NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
452593 |
2vy4   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2vy4
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 275
_Distance_constraint_stats_list.Viol_count 129
_Distance_constraint_stats_list.Viol_total 1655.781
_Distance_constraint_stats_list.Viol_max 2.849
_Distance_constraint_stats_list.Viol_rms 0.1796
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0151
_Distance_constraint_stats_list.Viol_average_violations_only 0.6418
_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 4 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 VAL 0.177 0.020 5 0 "[ . 1 . 2]"
1 6 VAL 2.330 0.168 11 0 "[ . 1 . 2]"
1 7 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 CYS 0.385 0.043 5 0 "[ . 1 . 2]"
1 9 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 TYR 78.883 2.849 10 20 [***-*****+**********]
1 11 ASP 0.044 0.022 8 0 "[ . 1 . 2]"
1 12 SER 78.883 2.849 10 20 [***-*****+**********]
1 13 ASN 0.718 0.092 11 0 "[ . 1 . 2]"
1 14 HIS 0.696 0.092 11 0 "[ . 1 . 2]"
1 15 HIS 0.506 0.038 18 0 "[ . 1 . 2]"
1 16 MET 0.126 0.043 5 0 "[ . 1 . 2]"
1 17 PRO 0.100 0.040 5 0 "[ . 1 . 2]"
1 18 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 LEU 2.230 0.168 11 0 "[ . 1 . 2]"
1 22 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 HIS 0.025 0.025 8 0 "[ . 1 . 2]"
1 25 MET 0.237 0.123 8 0 "[ . 1 . 2]"
1 26 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 LYS 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 4 GLU H 1 18 LYS QB 5.000 . 6.000 5.215 3.909 5.361 . 0 0 "[ . 1 . 2]" 1
2 1 4 GLU HA 1 5 VAL H 3.000 . 3.600 2.306 2.145 2.344 . 0 0 "[ . 1 . 2]" 1
3 1 4 GLU HA 1 18 LYS H 5.000 . 6.000 5.515 4.847 5.880 . 0 0 "[ . 1 . 2]" 1
4 1 4 GLU QG 1 5 VAL H 5.000 . 6.000 3.345 1.968 4.483 . 0 0 "[ . 1 . 2]" 1
5 1 4 GLU QG 1 18 LYS QB 5.000 . 6.000 4.152 2.320 4.766 . 0 0 "[ . 1 . 2]" 1
6 1 5 VAL H 1 5 VAL HB 4.000 . 4.700 3.254 2.841 3.630 . 0 0 "[ . 1 . 2]" 1
7 1 5 VAL H 1 5 VAL QG 4.000 . 4.700 2.190 1.823 2.582 . 0 0 "[ . 1 . 2]" 1
8 1 5 VAL H 1 6 VAL H 5.000 . 6.000 4.359 4.120 4.592 . 0 0 "[ . 1 . 2]" 1
9 1 5 VAL H 1 17 PRO HA 5.000 . 6.000 4.721 4.334 5.146 . 0 0 "[ . 1 . 2]" 1
10 1 5 VAL H 1 18 LYS H 5.000 . 6.000 5.029 4.840 5.245 . 0 0 "[ . 1 . 2]" 1
11 1 5 VAL H 1 18 LYS QB 5.000 . 6.000 5.344 5.232 5.367 . 0 0 "[ . 1 . 2]" 1
12 1 5 VAL HA 1 6 VAL H 3.000 . 3.600 2.186 2.130 2.231 . 0 0 "[ . 1 . 2]" 1
13 1 5 VAL HA 1 16 MET H 4.000 . 4.700 4.163 3.908 4.469 . 0 0 "[ . 1 . 2]" 1
14 1 5 VAL HA 1 18 LYS H 4.000 . 4.700 3.776 3.355 4.450 . 0 0 "[ . 1 . 2]" 1
15 1 5 VAL HB 1 6 VAL H 4.000 . 4.700 3.542 2.982 3.940 . 0 0 "[ . 1 . 2]" 1
16 1 5 VAL HB 1 15 HIS HA 4.000 . 4.700 4.504 3.770 4.720 0.020 5 0 "[ . 1 . 2]" 1
17 1 5 VAL QG 1 15 HIS HA 5.000 . 6.000 3.148 2.442 4.174 . 0 0 "[ . 1 . 2]" 1
18 1 5 VAL QG 1 15 HIS QB 5.000 . 6.000 2.114 1.781 2.759 0.019 13 0 "[ . 1 . 2]" 1
