NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
392686 |
1q3y   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1q3y
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 294
_Distance_constraint_stats_list.Viol_count 28
_Distance_constraint_stats_list.Viol_total 0.823
_Distance_constraint_stats_list.Viol_max 0.130
_Distance_constraint_stats_list.Viol_rms 0.0121
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0028
_Distance_constraint_stats_list.Viol_average_violations_only 0.0294
_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 2 VAL 0.000 0.000 . 0 "[ ]"
1 3 LYS 0.000 0.000 . 0 "[ ]"
1 4 CYS 0.143 0.060 1 0 "[ ]"
1 5 PHE 0.000 0.000 . 0 "[ ]"
1 6 ASN 0.000 0.000 . 0 "[ ]"
1 7 CYS 0.059 0.049 1 0 "[ ]"
1 8 GLY 0.000 0.000 . 0 "[ ]"
1 9 LYS 0.028 0.028 1 0 "[ ]"
1 10 GLU 0.000 0.000 . 0 "[ ]"
1 11 GLY 0.000 0.000 . 0 "[ ]"
1 12 HIS 0.151 0.055 1 0 "[ ]"
1 13 THR 0.000 0.000 . 0 "[ ]"
1 14 ALA 0.000 0.000 . 0 "[ ]"
1 15 ARG 0.000 0.000 . 0 "[ ]"
1 16 ASN 0.000 0.000 . 0 "[ ]"
1 17 HIS 0.118 0.073 1 0 "[ ]"
1 18 ARG 0.000 0.000 . 0 "[ ]"
1 19 ALA 0.000 0.000 . 0 "[ ]"
1 21 ARG 0.000 0.000 . 0 "[ ]"
1 22 LYS 0.010 0.010 1 0 "[ ]"
1 24 GLY 0.018 0.013 1 0 "[ ]"
1 25 CYS 0.060 0.037 1 0 "[ ]"
1 26 TRP 0.060 0.026 1 0 "[ ]"
1 27 LYS 0.066 0.040 1 0 "[ ]"
1 28 CYS 0.093 0.040 1 0 "[ ]"
1 29 GLY 0.000 0.000 . 0 "[ ]"
1 30 LYS 0.002 0.002 1 0 "[ ]"
1 31 GLU 0.149 0.130 1 0 "[ ]"
1 32 GLY 0.130 0.130 1 0 "[ ]"
1 33 HIS 0.171 0.052 1 0 "[ ]"
1 34 GLN 0.052 0.052 1 0 "[ ]"
1 35 MET 0.031 0.022 1 0 "[ ]"
1 36 LYS 0.000 0.000 . 0 "[ ]"
1 37 ASP 0.000 0.000 . 0 "[ ]"
1 38 CYS 0.072 0.041 1 0 "[ ]"
1 39 THR 0.000 0.000 . 0 "[ ]"
1 40 GLU 0.022 0.016 1 0 "[ ]"
1 41 ARG 0.036 0.029 1 0 "[ ]"
1 42 GLN 0.000 0.000 . 0 "[ ]"
2 1 ZN 0.145 0.073 1 0 "[ ]"
3 1 ZN 0.000 0.000 . 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 VAL QG 1 3 LYS H 3.500 . 4.200 2.034 2.034 2.034 . 0 0 "[ ]" 1
2 1 3 LYS H 1 3 LYS HB2 3.500 . 4.200 2.777 2.777 2.777 . 0 0 "[ ]" 1
3 1 3 LYS H 1 3 LYS HB3 3.500 . 4.200 3.420 3.420 3.420 . 0 0 "[ ]" 1
4 1 3 LYS H 1 4 CYS H 3.500 . 4.200 2.288 2.288 2.288 . 0 0 "[ ]" 1
5 1 3 LYS HA 1 4 CYS H 2.500 . 3.000 2.950 2.950 2.950 . 0 0 "[ ]" 1
6 1 3 LYS HB2 1 4 CYS H 5.000 . 6.000 4.363 4.363 4.363 . 0 0 "[ ]" 1
7 1 3 LYS HB3 1 4 CYS H 5.000 . 6.000 4.205 4.205 4.205 . 0 0 "[ ]" 1
8 1 3 LYS QG 1 4 CYS H 5.000 . 6.000 4.561 4.561 4.561 . 0 0 "[ ]" 1
9 1 4 CYS H 1 4 CYS HB2 3.500 . 4.200 2.691 2.691 2.691 . 0 0 "[ ]" 1
10 1 4 CYS H 1 4 CYS HB3 3.500 . 4.200 2.281 2.281 2.281 . 0 0 "[ ]" 1
11 1 4 CYS HA 1 5 PHE H 3.500 . 4.200 2.476 2.476 2.476 . 0 0 "[ ]" 1
12 1 4 CYS HB2 1 9 LYS H 3.500 . 4.200 4.228 4.228 4.228 0.028 1 0 "[ ]" 1
13 1 4 CYS HB2 1 12 HIS HD2 3.500 . 4.200 4.255 4.255 4.255 0.055 1 0 "[ ]" 1
14 1 4 CYS HB3 1 9 LYS H 3.500 . 4.200 2.837 2.837 2.837 . 0 0 "[ ]" 1
15 1 4 CYS SG 1 7 CYS SG 3.770 3.020 4.520 3.932 3.932 3.932 . 0 0 "[ ]" 1
