NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
623791 |
5n5a   |
34098 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5n5a
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 182
_Distance_constraint_stats_list.Viol_count 596
_Distance_constraint_stats_list.Viol_total 655.680
_Distance_constraint_stats_list.Viol_max 0.268
_Distance_constraint_stats_list.Viol_rms 0.0273
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0090
_Distance_constraint_stats_list.Viol_average_violations_only 0.0550
_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 0.623 0.091 9 0 "[ . 1 . 2]"
1 2 ASN 1.226 0.149 11 0 "[ . 1 . 2]"
1 3 VAL 0.880 0.091 9 0 "[ . 1 . 2]"
1 4 LYS 1.226 0.149 11 0 "[ . 1 . 2]"
1 5 SER 0.352 0.077 15 0 "[ . 1 . 2]"
1 6 LYS 1.023 0.110 5 0 "[ . 1 . 2]"
1 7 ILE 2.473 0.212 20 0 "[ . 1 . 2]"
1 8 GLY 1.725 0.097 19 0 "[ . 1 . 2]"
1 9 SER 3.634 0.212 20 0 "[ . 1 . 2]"
1 10 THR 0.717 0.123 9 0 "[ . 1 . 2]"
1 11 GLU 5.133 0.268 11 0 "[ . 1 . 2]"
1 12 ASN 1.785 0.158 3 0 "[ . 1 . 2]"
1 13 LEU 4.952 0.173 3 0 "[ . 1 . 2]"
1 14 LYS 1.347 0.202 11 0 "[ . 1 . 2]"
1 15 HIS 9.746 0.268 11 0 "[ . 1 . 2]"
1 16 GLN 1.593 0.202 11 0 "[ . 1 . 2]"
1 17 PRO 2.202 0.217 11 0 "[ . 1 . 2]"
1 18 GLY 0.283 0.062 1 0 "[ . 1 . 2]"
1 19 GLY 0.110 0.058 13 0 "[ . 1 . 2]"
1 20 GLY 1.769 0.142 18 0 "[ . 1 . 2]"
1 21 LYS 1.298 0.182 4 0 "[ . 1 . 2]"
1 22 VAL 0.142 0.086 17 0 "[ . 1 . 2]"
1 23 GLN 5.739 0.202 13 0 "[ . 1 . 2]"
1 24 ILE 1.354 0.086 17 0 "[ . 1 . 2]"
1 25 ILE 1.145 0.102 14 0 "[ . 1 . 2]"
1 26 ASN 4.141 0.202 13 0 "[ . 1 . 2]"
1 27 LYS 0.320 0.043 19 0 "[ . 1 . 2]"
1 28 LYS 1.688 0.102 14 0 "[ . 1 . 2]"
1 29 LEU 1.080 0.181 9 0 "[ . 1 . 2]"
1 30 ASP 1.316 0.090 9 0 "[ . 1 . 2]"
1 31 LEU 1.343 0.102 16 0 "[ . 1 . 2]"
1 32 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 ASN 1.979 0.146 8 0 "[ . 1 . 2]"
1 34 VAL 0.669 0.067 20 0 "[ . 1 . 2]"
1 35 GLN 0.555 0.146 8 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 3 VAL H 6.000 . 6.000 3.666 2.308 4.719 . 0 0 "[ . 1 . 2]" 1
2 1 1 LYS QB 1 3 VAL H 6.000 . 6.000 2.502 1.817 3.527 . 0 0 "[ . 1 . 2]" 1
3 1 1 LYS QB 1 3 VAL HA 6.000 . 6.000 4.742 4.024 5.844 . 0 0 "[ . 1 . 2]" 1
