NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
560656 |
2m13   |
18840 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m13
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 264
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_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 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 ARG 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 GLY QA 1 2 PRO QD 3.400 . 3.900 2.063 2.029 2.072 . 0 0 "[ . 1 . 2]" 1
2 1 2 PRO HA 1 3 VAL H 2.700 . 3.200 2.406 2.364 2.528 . 0 0 "[ . 1 . 2]" 1
3 1 3 VAL HA 1 4 GLN H 2.700 . 3.200 2.279 2.151 2.810 . 0 0 "[ . 1 . 2]" 1
4 1 6 ASP HA 1 7 PRO QD 2.700 . 3.200 2.040 1.974 2.126 . 0 0 "[ . 1 . 2]" 1
5 1 8 TYR H 1 8 TYR QD 3.700 . 4.200 2.608 2.033 3.330 . 0 0 "[ . 1 . 2]" 1
6 1 8 TYR H 1 9 LEU H 3.300 . 3.800 2.584 2.089 3.086 . 0 0 "[ . 1 . 2]" 1
7 1 8 TYR HA 1 9 LEU H 3.300 . 3.800 3.287 2.766 3.534 . 0 0 "[ . 1 . 2]" 1
8 1 9 LEU QB 1 34 TYR QE 5.610 . 6.110 3.848 2.265 4.476 . 0 0 "[ . 1 . 2]" 1
9 1 9 LEU QD 1 34 TYR QE 6.740 . 7.240 3.419 2.221 4.467 . 0 0 "[ . 1 . 2]" 1
10 1 11 ASP HA 1 12 SER H 2.700 . 3.200 2.590 2.169 3.097 . 0 0 "[ . 1 . 2]" 1
11 1 12 SER H 1 34 TYR QD 5.610 . 6.110 3.479 2.742 4.795 . 0 0 "[ . 1 . 2]" 1
12 1 12 SER H 1 34 TYR QE 5.610 . 6.110 2.586 2.052 4.479 . 0 0 "[ . 1 . 2]" 1
13 1 12 SER HA 1 13 LEU H 2.700 . 3.200 2.222 2.161 2.295 . 0 0 "[ . 1 . 2]" 1
14 1 12 SER HA 1 34 TYR QE 5.610 . 6.110 4.979 4.472 5.068 . 0 0 "[ . 1 . 2]" 1
15 1 12 SER QB 1 34 TYR QD 6.300 . 6.800 2.775 2.147 3.226 . 0 0 "[ . 1 . 2]" 1
16 1 12 SER QB 1 34 TYR QE 6.300 . 6.800 3.015 2.188 3.883 . 0 0 "[ . 1 . 2]" 1
17 1 13 LEU HA 1 14 CYS H 2.700 . 3.200 2.238 2.208 2.272 . 0 0 "[ . 1 . 2]" 1
18 1 13 LEU QD 1 14 CYS H . . 4.460 2.573 2.026 2.973 . 0 0 "[ . 1 . 2]" 1
19 1 13 LEU QD 1 18 SER QB 6.000 . 6.500 3.111 2.530 3.980 . 0 0 "[ . 1 . 2]" 1
20 1 13 LEU QD 1 19 SER H 6.000 . 6.500 3.377 2.951 3.939 . 0 0 "[ . 1 . 2]" 1
21 1 13 LEU QD 1 20 GLN H . . 3.740 2.434 2.408 2.458 . 0 0 "[ . 1 . 2]" 1
22 1 13 LEU QD 1 20 GLN HA 6.000 . 6.500 2.804 2.463 3.174 . 0 0 "[ . 1 . 2]" 1
23 1 14 CYS H 1 14 CYS HB2 2.700 . 3.200 2.557 2.424 2.624 . 0 0 "[ . 1 . 2]" 1
24 1 14 CYS H 1 14 CYS HB3 2.700 . 3.200 2.453 2.336 2.570 . 0 0 "[ . 1 . 2]" 1
25 1 14 CYS H 1 20 GLN H 5.000 . 5.500 3.600 3.365 3.882 . 0 0 "[ . 1 . 2]" 1
26 1 14 CYS H 1 22 GLY H 5.000 . 5.500 3.522 3.060 4.026 . 0 0 "[ . 1 . 2]" 1
27 1 14 CYS HA 1 15 HIS H 2.700 . 3.200 2.187 2.153 2.247 . 0 0 "[ . 1 . 2]" 1
28 1 14 CYS HB2 1 17 CYS H 5.000 . 5.500 4.753 4.599 4.875 . 0 0 "[ . 1 . 2]" 1
29 1 14 CYS HB2 1 18 SER H 5.000 . 5.500 4.687 4.123 5.011 . 0 0 "[ . 1 . 2]" 1
