2.444 2.185 2.548 . 0 0 "[ . 1 . 2]" 1
167 1 34 PHE HA 1 34 PHE QD 4.000 . 6.000 2.746 1.919 3.610 . 0 0 "[ . 1 . 2]" 1
168 1 1 GLU HA 1 2 CYS H 2.500 . 2.700 2.680 2.555 2.789 0.089 17 0 "[ . 1 . 2]" 1
169 1 1 GLU QB 1 2 CYS H 2.500 . 2.700 2.135 1.959 2.426 . 0 0 "[ . 1 . 2]" 1
170 1 1 GLU QG 1 2 CYS H 4.000 . 6.000 3.498 2.275 4.382 . 0 0 "[ . 1 . 2]" 1
171 1 1 GLU QB 1 7 TRP HZ3 4.000 . 6.000 4.495 3.432 5.341 . 0 0 "[ . 1 . 2]" 1
172 1 1 GLU QB 1 7 TRP HH2 4.000 . 7.000 5.612 4.518 6.264 . 0 0 "[ . 1 . 2]" 1
173 1 1 GLU QG 1 7 TRP HZ3 4.000 . 6.000 4.370 3.073 5.417 . 0 0 "[ . 1 . 2]" 1
174 1 1 GLU QG 1 7 TRP HH2 4.000 . 7.000 5.497 3.936 6.300 . 0 0 "[ . 1 . 2]" 1
175 1 2 CYS H 1 3 GLY H 4.000 . 6.000 4.319 3.842 4.592 . 0 0 "[ . 1 . 2]" 1
176 1 2 CYS HA 1 3 GLY H 2.500 . 2.700 2.373 2.213 2.841 0.141 6 0 "[ . 1 . 2]" 1
177 1 2 CYS QB 1 3 GLY H 3.000 . 4.500 3.491 2.050 4.025 . 0 0 "[ . 1 . 2]" 1
178 1 2 CYS H 1 16 CYS HA 4.000 . 5.000 4.900 4.567 5.043 0.043 16 0 "[ . 1 . 2]" 1
179 1 2 CYS HA 1 16 CYS H 4.000 . 5.000 4.186 3.664 5.124 0.124 15 0 "[ . 1 . 2]" 1
180 1 2 CYS QB 1 16 CYS H 4.000 . 6.000 4.820 2.935 5.492 . 0 0 "[ . 1 . 2]" 1
181 1 2 CYS QB 1 17 LYS H 4.000 . 6.000 4.286 3.300 4.818 . 0 0 "[ . 1 . 2]" 1
182 1 3 GLY H 1 4 LYS H 4.000 . 6.000 4.391 3.746 4.637 . 0 0 "[ . 1 . 2]" 1
183 1 3 GLY QA 1 4 LYS H 4.000 . 6.000 2.203 2.147 2.305 . 0 0 "[ . 1 . 2]" 1
184 1 3 GLY H 1 15 CYS HA 3.000 . 3.500 3.168 2.192 3.542 0.042 11 0 "[ . 1 . 2]" 1
185 1 3 GLY H 1 16 CYS H 3.000 . 3.500 2.845 2.383 3.518 0.018 11 0 "[ . 1 . 2]" 1
186 1 3 GLY H 1 16 CYS HB2 4.000 . 6.000 3.686 3.071 5.040 . 0 0 "[ . 1 . 2]" 1
187 1 3 GLY QA 1 16 CYS H 4.000 . 6.000 3.994 2.908 5.227 . 0 0 "[ . 1 . 2]" 1
188 1 3 GLY H 1 7 TRP HE3 4.000 . 6.000 4.446 4.115 4.849 . 0 0 "[ . 1 . 2]" 1
189 1 4 LYS H 1 5 PHE H 4.000 . 6.000 4.610 4.371 4.670 . 0 0 "[ . 1 . 2]" 1
190 1 4 LYS HA 1 5 PHE H 2.500 . 2.700 2.379 2.293 2.504 . 0 0 "[ . 1 . 2]" 1
191 1 4 LYS HA 1 5 PHE QB 4.000 . 7.000 4.236 4.157 4.337 . 0 0 "[ . 1 . 2]" 1
192 1 4 LYS QB 1 5 PHE H 3.000 . 4.500 3.254 2.760 3.592 . 0 0 "[ . 1 . 2]" 1
193 1 4 LYS QD 1 5 PHE H 2.500 . 3.700 2.350 1.837 2.955 . 0 0 "[ . 1 . 2]" 1
194 1 4 LYS H 1 7 TRP H 4.000 . 6.000 4.765 3.884 5.034 . 0 0 "[ . 1 . 2]" 1
195 1 4 LYS H 1 7 TRP HD1 4.000 . 5.000 3.733 3.313 4.316 . 0 0 "[ . 1 . 2]" 1
196 1 4 LYS H 1 7 TRP HE1 4.000 . 6.000 3.489 3.034 4.183 . 0 0 "[ . 1 . 2]" 1
197 1 4 LYS H 1 7 TRP HE3 4.000 . 5.000 3.527 2.949 3.832 . 0 0 "[ . 1 . 2]" 1
198 1 4 LYS H 1 7 TRP HZ3 4.000 . 6.000 4.433 3.885 4.882 . 0 0 "[ . 1 . 2]" 1
199 1 4 LYS H 1 7 TRP QB 3.000 . 4.500 3.264 2.421 3.538 . 0 0 "[ . 1 . 2]" 1
200 1 4 LYS HA 1 7 TRP HD1 4.000 . 6.000 5.037 4.722 5.384 . 0 0 "[ . 1 . 2]" 1
201 1 4 LYS HA 1 7 TRP HE1 4.000 . 6.000 5.214 4.936 5.635 . 0 0 "[ . 1 . 2]" 1
202 1 4 LYS QB 1 7 TRP H 4.000 . 7.000 4.604 4.319 4.931 . 0 0 "[ . 1 . 2]" 1
203 1 4 LYS QB 1 7 TRP HD1 3.000 . 4.500 3.034 2.625 3.556 . 0 0 "[ . 1 . 2]" 1
204 1 4 LYS QB 1 7 TRP HE1 3.000 . 4.500 2.429 2.115 2.749 . 0 0 "[ . 1 . 2]" 1
205 1 4 LYS QB 1 7 TRP HE3 4.000 . 7.000 5.127 4.454 5.536 . 0 0 "[ . 1 . 2]" 1
206 1 4 LYS QB 1 7 TRP HZ2 4.000 . 6.000 3.520 3.194 3.809 . 0 0 "[ . 1 . 2]" 1
207 1 4 LYS QG 1 7 TRP HZ2 4.000 . 7.000 4.959 4.307 5.483 . 0 0 "[ . 1 . 2]" 1
208 1 4 LYS QD 1 7 TRP H 4.000 . 7.000 5.650 4.580 6.296 . 0 0 "[ . 1 . 2]" 1
209 1 4 LYS QD 1 7 TRP HD1 4.000 . 6.000 4.768 3.640 5.407 . 0 0 "[ . 1 . 2]" 1
210 1 4 LYS QD 1 7 TRP HE1 4.000 . 6.000 4.622 3.773 5.218 . 0 0 "[ . 1 . 2]" 1
211 1 4 LYS QD 1 7 TRP HZ2 4.000 . 7.000 6.024 5.428 6.311 . 0 0 "[ . 1 . 2]" 1
212 1 4 LYS QE 1 7 TRP HD1 4.000 . 7.000 5.695 4.733 6.265 . 0 0 "[ . 1 . 2]" 1
213 1 4 LYS HA 1 16 CYS H 4.000 . 6.000 4.573 4.027 5.508 . 0 0 "[ . 1 . 2]" 1
214 1 4 LYS HA 1 16 CYS HB3 4.000 . 6.000 4.847 4.269 5.738 . 0 0 "[ . 1 . 2]" 1
215 1 4 LYS HA 1 16 CYS HB2 4.000 . 6.000 3.656 3.079 4.787 . 0 0 "[ . 1 . 2]" 1
216 1 5 PHE QD 1 6 MET QB 4.000 . 8.400 3.218 1.832 4.399 . 0 0 "[ . 1 . 2]" 1
217 1 5 PHE H 1 6 MET H 4.000 . 5.000 4.667 4.635 4.688 . 0 0 "[ . 1 . 2]" 1
218 1 5 PHE HA 1 6 MET H 2.500 . 2.700 2.296 2.232 2.372 . 0 0 "[ . 1 . 2]" 1
219 1 5 PHE HA 1 6 MET HA 4.000 . 5.000 4.557 4.509 4.607 . 0 0 "[ . 1 . 2]" 1
220 1 5 PHE HZ 1 6 MET ME 4.000 . 6.000 3.580 2.659 4.280 . 0 0 "[ . 1 . 2]" 1
221 1 5 PHE HZ 1 6 MET QG 4.000 . 6.000 4.217 3.299 5.002 . 0 0 "[ . 1 . 2]" 1
222 1 5 PHE HB3 1 6 MET H 4.000 . 6.000 3.884 3.724 4.009 . 0 0 "[ . 1 . 2]" 1
223 1 5 PHE HB2 1 6 MET H 4.000 . 5.000 4.064 3.948 4.231 . 0 0 "[ . 1 . 2]" 1
224 1 5 PHE QD 1 6 MET H 2.500 . 5.100 2.834 1.955 3.304 . 0 0 "[ . 1 . 2]" 1
225 1 5 PHE QD 1 6 MET HA 4.000 . 7.400 4.135 3.157 4.641 . 0 0 "[ . 1 . 2]" 1
226 1 5 PHE QD 1 6 MET ME 4.000 . 7.400 2.999 1.919 3.992 . 0 0 "[ . 1 . 2]" 1
227 1 5 PHE QD 1 6 MET QG 3.000 . 5.900 2.591 1.787 4.327 0.013 1 0 "[ . 1 . 2]" 1
228 1 5 PHE QE 1 6 MET H 4.000 . 8.400 3.775 3.311 4.204 . 0 0 "[ . 1 . 2]" 1
