NMR Restraints Grid
| |
NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
373034 |
1dng   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1dng
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 220
_Distance_constraint_stats_list.Viol_count 14
_Distance_constraint_stats_list.Viol_total 2.881
_Distance_constraint_stats_list.Viol_max 0.481
_Distance_constraint_stats_list.Viol_rms 0.0675
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0131
_Distance_constraint_stats_list.Viol_average_violations_only 0.2058
_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 GLN 0.000 0.000 . 0 "[ ]"
1 2 ALA 0.025 0.025 1 0 "[ ]"
1 3 PRO 0.694 0.481 1 0 "[ ]"
1 4 ALA 0.084 0.059 1 0 "[ ]"
1 5 TYR 0.441 0.417 1 0 "[ ]"
1 6 GLU 1.500 0.481 1 0 "[ ]"
1 7 GLU 0.949 0.434 1 0 "[ ]"
1 8 ALA 0.434 0.434 1 0 "[ ]"
1 9 ALA 0.000 0.000 . 0 "[ ]"
1 10 GLU 0.203 0.091 1 0 "[ ]"
1 11 GLU 0.454 0.414 1 0 "[ ]"
1 12 LEU 0.732 0.414 1 0 "[ ]"
1 13 ALA 0.248 0.207 1 0 "[ ]"
1 14 LYS 0.000 0.000 . 0 "[ ]"
1 15 SER 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 1 GLN HA 1 2 ALA H 2.800 . 3.100 2.486 2.486 2.486 . 0 0 "[ ]" 1
2 1 1 GLN HA 1 2 ALA HA 5.000 . 5.500 4.546 4.546 4.546 . 0 0 "[ ]" 1
3 1 1 GLN HB2 1 2 ALA H 6.000 . 6.500 3.934 3.934 3.934 . 0 0 "[ ]" 1
4 1 1 GLN HB3 1 2 ALA H 6.000 . 6.400 2.563 2.563 2.563 . 0 0 "[ ]" 1
5 1 1 GLN QG 1 2 ALA H 6.000 . 7.500 3.277 3.277 3.277 . 0 0 "[ ]" 1
6 1 2 ALA H 1 3 PRO HD2 6.000 . 6.500 4.591 4.591 4.591 . 0 0 "[ ]" 1
7 1 2 ALA H 1 3 PRO HD3 6.000 . 6.500 3.430 3.430 3.430 . 0 0 "[ ]" 1
8 1 2 ALA HA 1 3 PRO HB2 6.000 . 6.500 5.590 5.590 5.590 . 0 0 "[ ]" 1
9 1 2 ALA HA 1 3 PRO HB3 6.000 . 6.500 5.177 5.177 5.177 . 0 0 "[ ]" 1
10 1 2 ALA HA 1 3 PRO HD2 6.000 . 6.300 2.343 2.343 2.343 . 0 0 "[ ]" 1
11 1 2 ALA HA 1 3 PRO HD3 6.000 . 6.300 2.398 2.398 2.398 . 0 0 "[ ]" 1
12 1 2 ALA HA 1 3 PRO QG 6.000 . 7.400 4.015 4.015 4.015 . 0 0 "[ ]" 1
13 1 2 ALA HA 1 4 ALA H 5.000 . 5.300 4.757 4.757 4.757 . 0 0 "[ ]" 1
14 1 2 ALA HA 1 5 TYR H 3.900 . 4.300 3.870 3.870 3.870 . 0 0 "[ ]" 1
15 1 2 ALA HA 1 5 TYR QB 6.000 . 7.500 4.151 4.151 4.151 . 0 0 "[ ]" 1
