NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
521309 |
2ljl   |
17948 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ljl
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 320
_Distance_constraint_stats_list.Viol_count 1475
_Distance_constraint_stats_list.Viol_total 2775.170
_Distance_constraint_stats_list.Viol_max 0.469
_Distance_constraint_stats_list.Viol_rms 0.0575
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0217
_Distance_constraint_stats_list.Viol_average_violations_only 0.0941
_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 72 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 SER 0.080 0.079 13 0 "[ . 1 . 2]"
1 74 LEU 5.155 0.218 16 0 "[ . 1 . 2]"
1 75 ALA 4.356 0.218 16 0 "[ . 1 . 2]"
1 76 ASP 0.310 0.017 4 0 "[ . 1 . 2]"
1 77 GLN 4.842 0.160 20 0 "[ . 1 . 2]"
1 78 ALA 3.507 0.160 20 0 "[ . 1 . 2]"
1 79 ARG 0.926 0.020 10 0 "[ . 1 . 2]"
1 80 ASP 0.015 0.002 4 0 "[ . 1 . 2]"
1 81 TYR 0.671 0.039 15 0 "[ . 1 . 2]"
1 82 MET 18.541 0.295 10 0 "[ . 1 . 2]"
1 83 GLY 4.846 0.107 14 0 "[ . 1 . 2]"
1 84 ALA 6.453 0.244 19 0 "[ . 1 . 2]"
1 85 ALA 14.113 0.329 18 0 "[ . 1 . 2]"
1 86 LYS 9.488 0.329 18 0 "[ . 1 . 2]"
1 87 SER 0.362 0.029 19 0 "[ . 1 . 2]"
1 88 LYS 7.779 0.198 17 0 "[ . 1 . 2]"
1 89 LEU 24.486 0.399 15 0 "[ . 1 . 2]"
1 90 ASN 26.739 0.243 16 0 "[ . 1 . 2]"
1 91 ASP 16.528 0.327 15 0 "[ . 1 . 2]"
1 92 ALA 10.017 0.327 15 0 "[ . 1 . 2]"
1 93 VAL 14.481 0.469 18 0 "[ . 1 . 2]"
1 94 GLU 4.051 0.136 15 0 "[ . 1 . 2]"
1 95 TYR 3.476 0.175 7 0 "[ . 1 . 2]"
1 96 VAL 8.066 0.219 8 0 "[ . 1 . 2]"
1 97 SER 10.583 0.219 8 0 "[ . 1 . 2]"
1 98 GLY 0.702 0.033 20 0 "[ . 1 . 2]"
1 99 ARG 5.070 0.175 4 0 "[ . 1 . 2]"
1 100 VAL 12.078 0.300 4 0 "[ . 1 . 2]"
1 101 HIS 0.388 0.079 4 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 72 GLU HA 1 73 SER H . . 2.990 2.697 2.164 2.972 . 0 0 "[ . 1 . 2]" 1
2 1 72 GLU QB 1 73 SER H . . 4.020 3.048 1.938 4.019 . 0 0 "[ . 1 . 2]" 1
3 1 73 SER H 1 73 SER HA . . 2.940 2.720 2.275 2.939 . 0 0 "[ . 1 . 2]" 1
4 1 73 SER H 1 73 SER HB2 . . 3.700 2.714 2.071 3.668 . 0 0 "[ . 1 . 2]" 1
5 1 73 SER H 1 73 SER QB . . 3.220 2.568 2.050 3.202 . 0 0 "[ . 1 . 2]" 1
6 1 73 SER H 1 73 SER HB3 . . 3.700 3.417 2.929 3.779 0.079 13 0 "[ . 1 . 2]" 1
7 1 73 SER HB2 1 74 LEU H . . 3.980 3.295 2.012 3.720 . 0 0 "[ . 1 . 2]" 1
8 1 73 SER HB3 1 74 LEU H . . 3.980 2.800 1.917 3.698 . 0 0 "[ . 1 . 2]" 1
9 1 74 LEU H 1 74 LEU HB2 . . 3.590 2.053 2.042 2.062 . 0 0 "[ . 1 . 2]" 1
10 1 74 LEU H 1 74 LEU QB . . 2.870 2.034 2.021 2.044 . 0 0 "[ . 1 . 2]" 1
11 1 74 LEU H 1 74 LEU HB3 . . 3.590 3.307 3.241 3.354 . 0 0 "[ . 1 . 2]" 1
12 1 74 LEU H 1 74 LEU MD1 . . 5.350 4.046 3.238 4.255 . 0 0 "[ . 1 . 2]" 1
13 1 74 LEU H 1 74 LEU QD . . 4.540 2.772 2.454 3.172 . 0 0 "[ . 1 . 2]" 1
14 1 74 LEU H 1 74 LEU MD2 . . 5.350 2.996 2.474 4.453 . 0 0 "[ . 1 . 2]" 1
15 1 74 LEU H 1 75 ALA H . . 3.670 2.628 2.602 2.634 . 0 0 "[ . 1 . 2]" 1
16 1 74 LEU HA 1 74 LEU MD1 . . 3.210 2.402 2.029 3.268 0.058 20 0 "[ . 1 . 2]" 1
17 1 74 LEU HA 1 74 LEU QD . . 2.760 2.076 1.830 2.911 0.151 16 0 "[ . 1 . 2]" 1
18 1 74 LEU HA 1 74 LEU MD2 . . 3.210 2.299 1.976 3.268 0.058 16 0 "[ . 1 . 2]" 1
19 1 74 LEU HA 1 74 LEU HG . . 4.070 3.406 2.110 3.640 . 0 0 "[ . 1 . 2]" 1
20 1 74 LEU HA 1 75 ALA H . . 3.190 3.407 3.406 3.408 0.218 16 0 "[ . 1 . 2]" 1