16 1 4 CYS SG 1 12 HIS ND1 3.570 2.870 4.270 3.145 3.145 3.145 . 0 0 "[ ]" 1
17 1 4 CYS SG 1 17 HIS ND1 3.500 2.800 4.200 4.183 4.183 4.183 . 0 0 "[ ]" 1
18 1 4 CYS SG 2 1 ZN ZN 2.300 . 2.760 2.820 2.820 2.820 0.060 1 0 "[ ]" 1
19 1 5 PHE H 1 5 PHE HB2 3.500 . 4.200 3.559 3.559 3.559 . 0 0 "[ ]" 1
20 1 5 PHE H 1 5 PHE HB3 3.500 . 4.200 2.287 2.287 2.287 . 0 0 "[ ]" 1
21 1 5 PHE H 1 6 ASN H 5.000 . 6.000 2.337 2.337 2.337 . 0 0 "[ ]" 1
22 1 5 PHE H 1 13 THR HA 6.000 . 7.200 4.342 4.342 4.342 . 0 0 "[ ]" 1
23 1 5 PHE H 1 14 ALA MB 3.500 . 4.200 3.493 3.493 3.493 . 0 0 "[ ]" 1
24 1 5 PHE HA 1 6 ASN H 5.000 . 6.000 3.509 3.509 3.509 . 0 0 "[ ]" 1
25 1 5 PHE HA 1 8 GLY H 5.000 . 6.000 3.976 3.976 3.976 . 0 0 "[ ]" 1
26 1 5 PHE HB2 1 6 ASN H 5.000 . 6.000 4.262 4.262 4.262 . 0 0 "[ ]" 1
27 1 5 PHE HB3 1 6 ASN H 5.000 . 6.000 3.814 3.814 3.814 . 0 0 "[ ]" 1
28 1 5 PHE QD 1 14 ALA MB 3.500 . 4.200 2.323 2.323 2.323 . 0 0 "[ ]" 1
29 1 6 ASN H 1 6 ASN QB 3.500 . 4.200 2.001 2.001 2.001 . 0 0 "[ ]" 1
30 1 6 ASN H 1 7 CYS H 3.500 . 4.200 3.289 3.289 3.289 . 0 0 "[ ]" 1
31 1 6 ASN H 1 14 ALA MB 3.500 . 4.200 3.538 3.538 3.538 . 0 0 "[ ]" 1
32 1 6 ASN QB 1 14 ALA MB 3.500 . 4.200 3.007 3.007 3.007 . 0 0 "[ ]" 1
33 1 6 ASN QB 1 17 HIS HD2 3.500 . 4.200 2.272 2.272 2.272 . 0 0 "[ ]" 1
34 1 7 CYS H 1 7 CYS HB2 3.500 . 4.200 3.735 3.735 3.735 . 0 0 "[ ]" 1
35 1 7 CYS H 1 7 CYS HB3 3.500 . 4.200 2.954 2.954 2.954 . 0 0 "[ ]" 1
36 1 7 CYS H 1 8 GLY H 3.500 . 4.200 2.424 2.424 2.424 . 0 0 "[ ]" 1
37 1 7 CYS HA 1 8 GLY H 5.000 . 6.000 3.593 3.593 3.593 . 0 0 "[ ]" 1
38 1 7 CYS HA 1 17 HIS HE1 5.000 . 6.000 4.998 4.998 4.998 . 0 0 "[ ]" 1
39 1 7 CYS HB2 1 17 HIS HE1 3.500 . 4.200 3.295 3.295 3.295 . 0 0 "[ ]" 1
40 1 7 CYS HB3 1 17 HIS HE1 3.500 . 4.200 2.118 2.118 2.118 . 0 0 "[ ]" 1
41 1 7 CYS SG 1 12 HIS ND1 3.520 2.820 4.220 4.269 4.269 4.269 0.049 1 0 "[ ]" 1
42 1 7 CYS SG 1 17 HIS ND1 3.490 2.800 4.180 4.190 4.190 4.190 0.010 1 0 "[ ]" 1
43 1 7 CYS SG 2 1 ZN ZN 2.300 . 2.760 2.555 2.555 2.555 . 0 0 "[ ]" 1
44 1 8 GLY HA2 1 9 LYS H 5.000 . 6.000 2.605 2.605 2.605 . 0 0 "[ ]" 1
45 1 8 GLY HA3 1 9 LYS H 5.000 . 6.000 3.589 3.589 3.589 . 0 0 "[ ]" 1
46 1 9 LYS H 1 9 LYS QD 5.000 . 6.000 5.108 5.108 5.108 . 0 0 "[ ]" 1
47 1 9 LYS HA 1 10 GLU H 5.000 . 6.000 2.974 2.974 2.974 . 0 0 "[ ]" 1
48 1 9 LYS HB2 1 12 HIS HE1 3.500 . 4.200 3.491 3.491 3.491 . 0 0 "[ ]" 1
49 1 9 LYS HB3 1 12 HIS HE1 3.500 . 4.200 3.549 3.549 3.549 . 0 0 "[ ]" 1
50 1 10 GLU H 1 10 GLU HB2 3.500 . 4.200 3.820 3.820 3.820 . 0 0 "[ ]" 1
51 1 10 GLU H 1 10 GLU HB3 3.500 . 4.200 3.526 3.526 3.526 . 0 0 "[ ]" 1
52 1 10 GLU HA 1 11 GLY H 3.500 . 4.200 2.218 2.218 2.218 . 0 0 "[ ]" 1
53 1 10 GLU HA 1 12 HIS H 3.500 . 4.200 3.748 3.748 3.748 . 0 0 "[ ]" 1
54 1 10 GLU HB2 1 11 GLY H 5.000 . 6.000 3.785 3.785 3.785 . 0 0 "[ ]" 1
55 1 10 GLU HB3 1 11 GLY H 5.000 . 6.000 4.357 4.357 4.357 . 0 0 "[ ]" 1
56 1 10 GLU QG 1 11 GLY H 5.000 . 6.000 4.435 4.435 4.435 . 0 0 "[ ]" 1
