NMR Restraints Grid
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NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | program | type | subtype | subsubtype |
|
|
371875 |
1d0r   |
4741 | cing | recoord | dress | 4-filtered-FRED | Wattos | check | violation | distance |
data_1d0r
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 268
_Distance_constraint_stats_list.Viol_count 578
_Distance_constraint_stats_list.Viol_total 6268.636
_Distance_constraint_stats_list.Viol_max 4.766
_Distance_constraint_stats_list.Viol_rms 0.3213
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0585
_Distance_constraint_stats_list.Viol_average_violations_only 0.5423
_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 HIS 0.790 0.248 10 0 "[ . 1 . 2]"
1 2 ALA 0.860 0.248 10 0 "[ . 1 . 2]"
1 3 GLU 0.590 0.194 1 0 "[ . 1 . 2]"
1 4 GLY 0.637 0.194 1 0 "[ . 1 . 2]"
1 5 THR 0.610 0.196 11 0 "[ . 1 . 2]"
1 6 PHE 0.911 0.196 11 0 "[ . 1 . 2]"
1 7 THR 65.344 4.766 13 12 "[ ** *** 1*-+ **** 2]"
1 8 SER 23.524 2.578 3 8 "[ *+ * * 1 **.* -]"
1 9 ASP 6.218 0.980 16 2 "[ . - 1 .+ 2]"
1 10 VAL 14.739 2.155 15 6 "[ *-* * 1 * + 2]"
1 11 SER 68.338 4.766 13 13 "[ ** *** 1*-+ *****2]"
1 12 SER 21.661 2.578 3 8 "[ *+ * * 1 **.* -]"
1 13 TYR 4.918 0.980 16 2 "[ . - 1 .+ 2]"
1 14 LEU 7.733 1.187 5 3 "[ -+ 1 * . 2]"
1 15 GLU 10.419 1.644 3 5 "[ *+ . 1 * .- *2]"
1 16 GLY 0.073 0.050 3 0 "[ . 1 . 2]"
1 17 GLN 0.273 0.203 19 0 "[ . 1 . 2]"
1 18 ALA 39.035 2.992 15 7 "[* *. ** 1 + - *]"
1 19 ALA 15.628 2.614 3 5 "[ + * *1 - *2]"
1 20 LYS 11.070 1.977 5 3 "[ + - 1 . * 2]"
1 21 GLU 15.284 2.992 15 4 "[ * . * 1 + -2]"
1 22 PHE 60.859 3.212 3 14 "[**+*.*-* 1 * ***** *]"
1 23 ILE 81.460 3.430 3 15 "[**+** -** *******2]"
1 24 ALA 28.756 3.124 2 10 "[ +* * * *1* * . -**2]"
1 25 TRP 20.230 2.332 2 8 "[ +* . * *1* * * -2]"
1 26 LEU 24.374 3.212 3 11 "[**+*.*- 1 * **** 2]"
1 27 VAL 72.999 3.430 3 13 "[**+** -** **.*** 2]"
1 28 LYS 19.454 3.124 2 8 "[ +* . * *1* * . - *2]"
1 29 GLY 0.952 0.366 1 0 "[ . 1 . 2]"
1 30 ARG 2.201 0.366 1 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 HIS HA 1 2 ALA H 0.000 . 3.560 2.723 2.120 3.605 0.045 18 0 "[ . 1 . 2]" 1
2 1 1 HIS HA 1 4 GLY H 0.000 . 5.000 4.626 3.505 5.126 0.126 20 0 "[ . 1 . 2]" 1
3 1 1 HIS QB 1 2 ALA H 0.000 . 6.000 3.067 1.752 4.069 0.248 10 0 "[ . 1 . 2]" 1
4 1 2 ALA H 1 2 ALA MB 0.000 . 6.100 2.610 2.160 3.229 . 0 0 "[ . 1 . 2]" 1
5 1 2 ALA HA 1 2 ALA MB 0.000 . 6.100 2.208 2.166 2.240 . 0 0 "[ . 1 . 2]" 1
6 1 2 ALA HA 1 3 GLU H 0.000 . 5.000 3.135 2.155 3.523 . 0 0 "[ . 1 . 2]" 1
7 1 2 ALA MB 1 3 GLU H 0.000 . 6.000 2.503 1.817 3.617 0.183 14 0 "[ . 1 . 2]" 1
8 1 3 GLU H 1 3 GLU QB 0.000 . 5.600 2.652 2.208 3.000 . 0 0 "[ . 1 . 2]" 1
9 1 3 GLU HA 1 3 GLU QB 0.000 . 5.000 2.295 2.165 2.553 . 0 0 "[ . 1 . 2]" 1
10 1 3 GLU HA 1 4 GLY H 0.000 . 3.560 3.070 1.806 3.497 0.194 1 0 "[ . 1 . 2]" 1
11 1 4 GLY H 1 4 GLY QA 0.000 . 3.560 2.388 2.256 2.537 . 0 0 "[ . 1 . 2]" 1
12 1 4 GLY QA 1 5 THR H 0.000 . 6.000 2.363 1.882 2.765 0.118 11 0 "[ . 1 . 2]" 1