19 1 5 VAL QG 1 15 HIS HD1 5.000 . 6.000 3.391 2.470 4.219 . 0 0 "[ . 1 . 2]" 1
20 1 5 VAL QG 1 16 MET H 4.000 . 4.700 3.023 2.370 3.502 . 0 0 "[ . 1 . 2]" 1
21 1 6 VAL H 1 6 VAL HB 4.000 . 4.700 3.127 2.638 3.604 . 0 0 "[ . 1 . 2]" 1
22 1 6 VAL H 1 7 ILE H 5.000 . 6.000 4.472 4.417 4.561 . 0 0 "[ . 1 . 2]" 1
23 1 6 VAL H 1 15 HIS HA 5.000 . 6.000 4.025 3.775 4.669 . 0 0 "[ . 1 . 2]" 1
24 1 6 VAL H 1 16 MET H 4.000 . 4.700 2.783 2.551 3.233 . 0 0 "[ . 1 . 2]" 1
25 1 6 VAL H 1 16 MET HA 5.000 . 6.000 4.340 4.203 4.525 . 0 0 "[ . 1 . 2]" 1
26 1 6 VAL H 1 17 PRO HA 3.000 . 3.600 3.519 3.222 3.640 0.040 5 0 "[ . 1 . 2]" 1
27 1 6 VAL H 1 18 LYS H 5.000 . 6.000 3.983 3.379 4.468 . 0 0 "[ . 1 . 2]" 1
28 1 6 VAL H 1 18 LYS HA 5.000 . 6.000 4.491 3.900 4.845 . 0 0 "[ . 1 . 2]" 1
29 1 6 VAL H 1 21 LEU QD 5.000 . 6.000 4.282 4.098 4.458 . 0 0 "[ . 1 . 2]" 1
30 1 6 VAL HA 1 7 ILE H 3.000 . 3.600 2.382 2.297 2.478 . 0 0 "[ . 1 . 2]" 1
31 1 6 VAL HA 1 16 MET H 5.000 . 6.000 4.773 4.657 4.907 . 0 0 "[ . 1 . 2]" 1
32 1 6 VAL HB 1 7 ILE H 4.000 . 4.700 3.673 2.153 3.865 . 0 0 "[ . 1 . 2]" 1
33 1 6 VAL HB 1 21 LEU QD 5.000 . 6.000 3.683 2.599 3.967 . 0 0 "[ . 1 . 2]" 1
34 1 6 VAL QG 1 7 ILE H 3.000 . 3.600 1.964 1.843 2.710 . 0 0 "[ . 1 . 2]" 1
35 1 6 VAL QG 1 7 ILE HB 5.000 . 6.000 3.795 3.620 4.470 . 0 0 "[ . 1 . 2]" 1
36 1 6 VAL QG 1 16 MET H 5.000 . 6.000 3.002 2.505 3.221 . 0 0 "[ . 1 . 2]" 1
37 1 6 VAL QG 1 16 MET QB 5.000 . 6.000 3.983 3.967 4.016 . 0 0 "[ . 1 . 2]" 1
38 1 6 VAL QG 1 18 LYS H 5.000 . 6.000 2.965 2.579 3.527 . 0 0 "[ . 1 . 2]" 1
39 1 6 VAL QG 1 18 LYS HA 5.000 . 6.000 1.887 1.802 2.112 . 0 0 "[ . 1 . 2]" 1
40 1 6 VAL QG 1 21 LEU H 5.000 . 6.000 4.295 4.115 4.451 . 0 0 "[ . 1 . 2]" 1
41 1 6 VAL QG 1 21 LEU QB 5.000 . 6.000 3.948 3.850 3.977 . 0 0 "[ . 1 . 2]" 1
42 1 6 VAL QG 1 21 LEU QD 5.000 . 6.000 1.696 1.632 1.889 0.168 11 0 "[ . 1 . 2]" 1
43 1 7 ILE H 1 7 ILE HB 4.000 . 4.700 2.476 2.336 2.959 . 0 0 "[ . 1 . 2]" 1
44 1 7 ILE H 1 7 ILE MD 4.000 . 4.700 3.211 2.446 4.000 . 0 0 "[ . 1 . 2]" 1
45 1 7 ILE H 1 7 ILE QG 4.000 . 4.700 3.606 3.160 4.206 . 0 0 "[ . 1 . 2]" 1
46 1 7 ILE H 1 7 ILE QG 4.000 . 4.700 3.046 2.001 3.347 . 0 0 "[ . 1 . 2]" 1
47 1 7 ILE H 1 8 CYS H 4.000 . 4.700 4.423 4.150 4.520 . 0 0 "[ . 1 . 2]" 1
48 1 7 ILE H 1 21 LEU QD 5.000 . 6.000 4.458 4.306 4.488 . 0 0 "[ . 1 . 2]" 1
49 1 7 ILE HA 1 8 CYS H 3.000 . 3.600 2.178 2.136 2.232 . 0 0 "[ . 1 . 2]" 1
50 1 7 ILE HA 1 15 HIS HA 4.000 . 4.700 3.180 2.476 3.380 . 0 0 "[ . 1 . 2]" 1
51 1 7 ILE HA 1 15 HIS HD1 5.000 . 6.000 3.561 2.616 4.263 . 0 0 "[ . 1 . 2]" 1
52 1 7 ILE HA 1 16 MET H 4.000 . 4.700 3.849 3.539 4.111 . 0 0 "[ . 1 . 2]" 1
53 1 7 ILE HB 1 8 CYS H 4.000 . 4.700 4.279 4.106 4.499 . 0 0 "[ . 1 . 2]" 1
54 1 7 ILE MD 1 8 CYS H 5.000 . 6.000 4.711 2.702 5.018 . 0 0 "[ . 1 . 2]" 1
55 1 7 ILE MD 1 15 HIS HD1 5.000 . 6.000 2.682 1.983 4.712 . 0 0 "[ . 1 . 2]" 1
56 1 7 ILE MD 1 15 HIS HE1 5.000 . 6.000 4.156 3.624 5.020 . 0 0 "[ . 1 . 2]" 1
