NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
585832 |
2mpi   |
19979 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mpi
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 393
_Distance_constraint_stats_list.Viol_count 658
_Distance_constraint_stats_list.Viol_total 2292.505
_Distance_constraint_stats_list.Viol_max 1.356
_Distance_constraint_stats_list.Viol_rms 0.1033
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0180
_Distance_constraint_stats_list.Viol_average_violations_only 0.1936
_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 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 2 ILE 17.701 1.258 18 9 "[** *.* ** -.* +]"
1 3 VAL 2.583 0.225 18 0 "[ . 1 . ]"
1 4 GLU 2.663 0.225 18 0 "[ . 1 . ]"
1 5 GLN 0.124 0.048 15 0 "[ . 1 . ]"
1 6 CYS 1.393 0.254 2 0 "[ . 1 . ]"
1 7 CYS 1.240 0.272 12 0 "[ . 1 . ]"
1 8 THR 0.022 0.022 16 0 "[ . 1 . ]"
1 9 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 10 ILE 0.000 0.000 . 0 "[ . 1 . ]"
1 11 CYS 0.233 0.073 5 0 "[ . 1 . ]"
1 12 SER 0.314 0.040 16 0 "[ . 1 . ]"
1 13 LEU 16.582 1.178 7 12 "[ **-+ *** **** *]"
1 14 TYR 0.167 0.083 4 0 "[ . 1 . ]"
1 15 GLN 0.831 0.102 1 0 "[ . 1 . ]"
1 16 LEU 4.651 0.746 1 2 "[+ - . 1 . ]"
1 17 GLU 2.039 0.168 8 0 "[ . 1 . ]"
1 18 ASN 0.809 0.102 1 0 "[ . 1 . ]"
1 19 TYR 59.695 1.356 13 18 [************+-****]
1 20 CYS 1.267 0.639 10 1 "[ . + . ]"
1 21 ASN 1.048 0.639 10 1 "[ . + . ]"
2 1 PHE 16.729 1.178 7 12 "[ **-+ *** **** *]"
2 2 VAL 3.523 0.242 1 0 "[ . 1 . ]"
2 3 ASN 3.298 0.242 1 0 "[ . 1 . ]"
2 4 GLN 0.104 0.092 3 0 "[ . 1 . ]"
2 5 HIS 0.957 0.157 13 0 "[ . 1 . ]"
2 6 LEU 1.481 0.254 2 0 "[ . 1 . ]"
2 7 CYS 0.000 0.000 . 0 "[ . 1 . ]"
2 8 GLY 0.000 0.000 . 0 "[ . 1 . ]"
2 9 SER 0.067 0.061 14 0 "[ . 1 . ]"
2 10 ASP 0.050 0.050 14 0 "[ . 1 . ]"
2 11 LEU 1.115 0.272 12 0 "[ . 1 . ]"
2 12 VAL 11.274 1.158 2 9 "[ +**.** -1 *.* *]"
2 13 GLU 1.230 0.097 4 0 "[ . 1 . ]"
2 14 ALA 0.949 0.105 17 0 "[ . 1 . ]"
2 15 LEU 30.849 1.356 13 18 [************+**-**]
2 16 TYR 1.592 0.103 2 0 "[ . 1 . ]"
2 17 LEU 1.747 0.120 15 0 "[ . 1 . ]"
2 18 VAL 0.623 0.109 13 0 "[ . 1 . ]"
2 19 CYS 0.911 0.147 4 0 "[ . 1 . ]"
2 20 GLY 0.986 0.147 4 0 "[ . 1 . ]"
2 21 GLU 0.812 0.141 5 0 "[ . 1 . ]"
2 22 ARG 1.264 0.210 14 0 "[ . 1 . ]"
2 23 GLY 0.209 0.138 14 0 "[ . 1 . ]"
2 24 GLY 0.000 0.000 . 0 "[ . 1 . ]"
2 25 PHE 0.116 0.116 9 0 "[ . 1 . ]"
2 26 TYR 26.998 1.158 2 16 "[*+**-****1* ******]"
2 27 THR 3.354 0.196 9 0 "[ . 1 . ]"
2 28 LYS 2.128 0.148 9 0 "[ . 1 . ]"
2 29 PRO 0.019 0.015 18 0 "[ . 1 . ]"
2 30 THR 0.019 0.015 18 0 "[ . 1 . ]"
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 HA 1 5 GLN QB 4.400 . 4.400 2.923 2.398 3.553 . 0 0 "[ . 1 . ]" 1
2 1 2 ILE MG 1 3 VAL HA 6.000 . 6.000 3.615 3.020 5.124 . 0 0 "[ . 1 . ]" 1
3 1 3 VAL HA 1 7 CYS QB 6.000 . 6.000 2.706 2.217 3.144 . 0 0 "[ . 1 . ]" 1
4 1 3 VAL HA 2 11 LEU MD1 3.700 . 3.700 2.247 1.853 2.755 . 0 0 "[ . 1 . ]" 1
5 1 3 VAL HA 2 11 LEU MD2 3.700 . 3.700 2.566 1.885 2.961 . 0 0 "[ . 1 . ]" 1
6 1 2 ILE MG 1 3 VAL H 4.400 . 4.400 3.342 2.567 3.710 . 0 0 "[ . 1 . ]" 1
7 1 3 VAL MG1 1 4 GLU HA 6.500 . 6.500 5.353 5.238 5.448 . 0 0 "[ . 1 . ]" 1
8 1 3 VAL MG2 1 4 GLU HA 4.400 . 4.400 3.105 2.845 3.381 . 0 0 "[ . 1 . ]" 1
9 1 6 CYS HA 1 7 CYS QB 6.000 . 6.000 5.177 4.246 5.326 . 0 0 "[ . 1 . ]" 1
10 1 6 CYS HA 1 11 CYS QB 4.400 . 4.400 3.528 2.176 4.039 . 0 0 "[ . 1 . ]" 1
11 1 6 CYS HB3 1 16 LEU HG 6.000 . 6.000 5.282 4.755 5.720 . 0 0 "[ . 1 . ]" 1
12 1 6 CYS HB3 2 6 LEU MD1 4.700 . 4.700 2.216 1.746 3.611 0.254 2 0 "[ . 1 . ]" 1
13 1 6 CYS HB3 2 6 LEU MD2 4.700 . 4.700 2.879 2.012 3.650 . 0 0 "[ . 1 . ]" 1
14 1 6 CYS HB2 1 16 LEU HG 6.000 . 6.000 5.490 4.886 5.967 . 0 0 "[ . 1 . ]" 1
15 1 6 CYS HB2 2 6 LEU MD1 4.700 . 4.700 2.488 1.958 3.665 0.042 1 0 "[ . 1 . ]" 1
16 1 6 CYS HB2 2 6 LEU MD2 4.700 . 4.700 3.265 2.039 3.737 . 0 0 "[ . 1 . ]" 1
17 1 7 CYS HA 2 5 HIS HB3 4.700 . 4.700 4.737 4.496 4.857 0.157 13 0 "[ . 1 . ]" 1
18 1 7 CYS HA 2 6 LEU MD1 6.000 . 6.000 2.870 2.020 5.044 . 0 0 "[ . 1 . ]" 1
19 1 7 CYS HA 2 6 LEU MD2 6.000 . 6.000 4.502 2.059 5.084 . 0 0 "[ . 1 . ]" 1
20 1 3 VAL MG1 1 7 CYS QB 5.400 . 5.400 3.891 3.522 4.027 . 0 0 "[ . 1 . ]" 1
21 1 3 VAL MG2 1 7 CYS QB 5.400 . 5.400 3.363 2.795 3.831 . 0 0 "[ . 1 . ]" 1
22 1 7 CYS QB 1 8 THR MG 7.000 . 7.000 3.903 2.635 4.893 . 0 0 "[ . 1 . ]" 1
23 1 7 CYS QB 2 6 LEU MD1 7.000 . 7.000 3.483 2.030 5.181 . 0 0 "[ . 1 . ]" 1
24 1 7 CYS QB 2 6 LEU MD2 7.500 . 7.500 4.793 2.604 5.511 . 0 0 "[ . 1 . ]" 1
25 1 7 CYS QB 2 11 LEU MD1 7.000 . 7.000 2.755 1.728 3.305 0.272 12 0 "[ . 1 . ]" 1
26 1 7 CYS QB 2 11 LEU MD2 7.000 . 7.000 4.270 3.287 4.768 . 0 0 "[ . 1 . ]" 1
27 1 11 CYS QB 1 15 GLN HB3 5.400 . 5.400 3.368 2.564 4.631 . 0 0 "[ . 1 . ]" 1
28 1 11 CYS QB 1 15 GLN HB2 5.400 . 5.400 2.492 1.927 3.405 0.073 5 0 "[ . 1 . ]" 1