4 1 1 LYS HB2 1 3 VAL H 6.000 . 6.000 3.881 2.496 4.599 . 0 0 "[ . 1 . 2]" 1
5 1 1 LYS HB3 1 3 VAL H 6.000 . 6.000 2.564 1.823 3.691 . 0 0 "[ . 1 . 2]" 1
6 1 1 LYS QD 1 3 VAL H 6.000 . 6.000 3.215 1.874 4.482 . 0 0 "[ . 1 . 2]" 1
7 1 1 LYS QD 1 3 VAL HA 6.000 . 6.000 4.989 3.983 6.036 0.036 10 0 "[ . 1 . 2]" 1
8 1 1 LYS QE 1 3 VAL H 6.000 . 6.000 4.308 3.256 5.185 . 0 0 "[ . 1 . 2]" 1
9 1 1 LYS QE 1 3 VAL HA 6.000 . 6.000 5.718 4.138 6.091 0.091 9 0 "[ . 1 . 2]" 1
10 1 2 ASN H 1 4 LYS H 6.000 . 6.000 5.342 4.306 6.149 0.149 11 0 "[ . 1 . 2]" 1
11 1 2 ASN QB 1 4 LYS QD 6.000 . 6.000 5.575 3.602 6.065 0.065 7 0 "[ . 1 . 2]" 1
12 1 3 VAL HA 1 6 LYS QB 6.000 . 6.000 5.313 3.156 6.068 0.068 12 0 "[ . 1 . 2]" 1
13 1 5 SER HA 1 8 GLY H 6.000 . 6.000 4.944 3.518 6.052 0.052 13 0 "[ . 1 . 2]" 1
14 1 5 SER QB 1 7 ILE H 6.000 . 6.000 4.518 2.257 5.814 . 0 0 "[ . 1 . 2]" 1
15 1 5 SER QB 1 8 GLY H 6.000 . 6.000 4.569 2.981 5.224 . 0 0 "[ . 1 . 2]" 1
16 1 5 SER HB2 1 8 GLY H 6.000 . 6.000 5.479 4.310 6.077 0.077 15 0 "[ . 1 . 2]" 1
17 1 5 SER HB3 1 8 GLY H 6.000 . 6.000 5.062 3.039 6.066 0.066 4 0 "[ . 1 . 2]" 1
18 1 6 LYS HA 1 8 GLY H 6.000 . 6.000 3.921 2.866 4.845 . 0 0 "[ . 1 . 2]" 1
19 1 6 LYS QB 1 9 SER H 6.000 . 6.000 4.126 3.061 5.747 . 0 0 "[ . 1 . 2]" 1
20 1 6 LYS QB 1 9 SER QB 6.000 . 6.000 4.435 2.667 6.045 0.045 3 0 "[ . 1 . 2]" 1
21 1 6 LYS QE 1 9 SER H 6.000 . 6.000 5.423 3.742 6.110 0.110 5 0 "[ . 1 . 2]" 1
22 1 6 LYS QG 1 8 GLY QA 6.000 . 6.000 4.954 3.089 6.056 0.056 13 0 "[ . 1 . 2]" 1
23 1 6 LYS QG 1 9 SER QB 6.000 . 6.000 4.104 2.249 5.806 . 0 0 "[ . 1 . 2]" 1
24 1 6 LYS HG2 1 9 SER H 6.000 . 6.000 5.144 3.089 6.091 0.091 10 0 "[ . 1 . 2]" 1
25 1 6 LYS HG3 1 9 SER H 6.000 . 6.000 4.788 3.093 6.082 0.082 1 0 "[ . 1 . 2]" 1
26 1 7 ILE H 1 9 SER HA 6.000 . 6.000 5.978 5.364 6.212 0.212 20 0 "[ . 1 . 2]" 1
27 1 7 ILE HA 1 9 SER H 6.000 . 6.000 3.439 2.790 4.015 . 0 0 "[ . 1 . 2]" 1
28 1 7 ILE HA 1 10 THR HB 6.000 . 6.000 4.155 2.561 6.064 0.064 18 0 "[ . 1 . 2]" 1
29 1 7 ILE HA 1 11 GLU QG 6.000 . 6.000 5.136 3.818 6.060 0.060 16 0 "[ . 1 . 2]" 1