30 1 14 CYS HB2 1 20 GLN H 5.000 . 5.500 4.502 4.159 4.807 . 0 0 "[ . 1 . 2]" 1
31 1 14 CYS HB3 1 15 HIS H 5.000 . 5.500 4.230 4.097 4.335 . 0 0 "[ . 1 . 2]" 1
32 1 14 CYS HB3 1 18 SER H 3.300 . 3.800 2.981 2.396 3.328 . 0 0 "[ . 1 . 2]" 1
33 1 14 CYS HB3 1 20 GLN H 5.000 . 5.500 3.392 3.155 3.591 . 0 0 "[ . 1 . 2]" 1
34 1 15 HIS H 1 16 ILE H 3.300 . 3.800 2.704 2.600 2.785 . 0 0 "[ . 1 . 2]" 1
35 1 16 ILE H 1 17 CYS H 3.300 . 3.800 2.828 2.704 2.921 . 0 0 "[ . 1 . 2]" 1
36 1 16 ILE HB 1 17 CYS H 3.300 . 3.800 2.175 2.060 2.303 . 0 0 "[ . 1 . 2]" 1
37 1 16 ILE QG 1 35 PHE QD 4.160 . 4.660 2.288 2.171 2.597 . 0 0 "[ . 1 . 2]" 1
38 1 16 ILE QG 1 35 PHE QE 4.160 . 4.660 2.592 2.437 2.846 . 0 0 "[ . 1 . 2]" 1
39 1 16 ILE QG 1 39 CYS QB 5.610 . 6.110 2.336 2.193 3.204 . 0 0 "[ . 1 . 2]" 1
40 1 16 ILE MG 1 17 CYS HB3 3.960 . 4.460 3.307 3.228 3.321 . 0 0 "[ . 1 . 2]" 1
41 1 17 CYS H 1 17 CYS HB3 2.700 . 3.200 2.730 2.682 2.770 . 0 0 "[ . 1 . 2]" 1
42 1 17 CYS H 1 18 SER H 2.700 . 3.200 2.451 2.263 2.602 . 0 0 "[ . 1 . 2]" 1
43 1 17 CYS H 1 18 SER HA 5.000 . 5.500 4.755 4.563 4.908 . 0 0 "[ . 1 . 2]" 1
44 1 17 CYS HB2 1 18 SER H 5.000 . 5.500 3.924 3.752 4.040 . 0 0 "[ . 1 . 2]" 1
45 1 17 CYS HB2 1 19 SER H 3.300 . 3.800 3.118 2.816 3.316 . 0 0 "[ . 1 . 2]" 1
46 1 18 SER H 1 18 SER HA 2.700 . 3.200 2.318 2.312 2.323 . 0 0 "[ . 1 . 2]" 1
47 1 18 SER H 1 19 SER H 3.300 . 3.800 2.799 2.666 2.860 . 0 0 "[ . 1 . 2]" 1
48 1 18 SER HA 1 19 SER H 3.300 . 3.800 3.132 3.059 3.273 . 0 0 "[ . 1 . 2]" 1
49 1 18 SER HA 1 20 GLN H 5.000 . 5.500 3.857 3.342 4.386 . 0 0 "[ . 1 . 2]" 1
50 1 19 SER H 1 20 GLN H 2.700 . 3.200 2.178 1.975 2.452 . 0 0 "[ . 1 . 2]" 1
51 1 20 GLN HA 1 21 PRO QD 3.300 . 3.800 2.118 1.945 2.190 . 0 0 "[ . 1 . 2]" 1
52 1 21 PRO HA 1 22 GLY H 2.700 . 3.200 2.265 2.211 2.384 . 0 0 "[ . 1 . 2]" 1
53 1 21 PRO QB 1 34 TYR QE 5.610 . 6.110 4.250 3.537 4.475 . 0 0 "[ . 1 . 2]" 1
54 1 22 GLY QA 1 23 PRO QD 3.300 . 3.800 1.974 1.906 2.031 . 0 0 "[ . 1 . 2]" 1
55 1 22 GLY QA 1 24 PHE H 5.000 . 5.500 3.209 3.096 3.330 . 0 0 "[ . 1 . 2]" 1
56 1 22 GLY QA 1 36 CYS H 5.000 . 5.500 3.604 3.442 3.760 . 0 0 "[ . 1 . 2]" 1
57 1 22 GLY QA 1 36 CYS HA . . 3.800 2.874 2.639 2.975 . 0 0 "[ . 1 . 2]" 1
58 1 23 PRO QB 1 24 PHE H 5.000 . 5.500 3.503 3.014 3.633 . 0 0 "[ . 1 . 2]" 1
59 1 23 PRO QB 1 24 PHE QD 5.610 . 6.110 4.180 3.424 4.335 . 0 0 "[ . 1 . 2]" 1
60 1 23 PRO QB 1 24 PHE QE 5.610 . 6.110 4.257 3.562 4.458 . 0 0 "[ . 1 . 2]" 1
61 1 23 PRO QD 1 24 PHE H 3.300 . 3.800 2.518 2.329 2.834 . 0 0 "[ . 1 . 2]" 1
62 1 23 PRO QD 1 36 CYS HA 3.300 . 3.800 2.039 1.950 2.179 . 0 0 "[ . 1 . 2]" 1
63 1 23 PRO QG 1 24 PHE H 5.000 . 5.500 2.709 2.460 4.014 . 0 0 "[ . 1 . 2]" 1
