NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
434065 |
2jvy   |
15500 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jvy
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 306
_Distance_constraint_stats_list.Viol_count 155
_Distance_constraint_stats_list.Viol_total 89.319
_Distance_constraint_stats_list.Viol_max 0.331
_Distance_constraint_stats_list.Viol_rms 0.0179
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0029
_Distance_constraint_stats_list.Viol_average_violations_only 0.0576
_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 SER 0.000 0.000 . 0 "[ . 1]"
1 3 ASP 0.255 0.140 7 0 "[ . 1]"
1 4 PHE 1.125 0.140 7 0 "[ . 1]"
1 5 CYS 0.044 0.044 5 0 "[ . 1]"
1 6 CYS 1.569 0.090 4 0 "[ . 1]"
1 7 PRO 0.247 0.047 9 0 "[ . 1]"
1 8 LYS 0.456 0.069 6 0 "[ . 1]"
1 9 CYS 1.753 0.116 3 0 "[ . 1]"
1 10 GLN 0.000 0.000 . 0 "[ . 1]"
1 11 TYR 0.731 0.082 7 0 "[ . 1]"
1 12 GLN 0.330 0.151 7 0 "[ . 1]"
1 13 ALA 0.006 0.006 3 0 "[ . 1]"
1 14 PRO 0.074 0.037 5 0 "[ . 1]"
1 15 ASP 0.745 0.152 2 0 "[ . 1]"
1 16 MET 0.720 0.112 6 0 "[ . 1]"
1 17 ASP 0.227 0.152 2 0 "[ . 1]"
1 18 THR 0.081 0.042 3 0 "[ . 1]"
1 19 LEU 0.357 0.069 6 0 "[ . 1]"
1 20 GLN 0.000 0.000 . 0 "[ . 1]"
1 21 ILE 0.421 0.121 6 0 "[ . 1]"
1 22 HIS 0.953 0.116 3 0 "[ . 1]"
1 23 VAL 0.484 0.133 1 0 "[ . 1]"
1 24 MET 0.425 0.121 6 0 "[ . 1]"
1 25 GLU 2.444 0.331 9 0 "[ . 1]"
1 26 PHE 2.886 0.331 9 0 "[ . 1]"
1 27 ILE 0.503 0.201 7 0 "[ . 1]"
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 SER HA 1 3 ASP H 3.000 . 4.100 2.907 2.234 3.410 . 0 0 "[ . 1]" 1
2 1 2 SER HB2 1 3 ASP H 4.100 . 6.000 3.995 2.976 4.498 . 0 0 "[ . 1]" 1
3 1 3 ASP H 1 3 ASP HA 3.000 . 4.100 2.910 2.875 2.931 . 0 0 "[ . 1]" 1
4 1 3 ASP H 1 3 ASP HB2 3.900 . 5.800 3.127 2.486 3.880 . 0 0 "[ . 1]" 1
5 1 3 ASP H 1 3 ASP HB3 3.000 . 4.100 3.283 2.702 3.673 . 0 0 "[ . 1]" 1
6 1 3 ASP H 1 4 PHE H 3.800 . 5.600 4.277 3.265 4.566 . 0 0 "[ . 1]" 1
7 1 3 ASP HA 1 4 PHE H 3.300 . 4.600 2.456 2.123 3.499 . 0 0 "[ . 1]" 1
8 1 3 ASP HB2 1 4 PHE QD 3.500 . 6.000 5.184 3.491 6.140 0.140 7 0 "[ . 1]" 1
9 1 4 PHE H 1 4 PHE QB 2.500 . 3.300 2.523 2.379 2.622 . 0 0 "[ . 1]" 1
10 1 4 PHE H 1 4 PHE QD 2.700 . 3.600 2.782 2.451 3.087 . 0 0 "[ . 1]" 1
11 1 4 PHE H 1 5 CYS H 3.700 . 5.400 4.221 3.970 4.551 . 0 0 "[ . 1]" 1
12 1 4 PHE H 1 19 LEU HB2 3.300 . 4.600 3.919 3.559 4.188 . 0 0 "[ . 1]" 1
13 1 4 PHE HA 1 4 PHE QB 2.300 . 3.000 2.368 2.326 2.403 . 0 0 "[ . 1]" 1
14 1 4 PHE HA 1 4 PHE QD 2.600 . 3.400 2.838 2.589 3.024 . 0 0 "[ . 1]" 1
15 1 4 PHE HA 1 4 PHE QE 3.600 . 5.300 4.639 4.576 4.690 . 0 0 "[ . 1]" 1
16 1 4 PHE HA 1 5 CYS H 2.700 . 3.600 2.209 2.145 2.457 . 0 0 "[ . 1]" 1
17 1 4 PHE HA 1 19 LEU MD2 3.700 . 5.400 3.475 3.075 3.704 . 0 0 "[ . 1]" 1
18 1 4 PHE QB 1 13 ALA MB 2.300 . 3.000 2.658 2.268 2.905 . 0 0 "[ . 1]" 1
19 1 4 PHE QB 1 4 PHE QD 2.200 . 2.800 2.124 2.119 2.127 . 0 0 "[ . 1]" 1
20 1 4 PHE QB 1 4 PHE QE 3.100 . 4.300 3.924 3.919 3.928 . 0 0 "[ . 1]" 1
21 1 4 PHE QB 1 5 CYS H 3.300 . 4.700 3.366 2.528 3.694 . 0 0 "[ . 1]" 1
22 1 4 PHE QB 1 19 LEU HB2 2.600 . 3.400 2.649 2.441 2.984 . 0 0 "[ . 1]" 1