30 1 7 ILE MD 1 9 SER QB 6.000 . 6.000 5.779 4.130 6.150 0.150 19 0 "[ . 1 . 2]" 1
31 1 7 ILE MG 1 9 SER QB 6.000 . 6.000 5.064 4.228 6.045 0.045 8 0 "[ . 1 . 2]" 1
32 1 8 GLY H 1 11 GLU HG2 6.000 . 6.000 5.965 4.712 6.097 0.097 19 0 "[ . 1 . 2]" 1
33 1 8 GLY H 1 11 GLU HG3 6.000 . 6.000 4.655 4.341 6.031 0.031 6 0 "[ . 1 . 2]" 1
34 1 8 GLY QA 1 10 THR MG 6.000 . 6.000 5.072 3.491 6.068 0.068 13 0 "[ . 1 . 2]" 1
35 1 8 GLY QA 1 11 GLU HB2 6.000 . 6.000 3.302 2.129 4.677 . 0 0 "[ . 1 . 2]" 1
36 1 8 GLY QA 1 11 GLU QB 6.000 . 6.000 3.159 2.111 4.491 . 0 0 "[ . 1 . 2]" 1
37 1 8 GLY QA 1 11 GLU HB3 6.000 . 6.000 4.284 3.495 5.801 . 0 0 "[ . 1 . 2]" 1
38 1 8 GLY QA 1 11 GLU HG2 6.000 . 6.000 3.530 2.140 4.678 . 0 0 "[ . 1 . 2]" 1
39 1 8 GLY QA 1 11 GLU HG3 6.000 . 6.000 2.340 1.929 3.342 . 0 0 "[ . 1 . 2]" 1
40 1 8 GLY QA 1 12 ASN H 6.000 . 6.000 4.595 3.323 5.518 . 0 0 "[ . 1 . 2]" 1
41 1 8 GLY QA 1 12 ASN HD21 6.000 . 6.000 5.283 3.912 6.023 0.023 5 0 "[ . 1 . 2]" 1
42 1 8 GLY QA 1 12 ASN HD22 6.000 . 6.000 5.191 4.022 6.043 0.043 16 0 "[ . 1 . 2]" 1
43 1 9 SER H 1 12 ASN HD21 6.000 . 6.000 5.277 4.083 5.692 . 0 0 "[ . 1 . 2]" 1
44 1 9 SER H 1 12 ASN HD22 6.000 . 6.000 4.798 3.400 5.916 . 0 0 "[ . 1 . 2]" 1
45 1 9 SER HA 1 12 ASN H 6.000 . 6.000 3.676 2.954 4.407 . 0 0 "[ . 1 . 2]" 1
46 1 9 SER HA 1 12 ASN HD21 6.000 . 6.000 3.018 2.327 3.722 . 0 0 "[ . 1 . 2]" 1
47 1 9 SER HA 1 12 ASN HD22 6.000 . 6.000 2.425 1.770 3.261 0.030 20 0 "[ . 1 . 2]" 1
48 1 9 SER HA 1 13 LEU H 6.000 . 6.000 5.914 5.178 6.080 0.080 8 0 "[ . 1 . 2]" 1
49 1 9 SER QB 1 11 GLU QB 6.000 . 6.000 5.743 5.545 6.120 0.120 6 0 "[ . 1 . 2]" 1
50 1 9 SER QB 1 11 GLU QG 6.000 . 6.000 5.495 4.551 5.962 . 0 0 "[ . 1 . 2]" 1
51 1 9 SER QB 1 12 ASN H 6.000 . 6.000 5.040 4.408 5.948 . 0 0 "[ . 1 . 2]" 1
52 1 9 SER HB2 1 12 ASN HD21 6.000 . 6.000 5.302 4.066 6.005 0.005 7 0 "[ . 1 . 2]" 1
53 1 9 SER HB2 1 12 ASN HD22 6.000 . 6.000 4.531 2.622 6.010 0.010 2 0 "[ . 1 . 2]" 1
54 1 9 SER HB3 1 12 ASN HD21 6.000 . 6.000 5.284 3.293 6.049 0.049 13 0 "[ . 1 . 2]" 1
55 1 9 SER HB3 1 12 ASN HD22 6.000 . 6.000 4.766 2.619 5.977 . 0 0 "[ . 1 . 2]" 1