16 1 2 ALA HA 1 5 TYR QD 6.000 . 8.500 1.976 1.976 1.976 . 0 0 "[ ]" 1
17 1 2 ALA HA 1 6 GLU QG 5.000 . 6.500 3.439 3.439 3.439 . 0 0 "[ ]" 1
18 1 2 ALA MB 1 3 PRO HA 6.000 . 7.500 4.403 4.403 4.403 . 0 0 "[ ]" 1
19 1 2 ALA MB 1 3 PRO HB2 6.000 . 7.500 6.024 6.024 6.024 . 0 0 "[ ]" 1
20 1 2 ALA MB 1 3 PRO HB3 6.000 . 7.500 5.612 5.612 5.612 . 0 0 "[ ]" 1
21 1 2 ALA MB 1 3 PRO HD2 6.000 . 7.300 3.890 3.890 3.890 . 0 0 "[ ]" 1
22 1 2 ALA MB 1 3 PRO HD3 6.000 . 7.400 3.916 3.916 3.916 . 0 0 "[ ]" 1
23 1 2 ALA MB 1 3 PRO QG 6.000 . 8.400 4.987 4.987 4.987 . 0 0 "[ ]" 1
24 1 2 ALA MB 1 5 TYR QB 6.000 . 8.400 4.741 4.741 4.741 . 0 0 "[ ]" 1
25 1 2 ALA MB 1 5 TYR QD 6.000 . 9.500 2.908 2.908 2.908 . 0 0 "[ ]" 1
26 1 2 ALA MB 1 5 TYR QE 6.000 . 9.500 2.508 2.508 2.508 . 0 0 "[ ]" 1
27 1 2 ALA MB 1 6 GLU QB 6.000 . 8.500 2.037 2.037 2.037 . 0 0 "[ ]" 1
28 1 2 ALA MB 1 6 GLU QG 6.000 . 8.500 1.775 1.775 1.775 0.025 1 0 "[ ]" 1
29 1 3 PRO HA 1 4 ALA H 2.800 . 3.100 2.456 2.456 2.456 . 0 0 "[ ]" 1
30 1 3 PRO HA 1 5 TYR H 5.000 . 5.500 4.140 4.140 4.140 . 0 0 "[ ]" 1
31 1 3 PRO HA 1 6 GLU H 5.000 . 5.500 5.653 5.653 5.653 0.153 1 0 "[ ]" 1
32 1 3 PRO HB2 1 4 ALA H 6.000 . 6.400 4.279 4.279 4.279 . 0 0 "[ ]" 1
33 1 3 PRO HB2 1 4 ALA HA 6.000 . 6.500 5.749 5.749 5.749 . 0 0 "[ ]" 1
34 1 3 PRO HB2 1 5 TYR QB 6.000 . 7.500 4.178 4.178 4.178 . 0 0 "[ ]" 1
35 1 3 PRO HB2 1 5 TYR QD 6.000 . 8.500 5.163 5.163 5.163 . 0 0 "[ ]" 1
36 1 3 PRO HB2 1 5 TYR QE 6.000 . 8.500 7.039 7.039 7.039 . 0 0 "[ ]" 1
37 1 3 PRO HB2 1 6 GLU H 6.000 . 6.500 6.494 6.494 6.494 . 0 0 "[ ]" 1
38 1 3 PRO HB3 1 4 ALA H 6.000 . 6.400 4.581 4.581 4.581 . 0 0 "[ ]" 1
39 1 3 PRO HB3 1 4 ALA HA 6.000 . 6.500 6.559 6.559 6.559 0.059 1 0 "[ ]" 1
40 1 3 PRO HB3 1 5 TYR QB 6.000 . 7.500 5.141 5.141 5.141 . 0 0 "[ ]" 1
41 1 3 PRO HB3 1 5 TYR QD 6.000 . 8.500 5.420 5.420 5.420 . 0 0 "[ ]" 1
42 1 3 PRO HB3 1 5 TYR QE 6.000 . 8.500 6.946 6.946 6.946 . 0 0 "[ ]" 1
43 1 3 PRO HB3 1 6 GLU H 6.000 . 6.500 6.981 6.981 6.981 0.481 1 0 "[ ]" 1
44 1 3 PRO HD2 1 4 ALA H 6.000 . 6.500 4.606 4.606 4.606 . 0 0 "[ ]" 1
45 1 3 PRO HD2 1 6 GLU QG 6.000 . 7.500 4.672 4.672 4.672 . 0 0 "[ ]" 1