23 1 4 PHE QB 1 19 LEU MD1 3.800 . 5.600 3.139 2.368 3.427 . 0 0 "[ . 1]" 1
24 1 4 PHE QB 1 19 LEU MD2 2.400 . 3.100 1.680 1.631 1.757 0.069 6 0 "[ . 1]" 1
25 1 4 PHE QD 1 14 PRO HA 3.400 . 4.900 4.217 3.499 4.937 0.037 5 0 "[ . 1]" 1
26 1 4 PHE QD 1 15 ASP HA 2.500 . 3.300 3.044 2.794 3.310 0.010 3 0 "[ . 1]" 1
27 1 4 PHE QD 1 16 MET HA 2.700 . 3.600 3.292 2.491 3.712 0.112 6 0 "[ . 1]" 1
28 1 4 PHE QD 1 19 LEU MD2 3.000 . 4.100 3.186 2.571 3.585 . 0 0 "[ . 1]" 1
29 1 4 PHE QE 1 15 ASP HA 2.600 . 3.500 3.013 2.803 3.155 . 0 0 "[ . 1]" 1
30 1 4 PHE QE 1 15 ASP QB 3.500 . 5.000 4.844 4.435 5.047 0.047 5 0 "[ . 1]" 1
31 1 4 PHE QE 1 16 MET H 2.800 . 3.800 3.297 2.717 3.833 0.033 6 0 "[ . 1]" 1
32 1 4 PHE QE 1 16 MET HA 3.400 . 4.800 4.030 3.411 4.439 . 0 0 "[ . 1]" 1
33 1 4 PHE QE 1 16 MET QG 2.900 . 3.900 3.677 2.853 3.977 0.077 7 0 "[ . 1]" 1
34 1 4 PHE QE 1 19 LEU MD2 4.700 . 6.000 4.808 4.148 5.147 . 0 0 "[ . 1]" 1
35 1 5 CYS H 1 5 CYS QB 2.900 . 4.000 2.695 2.497 2.857 . 0 0 "[ . 1]" 1
36 1 5 CYS H 1 19 LEU MD2 4.000 . 6.000 3.577 2.619 4.349 . 0 0 "[ . 1]" 1
37 1 5 CYS HA 1 5 CYS QB 2.500 . 3.300 2.267 2.177 2.405 . 0 0 "[ . 1]" 1
38 1 5 CYS HA 1 6 CYS H 2.700 . 3.600 2.239 2.206 2.288 . 0 0 "[ . 1]" 1
39 1 5 CYS HA 1 12 GLN HA 2.500 . 3.300 1.858 1.656 2.231 0.044 5 0 "[ . 1]" 1
40 1 5 CYS HA 1 13 ALA H 4.100 . 6.000 2.813 2.466 3.126 . 0 0 "[ . 1]" 1
41 1 5 CYS HA 1 19 LEU MD1 3.700 . 5.400 3.208 2.904 3.528 . 0 0 "[ . 1]" 1
42 1 5 CYS HB3 1 13 ALA H 4.300 . 6.000 4.849 4.041 5.761 . 0 0 "[ . 1]" 1
43 1 6 CYS H 1 6 CYS HB2 3.300 . 4.700 2.674 2.612 2.792 . 0 0 "[ . 1]" 1
44 1 6 CYS H 1 6 CYS HB3 3.100 . 4.300 2.516 2.461 2.567 . 0 0 "[ . 1]" 1
45 1 6 CYS HA 1 6 CYS HB2 2.400 . 3.100 2.480 2.453 2.499 . 0 0 "[ . 1]" 1
46 1 6 CYS HA 1 7 PRO HD2 2.400 . 3.100 2.422 2.116 2.759 . 0 0 "[ . 1]" 1
47 1 6 CYS HA 1 7 PRO HD3 2.100 . 2.700 2.042 1.793 2.333 . 0 0 "[ . 1]" 1
48 1 6 CYS HA 1 11 TYR QD 5.200 . 6.000 5.261 4.896 5.472 . 0 0 "[ . 1]" 1
49 1 6 CYS HA 1 19 LEU MD1 2.300 . 3.000 2.392 2.167 3.021 0.021 2 0 "[ . 1]" 1
50 1 6 CYS HA 1 19 LEU MD2 3.400 . 4.900 3.387 2.815 4.049 . 0 0 "[ . 1]" 1
51 1 6 CYS HA 1 22 HIS HD2 5.500 . 6.000 4.152 3.930 4.266 . 0 0 "[ . 1]" 1
52 1 6 CYS HB2 1 11 TYR HB3 2.600 . 3.400 3.409 3.201 3.451 0.051 7 0 "[ . 1]" 1
53 1 6 CYS HB2 1 11 TYR QD 3.000 . 4.100 3.233 3.013 3.372 . 0 0 "[ . 1]" 1
54 1 6 CYS HB2 1 19 LEU MD1 2.900 . 3.900 2.353 1.952 2.850 . 0 0 "[ . 1]" 1
55 1 6 CYS HB2 1 22 HIS HD2 2.900 . 4.000 2.220 1.835 2.404 . 0 0 "[ . 1]" 1
56 1 6 CYS HB3 1 7 PRO HD2 3.500 . 5.000 4.579 4.292 4.786 . 0 0 "[ . 1]" 1
57 1 6 CYS HB3 1 7 PRO HD3 4.900 . 6.000 4.821 4.567 5.056 . 0 0 "[ . 1]" 1
58 1 6 CYS HB3 1 9 CYS H 2.800 . 3.800 3.233 2.999 3.404 . 0 0 "[ . 1]" 1
59 1 6 CYS HB3 1 11 TYR HB3 2.300 . 2.900 2.825 2.659 2.909 0.009 7 0 "[ . 1]" 1
60 1 6 CYS HB3 1 11 TYR QD 3.100 . 4.300 3.807 3.502 3.912 . 0 0 "[ . 1]" 1
61 1 6 CYS HB3 1 11 TYR QE 4.400 . 6.000 5.999 5.684 6.082 0.082 7 0 "[ . 1]" 1
62 1 6 CYS HB3 1 19 LEU MD1 3.500 . 5.000 3.669 3.342 4.020 . 0 0 "[ . 1]" 1
63 1 6 CYS HB3 1 22 HIS HD2 3.300 . 4.600 3.533 3.077 3.767 . 0 0 "[ . 1]" 1
