NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
653332 |
7d16   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_7d16
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 318
_Distance_constraint_stats_list.Viol_count 138
_Distance_constraint_stats_list.Viol_total 20.328
_Distance_constraint_stats_list.Viol_max 0.028
_Distance_constraint_stats_list.Viol_rms 0.0016
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0074
_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 3 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 GLU 0.000 0.000 12 0 "[ . 1 . 2]"
1 14 GLU 0.000 0.000 12 0 "[ . 1 . 2]"
1 15 ARG 0.000 0.000 7 0 "[ . 1 . 2]"
1 16 LEU 0.001 0.001 10 0 "[ . 1 . 2]"
1 17 ALA 0.002 0.001 15 0 "[ . 1 . 2]"
1 18 ASP 0.003 0.001 6 0 "[ . 1 . 2]"
1 19 LEU 0.003 0.001 6 0 "[ . 1 . 2]"
1 20 ALA 0.014 0.002 9 0 "[ . 1 . 2]"
1 21 SER 0.034 0.003 7 0 "[ . 1 . 2]"
1 22 ASP 0.488 0.028 13 0 "[ . 1 . 2]"
1 23 LEU 0.277 0.013 19 0 "[ . 1 . 2]"
1 24 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 GLN 0.892 0.028 13 0 "[ . 1 . 2]"
1 27 TYR 0.182 0.015 13 0 "[ . 1 . 2]"
1 28 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 GLN 0.002 0.001 18 0 "[ . 1 . 2]"
1 31 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 ARG 0.067 0.019 19 0 "[ . 1 . 2]"
1 35 GLN 0.020 0.007 19 0 "[ . 1 . 2]"
1 36 ARG 0.009 0.005 15 0 "[ . 1 . 2]"
1 37 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 GLY 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 3 ALA MB 1 4 GLU H . . 5.470 2.775 2.066 3.720 . 0 0 "[ . 1 . 2]" 1
2 1 4 GLU H 1 4 GLU QB . . 3.630 2.640 2.226 3.360 . 0 0 "[ . 1 . 2]" 1
3 1 4 GLU HA 1 4 GLU QG . . 3.630 2.721 2.260 3.338 . 0 0 "[ . 1 . 2]" 1
4 1 5 ALA MB 1 6 THR H . . 3.720 2.412 1.975 2.754 . 0 0 "[ . 1 . 2]" 1
5 1 5 ALA MB 1 6 THR HA . . 4.790 3.952 3.676 4.334 . 0 0 "[ . 1 . 2]" 1
6 1 6 THR HA 1 7 ARG H . . 3.240 2.394 2.151 2.856 . 0 0 "[ . 1 . 2]" 1
7 1 7 ARG H 1 7 ARG QG . . 4.890 2.941 1.957 4.220 . 0 0 "[ . 1 . 2]" 1
8 1 7 ARG HA 1 7 ARG QG . . 3.520 2.843 2.160 3.440 . 0 0 "[ . 1 . 2]" 1
9 1 8 GLN H 1 8 GLN QB . . 3.150 2.386 2.182 2.681 . 0 0 "[ . 1 . 2]" 1
10 1 11 ALA H 1 11 ALA MB . . 3.300 2.373 2.066 2.759 . 0 0 "[ . 1 . 2]" 1
11 1 11 ALA HA 1 12 GLN H . . 3.300 2.353 2.143 2.610 . 0 0 "[ . 1 . 2]" 1
12 1 11 ALA MB 1 12 GLN H . . 3.990 2.696 2.108 3.673 . 0 0 "[ . 1 . 2]" 1
13 1 11 ALA MB 1 13 GLU H . . 4.430 3.222 2.431 4.343 . 0 0 "[ . 1 . 2]" 1
14 1 11 ALA MB 1 14 GLU H . . 4.280 3.021 2.144 4.185 . 0 0 "[ . 1 . 2]" 1
15 1 12 GLN H 1 12 GLN QB . . 3.450 2.522 2.210 3.010 . 0 0 "[ . 1 . 2]" 1
16 1 12 GLN H 1 12 GLN QG . . 4.080 2.943 1.970 4.077 . 0 0 "[ . 1 . 2]" 1
17 1 12 GLN H 1 13 GLU H . . 3.890 2.449 1.923 3.096 . 0 0 "[ . 1 . 2]" 1
18 1 12 GLN HA 1 12 GLN QG . . 3.590 2.731 2.240 3.460 . 0 0 "[ . 1 . 2]" 1
19 1 12 GLN QG 1 13 GLU H . . 4.720 3.565 1.952 4.688 . 0 0 "[ . 1 . 2]" 1
20 1 13 GLU H 1 13 GLU QB . . 3.160 2.541 2.415 2.762 . 0 0 "[ . 1 . 2]" 1
21 1 13 GLU H 1 13 GLU QG . . 3.670 2.075 1.938 2.268 . 0 0 "[ . 1 . 2]" 1
22 1 13 GLU H 1 14 GLU H . . 3.640 2.653 2.157 2.852 . 0 0 "[ . 1 . 2]" 1
23 1 13 GLU QG 1 14 GLU H . . 3.560 2.340 2.058 3.560 0.000 12 0 "[ . 1 . 2]" 1
24 1 14 GLU H 1 14 GLU QB . . 3.300 2.277 2.156 2.622 . 0 0 "[ . 1 . 2]" 1