229 1 5 PHE QE 1 6 MET ME 3.000 . 5.900 2.085 1.689 3.193 0.111 5 0 "[ . 1 . 2]" 1
230 1 5 PHE QE 1 6 MET QG 3.000 . 5.900 2.906 2.095 4.229 . 0 0 "[ . 1 . 2]" 1
231 1 5 PHE H 1 7 TRP H 4.000 . 6.000 4.714 4.566 5.012 . 0 0 "[ . 1 . 2]" 1
232 1 5 PHE HA 1 7 TRP H 4.000 . 5.000 3.254 3.176 3.370 . 0 0 "[ . 1 . 2]" 1
233 1 5 PHE HA 1 7 TRP HD1 4.000 . 6.000 4.944 4.638 5.187 . 0 0 "[ . 1 . 2]" 1
234 1 5 PHE QD 1 7 TRP H 4.000 . 8.400 4.717 4.203 5.057 . 0 0 "[ . 1 . 2]" 1
235 1 5 PHE H 1 19 LEU QD 3.000 . 5.900 2.810 2.440 3.166 . 0 0 "[ . 1 . 2]" 1
236 1 5 PHE HA 1 19 LEU QD 2.500 . 5.100 2.217 2.025 2.520 . 0 0 "[ . 1 . 2]" 1
237 1 5 PHE HZ 1 19 LEU QD 4.000 . 8.400 5.609 5.438 5.910 . 0 0 "[ . 1 . 2]" 1
238 1 5 PHE QB 1 19 LEU QD 4.000 . 7.400 2.793 2.432 3.059 . 0 0 "[ . 1 . 2]" 1
239 1 5 PHE QD 1 19 LEU QD 2.500 . 5.100 2.390 2.185 2.947 . 0 0 "[ . 1 . 2]" 1
240 1 5 PHE QE 1 19 LEU QD 4.000 . 7.400 3.906 3.591 4.345 . 0 0 "[ . 1 . 2]" 1
241 1 5 PHE HZ 1 26 LYS QD 4.000 . 7.000 6.068 5.755 6.307 . 0 0 "[ . 1 . 2]" 1
242 1 5 PHE QD 1 26 LYS QD 4.000 . 8.400 6.865 6.404 7.048 . 0 0 "[ . 1 . 2]" 1
243 1 5 PHE QE 1 26 LYS QD 4.000 . 7.400 5.772 5.132 6.063 . 0 0 "[ . 1 . 2]" 1
244 1 5 PHE HA 1 27 TRP HD1 4.000 . 6.000 4.581 4.097 5.249 . 0 0 "[ . 1 . 2]" 1
245 1 5 PHE QE 1 27 TRP HE1 4.000 . 8.400 2.490 1.880 3.349 . 0 0 "[ . 1 . 2]" 1
246 1 5 PHE HA 1 28 CYS H 4.000 . 5.000 4.395 4.053 4.747 . 0 0 "[ . 1 . 2]" 1
247 1 5 PHE HA 1 28 CYS HB2 4.000 . 6.000 3.030 2.588 3.442 . 0 0 "[ . 1 . 2]" 1
248 1 5 PHE HZ 1 29 VAL HA 4.000 . 5.000 4.101 3.664 4.314 . 0 0 "[ . 1 . 2]" 1
249 1 5 PHE HZ 1 29 VAL HB 4.000 . 6.000 4.853 3.833 6.051 0.051 10 0 "[ . 1 . 2]" 1
250 1 5 PHE HZ 1 29 VAL QG 4.000 . 7.400 3.407 2.754 3.866 . 0 0 "[ . 1 . 2]" 1
251 1 5 PHE QD 1 29 VAL HA 2.500 . 5.100 2.213 1.819 2.755 . 0 0 "[ . 1 . 2]" 1
252 1 5 PHE QD 1 29 VAL HB 4.000 . 7.400 4.512 4.076 5.104 . 0 0 "[ . 1 . 2]" 1
253 1 5 PHE QD 1 29 VAL QG 4.000 . 7.400 3.684 3.180 4.134 . 0 0 "[ . 1 . 2]" 1
254 1 5 PHE QE 1 29 VAL HA 2.500 . 5.100 1.879 1.732 2.358 0.068 5 0 "[ . 1 . 2]" 1
255 1 5 PHE QE 1 29 VAL HB 4.000 . 7.400 3.061 2.488 3.915 . 0 0 "[ . 1 . 2]" 1
256 1 5 PHE QE 1 29 VAL QG 3.000 . 5.900 2.430 1.737 3.094 0.063 14 0 "[ . 1 . 2]" 1
257 1 5 PHE HZ 1 30 LEU HG 4.000 . 5.000 5.046 4.997 5.085 0.085 14 0 "[ . 1 . 2]" 1
258 1 5 PHE QD 1 30 LEU H 4.000 . 7.400 2.911 2.106 3.864 . 0 0 "[ . 1 . 2]" 1
259 1 5 PHE QD 1 30 LEU HG 3.000 . 5.900 3.504 2.114 5.357 . 0 0 "[ . 1 . 2]" 1
260 1 5 PHE QE 1 30 LEU H 3.000 . 5.900 2.712 1.948 3.448 . 0 0 "[ . 1 . 2]" 1
261 1 5 PHE QE 1 30 LEU HG 3.000 . 5.900 3.488 2.794 4.574 . 0 0 "[ . 1 . 2]" 1
262 1 5 PHE H 1 19 LEU HG 4.000 . 6.000 5.576 5.082 6.046 0.046 12 0 "[ . 1 . 2]" 1
263 1 6 MET H 1 7 TRP H 2.500 . 2.700 2.697 2.595 2.748 0.048 12 0 "[ . 1 . 2]" 1
264 1 6 MET H 1 7 TRP HD1 4.000 . 6.000 4.810 4.409 5.093 . 0 0 "[ . 1 . 2]" 1
265 1 6 MET H 1 7 TRP HB3 4.000 . 6.000 6.003 5.895 6.070 0.070 4 0 "[ . 1 . 2]" 1
266 1 6 MET H 1 7 TRP HB2 4.000 . 6.000 4.519 4.446 4.579 . 0 0 "[ . 1 . 2]" 1
267 1 6 MET HA 1 7 TRP H 3.000 . 3.500 3.316 3.169 3.393 . 0 0 "[ . 1 . 2]" 1
268 1 6 MET HA 1 7 TRP HD1 4.000 . 6.000 4.908 4.377 5.291 . 0 0 "[ . 1 . 2]" 1
269 1 6 MET QB 1 7 TRP H 4.000 . 6.000 3.374 3.224 3.608 . 0 0 "[ . 1 . 2]" 1
270 1 6 MET QB 1 7 TRP HD1 4.000 . 6.000 3.105 2.625 3.375 . 0 0 "[ . 1 . 2]" 1
271 1 6 MET QG 1 7 TRP H 4.000 . 7.000 4.268 3.951 4.643 . 0 0 "[ . 1 . 2]" 1
272 1 6 MET H 1 19 LEU QD 4.000 . 7.400 3.813 3.611 4.033 . 0 0 "[ . 1 . 2]" 1
273 1 6 MET H 1 27 TRP HA 4.000 . 6.000 5.190 4.852 5.462 . 0 0 "[ . 1 . 2]" 1
274 1 6 MET H 1 27 TRP HD1 4.000 . 5.000 3.076 2.806 3.469 . 0 0 "[ . 1 . 2]" 1
275 1 6 MET H 1 27 TRP QB 4.000 . 6.000 2.917 2.565 3.246 . 0 0 "[ . 1 . 2]" 1
276 1 6 MET HA 1 27 TRP HA 4.000 . 6.000 4.725 4.373 5.277 . 0 0 "[ . 1 . 2]" 1
277 1 6 MET HA 1 27 TRP HD1 3.000 . 3.500 3.674 3.563 3.774 0.274 6 0 "[ . 1 . 2]" 1
278 1 6 MET HA 1 27 TRP HE1 4.000 . 5.000 4.221 3.721 4.559 . 0 0 "[ . 1 . 2]" 1
279 1 6 MET HA 1 27 TRP HE3 4.000 . 5.000 2.896 2.608 3.282 . 0 0 "[ . 1 . 2]" 1
280 1 6 MET HA 1 27 TRP QB 2.500 . 3.700 2.275 1.958 2.814 . 0 0 "[ . 1 . 2]" 1
281 1 6 MET ME 1 27 TRP HD1 4.000 . 7.000 5.483 5.193 5.764 . 0 0 "[ . 1 . 2]" 1
282 1 6 MET ME 1 27 TRP HE3 4.000 . 6.000 4.186 3.377 5.020 . 0 0 "[ . 1 . 2]" 1
283 1 6 MET ME 1 27 TRP HZ3 4.000 . 6.000 3.306 2.517 4.380 . 0 0 "[ . 1 . 2]" 1
284 1 6 MET QG 1 27 TRP HD1 4.000 . 6.000 4.709 4.358 5.203 . 0 0 "[ . 1 . 2]" 1
285 1 6 MET QG 1 27 TRP HE1 4.000 . 6.000 4.190 3.709 4.962 . 0 0 "[ . 1 . 2]" 1
286 1 6 MET QG 1 27 TRP HE3 4.000 . 7.000 3.761 2.537 5.278 . 0 0 "[ . 1 . 2]" 1
287 1 6 MET H 1 28 CYS HA 4.000 . 6.000 5.147 4.943 5.316 . 0 0 "[ . 1 . 2]" 1
288 1 6 MET H 1 28 CYS HB2 4.000 . 5.000 3.605 3.240 3.847 . 0 0 "[ . 1 . 2]" 1
289 1 6 MET H 1 28 CYS HB3 4.000 . 5.000 4.873 4.510 5.015 0.015 17 0 "[ . 1 . 2]" 1
290 1 6 MET HA 1 28 CYS H 4.000 . 5.000 4.308 4.015 4.821 . 0 0 "[ . 1 . 2]" 1
