NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
579535 |
2mny   |
19913 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mny
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 565
_Distance_constraint_stats_list.Viol_count 1478
_Distance_constraint_stats_list.Viol_total 7051.050
_Distance_constraint_stats_list.Viol_max 1.620
_Distance_constraint_stats_list.Viol_rms 0.1369
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0312
_Distance_constraint_stats_list.Viol_average_violations_only 0.2385
_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 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 VAL 0.779 0.129 16 0 "[ . 1 . 2]"
1 3 ASP 5.029 0.631 6 2 "[ .+ 1 . - 2]"
1 4 LEU 7.210 0.631 6 3 "[ .+ 1 - * 2]"
1 5 TYR 39.218 0.952 18 20 [********-********+**]
1 6 VAL 18.443 0.952 18 19 [****.-***********+**]
1 7 CYS 21.310 1.015 4 15 "[-**+* * ****** ***2]"
1 8 LEU 1.632 0.107 5 0 "[ . 1 . 2]"
1 9 LEU 42.388 1.067 14 19 "[*******-*****+* ****]"
1 10 CYS 9.207 0.464 6 0 "[ . 1 . 2]"
1 11 GLY 4.351 0.732 6 1 "[ .+ 1 . 2]"
1 12 SER 18.506 1.513 6 8 "[ ***.+ 1** . *-2]"
1 13 GLY 10.011 0.836 14 9 "[ -*. ** *+* **2]"
1 14 ASN 21.127 1.513 6 18 "[*****+ ******-* ****]"
1 15 ASP 2.086 0.110 4 0 "[ . 1 . 2]"
1 16 GLU 1.870 0.166 13 0 "[ . 1 . 2]"
1 17 ASP 2.610 0.102 7 0 "[ . 1 . 2]"
1 18 ARG 28.084 1.534 15 17 "[*** *****1****+** -*]"
1 19 LEU 15.285 1.032 8 18 "[****** +*****-* ****]"
1 20 LEU 4.811 0.340 10 0 "[ . 1 . 2]"
1 21 LEU 22.288 0.593 6 20 [*****+**-***********]
1 22 CYS 37.925 1.620 5 20 [****+************-**]
1 23 ASP 0.853 0.066 1 0 "[ . 1 . 2]"
1 24 GLY 1.377 0.051 2 0 "[ . 1 . 2]"
1 25 CYS 10.446 0.509 14 3 "[ . * 1 -+. 2]"
1 26 ASP 37.155 1.620 5 20 [****+************-**]
1 27 ASP 8.426 0.901 6 3 "[ -+ 1 * . 2]"
1 28 SER 6.379 0.369 15 0 "[ . 1 . 2]"
1 29 TYR 22.190 1.067 14 18 "[*******- ****+* ****]"
1 30 HIS 11.837 1.015 4 12 "[-* +* * **** . ***2]"
1 31 THR 13.844 0.911 3 18 "[**+*.****** ******-*]"
1 32 PHE 52.050 1.534 15 20 [**************+**-**]
1 33 CYS 10.462 0.574 2 11 "[*+* * * -* * . ** *]"
1 34 LEU 26.992 0.727 15 20 [*****-********+*****]
1 35 ILE 4.786 0.256 19 0 "[ . 1 . 2]"
1 36 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 LEU 9.039 1.215 14 7 "[ *.** * +. *-2]"
1 39 HIS 4.145 0.555 19 1 "[ . 1 . +2]"
1 40 ASP 9.898 1.215 14 7 "[ *.** * +. *-2]"
1 41 VAL 12.420 0.797 12 14 "[ ****** * +*-.** **]"
1 42 PRO 0.265 0.128 7 0 "[ . 1 . 2]"
1 43 LYS 10.274 0.677 4 9 "[ *+. *1 ** ** * -]"
1 44 GLY 9.956 0.677 4 9 "[ *+. *1 ** ** * -]"
1 45 ASP 5.350 0.413 10 0 "[ . 1 . 2]"
1 46 TRP 14.268 0.637 3 10 "[* + . **1 -* ** **]"
1 47 ARG 10.171 0.637 3 10 "[* + . **1 -* ** **]"
1 48 CYS 1.864 0.452 11 0 "[ . 1 . 2]"
1 49 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 LYS 8.777 0.256 12 0 "[ . 1 . 2]"
1 51 CYS 1.433 0.082 17 0 "[ . 1 . 2]"
1 52 LEU 3.241 0.452 11 0 "[ . 1 . 2]"
1 53 ALA 1.213 0.043 17 0 "[ . 1 . 2]"
1 54 GLN 1.074 0.035 17 0 "[ . 1 . 2]"
1 55 GLU 1.752 0.154 20 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 ALA MB 1 2 VAL H 1.800 . 6.000 2.857 1.936 3.714 . 0 0 "[ . 1 . 2]" 1
2 1 2 VAL H 1 2 VAL HB 1.800 . 3.500 2.806 2.360 3.629 0.129 16 0 "[ . 1 . 2]" 1
3 1 2 VAL H 1 2 VAL QG 1.800 . 3.500 2.143 1.784 2.375 0.016 6 0 "[ . 1 . 2]" 1
4 1 2 VAL HA 1 2 VAL QG 1.800 . 2.900 2.148 2.028 2.357 . 0 0 "[ . 1 . 2]" 1
5 1 2 VAL H 1 3 ASP H 1.800 . 3.500 2.668 2.520 2.743 . 0 0 "[ . 1 . 2]" 1
6 1 3 ASP H 1 3 ASP QB 1.800 . 3.500 2.517 2.263 3.313 . 0 0 "[ . 1 . 2]" 1
7 1 2 VAL HA 1 3 ASP H 1.800 . 6.000 3.535 3.473 3.564 . 0 0 "[ . 1 . 2]" 1
8 1 2 VAL QG 1 3 ASP H 1.800 . 3.500 2.784 1.845 3.236 . 0 0 "[ . 1 . 2]" 1
9 1 2 VAL HB 1 3 ASP H 1.800 . 6.000 3.103 2.575 4.058 . 0 0 "[ . 1 . 2]" 1
10 1 3 ASP HA 1 4 LEU QB 1.800 . 6.000 4.648 4.172 5.184 . 0 0 "[ . 1 . 2]" 1
11 1 4 LEU H 1 4 LEU HA 1.800 . 2.900 2.844 2.803 2.947 0.047 15 0 "[ . 1 . 2]" 1
12 1 4 LEU H 1 4 LEU HG 1.800 . 6.000 3.120 1.962 4.501 . 0 0 "[ . 1 . 2]" 1
13 1 4 LEU H 1 4 LEU QD 1.800 . 6.000 3.196 2.779 3.662 . 0 0 "[ . 1 . 2]" 1
14 1 4 LEU HA 1 4 LEU QD 1.800 . 5.000 2.143 2.037 3.346 . 0 0 "[ . 1 . 2]" 1
15 1 4 LEU HB3 1 4 LEU QD 1.800 . 3.500 2.144 2.017 2.296 . 0 0 "[ . 1 . 2]" 1
16 1 4 LEU HB2 1 4 LEU QD 1.800 . 3.500 2.183 2.024 2.378 . 0 0 "[ . 1 . 2]" 1
17 1 4 LEU H 1 4 LEU HB3 1.800 . 3.500 3.172 2.610 3.619 0.119 12 0 "[ . 1 . 2]" 1
18 1 3 ASP HA 1 4 LEU H 1.800 . 2.900 2.566 2.190 3.531 0.631 6 2 "[ .+ 1 . - 2]" 1
19 1 3 ASP QB 1 4 LEU H 1.800 . 3.500 3.285 2.674 3.939 0.439 2 0 "[ . 1 . 2]" 1
20 1 4 LEU H 1 5 TYR H 1.800 . 2.900 2.771 2.670 3.511 0.611 15 1 "[ . 1 + 2]" 1
21 1 5 TYR H 1 5 TYR HA 1.800 . 2.900 2.954 2.345 2.989 0.089 6 0 "[ . 1 . 2]" 1
22 1 5 TYR H 1 5 TYR QD 1.800 . 3.500 3.414 3.031 4.083 0.583 6 2 "[ .+ -1 . 2]" 1
23 1 5 TYR HA 1 5 TYR QD 1.800 . 3.500 2.776 2.299 2.982 . 0 0 "[ . 1 . 2]" 1
24 1 4 LEU HA 1 5 TYR H 1.800 . 6.000 3.483 2.322 3.559 . 0 0 "[ . 1 . 2]" 1
25 1 4 LEU QB 1 5 TYR H 1.800 . 3.500 2.687 2.575 3.807 0.307 15 0 "[ . 1 . 2]" 1
26 1 5 TYR H 1 6 VAL H 1.800 . 3.500 4.374 3.745 4.452 0.952 18 19 [****.-***********+**] 1
27 1 5 TYR QB 1 19 LEU QD 1.800 . 5.000 2.323 2.043 3.448 . 0 0 "[ . 1 . 2]" 1
28 1 5 TYR HB3 1 21 LEU QD 1.800 . 6.000 4.516 3.701 5.295 . 0 0 "[ . 1 . 2]" 1
29 1 5 TYR HB2 1 21 LEU QD 1.800 . 6.000 5.062 4.133 5.953 . 0 0 "[ . 1 . 2]" 1
30 1 6 VAL H 1 6 VAL QG 1.800 . 2.900 2.026 1.929 2.092 . 0 0 "[ . 1 . 2]" 1
31 1 6 VAL HA 1 6 VAL QG 1.800 . 2.900 2.297 2.246 2.374 . 0 0 "[ . 1 . 2]" 1
32 1 5 TYR HA 1 6 VAL H 1.800 . 2.900 2.188 2.161 2.215 . 0 0 "[ . 1 . 2]" 1
33 1 5 TYR QB 1 6 VAL H 1.800 . 6.000 3.302 3.157 3.676 . 0 0 "[ . 1 . 2]" 1
34 1 5 TYR QD 1 6 VAL H 1.800 . 6.000 3.452 2.489 3.923 . 0 0 "[ . 1 . 2]" 1
35 1 6 VAL H 1 28 SER QB 1.800 . 6.000 4.081 3.598 4.356 . 0 0 "[ . 1 . 2]" 1
36 1 5 TYR HA 1 6 VAL HA 1.800 . 6.000 4.461 4.447 4.470 . 0 0 "[ . 1 . 2]" 1
37 1 6 VAL HA 1 7 CYS HA 1.800 . 6.000 4.388 4.376 4.402 . 0 0 "[ . 1 . 2]" 1
38 1 6 VAL HB 1 11 GLY QA 1.800 . 6.000 2.566 2.214 4.512 . 0 0 "[ . 1 . 2]" 1
39 1 7 CYS H 1 7 CYS HA 1.800 . 2.900 2.925 2.892 2.950 0.050 1 0 "[ . 1 . 2]" 1
40 1 7 CYS H 1 7 CYS HB2 1.800 . 3.500 2.812 2.652 2.899 . 0 0 "[ . 1 . 2]" 1
41 1 6 VAL H 1 7 CYS H 1.800 . 6.000 4.473 4.422 4.490 . 0 0 "[ . 1 . 2]" 1
42 1 6 VAL HA 1 7 CYS H 1.800 . 2.900 2.412 2.308 2.484 . 0 0 "[ . 1 . 2]" 1
43 1 6 VAL HB 1 7 CYS H 1.800 . 6.000 2.708 2.409 4.092 . 0 0 "[ . 1 . 2]" 1