21 1 74 LEU QB 1 74 LEU QD . . 2.680 2.001 1.848 2.081 . 0 0 "[ . 1 . 2]" 1
22 1 74 LEU QB 1 75 ALA H . . 3.110 3.111 3.110 3.111 0.001 7 0 "[ . 1 . 2]" 1
23 1 74 LEU HB2 1 75 ALA H . . 3.550 3.488 3.438 3.550 0.000 15 0 "[ . 1 . 2]" 1
24 1 74 LEU HB3 1 75 ALA H . . 3.550 3.502 3.439 3.551 0.001 11 0 "[ . 1 . 2]" 1
25 1 75 ALA H 1 75 ALA HA . . 2.860 2.786 2.758 2.855 . 0 0 "[ . 1 . 2]" 1
26 1 75 ALA H 1 75 ALA MB . . 2.550 2.178 2.028 2.240 . 0 0 "[ . 1 . 2]" 1
27 1 75 ALA H 1 76 ASP H . . 2.980 2.732 2.525 2.892 . 0 0 "[ . 1 . 2]" 1
28 1 75 ALA HA 1 78 ALA H . . 3.820 3.487 3.333 3.813 . 0 0 "[ . 1 . 2]" 1
29 1 75 ALA HA 1 78 ALA MB . . 2.870 2.765 2.572 2.870 . 0 0 "[ . 1 . 2]" 1
30 1 75 ALA MB 1 76 ASP H . . 2.780 2.659 2.448 2.781 0.001 18 0 "[ . 1 . 2]" 1
31 1 76 ASP H 1 76 ASP HB2 . . 3.250 2.223 2.070 2.673 . 0 0 "[ . 1 . 2]" 1
32 1 76 ASP H 1 76 ASP QB . . 2.520 2.134 2.047 2.253 . 0 0 "[ . 1 . 2]" 1
33 1 76 ASP H 1 76 ASP HB3 . . 3.250 2.962 2.398 3.247 . 0 0 "[ . 1 . 2]" 1
34 1 76 ASP H 1 77 GLN H . . 2.950 2.807 2.599 2.885 . 0 0 "[ . 1 . 2]" 1
35 1 76 ASP H 1 78 ALA H . . 4.750 4.091 3.919 4.216 . 0 0 "[ . 1 . 2]" 1
36 1 76 ASP HA 1 77 GLN H . . 3.570 3.557 3.541 3.561 . 0 0 "[ . 1 . 2]" 1
37 1 76 ASP HA 1 79 ARG H . . 3.770 3.318 3.259 3.341 . 0 0 "[ . 1 . 2]" 1
38 1 76 ASP HA 1 79 ARG HB2 . . 3.640 2.642 2.611 2.675 . 0 0 "[ . 1 . 2]" 1
39 1 76 ASP HA 1 79 ARG QB . . 3.080 2.584 2.557 2.612 . 0 0 "[ . 1 . 2]" 1
40 1 76 ASP HA 1 79 ARG HB3 . . 3.640 3.655 3.654 3.657 0.017 4 0 "[ . 1 . 2]" 1
41 1 76 ASP QB 1 77 GLN H . . 2.970 2.444 2.332 2.653 . 0 0 "[ . 1 . 2]" 1
42 1 77 GLN H 1 77 GLN HA . . 2.890 2.769 2.768 2.770 . 0 0 "[ . 1 . 2]" 1
43 1 77 GLN H 1 77 GLN HB2 . . 3.500 2.702 2.701 2.702 . 0 0 "[ . 1 . 2]" 1
44 1 77 GLN H 1 77 GLN QB . . 2.880 2.626 2.626 2.627 . 0 0 "[ . 1 . 2]" 1
45 1 77 GLN H 1 77 GLN HB3 . . 3.500 3.578 3.577 3.579 0.079 4 0 "[ . 1 . 2]" 1
46 1 77 GLN H 1 77 GLN HG2 . . 3.360 2.892 2.891 2.893 . 0 0 "[ . 1 . 2]" 1
47 1 77 GLN H 1 77 GLN QG . . 2.830 1.919 1.918 1.919 . 0 0 "[ . 1 . 2]" 1
48 1 77 GLN H 1 77 GLN HG3 . . 3.360 1.947 1.947 1.948 . 0 0 "[ . 1 . 2]" 1
49 1 77 GLN H 1 78 ALA H . . 2.860 2.754 2.752 2.754 . 0 0 "[ . 1 . 2]" 1
50 1 77 GLN HA 1 77 GLN QE . . 5.310 4.708 3.810 4.978 . 0 0 "[ . 1 . 2]" 1
51 1 77 GLN HA 1 77 GLN HG2 . . 3.310 2.599 2.598 2.600 . 0 0 "[ . 1 . 2]" 1
52 1 77 GLN HA 1 77 GLN QG . . 2.720 2.510 2.510 2.511 . 0 0 "[ . 1 . 2]" 1
53 1 77 GLN HA 1 77 GLN HG3 . . 3.310 3.315 3.314 3.316 0.006 10 0 "[ . 1 . 2]" 1
54 1 77 GLN HA 1 78 ALA H . . 3.350 3.509 3.508 3.510 0.160 20 0 "[ . 1 . 2]" 1
55 1 77 GLN HA 1 80 ASP H . . 3.700 3.662 3.642 3.694 . 0 0 "[ . 1 . 2]" 1
56 1 77 GLN HA 1 80 ASP HB2 . . 3.610 3.077 3.043 3.129 . 0 0 "[ . 1 . 2]" 1
57 1 77 GLN HA 1 80 ASP HB3 . . 3.610 3.610 3.608 3.612 0.002 4 0 "[ . 1 . 2]" 1
58 1 77 GLN QB 1 78 ALA H . . 3.400 2.700 2.698 2.703 . 0 0 "[ . 1 . 2]" 1
59 1 77 GLN HB2 1 78 ALA H . . 3.950 2.752 2.750 2.755 . 0 0 "[ . 1 . 2]" 1
60 1 77 GLN HB3 1 78 ALA H . . 3.950 3.906 3.905 3.908 . 0 0 "[ . 1 . 2]" 1
61 1 77 GLN QG 1 78 ALA H . . 3.890 3.872 3.871 3.873 . 0 0 "[ . 1 . 2]" 1
62 1 78 ALA H 1 78 ALA MB . . 2.490 2.153 2.049 2.254 . 0 0 "[ . 1 . 2]" 1
63 1 78 ALA H 1 79 ARG H . . 3.240 2.558 2.546 2.567 . 0 0 "[ . 1 . 2]" 1
64 1 78 ALA HA 1 79 ARG H . . 3.530 3.547 3.542 3.550 0.020 10 0 "[ . 1 . 2]" 1