56 1 10 THR MG 1 12 ASN H 6.000 . 6.000 4.751 3.932 5.689 . 0 0 "[ . 1 . 2]" 1
57 1 10 THR MG 1 13 LEU H 6.000 . 6.000 4.569 3.567 6.026 0.026 12 0 "[ . 1 . 2]" 1
58 1 10 THR MG 1 14 LYS QD 6.000 . 6.000 4.636 1.940 6.123 0.123 9 0 "[ . 1 . 2]" 1
59 1 11 GLU HA 1 15 HIS HE1 6.000 . 6.000 5.670 4.167 6.224 0.224 12 0 "[ . 1 . 2]" 1
60 1 11 GLU QB 1 13 LEU H 6.000 . 6.000 3.905 1.773 4.911 0.027 20 0 "[ . 1 . 2]" 1
61 1 11 GLU HB2 1 15 HIS HE1 6.000 . 6.000 5.822 4.140 6.223 0.223 14 0 "[ . 1 . 2]" 1
62 1 11 GLU HB3 1 15 HIS HE1 6.000 . 6.000 5.380 3.136 6.268 0.268 11 0 "[ . 1 . 2]" 1
63 1 11 GLU QG 1 13 LEU QD 6.000 . 6.000 5.494 4.175 6.123 0.123 15 0 "[ . 1 . 2]" 1
64 1 11 GLU HG2 1 13 LEU H 6.000 . 6.000 5.559 4.377 6.057 0.057 1 0 "[ . 1 . 2]" 1
65 1 11 GLU HG3 1 13 LEU H 6.000 . 6.000 5.530 4.300 6.173 0.173 3 0 "[ . 1 . 2]" 1
66 1 12 ASN HB2 1 15 HIS H 6.000 . 6.000 5.634 4.673 6.076 0.076 6 0 "[ . 1 . 2]" 1
67 1 12 ASN HB3 1 15 HIS H 6.000 . 6.000 5.694 3.977 6.158 0.158 3 0 "[ . 1 . 2]" 1
68 1 13 LEU H 1 15 HIS HD2 6.000 . 6.000 5.357 3.298 6.090 0.090 4 0 "[ . 1 . 2]" 1
69 1 13 LEU HA 1 15 HIS HD2 6.000 . 6.000 4.379 3.086 6.060 0.060 2 0 "[ . 1 . 2]" 1
70 1 13 LEU QD 1 15 HIS QB 6.000 . 6.000 5.113 2.380 6.084 0.084 1 0 "[ . 1 . 2]" 1
71 1 13 LEU QD 1 15 HIS HE1 6.000 . 6.000 4.244 2.423 5.444 . 0 0 "[ . 1 . 2]" 1
72 1 13 LEU QD 1 16 GLN QG 6.000 . 6.000 4.080 3.112 5.361 . 0 0 "[ . 1 . 2]" 1
73 1 13 LEU MD1 1 15 HIS HD2 6.000 . 6.000 5.335 3.320 6.146 0.146 17 0 "[ . 1 . 2]" 1
74 1 13 LEU MD1 1 15 HIS HE1 6.000 . 6.000 5.063 2.530 6.144 0.144 19 0 "[ . 1 . 2]" 1
75 1 13 LEU MD1 1 16 GLN QG 6.000 . 6.000 5.372 3.255 6.075 0.075 17 0 "[ . 1 . 2]" 1
76 1 13 LEU MD2 1 15 HIS HD2 6.000 . 6.000 5.027 1.907 6.147 0.147 9 0 "[ . 1 . 2]" 1
77 1 13 LEU MD2 1 15 HIS HE1 6.000 . 6.000 4.894 2.582 6.114 0.114 13 0 "[ . 1 . 2]" 1
78 1 13 LEU MD2 1 16 GLN QG 6.000 . 6.000 4.619 3.130 6.064 0.064 13 0 "[ . 1 . 2]" 1
79 1 14 LYS H 1 16 GLN QE 6.000 . 6.000 5.068 3.658 5.777 . 0 0 "[ . 1 . 2]" 1
80 1 14 LYS QB 1 16 GLN QE 6.000 . 6.000 3.492 2.465 4.600 . 0 0 "[ . 1 . 2]" 1
81 1 14 LYS QB 1 16 GLN QG 6.000 . 6.000 4.595 3.436 5.425 . 0 0 "[ . 1 . 2]" 1