25 1 14 GLU H 1 14 GLU QG . . 3.980 3.366 1.941 3.979 . 0 0 "[ . 1 . 2]" 1
26 1 14 GLU H 1 15 ARG H . . 3.980 2.763 2.637 2.984 . 0 0 "[ . 1 . 2]" 1
27 1 14 GLU H 1 16 LEU MD2 . . 5.500 5.170 4.842 5.344 . 0 0 "[ . 1 . 2]" 1
28 1 14 GLU HA 1 16 LEU H . . 5.470 4.930 4.658 5.207 . 0 0 "[ . 1 . 2]" 1
29 1 15 ARG H 1 15 ARG HB2 . . 3.350 2.373 2.226 2.538 . 0 0 "[ . 1 . 2]" 1
30 1 15 ARG H 1 15 ARG QD . . 4.660 4.264 3.812 4.614 . 0 0 "[ . 1 . 2]" 1
31 1 15 ARG H 1 15 ARG QG . . 3.660 2.776 2.155 3.238 . 0 0 "[ . 1 . 2]" 1
32 1 15 ARG H 1 16 LEU H . . 4.150 4.098 3.930 4.150 . 7 0 "[ . 1 . 2]" 1
33 1 15 ARG H 1 16 LEU MD2 . . 4.730 4.422 4.159 4.569 . 0 0 "[ . 1 . 2]" 1
34 1 15 ARG H 1 18 ASP H . . 5.430 5.084 4.852 5.216 . 0 0 "[ . 1 . 2]" 1
35 1 15 ARG H 1 18 ASP QB . . 4.250 4.149 3.979 4.249 . 0 0 "[ . 1 . 2]" 1
36 1 15 ARG HA 1 15 ARG QD . . 4.340 2.622 2.005 3.805 . 0 0 "[ . 1 . 2]" 1
37 1 15 ARG HA 1 16 LEU H . . 3.330 2.227 2.189 2.265 . 0 0 "[ . 1 . 2]" 1
38 1 15 ARG HA 1 16 LEU HB2 . . 4.980 4.296 4.273 4.345 . 0 0 "[ . 1 . 2]" 1
39 1 15 ARG HA 1 17 ALA H . . 4.300 3.657 3.526 3.846 . 0 0 "[ . 1 . 2]" 1
40 1 15 ARG HA 1 17 ALA MB . . 5.020 4.447 4.261 4.634 . 0 0 "[ . 1 . 2]" 1
41 1 15 ARG HB2 1 15 ARG QD . . 3.640 3.212 2.583 3.525 . 0 0 "[ . 1 . 2]" 1
42 1 15 ARG HB2 1 16 LEU H . . 5.140 4.527 4.435 4.582 . 0 0 "[ . 1 . 2]" 1
43 1 15 ARG HB2 1 17 ALA H . . 5.500 4.958 4.584 5.260 . 0 0 "[ . 1 . 2]" 1
44 1 15 ARG HB2 1 18 ASP H . . 3.910 3.557 3.225 3.794 . 0 0 "[ . 1 . 2]" 1
45 1 15 ARG HB2 1 18 ASP QB . . 4.830 2.585 2.163 3.101 . 0 0 "[ . 1 . 2]" 1
46 1 15 ARG HB3 1 15 ARG QD . . 3.640 2.294 2.079 2.952 . 0 0 "[ . 1 . 2]" 1
47 1 15 ARG HB3 1 16 LEU H . . 4.140 3.961 3.849 4.040 . 0 0 "[ . 1 . 2]" 1
48 1 15 ARG HB3 1 17 ALA H . . 4.050 3.646 3.375 3.967 . 0 0 "[ . 1 . 2]" 1
49 1 15 ARG HB3 1 18 ASP H . . 4.300 2.673 2.482 2.966 . 0 0 "[ . 1 . 2]" 1
50 1 15 ARG HB3 1 19 LEU H . . 4.990 4.542 4.082 4.960 . 0 0 "[ . 1 . 2]" 1
51 1 15 ARG QD 1 16 LEU H . . 5.340 4.345 3.803 5.311 . 0 0 "[ . 1 . 2]" 1
52 1 15 ARG QD 1 17 ALA H . . 5.340 4.338 3.720 5.036 . 0 0 "[ . 1 . 2]" 1
53 1 15 ARG QD 1 17 ALA MB . . 4.650 3.718 3.010 4.402 . 0 0 "[ . 1 . 2]" 1
54 1 15 ARG QD 1 18 ASP H . . 5.290 4.361 3.837 4.949 . 0 0 "[ . 1 . 2]" 1
55 1 16 LEU H 1 16 LEU HB2 . . 3.330 2.226 2.185 2.268 . 0 0 "[ . 1 . 2]" 1
56 1 16 LEU H 1 16 LEU HB3 . . 3.720 3.518 3.497 3.538 . 0 0 "[ . 1 . 2]" 1
57 1 16 LEU H 1 16 LEU MD2 . . 4.330 2.078 1.947 2.191 . 0 0 "[ . 1 . 2]" 1
58 1 16 LEU H 1 17 ALA HA . . 5.500 5.355 5.287 5.428 . 0 0 "[ . 1 . 2]" 1
59 1 16 LEU H 1 17 ALA MB . . 4.800 4.361 4.263 4.435 . 0 0 "[ . 1 . 2]" 1
60 1 16 LEU H 1 18 ASP H . . 5.410 4.262 4.171 4.355 . 0 0 "[ . 1 . 2]" 1
61 1 16 LEU HA 1 16 LEU MD1 . . 3.000 2.023 1.961 2.130 . 0 0 "[ . 1 . 2]" 1
62 1 16 LEU HA 1 17 ALA MB . . 5.500 4.998 4.969 5.023 . 0 0 "[ . 1 . 2]" 1
63 1 16 LEU HA 1 18 ASP H . . 4.680 4.071 3.986 4.178 . 0 0 "[ . 1 . 2]" 1
64 1 16 LEU HA 1 19 LEU H . . 3.750 3.169 3.092 3.236 . 0 0 "[ . 1 . 2]" 1
65 1 16 LEU HA 1 19 LEU HB2 . . 4.250 2.769 2.566 2.855 . 0 0 "[ . 1 . 2]" 1
66 1 16 LEU HA 1 19 LEU HB3 . . 3.900 3.084 2.935 3.361 . 0 0 "[ . 1 . 2]" 1
