NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
645007 |
6v1n   |
30690 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6v1n
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 292
_Distance_constraint_stats_list.Viol_count 2739
_Distance_constraint_stats_list.Viol_total 17587.648
_Distance_constraint_stats_list.Viol_max 1.185
_Distance_constraint_stats_list.Viol_rms 0.2030
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1506
_Distance_constraint_stats_list.Viol_average_violations_only 0.3211
_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 MET 25.978 0.824 5 9 "[** + **1** . * -2]"
1 3 ARG 45.911 0.824 5 20 [****+***********-***]
1 4 LEU 119.519 0.763 19 20 [**********-*******+*]
1 5 SER 23.147 0.673 18 20 [****-************+**]
1 7 PHE 142.275 0.666 17 20 [****************+*-*]
1 8 PHE 205.644 0.763 19 20 [**********-*******+*]
1 9 ARG 110.299 0.862 14 20 [*************+**-***]
1 10 GLN 123.419 0.862 14 20 [*************+****-*]
1 11 PHE 253.993 1.185 14 20 [*************+****-*]
1 12 ILE 249.991 0.601 14 20 [*************+****-*]
1 13 LEU 196.667 0.733 10 20 [*********+******-***]
1 14 GLN 94.135 1.185 14 20 [**********-**+******]
1 15 ARG 47.167 0.649 19 17 "[****. **********-*+2]"
1 16 LYS 35.348 0.553 14 4 "[ -. ** 1 +. 2]"
1 17 LYS 34.405 0.649 19 17 "[****. **********-*+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 2 MET HA 1 2 MET QB 2.300 . 3.100 2.389 2.218 2.470 . 0 0 "[ . 1 . 2]" 1
2 1 2 MET HA 1 3 ARG H 2.400 . 3.200 2.214 2.022 2.381 . 0 0 "[ . 1 . 2]" 1
3 1 2 MET HA 1 3 ARG QB 2.700 . 3.600 3.827 3.744 3.927 0.327 1 0 "[ . 1 . 2]" 1
4 1 2 MET HA 1 4 LEU H 2.500 . 3.400 3.120 3.031 3.248 . 0 0 "[ . 1 . 2]" 1
5 1 2 MET HA 1 4 LEU QB 2.700 . 3.600 3.928 3.836 4.058 0.458 19 0 "[ . 1 . 2]" 1
6 1 2 MET HA 1 4 LEU QD 2.800 . 3.800 3.977 3.930 4.070 0.270 5 0 "[ . 1 . 2]" 1
7 1 2 MET QB 1 3 ARG H 2.500 . 3.400 2.744 2.137 3.495 0.095 12 0 "[ . 1 . 2]" 1
8 1 2 MET QB 1 3 ARG HA 2.600 . 3.500 3.940 3.676 4.324 0.824 5 9 "[** + **1** . * -2]" 1
9 1 2 MET QB 1 4 LEU H 2.600 . 3.500 3.541 3.235 3.716 0.216 6 0 "[ . 1 . 2]" 1
10 1 3 ARG H 1 3 ARG HA 2.500 . 3.400 2.764 2.679 2.894 . 0 0 "[ . 1 . 2]" 1
11 1 3 ARG H 1 3 ARG QB 2.500 . 3.400 2.578 2.123 2.970 . 0 0 "[ . 1 . 2]" 1
12 1 3 ARG H 1 3 ARG QG 2.500 . 3.700 3.891 3.758 3.956 0.256 6 0 "[ . 1 . 2]" 1
13 1 3 ARG H 1 4 LEU H 2.600 . 3.500 1.786 1.624 2.159 0.076 13 0 "[ . 1 . 2]" 1
14 1 3 ARG HA 1 3 ARG QB 2.400 . 3.200 2.377 2.357 2.386 . 0 0 "[ . 1 . 2]" 1
15 1 3 ARG HA 1 3 ARG QG 2.500 . 3.400 2.550 2.506 2.622 . 0 0 "[ . 1 . 2]" 1
16 1 3 ARG HA 1 4 LEU H 2.300 . 3.100 3.411 3.404 3.419 0.319 12 0 "[ . 1 . 2]" 1
17 1 3 ARG QB 1 4 LEU H 2.500 . 3.400 2.324 2.213 2.447 . 0 0 "[ . 1 . 2]" 1
18 1 3 ARG QB 1 4 LEU HA 2.300 . 3.100 3.734 3.657 3.808 0.708 19 20 [****************-*+*] 1
19 1 3 ARG QG 1 4 LEU H 2.300 . 3.100 3.312 3.280 3.360 0.260 1 0 "[ . 1 . 2]" 1
20 1 3 ARG QG 1 4 LEU HA 2.300 . 3.100 3.158 3.060 3.300 0.200 5 0 "[ . 1 . 2]" 1
21 1 3 ARG QG 1 5 SER H 2.500 . 3.400 3.554 3.463 3.603 0.203 7 0 "[ . 1 . 2]" 1
22 1 4 LEU H 1 4 LEU HA 2.300 . 3.100 2.596 2.530 2.642 . 0 0 "[ . 1 . 2]" 1
23 1 4 LEU H 1 4 LEU QB 2.300 . 3.100 2.507 2.409 2.606 . 0 0 "[ . 1 . 2]" 1