46 1 3 PRO HD3 1 4 ALA H 6.000 . 6.500 5.162 5.162 5.162 . 0 0 "[ ]" 1
47 1 3 PRO HD3 1 6 GLU QG 6.000 . 7.500 5.355 5.355 5.355 . 0 0 "[ ]" 1
48 1 3 PRO QG 1 4 ALA H 6.000 . 7.400 4.784 4.784 4.784 . 0 0 "[ ]" 1
49 1 3 PRO QG 1 4 ALA HA 6.000 . 7.500 6.118 6.118 6.118 . 0 0 "[ ]" 1
50 1 3 PRO QG 1 5 TYR QB 6.000 . 8.500 2.869 2.869 2.869 . 0 0 "[ ]" 1
51 1 3 PRO QG 1 5 TYR QD 6.000 . 9.500 3.701 3.701 3.701 . 0 0 "[ ]" 1
52 1 3 PRO QG 1 5 TYR QE 6.000 . 9.400 5.056 5.056 5.056 . 0 0 "[ ]" 1
53 1 4 ALA H 1 5 TYR H 2.800 . 3.100 2.827 2.827 2.827 . 0 0 "[ ]" 1
54 1 4 ALA H 1 5 TYR QD 6.000 . 8.500 4.406 4.406 4.406 . 0 0 "[ ]" 1
55 1 4 ALA H 1 5 TYR QE 6.000 . 8.500 6.340 6.340 6.340 . 0 0 "[ ]" 1
56 1 4 ALA H 1 6 GLU H 5.000 . 5.500 4.142 4.142 4.142 . 0 0 "[ ]" 1
57 1 4 ALA HA 1 5 TYR H 2.800 . 3.100 3.124 3.124 3.124 0.024 1 0 "[ ]" 1
58 1 4 ALA HA 1 5 TYR QB 6.000 . 7.400 4.904 4.904 4.904 . 0 0 "[ ]" 1
59 1 4 ALA HA 1 5 TYR QD 6.000 . 8.500 5.327 5.327 5.327 . 0 0 "[ ]" 1
60 1 4 ALA HA 1 6 GLU H 5.000 . 5.500 4.176 4.176 4.176 . 0 0 "[ ]" 1
61 1 4 ALA HA 1 7 GLU H 3.900 . 4.300 3.815 3.815 3.815 . 0 0 "[ ]" 1
62 1 4 ALA HA 1 7 GLU QB 3.900 . 5.300 3.984 3.984 3.984 . 0 0 "[ ]" 1
63 1 4 ALA HA 1 7 GLU QG 5.000 . 6.500 2.975 2.975 2.975 . 0 0 "[ ]" 1
64 1 4 ALA HA 1 8 ALA H 5.000 . 5.500 4.956 4.956 4.956 . 0 0 "[ ]" 1
65 1 4 ALA MB 1 5 TYR H 6.000 . 7.300 3.528 3.528 3.528 . 0 0 "[ ]" 1
66 1 4 ALA MB 1 6 GLU H 6.000 . 7.400 4.976 4.976 4.976 . 0 0 "[ ]" 1
67 1 4 ALA MB 1 7 GLU H 6.000 . 7.500 4.986 4.986 4.986 . 0 0 "[ ]" 1
68 1 5 TYR H 1 6 GLU H 2.800 . 3.100 2.046 2.046 2.046 . 0 0 "[ ]" 1
69 1 5 TYR H 1 6 GLU QB 5.000 . 6.500 4.331 4.331 4.331 . 0 0 "[ ]" 1
70 1 5 TYR H 1 6 GLU QG 5.000 . 6.500 3.127 3.127 3.127 . 0 0 "[ ]" 1
71 1 5 TYR HA 1 6 GLU H 2.800 . 3.100 3.517 3.517 3.517 0.417 1 0 "[ ]" 1
72 1 5 TYR HA 1 6 GLU QB 5.000 . 6.400 5.521 5.521 5.521 . 0 0 "[ ]" 1
73 1 5 TYR HA 1 6 GLU QG 5.000 . 6.500 4.789 4.789 4.789 . 0 0 "[ ]" 1
74 1 5 TYR HA 1 8 ALA H 3.900 . 4.300 3.310 3.310 3.310 . 0 0 "[ ]" 1
75 1 5 TYR HA 1 8 ALA MB 2.800 . 4.100 2.689 2.689 2.689 . 0 0 "[ ]" 1