67 1 16 LEU HA 1 20 ALA H . . 4.750 3.950 3.828 4.064 . 0 0 "[ . 1 . 2]" 1
68 1 16 LEU HA 1 20 ALA MB . . 5.500 4.767 4.655 4.903 . 0 0 "[ . 1 . 2]" 1
69 1 16 LEU HB2 1 17 ALA H . . 3.630 2.777 2.639 2.898 . 0 0 "[ . 1 . 2]" 1
70 1 16 LEU HB2 1 17 ALA HA . . 4.810 4.613 4.549 4.662 . 0 0 "[ . 1 . 2]" 1
71 1 16 LEU HB3 1 16 LEU MD1 . . 3.330 2.321 2.267 2.355 . 0 0 "[ . 1 . 2]" 1
72 1 16 LEU HB3 1 17 ALA H . . 3.780 3.308 3.085 3.452 . 0 0 "[ . 1 . 2]" 1
73 1 16 LEU HB3 1 17 ALA HA . . 4.870 4.064 3.964 4.147 . 0 0 "[ . 1 . 2]" 1
74 1 16 LEU HB3 1 18 ASP H . . 5.490 5.189 5.117 5.251 . 0 0 "[ . 1 . 2]" 1
75 1 16 LEU HB3 1 20 ALA H . . 5.040 4.519 4.371 4.691 . 0 0 "[ . 1 . 2]" 1
76 1 16 LEU MD1 1 17 ALA H . . 5.240 4.626 4.518 4.718 . 0 0 "[ . 1 . 2]" 1
77 1 16 LEU MD1 1 17 ALA HA . . 5.500 5.336 5.185 5.490 . 0 0 "[ . 1 . 2]" 1
78 1 16 LEU MD1 1 18 ASP H . . 5.500 5.465 5.371 5.501 0.001 10 0 "[ . 1 . 2]" 1
79 1 16 LEU MD1 1 19 LEU H . . 5.090 4.411 4.225 4.554 . 0 0 "[ . 1 . 2]" 1
80 1 16 LEU MD2 1 17 ALA H . . 4.740 4.133 4.069 4.187 . 0 0 "[ . 1 . 2]" 1
81 1 16 LEU MD2 1 18 ASP H . . 5.500 5.386 5.320 5.464 . 0 0 "[ . 1 . 2]" 1
82 1 17 ALA H 1 17 ALA MB . . 2.970 2.113 2.028 2.229 . 0 0 "[ . 1 . 2]" 1
83 1 17 ALA H 1 18 ASP H . . 3.650 2.778 2.728 2.801 . 0 0 "[ . 1 . 2]" 1
84 1 17 ALA H 1 18 ASP QB . . 4.930 4.604 4.517 4.819 . 0 0 "[ . 1 . 2]" 1
85 1 17 ALA H 1 19 LEU H . . 4.450 4.218 4.156 4.292 . 0 0 "[ . 1 . 2]" 1
86 1 17 ALA H 1 20 ALA H . . 4.910 4.893 4.846 4.911 0.001 15 0 "[ . 1 . 2]" 1
87 1 17 ALA HA 1 19 LEU H . . 4.690 4.499 4.385 4.657 . 0 0 "[ . 1 . 2]" 1
88 1 17 ALA HA 1 20 ALA H . . 4.040 3.786 3.642 3.907 . 0 0 "[ . 1 . 2]" 1
89 1 17 ALA HA 1 21 SER H . . 4.860 4.677 4.510 4.824 . 0 0 "[ . 1 . 2]" 1
90 1 17 ALA MB 1 18 ASP H . . 3.430 2.705 2.644 2.788 . 0 0 "[ . 1 . 2]" 1
91 1 17 ALA MB 1 18 ASP HA . . 4.380 3.800 3.744 3.873 . 0 0 "[ . 1 . 2]" 1
92 1 17 ALA MB 1 19 LEU H . . 4.870 4.574 4.521 4.634 . 0 0 "[ . 1 . 2]" 1
93 1 18 ASP H 1 18 ASP QB . . 3.050 2.252 2.151 2.377 . 0 0 "[ . 1 . 2]" 1
94 1 18 ASP H 1 19 LEU H . . 3.250 2.499 2.446 2.549 . 0 0 "[ . 1 . 2]" 1
95 1 18 ASP H 1 19 LEU HA . . 5.420 5.133 5.082 5.180 . 0 0 "[ . 1 . 2]" 1
96 1 18 ASP H 1 19 LEU HB2 . . 4.480 4.456 4.333 4.481 0.001 6 0 "[ . 1 . 2]" 1
97 1 18 ASP H 1 20 ALA H . . 4.380 4.184 4.065 4.250 . 0 0 "[ . 1 . 2]" 1
98 1 18 ASP H 1 21 SER H . . 5.010 4.955 4.864 5.010 . 0 0 "[ . 1 . 2]" 1
99 1 18 ASP HA 1 20 ALA H . . 4.620 4.579 4.415 4.621 0.001 6 0 "[ . 1 . 2]" 1
100 1 18 ASP HA 1 21 SER H . . 4.000 3.600 3.449 3.687 . 0 0 "[ . 1 . 2]" 1
101 1 18 ASP HA 1 21 SER QB . . 3.980 3.053 2.818 3.781 . 0 0 "[ . 1 . 2]" 1
102 1 18 ASP QB 1 19 LEU H . . 3.150 2.657 2.552 2.767 . 0 0 "[ . 1 . 2]" 1
103 1 18 ASP QB 1 20 ALA H . . 5.200 4.885 4.750 4.988 . 0 0 "[ . 1 . 2]" 1
104 1 19 LEU H 1 19 LEU HB2 . . 3.160 2.183 2.125 2.208 . 0 0 "[ . 1 . 2]" 1
105 1 19 LEU H 1 19 LEU HB3 . . 3.110 2.892 2.856 2.977 . 0 0 "[ . 1 . 2]" 1
106 1 19 LEU H 1 19 LEU QD . . 4.480 3.545 3.348 3.758 . 0 0 "[ . 1 . 2]" 1
107 1 19 LEU H 1 20 ALA H . . 3.260 2.705 2.616 2.759 . 0 0 "[ . 1 . 2]" 1
108 1 19 LEU H 1 20 ALA MB . . 4.300 4.237 4.149 4.300 . 0 0 "[ . 1 . 2]" 1
109 1 19 LEU HA 1 19 LEU QD . . 3.250 2.170 1.903 2.611 . 0 0 "[ . 1 . 2]" 1