13 1 5 THR H 1 5 THR MG 0.000 . 6.000 3.458 1.945 4.192 0.055 12 0 "[ . 1 . 2]" 1
14 1 5 THR H 1 6 PHE H 0.000 . 5.000 3.621 2.361 4.669 . 0 0 "[ . 1 . 2]" 1
15 1 5 THR HA 1 5 THR MG 0.000 . 5.600 2.486 2.253 3.240 . 0 0 "[ . 1 . 2]" 1
16 1 5 THR HA 1 6 PHE H 0.000 . 5.000 2.849 2.138 3.491 . 0 0 "[ . 1 . 2]" 1
17 1 5 THR HB 1 5 THR MG 0.000 . 5.000 2.197 2.163 2.229 . 0 0 "[ . 1 . 2]" 1
18 1 5 THR HB 1 6 PHE H 0.000 . 5.000 3.600 2.241 4.424 . 0 0 "[ . 1 . 2]" 1
19 1 5 THR MG 1 6 PHE H 0.000 . 6.000 3.127 1.804 4.191 0.196 11 0 "[ . 1 . 2]" 1
20 1 6 PHE H 1 6 PHE QB 0.000 . 5.600 2.712 2.146 3.491 . 0 0 "[ . 1 . 2]" 1
21 1 6 PHE H 1 6 PHE QD 0.000 . 7.000 3.197 1.883 4.481 0.117 20 0 "[ . 1 . 2]" 1
22 1 6 PHE H 1 7 THR H 0.000 . 5.000 3.642 2.022 4.648 . 0 0 "[ . 1 . 2]" 1
23 1 6 PHE HA 1 6 PHE QB 0.000 . 5.000 2.350 2.166 2.512 . 0 0 "[ . 1 . 2]" 1
24 1 6 PHE HA 1 6 PHE QD 0.000 . 6.000 2.783 2.153 3.753 . 0 0 "[ . 1 . 2]" 1
25 1 6 PHE HA 1 7 THR H 0.000 . 5.000 2.801 1.930 3.531 0.070 4 0 "[ . 1 . 2]" 1
26 1 6 PHE HA 1 9 ASP H 0.000 . 5.000 4.346 3.559 5.131 0.131 11 0 "[ . 1 . 2]" 1
27 1 6 PHE HA 1 9 ASP QB 0.000 . 5.880 3.817 2.054 5.200 . 0 0 "[ . 1 . 2]" 1
28 1 6 PHE QB 1 6 PHE QD 0.000 . 5.000 2.182 2.119 2.294 . 0 0 "[ . 1 . 2]" 1
29 1 6 PHE QB 1 7 THR H 0.000 . 6.000 3.235 1.908 4.010 0.092 8 0 "[ . 1 . 2]" 1
30 1 6 PHE QD 1 7 THR H 0.000 . 7.000 3.936 2.149 4.877 . 0 0 "[ . 1 . 2]" 1
31 1 6 PHE QD 1 7 THR MG 0.000 . 8.000 4.939 2.890 5.760 . 0 0 "[ . 1 . 2]" 1
32 1 6 PHE QD 1 10 VAL QG 0.000 . 9.900 3.665 1.995 6.025 0.005 11 0 "[ . 1 . 2]" 1
33 1 7 THR H 1 7 THR HB 0.000 . 5.000 3.406 2.471 4.071 . 0 0 "[ . 1 . 2]" 1
34 1 7 THR H 1 7 THR MG 0.000 . 6.000 2.765 1.872 4.153 0.128 17 0 "[ . 1 . 2]" 1
35 1 7 THR H 1 8 SER H 0.000 . 5.000 3.125 1.801 4.236 0.199 16 0 "[ . 1 . 2]" 1
36 1 7 THR HA 1 7 THR MG 0.000 . 5.600 2.806 2.324 3.317 . 0 0 "[ . 1 . 2]" 1
37 1 7 THR HA 1 8 SER H 0.000 . 5.000 3.265 2.125 3.546 . 0 0 "[ . 1 . 2]" 1
38 1 7 THR HA 1 10 VAL H 0.000 . 5.000 4.756 3.348 7.155 2.155 15 3 "[ * . - 1 + 2]" 1
39 1 7 THR HA 1 10 VAL HB 0.000 . 5.000 4.239 2.339 5.173 0.173 3 0 "[ . 1 . 2]" 1
40 1 7 THR HA 1 10 VAL QG 0.000 . 7.900 3.669 2.301 5.234 . 0 0 "[ . 1 . 2]" 1
41 1 7 THR HB 1 7 THR MG 0.000 . 5.000 2.179 2.145 2.199 . 0 0 "[ . 1 . 2]" 1
42 1 7 THR MG 1 8 SER H 0.000 . 6.000 3.093 1.647 4.282 0.353 9 0 "[ . 1 . 2]" 1
43 1 7 THR O 1 11 SER H 0.000 . 2.000 3.498 1.829 6.766 4.766 13 12 "[ -* *** 1**+ **** 2]" 1
44 1 7 THR O 1 11 SER N 0.000 2.700 3.000 4.374 2.754 7.707 4.707 13 12 "[ ** *** 1*-+ **** 2]" 1
45 1 8 SER H 1 8 SER QB 0.000 . 5.600 2.693 2.318 3.362 . 0 0 "[ . 1 . 2]" 1
46 1 8 SER H 1 9 ASP H 0.000 . 5.000 2.732 1.733 3.531 0.267 15 0 "[ . 1 . 2]" 1
47 1 8 SER HA 1 8 SER QB 0.000 . 5.000 2.339 2.195 2.451 . 0 0 "[ . 1 . 2]" 1
48 1 8 SER HA 1 9 ASP H 0.000 . 3.560 3.411 2.918 3.574 0.014 9 0 "[ . 1 . 2]" 1
49 1 8 SER HA 1 11 SER H 0.000 . 5.000 4.131 2.834 5.114 0.114 15 0 "[ . 1 . 2]" 1
