NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
455766 |
2kpb   |
16551 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kpb
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 303
_Distance_constraint_stats_list.Viol_count 341
_Distance_constraint_stats_list.Viol_total 272.194
_Distance_constraint_stats_list.Viol_max 0.284
_Distance_constraint_stats_list.Viol_rms 0.0133
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0022
_Distance_constraint_stats_list.Viol_average_violations_only 0.0399
_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 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 VAL 0.487 0.042 1 0 "[ . 1 . 2]"
1 4 ASP 2.099 0.126 1 0 "[ . 1 . 2]"
1 5 PRO 2.677 0.151 19 0 "[ . 1 . 2]"
1 6 PHE 4.638 0.220 19 0 "[ . 1 . 2]"
1 7 TYR 1.049 0.053 20 0 "[ . 1 . 2]"
1 8 GLU 2.193 0.126 1 0 "[ . 1 . 2]"
1 9 MET 2.578 0.123 7 0 "[ . 1 . 2]"
1 10 LEU 0.554 0.043 12 0 "[ . 1 . 2]"
1 11 ALA 0.037 0.024 19 0 "[ . 1 . 2]"
1 12 ALA 0.037 0.024 19 0 "[ . 1 . 2]"
1 13 ARG 1.834 0.269 19 0 "[ . 1 . 2]"
1 14 LYS 0.211 0.079 19 0 "[ . 1 . 2]"
1 15 LYS 1.070 0.158 13 0 "[ . 1 . 2]"
1 16 ARG 0.241 0.063 13 0 "[ . 1 . 2]"
1 17 ILE 1.746 0.106 14 0 "[ . 1 . 2]"
1 18 SER 1.662 0.106 14 0 "[ . 1 . 2]"
1 19 VAL 0.227 0.069 20 0 "[ . 1 . 2]"
1 20 LYS 0.774 0.284 17 0 "[ . 1 . 2]"
1 21 LYS 0.227 0.079 20 0 "[ . 1 . 2]"
1 22 LYS 0.444 0.274 18 0 "[ . 1 . 2]"
1 23 GLN 1.417 0.284 17 0 "[ . 1 . 2]"
1 24 GLU 0.025 0.025 14 0 "[ . 1 . 2]"
1 25 GLN 0.000 0.000 . 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 VAL HB 1 2 SER H . . 4.080 3.705 2.702 4.071 . 0 0 "[ . 1 . 2]" 1
2 1 1 VAL QG 1 2 SER H . . 4.640 2.479 1.958 3.438 . 0 0 "[ . 1 . 2]" 1
3 1 2 SER H 1 2 SER QB . . 2.620 2.352 2.208 2.601 . 0 0 "[ . 1 . 2]" 1
4 1 2 SER H 1 3 VAL H . . 4.540 2.391 2.388 2.392 . 0 0 "[ . 1 . 2]" 1
5 1 2 SER HA 1 4 ASP H . . 4.480 3.952 3.945 3.966 . 0 0 "[ . 1 . 2]" 1
6 1 2 SER QB 1 3 VAL H . . 3.760 3.197 3.027 3.665 . 0 0 "[ . 1 . 2]" 1
7 1 3 VAL H 1 3 VAL HB . . 3.740 3.218 2.545 3.648 . 0 0 "[ . 1 . 2]" 1
8 1 3 VAL H 1 3 VAL QG . . 3.190 2.032 1.853 2.376 . 0 0 "[ . 1 . 2]" 1
9 1 3 VAL H 1 4 ASP H . . 3.450 2.361 2.358 2.363 . 0 0 "[ . 1 . 2]" 1
10 1 3 VAL H 1 4 ASP HA . . 4.990 4.936 4.933 4.944 . 0 0 "[ . 1 . 2]" 1
11 1 3 VAL H 1 4 ASP HB2 . . 5.500 4.130 4.128 4.133 . 0 0 "[ . 1 . 2]" 1
12 1 3 VAL H 1 4 ASP HB3 . . 5.500 5.524 5.512 5.542 0.042 1 0 "[ . 1 . 2]" 1
13 1 3 VAL H 1 5 PRO HD2 . . 3.660 3.306 3.279 3.315 . 0 0 "[ . 1 . 2]" 1
14 1 3 VAL H 1 5 PRO HG3 . . 5.500 5.428 5.388 5.442 . 0 0 "[ . 1 . 2]" 1
15 1 3 VAL HA 1 6 PHE H . . 4.950 3.265 3.244 3.295 . 0 0 "[ . 1 . 2]" 1
16 1 3 VAL HB 1 4 ASP H . . 4.090 3.682 3.037 4.072 . 0 0 "[ . 1 . 2]" 1
17 1 4 ASP H 1 4 ASP HB2 . . 3.180 2.066 2.066 2.068 . 0 0 "[ . 1 . 2]" 1
18 1 4 ASP H 1 4 ASP HB3 . . 3.350 3.263 3.251 3.280 . 0 0 "[ . 1 . 2]" 1
19 1 4 ASP H 1 5 PRO HD2 . . 3.180 2.000 1.996 2.002 . 0 0 "[ . 1 . 2]" 1
20 1 4 ASP H 1 5 PRO HG3 . . 4.750 4.572 4.565 4.574 . 0 0 "[ . 1 . 2]" 1
21 1 4 ASP H 1 6 PHE H . . 5.240 3.923 3.878 3.966 . 0 0 "[ . 1 . 2]" 1