110 1 19 LEU HA 1 21 SER H . . 4.540 4.127 4.094 4.215 . 0 0 "[ . 1 . 2]" 1
111 1 19 LEU HA 1 22 ASP H . . 4.000 3.430 3.301 3.479 . 0 0 "[ . 1 . 2]" 1
112 1 19 LEU HA 1 22 ASP HB2 . . 4.100 3.998 3.893 4.043 . 0 0 "[ . 1 . 2]" 1
113 1 19 LEU HA 1 22 ASP HB3 . . 4.400 2.504 2.473 2.550 . 0 0 "[ . 1 . 2]" 1
114 1 19 LEU HA 1 23 LEU H . . 4.880 3.776 3.743 3.892 . 0 0 "[ . 1 . 2]" 1
115 1 19 LEU HB2 1 20 ALA H . . 3.500 3.475 3.417 3.499 . 0 0 "[ . 1 . 2]" 1
116 1 19 LEU HB2 1 21 SER H . . 5.500 5.461 5.433 5.480 . 0 0 "[ . 1 . 2]" 1
117 1 19 LEU HB3 1 19 LEU QD . . 2.580 2.173 2.025 2.274 . 0 0 "[ . 1 . 2]" 1
118 1 19 LEU HB3 1 20 ALA H . . 3.490 2.484 2.422 2.604 . 0 0 "[ . 1 . 2]" 1
119 1 19 LEU HB3 1 21 SER H . . 5.170 4.838 4.806 4.914 . 0 0 "[ . 1 . 2]" 1
120 1 19 LEU QD 1 20 ALA H . . 3.950 3.510 3.420 3.670 . 0 0 "[ . 1 . 2]" 1
121 1 19 LEU QD 1 20 ALA HA . . 3.810 3.369 3.231 3.604 . 0 0 "[ . 1 . 2]" 1
122 1 19 LEU QD 1 21 SER H . . 5.000 4.573 4.507 4.791 . 0 0 "[ . 1 . 2]" 1
123 1 19 LEU QD 1 22 ASP H . . 4.280 4.211 4.085 4.281 0.001 11 0 "[ . 1 . 2]" 1
124 1 19 LEU QD 1 22 ASP HB2 . . 5.030 4.461 4.073 4.876 . 0 0 "[ . 1 . 2]" 1
125 1 19 LEU QD 1 22 ASP HB3 . . 4.740 3.145 2.879 3.427 . 0 0 "[ . 1 . 2]" 1
126 1 19 LEU QD 1 23 LEU H . . 3.510 3.144 3.053 3.273 . 0 0 "[ . 1 . 2]" 1
127 1 20 ALA H 1 20 ALA MB . . 2.810 2.063 2.025 2.140 . 0 0 "[ . 1 . 2]" 1
128 1 20 ALA H 1 21 SER H . . 3.400 2.766 2.688 2.789 . 0 0 "[ . 1 . 2]" 1
129 1 20 ALA H 1 22 ASP H . . 4.500 4.466 4.245 4.500 0.000 2 0 "[ . 1 . 2]" 1
130 1 20 ALA H 1 22 ASP HB3 . . 5.400 5.266 5.196 5.278 . 0 0 "[ . 1 . 2]" 1
131 1 20 ALA HA 1 23 LEU H . . 3.960 3.866 3.691 3.919 . 0 0 "[ . 1 . 2]" 1
132 1 20 ALA HA 1 23 LEU HB2 . . 4.030 2.967 2.867 3.013 . 0 0 "[ . 1 . 2]" 1
133 1 20 ALA HA 1 23 LEU HB3 . . 4.240 3.662 3.463 3.725 . 0 0 "[ . 1 . 2]" 1
134 1 20 ALA MB 1 21 SER H . . 3.180 2.770 2.721 2.793 . 0 0 "[ . 1 . 2]" 1
135 1 20 ALA MB 1 21 SER HA . . 4.750 3.788 3.760 3.842 . 0 0 "[ . 1 . 2]" 1
136 1 20 ALA MB 1 22 ASP H . . 4.810 4.795 4.668 4.812 0.002 9 0 "[ . 1 . 2]" 1
137 1 20 ALA MB 1 23 LEU H . . 4.910 4.822 4.734 4.849 . 0 0 "[ . 1 . 2]" 1
138 1 20 ALA MB 1 23 LEU HB2 . . 4.720 4.492 4.434 4.527 . 0 0 "[ . 1 . 2]" 1
139 1 21 SER H 1 21 SER HA . . 2.940 2.873 2.865 2.878 . 0 0 "[ . 1 . 2]" 1
140 1 21 SER H 1 21 SER QB . . 3.660 2.290 2.171 2.638 . 0 0 "[ . 1 . 2]" 1
141 1 21 SER H 1 22 ASP HB2 . . 5.270 5.269 5.256 5.271 0.001 20 0 "[ . 1 . 2]" 1
142 1 21 SER H 1 22 ASP HB3 . . 5.030 4.445 4.427 4.470 . 0 0 "[ . 1 . 2]" 1
143 1 21 SER H 1 23 LEU HB3 . . 5.500 5.501 5.500 5.503 0.003 7 0 "[ . 1 . 2]" 1
144 1 21 SER HA 1 24 LEU H . . 3.940 3.717 3.695 3.818 . 0 0 "[ . 1 . 2]" 1
145 1 21 SER HA 1 24 LEU QB . . 4.070 3.553 3.473 3.841 . 0 0 "[ . 1 . 2]" 1
146 1 21 SER HA 1 25 LEU H . . 5.420 5.255 5.250 5.269 . 0 0 "[ . 1 . 2]" 1
147 1 21 SER HA 1 25 LEU QD . . 4.690 4.488 4.429 4.576 . 0 0 "[ . 1 . 2]" 1
148 1 22 ASP H 1 22 ASP HB2 . . 3.100 2.784 2.773 2.846 . 0 0 "[ . 1 . 2]" 1
149 1 22 ASP H 1 22 ASP HB3 . . 3.270 2.303 2.265 2.313 . 0 0 "[ . 1 . 2]" 1
150 1 22 ASP H 1 23 LEU HB2 . . 4.650 4.626 4.514 4.650 . 0 0 "[ . 1 . 2]" 1
151 1 22 ASP H 1 23 LEU HB3 . . 5.460 5.420 5.234 5.453 . 0 0 "[ . 1 . 2]" 1