44 1 6 VAL QG 1 7 CYS H 1.800 . 6.000 3.151 2.061 3.283 . 0 0 "[ . 1 . 2]" 1
45 1 7 CYS H 1 8 LEU H 1.800 . 6.000 4.462 4.365 4.515 . 0 0 "[ . 1 . 2]" 1
46 1 7 CYS H 1 9 LEU H 1.800 . 6.000 5.709 5.644 5.766 . 0 0 "[ . 1 . 2]" 1
47 1 7 CYS H 1 19 LEU QD 1.800 . 3.500 2.766 2.363 3.352 . 0 0 "[ . 1 . 2]" 1
48 1 7 CYS H 1 29 TYR HA 1.800 . 6.000 5.762 5.441 6.000 0.000 12 0 "[ . 1 . 2]" 1
49 1 7 CYS H 1 30 HIS H 1.800 . 6.000 6.581 6.110 7.015 1.015 4 12 "[-* +* * **** . ***2]" 1
50 1 7 CYS HA 1 8 LEU QD 1.800 . 6.000 4.174 2.992 5.214 . 0 0 "[ . 1 . 2]" 1
51 1 7 CYS HA 1 9 LEU QB 1.800 . 6.000 5.084 4.919 5.173 . 0 0 "[ . 1 . 2]" 1
52 1 7 CYS HA 1 29 TYR HA 1.800 . 3.500 3.294 2.913 3.535 0.035 18 0 "[ . 1 . 2]" 1
53 1 7 CYS QB 1 9 LEU QB 1.800 . 6.000 4.159 4.047 4.275 . 0 0 "[ . 1 . 2]" 1
54 1 7 CYS HB3 1 9 LEU H 1.800 . 6.000 4.439 4.257 4.635 . 0 0 "[ . 1 . 2]" 1
55 1 7 CYS HB2 1 9 LEU H 1.800 . 6.000 4.766 4.659 4.823 . 0 0 "[ . 1 . 2]" 1
56 1 8 LEU H 1 8 LEU HB3 1.800 . 3.500 3.357 2.614 3.607 0.107 5 0 "[ . 1 . 2]" 1
57 1 8 LEU H 1 8 LEU HB2 1.800 . 3.500 2.528 2.314 2.623 . 0 0 "[ . 1 . 2]" 1
58 1 8 LEU H 1 8 LEU QD 1.800 . 5.000 2.840 1.749 3.664 0.051 20 0 "[ . 1 . 2]" 1
59 1 8 LEU QB 1 8 LEU QD 1.800 . 2.900 1.925 1.889 1.995 . 0 0 "[ . 1 . 2]" 1
60 1 8 LEU HA 1 8 LEU QD 1.800 . 3.500 2.082 1.960 2.780 . 0 0 "[ . 1 . 2]" 1
61 1 7 CYS HA 1 8 LEU H 1.800 . 3.500 2.196 2.179 2.214 . 0 0 "[ . 1 . 2]" 1
62 1 7 CYS QB 1 8 LEU H 1.800 . 6.000 3.889 3.842 3.949 . 0 0 "[ . 1 . 2]" 1
63 1 8 LEU H 1 9 LEU H 1.800 . 3.500 2.718 2.669 2.855 . 0 0 "[ . 1 . 2]" 1
64 1 8 LEU H 1 9 LEU HA 1.800 . 6.000 5.350 5.314 5.457 . 0 0 "[ . 1 . 2]" 1
65 1 8 LEU H 1 29 TYR HA 1.800 . 5.000 3.926 3.623 4.223 . 0 0 "[ . 1 . 2]" 1
66 1 8 LEU H 1 29 TYR QB 1.800 . 6.000 4.692 4.500 4.901 . 0 0 "[ . 1 . 2]" 1
67 1 8 LEU H 1 29 TYR QD 1.800 . 6.000 5.726 5.117 6.032 0.032 6 0 "[ . 1 . 2]" 1
68 1 9 LEU H 1 9 LEU HA 1.800 . 2.900 2.853 2.832 2.873 . 0 0 "[ . 1 . 2]" 1
69 1 9 LEU H 1 9 LEU HB3 1.800 . 3.500 3.598 3.586 3.612 0.112 15 0 "[ . 1 . 2]" 1
70 1 9 LEU H 1 9 LEU HB2 1.800 . 3.500 2.562 2.515 2.610 . 0 0 "[ . 1 . 2]" 1
71 1 9 LEU H 1 9 LEU MD2 1.800 . 6.000 2.962 2.759 3.107 . 0 0 "[ . 1 . 2]" 1
72 1 9 LEU H 1 9 LEU MD1 1.800 . 6.000 3.582 3.493 3.724 . 0 0 "[ . 1 . 2]" 1
73 1 9 LEU HA 1 9 LEU MD1 1.800 . 5.000 3.767 3.713 3.796 . 0 0 "[ . 1 . 2]" 1
74 1 9 LEU HA 1 9 LEU MD2 1.800 . 5.000 2.040 2.006 2.077 . 0 0 "[ . 1 . 2]" 1
75 1 9 LEU HB3 1 9 LEU MD2 1.800 . 2.900 2.330 2.261 2.473 . 0 0 "[ . 1 . 2]" 1
76 1 9 LEU HB3 1 9 LEU MD1 1.800 . 2.900 2.289 2.203 2.368 . 0 0 "[ . 1 . 2]" 1
77 1 9 LEU HB2 1 9 LEU QD 1.800 . 2.900 2.344 2.297 2.418 . 0 0 "[ . 1 . 2]" 1
78 1 9 LEU HA 1 9 LEU HG 1.800 . 3.500 3.156 3.072 3.309 . 0 0 "[ . 1 . 2]" 1
79 1 9 LEU H 1 9 LEU HG 1.800 . 6.000 2.001 1.890 2.111 . 0 0 "[ . 1 . 2]" 1
80 1 8 LEU HA 1 9 LEU H 1.800 . 6.000 3.541 3.521 3.557 . 0 0 "[ . 1 . 2]" 1
81 1 9 LEU H 1 10 CYS H 1.800 . 2.900 2.684 2.654 2.777 . 0 0 "[ . 1 . 2]" 1
82 1 9 LEU H 1 10 CYS HA 1.800 . 6.000 5.328 5.281 5.362 . 0 0 "[ . 1 . 2]" 1
83 1 9 LEU H 1 10 CYS QB 1.800 . 6.000 5.100 4.913 5.312 . 0 0 "[ . 1 . 2]" 1
84 1 9 LEU H 1 29 TYR HA 1.800 . 6.000 3.749 3.540 3.933 . 0 0 "[ . 1 . 2]" 1
85 1 9 LEU H 1 29 TYR QB 1.800 . 6.000 3.999 3.663 4.254 . 0 0 "[ . 1 . 2]" 1
86 1 9 LEU H 1 29 TYR QD 1.800 . 6.000 5.713 5.219 6.005 0.005 4 0 "[ . 1 . 2]" 1
87 1 7 CYS QB 1 9 LEU HA 1.800 . 6.000 5.919 5.765 6.070 0.070 8 0 "[ . 1 . 2]" 1
88 1 9 LEU QB 1 29 TYR QD 1.800 . 6.000 5.609 5.308 5.911 . 0 0 "[ . 1 . 2]" 1
89 1 9 LEU HB3 1 10 CYS H 1.800 . 3.500 3.830 3.719 3.964 0.464 6 0 "[ . 1 . 2]" 1
90 1 9 LEU HB2 1 10 CYS H 1.800 . 3.500 2.734 2.610 2.911 . 0 0 "[ . 1 . 2]" 1
91 1 9 LEU HB3 1 29 TYR QB 1.800 . 6.000 4.788 4.486 5.201 . 0 0 "[ . 1 . 2]" 1
92 1 9 LEU HB2 1 29 TYR QB 1.800 . 6.000 3.920 3.544 4.246 . 0 0 "[ . 1 . 2]" 1
93 1 9 LEU QB 1 33 CYS QB 1.800 . 6.000 3.251 2.258 4.026 . 0 0 "[ . 1 . 2]" 1
94 1 9 LEU HG 1 29 TYR QB 1.800 . 6.000 2.824 2.443 3.160 . 0 0 "[ . 1 . 2]" 1
95 1 9 LEU HG 1 29 TYR QE 1.800 . 6.000 6.774 6.251 7.067 1.067 14 18 "[*******- ****+* ****]" 1
96 1 9 LEU QD 1 10 CYS QB 1.800 . 6.000 5.114 4.602 5.352 . 0 0 "[ . 1 . 2]" 1
97 1 9 LEU QD 1 29 TYR QE 1.800 . 6.000 5.108 4.784 5.549 . 0 0 "[ . 1 . 2]" 1
98 1 9 LEU QD 1 34 LEU HA 1.800 . 2.900 3.347 3.018 3.627 0.727 15 8 "[ **.- ** * *+ 2]" 1
99 1 8 LEU H 1 10 CYS H 1.800 . 6.000 4.228 4.166 4.308 . 0 0 "[ . 1 . 2]" 1
100 1 9 LEU HA 1 10 CYS H 1.800 . 3.500 3.539 3.514 3.553 0.053 10 0 "[ . 1 . 2]" 1
101 1 9 LEU QD 1 10 CYS H 1.800 . 6.000 4.094 4.031 4.178 . 0 0 "[ . 1 . 2]" 1
102 1 10 CYS H 1 11 GLY QA 1.800 . 6.000 3.920 3.706 4.088 . 0 0 "[ . 1 . 2]" 1
103 1 10 CYS H 1 29 TYR HA 1.800 . 6.000 4.947 4.753 5.157 . 0 0 "[ . 1 . 2]" 1
104 1 11 GLY H 1 11 GLY HA3 1.800 . 2.900 2.929 2.783 2.972 0.072 5 0 "[ . 1 . 2]" 1
105 1 11 GLY H 1 11 GLY HA2 1.800 . 2.900 2.386 2.354 2.436 . 0 0 "[ . 1 . 2]" 1
106 1 6 VAL HB 1 11 GLY H 1.800 . 6.000 4.555 3.914 6.055 0.055 7 0 "[ . 1 . 2]" 1
107 1 6 VAL QG 1 11 GLY H 1.800 . 6.000 4.269 2.884 4.869 . 0 0 "[ . 1 . 2]" 1
108 1 7 CYS H 1 11 GLY H 1.800 . 6.000 3.244 2.922 4.702 . 0 0 "[ . 1 . 2]" 1
109 1 7 CYS QB 1 11 GLY H 1.800 . 5.000 2.045 1.737 3.723 0.063 2 0 "[ . 1 . 2]" 1
110 1 9 LEU QB 1 11 GLY H 1.800 . 6.000 4.611 4.260 4.889 . 0 0 "[ . 1 . 2]" 1
111 1 9 LEU QD 1 11 GLY H 1.800 . 6.000 5.615 5.379 5.776 . 0 0 "[ . 1 . 2]" 1
112 1 10 CYS HA 1 11 GLY H 1.800 . 3.500 3.542 3.007 3.580 0.080 7 0 "[ . 1 . 2]" 1
113 1 11 GLY H 1 12 SER H 1.800 . 2.900 2.471 2.187 3.632 0.732 6 1 "[ .+ 1 . 2]" 1
114 1 6 VAL QG 1 11 GLY HA3 1.800 . 3.500 3.490 3.119 3.577 0.077 3 0 "[ . 1 . 2]" 1
115 1 6 VAL QG 1 11 GLY HA2 1.800 . 6.000 2.724 2.002 3.573 . 0 0 "[ . 1 . 2]" 1
116 1 11 GLY HA3 1 12 SER H 1.800 . 3.500 3.511 3.311 3.575 0.075 11 0 "[ . 1 . 2]" 1
117 1 11 GLY HA2 1 12 SER H 1.800 . 3.500 2.852 2.249 3.260 . 0 0 "[ . 1 . 2]" 1
118 1 12 SER H 1 12 SER HA 1.800 . 2.900 2.920 2.838 2.990 0.090 7 0 "[ . 1 . 2]" 1
119 1 12 SER H 1 12 SER HB3 1.800 . 3.500 2.917 2.521 3.702 0.202 10 0 "[ . 1 . 2]" 1
120 1 12 SER H 1 12 SER HB2 1.800 . 3.500 2.760 2.146 3.769 0.269 7 0 "[ . 1 . 2]" 1
121 1 6 VAL HB 1 12 SER H 1.800 . 6.000 4.178 1.898 5.513 . 0 0 "[ . 1 . 2]" 1
122 1 6 VAL QG 1 12 SER H 1.800 . 6.000 4.427 2.631 5.334 . 0 0 "[ . 1 . 2]" 1