50 1 8 SER QB 1 9 ASP H 0.000 . 4.560 2.729 1.887 3.590 0.113 16 0 "[ . 1 . 2]" 1
51 1 8 SER O 1 12 SER H 0.000 . 2.000 2.533 1.815 4.578 2.578 3 8 "[ *+ * * 1 **.* -]" 1
52 1 8 SER O 1 12 SER N 0.000 2.700 3.000 3.433 2.787 5.449 2.449 3 7 "[ *+ * * 1 *-.* 2]" 1
53 1 9 ASP H 1 9 ASP QB 0.000 . 5.600 2.310 1.858 2.803 0.142 7 0 "[ . 1 . 2]" 1
54 1 9 ASP H 1 10 VAL H 0.000 . 5.000 3.058 2.535 4.505 . 0 0 "[ . 1 . 2]" 1
55 1 9 ASP H 1 10 VAL HB 0.000 . 5.000 4.764 3.518 5.066 0.066 4 0 "[ . 1 . 2]" 1
56 1 9 ASP HA 1 9 ASP QB 0.000 . 5.000 2.361 2.253 2.575 . 0 0 "[ . 1 . 2]" 1
57 1 9 ASP HA 1 10 VAL H 0.000 . 3.560 3.422 2.763 3.533 . 0 0 "[ . 1 . 2]" 1
58 1 9 ASP HA 1 12 SER H 0.000 . 5.000 3.885 3.471 4.409 . 0 0 "[ . 1 . 2]" 1
59 1 9 ASP QB 1 10 VAL H 0.000 . 6.000 2.398 1.728 3.370 0.272 3 0 "[ . 1 . 2]" 1
60 1 9 ASP O 1 13 TYR H 0.000 . 2.000 2.045 1.782 2.980 0.980 16 2 "[ . - 1 .+ 2]" 1
61 1 9 ASP O 1 13 TYR N 0.000 2.700 3.000 3.003 2.748 3.924 0.924 16 2 "[ . - 1 .+ 2]" 1
62 1 10 VAL H 1 10 VAL HB 0.000 . 5.000 2.557 2.139 3.513 . 0 0 "[ . 1 . 2]" 1
63 1 10 VAL H 1 10 VAL QG 0.000 . 7.200 2.134 1.928 2.700 0.072 1 0 "[ . 1 . 2]" 1
64 1 10 VAL HA 1 10 VAL QG 0.000 . 6.100 2.162 2.064 2.378 . 0 0 "[ . 1 . 2]" 1
65 1 10 VAL HA 1 11 SER H 0.000 . 5.000 3.487 3.085 3.626 . 0 0 "[ . 1 . 2]" 1
66 1 10 VAL HA 1 13 TYR H 0.000 . 5.000 3.879 3.353 4.457 . 0 0 "[ . 1 . 2]" 1
67 1 10 VAL HA 1 13 TYR QB 0.000 . 6.000 2.936 2.133 5.293 . 0 0 "[ . 1 . 2]" 1
68 1 10 VAL HA 1 13 TYR QD 0.000 . 7.130 4.154 2.451 5.494 . 0 0 "[ . 1 . 2]" 1
69 1 10 VAL HA 1 14 LEU H 0.000 . 5.000 4.193 2.433 5.041 0.041 12 0 "[ . 1 . 2]" 1
70 1 10 VAL HB 1 10 VAL QG 0.000 . 4.060 1.946 1.925 1.970 0.075 9 0 "[ . 1 . 2]" 1
71 1 10 VAL HB 1 11 SER H 0.000 . 5.000 2.682 2.083 4.006 . 0 0 "[ . 1 . 2]" 1
72 1 10 VAL QG 1 13 TYR QE 0.000 . 9.440 5.319 3.792 6.311 . 0 0 "[ . 1 . 2]" 1
73 1 10 VAL O 1 14 LEU H 0.000 . 2.000 2.158 1.789 3.187 1.187 5 3 "[ -+ 1 * . 2]" 1
74 1 10 VAL O 1 14 LEU N 0.000 2.700 3.000 3.083 2.678 4.147 1.147 5 2 "[ + 1 - . 2]" 1
75 1 11 SER H 1 11 SER QB 0.000 . 5.600 2.556 2.270 3.486 . 0 0 "[ . 1 . 2]" 1
76 1 11 SER H 1 12 SER H 0.000 . 5.000 2.891 2.555 3.142 . 0 0 "[ . 1 . 2]" 1
77 1 11 SER HA 1 11 SER QB 0.000 . 5.000 2.387 2.229 2.545 . 0 0 "[ . 1 . 2]" 1
78 1 11 SER HA 1 12 SER H 0.000 . 5.000 3.468 2.638 3.583 . 0 0 "[ . 1 . 2]" 1
79 1 11 SER HA 1 14 LEU H 0.000 . 5.000 3.754 3.026 5.023 0.023 3 0 "[ . 1 . 2]" 1
80 1 11 SER HA 1 14 LEU QB 0.000 . 6.000 3.081 2.077 5.339 . 0 0 "[ . 1 . 2]" 1
81 1 11 SER HA 1 15 GLU H 0.000 . 5.000 3.999 2.303 5.085 0.085 2 0 "[ . 1 . 2]" 1
82 1 11 SER O 1 15 GLU H 0.000 . 2.000 2.196 1.798 3.644 1.644 3 5 "[ *+ . 1 * .- *2]" 1
83 1 11 SER O 1 15 GLU N 0.000 2.700 3.000 3.100 2.697 4.415 1.415 3 5 "[ *+ . 1 * .- *2]" 1
84 1 12 SER HA 1 12 SER QB 0.000 . 5.000 2.381 2.231 2.456 . 0 0 "[ . 1 . 2]" 1
85 1 12 SER HA 1 13 TYR H 0.000 . 5.000 3.444 2.811 3.547 . 0 0 "[ . 1 . 2]" 1
86 1 12 SER HA 1 15 GLU H 0.000 . 5.000 3.918 2.814 5.007 0.007 8 0 "[ . 1 . 2]" 1