29 1 11 CYS QB 1 15 GLN QG 5.400 . 5.400 3.451 2.788 4.050 . 0 0 "[ . 1 . ]" 1
30 1 11 CYS QB 2 6 LEU MD1 7.000 . 7.000 4.406 2.407 5.096 . 0 0 "[ . 1 . ]" 1
31 1 11 CYS QB 2 6 LEU MD2 7.000 . 7.000 4.508 3.815 5.106 . 0 0 "[ . 1 . ]" 1
32 1 10 ILE MG 1 12 SER HA 6.000 . 6.000 4.522 3.941 4.902 . 0 0 "[ . 1 . ]" 1
33 1 12 SER HA 1 13 LEU QB 6.000 . 6.000 4.245 4.168 4.305 . 0 0 "[ . 1 . ]" 1
34 1 12 SER HA 2 2 VAL MG1 4.400 . 4.400 3.203 1.826 3.744 . 0 0 "[ . 1 . ]" 1
35 1 12 SER HA 2 2 VAL MG2 4.400 . 4.400 2.447 1.754 3.709 . 0 0 "[ . 1 . ]" 1
36 1 13 LEU HA 1 16 LEU HB3 6.000 . 6.000 3.928 3.466 4.534 . 0 0 "[ . 1 . ]" 1
37 1 13 LEU HA 1 16 LEU HB2 6.000 . 6.000 2.367 1.959 2.954 . 0 0 "[ . 1 . ]" 1
38 1 13 LEU HG 2 18 VAL MG1 4.400 . 4.400 2.058 1.789 2.765 . 0 0 "[ . 1 . ]" 1
39 1 13 LEU HG 2 18 VAL MG2 4.400 . 4.400 3.686 3.535 3.787 . 0 0 "[ . 1 . ]" 1
40 1 13 LEU QB 1 14 TYR HA 6.000 . 6.000 3.947 3.835 4.374 . 0 0 "[ . 1 . ]" 1
41 1 14 TYR HA 1 17 GLU HB3 4.400 . 4.400 4.115 3.858 4.358 . 0 0 "[ . 1 . ]" 1
42 1 14 TYR HA 1 17 GLU HB2 4.400 . 4.400 2.611 2.442 2.928 . 0 0 "[ . 1 . ]" 1
43 1 14 TYR HA 1 17 GLU QG 6.000 . 6.000 3.258 1.885 4.301 . 0 0 "[ . 1 . ]" 1
44 1 15 GLN HA 1 18 ASN QB 6.000 . 6.000 2.936 2.591 3.369 . 0 0 "[ . 1 . ]" 1
45 1 14 TYR QB 1 15 GLN H 6.000 . 6.000 2.419 2.119 2.749 . 0 0 "[ . 1 . ]" 1
46 1 15 GLN H 1 16 LEU H 5.000 . 5.000 2.708 2.572 2.845 . 0 0 "[ . 1 . ]" 1
47 1 15 GLN HA 1 16 LEU H 5.000 . 5.000 3.557 3.506 3.595 . 0 0 "[ . 1 . ]" 1
48 1 15 GLN HB3 1 16 LEU H 6.000 . 6.000 3.536 3.020 3.966 . 0 0 "[ . 1 . ]" 1
49 1 15 GLN HB2 1 16 LEU H 6.000 . 6.000 2.690 2.400 2.984 . 0 0 "[ . 1 . ]" 1
50 1 16 LEU MD1 1 17 GLU H 6.000 . 6.000 3.985 3.729 4.492 . 0 0 "[ . 1 . ]" 1
51 1 16 LEU MD2 1 17 GLU H 6.000 . 6.000 4.694 3.597 4.938 . 0 0 "[ . 1 . ]" 1
52 1 16 LEU H 1 17 GLU H 5.000 . 5.000 2.656 2.501 2.844 . 0 0 "[ . 1 . ]" 1
53 1 2 ILE MD 1 19 TYR HA 6.000 . 6.000 3.655 2.997 4.873 . 0 0 "[ . 1 . ]" 1
54 1 2 ILE MD 1 19 TYR HB3 5.400 . 5.400 3.099 2.198 3.672 . 0 0 "[ . 1 . ]" 1
55 1 19 TYR HB3 2 15 LEU QD 5.400 . 5.400 2.654 1.758 3.869 0.242 1 0 "[ . 1 . ]" 1
56 1 2 ILE MD 1 19 TYR HB2 5.400 . 5.400 4.242 3.231 4.604 . 0 0 "[ . 1 . ]" 1
57 1 19 TYR HB2 2 15 LEU QD 5.400 . 5.400 2.356 1.751 3.434 0.249 18 0 "[ . 1 . ]" 1
58 1 2 ILE MD 1 19 TYR QD 5.700 3.000 5.700 2.805 2.052 3.410 0.948 6 4 "[ * .+ - .* ]" 1
59 1 16 LEU HA 1 19 TYR QD 4.700 . 4.700 2.690 2.332 3.278 . 0 0 "[ . 1 . ]" 1
60 1 19 TYR QD 2 15 LEU QD 5.700 3.000 5.700 1.768 1.644 2.212 1.356 13 18 [************+****-] 1
61 1 2 ILE HA 1 19 TYR QE 7.000 . 7.000 4.882 2.920 6.146 . 0 0 "[ . 1 . ]" 1
62 1 2 ILE MD 1 19 TYR QE 8.000 3.000 8.000 3.289 2.187 4.169 0.813 16 2 "[ . - .+ ]" 1
63 1 2 ILE MG 1 19 TYR QE 8.000 3.000 8.000 2.904 1.742 5.261 1.258 18 6 "[** *. *1 -. +]" 1
64 1 16 LEU MD1 1 19 TYR QE 6.400 3.000 6.400 3.162 2.362 4.381 0.638 1 2 "[+ - . 1 . ]" 1
65 1 16 LEU MD2 1 19 TYR QE 6.400 3.000 6.400 3.810 3.197 4.830 . 0 0 "[ . 1 . ]" 1
66 1 19 TYR QE 2 15 LEU QD 8.000 3.000 8.000 2.768 2.297 3.089 0.703 12 3 "[ . 1 +* .- ]" 1
67 1 18 ASN HA 1 19 TYR H 5.000 . 5.000 3.510 3.449 3.561 . 0 0 "[ . 1 . ]" 1
68 1 18 ASN QB 1 19 TYR H 4.400 . 4.400 2.856 2.592 3.070 . 0 0 "[ . 1 . ]" 1
69 1 19 TYR H 1 20 CYS H 3.400 . 3.400 2.635 2.456 2.778 . 0 0 "[ . 1 . ]" 1
70 1 20 CYS HA 2 19 CYS HB3 6.000 . 6.000 5.279 2.664 5.991 . 0 0 "[ . 1 . ]" 1
71 1 20 CYS HA 2 19 CYS HB2 6.000 . 6.000 5.417 3.642 6.119 0.119 18 0 "[ . 1 . ]" 1
72 1 19 TYR HA 1 20 CYS H 5.000 . 5.000 3.444 3.266 3.554 . 0 0 "[ . 1 . ]" 1
73 1 20 CYS HA 1 21 ASN H 2.700 . 2.700 2.724 2.512 3.339 0.639 10 1 "[ . + . ]" 1
74 1 20 CYS HB3 1 21 ASN H 6.000 . 6.000 4.263 1.825 4.523 . 0 0 "[ . 1 . ]" 1
75 1 20 CYS HB2 1 21 ASN H 6.000 . 6.000 4.256 2.242 4.529 . 0 0 "[ . 1 . ]" 1
76 1 13 LEU QD 2 1 PHE QD 6.400 3.000 6.400 2.586 1.959 3.204 1.041 7 9 "[ **-+ *** * . *]" 1
77 1 13 LEU QD 2 1 PHE QE 6.400 3.000 6.400 2.582 1.822 3.345 1.178 7 7 "[ *. + ** *-* ]" 1
78 1 10 ILE MD 2 3 ASN HA 6.000 . 6.000 4.181 3.403 5.123 . 0 0 "[ . 1 . ]" 1
79 1 10 ILE MG 2 3 ASN HA 4.400 . 4.400 2.385 1.809 3.651 . 0 0 "[ . 1 . ]" 1
80 1 10 ILE MD 2 5 HIS HA 4.400 . 4.400 3.148 1.854 3.612 . 0 0 "[ . 1 . ]" 1
81 2 5 HIS HB3 2 6 LEU QB 7.000 . 7.000 5.074 4.633 5.297 . 0 0 "[ . 1 . ]" 1
82 2 5 HIS HB2 2 6 LEU QB 7.000 . 7.000 6.031 5.620 6.299 . 0 0 "[ . 1 . ]" 1
83 1 10 ILE MD 2 5 HIS HD2 6.000 . 6.000 4.780 4.080 5.043 . 0 0 "[ . 1 . ]" 1
84 2 6 LEU HA 2 10 ASP HB3 4.400 . 4.400 2.432 1.829 3.097 . 0 0 "[ . 1 . ]" 1
85 2 6 LEU HA 2 10 ASP HB2 4.400 . 4.400 2.437 1.898 2.900 . 0 0 "[ . 1 . ]" 1
86 1 7 CYS QB 2 7 CYS HA 4.400 . 4.400 3.012 1.825 4.096 . 0 0 "[ . 1 . ]" 1
87 2 6 LEU MD2 2 7 CYS HA 6.500 . 6.500 4.856 2.679 5.444 . 0 0 "[ . 1 . ]" 1
88 2 7 CYS HA 2 11 LEU QB 6.000 . 6.000 3.220 2.492 4.328 . 0 0 "[ . 1 . ]" 1