65 1 78 ALA HA 1 81 TYR H . . 3.520 3.515 3.493 3.520 0.000 10 0 "[ . 1 . 2]" 1
66 1 78 ALA HA 1 81 TYR HB2 . . 3.690 3.649 3.422 3.690 0.000 4 0 "[ . 1 . 2]" 1
67 1 78 ALA HA 1 81 TYR HB3 . . 3.690 3.612 3.369 3.687 . 0 0 "[ . 1 . 2]" 1
68 1 78 ALA MB 1 79 ARG H . . 3.100 2.570 2.479 2.659 . 0 0 "[ . 1 . 2]" 1
69 1 79 ARG H 1 79 ARG HB2 . . 3.460 2.061 2.061 2.062 . 0 0 "[ . 1 . 2]" 1
70 1 79 ARG H 1 79 ARG QB . . 2.860 2.040 2.039 2.040 . 0 0 "[ . 1 . 2]" 1
71 1 79 ARG H 1 79 ARG HB3 . . 3.460 3.243 3.241 3.244 . 0 0 "[ . 1 . 2]" 1
72 1 79 ARG H 1 79 ARG QG . . 3.410 3.424 3.423 3.425 0.015 4 0 "[ . 1 . 2]" 1
73 1 79 ARG H 1 80 ASP H . . 3.370 2.654 2.629 2.684 . 0 0 "[ . 1 . 2]" 1
74 1 79 ARG HA 1 79 ARG HG2 . . 3.700 2.322 2.243 2.360 . 0 0 "[ . 1 . 2]" 1
75 1 79 ARG HA 1 79 ARG QG . . 3.200 2.276 2.155 2.329 . 0 0 "[ . 1 . 2]" 1
76 1 79 ARG HA 1 79 ARG HG3 . . 3.700 3.366 2.764 3.565 . 0 0 "[ . 1 . 2]" 1
77 1 79 ARG HA 1 82 MET H . . 3.740 3.466 3.393 3.506 . 0 0 "[ . 1 . 2]" 1
78 1 79 ARG HA 1 82 MET HB2 . . 3.660 2.228 2.186 2.262 . 0 0 "[ . 1 . 2]" 1
79 1 79 ARG HA 1 82 MET QB . . 3.190 2.209 2.167 2.242 . 0 0 "[ . 1 . 2]" 1
80 1 79 ARG HA 1 82 MET HB3 . . 3.660 3.633 3.576 3.660 . 0 0 "[ . 1 . 2]" 1
81 1 79 ARG QB 1 79 ARG QD . . 2.900 2.210 2.064 2.314 . 0 0 "[ . 1 . 2]" 1
82 1 79 ARG QB 1 80 ASP H . . 3.320 2.869 2.764 2.928 . 0 0 "[ . 1 . 2]" 1
83 1 79 ARG HB2 1 79 ARG HD2 . . 4.050 3.688 2.649 4.049 . 0 0 "[ . 1 . 2]" 1
84 1 79 ARG HB2 1 79 ARG HD3 . . 4.050 3.500 2.602 3.920 . 0 0 "[ . 1 . 2]" 1
85 1 79 ARG HB2 1 80 ASP H . . 4.050 3.353 3.266 3.402 . 0 0 "[ . 1 . 2]" 1
86 1 79 ARG HB3 1 79 ARG HD2 . . 4.050 2.839 2.150 3.613 . 0 0 "[ . 1 . 2]" 1
87 1 79 ARG HB3 1 79 ARG HD3 . . 4.050 2.642 2.195 3.453 . 0 0 "[ . 1 . 2]" 1
88 1 79 ARG HB3 1 80 ASP H . . 4.050 3.118 2.983 3.196 . 0 0 "[ . 1 . 2]" 1
89 1 79 ARG QD 1 79 ARG QG . . 2.330 2.052 2.024 2.089 . 0 0 "[ . 1 . 2]" 1
90 1 80 ASP H 1 80 ASP HB2 . . 3.080 2.190 2.146 2.215 . 0 0 "[ . 1 . 2]" 1
91 1 80 ASP H 1 80 ASP HB3 . . 3.080 2.969 2.945 3.025 . 0 0 "[ . 1 . 2]" 1
92 1 80 ASP H 1 81 TYR H . . 3.120 2.669 2.641 2.688 . 0 0 "[ . 1 . 2]" 1
93 1 80 ASP HB2 1 81 TYR H . . 3.380 3.379 3.370 3.382 0.002 20 0 "[ . 1 . 2]" 1
94 1 80 ASP HB3 1 81 TYR H . . 3.380 2.467 2.434 2.584 . 0 0 "[ . 1 . 2]" 1
95 1 81 TYR H 1 81 TYR HB2 . . 3.410 2.214 2.150 2.303 . 0 0 "[ . 1 . 2]" 1
96 1 81 TYR H 1 81 TYR QB . . 2.780 2.152 2.109 2.206 . 0 0 "[ . 1 . 2]" 1
97 1 81 TYR H 1 81 TYR HB3 . . 3.410 2.940 2.822 3.049 . 0 0 "[ . 1 . 2]" 1
98 1 81 TYR H 1 82 MET H . . 3.240 2.508 2.480 2.525 . 0 0 "[ . 1 . 2]" 1
99 1 81 TYR HA 1 84 ALA H . . 3.400 3.433 3.414 3.439 0.039 15 0 "[ . 1 . 2]" 1
100 1 81 TYR HA 1 84 ALA MB . . 3.120 2.538 2.250 2.606 . 0 0 "[ . 1 . 2]" 1
101 1 81 TYR QB 1 82 MET H . . 3.190 2.912 2.890 2.935 . 0 0 "[ . 1 . 2]" 1
102 1 82 MET H 1 82 MET HB2 . . 3.180 2.161 2.158 2.162 . 0 0 "[ . 1 . 2]" 1
103 1 82 MET H 1 82 MET QB . . 2.760 2.140 2.138 2.142 . 0 0 "[ . 1 . 2]" 1
104 1 82 MET H 1 82 MET HB3 . . 3.180 3.474 3.473 3.475 0.295 10 0 "[ . 1 . 2]" 1
105 1 82 MET H 1 82 MET HG2 . . 3.320 3.313 3.308 3.322 0.002 18 0 "[ . 1 . 2]" 1
106 1 82 MET H 1 82 MET HG3 . . 3.320 3.370 3.368 3.374 0.054 18 0 "[ . 1 . 2]" 1
107 1 82 MET HA 1 82 MET QB . . 2.500 2.506 2.503 2.508 0.008 6 0 "[ . 1 . 2]" 1
108 1 82 MET HA 1 82 MET HG2 . . 3.620 2.113 2.111 2.120 . 0 0 "[ . 1 . 2]" 1