123 1 7 CYS H 1 12 SER H 1.800 . 3.500 3.170 1.729 3.675 0.175 8 0 "[ . 1 . 2]" 1
124 1 7 CYS QB 1 12 SER H 1.800 . 3.500 2.811 2.425 3.281 . 0 0 "[ . 1 . 2]" 1
125 1 9 LEU QB 1 12 SER H 1.800 . 6.000 6.417 6.072 6.555 0.555 6 5 "[ * *.+ 1 * . -2]" 1
126 1 12 SER H 1 13 GLY H 1.800 . 6.000 3.811 2.705 4.671 . 0 0 "[ . 1 . 2]" 1
127 1 12 SER H 1 19 LEU QD 1.800 . 6.000 4.859 3.887 5.425 . 0 0 "[ . 1 . 2]" 1
128 1 7 CYS H 1 12 SER HB2 1.800 . 6.000 5.398 2.071 6.048 0.048 4 0 "[ . 1 . 2]" 1
129 1 7 CYS H 1 12 SER HB3 1.800 . 6.000 5.303 3.143 6.020 0.020 12 0 "[ . 1 . 2]" 1
130 1 10 CYS H 1 12 SER QB 1.800 . 6.000 5.834 5.431 6.230 0.230 7 0 "[ . 1 . 2]" 1
131 1 6 VAL HB 1 13 GLY H 1.800 . 5.000 4.820 4.166 5.148 0.148 6 0 "[ . 1 . 2]" 1
132 1 6 VAL QG 1 13 GLY H 1.800 . 5.000 4.336 3.286 5.017 0.017 6 0 "[ . 1 . 2]" 1
133 1 7 CYS H 1 13 GLY H 1.800 . 5.000 4.935 3.704 5.836 0.836 14 9 "[ -*. ** *+* **2]" 1
134 1 12 SER HA 1 13 GLY H 1.800 . 3.500 2.782 2.179 3.554 0.054 2 0 "[ . 1 . 2]" 1
135 1 12 SER HB2 1 13 GLY H 1.800 . 6.000 3.714 2.466 4.410 . 0 0 "[ . 1 . 2]" 1
136 1 12 SER HB3 1 13 GLY H 1.800 . 6.000 3.191 1.985 4.277 . 0 0 "[ . 1 . 2]" 1
137 1 13 GLY H 1 14 ASN H 1.800 . 2.900 2.651 2.042 3.073 0.173 1 0 "[ . 1 . 2]" 1
138 1 13 GLY H 1 14 ASN QB 1.800 . 6.000 4.650 3.844 5.355 . 0 0 "[ . 1 . 2]" 1
139 1 13 GLY H 1 19 LEU QD 1.800 . 6.000 5.665 4.823 6.209 0.209 15 0 "[ . 1 . 2]" 1
140 1 6 VAL QG 1 13 GLY QA 1.800 . 6.000 3.238 2.595 4.251 . 0 0 "[ . 1 . 2]" 1
141 1 14 ASN H 1 14 ASN HA 1.800 . 2.900 2.880 2.811 2.987 0.087 16 0 "[ . 1 . 2]" 1
142 1 14 ASN H 1 14 ASN QD 1.800 . 6.000 4.206 3.315 4.650 . 0 0 "[ . 1 . 2]" 1
143 1 14 ASN HA 1 14 ASN HD21 1.800 . 6.000 3.920 3.628 4.242 . 0 0 "[ . 1 . 2]" 1
144 1 12 SER QB 1 14 ASN H 1.800 . 3.500 3.419 2.495 5.013 1.513 6 4 "[ * .+ 1* . - 2]" 1
145 1 13 GLY QA 1 14 ASN H 1.800 . 3.500 2.718 2.293 2.874 . 0 0 "[ . 1 . 2]" 1
146 1 14 ASN H 1 19 LEU QD 1.800 . 6.000 6.698 6.126 7.032 1.032 8 18 "[****** +*****-* ****]" 1
147 1 15 ASP H 1 15 ASP HA 1.800 . 2.900 2.890 2.848 2.931 0.031 20 0 "[ . 1 . 2]" 1
148 1 15 ASP H 1 15 ASP HB3 1.800 . 3.500 3.444 2.455 3.606 0.106 6 0 "[ . 1 . 2]" 1
149 1 15 ASP H 1 15 ASP HB2 1.800 . 3.500 2.597 2.350 3.610 0.110 4 0 "[ . 1 . 2]" 1
150 1 14 ASN H 1 15 ASP H 1.800 . 6.000 2.555 2.046 2.810 . 0 0 "[ . 1 . 2]" 1
151 1 14 ASN HA 1 15 ASP H 1.800 . 5.000 3.431 2.973 3.544 . 0 0 "[ . 1 . 2]" 1
152 1 14 ASN QB 1 15 ASP H 1.800 . 5.000 3.153 2.551 4.012 . 0 0 "[ . 1 . 2]" 1
153 1 15 ASP H 1 16 GLU H 1.800 . 3.500 2.557 2.405 2.700 . 0 0 "[ . 1 . 2]" 1
154 1 15 ASP H 1 16 GLU QB 1.800 . 6.000 4.415 4.163 4.866 . 0 0 "[ . 1 . 2]" 1
155 1 15 ASP HA 1 17 ASP H 1.800 . 5.000 3.429 3.346 3.605 . 0 0 "[ . 1 . 2]" 1
156 1 16 GLU H 1 16 GLU HA 1.800 . 2.900 2.793 2.781 2.804 . 0 0 "[ . 1 . 2]" 1
157 1 16 GLU H 1 16 GLU HB3 1.800 . 3.500 2.830 2.587 3.609 0.109 16 0 "[ . 1 . 2]" 1
158 1 16 GLU H 1 16 GLU HB2 1.800 . 3.500 2.482 2.346 2.552 . 0 0 "[ . 1 . 2]" 1
159 1 16 GLU HA 1 16 GLU HG3 1.800 . 3.500 2.606 2.490 3.057 . 0 0 "[ . 1 . 2]" 1
160 1 16 GLU HA 1 16 GLU HG2 1.800 . 3.500 2.872 2.354 3.061 . 0 0 "[ . 1 . 2]" 1
161 1 16 GLU H 1 16 GLU HG3 1.800 . 6.000 3.964 2.018 4.453 . 0 0 "[ . 1 . 2]" 1
162 1 16 GLU H 1 16 GLU HG2 1.800 . 6.000 4.264 3.194 4.518 . 0 0 "[ . 1 . 2]" 1
163 1 14 ASN HA 1 16 GLU H 1.800 . 6.000 3.420 3.129 3.571 . 0 0 "[ . 1 . 2]" 1
164 1 15 ASP QB 1 16 GLU H 1.800 . 5.000 3.355 3.244 3.796 . 0 0 "[ . 1 . 2]" 1
165 1 15 ASP HA 1 16 GLU H 1.800 . 3.500 3.331 3.300 3.433 . 0 0 "[ . 1 . 2]" 1
166 1 16 GLU H 1 18 ARG H 1.800 . 6.000 4.536 4.362 4.665 . 0 0 "[ . 1 . 2]" 1
167 1 16 GLU H 1 19 LEU H 1.800 . 6.000 4.911 4.642 5.084 . 0 0 "[ . 1 . 2]" 1
168 1 16 GLU H 1 19 LEU QB 1.800 . 6.000 4.164 3.664 4.466 . 0 0 "[ . 1 . 2]" 1
169 1 16 GLU H 1 19 LEU QD 1.800 . 6.000 4.550 4.077 4.921 . 0 0 "[ . 1 . 2]" 1
170 1 16 GLU HA 1 18 ARG H 1.800 . 6.000 4.085 4.003 4.125 . 0 0 "[ . 1 . 2]" 1
171 1 16 GLU HA 1 19 LEU H 1.800 . 6.000 3.028 2.921 3.135 . 0 0 "[ . 1 . 2]" 1
172 1 16 GLU HA 1 19 LEU HB3 1.800 . 6.000 2.376 2.231 2.870 . 0 0 "[ . 1 . 2]" 1
173 1 16 GLU HA 1 19 LEU HB2 1.800 . 6.000 2.287 2.210 3.121 . 0 0 "[ . 1 . 2]" 1
174 1 16 GLU HA 1 19 LEU QD 1.800 . 5.000 2.836 2.674 3.244 . 0 0 "[ . 1 . 2]" 1
175 1 16 GLU QB 1 17 ASP H 1.800 . 3.500 2.864 2.737 2.966 . 0 0 "[ . 1 . 2]" 1
176 1 14 ASN HA 1 16 GLU QG 1.800 . 6.000 5.689 3.725 6.166 0.166 13 0 "[ . 1 . 2]" 1
177 1 16 GLU HG3 1 17 ASP H 1.800 . 6.000 4.851 4.299 5.007 . 0 0 "[ . 1 . 2]" 1
178 1 16 GLU HG2 1 17 ASP H 1.800 . 6.000 4.241 3.938 5.186 . 0 0 "[ . 1 . 2]" 1
179 1 17 ASP H 1 17 ASP HA 1.800 . 2.900 2.830 2.817 2.842 . 0 0 "[ . 1 . 2]" 1
180 1 17 ASP H 1 17 ASP HB2 1.800 . 2.900 2.450 2.426 2.466 . 0 0 "[ . 1 . 2]" 1
181 1 17 ASP H 1 17 ASP HB3 1.800 . 3.500 3.370 2.674 3.602 0.102 7 0 "[ . 1 . 2]" 1
182 1 16 GLU H 1 17 ASP H 1.800 . 3.500 2.811 2.758 2.845 . 0 0 "[ . 1 . 2]" 1
183 1 16 GLU HA 1 17 ASP H 1.800 . 3.500 3.500 3.489 3.515 0.015 10 0 "[ . 1 . 2]" 1
184 1 17 ASP H 1 18 ARG H 1.800 . 2.900 2.771 2.725 2.826 . 0 0 "[ . 1 . 2]" 1
185 1 17 ASP H 1 18 ARG QB 1.800 . 6.000 4.953 4.726 5.089 . 0 0 "[ . 1 . 2]" 1
186 1 17 ASP H 1 19 LEU QB 1.800 . 6.000 4.554 4.489 4.731 . 0 0 "[ . 1 . 2]" 1
187 1 17 ASP H 1 19 LEU QD 1.800 . 6.000 5.469 5.393 5.663 . 0 0 "[ . 1 . 2]" 1
188 1 17 ASP H 1 19 LEU H 1.800 . 6.000 3.922 3.813 4.038 . 0 0 "[ . 1 . 2]" 1
189 1 17 ASP QB 1 18 ARG H 1.800 . 6.000 2.631 2.601 2.671 . 0 0 "[ . 1 . 2]" 1
190 1 16 GLU QB 1 17 ASP HA 1.800 . 6.000 4.106 3.939 4.209 . 0 0 "[ . 1 . 2]" 1
191 1 16 GLU QG 1 17 ASP HA 1.800 . 6.000 4.186 3.690 5.801 . 0 0 "[ . 1 . 2]" 1
192 1 17 ASP HA 1 18 ARG H 1.800 . 3.500 3.553 3.543 3.563 0.063 17 0 "[ . 1 . 2]" 1
193 1 17 ASP HA 1 19 LEU H 1.800 . 6.000 4.138 3.979 4.648 . 0 0 "[ . 1 . 2]" 1
194 1 17 ASP HB3 1 18 ARG QB 1.800 . 6.000 4.734 3.558 5.099 . 0 0 "[ . 1 . 2]" 1
195 1 17 ASP HB2 1 18 ARG QB 1.800 . 6.000 4.584 4.195 5.772 . 0 0 "[ . 1 . 2]" 1
196 1 18 ARG H 1 18 ARG HA 1.800 . 2.900 2.980 2.969 2.987 0.087 7 0 "[ . 1 . 2]" 1
197 1 18 ARG H 1 18 ARG QB 1.800 . 2.900 2.496 2.432 2.726 . 0 0 "[ . 1 . 2]" 1
198 1 18 ARG H 1 18 ARG QD 1.800 . 5.000 4.356 3.911 4.909 . 0 0 "[ . 1 . 2]" 1
199 1 18 ARG HA 1 18 ARG QG 1.800 . 3.500 2.362 2.240 2.817 . 0 0 "[ . 1 . 2]" 1
200 1 18 ARG H 1 18 ARG QG 1.800 . 5.000 2.813 2.419 4.064 . 0 0 "[ . 1 . 2]" 1
201 1 18 ARG HA 1 18 ARG HD3 1.800 . 5.000 4.004 2.234 4.690 . 0 0 "[ . 1 . 2]" 1
