NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
407151 |
1y1c   |
6387 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1y1c
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 660
_Distance_constraint_stats_list.Viol_count 1571
_Distance_constraint_stats_list.Viol_total 2247.501
_Distance_constraint_stats_list.Viol_max 0.289
_Distance_constraint_stats_list.Viol_rms 0.0296
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0085
_Distance_constraint_stats_list.Viol_average_violations_only 0.0715
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 PRO 0.192 0.148 9 0 "[ . 1 . 2]"
1 3 ASP 0.221 0.148 9 0 "[ . 1 . 2]"
1 4 ALA 1.072 0.114 5 0 "[ . 1 . 2]"
1 5 PRO 0.203 0.056 17 0 "[ . 1 . 2]"
1 6 CYS 1.896 0.159 8 0 "[ . 1 . 2]"
1 7 ILE 2.854 0.159 8 0 "[ . 1 . 2]"
1 8 CYS 2.624 0.120 1 0 "[ . 1 . 2]"
1 9 THR 4.593 0.178 15 0 "[ . 1 . 2]"
1 10 MET 2.466 0.132 10 0 "[ . 1 . 2]"
1 11 GLN 4.225 0.148 3 0 "[ . 1 . 2]"
1 12 TYR 1.209 0.144 20 0 "[ . 1 . 2]"
1 13 ASP 2.294 0.177 20 0 "[ . 1 . 2]"
1 14 PRO 2.175 0.097 8 0 "[ . 1 . 2]"
1 15 VAL 8.930 0.202 3 0 "[ . 1 . 2]"
1 16 CYS 15.457 0.202 3 0 "[ . 1 . 2]"
1 17 GLY 8.248 0.188 4 0 "[ . 1 . 2]"
1 18 SER 0.013 0.006 4 0 "[ . 1 . 2]"
1 19 ASP 3.179 0.188 4 0 "[ . 1 . 2]"
1 20 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 ILE 0.376 0.062 19 0 "[ . 1 . 2]"
1 22 THR 0.776 0.084 17 0 "[ . 1 . 2]"
1 23 TYR 5.393 0.164 3 0 "[ . 1 . 2]"
1 24 GLY 4.806 0.199 4 0 "[ . 1 . 2]"
1 25 ASN 12.841 0.199 4 0 "[ . 1 . 2]"
1 26 ALA 2.711 0.170 10 0 "[ . 1 . 2]"
1 27 CYS 11.407 0.219 2 0 "[ . 1 . 2]"
1 28 MET 13.975 0.289 8 0 "[ . 1 . 2]"
1 29 LEU 14.265 0.235 7 0 "[ . 1 . 2]"
1 30 LEU 9.085 0.175 11 0 "[ . 1 . 2]"
1 31 CYS 6.190 0.289 8 0 "[ . 1 . 2]"
1 32 ALA 2.467 0.105 2 0 "[ . 1 . 2]"
1 33 SER 5.226 0.126 20 0 "[ . 1 . 2]"
1 34 ALA 1.027 0.086 14 0 "[ . 1 . 2]"
1 35 ARG 0.637 0.083 9 0 "[ . 1 . 2]"
1 36 SER 2.711 0.153 16 0 "[ . 1 . 2]"
1 37 ASP 0.728 0.143 4 0 "[ . 1 . 2]"
1 38 THR 0.823 0.153 16 0 "[ . 1 . 2]"
1 39 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 ILE 8.684 0.235 7 0 "[ . 1 . 2]"
1 41 GLU 0.167 0.155 18 0 "[ . 1 . 2]"
1 42 LEU 5.641 0.186 2 0 "[ . 1 . 2]"
1 43 VAL 6.865 0.186 2 0 "[ . 1 . 2]"
1 44 HIS 8.278 0.173 15 0 "[ . 1 . 2]"
1 45 LYS 1.102 0.101 10 0 "[ . 1 . 2]"
1 46 GLY 2.718 0.143 2 0 "[ . 1 . 2]"
1 47 ARG 2.713 0.146 8 0 "[ . 1 . 2]"
1 48 CYS 7.916 0.166 11 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 LYS HA 1 2 PRO QD 2.000 . 4.500 2.629 1.820 3.508 . 0 0 "[ . 1 . 2]" 1
2 1 2 PRO HA 1 3 ASP H 2.000 . 2.700 2.636 2.463 2.848 0.148 9 0 "[ . 1 . 2]" 1
3 1 2 PRO QB 1 3 ASP H 2.000 . 6.000 2.264 1.911 3.968 . 0 0 "[ . 1 . 2]" 1
4 1 2 PRO QG 1 3 ASP H 2.000 . 4.500 3.924 3.608 4.092 . 0 0 "[ . 1 . 2]" 1
5 1 3 ASP HA 1 4 ALA H 2.000 . 2.700 2.358 2.138 2.729 0.029 5 0 "[ . 1 . 2]" 1
6 1 3 ASP H 1 3 ASP QB 2.000 . 4.100 2.749 2.127 3.444 . 0 0 "[ . 1 . 2]" 1
7 1 3 ASP QB 1 4 ALA H 2.000 . 6.000 3.266 2.020 4.058 . 0 0 "[ . 1 . 2]" 1
8 1 4 ALA HA 1 5 PRO QD 2.000 . 4.500 2.737 1.815 3.517 . 0 0 "[ . 1 . 2]" 1
9 1 4 ALA HA 1 5 PRO QG 2.000 . 6.000 4.568 3.730 5.307 . 0 0 "[ . 1 . 2]" 1
10 1 3 ASP H 1 4 ALA MB 2.000 . 6.500 4.519 3.160 5.472 . 0 0 "[ . 1 . 2]" 1
11 1 4 ALA H 1 4 ALA MB 2.000 . 3.300 2.554 2.089 2.836 . 0 0 "[ . 1 . 2]" 1
12 1 4 ALA MB 1 5 PRO QD 2.000 . 5.000 2.331 1.744 3.346 0.056 17 0 "[ . 1 . 2]" 1
13 1 4 ALA MB 1 5 PRO QG 2.000 . 6.500 3.879 3.131 4.880 . 0 0 "[ . 1 . 2]" 1
14 1 4 ALA MB 1 31 CYS HA 2.000 . 6.500 4.260 2.923 5.373 . 0 0 "[ . 1 . 2]" 1
15 1 4 ALA MB 1 33 SER QB 2.000 . 7.500 5.439 5.274 5.606 . 0 0 "[ . 1 . 2]" 1
16 1 3 ASP H 1 4 ALA H 2.000 . 5.000 4.001 2.320 4.616 . 0 0 "[ . 1 . 2]" 1
17 1 4 ALA H 1 30 LEU HB2 2.000 . 5.000 4.839 4.415 5.034 0.034 20 0 "[ . 1 . 2]" 1
18 1 4 ALA H 1 31 CYS HA 2.000 . 5.000 4.683 3.553 5.114 0.114 5 0 "[ . 1 . 2]" 1
19 1 5 PRO HA 1 6 CYS H 2.000 . 2.700 2.392 2.111 2.730 0.030 18 0 "[ . 1 . 2]" 1
20 1 5 PRO HA 1 6 CYS QB 2.000 . 6.000 4.582 4.216 4.813 . 0 0 "[ . 1 . 2]" 1
21 1 5 PRO HA 1 31 CYS QB 2.000 . 6.000 4.432 3.361 5.458 . 0 0 "[ . 1 . 2]" 1
22 1 5 PRO QB 1 6 CYS H 2.000 . 4.500 2.733 1.883 3.445 . 0 0 "[ . 1 . 2]" 1
23 1 4 ALA H 1 5 PRO QD 2.000 . 6.000 3.030 1.833 4.368 . 0 0 "[ . 1 . 2]" 1
24 1 5 PRO QD 1 6 CYS H 2.000 . 6.000 4.884 4.645 5.008 . 0 0 "[ . 1 . 2]" 1
25 1 6 CYS HA 1 7 ILE QG 2.000 . 6.000 4.427 4.111 5.000 . 0 0 "[ . 1 . 2]" 1
26 1 6 CYS HA 1 7 ILE HB 2.000 . 5.000 5.082 5.011 5.159 0.159 8 0 "[ . 1 . 2]" 1
27 1 6 CYS HA 1 7 ILE H 2.000 . 2.700 2.543 2.365 2.697 . 0 0 "[ . 1 . 2]" 1
28 1 6 CYS HA 1 31 CYS H 2.000 . 5.000 3.967 3.626 4.467 . 0 0 "[ . 1 . 2]" 1
29 1 6 CYS H 1 6 CYS QB 2.000 . 4.100 3.101 2.770 3.319 . 0 0 "[ . 1 . 2]" 1
30 1 6 CYS QB 1 7 ILE H 2.000 . 4.500 3.930 3.875 3.957 . 0 0 "[ . 1 . 2]" 1
31 1 6 CYS QB 1 8 CYS H 2.000 . 6.000 4.863 4.184 5.372 . 0 0 "[ . 1 . 2]" 1
32 1 6 CYS QB 1 28 MET HA 2.000 . 6.000 2.103 1.740 2.385 0.060 1 0 "[ . 1 . 2]" 1
33 1 6 CYS QB 1 31 CYS QB 2.000 . 7.000 1.949 1.743 2.387 0.057 1 0 "[ . 1 . 2]" 1
34 1 6 CYS QB 1 32 ALA MB 2.000 . 7.500 5.220 4.893 5.459 . 0 0 "[ . 1 . 2]" 1
35 1 6 CYS QB 1 34 ALA MB 2.000 . 8.000 5.548 4.956 5.775 . 0 0 "[ . 1 . 2]" 1
36 1 7 ILE HA 1 8 CYS QB 2.000 . 6.000 4.463 4.254 4.701 . 0 0 "[ . 1 . 2]" 1
37 1 7 ILE HA 1 8 CYS HA 2.000 . 5.000 4.525 4.411 4.607 . 0 0 "[ . 1 . 2]" 1
38 1 7 ILE HA 1 8 CYS H 2.000 . 2.700 2.470 2.236 2.666 . 0 0 "[ . 1 . 2]" 1
39 1 7 ILE H 1 7 ILE HB 2.000 . 2.700 2.761 2.688 2.807 0.107 6 0 "[ . 1 . 2]" 1
40 1 7 ILE HB 1 8 CYS H 2.000 . 5.000 4.426 4.330 4.510 . 0 0 "[ . 1 . 2]" 1
41 1 7 ILE H 1 7 ILE MD 2.000 . 6.500 3.744 2.299 4.560 . 0 0 "[ . 1 . 2]" 1
42 1 7 ILE H 1 7 ILE QG 2.000 . 4.100 3.294 2.850 3.691 . 0 0 "[ . 1 . 2]" 1
43 1 7 ILE QG 1 8 CYS H 2.000 . 6.000 4.531 4.272 4.798 . 0 0 "[ . 1 . 2]" 1
44 1 7 ILE H 1 7 ILE MG 2.000 . 5.000 3.851 3.819 3.891 . 0 0 "[ . 1 . 2]" 1
45 1 7 ILE MG 1 9 THR H 2.000 . 5.000 3.961 3.897 4.075 . 0 0 "[ . 1 . 2]" 1
46 1 8 CYS HA 1 8 CYS HB3 2.000 . 2.700 2.700 2.568 2.809 0.109 16 0 "[ . 1 . 2]" 1
47 1 8 CYS HA 1 9 THR MG 2.000 . 6.500 4.384 4.047 4.694 . 0 0 "[ . 1 . 2]" 1
48 1 8 CYS HA 1 9 THR H 2.000 . 3.500 3.492 3.462 3.517 0.017 14 0 "[ . 1 . 2]" 1
49 1 8 CYS HA 1 9 THR HA 2.000 . 5.000 4.654 4.623 4.680 . 0 0 "[ . 1 . 2]" 1
50 1 8 CYS HA 1 27 CYS HB3 2.000 . 5.000 4.565 4.215 4.960 . 0 0 "[ . 1 . 2]" 1
51 1 8 CYS HA 1 27 CYS HB2 2.000 . 5.000 4.676 4.129 5.031 0.031 13 0 "[ . 1 . 2]" 1
52 1 8 CYS H 1 8 CYS HB2 2.000 . 2.700 2.233 2.085 2.372 . 0 0 "[ . 1 . 2]" 1
53 1 8 CYS HB2 1 9 THR H 2.000 . 3.500 2.855 2.577 3.027 . 0 0 "[ . 1 . 2]" 1
54 1 8 CYS HB2 1 25 ASN QD 2.000 . 6.000 4.318 3.856 4.500 . 0 0 "[ . 1 . 2]" 1
55 1 8 CYS HB2 1 27 CYS H 2.000 . 5.000 3.864 2.950 4.426 . 0 0 "[ . 1 . 2]" 1
56 1 8 CYS H 1 8 CYS HB3 2.000 . 3.500 3.426 3.269 3.557 0.057 7 0 "[ . 1 . 2]" 1
57 1 8 CYS HB3 1 9 THR H 2.000 . 3.500 3.234 2.907 3.576 0.076 3 0 "[ . 1 . 2]" 1
58 1 8 CYS HB3 1 25 ASN QD 2.000 . 6.000 5.037 4.558 5.402 . 0 0 "[ . 1 . 2]" 1
59 1 8 CYS HB3 1 27 CYS H 2.000 . 5.000 4.804 4.195 5.120 0.120 1 0 "[ . 1 . 2]" 1
60 1 7 ILE H 1 8 CYS H 2.000 . 5.000 3.145 2.890 3.584 . 0 0 "[ . 1 . 2]" 1
61 1 8 CYS H 1 9 THR H 2.000 . 5.000 2.206 1.911 2.389 . 0 0 "[ . 1 . 2]" 1
62 1 9 THR HA 1 10 MET H 2.000 . 2.700 2.491 2.168 2.765 0.065 5 0 "[ . 1 . 2]" 1
63 1 9 THR HA 1 10 MET HB2 2.000 . 5.000 4.270 4.114 4.582 . 0 0 "[ . 1 . 2]" 1
64 1 9 THR HA 1 25 ASN QD 2.000 . 6.000 5.044 4.342 5.406 . 0 0 "[ . 1 . 2]" 1
65 1 9 THR H 1 9 THR HB 2.000 . 3.500 3.582 3.493 3.678 0.178 15 0 "[ . 1 . 2]" 1
66 1 9 THR HB 1 11 GLN H 2.000 . 3.800 3.921 3.896 3.948 0.148 3 0 "[ . 1 . 2]" 1