76 1 5 TYR HA 1 9 ALA H 5.000 . 5.500 4.483 4.483 4.483 . 0 0 "[ ]" 1
77 1 5 TYR HA 1 12 LEU QD 5.000 . 7.900 5.579 5.579 5.579 . 0 0 "[ ]" 1
78 1 5 TYR QB 1 6 GLU H 2.800 . 4.100 3.347 3.347 3.347 . 0 0 "[ ]" 1
79 1 5 TYR QB 1 6 GLU HA 5.000 . 6.500 4.808 4.808 4.808 . 0 0 "[ ]" 1
80 1 5 TYR QB 1 6 GLU QB 5.000 . 7.500 4.978 4.978 4.978 . 0 0 "[ ]" 1
81 1 5 TYR QB 1 6 GLU QG 5.000 . 7.500 4.581 4.581 4.581 . 0 0 "[ ]" 1
82 1 5 TYR QB 1 7 GLU H 5.000 . 6.500 5.029 5.029 5.029 . 0 0 "[ ]" 1
83 1 5 TYR QB 1 7 GLU QB 6.000 . 8.500 6.485 6.485 6.485 . 0 0 "[ ]" 1
84 1 5 TYR QB 1 8 ALA H 5.000 . 6.500 4.923 4.923 4.923 . 0 0 "[ ]" 1
85 1 5 TYR QB 1 9 ALA H 6.000 . 7.500 5.408 5.408 5.408 . 0 0 "[ ]" 1
86 1 5 TYR QB 1 12 LEU QD 6.000 . 9.900 5.617 5.617 5.617 . 0 0 "[ ]" 1
87 1 5 TYR QD 1 6 GLU H 6.000 . 8.400 2.355 2.355 2.355 . 0 0 "[ ]" 1
88 1 5 TYR QD 1 6 GLU HA 6.000 . 8.400 3.923 3.923 3.923 . 0 0 "[ ]" 1
89 1 5 TYR QD 1 7 GLU H 6.000 . 8.500 4.821 4.821 4.821 . 0 0 "[ ]" 1
90 1 5 TYR QD 1 7 GLU QB 6.000 . 9.500 6.496 6.496 6.496 . 0 0 "[ ]" 1
91 1 5 TYR QD 1 7 GLU QG 6.000 . 9.400 5.324 5.324 5.324 . 0 0 "[ ]" 1
92 1 5 TYR QD 1 8 ALA H 6.000 . 8.500 5.392 5.392 5.392 . 0 0 "[ ]" 1
93 1 5 TYR QD 1 8 ALA MB 6.000 . 9.400 4.417 4.417 4.417 . 0 0 "[ ]" 1
94 1 5 TYR QD 1 9 ALA H 6.000 . 8.500 5.078 5.078 5.078 . 0 0 "[ ]" 1
95 1 5 TYR QD 1 12 LEU QD 6.000 . 10.900 5.102 5.102 5.102 . 0 0 "[ ]" 1
96 1 5 TYR QE 1 6 GLU H 6.000 . 8.500 3.797 3.797 3.797 . 0 0 "[ ]" 1
97 1 5 TYR QE 1 6 GLU HA 6.000 . 8.500 3.914 3.914 3.914 . 0 0 "[ ]" 1
98 1 5 TYR QE 1 7 GLU H 6.000 . 8.500 5.974 5.974 5.974 . 0 0 "[ ]" 1
99 1 5 TYR QE 1 7 GLU HA 6.000 . 8.500 7.819 7.819 7.819 . 0 0 "[ ]" 1
100 1 5 TYR QE 1 7 GLU QB 6.000 . 9.500 7.539 7.539 7.539 . 0 0 "[ ]" 1
101 1 5 TYR QE 1 7 GLU QG 6.000 . 9.500 6.734 6.734 6.734 . 0 0 "[ ]" 1
102 1 5 TYR QE 1 8 ALA H 6.000 . 8.500 6.715 6.715 6.715 . 0 0 "[ ]" 1
103 1 5 TYR QE 1 8 ALA MB 6.000 . 9.500 5.881 5.881 5.881 . 0 0 "[ ]" 1
104 1 5 TYR QE 1 9 ALA H 6.000 . 8.500 5.848 5.848 5.848 . 0 0 "[ ]" 1
105 1 5 TYR QE 1 12 LEU QD 6.000 . 10.900 5.852 5.852 5.852 . 0 0 "[ ]" 1