202 1 18 ARG HA 1 18 ARG HD2 1.800 . 5.000 4.262 3.004 4.585 . 0 0 "[ . 1 . 2]" 1
203 1 18 ARG QB 1 18 ARG HD3 1.800 . 5.000 2.727 2.405 3.304 . 0 0 "[ . 1 . 2]" 1
204 1 18 ARG QB 1 18 ARG HD2 1.800 . 5.000 2.340 2.265 2.384 . 0 0 "[ . 1 . 2]" 1
205 1 15 ASP QB 1 18 ARG H 1.800 . 6.000 4.025 3.879 4.270 . 0 0 "[ . 1 . 2]" 1
206 1 18 ARG H 1 19 LEU H 1.800 . 2.900 2.395 2.282 2.503 . 0 0 "[ . 1 . 2]" 1
207 1 18 ARG H 1 19 LEU QB 1.800 . 6.000 3.982 3.768 4.139 . 0 0 "[ . 1 . 2]" 1
208 1 18 ARG H 1 19 LEU QD 1.800 . 6.000 5.097 4.799 5.352 . 0 0 "[ . 1 . 2]" 1
209 1 18 ARG QB 1 19 LEU QB 1.800 . 6.000 4.664 4.479 4.847 . 0 0 "[ . 1 . 2]" 1
210 1 18 ARG QG 1 30 HIS QB 1.800 . 6.000 5.108 3.185 5.810 . 0 0 "[ . 1 . 2]" 1
211 1 18 ARG QG 1 32 PHE QE 1.800 . 3.500 4.449 2.290 5.034 1.534 15 17 "[-** *****1****+** **]" 1
212 1 18 ARG QD 1 32 PHE H 1.800 . 6.000 4.892 3.350 5.708 . 0 0 "[ . 1 . 2]" 1
213 1 18 ARG HD3 1 32 PHE QE 1.800 . 5.000 4.982 4.785 5.052 0.052 18 0 "[ . 1 . 2]" 1
214 1 18 ARG HD2 1 32 PHE QE 1.800 . 5.000 3.842 3.246 4.426 . 0 0 "[ . 1 . 2]" 1
215 1 18 ARG QD 1 40 ASP HA 1.800 . 6.000 4.536 3.941 4.858 . 0 0 "[ . 1 . 2]" 1
216 1 18 ARG HD3 1 41 VAL QG 1.800 . 6.000 4.623 2.903 6.159 0.159 14 0 "[ . 1 . 2]" 1
217 1 18 ARG HD2 1 41 VAL QG 1.800 . 6.000 5.245 3.444 6.656 0.656 7 2 "[ . + 1 . -2]" 1
218 1 19 LEU H 1 19 LEU QD 1.800 . 5.000 3.706 3.655 3.763 . 0 0 "[ . 1 . 2]" 1
219 1 19 LEU HA 1 19 LEU QD 1.800 . 3.500 2.375 2.010 3.072 . 0 0 "[ . 1 . 2]" 1
220 1 19 LEU QB 1 19 LEU QD 1.800 . 2.900 1.887 1.844 1.951 . 0 0 "[ . 1 . 2]" 1
221 1 19 LEU HA 1 19 LEU HG 1.800 . 3.500 2.847 2.348 3.273 . 0 0 "[ . 1 . 2]" 1
222 1 15 ASP QB 1 19 LEU H 1.800 . 6.000 4.622 4.038 5.095 . 0 0 "[ . 1 . 2]" 1
223 1 16 GLU QB 1 19 LEU H 1.800 . 6.000 4.633 4.354 4.725 . 0 0 "[ . 1 . 2]" 1
224 1 16 GLU QG 1 19 LEU H 1.800 . 6.000 4.210 3.911 5.121 . 0 0 "[ . 1 . 2]" 1
225 1 18 ARG HA 1 19 LEU H 1.800 . 3.500 3.181 2.997 3.281 . 0 0 "[ . 1 . 2]" 1
226 1 18 ARG QB 1 19 LEU H 1.800 . 6.000 3.582 3.422 3.793 . 0 0 "[ . 1 . 2]" 1
227 1 18 ARG QD 1 19 LEU H 1.800 . 6.000 5.653 4.946 6.008 0.008 11 0 "[ . 1 . 2]" 1
228 1 19 LEU H 1 20 LEU H 1.800 . 5.000 4.540 4.509 4.572 . 0 0 "[ . 1 . 2]" 1
229 1 19 LEU H 1 30 HIS HA 1.800 . 5.000 4.627 4.340 4.870 . 0 0 "[ . 1 . 2]" 1
230 1 18 ARG H 1 19 LEU HA 1.800 . 6.000 4.650 4.379 4.729 . 0 0 "[ . 1 . 2]" 1
231 1 19 LEU HA 1 20 LEU H 1.800 . 3.500 2.176 2.160 2.194 . 0 0 "[ . 1 . 2]" 1
232 1 19 LEU HA 1 30 HIS HA 1.800 . 6.000 2.383 2.261 2.761 . 0 0 "[ . 1 . 2]" 1
233 1 19 LEU HG 1 20 LEU H 1.800 . 6.000 2.973 2.685 3.316 . 0 0 "[ . 1 . 2]" 1
234 1 7 CYS QB 1 19 LEU QD 1.800 . 3.500 2.164 1.957 2.534 . 0 0 "[ . 1 . 2]" 1
235 1 5 TYR QD 1 19 LEU QD 1.800 . 6.000 3.055 2.422 3.941 . 0 0 "[ . 1 . 2]" 1
236 1 7 CYS HA 1 19 LEU QD 1.800 . 5.000 2.159 1.999 2.396 . 0 0 "[ . 1 . 2]" 1
237 1 19 LEU QD 1 20 LEU H 1.800 . 3.500 2.563 1.837 3.344 . 0 0 "[ . 1 . 2]" 1
238 1 19 LEU QD 1 30 HIS HA 1.800 . 5.000 3.471 2.768 4.774 . 0 0 "[ . 1 . 2]" 1
239 1 19 LEU QD 1 30 HIS HD2 1.800 . 6.000 2.909 2.245 4.314 . 0 0 "[ . 1 . 2]" 1
240 1 20 LEU H 1 20 LEU HA 1.800 . 2.900 2.977 2.968 2.984 0.084 13 0 "[ . 1 . 2]" 1
241 1 20 LEU H 1 20 LEU QD 1.800 . 6.000 3.503 2.305 3.871 . 0 0 "[ . 1 . 2]" 1
242 1 20 LEU HA 1 20 LEU MD2 1.800 . 5.000 3.121 2.084 3.971 . 0 0 "[ . 1 . 2]" 1
243 1 20 LEU HA 1 20 LEU MD1 1.800 . 5.000 3.190 2.086 4.132 . 0 0 "[ . 1 . 2]" 1
244 1 19 LEU HB3 1 20 LEU H 1.800 . 5.000 4.239 4.133 4.285 . 0 0 "[ . 1 . 2]" 1
245 1 19 LEU HB2 1 20 LEU H 1.800 . 5.000 4.279 4.216 4.337 . 0 0 "[ . 1 . 2]" 1
246 1 19 LEU QD 1 20 LEU QD 1.800 . 6.000 4.361 3.462 4.934 . 0 0 "[ . 1 . 2]" 1
247 1 20 LEU QD 1 21 LEU H 1.800 . 6.000 3.185 2.448 4.351 . 0 0 "[ . 1 . 2]" 1
248 1 21 LEU H 1 21 LEU HB3 1.800 . 3.500 2.606 2.504 2.833 . 0 0 "[ . 1 . 2]" 1
249 1 21 LEU H 1 21 LEU HB2 1.800 . 3.500 3.014 2.723 3.644 0.144 11 0 "[ . 1 . 2]" 1
250 1 21 LEU HB3 1 21 LEU QD 1.800 . 2.900 2.181 2.054 2.256 . 0 0 "[ . 1 . 2]" 1
251 1 21 LEU HB2 1 21 LEU QD 1.800 . 2.900 2.055 2.031 2.159 . 0 0 "[ . 1 . 2]" 1
252 1 21 LEU H 1 21 LEU QD 1.800 . 6.000 3.504 2.539 3.840 . 0 0 "[ . 1 . 2]" 1
253 1 5 TYR QD 1 21 LEU H 1.800 . 6.000 6.337 5.937 6.538 0.538 17 7 "[ * ** *-1 .*+ 2]" 1
254 1 5 TYR QE 1 21 LEU H 1.800 . 6.000 6.507 6.099 6.593 0.593 6 18 "[*-**.+********** ***]" 1
255 1 20 LEU H 1 21 LEU H 1.800 . 6.000 4.465 4.397 4.523 . 0 0 "[ . 1 . 2]" 1
256 1 20 LEU HA 1 21 LEU H 1.800 . 2.900 2.215 2.194 2.261 . 0 0 "[ . 1 . 2]" 1
257 1 20 LEU QB 1 21 LEU H 1.800 . 3.500 3.499 2.860 3.840 0.340 10 0 "[ . 1 . 2]" 1
258 1 21 LEU H 1 22 CYS HA 1.800 . 6.000 5.112 4.956 5.283 . 0 0 "[ . 1 . 2]" 1
259 1 21 LEU H 1 28 SER QB 1.800 . 6.000 5.142 4.623 5.392 . 0 0 "[ . 1 . 2]" 1
260 1 21 LEU QD 1 26 ASP HA 1.800 . 6.000 3.496 2.279 5.413 . 0 0 "[ . 1 . 2]" 1
261 1 21 LEU QD 1 28 SER HA 1.800 . 6.000 3.628 2.738 5.284 . 0 0 "[ . 1 . 2]" 1
262 1 21 LEU QD 1 22 CYS H 1.800 . 3.500 2.790 2.299 3.570 0.070 14 0 "[ . 1 . 2]" 1
263 1 22 CYS H 1 22 CYS HA 1.800 . 2.900 2.938 2.914 2.957 0.057 18 0 "[ . 1 . 2]" 1
264 1 22 CYS H 1 22 CYS HB3 1.800 . 3.500 2.358 2.205 2.467 . 0 0 "[ . 1 . 2]" 1
265 1 22 CYS H 1 22 CYS HB2 1.800 . 3.500 2.928 2.755 3.119 . 0 0 "[ . 1 . 2]" 1
266 1 21 LEU HB2 1 22 CYS H 1.800 . 6.000 3.984 3.103 4.363 . 0 0 "[ . 1 . 2]" 1
267 1 21 LEU HB3 1 22 CYS H 1.800 . 6.000 4.144 4.012 4.260 . 0 0 "[ . 1 . 2]" 1
268 1 22 CYS H 1 25 CYS H 1.800 . 6.000 4.954 4.618 5.193 . 0 0 "[ . 1 . 2]" 1
269 1 22 CYS H 1 26 ASP H 1.800 . 6.000 6.285 5.873 6.724 0.724 9 8 "[** . * +1* * - *]" 1
270 1 22 CYS H 1 27 ASP QB 1.800 . 6.000 3.922 3.552 4.707 . 0 0 "[ . 1 . 2]" 1
271 1 22 CYS H 1 28 SER HA 1.800 . 5.000 3.306 3.015 3.658 . 0 0 "[ . 1 . 2]" 1
272 1 22 CYS H 1 29 TYR QD 1.800 . 6.000 5.135 4.375 5.779 . 0 0 "[ . 1 . 2]" 1
273 1 22 CYS HB2 1 25 CYS QB 1.800 . 6.000 5.479 4.248 6.023 0.023 4 0 "[ . 1 . 2]" 1
274 1 22 CYS HB3 1 25 CYS QB 1.800 . 6.000 4.378 2.840 4.998 . 0 0 "[ . 1 . 2]" 1
275 1 22 CYS HB3 1 25 CYS H 1.800 . 6.000 3.270 2.826 3.745 . 0 0 "[ . 1 . 2]" 1
276 1 22 CYS HB2 1 25 CYS H 1.800 . 6.000 4.264 3.911 4.585 . 0 0 "[ . 1 . 2]" 1
277 1 22 CYS QB 1 26 ASP H 1.800 . 3.500 5.009 4.594 5.120 1.620 5 20 [****+***********-***] 1
278 1 22 CYS HB3 1 27 ASP H 1.800 . 5.000 2.732 2.169 3.331 . 0 0 "[ . 1 . 2]" 1