67 1 9 THR H 1 9 THR MG 2.000 . 3.800 2.535 2.379 2.703 . 0 0 "[ . 1 . 2]" 1
68 1 9 THR MG 1 10 MET H 2.000 . 5.500 3.394 2.683 4.246 . 0 0 "[ . 1 . 2]" 1
69 1 9 THR MG 1 11 GLN H 2.000 . 5.500 2.317 1.806 3.285 . 0 0 "[ . 1 . 2]" 1
70 1 9 THR MG 1 11 GLN QB 2.000 . 7.500 2.288 1.800 3.519 0.000 5 0 "[ . 1 . 2]" 1
71 1 9 THR MG 1 25 ASN HD21 2.000 . 6.500 2.957 2.017 3.738 . 0 0 "[ . 1 . 2]" 1
72 1 9 THR MG 1 25 ASN HD22 2.000 . 6.500 3.274 2.249 3.885 . 0 0 "[ . 1 . 2]" 1
73 1 9 THR MG 1 27 CYS H 2.000 . 6.500 4.990 4.328 5.328 . 0 0 "[ . 1 . 2]" 1
74 1 10 MET HA 1 11 GLN H 2.000 . 3.000 3.021 2.954 3.054 0.054 19 0 "[ . 1 . 2]" 1
75 1 10 MET HA 1 25 ASN HD21 2.000 . 4.000 4.062 3.915 4.132 0.132 10 0 "[ . 1 . 2]" 1
76 1 10 MET HA 1 25 ASN HD22 2.000 . 4.000 3.701 3.271 4.002 0.002 13 0 "[ . 1 . 2]" 1
77 1 10 MET H 1 10 MET HB2 2.000 . 2.700 2.390 2.224 2.626 . 0 0 "[ . 1 . 2]" 1
78 1 10 MET HB2 1 11 GLN H 2.000 . 5.000 4.054 3.909 4.212 . 0 0 "[ . 1 . 2]" 1
79 1 10 MET H 1 10 MET HB3 2.000 . 3.500 3.448 3.269 3.606 0.106 15 0 "[ . 1 . 2]" 1
80 1 10 MET HB3 1 11 GLN H 2.000 . 5.000 4.188 4.037 4.421 . 0 0 "[ . 1 . 2]" 1
81 1 10 MET H 1 10 MET QG 2.000 . 5.600 3.618 2.540 4.110 . 0 0 "[ . 1 . 2]" 1
82 1 10 MET QG 1 11 GLN H 2.000 . 6.000 4.711 4.408 5.016 . 0 0 "[ . 1 . 2]" 1
83 1 11 GLN HA 1 12 TYR H 2.000 . 3.500 2.853 2.483 3.494 . 0 0 "[ . 1 . 2]" 1
84 1 11 GLN H 1 11 GLN QB 2.000 . 3.300 2.176 2.086 2.445 . 0 0 "[ . 1 . 2]" 1
85 1 11 GLN QB 1 12 TYR H 2.000 . 4.500 3.167 1.656 3.945 0.144 20 0 "[ . 1 . 2]" 1
86 1 11 GLN QB 1 25 ASN HD21 2.000 . 6.000 4.719 3.871 5.480 . 0 0 "[ . 1 . 2]" 1
87 1 11 GLN QB 1 25 ASN HD22 2.000 . 6.000 4.762 3.852 5.437 . 0 0 "[ . 1 . 2]" 1
88 1 11 GLN H 1 11 GLN QG 2.000 . 5.600 3.354 2.270 4.035 . 0 0 "[ . 1 . 2]" 1
89 1 11 GLN QG 1 12 TYR H 2.000 . 6.000 4.181 3.741 4.669 . 0 0 "[ . 1 . 2]" 1
90 1 10 MET H 1 11 GLN H 2.000 . 2.700 2.389 2.043 2.688 . 0 0 "[ . 1 . 2]" 1
91 1 11 GLN H 1 12 TYR H 2.000 . 3.500 3.510 3.316 3.593 0.093 16 0 "[ . 1 . 2]" 1
92 1 12 TYR HA 1 13 ASP H 2.000 . 2.700 2.323 2.250 2.440 . 0 0 "[ . 1 . 2]" 1
93 1 12 TYR HA 1 25 ASN HD21 2.000 . 5.000 4.232 3.554 4.698 . 0 0 "[ . 1 . 2]" 1
94 1 12 TYR HA 1 25 ASN HD22 2.000 . 5.000 3.883 2.744 4.878 . 0 0 "[ . 1 . 2]" 1
95 1 12 TYR H 1 12 TYR QB 2.000 . 3.300 2.483 2.146 3.010 . 0 0 "[ . 1 . 2]" 1
96 1 12 TYR QB 1 13 ASP H 2.000 . 4.500 4.003 3.942 4.047 . 0 0 "[ . 1 . 2]" 1
97 1 12 TYR QB 1 25 ASN QD 2.000 . 7.000 4.984 4.359 5.410 . 0 0 "[ . 1 . 2]" 1
98 1 12 TYR H 1 12 TYR QD 2.000 . 5.900 4.039 3.270 4.542 . 0 0 "[ . 1 . 2]" 1
99 1 12 TYR QD 1 13 ASP H 2.000 . 5.900 3.786 2.828 4.674 . 0 0 "[ . 1 . 2]" 1
100 1 12 TYR H 1 12 TYR QE 2.000 . 7.400 6.127 5.475 6.532 . 0 0 "[ . 1 . 2]" 1
101 1 12 TYR QE 1 13 ASP H 2.000 . 7.400 5.506 4.925 6.175 . 0 0 "[ . 1 . 2]" 1
102 1 12 TYR QE 1 22 THR MG 2.000 . 8.400 5.262 4.575 6.041 . 0 0 "[ . 1 . 2]" 1
103 1 12 TYR QE 1 24 GLY H 2.000 . 7.400 4.950 3.716 6.507 . 0 0 "[ . 1 . 2]" 1
104 1 13 ASP HA 1 14 PRO QD 2.000 . 3.700 2.040 1.958 2.150 . 0 0 "[ . 1 . 2]" 1
105 1 13 ASP HA 1 14 PRO QG 2.000 . 4.500 3.821 3.751 3.915 . 0 0 "[ . 1 . 2]" 1
106 1 13 ASP H 1 13 ASP HB2 2.000 . 3.500 2.492 2.384 2.763 . 0 0 "[ . 1 . 2]" 1
107 1 13 ASP HB2 1 26 ALA H 2.000 . 5.000 4.881 4.468 5.017 0.017 14 0 "[ . 1 . 2]" 1
108 1 13 ASP H 1 13 ASP HB3 2.000 . 3.500 3.181 2.821 3.286 . 0 0 "[ . 1 . 2]" 1
109 1 13 ASP HB3 1 26 ALA H 2.000 . 5.000 3.753 3.301 4.259 . 0 0 "[ . 1 . 2]" 1
110 1 12 TYR QD 1 14 PRO HA 2.000 . 7.400 4.985 3.829 5.726 . 0 0 "[ . 1 . 2]" 1
111 1 12 TYR QE 1 14 PRO HA 2.000 . 7.400 4.876 3.826 5.983 . 0 0 "[ . 1 . 2]" 1
112 1 14 PRO HA 1 15 VAL MG1 2.000 . 5.000 3.992 3.825 4.077 . 0 0 "[ . 1 . 2]" 1
113 1 14 PRO HA 1 15 VAL MG2 2.000 . 6.500 3.831 3.719 4.057 . 0 0 "[ . 1 . 2]" 1
114 1 14 PRO HA 1 15 VAL HA 2.000 . 5.000 4.440 4.413 4.462 . 0 0 "[ . 1 . 2]" 1
115 1 14 PRO HA 1 15 VAL H 2.000 . 2.700 2.220 2.178 2.251 . 0 0 "[ . 1 . 2]" 1
116 1 14 PRO HA 1 22 THR MG 2.000 . 5.000 3.062 2.817 3.407 . 0 0 "[ . 1 . 2]" 1
117 1 14 PRO HA 1 24 GLY QA 2.000 . 6.000 2.360 2.239 2.531 . 0 0 "[ . 1 . 2]" 1
118 1 14 PRO HA 1 25 ASN H 2.000 . 3.800 3.876 3.859 3.897 0.097 8 0 "[ . 1 . 2]" 1
119 1 12 TYR QE 1 14 PRO QB 2.000 . 8.400 3.539 2.626 4.582 . 0 0 "[ . 1 . 2]" 1
120 1 13 ASP H 1 14 PRO QB 2.000 . 6.000 5.214 5.049 5.340 . 0 0 "[ . 1 . 2]" 1
121 1 14 PRO QB 1 15 VAL H 2.000 . 4.500 3.724 3.647 3.779 . 0 0 "[ . 1 . 2]" 1
122 1 14 PRO QB 1 23 TYR H 2.000 . 6.000 4.770 4.673 4.850 . 0 0 "[ . 1 . 2]" 1
123 1 14 PRO QB 1 25 ASN H 2.000 . 6.000 5.370 5.334 5.404 . 0 0 "[ . 1 . 2]" 1
124 1 16 CYS QB 1 44 HIS H 2.000 . 6.000 2.815 2.704 2.883 . 0 0 "[ . 1 . 2]" 1
125 1 14 PRO QB 1 22 THR MG 2.000 . 6.000 1.823 1.716 2.160 0.084 17 0 "[ . 1 . 2]" 1
126 1 12 TYR QE 1 14 PRO QD 2.000 . 8.400 3.490 2.928 4.277 . 0 0 "[ . 1 . 2]" 1
127 1 13 ASP H 1 14 PRO QD 2.000 . 4.500 3.080 2.878 3.248 . 0 0 "[ . 1 . 2]" 1
128 1 14 PRO QD 1 15 VAL QG 2.000 . 8.900 4.436 4.358 4.509 . 0 0 "[ . 1 . 2]" 1
129 1 12 TYR QE 1 14 PRO QG 2.000 . 6.900 3.243 2.344 4.057 . 0 0 "[ . 1 . 2]" 1
130 1 13 ASP H 1 14 PRO QG 2.000 . 6.000 5.020 4.837 5.173 . 0 0 "[ . 1 . 2]" 1
131 1 14 PRO QG 1 15 VAL H 2.000 . 6.000 4.825 4.790 4.853 . 0 0 "[ . 1 . 2]" 1
132 1 14 PRO QG 1 22 THR MG 2.000 . 7.500 3.403 3.234 3.713 . 0 0 "[ . 1 . 2]" 1
133 1 14 PRO QG 1 15 VAL HA 2.000 . 6.000 5.151 5.049 5.208 . 0 0 "[ . 1 . 2]" 1
134 1 15 VAL HA 1 16 CYS HB2 2.000 . 4.000 4.007 3.984 4.022 0.022 13 0 "[ . 1 . 2]" 1
135 1 15 VAL HA 1 16 CYS HB3 2.000 . 5.000 5.192 5.174 5.202 0.202 3 0 "[ . 1 . 2]" 1
136 1 15 VAL HA 1 16 CYS HA 2.000 . 5.000 4.312 4.294 4.329 . 0 0 "[ . 1 . 2]" 1
137 1 15 VAL HA 1 16 CYS H 2.000 . 2.700 2.076 2.063 2.098 . 0 0 "[ . 1 . 2]" 1
138 1 15 VAL HA 1 22 THR HA 2.000 . 5.000 4.807 4.614 4.994 . 0 0 "[ . 1 . 2]" 1
139 1 15 VAL HA 1 23 TYR H 2.000 . 5.000 4.772 4.704 4.857 . 0 0 "[ . 1 . 2]" 1
140 1 12 TYR HA 1 25 ASN QB 2.000 . 6.000 4.841 4.229 5.389 . 0 0 "[ . 1 . 2]" 1
141 1 15 VAL HA 1 44 HIS H 2.000 . 5.000 5.033 4.968 5.084 0.084 11 0 "[ . 1 . 2]" 1
142 1 15 VAL HA 1 45 LYS HA 2.000 . 3.500 2.133 1.881 2.501 . 0 0 "[ . 1 . 2]" 1
143 1 15 VAL HA 1 45 LYS H 2.000 . 5.000 4.729 4.548 4.991 . 0 0 "[ . 1 . 2]" 1
144 1 15 VAL HA 1 46 GLY H 2.000 . 3.500 2.259 2.153 2.332 . 0 0 "[ . 1 . 2]" 1
145 1 15 VAL H 1 15 VAL HB 2.000 . 3.500 3.647 3.622 3.675 0.175 15 0 "[ . 1 . 2]" 1
146 1 15 VAL HB 1 42 LEU HG 2.000 . 3.500 3.463 3.018 3.568 0.068 18 0 "[ . 1 . 2]" 1
147 1 15 VAL HB 1 44 HIS H 2.000 . 5.000 4.662 4.361 4.856 . 0 0 "[ . 1 . 2]" 1
148 1 15 VAL H 1 15 VAL MG1 2.000 . 5.500 2.567 2.383 2.761 . 0 0 "[ . 1 . 2]" 1
149 1 15 VAL MG1 1 25 ASN HA 2.000 . 5.500 2.906 2.605 3.184 . 0 0 "[ . 1 . 2]" 1
150 1 15 VAL MG1 1 26 ALA H 2.000 . 5.500 2.726 2.421 2.976 . 0 0 "[ . 1 . 2]" 1
151 1 15 VAL MG1 1 26 ALA MB 2.000 . 6.500 3.056 2.780 3.298 . 0 0 "[ . 1 . 2]" 1
152 1 15 VAL MG1 1 27 CYS H 2.000 . 6.500 5.110 4.855 5.248 . 0 0 "[ . 1 . 2]" 1
153 1 13 ASP H 1 15 VAL QG 2.000 . 7.900 4.664 4.523 4.786 . 0 0 "[ . 1 . 2]" 1
154 1 15 VAL H 1 15 VAL MG2 2.000 . 5.500 1.976 1.877 2.190 . 0 0 "[ . 1 . 2]" 1
155 1 15 VAL QG 1 16 CYS H 2.000 . 7.900 3.491 3.429 3.538 . 0 0 "[ . 1 . 2]" 1
156 1 15 VAL QG 1 17 GLY H 2.000 . 7.900 4.177 3.949 4.404 . 0 0 "[ . 1 . 2]" 1
157 1 15 VAL QG 1 23 TYR H 2.000 . 7.900 3.124 2.993 3.292 . 0 0 "[ . 1 . 2]" 1
158 1 15 VAL QG 1 25 ASN H 2.000 . 7.900 3.430 3.194 3.588 . 0 0 "[ . 1 . 2]" 1
159 1 15 VAL MG2 1 25 ASN HA 2.000 . 5.500 3.070 2.835 3.483 . 0 0 "[ . 1 . 2]" 1
160 1 15 VAL MG2 1 26 ALA H 2.000 . 5.500 2.797 2.478 3.124 . 0 0 "[ . 1 . 2]" 1
161 1 15 VAL MG2 1 26 ALA MB 2.000 . 6.000 2.694 2.332 2.951 . 0 0 "[ . 1 . 2]" 1