291 1 6 MET QG 1 28 CYS H 4.000 . 7.000 5.792 5.530 6.127 . 0 0 "[ . 1 . 2]" 1
292 1 6 MET H 1 29 VAL HA 4.000 . 5.000 4.047 3.521 4.252 . 0 0 "[ . 1 . 2]" 1
293 1 6 MET H 1 29 VAL QG 4.000 . 7.400 4.159 3.812 4.400 . 0 0 "[ . 1 . 2]" 1
294 1 6 MET ME 1 27 TRP HE1 4.000 . 6.000 4.199 3.762 4.604 . 0 0 "[ . 1 . 2]" 1
295 1 6 MET ME 1 27 TRP HZ2 4.000 . 7.000 2.842 2.388 3.312 . 0 0 "[ . 1 . 2]" 1
296 1 6 MET QG 1 27 TRP HZ2 4.000 . 6.000 3.978 3.600 4.742 . 0 0 "[ . 1 . 2]" 1
297 1 7 TRP H 1 8 LYS H 4.000 . 5.000 4.580 4.520 4.639 . 0 0 "[ . 1 . 2]" 1
298 1 7 TRP HA 1 8 LYS H 2.500 . 2.700 2.214 2.176 2.233 . 0 0 "[ . 1 . 2]" 1
299 1 7 TRP HD1 1 8 LYS H 4.000 . 6.000 4.831 4.664 5.154 . 0 0 "[ . 1 . 2]" 1
300 1 7 TRP HE3 1 8 LYS H 4.000 . 6.000 5.237 4.815 5.450 . 0 0 "[ . 1 . 2]" 1
301 1 7 TRP HB3 1 8 LYS H 3.000 . 3.500 3.454 3.236 3.550 0.050 14 0 "[ . 1 . 2]" 1
302 1 7 TRP HB2 1 8 LYS H 4.000 . 5.000 4.436 4.332 4.490 . 0 0 "[ . 1 . 2]" 1
303 1 7 TRP H 1 19 LEU QD 4.000 . 8.400 4.032 3.790 4.472 . 0 0 "[ . 1 . 2]" 1
304 1 7 TRP HD1 1 19 LEU QD 4.000 . 8.400 5.292 4.973 5.810 . 0 0 "[ . 1 . 2]" 1
305 1 7 TRP H 1 27 TRP HA 4.000 . 6.000 4.902 4.473 5.263 . 0 0 "[ . 1 . 2]" 1
306 1 7 TRP H 1 27 TRP QB 4.000 . 6.000 2.842 2.451 3.146 . 0 0 "[ . 1 . 2]" 1
307 1 7 TRP H 1 28 CYS H 3.000 . 3.500 3.165 2.542 3.466 . 0 0 "[ . 1 . 2]" 1
308 1 7 TRP H 1 28 CYS HA 4.000 . 6.000 5.540 5.032 5.880 . 0 0 "[ . 1 . 2]" 1
309 1 7 TRP H 1 28 CYS HB2 3.000 . 3.500 3.036 2.599 3.291 . 0 0 "[ . 1 . 2]" 1
310 1 7 TRP H 1 28 CYS HB3 4.000 . 5.000 4.765 4.360 5.013 0.013 6 0 "[ . 1 . 2]" 1
311 1 7 TRP QB 1 28 CYS H 4.000 . 6.000 3.460 3.049 3.622 . 0 0 "[ . 1 . 2]" 1
312 1 8 LYS HA 1 9 CYS H 2.500 . 2.700 2.246 2.204 2.318 . 0 0 "[ . 1 . 2]" 1
313 1 8 LYS QB 1 9 CYS H 3.000 . 4.500 3.420 3.079 3.841 . 0 0 "[ . 1 . 2]" 1
314 1 8 LYS H 1 27 TRP HA 4.000 . 5.000 5.030 4.780 5.104 0.104 14 0 "[ . 1 . 2]" 1
315 1 8 LYS HA 1 27 TRP QB 3.000 . 4.500 3.372 2.945 3.742 . 0 0 "[ . 1 . 2]" 1
316 1 8 LYS QB 1 27 TRP HA 4.000 . 7.000 5.022 4.381 5.331 . 0 0 "[ . 1 . 2]" 1
317 1 8 LYS HA 1 28 CYS H 4.000 . 5.000 4.543 4.426 4.829 . 0 0 "[ . 1 . 2]" 1
318 1 9 CYS HA 1 10 LYS H 2.500 . 2.700 2.608 2.298 2.763 0.063 6 0 "[ . 1 . 2]" 1
319 1 9 CYS HA 1 10 LYS QB 4.000 . 6.000 4.093 3.971 4.358 . 0 0 "[ . 1 . 2]" 1
320 1 9 CYS QB 1 10 LYS H 2.500 . 3.700 2.153 1.862 2.779 . 0 0 "[ . 1 . 2]" 1
321 1 9 CYS QB 1 10 LYS HA 4.000 . 7.000 4.360 4.249 4.571 . 0 0 "[ . 1 . 2]" 1
322 1 9 CYS QB 1 10 LYS QB 4.000 . 7.000 4.390 4.080 4.869 . 0 0 "[ . 1 . 2]" 1
323 1 9 CYS HA 1 11 ASN H 4.000 . 5.000 4.455 3.908 4.896 . 0 0 "[ . 1 . 2]" 1
324 1 9 CYS QB 1 11 ASN H 2.500 . 3.700 2.797 2.573 2.873 . 0 0 "[ . 1 . 2]" 1
325 1 9 CYS QB 1 12 SER H 4.000 . 7.000 3.788 3.501 4.100 . 0 0 "[ . 1 . 2]" 1
326 1 9 CYS QB 1 12 SER HA 4.000 . 6.000 4.071 3.703 4.306 . 0 0 "[ . 1 . 2]" 1
327 1 9 CYS HA 1 14 ASP H 4.000 . 6.000 4.947 4.214 5.776 . 0 0 "[ . 1 . 2]" 1
328 1 9 CYS HA 1 14 ASP QB 3.000 . 4.500 2.762 2.148 3.554 . 0 0 "[ . 1 . 2]" 1
329 1 9 CYS QB 1 14 ASP H 3.000 . 4.500 3.613 3.310 3.987 . 0 0 "[ . 1 . 2]" 1
330 1 9 CYS QB 1 14 ASP HA 4.000 . 6.000 5.031 4.536 5.375 . 0 0 "[ . 1 . 2]" 1
331 1 9 CYS QB 1 14 ASP QB 3.000 . 4.500 2.479 1.894 2.893 . 0 0 "[ . 1 . 2]" 1
332 1 9 CYS HA 1 21 CYS HB2 4.000 . 6.000 4.911 4.333 5.519 . 0 0 "[ . 1 . 2]" 1
333 1 9 CYS QB 1 21 CYS HA 4.000 . 6.000 3.564 2.549 4.726 . 0 0 "[ . 1 . 2]" 1
334 1 9 CYS QB 1 21 CYS HB3 3.000 . 4.500 3.625 3.312 3.850 . 0 0 "[ . 1 . 2]" 1
335 1 9 CYS QB 1 21 CYS HB2 3.000 . 4.500 2.309 1.839 2.919 . 0 0 "[ . 1 . 2]" 1
336 1 9 CYS QB 1 22 SER H 4.000 . 7.000 4.927 4.041 6.202 . 0 0 "[ . 1 . 2]" 1
337 1 9 CYS H 1 27 TRP H 4.000 . 6.000 5.501 5.111 5.830 . 0 0 "[ . 1 . 2]" 1
338 1 9 CYS H 1 27 TRP HA 3.000 . 3.500 3.206 2.874 3.507 0.007 7 0 "[ . 1 . 2]" 1
339 1 9 CYS H 1 27 TRP QB 4.000 . 6.000 4.493 4.081 4.831 . 0 0 "[ . 1 . 2]" 1
340 1 9 CYS QB 1 27 TRP HA 4.000 . 6.000 4.123 3.358 5.208 . 0 0 "[ . 1 . 2]" 1
341 1 9 CYS H 1 28 CYS H 4.000 . 5.000 4.688 4.272 4.965 . 0 0 "[ . 1 . 2]" 1
342 1 9 CYS QB 1 28 CYS H 4.000 . 6.000 3.827 3.220 5.392 . 0 0 "[ . 1 . 2]" 1
343 1 9 CYS QB 1 28 CYS HA 4.000 . 7.000 4.261 3.447 5.557 . 0 0 "[ . 1 . 2]" 1
344 1 10 LYS H 1 11 ASN H 2.500 . 2.700 2.033 1.811 2.466 . 0 0 "[ . 1 . 2]" 1
345 1 10 LYS HA 1 11 ASN H 3.000 . 3.500 3.525 3.479 3.574 0.074 20 0 "[ . 1 . 2]" 1
346 1 10 LYS QB 1 11 ASN H 2.500 . 3.700 3.405 3.144 3.491 . 0 0 "[ . 1 . 2]" 1
347 1 10 LYS QG 1 11 ASN H 4.000 . 7.000 1.917 1.763 2.328 0.037 20 0 "[ . 1 . 2]" 1
348 1 10 LYS QB 1 12 SER H 4.000 . 7.000 4.601 4.093 4.778 . 0 0 "[ . 1 . 2]" 1
349 1 10 LYS H 1 14 ASP H 4.000 . 5.000 4.127 3.592 4.616 . 0 0 "[ . 1 . 2]" 1
350 1 10 LYS H 1 14 ASP QB 3.000 . 4.500 3.139 2.178 3.797 . 0 0 "[ . 1 . 2]" 1
351 1 10 LYS QG 1 12 SER QB 4.000 . 6.000 4.736 4.577 4.840 . 0 0 "[ . 1 . 2]" 1
352 1 11 ASN H 1 12 SER H 4.000 . 5.000 1.972 1.840 2.109 . 0 0 "[ . 1 . 2]" 1