64 1 24 PHE H 1 24 PHE QD 3.700 . 4.200 2.996 2.655 3.203 . 0 0 "[ . 1 . 2]" 1
65 1 24 PHE H 1 24 PHE QE 5.610 . 6.110 4.656 4.524 4.851 . 0 0 "[ . 1 . 2]" 1
66 1 24 PHE H 1 35 PHE H 3.300 . 3.800 3.315 3.288 3.342 . 0 0 "[ . 1 . 2]" 1
67 1 24 PHE H 1 36 CYS HA 5.000 . 5.500 3.937 3.668 4.143 . 0 0 "[ . 1 . 2]" 1
68 1 24 PHE HA 1 25 PHE H 2.700 . 3.200 2.224 2.202 2.277 . 0 0 "[ . 1 . 2]" 1
69 1 24 PHE QB 1 25 PHE H . . 3.800 2.907 2.746 2.961 . 0 0 "[ . 1 . 2]" 1
70 1 24 PHE QD 1 37 ARG H 5.610 . 6.110 3.770 3.452 4.122 . 0 0 "[ . 1 . 2]" 1
71 1 24 PHE QD 1 37 ARG HA 3.700 . 4.200 3.139 3.000 3.314 . 0 0 "[ . 1 . 2]" 1
72 1 24 PHE QD 1 37 ARG QB 6.300 . 6.800 4.236 4.010 4.991 . 0 0 "[ . 1 . 2]" 1
73 1 24 PHE QD 1 37 ARG QG 6.300 . 6.800 4.711 4.026 5.024 . 0 0 "[ . 1 . 2]" 1
74 1 24 PHE QD 1 54 PRO QB 5.610 . 6.110 2.619 2.292 3.132 . 0 0 "[ . 1 . 2]" 1
75 1 24 PHE QE 1 36 CYS HA 5.610 . 6.110 4.291 4.071 4.483 . 0 0 "[ . 1 . 2]" 1
76 1 24 PHE QE 1 37 ARG H 3.700 . 4.200 3.243 3.017 3.315 . 0 0 "[ . 1 . 2]" 1
77 1 24 PHE QE 1 37 ARG HA 3.700 . 4.200 2.464 2.085 2.796 . 0 0 "[ . 1 . 2]" 1
78 1 24 PHE QE 1 37 ARG QB 4.160 . 4.660 2.468 2.213 3.357 . 0 0 "[ . 1 . 2]" 1
79 1 24 PHE QE 1 37 ARG QD 6.300 . 6.800 4.197 3.632 4.879 . 0 0 "[ . 1 . 2]" 1
80 1 24 PHE QE 1 37 ARG QG 6.300 . 6.800 3.126 2.068 3.997 . 0 0 "[ . 1 . 2]" 1
81 1 24 PHE QE 1 54 PRO QB 5.610 . 6.110 4.180 3.838 4.444 . 0 0 "[ . 1 . 2]" 1
82 1 25 PHE H 1 55 LEU H 5.000 . 5.500 3.219 2.728 3.773 . 0 0 "[ . 1 . 2]" 1
83 1 25 PHE H 1 55 LEU QB 5.610 . 6.110 4.073 3.172 5.026 . 0 0 "[ . 1 . 2]" 1
84 1 25 PHE HA 1 26 CYS H 2.700 . 3.200 2.182 2.161 2.218 . 0 0 "[ . 1 . 2]" 1
85 1 25 PHE HA 1 33 LYS H 5.000 . 5.500 4.619 4.361 4.888 . 0 0 "[ . 1 . 2]" 1
86 1 25 PHE HA 1 34 TYR QE 5.610 . 6.110 4.718 4.002 5.009 . 0 0 "[ . 1 . 2]" 1
87 1 25 PHE QB 1 34 TYR QD 6.300 . 6.800 3.177 2.445 3.685 . 0 0 "[ . 1 . 2]" 1
88 1 25 PHE QB 1 34 TYR QE 4.160 . 4.660 3.069 2.359 3.333 . 0 0 "[ . 1 . 2]" 1
89 1 25 PHE QD 1 26 CYS H 5.610 . 6.110 3.379 3.060 3.628 . 0 0 "[ . 1 . 2]" 1
90 1 25 PHE QD 1 27 ARG HA 5.610 . 6.110 4.077 3.584 4.310 . 0 0 "[ . 1 . 2]" 1
91 1 25 PHE QD 1 34 TYR QD 4.160 . 4.660 2.222 2.085 3.065 . 0 0 "[ . 1 . 2]" 1
92 1 25 PHE QD 1 34 TYR QE 3.400 . 3.900 2.714 2.701 2.759 . 0 0 "[ . 1 . 2]" 1
93 1 25 PHE QD 1 55 LEU QB 4.160 . 4.660 2.755 2.198 3.293 . 0 0 "[ . 1 . 2]" 1
94 1 25 PHE QD 1 55 LEU QD 4.450 . 4.950 2.282 2.092 2.817 . 0 0 "[ . 1 . 2]" 1
95 1 25 PHE QE 1 27 ARG HA 3.030 . 3.530 2.565 2.235 2.722 . 0 0 "[ . 1 . 2]" 1
96 1 25 PHE QE 1 27 ARG QG 5.610 . 6.110 4.228 2.379 4.487 . 0 0 "[ . 1 . 2]" 1
97 1 25 PHE HZ 1 32 PHE QD 5.610 . 6.110 3.018 2.467 3.298 . 0 0 "[ . 1 . 2]" 1