24 1 4 LEU H 1 4 LEU QD 2.500 . 3.400 2.087 1.954 2.204 . 0 0 "[ . 1 . 2]" 1
25 1 4 LEU H 1 5 SER H 2.600 . 3.500 4.151 4.110 4.173 0.673 18 20 [****-************+**] 1
26 1 4 LEU HA 1 4 LEU QD 2.400 . 3.100 1.775 1.767 1.799 . 0 0 "[ . 1 . 2]" 1
27 1 4 LEU HA 1 5 SER H 2.400 . 3.200 2.157 2.136 2.200 . 0 0 "[ . 1 . 2]" 1
28 1 4 LEU HA 1 7 PHE QB 2.700 . 3.600 3.636 3.616 3.690 0.090 3 0 "[ . 1 . 2]" 1
29 1 4 LEU HA 1 7 PHE HZ 2.600 . 4.500 4.799 4.689 4.851 0.351 3 0 "[ . 1 . 2]" 1
30 1 4 LEU QB 1 4 LEU QD 2.300 . 3.100 1.902 1.891 1.906 . 0 0 "[ . 1 . 2]" 1
31 1 4 LEU QB 1 5 SER H 2.500 . 3.400 3.704 3.672 3.765 0.365 3 0 "[ . 1 . 2]" 1
32 1 4 LEU QB 1 7 PHE HZ 2.500 . 4.400 4.844 4.832 4.858 0.458 10 0 "[ . 1 . 2]" 1
33 1 4 LEU QB 1 8 PHE QE 2.400 . 3.400 4.085 4.035 4.163 0.763 19 20 [**-***************+*] 1
34 1 4 LEU QD 1 5 SER H 2.900 . 3.500 3.548 3.521 3.575 0.075 19 0 "[ . 1 . 2]" 1
35 1 4 LEU QD 1 7 PHE HA 2.700 . 3.600 4.005 3.995 4.022 0.422 5 0 "[ . 1 . 2]" 1
36 1 4 LEU QD 1 7 PHE QB 2.700 . 3.500 2.547 2.529 2.575 . 0 0 "[ . 1 . 2]" 1
37 1 4 LEU QD 1 7 PHE QD 2.600 . 3.400 2.361 2.347 2.403 . 0 0 "[ . 1 . 2]" 1
38 1 4 LEU QD 1 7 PHE QE 2.600 . 3.400 1.816 1.802 1.821 . 0 0 "[ . 1 . 2]" 1
39 1 4 LEU QD 1 7 PHE HZ 2.500 . 3.400 2.692 2.630 2.712 . 0 0 "[ . 1 . 2]" 1
40 1 4 LEU QD 1 8 PHE QE 2.900 . 3.900 2.436 2.406 2.533 . 0 0 "[ . 1 . 2]" 1
41 1 4 LEU QD 1 8 PHE HZ 2.400 . 3.200 3.706 3.685 3.754 0.554 19 12 "[** *.*** 1-* *** +2]" 1
42 1 4 LEU QD 1 11 PHE QD 2.600 . 3.500 3.859 3.819 3.892 0.392 3 0 "[ . 1 . 2]" 1
43 1 4 LEU QD 1 11 PHE QE 2.600 . 3.500 3.864 3.840 3.879 0.379 3 0 "[ . 1 . 2]" 1
44 1 5 SER H 1 5 SER HA 2.500 . 3.400 2.917 2.896 2.952 . 0 0 "[ . 1 . 2]" 1
45 1 5 SER H 1 5 SER QB 2.500 . 3.400 2.677 2.378 2.966 . 0 0 "[ . 1 . 2]" 1
46 1 5 SER HA 1 5 SER QB 2.400 . 3.200 2.325 2.221 2.430 . 0 0 "[ . 1 . 2]" 1
47 1 7 PHE H 1 7 PHE HA 2.600 . 3.500 2.706 2.703 2.710 . 0 0 "[ . 1 . 2]" 1
48 1 7 PHE H 1 7 PHE QB 2.500 . 3.400 2.361 2.353 2.376 . 0 0 "[ . 1 . 2]" 1
49 1 7 PHE HA 1 7 PHE QB 2.400 . 3.200 2.464 2.463 2.467 . 0 0 "[ . 1 . 2]" 1
50 1 7 PHE HA 1 7 PHE QD 2.600 . 3.500 2.680 2.671 2.693 . 0 0 "[ . 1 . 2]" 1
51 1 7 PHE HA 1 8 PHE HA 2.700 . 3.600 3.670 3.654 3.686 0.086 3 0 "[ . 1 . 2]" 1
52 1 7 PHE HA 1 8 PHE QE 2.600 . 4.400 4.980 4.961 4.989 0.589 3 20 [**+***************-*] 1
53 1 7 PHE HA 1 11 PHE QD 2.400 . 3.200 3.259 3.247 3.299 0.099 3 0 "[ . 1 . 2]" 1
54 1 7 PHE HA 1 11 PHE QE 2.800 . 3.800 1.850 1.807 1.888 . 0 0 "[ . 1 . 2]" 1
55 1 7 PHE QB 1 7 PHE QD 2.500 . 3.400 2.056 2.049 2.063 . 0 0 "[ . 1 . 2]" 1
56 1 7 PHE QB 1 8 PHE H 2.500 . 3.400 2.619 2.601 2.661 . 0 0 "[ . 1 . 2]" 1
57 1 7 PHE QB 1 8 PHE HA 2.600 . 3.500 3.759 3.747 3.793 0.293 5 0 "[ . 1 . 2]" 1
58 1 7 PHE QB 1 8 PHE QE 2.600 . 3.500 2.908 2.879 2.925 . 0 0 "[ . 1 . 2]" 1
59 1 7 PHE QB 1 8 PHE HZ 3.200 2.100 4.500 4.831 4.807 4.858 0.358 3 0 "[ . 1 . 2]" 1
60 1 7 PHE QB 1 11 PHE QD 2.500 . 4.100 4.574 4.567 4.592 0.492 5 0 "[ . 1 . 2]" 1
61 1 7 PHE QD 1 8 PHE HA 2.500 . 3.400 2.472 2.437 2.488 . 0 0 "[ . 1 . 2]" 1
62 1 7 PHE QD 1 8 PHE QE 2.500 . 3.400 2.541 2.513 2.579 . 0 0 "[ . 1 . 2]" 1