64 1 6 CYS SG 1 9 CYS SG 3.700 3.680 3.720 3.615 3.590 3.651 0.090 4 0 "[ . 1]" 1
65 1 6 CYS SG 1 22 HIS NE2 3.500 3.480 3.520 3.456 3.426 3.520 0.054 5 0 "[ . 1]" 1
66 1 7 PRO HA 1 7 PRO HB2 2.600 . 3.500 2.861 2.692 2.977 . 0 0 "[ . 1]" 1
67 1 7 PRO HA 1 7 PRO HB3 2.800 . 3.800 2.290 2.276 2.307 . 0 0 "[ . 1]" 1
68 1 7 PRO HA 1 7 PRO QG 3.300 . 4.700 3.175 2.895 3.510 . 0 0 "[ . 1]" 1
69 1 7 PRO HB2 1 7 PRO HD3 3.700 . 5.400 3.901 3.863 3.957 . 0 0 "[ . 1]" 1
70 1 7 PRO HB3 1 7 PRO HD3 2.500 . 3.300 2.781 2.374 2.948 . 0 0 "[ . 1]" 1
71 1 7 PRO HD2 1 8 LYS H 4.200 . 6.000 2.763 2.481 3.111 . 0 0 "[ . 1]" 1
72 1 7 PRO HD2 1 8 LYS QG 2.600 . 3.400 3.400 3.156 3.447 0.047 9 0 "[ . 1]" 1
73 1 7 PRO HD2 1 23 VAL QG 2.600 . 3.400 3.194 2.711 3.399 . 0 0 "[ . 1]" 1
74 1 7 PRO HD3 1 7 PRO QG 2.600 . 3.400 2.203 2.183 2.232 . 0 0 "[ . 1]" 1
75 1 7 PRO HD3 1 8 LYS QG 2.600 . 6.000 4.880 4.683 5.070 . 0 0 "[ . 1]" 1
76 1 7 PRO HD3 1 19 LEU MD1 3.500 . 5.000 3.743 3.473 4.712 . 0 0 "[ . 1]" 1
77 1 7 PRO HD3 1 19 LEU MD2 3.300 . 4.700 3.569 2.923 4.356 . 0 0 "[ . 1]" 1
78 1 7 PRO HD3 1 23 VAL QG 2.200 . 6.000 3.836 2.927 4.529 . 0 0 "[ . 1]" 1
79 1 8 LYS H 1 8 LYS QB 3.000 . 4.100 2.527 2.448 2.618 . 0 0 "[ . 1]" 1
80 1 8 LYS H 1 8 LYS QG 4.000 . 6.000 2.448 2.106 2.834 . 0 0 "[ . 1]" 1
81 1 8 LYS H 1 9 CYS H 2.200 . 2.800 2.324 1.951 2.571 . 0 0 "[ . 1]" 1
82 1 8 LYS HA 1 8 LYS QB 2.400 . 3.100 2.339 2.301 2.356 . 0 0 "[ . 1]" 1
83 1 8 LYS HA 1 8 LYS QG 2.400 . 3.100 2.651 2.444 3.070 . 0 0 "[ . 1]" 1
84 1 8 LYS HA 1 9 CYS H 3.300 . 4.700 3.228 3.132 3.365 . 0 0 "[ . 1]" 1
85 1 8 LYS QB 1 8 LYS QG 2.200 . 2.800 2.059 1.992 2.089 . 0 0 "[ . 1]" 1
86 1 8 LYS QB 1 9 CYS H 2.600 . 3.500 3.435 3.259 3.569 0.069 6 0 "[ . 1]" 1
87 1 8 LYS QG 1 9 CYS H 4.400 . 6.000 4.289 4.154 4.439 . 0 0 "[ . 1]" 1
88 1 9 CYS H 1 9 CYS HA 2.600 . 3.400 2.422 2.285 2.508 . 0 0 "[ . 1]" 1
89 1 9 CYS H 1 9 CYS HB2 2.200 . 2.800 2.809 2.673 2.891 0.091 1 0 "[ . 1]" 1
90 1 9 CYS H 1 9 CYS HB3 3.100 . 4.300 3.871 3.789 3.906 . 0 0 "[ . 1]" 1
91 1 9 CYS HA 1 9 CYS HB2 2.800 . 3.800 3.027 3.014 3.032 . 0 0 "[ . 1]" 1
92 1 9 CYS HB2 1 11 TYR H 3.100 . 4.300 2.694 2.030 3.882 . 0 0 "[ . 1]" 1
93 1 9 CYS SG 1 22 HIS NE2 3.500 3.480 3.520 3.586 3.535 3.636 0.116 3 0 "[ . 1]" 1
94 1 10 GLN H 1 10 GLN HA 2.500 . 3.300 2.940 2.904 2.952 . 0 0 "[ . 1]" 1
95 1 10 GLN H 1 10 GLN HB2 3.300 . 4.600 2.780 2.387 3.725 . 0 0 "[ . 1]" 1
96 1 10 GLN H 1 10 GLN HB3 3.400 . 4.900 3.546 2.909 3.727 . 0 0 "[ . 1]" 1
97 1 10 GLN H 1 11 TYR H 2.800 . 3.800 2.551 1.928 3.794 . 0 0 "[ . 1]" 1
98 1 10 GLN HA 1 10 GLN HB3 2.400 . 3.100 2.177 2.119 2.273 . 0 0 "[ . 1]" 1
99 1 11 TYR H 1 11 TYR HB2 3.100 . 4.300 2.764 2.327 3.424 . 0 0 "[ . 1]" 1
100 1 11 TYR H 1 11 TYR HB3 3.000 . 4.100 2.565 2.424 2.898 . 0 0 "[ . 1]" 1
101 1 11 TYR H 1 11 TYR QD 4.700 . 6.000 4.224 4.130 4.372 . 0 0 "[ . 1]" 1
102 1 11 TYR HA 1 11 TYR HB2 2.100 . 2.700 2.466 2.437 2.504 . 0 0 "[ . 1]" 1
103 1 11 TYR HA 1 11 TYR HB3 2.600 . 3.400 3.028 3.023 3.032 . 0 0 "[ . 1]" 1
104 1 11 TYR HA 1 11 TYR QD 2.400 . 3.100 2.869 2.686 2.985 . 0 0 "[ . 1]" 1