98 1 26 CYS H 1 33 LYS H 3.300 . 3.800 3.063 2.790 3.250 . 0 0 "[ . 1 . 2]" 1
99 1 26 CYS HA 1 27 ARG H 2.700 . 3.200 2.180 2.157 2.201 . 0 0 "[ . 1 . 2]" 1
100 1 26 CYS HA 1 40 TRP HH2 3.300 . 3.800 2.449 2.237 2.600 . 0 0 "[ . 1 . 2]" 1
101 1 26 CYS HA 1 40 TRP HZ2 5.000 . 5.500 4.896 4.676 5.041 . 0 0 "[ . 1 . 2]" 1
102 1 26 CYS HA 1 40 TRP HZ3 5.000 . 5.500 2.912 2.728 3.358 . 0 0 "[ . 1 . 2]" 1
103 1 26 CYS QB 1 32 PHE H 3.300 . 3.800 2.918 2.803 2.984 . 0 0 "[ . 1 . 2]" 1
104 1 26 CYS QB 1 35 PHE QE 3.700 . 4.200 2.352 2.190 2.524 . 0 0 "[ . 1 . 2]" 1
105 1 26 CYS QB 1 40 TRP HH2 3.300 . 3.800 2.725 2.571 2.872 . 0 0 "[ . 1 . 2]" 1
106 1 26 CYS QB 1 40 TRP HZ2 5.000 . 5.500 4.488 4.441 4.505 . 0 0 "[ . 1 . 2]" 1
107 1 26 CYS QB 1 40 TRP HZ3 5.000 . 5.500 2.277 2.196 2.371 . 0 0 "[ . 1 . 2]" 1
108 1 27 ARG H 1 27 ARG QD 3.700 . 4.200 2.636 1.810 3.420 . 0 0 "[ . 1 . 2]" 1
109 1 27 ARG H 1 27 ARG QG 3.300 . 3.800 2.131 1.885 3.053 . 0 0 "[ . 1 . 2]" 1
110 1 27 ARG H 1 40 TRP HH2 5.000 . 5.500 4.043 3.758 4.487 . 0 0 "[ . 1 . 2]" 1
111 1 27 ARG HA 1 28 ASP H 5.000 . 5.500 3.374 3.225 3.479 . 0 0 "[ . 1 . 2]" 1
112 1 27 ARG HA 1 32 PHE H 5.000 . 5.500 4.425 4.158 4.596 . 0 0 "[ . 1 . 2]" 1
113 1 27 ARG HA 1 32 PHE QD 3.030 . 3.530 2.742 2.720 2.760 . 0 0 "[ . 1 . 2]" 1
114 1 28 ASP H 1 28 ASP QB 2.700 . 3.200 2.248 2.214 2.298 . 0 0 "[ . 1 . 2]" 1
115 1 28 ASP H 1 29 GLN H 5.000 . 5.500 4.689 4.673 4.702 . 0 0 "[ . 1 . 2]" 1
116 1 28 ASP H 1 31 CYS QB 5.000 . 5.500 3.587 3.384 3.870 . 0 0 "[ . 1 . 2]" 1
117 1 28 ASP HA 1 29 GLN H 2.700 . 3.200 2.281 2.243 2.305 . 0 0 "[ . 1 . 2]" 1
118 1 28 ASP HA 1 30 VAL H 5.000 . 5.500 3.994 3.927 4.060 . 0 0 "[ . 1 . 2]" 1
119 1 28 ASP QB 1 30 VAL H 3.300 . 3.800 2.981 2.970 2.998 . 0 0 "[ . 1 . 2]" 1
120 1 28 ASP QB 1 31 CYS H 3.300 . 3.800 2.598 2.458 2.724 . 0 0 "[ . 1 . 2]" 1
121 1 28 ASP QB 1 52 HIS HE1 3.300 . 3.800 2.941 2.889 2.954 . 0 0 "[ . 1 . 2]" 1
122 1 29 GLN H 1 29 GLN QB 3.030 . 3.530 2.376 2.218 2.605 . 0 0 "[ . 1 . 2]" 1
123 1 29 GLN HA 1 30 VAL H 5.000 . 5.500 3.543 3.521 3.560 . 0 0 "[ . 1 . 2]" 1
124 1 29 GLN QB 1 30 VAL MG2 6.740 . 7.240 3.916 3.243 4.502 . 0 0 "[ . 1 . 2]" 1
125 1 29 GLN QG 1 30 VAL MG2 6.740 . 7.240 3.799 2.632 5.047 . 0 0 "[ . 1 . 2]" 1
126 1 30 VAL H 1 31 CYS H 2.700 . 3.200 2.617 2.553 2.649 . 0 0 "[ . 1 . 2]" 1
127 1 30 VAL H 1 52 HIS HE1 5.000 . 5.500 4.035 3.917 4.169 . 0 0 "[ . 1 . 2]" 1
128 1 30 VAL HA 1 30 VAL MG2 3.240 . 3.740 2.389 2.358 2.421 . 0 0 "[ . 1 . 2]" 1
129 1 30 VAL HB 1 31 CYS H 5.000 . 5.500 2.756 2.633 2.907 . 0 0 "[ . 1 . 2]" 1
130 1 30 VAL HB 1 52 HIS HE1 3.300 . 3.800 2.075 2.018 2.161 . 0 0 "[ . 1 . 2]" 1
131 1 30 VAL MG1 1 31 CYS H 3.960 . 4.460 3.339 3.320 3.375 . 0 0 "[ . 1 . 2]" 1