87 1 12 SER HA 1 15 GLU QB 0.000 . 6.000 3.112 2.035 5.212 . 0 0 "[ . 1 . 2]" 1
88 1 13 TYR H 1 13 TYR QB 0.000 . 4.160 2.301 2.135 2.732 . 0 0 "[ . 1 . 2]" 1
89 1 13 TYR H 1 13 TYR QD 0.000 . 5.000 4.024 2.474 4.430 . 0 0 "[ . 1 . 2]" 1
90 1 13 TYR H 1 14 LEU H 0.000 . 5.000 2.803 2.515 3.000 . 0 0 "[ . 1 . 2]" 1
91 1 13 TYR HA 1 13 TYR QB 0.000 . 5.000 2.406 2.280 2.541 . 0 0 "[ . 1 . 2]" 1
92 1 13 TYR HA 1 13 TYR QD 0.000 . 6.000 2.733 2.269 3.187 . 0 0 "[ . 1 . 2]" 1
93 1 13 TYR HA 1 14 LEU H 0.000 . 5.000 3.456 2.363 3.607 . 0 0 "[ . 1 . 2]" 1
94 1 13 TYR HA 1 16 GLY H 0.000 . 5.000 4.011 3.074 5.050 0.050 3 0 "[ . 1 . 2]" 1
95 1 13 TYR QB 1 13 TYR QD 0.000 . 5.000 2.169 2.125 2.292 . 0 0 "[ . 1 . 2]" 1
96 1 13 TYR QB 1 14 LEU H 0.000 . 6.000 2.475 2.083 3.751 . 0 0 "[ . 1 . 2]" 1
97 1 13 TYR QD 1 14 LEU H 0.000 . 7.000 3.325 2.528 4.449 . 0 0 "[ . 1 . 2]" 1
98 1 13 TYR QD 1 14 LEU HA 0.000 . 7.000 3.756 2.496 5.829 . 0 0 "[ . 1 . 2]" 1
99 1 13 TYR QD 1 14 LEU QB 0.000 . 7.650 4.164 2.728 5.906 . 0 0 "[ . 1 . 2]" 1
100 1 13 TYR QD 1 14 LEU HG 0.000 . 7.000 4.836 2.895 6.435 . 0 0 "[ . 1 . 2]" 1
101 1 13 TYR QD 1 17 GLN QB 0.000 . 8.000 4.239 2.616 6.035 . 0 0 "[ . 1 . 2]" 1
102 1 13 TYR QE 1 17 GLN QB 0.000 . 8.010 4.424 2.485 6.458 . 0 0 "[ . 1 . 2]" 1
103 1 14 LEU H 1 14 LEU QB 0.000 . 4.160 2.277 2.113 2.554 . 0 0 "[ . 1 . 2]" 1
104 1 14 LEU H 1 14 LEU HG 0.000 . 5.000 3.757 2.127 4.831 . 0 0 "[ . 1 . 2]" 1
105 1 14 LEU H 1 15 GLU H 0.000 . 5.000 2.844 2.350 3.229 . 0 0 "[ . 1 . 2]" 1
106 1 14 LEU HA 1 14 LEU QB 0.000 . 5.000 2.464 2.234 2.578 . 0 0 "[ . 1 . 2]" 1
107 1 14 LEU HA 1 14 LEU QD 0.000 . 7.200 2.431 1.861 3.076 0.139 16 0 "[ . 1 . 2]" 1
108 1 14 LEU HA 1 14 LEU HG 0.000 . 3.560 2.774 2.241 3.648 0.088 15 0 "[ . 1 . 2]" 1
109 1 14 LEU HA 1 15 GLU H 0.000 . 5.000 3.479 2.495 3.635 . 0 0 "[ . 1 . 2]" 1
110 1 14 LEU HA 1 17 GLN H 0.000 . 5.000 3.841 2.971 4.994 . 0 0 "[ . 1 . 2]" 1
111 1 14 LEU QB 1 14 LEU HG 0.000 . 5.000 2.403 2.072 2.478 . 0 0 "[ . 1 . 2]" 1
112 1 14 LEU QB 1 15 GLU H 0.000 . 5.880 2.355 2.084 3.702 . 0 0 "[ . 1 . 2]" 1
113 1 15 GLU H 1 15 GLU QB 0.000 . 5.600 2.352 1.951 2.891 0.049 5 0 "[ . 1 . 2]" 1
114 1 15 GLU H 1 15 GLU QG 0.000 . 6.000 3.333 1.818 4.312 0.182 12 0 "[ . 1 . 2]" 1
115 1 15 GLU H 1 16 GLY H 0.000 . 5.000 2.754 2.309 3.012 . 0 0 "[ . 1 . 2]" 1
116 1 15 GLU HA 1 15 GLU QB 0.000 . 5.000 2.401 2.257 2.539 . 0 0 "[ . 1 . 2]" 1
117 1 15 GLU HA 1 15 GLU QG 0.000 . 5.600 2.777 2.352 3.391 . 0 0 "[ . 1 . 2]" 1
118 1 15 GLU HA 1 16 GLY H 0.000 . 5.000 3.403 2.194 3.550 . 0 0 "[ . 1 . 2]" 1
119 1 15 GLU QB 1 15 GLU QG 0.000 . 5.000 2.092 1.998 2.153 0.002 4 0 "[ . 1 . 2]" 1
120 1 16 GLY H 1 16 GLY QA 0.000 . 5.000 2.271 2.211 2.345 . 0 0 "[ . 1 . 2]" 1
121 1 16 GLY QA 1 17 GLN H 0.000 . 6.000 2.624 2.415 2.860 . 0 0 "[ . 1 . 2]" 1
122 1 16 GLY QA 1 18 ALA H 0.000 . 6.000 4.478 3.614 5.254 . 0 0 "[ . 1 . 2]" 1
123 1 17 GLN H 1 17 GLN QB 0.000 . 5.600 2.331 2.106 2.765 . 0 0 "[ . 1 . 2]" 1