105 1 11 TYR HA 1 11 TYR QE 3.100 . 6.000 4.673 4.601 4.716 . 0 0 "[ . 1]" 1
106 1 11 TYR HA 1 12 GLN H 2.200 . 2.800 2.142 2.114 2.159 . 0 0 "[ . 1]" 1
107 1 11 TYR HB2 1 11 TYR QD 2.200 . 2.800 2.434 2.395 2.497 . 0 0 "[ . 1]" 1
108 1 11 TYR HB2 1 12 GLN H 4.200 . 6.000 4.237 4.155 4.293 . 0 0 "[ . 1]" 1
109 1 11 TYR HB3 1 11 TYR QD 2.100 . 2.700 2.365 2.322 2.398 . 0 0 "[ . 1]" 1
110 1 11 TYR HB3 1 22 HIS HD2 3.400 . 4.800 4.366 3.838 4.802 0.002 4 0 "[ . 1]" 1
111 1 11 TYR QD 1 12 GLN H 3.000 . 4.100 3.616 3.488 3.714 . 0 0 "[ . 1]" 1
112 1 11 TYR QD 1 13 ALA H 4.200 . 6.000 4.186 3.995 4.432 . 0 0 "[ . 1]" 1
113 1 11 TYR QD 1 13 ALA HA 3.700 . 5.400 4.762 4.458 5.102 . 0 0 "[ . 1]" 1
114 1 11 TYR QD 1 13 ALA MB 3.100 . 4.300 3.341 2.968 3.590 . 0 0 "[ . 1]" 1
115 1 11 TYR QD 1 19 LEU MD1 2.500 . 3.300 3.077 2.868 3.315 0.015 6 0 "[ . 1]" 1
116 1 11 TYR QD 1 22 HIS HB2 3.500 . 5.100 4.117 3.886 4.520 . 0 0 "[ . 1]" 1
117 1 11 TYR QE 1 12 GLN H 3.300 . 4.700 4.592 4.408 4.723 0.023 10 0 "[ . 1]" 1
118 1 11 TYR QE 1 13 ALA H 4.500 . 6.000 4.356 4.134 4.630 . 0 0 "[ . 1]" 1
119 1 11 TYR QE 1 13 ALA HA 3.000 . 4.100 3.595 3.167 4.106 0.006 3 0 "[ . 1]" 1
120 1 11 TYR QE 1 13 ALA MB 2.000 . 2.500 2.092 1.816 2.376 . 0 0 "[ . 1]" 1
121 1 11 TYR QE 1 14 PRO HD2 3.900 . 5.800 4.830 4.410 5.311 . 0 0 "[ . 1]" 1
122 1 11 TYR QE 1 14 PRO HD3 4.300 . 6.000 5.208 4.828 6.004 0.004 9 0 "[ . 1]" 1
123 1 11 TYR QE 1 18 THR HB 5.400 . 6.000 4.795 3.847 5.434 . 0 0 "[ . 1]" 1
124 1 11 TYR QE 1 19 LEU MD1 2.800 . 3.800 3.585 3.214 3.834 0.034 7 0 "[ . 1]" 1
125 1 11 TYR QE 1 22 HIS HB2 2.700 . 3.600 3.210 2.934 3.470 . 0 0 "[ . 1]" 1
126 1 12 GLN H 1 12 GLN HB2 3.000 . 4.100 3.223 2.524 3.762 . 0 0 "[ . 1]" 1
127 1 12 GLN H 1 12 GLN HB3 3.000 . 4.100 3.301 2.359 3.784 . 0 0 "[ . 1]" 1
128 1 12 GLN H 1 12 GLN HG2 2.900 . 4.000 3.160 2.091 4.151 0.151 7 0 "[ . 1]" 1
129 1 12 GLN HA 1 12 GLN HB2 2.700 . 3.600 2.691 2.377 3.026 . 0 0 "[ . 1]" 1
130 1 12 GLN HA 1 12 GLN HB3 2.600 . 3.500 2.490 2.376 3.017 . 0 0 "[ . 1]" 1
131 1 12 GLN HA 1 13 ALA H 2.200 . 2.800 2.169 2.117 2.212 . 0 0 "[ . 1]" 1
132 1 12 GLN HB2 1 13 ALA H 3.600 . 5.200 3.658 3.019 4.327 . 0 0 "[ . 1]" 1
133 1 12 GLN HB3 1 13 ALA H 3.300 . 4.600 3.800 3.088 4.363 . 0 0 "[ . 1]" 1
134 1 12 GLN HG3 1 13 ALA H 3.800 . 5.600 4.619 3.281 5.212 . 0 0 "[ . 1]" 1
135 1 13 ALA H 1 13 ALA MB 2.300 . 3.000 2.392 2.351 2.460 . 0 0 "[ . 1]" 1
136 1 13 ALA HA 1 13 ALA MB 2.100 . 2.700 2.132 2.126 2.136 . 0 0 "[ . 1]" 1
137 1 13 ALA HA 1 14 PRO HD2 2.300 . 3.000 2.345 2.087 2.569 . 0 0 "[ . 1]" 1
138 1 13 ALA HA 1 14 PRO HD3 2.100 . 2.700 2.216 2.053 2.374 . 0 0 "[ . 1]" 1
139 1 13 ALA HA 1 15 ASP H 4.700 . 6.000 3.842 3.594 4.073 . 0 0 "[ . 1]" 1
140 1 13 ALA MB 1 14 PRO HD2 2.300 . 3.000 2.488 2.190 2.998 . 0 0 "[ . 1]" 1
141 1 13 ALA MB 1 14 PRO HD3 3.000 . 4.100 3.494 3.291 3.818 . 0 0 "[ . 1]" 1
142 1 13 ALA MB 1 15 ASP H 2.500 . 3.300 2.604 2.444 2.795 . 0 0 "[ . 1]" 1
143 1 13 ALA MB 1 16 MET H 4.100 . 6.000 4.753 4.659 5.039 . 0 0 "[ . 1]" 1
144 1 14 PRO HA 1 14 PRO HB2 2.600 . 3.400 2.697 2.671 2.734 . 0 0 "[ . 1]" 1
145 1 14 PRO HA 1 14 PRO QG 3.300 . 4.700 3.509 3.498 3.522 . 0 0 "[ . 1]" 1