152 1 22 ASP H 1 25 LEU HB2 . . 5.500 5.303 5.289 5.334 . 0 0 "[ . 1 . 2]" 1
153 1 22 ASP HA 1 24 LEU H . . 4.490 3.949 3.946 3.951 . 0 0 "[ . 1 . 2]" 1
154 1 22 ASP HA 1 24 LEU QB . . 5.340 4.561 4.527 4.626 . 0 0 "[ . 1 . 2]" 1
155 1 22 ASP HA 1 25 LEU H . . 4.030 3.128 3.115 3.134 . 0 0 "[ . 1 . 2]" 1
156 1 22 ASP HA 1 25 LEU HB2 . . 4.810 2.592 2.565 2.607 . 0 0 "[ . 1 . 2]" 1
157 1 22 ASP HA 1 25 LEU HB3 . . 4.720 4.232 4.206 4.252 . 0 0 "[ . 1 . 2]" 1
158 1 22 ASP HA 1 26 GLN H . . 4.430 4.049 4.048 4.055 . 0 0 "[ . 1 . 2]" 1
159 1 22 ASP HB2 1 23 LEU H . . 4.260 4.125 4.123 4.129 . 0 0 "[ . 1 . 2]" 1
160 1 22 ASP HB2 1 25 LEU H . . 5.500 5.322 5.310 5.324 . 0 0 "[ . 1 . 2]" 1
161 1 22 ASP HB2 1 25 LEU QD . . 5.430 4.420 4.099 4.935 . 0 0 "[ . 1 . 2]" 1
162 1 22 ASP HB2 1 26 GLN H . . 5.500 5.523 5.522 5.528 0.028 13 0 "[ . 1 . 2]" 1
163 1 22 ASP HB3 1 23 LEU H . . 3.570 2.867 2.865 2.875 . 0 0 "[ . 1 . 2]" 1
164 1 22 ASP HB3 1 24 LEU H . . 5.340 5.164 5.162 5.171 . 0 0 "[ . 1 . 2]" 1
165 1 22 ASP HB3 1 25 LEU H . . 5.500 5.438 5.434 5.441 . 0 0 "[ . 1 . 2]" 1
166 1 22 ASP HB3 1 26 GLN H . . 5.500 5.492 5.489 5.502 0.002 13 0 "[ . 1 . 2]" 1
167 1 23 LEU H 1 23 LEU HB2 . . 3.000 2.135 2.129 2.163 . 0 0 "[ . 1 . 2]" 1
168 1 23 LEU H 1 23 LEU HB3 . . 3.430 2.970 2.924 2.980 . 0 0 "[ . 1 . 2]" 1
169 1 23 LEU H 1 24 LEU H . . 3.160 2.794 2.792 2.797 . 0 0 "[ . 1 . 2]" 1
170 1 23 LEU H 1 24 LEU QB . . 4.940 4.599 4.510 4.870 . 0 0 "[ . 1 . 2]" 1
171 1 23 LEU H 1 25 LEU HB2 . . 5.270 5.222 5.209 5.232 . 0 0 "[ . 1 . 2]" 1
172 1 23 LEU HA 1 23 LEU QD . . 3.160 2.230 1.956 2.875 . 0 0 "[ . 1 . 2]" 1
173 1 23 LEU HA 1 26 GLN H . . 3.790 3.467 3.456 3.473 . 0 0 "[ . 1 . 2]" 1
174 1 23 LEU HA 1 26 GLN HB2 . . 4.050 3.535 3.196 3.712 . 0 0 "[ . 1 . 2]" 1
175 1 23 LEU HA 1 26 GLN HB3 . . 4.780 3.027 2.886 3.311 . 0 0 "[ . 1 . 2]" 1
176 1 23 LEU HA 1 27 TYR H . . 4.010 3.645 3.637 3.754 . 0 0 "[ . 1 . 2]" 1
177 1 23 LEU HA 1 30 GLN QG . . 5.340 5.292 5.226 5.340 . 7 0 "[ . 1 . 2]" 1
178 1 23 LEU HB2 1 24 LEU H . . 4.180 3.613 3.604 3.658 . 0 0 "[ . 1 . 2]" 1
179 1 23 LEU HB3 1 24 LEU H . . 3.470 2.776 2.753 2.780 . 0 0 "[ . 1 . 2]" 1
180 1 23 LEU HB3 1 25 LEU H . . 5.190 5.029 5.022 5.031 . 0 0 "[ . 1 . 2]" 1
181 1 23 LEU HB3 1 26 GLN H . . 5.500 5.512 5.511 5.513 0.013 19 0 "[ . 1 . 2]" 1
182 1 23 LEU HB3 1 27 TYR H . . 5.500 5.165 5.153 5.283 . 0 0 "[ . 1 . 2]" 1
183 1 23 LEU QD 1 24 LEU H . . 4.290 3.872 3.630 4.189 . 0 0 "[ . 1 . 2]" 1
184 1 23 LEU QD 1 27 TYR H . . 4.390 3.782 3.243 4.366 . 0 0 "[ . 1 . 2]" 1
185 1 23 LEU QD 1 27 TYR HA . . 4.750 4.085 3.512 4.751 0.001 13 0 "[ . 1 . 2]" 1
186 1 23 LEU QD 1 27 TYR QB . . 4.790 3.039 2.353 4.469 . 0 0 "[ . 1 . 2]" 1
187 1 23 LEU QD 1 30 GLN QG . . 4.440 4.070 3.516 4.441 0.001 18 0 "[ . 1 . 2]" 1
188 1 24 LEU H 1 24 LEU QB . . 2.650 2.229 2.140 2.457 . 0 0 "[ . 1 . 2]" 1
189 1 24 LEU H 1 25 LEU H . . 3.450 2.550 2.544 2.554 . 0 0 "[ . 1 . 2]" 1
190 1 24 LEU H 1 25 LEU QD . . 4.010 3.791 3.660 3.921 . 0 0 "[ . 1 . 2]" 1
191 1 24 LEU H 1 27 TYR QB . . 5.080 4.546 4.541 4.587 . 0 0 "[ . 1 . 2]" 1
192 1 24 LEU HA 1 27 TYR H . . 4.290 3.640 3.615 3.649 . 0 0 "[ . 1 . 2]" 1