22 1 4 ASP H 1 7 TYR H . . 5.500 5.087 4.973 5.168 . 0 0 "[ . 1 . 2]" 1
23 1 4 ASP H 1 7 TYR QE . . 5.500 5.143 5.013 5.511 0.011 19 0 "[ . 1 . 2]" 1
24 1 4 ASP HA 1 6 PHE H . . 4.470 4.403 4.295 4.504 0.034 20 0 "[ . 1 . 2]" 1
25 1 4 ASP HA 1 7 TYR H . . 4.540 4.183 4.109 4.288 . 0 0 "[ . 1 . 2]" 1
26 1 4 ASP HA 1 8 GLU H . . 5.050 4.536 4.497 4.583 . 0 0 "[ . 1 . 2]" 1
27 1 4 ASP HB3 1 5 PRO HD2 . . 4.020 3.248 3.225 3.279 . 0 0 "[ . 1 . 2]" 1
28 1 4 ASP HB3 1 6 PHE H . . 5.040 4.871 4.820 4.917 . 0 0 "[ . 1 . 2]" 1
29 1 4 ASP HB3 1 7 TYR QD . . 5.250 4.771 4.668 4.865 . 0 0 "[ . 1 . 2]" 1
30 1 4 ASP HB3 1 7 TYR QE . . 4.890 4.211 4.108 4.498 . 0 0 "[ . 1 . 2]" 1
31 1 4 ASP HB3 1 8 GLU H . . 5.500 5.577 5.536 5.626 0.126 1 0 "[ . 1 . 2]" 1
32 1 5 PRO HB2 1 6 PHE HA . . 4.310 4.076 4.047 4.108 . 0 0 "[ . 1 . 2]" 1
33 1 5 PRO HB2 1 6 PHE QD . . 5.500 5.563 5.518 5.651 0.151 19 0 "[ . 1 . 2]" 1
34 1 5 PRO HB3 1 6 PHE H . . 4.300 4.151 4.106 4.199 . 0 0 "[ . 1 . 2]" 1
35 1 5 PRO HB3 1 8 GLU H . . 5.500 5.530 5.475 5.583 0.083 13 0 "[ . 1 . 2]" 1
36 1 5 PRO HB3 1 9 MET H . . 5.500 5.534 5.436 5.579 0.079 20 0 "[ . 1 . 2]" 1
37 1 5 PRO HD2 1 6 PHE H . . 3.800 2.648 2.645 2.656 . 0 0 "[ . 1 . 2]" 1
38 1 5 PRO HD2 1 7 TYR H . . 5.100 4.825 4.690 4.907 . 0 0 "[ . 1 . 2]" 1
39 1 5 PRO HG2 1 6 PHE H . . 3.810 2.392 2.297 2.500 . 0 0 "[ . 1 . 2]" 1
40 1 5 PRO HG2 1 6 PHE QD . . 5.440 4.802 4.702 5.015 . 0 0 "[ . 1 . 2]" 1
41 1 5 PRO HG2 1 7 TYR H . . 5.500 5.257 5.123 5.332 . 0 0 "[ . 1 . 2]" 1
42 1 5 PRO HG3 1 6 PHE H . . 4.140 3.897 3.827 3.978 . 0 0 "[ . 1 . 2]" 1
43 1 6 PHE H 1 6 PHE HB2 . . 2.980 2.311 2.277 2.385 . 0 0 "[ . 1 . 2]" 1
44 1 6 PHE H 1 6 PHE HB3 . . 3.110 2.773 2.684 2.815 . 0 0 "[ . 1 . 2]" 1
45 1 6 PHE H 1 6 PHE QD . . 4.130 4.076 4.038 4.132 0.002 19 0 "[ . 1 . 2]" 1
46 1 6 PHE H 1 7 TYR H . . 3.140 2.871 2.822 2.947 . 0 0 "[ . 1 . 2]" 1
47 1 6 PHE H 1 8 GLU H . . 4.330 3.670 3.615 3.696 . 0 0 "[ . 1 . 2]" 1
48 1 6 PHE H 1 8 GLU QG . . 5.500 5.319 5.199 5.499 . 0 0 "[ . 1 . 2]" 1
49 1 6 PHE H 1 9 MET H . . 4.810 4.676 4.634 4.698 . 0 0 "[ . 1 . 2]" 1
50 1 6 PHE H 1 9 MET HG2 . . 5.500 4.628 4.506 4.945 . 0 0 "[ . 1 . 2]" 1
51 1 6 PHE HA 1 6 PHE QD . . 3.180 2.860 2.698 2.992 . 0 0 "[ . 1 . 2]" 1
52 1 6 PHE HA 1 6 PHE QE . . 4.670 4.523 4.480 4.565 . 0 0 "[ . 1 . 2]" 1
53 1 6 PHE HA 1 8 GLU H . . 4.370 4.106 4.039 4.162 . 0 0 "[ . 1 . 2]" 1
54 1 6 PHE HA 1 9 MET H . . 3.830 3.799 3.729 3.840 0.010 2 0 "[ . 1 . 2]" 1
55 1 6 PHE HA 1 9 MET HG2 . . 4.600 2.588 2.412 2.846 . 0 0 "[ . 1 . 2]" 1
56 1 6 PHE HA 1 10 LEU H . . 4.810 4.064 3.958 4.123 . 0 0 "[ . 1 . 2]" 1
57 1 6 PHE HA 1 10 LEU QD . . 5.440 3.133 2.685 3.549 . 0 0 "[ . 1 . 2]" 1
58 1 6 PHE HB3 1 7 TYR H . . 3.390 2.194 2.078 2.299 . 0 0 "[ . 1 . 2]" 1
59 1 6 PHE HB3 1 8 GLU H . . 4.770 4.407 4.339 4.464 . 0 0 "[ . 1 . 2]" 1
60 1 6 PHE HB3 1 9 MET H . . 5.500 5.589 5.543 5.623 0.123 7 0 "[ . 1 . 2]" 1
61 1 6 PHE QD 1 7 TYR H . . 4.680 3.452 3.259 3.561 . 0 0 "[ . 1 . 2]" 1
62 1 6 PHE QD 1 7 TYR HA . . 4.170 3.438 3.292 3.578 . 0 0 "[ . 1 . 2]" 1
63 1 6 PHE QD 1 9 MET HG2 . . 5.070 4.728 4.509 4.840 . 0 0 "[ . 1 . 2]" 1