132 1 30 VAL MG1 1 49 LEU QD 3.890 . 4.390 1.940 1.900 2.001 . 0 0 "[ . 1 . 2]" 1
133 1 30 VAL MG1 1 51 HIS HE1 6.000 . 6.500 5.029 5.013 5.042 . 0 0 "[ . 1 . 2]" 1
134 1 30 VAL MG1 1 52 HIS HE1 3.240 . 3.740 2.485 2.273 2.647 . 0 0 "[ . 1 . 2]" 1
135 1 30 VAL MG2 1 31 CYS H 6.000 . 6.500 4.080 3.982 4.163 . 0 0 "[ . 1 . 2]" 1
136 1 30 VAL MG2 1 49 LEU QD 4.760 . 5.260 2.962 2.958 2.967 . 0 0 "[ . 1 . 2]" 1
137 1 30 VAL MG2 1 52 HIS HE1 3.960 . 4.460 3.321 3.312 3.332 . 0 0 "[ . 1 . 2]" 1
138 1 31 CYS H 1 32 PHE HA 5.000 . 5.500 4.898 4.784 5.028 . 0 0 "[ . 1 . 2]" 1
139 1 31 CYS QB 1 32 PHE H 2.700 . 3.200 1.891 1.843 1.956 . 0 0 "[ . 1 . 2]" 1
140 1 31 CYS QB 1 33 LYS H 5.000 . 5.500 2.859 2.646 3.102 . 0 0 "[ . 1 . 2]" 1
141 1 31 CYS QB 1 35 PHE QE . . 4.200 2.168 2.095 2.270 . 0 0 "[ . 1 . 2]" 1
142 1 32 PHE H 1 32 PHE HA 2.700 . 3.200 2.303 2.300 2.310 . 0 0 "[ . 1 . 2]" 1
143 1 32 PHE H 1 33 LYS H 3.300 . 3.800 2.844 2.703 2.960 . 0 0 "[ . 1 . 2]" 1
144 1 32 PHE HA 1 33 LYS H 3.300 . 3.800 2.768 2.601 2.904 . 0 0 "[ . 1 . 2]" 1
145 1 33 LYS H 1 34 TYR H 5.000 . 5.500 4.455 4.416 4.496 . 0 0 "[ . 1 . 2]" 1
146 1 33 LYS HA 1 34 TYR H 2.700 . 3.200 2.552 2.333 2.622 . 0 0 "[ . 1 . 2]" 1
147 1 33 LYS HA 1 34 TYR QD 5.610 . 6.110 3.465 2.984 4.341 . 0 0 "[ . 1 . 2]" 1
148 1 33 LYS HA 1 34 TYR QE 5.610 . 6.110 4.970 4.647 5.038 . 0 0 "[ . 1 . 2]" 1
149 1 34 TYR HA 1 35 PHE H 2.700 . 3.200 2.282 2.244 2.356 . 0 0 "[ . 1 . 2]" 1
150 1 34 TYR HA 1 35 PHE QD 5.610 . 6.110 3.522 3.326 4.080 . 0 0 "[ . 1 . 2]" 1
151 1 35 PHE HA 1 36 CYS H 2.700 . 3.200 2.261 2.235 2.298 . 0 0 "[ . 1 . 2]" 1
152 1 35 PHE HA 1 40 TRP H 5.000 . 5.500 4.959 4.794 5.021 . 0 0 "[ . 1 . 2]" 1
153 1 35 PHE QB 1 40 TRP H 3.300 . 3.800 2.925 2.849 2.957 . 0 0 "[ . 1 . 2]" 1
154 1 35 PHE QB 1 40 TRP HE3 . . 3.800 2.158 2.051 2.277 . 0 0 "[ . 1 . 2]" 1
155 1 35 PHE QD 1 39 CYS QB 3.700 . 4.200 2.656 2.466 2.932 . 0 0 "[ . 1 . 2]" 1
156 1 35 PHE QD 1 40 TRP H 5.610 . 6.110 4.469 4.125 4.834 . 0 0 "[ . 1 . 2]" 1
157 1 36 CYS H 1 39 CYS QB 2.700 . 3.200 1.961 1.802 2.141 . 0 0 "[ . 1 . 2]" 1
158 1 36 CYS HA 1 37 ARG H 2.700 . 3.200 2.553 2.493 2.607 . 0 0 "[ . 1 . 2]" 1
159 1 36 CYS QB 1 37 ARG H 3.300 . 3.800 2.342 2.247 2.442 . 0 0 "[ . 1 . 2]" 1
160 1 36 CYS HB3 1 37 ARG H 2.700 . 3.200 2.407 2.297 2.518 . 0 0 "[ . 1 . 2]" 1
161 1 37 ARG H 1 38 SER H 3.300 . 3.800 2.903 2.790 2.995 . 0 0 "[ . 1 . 2]" 1
162 1 37 ARG H 1 39 CYS H 5.000 . 5.500 4.203 4.080 4.355 . 0 0 "[ . 1 . 2]" 1
163 1 37 ARG HA 1 40 TRP HD1 5.000 . 5.500 5.059 5.047 5.082 . 0 0 "[ . 1 . 2]" 1
164 1 37 ARG HA 1 41 HIS H 5.000 . 5.500 4.311 4.210 4.389 . 0 0 "[ . 1 . 2]" 1