193 1 24 LEU HA 1 27 TYR QB . . 3.760 2.637 2.520 2.663 . 0 0 "[ . 1 . 2]" 1
194 1 24 LEU QB 1 25 LEU H . . 2.940 2.686 2.656 2.746 . 0 0 "[ . 1 . 2]" 1
195 1 24 LEU QB 1 25 LEU QD . . 3.270 2.637 2.422 2.830 . 0 0 "[ . 1 . 2]" 1
196 1 24 LEU QB 1 27 TYR QB . . 5.150 4.384 4.241 4.468 . 0 0 "[ . 1 . 2]" 1
197 1 25 LEU H 1 25 LEU HB2 . . 3.270 2.173 2.162 2.180 . 0 0 "[ . 1 . 2]" 1
198 1 25 LEU H 1 25 LEU HB3 . . 3.490 3.484 3.473 3.490 . 0 0 "[ . 1 . 2]" 1
199 1 25 LEU H 1 25 LEU QD . . 3.390 2.331 2.115 2.527 . 0 0 "[ . 1 . 2]" 1
200 1 25 LEU H 1 26 GLN H . . 3.280 2.483 2.475 2.485 . 0 0 "[ . 1 . 2]" 1
201 1 25 LEU H 1 26 GLN HB2 . . 4.730 4.597 4.414 4.719 . 0 0 "[ . 1 . 2]" 1
202 1 25 LEU H 1 26 GLN HB3 . . 5.360 5.063 4.911 5.338 . 0 0 "[ . 1 . 2]" 1
203 1 25 LEU H 1 27 TYR H . . 4.080 3.870 3.866 3.893 . 0 0 "[ . 1 . 2]" 1
204 1 25 LEU H 1 27 TYR QB . . 5.340 4.608 4.555 4.616 . 0 0 "[ . 1 . 2]" 1
205 1 25 LEU HA 1 25 LEU QD . . 3.100 2.503 1.897 2.913 . 0 0 "[ . 1 . 2]" 1
206 1 25 LEU HA 1 27 TYR QB . . 5.210 4.868 4.843 4.874 . 0 0 "[ . 1 . 2]" 1
207 1 25 LEU HA 1 28 LEU H . . 4.330 3.904 3.880 3.935 . 0 0 "[ . 1 . 2]" 1
208 1 25 LEU HA 1 28 LEU HB3 . . 5.500 4.508 4.392 4.628 . 0 0 "[ . 1 . 2]" 1
209 1 25 LEU HB2 1 26 GLN H . . 3.590 2.810 2.800 2.826 . 0 0 "[ . 1 . 2]" 1
210 1 25 LEU HB3 1 26 GLN H . . 3.520 3.322 3.300 3.345 . 0 0 "[ . 1 . 2]" 1
211 1 25 LEU QD 1 26 GLN H . . 4.210 3.899 3.834 3.945 . 0 0 "[ . 1 . 2]" 1
212 1 26 GLN H 1 26 GLN HB2 . . 3.160 2.318 2.158 2.425 . 0 0 "[ . 1 . 2]" 1
213 1 26 GLN H 1 26 GLN HB3 . . 3.270 2.806 2.673 3.044 . 0 0 "[ . 1 . 2]" 1
214 1 26 GLN H 1 27 TYR H . . 3.300 2.488 2.486 2.497 . 0 0 "[ . 1 . 2]" 1
215 1 26 GLN H 1 27 TYR HA . . 5.080 5.089 5.088 5.095 0.015 13 0 "[ . 1 . 2]" 1
216 1 26 GLN H 1 27 TYR QB . . 4.490 4.222 4.170 4.228 . 0 0 "[ . 1 . 2]" 1
217 1 26 GLN H 1 30 GLN QG . . 5.340 5.252 5.090 5.340 . 0 0 "[ . 1 . 2]" 1
218 1 26 GLN HA 1 28 LEU H . . 4.670 4.060 3.984 4.302 . 0 0 "[ . 1 . 2]" 1
219 1 26 GLN HA 1 29 LEU H . . 3.750 3.423 3.342 3.527 . 0 0 "[ . 1 . 2]" 1
220 1 26 GLN HA 1 29 LEU QB . . 5.340 3.280 2.921 3.623 . 0 0 "[ . 1 . 2]" 1
221 1 26 GLN HA 1 30 GLN H . . 4.680 4.262 4.177 4.484 . 0 0 "[ . 1 . 2]" 1
222 1 26 GLN HA 1 30 GLN QG . . 4.400 4.085 3.950 4.294 . 0 0 "[ . 1 . 2]" 1
223 1 26 GLN HB2 1 27 TYR H . . 3.870 3.693 3.468 3.809 . 0 0 "[ . 1 . 2]" 1
224 1 26 GLN HB3 1 27 TYR H . . 3.660 2.772 2.733 2.888 . 0 0 "[ . 1 . 2]" 1
225 1 26 GLN HB3 1 28 LEU H . . 5.390 5.059 5.012 5.213 . 0 0 "[ . 1 . 2]" 1
226 1 26 GLN HB3 1 29 LEU H . . 5.480 5.255 5.067 5.381 . 0 0 "[ . 1 . 2]" 1
227 1 27 TYR H 1 27 TYR QB . . 2.930 2.245 2.090 2.255 . 0 0 "[ . 1 . 2]" 1
228 1 27 TYR H 1 28 LEU H . . 3.210 2.799 2.785 2.852 . 0 0 "[ . 1 . 2]" 1
229 1 27 TYR H 1 28 LEU HB2 . . 4.840 4.756 4.709 4.814 . 0 0 "[ . 1 . 2]" 1
230 1 27 TYR H 1 28 LEU HB3 . . 5.500 5.419 5.376 5.481 . 0 0 "[ . 1 . 2]" 1
231 1 27 TYR H 1 30 GLN QG . . 4.400 3.939 3.668 4.137 . 0 0 "[ . 1 . 2]" 1
232 1 27 TYR HA 1 30 GLN H . . 3.310 3.142 3.016 3.243 . 0 0 "[ . 1 . 2]" 1
233 1 27 TYR HA 1 30 GLN HB2 . . 3.690 2.099 2.017 2.221 . 0 0 "[ . 1 . 2]" 1
234 1 27 TYR HA 1 30 GLN QG . . 3.560 2.520 2.220 2.830 . 0 0 "[ . 1 . 2]" 1
235 1 27 TYR HA 1 31 GLY H . . 5.120 3.982 3.701 4.257 . 0 0 "[ . 1 . 2]" 1