64 1 6 PHE QD 1 9 MET HG3 . . 5.500 5.317 5.068 5.502 0.002 12 0 "[ . 1 . 2]" 1
65 1 6 PHE QD 1 10 LEU HB2 . . 4.880 3.958 3.667 4.274 . 0 0 "[ . 1 . 2]" 1
66 1 6 PHE QD 1 10 LEU QD . . 3.630 3.243 2.582 3.673 0.043 12 0 "[ . 1 . 2]" 1
67 1 6 PHE QD 1 13 ARG HB2 . . 4.830 4.341 3.890 4.749 . 0 0 "[ . 1 . 2]" 1
68 1 6 PHE QD 1 13 ARG HB3 . . 5.130 4.102 3.965 4.468 . 0 0 "[ . 1 . 2]" 1
69 1 6 PHE QD 1 13 ARG QD . . 3.630 3.067 1.951 3.673 0.043 5 0 "[ . 1 . 2]" 1
70 1 6 PHE QD 1 13 ARG QG . . 5.250 2.401 1.989 3.632 . 0 0 "[ . 1 . 2]" 1
71 1 6 PHE QE 1 7 TYR HA . . 5.370 5.124 4.884 5.251 . 0 0 "[ . 1 . 2]" 1
72 1 6 PHE QE 1 10 LEU HB2 . . 4.890 4.547 4.301 4.798 . 0 0 "[ . 1 . 2]" 1
73 1 6 PHE QE 1 10 LEU QD . . 3.580 3.080 2.508 3.599 0.019 14 0 "[ . 1 . 2]" 1
74 1 6 PHE QE 1 13 ARG HA . . 5.500 5.541 5.511 5.720 0.220 19 0 "[ . 1 . 2]" 1
75 1 6 PHE QE 1 13 ARG QD . . 4.240 3.215 1.938 4.061 . 0 0 "[ . 1 . 2]" 1
76 1 7 TYR H 1 7 TYR HB2 . . 3.620 3.502 3.459 3.533 . 0 0 "[ . 1 . 2]" 1
77 1 7 TYR H 1 7 TYR HB3 . . 2.980 2.202 2.148 2.247 . 0 0 "[ . 1 . 2]" 1
78 1 7 TYR H 1 8 GLU H . . 3.250 2.496 2.451 2.563 . 0 0 "[ . 1 . 2]" 1
79 1 7 TYR H 1 8 GLU HA . . 5.210 5.080 5.039 5.140 . 0 0 "[ . 1 . 2]" 1
80 1 7 TYR H 1 8 GLU QB . . 4.330 4.265 4.218 4.332 0.002 13 0 "[ . 1 . 2]" 1
81 1 7 TYR H 1 8 GLU QG . . 4.990 4.712 4.624 4.872 . 0 0 "[ . 1 . 2]" 1
82 1 7 TYR H 1 9 MET H . . 4.460 4.345 4.290 4.419 . 0 0 "[ . 1 . 2]" 1
83 1 7 TYR H 1 9 MET HG2 . . 5.500 4.713 4.599 4.858 . 0 0 "[ . 1 . 2]" 1
84 1 7 TYR H 1 10 LEU H . . 4.960 4.803 4.766 4.850 . 0 0 "[ . 1 . 2]" 1
85 1 7 TYR H 1 10 LEU HB2 . . 5.120 4.839 4.739 4.925 . 0 0 "[ . 1 . 2]" 1
86 1 7 TYR H 1 10 LEU QD . . 5.110 4.799 4.331 5.139 0.029 16 0 "[ . 1 . 2]" 1
87 1 7 TYR H 1 13 ARG HB3 . . 4.850 4.557 4.421 4.841 . 0 0 "[ . 1 . 2]" 1
88 1 7 TYR H 1 13 ARG QG . . 4.920 4.408 4.112 4.797 . 0 0 "[ . 1 . 2]" 1
89 1 7 TYR H 1 13 ARG HH11 . . 3.970 3.661 3.387 4.018 0.048 8 0 "[ . 1 . 2]" 1
90 1 7 TYR HA 1 7 TYR QD . . 4.000 3.615 3.561 3.650 . 0 0 "[ . 1 . 2]" 1
91 1 7 TYR HA 1 10 LEU H . . 3.870 3.513 3.458 3.592 . 0 0 "[ . 1 . 2]" 1
92 1 7 TYR HA 1 13 ARG QG . . 3.420 2.704 2.344 3.454 0.034 19 0 "[ . 1 . 2]" 1
93 1 7 TYR HA 1 13 ARG HH11 . . 3.210 2.976 2.806 3.235 0.025 20 0 "[ . 1 . 2]" 1
94 1 7 TYR HA 1 14 LYS QG . . 5.210 4.035 3.786 4.592 . 0 0 "[ . 1 . 2]" 1
95 1 7 TYR HB2 1 8 GLU H . . 4.510 4.348 4.312 4.388 . 0 0 "[ . 1 . 2]" 1
96 1 7 TYR HB2 1 13 ARG HH11 . . 3.180 2.488 1.959 3.233 0.053 20 0 "[ . 1 . 2]" 1
97 1 7 TYR HB3 1 8 GLU H . . 3.960 3.807 3.734 3.874 . 0 0 "[ . 1 . 2]" 1
98 1 7 TYR HB3 1 13 ARG HH11 . . 3.110 2.371 2.063 3.117 0.007 20 0 "[ . 1 . 2]" 1
99 1 7 TYR QD 1 8 GLU HA . . 4.660 3.930 3.803 3.988 . 0 0 "[ . 1 . 2]" 1
100 1 7 TYR QD 1 8 GLU QB . . 5.500 4.122 3.986 4.203 . 0 0 "[ . 1 . 2]" 1
101 1 7 TYR QD 1 8 GLU QG . . 5.030 3.390 3.115 3.661 . 0 0 "[ . 1 . 2]" 1
102 1 7 TYR QD 1 14 LYS QG . . 4.010 2.359 1.963 3.038 . 0 0 "[ . 1 . 2]" 1
103 1 7 TYR QD 1 17 ILE MD . . 4.020 2.469 2.302 2.799 . 0 0 "[ . 1 . 2]" 1
104 1 7 TYR QD 1 17 ILE HG13 . . 4.420 2.646 2.148 3.233 . 0 0 "[ . 1 . 2]" 1