63 1 7 PHE QD 1 11 PHE QB 2.600 . 3.500 3.554 3.539 3.575 0.075 3 0 "[ . 1 . 2]" 1
64 1 7 PHE QD 1 11 PHE QD 2.600 . 3.500 3.339 3.299 3.363 . 0 0 "[ . 1 . 2]" 1
65 1 7 PHE QD 1 12 ILE MD 2.500 . 3.400 2.251 2.221 2.266 . 0 0 "[ . 1 . 2]" 1
66 1 7 PHE QD 1 12 ILE MD 2.500 . 3.400 2.248 2.218 2.263 . 0 0 "[ . 1 . 2]" 1
67 1 7 PHE QD 1 12 ILE QG 2.600 . 3.500 3.115 3.099 3.150 . 0 0 "[ . 1 . 2]" 1
68 1 7 PHE QD 1 12 ILE HG13 2.600 . 3.500 3.704 3.692 3.732 0.232 5 0 "[ . 1 . 2]" 1
69 1 7 PHE QE 1 8 PHE HA 2.600 . 3.500 3.700 3.671 3.713 0.213 1 0 "[ . 1 . 2]" 1
70 1 7 PHE QE 1 11 PHE H 2.500 . 3.400 3.954 3.936 3.963 0.563 17 20 [*************-**+***] 1
71 1 7 PHE QE 1 11 PHE HA 2.500 . 4.100 4.655 4.649 4.660 0.560 3 20 [**+**********-******] 1
72 1 7 PHE QE 1 11 PHE QB 2.500 . 3.400 1.908 1.893 1.915 . 0 0 "[ . 1 . 2]" 1
73 1 7 PHE QE 1 11 PHE QE 2.200 . 3.000 2.764 2.755 2.771 . 0 0 "[ . 1 . 2]" 1
74 1 7 PHE QE 1 12 ILE H 2.600 . 3.500 3.313 3.272 3.329 . 0 0 "[ . 1 . 2]" 1
75 1 7 PHE QE 1 12 ILE HA 2.700 . 3.800 4.327 4.308 4.358 0.558 14 20 [*************+****-*] 1
76 1 7 PHE QE 1 12 ILE MD 2.500 . 3.400 2.022 1.985 2.045 . 0 0 "[ . 1 . 2]" 1
77 1 7 PHE QE 1 12 ILE MD 2.500 . 3.400 2.015 1.980 2.039 . 0 0 "[ . 1 . 2]" 1
78 1 7 PHE QE 1 12 ILE QG 2.700 . 3.600 1.731 1.720 1.747 0.080 19 0 "[ . 1 . 2]" 1
79 1 7 PHE QE 1 12 ILE HG13 2.600 . 3.500 1.775 1.764 1.792 . 0 0 "[ . 1 . 2]" 1
80 1 7 PHE QE 1 13 LEU QB 2.600 . 4.500 5.155 5.135 5.166 0.666 17 20 [*************-**+***] 1
81 1 7 PHE HZ 1 8 PHE HA 2.500 . 5.300 5.707 5.703 5.712 0.412 5 0 "[ . 1 . 2]" 1
82 1 7 PHE HZ 1 8 PHE QE 2.500 . 5.000 5.185 5.142 5.199 0.199 1 0 "[ . 1 . 2]" 1
83 1 7 PHE HZ 1 11 PHE QB 2.500 . 3.400 2.105 2.081 2.158 . 0 0 "[ . 1 . 2]" 1
84 1 7 PHE HZ 1 11 PHE QD 2.500 . 3.400 2.645 2.620 2.659 . 0 0 "[ . 1 . 2]" 1
85 1 7 PHE HZ 1 11 PHE QE 2.800 . 3.800 4.052 4.009 4.071 0.271 14 0 "[ . 1 . 2]" 1
86 1 7 PHE HZ 1 12 ILE MD 2.600 . 3.500 3.784 3.775 3.797 0.297 14 0 "[ . 1 . 2]" 1
87 1 7 PHE HZ 1 12 ILE MD 2.600 . 3.500 3.711 3.704 3.723 0.223 3 0 "[ . 1 . 2]" 1
88 1 8 PHE H 1 8 PHE HA 2.500 . 3.400 1.958 1.953 1.964 . 0 0 "[ . 1 . 2]" 1
89 1 8 PHE H 1 8 PHE QB 2.400 . 3.200 3.301 3.296 3.309 0.109 5 0 "[ . 1 . 2]" 1
90 1 8 PHE H 1 8 PHE QE 2.600 . 3.700 4.085 4.073 4.100 0.400 3 0 "[ . 1 . 2]" 1
91 1 8 PHE H 1 9 ARG H 2.600 . 3.500 3.531 3.520 3.537 0.037 1 0 "[ . 1 . 2]" 1
92 1 8 PHE HA 1 8 PHE QB 2.300 . 3.100 2.546 2.545 2.548 . 0 0 "[ . 1 . 2]" 1
93 1 8 PHE HA 1 8 PHE HZ 4.400 2.900 5.900 4.477 4.467 4.483 . 0 0 "[ . 1 . 2]" 1
94 1 8 PHE HA 1 9 ARG H 2.500 . 3.400 1.740 1.737 1.747 . 0 0 "[ . 1 . 2]" 1
95 1 8 PHE HA 1 9 ARG HA 2.600 . 3.500 3.633 3.620 3.638 0.138 5 0 "[ . 1 . 2]" 1
96 1 8 PHE HA 1 11 PHE H 2.700 . 3.600 3.863 3.851 3.870 0.270 10 0 "[ . 1 . 2]" 1
97 1 8 PHE HA 1 11 PHE QB 2.400 . 3.700 4.028 4.010 4.050 0.350 3 0 "[ . 1 . 2]" 1
98 1 8 PHE HA 1 11 PHE QD 2.500 . 3.400 2.921 2.902 2.948 . 0 0 "[ . 1 . 2]" 1
99 1 8 PHE HA 1 12 ILE H 2.600 . 3.500 3.961 3.953 3.964 0.464 9 0 "[ . 1 . 2]" 1
100 1 8 PHE HA 1 12 ILE HB 2.500 . 3.700 4.168 4.164 4.184 0.484 14 0 "[ . 1 . 2]" 1
101 1 8 PHE HA 1 12 ILE MD 2.500 . 3.400 1.602 1.600 1.606 0.000 20 0 "[ . 1 . 2]" 1