236 1 27 TYR QB 1 28 LEU H . . 3.370 2.668 2.495 2.804 . 0 0 "[ . 1 . 2]" 1
237 1 27 TYR QB 1 28 LEU HB2 . . 4.900 4.251 4.124 4.338 . 0 0 "[ . 1 . 2]" 1
238 1 27 TYR QB 1 28 LEU MD2 . . 5.340 4.469 4.238 4.590 . 0 0 "[ . 1 . 2]" 1
239 1 27 TYR QB 1 29 LEU H . . 5.030 4.776 4.657 4.872 . 0 0 "[ . 1 . 2]" 1
240 1 28 LEU H 1 28 LEU HB2 . . 3.030 2.166 2.139 2.204 . 0 0 "[ . 1 . 2]" 1
241 1 28 LEU H 1 28 LEU HB3 . . 3.520 2.912 2.852 2.952 . 0 0 "[ . 1 . 2]" 1
242 1 28 LEU H 1 28 LEU MD2 . . 3.700 3.533 3.442 3.660 . 0 0 "[ . 1 . 2]" 1
243 1 28 LEU H 1 29 LEU H . . 3.300 2.762 2.694 2.819 . 0 0 "[ . 1 . 2]" 1
244 1 28 LEU H 1 30 GLN H . . 4.720 4.080 4.018 4.143 . 0 0 "[ . 1 . 2]" 1
245 1 28 LEU H 1 30 GLN HB2 . . 5.500 4.914 4.822 4.969 . 0 0 "[ . 1 . 2]" 1
246 1 28 LEU H 1 30 GLN QG . . 5.170 4.897 4.620 5.071 . 0 0 "[ . 1 . 2]" 1
247 1 28 LEU HA 1 28 LEU MD2 . . 2.870 2.088 1.960 2.249 . 0 0 "[ . 1 . 2]" 1
248 1 28 LEU HA 1 30 GLN H . . 4.740 4.660 4.579 4.717 . 0 0 "[ . 1 . 2]" 1
249 1 28 LEU HA 1 31 GLY H . . 4.720 4.096 4.018 4.220 . 0 0 "[ . 1 . 2]" 1
250 1 28 LEU HB2 1 28 LEU MD2 . . 3.480 2.286 2.180 2.355 . 0 0 "[ . 1 . 2]" 1
251 1 28 LEU HB3 1 29 LEU H . . 3.620 2.698 2.560 2.750 . 0 0 "[ . 1 . 2]" 1
252 1 28 LEU MD1 1 29 LEU H . . 3.850 3.708 3.592 3.788 . 0 0 "[ . 1 . 2]" 1
253 1 28 LEU MD1 1 29 LEU HA . . 3.580 3.354 3.256 3.457 . 0 0 "[ . 1 . 2]" 1
254 1 28 LEU MD1 1 31 GLY H . . 5.350 4.925 4.813 5.109 . 0 0 "[ . 1 . 2]" 1
255 1 29 LEU H 1 29 LEU HB2 . . 3.860 2.287 2.179 2.547 . 0 0 "[ . 1 . 2]" 1
256 1 29 LEU H 1 29 LEU QB . . 3.040 2.243 2.158 2.499 . 0 0 "[ . 1 . 2]" 1
257 1 29 LEU H 1 29 LEU HB3 . . 3.860 3.324 2.900 3.633 . 0 0 "[ . 1 . 2]" 1
258 1 29 LEU H 1 30 GLN H . . 3.260 2.337 2.255 2.410 . 0 0 "[ . 1 . 2]" 1
259 1 29 LEU H 1 30 GLN HB2 . . 4.430 4.404 4.350 4.430 . 0 0 "[ . 1 . 2]" 1
260 1 29 LEU H 1 30 GLN QG . . 4.470 4.037 3.838 4.224 . 0 0 "[ . 1 . 2]" 1
261 1 29 LEU QB 1 30 GLN H . . 3.370 2.675 2.609 2.758 . 0 0 "[ . 1 . 2]" 1
262 1 29 LEU QB 1 31 GLY H . . 4.770 4.649 4.603 4.755 . 0 0 "[ . 1 . 2]" 1
263 1 29 LEU HB2 1 30 GLN H . . 3.860 3.052 2.701 3.510 . 0 0 "[ . 1 . 2]" 1
264 1 29 LEU HB2 1 31 GLY H . . 5.500 5.279 5.012 5.499 . 0 0 "[ . 1 . 2]" 1
265 1 29 LEU HB3 1 30 GLN H . . 3.860 3.253 2.691 3.837 . 0 0 "[ . 1 . 2]" 1
266 1 29 LEU HB3 1 31 GLY H . . 5.500 5.204 4.937 5.479 . 0 0 "[ . 1 . 2]" 1
267 1 30 GLN H 1 30 GLN HB2 . . 3.260 2.438 2.391 2.512 . 0 0 "[ . 1 . 2]" 1
268 1 30 GLN H 1 30 GLN QG . . 3.320 2.330 2.212 2.393 . 0 0 "[ . 1 . 2]" 1
269 1 30 GLN H 1 31 GLY H . . 3.620 2.780 2.726 2.804 . 0 0 "[ . 1 . 2]" 1
270 1 30 GLN H 1 31 GLY QA . . 5.030 4.668 4.589 4.728 . 0 0 "[ . 1 . 2]" 1
271 1 30 GLN HB2 1 31 GLY H . . 4.090 2.744 2.651 2.806 . 0 0 "[ . 1 . 2]" 1
272 1 30 GLN QG 1 31 GLY H . . 4.560 4.177 4.084 4.242 . 0 0 "[ . 1 . 2]" 1
273 1 32 GLY H 1 33 ALA MB . . 5.320 4.261 3.310 5.319 . 0 0 "[ . 1 . 2]" 1
274 1 32 GLY QA 1 33 ALA H . . 3.120 2.422 2.113 2.748 . 0 0 "[ . 1 . 2]" 1
275 1 32 GLY QA 1 33 ALA HA . . 4.600 4.048 3.944 4.188 . 0 0 "[ . 1 . 2]" 1
276 1 32 GLY QA 1 34 ARG H . . 4.530 3.900 3.435 4.530 . 0 0 "[ . 1 . 2]" 1
277 1 32 GLY QA 1 35 GLN H . . 5.230 3.690 3.199 4.586 . 0 0 "[ . 1 . 2]" 1