57 1 7 ILE QG 1 8 CYS H 5.000 . 6.000 2.488 2.082 3.218 . 0 0 "[ . 1 . 2]" 1
58 1 7 ILE QG 1 15 HIS HD1 5.000 . 6.000 2.300 1.903 3.201 . 0 0 "[ . 1 . 2]" 1
59 1 7 ILE QG 1 15 HIS HE1 5.000 . 6.000 4.430 3.560 4.599 . 0 0 "[ . 1 . 2]" 1
60 1 7 ILE QG 1 8 CYS H 5.000 . 6.000 3.626 3.025 3.865 . 0 0 "[ . 1 . 2]" 1
61 1 7 ILE QG 1 12 SER H 5.000 . 6.000 5.331 5.046 5.372 . 0 0 "[ . 1 . 2]" 1
62 1 7 ILE QG 1 13 ASN H 5.000 . 6.000 5.230 4.517 5.379 . 0 0 "[ . 1 . 2]" 1
63 1 7 ILE QG 1 14 HIS H 5.000 . 6.000 3.312 2.708 3.877 . 0 0 "[ . 1 . 2]" 1
64 1 7 ILE QG 1 15 HIS QB 5.000 . 6.000 4.455 4.014 4.653 . 0 0 "[ . 1 . 2]" 1
65 1 7 ILE QG 1 15 HIS HD1 5.000 . 6.000 2.321 1.905 3.368 . 0 0 "[ . 1 . 2]" 1
66 1 7 ILE QG 1 15 HIS HE1 5.000 . 6.000 4.522 3.598 4.712 . 0 0 "[ . 1 . 2]" 1
67 1 8 CYS H 1 9 PRO QD 5.000 . 6.000 4.381 4.299 4.412 . 0 0 "[ . 1 . 2]" 1
68 1 8 CYS H 1 14 HIS QB 4.000 . 4.700 2.720 2.578 3.720 . 0 0 "[ . 1 . 2]" 1
69 1 8 CYS H 1 15 HIS HA 4.000 . 4.700 4.595 3.209 4.738 0.038 18 0 "[ . 1 . 2]" 1
70 1 8 CYS H 1 15 HIS HD1 5.000 . 6.000 5.369 4.604 5.826 . 0 0 "[ . 1 . 2]" 1
71 1 8 CYS H 1 16 MET H 5.000 . 6.000 4.884 3.943 5.157 . 0 0 "[ . 1 . 2]" 1
72 1 8 CYS H 1 16 MET ME 4.000 . 4.700 2.415 1.822 3.224 . 0 0 "[ . 1 . 2]" 1
73 1 8 CYS H 1 21 LEU QD 5.000 . 6.000 3.987 3.664 4.295 . 0 0 "[ . 1 . 2]" 1
74 1 8 CYS HA 1 10 TYR H 5.000 . 6.000 3.785 3.515 3.999 . 0 0 "[ . 1 . 2]" 1
75 1 8 CYS HA 1 21 LEU QD 4.000 . 4.700 2.660 2.081 3.188 . 0 0 "[ . 1 . 2]" 1
76 1 8 CYS QB 1 10 TYR H 5.000 . 6.000 2.613 2.334 3.070 . 0 0 "[ . 1 . 2]" 1
77 1 8 CYS QB 1 11 ASP H 5.000 . 6.000 3.947 3.532 4.549 . 0 0 "[ . 1 . 2]" 1
78 1 8 CYS QB 1 14 HIS H 5.000 . 6.000 5.212 4.718 5.398 . 0 0 "[ . 1 . 2]" 1
79 1 8 CYS QB 1 14 HIS QB 4.000 . 4.700 3.211 2.904 3.541 . 0 0 "[ . 1 . 2]" 1
80 1 8 CYS QB 1 16 MET ME 4.000 . 4.700 1.925 1.757 2.238 0.043 5 0 "[ . 1 . 2]" 1
81 1 8 CYS QB 1 21 LEU QD 4.000 . 4.700 2.410 2.240 2.624 . 0 0 "[ . 1 . 2]" 1
82 1 8 CYS QB 1 24 HIS HE1 5.000 . 6.000 2.302 2.171 2.487 . 0 0 "[ . 1 . 2]" 1
83 1 9 PRO QD 1 10 TYR H 5.000 . 6.000 2.868 2.621 3.243 . 0 0 "[ . 1 . 2]" 1
84 1 9 PRO QD 1 10 TYR QD 5.000 . 6.000 3.347 2.053 3.919 . 0 0 "[ . 1 . 2]" 1
85 1 9 PRO QD 1 10 TYR QE 5.000 . 6.000 3.538 2.734 3.983 . 0 0 "[ . 1 . 2]" 1
86 1 9 PRO QD 1 21 LEU QD 5.000 . 6.000 2.732 2.196 3.273 . 0 0 "[ . 1 . 2]" 1
87 1 9 PRO QG 1 10 TYR H 4.000 . 4.700 3.421 2.887 4.017 . 0 0 "[ . 1 . 2]" 1
88 1 9 PRO QG 1 10 TYR QD 4.000 . 4.700 3.307 2.296 3.745 . 0 0 "[ . 1 . 2]" 1
89 1 9 PRO QG 1 10 TYR QE 4.000 . 4.700 3.174 2.395 3.739 . 0 0 "[ . 1 . 2]" 1
90 1 10 TYR H 1 10 TYR QD 4.000 . 4.700 3.031 1.813 3.519 . 0 0 "[ . 1 . 2]" 1
91 1 10 TYR H 1 10 TYR QE 5.000 . 6.000 4.602 4.124 5.049 . 0 0 "[ . 1 . 2]" 1
92 1 10 TYR H 1 11 ASP H 4.000 . 4.700 2.281 1.978 2.642 . 0 0 "[ . 1 . 2]" 1
93 1 10 TYR H 1 12 SER QB 5.000 . 6.000 5.310 4.991 5.372 . 0 0 "[ . 1 . 2]" 1