124 1 17 GLN H 1 17 GLN QG 0.000 . 6.000 3.540 2.046 4.179 . 0 0 "[ . 1 . 2]" 1
125 1 17 GLN H 1 18 ALA H 0.000 . 5.000 2.728 2.293 3.145 . 0 0 "[ . 1 . 2]" 1
126 1 17 GLN HA 1 17 GLN QB 0.000 . 5.000 2.430 2.151 2.606 . 0 0 "[ . 1 . 2]" 1
127 1 17 GLN HA 1 17 GLN QG 0.000 . 5.600 2.708 2.264 3.432 . 0 0 "[ . 1 . 2]" 1
128 1 17 GLN HA 1 18 ALA H 0.000 . 5.000 3.435 2.225 3.626 . 0 0 "[ . 1 . 2]" 1
129 1 17 GLN HA 1 19 ALA H 0.000 . 5.000 4.586 4.144 5.042 0.042 7 0 "[ . 1 . 2]" 1
130 1 17 GLN QB 1 18 ALA H 0.000 . 6.000 2.361 1.797 3.803 0.203 19 0 "[ . 1 . 2]" 1
131 1 18 ALA H 1 18 ALA HA 0.000 . 2.850 2.748 2.390 2.940 0.090 7 0 "[ . 1 . 2]" 1
132 1 18 ALA H 1 18 ALA MB 0.000 . 6.100 2.232 2.149 2.608 . 0 0 "[ . 1 . 2]" 1
133 1 18 ALA H 1 19 ALA H 0.000 . 5.000 2.996 2.313 3.536 . 0 0 "[ . 1 . 2]" 1
134 1 18 ALA HA 1 18 ALA MB 0.000 . 6.100 2.185 2.152 2.211 . 0 0 "[ . 1 . 2]" 1
135 1 18 ALA HA 1 21 GLU H 0.000 . 5.000 4.286 3.241 7.992 2.992 15 2 "[ . - 1 + 2]" 1
136 1 18 ALA HA 1 22 PHE H 0.000 . 5.000 4.574 2.047 7.097 2.097 15 5 "[* . * 1 + - *]" 1
137 1 18 ALA MB 1 19 ALA H 0.000 . 6.500 2.392 2.138 3.626 . 0 0 "[ . 1 . 2]" 1
138 1 18 ALA O 1 22 PHE H 0.000 . 2.000 2.668 1.864 4.623 2.623 8 7 "[* *. -+ 1 * * *]" 1
139 1 18 ALA O 1 22 PHE N 0.000 2.700 3.000 3.517 2.705 5.385 2.385 8 7 "[* *. -+ 1 * * *]" 1
140 1 19 ALA H 1 19 ALA MB 0.000 . 6.100 2.254 2.159 2.818 . 0 0 "[ . 1 . 2]" 1
141 1 19 ALA H 1 20 LYS H 0.000 . 5.000 2.922 2.420 3.325 . 0 0 "[ . 1 . 2]" 1
142 1 19 ALA HA 1 19 ALA MB 0.000 . 4.660 2.186 2.152 2.208 . 0 0 "[ . 1 . 2]" 1
143 1 19 ALA HA 1 20 LYS H 0.000 . 5.000 3.426 2.580 3.587 . 0 0 "[ . 1 . 2]" 1
144 1 19 ALA HA 1 22 PHE H 0.000 . 5.000 3.949 3.389 5.027 0.027 9 0 "[ . 1 . 2]" 1
145 1 19 ALA HA 1 22 PHE QB 0.000 . 6.000 3.256 2.440 4.483 . 0 0 "[ . 1 . 2]" 1
146 1 19 ALA HA 1 23 ILE H 0.000 . 5.000 4.176 3.555 5.100 0.100 3 0 "[ . 1 . 2]" 1
147 1 19 ALA O 1 23 ILE H 0.000 . 2.000 2.373 1.824 4.614 2.614 3 5 "[ + * *1 - *2]" 1
148 1 19 ALA O 1 23 ILE N 0.000 2.700 3.000 3.238 2.759 4.667 1.667 5 5 "[ * + *1 - *2]" 1
149 1 20 LYS H 1 20 LYS QB 0.000 . 5.600 2.458 1.976 3.102 0.024 14 0 "[ . 1 . 2]" 1
150 1 20 LYS H 1 20 LYS QD 0.000 . 5.000 3.621 1.788 4.480 0.212 18 0 "[ . 1 . 2]" 1
151 1 20 LYS H 1 20 LYS QG 0.000 . 4.560 2.954 1.871 4.069 0.129 9 0 "[ . 1 . 2]" 1
152 1 20 LYS H 1 21 GLU H 0.000 . 5.000 2.881 1.810 3.929 0.190 3 0 "[ . 1 . 2]" 1
153 1 20 LYS H 1 22 PHE H 0.000 . 5.000 4.208 3.459 4.936 . 0 0 "[ . 1 . 2]" 1
154 1 20 LYS HA 1 20 LYS QD 0.000 . 6.000 3.699 2.048 4.512 . 0 0 "[ . 1 . 2]" 1
155 1 20 LYS HA 1 20 LYS QG 0.000 . 5.600 2.811 2.332 3.477 . 0 0 "[ . 1 . 2]" 1
156 1 20 LYS HA 1 23 ILE H 0.000 . 5.000 3.736 3.107 5.017 0.017 5 0 "[ . 1 . 2]" 1
157 1 20 LYS QB 1 20 LYS QD 0.000 . 5.760 2.285 1.998 2.638 0.002 6 0 "[ . 1 . 2]" 1
158 1 20 LYS QB 1 20 LYS QG 0.000 . 2.850 2.084 1.932 2.152 0.068 1 0 "[ . 1 . 2]" 1
159 1 20 LYS QB 1 21 GLU H 0.000 . 6.000 2.441 1.829 3.555 0.171 13 0 "[ . 1 . 2]" 1
160 1 20 LYS QD 1 20 LYS QE 0.000 . 5.000 2.067 2.010 2.125 . 0 0 "[ . 1 . 2]" 1