278 1 33 ALA H 1 33 ALA MB . . 3.120 2.206 2.086 2.361 . 0 0 "[ . 1 . 2]" 1
279 1 33 ALA MB 1 34 ARG H . . 3.630 2.441 2.066 2.772 . 0 0 "[ . 1 . 2]" 1
280 1 33 ALA MB 1 34 ARG HA . . 4.010 3.806 3.679 4.008 . 0 0 "[ . 1 . 2]" 1
281 1 34 ARG H 1 34 ARG HB3 . . 2.990 2.720 2.389 3.009 0.019 19 0 "[ . 1 . 2]" 1
282 1 34 ARG H 1 34 ARG QD . . 4.690 3.949 1.982 4.634 . 0 0 "[ . 1 . 2]" 1
283 1 34 ARG H 1 34 ARG QG . . 3.960 3.038 1.937 3.960 0.000 20 0 "[ . 1 . 2]" 1
284 1 34 ARG H 1 35 GLN H . . 3.720 2.530 2.019 2.906 . 0 0 "[ . 1 . 2]" 1
285 1 34 ARG H 1 35 GLN QB . . 4.690 4.465 3.792 4.687 . 0 0 "[ . 1 . 2]" 1
286 1 34 ARG H 1 35 GLN QG . . 5.120 4.623 3.541 5.118 . 0 0 "[ . 1 . 2]" 1
287 1 34 ARG HA 1 34 ARG QG . . 3.450 2.863 2.161 3.426 . 0 0 "[ . 1 . 2]" 1
288 1 34 ARG HB2 1 35 GLN H . . 4.420 3.670 3.400 3.864 . 0 0 "[ . 1 . 2]" 1
289 1 34 ARG HB3 1 35 GLN H . . 4.320 3.163 2.039 4.086 . 0 0 "[ . 1 . 2]" 1
290 1 34 ARG QD 1 35 GLN H . . 5.340 3.102 2.488 4.267 . 0 0 "[ . 1 . 2]" 1
291 1 34 ARG QD 1 35 GLN HA . . 5.340 3.318 2.491 5.347 0.007 19 0 "[ . 1 . 2]" 1
292 1 34 ARG QD 1 35 GLN QB . . 4.370 3.903 2.557 4.373 0.003 20 0 "[ . 1 . 2]" 1
293 1 34 ARG QD 1 36 ARG H . . 5.340 4.864 3.294 5.345 0.005 15 0 "[ . 1 . 2]" 1
294 1 34 ARG QG 1 35 GLN H . . 4.620 3.047 1.944 4.517 . 0 0 "[ . 1 . 2]" 1
295 1 35 GLN H 1 35 GLN QG . . 4.120 2.712 2.059 3.380 . 0 0 "[ . 1 . 2]" 1
296 1 35 GLN QB 1 36 ARG H . . 4.230 2.578 2.006 3.910 . 0 0 "[ . 1 . 2]" 1
297 1 35 GLN QB 1 36 ARG QB . . 4.320 3.889 3.225 4.312 . 0 0 "[ . 1 . 2]" 1
298 1 35 GLN HB2 1 36 ARG H . . 4.830 3.282 2.109 4.453 . 0 0 "[ . 1 . 2]" 1
299 1 35 GLN HB3 1 36 ARG H . . 4.830 2.972 2.025 4.375 . 0 0 "[ . 1 . 2]" 1
300 1 35 GLN QG 1 36 ARG H . . 5.230 3.991 3.034 4.552 . 0 0 "[ . 1 . 2]" 1
301 1 36 ARG H 1 36 ARG QB . . 3.590 2.549 2.204 3.358 . 0 0 "[ . 1 . 2]" 1
302 1 36 ARG H 1 36 ARG QD . . 5.340 4.244 2.767 5.132 . 0 0 "[ . 1 . 2]" 1
303 1 36 ARG H 1 36 ARG QG . . 4.300 3.586 1.950 4.301 0.001 20 0 "[ . 1 . 2]" 1
304 1 36 ARG HB2 1 37 GLY H . . 5.300 4.035 2.605 4.645 . 0 0 "[ . 1 . 2]" 1
305 1 36 ARG HB3 1 37 GLY H . . 5.300 3.741 2.166 4.478 . 0 0 "[ . 1 . 2]" 1
306 1 36 ARG QG 1 37 GLY H . . 5.280 3.577 2.037 4.711 . 0 0 "[ . 1 . 2]" 1
307 1 37 GLY H 1 38 LEU H . . 5.500 4.001 2.721 4.610 . 0 0 "[ . 1 . 2]" 1
308 1 37 GLY QA 1 38 LEU H . . 3.110 2.239 2.112 2.751 . 0 0 "[ . 1 . 2]" 1
309 1 37 GLY QA 1 39 GLY H . . 4.960 3.976 3.345 4.914 . 0 0 "[ . 1 . 2]" 1
310 1 38 LEU H 1 38 LEU QB . . 3.600 2.716 2.219 3.344 . 0 0 "[ . 1 . 2]" 1
311 1 38 LEU H 1 38 LEU MD1 . . 5.500 3.722 2.564 4.234 . 0 0 "[ . 1 . 2]" 1
312 1 38 LEU H 1 38 LEU QD . . 4.820 3.025 2.122 3.868 . 0 0 "[ . 1 . 2]" 1
313 1 38 LEU H 1 38 LEU MD2 . . 5.500 3.599 2.131 4.573 . 0 0 "[ . 1 . 2]" 1
314 1 38 LEU HA 1 38 LEU QD . . 3.690 2.796 2.024 3.439 . 0 0 "[ . 1 . 2]" 1
315 1 38 LEU HA 1 38 LEU HG . . 4.000 3.111 2.270 3.703 . 0 0 "[ . 1 . 2]" 1
316 1 38 LEU MD1 1 39 GLY H . . 5.500 4.572 2.358 5.469 . 0 0 "[ . 1 . 2]" 1
317 1 38 LEU MD2 1 39 GLY H . . 5.500 4.540 3.231 5.487 . 0 0 "[ . 1 . 2]" 1
318 1 38 LEU HG 1 39 GLY H . . 4.930 4.172 2.036 4.901 . 0 0 "[ . 1 . 2]" 1
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