102 1 8 PHE HA 1 12 ILE MD 2.400 . 3.200 1.602 1.599 1.606 0.001 20 0 "[ . 1 . 2]" 1
103 1 8 PHE HA 1 12 ILE QG 2.500 . 3.400 3.404 3.398 3.411 0.011 10 0 "[ . 1 . 2]" 1
104 1 8 PHE HA 1 12 ILE HG13 2.400 . 3.700 4.103 4.098 4.106 0.406 10 0 "[ . 1 . 2]" 1
105 1 8 PHE HA 1 13 LEU H 2.600 . 4.100 4.691 4.650 4.713 0.613 19 20 [*************-****+*] 1
106 1 8 PHE HA 1 13 LEU QB 2.400 . 3.500 3.875 3.839 3.894 0.394 19 0 "[ . 1 . 2]" 1
107 1 8 PHE HA 1 13 LEU QD 2.400 . 3.200 2.802 2.764 2.857 . 0 0 "[ . 1 . 2]" 1
108 1 8 PHE QB 1 9 ARG H 2.400 . 3.200 2.765 2.754 2.784 . 0 0 "[ . 1 . 2]" 1
109 1 8 PHE QB 1 11 PHE QD 2.400 . 4.500 4.900 4.892 4.914 0.414 14 0 "[ . 1 . 2]" 1
110 1 8 PHE QE 1 9 ARG H 2.600 . 3.500 3.690 3.683 3.702 0.202 5 0 "[ . 1 . 2]" 1
111 1 8 PHE QE 1 9 ARG HA 2.500 . 4.600 4.984 4.959 5.014 0.414 5 0 "[ . 1 . 2]" 1
112 1 8 PHE QE 1 9 ARG QG 2.500 . 4.000 4.593 4.569 4.619 0.619 5 20 [****+********-******] 1
113 1 8 PHE QE 1 12 ILE HA 2.700 . 4.600 5.036 5.023 5.059 0.459 14 0 "[ . 1 . 2]" 1
114 1 8 PHE QE 1 12 ILE HB 2.500 . 3.400 2.944 2.937 2.960 . 0 0 "[ . 1 . 2]" 1
115 1 8 PHE QE 1 12 ILE MD 2.400 . 3.200 2.418 2.402 2.430 . 0 0 "[ . 1 . 2]" 1
116 1 8 PHE QE 1 12 ILE MD 2.400 . 3.200 2.097 2.078 2.117 . 0 0 "[ . 1 . 2]" 1
117 1 8 PHE QE 1 12 ILE QG 2.600 . 3.500 2.122 2.105 2.129 . 0 0 "[ . 1 . 2]" 1
118 1 8 PHE QE 1 12 ILE HG13 2.600 . 3.500 3.696 3.687 3.701 0.201 17 0 "[ . 1 . 2]" 1
119 1 8 PHE QE 1 13 LEU QB 2.500 . 4.200 4.569 4.534 4.590 0.390 19 0 "[ . 1 . 2]" 1
120 1 8 PHE QE 1 13 LEU QD 2.500 . 3.400 2.385 2.341 2.425 . 0 0 "[ . 1 . 2]" 1
121 1 8 PHE HZ 1 12 ILE HB 2.900 . 4.100 4.665 4.658 4.677 0.577 14 20 [*************+*****-] 1
122 1 8 PHE HZ 1 12 ILE MD 2.600 . 3.500 3.463 3.447 3.481 . 0 0 "[ . 1 . 2]" 1
123 1 8 PHE HZ 1 12 ILE MD 2.500 . 3.400 2.997 2.963 3.016 . 0 0 "[ . 1 . 2]" 1
124 1 8 PHE HZ 1 12 ILE QG 2.900 . 3.900 2.259 2.244 2.267 . 0 0 "[ . 1 . 2]" 1
125 1 8 PHE HZ 1 12 ILE HG13 2.800 . 3.800 3.779 3.754 3.791 . 0 0 "[ . 1 . 2]" 1
126 1 8 PHE HZ 1 13 LEU QD 2.600 . 3.900 4.284 4.255 4.322 0.422 14 0 "[ . 1 . 2]" 1
127 1 9 ARG H 1 9 ARG HA 2.500 . 3.400 1.980 1.968 1.984 . 0 0 "[ . 1 . 2]" 1
128 1 9 ARG H 1 9 ARG QG 2.500 . 3.400 2.454 2.448 2.460 . 0 0 "[ . 1 . 2]" 1
129 1 9 ARG H 1 10 GLN QB 2.400 . 3.400 3.837 3.834 3.840 0.440 18 0 "[ . 1 . 2]" 1
130 1 9 ARG HA 1 9 ARG QG 2.500 . 3.400 2.525 2.484 2.536 . 0 0 "[ . 1 . 2]" 1
131 1 9 ARG HA 1 10 GLN QB 2.300 . 3.600 3.955 3.938 3.975 0.375 3 0 "[ . 1 . 2]" 1
132 1 9 ARG HA 1 11 PHE H 2.600 . 3.500 3.639 3.623 3.665 0.165 14 0 "[ . 1 . 2]" 1
133 1 9 ARG HA 1 11 PHE QD 2.900 . 3.900 4.329 4.293 4.343 0.443 1 0 "[ . 1 . 2]" 1
134 1 9 ARG HA 1 12 ILE H 2.600 . 3.700 4.044 4.031 4.087 0.387 14 0 "[ . 1 . 2]" 1
135 1 9 ARG HA 1 12 ILE HB 2.500 . 3.400 3.748 3.737 3.771 0.371 5 0 "[ . 1 . 2]" 1
136 1 9 ARG HA 1 12 ILE MD 2.500 . 3.400 2.730 2.709 2.744 . 0 0 "[ . 1 . 2]" 1
137 1 9 ARG HA 1 12 ILE MD 2.500 . 3.400 2.721 2.700 2.735 . 0 0 "[ . 1 . 2]" 1
138 1 9 ARG HA 1 12 ILE QG 2.600 . 4.500 4.864 4.841 4.882 0.382 5 0 "[ . 1 . 2]" 1
139 1 9 ARG HA 1 12 ILE HG13 2.600 . 5.100 5.529 5.517 5.542 0.442 5 0 "[ . 1 . 2]" 1