57 1 11 GLY H 1 12 HIS H 3.500 . 4.200 2.216 2.216 2.216 . 0 0 "[ ]" 1
58 1 11 GLY HA2 1 12 HIS H 3.500 . 4.200 3.477 3.477 3.477 . 0 0 "[ ]" 1
59 1 11 GLY HA3 1 12 HIS H 3.500 . 4.200 3.061 3.061 3.061 . 0 0 "[ ]" 1
60 1 12 HIS H 1 12 HIS HB3 . . 4.200 3.537 3.537 3.537 . 0 0 "[ ]" 1
61 1 12 HIS HA 1 12 HIS HD2 5.000 . 6.000 2.491 2.491 2.491 . 0 0 "[ ]" 1
62 1 12 HIS HA 1 13 THR H 3.500 . 4.200 3.545 3.545 3.545 . 0 0 "[ ]" 1
63 1 12 HIS HB2 1 12 HIS HD2 3.500 . 4.200 3.756 3.756 3.756 . 0 0 "[ ]" 1
64 1 12 HIS HB2 1 13 THR H 3.500 . 4.200 2.715 2.715 2.715 . 0 0 "[ ]" 1
65 1 12 HIS HB2 1 16 ASN QB 5.000 . 6.000 3.537 3.537 3.537 . 0 0 "[ ]" 1
66 1 12 HIS HB3 1 13 THR H 3.500 . 4.200 3.816 3.816 3.816 . 0 0 "[ ]" 1
67 1 12 HIS HB3 1 15 ARG H 3.500 . 4.200 3.006 3.006 3.006 . 0 0 "[ ]" 1
68 1 12 HIS HB3 1 16 ASN QB 5.000 . 6.000 2.095 2.095 2.095 . 0 0 "[ ]" 1
69 1 12 HIS HD2 1 16 ASN QB 3.500 . 4.200 3.208 3.208 3.208 . 0 0 "[ ]" 1
70 1 12 HIS ND1 1 17 HIS ND1 3.080 2.480 3.680 3.715 3.715 3.715 0.035 1 0 "[ ]" 1
71 1 12 HIS ND1 2 1 ZN ZN 2.000 . 2.200 2.212 2.212 2.212 0.012 1 0 "[ ]" 1
72 1 13 THR H 1 13 THR MG 3.500 . 4.200 3.551 3.551 3.551 . 0 0 "[ ]" 1
73 1 13 THR HA 1 14 ALA H 3.500 . 4.200 2.836 2.836 2.836 . 0 0 "[ ]" 1
74 1 14 ALA H 1 15 ARG H 5.000 . 6.000 2.797 2.797 2.797 . 0 0 "[ ]" 1
75 1 14 ALA HA 1 15 ARG H 5.000 . 6.000 2.924 2.924 2.924 . 0 0 "[ ]" 1
76 1 14 ALA HA 1 17 HIS HD2 3.500 . 4.200 2.297 2.297 2.297 . 0 0 "[ ]" 1
77 1 14 ALA MB 1 17 HIS HD2 3.500 . 4.200 3.531 3.531 3.531 . 0 0 "[ ]" 1
78 1 15 ARG H 1 15 ARG HB2 3.500 . 4.200 2.538 2.538 2.538 . 0 0 "[ ]" 1
79 1 15 ARG H 1 15 ARG HB3 3.500 . 4.200 3.575 3.575 3.575 . 0 0 "[ ]" 1
80 1 15 ARG H 1 15 ARG QG 3.500 . 4.200 3.757 3.757 3.757 . 0 0 "[ ]" 1
81 1 15 ARG H 1 16 ASN H 3.500 . 4.200 2.087 2.087 2.087 . 0 0 "[ ]" 1
82 1 15 ARG HA 1 17 HIS H 5.000 . 6.000 4.208 4.208 4.208 . 0 0 "[ ]" 1
83 1 16 ASN H 1 16 ASN QB 3.500 . 4.200 2.721 2.721 2.721 . 0 0 "[ ]" 1
84 1 16 ASN H 1 17 HIS H 3.500 . 4.200 2.385 2.385 2.385 . 0 0 "[ ]" 1
85 1 16 ASN HA 1 17 HIS H 5.000 . 6.000 2.839 2.839 2.839 . 0 0 "[ ]" 1
86 1 17 HIS H 1 17 HIS QB 3.500 . 4.200 2.311 2.311 2.311 . 0 0 "[ ]" 1
87 1 17 HIS H 1 18 ARG H 3.500 . 4.200 4.071 4.071 4.071 . 0 0 "[ ]" 1
88 1 17 HIS QB 1 17 HIS HD2 3.500 . 4.200 2.713 2.713 2.713 . 0 0 "[ ]" 1
89 1 17 HIS QB 1 18 ARG H 5.000 . 6.000 3.794 3.794 3.794 . 0 0 "[ ]" 1
90 1 17 HIS ND1 2 1 ZN ZN 2.000 . 2.200 2.273 2.273 2.273 0.073 1 0 "[ ]" 1
91 1 18 ARG H 1 18 ARG QB 3.500 . 4.200 2.317 2.317 2.317 . 0 0 "[ ]" 1
92 1 18 ARG H 1 18 ARG QG 3.500 . 4.200 2.688 2.688 2.688 . 0 0 "[ ]" 1
93 1 18 ARG HA 1 19 ALA H 2.500 . 3.000 2.550 2.550 2.550 . 0 0 "[ ]" 1
94 1 18 ARG QB 1 19 ALA H 5.000 . 6.000 2.450 2.450 2.450 . 0 0 "[ ]" 1
95 1 18 ARG QG 1 19 ALA H 5.000 . 6.000 3.109 3.109 3.109 . 0 0 "[ ]" 1
96 1 21 ARG HG2 1 26 TRP HD1 5.000 . 6.000 5.003 5.003 5.003 . 0 0 "[ ]" 1
97 1 22 LYS HB2 1 26 TRP HD1 5.000 . 6.000 2.855 2.855 2.855 . 0 0 "[ ]" 1