165 1 38 SER H 1 39 CYS H 3.300 . 3.800 2.616 2.522 2.657 . 0 0 "[ . 1 . 2]" 1
166 1 38 SER HA 1 41 HIS H 5.000 . 5.500 3.557 3.473 3.666 . 0 0 "[ . 1 . 2]" 1
167 1 38 SER HA 1 41 HIS QB 3.700 . 4.200 2.771 2.615 2.927 . 0 0 "[ . 1 . 2]" 1
168 1 39 CYS H 1 40 TRP H 3.300 . 3.800 2.647 2.588 2.702 . 0 0 "[ . 1 . 2]" 1
169 1 39 CYS H 1 41 HIS H 5.000 . 5.500 4.256 4.138 4.391 . 0 0 "[ . 1 . 2]" 1
170 1 39 CYS HA 1 42 TRP H 3.400 . 3.900 3.446 3.425 3.461 . 0 0 "[ . 1 . 2]" 1
171 1 39 CYS HA 1 42 TRP QB 3.700 . 4.200 2.599 2.428 2.737 . 0 0 "[ . 1 . 2]" 1
172 1 39 CYS HA 1 43 ARG H 5.000 . 5.500 4.001 3.937 4.079 . 0 0 "[ . 1 . 2]" 1
173 1 40 TRP H 1 41 HIS H 3.300 . 3.800 2.690 2.649 2.732 . 0 0 "[ . 1 . 2]" 1
174 1 40 TRP HA 1 40 TRP HE3 5.000 . 5.500 3.776 3.696 3.889 . 0 0 "[ . 1 . 2]" 1
175 1 40 TRP HA 1 43 ARG H 3.400 . 3.900 3.452 3.421 3.474 . 0 0 "[ . 1 . 2]" 1
176 1 40 TRP HA 1 43 ARG QB 5.000 . 5.500 2.670 2.497 2.921 . 0 0 "[ . 1 . 2]" 1
177 1 40 TRP HA 1 44 HIS HD1 3.300 . 3.800 2.697 2.443 2.885 . 0 0 "[ . 1 . 2]" 1
178 1 40 TRP HD1 1 41 HIS H 3.300 . 3.800 3.260 3.142 3.308 . 0 0 "[ . 1 . 2]" 1
179 1 40 TRP HD1 1 41 HIS HA 3.300 . 3.800 2.907 2.787 3.003 . 0 0 "[ . 1 . 2]" 1
180 1 40 TRP HD1 1 44 HIS H 5.000 . 5.500 4.830 4.697 4.983 . 0 0 "[ . 1 . 2]" 1
181 1 40 TRP HD1 1 44 HIS QB 5.000 . 5.500 3.872 3.686 4.082 . 0 0 "[ . 1 . 2]" 1
182 1 40 TRP HE1 1 44 HIS QB 5.000 . 5.500 3.434 3.238 3.581 . 0 0 "[ . 1 . 2]" 1
183 1 40 TRP HE1 1 44 HIS HD1 5.000 . 5.500 3.475 3.376 3.660 . 0 0 "[ . 1 . 2]" 1
184 1 40 TRP HH2 1 53 SER HA 5.000 . 5.500 3.979 3.668 4.549 . 0 0 "[ . 1 . 2]" 1
185 1 40 TRP HH2 1 54 PRO HA 3.300 . 3.800 2.598 2.474 2.718 . 0 0 "[ . 1 . 2]" 1
186 1 40 TRP HH2 1 54 PRO QB 5.000 . 5.500 3.454 3.128 4.115 . 0 0 "[ . 1 . 2]" 1
187 1 40 TRP HZ2 1 44 HIS QB 5.000 . 5.500 4.445 4.308 4.496 . 0 0 "[ . 1 . 2]" 1
188 1 40 TRP HZ2 1 44 HIS HD2 5.000 . 5.500 4.850 4.593 5.004 . 0 0 "[ . 1 . 2]" 1
189 1 40 TRP HZ2 1 52 HIS HA 5.000 . 5.500 4.935 4.722 5.024 . 0 0 "[ . 1 . 2]" 1
190 1 40 TRP HZ2 1 52 HIS QB 5.000 . 5.500 3.033 2.771 3.203 . 0 0 "[ . 1 . 2]" 1
191 1 40 TRP HZ2 1 53 SER HA 3.300 . 3.800 2.694 2.441 2.958 . 0 0 "[ . 1 . 2]" 1
192 1 40 TRP HZ2 1 54 PRO HA 5.000 . 5.500 4.118 3.515 4.501 . 0 0 "[ . 1 . 2]" 1
193 1 40 TRP HZ3 1 54 PRO HA 5.000 . 5.500 3.201 2.903 3.554 . 0 0 "[ . 1 . 2]" 1
194 1 41 HIS H 1 42 TRP H 3.300 . 3.800 2.785 2.756 2.830 . 0 0 "[ . 1 . 2]" 1
195 1 41 HIS HA 1 44 HIS H 5.000 . 5.500 3.893 3.826 3.972 . 0 0 "[ . 1 . 2]" 1
196 1 42 TRP HA 1 45 SER H 5.000 . 5.500 3.861 3.615 4.134 . 0 0 "[ . 1 . 2]" 1
197 1 42 TRP QB 1 42 TRP HE3 3.030 . 3.530 2.649 2.565 2.701 . 0 0 "[ . 1 . 2]" 1
198 1 42 TRP HE3 1 43 ARG H 3.300 . 3.800 2.919 2.734 3.104 . 0 0 "[ . 1 . 2]" 1