89 2 7 CYS HA 2 11 LEU MD1 4.400 . 4.400 2.053 1.702 2.672 . 0 0 "[ . 1 . ]" 1
90 2 7 CYS HA 2 11 LEU MD2 5.300 . 5.300 3.979 2.817 4.348 . 0 0 "[ . 1 . ]" 1
91 2 6 LEU HA 2 7 CYS H 5.000 . 5.000 2.631 2.154 3.145 . 0 0 "[ . 1 . ]" 1
92 2 9 SER HA 2 12 VAL HB 5.000 . 5.000 4.795 4.463 5.061 0.061 14 0 "[ . 1 . ]" 1
93 2 9 SER HA 2 12 VAL QG 4.400 . 4.400 1.927 1.770 2.247 . 0 0 "[ . 1 . ]" 1
94 2 6 LEU MD2 2 10 ASP HA 7.000 . 7.000 5.165 3.489 5.962 . 0 0 "[ . 1 . ]" 1
95 2 10 ASP HA 2 13 GLU HB3 3.700 . 3.700 3.293 3.039 3.595 . 0 0 "[ . 1 . ]" 1
96 2 10 ASP HA 2 13 GLU HB2 3.700 . 3.700 2.242 1.960 2.666 . 0 0 "[ . 1 . ]" 1
97 2 6 LEU MD1 2 10 ASP HB3 6.300 . 6.300 4.753 3.707 5.169 . 0 0 "[ . 1 . ]" 1
98 2 6 LEU MD2 2 10 ASP HB3 5.400 . 5.400 4.228 2.486 4.515 . 0 0 "[ . 1 . ]" 1
99 2 6 LEU MD1 2 10 ASP HB2 6.300 . 6.300 4.342 3.767 5.307 . 0 0 "[ . 1 . ]" 1
100 2 6 LEU MD2 2 10 ASP HB2 5.400 . 5.400 4.220 2.952 4.493 . 0 0 "[ . 1 . ]" 1
101 2 6 LEU QB 2 11 LEU HA 6.000 . 6.000 2.595 2.074 3.300 . 0 0 "[ . 1 . ]" 1
102 2 6 LEU MD1 2 11 LEU HA 5.000 . 5.000 3.357 1.785 4.024 . 0 0 "[ . 1 . ]" 1
103 2 6 LEU MD2 2 11 LEU HA 4.400 . 4.400 2.457 1.854 3.739 . 0 0 "[ . 1 . ]" 1
104 2 11 LEU HA 2 14 ALA MB 4.400 . 4.400 2.837 2.513 3.105 . 0 0 "[ . 1 . ]" 1
105 2 11 LEU HA 2 15 LEU HB2 6.000 . 6.000 5.081 4.303 6.054 0.054 17 0 "[ . 1 . ]" 1
106 2 6 LEU MD1 2 11 LEU HG 4.400 . 4.400 3.099 1.782 3.578 . 0 0 "[ . 1 . ]" 1
107 2 6 LEU MD2 2 11 LEU HG 4.400 . 4.400 2.918 1.878 3.625 . 0 0 "[ . 1 . ]" 1
108 2 11 LEU HG 2 15 LEU QD 5.300 . 5.300 2.550 2.044 2.993 . 0 0 "[ . 1 . ]" 1
109 2 12 VAL HA 2 15 LEU QD . . 5.000 2.947 1.850 3.797 . 0 0 "[ . 1 . ]" 1
110 2 12 VAL HA 2 15 LEU HG 5.000 . 5.000 3.849 3.131 4.750 . 0 0 "[ . 1 . ]" 1
111 2 11 LEU HA 2 12 VAL H 5.000 . 5.000 3.585 3.559 3.601 . 0 0 "[ . 1 . ]" 1
112 2 12 VAL H 2 13 GLU H 3.400 . 3.400 2.806 2.684 2.996 . 0 0 "[ . 1 . ]" 1
113 2 13 GLU HA 2 16 TYR QB 3.700 . 3.700 2.314 1.917 2.557 . 0 0 "[ . 1 . ]" 1
114 2 10 ASP HA 2 13 GLU H 5.000 . 5.000 3.669 3.339 3.976 . 0 0 "[ . 1 . ]" 1
115 2 12 VAL HA 2 13 GLU H 5.000 . 5.000 3.515 3.472 3.582 . 0 0 "[ . 1 . ]" 1
116 2 12 VAL HB 2 13 GLU H 5.000 . 5.000 3.837 3.350 4.052 . 0 0 "[ . 1 . ]" 1
117 2 12 VAL QG 2 13 GLU H . . 4.400 1.981 1.761 2.229 . 0 0 "[ . 1 . ]" 1
118 2 13 GLU H 2 14 ALA MB 6.000 . 6.000 4.355 4.245 4.549 . 0 0 "[ . 1 . ]" 1
119 2 13 GLU H 2 14 ALA H 3.400 . 3.400 2.753 2.647 2.910 . 0 0 "[ . 1 . ]" 1
120 2 14 ALA HA 2 17 LEU HB3 4.400 . 4.400 4.386 4.335 4.429 0.029 9 0 "[ . 1 . ]" 1
121 2 14 ALA HA 2 17 LEU HB2 4.400 . 4.400 3.545 3.481 3.597 . 0 0 "[ . 1 . ]" 1
122 2 13 GLU HB3 2 14 ALA H 3.700 . 3.700 2.823 2.660 3.078 . 0 0 "[ . 1 . ]" 1
123 2 13 GLU HB2 2 14 ALA H 3.700 . 3.700 2.661 2.558 2.842 . 0 0 "[ . 1 . ]" 1
124 2 14 ALA H 2 15 LEU QD 6.000 . 6.000 3.582 3.350 3.877 . 0 0 "[ . 1 . ]" 1
125 2 14 ALA H 2 17 LEU H 5.000 . 5.000 4.830 4.735 4.947 . 0 0 "[ . 1 . ]" 1
126 2 15 LEU HA 2 18 VAL HB 5.000 . 5.000 5.008 4.638 5.109 0.109 13 0 "[ . 1 . ]" 1
127 2 15 LEU HA 2 18 VAL MG1 4.400 . 4.400 2.890 2.241 3.202 . 0 0 "[ . 1 . ]" 1
128 2 15 LEU HA 2 18 VAL MG2 4.400 . 4.400 2.331 2.234 2.428 . 0 0 "[ . 1 . ]" 1
129 2 12 VAL HA 2 15 LEU H 5.000 . 5.000 3.700 3.478 3.898 . 0 0 "[ . 1 . ]" 1
130 2 14 ALA HA 2 15 LEU H 5.000 . 5.000 3.568 3.527 3.606 . 0 0 "[ . 1 . ]" 1
131 2 14 ALA MB 2 15 LEU H 3.700 . 3.700 2.381 2.090 2.608 . 0 0 "[ . 1 . ]" 1
132 2 14 ALA H 2 15 LEU H 3.400 . 3.400 2.803 2.624 3.114 . 0 0 "[ . 1 . ]" 1
133 2 15 LEU H 2 16 TYR H 3.400 . 3.400 2.618 2.555 2.694 . 0 0 "[ . 1 . ]" 1
134 2 15 LEU H 2 18 VAL MG1 6.000 . 6.000 4.422 4.054 4.582 . 0 0 "[ . 1 . ]" 1
135 2 15 LEU H 2 18 VAL MG2 6.000 . 6.000 4.610 4.419 4.753 . 0 0 "[ . 1 . ]" 1
136 2 16 TYR HA 2 19 CYS HB3 6.000 . 6.000 4.576 4.007 5.123 . 0 0 "[ . 1 . ]" 1
137 2 16 TYR HA 2 19 CYS HB2 6.000 . 6.000 3.376 2.902 4.172 . 0 0 "[ . 1 . ]" 1
138 2 13 GLU HA 2 16 TYR QD 4.700 . 4.700 3.712 3.044 4.330 . 0 0 "[ . 1 . ]" 1
139 2 16 TYR QD 2 17 LEU MD2 6.000 . 6.000 2.492 1.809 4.450 . 0 0 "[ . 1 . ]" 1
140 2 13 GLU HA 2 16 TYR H 3.400 . 3.400 3.404 3.291 3.471 0.071 9 0 "[ . 1 . ]" 1
141 2 15 LEU HA 2 16 TYR H 3.400 . 3.400 3.470 3.431 3.503 0.103 2 0 "[ . 1 . ]" 1
142 2 15 LEU HB3 2 16 TYR H 6.000 . 6.000 3.769 3.403 4.102 . 0 0 "[ . 1 . ]" 1
143 2 15 LEU HB2 2 16 TYR H 6.000 . 6.000 2.906 2.701 3.104 . 0 0 "[ . 1 . ]" 1
144 2 16 TYR H 2 17 LEU MD2 6.000 . 6.000 3.495 3.328 3.712 . 0 0 "[ . 1 . ]" 1
145 2 16 TYR H 2 17 LEU H 3.400 . 3.400 2.452 2.324 2.545 . 0 0 "[ . 1 . ]" 1
146 2 16 TYR HA 2 17 LEU H 5.000 . 5.000 3.419 3.352 3.515 . 0 0 "[ . 1 . ]" 1
147 2 16 TYR QB 2 17 LEU H 3.700 . 3.700 3.131 2.794 3.271 . 0 0 "[ . 1 . ]" 1
148 2 17 LEU H 2 18 VAL H 5.000 . 5.000 2.384 2.202 2.815 . 0 0 "[ . 1 . ]" 1