140 1 9 ARG HA 1 13 LEU H 2.600 . 3.500 3.368 3.340 3.383 . 0 0 "[ . 1 . 2]" 1
141 1 9 ARG HA 1 13 LEU QB 2.300 . 3.100 1.664 1.643 1.678 . 0 0 "[ . 1 . 2]" 1
142 1 9 ARG HA 1 13 LEU QD 2.500 . 3.200 1.803 1.792 1.814 . 0 0 "[ . 1 . 2]" 1
143 1 9 ARG QD 1 9 ARG HE 2.500 . 3.400 2.569 2.569 2.570 . 0 0 "[ . 1 . 2]" 1
144 1 9 ARG HE 1 9 ARG QG 2.300 . 3.100 2.534 2.525 2.552 . 0 0 "[ . 1 . 2]" 1
145 1 9 ARG HE 1 10 GLN QB 2.300 . 3.100 3.932 3.921 3.962 0.862 14 20 [*************+***-**] 1
146 1 9 ARG HE 1 13 LEU QD 2.500 . 3.200 3.706 3.697 3.719 0.519 14 17 "[****.****1** +**-***]" 1
147 1 10 GLN H 1 10 GLN HA 2.500 . 3.400 2.751 2.748 2.755 . 0 0 "[ . 1 . 2]" 1
148 1 10 GLN H 1 10 GLN QB 2.500 . 3.400 2.543 2.533 2.558 . 0 0 "[ . 1 . 2]" 1
149 1 10 GLN H 1 10 GLN QG 2.400 . 3.500 3.802 3.793 3.810 0.310 14 0 "[ . 1 . 2]" 1
150 1 10 GLN HA 1 10 GLN QB 2.400 . 3.200 2.277 2.273 2.282 . 0 0 "[ . 1 . 2]" 1
151 1 10 GLN HA 1 10 GLN QG 2.500 . 3.100 2.888 2.880 2.900 . 0 0 "[ . 1 . 2]" 1
152 1 10 GLN HA 1 11 PHE H 2.500 . 3.400 3.274 3.264 3.300 . 0 0 "[ . 1 . 2]" 1
153 1 10 GLN HA 1 11 PHE HA 2.600 . 4.100 4.470 4.463 4.503 0.403 14 0 "[ . 1 . 2]" 1
154 1 10 GLN HA 1 11 PHE QD 2.700 . 3.600 3.928 3.903 3.943 0.343 1 0 "[ . 1 . 2]" 1
155 1 10 GLN HA 1 12 ILE H 2.700 . 4.300 4.620 4.609 4.645 0.345 14 0 "[ . 1 . 2]" 1
156 1 10 GLN HA 1 12 ILE MD 2.500 . 3.800 4.144 4.138 4.152 0.352 5 0 "[ . 1 . 2]" 1
157 1 10 GLN HA 1 13 LEU H 2.500 . 3.800 4.130 4.062 4.163 0.363 5 0 "[ . 1 . 2]" 1
158 1 10 GLN HA 1 13 LEU QB 2.500 . 3.400 3.506 3.465 3.585 0.185 5 0 "[ . 1 . 2]" 1
159 1 10 GLN HA 1 13 LEU QD 2.500 . 4.400 4.765 4.750 4.794 0.394 14 0 "[ . 1 . 2]" 1
160 1 10 GLN HA 1 14 GLN QB 2.700 . 3.600 3.240 2.957 3.396 . 0 0 "[ . 1 . 2]" 1
161 1 10 GLN QB 1 11 PHE H 2.500 . 3.400 3.406 3.368 3.420 0.020 10 0 "[ . 1 . 2]" 1
162 1 10 GLN QB 1 11 PHE HA 2.700 . 4.500 4.844 4.821 4.859 0.359 3 0 "[ . 1 . 2]" 1
163 1 10 GLN QB 1 11 PHE QB 2.400 . 4.000 4.458 4.445 4.475 0.475 5 0 "[ . 1 . 2]" 1
164 1 10 GLN QB 1 11 PHE QD 2.500 . 3.400 2.506 2.470 2.524 . 0 0 "[ . 1 . 2]" 1
165 1 10 GLN QB 1 12 ILE MD 2.300 . 3.100 3.398 3.384 3.412 0.312 5 0 "[ . 1 . 2]" 1
166 1 10 GLN QB 1 13 LEU QD 2.400 . 3.900 4.384 4.375 4.428 0.528 14 1 "[ . 1 +. 2]" 1
167 1 10 GLN QG 1 11 PHE H 2.700 . 3.400 3.890 3.845 3.902 0.502 3 2 "[ + . 1 . -2]" 1
168 1 10 GLN QG 1 11 PHE QD 2.600 . 3.400 2.994 2.960 3.015 . 0 0 "[ . 1 . 2]" 1
169 1 11 PHE H 1 11 PHE HA 2.400 . 3.200 2.909 2.907 2.914 . 0 0 "[ . 1 . 2]" 1
170 1 11 PHE H 1 11 PHE QB 2.400 . 3.200 2.432 2.395 2.453 . 0 0 "[ . 1 . 2]" 1
171 1 11 PHE H 1 11 PHE QD 2.400 . 3.200 1.981 1.935 2.002 . 0 0 "[ . 1 . 2]" 1
172 1 11 PHE H 1 12 ILE H 2.500 . 3.400 1.422 1.416 1.433 0.184 1 0 "[ . 1 . 2]" 1
173 1 11 PHE H 1 12 ILE HA 2.600 . 3.700 4.078 4.075 4.082 0.382 5 0 "[ . 1 . 2]" 1
174 1 11 PHE H 1 12 ILE HB 2.400 . 3.200 3.544 3.539 3.560 0.360 5 0 "[ . 1 . 2]" 1
175 1 11 PHE H 1 12 ILE MD 2.400 . 3.200 1.641 1.626 1.652 . 0 0 "[ . 1 . 2]" 1
176 1 11 PHE H 1 12 ILE MD 2.600 . 3.500 1.641 1.625 1.652 0.075 14 0 "[ . 1 . 2]" 1
177 1 11 PHE H 1 13 LEU H 2.700 . 3.600 1.891 1.836 1.931 . 0 0 "[ . 1 . 2]" 1
178 1 11 PHE H 1 13 LEU QB 2.700 . 3.600 2.431 2.403 2.472 . 0 0 "[ . 1 . 2]" 1