353 1 11 ASN HA 1 12 SER H 3.000 . 3.500 3.550 3.519 3.568 0.068 11 0 "[ . 1 . 2]" 1
354 1 11 ASN QB 1 12 SER H 2.500 . 3.700 2.625 2.403 2.938 . 0 0 "[ . 1 . 2]" 1
355 1 11 ASN QD 1 12 SER H 4.000 . 7.000 4.760 3.964 5.144 . 0 0 "[ . 1 . 2]" 1
356 1 11 ASN H 1 13 ASN H 4.000 . 6.000 3.326 2.967 3.947 . 0 0 "[ . 1 . 2]" 1
357 1 11 ASN QB 1 13 ASN H 3.000 . 4.500 3.669 3.029 4.118 . 0 0 "[ . 1 . 2]" 1
358 1 11 ASN H 1 14 ASP QB 4.000 . 6.000 4.224 3.328 4.887 . 0 0 "[ . 1 . 2]" 1
359 1 11 ASN H 1 14 ASP H 4.000 . 5.000 4.177 3.708 4.649 . 0 0 "[ . 1 . 2]" 1
360 1 11 ASN H 1 21 CYS HB3 4.000 . 6.000 3.488 2.953 3.967 . 0 0 "[ . 1 . 2]" 1
361 1 11 ASN H 1 21 CYS HB2 4.000 . 6.000 3.140 2.579 3.534 . 0 0 "[ . 1 . 2]" 1
362 1 11 ASN HA 1 21 CYS H 4.000 . 5.000 4.844 4.641 5.032 0.032 1 0 "[ . 1 . 2]" 1
363 1 11 ASN HA 1 21 CYS HB3 4.000 . 5.000 2.635 2.400 3.046 . 0 0 "[ . 1 . 2]" 1
364 1 11 ASN HA 1 21 CYS HB2 4.000 . 5.000 3.771 3.412 4.116 . 0 0 "[ . 1 . 2]" 1
365 1 12 SER H 1 13 ASN H 2.000 . 2.200 1.859 1.808 2.119 . 0 0 "[ . 1 . 2]" 1
366 1 12 SER H 1 13 ASN QB 4.000 . 7.000 3.404 3.060 3.833 . 0 0 "[ . 1 . 2]" 1
367 1 12 SER HA 1 13 ASN H 3.000 . 3.500 3.262 2.939 3.543 0.043 4 0 "[ . 1 . 2]" 1
368 1 12 SER QB 1 13 ASN H 3.000 . 4.500 3.338 2.703 3.861 . 0 0 "[ . 1 . 2]" 1
369 1 12 SER HA 1 15 CYS H 3.000 . 3.500 3.368 3.046 3.530 0.030 19 0 "[ . 1 . 2]" 1
370 1 12 SER QB 1 15 CYS H 4.000 . 6.000 4.922 4.433 5.260 . 0 0 "[ . 1 . 2]" 1
371 1 12 SER HA 1 20 VAL HB 4.000 . 5.000 4.423 3.680 4.981 . 0 0 "[ . 1 . 2]" 1
372 1 12 SER QB 1 20 VAL QG 4.000 . 7.400 3.808 3.106 4.406 . 0 0 "[ . 1 . 2]" 1
373 1 12 SER H 1 21 CYS H 4.000 . 5.000 4.409 4.111 4.729 . 0 0 "[ . 1 . 2]" 1
374 1 12 SER H 1 21 CYS HB3 4.000 . 5.000 3.848 3.567 4.198 . 0 0 "[ . 1 . 2]" 1
375 1 12 SER H 1 21 CYS HB2 4.000 . 5.000 3.461 3.096 3.862 . 0 0 "[ . 1 . 2]" 1
376 1 12 SER HA 1 21 CYS H 2.500 . 2.700 2.207 1.878 2.584 . 0 0 "[ . 1 . 2]" 1
377 1 12 SER HA 1 21 CYS HB3 3.000 . 3.500 3.429 3.289 3.516 0.016 14 0 "[ . 1 . 2]" 1
378 1 12 SER HA 1 21 CYS HB2 3.000 . 3.500 2.759 2.329 3.247 . 0 0 "[ . 1 . 2]" 1
379 1 12 SER QB 1 21 CYS H 4.000 . 6.000 3.487 2.376 4.083 . 0 0 "[ . 1 . 2]" 1
380 1 12 SER QB 1 21 CYS HB3 4.000 . 7.000 3.974 3.587 4.313 . 0 0 "[ . 1 . 2]" 1
381 1 12 SER QB 1 21 CYS HB2 4.000 . 7.000 4.253 3.590 4.912 . 0 0 "[ . 1 . 2]" 1
382 1 13 ASN H 1 14 ASP HA 4.000 . 6.000 5.088 4.774 5.375 . 0 0 "[ . 1 . 2]" 1
383 1 13 ASN H 1 14 ASP QB 4.000 . 7.000 3.999 3.525 4.797 . 0 0 "[ . 1 . 2]" 1
384 1 13 ASN HA 1 14 ASP H 3.000 . 3.500 3.330 3.208 3.469 . 0 0 "[ . 1 . 2]" 1
385 1 13 ASN QB 1 14 ASP H 4.000 . 6.000 3.379 2.962 3.851 . 0 0 "[ . 1 . 2]" 1
386 1 13 ASN H 1 14 ASP H 2.500 . 2.700 2.469 2.050 2.747 0.047 11 0 "[ . 1 . 2]" 1
387 1 13 ASN H 1 21 CYS QB 4.000 . 7.000 4.303 3.834 4.829 . 0 0 "[ . 1 . 2]" 1
388 1 15 CYS HA 1 16 CYS H 2.500 . 2.700 2.271 2.171 2.427 . 0 0 "[ . 1 . 2]" 1
389 1 15 CYS HA 1 16 CYS HB2 4.000 . 6.000 4.194 4.084 4.449 . 0 0 "[ . 1 . 2]" 1
390 1 15 CYS HB3 1 16 CYS H 3.000 . 3.500 3.094 2.582 3.510 0.010 9 0 "[ . 1 . 2]" 1
391 1 15 CYS H 1 19 LEU HG 4.000 . 6.000 6.037 5.950 6.088 0.088 11 0 "[ . 1 . 2]" 1
392 1 15 CYS H 1 19 LEU QB 4.000 . 7.000 4.969 4.574 5.340 . 0 0 "[ . 1 . 2]" 1
393 1 15 CYS HA 1 19 LEU HG 4.000 . 6.000 4.116 3.723 4.458 . 0 0 "[ . 1 . 2]" 1
394 1 15 CYS HA 1 19 LEU QB 4.000 . 6.000 3.429 2.916 3.961 . 0 0 "[ . 1 . 2]" 1
395 1 15 CYS HB3 1 19 LEU H 4.000 . 5.000 4.271 4.038 4.690 . 0 0 "[ . 1 . 2]" 1
396 1 15 CYS HB2 1 19 LEU H 4.000 . 5.000 4.664 4.267 4.989 . 0 0 "[ . 1 . 2]" 1
397 1 15 CYS HB3 1 19 LEU HG 2.500 . 2.700 2.637 2.510 2.720 0.020 14 0 "[ . 1 . 2]" 1
398 1 15 CYS HB3 1 19 LEU QB 2.500 . 3.700 2.098 1.860 2.363 . 0 0 "[ . 1 . 2]" 1
399 1 15 CYS HB3 1 19 LEU QD 4.000 . 7.400 2.796 2.407 3.068 . 0 0 "[ . 1 . 2]" 1
400 1 15 CYS H 1 20 VAL HA 4.000 . 6.000 4.603 4.027 5.040 . 0 0 "[ . 1 . 2]" 1
401 1 15 CYS HB3 1 20 VAL H 4.000 . 6.000 3.489 3.187 3.850 . 0 0 "[ . 1 . 2]" 1
402 1 15 CYS HB2 1 20 VAL HA 4.000 . 6.000 2.656 2.136 3.028 . 0 0 "[ . 1 . 2]" 1
403 1 15 CYS H 1 21 CYS H 4.000 . 6.000 4.616 4.298 4.953 . 0 0 "[ . 1 . 2]" 1
404 1 15 CYS H 1 21 CYS HB3 4.000 . 6.000 6.020 5.756 6.060 0.060 16 0 "[ . 1 . 2]" 1
405 1 15 CYS H 1 21 CYS HB2 4.000 . 6.000 4.517 4.342 4.679 . 0 0 "[ . 1 . 2]" 1
406 1 15 CYS HB2 1 21 CYS H 4.000 . 6.000 3.684 3.434 3.947 . 0 0 "[ . 1 . 2]" 1
407 1 15 CYS HB3 1 28 CYS H 4.000 . 6.000 5.495 5.289 5.672 . 0 0 "[ . 1 . 2]" 1
408 1 15 CYS HB3 1 28 CYS HA 4.000 . 6.000 3.724 3.622 3.889 . 0 0 "[ . 1 . 2]" 1
409 1 16 CYS H 1 17 LYS H 4.000 . 5.000 4.648 4.547 4.688 . 0 0 "[ . 1 . 2]" 1
410 1 16 CYS HA 1 17 LYS H 2.500 . 2.700 2.496 2.439 2.567 . 0 0 "[ . 1 . 2]" 1
411 1 16 CYS HA 1 17 LYS HA 4.000 . 6.000 4.398 4.384 4.409 . 0 0 "[ . 1 . 2]" 1
412 1 16 CYS HA 1 17 LYS HB2 4.000 . 6.000 4.661 4.493 4.840 . 0 0 "[ . 1 . 2]" 1
413 1 16 CYS HA 1 17 LYS HB3 4.000 . 6.000 5.038 4.768 5.226 . 0 0 "[ . 1 . 2]" 1