98 1 22 LYS HE2 1 26 TRP HD1 5.000 . 6.000 6.010 6.010 6.010 0.010 1 0 "[ ]" 1
99 1 22 LYS HG2 1 26 TRP HD1 5.000 . 6.000 5.268 5.268 5.268 . 0 0 "[ ]" 1
100 1 24 GLY HA2 1 25 CYS H 3.500 . 4.200 2.743 2.743 2.743 . 0 0 "[ ]" 1
101 1 24 GLY HA2 1 31 GLU HA 3.500 . 4.200 2.252 2.252 2.252 . 0 0 "[ ]" 1
102 1 24 GLY HA2 1 31 GLU HG2 5.000 . 6.000 5.531 5.531 5.531 . 0 0 "[ ]" 1
103 1 24 GLY HA2 1 31 GLU HG3 5.000 . 6.000 6.013 6.013 6.013 0.013 1 0 "[ ]" 1
104 1 24 GLY HA3 1 25 CYS H 3.500 . 4.200 2.501 2.501 2.501 . 0 0 "[ ]" 1
105 1 24 GLY HA3 1 31 GLU HA 3.500 . 4.200 2.020 2.020 2.020 . 0 0 "[ ]" 1
106 1 24 GLY HA3 1 31 GLU HG2 5.000 . 6.000 5.425 5.425 5.425 . 0 0 "[ ]" 1
107 1 24 GLY HA3 1 31 GLU HG3 5.000 . 6.000 6.005 6.005 6.005 0.005 1 0 "[ ]" 1
108 1 25 CYS H 1 26 TRP H 4.500 . 5.400 4.681 4.681 4.681 . 0 0 "[ ]" 1
109 1 25 CYS H 1 31 GLU HA 4.500 . 5.400 3.548 3.548 3.548 . 0 0 "[ ]" 1
110 1 25 CYS HA 1 26 TRP H 2.500 . 3.000 2.305 2.305 2.305 . 0 0 "[ ]" 1
111 1 25 CYS HA 1 27 LYS H 4.500 . 5.400 3.989 3.989 3.989 . 0 0 "[ ]" 1
112 1 25 CYS HA 1 34 GLN HA 3.500 . 4.200 2.432 2.432 2.432 . 0 0 "[ ]" 1
113 1 25 CYS HA 1 35 MET H 3.500 . 4.200 2.639 2.639 2.639 . 0 0 "[ ]" 1
114 1 25 CYS HB2 1 26 TRP H 4.500 . 5.400 4.236 4.236 4.236 . 0 0 "[ ]" 1
115 1 25 CYS HB2 1 27 LYS H 4.500 . 5.400 4.346 4.346 4.346 . 0 0 "[ ]" 1
116 1 25 CYS HB2 1 28 CYS H 3.500 . 4.200 4.136 4.136 4.136 . 0 0 "[ ]" 1
117 1 25 CYS HB2 1 29 GLY H 3.500 . 4.200 3.817 3.817 3.817 . 0 0 "[ ]" 1
118 1 25 CYS HB2 1 30 LYS H 3.500 . 4.200 3.514 3.514 3.514 . 0 0 "[ ]" 1
119 1 25 CYS HB2 1 33 HIS HD2 3.500 . 4.200 2.523 2.523 2.523 . 0 0 "[ ]" 1
120 1 25 CYS HB3 1 26 TRP H 4.500 . 5.400 3.746 3.746 3.746 . 0 0 "[ ]" 1
121 1 25 CYS HB3 1 27 LYS H 4.500 . 5.400 2.907 2.907 2.907 . 0 0 "[ ]" 1
122 1 25 CYS HB3 1 28 CYS H 4.500 . 5.400 2.866 2.866 2.866 . 0 0 "[ ]" 1
123 1 25 CYS HB3 1 29 GLY H 3.500 . 4.200 2.145 2.145 2.145 . 0 0 "[ ]" 1
124 1 25 CYS HB3 1 30 LYS H 3.500 . 4.200 2.740 2.740 2.740 . 0 0 "[ ]" 1
125 1 25 CYS HB3 1 33 HIS HD2 3.500 . 4.200 4.237 4.237 4.237 0.037 1 0 "[ ]" 1
126 1 25 CYS SG 1 28 CYS SG 3.800 3.040 4.560 4.557 4.557 4.557 . 0 0 "[ ]" 1
127 1 25 CYS SG 1 33 HIS NE2 3.400 2.720 4.080 4.102 4.102 4.102 0.022 1 0 "[ ]" 1
128 1 25 CYS SG 1 38 CYS SG 3.500 2.800 4.200 3.466 3.466 3.466 . 0 0 "[ ]" 1
129 1 25 CYS SG 3 1 ZN ZN 2.300 . 2.760 2.743 2.743 2.743 . 0 0 "[ ]" 1
130 1 26 TRP H 1 27 LYS H 3.500 . 4.200 2.748 2.748 2.748 . 0 0 "[ ]" 1
131 1 26 TRP H 1 35 MET HB2 4.500 . 5.400 2.965 2.965 2.965 . 0 0 "[ ]" 1
132 1 26 TRP H 1 35 MET HB3 4.500 . 5.400 2.011 2.011 2.011 . 0 0 "[ ]" 1
133 1 26 TRP HA 1 26 TRP HD1 3.500 . 4.200 3.203 3.203 3.203 . 0 0 "[ ]" 1
134 1 26 TRP HA 1 26 TRP HE3 4.500 . 5.400 3.981 3.981 3.981 . 0 0 "[ ]" 1
135 1 26 TRP HB2 1 27 LYS H 4.500 . 5.400 4.234 4.234 4.234 . 0 0 "[ ]" 1
136 1 26 TRP HB2 1 35 MET HB2 5.000 . 6.000 2.956 2.956 2.956 . 0 0 "[ ]" 1