162 1 15 VAL MG2 1 27 CYS H 2.000 . 6.500 4.497 4.234 4.755 . 0 0 "[ . 1 . 2]" 1
163 1 15 VAL QG 1 45 LYS H 2.000 . 7.900 4.408 4.117 4.718 . 0 0 "[ . 1 . 2]" 1
164 1 15 VAL QG 1 45 LYS QB 2.000 . 8.900 2.591 2.170 3.231 . 0 0 "[ . 1 . 2]" 1
165 1 15 VAL QG 1 46 GLY H 2.000 . 7.900 3.749 3.450 3.941 . 0 0 "[ . 1 . 2]" 1
166 1 15 VAL H 1 23 TYR H 2.000 . 3.500 3.512 3.408 3.549 0.049 12 0 "[ . 1 . 2]" 1
167 1 15 VAL H 1 46 GLY H 2.000 . 5.000 5.001 4.904 5.036 0.036 2 0 "[ . 1 . 2]" 1
168 1 16 CYS HA 1 16 CYS HB3 2.000 . 2.700 2.853 2.846 2.863 0.163 15 0 "[ . 1 . 2]" 1
169 1 16 CYS HA 1 17 GLY QA 2.000 . 6.000 3.873 3.855 3.888 . 0 0 "[ . 1 . 2]" 1
170 1 16 CYS HA 1 17 GLY H 2.000 . 2.700 2.132 2.111 2.158 . 0 0 "[ . 1 . 2]" 1
171 1 16 CYS HA 1 21 ILE H 2.000 . 5.000 4.389 4.252 4.530 . 0 0 "[ . 1 . 2]" 1
172 1 16 CYS HA 1 22 THR MG 2.000 . 5.500 3.232 3.019 3.512 . 0 0 "[ . 1 . 2]" 1
173 1 16 CYS HA 1 22 THR H 2.000 . 5.000 4.465 4.334 4.724 . 0 0 "[ . 1 . 2]" 1
174 1 16 CYS HA 1 22 THR HA 2.000 . 3.000 2.107 1.934 2.325 . 0 0 "[ . 1 . 2]" 1
175 1 16 CYS HA 1 23 TYR QE 2.000 . 7.400 4.196 4.046 4.273 . 0 0 "[ . 1 . 2]" 1
176 1 16 CYS HA 1 23 TYR H 2.000 . 3.500 3.180 3.006 3.341 . 0 0 "[ . 1 . 2]" 1
177 1 16 CYS HA 1 42 LEU MD1 2.000 . 6.500 4.420 4.171 4.613 . 0 0 "[ . 1 . 2]" 1
178 1 16 CYS HA 1 42 LEU MD2 2.000 . 6.500 4.345 3.659 5.006 . 0 0 "[ . 1 . 2]" 1
179 1 16 CYS HA 1 43 VAL H 2.000 . 5.000 5.108 5.045 5.179 0.179 4 0 "[ . 1 . 2]" 1
180 1 16 CYS HA 1 44 HIS HD2 2.000 . 5.000 4.403 4.389 4.420 . 0 0 "[ . 1 . 2]" 1
181 1 16 CYS HA 1 44 HIS H 2.000 . 5.000 4.773 4.719 4.845 . 0 0 "[ . 1 . 2]" 1
182 1 16 CYS HA 1 47 ARG HA 2.000 . 5.000 4.955 4.748 5.047 0.047 19 0 "[ . 1 . 2]" 1
183 1 16 CYS H 1 16 CYS HB2 2.000 . 2.700 2.076 2.057 2.092 . 0 0 "[ . 1 . 2]" 1
184 1 16 CYS HB2 1 17 GLY H 2.000 . 5.000 4.543 4.518 4.563 . 0 0 "[ . 1 . 2]" 1
185 1 16 CYS HB2 1 43 VAL H 2.000 . 5.000 4.898 4.774 4.981 . 0 0 "[ . 1 . 2]" 1
186 1 16 CYS HB2 1 44 HIS HD2 2.000 . 2.700 2.122 2.054 2.186 . 0 0 "[ . 1 . 2]" 1
187 1 16 CYS HB2 1 46 GLY H 2.000 . 5.000 2.912 2.747 3.116 . 0 0 "[ . 1 . 2]" 1
188 1 14 PRO QB 1 47 ARG H 2.000 . 6.000 4.508 4.185 5.013 . 0 0 "[ . 1 . 2]" 1
189 1 16 CYS HB2 1 48 CYS HB3 2.000 . 5.000 5.051 4.977 5.105 0.105 3 0 "[ . 1 . 2]" 1
190 1 16 CYS H 1 16 CYS HB3 2.000 . 3.500 3.117 3.098 3.132 . 0 0 "[ . 1 . 2]" 1
191 1 16 CYS HB3 1 17 GLY H 2.000 . 3.800 3.823 3.768 3.871 0.071 16 0 "[ . 1 . 2]" 1
192 1 16 CYS HB3 1 43 VAL H 2.000 . 5.000 3.955 3.787 4.051 . 0 0 "[ . 1 . 2]" 1
193 1 16 CYS HB3 1 44 HIS HD2 2.000 . 2.700 1.891 1.865 1.917 . 0 0 "[ . 1 . 2]" 1
194 1 16 CYS HB3 1 44 HIS H 2.000 . 3.500 2.947 2.820 3.021 . 0 0 "[ . 1 . 2]" 1
195 1 16 CYS HB3 1 48 CYS HB3 2.000 . 5.000 4.922 4.842 5.011 0.011 10 0 "[ . 1 . 2]" 1
196 1 16 CYS H 1 17 GLY H 2.000 . 5.000 4.439 4.397 4.484 . 0 0 "[ . 1 . 2]" 1
197 1 16 CYS H 1 22 THR HA 2.000 . 5.000 4.089 3.900 4.361 . 0 0 "[ . 1 . 2]" 1
198 1 16 CYS H 1 23 TYR H 2.000 . 5.000 4.687 4.555 4.818 . 0 0 "[ . 1 . 2]" 1
199 1 16 CYS H 1 43 VAL H 2.000 . 5.000 4.458 4.373 4.514 . 0 0 "[ . 1 . 2]" 1
200 1 17 GLY H 1 23 TYR H 2.000 . 3.500 3.562 3.532 3.605 0.105 5 0 "[ . 1 . 2]" 1
201 1 17 GLY QA 1 18 SER H 2.000 . 4.500 2.072 2.045 2.103 . 0 0 "[ . 1 . 2]" 1
202 1 17 GLY QA 1 21 ILE H 2.000 . 6.000 4.295 4.228 4.360 . 0 0 "[ . 1 . 2]" 1
203 1 17 GLY QA 1 29 LEU MD1 2.000 . 7.500 2.694 2.214 3.084 . 0 0 "[ . 1 . 2]" 1
204 1 17 GLY QA 1 19 ASP H 2.000 . 6.000 4.546 4.496 4.609 . 0 0 "[ . 1 . 2]" 1
205 1 17 GLY QA 1 23 TYR QE 2.000 . 6.900 1.817 1.759 1.863 0.041 4 0 "[ . 1 . 2]" 1
206 1 17 GLY QA 1 40 ILE MD 2.000 . 6.500 4.602 4.271 4.740 . 0 0 "[ . 1 . 2]" 1
207 1 17 GLY QA 1 43 VAL H 2.000 . 6.000 2.767 2.576 2.995 . 0 0 "[ . 1 . 2]" 1
208 1 17 GLY QA 1 44 HIS H 2.000 . 6.000 4.077 3.912 4.306 . 0 0 "[ . 1 . 2]" 1
209 1 17 GLY QA 1 29 LEU MD2 2.000 . 7.500 3.024 2.838 3.202 . 0 0 "[ . 1 . 2]" 1
210 1 17 GLY QA 1 40 ILE QG 2.000 . 7.000 3.528 3.032 3.818 . 0 0 "[ . 1 . 2]" 1
211 1 17 GLY QA 1 41 GLU H 2.000 . 6.000 3.629 3.411 4.080 . 0 0 "[ . 1 . 2]" 1
212 1 17 GLY QA 1 42 LEU HA 2.000 . 3.700 1.719 1.633 1.803 0.167 11 0 "[ . 1 . 2]" 1
213 1 17 GLY QA 1 42 LEU HB3 2.000 . 5.000 4.331 4.301 4.371 . 0 0 "[ . 1 . 2]" 1
214 1 17 GLY QA 1 43 VAL QG 2.000 . 8.900 2.573 1.996 3.036 . 0 0 "[ . 1 . 2]" 1
215 1 18 SER HA 1 19 ASP H 2.000 . 3.500 2.098 2.077 2.126 . 0 0 "[ . 1 . 2]" 1
216 1 18 SER HA 1 20 GLY H 2.000 . 5.000 3.530 3.459 3.610 . 0 0 "[ . 1 . 2]" 1
217 1 18 SER HA 1 20 GLY QA 2.000 . 6.000 4.946 4.897 5.013 . 0 0 "[ . 1 . 2]" 1
218 1 18 SER HA 1 23 TYR QE 2.000 . 7.400 5.713 5.633 5.783 . 0 0 "[ . 1 . 2]" 1
219 1 18 SER HA 1 41 GLU H 2.000 . 5.000 4.037 3.922 4.239 . 0 0 "[ . 1 . 2]" 1
220 1 18 SER H 1 18 SER QB 2.000 . 4.500 2.257 2.167 2.401 . 0 0 "[ . 1 . 2]" 1
221 1 18 SER QB 1 41 GLU QB 2.000 . 5.500 1.998 1.794 3.312 0.006 4 0 "[ . 1 . 2]" 1
222 1 18 SER QB 1 41 GLU H 2.000 . 6.000 1.931 1.825 2.971 . 0 0 "[ . 1 . 2]" 1
223 1 18 SER QB 1 43 VAL MG1 2.000 . 6.000 3.574 2.005 4.420 . 0 0 "[ . 1 . 2]" 1
224 1 18 SER QB 1 43 VAL MG2 2.000 . 6.000 2.892 2.008 4.449 . 0 0 "[ . 1 . 2]" 1
225 1 19 ASP HA 1 20 GLY H 2.000 . 3.500 3.445 3.430 3.462 . 0 0 "[ . 1 . 2]" 1
226 1 19 ASP H 1 19 ASP QB 2.000 . 4.500 3.054 3.033 3.090 . 0 0 "[ . 1 . 2]" 1
227 1 19 ASP QB 1 20 GLY H 2.000 . 6.000 2.927 2.785 3.034 . 0 0 "[ . 1 . 2]" 1
228 1 19 ASP QB 1 40 ILE MD 2.000 . 7.500 4.378 3.904 4.691 . 0 0 "[ . 1 . 2]" 1
229 1 19 ASP QB 1 21 ILE MD 2.000 . 7.000 4.206 2.691 5.100 . 0 0 "[ . 1 . 2]" 1
230 1 19 ASP QB 1 21 ILE H 2.000 . 5.000 3.270 3.014 3.483 . 0 0 "[ . 1 . 2]" 1
231 1 17 GLY H 1 19 ASP H 2.000 . 5.000 5.159 5.135 5.188 0.188 4 0 "[ . 1 . 2]" 1
232 1 20 GLY QA 1 21 ILE H 2.000 . 4.500 2.812 2.788 2.847 . 0 0 "[ . 1 . 2]" 1
233 1 21 ILE HA 1 22 THR H 2.000 . 2.700 2.173 2.129 2.256 . 0 0 "[ . 1 . 2]" 1
234 1 17 GLY QA 1 42 LEU QD 2.000 . 7.400 2.314 1.984 2.716 . 0 0 "[ . 1 . 2]" 1
235 1 17 GLY H 1 21 ILE HB 2.000 . 5.000 4.015 3.746 4.313 . 0 0 "[ . 1 . 2]" 1
236 1 21 ILE H 1 21 ILE HB 2.000 . 2.700 2.675 2.506 2.762 0.062 19 0 "[ . 1 . 2]" 1
237 1 21 ILE HB 1 22 THR H 2.000 . 5.000 4.085 3.807 4.357 . 0 0 "[ . 1 . 2]" 1
238 1 21 ILE HB 1 23 TYR QE 2.000 . 5.900 2.872 2.622 3.228 . 0 0 "[ . 1 . 2]" 1
239 1 20 GLY H 1 21 ILE MD 2.000 . 6.500 4.825 3.433 5.516 . 0 0 "[ . 1 . 2]" 1
240 1 21 ILE H 1 21 ILE MD 2.000 . 6.500 3.747 2.482 4.557 . 0 0 "[ . 1 . 2]" 1
241 1 21 ILE MD 1 22 THR H 2.000 . 5.000 3.604 3.076 4.148 . 0 0 "[ . 1 . 2]" 1
242 1 21 ILE MD 1 23 TYR QE 2.000 . 8.900 4.217 2.674 4.611 . 0 0 "[ . 1 . 2]" 1
243 1 21 ILE H 1 21 ILE QG 2.000 . 4.500 3.237 2.554 4.083 . 0 0 "[ . 1 . 2]" 1
244 1 21 ILE QG 1 22 THR H 2.000 . 6.000 4.219 3.344 4.531 . 0 0 "[ . 1 . 2]" 1
245 1 17 GLY H 1 21 ILE MG 2.000 . 6.500 4.184 3.704 4.542 . 0 0 "[ . 1 . 2]" 1
246 1 20 GLY H 1 21 ILE MG 2.000 . 6.500 5.437 5.293 5.498 . 0 0 "[ . 1 . 2]" 1
247 1 21 ILE H 1 21 ILE MG 2.000 . 5.000 3.825 3.611 3.903 . 0 0 "[ . 1 . 2]" 1
248 1 21 ILE MG 1 22 THR H 2.000 . 4.200 2.276 1.908 2.706 . 0 0 "[ . 1 . 2]" 1
249 1 21 ILE MG 1 23 TYR HA 2.000 . 6.500 3.322 3.206 3.525 . 0 0 "[ . 1 . 2]" 1
250 1 21 ILE MG 1 23 TYR QE 2.000 . 7.400 2.394 2.126 2.940 . 0 0 "[ . 1 . 2]" 1
251 1 21 ILE MG 1 23 TYR H 2.000 . 6.500 3.343 3.060 3.724 . 0 0 "[ . 1 . 2]" 1
252 1 21 ILE MG 1 24 GLY H 2.000 . 6.500 4.971 4.857 5.147 . 0 0 "[ . 1 . 2]" 1
253 1 17 GLY H 1 21 ILE H 2.000 . 3.500 3.266 3.190 3.353 . 0 0 "[ . 1 . 2]" 1
254 1 20 GLY H 1 21 ILE H 2.000 . 2.700 2.068 1.993 2.154 . 0 0 "[ . 1 . 2]" 1
255 1 21 ILE H 1 23 TYR QE 2.000 . 7.400 3.654 3.390 3.888 . 0 0 "[ . 1 . 2]" 1