149 2 15 LEU HA 2 18 VAL H 5.000 . 5.000 3.645 3.422 4.064 . 0 0 "[ . 1 . ]" 1
150 2 17 LEU HA 2 18 VAL H 5.000 . 5.000 3.556 3.505 3.580 . 0 0 "[ . 1 . ]" 1
151 2 18 VAL H 2 19 CYS H 3.400 . 3.400 2.612 2.305 2.852 . 0 0 "[ . 1 . ]" 1
152 1 20 CYS HB3 2 19 CYS HA 6.000 . 6.000 5.186 3.239 5.694 . 0 0 "[ . 1 . ]" 1
153 1 20 CYS HB2 2 19 CYS HA 6.000 . 6.000 5.301 4.162 5.902 . 0 0 "[ . 1 . ]" 1
154 2 18 VAL MG2 2 19 CYS HA 4.400 . 4.400 3.367 3.176 3.541 . 0 0 "[ . 1 . ]" 1
155 2 19 CYS HA 2 22 ARG HB3 6.000 . 6.000 3.930 2.116 5.998 . 0 0 "[ . 1 . ]" 1
156 2 19 CYS HA 2 22 ARG HB2 6.000 . 6.000 4.639 3.391 5.991 . 0 0 "[ . 1 . ]" 1
157 2 19 CYS HA 2 22 ARG QD 6.000 . 6.000 4.191 2.790 5.322 . 0 0 "[ . 1 . ]" 1
158 2 19 CYS HA 2 22 ARG QG 6.000 . 6.000 4.242 2.077 5.368 . 0 0 "[ . 1 . ]" 1
159 2 18 VAL HB 2 19 CYS H 5.000 . 5.000 4.098 3.871 4.314 . 0 0 "[ . 1 . ]" 1
160 2 18 VAL MG2 2 19 CYS H 4.400 . 4.400 2.106 1.835 2.382 . 0 0 "[ . 1 . ]" 1
161 2 19 CYS H 2 20 GLY QA 6.000 . 6.000 4.043 3.876 4.318 . 0 0 "[ . 1 . ]" 1
162 2 19 CYS H 2 20 GLY H 5.000 . 5.000 2.358 1.875 2.752 . 0 0 "[ . 1 . ]" 1
163 2 29 PRO HA 2 30 THR H 2.700 . 2.700 2.499 2.270 2.715 0.015 18 0 "[ . 1 . ]" 1
164 2 29 PRO HG2 2 30 THR H 5.000 . 5.000 4.531 4.096 5.004 0.004 14 0 "[ . 1 . ]" 1
165 1 1 GLY QA 1 2 ILE H 3.700 . 3.700 2.318 2.098 2.859 . 0 0 "[ . 1 . ]" 1
166 1 2 ILE H 1 3 VAL H 2.700 . 2.700 2.298 2.076 2.728 0.028 2 0 "[ . 1 . ]" 1
167 1 2 ILE MD 1 3 VAL H 6.000 . 6.000 4.686 3.993 5.004 . 0 0 "[ . 1 . ]" 1
168 1 4 GLU HA 1 8 THR HB 5.000 . 5.000 3.727 2.646 4.682 . 0 0 "[ . 1 . ]" 1
169 1 3 VAL MG1 1 4 GLU QG 5.400 . 5.400 3.993 3.787 4.063 . 0 0 "[ . 1 . ]" 1
170 1 3 VAL MG2 1 4 GLU QG 5.400 . 5.400 1.972 1.775 2.452 0.225 18 0 "[ . 1 . ]" 1
171 1 3 VAL HA 1 4 GLU H 3.400 . 3.400 3.473 3.373 3.523 0.123 15 0 "[ . 1 . ]" 1
172 1 3 VAL HB 1 4 GLU H 4.300 . 4.300 4.046 3.905 4.287 . 0 0 "[ . 1 . ]" 1
173 1 3 VAL H 1 4 GLU H 3.400 . 3.400 2.617 2.105 2.949 . 0 0 "[ . 1 . ]" 1
174 1 4 GLU H 1 5 GLN H 5.000 . 5.000 2.549 2.198 2.758 . 0 0 "[ . 1 . ]" 1
175 1 4 GLU HA 1 5 GLN H 3.400 . 3.400 3.352 3.248 3.448 0.048 15 0 "[ . 1 . ]" 1
176 1 4 GLU QB 1 5 GLN H 6.000 . 6.000 3.314 3.024 3.521 . 0 0 "[ . 1 . ]" 1
177 1 4 GLU QG 1 5 GLN H 6.000 . 6.000 3.865 3.382 4.116 . 0 0 "[ . 1 . ]" 1
178 1 5 GLN HA 1 6 CYS H 5.000 . 5.000 3.556 3.529 3.590 . 0 0 "[ . 1 . ]" 1
179 1 5 GLN QB 1 6 CYS H 4.400 . 4.400 2.618 1.856 2.895 . 0 0 "[ . 1 . ]" 1
180 1 3 VAL HA 1 7 CYS H 5.000 . 5.000 3.045 2.650 5.001 0.001 12 0 "[ . 1 . ]" 1
181 1 6 CYS HB3 1 7 CYS H 6.000 . 6.000 3.597 2.732 4.064 . 0 0 "[ . 1 . ]" 1
182 1 7 CYS H 1 8 THR MG 6.000 . 6.000 4.065 3.235 4.996 . 0 0 "[ . 1 . ]" 1
183 1 7 CYS H 1 8 THR H 3.400 . 3.400 2.697 1.998 3.422 0.022 16 0 "[ . 1 . ]" 1
184 1 4 GLU HA 1 8 THR H 5.000 . 5.000 3.858 3.023 4.513 . 0 0 "[ . 1 . ]" 1
185 1 7 CYS HA 1 8 THR H 5.000 . 5.000 3.481 3.355 3.602 . 0 0 "[ . 1 . ]" 1
186 1 9 SER HA 1 10 ILE H 3.400 . 3.400 2.668 2.280 3.152 . 0 0 "[ . 1 . ]" 1
187 1 11 CYS HA 1 12 SER H 2.700 . 2.700 2.594 2.385 2.740 0.040 16 0 "[ . 1 . ]" 1
188 1 11 CYS QB 1 12 SER H 6.000 . 6.000 2.162 1.864 2.562 . 0 0 "[ . 1 . ]" 1
189 1 12 SER H 1 15 GLN HB3 4.400 . 4.400 4.070 3.354 4.430 0.030 13 0 "[ . 1 . ]" 1
190 1 12 SER H 1 15 GLN HB2 4.400 . 4.400 2.568 1.883 2.902 . 0 0 "[ . 1 . ]" 1
191 1 12 SER H 1 15 GLN QG 6.000 . 6.000 2.927 1.955 4.272 . 0 0 "[ . 1 . ]" 1
192 1 12 SER HA 1 13 LEU H 3.400 . 3.400 2.299 2.213 2.405 . 0 0 "[ . 1 . ]" 1
193 1 12 SER HB3 1 13 LEU H 4.400 . 4.400 4.168 3.767 4.326 . 0 0 "[ . 1 . ]" 1
194 1 12 SER HB2 1 13 LEU H 4.400 . 4.400 3.023 2.734 3.353 . 0 0 "[ . 1 . ]" 1
195 1 13 LEU H 1 14 TYR H 3.400 . 3.400 2.861 2.772 2.959 . 0 0 "[ . 1 . ]" 1
196 1 13 LEU HA 1 14 TYR H 5.000 . 5.000 3.503 3.477 3.534 . 0 0 "[ . 1 . ]" 1
197 1 13 LEU QB 1 14 TYR H 3.700 . 3.700 2.885 2.715 2.988 . 0 0 "[ . 1 . ]" 1
198 1 13 LEU QD 1 14 TYR H 6.000 . 6.000 3.995 3.106 4.284 . 0 0 "[ . 1 . ]" 1
199 1 12 SER HA 1 15 GLN H 5.000 . 5.000 4.663 4.388 4.859 . 0 0 "[ . 1 . ]" 1
200 1 12 SER HB3 1 15 GLN H 4.400 . 4.400 4.349 4.122 4.430 0.030 5 0 "[ . 1 . ]" 1
201 1 12 SER HB2 1 15 GLN H 4.400 . 4.400 4.115 3.092 4.414 0.014 9 0 "[ . 1 . ]" 1
202 1 14 TYR HA 1 15 GLN H 3.700 . 3.700 3.575 3.528 3.591 . 0 0 "[ . 1 . ]" 1
203 1 16 LEU HA 2 15 LEU QD 4.400 . 4.400 2.847 2.356 3.286 . 0 0 "[ . 1 . ]" 1
204 1 13 LEU HA 1 16 LEU H 3.400 . 3.400 3.326 2.936 3.461 0.061 17 0 "[ . 1 . ]" 1
205 1 13 LEU QB 1 16 LEU H 6.000 . 6.000 4.949 4.612 5.205 . 0 0 "[ . 1 . ]" 1
206 1 13 LEU HA 1 17 GLU H 5.000 . 5.000 4.036 3.556 4.539 . 0 0 "[ . 1 . ]" 1
207 1 16 LEU HB3 1 17 GLU H 4.400 . 4.400 3.534 3.127 3.707 . 0 0 "[ . 1 . ]" 1
208 1 16 LEU HB2 1 17 GLU H 4.400 . 4.400 2.787 2.538 2.929 . 0 0 "[ . 1 . ]" 1
209 1 16 LEU HG 1 17 GLU H 5.000 . 5.000 4.966 4.850 5.127 0.127 2 0 "[ . 1 . ]" 1