109 1 82 MET HA 1 82 MET QG . . 3.150 2.094 2.092 2.101 . 0 0 "[ . 1 . 2]" 1
110 1 82 MET HA 1 82 MET HG3 . . 3.620 3.419 3.416 3.424 . 0 0 "[ . 1 . 2]" 1
111 1 82 MET HA 1 85 ALA H . . 3.650 3.344 3.290 3.531 . 0 0 "[ . 1 . 2]" 1
112 1 82 MET HA 1 85 ALA MB . . 3.040 2.594 2.378 2.998 . 0 0 "[ . 1 . 2]" 1
113 1 82 MET HA 1 86 LYS H . . 4.700 4.649 4.204 4.724 0.024 9 0 "[ . 1 . 2]" 1
114 1 82 MET QB 1 82 MET QG . . 2.080 2.023 2.022 2.024 . 0 0 "[ . 1 . 2]" 1
115 1 82 MET QB 1 83 GLY H . . 3.290 2.340 2.335 2.342 . 0 0 "[ . 1 . 2]" 1
116 1 82 MET HB2 1 82 MET HG2 . . 2.700 2.817 2.816 2.819 0.119 18 0 "[ . 1 . 2]" 1
117 1 82 MET HB2 1 82 MET HG3 . . 2.700 2.204 2.203 2.205 . 0 0 "[ . 1 . 2]" 1
118 1 82 MET HB2 1 83 GLY H . . 3.780 2.543 2.528 2.548 . 0 0 "[ . 1 . 2]" 1
119 1 82 MET HB3 1 82 MET HG2 . . 2.700 2.853 2.852 2.854 0.154 16 0 "[ . 1 . 2]" 1
120 1 82 MET HB3 1 82 MET HG3 . . 2.700 2.811 2.810 2.812 0.112 18 0 "[ . 1 . 2]" 1
121 1 82 MET HB3 1 83 GLY H . . 3.780 2.733 2.728 2.745 . 0 0 "[ . 1 . 2]" 1
122 1 82 MET HG2 1 83 GLY H . . 4.610 4.715 4.711 4.717 0.107 14 0 "[ . 1 . 2]" 1
123 1 82 MET HG3 1 83 GLY H . . 4.610 4.683 4.672 4.686 0.076 13 0 "[ . 1 . 2]" 1
124 1 83 GLY H 1 83 GLY HA2 . . 2.810 2.775 2.764 2.816 0.006 17 0 "[ . 1 . 2]" 1
125 1 83 GLY H 1 83 GLY HA3 . . 2.720 2.297 2.294 2.298 . 0 0 "[ . 1 . 2]" 1
126 1 83 GLY H 1 84 ALA H . . 3.140 2.766 2.657 2.796 . 0 0 "[ . 1 . 2]" 1
127 1 83 GLY HA2 1 84 ALA H . . 3.420 3.484 3.455 3.494 0.074 2 0 "[ . 1 . 2]" 1
128 1 83 GLY HA3 1 84 ALA H . . 3.080 2.975 2.953 3.037 . 0 0 "[ . 1 . 2]" 1
129 1 84 ALA H 1 84 ALA MB . . 2.460 2.266 2.117 2.279 . 0 0 "[ . 1 . 2]" 1
130 1 84 ALA H 1 85 ALA H . . 2.840 2.374 2.365 2.382 . 0 0 "[ . 1 . 2]" 1
131 1 84 ALA HA 1 85 ALA H . . 3.270 3.486 3.482 3.514 0.244 19 0 "[ . 1 . 2]" 1
132 1 84 ALA MB 1 85 ALA H . . 2.780 2.785 2.703 2.792 0.012 18 0 "[ . 1 . 2]" 1
133 1 85 ALA H 1 85 ALA HA . . 2.640 2.828 2.822 2.848 0.208 11 0 "[ . 1 . 2]" 1
134 1 85 ALA H 1 85 ALA MB . . 2.530 2.143 2.037 2.232 . 0 0 "[ . 1 . 2]" 1
135 1 85 ALA HA 1 86 LYS H . . 3.210 3.488 3.471 3.539 0.329 18 0 "[ . 1 . 2]" 1
136 1 85 ALA HA 1 88 LYS HB2 . . 3.630 2.560 2.456 2.610 . 0 0 "[ . 1 . 2]" 1
137 1 85 ALA HA 1 88 LYS HB3 . . 3.830 3.844 3.820 3.891 0.061 19 0 "[ . 1 . 2]" 1
138 1 85 ALA MB 1 86 LYS H . . 3.360 2.815 2.574 2.935 . 0 0 "[ . 1 . 2]" 1
139 1 86 LYS H 1 86 LYS HA . . 2.900 2.846 2.828 2.852 . 0 0 "[ . 1 . 2]" 1
140 1 86 LYS H 1 86 LYS HB2 . . 3.500 2.898 2.645 3.589 0.089 3 0 "[ . 1 . 2]" 1
141 1 86 LYS H 1 86 LYS HB3 . . 3.500 3.365 2.660 3.599 0.099 14 0 "[ . 1 . 2]" 1
142 1 86 LYS H 1 86 LYS HD2 . . 4.300 4.005 3.291 4.307 0.007 17 0 "[ . 1 . 2]" 1
143 1 86 LYS H 1 86 LYS QD . . 3.570 3.272 2.896 3.667 0.097 19 0 "[ . 1 . 2]" 1
144 1 86 LYS H 1 86 LYS HD3 . . 4.300 3.579 2.971 4.301 0.001 14 0 "[ . 1 . 2]" 1
145 1 86 LYS H 1 86 LYS HG2 . . 3.490 2.314 1.908 3.261 . 0 0 "[ . 1 . 2]" 1
146 1 86 LYS H 1 86 LYS HG3 . . 3.490 2.981 1.907 3.507 0.017 15 0 "[ . 1 . 2]" 1
147 1 86 LYS H 1 87 SER H . . 3.040 2.756 2.622 2.810 . 0 0 "[ . 1 . 2]" 1
148 1 86 LYS H 1 88 LYS H . . 3.800 3.837 3.823 3.882 0.082 18 0 "[ . 1 . 2]" 1
149 1 86 LYS HA 1 86 LYS HG2 . . 4.170 3.318 2.745 4.168 . 0 0 "[ . 1 . 2]" 1
150 1 86 LYS HA 1 86 LYS QG . . 3.510 3.061 2.585 3.383 . 0 0 "[ . 1 . 2]" 1