256 1 16 CYS HB2 1 22 THR HA 2.000 . 5.000 4.214 3.948 4.513 . 0 0 "[ . 1 . 2]" 1
257 1 16 CYS HB3 1 22 THR HA 2.000 . 5.000 4.754 4.519 5.015 0.015 11 0 "[ . 1 . 2]" 1
258 1 17 GLY H 1 22 THR HA 2.000 . 3.500 3.432 3.328 3.519 0.019 5 0 "[ . 1 . 2]" 1
259 1 21 ILE MG 1 22 THR HA 2.000 . 6.500 3.662 3.416 3.868 . 0 0 "[ . 1 . 2]" 1
260 1 22 THR HA 1 23 TYR HB2 2.000 . 5.000 4.655 4.622 4.688 . 0 0 "[ . 1 . 2]" 1
261 1 22 THR HA 1 23 TYR QE 2.000 . 7.400 4.739 4.579 4.908 . 0 0 "[ . 1 . 2]" 1
262 1 22 THR HA 1 23 TYR HA 2.000 . 5.000 4.428 4.414 4.435 . 0 0 "[ . 1 . 2]" 1
263 1 22 THR HA 1 23 TYR H 2.000 . 2.700 2.162 2.144 2.174 . 0 0 "[ . 1 . 2]" 1
264 1 14 PRO QG 1 22 THR HB 2.000 . 6.000 5.389 5.245 5.445 . 0 0 "[ . 1 . 2]" 1
265 1 22 THR H 1 22 THR HB 2.000 . 3.500 2.771 2.642 2.916 . 0 0 "[ . 1 . 2]" 1
266 1 22 THR HB 1 23 TYR H 2.000 . 5.000 4.286 4.190 4.363 . 0 0 "[ . 1 . 2]" 1
267 1 15 VAL H 1 22 THR MG 2.000 . 5.000 3.622 3.381 3.848 . 0 0 "[ . 1 . 2]" 1
268 1 16 CYS H 1 22 THR MG 2.000 . 5.000 3.538 3.314 3.764 . 0 0 "[ . 1 . 2]" 1
269 1 17 GLY H 1 22 THR MG 2.000 . 6.500 4.917 4.741 5.115 . 0 0 "[ . 1 . 2]" 1
270 1 21 ILE MG 1 22 THR MG 2.000 . 7.500 4.653 4.447 4.816 . 0 0 "[ . 1 . 2]" 1
271 1 22 THR H 1 22 THR MG 2.000 . 5.000 3.822 3.770 3.874 . 0 0 "[ . 1 . 2]" 1
272 1 22 THR MG 1 23 TYR QE 2.000 . 8.900 6.004 5.887 6.137 . 0 0 "[ . 1 . 2]" 1
273 1 22 THR MG 1 23 TYR H 2.000 . 4.200 3.368 3.250 3.445 . 0 0 "[ . 1 . 2]" 1
274 1 22 THR MG 1 24 GLY H 2.000 . 6.500 4.971 4.764 5.237 . 0 0 "[ . 1 . 2]" 1
275 1 22 THR MG 1 47 ARG H 2.000 . 5.500 3.726 3.470 3.919 . 0 0 "[ . 1 . 2]" 1
276 1 17 GLY H 1 22 THR H 2.000 . 5.000 4.966 4.916 5.017 0.017 7 0 "[ . 1 . 2]" 1
277 1 22 THR H 1 23 TYR H 2.000 . 5.000 4.106 4.025 4.164 . 0 0 "[ . 1 . 2]" 1
278 1 23 TYR HA 1 24 GLY QA 2.000 . 6.000 3.885 3.876 3.892 . 0 0 "[ . 1 . 2]" 1
279 1 23 TYR HA 1 24 GLY H 2.000 . 2.700 2.123 2.109 2.143 . 0 0 "[ . 1 . 2]" 1
280 1 23 TYR HA 1 29 LEU HG 2.000 . 5.000 4.767 4.578 5.012 0.012 1 0 "[ . 1 . 2]" 1
281 1 15 VAL QG 1 23 TYR HB2 2.000 . 5.600 2.185 1.916 2.394 . 0 0 "[ . 1 . 2]" 1
282 1 15 VAL H 1 23 TYR HB2 2.000 . 5.000 3.362 3.252 3.433 . 0 0 "[ . 1 . 2]" 1
283 1 17 GLY H 1 23 TYR HB2 2.000 . 5.000 4.984 4.855 5.044 0.044 10 0 "[ . 1 . 2]" 1
284 1 23 TYR H 1 23 TYR HB2 2.000 . 2.700 2.522 2.484 2.545 . 0 0 "[ . 1 . 2]" 1
285 1 23 TYR HB2 1 24 GLY H 2.000 . 5.000 4.177 4.130 4.227 . 0 0 "[ . 1 . 2]" 1
286 1 23 TYR HB2 1 25 ASN H 2.000 . 3.500 3.294 3.194 3.392 . 0 0 "[ . 1 . 2]" 1
287 1 23 TYR HB2 1 29 LEU HB2 2.000 . 5.000 3.496 3.417 3.692 . 0 0 "[ . 1 . 2]" 1
288 1 23 TYR HB2 1 29 LEU HG 2.000 . 3.500 2.254 2.087 2.369 . 0 0 "[ . 1 . 2]" 1
289 1 23 TYR HB2 1 29 LEU QD 2.000 . 7.900 3.179 3.101 3.249 . 0 0 "[ . 1 . 2]" 1
290 1 23 TYR HB2 1 29 LEU H 2.000 . 5.000 3.841 3.699 3.978 . 0 0 "[ . 1 . 2]" 1
291 1 15 VAL QG 1 23 TYR HB3 2.000 . 6.400 3.512 3.283 3.690 . 0 0 "[ . 1 . 2]" 1
292 1 23 TYR H 1 23 TYR HB3 2.000 . 3.500 3.570 3.560 3.582 0.082 4 0 "[ . 1 . 2]" 1
293 1 23 TYR HB3 1 24 GLY H 2.000 . 3.500 3.401 3.281 3.474 . 0 0 "[ . 1 . 2]" 1
294 1 23 TYR HB3 1 29 LEU HB3 2.000 . 5.000 4.791 4.682 4.881 . 0 0 "[ . 1 . 2]" 1
295 1 23 TYR HB3 1 29 LEU QD 2.000 . 7.900 3.189 3.102 3.305 . 0 0 "[ . 1 . 2]" 1
296 1 15 VAL H 1 23 TYR QE 2.000 . 7.400 6.643 6.590 6.699 . 0 0 "[ . 1 . 2]" 1
297 1 17 GLY H 1 23 TYR QE 2.000 . 5.900 2.254 2.098 2.360 . 0 0 "[ . 1 . 2]" 1
298 1 23 TYR H 1 23 TYR QE 2.000 . 5.900 3.991 3.890 4.071 . 0 0 "[ . 1 . 2]" 1
299 1 23 TYR QE 1 24 GLY H 2.000 . 7.400 6.338 6.216 6.416 . 0 0 "[ . 1 . 2]" 1
300 1 12 TYR QD 1 24 GLY QA 2.000 . 8.400 3.263 2.518 4.488 . 0 0 "[ . 1 . 2]" 1
301 1 12 TYR QE 1 24 GLY QA 2.000 . 8.400 3.060 1.859 4.505 . 0 0 "[ . 1 . 2]" 1
302 1 13 ASP H 1 24 GLY QA 2.000 . 6.000 3.847 3.686 4.008 . 0 0 "[ . 1 . 2]" 1
303 1 24 GLY QA 1 25 ASN H 2.000 . 3.700 2.794 2.758 2.834 . 0 0 "[ . 1 . 2]" 1
304 1 23 TYR H 1 24 GLY H 2.000 . 5.000 4.483 4.456 4.518 . 0 0 "[ . 1 . 2]" 1
305 1 13 ASP HB2 1 25 ASN HA 2.000 . 5.000 3.812 3.445 4.122 . 0 0 "[ . 1 . 2]" 1
306 1 13 ASP HB3 1 25 ASN HA 2.000 . 5.000 2.879 2.471 3.273 . 0 0 "[ . 1 . 2]" 1
307 1 13 ASP H 1 25 ASN HA 2.000 . 3.500 3.612 3.535 3.677 0.177 20 0 "[ . 1 . 2]" 1
308 1 15 VAL H 1 25 ASN HA 2.000 . 3.500 3.444 3.247 3.536 0.036 12 0 "[ . 1 . 2]" 1
309 1 23 TYR HB3 1 25 ASN HA 2.000 . 5.000 5.106 5.056 5.164 0.164 3 0 "[ . 1 . 2]" 1
310 1 25 ASN HA 1 26 ALA H 2.000 . 2.700 2.261 2.225 2.310 . 0 0 "[ . 1 . 2]" 1
311 1 25 ASN HA 1 27 CYS H 2.000 . 3.800 3.860 3.805 3.938 0.138 1 0 "[ . 1 . 2]" 1
312 1 25 ASN HA 1 28 MET H 2.000 . 5.000 4.402 4.253 4.519 . 0 0 "[ . 1 . 2]" 1
313 1 11 GLN H 1 25 ASN QB 2.000 . 6.000 5.193 4.750 5.501 . 0 0 "[ . 1 . 2]" 1
314 1 13 ASP HB3 1 25 ASN QB 2.000 . 6.000 3.662 2.405 4.586 . 0 0 "[ . 1 . 2]" 1
315 1 25 ASN H 1 25 ASN QB 2.000 . 4.500 3.202 2.916 3.463 . 0 0 "[ . 1 . 2]" 1
316 1 25 ASN QB 1 26 ALA H 2.000 . 3.700 2.766 2.567 2.907 . 0 0 "[ . 1 . 2]" 1
317 1 25 ASN QB 1 27 CYS H 2.000 . 4.500 2.326 2.191 2.415 . 0 0 "[ . 1 . 2]" 1
318 1 13 ASP H 1 25 ASN QB 2.000 . 4.500 3.428 2.584 4.109 . 0 0 "[ . 1 . 2]" 1
319 1 25 ASN QB 1 28 MET QG 2.000 . 7.000 2.960 1.831 4.175 . 0 0 "[ . 1 . 2]" 1
320 1 9 THR H 1 25 ASN QD 2.000 . 5.000 3.454 2.796 3.728 . 0 0 "[ . 1 . 2]" 1
321 1 11 GLN H 1 25 ASN QD 2.000 . 5.000 3.412 2.928 3.683 . 0 0 "[ . 1 . 2]" 1
322 1 11 GLN HA 1 25 ASN QD 2.000 . 6.000 5.083 4.669 5.456 . 0 0 "[ . 1 . 2]" 1
323 1 13 ASP H 1 25 ASN QD 2.000 . 6.000 3.127 2.770 3.769 . 0 0 "[ . 1 . 2]" 1
324 1 25 ASN QD 1 26 ALA H 2.000 . 6.000 5.271 5.186 5.346 . 0 0 "[ . 1 . 2]" 1
325 1 25 ASN QD 1 27 CYS HB3 2.000 . 6.000 5.082 4.789 5.323 . 0 0 "[ . 1 . 2]" 1
326 1 25 ASN QD 1 27 CYS HB2 2.000 . 6.000 4.348 4.114 4.469 . 0 0 "[ . 1 . 2]" 1
327 1 23 TYR H 1 25 ASN H 2.000 . 5.000 4.934 4.866 5.000 0.000 15 0 "[ . 1 . 2]" 1
328 1 24 GLY H 1 25 ASN H 2.000 . 2.700 2.858 2.816 2.899 0.199 4 0 "[ . 1 . 2]" 1
329 1 25 ASN H 1 26 ALA H 2.000 . 5.000 4.256 4.208 4.306 . 0 0 "[ . 1 . 2]" 1
330 1 25 ASN H 1 27 CYS H 2.000 . 5.000 4.564 4.445 4.660 . 0 0 "[ . 1 . 2]" 1
331 1 25 ASN H 1 28 MET H 2.000 . 3.500 3.546 3.392 3.620 0.120 12 0 "[ . 1 . 2]" 1
332 1 26 ALA HA 1 27 CYS H 2.000 . 3.500 3.434 3.420 3.448 . 0 0 "[ . 1 . 2]" 1
333 1 26 ALA HA 1 28 MET H 2.000 . 5.000 4.717 4.655 4.806 . 0 0 "[ . 1 . 2]" 1
334 1 26 ALA HA 1 29 LEU HB3 2.000 . 3.500 3.350 3.153 3.475 . 0 0 "[ . 1 . 2]" 1
335 1 26 ALA HA 1 29 LEU H 2.000 . 3.500 3.467 3.377 3.509 0.009 3 0 "[ . 1 . 2]" 1
336 1 26 ALA HA 1 29 LEU QD 2.000 . 7.900 2.577 2.321 2.796 . 0 0 "[ . 1 . 2]" 1
337 1 26 ALA H 1 29 LEU H 2.000 . 5.000 4.666 4.592 4.745 . 0 0 "[ . 1 . 2]" 1
338 1 26 ALA HA 1 30 LEU H 2.000 . 5.000 4.399 4.207 4.528 . 0 0 "[ . 1 . 2]" 1
339 1 26 ALA H 1 26 ALA MB 2.000 . 3.800 2.128 2.039 2.238 . 0 0 "[ . 1 . 2]" 1
340 1 26 ALA MB 1 27 CYS H 2.000 . 4.200 2.897 2.822 2.981 . 0 0 "[ . 1 . 2]" 1
341 1 26 ALA MB 1 28 MET H 2.000 . 6.500 4.825 4.752 4.891 . 0 0 "[ . 1 . 2]" 1
342 1 26 ALA MB 1 29 LEU HB3 2.000 . 6.500 4.164 4.001 4.310 . 0 0 "[ . 1 . 2]" 1
343 1 26 ALA MB 1 29 LEU H 2.000 . 6.500 4.531 4.489 4.571 . 0 0 "[ . 1 . 2]" 1
344 1 26 ALA MB 1 30 LEU H 2.000 . 6.500 4.631 4.452 4.781 . 0 0 "[ . 1 . 2]" 1
345 1 26 ALA MB 1 27 CYS HA 2.000 . 6.000 3.889 3.831 3.959 . 0 0 "[ . 1 . 2]" 1
346 1 27 CYS HA 1 27 CYS HB3 2.000 . 2.700 2.725 2.596 2.787 0.087 12 0 "[ . 1 . 2]" 1
347 1 27 CYS HA 1 28 MET H 2.000 . 3.500 3.559 3.546 3.571 0.071 8 0 "[ . 1 . 2]" 1
348 1 27 CYS HA 1 29 LEU H 2.000 . 5.000 3.851 3.727 3.996 . 0 0 "[ . 1 . 2]" 1
349 1 27 CYS HA 1 30 LEU HB3 2.000 . 4.000 4.026 3.964 4.062 0.062 17 0 "[ . 1 . 2]" 1
350 1 27 CYS HA 1 30 LEU HB2 2.000 . 3.500 2.378 2.336 2.423 . 0 0 "[ . 1 . 2]" 1