414 1 16 CYS HB3 1 17 LYS H 2.500 . 2.700 2.602 2.362 2.721 0.021 6 0 "[ . 1 . 2]" 1
415 1 16 CYS HB2 1 17 LYS H 4.000 . 5.000 3.949 3.713 4.047 . 0 0 "[ . 1 . 2]" 1
416 1 16 CYS HB3 1 17 LYS HB2 4.000 . 6.000 4.653 4.425 4.960 . 0 0 "[ . 1 . 2]" 1
417 1 16 CYS HB3 1 18 ASP H 4.000 . 6.000 5.953 5.877 6.096 0.096 15 0 "[ . 1 . 2]" 1
418 1 16 CYS H 1 19 LEU HG 4.000 . 5.000 3.944 3.600 4.118 . 0 0 "[ . 1 . 2]" 1
419 1 16 CYS H 1 19 LEU QB 4.000 . 6.000 2.442 2.047 2.777 . 0 0 "[ . 1 . 2]" 1
420 1 16 CYS H 1 19 LEU QD 3.000 . 5.900 1.930 1.807 2.209 . 0 0 "[ . 1 . 2]" 1
421 1 16 CYS HA 1 19 LEU QD 4.000 . 8.400 4.158 3.887 4.477 . 0 0 "[ . 1 . 2]" 1
422 1 16 CYS HB3 1 19 LEU HG 4.000 . 6.000 5.848 5.577 6.034 0.034 11 0 "[ . 1 . 2]" 1
423 1 16 CYS HB2 1 19 LEU HG 4.000 . 6.000 4.788 4.377 5.439 . 0 0 "[ . 1 . 2]" 1
424 1 16 CYS HB3 1 19 LEU QD 4.000 . 7.400 3.295 3.035 3.532 . 0 0 "[ . 1 . 2]" 1
425 1 16 CYS HB2 1 19 LEU QD 4.000 . 7.400 2.183 1.827 2.810 . 0 0 "[ . 1 . 2]" 1
426 1 16 CYS H 1 20 VAL QG 4.000 . 8.400 5.948 5.411 6.225 . 0 0 "[ . 1 . 2]" 1
427 1 16 CYS H 1 28 CYS HB3 3.000 . 3.500 3.566 3.508 3.621 0.121 8 0 "[ . 1 . 2]" 1
428 1 16 CYS H 1 19 LEU H 4.000 . 6.000 5.029 4.714 5.405 . 0 0 "[ . 1 . 2]" 1
429 1 17 LYS H 1 18 ASP H 4.000 . 5.000 4.685 4.670 4.701 . 0 0 "[ . 1 . 2]" 1
430 1 17 LYS HA 1 18 ASP H 2.500 . 2.700 2.323 2.281 2.360 . 0 0 "[ . 1 . 2]" 1
431 1 17 LYS HA 1 18 ASP HA 4.000 . 5.000 4.572 4.548 4.589 . 0 0 "[ . 1 . 2]" 1
432 1 17 LYS HB2 1 18 ASP H 4.000 . 5.000 4.150 4.026 4.291 . 0 0 "[ . 1 . 2]" 1
433 1 17 LYS HB3 1 18 ASP H 4.000 . 5.000 3.891 3.694 4.114 . 0 0 "[ . 1 . 2]" 1
434 1 17 LYS QG 1 18 ASP H 3.000 . 4.500 2.165 1.906 2.565 . 0 0 "[ . 1 . 2]" 1
435 1 17 LYS H 1 19 LEU QD 4.000 . 7.400 4.919 4.719 5.191 . 0 0 "[ . 1 . 2]" 1
436 1 17 LYS HA 1 19 LEU H 4.000 . 5.000 3.295 3.167 3.396 . 0 0 "[ . 1 . 2]" 1
437 1 18 ASP H 1 19 LEU QB 4.000 . 7.000 4.569 4.502 4.621 . 0 0 "[ . 1 . 2]" 1
438 1 18 ASP H 1 19 LEU QD 4.000 . 7.400 5.477 5.360 5.576 . 0 0 "[ . 1 . 2]" 1
439 1 18 ASP HA 1 19 LEU H 3.000 . 3.500 3.117 3.008 3.220 . 0 0 "[ . 1 . 2]" 1
440 1 18 ASP HB3 1 19 LEU H 4.000 . 6.000 4.295 4.113 4.511 . 0 0 "[ . 1 . 2]" 1
441 1 18 ASP H 1 31 ALA MB 4.000 . 6.000 4.442 3.639 4.882 . 0 0 "[ . 1 . 2]" 1
442 1 18 ASP H 1 19 LEU H 2.500 . 2.700 2.700 2.650 2.730 0.030 4 0 "[ . 1 . 2]" 1
443 1 19 LEU H 1 20 VAL H 4.000 . 5.000 4.410 4.307 4.523 . 0 0 "[ . 1 . 2]" 1
444 1 19 LEU HA 1 20 VAL H 2.500 . 2.700 2.262 2.237 2.302 . 0 0 "[ . 1 . 2]" 1
445 1 19 LEU HA 1 20 VAL QG 4.000 . 7.400 3.061 2.959 3.165 . 0 0 "[ . 1 . 2]" 1
446 1 19 LEU HG 1 20 VAL H 2.500 . 2.700 2.647 2.532 2.734 0.034 5 0 "[ . 1 . 2]" 1
447 1 19 LEU HG 1 20 VAL HA 4.000 . 6.000 4.413 4.207 4.596 . 0 0 "[ . 1 . 2]" 1
448 1 19 LEU QD 1 20 VAL H 3.000 . 5.900 3.000 2.549 3.231 . 0 0 "[ . 1 . 2]" 1
449 1 19 LEU HG 1 28 CYS H 4.000 . 5.000 5.018 4.925 5.100 0.100 11 0 "[ . 1 . 2]" 1
450 1 19 LEU HG 1 28 CYS HB2 4.000 . 5.000 3.359 3.224 3.495 . 0 0 "[ . 1 . 2]" 1
451 1 19 LEU HG 1 28 CYS HB3 2.500 . 3.700 1.895 1.810 2.063 . 0 0 "[ . 1 . 2]" 1
452 1 19 LEU QB 1 28 CYS HB2 4.000 . 7.000 4.582 4.281 4.730 . 0 0 "[ . 1 . 2]" 1
453 1 19 LEU QB 1 28 CYS HB3 3.000 . 4.500 3.178 2.899 3.345 . 0 0 "[ . 1 . 2]" 1
454 1 19 LEU QD 1 28 CYS H 4.000 . 8.400 4.141 3.916 4.476 . 0 0 "[ . 1 . 2]" 1
455 1 19 LEU QD 1 28 CYS HB2 4.000 . 7.400 2.352 2.095 2.651 . 0 0 "[ . 1 . 2]" 1
456 1 19 LEU HG 1 29 VAL H 4.000 . 5.000 3.293 2.758 4.203 . 0 0 "[ . 1 . 2]" 1
457 1 19 LEU HG 1 29 VAL HA 4.000 . 6.000 4.156 3.825 4.475 . 0 0 "[ . 1 . 2]" 1
458 1 19 LEU QD 1 29 VAL H 3.000 . 5.900 3.506 3.160 4.064 . 0 0 "[ . 1 . 2]" 1
459 1 19 LEU QD 1 29 VAL HA 3.000 . 5.900 2.849 2.494 3.229 . 0 0 "[ . 1 . 2]" 1
460 1 19 LEU HA 1 30 LEU HA 4.000 . 6.000 3.031 2.270 3.343 . 0 0 "[ . 1 . 2]" 1
461 1 19 LEU QB 1 30 LEU HA 4.000 . 7.000 4.074 3.738 4.389 . 0 0 "[ . 1 . 2]" 1
462 1 19 LEU QD 1 30 LEU HA 2.500 . 5.100 1.801 1.644 2.044 0.156 2 0 "[ . 1 . 2]" 1
463 1 19 LEU HA 1 31 ALA H 2.500 . 2.700 2.179 1.810 2.610 . 0 0 "[ . 1 . 2]" 1
464 1 19 LEU HA 1 31 ALA MB 4.000 . 6.000 2.886 2.183 3.735 . 0 0 "[ . 1 . 2]" 1
465 1 19 LEU HG 1 31 ALA H 4.000 . 5.000 4.417 3.863 5.020 0.020 11 0 "[ . 1 . 2]" 1
466 1 19 LEU QB 1 31 ALA H 4.000 . 7.000 4.116 3.663 4.600 . 0 0 "[ . 1 . 2]" 1
467 1 19 LEU QD 1 31 ALA H 3.000 . 5.900 2.561 2.150 3.175 . 0 0 "[ . 1 . 2]" 1
468 1 19 LEU QD 1 32 SER H 4.000 . 7.400 4.833 4.733 4.936 . 0 0 "[ . 1 . 2]" 1
469 1 19 LEU HG 1 30 LEU H 4.000 . 5.000 4.936 4.623 5.048 0.048 19 0 "[ . 1 . 2]" 1
470 1 20 VAL HA 1 21 CYS H 2.500 . 2.700 2.275 2.222 2.363 . 0 0 "[ . 1 . 2]" 1
471 1 20 VAL HA 1 21 CYS HB3 4.000 . 6.000 4.817 4.585 5.130 . 0 0 "[ . 1 . 2]" 1
472 1 20 VAL HA 1 21 CYS HB2 4.000 . 6.000 4.375 4.162 4.541 . 0 0 "[ . 1 . 2]" 1
473 1 20 VAL HB 1 21 CYS H 3.000 . 3.500 3.062 2.783 3.296 . 0 0 "[ . 1 . 2]" 1
474 1 20 VAL HB 1 21 CYS HA 4.000 . 6.000 5.060 4.943 5.304 . 0 0 "[ . 1 . 2]" 1