210 1 17 GLU H 1 18 ASN H 2.700 . 2.700 2.660 2.546 2.767 0.067 1 0 "[ . 1 . ]" 1
211 1 14 TYR HA 1 18 ASN H 5.000 . 5.000 4.886 4.659 5.015 0.015 11 0 "[ . 1 . ]" 1
212 1 15 GLN HA 1 18 ASN H 3.400 . 3.400 3.430 3.314 3.502 0.102 1 0 "[ . 1 . ]" 1
213 1 17 GLU HB3 1 18 ASN H 4.400 . 4.400 3.516 3.263 3.815 . 0 0 "[ . 1 . ]" 1
214 1 17 GLU HB2 1 18 ASN H 4.400 . 4.400 3.072 2.782 3.297 . 0 0 "[ . 1 . ]" 1
215 1 18 ASN H 1 19 TYR H 2.700 . 2.700 2.500 2.438 2.571 . 0 0 "[ . 1 . ]" 1
216 1 2 ILE MG 1 19 TYR HB3 7.000 . 7.000 4.262 3.512 5.168 . 0 0 "[ . 1 . ]" 1
217 1 16 LEU HG 1 19 TYR HB3 6.000 . 6.000 5.663 4.879 6.126 0.126 1 0 "[ . 1 . ]" 1
218 1 2 ILE MG 1 19 TYR HB2 7.000 . 7.000 5.172 4.381 5.752 . 0 0 "[ . 1 . ]" 1
219 1 16 LEU HG 1 19 TYR HB2 6.000 . 6.000 4.741 4.147 5.144 . 0 0 "[ . 1 . ]" 1
220 1 2 ILE MG 1 19 TYR QD 6.400 3.000 6.400 3.271 2.175 4.757 0.825 1 2 "[+- . 1 . ]" 1
221 1 16 LEU MD1 1 19 TYR QD 6.400 3.000 6.400 4.079 2.254 4.820 0.746 1 1 "[+ . 1 . ]" 1
222 1 16 LEU MD2 1 19 TYR QD 6.400 3.000 6.400 3.897 3.148 4.811 . 0 0 "[ . 1 . ]" 1
223 1 16 LEU HA 1 19 TYR QE 7.000 . 7.000 3.066 2.670 3.550 . 0 0 "[ . 1 . ]" 1
224 1 19 TYR QE 2 15 LEU HA 7.000 . 7.000 5.901 5.568 6.497 . 0 0 "[ . 1 . ]" 1
225 1 16 LEU HA 1 19 TYR H 3.000 . 3.000 3.035 2.818 3.122 0.122 17 0 "[ . 1 . ]" 1
226 1 20 CYS H 1 21 ASN H 3.400 . 3.400 3.396 3.207 3.477 0.077 10 0 "[ . 1 . ]" 1
227 2 1 PHE HA 2 2 VAL MG1 6.000 . 6.000 4.666 4.162 5.055 . 0 0 "[ . 1 . ]" 1
228 2 1 PHE HA 2 2 VAL MG2 6.500 . 6.500 4.953 3.240 5.488 . 0 0 "[ . 1 . ]" 1
229 1 13 LEU QD 2 1 PHE QB 7.000 . 7.000 3.761 2.875 4.518 . 0 0 "[ . 1 . ]" 1
230 2 1 PHE QE 2 2 VAL H 7.000 . 7.000 5.614 3.727 6.567 . 0 0 "[ . 1 . ]" 1
231 2 1 PHE HA 2 2 VAL H 3.400 . 3.400 2.717 2.200 3.534 0.134 12 0 "[ . 1 . ]" 1
232 2 1 PHE QB 2 2 VAL H 4.400 . 4.400 3.135 1.771 4.044 . 0 0 "[ . 1 . ]" 1
233 2 2 VAL H 2 3 ASN H 5.000 . 5.000 4.303 4.199 4.479 . 0 0 "[ . 1 . ]" 1
234 1 10 ILE MG 2 3 ASN QB 7.000 . 7.000 3.948 2.730 4.912 . 0 0 "[ . 1 . ]" 1
235 2 2 VAL MG1 2 3 ASN QB 7.000 . 7.000 3.379 2.015 5.253 . 0 0 "[ . 1 . ]" 1
236 2 2 VAL MG2 2 3 ASN QB 7.000 . 7.000 4.102 2.482 4.553 . 0 0 "[ . 1 . ]" 1
237 2 2 VAL HA 2 3 ASN H 2.700 . 2.700 2.763 2.455 2.881 0.181 7 0 "[ . 1 . ]" 1
238 2 2 VAL HB 2 3 ASN H 3.400 . 3.400 3.116 1.720 3.642 0.242 1 0 "[ . 1 . ]" 1
239 2 2 VAL MG1 2 3 ASN H 3.700 . 3.700 2.226 1.813 3.435 . 0 0 "[ . 1 . ]" 1
240 2 2 VAL MG2 2 3 ASN H 4.400 . 4.400 2.269 1.705 3.804 . 0 0 "[ . 1 . ]" 1
241 1 10 ILE MD 2 4 GLN HA 6.000 . 6.000 4.205 3.493 4.687 . 0 0 "[ . 1 . ]" 1
242 1 10 ILE MD 2 4 GLN QB 7.000 . 7.000 4.947 4.324 5.233 . 0 0 "[ . 1 . ]" 1
243 1 10 ILE MD 2 4 GLN H 6.000 . 6.000 3.902 3.138 4.545 . 0 0 "[ . 1 . ]" 1
244 1 10 ILE MG 2 4 GLN H 4.400 . 4.400 2.567 1.850 3.619 . 0 0 "[ . 1 . ]" 1
245 2 3 ASN HA 2 4 GLN H 3.400 . 3.400 2.774 2.233 3.492 0.092 3 0 "[ . 1 . ]" 1
246 2 3 ASN QB 2 4 GLN H 4.400 . 4.400 3.823 3.210 4.031 . 0 0 "[ . 1 . ]" 1
247 1 10 ILE MD 2 5 HIS HE1 3.700 . 3.700 2.574 2.150 2.935 . 0 0 "[ . 1 . ]" 1
248 1 10 ILE MG 2 5 HIS HE1 6.000 . 6.000 4.964 4.444 5.158 . 0 0 "[ . 1 . ]" 1
249 1 10 ILE MD 2 5 HIS H 6.000 . 6.000 4.289 3.597 4.823 . 0 0 "[ . 1 . ]" 1
250 1 10 ILE MG 2 5 HIS H 6.500 . 6.500 4.986 4.580 5.435 . 0 0 "[ . 1 . ]" 1
251 2 4 GLN HA 2 5 HIS H 2.700 . 2.700 2.443 2.260 2.712 0.012 3 0 "[ . 1 . ]" 1
252 2 4 GLN QB 2 5 HIS H 3.700 . 3.700 2.810 1.907 3.430 . 0 0 "[ . 1 . ]" 1
253 2 4 GLN QG 2 5 HIS H 3.700 . 3.700 2.785 2.004 3.375 . 0 0 "[ . 1 . ]" 1
254 1 7 CYS HA 2 6 LEU H 5.000 . 5.000 2.598 1.972 4.436 . 0 0 "[ . 1 . ]" 1
255 2 5 HIS HA 2 6 LEU H 5.000 . 5.000 2.529 2.248 2.770 . 0 0 "[ . 1 . ]" 1
256 2 7 CYS H 2 10 ASP HB3 5.000 . 5.000 3.211 2.364 3.425 . 0 0 "[ . 1 . ]" 1
257 2 7 CYS H 2 10 ASP HB2 4.400 . 4.400 1.854 1.750 2.093 . 0 0 "[ . 1 . ]" 1
258 2 7 CYS HA 2 8 GLY H 5.000 . 5.000 2.322 2.177 2.829 . 0 0 "[ . 1 . ]" 1
259 2 8 GLY QA 2 9 SER H 6.000 . 6.000 2.176 2.129 2.543 . 0 0 "[ . 1 . ]" 1
260 2 9 SER HA 2 10 ASP H 4.300 . 4.300 3.589 3.560 3.607 . 0 0 "[ . 1 . ]" 1
261 2 10 ASP H 2 13 GLU HB3 6.000 . 6.000 5.741 5.378 6.050 0.050 14 0 "[ . 1 . ]" 1
262 2 10 ASP H 2 13 GLU HB2 5.300 . 5.300 4.219 3.903 4.496 . 0 0 "[ . 1 . ]" 1
263 2 12 VAL HA 2 15 LEU HB3 6.000 . 6.000 3.942 3.234 4.954 . 0 0 "[ . 1 . ]" 1
264 2 12 VAL HA 2 15 LEU HB2 6.000 . 6.000 2.490 1.898 3.297 . 0 0 "[ . 1 . ]" 1
265 2 9 SER HA 2 12 VAL H 5.000 . 5.000 3.676 3.351 3.888 . 0 0 "[ . 1 . ]" 1
266 2 9 SER QB 2 12 VAL H 6.000 . 6.000 5.266 5.041 5.429 . 0 0 "[ . 1 . ]" 1
267 2 14 ALA HA 2 17 LEU MD1 3.700 . 3.700 1.879 1.824 2.005 . 0 0 "[ . 1 . ]" 1
268 2 14 ALA HA 2 17 LEU MD2 3.700 . 3.700 3.124 3.086 3.157 . 0 0 "[ . 1 . ]" 1
269 2 14 ALA MB 2 15 LEU QD 6.300 . 6.300 2.289 1.895 2.535 0.105 17 0 "[ . 1 . ]" 1