351 1 27 CYS HA 1 30 LEU QD 2.000 . 6.400 2.373 1.848 3.017 . 0 0 "[ . 1 . 2]" 1
352 1 27 CYS HA 1 30 LEU H 2.000 . 3.500 2.748 2.634 2.866 . 0 0 "[ . 1 . 2]" 1
353 1 27 CYS HA 1 31 CYS H 2.000 . 5.000 4.385 4.268 4.562 . 0 0 "[ . 1 . 2]" 1
354 1 8 CYS HB3 1 27 CYS HB3 2.000 . 5.000 4.133 3.421 5.029 0.029 15 0 "[ . 1 . 2]" 1
355 1 8 CYS HB2 1 27 CYS HB3 2.000 . 5.000 2.593 1.929 3.451 . 0 0 "[ . 1 . 2]" 1
356 1 27 CYS H 1 27 CYS HB3 2.000 . 3.500 3.421 3.330 3.553 0.053 1 0 "[ . 1 . 2]" 1
357 1 27 CYS HB3 1 28 MET H 2.000 . 3.500 2.979 2.687 3.388 . 0 0 "[ . 1 . 2]" 1
358 1 8 CYS HB3 1 27 CYS HB2 2.000 . 3.500 3.281 3.023 3.576 0.076 12 0 "[ . 1 . 2]" 1
359 1 8 CYS HB2 1 27 CYS HB2 2.000 . 5.000 2.059 1.859 2.258 . 0 0 "[ . 1 . 2]" 1
360 1 26 ALA H 1 27 CYS HB2 2.000 . 5.000 4.640 4.549 4.825 . 0 0 "[ . 1 . 2]" 1
361 1 27 CYS H 1 27 CYS HB2 2.000 . 3.500 2.162 2.120 2.282 . 0 0 "[ . 1 . 2]" 1
362 1 27 CYS HB2 1 28 MET QG 2.000 . 6.000 4.361 3.971 5.212 . 0 0 "[ . 1 . 2]" 1
363 1 27 CYS HB2 1 28 MET H 2.000 . 2.700 2.754 2.689 2.821 0.121 12 0 "[ . 1 . 2]" 1
364 1 26 ALA H 1 27 CYS H 2.000 . 2.700 2.734 2.681 2.779 0.079 13 0 "[ . 1 . 2]" 1
365 1 27 CYS H 1 28 MET H 2.000 . 2.700 2.483 2.407 2.582 . 0 0 "[ . 1 . 2]" 1
366 1 28 MET HA 1 29 LEU H 2.000 . 3.500 3.452 3.435 3.480 . 0 0 "[ . 1 . 2]" 1
367 1 28 MET HA 1 30 LEU H 2.000 . 5.000 4.507 4.373 4.598 . 0 0 "[ . 1 . 2]" 1
368 1 28 MET HA 1 31 CYS QB 2.000 . 4.500 2.558 2.260 2.789 . 0 0 "[ . 1 . 2]" 1
369 1 28 MET HA 1 31 CYS H 2.000 . 3.500 3.277 3.162 3.341 . 0 0 "[ . 1 . 2]" 1
370 1 28 MET HA 1 32 ALA H 2.000 . 5.000 4.459 4.319 4.750 . 0 0 "[ . 1 . 2]" 1
371 1 23 TYR QE 1 28 MET HB2 2.000 . 7.400 6.617 6.378 6.769 . 0 0 "[ . 1 . 2]" 1
372 1 24 GLY H 1 28 MET HB2 2.000 . 3.500 3.578 3.439 3.693 0.193 15 0 "[ . 1 . 2]" 1
373 1 25 ASN QD 1 28 MET HB2 2.000 . 6.000 4.407 4.136 4.601 . 0 0 "[ . 1 . 2]" 1
374 1 25 ASN H 1 28 MET HB2 2.000 . 2.700 1.983 1.850 2.178 . 0 0 "[ . 1 . 2]" 1
375 1 26 ALA H 1 28 MET HB2 2.000 . 5.000 5.097 5.031 5.170 0.170 10 0 "[ . 1 . 2]" 1
376 1 27 CYS H 1 28 MET HB2 2.000 . 5.000 4.278 4.162 4.392 . 0 0 "[ . 1 . 2]" 1
377 1 28 MET H 1 28 MET HB2 2.000 . 2.700 2.357 2.216 2.503 . 0 0 "[ . 1 . 2]" 1
378 1 28 MET HB2 1 29 LEU HG 2.000 . 5.000 5.038 4.925 5.140 0.140 20 0 "[ . 1 . 2]" 1
379 1 28 MET HB2 1 29 LEU H 2.000 . 3.500 2.590 2.474 2.775 . 0 0 "[ . 1 . 2]" 1
380 1 28 MET HB2 1 31 CYS H 2.000 . 5.000 5.210 5.117 5.289 0.289 8 0 "[ . 1 . 2]" 1
381 1 23 TYR QE 1 28 MET HB3 2.000 . 7.400 6.102 5.827 6.480 . 0 0 "[ . 1 . 2]" 1
382 1 24 GLY H 1 28 MET HB3 2.000 . 5.000 3.598 3.320 3.824 . 0 0 "[ . 1 . 2]" 1
383 1 25 ASN QD 1 28 MET HB3 2.000 . 6.000 5.293 5.160 5.516 . 0 0 "[ . 1 . 2]" 1
384 1 25 ASN H 1 28 MET HB3 2.000 . 3.500 3.353 3.203 3.459 . 0 0 "[ . 1 . 2]" 1
385 1 28 MET H 1 28 MET HB3 2.000 . 3.500 3.554 3.513 3.578 0.078 19 0 "[ . 1 . 2]" 1
386 1 28 MET HB3 1 29 LEU H 2.000 . 3.500 3.444 3.221 3.576 0.076 17 0 "[ . 1 . 2]" 1
387 1 28 MET HB3 1 31 CYS H 2.000 . 5.000 4.864 4.784 5.020 0.020 7 0 "[ . 1 . 2]" 1
388 1 28 MET HB3 1 32 ALA H 2.000 . 5.000 4.901 4.748 5.050 0.050 11 0 "[ . 1 . 2]" 1
389 1 25 ASN QD 1 28 MET QG 2.000 . 7.000 2.697 2.425 3.084 . 0 0 "[ . 1 . 2]" 1
390 1 25 ASN H 1 28 MET QG 2.000 . 4.500 2.940 2.378 3.872 . 0 0 "[ . 1 . 2]" 1
391 1 27 CYS H 1 28 MET QG 2.000 . 6.000 4.575 4.122 5.144 . 0 0 "[ . 1 . 2]" 1
392 1 28 MET H 1 28 MET QG 2.000 . 3.700 2.600 2.233 3.254 . 0 0 "[ . 1 . 2]" 1
393 1 28 MET QG 1 29 LEU H 2.000 . 6.000 4.088 3.876 4.406 . 0 0 "[ . 1 . 2]" 1
394 1 28 MET QG 1 31 CYS H 2.000 . 6.000 5.254 5.060 5.462 . 0 0 "[ . 1 . 2]" 1
395 1 26 ALA H 1 28 MET H 2.000 . 5.000 4.433 4.309 4.537 . 0 0 "[ . 1 . 2]" 1
396 1 23 TYR QE 1 29 LEU HA 2.000 . 7.400 3.977 3.750 4.264 . 0 0 "[ . 1 . 2]" 1
397 1 29 LEU HA 1 30 LEU H 2.000 . 3.500 3.523 3.517 3.529 0.029 19 0 "[ . 1 . 2]" 1
398 1 29 LEU HA 1 31 CYS H 2.000 . 5.000 3.873 3.781 3.944 . 0 0 "[ . 1 . 2]" 1
399 1 29 LEU HA 1 32 ALA MB 2.000 . 3.200 2.030 1.839 2.363 . 0 0 "[ . 1 . 2]" 1
400 1 29 LEU HA 1 32 ALA H 2.000 . 3.500 2.850 2.797 2.916 . 0 0 "[ . 1 . 2]" 1
401 1 29 LEU HA 1 33 SER H 2.000 . 5.000 3.777 3.665 3.870 . 0 0 "[ . 1 . 2]" 1
402 1 23 TYR QE 1 29 LEU HG 2.000 . 5.900 3.743 3.616 3.989 . 0 0 "[ . 1 . 2]" 1
403 1 23 TYR H 1 29 LEU HG 2.000 . 5.000 4.067 3.966 4.293 . 0 0 "[ . 1 . 2]" 1
404 1 27 CYS H 1 29 LEU HB3 2.000 . 5.000 5.182 5.132 5.219 0.219 2 0 "[ . 1 . 2]" 1
405 1 29 LEU H 1 29 LEU HB3 2.000 . 3.500 3.170 3.152 3.188 . 0 0 "[ . 1 . 2]" 1
406 1 29 LEU HB3 1 30 LEU H 2.000 . 3.500 2.427 2.324 2.540 . 0 0 "[ . 1 . 2]" 1
407 1 29 LEU HB3 1 31 CYS H 2.000 . 5.000 4.572 4.522 4.622 . 0 0 "[ . 1 . 2]" 1
408 1 29 LEU HB3 1 32 ALA H 2.000 . 5.000 4.630 4.595 4.696 . 0 0 "[ . 1 . 2]" 1
409 1 29 LEU HB3 1 33 SER H 2.000 . 5.000 4.522 4.402 4.643 . 0 0 "[ . 1 . 2]" 1
410 1 23 TYR QE 1 29 LEU HB2 2.000 . 7.400 5.587 5.482 5.732 . 0 0 "[ . 1 . 2]" 1
411 1 27 CYS H 1 29 LEU HB2 2.000 . 5.000 3.976 3.899 4.051 . 0 0 "[ . 1 . 2]" 1
412 1 29 LEU H 1 29 LEU HB2 2.000 . 2.700 1.965 1.948 1.982 . 0 0 "[ . 1 . 2]" 1
413 1 29 LEU HB2 1 30 LEU H 2.000 . 2.700 2.846 2.818 2.875 0.175 11 0 "[ . 1 . 2]" 1
414 1 23 TYR QE 1 29 LEU MD1 2.000 . 8.900 3.379 3.107 3.742 . 0 0 "[ . 1 . 2]" 1
415 1 29 LEU H 1 29 LEU MD1 2.000 . 6.500 4.193 4.140 4.245 . 0 0 "[ . 1 . 2]" 1
416 1 29 LEU MD1 1 30 LEU H 2.000 . 5.500 4.190 4.094 4.291 . 0 0 "[ . 1 . 2]" 1
417 1 29 LEU QD 1 30 LEU HG 2.000 . 7.900 4.541 4.356 4.783 . 0 0 "[ . 1 . 2]" 1
418 1 29 LEU QD 1 32 ALA H 2.000 . 7.900 3.630 3.590 3.696 . 0 0 "[ . 1 . 2]" 1
419 1 29 LEU QD 1 33 SER HA 2.000 . 7.900 4.502 4.322 4.733 . 0 0 "[ . 1 . 2]" 1
420 1 29 LEU MD1 1 33 SER H 2.000 . 6.000 4.957 4.881 5.006 . 0 0 "[ . 1 . 2]" 1
421 1 29 LEU QD 1 34 ALA H 2.000 . 7.900 5.239 5.143 5.392 . 0 0 "[ . 1 . 2]" 1
422 1 29 LEU MD1 1 41 GLU H 2.000 . 6.500 4.667 4.126 5.012 . 0 0 "[ . 1 . 2]" 1
423 1 29 LEU MD2 1 41 GLU H 2.000 . 6.500 4.891 4.451 5.235 . 0 0 "[ . 1 . 2]" 1
424 1 29 LEU QD 1 42 LEU H 2.000 . 7.900 3.131 2.514 4.560 . 0 0 "[ . 1 . 2]" 1
425 1 23 TYR QE 1 29 LEU MD2 2.000 . 8.900 2.392 2.350 2.454 . 0 0 "[ . 1 . 2]" 1
426 1 23 TYR H 1 29 LEU QD 2.000 . 6.400 4.112 4.051 4.181 . 0 0 "[ . 1 . 2]" 1
427 1 24 GLY H 1 29 LEU QD 2.000 . 7.900 5.739 5.602 5.816 . 0 0 "[ . 1 . 2]" 1
428 1 25 ASN H 1 29 LEU QD 2.000 . 7.900 5.100 4.993 5.220 . 0 0 "[ . 1 . 2]" 1
429 1 29 LEU H 1 29 LEU MD2 2.000 . 5.000 3.852 3.758 3.938 . 0 0 "[ . 1 . 2]" 1
430 1 29 LEU MD2 1 30 LEU H 2.000 . 5.500 4.091 3.987 4.193 . 0 0 "[ . 1 . 2]" 1
431 1 29 LEU QD 1 31 CYS H 2.000 . 7.900 4.619 4.558 4.679 . 0 0 "[ . 1 . 2]" 1
432 1 29 LEU MD2 1 33 SER H 2.000 . 5.500 3.111 3.000 3.336 . 0 0 "[ . 1 . 2]" 1
433 1 29 LEU H 1 29 LEU HG 2.000 . 3.500 3.570 3.528 3.611 0.111 7 0 "[ . 1 . 2]" 1
434 1 27 CYS H 1 29 LEU H 2.000 . 5.000 3.477 3.382 3.562 . 0 0 "[ . 1 . 2]" 1
435 1 28 MET H 1 29 LEU H 2.000 . 3.500 2.557 2.491 2.607 . 0 0 "[ . 1 . 2]" 1
436 1 29 LEU H 1 30 LEU H 2.000 . 3.500 2.724 2.650 2.792 . 0 0 "[ . 1 . 2]" 1
437 1 29 LEU H 1 31 CYS H 2.000 . 5.000 3.760 3.657 3.810 . 0 0 "[ . 1 . 2]" 1
438 1 30 LEU HA 1 31 CYS H 2.000 . 3.500 3.501 3.485 3.521 0.021 14 0 "[ . 1 . 2]" 1
439 1 30 LEU HA 1 32 ALA H 2.000 . 5.000 4.156 4.070 4.206 . 0 0 "[ . 1 . 2]" 1
440 1 30 LEU HA 1 33 SER H 2.000 . 3.500 3.574 3.531 3.626 0.126 20 0 "[ . 1 . 2]" 1
441 1 30 LEU HA 1 34 ALA H 2.000 . 5.000 4.247 4.008 4.397 . 0 0 "[ . 1 . 2]" 1
442 1 30 LEU H 1 30 LEU HB3 2.000 . 3.500 3.524 3.494 3.552 0.052 7 0 "[ . 1 . 2]" 1
443 1 30 LEU HB3 1 31 CYS H 2.000 . 3.500 3.533 3.508 3.563 0.063 1 0 "[ . 1 . 2]" 1