151 1 86 LYS HA 1 86 LYS HG3 . . 4.170 3.673 3.154 3.845 . 0 0 "[ . 1 . 2]" 1
152 1 86 LYS HA 1 89 LEU H . . 3.890 3.499 3.409 3.537 . 0 0 "[ . 1 . 2]" 1
153 1 86 LYS HA 1 89 LEU HB2 . . 3.890 2.752 2.661 3.576 . 0 0 "[ . 1 . 2]" 1
154 1 86 LYS HA 1 89 LEU QB . . 3.370 2.661 2.619 2.758 . 0 0 "[ . 1 . 2]" 1
155 1 86 LYS HA 1 89 LEU HB3 . . 3.890 3.854 2.733 3.943 0.053 11 0 "[ . 1 . 2]" 1
156 1 86 LYS HA 1 89 LEU QD . . 3.880 3.722 3.643 3.905 0.025 15 0 "[ . 1 . 2]" 1
157 1 86 LYS QB 1 86 LYS QD . . 2.640 2.242 1.998 2.641 0.001 1 0 "[ . 1 . 2]" 1
158 1 86 LYS QB 1 87 SER H . . 3.290 2.363 2.046 3.319 0.029 19 0 "[ . 1 . 2]" 1
159 1 86 LYS HB2 1 87 SER H . . 3.940 2.440 2.063 3.572 . 0 0 "[ . 1 . 2]" 1
160 1 86 LYS HB3 1 87 SER H . . 3.940 3.520 3.363 3.941 0.001 19 0 "[ . 1 . 2]" 1
161 1 86 LYS QG 1 87 SER H . . 3.730 3.206 1.988 3.706 . 0 0 "[ . 1 . 2]" 1
162 1 87 SER H 1 87 SER HB2 . . 3.490 2.445 2.076 3.108 . 0 0 "[ . 1 . 2]" 1
163 1 87 SER H 1 87 SER QB . . 2.870 2.174 2.056 2.852 . 0 0 "[ . 1 . 2]" 1
164 1 87 SER H 1 87 SER HB3 . . 3.490 2.846 2.126 3.464 . 0 0 "[ . 1 . 2]" 1
165 1 87 SER H 1 88 LYS H . . 3.810 2.706 2.507 2.771 . 0 0 "[ . 1 . 2]" 1
166 1 87 SER H 1 89 LEU H . . 4.290 4.224 4.076 4.287 . 0 0 "[ . 1 . 2]" 1
167 1 87 SER HA 1 90 ASN H . . 3.760 3.768 3.649 3.788 0.028 17 0 "[ . 1 . 2]" 1
168 1 87 SER HA 1 90 ASN HB2 . . 4.270 3.378 3.289 3.487 . 0 0 "[ . 1 . 2]" 1
169 1 87 SER HA 1 90 ASN QB . . 3.510 3.190 3.029 3.269 . 0 0 "[ . 1 . 2]" 1
170 1 87 SER HA 1 90 ASN HB3 . . 4.270 3.924 3.543 3.960 . 0 0 "[ . 1 . 2]" 1
171 1 87 SER QB 1 88 LYS H . . 3.090 2.793 2.644 3.062 . 0 0 "[ . 1 . 2]" 1
172 1 88 LYS H 1 88 LYS HB2 . . 2.900 2.165 2.158 2.183 . 0 0 "[ . 1 . 2]" 1
173 1 88 LYS H 1 88 LYS HB3 . . 3.290 3.476 3.470 3.488 0.198 17 0 "[ . 1 . 2]" 1
174 1 88 LYS H 1 88 LYS HG2 . . 3.350 3.382 3.379 3.388 0.038 11 0 "[ . 1 . 2]" 1
175 1 88 LYS H 1 88 LYS HG3 . . 3.350 3.382 3.379 3.389 0.039 11 0 "[ . 1 . 2]" 1
176 1 88 LYS H 1 89 LEU H . . 2.790 2.577 2.477 2.622 . 0 0 "[ . 1 . 2]" 1
177 1 88 LYS H 1 90 ASN H . . 4.650 4.395 4.285 4.422 . 0 0 "[ . 1 . 2]" 1
178 1 88 LYS HA 1 88 LYS HG2 . . 3.600 2.134 2.125 2.154 . 0 0 "[ . 1 . 2]" 1
179 1 88 LYS HA 1 88 LYS HG3 . . 3.600 3.429 3.422 3.446 . 0 0 "[ . 1 . 2]" 1
180 1 88 LYS HA 1 89 LEU H . . 3.440 3.528 3.494 3.537 0.097 1 0 "[ . 1 . 2]" 1
181 1 88 LYS HA 1 91 ASP HB2 . . 4.090 2.544 2.411 2.709 . 0 0 "[ . 1 . 2]" 1
182 1 88 LYS HA 1 91 ASP QB . . 3.570 2.512 2.382 2.662 . 0 0 "[ . 1 . 2]" 1
183 1 88 LYS HA 1 91 ASP HB3 . . 4.090 3.879 3.705 4.035 . 0 0 "[ . 1 . 2]" 1
184 1 88 LYS HB2 1 89 LEU H . . 3.590 2.872 2.840 3.017 . 0 0 "[ . 1 . 2]" 1
185 1 88 LYS HB3 1 89 LEU H . . 3.920 3.306 3.244 3.487 . 0 0 "[ . 1 . 2]" 1
186 1 89 LEU H 1 89 LEU HA . . 2.910 2.793 2.779 2.867 . 0 0 "[ . 1 . 2]" 1
187 1 89 LEU H 1 89 LEU HB2 . . 3.210 2.070 2.041 2.606 . 0 0 "[ . 1 . 2]" 1
188 1 89 LEU H 1 89 LEU HB3 . . 3.210 3.222 2.460 3.275 0.065 4 0 "[ . 1 . 2]" 1
189 1 89 LEU H 1 89 LEU MD1 . . 3.860 4.060 3.964 4.085 0.225 19 0 "[ . 1 . 2]" 1
190 1 89 LEU H 1 89 LEU QD . . 3.170 2.745 2.670 3.569 0.399 15 0 "[ . 1 . 2]" 1
191 1 89 LEU H 1 89 LEU MD2 . . 3.860 2.808 2.708 4.052 0.192 15 0 "[ . 1 . 2]" 1
192 1 89 LEU H 1 90 ASN H . . 3.120 2.828 2.572 2.869 . 0 0 "[ . 1 . 2]" 1
193 1 89 LEU HA 1 89 LEU HB2 . . 2.940 2.814 2.444 2.838 . 0 0 "[ . 1 . 2]" 1