94 1 10 TYR HA 1 10 TYR QD 4.000 . 4.700 2.321 1.987 2.837 . 0 0 "[ . 1 . 2]" 1
95 1 10 TYR HA 1 10 TYR QE 5.000 . 6.000 4.483 4.345 4.610 . 0 0 "[ . 1 . 2]" 1
96 1 10 TYR HA 1 11 ASP H 4.000 . 4.700 3.413 3.202 3.522 . 0 0 "[ . 1 . 2]" 1
97 1 10 TYR QB 1 11 ASP H 4.000 . 4.700 3.010 2.581 3.528 . 0 0 "[ . 1 . 2]" 1
98 1 10 TYR QB 1 29 ARG H 5.000 . 6.000 4.616 4.098 5.215 . 0 0 "[ . 1 . 2]" 1
99 1 10 TYR QB 1 29 ARG QB 5.000 . 6.000 4.226 3.742 4.758 . 0 0 "[ . 1 . 2]" 1
100 1 10 TYR QB 1 29 ARG QG 4.000 . 4.700 3.513 2.782 3.744 . 0 0 "[ . 1 . 2]" 1
101 1 10 TYR QD 1 11 ASP H 5.000 . 6.000 4.423 4.153 4.821 . 0 0 "[ . 1 . 2]" 1
102 1 10 TYR QD 1 12 SER QB 4.000 . 4.700 6.478 5.263 7.230 2.530 10 20 [***-*****+**********] 1
103 1 10 TYR QD 1 21 LEU QD 5.000 . 6.000 3.980 3.785 4.012 . 0 0 "[ . 1 . 2]" 1
104 1 10 TYR QD 1 25 MET H 5.000 . 6.000 5.132 4.745 5.388 . 0 0 "[ . 1 . 2]" 1
105 1 10 TYR QD 1 25 MET HA 5.000 . 6.000 3.399 2.841 3.973 . 0 0 "[ . 1 . 2]" 1
106 1 10 TYR QD 1 25 MET QB 4.000 . 4.700 3.749 3.737 3.770 . 0 0 "[ . 1 . 2]" 1
107 1 10 TYR QD 1 25 MET ME 5.000 . 6.000 4.351 3.962 4.456 . 0 0 "[ . 1 . 2]" 1
108 1 10 TYR QD 1 25 MET QG 5.000 . 6.000 4.029 3.315 4.768 . 0 0 "[ . 1 . 2]" 1
109 1 10 TYR QD 1 28 CYS QB 4.000 . 4.700 3.311 2.951 3.732 . 0 0 "[ . 1 . 2]" 1
110 1 10 TYR QD 1 29 ARG H 5.000 . 6.000 4.016 3.115 4.741 . 0 0 "[ . 1 . 2]" 1
111 1 10 TYR QD 1 29 ARG HA 5.000 . 6.000 3.887 2.584 4.410 . 0 0 "[ . 1 . 2]" 1
112 1 10 TYR QD 1 29 ARG QB 5.000 . 6.000 3.247 2.195 3.963 . 0 0 "[ . 1 . 2]" 1
113 1 10 TYR QD 1 29 ARG QG 5.000 . 6.000 3.124 2.149 3.596 . 0 0 "[ . 1 . 2]" 1
114 1 10 TYR QE 1 12 SER QB 5.000 . 6.000 8.166 7.167 8.849 2.849 10 20 [***-*****+**********] 1
115 1 10 TYR QE 1 21 LEU QD 5.000 . 6.000 3.346 2.692 3.729 . 0 0 "[ . 1 . 2]" 1
116 1 10 TYR QE 1 25 MET H 5.000 . 6.000 4.529 4.053 4.921 . 0 0 "[ . 1 . 2]" 1
117 1 10 TYR QE 1 25 MET HA 4.000 . 4.700 3.491 2.927 4.016 . 0 0 "[ . 1 . 2]" 1
118 1 10 TYR QE 1 25 MET QB 4.000 . 4.700 2.400 1.944 2.830 . 0 0 "[ . 1 . 2]" 1
119 1 10 TYR QE 1 25 MET ME 5.000 . 6.000 2.458 1.923 2.916 . 0 0 "[ . 1 . 2]" 1
120 1 10 TYR QE 1 25 MET QG 5.000 . 6.000 2.681 1.926 3.574 . 0 0 "[ . 1 . 2]" 1
121 1 10 TYR QE 1 28 CYS QB 5.000 . 6.000 4.755 4.513 4.803 . 0 0 "[ . 1 . 2]" 1
122 1 10 TYR QE 1 29 ARG H 5.000 . 6.000 4.841 3.922 5.231 . 0 0 "[ . 1 . 2]" 1
123 1 10 TYR QE 1 29 ARG HA 5.000 . 6.000 4.899 4.031 5.285 . 0 0 "[ . 1 . 2]" 1
124 1 10 TYR QE 1 29 ARG QB 4.000 . 4.700 3.212 1.975 3.734 . 0 0 "[ . 1 . 2]" 1
125 1 10 TYR QE 1 29 ARG QG 5.000 . 6.000 2.978 2.178 3.488 . 0 0 "[ . 1 . 2]" 1
126 1 11 ASP H 1 12 SER H 5.000 . 6.000 2.514 1.881 3.776 . 0 0 "[ . 1 . 2]" 1
127 1 11 ASP H 1 12 SER HA 5.000 . 6.000 4.700 3.984 5.806 . 0 0 "[ . 1 . 2]" 1
128 1 11 ASP HA 1 12 SER H 4.000 . 4.700 2.991 2.145 3.534 . 0 0 "[ . 1 . 2]" 1
129 1 11 ASP HA 1 13 ASN H 5.000 . 6.000 4.431 3.691 6.022 0.022 8 0 "[ . 1 . 2]" 1