179 1 11 PHE HA 1 11 PHE QB 2.400 . 3.200 2.347 2.343 2.349 . 0 0 "[ . 1 . 2]" 1
180 1 11 PHE HA 1 11 PHE QD 2.400 . 3.200 3.103 3.092 3.113 . 0 0 "[ . 1 . 2]" 1
181 1 11 PHE HA 1 11 PHE QE 2.200 . 4.400 4.676 4.656 4.684 0.284 3 0 "[ . 1 . 2]" 1
182 1 11 PHE HA 1 12 ILE H 2.500 . 3.400 3.329 3.320 3.332 . 0 0 "[ . 1 . 2]" 1
183 1 11 PHE HA 1 12 ILE HA 2.600 . 4.400 4.599 4.595 4.607 0.207 14 0 "[ . 1 . 2]" 1
184 1 11 PHE HA 1 12 ILE HB 2.500 . 5.400 5.747 5.742 5.755 0.355 14 0 "[ . 1 . 2]" 1
185 1 11 PHE HA 1 12 ILE MD 2.700 . 3.600 3.866 3.861 3.875 0.275 3 0 "[ . 1 . 2]" 1
186 1 11 PHE HA 1 14 GLN QB 2.500 . 3.400 2.608 2.448 3.363 . 0 0 "[ . 1 . 2]" 1
187 1 11 PHE HA 1 14 GLN QG . 2.900 3.400 2.734 2.595 2.784 0.305 14 0 "[ . 1 . 2]" 1
188 1 11 PHE QB 1 11 PHE QD 2.400 . 3.200 2.009 2.006 2.016 . 0 0 "[ . 1 . 2]" 1
189 1 11 PHE QB 1 12 ILE H 2.500 . 3.400 2.024 1.965 2.043 . 0 0 "[ . 1 . 2]" 1
190 1 11 PHE QB 1 12 ILE HA 2.700 . 3.600 3.405 3.379 3.425 . 0 0 "[ . 1 . 2]" 1
191 1 11 PHE QB 1 13 LEU QB 2.400 . 3.700 4.191 4.173 4.204 0.504 5 1 "[ + 1 . 2]" 1
192 1 11 PHE QD 1 12 ILE H 2.400 . 3.200 2.739 2.699 2.751 . 0 0 "[ . 1 . 2]" 1
193 1 11 PHE QD 1 12 ILE HA 2.500 . 4.700 5.097 5.067 5.118 0.418 14 0 "[ . 1 . 2]" 1
194 1 11 PHE QD 1 12 ILE HB 2.500 . 4.000 4.582 4.548 4.601 0.601 14 20 [**-**********+******] 1
195 1 11 PHE QD 1 12 ILE MD 2.500 . 3.400 1.779 1.765 1.804 . 0 0 "[ . 1 . 2]" 1
196 1 11 PHE QD 1 12 ILE MD 2.500 . 3.400 1.779 1.765 1.804 . 0 0 "[ . 1 . 2]" 1
197 1 11 PHE QD 1 12 ILE QG 2.500 . 3.400 3.375 3.347 3.399 . 0 0 "[ . 1 . 2]" 1
198 1 11 PHE QD 1 12 ILE HG13 2.500 . 3.400 3.515 3.484 3.541 0.141 14 0 "[ . 1 . 2]" 1
199 1 11 PHE QD 1 13 LEU QB 2.400 . 3.200 3.745 3.719 3.756 0.556 17 20 [*************-**+***] 1
200 1 11 PHE QD 1 13 LEU QD 2.500 . 4.000 3.917 3.864 4.010 0.010 14 0 "[ . 1 . 2]" 1
201 1 11 PHE QD 1 14 GLN QB 2.800 . 3.800 4.566 4.504 4.985 1.185 14 20 [*************+****-*] 1
202 1 11 PHE QD 1 14 GLN QG 2.700 . 4.200 4.706 4.513 4.756 0.556 18 14 "[****.*** 1-* ** +**]" 1
203 1 11 PHE QE 1 12 ILE MD 2.400 . 3.200 3.433 3.388 3.458 0.258 14 0 "[ . 1 . 2]" 1
204 1 11 PHE QE 1 12 ILE MD 2.800 . 3.800 3.424 3.380 3.449 . 0 0 "[ . 1 . 2]" 1
205 1 11 PHE QE 1 13 LEU QB 2.700 . 4.800 5.425 5.385 5.442 0.642 19 20 [**-***************+*] 1
206 1 12 ILE H 1 12 ILE HA 2.400 . 3.200 2.769 2.763 2.772 . 0 0 "[ . 1 . 2]" 1
207 1 12 ILE H 1 12 ILE HB 2.400 . 3.200 2.480 2.475 2.503 . 0 0 "[ . 1 . 2]" 1
208 1 12 ILE H 1 12 ILE MD 2.500 . 3.400 1.354 1.350 1.363 0.250 3 0 "[ . 1 . 2]" 1
209 1 12 ILE H 1 12 ILE MD 2.400 . 3.200 1.353 1.349 1.362 0.251 3 0 "[ . 1 . 2]" 1
210 1 12 ILE H 1 12 ILE QG 2.400 . 3.200 2.124 2.085 2.134 . 0 0 "[ . 1 . 2]" 1
211 1 12 ILE H 1 12 ILE HG13 2.400 . 3.200 2.152 2.111 2.163 . 0 0 "[ . 1 . 2]" 1
212 1 12 ILE H 1 13 LEU H 2.500 . 3.400 1.580 1.566 1.609 0.034 1 0 "[ . 1 . 2]" 1
213 1 12 ILE H 1 13 LEU HA 2.700 . 4.000 4.305 4.293 4.321 0.321 5 0 "[ . 1 . 2]" 1
214 1 12 ILE H 1 13 LEU QB 2.500 . 3.400 2.532 2.510 2.580 . 0 0 "[ . 1 . 2]" 1
215 1 12 ILE H 1 13 LEU QD 2.800 . 3.800 3.028 3.008 3.131 . 0 0 "[ . 1 . 2]" 1
216 1 12 ILE HA 1 12 ILE HB 2.400 . 3.200 2.968 2.965 2.970 . 0 0 "[ . 1 . 2]" 1