475 1 20 VAL QG 1 21 CYS H 3.000 . 5.900 3.456 3.346 3.534 . 0 0 "[ . 1 . 2]" 1
476 1 20 VAL QG 1 21 CYS HA 4.000 . 8.400 4.367 4.124 4.495 . 0 0 "[ . 1 . 2]" 1
477 1 20 VAL QG 1 22 SER H 4.000 . 7.400 4.941 4.412 5.220 . 0 0 "[ . 1 . 2]" 1
478 1 20 VAL H 1 28 CYS HB2 4.000 . 6.000 5.417 5.197 5.716 . 0 0 "[ . 1 . 2]" 1
479 1 20 VAL H 1 28 CYS HB3 4.000 . 5.000 3.893 3.686 4.201 . 0 0 "[ . 1 . 2]" 1
480 1 20 VAL H 1 29 VAL H 3.000 . 3.500 2.738 2.161 3.422 . 0 0 "[ . 1 . 2]" 1
481 1 20 VAL H 1 29 VAL QG 3.000 . 5.900 2.826 2.421 4.074 . 0 0 "[ . 1 . 2]" 1
482 1 20 VAL HA 1 29 VAL H 4.000 . 6.000 4.564 4.090 4.953 . 0 0 "[ . 1 . 2]" 1
483 1 20 VAL HB 1 29 VAL H 4.000 . 5.000 4.987 4.782 5.041 0.041 18 0 "[ . 1 . 2]" 1
484 1 20 VAL QG 1 29 VAL H 4.000 . 7.400 3.010 2.809 3.332 . 0 0 "[ . 1 . 2]" 1
485 1 20 VAL H 1 30 LEU HA 4.000 . 5.000 4.483 3.787 4.779 . 0 0 "[ . 1 . 2]" 1
486 1 20 VAL QG 1 30 LEU H 4.000 . 7.400 4.966 4.708 5.238 . 0 0 "[ . 1 . 2]" 1
487 1 20 VAL QG 1 30 LEU HA 4.000 . 7.400 4.601 3.996 4.971 . 0 0 "[ . 1 . 2]" 1
488 1 20 VAL H 1 31 ALA H 4.000 . 5.000 3.378 2.478 3.978 . 0 0 "[ . 1 . 2]" 1
489 1 20 VAL H 1 31 ALA MB 4.000 . 6.000 3.444 2.416 4.640 . 0 0 "[ . 1 . 2]" 1
490 1 20 VAL QG 1 31 ALA H 4.000 . 7.400 3.193 2.412 3.777 . 0 0 "[ . 1 . 2]" 1
491 1 20 VAL QG 1 31 ALA HA 2.500 . 5.100 2.654 1.830 3.559 . 0 0 "[ . 1 . 2]" 1
492 1 20 VAL QG 1 31 ALA MB 3.000 . 5.900 2.156 1.581 3.049 0.219 8 0 "[ . 1 . 2]" 1
493 1 20 VAL QG 1 32 SER H 4.000 . 7.400 4.264 2.339 5.329 . 0 0 "[ . 1 . 2]" 1
494 1 20 VAL HB 1 29 VAL QG 4.000 . 8.400 4.118 3.780 5.528 . 0 0 "[ . 1 . 2]" 1
495 1 21 CYS H 1 22 SER H 4.000 . 5.000 4.685 4.621 4.739 . 0 0 "[ . 1 . 2]" 1
496 1 21 CYS HA 1 22 SER H 2.500 . 2.700 2.306 2.241 2.380 . 0 0 "[ . 1 . 2]" 1
497 1 21 CYS HA 1 22 SER QB 4.000 . 6.000 3.950 3.759 4.483 . 0 0 "[ . 1 . 2]" 1
498 1 21 CYS HB3 1 22 SER H 4.000 . 5.000 3.939 3.582 4.122 . 0 0 "[ . 1 . 2]" 1
499 1 21 CYS HB2 1 22 SER H 4.000 . 5.000 4.268 4.060 4.490 . 0 0 "[ . 1 . 2]" 1
500 1 21 CYS H 1 28 CYS HA 4.000 . 6.000 3.706 3.389 4.039 . 0 0 "[ . 1 . 2]" 1
501 1 21 CYS HA 1 28 CYS H 4.000 . 5.000 3.736 3.440 4.101 . 0 0 "[ . 1 . 2]" 1
502 1 21 CYS HB2 1 28 CYS HA 4.000 . 6.000 4.040 3.579 4.505 . 0 0 "[ . 1 . 2]" 1
503 1 21 CYS H 1 29 VAL QG 4.000 . 8.400 4.626 4.379 5.441 . 0 0 "[ . 1 . 2]" 1
504 1 21 CYS HA 1 29 VAL H 4.000 . 7.000 3.522 3.002 3.911 . 0 0 "[ . 1 . 2]" 1
505 1 21 CYS HA 1 29 VAL QG 4.000 . 7.400 3.702 3.280 3.998 . 0 0 "[ . 1 . 2]" 1
506 1 22 SER H 1 23 SER H 4.000 . 5.000 4.187 4.017 4.401 . 0 0 "[ . 1 . 2]" 1
507 1 22 SER H 1 23 SER HA 4.000 . 6.000 4.738 4.646 4.963 . 0 0 "[ . 1 . 2]" 1
508 1 22 SER HA 1 23 SER H 2.500 . 2.700 2.198 2.184 2.231 . 0 0 "[ . 1 . 2]" 1
509 1 22 SER QB 1 23 SER H 4.000 . 6.000 3.630 3.198 3.870 . 0 0 "[ . 1 . 2]" 1
510 1 22 SER HA 1 24 ARG H 4.000 . 5.000 3.564 3.387 3.740 . 0 0 "[ . 1 . 2]" 1
511 1 22 SER QB 1 24 ARG H 4.000 . 7.000 3.092 2.608 3.845 . 0 0 "[ . 1 . 2]" 1
512 1 22 SER H 1 25 TRP H 4.000 . 6.000 4.648 4.363 4.917 . 0 0 "[ . 1 . 2]" 1
513 1 22 SER HA 1 25 TRP HD1 4.000 . 6.000 4.339 4.109 4.598 . 0 0 "[ . 1 . 2]" 1
514 1 22 SER QB 1 25 TRP HD1 4.000 . 6.000 1.972 1.749 2.412 0.051 9 0 "[ . 1 . 2]" 1
515 1 22 SER QB 1 25 TRP QB 4.000 . 7.000 1.981 1.802 2.339 . 0 0 "[ . 1 . 2]" 1
516 1 22 SER H 1 26 LYS H 4.000 . 5.000 4.423 4.266 4.563 . 0 0 "[ . 1 . 2]" 1
517 1 22 SER H 1 26 LYS QG 4.000 . 7.000 6.063 5.823 6.210 . 0 0 "[ . 1 . 2]" 1
518 1 22 SER HA 1 26 LYS H 4.000 . 5.000 5.028 4.894 5.136 0.136 11 0 "[ . 1 . 2]" 1
519 1 22 SER H 1 27 TRP H 2.500 . 2.700 2.674 2.460 2.798 0.098 1 0 "[ . 1 . 2]" 1
520 1 22 SER H 1 27 TRP HA 4.000 . 6.000 3.784 3.532 3.996 . 0 0 "[ . 1 . 2]" 1
521 1 22 SER QB 1 27 TRP HD1 4.000 . 7.000 3.928 3.397 4.400 . 0 0 "[ . 1 . 2]" 1
522 1 22 SER QB 1 27 TRP HE1 4.000 . 7.000 4.746 4.305 5.092 . 0 0 "[ . 1 . 2]" 1
523 1 22 SER H 1 28 CYS H 4.000 . 6.000 4.584 4.409 4.799 . 0 0 "[ . 1 . 2]" 1
524 1 22 SER H 1 28 CYS HA 4.000 . 5.000 3.637 3.331 3.931 . 0 0 "[ . 1 . 2]" 1
525 1 22 SER H 1 29 VAL H 4.000 . 5.000 4.169 3.521 4.671 . 0 0 "[ . 1 . 2]" 1
526 1 22 SER H 1 29 VAL QG 3.000 . 5.900 3.285 2.895 3.506 . 0 0 "[ . 1 . 2]" 1
527 1 22 SER QB 1 29 VAL QG 4.000 . 6.000 1.760 1.547 2.311 0.253 7 0 "[ . 1 . 2]" 1
528 1 22 SER QB 1 26 LYS H 3.000 . 4.500 3.441 3.131 3.904 . 0 0 "[ . 1 . 2]" 1
529 1 22 SER H 1 26 LYS QB 4.000 . 7.000 6.075 5.755 6.263 . 0 0 "[ . 1 . 2]" 1
530 1 22 SER H 1 27 TRP HD1 4.000 . 5.000 4.334 4.003 4.553 . 0 0 "[ . 1 . 2]" 1
531 1 23 SER H 1 24 ARG H 2.500 . 2.700 2.575 2.521 2.643 . 0 0 "[ . 1 . 2]" 1
532 1 23 SER H 1 24 ARG HB3 4.000 . 6.000 5.083 4.677 5.284 . 0 0 "[ . 1 . 2]" 1
533 1 23 SER H 1 24 ARG HB2 4.000 . 6.000 4.506 4.292 4.741 . 0 0 "[ . 1 . 2]" 1
534 1 23 SER HA 1 24 ARG H 3.000 . 3.500 3.472 3.437 3.491 . 0 0 "[ . 1 . 2]" 1
535 1 23 SER H 1 25 TRP H 4.000 . 6.000 4.302 4.031 4.540 . 0 0 "[ . 1 . 2]" 1