146 1 14 PRO HA 1 15 ASP H 3.300 . 4.700 3.365 3.193 3.525 . 0 0 "[ . 1]" 1
147 1 14 PRO HB2 1 14 PRO HD2 3.300 . 4.600 4.018 3.975 4.052 . 0 0 "[ . 1]" 1
148 1 14 PRO HB2 1 14 PRO HD3 3.300 . 4.600 3.949 3.894 4.005 . 0 0 "[ . 1]" 1
149 1 14 PRO HB3 1 14 PRO HD2 2.900 . 4.000 3.878 3.868 3.888 . 0 0 "[ . 1]" 1
150 1 14 PRO HB3 1 14 PRO HD3 2.500 . 3.300 3.041 2.950 3.145 . 0 0 "[ . 1]" 1
151 1 14 PRO HB3 1 15 ASP H 4.500 . 6.000 4.402 4.168 4.564 . 0 0 "[ . 1]" 1
152 1 14 PRO HD2 1 14 PRO QG 2.300 . 3.000 2.180 2.175 2.186 . 0 0 "[ . 1]" 1
153 1 14 PRO HD3 1 14 PRO QG 2.300 . 3.000 2.221 2.206 2.237 . 0 0 "[ . 1]" 1
154 1 14 PRO QG 1 15 ASP H 2.700 . 3.600 3.031 2.417 3.561 . 0 0 "[ . 1]" 1
155 1 15 ASP H 1 15 ASP HA 2.800 . 3.800 2.914 2.878 2.944 . 0 0 "[ . 1]" 1
156 1 15 ASP H 1 15 ASP QB 3.100 . 4.300 2.808 2.602 3.244 . 0 0 "[ . 1]" 1
157 1 15 ASP H 1 16 MET H 4.000 . 6.000 4.383 4.301 4.463 . 0 0 "[ . 1]" 1
158 1 15 ASP H 1 18 THR H 4.200 . 6.000 4.519 3.987 5.061 . 0 0 "[ . 1]" 1
159 1 15 ASP H 1 18 THR HB 2.700 . 3.600 3.211 2.617 3.642 0.042 3 0 "[ . 1]" 1
160 1 15 ASP HA 1 15 ASP QB 2.400 . 3.100 2.313 2.185 2.432 . 0 0 "[ . 1]" 1
161 1 15 ASP HA 1 16 MET H 2.500 . 3.300 2.337 2.232 2.523 . 0 0 "[ . 1]" 1
162 1 15 ASP HA 1 17 ASP H 4.300 . 6.000 4.302 4.114 4.580 . 0 0 "[ . 1]" 1
163 1 15 ASP HA 1 18 THR H 4.000 . 6.000 4.905 4.612 5.308 . 0 0 "[ . 1]" 1
164 1 15 ASP QB 1 16 MET H 2.600 . 3.400 3.086 2.158 3.489 0.089 4 0 "[ . 1]" 1
165 1 15 ASP QB 1 17 ASP H 2.800 . 3.800 3.390 2.780 3.952 0.152 2 0 "[ . 1]" 1
166 1 16 MET H 1 16 MET HA 2.800 . 3.800 2.856 2.816 2.901 . 0 0 "[ . 1]" 1
167 1 16 MET H 1 16 MET QB 2.400 . 3.100 2.404 2.237 2.634 . 0 0 "[ . 1]" 1
168 1 16 MET H 1 16 MET QG 3.500 . 5.000 3.274 1.974 3.996 0.026 1 0 "[ . 1]" 1
169 1 16 MET H 1 17 ASP H 2.400 . 3.100 2.535 2.315 2.688 . 0 0 "[ . 1]" 1
170 1 16 MET H 1 18 THR H 3.900 . 5.800 4.198 3.961 4.490 . 0 0 "[ . 1]" 1
171 1 16 MET HA 1 16 MET QB 2.300 . 2.900 2.305 2.171 2.390 . 0 0 "[ . 1]" 1
172 1 16 MET HA 1 16 MET QG 2.900 . 4.000 2.732 2.403 3.349 . 0 0 "[ . 1]" 1
173 1 16 MET HA 1 17 ASP H 3.100 . 4.300 3.520 3.468 3.553 . 0 0 "[ . 1]" 1
174 1 16 MET HA 1 19 LEU HB2 3.200 . 4.500 3.490 3.019 4.162 . 0 0 "[ . 1]" 1
175 1 16 MET HA 1 19 LEU MD2 3.400 . 4.800 3.503 3.179 4.126 . 0 0 "[ . 1]" 1
176 1 16 MET QB 1 17 ASP H 2.900 . 4.000 2.927 2.524 3.610 . 0 0 "[ . 1]" 1
177 1 16 MET HG2 1 19 LEU H 4.500 . 6.000 4.784 4.533 5.204 . 0 0 "[ . 1]" 1
178 1 17 ASP H 1 17 ASP QB 2.400 . 3.100 2.309 2.245 2.420 . 0 0 "[ . 1]" 1
179 1 17 ASP H 1 18 THR H 2.700 . 3.600 2.576 2.386 2.724 . 0 0 "[ . 1]" 1
180 1 17 ASP HA 1 17 ASP QB 2.400 . 3.100 2.370 2.177 2.448 . 0 0 "[ . 1]" 1
181 1 17 ASP HA 1 18 THR H 3.300 . 4.700 3.523 3.483 3.555 . 0 0 "[ . 1]" 1
182 1 17 ASP HA 1 20 GLN H 2.900 . 4.000 3.295 3.031 3.555 . 0 0 "[ . 1]" 1
183 1 17 ASP QB 1 18 THR H 2.700 . 3.600 2.593 2.412 3.434 . 0 0 "[ . 1]" 1
184 1 18 THR H 1 18 THR HA 2.400 . 3.100 2.407 2.348 2.471 . 0 0 "[ . 1]" 1
185 1 18 THR H 1 18 THR MG 3.800 . 5.600 3.746 3.711 3.764 . 0 0 "[ . 1]" 1