270 2 14 ALA MB 2 17 LEU MD1 5.400 . 5.400 2.950 2.791 3.057 . 0 0 "[ . 1 . ]" 1
271 2 14 ALA MB 2 17 LEU MD2 6.300 . 6.300 4.297 4.235 4.332 . 0 0 "[ . 1 . ]" 1
272 2 11 LEU HA 2 14 ALA H 3.400 . 3.400 3.431 3.216 3.493 0.093 17 0 "[ . 1 . ]" 1
273 2 13 GLU HA 2 14 ALA H 4.300 . 4.300 3.592 3.571 3.605 . 0 0 "[ . 1 . ]" 1
274 2 13 GLU QG 2 14 ALA H 5.000 . 5.000 4.278 4.205 4.476 . 0 0 "[ . 1 . ]" 1
275 2 14 ALA H 2 17 LEU MD2 5.300 . 5.300 4.133 3.807 4.304 . 0 0 "[ . 1 . ]" 1
276 2 12 VAL QG 2 16 TYR QB 7.000 . 7.000 4.007 3.632 4.300 . 0 0 "[ . 1 . ]" 1
277 2 16 TYR H 2 18 VAL MG1 6.000 . 6.000 4.760 4.580 4.824 . 0 0 "[ . 1 . ]" 1
278 2 16 TYR H 2 18 VAL MG2 6.000 . 6.000 4.470 4.271 4.604 . 0 0 "[ . 1 . ]" 1
279 2 14 ALA HA 2 17 LEU H 3.400 . 3.400 3.248 3.185 3.325 . 0 0 "[ . 1 . ]" 1
280 2 17 LEU HB3 2 18 VAL H 4.400 . 4.400 3.888 3.644 4.147 . 0 0 "[ . 1 . ]" 1
281 2 17 LEU HB2 2 18 VAL H 4.400 . 4.400 2.499 2.140 2.901 . 0 0 "[ . 1 . ]" 1
282 2 17 LEU MD1 2 18 VAL H 5.300 . 5.300 4.050 3.783 4.281 . 0 0 "[ . 1 . ]" 1
283 2 17 LEU MD2 2 18 VAL H 5.300 . 5.300 4.139 4.084 4.188 . 0 0 "[ . 1 . ]" 1
284 2 17 LEU HG 2 18 VAL H 3.400 . 3.400 3.200 3.049 3.349 . 0 0 "[ . 1 . ]" 1
285 2 16 TYR HA 2 19 CYS H 5.000 . 5.000 3.662 3.465 3.962 . 0 0 "[ . 1 . ]" 1
286 2 18 VAL HA 2 19 CYS H 4.300 . 4.300 3.492 3.409 3.551 . 0 0 "[ . 1 . ]" 1
287 2 17 LEU HA 2 20 GLY H 3.400 . 3.400 3.361 3.031 3.483 0.083 14 0 "[ . 1 . ]" 1
288 2 19 CYS HA 2 20 GLY H 3.400 . 3.400 3.224 2.868 3.547 0.147 4 0 "[ . 1 . ]" 1
289 2 19 CYS HB3 2 20 GLY H 4.400 . 4.400 4.085 2.845 4.407 0.007 6 0 "[ . 1 . ]" 1
290 2 19 CYS HB2 2 20 GLY H 4.400 . 4.400 3.595 2.563 4.297 . 0 0 "[ . 1 . ]" 1
291 2 20 GLY H 2 21 GLU H 3.400 . 3.400 2.993 2.366 3.446 0.046 6 0 "[ . 1 . ]" 1
292 2 20 GLY QA 2 21 GLU HA 6.000 . 6.000 4.163 4.011 4.560 . 0 0 "[ . 1 . ]" 1
293 2 21 GLU HA 2 22 ARG H 3.400 . 3.400 3.202 2.249 3.541 0.141 5 0 "[ . 1 . ]" 1
294 2 21 GLU QB 2 22 ARG H 4.400 . 4.400 3.502 1.854 4.066 . 0 0 "[ . 1 . ]" 1
295 2 21 GLU QG 2 22 ARG H 4.400 . 4.400 3.153 2.009 3.984 . 0 0 "[ . 1 . ]" 1
296 2 21 GLU H 2 22 ARG H 3.400 . 3.400 2.521 1.851 3.475 0.075 14 0 "[ . 1 . ]" 1
297 2 22 ARG HA 2 23 GLY H 2.700 . 2.700 2.411 2.189 2.721 0.021 18 0 "[ . 1 . ]" 1
298 2 22 ARG HB3 2 23 GLY H 4.400 . 4.400 3.919 2.713 4.418 0.018 15 0 "[ . 1 . ]" 1
299 2 22 ARG HB2 2 23 GLY H 4.400 . 4.400 3.491 2.052 4.538 0.138 14 0 "[ . 1 . ]" 1
300 2 23 GLY QA 2 24 GLY H 4.400 . 4.400 2.295 2.159 2.839 . 0 0 "[ . 1 . ]" 1
301 2 24 GLY QA 2 25 PHE H 3.700 . 3.700 2.435 2.154 2.939 . 0 0 "[ . 1 . ]" 1
302 2 12 VAL QG 2 26 TYR QE 8.000 3.000 8.000 2.782 1.868 4.248 1.132 14 8 "[ **.** -1 +.* *]" 1
303 2 12 VAL QG 2 26 TYR QD 8.000 3.000 8.000 3.496 1.842 4.810 1.158 2 3 "[ + *. 1 . -]" 1
304 2 15 LEU QD 2 26 TYR QD 8.000 3.000 8.000 4.393 2.663 5.583 0.337 3 0 "[ . 1 . ]" 1
305 2 25 PHE HA 2 26 TYR H 3.700 . 3.700 2.925 2.210 3.590 . 0 0 "[ . 1 . ]" 1
306 2 25 PHE QB 2 26 TYR H 4.400 . 4.400 2.771 1.738 3.927 . 0 0 "[ . 1 . ]" 1
307 2 25 PHE QD 2 26 TYR H 7.000 . 7.000 3.436 1.884 5.016 0.116 9 0 "[ . 1 . ]" 1
308 2 26 TYR H 2 27 THR H 3.700 . 3.700 2.912 1.928 3.896 0.196 9 0 "[ . 1 . ]" 1
309 2 26 TYR HA 2 27 THR H 3.400 . 3.400 3.195 2.329 3.530 0.130 14 0 "[ . 1 . ]" 1
310 2 26 TYR HB3 2 27 THR H 5.000 . 5.000 3.353 1.820 4.531 . 0 0 "[ . 1 . ]" 1
311 2 26 TYR HB2 2 27 THR H 4.700 . 4.700 3.723 1.816 4.694 . 0 0 "[ . 1 . ]" 1
312 2 26 TYR QD 2 27 THR H 7.000 . 7.000 3.682 1.842 4.992 0.158 10 0 "[ . 1 . ]" 1
313 2 27 THR H 2 28 LYS H 2.700 . 2.700 2.400 1.725 2.823 0.123 14 0 "[ . 1 . ]" 1
314 2 28 LYS HA 2 29 PRO QD 4.400 . 4.400 2.101 1.851 3.442 . 0 0 "[ . 1 . ]" 1
315 2 27 THR HA 2 28 LYS H 3.400 . 3.400 3.493 3.361 3.548 0.148 9 0 "[ . 1 . ]" 1
316 2 27 THR HB 2 28 LYS H 3.400 . 3.400 2.646 1.865 3.455 0.055 11 0 "[ . 1 . ]" 1
317 2 27 THR MG 2 28 LYS H 4.400 . 4.400 3.372 2.546 3.737 . 0 0 "[ . 1 . ]" 1
318 2 28 LYS H 2 29 PRO QB 6.000 . 6.000 5.054 4.473 5.347 . 0 0 "[ . 1 . ]" 1
319 2 29 PRO QB 2 30 THR H 4.400 . 4.400 2.552 2.105 3.106 . 0 0 "[ . 1 . ]" 1
320 1 3 VAL H 1 3 VAL MG2 4.300 . 4.300 2.395 2.021 2.695 . 0 0 "[ . 1 . ]" 1
321 1 6 CYS H 1 6 CYS HB3 4.300 . 4.300 3.679 3.576 3.747 . 0 0 "[ . 1 . ]" 1
322 1 6 CYS H 1 6 CYS HB2 4.300 . 4.300 2.477 2.282 2.686 . 0 0 "[ . 1 . ]" 1
323 1 12 SER HA 1 12 SER HB3 2.700 . 2.700 2.549 2.290 2.649 . 0 0 "[ . 1 . ]" 1
324 1 12 SER HA 1 12 SER HB2 2.700 . 2.700 2.410 2.333 2.716 0.016 8 0 "[ . 1 . ]" 1
325 1 12 SER H 1 12 SER HB3 4.300 . 4.300 2.909 2.467 3.638 . 0 0 "[ . 1 . ]" 1
326 1 12 SER H 1 12 SER HB2 4.300 . 4.300 3.780 3.632 3.982 . 0 0 "[ . 1 . ]" 1
327 1 15 GLN H 1 15 GLN HB3 3.700 . 3.700 3.578 3.481 3.621 . 0 0 "[ . 1 . ]" 1
328 1 15 GLN H 1 15 GLN HB2 4.300 . 4.300 2.438 2.161 2.748 . 0 0 "[ . 1 . ]" 1