194 1 89 LEU HA 1 89 LEU QB . . 2.540 2.522 2.344 2.532 . 0 0 "[ . 1 . 2]" 1
195 1 89 LEU HA 1 89 LEU HB3 . . 2.940 2.857 2.845 3.015 0.075 15 0 "[ . 1 . 2]" 1
196 1 89 LEU HA 1 89 LEU MD1 . . 3.190 2.172 2.107 3.345 0.155 15 0 "[ . 1 . 2]" 1
197 1 89 LEU HA 1 89 LEU MD2 . . 3.190 2.451 1.915 2.496 . 0 0 "[ . 1 . 2]" 1
198 1 89 LEU HA 1 89 LEU HG . . 3.600 3.624 3.620 3.680 0.080 15 0 "[ . 1 . 2]" 1
199 1 89 LEU HA 1 90 ASN H . . 3.380 3.565 3.560 3.566 0.186 18 0 "[ . 1 . 2]" 1
200 1 89 LEU HA 1 91 ASP H . . 3.920 4.025 3.982 4.060 0.140 15 0 "[ . 1 . 2]" 1
201 1 89 LEU HA 1 92 ALA H . . 3.790 3.393 3.346 3.480 . 0 0 "[ . 1 . 2]" 1
202 1 89 LEU HA 1 92 ALA MB . . 3.170 3.001 2.858 3.138 . 0 0 "[ . 1 . 2]" 1
203 1 89 LEU HA 1 93 VAL H . . 4.310 4.329 4.159 4.405 0.095 15 0 "[ . 1 . 2]" 1
204 1 89 LEU QB 1 89 LEU QD . . 2.250 2.010 1.965 2.016 . 0 0 "[ . 1 . 2]" 1
205 1 89 LEU QB 1 89 LEU HG . . 2.600 2.163 2.155 2.164 . 0 0 "[ . 1 . 2]" 1
206 1 89 LEU QB 1 90 ASN H . . 3.070 2.441 2.369 2.448 . 0 0 "[ . 1 . 2]" 1
207 1 89 LEU HB2 1 89 LEU MD1 . . 3.120 3.172 3.139 3.174 0.054 20 0 "[ . 1 . 2]" 1
208 1 89 LEU HB2 1 89 LEU MD2 . . 3.120 2.247 2.215 2.501 . 0 0 "[ . 1 . 2]" 1
209 1 89 LEU HB2 1 90 ASN H . . 3.730 3.032 2.981 3.772 0.042 15 0 "[ . 1 . 2]" 1
210 1 89 LEU HB3 1 89 LEU MD1 . . 3.120 2.400 2.112 2.422 . 0 0 "[ . 1 . 2]" 1
211 1 89 LEU HB3 1 89 LEU MD2 . . 3.120 3.168 3.165 3.170 0.050 4 0 "[ . 1 . 2]" 1
212 1 89 LEU HB3 1 90 ASN H . . 3.730 2.584 2.394 2.602 . 0 0 "[ . 1 . 2]" 1
213 1 89 LEU QD 1 90 ASN H . . 3.640 3.741 2.612 3.804 0.164 20 0 "[ . 1 . 2]" 1
214 1 89 LEU MD1 1 90 ASN H . . 4.360 4.023 2.641 4.107 . 0 0 "[ . 1 . 2]" 1
215 1 89 LEU MD2 1 90 ASN H . . 4.360 4.483 4.137 4.516 0.156 19 0 "[ . 1 . 2]" 1
216 1 89 LEU HG 1 90 ASN H . . 4.770 4.852 4.696 4.864 0.094 20 0 "[ . 1 . 2]" 1
217 1 90 ASN H 1 90 ASN HA . . 2.880 2.771 2.767 2.793 . 0 0 "[ . 1 . 2]" 1
218 1 90 ASN H 1 90 ASN HB2 . . 2.850 2.111 2.105 2.113 . 0 0 "[ . 1 . 2]" 1
219 1 90 ASN H 1 90 ASN HB3 . . 2.850 3.085 3.074 3.091 0.241 16 0 "[ . 1 . 2]" 1
220 1 90 ASN H 1 91 ASP H . . 2.940 2.730 2.673 2.739 . 0 0 "[ . 1 . 2]" 1
221 1 90 ASN HA 1 90 ASN HB2 . . 2.880 2.727 2.725 2.740 . 0 0 "[ . 1 . 2]" 1
222 1 90 ASN HA 1 90 ASN HB3 . . 2.880 2.948 2.940 2.950 0.070 8 0 "[ . 1 . 2]" 1
223 1 90 ASN HA 1 91 ASP H . . 3.400 3.484 3.465 3.488 0.088 1 0 "[ . 1 . 2]" 1
224 1 90 ASN HA 1 93 VAL H . . 3.350 3.417 3.398 3.557 0.207 16 0 "[ . 1 . 2]" 1
225 1 90 ASN HA 1 93 VAL HB . . 3.650 2.956 2.855 3.795 0.145 16 0 "[ . 1 . 2]" 1
226 1 90 ASN HA 1 93 VAL MG1 . . 3.970 3.799 1.814 4.055 0.085 15 0 "[ . 1 . 2]" 1
227 1 90 ASN HA 1 93 VAL QG . . 3.200 1.954 1.813 1.972 . 0 0 "[ . 1 . 2]" 1
228 1 90 ASN HA 1 93 VAL MG2 . . 3.970 2.198 1.967 4.204 0.234 18 0 "[ . 1 . 2]" 1
229 1 90 ASN HA 1 94 GLU H . . 4.310 4.029 4.009 4.135 . 0 0 "[ . 1 . 2]" 1
230 1 90 ASN QB 1 91 ASP H . . 2.850 2.865 2.854 2.943 0.093 16 0 "[ . 1 . 2]" 1
231 1 90 ASN HB2 1 91 ASP H . . 3.390 3.602 3.598 3.633 0.243 16 0 "[ . 1 . 2]" 1
232 1 90 ASN HB3 1 91 ASP H . . 3.390 3.009 2.994 3.111 . 0 0 "[ . 1 . 2]" 1
233 1 91 ASP H 1 91 ASP HA . . 2.920 2.837 2.833 2.862 . 0 0 "[ . 1 . 2]" 1
234 1 91 ASP H 1 91 ASP QB . . 2.840 2.060 2.054 2.081 . 0 0 "[ . 1 . 2]" 1
235 1 91 ASP H 1 92 ALA H . . 2.940 2.613 2.479 2.640 . 0 0 "[ . 1 . 2]" 1