106 1 6 GLU H 1 7 GLU H 2.800 . 3.100 2.629 2.629 2.629 . 0 0 "[ ]" 1
107 1 6 GLU H 1 8 ALA H 3.900 . 4.300 4.149 4.149 4.149 . 0 0 "[ ]" 1
108 1 6 GLU H 1 8 ALA MB 5.000 . 6.500 4.824 4.824 4.824 . 0 0 "[ ]" 1
109 1 6 GLU HA 1 7 GLU H 2.800 . 3.100 3.524 3.524 3.524 0.424 1 0 "[ ]" 1
110 1 6 GLU HA 1 9 ALA H 3.900 . 4.300 3.347 3.347 3.347 . 0 0 "[ ]" 1
111 1 6 GLU HA 1 9 ALA MB 2.800 . 4.100 2.564 2.564 2.564 . 0 0 "[ ]" 1
112 1 6 GLU HA 1 10 GLU H 5.000 . 5.500 4.855 4.855 4.855 . 0 0 "[ ]" 1
113 1 6 GLU QB 1 7 GLU H 3.900 . 5.300 3.446 3.446 3.446 . 0 0 "[ ]" 1
114 1 6 GLU QB 1 8 ALA H 5.000 . 6.500 5.102 5.102 5.102 . 0 0 "[ ]" 1
115 1 6 GLU QB 1 9 ALA H 3.900 . 5.300 4.787 4.787 4.787 . 0 0 "[ ]" 1
116 1 6 GLU QG 1 7 GLU H 3.900 . 5.300 1.815 1.815 1.815 . 0 0 "[ ]" 1
117 1 7 GLU H 1 8 ALA H 2.800 . 3.100 2.542 2.542 2.542 . 0 0 "[ ]" 1
118 1 7 GLU H 1 8 ALA MB 3.900 . 5.300 4.154 4.154 4.154 . 0 0 "[ ]" 1
119 1 7 GLU HA 1 8 ALA H 2.800 . 3.100 3.534 3.534 3.534 0.434 1 0 "[ ]" 1
120 1 7 GLU HA 1 10 GLU H 3.900 . 4.300 3.664 3.664 3.664 . 0 0 "[ ]" 1
121 1 7 GLU HA 1 10 GLU QB 3.900 . 5.300 3.304 3.304 3.304 . 0 0 "[ ]" 1
122 1 7 GLU HA 1 10 GLU HG2 5.000 . 5.500 5.591 5.591 5.591 0.091 1 0 "[ ]" 1
123 1 7 GLU HA 1 10 GLU HG3 5.000 . 5.500 4.716 4.716 4.716 . 0 0 "[ ]" 1
124 1 7 GLU HA 1 11 GLU H 5.000 . 5.500 4.716 4.716 4.716 . 0 0 "[ ]" 1
125 1 7 GLU QB 1 8 ALA H 2.800 . 4.100 3.395 3.395 3.395 . 0 0 "[ ]" 1
126 1 7 GLU QB 1 9 ALA H 3.900 . 5.300 4.929 4.929 4.929 . 0 0 "[ ]" 1
127 1 7 GLU QG 1 8 ALA H 3.900 . 5.300 1.964 1.964 1.964 . 0 0 "[ ]" 1
128 1 7 GLU QG 1 9 ALA H 3.900 . 5.300 4.094 4.094 4.094 . 0 0 "[ ]" 1
129 1 8 ALA H 1 9 ALA H 2.800 . 3.100 2.549 2.549 2.549 . 0 0 "[ ]" 1
130 1 8 ALA HA 1 9 ALA H 3.900 . 4.300 3.528 3.528 3.528 . 0 0 "[ ]" 1
131 1 8 ALA HA 1 11 GLU H 3.900 . 4.300 3.082 3.082 3.082 . 0 0 "[ ]" 1
132 1 8 ALA HA 1 11 GLU QB 2.800 . 4.100 2.327 2.327 2.327 . 0 0 "[ ]" 1
133 1 8 ALA HA 1 11 GLU QG 3.900 . 5.300 3.915 3.915 3.915 . 0 0 "[ ]" 1
134 1 8 ALA HA 1 12 LEU H 3.900 . 4.300 3.859 3.859 3.859 . 0 0 "[ ]" 1