217 1 12 ILE HA 1 12 ILE MD 2.400 . 3.200 3.520 3.518 3.527 0.327 14 0 "[ . 1 . 2]" 1
218 1 12 ILE HA 1 12 ILE MD 2.300 . 3.100 2.270 2.239 2.278 . 0 0 "[ . 1 . 2]" 1
219 1 12 ILE HA 1 12 ILE QG 2.400 . 3.200 2.578 2.570 2.613 . 0 0 "[ . 1 . 2]" 1
220 1 12 ILE HA 1 12 ILE HG13 2.400 . 3.200 2.636 2.628 2.675 . 0 0 "[ . 1 . 2]" 1
221 1 12 ILE HA 1 13 LEU H 2.400 . 3.200 3.199 3.195 3.206 0.006 10 0 "[ . 1 . 2]" 1
222 1 12 ILE HA 1 13 LEU HA 2.500 . 4.200 4.530 4.501 4.540 0.340 7 0 "[ . 1 . 2]" 1
223 1 12 ILE HA 1 13 LEU QB 2.400 . 4.000 4.352 4.350 4.356 0.356 5 0 "[ . 1 . 2]" 1
224 1 12 ILE HA 1 13 LEU QD 2.500 . 3.400 3.535 3.514 3.550 0.150 19 0 "[ . 1 . 2]" 1
225 1 12 ILE HA 1 14 GLN H 2.600 . 3.800 4.092 4.037 4.280 0.480 14 0 "[ . 1 . 2]" 1
226 1 12 ILE HB 1 12 ILE MD 2.400 . 3.200 2.085 2.084 2.088 . 0 0 "[ . 1 . 2]" 1
227 1 12 ILE HB 1 12 ILE MD 2.300 . 3.100 1.905 1.904 1.907 . 0 0 "[ . 1 . 2]" 1
228 1 12 ILE HB 1 12 ILE QG 2.300 . 3.100 2.455 2.453 2.456 . 0 0 "[ . 1 . 2]" 1
229 1 12 ILE HB 1 12 ILE HG13 2.400 . 3.200 2.900 2.896 2.904 . 0 0 "[ . 1 . 2]" 1
230 1 12 ILE HB 1 13 LEU H 2.400 . 3.200 2.451 2.439 2.479 . 0 0 "[ . 1 . 2]" 1
231 1 12 ILE HB 1 13 LEU QB 2.400 . 3.200 2.509 2.485 2.527 . 0 0 "[ . 1 . 2]" 1
232 1 12 ILE HB 1 13 LEU QD 2.400 . 3.200 1.805 1.798 1.819 . 0 0 "[ . 1 . 2]" 1
233 1 12 ILE MD 1 12 ILE HG13 2.300 . 3.100 2.135 2.134 2.139 . 0 0 "[ . 1 . 2]" 1
234 1 12 ILE MD 1 12 ILE HG13 2.300 . 3.100 2.067 2.065 2.071 . 0 0 "[ . 1 . 2]" 1
235 1 12 ILE MD 1 13 LEU H 2.500 . 3.400 1.960 1.893 1.982 . 0 0 "[ . 1 . 2]" 1
236 1 12 ILE MD 1 13 LEU H 2.600 . 3.500 1.966 1.897 1.988 . 0 0 "[ . 1 . 2]" 1
237 1 12 ILE MD 1 13 LEU HA 2.600 . 3.700 4.177 4.134 4.185 0.485 3 0 "[ . 1 . 2]" 1
238 1 12 ILE QG 1 13 LEU H 2.500 . 3.400 3.401 3.367 3.427 0.027 10 0 "[ . 1 . 2]" 1
239 1 12 ILE HG13 1 13 LEU H 2.600 . 3.500 3.555 3.517 3.585 0.085 10 0 "[ . 1 . 2]" 1
240 1 12 ILE HG13 1 13 LEU HA 2.500 . 5.500 5.840 5.832 5.848 0.348 3 0 "[ . 1 . 2]" 1
241 1 13 LEU H 1 13 LEU HA 2.400 . 3.200 2.846 2.841 2.848 . 0 0 "[ . 1 . 2]" 1
242 1 13 LEU H 1 13 LEU QB 2.400 . 3.200 1.575 1.567 1.609 0.033 11 0 "[ . 1 . 2]" 1
243 1 13 LEU H 1 13 LEU QD 2.500 . 3.200 2.658 2.644 2.723 . 0 0 "[ . 1 . 2]" 1
244 1 13 LEU H 1 14 GLN H 2.400 . 3.200 1.949 1.867 3.069 . 0 0 "[ . 1 . 2]" 1
245 1 13 LEU HA 1 13 LEU QB 2.300 . 3.100 2.523 2.507 2.527 . 0 0 "[ . 1 . 2]" 1
246 1 13 LEU HA 1 13 LEU QD 2.400 . 3.100 1.766 1.757 1.773 . 0 0 "[ . 1 . 2]" 1
247 1 13 LEU HA 1 16 LYS QB 2.400 . 3.200 3.379 3.322 3.455 0.255 17 0 "[ . 1 . 2]" 1
248 1 13 LEU HA 1 17 LYS H 2.600 . 3.500 3.718 3.529 3.836 0.336 1 0 "[ . 1 . 2]" 1
249 1 13 LEU QB 1 13 LEU QD 2.400 . 3.100 1.805 1.784 1.836 . 0 0 "[ . 1 . 2]" 1
250 1 13 LEU QB 1 14 GLN H 2.500 . 3.200 2.889 2.787 3.705 0.505 14 1 "[ . 1 +. 2]" 1
251 1 13 LEU QB 1 14 GLN QG 2.600 . 3.500 3.939 3.848 3.977 0.477 1 0 "[ . 1 . 2]" 1
252 1 13 LEU QD 1 14 GLN H 2.600 . 3.400 3.808 3.700 3.819 0.419 9 0 "[ . 1 . 2]" 1
253 1 13 LEU QD 1 14 GLN QG 2.600 2.500 3.600 4.292 4.256 4.333 0.733 10 20 [*********+***-******] 1
254 1 14 GLN H 1 14 GLN HA 2.300 . 3.100 2.706 2.669 2.936 . 0 0 "[ . 1 . 2]" 1