236 1 91 ASP HA 1 92 ALA H . . 3.220 3.539 3.511 3.547 0.327 15 0 "[ . 1 . 2]" 1
237 1 91 ASP HA 1 94 GLU H . . 3.760 3.828 3.783 3.835 0.075 4 0 "[ . 1 . 2]" 1
238 1 91 ASP HA 1 94 GLU QB . . 4.110 3.251 3.018 3.305 . 0 0 "[ . 1 . 2]" 1
239 1 91 ASP QB 1 92 ALA H . . 2.680 2.684 2.648 2.822 0.142 16 0 "[ . 1 . 2]" 1
240 1 91 ASP HB2 1 92 ALA H . . 3.130 3.088 2.950 3.167 0.037 16 0 "[ . 1 . 2]" 1
241 1 91 ASP HB3 1 92 ALA H . . 3.130 2.954 2.889 3.167 0.037 16 0 "[ . 1 . 2]" 1
242 1 92 ALA H 1 92 ALA HA . . 2.710 2.843 2.829 2.861 0.151 16 0 "[ . 1 . 2]" 1
243 1 92 ALA H 1 92 ALA MB . . 2.430 2.153 2.063 2.252 . 0 0 "[ . 1 . 2]" 1
244 1 92 ALA H 1 93 VAL H . . 2.870 2.553 2.549 2.605 . 0 0 "[ . 1 . 2]" 1
245 1 92 ALA HA 1 95 TYR HB2 . . 3.570 3.057 2.872 3.368 . 0 0 "[ . 1 . 2]" 1
246 1 92 ALA HA 1 95 TYR QB . . 3.070 2.794 2.752 2.833 . 0 0 "[ . 1 . 2]" 1
247 1 92 ALA HA 1 95 TYR HB3 . . 3.570 3.317 3.004 3.527 . 0 0 "[ . 1 . 2]" 1
248 1 92 ALA HA 1 96 VAL H . . 4.170 4.197 4.195 4.199 0.029 20 0 "[ . 1 . 2]" 1
249 1 92 ALA MB 1 93 VAL H . . 2.800 2.712 2.465 2.790 . 0 0 "[ . 1 . 2]" 1
250 1 93 VAL H 1 93 VAL HA . . 2.930 2.814 2.787 2.818 . 0 0 "[ . 1 . 2]" 1
251 1 93 VAL H 1 93 VAL HB . . 2.770 2.698 2.604 2.709 . 0 0 "[ . 1 . 2]" 1
252 1 93 VAL H 1 93 VAL MG1 . . 3.450 3.570 1.921 3.754 0.304 2 0 "[ . 1 . 2]" 1
253 1 93 VAL H 1 93 VAL QG . . 2.880 2.047 1.915 2.063 . 0 0 "[ . 1 . 2]" 1
254 1 93 VAL H 1 93 VAL MG2 . . 3.450 2.240 2.055 3.763 0.313 18 0 "[ . 1 . 2]" 1
255 1 93 VAL H 1 94 GLU H . . 2.970 2.774 2.746 2.828 . 0 0 "[ . 1 . 2]" 1
256 1 93 VAL HA 1 93 VAL MG1 . . 2.730 2.385 2.290 3.199 0.469 18 0 "[ . 1 . 2]" 1
257 1 93 VAL HA 1 93 VAL QG . . 2.370 2.123 2.101 2.301 . 0 0 "[ . 1 . 2]" 1
258 1 93 VAL HA 1 93 VAL MG2 . . 2.730 2.434 2.358 2.443 . 0 0 "[ . 1 . 2]" 1
259 1 93 VAL HA 1 96 VAL H . . 3.490 3.545 3.542 3.563 0.073 16 0 "[ . 1 . 2]" 1
260 1 93 VAL HB 1 94 GLU H . . 3.960 2.458 2.288 3.950 . 0 0 "[ . 1 . 2]" 1
261 1 93 VAL MG1 1 94 GLU H . . 3.430 3.311 2.021 3.459 0.029 4 0 "[ . 1 . 2]" 1
262 1 93 VAL MG2 1 94 GLU H . . 3.430 3.542 3.509 3.566 0.136 15 0 "[ . 1 . 2]" 1
263 1 94 GLU H 1 94 GLU HA . . 2.870 2.770 2.765 2.817 . 0 0 "[ . 1 . 2]" 1
264 1 94 GLU H 1 94 GLU HB2 . . 2.890 2.347 2.217 2.613 . 0 0 "[ . 1 . 2]" 1
265 1 94 GLU H 1 94 GLU HB3 . . 2.890 2.731 2.439 2.886 . 0 0 "[ . 1 . 2]" 1
266 1 94 GLU H 1 95 TYR H . . 3.180 2.727 2.606 2.742 . 0 0 "[ . 1 . 2]" 1
267 1 95 TYR H 1 95 TYR HB2 . . 3.020 2.321 2.189 2.547 . 0 0 "[ . 1 . 2]" 1
268 1 95 TYR H 1 95 TYR QB . . 2.560 2.205 2.140 2.278 . 0 0 "[ . 1 . 2]" 1
269 1 95 TYR H 1 95 TYR HB3 . . 3.020 2.839 2.568 3.017 . 0 0 "[ . 1 . 2]" 1
270 1 95 TYR H 1 96 VAL H . . 2.860 2.669 2.612 2.677 . 0 0 "[ . 1 . 2]" 1
271 1 95 TYR H 1 97 SER H . . 4.010 4.184 4.180 4.185 0.175 7 0 "[ . 1 . 2]" 1
272 1 95 TYR QB 1 96 VAL H . . 2.980 2.206 2.159 2.264 . 0 0 "[ . 1 . 2]" 1
273 1 95 TYR HB2 1 96 VAL H . . 3.630 3.378 3.199 3.625 . 0 0 "[ . 1 . 2]" 1
274 1 95 TYR HB3 1 96 VAL H . . 3.630 2.238 2.180 2.289 . 0 0 "[ . 1 . 2]" 1
275 1 96 VAL H 1 96 VAL HB . . 2.750 2.699 2.689 2.702 . 0 0 "[ . 1 . 2]" 1
276 1 96 VAL H 1 96 VAL MG1 . . 4.190 3.754 3.753 3.760 . 0 0 "[ . 1 . 2]" 1
277 1 96 VAL H 1 96 VAL MG2 . . 2.860 2.075 1.948 2.090 . 0 0 "[ . 1 . 2]" 1
278 1 96 VAL H 1 97 SER H . . 3.200 2.840 2.774 2.848 . 0 0 "[ . 1 . 2]" 1