161 1 20 LYS O 1 24 ALA H 0.000 . 2.000 2.196 1.824 3.977 1.977 5 3 "[ + - 1 . * 2]" 1
162 1 20 LYS O 1 24 ALA N 0.000 2.700 3.000 3.117 2.772 4.834 1.834 5 3 "[ + - 1 . * 2]" 1
163 1 21 GLU H 1 21 GLU QB 0.000 . 5.600 2.367 2.130 2.693 . 0 0 "[ . 1 . 2]" 1
164 1 21 GLU H 1 21 GLU QG 0.000 . 6.000 2.960 1.860 4.149 0.140 11 0 "[ . 1 . 2]" 1
165 1 21 GLU H 1 22 PHE H 0.000 . 5.000 2.810 2.281 3.154 . 0 0 "[ . 1 . 2]" 1
166 1 21 GLU HA 1 21 GLU QB 0.000 . 5.000 2.383 2.160 2.574 . 0 0 "[ . 1 . 2]" 1
167 1 21 GLU HA 1 21 GLU QG 0.000 . 5.600 2.782 2.228 3.601 . 0 0 "[ . 1 . 2]" 1
168 1 21 GLU HA 1 22 PHE H 0.000 . 5.000 3.512 3.417 3.611 . 0 0 "[ . 1 . 2]" 1
169 1 21 GLU QB 1 21 GLU QG 0.000 . 5.000 2.090 2.030 2.170 . 0 0 "[ . 1 . 2]" 1
170 1 21 GLU QB 1 22 PHE H 0.000 . 6.000 2.801 2.184 3.571 . 0 0 "[ . 1 . 2]" 1
171 1 21 GLU O 1 25 TRP H 0.000 . 2.000 2.254 1.747 4.332 2.332 2 3 "[ + . 1 - *2]" 1
172 1 21 GLU O 1 25 TRP N 0.000 2.700 3.000 3.045 2.526 4.054 1.054 2 3 "[ + . 1 * -2]" 1
173 1 22 PHE H 1 22 PHE QB 0.000 . 5.600 2.261 2.164 2.343 . 0 0 "[ . 1 . 2]" 1
174 1 22 PHE H 1 22 PHE QD 0.000 . 7.000 4.015 2.360 4.237 . 0 0 "[ . 1 . 2]" 1
175 1 22 PHE H 1 23 ILE H 0.000 . 5.000 2.493 2.350 2.894 . 0 0 "[ . 1 . 2]" 1
176 1 22 PHE H 1 23 ILE HA 0.000 . 5.000 5.110 5.057 5.185 0.185 12 0 "[ . 1 . 2]" 1
177 1 22 PHE H 1 23 ILE HB 0.000 . 5.000 4.434 4.060 4.795 . 0 0 "[ . 1 . 2]" 1
178 1 22 PHE HA 1 22 PHE QB 0.000 . 5.000 2.456 2.391 2.553 . 0 0 "[ . 1 . 2]" 1
179 1 22 PHE HA 1 22 PHE QD 0.000 . 6.000 2.741 1.954 3.144 0.046 19 0 "[ . 1 . 2]" 1
180 1 22 PHE HA 1 22 PHE QE 0.000 . 5.600 4.464 4.088 4.768 . 0 0 "[ . 1 . 2]" 1
181 1 22 PHE HA 1 23 ILE H 0.000 . 5.000 3.474 2.631 3.661 . 0 0 "[ . 1 . 2]" 1
182 1 22 PHE HA 1 25 TRP H 0.000 . 5.000 3.245 2.856 4.037 . 0 0 "[ . 1 . 2]" 1
183 1 22 PHE HA 1 25 TRP QB 0.000 . 6.000 2.254 1.809 3.476 0.191 17 0 "[ . 1 . 2]" 1
184 1 22 PHE HA 1 25 TRP HD1 0.000 . 5.000 4.213 2.746 5.088 0.088 17 0 "[ . 1 . 2]" 1
185 1 22 PHE HA 1 25 TRP HE3 0.000 . 5.000 4.168 2.165 5.104 0.104 9 0 "[ . 1 . 2]" 1
186 1 22 PHE HA 1 26 LEU H 0.000 . 5.000 4.314 3.406 5.020 0.020 16 0 "[ . 1 . 2]" 1
187 1 22 PHE QB 1 22 PHE QD 0.000 . 5.000 2.168 2.138 2.281 . 0 0 "[ . 1 . 2]" 1
188 1 22 PHE QB 1 23 ILE H 0.000 . 6.000 2.525 2.294 3.721 . 0 0 "[ . 1 . 2]" 1
189 1 22 PHE QD 1 23 ILE H 0.000 . 7.000 3.586 2.714 4.511 . 0 0 "[ . 1 . 2]" 1
190 1 22 PHE QD 1 25 TRP HA 0.000 . 7.000 6.072 4.940 6.552 . 0 0 "[ . 1 . 2]" 1
191 1 22 PHE QD 1 26 LEU QB 0.000 . 7.650 4.637 2.403 5.769 . 0 0 "[ . 1 . 2]" 1
192 1 22 PHE QD 1 26 LEU QD 0.000 . 9.900 3.295 2.435 4.881 . 0 0 "[ . 1 . 2]" 1
193 1 22 PHE QE 1 26 LEU QD 0.000 . 9.900 3.002 2.109 4.663 . 0 0 "[ . 1 . 2]" 1
194 1 22 PHE HZ 1 25 TRP QB 0.000 . 6.000 5.235 4.858 5.431 . 0 0 "[ . 1 . 2]" 1
195 1 22 PHE HZ 1 26 LEU QD 0.000 . 7.900 3.782 2.206 5.832 . 0 0 "[ . 1 . 2]" 1
196 1 22 PHE O 1 26 LEU H 0.000 . 2.000 2.588 1.818 5.212 3.212 3 11 "[**+*.*- 1 * **** 2]" 1