137 1 26 TRP HB2 1 35 MET HB3 5.000 . 6.000 1.799 1.799 1.799 0.001 1 0 "[ ]" 1
138 1 26 TRP HB2 1 35 MET HG2 5.000 . 6.000 3.105 3.105 3.105 . 0 0 "[ ]" 1
139 1 26 TRP HB2 1 35 MET HG3 5.000 . 6.000 4.221 4.221 4.221 . 0 0 "[ ]" 1
140 1 26 TRP HB3 1 27 LYS H 4.500 . 5.400 3.995 3.995 3.995 . 0 0 "[ ]" 1
141 1 26 TRP HB3 1 35 MET HB2 5.000 . 6.000 3.327 3.327 3.327 . 0 0 "[ ]" 1
142 1 26 TRP HB3 1 35 MET HB3 5.000 . 6.000 3.059 3.059 3.059 . 0 0 "[ ]" 1
143 1 26 TRP HB3 1 35 MET HG2 5.000 . 6.000 4.192 4.192 4.192 . 0 0 "[ ]" 1
144 1 26 TRP HB3 1 35 MET HG3 5.000 . 6.000 5.431 5.431 5.431 . 0 0 "[ ]" 1
145 1 26 TRP HD1 1 35 MET HB2 4.500 . 5.400 5.422 5.422 5.422 0.022 1 0 "[ ]" 1
146 1 26 TRP HD1 1 35 MET HB3 4.500 . 5.400 3.929 3.929 3.929 . 0 0 "[ ]" 1
147 1 26 TRP HE3 1 27 LYS HA 4.500 . 5.400 4.552 4.552 4.552 . 0 0 "[ ]" 1
148 1 26 TRP HE3 1 27 LYS HG2 5.000 . 6.000 4.443 4.443 4.443 . 0 0 "[ ]" 1
149 1 26 TRP HE3 1 27 LYS HG3 5.000 . 6.000 6.026 6.026 6.026 0.026 1 0 "[ ]" 1
150 1 26 TRP HE3 1 35 MET ME 5.000 . 6.000 4.567 4.567 4.567 . 0 0 "[ ]" 1
151 1 27 LYS H 1 27 LYS HG2 4.500 . 5.400 2.661 2.661 2.661 . 0 0 "[ ]" 1
152 1 27 LYS H 1 27 LYS HG3 4.500 . 5.400 2.273 2.273 2.273 . 0 0 "[ ]" 1
153 1 27 LYS H 1 28 CYS H 3.500 . 4.200 2.064 2.064 2.064 . 0 0 "[ ]" 1
154 1 27 LYS H 1 29 GLY H 3.500 . 4.200 2.835 2.835 2.835 . 0 0 "[ ]" 1
155 1 27 LYS H 1 35 MET HB2 4.500 . 5.400 5.049 5.049 5.049 . 0 0 "[ ]" 1
156 1 27 LYS H 1 35 MET HB3 4.500 . 5.400 4.657 4.657 4.657 . 0 0 "[ ]" 1
157 1 27 LYS HB2 1 28 CYS H 3.500 . 4.200 2.948 2.948 2.948 . 0 0 "[ ]" 1
158 1 27 LYS HB2 1 35 MET HB2 6.000 . 7.200 6.137 6.137 6.137 . 0 0 "[ ]" 1
159 1 27 LYS HB3 1 28 CYS H 3.500 . 4.200 4.006 4.006 4.006 . 0 0 "[ ]" 1
160 1 27 LYS HB3 1 35 MET HB3 6.000 . 7.200 6.192 6.192 6.192 . 0 0 "[ ]" 1
161 1 27 LYS HG2 1 28 CYS H 4.500 . 5.400 3.504 3.504 3.504 . 0 0 "[ ]" 1
162 1 27 LYS HG2 1 28 CYS HA 5.000 . 6.000 6.040 6.040 6.040 0.040 1 0 "[ ]" 1
163 1 27 LYS HG2 1 28 CYS HB2 6.000 . 7.200 6.304 6.304 6.304 . 0 0 "[ ]" 1
164 1 27 LYS HG2 1 28 CYS HB3 6.000 . 7.200 5.093 5.093 5.093 . 0 0 "[ ]" 1
165 1 27 LYS HG3 1 28 CYS H 4.500 . 5.400 2.048 2.048 2.048 . 0 0 "[ ]" 1
166 1 27 LYS HG3 1 28 CYS HA 5.000 . 6.000 4.637 4.637 4.637 . 0 0 "[ ]" 1
167 1 27 LYS HG3 1 28 CYS HB2 6.000 . 7.200 4.587 4.587 4.587 . 0 0 "[ ]" 1
168 1 27 LYS HG3 1 28 CYS HB3 6.000 . 7.200 3.396 3.396 3.396 . 0 0 "[ ]" 1
169 1 28 CYS H 1 29 GLY H 2.500 . 3.000 2.591 2.591 2.591 . 0 0 "[ ]" 1
170 1 28 CYS HB2 1 29 GLY H 4.500 . 5.400 4.149 4.149 4.149 . 0 0 "[ ]" 1
171 1 28 CYS HB2 1 40 GLU HB2 4.500 . 5.400 3.886 3.886 3.886 . 0 0 "[ ]" 1
172 1 28 CYS HB2 1 40 GLU HB3 4.500 . 5.400 5.218 5.218 5.218 . 0 0 "[ ]" 1
173 1 28 CYS HB3 1 29 GLY H 4.500 . 5.400 3.045 3.045 3.045 . 0 0 "[ ]" 1
174 1 28 CYS HB3 1 40 GLU HB2 4.500 . 5.400 4.163 4.163 4.163 . 0 0 "[ ]" 1
175 1 28 CYS HB3 1 40 GLU HB3 4.500 . 5.400 5.416 5.416 5.416 0.016 1 0 "[ ]" 1