279 1 22 CYS HB2 1 27 ASP H 1.800 . 5.000 4.362 3.752 5.057 0.057 8 0 "[ . 1 . 2]" 1
280 1 22 CYS HB3 1 29 TYR QE 1.800 . 6.000 3.711 2.944 4.337 . 0 0 "[ . 1 . 2]" 1
281 1 22 CYS HB2 1 29 TYR QE 1.800 . 6.000 2.719 2.282 3.217 . 0 0 "[ . 1 . 2]" 1
282 1 23 ASP H 1 23 ASP HA 1.800 . 2.900 2.869 2.825 2.890 . 0 0 "[ . 1 . 2]" 1
283 1 23 ASP H 1 23 ASP HB2 1.800 . 3.500 2.458 2.430 2.512 . 0 0 "[ . 1 . 2]" 1
284 1 22 CYS HB3 1 23 ASP H 1.800 . 6.000 4.430 4.359 4.510 . 0 0 "[ . 1 . 2]" 1
285 1 22 CYS HB2 1 23 ASP H 1.800 . 6.000 4.303 4.158 4.398 . 0 0 "[ . 1 . 2]" 1
286 1 23 ASP H 1 24 GLY H 1.800 . 3.500 2.614 2.514 2.742 . 0 0 "[ . 1 . 2]" 1
287 1 23 ASP H 1 24 GLY QA 1.800 . 6.000 4.526 4.443 4.627 . 0 0 "[ . 1 . 2]" 1
288 1 23 ASP H 1 47 ARG HA 1.800 . 6.000 4.223 3.456 4.616 . 0 0 "[ . 1 . 2]" 1
289 1 23 ASP H 1 47 ARG QG 1.800 . 6.000 3.827 3.041 6.066 0.066 1 0 "[ . 1 . 2]" 1
290 1 24 GLY H 1 24 GLY HA3 1.800 . 2.900 2.350 2.342 2.364 . 0 0 "[ . 1 . 2]" 1
291 1 24 GLY H 1 24 GLY HA2 1.800 . 2.900 2.823 2.795 2.850 . 0 0 "[ . 1 . 2]" 1
292 1 23 ASP HA 1 24 GLY H 1.800 . 3.500 3.537 3.524 3.547 0.047 13 0 "[ . 1 . 2]" 1
293 1 24 GLY H 1 25 CYS H 1.800 . 2.900 2.754 2.668 2.802 . 0 0 "[ . 1 . 2]" 1
294 1 24 GLY HA3 1 25 CYS H 1.800 . 3.500 2.875 2.828 2.946 . 0 0 "[ . 1 . 2]" 1
295 1 24 GLY HA2 1 25 CYS H 1.800 . 3.500 3.531 3.497 3.551 0.051 2 0 "[ . 1 . 2]" 1
296 1 25 CYS H 1 25 CYS HB3 1.800 . 3.500 3.372 3.050 3.944 0.444 8 0 "[ . 1 . 2]" 1
297 1 25 CYS H 1 25 CYS HB2 1.800 . 3.500 3.750 2.835 4.009 0.509 14 3 "[ . * 1 -+. 2]" 1
298 1 22 CYS QB 1 25 CYS H 1.800 . 5.000 3.168 2.764 3.582 . 0 0 "[ . 1 . 2]" 1
299 1 24 GLY QA 1 25 CYS H 1.800 . 2.900 2.755 2.723 2.805 . 0 0 "[ . 1 . 2]" 1
300 1 25 CYS H 1 26 ASP H 1.800 . 6.000 4.294 4.024 4.421 . 0 0 "[ . 1 . 2]" 1
301 1 25 CYS QB 1 26 ASP H 1.800 . 5.000 2.465 1.800 3.252 . 16 0 "[ . 1 . 2]" 1
302 1 25 CYS HB3 1 27 ASP H 1.800 . 6.000 4.947 3.157 6.242 0.242 9 0 "[ . 1 . 2]" 1
303 1 25 CYS HB2 1 27 ASP H 1.800 . 6.000 4.252 2.110 5.751 . 0 0 "[ . 1 . 2]" 1
304 1 26 ASP H 1 26 ASP HA 1.800 . 2.900 2.919 2.837 2.989 0.089 4 0 "[ . 1 . 2]" 1
305 1 26 ASP H 1 26 ASP HB2 1.800 . 3.500 2.645 2.443 3.601 0.101 5 0 "[ . 1 . 2]" 1
306 1 26 ASP H 1 27 ASP H 1.800 . 5.000 3.405 2.236 4.299 . 0 0 "[ . 1 . 2]" 1
307 1 27 ASP H 1 27 ASP QB 1.800 . 3.500 2.575 2.285 2.842 . 0 0 "[ . 1 . 2]" 1
308 1 21 LEU QD 1 27 ASP H 1.800 . 6.000 3.797 2.694 5.996 . 0 0 "[ . 1 . 2]" 1
309 1 22 CYS QB 1 27 ASP H 1.800 . 3.500 2.704 2.156 3.287 . 0 0 "[ . 1 . 2]" 1
310 1 22 CYS H 1 27 ASP H 1.800 . 5.000 3.276 2.631 4.072 . 0 0 "[ . 1 . 2]" 1
311 1 8 LEU QD 1 27 ASP QB 1.800 . 6.000 4.017 2.217 5.227 . 0 0 "[ . 1 . 2]" 1
312 1 27 ASP QB 1 28 SER H 1.800 . 3.500 3.656 2.737 3.869 0.369 15 0 "[ . 1 . 2]" 1
313 1 27 ASP QB 1 29 TYR QE 1.800 . 3.500 3.438 2.520 4.401 0.901 6 3 "[ -+ 1 * . 2]" 1
314 1 8 LEU QD 1 28 SER H 1.800 . 6.000 2.918 2.027 4.678 . 0 0 "[ . 1 . 2]" 1
315 1 21 LEU QB 1 28 SER H 1.800 . 6.000 6.052 5.890 6.132 0.132 15 0 "[ . 1 . 2]" 1
316 1 27 ASP H 1 28 SER H 1.800 . 6.000 4.343 4.025 4.650 . 0 0 "[ . 1 . 2]" 1
317 1 27 ASP HA 1 28 SER H 1.800 . 3.500 2.211 2.177 2.287 . 0 0 "[ . 1 . 2]" 1
318 1 28 SER H 1 29 TYR QD 1.800 . 6.000 4.279 3.509 4.723 . 0 0 "[ . 1 . 2]" 1
319 1 5 TYR QD 1 28 SER HA 1.800 . 6.000 5.246 4.737 5.710 . 0 0 "[ . 1 . 2]" 1
320 1 21 LEU HA 1 28 SER HA 1.800 . 3.500 2.453 2.282 2.672 . 0 0 "[ . 1 . 2]" 1
321 1 22 CYS HA 1 28 SER HA 1.800 . 6.000 5.740 5.498 6.239 0.239 17 0 "[ . 1 . 2]" 1
322 1 5 TYR QD 1 28 SER HB3 1.800 . 6.000 3.692 2.833 4.301 . 0 0 "[ . 1 . 2]" 1
323 1 5 TYR QD 1 28 SER HB2 1.800 . 6.000 3.788 2.646 4.222 . 0 0 "[ . 1 . 2]" 1
324 1 6 VAL QG 1 28 SER HB3 1.800 . 6.000 5.273 4.918 5.631 . 0 0 "[ . 1 . 2]" 1
325 1 6 VAL QG 1 28 SER HB2 1.800 . 6.000 4.486 4.096 5.037 . 0 0 "[ . 1 . 2]" 1
326 1 28 SER QB 1 29 TYR H 1.800 . 3.500 3.025 2.919 3.119 . 0 0 "[ . 1 . 2]" 1
327 1 29 TYR H 1 29 TYR QD 1.800 . 6.000 3.065 2.629 3.295 . 0 0 "[ . 1 . 2]" 1
328 1 29 TYR HA 1 29 TYR QD 1.800 . 3.500 3.667 3.592 3.685 0.185 4 0 "[ . 1 . 2]" 1
329 1 29 TYR HB3 1 29 TYR QD 1.800 . 2.900 2.354 2.297 2.502 . 0 0 "[ . 1 . 2]" 1
330 1 29 TYR HB2 1 29 TYR QD 1.800 . 2.900 2.496 2.340 2.582 . 0 0 "[ . 1 . 2]" 1
331 1 7 CYS HA 1 29 TYR H 1.800 . 6.000 4.603 4.292 4.842 . 0 0 "[ . 1 . 2]" 1
332 1 19 LEU HA 1 29 TYR H 1.800 . 6.000 4.272 3.909 4.507 . 0 0 "[ . 1 . 2]" 1
333 1 19 LEU QD 1 29 TYR H 1.800 . 5.000 2.569 2.061 3.742 . 0 0 "[ . 1 . 2]" 1
334 1 20 LEU QD 1 29 TYR H 1.800 . 6.000 4.442 3.589 4.888 . 0 0 "[ . 1 . 2]" 1
335 1 20 LEU H 1 29 TYR H 1.800 . 5.000 2.951 2.659 3.125 . 0 0 "[ . 1 . 2]" 1
336 1 28 SER H 1 29 TYR H 1.800 . 5.000 4.469 4.428 4.515 . 0 0 "[ . 1 . 2]" 1
337 1 28 SER HA 1 29 TYR H 1.800 . 2.900 2.221 2.197 2.257 . 0 0 "[ . 1 . 2]" 1
338 1 7 CYS HB3 1 29 TYR HA 1.800 . 6.000 4.586 4.333 4.785 . 0 0 "[ . 1 . 2]" 1
339 1 7 CYS HB2 1 29 TYR HA 1.800 . 6.000 3.491 3.136 3.745 . 0 0 "[ . 1 . 2]" 1
340 1 8 LEU QB 1 29 TYR HA 1.800 . 6.000 4.937 4.506 5.268 . 0 0 "[ . 1 . 2]" 1
341 1 19 LEU QD 1 29 TYR HA 1.800 . 6.000 3.039 2.463 4.172 . 0 0 "[ . 1 . 2]" 1
342 1 9 LEU QB 1 29 TYR QB 1.800 . 6.000 3.751 3.418 4.067 . 0 0 "[ . 1 . 2]" 1
343 1 29 TYR QB 1 30 HIS H 1.800 . 5.000 2.605 2.529 2.705 . 0 0 "[ . 1 . 2]" 1
344 1 30 HIS H 1 30 HIS QB 1.800 . 3.500 2.484 2.384 2.633 . 0 0 "[ . 1 . 2]" 1
345 1 9 LEU QB 1 30 HIS H 1.800 . 6.000 3.970 3.876 4.157 . 0 0 "[ . 1 . 2]" 1
346 1 19 LEU QD 1 30 HIS H 1.800 . 5.000 3.763 3.158 5.013 0.013 19 0 "[ . 1 . 2]" 1
347 1 20 LEU H 1 30 HIS H 1.800 . 6.000 4.785 4.543 5.372 . 0 0 "[ . 1 . 2]" 1
348 1 29 TYR HA 1 30 HIS H 1.800 . 3.500 2.390 2.375 2.411 . 0 0 "[ . 1 . 2]" 1
349 1 29 TYR QD 1 30 HIS H 1.800 . 6.000 3.713 3.392 4.086 . 0 0 "[ . 1 . 2]" 1
350 1 29 TYR H 1 30 HIS H 1.800 . 5.000 4.403 4.380 4.428 . 0 0 "[ . 1 . 2]" 1
351 1 30 HIS H 1 32 PHE H 1.800 . 5.000 4.712 4.426 4.944 . 0 0 "[ . 1 . 2]" 1
352 1 19 LEU QB 1 30 HIS HA 1.800 . 6.000 4.183 4.020 4.723 . 0 0 "[ . 1 . 2]" 1
353 1 20 LEU QD 1 30 HIS HA 1.800 . 6.000 4.806 2.455 5.601 . 0 0 "[ . 1 . 2]" 1
354 1 31 THR H 1 31 THR HA 1.800 . 2.900 2.859 2.814 2.903 0.003 2 0 "[ . 1 . 2]" 1
355 1 31 THR H 1 31 THR HB 1.800 . 3.500 3.460 2.618 3.598 0.098 19 0 "[ . 1 . 2]" 1
356 1 19 LEU H 1 31 THR H 1.800 . 6.000 5.502 5.237 5.978 . 0 0 "[ . 1 . 2]" 1
357 1 20 LEU QD 1 31 THR H 1.800 . 6.000 4.470 2.707 5.206 . 0 0 "[ . 1 . 2]" 1