135 1 8 ALA MB 1 11 GLU QB 3.900 . 6.300 3.490 3.490 3.490 . 0 0 "[ ]" 1
136 1 8 ALA MB 1 11 GLU QG 3.900 . 6.300 4.648 4.648 4.648 . 0 0 "[ ]" 1
137 1 8 ALA MB 1 12 LEU H 3.900 . 5.300 4.253 4.253 4.253 . 0 0 "[ ]" 1
138 1 9 ALA H 1 10 GLU H 2.800 . 3.100 2.705 2.705 2.705 . 0 0 "[ ]" 1
139 1 9 ALA H 1 11 GLU H 3.900 . 4.300 4.018 4.018 4.018 . 0 0 "[ ]" 1
140 1 9 ALA H 1 12 LEU QD 5.000 . 7.900 4.106 4.106 4.106 . 0 0 "[ ]" 1
141 1 9 ALA HA 1 12 LEU H 3.900 . 4.300 3.563 3.563 3.563 . 0 0 "[ ]" 1
142 1 9 ALA HA 1 12 LEU HB2 3.900 . 4.300 2.623 2.623 2.623 . 0 0 "[ ]" 1
143 1 9 ALA HA 1 12 LEU HB3 3.900 . 4.300 4.064 4.064 4.064 . 0 0 "[ ]" 1
144 1 9 ALA HA 1 12 LEU QD 3.900 . 6.700 2.300 2.300 2.300 . 0 0 "[ ]" 1
145 1 9 ALA HA 1 12 LEU HG 3.900 . 4.300 3.715 3.715 3.715 . 0 0 "[ ]" 1
146 1 9 ALA MB 1 10 GLU QB 3.900 . 6.300 3.981 3.981 3.981 . 0 0 "[ ]" 1
147 1 9 ALA MB 1 10 GLU HG2 5.000 . 6.500 4.773 4.773 4.773 . 0 0 "[ ]" 1
148 1 9 ALA MB 1 10 GLU HG3 5.000 . 6.500 3.235 3.235 3.235 . 0 0 "[ ]" 1
149 1 9 ALA MB 1 12 LEU HB2 5.000 . 6.500 4.142 4.142 4.142 . 0 0 "[ ]" 1
150 1 9 ALA MB 1 12 LEU HB3 5.000 . 6.500 5.328 5.328 5.328 . 0 0 "[ ]" 1
151 1 9 ALA MB 1 12 LEU QD 3.900 . 7.700 3.632 3.632 3.632 . 0 0 "[ ]" 1
152 1 10 GLU H 1 11 GLU H 2.800 . 3.100 2.525 2.525 2.525 . 0 0 "[ ]" 1
153 1 10 GLU H 1 12 LEU H 3.900 . 4.300 3.964 3.964 3.964 . 0 0 "[ ]" 1
154 1 10 GLU H 1 12 LEU HB2 5.000 . 5.500 4.770 4.770 4.770 . 0 0 "[ ]" 1
155 1 10 GLU H 1 12 LEU HB3 6.000 . 6.500 6.522 6.522 6.522 0.022 1 0 "[ ]" 1
156 1 10 GLU H 1 12 LEU QD 5.000 . 7.900 5.035 5.035 5.035 . 0 0 "[ ]" 1
157 1 10 GLU H 1 12 LEU HG 5.000 . 5.500 5.590 5.590 5.590 0.090 1 0 "[ ]" 1
158 1 10 GLU H 1 13 ALA MB 5.000 . 6.500 5.124 5.124 5.124 . 0 0 "[ ]" 1
159 1 10 GLU HA 1 11 GLU H 3.900 . 4.300 3.554 3.554 3.554 . 0 0 "[ ]" 1
160 1 10 GLU HA 1 13 ALA MB 3.900 . 5.200 3.038 3.038 3.038 . 0 0 "[ ]" 1
161 1 10 GLU HA 1 14 LYS H 5.000 . 5.500 4.032 4.032 4.032 . 0 0 "[ ]" 1
162 1 10 GLU HA 1 14 LYS QB 5.000 . 6.500 4.049 4.049 4.049 . 0 0 "[ ]" 1
163 1 10 GLU HA 1 14 LYS QE 5.000 . 6.500 4.624 4.624 4.624 . 0 0 "[ ]" 1