255 1 14 GLN H 1 14 GLN QB 2.400 . 3.200 2.588 2.545 3.142 . 0 0 "[ . 1 . 2]" 1
256 1 14 GLN H 1 14 GLN QG 2.500 . 3.200 1.568 1.527 1.940 0.073 9 0 "[ . 1 . 2]" 1
257 1 14 GLN H 1 15 ARG H 2.500 . 3.400 2.790 1.638 2.911 . 0 0 "[ . 1 . 2]" 1
258 1 14 GLN HA 1 14 GLN QB 2.300 . 3.100 2.209 2.205 2.221 . 0 0 "[ . 1 . 2]" 1
259 1 14 GLN HA 1 14 GLN QG 2.400 . 3.200 3.228 3.212 3.235 0.035 1 0 "[ . 1 . 2]" 1
260 1 14 GLN HA 1 15 ARG H 2.400 . 3.200 3.503 3.489 3.533 0.333 19 0 "[ . 1 . 2]" 1
261 1 14 GLN HA 1 15 ARG QB 2.500 . 4.900 5.321 5.268 5.358 0.458 12 0 "[ . 1 . 2]" 1
262 1 14 GLN QB 1 14 GLN QG 2.300 . 3.100 2.144 2.116 2.148 . 0 0 "[ . 1 . 2]" 1
263 1 14 GLN QB 1 15 ARG H 2.600 . 3.400 3.332 3.279 3.381 . 0 0 "[ . 1 . 2]" 1
264 1 14 GLN QB 1 15 ARG HA 2.500 . 3.400 3.844 3.816 3.919 0.519 14 1 "[ . 1 +. 2]" 1
265 1 14 GLN QG 1 15 ARG H 2.900 . 3.400 1.915 1.839 1.979 0.061 14 0 "[ . 1 . 2]" 1
266 1 14 GLN QG 1 15 ARG HA 2.500 . 3.400 3.490 3.417 3.671 0.271 14 0 "[ . 1 . 2]" 1
267 1 14 GLN QG 1 15 ARG QG 2.400 . 3.200 3.266 3.096 3.337 0.137 20 0 "[ . 1 . 2]" 1
268 1 15 ARG H 1 15 ARG HA 2.400 . 3.200 2.817 2.797 2.857 . 0 0 "[ . 1 . 2]" 1
269 1 15 ARG H 1 15 ARG QB 2.400 . 3.200 2.456 2.400 2.555 . 0 0 "[ . 1 . 2]" 1
270 1 15 ARG H 1 15 ARG QG 2.400 . 3.200 1.972 1.946 2.018 . 0 0 "[ . 1 . 2]" 1
271 1 15 ARG H 1 16 LYS H 2.600 . 3.500 2.485 2.232 2.565 . 0 0 "[ . 1 . 2]" 1
272 1 15 ARG HA 1 15 ARG QB 2.500 . 3.200 2.201 2.196 2.206 . 0 0 "[ . 1 . 2]" 1
273 1 15 ARG HA 1 15 ARG QG 2.400 . 3.200 3.311 3.299 3.321 0.121 12 0 "[ . 1 . 2]" 1
274 1 15 ARG HA 1 16 LYS H 2.300 . 3.100 3.478 3.441 3.496 0.396 6 0 "[ . 1 . 2]" 1
275 1 15 ARG QG 1 16 LYS H 2.600 . 3.500 2.462 2.358 2.620 . 0 0 "[ . 1 . 2]" 1
276 1 15 ARG QG 1 17 LYS H 2.500 . 3.400 3.933 3.861 4.049 0.649 19 16 "[****. ******* **-*+2]" 1
277 1 16 LYS H 1 16 LYS HA 2.300 . 3.100 2.931 2.914 2.946 . 0 0 "[ . 1 . 2]" 1
278 1 16 LYS H 1 16 LYS QB 2.400 . 3.200 2.423 2.307 2.616 . 0 0 "[ . 1 . 2]" 1
279 1 16 LYS H 1 16 LYS QG 2.500 . 3.400 3.266 2.299 3.888 0.488 18 0 "[ . 1 . 2]" 1
280 1 16 LYS H 1 17 LYS H 2.500 . 3.400 1.757 1.656 1.916 . 0 0 "[ . 1 . 2]" 1
281 1 16 LYS H 1 17 LYS QB 2.500 . 3.400 3.745 3.654 3.828 0.428 11 0 "[ . 1 . 2]" 1
282 1 16 LYS HA 1 16 LYS QB 2.300 . 3.100 2.347 2.285 2.389 . 0 0 "[ . 1 . 2]" 1
283 1 16 LYS HA 1 16 LYS QG 2.400 . 3.200 2.578 2.501 2.748 . 0 0 "[ . 1 . 2]" 1
284 1 16 LYS HA 1 17 LYS H 2.300 . 3.100 3.470 3.401 3.532 0.432 3 0 "[ . 1 . 2]" 1
285 1 16 LYS QB 1 16 LYS QG 2.300 . 3.100 2.126 2.121 2.135 . 0 0 "[ . 1 . 2]" 1
286 1 16 LYS QB 1 17 LYS H 2.500 . 3.100 2.474 2.238 2.700 . 0 0 "[ . 1 . 2]" 1
287 1 16 LYS QG 1 17 LYS H 2.300 . 3.100 3.345 3.093 3.653 0.553 14 4 "[ -. ** 1 +. 2]" 1
288 1 17 LYS H 1 17 LYS HA 2.400 . 3.200 2.868 2.236 2.963 . 0 0 "[ . 1 . 2]" 1
289 1 17 LYS H 1 17 LYS QB 2.300 . 3.100 2.348 2.161 2.992 . 0 0 "[ . 1 . 2]" 1
290 1 17 LYS H 1 17 LYS QG 2.400 . 3.200 3.029 2.683 3.274 0.074 3 0 "[ . 1 . 2]" 1
291 1 17 LYS HA 1 17 LYS QB 2.400 . 3.200 2.506 2.461 2.585 . 0 0 "[ . 1 . 2]" 1
292 1 17 LYS HA 1 17 LYS QG 2.500 . 3.400 2.479 2.221 2.843 . 0 0 "[ . 1 . 2]" 1
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