444 1 27 CYS H 1 30 LEU HB2 2.000 . 5.000 5.060 5.037 5.097 0.097 1 0 "[ . 1 . 2]" 1
445 1 30 LEU H 1 30 LEU HB2 2.000 . 2.700 2.259 2.200 2.339 . 0 0 "[ . 1 . 2]" 1
446 1 30 LEU HB2 1 31 CYS H 2.000 . 3.500 2.931 2.801 3.022 . 0 0 "[ . 1 . 2]" 1
447 1 27 CYS H 1 30 LEU QD 2.000 . 7.900 4.589 4.016 4.959 . 0 0 "[ . 1 . 2]" 1
448 1 30 LEU H 1 30 LEU QD 2.000 . 6.400 3.253 2.879 3.347 . 0 0 "[ . 1 . 2]" 1
449 1 30 LEU QD 1 31 CYS H 2.000 . 6.400 4.204 4.117 4.268 . 0 0 "[ . 1 . 2]" 1
450 1 30 LEU QD 1 32 ALA H 2.000 . 7.900 5.278 5.022 5.411 . 0 0 "[ . 1 . 2]" 1
451 1 30 LEU QD 1 34 ALA H 2.000 . 7.900 5.010 4.609 5.384 . 0 0 "[ . 1 . 2]" 1
452 1 30 LEU H 1 30 LEU HG 2.000 . 2.700 2.738 2.676 2.793 0.093 20 0 "[ . 1 . 2]" 1
453 1 30 LEU HG 1 31 CYS H 2.000 . 5.000 4.776 4.678 4.832 . 0 0 "[ . 1 . 2]" 1
454 1 28 MET H 1 30 LEU H 2.000 . 5.000 4.181 4.080 4.254 . 0 0 "[ . 1 . 2]" 1
455 1 30 LEU H 1 31 CYS H 2.000 . 2.700 2.705 2.666 2.739 0.039 18 0 "[ . 1 . 2]" 1
456 1 31 CYS HA 1 32 ALA H 2.000 . 3.500 3.473 3.452 3.485 . 0 0 "[ . 1 . 2]" 1
457 1 31 CYS HA 1 34 ALA MB 2.000 . 3.700 2.326 1.844 2.704 . 0 0 "[ . 1 . 2]" 1
458 1 31 CYS HA 1 34 ALA H 2.000 . 3.500 3.453 3.296 3.552 0.052 14 0 "[ . 1 . 2]" 1
459 1 31 CYS HA 1 35 ARG H 2.000 . 5.000 4.394 3.668 4.680 . 0 0 "[ . 1 . 2]" 1
460 1 30 LEU H 1 31 CYS QB 2.000 . 6.000 4.514 4.430 4.599 . 0 0 "[ . 1 . 2]" 1
461 1 31 CYS H 1 31 CYS QB 2.000 . 3.700 2.208 2.082 2.323 . 0 0 "[ . 1 . 2]" 1
462 1 31 CYS QB 1 32 ALA H 2.000 . 4.500 2.792 2.690 2.864 . 0 0 "[ . 1 . 2]" 1
463 1 31 CYS H 1 33 SER H 2.000 . 5.000 4.289 4.236 4.386 . 0 0 "[ . 1 . 2]" 1
464 1 29 LEU QD 1 32 ALA HA 2.000 . 6.900 4.512 4.471 4.588 . 0 0 "[ . 1 . 2]" 1
465 1 32 ALA HA 1 33 SER H 2.000 . 3.500 3.560 3.549 3.566 0.066 20 0 "[ . 1 . 2]" 1
466 1 32 ALA HA 1 35 ARG QB 2.000 . 6.000 4.175 2.075 5.423 . 0 0 "[ . 1 . 2]" 1
467 1 32 ALA HA 1 35 ARG H 2.000 . 3.500 3.329 3.052 3.529 0.029 9 0 "[ . 1 . 2]" 1
468 1 29 LEU HB3 1 32 ALA MB 2.000 . 6.500 4.052 3.919 4.144 . 0 0 "[ . 1 . 2]" 1
469 1 23 TYR QE 1 32 ALA MB 2.000 . 6.600 2.145 1.825 2.636 . 0 0 "[ . 1 . 2]" 1
470 1 29 LEU QD 1 32 ALA MB 2.000 . 6.600 2.043 1.915 2.117 . 0 0 "[ . 1 . 2]" 1
471 1 29 LEU H 1 32 ALA MB 2.000 . 6.500 4.289 4.112 4.601 . 0 0 "[ . 1 . 2]" 1
472 1 30 LEU H 1 32 ALA MB 2.000 . 6.500 4.508 4.406 4.668 . 0 0 "[ . 1 . 2]" 1
473 1 31 CYS H 1 32 ALA MB 2.000 . 5.000 3.975 3.893 4.059 . 0 0 "[ . 1 . 2]" 1
474 1 32 ALA H 1 32 ALA MB 2.000 . 4.200 2.147 2.031 2.231 . 0 0 "[ . 1 . 2]" 1
475 1 32 ALA MB 1 33 SER H 2.000 . 4.200 2.237 2.135 2.348 . 0 0 "[ . 1 . 2]" 1
476 1 32 ALA MB 1 40 ILE MD 2.000 . 6.000 2.100 1.695 2.752 0.105 2 0 "[ . 1 . 2]" 1
477 1 30 LEU H 1 32 ALA H 2.000 . 4.000 3.926 3.887 4.038 0.038 1 0 "[ . 1 . 2]" 1
478 1 31 CYS H 1 32 ALA H 2.000 . 2.700 2.334 2.265 2.382 . 0 0 "[ . 1 . 2]" 1
479 1 32 ALA H 1 33 SER H 2.000 . 2.700 2.744 2.693 2.769 0.069 14 0 "[ . 1 . 2]" 1
480 1 33 SER HA 1 34 ALA H 2.000 . 3.500 3.450 3.378 3.510 0.010 3 0 "[ . 1 . 2]" 1
481 1 33 SER HA 1 40 ILE H 2.000 . 5.000 3.590 3.313 3.933 . 0 0 "[ . 1 . 2]" 1
482 1 33 SER H 1 40 ILE H 2.000 . 5.000 5.047 5.023 5.077 0.077 11 0 "[ . 1 . 2]" 1
483 1 29 LEU QD 1 33 SER QB 2.000 . 8.400 3.513 3.189 4.303 . 0 0 "[ . 1 . 2]" 1
484 1 33 SER H 1 33 SER QB 2.000 . 3.700 2.176 2.048 2.888 . 0 0 "[ . 1 . 2]" 1
485 1 33 SER QB 1 34 ALA H 2.000 . 4.500 2.982 2.751 3.194 . 0 0 "[ . 1 . 2]" 1
486 1 33 SER QB 1 40 ILE H 2.000 . 6.000 3.898 3.049 4.620 . 0 0 "[ . 1 . 2]" 1
487 1 33 SER QB 1 40 ILE MD 2.000 . 7.500 2.184 1.758 2.977 0.042 9 0 "[ . 1 . 2]" 1
488 1 30 LEU HA 1 33 SER QB 2.000 . 6.000 3.012 2.680 3.556 . 0 0 "[ . 1 . 2]" 1
489 1 34 ALA HA 1 35 ARG H 2.000 . 3.500 3.461 3.291 3.583 0.083 9 0 "[ . 1 . 2]" 1
490 1 34 ALA HA 1 36 SER H 2.000 . 5.000 4.538 4.148 5.069 0.069 11 0 "[ . 1 . 2]" 1
491 1 33 SER H 1 34 ALA MB 2.000 . 5.500 4.308 4.144 4.455 . 0 0 "[ . 1 . 2]" 1
492 1 34 ALA H 1 34 ALA MB 2.000 . 4.200 2.171 2.051 2.303 . 0 0 "[ . 1 . 2]" 1
493 1 34 ALA MB 1 35 ARG H 2.000 . 5.000 2.939 2.445 3.323 . 0 0 "[ . 1 . 2]" 1
494 1 34 ALA MB 1 36 SER H 2.000 . 6.500 4.678 4.182 5.128 . 0 0 "[ . 1 . 2]" 1
495 1 33 SER H 1 34 ALA H 2.000 . 2.700 2.677 2.543 2.786 0.086 14 0 "[ . 1 . 2]" 1
496 1 34 ALA MB 1 35 ARG HA 2.000 . 6.000 4.086 3.800 4.300 . 0 0 "[ . 1 . 2]" 1
497 1 35 ARG HA 1 35 ARG HE 2.000 . 5.000 4.559 3.697 4.953 . 0 0 "[ . 1 . 2]" 1
498 1 35 ARG HA 1 36 SER HA 2.000 . 5.000 4.594 4.502 4.672 . 0 0 "[ . 1 . 2]" 1
499 1 35 ARG HA 1 36 SER H 2.000 . 3.500 3.171 2.664 3.554 0.054 15 0 "[ . 1 . 2]" 1
500 1 34 ALA H 1 35 ARG QB 2.000 . 6.000 4.697 3.986 5.393 . 0 0 "[ . 1 . 2]" 1
501 1 35 ARG H 1 35 ARG QB 2.000 . 4.500 2.802 2.173 3.343 . 0 0 "[ . 1 . 2]" 1
502 1 35 ARG QB 1 36 SER H 2.000 . 6.000 3.657 2.512 4.076 . 0 0 "[ . 1 . 2]" 1
503 1 32 ALA MB 1 35 ARG QD 2.000 . 6.000 4.114 3.078 4.484 . 0 0 "[ . 1 . 2]" 1
504 1 34 ALA H 1 35 ARG QD 2.000 . 6.000 4.787 3.871 5.421 . 0 0 "[ . 1 . 2]" 1
505 1 35 ARG H 1 35 ARG QD 2.000 . 6.000 3.341 2.072 4.220 . 0 0 "[ . 1 . 2]" 1
506 1 35 ARG H 1 35 ARG QG 2.000 . 4.500 2.712 1.941 3.985 . 0 0 "[ . 1 . 2]" 1
507 1 35 ARG QG 1 36 SER H 2.000 . 6.000 3.764 2.464 4.539 . 0 0 "[ . 1 . 2]" 1
508 1 33 SER H 1 35 ARG H 2.000 . 5.000 4.252 3.895 4.754 . 0 0 "[ . 1 . 2]" 1
509 1 34 ALA H 1 35 ARG H 2.000 . 2.700 2.472 2.336 2.665 . 0 0 "[ . 1 . 2]" 1
510 1 35 ARG H 1 36 SER H 2.000 . 2.700 2.291 1.896 2.589 . 0 0 "[ . 1 . 2]" 1
511 1 36 SER HA 1 37 ASP H 2.000 . 3.500 3.456 3.315 3.546 0.046 14 0 "[ . 1 . 2]" 1
512 1 35 ARG H 1 36 SER HB2 2.000 . 5.000 4.196 3.683 5.007 0.007 20 0 "[ . 1 . 2]" 1
513 1 36 SER H 1 36 SER HB2 2.000 . 2.700 2.751 2.708 2.791 0.091 19 0 "[ . 1 . 2]" 1
514 1 36 SER HB2 1 37 ASP H 2.000 . 3.500 3.341 3.286 3.422 . 0 0 "[ . 1 . 2]" 1
515 1 36 SER HB2 1 38 THR H 2.000 . 5.000 4.532 4.421 4.832 . 0 0 "[ . 1 . 2]" 1
516 1 35 ARG H 1 36 SER HB3 2.000 . 5.000 4.397 4.029 4.717 . 0 0 "[ . 1 . 2]" 1
517 1 36 SER H 1 36 SER HB3 2.000 . 2.700 2.509 2.428 2.717 0.017 14 0 "[ . 1 . 2]" 1
518 1 36 SER HB3 1 37 ASP H 2.000 . 3.500 1.831 1.783 1.865 0.017 19 0 "[ . 1 . 2]" 1
519 1 33 SER H 1 36 SER H 2.000 . 5.000 4.944 4.722 5.069 0.069 2 0 "[ . 1 . 2]" 1
520 1 34 ALA H 1 36 SER H 2.000 . 5.000 4.015 3.530 4.430 . 0 0 "[ . 1 . 2]" 1
521 1 36 SER H 1 37 ASP H 2.000 . 3.500 3.290 2.776 3.643 0.143 4 0 "[ . 1 . 2]" 1
522 1 36 SER H 1 38 THR H 2.000 . 5.000 4.909 4.505 5.153 0.153 16 0 "[ . 1 . 2]" 1
523 1 37 ASP HA 1 38 THR H 2.000 . 3.500 3.387 2.887 3.549 0.049 14 0 "[ . 1 . 2]" 1
524 1 37 ASP H 1 37 ASP QB 2.000 . 3.700 3.184 2.916 3.443 . 0 0 "[ . 1 . 2]" 1
525 1 37 ASP QB 1 38 THR H 2.000 . 6.000 3.238 2.362 4.041 . 0 0 "[ . 1 . 2]" 1
526 1 37 ASP H 1 38 THR HA 2.000 . 5.000 4.286 4.101 4.430 . 0 0 "[ . 1 . 2]" 1
527 1 38 THR HA 1 39 PRO QD 2.000 . 4.500 1.976 1.809 2.259 . 0 0 "[ . 1 . 2]" 1
528 1 38 THR H 1 38 THR HB 2.000 . 3.500 3.193 2.719 3.563 0.063 9 0 "[ . 1 . 2]" 1
529 1 37 ASP H 1 38 THR MG 2.000 . 6.500 4.433 2.999 5.355 . 0 0 "[ . 1 . 2]" 1
530 1 38 THR H 1 38 THR MG 2.000 . 5.000 3.141 1.849 4.057 . 0 0 "[ . 1 . 2]" 1
531 1 37 ASP H 1 38 THR H 2.000 . 2.700 1.856 1.767 2.274 0.033 4 0 "[ . 1 . 2]" 1
532 1 39 PRO HA 1 40 ILE H 2.000 . 2.700 2.327 2.269 2.407 . 0 0 "[ . 1 . 2]" 1
533 1 39 PRO QB 1 40 ILE H 2.000 . 6.000 3.832 3.775 3.902 . 0 0 "[ . 1 . 2]" 1
534 1 38 THR MG 1 39 PRO QD 2.000 . 6.000 2.778 1.806 4.151 . 0 0 "[ . 1 . 2]" 1
535 1 38 THR H 1 39 PRO QD 2.000 . 6.000 4.220 3.655 4.368 . 0 0 "[ . 1 . 2]" 1
536 1 39 PRO QG 1 40 ILE H 2.000 . 6.000 4.773 4.670 4.911 . 0 0 "[ . 1 . 2]" 1
537 1 40 ILE HA 1 41 GLU H 2.000 . 2.700 2.346 2.143 2.500 . 0 0 "[ . 1 . 2]" 1