130 1 12 SER H 1 13 ASN H 5.000 . 6.000 3.148 1.843 4.061 . 0 0 "[ . 1 . 2]" 1
131 1 12 SER HA 1 13 ASN H 4.000 . 4.700 3.142 2.182 3.573 . 0 0 "[ . 1 . 2]" 1
132 1 12 SER QB 1 13 ASN H 5.000 . 6.000 2.966 2.303 3.866 . 0 0 "[ . 1 . 2]" 1
133 1 13 ASN H 1 13 ASN QD 5.000 . 6.000 4.107 2.244 5.172 . 0 0 "[ . 1 . 2]" 1
134 1 13 ASN H 1 14 HIS H 4.000 . 4.700 3.123 1.987 3.749 . 0 0 "[ . 1 . 2]" 1
135 1 13 ASN HA 1 14 HIS H 2.200 . 2.700 2.670 2.426 2.792 0.092 11 0 "[ . 1 . 2]" 1
136 1 13 ASN HA 1 15 HIS HD1 5.000 . 6.000 4.964 3.490 5.504 . 0 0 "[ . 1 . 2]" 1
137 1 13 ASN HA 1 15 HIS HE1 5.000 . 6.000 5.244 3.253 6.009 0.009 13 0 "[ . 1 . 2]" 1
138 1 14 HIS H 1 15 HIS H 5.000 . 6.000 4.363 4.128 4.525 . 0 0 "[ . 1 . 2]" 1
139 1 14 HIS H 1 15 HIS HD1 5.000 . 6.000 4.815 3.215 5.405 . 0 0 "[ . 1 . 2]" 1
140 1 14 HIS H 1 16 MET ME 5.000 . 6.000 4.217 3.935 4.368 . 0 0 "[ . 1 . 2]" 1
141 1 14 HIS HA 1 15 HIS H 4.000 . 4.700 2.181 2.158 2.214 . 0 0 "[ . 1 . 2]" 1
142 1 14 HIS QB 1 15 HIS H 5.000 . 6.000 3.618 3.261 3.929 . 0 0 "[ . 1 . 2]" 1
143 1 14 HIS QB 1 16 MET ME 5.000 . 6.000 1.973 1.775 2.622 0.025 8 0 "[ . 1 . 2]" 1
144 1 14 HIS QB 1 24 HIS HE1 5.000 . 6.000 4.116 3.933 4.341 . 0 0 "[ . 1 . 2]" 1
145 1 14 HIS HE1 1 24 HIS HE1 5.000 . 6.000 4.891 4.772 5.097 . 0 0 "[ . 1 . 2]" 1
146 1 14 HIS HE1 1 27 SER H 5.000 . 6.000 5.468 4.785 5.921 . 0 0 "[ . 1 . 2]" 1
147 1 14 HIS HE1 1 27 SER QB 5.000 . 6.000 3.875 3.162 4.281 . 0 0 "[ . 1 . 2]" 1
148 1 14 HIS HE1 1 28 CYS QB 5.000 . 6.000 2.005 1.893 2.803 . 0 0 "[ . 1 . 2]" 1
149 1 15 HIS H 1 15 HIS HD1 5.000 . 6.000 3.614 2.619 4.129 . 0 0 "[ . 1 . 2]" 1
150 1 15 HIS H 1 16 MET ME 5.000 . 6.000 3.954 3.136 4.727 . 0 0 "[ . 1 . 2]" 1
151 1 15 HIS HA 1 15 HIS HD1 4.000 . 4.700 2.540 2.153 3.202 . 0 0 "[ . 1 . 2]" 1
152 1 15 HIS HA 1 16 MET H 4.000 . 4.700 2.135 2.102 2.154 . 0 0 "[ . 1 . 2]" 1
153 1 15 HIS HA 1 16 MET ME 5.000 . 6.000 3.565 3.116 4.245 . 0 0 "[ . 1 . 2]" 1
154 1 15 HIS QB 1 16 MET H 5.000 . 6.000 3.495 3.180 3.544 . 0 0 "[ . 1 . 2]" 1
155 1 16 MET H 1 16 MET ME 4.000 . 4.700 3.079 2.398 3.753 . 0 0 "[ . 1 . 2]" 1
156 1 16 MET H 1 16 MET QG 4.000 . 4.700 2.743 2.143 3.207 . 0 0 "[ . 1 . 2]" 1
157 1 16 MET H 1 17 PRO HA 5.000 . 6.000 5.087 4.992 5.174 . 0 0 "[ . 1 . 2]" 1
158 1 16 MET H 1 17 PRO QD 5.000 . 6.000 4.343 4.293 4.365 . 0 0 "[ . 1 . 2]" 1
159 1 16 MET H 1 21 LEU QD 5.000 . 6.000 4.196 3.984 4.370 . 0 0 "[ . 1 . 2]" 1
160 1 16 MET H 1 24 HIS QB 5.000 . 6.000 5.350 5.272 5.385 . 0 0 "[ . 1 . 2]" 1
161 1 16 MET QB 1 17 PRO QD 5.000 . 6.000 2.159 2.010 2.329 . 0 0 "[ . 1 . 2]" 1
162 1 16 MET QB 1 20 SER H 5.000 . 6.000 4.724 4.341 4.978 . 0 0 "[ . 1 . 2]" 1
163 1 16 MET QB 1 20 SER HA 5.000 . 6.000 5.204 4.441 5.354 . 0 0 "[ . 1 . 2]" 1
164 1 16 MET QB 1 21 LEU H 5.000 . 6.000 5.161 4.857 5.368 . 0 0 "[ . 1 . 2]" 1
165 1 16 MET QB 1 21 LEU QD 5.000 . 6.000 3.701 3.459 3.969 . 0 0 "[ . 1 . 2]" 1
166 1 16 MET QB 1 24 HIS QB 5.000 . 6.000 3.031 2.678 3.969 . 0 0 "[ . 1 . 2]" 1