197 1 22 PHE O 1 26 LEU N 0.000 2.700 3.000 3.509 2.791 6.180 3.180 3 8 "[**+*.* 1 -.** 2]" 1
198 1 23 ILE H 1 23 ILE HB 0.000 . 5.000 2.428 2.081 2.737 . 0 0 "[ . 1 . 2]" 1
199 1 23 ILE H 1 23 ILE QG 0.000 . 6.500 2.809 2.017 4.111 . 0 0 "[ . 1 . 2]" 1
200 1 23 ILE H 1 23 ILE MG 0.000 . 6.500 3.525 2.246 3.854 . 0 0 "[ . 1 . 2]" 1
201 1 23 ILE H 1 24 ALA H 0.000 . 5.000 2.732 1.693 2.927 0.307 3 0 "[ . 1 . 2]" 1
202 1 23 ILE H 1 24 ALA MB 0.000 . 6.500 4.305 3.272 4.525 . 0 0 "[ . 1 . 2]" 1
203 1 23 ILE HA 1 23 ILE QG 0.000 . 6.100 2.452 2.144 3.049 . 0 0 "[ . 1 . 2]" 1
204 1 23 ILE HA 1 23 ILE MG 0.000 . 6.100 2.795 2.449 3.276 . 0 0 "[ . 1 . 2]" 1
205 1 23 ILE HA 1 26 LEU H 0.000 . 5.000 4.195 3.464 5.021 0.021 4 0 "[ . 1 . 2]" 1
206 1 23 ILE HA 1 26 LEU QB 0.000 . 5.880 3.857 2.148 5.230 . 0 0 "[ . 1 . 2]" 1
207 1 23 ILE HA 1 27 VAL H 0.000 . 5.000 5.496 3.805 7.646 2.646 3 12 "[**+** ** *-.*** 2]" 1
208 1 23 ILE HB 1 23 ILE MD 0.000 . 6.250 2.559 2.305 3.315 . 0 0 "[ . 1 . 2]" 1
209 1 23 ILE HB 1 23 ILE QG 0.000 . 5.500 2.385 2.185 2.456 . 0 0 "[ . 1 . 2]" 1
210 1 23 ILE HB 1 23 ILE MG 0.000 . 5.500 2.187 2.154 2.229 . 0 0 "[ . 1 . 2]" 1
211 1 23 ILE HB 1 24 ALA H 0.000 . 5.000 2.832 2.227 3.724 . 0 0 "[ . 1 . 2]" 1
212 1 23 ILE MD 1 23 ILE QG 0.000 . 6.750 1.942 1.930 1.948 0.070 15 0 "[ . 1 . 2]" 1
213 1 23 ILE QG 1 23 ILE MG 0.000 . 7.500 2.235 2.039 2.309 . 0 0 "[ . 1 . 2]" 1
214 1 23 ILE MG 1 24 ALA H 0.000 . 6.500 2.799 1.817 3.837 0.183 5 0 "[ . 1 . 2]" 1
215 1 23 ILE O 1 27 VAL H 0.000 . 2.000 3.360 1.892 5.430 3.430 3 13 "[**+** -** **.*** 2]" 1
216 1 23 ILE O 1 27 VAL N 0.000 2.700 3.000 3.916 2.727 5.873 2.873 17 12 "[****. -** **.*+* 2]" 1
217 1 24 ALA H 1 24 ALA MB 0.000 . 6.100 2.214 2.156 2.295 . 0 0 "[ . 1 . 2]" 1
218 1 24 ALA H 1 25 TRP QB 0.000 . 6.000 4.348 4.002 5.267 . 0 0 "[ . 1 . 2]" 1
219 1 24 ALA HA 1 24 ALA MB 0.000 . 6.100 2.197 2.182 2.226 . 0 0 "[ . 1 . 2]" 1
220 1 24 ALA HA 1 27 VAL H 0.000 . 5.000 3.858 3.111 5.039 0.039 13 0 "[ . 1 . 2]" 1
221 1 24 ALA HA 1 27 VAL HB 0.000 . 5.000 4.128 2.032 6.959 1.959 13 4 "[ * . -1* + . 2]" 1
222 1 24 ALA HA 1 27 VAL QG 0.000 . 7.900 3.501 1.958 5.673 0.042 6 0 "[ . 1 . 2]" 1
223 1 24 ALA MB 1 25 TRP H 0.000 . 6.500 2.512 2.081 3.626 . 0 0 "[ . 1 . 2]" 1
224 1 24 ALA O 1 28 LYS H 0.000 . 2.000 2.220 1.798 5.124 3.124 2 3 "[ + . 1 . - *2]" 1
225 1 24 ALA O 1 28 LYS N 0.000 2.700 3.000 3.100 2.758 5.324 2.324 2 3 "[ + . 1 . - *2]" 1
226 1 25 TRP H 1 25 TRP QB 0.000 . 4.160 2.364 2.078 2.986 . 0 0 "[ . 1 . 2]" 1
227 1 25 TRP H 1 26 LEU QB 0.000 . 5.880 4.685 3.533 5.202 . 0 0 "[ . 1 . 2]" 1
228 1 25 TRP HA 1 25 TRP QB 0.000 . 5.000 2.430 2.254 2.546 . 0 0 "[ . 1 . 2]" 1
229 1 25 TRP HA 1 25 TRP HD1 0.000 . 5.000 3.076 2.039 4.931 . 0 0 "[ . 1 . 2]" 1
230 1 25 TRP HA 1 26 LEU H 0.000 . 5.000 3.405 3.298 3.476 . 0 0 "[ . 1 . 2]" 1
231 1 25 TRP HA 1 28 LYS QB 0.000 . 5.880 5.098 2.368 7.759 1.879 9 5 "[ * . * +1- * . 2]" 1
232 1 25 TRP QB 1 26 LEU H 0.000 . 6.000 2.261 1.717 2.863 0.283 2 0 "[ . 1 . 2]" 1