329 1 16 LEU H 1 16 LEU HB3 3.700 . 3.700 3.583 3.516 3.627 . 0 0 "[ . 1 . ]" 1
330 1 16 LEU H 1 16 LEU HB2 4.300 . 4.300 2.331 2.192 2.538 . 0 0 "[ . 1 . ]" 1
331 1 17 GLU H 1 17 GLU HB3 3.400 . 3.400 3.491 3.448 3.568 0.168 8 0 "[ . 1 . ]" 1
332 1 17 GLU H 1 17 GLU HB2 4.300 . 4.300 2.187 2.121 2.426 . 0 0 "[ . 1 . ]" 1
333 1 19 TYR H 1 19 TYR HB3 4.300 . 4.300 3.640 3.602 3.680 . 0 0 "[ . 1 . ]" 1
334 1 19 TYR H 1 19 TYR HB2 4.300 . 4.300 2.613 2.352 2.842 . 0 0 "[ . 1 . ]" 1
335 1 20 CYS H 1 20 CYS HB3 3.700 . 3.700 3.601 3.440 3.702 0.002 1 0 "[ . 1 . ]" 1
336 1 20 CYS H 1 20 CYS HB2 4.300 . 4.300 2.423 2.146 2.785 . 0 0 "[ . 1 . ]" 1
337 2 5 HIS H 2 5 HIS HB3 3.400 . 3.400 3.124 3.041 3.261 . 0 0 "[ . 1 . ]" 1
338 2 5 HIS H 2 5 HIS HB2 4.300 . 4.300 2.517 2.173 2.909 . 0 0 "[ . 1 . ]" 1
339 2 7 CYS H 2 7 CYS HB3 4.300 . 4.300 3.893 3.520 4.166 . 0 0 "[ . 1 . ]" 1
340 2 7 CYS H 2 7 CYS HB2 4.300 . 4.300 3.155 2.491 3.489 . 0 0 "[ . 1 . ]" 1
341 2 10 ASP H 2 10 ASP HB3 4.300 . 4.300 3.613 3.582 3.636 . 0 0 "[ . 1 . ]" 1
342 2 10 ASP H 2 10 ASP HB2 4.300 . 4.300 2.804 2.408 2.966 . 0 0 "[ . 1 . ]" 1
343 2 13 GLU H 2 13 GLU HB3 3.400 . 3.400 3.447 3.427 3.497 0.097 4 0 "[ . 1 . ]" 1
344 2 13 GLU H 2 13 GLU HB2 4.300 . 4.300 2.133 2.111 2.177 . 0 0 "[ . 1 . ]" 1
345 2 15 LEU H 2 15 LEU HB3 3.700 . 3.700 3.587 3.516 3.637 . 0 0 "[ . 1 . ]" 1
346 2 15 LEU H 2 15 LEU HB2 4.300 . 4.300 2.443 2.194 2.721 . 0 0 "[ . 1 . ]" 1
347 2 17 LEU H 2 17 LEU HB3 4.300 . 4.300 3.659 3.577 3.730 . 0 0 "[ . 1 . ]" 1
348 2 17 LEU H 2 17 LEU HB2 4.300 . 4.300 3.010 2.891 3.092 . 0 0 "[ . 1 . ]" 1
349 2 18 VAL H 2 18 VAL MG2 4.300 . 4.300 2.438 2.235 2.571 . 0 0 "[ . 1 . ]" 1
350 2 19 CYS H 2 19 CYS HB3 3.700 . 3.700 3.638 3.444 3.743 0.043 5 0 "[ . 1 . ]" 1
351 2 19 CYS H 2 19 CYS HB2 4.300 . 4.300 2.464 2.219 2.719 . 0 0 "[ . 1 . ]" 1
352 2 22 ARG HA 2 22 ARG HB2 2.700 . 2.700 2.472 2.264 2.710 0.010 14 0 "[ . 1 . ]" 1
353 2 22 ARG H 2 22 ARG HB3 2.700 . 2.700 2.599 2.248 2.910 0.210 14 0 "[ . 1 . ]" 1
354 2 22 ARG H 2 22 ARG HB2 4.300 . 4.300 3.175 2.107 3.704 . 0 0 "[ . 1 . ]" 1
355 2 25 PHE HA 2 25 PHE QB . . 2.700 2.421 2.171 2.545 . 0 0 "[ . 1 . ]" 1
356 2 25 PHE H 2 25 PHE QB 3.400 . 3.400 2.566 2.073 3.138 . 0 0 "[ . 1 . ]" 1
357 2 26 TYR HA 2 26 TYR HB2 2.700 . 2.700 2.593 2.337 2.945 0.245 11 0 "[ . 1 . ]" 1
358 2 26 TYR H 2 26 TYR HB3 3.400 . 3.400 2.990 2.393 3.529 0.129 11 0 "[ . 1 . ]" 1
359 2 26 TYR H 2 26 TYR HB2 4.300 . 4.300 2.959 2.115 3.809 . 0 0 "[ . 1 . ]" 1
360 1 2 ILE HA 1 2 ILE MD 4.400 . 4.400 3.527 1.883 3.857 . 0 0 "[ . 1 . ]" 1
361 1 3 VAL HA 1 3 VAL HB 2.700 . 2.700 2.374 2.322 2.417 . 0 0 "[ . 1 . ]" 1
362 1 3 VAL H 1 3 VAL HB 3.700 . 3.700 3.609 3.577 3.715 0.015 6 0 "[ . 1 . ]" 1
363 1 10 ILE HA 1 10 ILE MD 4.400 . 4.400 2.312 1.838 3.617 . 0 0 "[ . 1 . ]" 1
364 1 14 TYR HA 1 14 TYR QD 5.400 . 5.400 2.452 1.917 3.029 0.083 4 0 "[ . 1 . ]" 1
365 1 16 LEU HA 1 16 LEU MD1 3.700 . 3.700 2.794 1.785 3.070 . 0 0 "[ . 1 . ]" 1
366 1 16 LEU HA 1 16 LEU HG 3.700 . 3.700 2.341 2.058 3.586 . 0 0 "[ . 1 . ]" 1
367 1 16 LEU H 1 16 LEU MD1 4.400 . 4.400 2.068 1.780 3.202 . 0 0 "[ . 1 . ]" 1
368 1 16 LEU H 1 16 LEU MD2 5.300 . 5.300 3.760 1.766 4.194 . 0 0 "[ . 1 . ]" 1
369 1 16 LEU H 1 16 LEU HG 3.700 . 3.700 3.540 3.315 3.800 0.100 1 0 "[ . 1 . ]" 1
370 1 19 TYR HA 1 19 TYR QD 5.400 . 5.400 2.328 1.904 2.979 0.096 8 0 "[ . 1 . ]" 1
371 1 19 TYR HB3 1 19 TYR QD 5.700 3.000 5.700 2.745 2.433 2.893 0.567 2 3 "[ + . 1 *. -]" 1
372 1 19 TYR HB2 1 19 TYR QD 5.700 3.000 5.700 2.717 2.510 2.899 0.490 11 0 "[ . 1 . ]" 1
373 2 1 PHE HA 2 1 PHE QE 6.300 . 6.300 4.935 4.039 5.618 . 0 0 "[ . 1 . ]" 1
374 2 6 LEU HA 2 6 LEU HG 3.700 . 3.700 3.394 2.187 3.744 0.044 10 0 "[ . 1 . ]" 1
375 2 11 LEU HA 2 11 LEU MD1 3.700 . 3.700 2.640 2.086 3.119 . 0 0 "[ . 1 . ]" 1
376 2 11 LEU HA 2 11 LEU HG 3.400 . 3.400 2.114 1.946 2.531 . 0 0 "[ . 1 . ]" 1
377 2 12 VAL H 2 12 VAL HB 3.700 . 3.700 3.634 3.608 3.642 . 0 0 "[ . 1 . ]" 1
378 2 15 LEU HA 2 15 LEU HG 4.300 . 4.300 3.599 3.492 3.714 . 0 0 "[ . 1 . ]" 1
379 2 15 LEU H 2 15 LEU HG 3.700 . 3.700 3.604 3.238 3.770 0.070 18 0 "[ . 1 . ]" 1
380 2 16 TYR HA 2 16 TYR QD 5.400 . 5.400 2.534 2.005 3.130 . 0 0 "[ . 1 . ]" 1
381 2 16 TYR H 2 16 TYR QB 3.700 . 3.700 2.246 2.139 2.297 . 0 0 "[ . 1 . ]" 1
382 2 17 LEU HA 2 17 LEU MD2 3.700 . 3.700 2.403 2.201 2.524 . 0 0 "[ . 1 . ]" 1
383 2 17 LEU HA 2 17 LEU HG 3.400 . 3.400 3.477 3.452 3.520 0.120 15 0 "[ . 1 . ]" 1
384 2 17 LEU H 2 17 LEU HG 5.000 . 5.000 1.793 1.712 1.856 . 0 0 "[ . 1 . ]" 1
385 2 18 VAL HA 2 18 VAL HB 2.700 . 2.700 2.366 2.340 2.383 . 0 0 "[ . 1 . ]" 1
386 2 18 VAL H 2 18 VAL HB 3.700 . 3.700 3.591 3.569 3.642 . 0 0 "[ . 1 . ]" 1
387 2 26 TYR HB3 2 26 TYR QD 5.700 3.000 5.700 2.585 2.434 2.880 0.566 13 8 "[* * - * 1 +*.** ]" 1