358 1 30 HIS HA 1 31 THR H 1.800 . 3.500 2.358 2.309 2.439 . 0 0 "[ . 1 . 2]" 1
359 1 31 THR H 1 32 PHE QB 1.800 . 6.000 4.823 4.578 5.048 . 0 0 "[ . 1 . 2]" 1
360 1 31 THR H 1 32 PHE H 1.800 . 3.500 2.645 2.544 2.782 . 0 0 "[ . 1 . 2]" 1
361 1 31 THR H 1 33 CYS QB 1.800 . 6.000 5.241 4.629 5.645 . 0 0 "[ . 1 . 2]" 1
362 1 18 ARG QB 1 31 THR HA 1.800 . 6.000 5.107 4.520 6.542 0.542 19 1 "[ . 1 . +2]" 1
363 1 31 THR HA 1 32 PHE H 1.800 . 3.500 3.427 3.359 3.486 . 0 0 "[ . 1 . 2]" 1
364 1 32 PHE H 1 32 PHE HA 1.800 . 2.900 2.985 2.979 2.990 0.090 2 0 "[ . 1 . 2]" 1
365 1 32 PHE H 1 32 PHE HB3 1.800 . 3.500 2.968 2.739 3.196 . 0 0 "[ . 1 . 2]" 1
366 1 32 PHE H 1 32 PHE HB2 1.800 . 3.500 3.763 3.703 3.842 0.342 16 0 "[ . 1 . 2]" 1
367 1 30 HIS HA 1 32 PHE H 1.800 . 6.000 3.939 3.833 4.067 . 0 0 "[ . 1 . 2]" 1
368 1 31 THR HB 1 32 PHE H 1.800 . 3.500 4.047 3.039 4.411 0.911 3 18 "[**+*.****** *****-**]" 1
369 1 32 PHE H 1 34 LEU QB 1.800 . 6.000 5.550 5.226 6.106 0.106 12 0 "[ . 1 . 2]" 1
370 1 33 CYS H 1 33 CYS HB2 1.800 . 3.500 3.106 2.115 3.873 0.373 13 0 "[ . 1 . 2]" 1
371 1 33 CYS H 1 33 CYS HB3 1.800 . 3.500 3.077 2.719 3.531 0.031 9 0 "[ . 1 . 2]" 1
372 1 30 HIS H 1 33 CYS H 1.800 . 6.000 3.737 3.414 4.044 . 0 0 "[ . 1 . 2]" 1
373 1 30 HIS HA 1 33 CYS H 1.800 . 6.000 4.408 4.160 4.607 . 0 0 "[ . 1 . 2]" 1
374 1 30 HIS QB 1 33 CYS H 1.800 . 3.500 2.464 2.258 2.651 . 0 0 "[ . 1 . 2]" 1
375 1 31 THR HA 1 33 CYS H 1.800 . 6.000 4.111 3.917 4.275 . 0 0 "[ . 1 . 2]" 1
376 1 31 THR H 1 33 CYS H 1.800 . 6.000 4.088 3.959 4.200 . 0 0 "[ . 1 . 2]" 1
377 1 32 PHE H 1 33 CYS H 1.800 . 2.900 2.165 1.933 2.389 . 0 0 "[ . 1 . 2]" 1
378 1 32 PHE HA 1 33 CYS H 1.800 . 3.500 3.304 3.244 3.362 . 0 0 "[ . 1 . 2]" 1
379 1 33 CYS H 1 34 LEU HA 1.800 . 6.000 5.071 4.975 5.334 . 0 0 "[ . 1 . 2]" 1
380 1 32 PHE H 1 33 CYS HA 1.800 . 6.000 4.764 4.528 4.930 . 0 0 "[ . 1 . 2]" 1
381 1 30 HIS H 1 33 CYS QB 1.800 . 5.000 2.930 1.717 3.927 0.083 4 0 "[ . 1 . 2]" 1
382 1 33 CYS QB 1 34 LEU H 1.800 . 3.500 3.549 2.106 4.074 0.574 2 11 "[*+* * * -* * . ** *]" 1
383 1 34 LEU H 1 34 LEU HA 1.800 . 2.900 2.895 2.860 2.966 0.066 16 0 "[ . 1 . 2]" 1
384 1 34 LEU HA 1 34 LEU QD 1.800 . 3.500 2.124 2.031 2.166 . 0 0 "[ . 1 . 2]" 1
385 1 31 THR HA 1 34 LEU H 1.800 . 6.000 4.827 4.403 5.266 . 0 0 "[ . 1 . 2]" 1
386 1 33 CYS H 1 34 LEU H 1.800 . 2.900 2.558 2.260 2.776 . 0 0 "[ . 1 . 2]" 1
387 1 33 CYS HA 1 34 LEU H 1.800 . 3.500 3.154 2.840 3.570 0.070 12 0 "[ . 1 . 2]" 1
388 1 34 LEU H 1 35 ILE H 1.800 . 6.000 2.089 1.801 2.607 . 0 0 "[ . 1 . 2]" 1
389 1 32 PHE H 1 34 LEU QD 1.800 . 6.000 6.523 6.272 6.724 0.724 19 9 "[ *.* **1 - *** +2]" 1
390 1 33 CYS HA 1 34 LEU QB 1.800 . 6.000 4.660 4.504 5.442 . 0 0 "[ . 1 . 2]" 1
391 1 34 LEU QB 1 35 ILE H 1.800 . 3.500 2.534 2.386 2.739 . 0 0 "[ . 1 . 2]" 1
392 1 35 ILE H 1 35 ILE HB 1.800 . 3.500 3.655 3.120 3.756 0.256 19 0 "[ . 1 . 2]" 1
393 1 35 ILE H 1 35 ILE QG 1.800 . 6.000 2.002 1.865 2.603 . 0 0 "[ . 1 . 2]" 1
394 1 35 ILE HB 1 35 ILE MD 1.800 . 3.500 2.332 2.176 2.402 . 0 0 "[ . 1 . 2]" 1
395 1 35 ILE HA 1 35 ILE MD 1.800 . 6.000 4.064 3.559 4.125 . 0 0 "[ . 1 . 2]" 1
396 1 35 ILE H 1 35 ILE MD 1.800 . 6.000 3.376 1.734 3.654 0.066 12 0 "[ . 1 . 2]" 1
397 1 35 ILE HA 1 35 ILE QG 1.800 . 3.500 3.246 2.839 3.298 . 0 0 "[ . 1 . 2]" 1
398 1 34 LEU HA 1 35 ILE H 1.800 . 3.500 3.543 3.523 3.555 0.055 11 0 "[ . 1 . 2]" 1
399 1 35 ILE H 1 36 PRO HA 1.800 . 6.000 5.420 5.243 5.495 . 0 0 "[ . 1 . 2]" 1
400 1 35 ILE H 1 36 PRO HD3 1.800 . 6.000 5.104 4.997 5.184 . 0 0 "[ . 1 . 2]" 1
401 1 35 ILE H 1 36 PRO HD2 1.800 . 6.000 4.822 4.773 4.872 . 0 0 "[ . 1 . 2]" 1
402 1 35 ILE HA 1 36 PRO QB 1.800 . 6.000 4.844 4.823 4.858 . 0 0 "[ . 1 . 2]" 1
403 1 35 ILE HA 1 36 PRO QD 1.800 . 6.000 2.087 2.058 2.107 . 0 0 "[ . 1 . 2]" 1
404 1 35 ILE MG 1 36 PRO HA 1.800 . 6.000 5.748 4.942 5.845 . 0 0 "[ . 1 . 2]" 1
405 1 35 ILE MG 1 36 PRO HD3 1.800 . 6.000 4.207 3.294 4.350 . 0 0 "[ . 1 . 2]" 1
406 1 35 ILE MG 1 36 PRO HD2 1.800 . 6.000 3.345 1.988 3.636 . 0 0 "[ . 1 . 2]" 1
407 1 36 PRO HA 1 36 PRO HD3 1.800 . 6.000 3.287 3.179 3.381 . 0 0 "[ . 1 . 2]" 1
408 1 36 PRO HA 1 36 PRO HD2 1.800 . 6.000 3.998 3.974 4.011 . 0 0 "[ . 1 . 2]" 1
409 1 36 PRO HA 1 37 PRO HA 1.800 . 6.000 5.083 5.055 5.142 . 0 0 "[ . 1 . 2]" 1
410 1 36 PRO HA 1 37 PRO QD 1.800 . 6.000 3.552 3.541 3.567 . 0 0 "[ . 1 . 2]" 1
411 1 38 LEU H 1 38 LEU HA 1.800 . 2.900 2.955 2.842 2.987 0.087 3 0 "[ . 1 . 2]" 1
412 1 38 LEU H 1 38 LEU QD 1.800 . 6.000 3.592 3.352 4.005 . 0 0 "[ . 1 . 2]" 1
413 1 38 LEU HA 1 38 LEU QD 1.800 . 3.500 2.252 2.050 3.179 . 0 0 "[ . 1 . 2]" 1
414 1 37 PRO QB 1 38 LEU H 1.800 . 3.500 2.777 2.716 2.886 . 0 0 "[ . 1 . 2]" 1
415 1 38 LEU H 1 39 HIS HA 1.800 . 6.000 4.982 4.366 6.005 0.005 19 0 "[ . 1 . 2]" 1
416 1 39 HIS H 1 39 HIS HB3 1.800 . 3.500 3.674 3.612 4.055 0.555 19 1 "[ . 1 . +2]" 1
417 1 39 HIS H 1 39 HIS HB2 1.800 . 3.500 2.595 2.504 3.549 0.049 19 0 "[ . 1 . 2]" 1
418 1 38 LEU MD1 1 39 HIS H 1.800 . 6.000 4.097 3.484 5.317 . 0 0 "[ . 1 . 2]" 1
419 1 38 LEU MD2 1 39 HIS H 1.800 . 6.000 3.886 2.286 4.682 . 0 0 "[ . 1 . 2]" 1
420 1 39 HIS H 1 40 ASP QB 1.800 . 6.000 5.214 4.210 5.996 . 0 0 "[ . 1 . 2]" 1
421 1 39 HIS HA 1 40 ASP H 1.800 . 3.500 3.067 2.232 3.584 0.084 12 0 "[ . 1 . 2]" 1
422 1 40 ASP H 1 40 ASP HA 1.800 . 2.900 2.933 2.924 2.956 0.056 8 0 "[ . 1 . 2]" 1
423 1 40 ASP H 1 40 ASP HB3 1.800 . 3.500 2.893 2.525 3.614 0.114 17 0 "[ . 1 . 2]" 1
424 1 40 ASP H 1 40 ASP HB2 1.800 . 3.500 2.788 2.395 3.894 0.394 5 0 "[ . 1 . 2]" 1
425 1 38 LEU QB 1 40 ASP H 1.800 . 5.000 4.605 2.918 6.215 1.215 14 7 "[ *.** * +. *-2]" 1
426 1 40 ASP H 1 41 VAL H 1.800 . 6.000 4.431 4.190 4.594 . 0 0 "[ . 1 . 2]" 1
427 1 40 ASP QB 1 41 VAL H 1.800 . 6.000 3.601 2.686 3.998 . 0 0 "[ . 1 . 2]" 1
428 1 41 VAL H 1 41 VAL HA 1.800 . 2.900 2.933 2.869 2.979 0.079 6 0 "[ . 1 . 2]" 1
429 1 41 VAL H 1 41 VAL HB 1.800 . 2.900 3.298 2.519 3.697 0.797 12 14 "[ ****** * +*-.** **]" 1
430 1 41 VAL H 1 41 VAL QG 1.800 . 2.900 1.920 1.770 2.307 0.030 14 0 "[ . 1 . 2]" 1
431 1 41 VAL HA 1 41 VAL MG1 1.800 . 2.900 2.305 2.119 2.580 . 0 0 "[ . 1 . 2]" 1
432 1 18 ARG QD 1 41 VAL H 1.800 . 6.000 5.435 4.534 6.026 0.026 10 0 "[ . 1 . 2]" 1
433 1 40 ASP HA 1 41 VAL H 1.800 . 2.900 2.231 2.181 2.352 . 0 0 "[ . 1 . 2]" 1
434 1 40 ASP HA 1 41 VAL HB 1.800 . 6.000 5.436 4.685 5.783 . 0 0 "[ . 1 . 2]" 1