538 1 17 GLY H 1 40 ILE HB 2.000 . 5.000 5.067 5.028 5.124 0.124 7 0 "[ . 1 . 2]" 1
539 1 40 ILE H 1 40 ILE HB 2.000 . 3.500 3.593 3.578 3.616 0.116 18 0 "[ . 1 . 2]" 1
540 1 40 ILE HB 1 41 GLU H 2.000 . 5.000 2.626 2.292 3.305 . 0 0 "[ . 1 . 2]" 1
541 1 23 TYR QE 1 40 ILE MD 2.000 . 8.900 3.464 2.542 4.195 . 0 0 "[ . 1 . 2]" 1
542 1 29 LEU QD 1 40 ILE MD 2.000 . 8.900 1.771 1.658 2.153 0.142 2 0 "[ . 1 . 2]" 1
543 1 32 ALA H 1 40 ILE MD 2.000 . 6.500 4.000 3.552 4.589 . 0 0 "[ . 1 . 2]" 1
544 1 33 SER H 1 40 ILE MD 2.000 . 5.000 2.160 1.865 2.612 . 0 0 "[ . 1 . 2]" 1
545 1 34 ALA H 1 40 ILE MD 2.000 . 6.500 4.259 4.042 4.552 . 0 0 "[ . 1 . 2]" 1
546 1 36 SER H 1 40 ILE MD 2.000 . 6.500 5.012 4.497 5.414 . 0 0 "[ . 1 . 2]" 1
547 1 38 THR H 1 40 ILE MD 2.000 . 6.500 4.902 4.362 5.304 . 0 0 "[ . 1 . 2]" 1
548 1 40 ILE H 1 40 ILE MD 2.000 . 5.000 2.099 1.760 3.115 0.040 18 0 "[ . 1 . 2]" 1
549 1 40 ILE MD 1 41 GLU H 2.000 . 6.500 4.811 4.108 5.028 . 0 0 "[ . 1 . 2]" 1
550 1 29 LEU QD 1 40 ILE QG 2.000 . 8.900 1.641 1.565 1.702 0.235 7 0 "[ . 1 . 2]" 1
551 1 40 ILE H 1 40 ILE QG 2.000 . 4.500 2.500 2.105 3.264 . 0 0 "[ . 1 . 2]" 1
552 1 40 ILE QG 1 41 GLU H 2.000 . 6.000 3.675 3.115 3.948 . 0 0 "[ . 1 . 2]" 1
553 1 29 LEU QD 1 40 ILE MG 2.000 . 8.900 2.802 2.433 3.332 . 0 0 "[ . 1 . 2]" 1
554 1 33 SER H 1 40 ILE MG 2.000 . 5.500 4.392 4.239 4.476 . 0 0 "[ . 1 . 2]" 1
555 1 40 ILE H 1 40 ILE MG 2.000 . 5.000 2.145 1.889 2.340 . 0 0 "[ . 1 . 2]" 1
556 1 40 ILE MG 1 41 GLU H 2.000 . 5.000 3.741 3.544 4.167 . 0 0 "[ . 1 . 2]" 1
557 1 40 ILE H 1 41 GLU H 2.000 . 5.000 4.630 4.505 4.666 . 0 0 "[ . 1 . 2]" 1
558 1 29 LEU QD 1 41 GLU HA 2.000 . 6.900 4.012 3.069 4.576 . 0 0 "[ . 1 . 2]" 1
559 1 41 GLU HA 1 42 LEU H 2.000 . 2.700 2.208 2.050 2.855 0.155 18 0 "[ . 1 . 2]" 1
560 1 41 GLU HA 1 42 LEU QB 2.000 . 6.000 4.012 3.950 4.214 . 0 0 "[ . 1 . 2]" 1
561 1 18 SER H 1 41 GLU QB 2.000 . 6.000 3.630 3.040 4.306 . 0 0 "[ . 1 . 2]" 1
562 1 41 GLU H 1 41 GLU QB 2.000 . 4.500 2.645 2.504 3.275 . 0 0 "[ . 1 . 2]" 1
563 1 41 GLU QB 1 42 LEU H 2.000 . 4.500 3.591 1.935 3.785 . 0 0 "[ . 1 . 2]" 1
564 1 41 GLU H 1 41 GLU QG 2.000 . 4.500 3.464 1.945 3.851 . 0 0 "[ . 1 . 2]" 1
565 1 41 GLU QG 1 42 LEU H 2.000 . 4.500 4.019 3.783 4.300 . 0 0 "[ . 1 . 2]" 1
566 1 40 ILE H 1 41 GLU QG 2.000 . 6.000 5.135 4.980 5.297 . 0 0 "[ . 1 . 2]" 1
567 1 18 SER H 1 41 GLU H 2.000 . 3.500 2.662 2.534 3.072 . 0 0 "[ . 1 . 2]" 1
568 1 41 GLU H 1 42 LEU H 2.000 . 5.000 3.880 3.757 4.251 . 0 0 "[ . 1 . 2]" 1
569 1 42 LEU H 1 43 VAL H 2.000 . 5.000 4.585 4.465 4.616 . 0 0 "[ . 1 . 2]" 1
570 1 18 SER H 1 42 LEU HA 2.000 . 4.000 2.925 2.706 3.184 . 0 0 "[ . 1 . 2]" 1
571 1 42 LEU HA 1 43 VAL H 2.000 . 2.700 2.224 2.172 2.258 . 0 0 "[ . 1 . 2]" 1
572 1 15 VAL QG 1 42 LEU HB3 2.000 . 7.900 4.616 4.438 4.764 . 0 0 "[ . 1 . 2]" 1
573 1 42 LEU H 1 42 LEU HB3 2.000 . 3.500 3.459 3.387 3.515 0.015 2 0 "[ . 1 . 2]" 1
574 1 42 LEU HB3 1 43 VAL H 2.000 . 3.500 3.072 2.983 3.132 . 0 0 "[ . 1 . 2]" 1
575 1 29 LEU QD 1 42 LEU HB2 2.000 . 7.900 3.589 3.071 4.105 . 0 0 "[ . 1 . 2]" 1
576 1 42 LEU H 1 42 LEU HB2 2.000 . 2.700 2.211 2.130 2.487 . 0 0 "[ . 1 . 2]" 1
577 1 42 LEU HB2 1 43 VAL H 2.000 . 4.000 4.168 4.147 4.186 0.186 2 0 "[ . 1 . 2]" 1
578 1 16 CYS H 1 42 LEU MD1 2.000 . 5.000 3.182 2.941 3.275 . 0 0 "[ . 1 . 2]" 1
579 1 17 GLY H 1 42 LEU MD1 2.000 . 6.000 4.522 4.165 4.823 . 0 0 "[ . 1 . 2]" 1
580 1 26 ALA H 1 42 LEU MD1 2.000 . 6.500 5.266 4.963 5.341 . 0 0 "[ . 1 . 2]" 1
581 1 42 LEU H 1 42 LEU MD1 2.000 . 5.500 4.285 3.997 4.445 . 0 0 "[ . 1 . 2]" 1
582 1 15 VAL HA 1 42 LEU QD 2.000 . 7.900 3.253 3.105 3.343 . 0 0 "[ . 1 . 2]" 1
583 1 42 LEU QD 1 43 VAL H 2.000 . 6.400 2.196 1.824 2.489 . 0 0 "[ . 1 . 2]" 1
584 1 42 LEU QD 1 44 HIS HD2 2.000 . 7.900 5.189 4.913 5.313 . 0 0 "[ . 1 . 2]" 1
585 1 42 LEU QD 1 44 HIS H 2.000 . 6.400 2.732 2.495 3.024 . 0 0 "[ . 1 . 2]" 1
586 1 42 LEU QD 1 45 LYS H 2.000 . 6.400 3.636 3.474 3.906 . 0 0 "[ . 1 . 2]" 1
587 1 15 VAL H 1 42 LEU QD 2.000 . 7.900 4.136 4.002 4.247 . 0 0 "[ . 1 . 2]" 1
588 1 16 CYS H 1 42 LEU MD2 2.000 . 6.000 4.213 3.407 4.887 . 0 0 "[ . 1 . 2]" 1
589 1 17 GLY H 1 42 LEU MD2 2.000 . 6.000 3.717 3.204 4.436 . 0 0 "[ . 1 . 2]" 1
590 1 23 TYR QE 1 42 LEU QD 2.000 . 8.300 3.715 3.497 4.163 . 0 0 "[ . 1 . 2]" 1
591 1 26 ALA HA 1 42 LEU QD 2.000 . 7.400 2.925 2.239 3.425 . 0 0 "[ . 1 . 2]" 1
592 1 26 ALA H 1 42 LEU MD2 2.000 . 6.500 4.739 4.198 5.131 . 0 0 "[ . 1 . 2]" 1
593 1 41 GLU H 1 42 LEU QD 2.000 . 6.900 4.750 4.613 5.064 . 0 0 "[ . 1 . 2]" 1
594 1 42 LEU H 1 42 LEU MD2 2.000 . 5.500 2.531 2.293 3.215 . 0 0 "[ . 1 . 2]" 1
595 1 29 LEU QD 1 42 LEU HG 2.000 . 6.400 3.248 2.542 3.777 . 0 0 "[ . 1 . 2]" 1
596 1 42 LEU H 1 42 LEU HG 2.000 . 5.000 4.064 3.833 4.670 . 0 0 "[ . 1 . 2]" 1
597 1 42 LEU HG 1 43 VAL H 2.000 . 5.000 4.496 4.349 4.651 . 0 0 "[ . 1 . 2]" 1
598 1 43 VAL HA 1 44 HIS H 2.000 . 3.500 3.531 3.520 3.549 0.049 19 0 "[ . 1 . 2]" 1
599 1 43 VAL H 1 43 VAL HB 2.000 . 3.500 3.251 3.003 3.650 0.150 2 0 "[ . 1 . 2]" 1
600 1 43 VAL HB 1 44 HIS H 2.000 . 4.000 3.030 2.607 3.966 . 0 0 "[ . 1 . 2]" 1
601 1 43 VAL MG1 1 44 HIS HE1 2.000 . 4.200 2.367 1.762 3.373 0.038 15 0 "[ . 1 . 2]" 1
602 1 18 SER H 1 43 VAL MG1 2.000 . 6.500 4.046 2.709 4.994 . 0 0 "[ . 1 . 2]" 1
603 1 43 VAL H 1 43 VAL MG1 2.000 . 5.000 3.633 2.401 4.012 . 0 0 "[ . 1 . 2]" 1
604 1 43 VAL MG1 1 44 HIS HD2 2.000 . 6.500 4.611 2.727 5.457 . 0 0 "[ . 1 . 2]" 1
605 1 43 VAL MG1 1 44 HIS H 2.000 . 5.000 3.666 1.880 4.219 . 0 0 "[ . 1 . 2]" 1
606 1 17 GLY H 1 43 VAL QG 2.000 . 7.900 4.046 3.298 4.710 . 0 0 "[ . 1 . 2]" 1
607 1 18 SER H 1 43 VAL MG2 2.000 . 6.500 2.611 1.977 5.059 . 0 0 "[ . 1 . 2]" 1
608 1 41 GLU H 1 43 VAL QG 2.000 . 7.900 4.345 3.959 5.373 . 0 0 "[ . 1 . 2]" 1
609 1 42 LEU H 1 43 VAL QG 2.000 . 7.900 4.509 3.894 5.338 . 0 0 "[ . 1 . 2]" 1
610 1 43 VAL H 1 43 VAL MG2 2.000 . 5.000 2.653 1.916 3.961 . 0 0 "[ . 1 . 2]" 1
611 1 43 VAL MG2 1 44 HIS HD2 2.000 . 6.500 4.245 2.811 5.013 . 0 0 "[ . 1 . 2]" 1
612 1 43 VAL MG2 1 44 HIS HE1 2.000 . 4.200 3.177 1.793 3.564 0.007 20 0 "[ . 1 . 2]" 1
613 1 43 VAL MG2 1 44 HIS H 2.000 . 5.000 3.092 1.924 3.690 . 0 0 "[ . 1 . 2]" 1
614 1 18 SER H 1 43 VAL H 2.000 . 5.000 3.814 3.641 3.955 . 0 0 "[ . 1 . 2]" 1
615 1 15 VAL QG 1 44 HIS HA 2.000 . 7.900 5.532 5.298 5.714 . 0 0 "[ . 1 . 2]" 1
616 1 16 CYS HB3 1 44 HIS HA 2.000 . 5.000 5.137 5.098 5.173 0.173 15 0 "[ . 1 . 2]" 1
617 1 44 HIS HA 1 45 LYS QG 2.000 . 6.000 4.002 3.401 5.062 . 0 0 "[ . 1 . 2]" 1
618 1 44 HIS HA 1 45 LYS H 2.000 . 3.500 2.130 2.119 2.138 . 0 0 "[ . 1 . 2]" 1
619 1 43 VAL QG 1 44 HIS QB 2.000 . 8.400 3.848 3.179 4.231 . 0 0 "[ . 1 . 2]" 1
620 1 44 HIS H 1 44 HIS QB 2.000 . 6.000 3.285 3.236 3.315 . 0 0 "[ . 1 . 2]" 1
621 1 44 HIS QB 1 45 LYS H 2.000 . 4.500 3.299 3.221 3.372 . 0 0 "[ . 1 . 2]" 1
622 1 16 CYS H 1 44 HIS H 2.000 . 3.500 3.488 3.416 3.521 0.021 4 0 "[ . 1 . 2]" 1
623 1 43 VAL H 1 44 HIS H 2.000 . 2.700 1.889 1.811 2.004 . 0 0 "[ . 1 . 2]" 1
624 1 44 HIS H 1 44 HIS HD2 2.000 . 5.000 3.633 3.443 3.763 . 0 0 "[ . 1 . 2]" 1
625 1 44 HIS H 1 44 HIS HE1 2.000 . 5.000 4.973 4.858 5.061 0.061 2 0 "[ . 1 . 2]" 1
626 1 44 HIS H 1 45 LYS H 2.000 . 4.000 4.055 4.016 4.101 0.101 10 0 "[ . 1 . 2]" 1
627 1 15 VAL QG 1 45 LYS HA 2.000 . 6.400 2.318 2.013 2.717 . 0 0 "[ . 1 . 2]" 1
628 1 16 CYS H 1 45 LYS HA 2.000 . 3.500 3.062 2.840 3.348 . 0 0 "[ . 1 . 2]" 1
629 1 45 LYS HA 1 46 GLY H 2.000 . 2.700 2.489 2.446 2.573 . 0 0 "[ . 1 . 2]" 1
630 1 45 LYS H 1 45 LYS QB 2.000 . 4.500 2.452 2.070 2.786 . 0 0 "[ . 1 . 2]" 1
631 1 45 LYS QB 1 46 GLY H 2.000 . 4.500 3.935 3.879 4.026 . 0 0 "[ . 1 . 2]" 1
632 1 45 LYS H 1 45 LYS QD 2.000 . 6.000 3.600 1.875 4.444 . 0 0 "[ . 1 . 2]" 1