82 1 14 LYS HB2 1 16 GLN HE21 6.000 . 6.000 4.620 2.636 5.718 . 0 0 "[ . 1 . 2]" 1
83 1 14 LYS HB2 1 16 GLN HE22 6.000 . 6.000 5.328 3.692 6.049 0.049 9 0 "[ . 1 . 2]" 1
84 1 14 LYS HB2 1 16 GLN QG 6.000 . 6.000 5.381 3.538 6.202 0.202 11 0 "[ . 1 . 2]" 1
85 1 14 LYS HB3 1 16 GLN HE21 6.000 . 6.000 4.121 3.176 5.803 . 0 0 "[ . 1 . 2]" 1
86 1 14 LYS HB3 1 16 GLN HE22 6.000 . 6.000 4.802 3.368 6.163 0.163 11 0 "[ . 1 . 2]" 1
87 1 14 LYS HB3 1 16 GLN QG 6.000 . 6.000 5.102 4.312 6.102 0.102 19 0 "[ . 1 . 2]" 1
88 1 14 LYS QE 1 16 GLN QE 6.000 . 6.000 5.288 1.906 6.042 0.042 19 0 "[ . 1 . 2]" 1
89 1 14 LYS QG 1 16 GLN QE 6.000 . 6.000 3.919 1.909 5.940 . 0 0 "[ . 1 . 2]" 1
90 1 15 HIS H 1 17 PRO QB 6.000 . 6.000 5.854 4.482 6.122 0.122 8 0 "[ . 1 . 2]" 1
91 1 15 HIS HD2 1 17 PRO HA 6.000 . 6.000 4.170 2.920 6.113 0.113 16 0 "[ . 1 . 2]" 1
92 1 15 HIS HD2 1 17 PRO HD2 6.000 . 6.000 4.367 2.248 6.031 0.031 17 0 "[ . 1 . 2]" 1
93 1 15 HIS HD2 1 17 PRO HD3 6.000 . 6.000 3.555 2.271 5.234 . 0 0 "[ . 1 . 2]" 1
94 1 15 HIS HD2 1 17 PRO HG2 6.000 . 6.000 4.705 2.697 6.211 0.211 19 0 "[ . 1 . 2]" 1
95 1 15 HIS HD2 1 17 PRO HG3 6.000 . 6.000 4.047 2.244 5.549 . 0 0 "[ . 1 . 2]" 1
96 1 15 HIS HE1 1 17 PRO HA 6.000 . 6.000 5.991 4.833 6.217 0.217 11 0 "[ . 1 . 2]" 1
97 1 16 GLN HA 1 18 GLY H 6.000 . 6.000 4.241 2.945 6.062 0.062 1 0 "[ . 1 . 2]" 1
98 1 16 GLN QB 1 18 GLY H 6.000 . 6.000 4.555 3.559 5.750 . 0 0 "[ . 1 . 2]" 1
99 1 16 GLN QG 1 19 GLY QA 6.000 . 6.000 5.565 4.349 6.058 0.058 13 0 "[ . 1 . 2]" 1
100 1 20 GLY QA 1 22 VAL H 6.000 . 6.000 3.911 2.324 5.815 . 0 0 "[ . 1 . 2]" 1
101 1 20 GLY QA 1 22 VAL QG 6.000 . 6.000 5.059 4.063 5.963 . 0 0 "[ . 1 . 2]" 1
102 1 20 GLY QA 1 23 GLN QB 6.000 . 6.000 5.596 4.509 6.048 0.048 8 0 "[ . 1 . 2]" 1
103 1 20 GLY QA 1 23 GLN QE 6.000 . 6.000 5.681 2.772 6.125 0.125 11 0 "[ . 1 . 2]" 1
104 1 20 GLY QA 1 23 GLN QG 6.000 . 6.000 5.053 3.652 6.031 0.031 1 0 "[ . 1 . 2]" 1
105 1 20 GLY QA 1 24 ILE QG 6.000 . 6.000 5.152 3.270 6.050 0.050 2 0 "[ . 1 . 2]" 1
106 1 20 GLY HA2 1 23 GLN H 6.000 . 6.000 5.472 4.361 6.080 0.080 13 0 "[ . 1 . 2]" 1