164 1 10 GLU QB 1 11 GLU H 2.800 . 4.100 2.627 2.627 2.627 . 0 0 "[ ]" 1
165 1 10 GLU QB 1 13 ALA MB 5.000 . 7.500 4.629 4.629 4.629 . 0 0 "[ ]" 1
166 1 10 GLU QB 1 14 LYS QB 5.000 . 7.500 3.782 3.782 3.782 . 0 0 "[ ]" 1
167 1 10 GLU QB 1 14 LYS QE 5.000 . 7.500 3.182 3.182 3.182 . 0 0 "[ ]" 1
168 1 10 GLU HG2 1 11 GLU H 5.000 . 5.500 5.163 5.163 5.163 . 0 0 "[ ]" 1
169 1 10 GLU HG2 1 13 ALA MB 5.000 . 6.500 4.982 4.982 4.982 . 0 0 "[ ]" 1
170 1 10 GLU HG2 1 14 LYS QB 5.000 . 6.500 5.115 5.115 5.115 . 0 0 "[ ]" 1
171 1 10 GLU HG2 1 14 LYS QE 5.000 . 6.500 4.926 4.926 4.926 . 0 0 "[ ]" 1
172 1 10 GLU HG3 1 11 GLU H 5.000 . 5.500 4.596 4.596 4.596 . 0 0 "[ ]" 1
173 1 10 GLU HG3 1 13 ALA MB 5.000 . 6.500 4.963 4.963 4.963 . 0 0 "[ ]" 1
174 1 10 GLU HG3 1 14 LYS QB 5.000 . 6.500 5.856 5.856 5.856 . 0 0 "[ ]" 1
175 1 10 GLU HG3 1 14 LYS QE 5.000 . 6.500 5.847 5.847 5.847 . 0 0 "[ ]" 1
176 1 11 GLU H 1 12 LEU H 2.800 . 3.100 2.531 2.531 2.531 . 0 0 "[ ]" 1
177 1 11 GLU H 1 12 LEU HB2 5.000 . 5.500 4.340 4.340 4.340 . 0 0 "[ ]" 1
178 1 11 GLU H 1 12 LEU HB3 5.000 . 5.500 5.914 5.914 5.914 0.414 1 0 "[ ]" 1
179 1 11 GLU H 1 12 LEU QD 5.000 . 7.900 4.761 4.761 4.761 . 0 0 "[ ]" 1
180 1 11 GLU H 1 12 LEU HG 5.000 . 5.500 4.536 4.536 4.536 . 0 0 "[ ]" 1
181 1 11 GLU H 1 13 ALA H 3.900 . 4.300 4.340 4.340 4.340 0.040 1 0 "[ ]" 1
182 1 11 GLU H 1 13 ALA MB 5.000 . 6.500 5.094 5.094 5.094 . 0 0 "[ ]" 1
183 1 11 GLU H 1 14 LYS QB 5.000 . 6.500 4.470 4.470 4.470 . 0 0 "[ ]" 1
184 1 11 GLU HA 1 14 LYS QB 3.900 . 5.300 2.592 2.592 2.592 . 0 0 "[ ]" 1
185 1 11 GLU HA 1 14 LYS QD 3.900 . 5.300 3.112 3.112 3.112 . 0 0 "[ ]" 1
186 1 11 GLU HA 1 14 LYS QE 3.900 . 5.300 2.911 2.911 2.911 . 0 0 "[ ]" 1
187 1 11 GLU HA 1 14 LYS QG 3.900 . 5.300 4.532 4.532 4.532 . 0 0 "[ ]" 1
188 1 11 GLU QB 1 12 LEU H 2.800 . 4.100 2.625 2.625 2.625 . 0 0 "[ ]" 1
189 1 11 GLU QB 1 12 LEU QD 5.000 . 8.900 3.869 3.869 3.869 . 0 0 "[ ]" 1
190 1 11 GLU QB 1 14 LYS H 5.000 . 6.500 4.891 4.891 4.891 . 0 0 "[ ]" 1
191 1 11 GLU QG 1 12 LEU H 3.900 . 5.300 4.059 4.059 4.059 . 0 0 "[ ]" 1
192 1 11 GLU QG 1 12 LEU QD 5.000 . 8.900 4.424 4.424 4.424 . 0 0 "[ ]" 1