435 1 41 VAL HB 1 42 PRO HA 1.800 . 6.000 5.117 4.868 5.416 . 0 0 "[ . 1 . 2]" 1
436 1 42 PRO HA 1 43 LYS QB 1.800 . 6.000 4.342 3.974 4.646 . 0 0 "[ . 1 . 2]" 1
437 1 42 PRO HA 1 43 LYS H 1.800 . 2.900 2.274 2.213 2.369 . 0 0 "[ . 1 . 2]" 1
438 1 43 LYS H 1 43 LYS HA 1.800 . 2.900 2.871 2.385 2.983 0.083 2 0 "[ . 1 . 2]" 1
439 1 43 LYS H 1 43 LYS HB2 1.800 . 3.500 2.767 2.364 3.458 . 0 0 "[ . 1 . 2]" 1
440 1 43 LYS HA 1 43 LYS HG3 1.800 . 3.500 2.828 2.381 3.734 0.234 19 0 "[ . 1 . 2]" 1
441 1 43 LYS HA 1 43 LYS HG2 1.800 . 3.500 2.643 2.324 3.116 . 0 0 "[ . 1 . 2]" 1
442 1 43 LYS H 1 43 LYS HG3 1.800 . 6.000 3.436 1.893 4.854 . 0 0 "[ . 1 . 2]" 1
443 1 43 LYS H 1 43 LYS HG2 1.800 . 6.000 3.919 2.353 4.730 . 0 0 "[ . 1 . 2]" 1
444 1 41 VAL QG 1 43 LYS H 1.800 . 6.000 5.127 4.393 5.720 . 0 0 "[ . 1 . 2]" 1
445 1 42 PRO QB 1 43 LYS H 1.800 . 3.500 3.050 2.793 3.174 . 0 0 "[ . 1 . 2]" 1
446 1 43 LYS H 1 44 GLY H 1.800 . 6.000 3.640 2.142 4.638 . 0 0 "[ . 1 . 2]" 1
447 1 42 PRO QB 1 44 GLY H 1.800 . 6.000 4.712 2.863 6.128 0.128 7 0 "[ . 1 . 2]" 1
448 1 43 LYS HA 1 44 GLY H 1.800 . 2.900 2.997 2.289 3.577 0.677 4 9 "[ *+. *1 ** ** * -]" 1
449 1 43 LYS QB 1 44 GLY H 1.800 . 2.900 2.421 1.731 3.120 0.220 14 0 "[ . 1 . 2]" 1
450 1 43 LYS QG 1 44 GLY H 1.800 . 3.500 3.360 1.725 3.766 0.266 20 0 "[ . 1 . 2]" 1
451 1 44 GLY HA3 1 45 ASP H 1.800 . 3.500 2.692 2.209 3.481 . 0 0 "[ . 1 . 2]" 1
452 1 44 GLY HA2 1 45 ASP H 1.800 . 5.000 2.595 2.214 3.165 . 0 0 "[ . 1 . 2]" 1
453 1 45 ASP H 1 45 ASP HB3 1.800 . 3.500 2.930 2.558 3.602 0.102 16 0 "[ . 1 . 2]" 1
454 1 45 ASP H 1 45 ASP HB2 1.800 . 3.500 2.561 2.433 2.716 . 0 0 "[ . 1 . 2]" 1
455 1 45 ASP QB 1 46 TRP H 1.800 . 3.500 3.544 2.816 3.913 0.413 10 0 "[ . 1 . 2]" 1
456 1 46 TRP H 1 46 TRP QB 1.800 . 3.500 2.406 2.166 2.951 . 0 0 "[ . 1 . 2]" 1
457 1 45 ASP H 1 46 TRP H 1.800 . 5.000 4.546 4.412 4.683 . 0 0 "[ . 1 . 2]" 1
458 1 45 ASP HA 1 46 TRP H 1.800 . 2.900 2.228 2.195 2.324 . 0 0 "[ . 1 . 2]" 1
459 1 46 TRP HA 1 47 ARG H 1.800 . 2.900 2.186 2.141 2.216 . 0 0 "[ . 1 . 2]" 1
460 1 46 TRP HA 1 47 ARG QB 1.800 . 6.000 4.336 4.273 4.385 . 0 0 "[ . 1 . 2]" 1
461 1 47 ARG H 1 47 ARG QB 1.800 . 3.500 2.571 2.440 3.010 . 0 0 "[ . 1 . 2]" 1
462 1 47 ARG H 1 47 ARG QG 1.800 . 6.000 2.804 1.860 3.041 . 0 0 "[ . 1 . 2]" 1
463 1 47 ARG HA 1 47 ARG HG2 1.800 . 3.500 2.546 2.362 3.606 0.106 11 0 "[ . 1 . 2]" 1
464 1 47 ARG HA 1 47 ARG HD3 1.800 . 5.000 4.313 4.178 4.697 . 0 0 "[ . 1 . 2]" 1
465 1 47 ARG HA 1 47 ARG HD2 1.800 . 5.000 4.622 4.580 4.804 . 0 0 "[ . 1 . 2]" 1
466 1 46 TRP H 1 47 ARG H 1.800 . 5.000 4.540 4.475 4.603 . 0 0 "[ . 1 . 2]" 1
467 1 46 TRP QB 1 47 ARG H 1.800 . 5.000 3.444 3.021 3.744 . 0 0 "[ . 1 . 2]" 1
468 1 47 ARG H 1 52 LEU QD 1.800 . 6.000 4.720 3.796 5.247 . 0 0 "[ . 1 . 2]" 1
469 1 47 ARG HB3 1 52 LEU QD 1.800 . 6.000 4.211 3.386 5.360 . 0 0 "[ . 1 . 2]" 1
470 1 47 ARG HB2 1 52 LEU QD 1.800 . 6.000 3.430 2.366 5.030 . 0 0 "[ . 1 . 2]" 1
471 1 24 GLY H 1 47 ARG QD 1.800 . 5.000 3.962 3.127 4.617 . 0 0 "[ . 1 . 2]" 1
472 1 25 CYS H 1 47 ARG QD 1.800 . 6.000 5.656 4.829 6.067 0.067 10 0 "[ . 1 . 2]" 1
473 1 46 TRP H 1 47 ARG QD 1.800 . 6.000 6.481 6.216 6.637 0.637 3 10 "[* + . **1 -* ** **]" 1
474 1 47 ARG HD3 1 52 LEU QD 1.800 . 5.000 4.217 3.562 4.409 . 0 0 "[ . 1 . 2]" 1
475 1 47 ARG HD2 1 52 LEU QD 1.800 . 5.000 3.473 2.973 3.878 . 0 0 "[ . 1 . 2]" 1
476 1 47 ARG HG3 1 51 CYS QB 1.800 . 6.000 4.672 3.300 5.977 . 0 0 "[ . 1 . 2]" 1
477 1 47 ARG HG2 1 51 CYS QB 1.800 . 6.000 3.828 3.324 4.784 . 0 0 "[ . 1 . 2]" 1
478 1 47 ARG HG3 1 52 LEU QD 1.800 . 6.000 4.692 3.349 5.263 . 0 0 "[ . 1 . 2]" 1
479 1 47 ARG HG2 1 52 LEU QD 1.800 . 6.000 5.266 3.911 5.759 . 0 0 "[ . 1 . 2]" 1
480 1 48 CYS H 1 48 CYS QB 1.800 . 3.500 2.778 2.416 2.963 . 0 0 "[ . 1 . 2]" 1
481 1 47 ARG H 1 48 CYS H 1.800 . 5.000 4.420 4.367 4.471 . 0 0 "[ . 1 . 2]" 1
482 1 47 ARG HA 1 48 CYS H 1.800 . 2.900 2.217 2.192 2.253 . 0 0 "[ . 1 . 2]" 1
483 1 47 ARG QB 1 48 CYS H 1.800 . 3.500 3.079 3.024 3.193 . 0 0 "[ . 1 . 2]" 1
484 1 48 CYS H 1 51 CYS QB 1.800 . 6.000 3.493 2.240 4.617 . 0 0 "[ . 1 . 2]" 1
485 1 48 CYS H 1 50 LYS H 1.800 . 6.000 5.374 5.189 5.483 . 0 0 "[ . 1 . 2]" 1
486 1 48 CYS H 1 52 LEU QD 1.800 . 6.000 5.998 5.458 6.452 0.452 11 0 "[ . 1 . 2]" 1
487 1 29 TYR QD 1 48 CYS HA 1.800 . 6.000 5.313 4.400 6.013 0.013 16 0 "[ . 1 . 2]" 1
488 1 29 TYR QE 1 48 CYS HA 1.800 . 6.000 3.678 2.793 4.617 . 0 0 "[ . 1 . 2]" 1
489 1 48 CYS HA 1 52 LEU QD 1.800 . 6.000 5.800 5.472 6.059 0.059 7 0 "[ . 1 . 2]" 1
490 1 29 TYR QD 1 48 CYS QB 1.800 . 6.000 4.358 3.455 4.624 . 0 0 "[ . 1 . 2]" 1
491 1 29 TYR QE 1 48 CYS QB 1.800 . 3.500 3.269 2.368 3.481 . 0 0 "[ . 1 . 2]" 1
492 1 50 LYS H 1 50 LYS HA 1.800 . 2.900 2.852 2.827 2.888 . 0 0 "[ . 1 . 2]" 1
493 1 50 LYS H 1 50 LYS QB 1.800 . 3.500 2.541 2.376 2.713 . 0 0 "[ . 1 . 2]" 1
494 1 50 LYS H 1 50 LYS HG3 1.800 . 3.500 3.285 2.841 3.710 0.210 5 0 "[ . 1 . 2]" 1
495 1 50 LYS H 1 50 LYS HG2 1.800 . 3.500 1.973 1.744 2.365 0.056 17 0 "[ . 1 . 2]" 1
496 1 50 LYS HA 1 50 LYS HG3 1.800 . 3.500 3.731 3.697 3.756 0.256 12 0 "[ . 1 . 2]" 1
497 1 50 LYS HA 1 50 LYS HG2 1.800 . 3.500 3.640 3.594 3.667 0.167 5 0 "[ . 1 . 2]" 1
498 1 48 CYS HA 1 50 LYS H 1.800 . 5.000 4.469 4.386 4.535 . 0 0 "[ . 1 . 2]" 1
499 1 49 PRO HA 1 50 LYS H 1.800 . 5.000 3.587 3.572 3.596 . 0 0 "[ . 1 . 2]" 1
500 1 49 PRO QG 1 50 LYS H 1.800 . 5.000 3.191 2.781 3.798 . 0 0 "[ . 1 . 2]" 1
501 1 49 PRO QD 1 50 LYS H 1.800 . 6.000 3.191 3.035 3.311 . 0 0 "[ . 1 . 2]" 1
502 1 50 LYS H 1 51 CYS H 1.800 . 2.900 2.719 2.525 2.890 . 0 0 "[ . 1 . 2]" 1
503 1 50 LYS H 1 52 LEU H 1.800 . 5.000 4.076 3.982 4.145 . 0 0 "[ . 1 . 2]" 1
504 1 50 LYS H 1 52 LEU QD 1.800 . 6.000 5.859 5.634 6.018 0.018 3 0 "[ . 1 . 2]" 1
505 1 50 LYS HA 1 51 CYS H 1.800 . 3.500 3.540 3.507 3.582 0.082 17 0 "[ . 1 . 2]" 1
506 1 50 LYS HA 1 52 LEU H 1.800 . 5.000 4.337 4.203 4.451 . 0 0 "[ . 1 . 2]" 1
507 1 50 LYS HA 1 53 ALA H 1.800 . 5.000 3.566 3.368 3.744 . 0 0 "[ . 1 . 2]" 1
508 1 50 LYS HA 1 53 ALA MB 1.800 . 5.000 2.977 2.805 3.177 . 0 0 "[ . 1 . 2]" 1
509 1 51 CYS H 1 51 CYS HA 1.800 . 2.900 2.882 2.856 2.901 0.001 17 0 "[ . 1 . 2]" 1
510 1 51 CYS H 1 51 CYS QB 1.800 . 3.500 2.635 2.194 2.936 . 0 0 "[ . 1 . 2]" 1
511 1 50 LYS QB 1 51 CYS H 1.800 . 3.500 3.362 3.197 3.414 . 0 0 "[ . 1 . 2]" 1
512 1 51 CYS H 1 52 LEU H 1.800 . 2.900 2.572 2.520 2.662 . 0 0 "[ . 1 . 2]" 1