167 1 16 MET ME 1 21 LEU QD 5.000 . 6.000 2.570 1.970 3.246 . 0 0 "[ . 1 . 2]" 1
168 1 16 MET ME 1 24 HIS QB 5.000 . 6.000 2.515 1.775 3.780 0.025 8 0 "[ . 1 . 2]" 1
169 1 16 MET ME 1 24 HIS HE1 4.000 . 4.700 3.569 2.974 4.296 . 0 0 "[ . 1 . 2]" 1
170 1 16 MET QG 1 18 LYS HA 5.000 . 6.000 4.430 4.141 4.937 . 0 0 "[ . 1 . 2]" 1
171 1 16 MET QG 1 20 SER H 5.000 . 6.000 4.144 3.669 4.811 . 0 0 "[ . 1 . 2]" 1
172 1 16 MET QG 1 21 LEU H 5.000 . 6.000 4.075 3.707 4.673 . 0 0 "[ . 1 . 2]" 1
173 1 16 MET QG 1 24 HIS QB 5.000 . 6.000 2.196 1.928 2.755 . 0 0 "[ . 1 . 2]" 1
174 1 17 PRO HA 1 18 LYS H 4.000 . 4.700 2.190 2.169 2.265 . 0 0 "[ . 1 . 2]" 1
175 1 17 PRO HA 1 20 SER H 5.000 . 6.000 4.921 4.658 5.212 . 0 0 "[ . 1 . 2]" 1
176 1 18 LYS H 1 18 LYS QD 5.000 . 6.000 4.355 3.519 4.828 . 0 0 "[ . 1 . 2]" 1
177 1 18 LYS H 1 20 SER H 4.000 . 4.700 4.438 4.238 4.654 . 0 0 "[ . 1 . 2]" 1
178 1 18 LYS H 1 21 LEU QD 5.000 . 6.000 4.478 4.461 4.498 . 0 0 "[ . 1 . 2]" 1
179 1 18 LYS HA 1 21 LEU H 5.000 . 6.000 4.274 4.051 4.431 . 0 0 "[ . 1 . 2]" 1
180 1 18 LYS HA 1 21 LEU QD 5.000 . 6.000 2.463 2.395 2.544 . 0 0 "[ . 1 . 2]" 1
181 1 18 LYS QG 1 21 LEU QB 5.000 . 6.000 4.635 4.282 4.769 . 0 0 "[ . 1 . 2]" 1
182 1 19 SER HA 1 21 LEU H 4.000 . 4.700 3.704 3.621 3.809 . 0 0 "[ . 1 . 2]" 1
183 1 20 SER H 1 21 LEU H 4.000 . 4.700 1.955 1.879 1.992 . 0 0 "[ . 1 . 2]" 1
184 1 20 SER H 1 21 LEU QB 5.000 . 6.000 3.682 3.579 3.760 . 0 0 "[ . 1 . 2]" 1
185 1 20 SER H 1 21 LEU QD 5.000 . 6.000 3.199 2.874 3.420 . 0 0 "[ . 1 . 2]" 1
186 1 20 SER H 1 24 HIS QB 5.000 . 6.000 5.382 5.280 5.426 . 0 0 "[ . 1 . 2]" 1
187 1 20 SER HA 1 21 LEU H 5.000 . 6.000 3.149 3.082 3.217 . 0 0 "[ . 1 . 2]" 1
188 1 20 SER HA 1 23 LYS QB 3.000 . 3.600 3.004 2.785 3.212 . 0 0 "[ . 1 . 2]" 1
189 1 20 SER HA 1 24 HIS H 5.000 . 6.000 4.514 4.337 4.649 . 0 0 "[ . 1 . 2]" 1
190 1 21 LEU H 1 21 LEU QD 4.000 . 4.700 2.654 2.317 2.824 . 0 0 "[ . 1 . 2]" 1
191 1 21 LEU H 1 21 LEU HG 4.000 . 4.700 4.110 3.951 4.185 . 0 0 "[ . 1 . 2]" 1
192 1 21 LEU H 1 22 ALA H 5.000 . 6.000 2.753 2.658 2.866 . 0 0 "[ . 1 . 2]" 1
193 1 21 LEU H 1 22 ALA HA 5.000 . 6.000 5.336 5.265 5.422 . 0 0 "[ . 1 . 2]" 1
194 1 21 LEU H 1 22 ALA MB 5.000 . 6.000 4.354 4.304 4.490 . 0 0 "[ . 1 . 2]" 1
195 1 21 LEU H 1 23 LYS H 5.000 . 6.000 4.236 4.099 4.424 . 0 0 "[ . 1 . 2]" 1
196 1 21 LEU H 1 24 HIS QB 5.000 . 6.000 4.513 4.356 4.685 . 0 0 "[ . 1 . 2]" 1
197 1 21 LEU HA 1 22 ALA H 5.000 . 6.000 3.546 3.480 3.572 . 0 0 "[ . 1 . 2]" 1
198 1 21 LEU HA 1 23 LYS H 5.000 . 6.000 4.407 4.264 4.636 . 0 0 "[ . 1 . 2]" 1
199 1 21 LEU HA 1 24 HIS H 4.000 . 4.700 3.231 3.151 3.367 . 0 0 "[ . 1 . 2]" 1
200 1 21 LEU HA 1 25 MET H 5.000 . 6.000 3.890 3.436 4.270 . 0 0 "[ . 1 . 2]" 1
201 1 21 LEU QB 1 22 ALA H 5.000 . 6.000 2.682 2.582 2.933 . 0 0 "[ . 1 . 2]" 1
202 1 21 LEU QD 1 22 ALA H 5.000 . 6.000 3.962 3.905 4.033 . 0 0 "[ . 1 . 2]" 1