186 1 18 THR H 1 19 LEU H 2.700 . 3.600 2.708 2.623 2.786 . 0 0 "[ . 1]" 1
187 1 18 THR HA 1 18 THR MG 2.200 . 2.800 1.982 1.953 2.002 . 0 0 "[ . 1]" 1
188 1 18 THR HA 1 21 ILE H 3.400 . 4.800 3.531 3.375 3.709 . 0 0 "[ . 1]" 1
189 1 18 THR HA 1 21 ILE HB 2.700 . 3.600 3.101 2.875 3.383 . 0 0 "[ . 1]" 1
190 1 18 THR HA 1 21 ILE MD 2.600 . 3.400 2.775 2.233 3.206 . 0 0 "[ . 1]" 1
191 1 18 THR HA 1 21 ILE HG13 2.700 . 3.600 3.441 3.084 3.626 0.026 7 0 "[ . 1]" 1
192 1 18 THR HA 1 21 ILE MG 4.200 . 6.000 4.416 4.204 4.697 . 0 0 "[ . 1]" 1
193 1 18 THR HB 1 19 LEU H 2.400 . 3.100 2.343 2.130 2.483 . 0 0 "[ . 1]" 1
194 1 19 LEU H 1 19 LEU HA 2.400 . 3.100 2.829 2.812 2.857 . 0 0 "[ . 1]" 1
195 1 19 LEU H 1 19 LEU HB2 2.400 . 3.100 2.552 2.504 2.609 . 0 0 "[ . 1]" 1
196 1 19 LEU H 1 19 LEU HB3 2.200 . 2.800 2.523 2.497 2.583 . 0 0 "[ . 1]" 1
197 1 19 LEU H 1 19 LEU MD1 3.400 . 4.900 3.230 3.104 3.322 . 0 0 "[ . 1]" 1
198 1 19 LEU H 1 19 LEU MD2 4.800 . 6.000 4.282 4.250 4.315 . 0 0 "[ . 1]" 1
199 1 19 LEU H 1 19 LEU HG 2.900 . 3.900 3.216 2.556 3.649 . 0 0 "[ . 1]" 1
200 1 19 LEU H 1 20 GLN H 2.500 . 3.300 2.608 2.482 2.703 . 0 0 "[ . 1]" 1
201 1 19 LEU HA 1 19 LEU HB3 2.400 . 3.100 3.021 3.018 3.024 . 0 0 "[ . 1]" 1
202 1 19 LEU HA 1 19 LEU MD1 2.100 . 2.700 2.091 2.028 2.233 . 0 0 "[ . 1]" 1
203 1 19 LEU HA 1 19 LEU MD2 3.500 . 5.100 3.895 3.884 3.919 . 0 0 "[ . 1]" 1
204 1 19 LEU HA 1 20 GLN H 3.000 . 4.100 3.528 3.502 3.554 . 0 0 "[ . 1]" 1
205 1 19 LEU HB2 1 19 LEU MD1 2.500 . 3.300 2.321 2.250 2.360 . 0 0 "[ . 1]" 1
206 1 19 LEU HB2 1 19 LEU MD2 2.500 . 3.300 2.460 2.418 2.530 . 0 0 "[ . 1]" 1
207 1 19 LEU HB3 1 19 LEU MD1 3.100 . 4.300 3.191 3.175 3.199 . 0 0 "[ . 1]" 1
208 1 19 LEU HB3 1 19 LEU MD2 2.900 . 3.900 2.279 2.239 2.300 . 0 0 "[ . 1]" 1
209 1 19 LEU HB3 1 20 GLN H 2.900 . 4.000 2.598 2.431 2.737 . 0 0 "[ . 1]" 1
210 1 19 LEU MD1 1 19 LEU HG 2.300 . 3.000 1.986 1.977 2.000 . 0 0 "[ . 1]" 1
211 1 19 LEU MD1 1 22 HIS HB3 3.000 . 4.100 2.658 2.362 3.233 . 0 0 "[ . 1]" 1
212 1 19 LEU MD1 1 22 HIS HD2 2.600 . 3.500 2.828 2.477 3.514 0.014 3 0 "[ . 1]" 1
213 1 19 LEU MD1 1 23 VAL H 4.100 . 6.000 3.762 3.400 4.104 . 0 0 "[ . 1]" 1
214 1 19 LEU MD2 1 19 LEU HG 2.300 . 2.900 2.124 2.119 2.127 . 0 0 "[ . 1]" 1
215 1 19 LEU MD2 1 20 GLN H 3.300 . 4.700 4.225 3.938 4.371 . 0 0 "[ . 1]" 1
216 1 19 LEU HG 1 20 GLN H 3.700 . 5.400 3.778 3.664 3.984 . 0 0 "[ . 1]" 1
217 1 20 GLN H 1 20 GLN HA 2.800 . 3.800 2.795 2.769 2.818 . 0 0 "[ . 1]" 1
218 1 20 GLN H 1 20 GLN HB2 2.300 . 3.000 2.439 2.294 2.518 . 0 0 "[ . 1]" 1
219 1 20 GLN H 1 20 GLN HB3 3.100 . 4.300 2.790 2.506 3.604 . 0 0 "[ . 1]" 1
220 1 20 GLN H 1 20 GLN QG 3.000 . 4.100 3.656 2.229 4.048 . 0 0 "[ . 1]" 1
221 1 20 GLN H 1 21 ILE H 2.700 . 3.600 2.719 2.641 2.819 . 0 0 "[ . 1]" 1
222 1 20 GLN HA 1 20 GLN HB2 2.500 . 3.300 2.594 2.444 3.021 . 0 0 "[ . 1]" 1
223 1 20 GLN HA 1 20 GLN QG 2.700 . 3.600 2.731 2.370 3.007 . 0 0 "[ . 1]" 1
224 1 20 GLN HA 1 21 ILE H 3.100 . 4.300 3.530 3.509 3.550 . 0 0 "[ . 1]" 1
225 1 20 GLN HA 1 23 VAL H 3.200 . 4.500 3.581 3.304 3.810 . 0 0 "[ . 1]" 1
226 1 20 GLN HA 1 23 VAL QG 2.600 . 6.000 2.742 1.902 4.190 . 0 0 "[ . 1]" 1