107 1 20 GLY HA3 1 23 GLN H 6.000 . 6.000 5.071 3.678 6.142 0.142 18 0 "[ . 1 . 2]" 1
108 1 21 LYS H 1 23 GLN HG2 6.000 . 6.000 4.885 3.325 6.115 0.115 17 0 "[ . 1 . 2]" 1
109 1 21 LYS H 1 23 GLN QG 6.000 . 6.000 4.309 3.279 5.114 . 0 0 "[ . 1 . 2]" 1
110 1 21 LYS H 1 23 GLN HG3 6.000 . 6.000 5.330 4.273 6.070 0.070 4 0 "[ . 1 . 2]" 1
111 1 21 LYS QB 1 23 GLN H 6.000 . 6.000 2.617 2.111 3.257 . 0 0 "[ . 1 . 2]" 1
112 1 21 LYS QB 1 24 ILE HA 6.000 . 6.000 5.876 5.268 6.073 0.073 15 0 "[ . 1 . 2]" 1
113 1 21 LYS QD 1 23 GLN H 6.000 . 6.000 4.623 3.650 5.611 . 0 0 "[ . 1 . 2]" 1
114 1 21 LYS QD 1 23 GLN QE 6.000 . 6.000 3.673 1.854 5.458 . 0 0 "[ . 1 . 2]" 1
115 1 21 LYS QE 1 23 GLN H 6.000 . 6.000 5.180 4.141 6.182 0.182 4 0 "[ . 1 . 2]" 1
116 1 21 LYS QE 1 23 GLN QE 6.000 . 6.000 4.408 1.790 6.069 0.069 2 0 "[ . 1 . 2]" 1
117 1 21 LYS QG 1 23 GLN H 6.000 . 6.000 4.120 2.946 4.671 . 0 0 "[ . 1 . 2]" 1
118 1 21 LYS QG 1 23 GLN QE 6.000 . 6.000 4.069 2.442 5.167 . 0 0 "[ . 1 . 2]" 1
119 1 22 VAL HA 1 24 ILE QG 6.000 . 6.000 4.106 2.388 6.086 0.086 17 0 "[ . 1 . 2]" 1
120 1 23 GLN H 1 26 ASN HA 6.000 . 6.000 6.039 5.497 6.202 0.202 13 0 "[ . 1 . 2]" 1
121 1 23 GLN H 1 26 ASN HB2 6.000 . 6.000 5.475 3.537 6.066 0.066 11 0 "[ . 1 . 2]" 1
122 1 23 GLN H 1 26 ASN HB3 6.000 . 6.000 4.537 3.546 6.145 0.145 1 0 "[ . 1 . 2]" 1
123 1 23 GLN H 1 26 ASN QD 6.000 . 6.000 4.864 1.955 6.017 0.017 9 0 "[ . 1 . 2]" 1
124 1 23 GLN HA 1 26 ASN H 6.000 . 6.000 3.629 2.378 4.530 . 0 0 "[ . 1 . 2]" 1
125 1 23 GLN HA 1 26 ASN HB2 6.000 . 6.000 5.357 3.402 6.051 0.051 19 0 "[ . 1 . 2]" 1
126 1 23 GLN HA 1 26 ASN HB3 6.000 . 6.000 4.451 1.939 6.186 0.186 2 0 "[ . 1 . 2]" 1
127 1 23 GLN HA 1 26 ASN QD 6.000 . 6.000 5.146 2.467 6.085 0.085 5 0 "[ . 1 . 2]" 1
128 1 23 GLN QB 1 25 ILE H 6.000 . 6.000 3.899 3.041 4.853 . 0 0 "[ . 1 . 2]" 1
129 1 23 GLN QB 1 26 ASN H 6.000 . 6.000 2.998 2.110 3.766 . 0 0 "[ . 1 . 2]" 1
130 1 23 GLN QB 1 26 ASN QB 6.000 . 6.000 2.444 1.792 3.625 0.008 13 0 "[ . 1 . 2]" 1
131 1 23 GLN QB 1 26 ASN QD 6.000 . 6.000 3.615 1.709 5.358 0.091 17 0 "[ . 1 . 2]" 1
132 1 23 GLN HB2 1 26 ASN H 6.000 . 6.000 3.284 2.263 4.058 . 0 0 "[ . 1 . 2]" 1