193 1 11 GLU QG 1 12 LEU HG 5.000 . 6.500 4.801 4.801 4.801 . 0 0 "[ ]" 1
194 1 11 GLU QG 1 14 LYS H 5.000 . 6.500 4.973 4.973 4.973 . 0 0 "[ ]" 1
195 1 12 LEU H 1 13 ALA H 2.800 . 3.100 2.736 2.736 2.736 . 0 0 "[ ]" 1
196 1 12 LEU H 1 13 ALA MB 3.900 . 5.300 4.330 4.330 4.330 . 0 0 "[ ]" 1
197 1 12 LEU H 1 14 LYS H 3.900 . 4.300 3.845 3.845 3.845 . 0 0 "[ ]" 1
198 1 12 LEU HA 1 15 SER QB 3.900 . 5.300 3.161 3.161 3.161 . 0 0 "[ ]" 1
199 1 12 LEU HB2 1 13 ALA H 3.900 . 4.300 2.470 2.470 2.470 . 0 0 "[ ]" 1
200 1 12 LEU HB2 1 13 ALA MB 5.000 . 6.500 3.874 3.874 3.874 . 0 0 "[ ]" 1
201 1 12 LEU HB2 1 14 LYS H 5.000 . 5.500 4.679 4.679 4.679 . 0 0 "[ ]" 1
202 1 12 LEU HB3 1 13 ALA H 3.900 . 4.300 3.140 3.140 3.140 . 0 0 "[ ]" 1
203 1 12 LEU HB3 1 13 ALA MB 5.000 . 6.500 4.164 4.164 4.164 . 0 0 "[ ]" 1
204 1 12 LEU HB3 1 14 LYS H 5.000 . 5.500 5.222 5.222 5.222 . 0 0 "[ ]" 1
205 1 12 LEU QD 1 13 ALA H 3.900 . 6.700 3.975 3.975 3.975 . 0 0 "[ ]" 1
206 1 12 LEU QD 1 13 ALA MB 5.000 . 8.900 4.611 4.611 4.611 . 0 0 "[ ]" 1
207 1 12 LEU QD 1 14 LYS H 5.000 . 7.900 5.256 5.256 5.256 . 0 0 "[ ]" 1
208 1 12 LEU QD 1 15 SER H 5.000 . 7.900 5.754 5.754 5.754 . 0 0 "[ ]" 1
209 1 12 LEU HG 1 13 ALA H 3.900 . 4.300 4.507 4.507 4.507 0.207 1 0 "[ ]" 1
210 1 13 ALA H 1 14 LYS H 2.800 . 3.100 2.516 2.516 2.516 . 0 0 "[ ]" 1
211 1 13 ALA H 1 14 LYS QB 5.000 . 6.500 4.243 4.243 4.243 . 0 0 "[ ]" 1
212 1 13 ALA HA 1 14 LYS H 3.900 . 4.300 3.529 3.529 3.529 . 0 0 "[ ]" 1
213 1 13 ALA HA 1 15 SER H 5.000 . 5.500 4.021 4.021 4.021 . 0 0 "[ ]" 1
214 1 13 ALA MB 1 14 LYS H 2.800 . 4.100 2.629 2.629 2.629 . 0 0 "[ ]" 1
215 1 13 ALA MB 1 14 LYS HA 3.900 . 5.300 4.017 4.017 4.017 . 0 0 "[ ]" 1
216 1 13 ALA MB 1 15 SER H 3.900 . 5.300 4.592 4.592 4.592 . 0 0 "[ ]" 1
217 1 14 LYS H 1 15 SER H 3.900 . 4.300 3.365 3.365 3.365 . 0 0 "[ ]" 1
218 1 14 LYS HA 1 15 SER H 2.800 . 3.100 2.708 2.708 2.708 . 0 0 "[ ]" 1
219 1 14 LYS QB 1 15 SER H 3.900 . 5.300 3.996 3.996 3.996 . 0 0 "[ ]" 1
220 1 14 LYS QD 1 15 SER H 3.900 . 5.300 4.899 4.899 4.899 . 0 0 "[ ]" 1
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