227 1 20 GLN HA 1 24 MET H 3.500 . 5.000 4.092 3.662 4.823 . 0 0 "[ . 1]" 1
228 1 20 GLN HB2 1 21 ILE H 3.100 . 4.300 3.628 2.733 3.951 . 0 0 "[ . 1]" 1
229 1 20 GLN HB3 1 21 ILE H 3.100 . 4.300 2.834 2.514 3.753 . 0 0 "[ . 1]" 1
230 1 20 GLN QG 1 21 ILE H 4.500 . 6.000 3.825 3.537 4.180 . 0 0 "[ . 1]" 1
231 1 21 ILE H 1 21 ILE HA 2.800 . 3.800 2.849 2.829 2.869 . 0 0 "[ . 1]" 1
232 1 21 ILE H 1 21 ILE HB 2.300 . 3.000 2.534 2.482 2.577 . 0 0 "[ . 1]" 1
233 1 21 ILE H 1 21 ILE MD 4.500 . 6.000 3.609 3.535 3.679 . 0 0 "[ . 1]" 1
234 1 21 ILE H 1 21 ILE HG12 3.300 . 4.600 3.377 3.270 3.474 . 0 0 "[ . 1]" 1
235 1 21 ILE H 1 21 ILE HG13 2.400 . 3.100 2.144 2.073 2.223 . 0 0 "[ . 1]" 1
236 1 21 ILE H 1 21 ILE MG 4.300 . 6.000 3.774 3.762 3.789 . 0 0 "[ . 1]" 1
237 1 21 ILE H 1 22 HIS H 2.800 . 3.800 2.546 2.461 2.624 . 0 0 "[ . 1]" 1
238 1 21 ILE HA 1 21 ILE MD 4.200 . 6.000 3.824 3.780 3.849 . 0 0 "[ . 1]" 1
239 1 21 ILE HA 1 21 ILE HG12 2.900 . 3.900 2.517 2.443 2.560 . 0 0 "[ . 1]" 1
240 1 21 ILE HA 1 21 ILE HG13 2.700 . 3.600 3.043 2.997 3.138 . 0 0 "[ . 1]" 1
241 1 21 ILE HA 1 21 ILE MG 2.400 . 3.100 2.397 2.355 2.423 . 0 0 "[ . 1]" 1
242 1 21 ILE HA 1 22 HIS H 3.000 . 4.100 3.524 3.493 3.549 . 0 0 "[ . 1]" 1
243 1 21 ILE HA 1 24 MET H 3.300 . 4.700 3.554 3.454 3.702 . 0 0 "[ . 1]" 1
244 1 21 ILE HB 1 21 ILE MD 2.400 . 3.100 2.443 2.413 2.487 . 0 0 "[ . 1]" 1
245 1 21 ILE HB 1 21 ILE MG 2.200 . 2.800 2.131 2.128 2.133 . 0 0 "[ . 1]" 1
246 1 21 ILE HB 1 22 HIS H 3.300 . 4.700 2.673 2.472 2.867 . 0 0 "[ . 1]" 1
247 1 21 ILE HB 1 24 MET H 4.200 . 6.000 5.517 5.320 5.742 . 0 0 "[ . 1]" 1
248 1 21 ILE HG12 1 24 MET H 3.600 . 6.000 6.029 5.935 6.121 0.121 6 0 "[ . 1]" 1
249 1 21 ILE HG13 1 22 HIS H 5.100 . 6.000 4.181 4.106 4.255 . 0 0 "[ . 1]" 1
250 1 22 HIS H 1 22 HIS HA 2.500 . 3.300 2.813 2.784 2.849 . 0 0 "[ . 1]" 1
251 1 22 HIS H 1 22 HIS HB2 2.700 . 3.600 2.677 2.553 2.792 . 0 0 "[ . 1]" 1
252 1 22 HIS H 1 22 HIS HB3 2.400 . 3.100 2.402 2.300 2.510 . 0 0 "[ . 1]" 1
253 1 22 HIS H 1 23 VAL H 3.100 . 4.300 2.750 2.630 2.824 . 0 0 "[ . 1]" 1
254 1 22 HIS H 1 23 VAL QG 5.200 . 6.000 3.900 3.660 4.173 . 0 0 "[ . 1]" 1
255 1 22 HIS HA 1 22 HIS HB2 2.400 . 3.100 2.399 2.353 2.443 . 0 0 "[ . 1]" 1
256 1 22 HIS HA 1 22 HIS HB3 2.700 . 3.600 3.023 3.010 3.030 . 0 0 "[ . 1]" 1
257 1 22 HIS HA 1 22 HIS HD2 3.500 . 5.000 4.437 4.288 4.588 . 0 0 "[ . 1]" 1
258 1 22 HIS HA 1 23 VAL H 3.400 . 4.800 3.564 3.552 3.576 . 0 0 "[ . 1]" 1
259 1 22 HIS HB2 1 22 HIS HD2 3.100 . 4.300 3.100 2.907 3.338 . 0 0 "[ . 1]" 1
260 1 22 HIS HB2 1 23 VAL H 2.900 . 4.000 2.798 2.772 2.843 . 0 0 "[ . 1]" 1
261 1 22 HIS HB3 1 22 HIS HD2 2.900 . 4.000 2.757 2.699 2.799 . 0 0 "[ . 1]" 1
262 1 22 HIS HB3 1 23 VAL H 2.900 . 4.000 2.523 2.399 2.646 . 0 0 "[ . 1]" 1
263 1 22 HIS HD2 1 23 VAL H 3.400 . 4.900 3.376 3.128 3.651 . 0 0 "[ . 1]" 1
264 1 22 HIS HD2 1 23 VAL HB 3.700 . 5.400 4.371 2.894 5.011 . 0 0 "[ . 1]" 1
265 1 22 HIS HD2 1 23 VAL QG 3.000 . 4.000 2.497 1.911 3.575 . 0 0 "[ . 1]" 1
266 1 23 VAL H 1 23 VAL HB 2.800 . 3.800 2.931 2.496 3.679 . 0 0 "[ . 1]" 1
267 1 23 VAL H 1 23 VAL QG 2.700 . 3.600 2.007 1.854 2.268 . 0 0 "[ . 1]" 1