105 1 7 TYR QE 1 8 GLU H . . 4.560 4.367 4.276 4.499 . 0 0 "[ . 1 . 2]" 1
106 1 7 TYR QE 1 8 GLU HA . . 4.480 4.093 3.988 4.181 . 0 0 "[ . 1 . 2]" 1
107 1 7 TYR QE 1 8 GLU QB . . 4.540 4.340 4.287 4.425 . 0 0 "[ . 1 . 2]" 1
108 1 7 TYR QE 1 8 GLU QG . . 4.330 2.704 2.447 2.959 . 0 0 "[ . 1 . 2]" 1
109 1 7 TYR QE 1 14 LYS QD . . 5.500 4.745 4.011 5.504 0.004 2 0 "[ . 1 . 2]" 1
110 1 7 TYR QE 1 14 LYS QG . . 4.060 3.100 2.637 3.742 . 0 0 "[ . 1 . 2]" 1
111 1 7 TYR QE 1 15 LYS H . . 5.500 5.525 5.503 5.550 0.050 8 0 "[ . 1 . 2]" 1
112 1 7 TYR QE 1 17 ILE H . . 5.500 5.005 4.817 5.273 . 0 0 "[ . 1 . 2]" 1
113 1 7 TYR QE 1 17 ILE HA . . 5.500 5.186 4.771 5.511 0.011 19 0 "[ . 1 . 2]" 1
114 1 7 TYR QE 1 17 ILE HB . . 3.590 3.072 2.584 3.595 0.005 9 0 "[ . 1 . 2]" 1
115 1 7 TYR QE 1 17 ILE MD . . 3.490 2.276 1.969 2.561 . 0 0 "[ . 1 . 2]" 1
116 1 7 TYR QE 1 17 ILE HG13 . . 4.160 2.336 1.997 2.855 . 0 0 "[ . 1 . 2]" 1
117 1 8 GLU H 1 8 GLU QB . . 2.870 2.143 2.110 2.155 . 0 0 "[ . 1 . 2]" 1
118 1 8 GLU H 1 8 GLU QG . . 3.340 3.030 2.983 3.107 . 0 0 "[ . 1 . 2]" 1
119 1 8 GLU H 1 9 MET H . . 3.480 2.490 2.431 2.533 . 0 0 "[ . 1 . 2]" 1
120 1 8 GLU H 1 9 MET HG2 . . 4.920 3.878 3.691 3.985 . 0 0 "[ . 1 . 2]" 1
121 1 8 GLU H 1 10 LEU QD . . 5.410 5.031 4.791 5.407 . 0 0 "[ . 1 . 2]" 1
122 1 8 GLU QB 1 9 MET H . . 3.100 2.671 2.645 2.699 . 0 0 "[ . 1 . 2]" 1
123 1 9 MET H 1 9 MET HB3 . . 3.020 2.621 2.577 2.701 . 0 0 "[ . 1 . 2]" 1
124 1 9 MET H 1 9 MET HG2 . . 3.570 2.075 1.933 2.178 . 0 0 "[ . 1 . 2]" 1
125 1 9 MET H 1 9 MET HG3 . . 3.660 3.427 3.324 3.661 0.001 12 0 "[ . 1 . 2]" 1
126 1 9 MET H 1 10 LEU H . . 3.690 2.429 2.415 2.452 . 0 0 "[ . 1 . 2]" 1
127 1 9 MET HA 1 10 LEU QD . . 5.380 4.800 4.477 5.360 . 0 0 "[ . 1 . 2]" 1
128 1 9 MET HG2 1 10 LEU H . . 4.570 2.199 1.939 2.393 . 0 0 "[ . 1 . 2]" 1
129 1 9 MET HG2 1 10 LEU HA . . 5.500 4.464 4.069 4.625 . 0 0 "[ . 1 . 2]" 1
130 1 9 MET HG3 1 10 LEU H . . 3.720 2.516 2.347 2.869 . 0 0 "[ . 1 . 2]" 1
131 1 10 LEU H 1 10 LEU HB2 . . 3.060 2.168 2.105 2.282 . 0 0 "[ . 1 . 2]" 1
132 1 10 LEU H 1 10 LEU HB3 . . 3.530 3.464 3.392 3.555 0.025 2 0 "[ . 1 . 2]" 1
133 1 10 LEU H 1 10 LEU QD . . 3.580 2.657 2.338 3.357 . 0 0 "[ . 1 . 2]" 1
134 1 10 LEU H 1 10 LEU HG . . 4.710 3.813 2.804 4.278 . 0 0 "[ . 1 . 2]" 1
135 1 10 LEU H 1 11 ALA H . . 5.450 4.529 4.482 4.548 . 0 0 "[ . 1 . 2]" 1
136 1 10 LEU HA 1 10 LEU HG . . 3.760 3.008 2.211 3.656 . 0 0 "[ . 1 . 2]" 1
137 1 10 LEU HB2 1 11 ALA H . . 5.050 4.372 4.302 4.470 . 0 0 "[ . 1 . 2]" 1
138 1 10 LEU HB2 1 13 ARG HH11 . . 5.500 4.993 4.846 5.132 . 0 0 "[ . 1 . 2]" 1
139 1 11 ALA H 1 12 ALA MB . . 5.480 4.069 3.967 4.159 . 0 0 "[ . 1 . 2]" 1
140 1 11 ALA HA 1 14 LYS QD . . 4.490 2.539 1.930 2.911 . 0 0 "[ . 1 . 2]" 1
141 1 11 ALA MB 1 12 ALA H . . 3.010 2.699 2.302 3.034 0.024 19 0 "[ . 1 . 2]" 1
142 1 11 ALA MB 1 12 ALA HA . . 3.910 3.790 3.681 3.916 0.006 2 0 "[ . 1 . 2]" 1
143 1 12 ALA H 1 12 ALA MB . . 2.550 2.126 2.029 2.275 . 0 0 "[ . 1 . 2]" 1
144 1 13 ARG H 1 13 ARG HA . . 2.890 2.849 2.796 2.877 . 0 0 "[ . 1 . 2]" 1