199 1 42 TRP HE3 1 43 ARG HA 3.300 . 3.800 2.638 2.368 3.095 . 0 0 "[ . 1 . 2]" 1
200 1 42 TRP HE3 1 43 ARG QB 3.300 . 3.800 2.790 2.401 2.958 . 0 0 "[ . 1 . 2]" 1
201 1 43 ARG H 1 44 HIS H 5.000 . 5.500 2.796 2.703 2.859 . 0 0 "[ . 1 . 2]" 1
202 1 43 ARG HA 1 49 LEU QD 6.000 . 6.500 4.296 4.078 4.484 . 0 0 "[ . 1 . 2]" 1
203 1 43 ARG QB 1 44 HIS H 3.300 . 3.800 2.485 2.426 2.597 . 0 0 "[ . 1 . 2]" 1
204 1 43 ARG QB 1 44 HIS HD1 3.300 . 3.800 2.935 2.865 2.976 . 0 0 "[ . 1 . 2]" 1
205 1 43 ARG QD 1 49 LEU QD 6.000 . 6.500 2.975 2.144 3.955 . 0 0 "[ . 1 . 2]" 1
206 1 43 ARG QG 1 49 LEU QD 6.000 . 6.500 3.002 2.508 3.939 . 0 0 "[ . 1 . 2]" 1
207 1 44 HIS H 1 44 HIS HD1 2.700 . 3.200 2.692 2.591 2.718 . 0 0 "[ . 1 . 2]" 1
208 1 44 HIS H 1 45 SER H 3.300 . 3.800 2.619 2.547 2.687 . 0 0 "[ . 1 . 2]" 1
209 1 44 HIS HA 1 44 HIS HD2 3.300 . 3.800 2.698 2.562 2.841 . 0 0 "[ . 1 . 2]" 1
210 1 44 HIS HA 1 49 LEU QB 3.300 . 3.800 2.580 2.433 2.814 . 0 0 "[ . 1 . 2]" 1
211 1 44 HIS HA 1 49 LEU QD . . 4.460 2.912 2.618 2.985 . 0 0 "[ . 1 . 2]" 1
212 1 44 HIS HA 1 49 LEU HG 5.000 . 5.500 5.022 4.910 5.052 . 0 0 "[ . 1 . 2]" 1
213 1 44 HIS QB 1 45 SER H 5.000 . 5.500 3.468 3.234 3.676 . 0 0 "[ . 1 . 2]" 1
214 1 44 HIS HD2 1 49 LEU HA 5.000 . 5.500 4.538 4.351 4.741 . 0 0 "[ . 1 . 2]" 1
215 1 44 HIS HD2 1 49 LEU QB 3.300 . 3.800 2.391 2.251 2.506 . 0 0 "[ . 1 . 2]" 1
216 1 44 HIS HD2 1 49 LEU QD 6.000 . 6.500 2.948 2.578 3.056 . 0 0 "[ . 1 . 2]" 1
217 1 44 HIS HD2 1 52 HIS H 5.000 . 5.500 4.219 4.092 4.572 . 0 0 "[ . 1 . 2]" 1
218 1 44 HIS HD2 1 52 HIS QB 3.300 . 3.800 2.355 2.231 2.475 . 0 0 "[ . 1 . 2]" 1
219 1 44 HIS HD2 1 52 HIS HE1 5.000 . 5.500 3.955 3.854 4.040 . 0 0 "[ . 1 . 2]" 1
220 1 45 SER H 1 46 MET H 3.300 . 3.800 2.503 2.392 2.634 . 0 0 "[ . 1 . 2]" 1
221 1 45 SER HA 1 46 MET H 5.000 . 5.500 3.547 3.534 3.564 . 0 0 "[ . 1 . 2]" 1
222 1 45 SER QB 1 46 MET H 3.030 . 3.530 2.749 2.715 2.781 . 0 0 "[ . 1 . 2]" 1
223 1 46 MET H 1 49 LEU QB 5.000 . 5.500 4.185 3.997 4.456 . 0 0 "[ . 1 . 2]" 1
224 1 46 MET H 1 49 LEU QD 6.740 . 7.240 4.022 3.851 4.365 . 0 0 "[ . 1 . 2]" 1
225 1 46 MET HA 1 47 GLU H 2.700 . 3.200 2.209 2.186 2.252 . 0 0 "[ . 1 . 2]" 1
226 1 46 MET QB 1 49 LEU H 5.610 . 6.110 4.135 3.882 4.421 . 0 0 "[ . 1 . 2]" 1
227 1 46 MET QB 1 49 LEU QD 4.450 . 4.950 2.465 2.246 2.862 . 0 0 "[ . 1 . 2]" 1
228 1 46 MET ME 1 49 LEU QD 8.090 . 8.590 4.368 2.929 5.002 . 0 0 "[ . 1 . 2]" 1
229 1 46 MET QG 1 49 LEU QD 6.740 . 7.240 3.460 2.397 4.182 . 0 0 "[ . 1 . 2]" 1
230 1 47 GLU HA 1 48 GLY H 2.700 . 3.200 2.241 2.189 2.351 . 0 0 "[ . 1 . 2]" 1
231 1 47 GLU HA 1 49 LEU H 5.000 . 5.500 3.374 3.060 3.565 . 0 0 "[ . 1 . 2]" 1