176 1 28 CYS SG 1 33 HIS NE2 3.450 2.760 4.140 4.156 4.156 4.156 0.016 1 0 "[ ]" 1
177 1 28 CYS SG 1 38 CYS SG 3.800 3.040 4.560 4.582 4.582 4.582 0.022 1 0 "[ ]" 1
178 1 28 CYS SG 3 1 ZN ZN 2.300 . 2.760 2.630 2.630 2.630 . 0 0 "[ ]" 1
179 1 29 GLY H 1 30 LYS H 3.500 . 4.200 2.732 2.732 2.732 . 0 0 "[ ]" 1
180 1 29 GLY HA2 1 30 LYS H 3.500 . 4.200 2.522 2.522 2.522 . 0 0 "[ ]" 1
181 1 29 GLY HA3 1 30 LYS H 3.500 . 4.200 3.582 3.582 3.582 . 0 0 "[ ]" 1
182 1 30 LYS H 1 30 LYS HG2 4.500 . 5.400 4.529 4.529 4.529 . 0 0 "[ ]" 1
183 1 30 LYS H 1 30 LYS HG3 4.500 . 5.400 4.660 4.660 4.660 . 0 0 "[ ]" 1
184 1 30 LYS HA 1 31 GLU H 3.500 . 4.200 2.250 2.250 2.250 . 0 0 "[ ]" 1
185 1 30 LYS HB2 1 31 GLU H 3.500 . 4.200 4.202 4.202 4.202 0.002 1 0 "[ ]" 1
186 1 30 LYS HB2 1 33 HIS HE1 3.500 . 4.200 3.636 3.636 3.636 . 0 0 "[ ]" 1
187 1 30 LYS HB3 1 31 GLU H 3.500 . 4.200 4.183 4.183 4.183 . 0 0 "[ ]" 1
188 1 30 LYS HB3 1 33 HIS HE1 3.500 . 4.200 2.429 2.429 2.429 . 0 0 "[ ]" 1
189 1 30 LYS HD2 1 33 HIS HE1 4.500 . 5.400 3.770 3.770 3.770 . 0 0 "[ ]" 1
190 1 30 LYS HD3 1 33 HIS HE1 5.000 . 6.000 2.445 2.445 2.445 . 0 0 "[ ]" 1
191 1 30 LYS HG2 1 31 GLU H 4.500 . 5.400 3.281 3.281 3.281 . 0 0 "[ ]" 1
192 1 30 LYS HG2 1 33 HIS HE1 4.500 . 5.400 2.108 2.108 2.108 . 0 0 "[ ]" 1
193 1 30 LYS HG3 1 31 GLU H 4.500 . 5.400 2.580 2.580 2.580 . 0 0 "[ ]" 1
194 1 30 LYS HG3 1 33 HIS HE1 4.500 . 5.400 3.654 3.654 3.654 . 0 0 "[ ]" 1
195 1 31 GLU H 1 31 GLU HG2 3.500 . 4.200 2.360 2.360 2.360 . 0 0 "[ ]" 1
196 1 31 GLU H 1 31 GLU HG3 3.500 . 4.200 3.688 3.688 3.688 . 0 0 "[ ]" 1
197 1 31 GLU H 1 32 GLY H 3.500 . 4.200 4.330 4.330 4.330 0.130 1 0 "[ ]" 1
198 1 31 GLU HA 1 32 GLY H 3.500 . 4.200 2.877 2.877 2.877 . 0 0 "[ ]" 1
199 1 31 GLU HA 1 33 HIS H 3.500 . 4.200 4.067 4.067 4.067 . 0 0 "[ ]" 1
200 1 31 GLU HB2 1 32 GLY H 4.500 . 5.400 2.023 2.023 2.023 . 0 0 "[ ]" 1
201 1 31 GLU HB3 1 32 GLY H 4.500 . 5.400 3.528 3.528 3.528 . 0 0 "[ ]" 1
202 1 31 GLU HG2 1 32 GLY H 3.500 . 4.200 2.988 2.988 2.988 . 0 0 "[ ]" 1
203 1 31 GLU HG3 1 32 GLY H 3.500 . 4.200 2.641 2.641 2.641 . 0 0 "[ ]" 1
204 1 32 GLY H 1 33 HIS H 3.500 . 4.200 3.741 3.741 3.741 . 0 0 "[ ]" 1
205 1 32 GLY HA2 1 33 HIS H 3.500 . 4.200 3.576 3.576 3.576 . 0 0 "[ ]" 1
206 1 32 GLY HA3 1 33 HIS H 3.500 . 4.200 2.509 2.509 2.509 . 0 0 "[ ]" 1
207 1 33 HIS H 1 34 GLN H 3.500 . 4.200 4.252 4.252 4.252 0.052 1 0 "[ ]" 1
208 1 33 HIS HB2 1 34 GLN H 3.500 . 4.200 1.903 1.903 1.903 . 0 0 "[ ]" 1
209 1 33 HIS HB3 1 34 GLN H 5.000 . 6.000 3.477 3.477 3.477 . 0 0 "[ ]" 1
210 1 33 HIS HD2 1 34 GLN H 4.500 . 5.400 2.526 2.526 2.526 . 0 0 "[ ]" 1
211 1 33 HIS HD2 1 37 ASP HB2 4.500 . 5.400 3.390 3.390 3.390 . 0 0 "[ ]" 1
212 1 33 HIS HD2 1 37 ASP HB3 4.500 . 5.400 4.726 4.726 4.726 . 0 0 "[ ]" 1
213 1 33 HIS HD2 1 38 CYS HA 3.500 . 4.200 4.241 4.241 4.241 0.041 1 0 "[ ]" 1
214 1 33 HIS HD2 1 38 CYS HB2 3.500 . 4.200 2.099 2.099 2.099 . 0 0 "[ ]" 1
215 1 33 HIS HD2 1 38 CYS HB3 3.800 . 4.560 3.181 3.181 3.181 . 0 0 "[ ]" 1