145 1 13 ARG H 1 13 ARG HB2 . . 2.700 2.131 2.072 2.237 . 0 0 "[ . 1 . 2]" 1
146 1 13 ARG H 1 13 ARG HB3 . . 4.030 3.398 3.167 3.526 . 0 0 "[ . 1 . 2]" 1
147 1 13 ARG H 1 13 ARG QD . . 4.760 4.321 3.506 4.716 . 0 0 "[ . 1 . 2]" 1
148 1 13 ARG H 1 13 ARG QG . . 3.520 3.156 2.811 3.789 0.269 19 0 "[ . 1 . 2]" 1
149 1 13 ARG H 1 14 LYS H . . 4.100 2.540 2.426 2.660 . 0 0 "[ . 1 . 2]" 1
150 1 13 ARG HA 1 13 ARG HH11 . . 5.000 4.339 3.696 5.040 0.040 19 0 "[ . 1 . 2]" 1
151 1 13 ARG HB3 1 13 ARG HH11 . . 3.750 2.619 1.942 3.259 . 0 0 "[ . 1 . 2]" 1
152 1 13 ARG QD 1 13 ARG HH11 . . 3.250 1.882 1.728 2.113 . 0 0 "[ . 1 . 2]" 1
153 1 13 ARG QG 1 13 ARG HH11 . . 3.640 2.702 1.936 3.413 . 0 0 "[ . 1 . 2]" 1
154 1 14 LYS H 1 14 LYS QD . . 3.650 3.552 2.254 3.729 0.079 19 0 "[ . 1 . 2]" 1
155 1 14 LYS H 1 14 LYS QE . . 5.430 4.673 4.062 5.128 . 0 0 "[ . 1 . 2]" 1
156 1 14 LYS H 1 14 LYS QG . . 3.950 2.209 2.026 3.050 . 0 0 "[ . 1 . 2]" 1
157 1 14 LYS H 1 17 ILE HG13 . . 5.220 4.693 4.561 4.898 . 0 0 "[ . 1 . 2]" 1
158 1 14 LYS H 1 18 SER QB . . 4.650 4.179 4.017 4.681 0.031 14 0 "[ . 1 . 2]" 1
159 1 14 LYS HA 1 15 LYS H . . 2.550 2.192 2.164 2.234 . 0 0 "[ . 1 . 2]" 1
160 1 14 LYS HA 1 17 ILE H . . 4.470 4.047 3.881 4.240 . 0 0 "[ . 1 . 2]" 1
161 1 14 LYS HA 1 17 ILE HG12 . . 4.450 2.443 2.333 2.588 . 0 0 "[ . 1 . 2]" 1
162 1 14 LYS HA 1 18 SER H . . 3.980 3.778 3.709 3.873 . 0 0 "[ . 1 . 2]" 1
163 1 14 LYS QB 1 18 SER H . . 3.680 2.284 2.186 2.425 . 0 0 "[ . 1 . 2]" 1
164 1 14 LYS QB 1 18 SER HA . . 4.970 2.792 2.694 2.866 . 0 0 "[ . 1 . 2]" 1
165 1 14 LYS HB2 1 15 LYS H . . 4.470 4.448 4.421 4.498 0.028 5 0 "[ . 1 . 2]" 1
166 1 14 LYS HB3 1 15 LYS H . . 4.470 3.859 3.750 3.975 . 0 0 "[ . 1 . 2]" 1
167 1 14 LYS QD 1 18 SER H . . 5.500 4.471 4.031 5.312 . 0 0 "[ . 1 . 2]" 1
168 1 14 LYS QD 1 18 SER QB . . 4.570 3.197 3.014 3.920 . 0 0 "[ . 1 . 2]" 1
169 1 15 LYS H 1 15 LYS QB . . 3.000 2.350 2.241 2.465 . 0 0 "[ . 1 . 2]" 1
170 1 15 LYS H 1 15 LYS QD . . 3.620 3.391 2.639 3.778 0.158 13 0 "[ . 1 . 2]" 1
171 1 15 LYS H 1 15 LYS QE . . 4.650 4.239 2.048 4.656 0.006 16 0 "[ . 1 . 2]" 1
172 1 15 LYS H 1 15 LYS QG . . 2.840 2.625 2.280 2.843 0.003 10 0 "[ . 1 . 2]" 1
173 1 15 LYS H 1 16 ARG H . . 3.240 2.975 2.918 3.060 . 0 0 "[ . 1 . 2]" 1
174 1 15 LYS H 1 17 ILE H . . 3.570 3.413 3.248 3.578 0.008 15 0 "[ . 1 . 2]" 1
175 1 15 LYS H 1 17 ILE MD . . 3.730 2.066 1.880 2.246 . 0 0 "[ . 1 . 2]" 1
176 1 15 LYS H 1 17 ILE HG12 . . 3.090 3.003 2.873 3.094 0.004 20 0 "[ . 1 . 2]" 1
177 1 15 LYS H 1 17 ILE MG . . 5.290 4.640 4.456 4.771 . 0 0 "[ . 1 . 2]" 1
178 1 15 LYS HA 1 15 LYS QG . . 3.950 2.591 2.331 2.973 . 0 0 "[ . 1 . 2]" 1
179 1 15 LYS QB 1 16 ARG H . . 2.660 1.904 1.798 2.027 . 0 0 "[ . 1 . 2]" 1
180 1 15 LYS QE 1 16 ARG H . . 5.370 4.506 2.951 5.433 0.063 13 0 "[ . 1 . 2]" 1
181 1 15 LYS QG 1 16 ARG H . . 4.500 3.889 3.671 4.018 . 0 0 "[ . 1 . 2]" 1
182 1 16 ARG H 1 16 ARG QB . . 3.390 2.276 2.115 2.488 . 0 0 "[ . 1 . 2]" 1
183 1 16 ARG H 1 16 ARG QD . . 4.660 4.174 3.492 4.559 . 0 0 "[ . 1 . 2]" 1
184 1 16 ARG H 1 16 ARG QG . . 4.630 3.227 2.217 4.091 . 0 0 "[ . 1 . 2]" 1