536 1 23 SER H 1 26 LYS H 4.000 . 6.000 4.542 4.473 4.636 . 0 0 "[ . 1 . 2]" 1
537 1 23 SER HA 1 26 LYS H 4.000 . 6.000 3.330 3.171 3.502 . 0 0 "[ . 1 . 2]" 1
538 1 23 SER H 1 27 TRP H 4.000 . 6.000 5.325 5.234 5.390 . 0 0 "[ . 1 . 2]" 1
539 1 24 ARG H 1 25 TRP H 2.500 . 2.700 2.443 2.343 2.529 . 0 0 "[ . 1 . 2]" 1
540 1 24 ARG H 1 25 TRP QB 4.000 . 6.000 4.437 4.340 4.542 . 0 0 "[ . 1 . 2]" 1
541 1 24 ARG HA 1 25 TRP H 3.000 . 3.500 3.545 3.508 3.558 0.058 8 0 "[ . 1 . 2]" 1
542 1 24 ARG HE 1 25 TRP HE1 4.000 . 6.000 3.808 2.796 5.587 . 0 0 "[ . 1 . 2]" 1
543 1 24 ARG HE 1 25 TRP HZ2 4.000 . 5.000 3.563 2.798 4.897 . 0 0 "[ . 1 . 2]" 1
544 1 24 ARG HB3 1 25 TRP H 4.000 . 5.000 2.441 2.133 2.806 . 0 0 "[ . 1 . 2]" 1
545 1 24 ARG HB2 1 25 TRP H 3.000 . 3.500 3.504 3.376 3.594 0.094 2 0 "[ . 1 . 2]" 1
546 1 24 ARG HB3 1 25 TRP HD1 4.000 . 5.000 3.132 2.320 3.420 . 0 0 "[ . 1 . 2]" 1
547 1 24 ARG HB2 1 25 TRP HD1 4.000 . 5.000 4.466 3.840 5.004 0.004 2 0 "[ . 1 . 2]" 1
548 1 24 ARG HB3 1 25 TRP HE1 4.000 . 6.000 3.658 3.221 4.093 . 0 0 "[ . 1 . 2]" 1
549 1 24 ARG HB2 1 25 TRP HE1 4.000 . 6.000 4.996 4.514 5.524 . 0 0 "[ . 1 . 2]" 1
550 1 24 ARG QG 1 25 TRP H 4.000 . 6.000 4.062 3.252 4.506 . 0 0 "[ . 1 . 2]" 1
551 1 24 ARG QG 1 25 TRP HA 4.000 . 7.000 4.608 3.689 5.416 . 0 0 "[ . 1 . 2]" 1
552 1 24 ARG QG 1 25 TRP HD1 4.000 . 6.000 5.036 4.177 5.414 . 0 0 "[ . 1 . 2]" 1
553 1 24 ARG QG 1 25 TRP HE1 4.000 . 7.000 4.819 3.693 5.436 . 0 0 "[ . 1 . 2]" 1
554 1 24 ARG QG 1 25 TRP HE3 4.000 . 7.000 5.793 4.313 6.264 . 0 0 "[ . 1 . 2]" 1
555 1 24 ARG QD 1 25 TRP H 4.000 . 7.000 4.167 2.965 5.168 . 0 0 "[ . 1 . 2]" 1
556 1 24 ARG QD 1 25 TRP HD1 4.000 . 7.000 4.371 3.552 5.694 . 0 0 "[ . 1 . 2]" 1
557 1 24 ARG QD 1 25 TRP HE1 4.000 . 6.000 3.725 2.419 5.031 . 0 0 "[ . 1 . 2]" 1
558 1 24 ARG QH 1 25 TRP HZ2 4.000 . 7.000 3.524 2.038 4.874 . 0 0 "[ . 1 . 2]" 1
559 1 24 ARG QH 1 25 TRP HH2 4.000 . 7.000 3.987 2.618 5.084 . 0 0 "[ . 1 . 2]" 1
560 1 24 ARG H 1 26 LYS H 4.000 . 5.000 3.422 3.315 3.520 . 0 0 "[ . 1 . 2]" 1
561 1 24 ARG H 1 26 LYS QG 4.000 . 8.400 6.607 5.190 7.139 . 0 0 "[ . 1 . 2]" 1
562 1 24 ARG HB2 1 26 LYS H 4.000 . 6.000 5.081 4.983 5.181 . 0 0 "[ . 1 . 2]" 1
563 1 24 ARG HE 1 25 TRP HE3 4.000 . 6.000 5.301 4.175 5.975 . 0 0 "[ . 1 . 2]" 1
564 1 25 TRP H 1 26 LYS H 2.500 . 2.700 2.349 2.200 2.477 . 0 0 "[ . 1 . 2]" 1
565 1 25 TRP H 1 26 LYS HA 4.000 . 5.000 4.624 4.374 4.797 . 0 0 "[ . 1 . 2]" 1
566 1 25 TRP HA 1 26 LYS H 3.000 . 3.500 3.350 3.220 3.426 . 0 0 "[ . 1 . 2]" 1
567 1 25 TRP HD1 1 26 LYS H 4.000 . 5.000 4.843 4.477 5.038 0.038 4 0 "[ . 1 . 2]" 1
568 1 25 TRP QB 1 26 LYS H 4.000 . 7.000 3.196 3.004 3.445 . 0 0 "[ . 1 . 2]" 1
569 1 25 TRP HE3 1 27 TRP HH2 4.000 . 5.000 4.775 4.212 5.072 0.072 4 0 "[ . 1 . 2]" 1
570 1 25 TRP QB 1 27 TRP H 4.000 . 7.000 2.890 2.777 3.017 . 0 0 "[ . 1 . 2]" 1
571 1 25 TRP QB 1 27 TRP HE3 4.000 . 6.000 5.341 5.209 5.468 . 0 0 "[ . 1 . 2]" 1
572 1 25 TRP QB 1 27 TRP HZ3 4.000 . 7.000 6.006 5.766 6.249 . 0 0 "[ . 1 . 2]" 1
573 1 25 TRP H 1 29 VAL QG 4.000 . 8.400 3.372 3.189 3.554 . 0 0 "[ . 1 . 2]" 1
574 1 25 TRP QB 1 27 TRP HE1 4.000 . 6.000 1.951 1.790 2.205 0.010 4 0 "[ . 1 . 2]" 1
575 1 26 LYS H 1 27 TRP H 2.500 . 2.700 2.773 2.646 2.957 0.257 11 0 "[ . 1 . 2]" 1
576 1 26 LYS H 1 27 TRP HA 4.000 . 6.000 5.364 5.245 5.538 . 0 0 "[ . 1 . 2]" 1
577 1 26 LYS HA 1 27 TRP H 3.000 . 3.500 2.991 2.802 3.100 . 0 0 "[ . 1 . 2]" 1
578 1 26 LYS QB 1 27 TRP H 4.000 . 6.000 4.016 3.854 4.049 . 0 0 "[ . 1 . 2]" 1
579 1 26 LYS QG 1 27 TRP H 4.000 . 6.000 3.694 3.460 4.148 . 0 0 "[ . 1 . 2]" 1
580 1 26 LYS QG 1 27 TRP HE1 4.000 . 6.000 5.096 4.946 5.418 . 0 0 "[ . 1 . 2]" 1
581 1 26 LYS QD 1 27 TRP HD1 4.000 . 7.000 5.279 4.435 5.708 . 0 0 "[ . 1 . 2]" 1
582 1 26 LYS QD 1 27 TRP HE1 4.000 . 7.000 4.784 3.938 5.112 . 0 0 "[ . 1 . 2]" 1
583 1 27 TRP H 1 28 CYS H 4.000 . 5.000 4.405 4.384 4.422 . 0 0 "[ . 1 . 2]" 1
584 1 27 TRP HA 1 28 CYS H 3.000 . 3.500 2.577 2.499 2.726 . 0 0 "[ . 1 . 2]" 1
585 1 27 TRP HA 1 28 CYS HB2 4.000 . 6.000 4.849 4.748 4.942 . 0 0 "[ . 1 . 2]" 1
586 1 27 TRP HD1 1 28 CYS H 4.000 . 5.000 3.384 2.988 3.570 . 0 0 "[ . 1 . 2]" 1
587 1 27 TRP HD1 1 28 CYS HA 4.000 . 5.000 3.873 3.612 4.133 . 0 0 "[ . 1 . 2]" 1
588 1 27 TRP HE3 1 28 CYS H 4.000 . 6.000 5.892 5.682 6.015 0.015 14 0 "[ . 1 . 2]" 1
589 1 27 TRP QB 1 28 CYS H 2.500 . 3.700 2.229 1.987 2.372 . 0 0 "[ . 1 . 2]" 1
590 1 27 TRP QB 1 28 CYS HB2 4.000 . 7.000 3.872 3.733 4.046 . 0 0 "[ . 1 . 2]" 1
591 1 27 TRP H 1 29 VAL H 4.000 . 6.000 5.292 4.512 5.807 . 0 0 "[ . 1 . 2]" 1
592 1 27 TRP H 1 29 VAL QG 4.000 . 7.400 3.387 3.120 3.651 . 0 0 "[ . 1 . 2]" 1
593 1 27 TRP HD1 1 29 VAL HA 4.000 . 5.000 3.242 2.935 3.622 . 0 0 "[ . 1 . 2]" 1
594 1 27 TRP HD1 1 29 VAL HB 4.000 . 5.000 4.599 4.275 4.917 . 0 0 "[ . 1 . 2]" 1
595 1 27 TRP HD1 1 29 VAL QG 2.500 . 5.100 1.962 1.805 2.164 . 0 0 "[ . 1 . 2]" 1
596 1 27 TRP HE1 1 29 VAL HA 4.000 . 6.000 3.550 3.146 4.335 . 0 0 "[ . 1 . 2]" 1