216 1 33 HIS NE2 1 38 CYS SG 3.500 2.800 4.200 4.202 4.202 4.202 0.002 1 0 "[ ]" 1
217 1 33 HIS NE2 3 1 ZN ZN 2.000 . 2.400 2.379 2.379 2.379 . 0 0 "[ ]" 1
218 1 34 GLN H 1 34 GLN HG2 3.500 . 4.200 2.012 2.012 2.012 . 0 0 "[ ]" 1
219 1 34 GLN H 1 34 GLN HG3 3.500 . 4.200 3.667 3.667 3.667 . 0 0 "[ ]" 1
220 1 34 GLN H 1 37 ASP HB2 3.500 . 4.200 1.910 1.910 1.910 . 0 0 "[ ]" 1
221 1 34 GLN H 1 37 ASP HB3 3.500 . 4.200 3.533 3.533 3.533 . 0 0 "[ ]" 1
222 1 34 GLN HA 1 35 MET H 3.500 . 4.200 2.684 2.684 2.684 . 0 0 "[ ]" 1
223 1 34 GLN HB2 1 35 MET H 3.500 . 4.200 2.114 2.114 2.114 . 0 0 "[ ]" 1
224 1 34 GLN HB2 1 36 LYS H 5.000 . 6.000 2.964 2.964 2.964 . 0 0 "[ ]" 1
225 1 34 GLN HB2 1 36 LYS HG2 6.500 . 7.800 5.940 5.940 5.940 . 0 0 "[ ]" 1
226 1 34 GLN HB2 1 36 LYS HG3 6.500 . 7.800 4.396 4.396 4.396 . 0 0 "[ ]" 1
227 1 34 GLN HB3 1 35 MET H 3.500 . 4.200 3.608 3.608 3.608 . 0 0 "[ ]" 1
228 1 34 GLN HB3 1 36 LYS H 4.500 . 5.400 4.278 4.278 4.278 . 0 0 "[ ]" 1
229 1 34 GLN HB3 1 36 LYS HG2 6.500 . 7.800 7.217 7.217 7.217 . 0 0 "[ ]" 1
230 1 34 GLN HB3 1 36 LYS HG3 6.500 . 7.800 5.860 5.860 5.860 . 0 0 "[ ]" 1
231 1 34 GLN HG2 1 35 MET H 3.500 . 4.200 3.855 3.855 3.855 . 0 0 "[ ]" 1
232 1 34 GLN HG2 1 36 LYS H 4.500 . 5.400 2.869 2.869 2.869 . 0 0 "[ ]" 1
233 1 34 GLN HG2 1 37 ASP H 4.500 . 5.400 1.936 1.936 1.936 . 0 0 "[ ]" 1
234 1 34 GLN HG3 1 35 MET H 3.500 . 4.200 3.437 3.437 3.437 . 0 0 "[ ]" 1
235 1 34 GLN HG3 1 36 LYS H 4.500 . 5.400 2.072 2.072 2.072 . 0 0 "[ ]" 1
236 1 34 GLN HG3 1 37 ASP H 4.500 . 5.400 2.662 2.662 2.662 . 0 0 "[ ]" 1
237 1 35 MET H 1 35 MET HG2 3.500 . 4.200 3.131 3.131 3.131 . 0 0 "[ ]" 1
238 1 35 MET H 1 35 MET HG3 3.500 . 4.200 2.462 2.462 2.462 . 0 0 "[ ]" 1
239 1 35 MET H 1 36 LYS H 3.500 . 4.200 2.647 2.647 2.647 . 0 0 "[ ]" 1
240 1 35 MET H 1 37 ASP H 4.500 . 5.400 4.359 4.359 4.359 . 0 0 "[ ]" 1
241 1 35 MET HA 1 38 CYS HB2 3.500 . 4.200 4.207 4.207 4.207 0.007 1 0 "[ ]" 1
242 1 35 MET HA 1 38 CYS HB3 3.500 . 4.200 2.873 2.873 2.873 . 0 0 "[ ]" 1
243 1 35 MET HB2 1 36 LYS H 5.000 . 6.000 4.128 4.128 4.128 . 0 0 "[ ]" 1
244 1 35 MET HB3 1 36 LYS H 3.500 . 4.200 3.932 3.932 3.932 . 0 0 "[ ]" 1
245 1 35 MET HG2 1 36 LYS H 4.500 . 5.400 3.739 3.739 3.739 . 0 0 "[ ]" 1
246 1 35 MET HG2 1 36 LYS HA 4.500 . 5.400 5.131 5.131 5.131 . 0 0 "[ ]" 1
247 1 35 MET HG3 1 36 LYS H 4.500 . 5.400 2.005 2.005 2.005 . 0 0 "[ ]" 1
248 1 35 MET HG3 1 36 LYS HA 4.500 . 5.400 3.671 3.671 3.671 . 0 0 "[ ]" 1
249 1 36 LYS H 1 36 LYS HG2 3.500 . 4.200 3.744 3.744 3.744 . 0 0 "[ ]" 1
250 1 36 LYS H 1 36 LYS HG3 3.500 . 4.200 2.338 2.338 2.338 . 0 0 "[ ]" 1
251 1 36 LYS H 1 37 ASP H 3.500 . 4.200 2.491 2.491 2.491 . 0 0 "[ ]" 1
252 1 36 LYS H 1 38 CYS H 4.500 . 5.400 4.142 4.142 4.142 . 0 0 "[ ]" 1
253 1 36 LYS HA 1 37 ASP H 3.500 . 4.200 3.564 3.564 3.564 . 0 0 "[ ]" 1
254 1 36 LYS HA 1 38 CYS H 4.500 . 5.400 4.947 4.947 4.947 . 0 0 "[ ]" 1
255 1 36 LYS HB2 1 37 ASP H 4.500 . 5.400 2.577 2.577 2.577 . 0 0 "[ ]" 1