133 1 23 GLN HB3 1 26 ASN H 6.000 . 6.000 3.805 2.523 4.804 . 0 0 "[ . 1 . 2]" 1
134 1 23 GLN QG 1 26 ASN QD 6.000 . 6.000 4.344 2.955 5.819 . 0 0 "[ . 1 . 2]" 1
135 1 23 GLN HG2 1 26 ASN H 6.000 . 6.000 5.208 4.161 6.052 0.052 17 0 "[ . 1 . 2]" 1
136 1 23 GLN HG3 1 26 ASN H 6.000 . 6.000 4.790 2.524 5.958 . 0 0 "[ . 1 . 2]" 1
137 1 24 ILE HA 1 28 LYS H 6.000 . 6.000 5.639 4.865 6.064 0.064 20 0 "[ . 1 . 2]" 1
138 1 24 ILE MD 1 27 LYS QB 6.000 . 6.000 5.830 4.777 6.043 0.043 19 0 "[ . 1 . 2]" 1
139 1 24 ILE MG 1 27 LYS QB 6.000 . 6.000 4.936 3.368 6.027 0.027 11 0 "[ . 1 . 2]" 1
140 1 25 ILE HA 1 28 LYS QD 6.000 . 6.000 5.260 3.551 6.102 0.102 14 0 "[ . 1 . 2]" 1
141 1 25 ILE HA 1 28 LYS QG 6.000 . 6.000 4.663 3.921 6.021 0.021 9 0 "[ . 1 . 2]" 1
142 1 25 ILE HA 1 29 LEU H 6.000 . 6.000 3.666 1.775 4.773 0.025 2 0 "[ . 1 . 2]" 1
143 1 25 ILE HA 1 29 LEU QB 6.000 . 6.000 4.458 2.892 6.071 0.071 10 0 "[ . 1 . 2]" 1
144 1 25 ILE MD 1 28 LYS HA 6.000 . 6.000 5.036 3.936 6.099 0.099 12 0 "[ . 1 . 2]" 1
145 1 25 ILE QG 1 28 LYS H 6.000 . 6.000 4.029 3.469 4.926 . 0 0 "[ . 1 . 2]" 1
146 1 25 ILE QG 1 29 LEU H 6.000 . 6.000 4.736 3.440 6.026 0.026 9 0 "[ . 1 . 2]" 1
147 1 25 ILE MG 1 28 LYS HA 6.000 . 6.000 4.555 2.327 6.026 0.026 11 0 "[ . 1 . 2]" 1
148 1 26 ASN H 1 29 LEU QB 6.000 . 6.000 5.189 4.782 6.032 0.032 10 0 "[ . 1 . 2]" 1
149 1 26 ASN HA 1 28 LYS H 6.000 . 6.000 3.882 3.421 4.393 . 0 0 "[ . 1 . 2]" 1
150 1 26 ASN HA 1 29 LEU H 6.000 . 6.000 4.976 3.168 6.073 0.073 14 0 "[ . 1 . 2]" 1
151 1 26 ASN QB 1 28 LYS H 6.000 . 6.000 4.513 3.870 5.039 . 0 0 "[ . 1 . 2]" 1
152 1 26 ASN QB 1 29 LEU QB 6.000 . 6.000 5.236 3.808 6.089 0.089 3 0 "[ . 1 . 2]" 1
153 1 26 ASN HB2 1 28 LYS H 6.000 . 6.000 5.141 4.042 5.913 . 0 0 "[ . 1 . 2]" 1
154 1 26 ASN HB3 1 28 LYS H 6.000 . 6.000 5.062 4.203 5.660 . 0 0 "[ . 1 . 2]" 1
155 1 26 ASN QD 1 29 LEU QB 6.000 . 6.000 5.542 3.478 6.181 0.181 9 0 "[ . 1 . 2]" 1
156 1 28 LYS HA 1 30 ASP HB2 6.000 . 6.000 4.855 3.921 5.625 . 0 0 "[ . 1 . 2]" 1
157 1 28 LYS HA 1 30 ASP QB 6.000 . 6.000 4.196 3.538 4.589 . 0 0 "[ . 1 . 2]" 1