633 1 45 LYS H 1 45 LYS QE 2.000 . 6.000 4.371 2.649 5.180 . 0 0 "[ . 1 . 2]" 1
634 1 45 LYS H 1 45 LYS QG 2.000 . 6.000 2.389 1.939 3.486 . 0 0 "[ . 1 . 2]" 1
635 1 45 LYS QG 1 46 GLY H 2.000 . 6.000 4.361 4.047 4.658 . 0 0 "[ . 1 . 2]" 1
636 1 46 GLY QA 1 47 ARG H 2.000 . 3.700 2.261 2.237 2.293 . 0 0 "[ . 1 . 2]" 1
637 1 45 LYS H 1 46 GLY H 2.000 . 5.000 3.758 3.625 3.839 . 0 0 "[ . 1 . 2]" 1
638 1 22 THR HA 1 47 ARG HA 2.000 . 5.000 4.473 4.294 4.655 . 0 0 "[ . 1 . 2]" 1
639 1 22 THR MG 1 47 ARG HA 2.000 . 4.500 1.956 1.768 2.365 0.032 2 0 "[ . 1 . 2]" 1
640 1 44 HIS HD2 1 47 ARG HA 2.000 . 5.000 5.124 5.094 5.146 0.146 8 0 "[ . 1 . 2]" 1
641 1 47 ARG HA 1 48 CYS HB2 2.000 . 5.000 3.925 3.878 3.984 . 0 0 "[ . 1 . 2]" 1
642 1 47 ARG HA 1 48 CYS H 2.000 . 2.700 2.553 2.513 2.596 . 0 0 "[ . 1 . 2]" 1
643 1 47 ARG H 1 47 ARG QB 2.000 . 3.700 2.682 2.501 2.858 . 0 0 "[ . 1 . 2]" 1
644 1 47 ARG QB 1 48 CYS H 2.000 . 4.500 3.904 3.893 3.915 . 0 0 "[ . 1 . 2]" 1
645 1 22 THR MG 1 47 ARG QD 2.000 . 7.500 3.928 2.875 4.526 . 0 0 "[ . 1 . 2]" 1
646 1 47 ARG H 1 47 ARG QD 2.000 . 6.000 3.715 2.592 4.350 . 0 0 "[ . 1 . 2]" 1
647 1 46 GLY H 1 47 ARG QG 2.000 . 6.000 5.304 5.163 5.380 . 0 0 "[ . 1 . 2]" 1
648 1 47 ARG H 1 47 ARG QG 2.000 . 4.500 2.059 1.772 2.536 0.028 19 0 "[ . 1 . 2]" 1
649 1 47 ARG QG 1 48 CYS H 2.000 . 5.000 4.471 4.411 4.507 . 0 0 "[ . 1 . 2]" 1
650 1 46 GLY H 1 47 ARG H 2.000 . 5.000 4.313 4.285 4.347 . 0 0 "[ . 1 . 2]" 1
651 1 47 ARG H 1 48 CYS H 2.000 . 3.500 3.454 3.372 3.509 0.009 12 0 "[ . 1 . 2]" 1
652 1 16 CYS HB3 1 48 CYS HA 2.000 . 3.500 3.582 3.546 3.614 0.114 8 0 "[ . 1 . 2]" 1
653 1 16 CYS HB2 1 48 CYS HA 2.000 . 5.000 3.237 3.169 3.296 . 0 0 "[ . 1 . 2]" 1
654 1 44 HIS HD2 1 48 CYS HA 2.000 . 3.500 1.805 1.775 1.836 0.025 17 0 "[ . 1 . 2]" 1
655 1 44 HIS HD2 1 48 CYS HB2 2.000 . 5.000 3.855 3.808 3.897 . 0 0 "[ . 1 . 2]" 1
656 1 48 CYS H 1 48 CYS HB2 2.000 . 3.000 3.135 3.101 3.166 0.166 11 0 "[ . 1 . 2]" 1
657 1 44 HIS HD2 1 48 CYS HB3 2.000 . 5.000 3.672 3.595 3.761 . 0 0 "[ . 1 . 2]" 1
658 1 48 CYS H 1 48 CYS HB3 2.000 . 4.000 3.980 3.955 4.007 0.007 2 0 "[ . 1 . 2]" 1
659 1 46 GLY H 1 48 CYS H 2.000 . 3.500 3.619 3.597 3.643 0.143 2 0 "[ . 1 . 2]" 1
660 1 44 HIS HD2 1 48 CYS H 2.000 . 5.000 2.738 2.709 2.777 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 46
_Distance_constraint_stats_list.Viol_count 287
_Distance_constraint_stats_list.Viol_total 459.472
_Distance_constraint_stats_list.Viol_max 0.210
_Distance_constraint_stats_list.Viol_rms 0.0492
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0250
_Distance_constraint_stats_list.Viol_average_violations_only 0.0800
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 13 ASP 1.110 0.129 14 0 "[ . 1 . 2]"
1 15 VAL 1.951 0.134 9 0 "[ . 1 . 2]"
1 16 CYS 1.617 0.119 14 0 "[ . 1 . 2]"
1 17 GLY 7.496 0.210 7 0 "[ . 1 . 2]"
1 18 SER 4.061 0.175 5 0 "[ . 1 . 2]"
1 20 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 ILE 7.496 0.210 7 0 "[ . 1 . 2]"
1 23 TYR 1.951 0.134 9 0 "[ . 1 . 2]"
1 24 GLY 1.110 0.129 14 0 "[ . 1 . 2]"
1 25 ASN 0.690 0.055 9 0 "[ . 1 . 2]"
1 26 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 MET 0.921 0.072 3 0 "[ . 1 . 2]"
1 29 LEU 0.660 0.080 18 0 "[ . 1 . 2]"
1 30 LEU 1.294 0.119 17 0 "[ . 1 . 2]"
1 31 CYS 0.297 0.075 16 0 "[ . 1 . 2]"
1 32 ALA 1.951 0.181 14 0 "[ . 1 . 2]"
1 33 SER 0.580 0.080 18 0 "[ . 1 . 2]"
1 34 ALA 1.294 0.119 17 0 "[ . 1 . 2]"
1 35 ARG 0.297 0.075 16 0 "[ . 1 . 2]"
1 36 SER 1.640 0.181 14 0 "[ . 1 . 2]"
1 38 THR 0.141 0.043 4 0 "[ . 1 . 2]"
1 40 ILE 0.141 0.043 4 0 "[ . 1 . 2]"
1 41 GLU 4.061 0.175 5 0 "[ . 1 . 2]"
1 43 VAL 0.033 0.031 2 0 "[ . 1 . 2]"
1 44 HIS 3.369 0.119 14 0 "[ . 1 . 2]"
1 46 GLY 1.785 0.110 14 0 "[ . 1 . 2]"
1 48 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 13 ASP H 1 24 GLY O 2.000 . 2.400 2.021 1.858 2.198 . 0 0 "[ . 1 . 2]" 2
2 1 13 ASP N 1 24 GLY O 3.000 2.700 3.400 2.654 2.571 2.823 0.129 14 0 "[ . 1 . 2]" 2
3 1 15 VAL H 1 23 TYR O 2.000 . 2.400 1.746 1.704 1.806 . 0 0 "[ . 1 . 2]" 2
4 1 15 VAL N 1 23 TYR O 3.000 2.700 3.400 2.603 2.566 2.660 0.134 9 0 "[ . 1 . 2]" 2
5 1 16 CYS H 1 44 HIS O 2.000 . 2.400 1.732 1.685 1.825 0.015 4 0 "[ . 1 . 2]" 2
6 1 16 CYS N 1 44 HIS O 3.000 2.700 3.400 2.623 2.581 2.679 0.119 14 0 "[ . 1 . 2]" 2
7 1 17 GLY H 1 21 ILE O 2.000 . 2.400 1.904 1.828 2.037 . 0 0 "[ . 1 . 2]" 2
8 1 17 GLY N 1 21 ILE O 3.000 2.700 3.400 2.856 2.752 3.013 . 0 0 "[ . 1 . 2]" 2
9 1 18 SER H 1 41 GLU O 2.000 . 2.400 1.794 1.689 2.060 0.011 5 0 "[ . 1 . 2]" 2
10 1 18 SER N 1 41 GLU O 3.000 2.700 3.400 2.655 2.598 2.715 0.102 2 0 "[ . 1 . 2]" 2
11 1 17 GLY O 1 20 GLY H 2.000 . 2.400 2.171 2.135 2.216 . 0 0 "[ . 1 . 2]" 2
12 1 17 GLY O 1 20 GLY N 3.000 2.700 3.400 3.092 3.025 3.153 . 0 0 "[ . 1 . 2]" 2
13 1 17 GLY O 1 21 ILE H 2.000 . 2.400 2.595 2.570 2.610 0.210 7 0 "[ . 1 . 2]" 2
14 1 17 GLY O 1 21 ILE N 3.000 2.700 3.400 3.580 3.557 3.593 0.193 19 0 "[ . 1 . 2]" 2
15 1 15 VAL O 1 23 TYR H 2.000 . 2.400 1.900 1.839 1.957 . 0 0 "[ . 1 . 2]" 2
16 1 15 VAL O 1 23 TYR N 3.000 2.700 3.400 2.773 2.698 2.848 0.002 17 0 "[ . 1 . 2]" 2
17 1 25 ASN O 1 28 MET H 2.000 . 2.400 2.276 2.218 2.365 . 0 0 "[ . 1 . 2]" 2
18 1 25 ASN O 1 28 MET N 3.000 2.700 3.400 2.670 2.645 2.713 0.055 9 0 "[ . 1 . 2]" 2
19 1 25 ASN O 1 29 LEU H 2.000 . 2.400 1.840 1.739 1.958 . 0 0 "[ . 1 . 2]" 2
20 1 25 ASN O 1 29 LEU N 3.000 2.700 3.400 2.768 2.660 2.894 0.040 14 0 "[ . 1 . 2]" 2
21 1 26 ALA O 1 30 LEU H 2.000 . 2.400 2.199 2.016 2.396 . 0 0 "[ . 1 . 2]" 2
22 1 26 ALA O 1 30 LEU N 3.000 2.700 3.400 3.060 2.874 3.208 . 0 0 "[ . 1 . 2]" 2
23 1 27 CYS O 1 31 CYS H 2.000 . 2.400 2.052 1.941 2.264 . 0 0 "[ . 1 . 2]" 2
24 1 27 CYS O 1 31 CYS N 3.000 2.700 3.400 2.900 2.817 3.070 . 0 0 "[ . 1 . 2]" 2
25 1 28 MET O 1 32 ALA H 2.000 . 2.400 1.991 1.879 2.255 . 0 0 "[ . 1 . 2]" 2
26 1 28 MET O 1 32 ALA N 3.000 2.700 3.400 2.744 2.628 3.062 0.072 3 0 "[ . 1 . 2]" 2
27 1 29 LEU O 1 33 SER H 2.000 . 2.400 1.768 1.708 1.840 . 0 0 "[ . 1 . 2]" 2
28 1 29 LEU O 1 33 SER N 3.000 2.700 3.400 2.677 2.620 2.748 0.080 18 0 "[ . 1 . 2]" 2
29 1 30 LEU O 1 34 ALA H 2.000 . 2.400 2.465 2.407 2.519 0.119 17 0 "[ . 1 . 2]" 2
30 1 30 LEU O 1 34 ALA N 3.000 2.700 3.400 3.149 2.982 3.342 . 0 0 "[ . 1 . 2]" 2
31 1 31 CYS O 1 35 ARG H 2.000 . 2.400 2.261 1.690 2.444 0.044 3 0 "[ . 1 . 2]" 2
32 1 31 CYS O 1 35 ARG N 3.000 2.700 3.400 2.892 2.625 3.224 0.075 16 0 "[ . 1 . 2]" 2
33 1 32 ALA O 1 36 SER H 2.000 . 2.400 1.997 1.678 2.220 0.022 3 0 "[ . 1 . 2]" 2
34 1 32 ALA O 1 36 SER N 3.000 2.700 3.400 2.647 2.519 2.878 0.181 14 0 "[ . 1 . 2]" 2
35 1 38 THR O 1 40 ILE H 2.000 . 2.400 2.330 2.093 2.426 0.026 6 0 "[ . 1 . 2]" 2
36 1 38 THR O 1 40 ILE N 3.000 2.700 3.400 2.812 2.657 3.057 0.043 4 0 "[ . 1 . 2]" 2
37 1 18 SER O 1 41 GLU H 2.000 . 2.400 2.529 2.491 2.575 0.175 5 0 "[ . 1 . 2]" 2
38 1 18 SER O 1 41 GLU N 3.000 2.700 3.400 3.423 3.363 3.460 0.060 10 0 "[ . 1 . 2]" 2
39 1 16 CYS O 1 43 VAL H 2.000 . 2.400 1.886 1.808 1.966 . 0 0 "[ . 1 . 2]" 2
40 1 16 CYS O 1 43 VAL N 3.000 2.700 3.400 2.756 2.669 2.850 0.031 2 0 "[ . 1 . 2]" 2
41 1 16 CYS O 1 44 HIS H 2.000 . 2.400 2.214 2.082 2.401 0.001 8 0 "[ . 1 . 2]" 2
42 1 16 CYS O 1 44 HIS N 3.000 2.700 3.400 3.182 3.048 3.371 . 0 0 "[ . 1 . 2]" 2
43 1 44 HIS O 1 46 GLY H 2.000 . 2.400 1.782 1.713 1.819 . 0 0 "[ . 1 . 2]" 2
44 1 44 HIS O 1 46 GLY N 3.000 2.700 3.400 2.611 2.590 2.634 0.110 14 0 "[ . 1 . 2]" 2
45 1 46 GLY O 1 48 CYS H 2.000 . 2.400 2.098 1.889 2.220 . 0 0 "[ . 1 . 2]" 2
46 1 46 GLY O 1 48 CYS N 3.000 2.700 3.400 2.952 2.766 3.059 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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