232 1 47 GLU QG 1 48 GLY H 5.610 . 6.110 3.746 2.366 4.522 . 0 0 "[ . 1 . 2]" 1
233 1 48 GLY H 1 49 LEU H 3.300 . 3.800 2.687 2.573 2.803 . 0 0 "[ . 1 . 2]" 1
234 1 48 GLY QA 1 49 LEU H 5.000 . 5.500 2.938 2.878 2.968 . 0 0 "[ . 1 . 2]" 1
235 1 49 LEU H 1 50 ARG H 2.700 . 3.200 2.346 2.224 2.476 . 0 0 "[ . 1 . 2]" 1
236 1 49 LEU H 1 50 ARG HA 5.000 . 5.500 4.514 4.485 4.551 . 0 0 "[ . 1 . 2]" 1
237 1 49 LEU HA 1 50 ARG H 3.300 . 3.800 3.213 3.127 3.274 . 0 0 "[ . 1 . 2]" 1
238 1 49 LEU HA 1 51 HIS HE1 2.700 . 3.200 2.509 2.481 2.546 . 0 0 "[ . 1 . 2]" 1
239 1 49 LEU QB 1 51 HIS HE1 5.000 . 5.500 4.490 4.481 4.499 . 0 0 "[ . 1 . 2]" 1
240 1 49 LEU QB 1 52 HIS H 5.000 . 5.500 4.156 3.998 4.257 . 0 0 "[ . 1 . 2]" 1
241 1 49 LEU QB 1 52 HIS HE1 5.000 . 5.500 3.466 3.343 3.611 . 0 0 "[ . 1 . 2]" 1
242 1 49 LEU QD 1 51 HIS HE1 6.740 . 7.240 3.947 3.835 4.071 . 0 0 "[ . 1 . 2]" 1
243 1 49 LEU QD 1 52 HIS HE1 3.240 . 3.740 2.437 2.431 2.445 . 0 0 "[ . 1 . 2]" 1
244 1 49 LEU HG 1 52 HIS HE1 3.300 . 3.800 2.601 2.514 2.709 . 0 0 "[ . 1 . 2]" 1
245 1 50 ARG H 1 50 ARG QB 3.300 . 3.800 2.480 2.353 2.651 . 0 0 "[ . 1 . 2]" 1
246 1 50 ARG H 1 50 ARG QD 5.610 . 6.110 3.695 2.688 4.332 . 0 0 "[ . 1 . 2]" 1
247 1 50 ARG H 1 50 ARG QG 3.700 . 4.200 2.179 1.974 2.338 . 0 0 "[ . 1 . 2]" 1
248 1 50 ARG H 1 51 HIS HE1 5.000 . 5.500 4.918 4.763 4.997 . 0 0 "[ . 1 . 2]" 1
249 1 50 ARG H 1 52 HIS H 5.000 . 5.500 4.418 4.383 4.461 . 0 0 "[ . 1 . 2]" 1
250 1 51 HIS H 1 51 HIS QB 3.300 . 3.800 2.646 2.608 2.698 . 0 0 "[ . 1 . 2]" 1
251 1 51 HIS H 1 52 HIS H 3.300 . 3.800 2.539 2.447 2.640 . 0 0 "[ . 1 . 2]" 1
252 1 51 HIS HA 1 52 HIS H 3.300 . 3.800 3.343 3.310 3.367 . 0 0 "[ . 1 . 2]" 1
253 1 51 HIS HD2 1 52 HIS HD2 3.300 . 3.800 3.346 3.332 3.366 . 0 0 "[ . 1 . 2]" 1
254 1 51 HIS HE1 1 52 HIS HD2 3.300 . 3.800 3.018 2.940 3.081 . 0 0 "[ . 1 . 2]" 1
255 1 52 HIS H 1 52 HIS HD2 3.300 . 3.800 2.469 2.387 2.550 . 0 0 "[ . 1 . 2]" 1
256 1 52 HIS HA 1 52 HIS HD2 3.300 . 3.800 2.873 2.800 3.004 . 0 0 "[ . 1 . 2]" 1
257 1 52 HIS HA 1 53 SER H 2.700 . 3.200 2.316 2.227 2.433 . 0 0 "[ . 1 . 2]" 1
258 1 53 SER HA 1 54 PRO QD 3.300 . 3.800 2.044 1.937 2.110 . 0 0 "[ . 1 . 2]" 1
259 1 54 PRO HA 1 55 LEU H 2.700 . 3.200 2.259 2.166 2.384 . 0 0 "[ . 1 . 2]" 1
260 1 55 LEU H 1 55 LEU QD 3.960 . 4.460 2.917 2.179 3.025 . 0 0 "[ . 1 . 2]" 1
261 1 55 LEU H 1 55 LEU HG 2.700 . 3.200 2.534 2.064 2.783 . 0 0 "[ . 1 . 2]" 1
262 1 55 LEU HA 1 56 MET H 2.700 . 3.200 2.408 2.237 2.918 . 0 0 "[ . 1 . 2]" 1
263 1 55 LEU QD 1 56 MET H 3.960 . 4.460 2.994 2.955 3.043 . 0 0 "[ . 1 . 2]" 1
264 1 56 MET HA 1 57 ARG H 3.300 . 3.800 2.252 2.156 2.425 . 0 0 "[ . 1 . 2]" 1
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