158 1 28 LYS HA 1 30 ASP HB3 6.000 . 6.000 4.728 3.955 5.989 . 0 0 "[ . 1 . 2]" 1
159 1 28 LYS QB 1 30 ASP QB 6.000 . 6.000 4.751 2.703 5.573 . 0 0 "[ . 1 . 2]" 1
160 1 28 LYS QD 1 30 ASP QB 6.000 . 6.000 5.356 3.803 6.080 0.080 20 0 "[ . 1 . 2]" 1
161 1 28 LYS HG2 1 30 ASP HB2 6.000 . 6.000 5.563 4.641 6.089 0.089 14 0 "[ . 1 . 2]" 1
162 1 28 LYS HG2 1 30 ASP HB3 6.000 . 6.000 4.834 3.958 6.034 0.034 7 0 "[ . 1 . 2]" 1
163 1 28 LYS HG3 1 30 ASP HB2 6.000 . 6.000 5.427 3.418 6.040 0.040 11 0 "[ . 1 . 2]" 1
164 1 28 LYS HG3 1 30 ASP HB3 6.000 . 6.000 4.612 2.830 5.711 . 0 0 "[ . 1 . 2]" 1
165 1 30 ASP HA 1 33 ASN H 6.000 . 6.000 5.635 4.581 6.090 0.090 9 0 "[ . 1 . 2]" 1
166 1 30 ASP HA 1 33 ASN HD21 6.000 . 6.000 5.395 4.223 6.045 0.045 7 0 "[ . 1 . 2]" 1
167 1 30 ASP HA 1 33 ASN HD22 6.000 . 6.000 5.182 3.895 6.009 0.009 6 0 "[ . 1 . 2]" 1
168 1 31 LEU H 1 33 ASN QD 6.000 . 6.000 3.537 2.338 4.230 . 0 0 "[ . 1 . 2]" 1
169 1 31 LEU HA 1 34 VAL H 6.000 . 6.000 5.006 4.502 5.632 . 0 0 "[ . 1 . 2]" 1
170 1 31 LEU HA 1 34 VAL HB 6.000 . 6.000 6.032 6.010 6.067 0.067 20 0 "[ . 1 . 2]" 1
171 1 31 LEU QD 1 33 ASN QD 6.000 . 6.000 3.438 1.904 4.686 . 0 0 "[ . 1 . 2]" 1
172 1 31 LEU MD1 1 33 ASN HD21 6.000 . 6.000 4.983 3.896 6.019 0.019 16 0 "[ . 1 . 2]" 1
173 1 31 LEU MD1 1 33 ASN HD22 6.000 . 6.000 5.622 3.613 6.065 0.065 11 0 "[ . 1 . 2]" 1
174 1 31 LEU MD2 1 33 ASN HD21 6.000 . 6.000 3.915 1.921 5.914 . 0 0 "[ . 1 . 2]" 1
175 1 31 LEU MD2 1 33 ASN HD22 6.000 . 6.000 4.905 3.264 6.102 0.102 16 0 "[ . 1 . 2]" 1
176 1 31 LEU HG 1 33 ASN QD 6.000 . 6.000 3.823 2.851 4.790 . 0 0 "[ . 1 . 2]" 1
177 1 31 LEU HG 1 34 VAL H 6.000 . 6.000 3.525 2.119 6.020 0.020 10 0 "[ . 1 . 2]" 1
178 1 32 SER H 1 34 VAL H 6.000 . 6.000 3.997 2.974 4.985 . 0 0 "[ . 1 . 2]" 1
179 1 32 SER HA 1 34 VAL H 6.000 . 6.000 4.767 4.522 4.966 . 0 0 "[ . 1 . 2]" 1
180 1 32 SER QB 1 34 VAL H 6.000 . 6.000 3.588 3.098 4.118 . 0 0 "[ . 1 . 2]" 1
181 1 33 ASN HA 1 35 GLN H 6.000 . 6.000 4.639 3.132 5.794 . 0 0 "[ . 1 . 2]" 1
182 1 33 ASN QD 1 35 GLN QB 6.000 . 6.000 5.914 4.822 6.146 0.146 8 0 "[ . 1 . 2]" 1
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