279 1 96 VAL HA 1 96 VAL MG1 . . 2.900 2.254 2.248 2.257 . 0 0 "[ . 1 . 2]" 1
280 1 96 VAL HA 1 96 VAL MG2 . . 2.480 2.423 2.411 2.451 . 0 0 "[ . 1 . 2]" 1
281 1 96 VAL HA 1 99 ARG H . . 3.590 3.510 3.441 3.592 0.002 1 0 "[ . 1 . 2]" 1
282 1 96 VAL HA 1 99 ARG HB2 . . 4.250 3.280 3.177 3.452 . 0 0 "[ . 1 . 2]" 1
283 1 96 VAL HA 1 99 ARG HB3 . . 4.390 3.760 3.690 3.875 . 0 0 "[ . 1 . 2]" 1
284 1 96 VAL HB 1 97 SER H . . 2.920 2.197 2.194 2.203 . 0 0 "[ . 1 . 2]" 1
285 1 96 VAL MG1 1 97 SER H . . 3.240 3.347 3.344 3.368 0.128 18 0 "[ . 1 . 2]" 1
286 1 96 VAL MG2 1 97 SER H . . 3.310 3.524 3.494 3.529 0.219 8 0 "[ . 1 . 2]" 1
287 1 97 SER H 1 97 SER HA . . 2.850 2.790 2.773 2.807 . 0 0 "[ . 1 . 2]" 1
288 1 97 SER H 1 97 SER HB2 . . 3.050 2.389 2.146 2.647 . 0 0 "[ . 1 . 2]" 1
289 1 97 SER H 1 97 SER QB . . 2.580 2.206 2.104 2.260 . 0 0 "[ . 1 . 2]" 1
290 1 97 SER H 1 97 SER HB3 . . 3.050 2.715 2.433 3.028 . 0 0 "[ . 1 . 2]" 1
291 1 97 SER H 1 98 GLY H . . 2.970 2.682 2.637 2.727 . 0 0 "[ . 1 . 2]" 1
292 1 97 SER H 1 99 ARG H . . 4.200 4.191 4.160 4.207 0.007 20 0 "[ . 1 . 2]" 1
293 1 97 SER HA 1 98 GLY H . . 3.450 3.483 3.482 3.483 0.033 20 0 "[ . 1 . 2]" 1
294 1 97 SER HA 1 100 VAL HB . . 3.490 3.167 2.970 3.492 0.002 4 0 "[ . 1 . 2]" 1
295 1 97 SER HA 1 100 VAL QG . . 3.620 3.012 1.887 3.621 0.001 10 0 "[ . 1 . 2]" 1
296 1 98 GLY H 1 98 GLY HA2 . . 2.900 2.854 2.844 2.858 . 0 0 "[ . 1 . 2]" 1
297 1 98 GLY H 1 99 ARG H . . 2.780 2.540 2.526 2.574 . 0 0 "[ . 1 . 2]" 1
298 1 98 GLY HA2 1 99 ARG H . . 3.500 3.472 3.469 3.476 . 0 0 "[ . 1 . 2]" 1
299 1 98 GLY HA3 1 99 ARG H . . 3.000 3.002 2.993 3.008 0.008 20 0 "[ . 1 . 2]" 1
300 1 99 ARG H 1 99 ARG HA . . 2.910 2.887 2.880 2.896 . 0 0 "[ . 1 . 2]" 1
301 1 99 ARG H 1 99 ARG HB2 . . 2.710 2.296 2.279 2.318 . 0 0 "[ . 1 . 2]" 1
302 1 99 ARG H 1 99 ARG HB3 . . 2.890 2.894 2.892 2.896 0.006 3 0 "[ . 1 . 2]" 1
303 1 99 ARG H 1 100 VAL H . . 2.880 2.429 2.390 2.459 . 0 0 "[ . 1 . 2]" 1
304 1 99 ARG HA 1 99 ARG QD . . 4.470 3.738 2.651 4.054 . 0 0 "[ . 1 . 2]" 1
305 1 99 ARG HA 1 100 VAL H . . 3.160 3.333 3.332 3.335 0.175 4 0 "[ . 1 . 2]" 1
306 1 99 ARG HB2 1 100 VAL H . . 3.960 3.989 3.984 3.991 0.031 13 0 "[ . 1 . 2]" 1
307 1 99 ARG HB3 1 100 VAL H . . 3.410 3.453 3.448 3.455 0.045 8 0 "[ . 1 . 2]" 1
308 1 100 VAL H 1 100 VAL HA . . 2.840 2.797 2.761 2.871 0.031 4 0 "[ . 1 . 2]" 1
309 1 100 VAL H 1 100 VAL HB . . 2.830 2.440 2.347 2.657 . 0 0 "[ . 1 . 2]" 1
310 1 100 VAL H 1 100 VAL MG1 . . 3.480 2.926 2.467 3.780 0.300 4 0 "[ . 1 . 2]" 1
311 1 100 VAL H 1 100 VAL QG . . 2.600 2.291 1.951 2.442 . 0 0 "[ . 1 . 2]" 1
312 1 100 VAL H 1 100 VAL MG2 . . 3.480 3.125 1.958 3.716 0.236 2 0 "[ . 1 . 2]" 1
313 1 100 VAL H 1 101 HIS H . . 3.780 2.961 2.533 3.600 . 0 0 "[ . 1 . 2]" 1
314 1 100 VAL HA 1 100 VAL MG1 . . 3.070 2.858 2.178 3.187 0.117 2 0 "[ . 1 . 2]" 1
315 1 100 VAL HA 1 100 VAL QG . . 2.560 2.130 2.045 2.185 . 0 0 "[ . 1 . 2]" 1
316 1 100 VAL HA 1 100 VAL MG2 . . 3.070 2.288 2.183 2.487 . 0 0 "[ . 1 . 2]" 1
317 1 100 VAL HB 1 101 HIS H . . 4.290 3.899 2.095 4.369 0.079 4 0 "[ . 1 . 2]" 1
318 1 100 VAL QG 1 101 HIS H . . 4.440 2.535 2.031 3.642 . 0 0 "[ . 1 . 2]" 1
319 1 100 VAL MG1 1 101 HIS H . . 5.300 2.621 2.037 3.900 . 0 0 "[ . 1 . 2]" 1
320 1 100 VAL MG2 1 101 HIS H . . 5.300 4.045 3.677 4.364 . 0 0 "[ . 1 . 2]" 1
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