256 1 36 LYS HB3 1 37 ASP H 4.500 . 5.400 3.587 3.587 3.587 . 0 0 "[ ]" 1
257 1 36 LYS HG2 1 37 ASP H 4.500 . 5.400 5.086 5.086 5.086 . 0 0 "[ ]" 1
258 1 36 LYS HG3 1 37 ASP H 4.500 . 5.400 4.343 4.343 4.343 . 0 0 "[ ]" 1
259 1 37 ASP H 1 38 CYS H 3.500 . 4.200 2.597 2.597 2.597 . 0 0 "[ ]" 1
260 1 37 ASP HB2 1 38 CYS H 4.500 . 5.400 2.333 2.333 2.333 . 0 0 "[ ]" 1
261 1 37 ASP HB3 1 38 CYS H 4.500 . 5.400 3.400 3.400 3.400 . 0 0 "[ ]" 1
262 1 38 CYS H 1 39 THR H 4.500 . 5.400 4.600 4.600 4.600 . 0 0 "[ ]" 1
263 1 38 CYS HA 1 39 THR H 2.500 . 3.000 2.219 2.219 2.219 . 0 0 "[ ]" 1
264 1 38 CYS HA 1 39 THR MG 6.500 . 7.800 5.461 5.461 5.461 . 0 0 "[ ]" 1
265 1 38 CYS HA 1 40 GLU H 4.500 . 5.400 4.433 4.433 4.433 . 0 0 "[ ]" 1
266 1 38 CYS HB2 1 39 THR H 4.500 . 5.400 4.347 4.347 4.347 . 0 0 "[ ]" 1
267 1 38 CYS HB3 1 39 THR H 4.500 . 5.400 4.217 4.217 4.217 . 0 0 "[ ]" 1
268 1 38 CYS SG 3 1 ZN ZN 2.300 . 2.760 2.605 2.605 2.605 . 0 0 "[ ]" 1
269 1 39 THR H 1 39 THR MG 4.500 . 5.400 3.686 3.686 3.686 . 0 0 "[ ]" 1
270 1 39 THR H 1 40 GLU H 3.500 . 4.200 2.626 2.626 2.626 . 0 0 "[ ]" 1
271 1 39 THR HA 1 39 THR MG 3.500 . 4.200 2.386 2.386 2.386 . 0 0 "[ ]" 1
272 1 39 THR HA 1 40 GLU H 3.500 . 4.200 3.587 3.587 3.587 . 0 0 "[ ]" 1
273 1 39 THR HB 1 40 GLU H 4.500 . 5.400 2.196 2.196 2.196 . 0 0 "[ ]" 1
274 1 39 THR MG 1 40 GLU H 5.000 . 6.000 2.857 2.857 2.857 . 0 0 "[ ]" 1
275 1 40 GLU H 1 40 GLU HB2 3.500 . 4.200 2.909 2.909 2.909 . 0 0 "[ ]" 1
276 1 40 GLU H 1 40 GLU HB3 3.500 . 4.200 3.694 3.694 3.694 . 0 0 "[ ]" 1
277 1 40 GLU H 1 40 GLU HG2 4.500 . 5.400 4.882 4.882 4.882 . 0 0 "[ ]" 1
278 1 40 GLU H 1 40 GLU HG3 4.500 . 5.400 4.150 4.150 4.150 . 0 0 "[ ]" 1
279 1 40 GLU H 1 41 ARG H 2.500 . 3.000 3.007 3.007 3.007 0.007 1 0 "[ ]" 1
280 1 40 GLU HB2 1 41 ARG H 4.500 . 5.400 4.634 4.634 4.634 . 0 0 "[ ]" 1
281 1 40 GLU HB3 1 41 ARG H 4.500 . 5.400 4.317 4.317 4.317 . 0 0 "[ ]" 1
282 1 40 GLU HG2 1 41 ARG H 4.500 . 5.400 4.774 4.774 4.774 . 0 0 "[ ]" 1
283 1 40 GLU HG3 1 41 ARG H 4.500 . 5.400 4.716 4.716 4.716 . 0 0 "[ ]" 1
284 1 41 ARG H 1 41 ARG HB2 3.500 . 4.200 3.237 3.237 3.237 . 0 0 "[ ]" 1
285 1 41 ARG H 1 41 ARG HB3 3.500 . 4.200 2.027 2.027 2.027 . 0 0 "[ ]" 1
286 1 41 ARG H 1 41 ARG HG2 3.500 . 4.200 3.573 3.573 3.573 . 0 0 "[ ]" 1
287 1 41 ARG H 1 41 ARG HG3 3.500 . 4.200 4.229 4.229 4.229 0.029 1 0 "[ ]" 1
288 1 41 ARG HA 1 42 GLN H 3.500 . 4.200 3.566 3.566 3.566 . 0 0 "[ ]" 1
289 1 42 GLN H 1 42 GLN HB2 3.500 . 4.200 3.493 3.493 3.493 . 0 0 "[ ]" 1
290 1 42 GLN H 1 42 GLN HB3 3.500 . 4.200 4.012 4.012 4.012 . 0 0 "[ ]" 1
291 1 42 GLN H 1 42 GLN HG2 3.500 . 4.200 3.918 3.918 3.918 . 0 0 "[ ]" 1
292 1 42 GLN H 1 42 GLN HG3 3.500 . 4.200 2.321 2.321 2.321 . 0 0 "[ ]" 1
293 1 42 GLN HA 1 42 GLN HG2 3.500 . 4.200 3.067 3.067 3.067 . 0 0 "[ ]" 1
294 1 42 GLN HA 1 42 GLN HG3 3.500 . 4.200 2.527 2.527 2.527 . 0 0 "[ ]" 1
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