233 1 25 TRP HD1 1 26 LEU QD 0.000 . 7.310 4.928 3.395 5.544 . 0 0 "[ . 1 . 2]" 1
234 1 25 TRP HE3 1 26 LEU H 0.000 . 5.000 3.980 2.694 4.801 . 0 0 "[ . 1 . 2]" 1
235 1 25 TRP HE3 1 26 LEU QB 0.000 . 6.000 4.625 2.384 5.561 . 0 0 "[ . 1 . 2]" 1
236 1 26 LEU H 1 26 LEU QB 0.000 . 5.600 2.218 1.809 2.610 0.191 8 0 "[ . 1 . 2]" 1
237 1 26 LEU QB 1 26 LEU HG 0.000 . 5.000 2.380 2.174 2.544 . 0 0 "[ . 1 . 2]" 1
238 1 26 LEU QD 1 27 VAL H 0.000 . 7.900 3.521 1.890 4.372 0.110 17 0 "[ . 1 . 2]" 1
239 1 27 VAL H 1 27 VAL HB 0.000 . 5.000 3.044 2.320 3.989 . 0 0 "[ . 1 . 2]" 1
240 1 27 VAL H 1 27 VAL QG 0.000 . 7.200 2.500 1.852 3.207 0.148 14 0 "[ . 1 . 2]" 1
241 1 27 VAL H 1 28 LYS H 0.000 . 5.000 2.235 1.707 2.915 0.293 16 0 "[ . 1 . 2]" 1
242 1 27 VAL H 1 28 LYS QB 0.000 . 6.000 4.513 3.521 5.477 . 0 0 "[ . 1 . 2]" 1
243 1 27 VAL H 1 30 ARG H 0.000 . 5.000 4.913 3.890 5.118 0.118 1 0 "[ . 1 . 2]" 1
244 1 27 VAL HA 1 27 VAL QG 0.000 . 6.100 2.199 2.105 2.429 . 0 0 "[ . 1 . 2]" 1
245 1 27 VAL HA 1 28 LYS H 0.000 . 5.000 3.250 2.365 3.603 . 0 0 "[ . 1 . 2]" 1
246 1 27 VAL HB 1 27 VAL QG 0.000 . 5.500 1.944 1.923 1.987 0.077 6 0 "[ . 1 . 2]" 1
247 1 27 VAL HB 1 28 LYS H 0.000 . 5.000 3.275 2.226 4.442 . 0 0 "[ . 1 . 2]" 1
248 1 27 VAL HB 1 28 LYS QG 0.000 . 6.000 4.338 2.793 5.448 . 0 0 "[ . 1 . 2]" 1
249 1 27 VAL QG 1 28 LYS H 0.000 . 7.900 3.033 2.015 3.731 . 0 0 "[ . 1 . 2]" 1
250 1 28 LYS H 1 28 LYS QB 0.000 . 5.600 2.770 2.155 3.558 . 0 0 "[ . 1 . 2]" 1
251 1 28 LYS H 1 28 LYS QG 0.000 . 6.000 2.870 1.961 4.204 0.039 17 0 "[ . 1 . 2]" 1
252 1 28 LYS H 1 30 ARG H 0.000 . 5.000 4.313 3.562 5.004 0.004 9 0 "[ . 1 . 2]" 1
253 1 28 LYS HA 1 28 LYS QB 0.000 . 5.000 2.326 2.149 2.565 . 0 0 "[ . 1 . 2]" 1
254 1 28 LYS HA 1 28 LYS QD 0.000 . 6.000 3.781 1.971 4.633 0.029 20 0 "[ . 1 . 2]" 1
255 1 28 LYS HA 1 28 LYS QG 0.000 . 5.600 2.882 2.325 3.531 . 0 0 "[ . 1 . 2]" 1
256 1 28 LYS HA 1 29 GLY H 0.000 . 5.000 2.993 2.468 3.486 . 0 0 "[ . 1 . 2]" 1
257 1 28 LYS QB 1 28 LYS QD 0.000 . 5.760 2.377 2.146 3.152 . 0 0 "[ . 1 . 2]" 1
258 1 28 LYS QB 1 28 LYS QG 0.000 . 5.000 2.089 2.001 2.154 . 0 0 "[ . 1 . 2]" 1
259 1 28 LYS QB 1 29 GLY H 0.000 . 6.000 3.536 2.370 4.120 . 0 0 "[ . 1 . 2]" 1
260 1 28 LYS QD 1 28 LYS QE 0.000 . 5.000 2.084 1.963 2.140 0.037 6 0 "[ . 1 . 2]" 1
261 1 29 GLY H 1 29 GLY QA 0.000 . 2.850 2.427 2.313 2.519 . 0 0 "[ . 1 . 2]" 1
262 1 29 GLY H 1 30 ARG H 0.000 . 5.000 2.451 1.634 3.585 0.366 1 0 "[ . 1 . 2]" 1
263 1 29 GLY QA 1 30 ARG H 0.000 . 6.000 2.682 2.311 2.999 . 0 0 "[ . 1 . 2]" 1
264 1 30 ARG H 1 30 ARG QB 0.000 . 5.600 2.821 2.194 3.457 . 0 0 "[ . 1 . 2]" 1
265 1 30 ARG H 1 30 ARG QG 0.000 . 6.000 3.725 2.207 4.685 . 0 0 "[ . 1 . 2]" 1
266 1 30 ARG H 1 30 ARG NH1 0.000 . 5.000 4.519 2.313 5.113 0.113 3 0 "[ . 1 . 2]" 1
267 1 30 ARG H 1 30 ARG NH2 0.000 . 5.000 4.256 2.726 5.036 0.036 6 0 "[ . 1 . 2]" 1
268 1 30 ARG HA 1 30 ARG QB 0.000 . 5.000 2.380 2.165 2.626 . 0 0 "[ . 1 . 2]" 1
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