203 1 21 LEU QD 1 24 HIS H 5.000 . 6.000 4.135 4.055 4.266 . 0 0 "[ . 1 . 2]" 1
204 1 21 LEU QD 1 24 HIS QB 4.000 . 4.700 2.961 2.721 3.123 . 0 0 "[ . 1 . 2]" 1
205 1 21 LEU QD 1 24 HIS HE1 5.000 . 6.000 4.023 3.853 4.311 . 0 0 "[ . 1 . 2]" 1
206 1 21 LEU QD 1 25 MET H 5.000 . 6.000 3.801 3.493 4.222 . 0 0 "[ . 1 . 2]" 1
207 1 21 LEU QD 1 25 MET QG 5.000 . 6.000 3.186 2.688 4.002 . 0 0 "[ . 1 . 2]" 1
208 1 22 ALA H 1 23 LYS H 5.000 . 6.000 2.727 2.514 2.846 . 0 0 "[ . 1 . 2]" 1
209 1 22 ALA HA 1 25 MET H 4.000 . 4.700 3.508 3.312 3.780 . 0 0 "[ . 1 . 2]" 1
210 1 22 ALA HA 1 25 MET ME 5.000 . 6.000 3.479 2.584 4.364 . 0 0 "[ . 1 . 2]" 1
211 1 22 ALA MB 1 23 LYS H 4.000 . 4.700 2.510 2.336 2.641 . 0 0 "[ . 1 . 2]" 1
212 1 22 ALA MB 1 23 LYS HA 5.000 . 6.000 3.776 3.703 3.864 . 0 0 "[ . 1 . 2]" 1
213 1 22 ALA MB 1 25 MET H 5.000 . 6.000 4.686 4.526 4.831 . 0 0 "[ . 1 . 2]" 1
214 1 23 LYS H 1 24 HIS H 4.000 . 4.700 2.583 2.546 2.611 . 0 0 "[ . 1 . 2]" 1
215 1 23 LYS H 1 24 HIS QB 5.000 . 6.000 4.307 4.269 4.344 . 0 0 "[ . 1 . 2]" 1
216 1 23 LYS H 1 25 MET H 5.000 . 6.000 4.309 4.069 4.393 . 0 0 "[ . 1 . 2]" 1
217 1 23 LYS HA 1 24 HIS H 4.000 . 4.700 3.504 3.481 3.560 . 0 0 "[ . 1 . 2]" 1
218 1 23 LYS HA 1 26 ALA H 4.000 . 4.700 3.619 3.480 3.691 . 0 0 "[ . 1 . 2]" 1
219 1 23 LYS HA 1 26 ALA MB 5.000 . 6.000 2.698 2.565 2.853 . 0 0 "[ . 1 . 2]" 1
220 1 23 LYS QB 1 24 HIS H 5.000 . 6.000 2.792 2.493 2.909 . 0 0 "[ . 1 . 2]" 1
221 1 23 LYS QB 1 26 ALA H 5.000 . 6.000 5.025 4.895 5.193 . 0 0 "[ . 1 . 2]" 1
222 1 24 HIS H 1 25 MET H 4.000 . 4.700 2.632 2.589 2.694 . 0 0 "[ . 1 . 2]" 1
223 1 24 HIS H 1 26 ALA H 5.000 . 6.000 3.967 3.810 4.131 . 0 0 "[ . 1 . 2]" 1
224 1 24 HIS HA 1 25 MET H 5.000 . 6.000 3.563 3.541 3.577 . 0 0 "[ . 1 . 2]" 1
225 1 24 HIS HA 1 26 ALA H 5.000 . 6.000 4.283 4.156 4.454 . 0 0 "[ . 1 . 2]" 1
226 1 24 HIS HA 1 27 SER H 4.000 . 4.700 3.648 3.601 3.698 . 0 0 "[ . 1 . 2]" 1
227 1 24 HIS HA 1 28 CYS H 5.000 . 6.000 3.580 3.466 3.644 . 0 0 "[ . 1 . 2]" 1
228 1 24 HIS QB 1 25 MET H 4.000 . 4.700 3.017 2.953 3.061 . 0 0 "[ . 1 . 2]" 1
229 1 24 HIS QB 1 27 SER QB 5.000 . 6.000 4.770 4.763 4.780 . 0 0 "[ . 1 . 2]" 1
230 1 24 HIS HE1 1 25 MET QG 5.000 . 6.000 4.820 4.318 5.217 . 0 0 "[ . 1 . 2]" 1
231 1 24 HIS HE1 1 28 CYS HA 5.000 . 6.000 4.922 4.812 5.037 . 0 0 "[ . 1 . 2]" 1
232 1 24 HIS HE1 1 28 CYS QB 5.000 . 6.000 2.331 2.161 2.431 . 0 0 "[ . 1 . 2]" 1
233 1 25 MET H 1 25 MET ME 5.000 . 6.000 4.203 3.815 4.995 . 0 0 "[ . 1 . 2]" 1
234 1 25 MET H 1 25 MET QG 4.000 . 4.700 2.245 1.677 3.946 0.123 8 0 "[ . 1 . 2]" 1
235 1 25 MET H 1 26 ALA H 4.000 . 4.700 2.712 2.640 2.764 . 0 0 "[ . 1 . 2]" 1
236 1 25 MET H 1 26 ALA MB 5.000 . 6.000 4.316 4.239 4.404 . 0 0 "[ . 1 . 2]" 1
237 1 25 MET H 1 29 ARG QB 5.000 . 6.000 4.439 4.334 4.612 . 0 0 "[ . 1 . 2]" 1
238 1 25 MET HA 1 26 ALA H 4.000 . 4.700 3.518 3.492 3.541 . 0 0 "[ . 1 . 2]" 1
239 1 25 MET HA 1 27 SER H 5.000 . 6.000 3.626 3.520 3.717 . 0 0 "[ . 1 . 2]" 1