268 1 23 VAL H 1 24 MET H 2.800 . 3.800 2.557 2.415 2.794 . 0 0 "[ . 1]" 1
269 1 23 VAL HA 1 23 VAL QG 2.800 . 3.800 2.197 2.115 2.283 . 0 0 "[ . 1]" 1
270 1 23 VAL HA 1 24 MET H 3.200 . 4.500 3.382 2.997 3.545 . 0 0 "[ . 1]" 1
271 1 23 VAL HA 1 25 GLU H 3.700 . 5.500 4.088 3.058 5.251 . 0 0 "[ . 1]" 1
272 1 23 VAL HA 1 26 PHE QD 3.400 . 4.800 4.066 2.698 4.916 0.116 1 0 "[ . 1]" 1
273 1 23 VAL HB 1 24 MET H 3.100 . 4.300 3.610 2.409 4.342 0.042 2 0 "[ . 1]" 1
274 1 23 VAL QG 1 24 MET H 3.600 . 5.200 2.980 2.141 3.804 . 0 0 "[ . 1]" 1
275 1 23 VAL QG 1 24 MET HA 3.500 . 5.100 3.900 3.366 4.489 . 0 0 "[ . 1]" 1
276 1 23 VAL QG 1 26 PHE QD 3.300 . 4.600 2.769 1.961 3.734 0.039 7 0 "[ . 1]" 1
277 1 23 VAL QG 1 26 PHE QE 3.600 . 5.200 3.323 1.867 4.891 0.133 1 0 "[ . 1]" 1
278 1 24 MET H 1 24 MET HA 3.000 . 4.100 2.490 2.246 2.850 . 0 0 "[ . 1]" 1
279 1 24 MET H 1 24 MET QB 2.600 . 3.400 2.770 2.215 3.388 . 0 0 "[ . 1]" 1
280 1 24 MET H 1 24 MET HG2 4.400 . 6.000 4.573 3.500 5.315 . 0 0 "[ . 1]" 1
281 1 24 MET H 1 24 MET HG3 4.000 . 6.000 4.249 2.832 4.866 . 0 0 "[ . 1]" 1
282 1 24 MET HA 1 24 MET QB 2.300 . 3.000 2.384 2.343 2.424 . 0 0 "[ . 1]" 1
283 1 24 MET HA 1 24 MET HG2 4.300 . 6.000 3.242 2.512 3.761 . 0 0 "[ . 1]" 1
284 1 24 MET HA 1 24 MET HG3 3.100 . 4.300 2.828 2.455 3.125 . 0 0 "[ . 1]" 1
285 1 25 GLU H 1 25 GLU HA 2.700 . 3.600 2.800 2.256 2.947 . 0 0 "[ . 1]" 1
286 1 25 GLU H 1 25 GLU HB2 3.300 . 4.700 2.915 2.254 3.845 . 0 0 "[ . 1]" 1
287 1 25 GLU H 1 25 GLU HB3 3.200 . 4.500 3.589 3.058 4.055 . 0 0 "[ . 1]" 1
288 1 25 GLU H 1 25 GLU QG 3.100 . 4.300 2.971 2.023 4.208 . 0 0 "[ . 1]" 1
289 1 25 GLU HA 1 25 GLU QG 2.700 . 3.600 2.547 2.315 3.345 . 0 0 "[ . 1]" 1
290 1 25 GLU HA 1 26 PHE QE 3.900 2.700 5.100 4.909 3.704 5.431 0.331 9 0 "[ . 1]" 1
291 1 25 GLU HB2 1 26 PHE H 4.500 . 6.000 3.654 2.853 4.554 . 0 0 "[ . 1]" 1
292 1 25 GLU HB2 1 26 PHE QE 3.200 . 6.000 4.893 2.690 6.289 0.289 4 0 "[ . 1]" 1
293 1 25 GLU HB3 1 26 PHE QE 4.400 . 6.000 4.857 3.254 6.253 0.253 10 0 "[ . 1]" 1
294 1 25 GLU QG 1 26 PHE QD 2.800 . 6.000 4.974 4.276 5.810 . 0 0 "[ . 1]" 1
295 1 25 GLU HG2 1 26 PHE H 4.600 . 6.000 4.584 3.409 5.128 . 0 0 "[ . 1]" 1
296 1 26 PHE H 1 26 PHE QB 3.600 . 5.200 2.881 2.605 3.470 . 0 0 "[ . 1]" 1
297 1 26 PHE H 1 26 PHE QD 4.300 . 6.000 2.977 2.553 3.238 . 0 0 "[ . 1]" 1
298 1 26 PHE HA 1 26 PHE QD 2.800 . 3.800 2.886 2.242 3.674 . 0 0 "[ . 1]" 1
299 1 26 PHE HA 1 26 PHE QE 3.900 . 5.800 4.796 4.427 5.601 . 0 0 "[ . 1]" 1
300 1 26 PHE HA 1 27 ILE H 3.100 . 4.300 2.667 2.153 3.402 . 0 0 "[ . 1]" 1
301 1 27 ILE H 1 27 ILE HG12 3.000 . 4.100 3.326 2.059 4.301 0.201 7 0 "[ . 1]" 1
302 1 27 ILE H 1 27 ILE HG13 3.400 . 4.800 3.394 1.846 4.680 0.154 3 0 "[ . 1]" 1
303 1 27 ILE H 1 27 ILE MG 3.900 . 5.800 3.412 1.983 4.064 0.017 9 0 "[ . 1]" 1
304 1 27 ILE HA 1 27 ILE HB 2.700 . 3.600 2.803 2.360 3.033 . 0 0 "[ . 1]" 1
305 1 27 ILE HA 1 27 ILE HG13 3.200 . 4.500 3.400 2.396 4.273 . 0 0 "[ . 1]" 1
306 1 27 ILE HA 1 27 ILE MG 2.600 . 3.400 2.430 2.185 3.202 . 0 0 "[ . 1]" 1
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