185 1 16 ARG H 1 17 ILE H . . 3.240 2.387 2.335 2.414 . 0 0 "[ . 1 . 2]" 1
186 1 16 ARG H 1 17 ILE MD . . 3.910 2.920 2.858 2.984 . 0 0 "[ . 1 . 2]" 1
187 1 16 ARG H 1 17 ILE HG12 . . 4.540 3.840 3.768 3.898 . 0 0 "[ . 1 . 2]" 1
188 1 16 ARG H 1 17 ILE MG . . 4.780 4.210 4.110 4.278 . 0 0 "[ . 1 . 2]" 1
189 1 16 ARG H 1 18 SER H . . 4.330 4.088 3.995 4.187 . 0 0 "[ . 1 . 2]" 1
190 1 16 ARG H 1 19 VAL MG1 . . 5.490 4.513 4.435 4.664 . 0 0 "[ . 1 . 2]" 1
191 1 16 ARG HA 1 16 ARG HH11 . . 4.770 4.240 2.040 4.769 . 0 0 "[ . 1 . 2]" 1
192 1 16 ARG HA 1 17 ILE MD . . 5.130 4.781 4.720 4.839 . 0 0 "[ . 1 . 2]" 1
193 1 16 ARG HA 1 17 ILE MG . . 5.370 5.226 5.171 5.276 . 0 0 "[ . 1 . 2]" 1
194 1 16 ARG HA 1 18 SER H . . 4.400 4.167 4.114 4.213 . 0 0 "[ . 1 . 2]" 1
195 1 16 ARG HA 1 18 SER QB . . 4.840 4.668 4.566 4.750 . 0 0 "[ . 1 . 2]" 1
196 1 16 ARG HA 1 19 VAL H . . 3.770 3.751 3.711 3.783 0.013 5 0 "[ . 1 . 2]" 1
197 1 16 ARG HA 1 19 VAL MG1 . . 3.700 2.272 2.203 2.409 . 0 0 "[ . 1 . 2]" 1
198 1 16 ARG HA 1 20 LYS H . . 4.150 4.043 3.839 4.161 0.011 4 0 "[ . 1 . 2]" 1
199 1 16 ARG QB 1 16 ARG HH11 . . 3.510 2.838 1.995 3.502 . 0 0 "[ . 1 . 2]" 1
200 1 16 ARG QB 1 17 ILE H . . 4.100 2.826 2.600 3.046 . 0 0 "[ . 1 . 2]" 1
201 1 16 ARG QB 1 18 SER H . . 5.280 4.786 4.641 4.960 . 0 0 "[ . 1 . 2]" 1
202 1 16 ARG QB 1 20 LYS H . . 5.340 4.801 4.443 5.299 . 0 0 "[ . 1 . 2]" 1
203 1 16 ARG HB2 1 16 ARG HH11 . . 4.250 3.455 2.410 4.193 . 0 0 "[ . 1 . 2]" 1
204 1 16 ARG HB3 1 16 ARG HH11 . . 4.250 3.244 2.019 4.185 . 0 0 "[ . 1 . 2]" 1
205 1 16 ARG QD 1 16 ARG HH11 . . 2.830 2.050 1.940 2.109 . 0 0 "[ . 1 . 2]" 1
206 1 16 ARG QD 1 17 ILE H . . 5.120 4.878 4.204 5.116 . 0 0 "[ . 1 . 2]" 1
207 1 16 ARG QD 1 20 LYS H . . 5.500 4.875 3.423 5.483 . 0 0 "[ . 1 . 2]" 1
208 1 16 ARG QG 1 16 ARG HH11 . . 3.780 2.203 1.937 2.799 . 0 0 "[ . 1 . 2]" 1
209 1 17 ILE H 1 17 ILE MD . . 3.550 1.896 1.876 1.919 . 0 0 "[ . 1 . 2]" 1
210 1 17 ILE H 1 17 ILE HG12 . . 4.760 2.113 2.025 2.198 . 0 0 "[ . 1 . 2]" 1
211 1 17 ILE H 1 17 ILE HG13 . . 3.560 3.492 3.438 3.543 . 0 0 "[ . 1 . 2]" 1
212 1 17 ILE H 1 17 ILE MG . . 3.490 2.549 2.453 2.651 . 0 0 "[ . 1 . 2]" 1
213 1 17 ILE H 1 18 SER H . . 3.150 2.620 2.505 2.721 . 0 0 "[ . 1 . 2]" 1
214 1 17 ILE H 1 18 SER HA . . 5.310 5.220 5.122 5.306 . 0 0 "[ . 1 . 2]" 1
215 1 17 ILE HA 1 17 ILE HG12 . . 3.930 3.535 3.530 3.539 . 0 0 "[ . 1 . 2]" 1
216 1 17 ILE HA 1 18 SER QB . . 5.110 5.191 5.186 5.216 0.106 14 0 "[ . 1 . 2]" 1
217 1 17 ILE HA 1 19 VAL MG1 . . 4.880 4.415 4.273 4.629 . 0 0 "[ . 1 . 2]" 1
218 1 17 ILE HA 1 20 LYS H . . 3.970 3.598 3.510 3.705 . 0 0 "[ . 1 . 2]" 1
219 1 17 ILE HA 1 20 LYS HB2 . . 4.200 3.379 2.271 3.812 . 0 0 "[ . 1 . 2]" 1
220 1 17 ILE HA 1 20 LYS HB3 . . 4.200 2.529 2.208 3.735 . 0 0 "[ . 1 . 2]" 1
221 1 17 ILE HA 1 21 LYS H . . 4.540 3.971 3.764 4.171 . 0 0 "[ . 1 . 2]" 1
222 1 17 ILE HB 1 18 SER H . . 3.590 3.563 3.542 3.588 . 0 0 "[ . 1 . 2]" 1
223 1 17 ILE MD 1 18 SER H . . 4.010 3.500 3.485 3.522 . 0 0 "[ . 1 . 2]" 1
224 1 17 ILE HG12 1 18 SER H . . 3.800 1.890 1.873 1.904 . 0 0 "[ . 1 . 2]" 1