240 1 25 MET HA 1 28 CYS H 4.000 . 4.700 3.430 3.292 3.681 . 0 0 "[ . 1 . 2]" 1
241 1 25 MET HA 1 28 CYS QB 5.000 . 6.000 2.648 2.456 2.866 . 0 0 "[ . 1 . 2]" 1
242 1 25 MET HA 1 29 ARG H 4.000 . 4.700 2.028 1.898 2.294 . 0 0 "[ . 1 . 2]" 1
243 1 25 MET QB 1 26 ALA H 5.000 . 6.000 2.865 2.545 3.246 . 0 0 "[ . 1 . 2]" 1
244 1 25 MET QG 1 26 ALA H 5.000 . 6.000 3.183 2.565 3.839 . 0 0 "[ . 1 . 2]" 1
245 1 26 ALA H 1 27 SER H 4.000 . 4.700 2.725 2.672 2.778 . 0 0 "[ . 1 . 2]" 1
246 1 26 ALA H 1 27 SER HA 5.000 . 6.000 5.346 5.312 5.385 . 0 0 "[ . 1 . 2]" 1
247 1 26 ALA H 1 28 CYS H 5.000 . 6.000 4.417 4.288 4.565 . 0 0 "[ . 1 . 2]" 1
248 1 26 ALA HA 1 28 CYS H 5.000 . 6.000 5.346 5.279 5.482 . 0 0 "[ . 1 . 2]" 1
249 1 26 ALA MB 1 27 SER H 5.000 . 6.000 2.967 2.902 3.045 . 0 0 "[ . 1 . 2]" 1
250 1 26 ALA MB 1 28 CYS H 5.000 . 6.000 4.797 4.731 4.922 . 0 0 "[ . 1 . 2]" 1
251 1 27 SER H 1 28 CYS H 4.000 . 4.700 2.181 2.117 2.305 . 0 0 "[ . 1 . 2]" 1
252 1 27 SER H 1 28 CYS QB 5.000 . 6.000 3.901 3.848 3.939 . 0 0 "[ . 1 . 2]" 1
253 1 27 SER HA 1 28 CYS H 4.000 . 4.700 3.565 3.554 3.573 . 0 0 "[ . 1 . 2]" 1
254 1 27 SER QB 1 28 CYS H 5.000 . 6.000 2.369 2.163 2.472 . 0 0 "[ . 1 . 2]" 1
255 1 28 CYS H 1 29 ARG H 4.000 . 4.700 2.709 2.652 2.795 . 0 0 "[ . 1 . 2]" 1
256 1 28 CYS HA 1 29 ARG H 4.000 . 4.700 3.553 3.545 3.563 . 0 0 "[ . 1 . 2]" 1
257 1 28 CYS HA 1 31 ARG H 5.000 . 6.000 3.792 3.592 3.963 . 0 0 "[ . 1 . 2]" 1
258 1 28 CYS QB 1 29 ARG H 5.000 . 6.000 2.427 2.314 2.541 . 0 0 "[ . 1 . 2]" 1
259 1 29 ARG H 1 30 LEU H 4.000 . 4.700 2.480 2.439 2.555 . 0 0 "[ . 1 . 2]" 1
260 1 29 ARG HA 1 30 LEU H 4.000 . 4.700 3.500 3.470 3.531 . 0 0 "[ . 1 . 2]" 1
261 1 29 ARG HA 1 31 ARG H 5.000 . 6.000 4.266 4.108 4.533 . 0 0 "[ . 1 . 2]" 1
262 1 29 ARG HA 1 32 LYS QB 5.000 . 6.000 2.741 2.243 3.201 . 0 0 "[ . 1 . 2]" 1
263 1 29 ARG QG 1 30 LEU H 5.000 . 6.000 4.472 4.197 4.640 . 0 0 "[ . 1 . 2]" 1
264 1 29 ARG QG 1 32 LYS QB 5.000 . 6.000 3.925 3.428 4.408 . 0 0 "[ . 1 . 2]" 1
265 1 30 LEU H 1 30 LEU HG 5.000 . 6.000 4.342 3.737 4.578 . 0 0 "[ . 1 . 2]" 1
266 1 30 LEU H 1 31 ARG H 4.000 . 4.700 2.580 2.466 2.711 . 0 0 "[ . 1 . 2]" 1
267 1 30 LEU H 1 31 ARG QB 5.000 . 6.000 4.365 4.187 4.512 . 0 0 "[ . 1 . 2]" 1
268 1 30 LEU HA 1 31 ARG H 4.000 . 4.700 3.516 3.486 3.557 . 0 0 "[ . 1 . 2]" 1
269 1 30 LEU QB 1 31 ARG H 5.000 . 6.000 2.703 2.402 2.889 . 0 0 "[ . 1 . 2]" 1
270 1 30 LEU QD 1 31 ARG H 5.000 . 6.000 3.953 3.335 4.230 . 0 0 "[ . 1 . 2]" 1
271 1 31 ARG H 1 31 ARG QD 5.000 . 6.000 4.208 2.684 4.746 . 0 0 "[ . 1 . 2]" 1
272 1 31 ARG H 1 31 ARG QG 4.000 . 4.700 3.585 2.757 4.095 . 0 0 "[ . 1 . 2]" 1
273 1 31 ARG HA 1 32 LYS H 4.000 . 4.700 3.540 3.493 3.572 . 0 0 "[ . 1 . 2]" 1
274 1 36 THR HA 1 37 LYS H 4.000 . 4.700 2.549 2.150 3.570 . 0 0 "[ . 1 . 2]" 1
275 1 36 THR HB 1 37 LYS H 5.000 . 6.000 3.506 2.135 4.403 . 0 0 "[ . 1 . 2]" 1
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