597 1 27 TRP HE1 1 29 VAL HB 4.000 . 6.000 4.327 3.660 5.200 . 0 0 "[ . 1 . 2]" 1
598 1 27 TRP HE1 1 29 VAL QG 2.500 . 5.100 2.153 1.842 2.708 . 0 0 "[ . 1 . 2]" 1
599 1 28 CYS H 1 29 VAL QG 4.000 . 8.400 4.282 4.098 4.510 . 0 0 "[ . 1 . 2]" 1
600 1 28 CYS HA 1 29 VAL H 2.500 . 2.700 2.245 2.198 2.338 . 0 0 "[ . 1 . 2]" 1
601 1 28 CYS HA 1 29 VAL QG 4.000 . 7.400 3.223 2.941 3.373 . 0 0 "[ . 1 . 2]" 1
602 1 28 CYS HB2 1 29 VAL H 4.000 . 5.000 4.405 4.227 4.560 . 0 0 "[ . 1 . 2]" 1
603 1 28 CYS HB3 1 29 VAL H 4.000 . 5.000 3.670 3.300 4.127 . 0 0 "[ . 1 . 2]" 1
604 1 29 VAL H 1 30 LEU H 4.000 . 6.000 4.565 4.450 4.638 . 0 0 "[ . 1 . 2]" 1
605 1 29 VAL H 1 30 LEU HA 4.000 . 6.000 5.449 5.209 5.662 . 0 0 "[ . 1 . 2]" 1
606 1 29 VAL HA 1 30 LEU H 2.500 . 2.700 2.327 2.197 2.472 . 0 0 "[ . 1 . 2]" 1
607 1 29 VAL HA 1 30 LEU QB 4.000 . 6.000 4.558 4.427 4.732 . 0 0 "[ . 1 . 2]" 1
608 1 29 VAL HB 1 30 LEU H 3.000 . 3.500 2.868 2.468 3.531 0.031 14 0 "[ . 1 . 2]" 1
609 1 29 VAL HB 1 30 LEU HA 4.000 . 5.000 5.014 4.821 5.161 0.161 17 0 "[ . 1 . 2]" 1
610 1 29 VAL HB 1 30 LEU QB 4.000 . 7.000 4.575 4.066 5.395 . 0 0 "[ . 1 . 2]" 1
611 1 29 VAL QG 1 30 LEU H 3.000 . 5.900 3.196 1.870 3.482 . 0 0 "[ . 1 . 2]" 1
612 1 29 VAL QG 1 30 LEU HA 4.000 . 7.400 4.350 3.979 4.565 . 0 0 "[ . 1 . 2]" 1
613 1 30 LEU H 1 31 ALA MB 4.000 . 7.000 5.394 5.031 5.811 . 0 0 "[ . 1 . 2]" 1
614 1 30 LEU HA 1 31 ALA H 2.500 . 2.700 2.363 2.208 2.782 0.082 2 0 "[ . 1 . 2]" 1
615 1 30 LEU HA 1 31 ALA MB 4.000 . 6.000 3.891 3.580 4.092 . 0 0 "[ . 1 . 2]" 1
616 1 30 LEU HG 1 31 ALA H 4.000 . 5.000 4.808 4.353 5.090 0.090 1 0 "[ . 1 . 2]" 1
617 1 30 LEU HG 1 32 SER H 4.000 . 6.000 5.121 3.674 5.950 . 0 0 "[ . 1 . 2]" 1
618 1 30 LEU QB 1 31 ALA H 3.000 . 4.500 3.684 3.194 3.968 . 0 0 "[ . 1 . 2]" 1
619 1 30 LEU QB 1 32 SER H 4.000 . 6.000 3.559 2.822 5.182 . 0 0 "[ . 1 . 2]" 1
620 1 31 ALA HA 1 32 SER H 2.500 . 2.700 2.752 2.621 2.844 0.144 6 0 "[ . 1 . 2]" 1
621 1 31 ALA MB 1 32 SER H 3.000 . 4.500 3.696 3.636 3.743 . 0 0 "[ . 1 . 2]" 1
622 1 32 SER H 1 33 PRO QD 4.000 . 6.000 3.491 1.848 4.364 . 0 0 "[ . 1 . 2]" 1
623 1 32 SER HA 1 33 PRO QD 3.000 . 4.500 2.388 1.900 3.475 . 0 0 "[ . 1 . 2]" 1
624 1 32 SER H 1 34 PHE H 4.000 . 6.000 5.350 4.479 6.008 0.008 3 0 "[ . 1 . 2]" 1
625 1 32 SER QB 1 34 PHE H 4.000 . 6.000 4.458 2.933 5.350 . 0 0 "[ . 1 . 2]" 1
626 1 33 PRO HA 1 34 PHE H 2.500 . 2.700 2.482 2.211 2.739 0.039 2 0 "[ . 1 . 2]" 1
627 1 33 PRO QB 1 34 PHE H 4.000 . 7.000 3.894 3.467 4.021 . 0 0 "[ . 1 . 2]" 1
628 1 33 PRO QD 1 34 PHE H 4.000 . 6.000 4.381 3.898 4.928 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 9
_Distance_constraint_stats_list.Viol_count 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 2 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 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 2 CYS SG 1 16 CYS SG 2.020 . 2.040 2.018 2.016 2.020 . 0 0 "[ . 1 . 2]" 2
2 1 2 CYS CB 1 16 CYS SG 2.990 2.490 3.490 3.023 3.010 3.050 . 0 0 "[ . 1 . 2]" 2
3 1 2 CYS SG 1 16 CYS CB 2.990 2.490 3.490 3.024 3.008 3.038 . 0 0 "[ . 1 . 2]" 2
4 1 9 CYS SG 1 21 CYS SG 2.020 . 2.040 2.016 2.011 2.019 . 0 0 "[ . 1 . 2]" 2
5 1 9 CYS CB 1 21 CYS SG 2.990 2.490 3.490 3.019 3.006 3.026 . 0 0 "[ . 1 . 2]" 2
6 1 9 CYS SG 1 21 CYS CB 2.990 2.490 3.490 3.000 2.982 3.013 . 0 0 "[ . 1 . 2]" 2
7 1 15 CYS SG 1 28 CYS SG 2.020 . 2.040 2.019 2.017 2.021 . 0 0 "[ . 1 . 2]" 2
8 1 15 CYS CB 1 28 CYS SG 2.990 2.490 3.490 3.010 2.999 3.026 . 0 0 "[ . 1 . 2]" 2
9 1 15 CYS SG 1 28 CYS CB 2.990 2.490 3.490 3.012 2.998 3.021 . 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 8
_Distance_constraint_stats_list.Viol_count 57
_Distance_constraint_stats_list.Viol_total 63.015
_Distance_constraint_stats_list.Viol_max 0.135
_Distance_constraint_stats_list.Viol_rms 0.0341
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0197
_Distance_constraint_stats_list.Viol_average_violations_only 0.0553
_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 7 TRP 0.815 0.077 12 0 "[ . 1 . 2]"
1 20 VAL 0.304 0.049 5 0 "[ . 1 . 2]"
1 22 SER 2.031 0.135 17 0 "[ . 1 . 2]"
1 27 TRP 2.031 0.135 17 0 "[ . 1 . 2]"
1 28 CYS 0.815 0.077 12 0 "[ . 1 . 2]"
1 29 VAL 0.304 0.049 5 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 7 TRP O 1 28 CYS H 2.000 . 2.300 2.339 2.287 2.377 0.077 12 0 "[ . 1 . 2]" 3
2 1 7 TRP O 1 28 CYS N 2.700 2.300 3.300 3.234 3.039 3.289 . 0 0 "[ . 1 . 2]" 3
3 1 20 VAL O 1 29 VAL H 2.000 . 2.300 1.798 1.751 1.903 0.049 5 0 "[ . 1 . 2]" 3
4 1 20 VAL O 1 29 VAL N 2.700 2.300 3.300 2.686 2.413 2.791 . 0 0 "[ . 1 . 2]" 3
5 1 22 SER H 1 27 TRP O 2.000 . 2.300 2.231 1.852 2.333 0.033 19 0 "[ . 1 . 2]" 3
6 1 22 SER N 1 27 TRP O 2.700 2.300 3.300 2.946 2.739 3.085 . 0 0 "[ . 1 . 2]" 3
7 1 22 SER O 1 27 TRP H 2.000 . 2.300 2.395 2.365 2.435 0.135 17 0 "[ . 1 . 2]" 3
8 1 22 SER O 1 27 TRP N 2.700 2.300 3.300 3.197 3.122 3.249 . 0 0 "[ . 1 . 2]" 3
stop_
save_
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