225 1 17 ILE HG12 1 18 SER HA . . 4.870 3.966 3.940 4.002 . 0 0 "[ . 1 . 2]" 1
226 1 17 ILE HG13 1 18 SER H . . 3.480 3.400 3.363 3.431 . 0 0 "[ . 1 . 2]" 1
227 1 17 ILE HG13 1 18 SER HA . . 5.110 4.544 4.506 4.588 . 0 0 "[ . 1 . 2]" 1
228 1 17 ILE MG 1 18 SER H . . 4.150 4.102 4.092 4.112 . 0 0 "[ . 1 . 2]" 1
229 1 17 ILE MG 1 20 LYS H . . 5.500 5.239 5.171 5.316 . 0 0 "[ . 1 . 2]" 1
230 1 17 ILE MG 1 21 LYS H . . 5.500 5.329 5.161 5.530 0.030 17 0 "[ . 1 . 2]" 1
231 1 18 SER H 1 18 SER QB . . 3.240 2.172 2.053 2.193 . 0 0 "[ . 1 . 2]" 1
232 1 18 SER HA 1 19 VAL MG1 . . 5.500 4.918 4.899 5.029 . 0 0 "[ . 1 . 2]" 1
233 1 18 SER HA 1 20 LYS H . . 4.780 4.525 4.498 4.626 . 0 0 "[ . 1 . 2]" 1
234 1 18 SER HA 1 21 LYS H . . 4.170 3.668 3.550 3.793 . 0 0 "[ . 1 . 2]" 1
235 1 18 SER HA 1 21 LYS QB . . 3.750 2.938 2.730 3.140 . 0 0 "[ . 1 . 2]" 1
236 1 18 SER HA 1 21 LYS QD . . 5.500 4.558 3.603 5.507 0.007 15 0 "[ . 1 . 2]" 1
237 1 18 SER HA 1 21 LYS QG . . 5.430 4.463 3.477 5.094 . 0 0 "[ . 1 . 2]" 1
238 1 18 SER HA 1 22 LYS H . . 4.510 4.391 3.994 4.513 0.003 17 0 "[ . 1 . 2]" 1
239 1 19 VAL H 1 19 VAL HB . . 2.960 2.601 2.528 2.613 . 0 0 "[ . 1 . 2]" 1
240 1 19 VAL H 1 19 VAL MG1 . . 3.250 1.929 1.908 2.066 . 0 0 "[ . 1 . 2]" 1
241 1 19 VAL H 1 20 LYS H . . 3.850 2.692 2.633 2.709 . 0 0 "[ . 1 . 2]" 1
242 1 19 VAL HA 1 21 LYS H . . 4.580 4.150 3.794 4.389 . 0 0 "[ . 1 . 2]" 1
243 1 19 VAL HA 1 22 LYS H . . 3.940 3.441 3.209 3.534 . 0 0 "[ . 1 . 2]" 1
244 1 19 VAL HA 1 22 LYS QB . . 4.210 2.974 2.082 4.219 0.009 16 0 "[ . 1 . 2]" 1
245 1 19 VAL HA 1 22 LYS QD . . 4.780 3.684 2.223 4.765 . 0 0 "[ . 1 . 2]" 1
246 1 19 VAL HA 1 22 LYS QG . . 4.800 3.612 1.954 4.763 . 0 0 "[ . 1 . 2]" 1
247 1 19 VAL HB 1 20 LYS H . . 4.040 3.950 3.905 3.959 . 0 0 "[ . 1 . 2]" 1
248 1 19 VAL MG1 1 20 LYS H . . 3.440 2.044 1.975 2.052 . 0 0 "[ . 1 . 2]" 1
249 1 19 VAL MG1 1 20 LYS HA . . 3.820 3.273 3.148 3.327 . 0 0 "[ . 1 . 2]" 1
250 1 19 VAL MG1 1 21 LYS H . . 4.280 4.181 4.013 4.271 . 0 0 "[ . 1 . 2]" 1
251 1 19 VAL MG1 1 22 LYS H . . 5.320 5.067 4.713 5.263 . 0 0 "[ . 1 . 2]" 1
252 1 19 VAL MG1 1 23 GLN HE21 . . 4.530 4.352 3.160 4.599 0.069 20 0 "[ . 1 . 2]" 1
253 1 19 VAL MG2 1 20 LYS H . . 3.720 3.531 3.476 3.679 . 0 0 "[ . 1 . 2]" 1
254 1 19 VAL MG2 1 20 LYS HA . . 4.630 3.584 3.448 3.777 . 0 0 "[ . 1 . 2]" 1
255 1 19 VAL MG2 1 21 LYS H . . 5.290 4.871 4.597 5.040 . 0 0 "[ . 1 . 2]" 1
256 1 19 VAL MG2 1 22 LYS H . . 5.090 4.560 4.197 4.737 . 0 0 "[ . 1 . 2]" 1
257 1 20 LYS H 1 20 LYS QB . . 2.850 2.240 2.220 2.261 . 0 0 "[ . 1 . 2]" 1
258 1 20 LYS H 1 20 LYS QG . . 4.210 3.858 2.578 4.044 . 0 0 "[ . 1 . 2]" 1
259 1 20 LYS H 1 21 LYS H . . 3.240 2.634 2.517 2.707 . 0 0 "[ . 1 . 2]" 1
260 1 20 LYS H 1 22 LYS H . . 4.570 4.261 3.831 4.607 0.037 17 0 "[ . 1 . 2]" 1
261 1 20 LYS H 1 23 GLN HG2 . . 5.500 5.061 4.158 5.498 . 0 0 "[ . 1 . 2]" 1
262 1 20 LYS H 1 23 GLN HG3 . . 5.500 4.779 4.266 5.784 0.284 17 0 "[ . 1 . 2]" 1
263 1 20 LYS HA 1 23 GLN H . . 3.830 3.618 3.414 3.870 0.040 20 0 "[ . 1 . 2]" 1
264 1 20 LYS HA 1 23 GLN QB . . 3.450 3.064 2.376 3.612 0.162 17 0 "[ . 1 . 2]" 1