388 2 26 TYR HB2 2 26 TYR QD 5.700 3.000 5.700 2.665 2.448 2.894 0.552 9 4 "[ . * +1* - ]" 1
389 2 27 THR HA 2 27 THR MG 3.700 . 3.700 2.349 2.022 2.683 . 0 0 "[ . 1 . ]" 1
390 2 28 LYS HA 2 28 LYS QD 4.400 . 4.400 3.559 2.790 4.020 . 0 0 "[ . 1 . ]" 1
391 2 29 PRO HA 2 29 PRO QD 3.700 . 3.700 3.469 3.435 3.478 . 0 0 "[ . 1 . ]" 1
392 2 29 PRO HA 2 29 PRO HG2 4.400 . 4.400 3.993 3.971 4.001 . 0 0 "[ . 1 . ]" 1
393 2 30 THR H 2 30 THR HB 4.300 . 4.300 3.581 2.578 4.010 . 0 0 "[ . 1 . ]" 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 38
_Distance_constraint_stats_list.Viol_count 82
_Distance_constraint_stats_list.Viol_total 40.063
_Distance_constraint_stats_list.Viol_max 0.065
_Distance_constraint_stats_list.Viol_rms 0.0106
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0033
_Distance_constraint_stats_list.Viol_average_violations_only 0.0271
_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 SER 0.260 0.058 1 0 "[ . 1 . ]"
1 13 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 14 TYR 0.238 0.036 2 0 "[ . 1 . ]"
1 15 GLN 0.000 0.000 . 0 "[ . 1 . ]"
1 16 LEU 0.112 0.058 1 0 "[ . 1 . ]"
1 17 GLU 0.313 0.043 1 0 "[ . 1 . ]"
1 18 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 19 TYR 0.000 0.000 . 0 "[ . 1 . ]"
1 20 CYS 0.223 0.043 1 0 "[ . 1 . ]"
2 7 CYS 0.737 0.063 11 0 "[ . 1 . ]"
2 8 GLY 0.384 0.065 17 0 "[ . 1 . ]"
2 9 SER 0.000 0.000 . 0 "[ . 1 . ]"
2 10 ASP 0.072 0.021 14 0 "[ . 1 . ]"
2 11 LEU 0.718 0.063 11 0 "[ . 1 . ]"
2 12 VAL 0.331 0.065 17 0 "[ . 1 . ]"
2 13 GLU 0.043 0.021 14 0 "[ . 1 . ]"
2 14 ALA 0.000 0.000 . 0 "[ . 1 . ]"
2 15 LEU 0.489 0.063 4 0 "[ . 1 . ]"
2 16 TYR 0.000 0.000 . 0 "[ . 1 . ]"
2 17 LEU 0.043 0.021 14 0 "[ . 1 . ]"
2 18 VAL 0.000 0.000 . 0 "[ . 1 . ]"
2 19 CYS 0.489 0.063 4 0 "[ . 1 . ]"
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 SER O 1 14 TYR H 2.600 . 2.600 2.577 2.478 2.636 0.036 2 0 "[ . 1 . ]" 2
2 1 12 SER O 1 14 TYR N 3.300 . 3.300 2.588 2.509 2.678 . 0 0 "[ . 1 . ]" 2
3 1 12 SER O 1 15 GLN H 2.600 . 2.600 2.059 1.687 2.341 . 0 0 "[ . 1 . ]" 2
4 1 12 SER O 1 15 GLN N 3.300 . 3.300 2.660 2.479 2.827 . 0 0 "[ . 1 . ]" 2
5 1 12 SER O 1 16 LEU H 2.600 . 2.600 2.241 1.909 2.464 . 0 0 "[ . 1 . ]" 2
6 1 12 SER O 1 16 LEU N 3.300 . 3.300 3.184 2.863 3.358 0.058 1 0 "[ . 1 . ]" 2
7 1 13 LEU O 1 17 GLU H 2.600 . 2.600 1.985 1.630 2.381 . 0 0 "[ . 1 . ]" 2
8 1 13 LEU O 1 17 GLU N 3.300 . 3.300 2.855 2.515 3.242 . 0 0 "[ . 1 . ]" 2
9 1 14 TYR O 1 17 GLU H 2.600 . 2.600 2.471 2.271 2.635 0.035 17 0 "[ . 1 . ]" 2
10 1 14 TYR O 1 17 GLU N 3.300 . 3.300 3.039 2.853 3.223 . 0 0 "[ . 1 . ]" 2
11 1 15 GLN O 1 18 ASN H 2.600 . 2.600 2.079 1.669 2.539 . 0 0 "[ . 1 . ]" 2
12 1 15 GLN O 1 18 ASN N 3.300 . 3.300 2.867 2.524 3.239 . 0 0 "[ . 1 . ]" 2
13 1 16 LEU O 1 19 TYR H 2.600 . 2.600 1.933 1.658 2.249 . 0 0 "[ . 1 . ]" 2
14 1 16 LEU O 1 19 TYR N 3.300 . 3.300 2.685 2.417 2.921 . 0 0 "[ . 1 . ]" 2
15 1 17 GLU O 1 20 CYS H 2.600 . 2.600 2.456 2.272 2.614 0.014 10 0 "[ . 1 . ]" 2
16 1 17 GLU O 1 20 CYS N 3.300 . 3.300 3.291 3.181 3.343 0.043 1 0 "[ . 1 . ]" 2
17 2 7 CYS O 2 10 ASP H 2.600 . 2.600 2.418 1.895 2.621 0.021 14 0 "[ . 1 . ]" 2
18 2 7 CYS O 2 10 ASP N 3.300 . 3.300 2.847 2.532 2.988 . 0 0 "[ . 1 . ]" 2
19 2 7 CYS O 2 11 LEU H 2.600 . 2.600 2.411 1.607 2.550 . 0 0 "[ . 1 . ]" 2
20 2 7 CYS O 2 11 LEU N 3.300 . 3.300 3.284 2.410 3.363 0.063 11 0 "[ . 1 . ]" 2
21 2 8 GLY O 2 11 LEU H 2.600 . 2.600 2.103 1.628 2.630 0.030 1 0 "[ . 1 . ]" 2
22 2 8 GLY O 2 11 LEU N 3.300 . 3.300 2.794 2.442 3.284 . 0 0 "[ . 1 . ]" 2
23 2 8 GLY O 2 12 VAL H 2.600 . 2.600 2.375 2.075 2.608 0.008 12 0 "[ . 1 . ]" 2
24 2 8 GLY O 2 12 VAL N 3.300 . 3.300 3.235 2.905 3.365 0.065 17 0 "[ . 1 . ]" 2
25 2 9 SER O 2 13 GLU H 2.600 . 2.600 1.773 1.611 2.337 . 0 0 "[ . 1 . ]" 2
26 2 9 SER O 2 13 GLU N 3.300 . 3.300 2.686 2.525 3.172 . 0 0 "[ . 1 . ]" 2
27 2 10 ASP O 2 14 ALA H 2.600 . 2.600 1.726 1.458 2.141 . 0 0 "[ . 1 . ]" 2
28 2 10 ASP O 2 14 ALA N 3.300 . 3.300 2.676 2.428 3.098 . 0 0 "[ . 1 . ]" 2
29 2 11 LEU O 2 15 LEU H 2.600 . 2.600 1.780 1.477 2.253 . 0 0 "[ . 1 . ]" 2
30 2 11 LEU O 2 15 LEU N 3.300 . 3.300 2.721 2.431 3.186 . 0 0 "[ . 1 . ]" 2
31 2 12 VAL O 2 16 TYR H 2.600 . 2.600 2.185 1.615 2.389 . 0 0 "[ . 1 . ]" 2
32 2 12 VAL O 2 16 TYR N 3.300 . 3.300 2.848 2.363 3.026 . 0 0 "[ . 1 . ]" 2
33 2 13 GLU O 2 17 LEU H 2.600 . 2.600 2.396 2.108 2.621 0.021 14 0 "[ . 1 . ]" 2
34 2 13 GLU O 2 17 LEU N 3.300 . 3.300 2.965 2.713 3.157 . 0 0 "[ . 1 . ]" 2
35 2 14 ALA O 2 18 VAL H 2.600 . 2.600 2.154 2.033 2.340 . 0 0 "[ . 1 . ]" 2
36 2 14 ALA O 2 18 VAL N 3.300 . 3.300 3.098 2.965 3.258 . 0 0 "[ . 1 . ]" 2
37 2 15 LEU O 2 19 CYS H 2.600 . 2.600 2.498 2.265 2.608 0.008 15 0 "[ . 1 . ]" 2
38 2 15 LEU O 2 19 CYS N 3.300 . 3.300 3.295 2.940 3.363 0.063 4 0 "[ . 1 . ]" 2
stop_
save_
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