513 1 51 CYS H 1 52 LEU QD 1.800 . 6.000 5.464 5.185 5.536 . 0 0 "[ . 1 . 2]" 1
514 1 51 CYS H 1 53 ALA H 1.800 . 5.000 4.156 4.046 4.227 . 0 0 "[ . 1 . 2]" 1
515 1 51 CYS HA 1 52 LEU H 1.800 . 3.500 3.531 3.522 3.536 0.036 4 0 "[ . 1 . 2]" 1
516 1 51 CYS HA 1 53 ALA H 1.800 . 5.000 4.175 4.104 4.249 . 0 0 "[ . 1 . 2]" 1
517 1 51 CYS HA 1 54 GLN H 1.800 . 5.000 3.346 3.217 3.445 . 0 0 "[ . 1 . 2]" 1
518 1 51 CYS HA 1 54 GLN QB 1.800 . 6.000 3.284 3.046 3.520 . 0 0 "[ . 1 . 2]" 1
519 1 47 ARG QB 1 51 CYS QB 1.800 . 5.000 2.401 2.066 3.776 . 0 0 "[ . 1 . 2]" 1
520 1 51 CYS QB 1 52 LEU H 1.800 . 3.500 2.929 2.652 3.440 . 0 0 "[ . 1 . 2]" 1
521 1 52 LEU H 1 52 LEU HA 1.800 . 2.900 2.847 2.831 2.866 . 0 0 "[ . 1 . 2]" 1
522 1 52 LEU H 1 52 LEU QD 1.800 . 5.000 3.640 3.348 3.683 . 0 0 "[ . 1 . 2]" 1
523 1 52 LEU H 1 52 LEU HG 1.800 . 6.000 4.485 4.468 4.603 . 0 0 "[ . 1 . 2]" 1
524 1 52 LEU HB3 1 52 LEU QD 1.800 . 2.900 2.251 2.178 2.308 . 0 0 "[ . 1 . 2]" 1
525 1 52 LEU HB2 1 52 LEU QD 1.800 . 2.900 2.047 2.023 2.179 . 0 0 "[ . 1 . 2]" 1
526 1 52 LEU HA 1 52 LEU QD 1.800 . 3.500 2.119 1.951 2.136 . 0 0 "[ . 1 . 2]" 1
527 1 50 LYS QB 1 52 LEU H 1.800 . 6.000 5.039 4.957 5.097 . 0 0 "[ . 1 . 2]" 1
528 1 52 LEU H 1 53 ALA H 1.800 . 2.900 2.696 2.613 2.754 . 0 0 "[ . 1 . 2]" 1
529 1 52 LEU H 1 54 GLN H 1.800 . 5.000 4.153 4.079 4.207 . 0 0 "[ . 1 . 2]" 1
530 1 52 LEU H 1 54 GLN QG 1.800 . 6.000 4.982 4.751 5.148 . 0 0 "[ . 1 . 2]" 1
531 1 52 LEU HA 1 53 ALA H 1.800 . 3.500 3.537 3.531 3.543 0.043 17 0 "[ . 1 . 2]" 1
532 1 52 LEU HA 1 54 GLN H 1.800 . 5.000 4.093 3.952 4.210 . 0 0 "[ . 1 . 2]" 1
533 1 52 LEU HA 1 55 GLU H 1.800 . 5.000 3.486 3.389 3.564 . 0 0 "[ . 1 . 2]" 1
534 1 52 LEU HA 1 55 GLU QB 1.800 . 6.000 3.526 3.027 5.070 . 0 0 "[ . 1 . 2]" 1
535 1 52 LEU HB3 1 53 ALA H 1.800 . 5.000 2.675 2.642 2.726 . 0 0 "[ . 1 . 2]" 1
536 1 52 LEU HB2 1 53 ALA H 1.800 . 5.000 3.884 3.640 3.926 . 0 0 "[ . 1 . 2]" 1
537 1 53 ALA H 1 53 ALA HA 1.800 . 2.900 2.854 2.841 2.863 . 0 0 "[ . 1 . 2]" 1
538 1 53 ALA H 1 53 ALA MB 1.800 . 2.900 2.136 2.042 2.254 . 0 0 "[ . 1 . 2]" 1
539 1 52 LEU QD 1 53 ALA H 1.800 . 5.000 3.963 3.538 4.008 . 0 0 "[ . 1 . 2]" 1
540 1 53 ALA H 1 54 GLN H 1.800 . 3.500 2.663 2.635 2.698 . 0 0 "[ . 1 . 2]" 1
541 1 53 ALA H 1 54 GLN QG 1.800 . 6.000 4.115 4.061 4.170 . 0 0 "[ . 1 . 2]" 1
542 1 53 ALA H 1 55 GLU H 1.800 . 5.000 4.265 4.186 4.341 . 0 0 "[ . 1 . 2]" 1
543 1 53 ALA HA 1 54 GLN H 1.800 . 3.500 3.522 3.507 3.535 0.035 17 0 "[ . 1 . 2]" 1
544 1 53 ALA HA 1 55 GLU H 1.800 . 5.000 4.053 3.975 4.149 . 0 0 "[ . 1 . 2]" 1
545 1 53 ALA MB 1 54 GLN QG 1.800 . 3.500 3.416 3.306 3.519 0.019 6 0 "[ . 1 . 2]" 1
546 1 54 GLN H 1 54 GLN HA 1.800 . 2.900 2.841 2.834 2.849 . 0 0 "[ . 1 . 2]" 1
547 1 54 GLN H 1 54 GLN HB2 1.800 . 3.500 2.504 2.493 2.516 . 0 0 "[ . 1 . 2]" 1
548 1 54 GLN HA 1 54 GLN HG2 1.800 . 3.500 2.469 2.419 2.483 . 0 0 "[ . 1 . 2]" 1
549 1 54 GLN H 1 54 GLN HG3 1.800 . 3.500 2.127 2.107 2.151 . 0 0 "[ . 1 . 2]" 1
550 1 54 GLN H 1 54 GLN HG2 1.800 . 3.500 3.383 3.288 3.414 . 0 0 "[ . 1 . 2]" 1
551 1 52 LEU QD 1 54 GLN H 1.800 . 6.000 5.015 4.285 5.131 . 0 0 "[ . 1 . 2]" 1
552 1 53 ALA MB 1 54 GLN H 1.800 . 5.000 2.749 2.645 2.839 . 0 0 "[ . 1 . 2]" 1
553 1 54 GLN H 1 55 GLU H 1.800 . 2.900 2.706 2.685 2.725 . 0 0 "[ . 1 . 2]" 1
554 1 54 GLN HA 1 55 GLU H 1.800 . 3.500 3.530 3.527 3.533 0.033 7 0 "[ . 1 . 2]" 1
555 1 54 GLN QG 1 55 GLU QB 1.800 . 6.000 5.602 5.402 5.923 . 0 0 "[ . 1 . 2]" 1
556 1 55 GLU H 1 55 GLU HA 1.800 . 2.900 2.828 2.360 2.957 0.057 2 0 "[ . 1 . 2]" 1
557 1 55 GLU H 1 55 GLU HB3 1.800 . 3.500 2.960 2.565 3.620 0.120 15 0 "[ . 1 . 2]" 1
558 1 55 GLU H 1 55 GLU HB2 1.800 . 3.500 2.570 2.427 2.990 . 0 0 "[ . 1 . 2]" 1
559 1 55 GLU H 1 55 GLU HG3 1.800 . 6.000 3.912 2.115 4.572 . 0 0 "[ . 1 . 2]" 1
560 1 55 GLU H 1 55 GLU HG2 1.800 . 6.000 4.272 3.303 4.801 . 0 0 "[ . 1 . 2]" 1
561 1 55 GLU HA 1 55 GLU HG3 1.800 . 3.500 2.666 2.490 3.063 . 0 0 "[ . 1 . 2]" 1
562 1 55 GLU HA 1 55 GLU HG2 1.800 . 3.500 2.885 2.437 3.654 0.154 20 0 "[ . 1 . 2]" 1
563 1 47 ARG QD 1 55 GLU H 1.800 . 6.000 5.469 4.482 6.026 0.026 17 0 "[ . 1 . 2]" 1
564 1 52 LEU QD 1 55 GLU H 1.800 . 6.000 4.126 3.403 4.301 . 0 0 "[ . 1 . 2]" 1
565 1 54 GLN QB 1 55 GLU H 1.800 . 3.500 2.682 2.665 2.692 . 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 14
_Distance_constraint_stats_list.Viol_count 125
_Distance_constraint_stats_list.Viol_total 1120.023
_Distance_constraint_stats_list.Viol_max 1.550
_Distance_constraint_stats_list.Viol_rms 0.3410
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2000
_Distance_constraint_stats_list.Viol_average_violations_only 0.4480
_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 20 LEU 0.252 0.112 13 0 "[ . 1 . 2]"
1 22 CYS 38.008 1.550 3 20 [**+***********-*****]
1 27 ASP 38.008 1.550 3 20 [**+***********-*****]
1 29 TYR 0.252 0.112 13 0 "[ . 1 . 2]"
1 49 PRO 0.134 0.053 7 0 "[ . 1 . 2]"
1 50 LYS 7.890 0.509 12 1 "[ . 1 + . 2]"
1 51 CYS 9.716 0.621 3 1 "[ + . 1 . 2]"
1 53 ALA 0.134 0.053 7 0 "[ . 1 . 2]"
1 54 GLN 7.890 0.509 12 1 "[ . 1 + . 2]"
1 55 GLU 9.716 0.621 3 1 "[ + . 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 49 PRO O 1 53 ALA H 2.000 . 2.500 2.301 1.944 2.553 0.053 7 0 "[ . 1 . 2]" 2
2 1 49 PRO O 1 53 ALA N 3.000 2.200 3.500 3.190 2.826 3.422 . 0 0 "[ . 1 . 2]" 2
3 1 50 LYS O 1 54 GLN H 2.000 . 2.500 2.774 2.505 3.009 0.509 12 1 "[ . 1 + . 2]" 2
4 1 50 LYS O 1 54 GLN N 3.000 2.200 3.500 3.608 3.370 3.835 0.335 12 0 "[ . 1 . 2]" 2
5 1 51 CYS O 1 55 GLU H 2.000 . 2.500 2.823 2.488 3.121 0.621 3 1 "[ + . 1 . 2]" 2
6 1 51 CYS O 1 55 GLU N 3.000 2.200 3.500 3.655 3.354 3.922 0.422 3 0 "[ . 1 . 2]" 2
7 1 20 LEU O 1 29 TYR H 2.000 . 2.500 2.270 2.013 2.612 0.112 13 0 "[ . 1 . 2]" 2
8 1 20 LEU O 1 29 TYR N 3.000 2.200 3.500 3.200 2.950 3.521 0.021 13 0 "[ . 1 . 2]" 2
9 1 20 LEU H 1 29 TYR O 2.000 . 2.500 1.946 1.643 2.530 0.030 13 0 "[ . 1 . 2]" 2
10 1 20 LEU N 1 29 TYR O 3.000 2.200 3.500 2.910 2.606 3.497 . 0 0 "[ . 1 . 2]" 2
11 1 22 CYS O 1 27 ASP H 2.000 . 2.500 3.564 3.304 4.050 1.550 3 20 [**+*******-*********] 2
12 1 22 CYS O 1 27 ASP N 3.000 2.200 3.500 4.336 4.237 4.483 0.983 3 20 [**+***********-*****] 2
13 1 22 CYS H 1 27 ASP O 2.000 . 2.500 2.046 1.830 2.331 . 0 0 "[ . 1 . 2]" 2
14 1 22 CYS N 1 27 ASP O 3.000 2.200 3.500 2.941 2.751 3.268 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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