265 1 20 LYS HA 1 23 GLN HE21 . . 5.500 3.969 2.401 4.912 . 0 0 "[ . 1 . 2]" 1
266 1 20 LYS HA 1 23 GLN HG2 . . 4.470 3.271 1.849 3.970 . 0 0 "[ . 1 . 2]" 1
267 1 20 LYS HA 1 23 GLN QG . . 3.850 2.273 1.837 2.763 . 0 0 "[ . 1 . 2]" 1
268 1 20 LYS HA 1 23 GLN HG3 . . 4.470 2.472 2.004 3.167 . 0 0 "[ . 1 . 2]" 1
269 1 20 LYS QB 1 21 LYS H . . 3.090 2.769 2.562 3.069 . 0 0 "[ . 1 . 2]" 1
270 1 20 LYS QG 1 21 LYS H . . 4.400 3.981 3.439 4.375 . 0 0 "[ . 1 . 2]" 1
271 1 21 LYS H 1 21 LYS QB . . 3.090 2.253 2.120 2.288 . 0 0 "[ . 1 . 2]" 1
272 1 21 LYS H 1 21 LYS QD . . 4.220 4.055 2.503 4.219 . 0 0 "[ . 1 . 2]" 1
273 1 21 LYS H 1 21 LYS QG . . 4.700 3.809 2.615 4.064 . 0 0 "[ . 1 . 2]" 1
274 1 21 LYS H 1 22 LYS H . . 3.220 2.554 2.390 2.702 . 0 0 "[ . 1 . 2]" 1
275 1 21 LYS H 1 22 LYS HA . . 5.310 5.180 5.013 5.301 . 0 0 "[ . 1 . 2]" 1
276 1 21 LYS H 1 23 GLN QB . . 5.090 4.885 4.394 5.169 0.079 20 0 "[ . 1 . 2]" 1
277 1 21 LYS H 1 23 GLN QG . . 5.340 4.589 3.806 5.053 . 0 0 "[ . 1 . 2]" 1
278 1 21 LYS QB 1 22 LYS H . . 3.010 2.545 2.271 3.018 0.008 14 0 "[ . 1 . 2]" 1
279 1 21 LYS QD 1 22 LYS H . . 4.880 3.708 2.711 4.881 0.001 1 0 "[ . 1 . 2]" 1
280 1 21 LYS QD 1 23 GLN H . . 5.500 5.013 4.582 5.502 0.002 15 0 "[ . 1 . 2]" 1
281 1 21 LYS QG 1 22 LYS H . . 4.710 4.087 3.532 4.411 . 0 0 "[ . 1 . 2]" 1
282 1 22 LYS H 1 22 LYS HB2 . . 4.080 2.583 2.210 3.603 . 0 0 "[ . 1 . 2]" 1
283 1 22 LYS H 1 22 LYS QB . . 3.220 2.341 2.160 2.633 . 0 0 "[ . 1 . 2]" 1
284 1 22 LYS H 1 22 LYS HB3 . . 4.080 3.173 2.181 3.608 . 0 0 "[ . 1 . 2]" 1
285 1 22 LYS H 1 22 LYS QD . . 5.250 4.036 3.341 4.584 . 0 0 "[ . 1 . 2]" 1
286 1 22 LYS H 1 22 LYS QG . . 4.890 2.778 1.901 4.033 . 0 0 "[ . 1 . 2]" 1
287 1 22 LYS H 1 23 GLN H . . 3.180 2.581 2.393 2.730 . 0 0 "[ . 1 . 2]" 1
288 1 22 LYS QB 1 23 GLN H . . 3.290 3.059 2.536 3.564 0.274 18 0 "[ . 1 . 2]" 1
289 1 22 LYS QD 1 23 GLN H . . 5.500 4.896 2.607 5.453 . 0 0 "[ . 1 . 2]" 1
290 1 22 LYS QG 1 23 GLN H . . 4.590 3.931 1.905 4.496 . 0 0 "[ . 1 . 2]" 1
291 1 23 GLN H 1 23 GLN QB . . 2.920 2.350 2.179 2.474 . 0 0 "[ . 1 . 2]" 1
292 1 23 GLN H 1 23 GLN HE21 . . 5.500 5.040 3.694 5.511 0.011 18 0 "[ . 1 . 2]" 1
293 1 23 GLN H 1 23 GLN HG2 . . 3.700 2.698 2.237 3.389 . 0 0 "[ . 1 . 2]" 1
294 1 23 GLN H 1 23 GLN QG . . 3.170 2.506 2.201 2.849 . 0 0 "[ . 1 . 2]" 1
295 1 23 GLN H 1 23 GLN HG3 . . 3.700 3.223 2.545 3.631 . 0 0 "[ . 1 . 2]" 1
296 1 23 GLN HA 1 23 GLN HE21 . . 5.220 4.787 4.155 5.255 0.035 16 0 "[ . 1 . 2]" 1
297 1 23 GLN HA 1 24 GLU H . . 3.530 2.506 2.141 3.555 0.025 14 0 "[ . 1 . 2]" 1
298 1 23 GLN QB 1 24 GLU H . . 4.860 3.013 2.041 3.793 . 0 0 "[ . 1 . 2]" 1
299 1 24 GLU H 1 24 GLU QB . . 3.070 2.331 2.164 2.558 . 0 0 "[ . 1 . 2]" 1
300 1 24 GLU H 1 24 GLU QG . . 4.200 3.135 1.949 4.078 . 0 0 "[ . 1 . 2]" 1
301 1 24 GLU QG 1 25 GLN H . . 4.690 3.372 2.097 4.371 . 0 0 "[ . 1 . 2]" 1
302 1 25 GLN H 1 25 GLN QB . . 2.840 2.297 2.152 2.635 . 0 0 "[ . 1 . 2]" 1
303 1 25 GLN H 1 25 GLN QG . . 3.660 2.741 1.930 3.555 . 0 0 "[ . 1 . 2]" 1
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