Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
541551 | 2lp0 RC | 17407 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lp0
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 568
_Distance_constraint_stats_list.Viol_count 871
_Distance_constraint_stats_list.Viol_total 758.359
_Distance_constraint_stats_list.Viol_max 0.493
_Distance_constraint_stats_list.Viol_rms 0.0420
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0134
_Distance_constraint_stats_list.Viol_average_violations_only 0.0871
_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 THR 0.093 0.093 5 0 "[ . 1]"
1 2 ARG 0.157 0.093 5 0 "[ . 1]"
1 4 LYS 0.546 0.493 1 0 "[ . 1]"
1 5 ARG 0.657 0.493 1 0 "[ . 1]"
1 7 PRO 0.247 0.247 9 0 "[ . 1]"
1 8 TYR 4.664 0.291 9 0 "[ . 1]"
1 9 THR 2.709 0.232 1 0 "[ . 1]"
1 10 LYS 0.034 0.028 9 0 "[ . 1]"
1 11 TYR 0.714 0.100 9 0 "[ . 1]"
1 12 GLN 1.911 0.257 9 0 "[ . 1]"
1 13 THR 0.463 0.094 6 0 "[ . 1]"
1 14 LEU 0.226 0.064 3 0 "[ . 1]"
1 15 GLU 0.710 0.148 10 0 "[ . 1]"
1 16 LEU 0.755 0.132 3 0 "[ . 1]"
1 17 GLU 3.409 0.321 8 0 "[ . 1]"
1 18 LYS 1.253 0.148 10 0 "[ . 1]"
1 19 GLU 0.513 0.154 2 0 "[ . 1]"
1 20 PHE 1.114 0.180 9 0 "[ . 1]"
1 21 LEU 1.544 0.124 6 0 "[ . 1]"
1 22 PHE 3.171 0.154 3 0 "[ . 1]"
1 23 ASN 3.816 0.184 5 0 "[ . 1]"
1 24 MET 2.920 0.269 9 0 "[ . 1]"
1 25 TYR 4.717 0.357 5 0 "[ . 1]"
1 26 LEU 7.774 0.357 5 0 "[ . 1]"
1 27 THR 2.533 0.186 5 0 "[ . 1]"
1 28 ARG 0.662 0.070 1 0 "[ . 1]"
1 29 ASP 2.953 0.154 4 0 "[ . 1]"
1 30 ARG 1.791 0.111 3 0 "[ . 1]"
1 31 ARG 0.770 0.134 9 0 "[ . 1]"
1 32 TYR 0.289 0.132 4 0 "[ . 1]"
1 33 GLU 4.054 0.154 4 0 "[ . 1]"
1 34 VAL 1.856 0.115 10 0 "[ . 1]"
1 35 ALA 0.804 0.134 9 0 "[ . 1]"
1 36 ARG 2.922 0.168 9 0 "[ . 1]"
1 37 VAL 2.354 0.168 9 0 "[ . 1]"
1 38 LEU 2.314 0.381 7 0 "[ . 1]"
1 39 ASN 1.852 0.224 6 0 "[ . 1]"
1 40 LEU 2.327 0.178 10 0 "[ . 1]"
1 41 THR 0.100 0.056 1 0 "[ . 1]"
1 42 GLU 1.318 0.273 8 0 "[ . 1]"
1 43 ARG 1.125 0.155 7 0 "[ . 1]"
1 44 GLN 2.648 0.273 8 0 "[ . 1]"
1 45 VAL 1.257 0.155 7 0 "[ . 1]"
1 46 LYS 1.130 0.268 10 0 "[ . 1]"
1 47 ILE 1.834 0.268 10 0 "[ . 1]"
1 48 TRP 0.364 0.118 10 0 "[ . 1]"
1 49 PHE 4.475 0.267 9 0 "[ . 1]"
1 50 GLN 4.130 0.267 9 0 "[ . 1]"
1 51 ASN 1.192 0.221 3 0 "[ . 1]"
1 52 ARG 1.077 0.275 6 0 "[ . 1]"
1 53 ARG 0.198 0.048 4 0 "[ . 1]"
1 54 MET 2.063 0.258 7 0 "[ . 1]"
1 55 LYS 1.747 0.144 2 0 "[ . 1]"
1 56 MET 4.195 0.175 3 0 "[ . 1]"
1 57 LYS 2.036 0.175 3 0 "[ . 1]"
1 58 LYS 0.609 0.137 9 0 "[ . 1]"
1 59 MET 0.385 0.108 8 0 "[ . 1]"
1 60 ASN 2.222 0.177 6 0 "[ . 1]"
2 1 ASN 0.000 0.000 . 0 "[ . 1]"
2 2 GLN 0.185 0.080 7 0 "[ . 1]"
2 3 GLU 0.350 0.209 6 0 "[ . 1]"
2 4 PHE 0.676 0.209 6 0 "[ . 1]"
2 5 ASP 0.868 0.189 8 0 "[ . 1]"
2 6 SER 1.927 0.241 5 0 "[ . 1]"
2 7 GLU 1.958 0.397 5 0 "[ . 1]"
2 8 GLU 2.677 0.397 5 0 "[ . 1]"
2 9 GLU 2.665 0.330 5 0 "[ . 1]"
2 10 THR 2.715 0.366 6 0 "[ . 1]"
2 11 VAL 2.011 0.366 6 0 "[ . 1]"
2 12 GLU 0.124 0.049 9 0 "[ . 1]"
2 13 ASP 0.695 0.267 7 0 "[ . 1]"
2 14 SER 0.506 0.267 7 0 "[ . 1]"
2 15 LEU 0.062 0.062 10 0 "[ . 1]"
2 16 VAL 0.808 0.183 8 0 "[ . 1]"
2 17 GLU 0.824 0.188 6 0 "[ . 1]"
2 18 ASP 0.269 0.121 1 0 "[ . 1]"
2 19 SER 0.238 0.121 1 0 "[ . 1]"
2 20 GLU 0.230 0.066 7 0 "[ . 1]"
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 THR HA 1 2 ARG H 3.300 . 3.300 2.543 2.116 3.393 0.093 5 0 "[ . 1]" 1
2 1 2 ARG H 1 2 ARG HB2 4.010 . 4.010 2.632 2.111 3.260 . 0 0 "[ . 1]" 1
3 1 2 ARG H 1 2 ARG HB3 3.830 . 3.830 3.377 2.546 3.893 0.063 5 0 "[ . 1]" 1
4 1 4 LYS HA 1 5 ARG H 2.900 . 2.900 2.546 2.121 3.393 0.493 1 0 "[ . 1]" 1
5 1 5 ARG H 1 5 ARG HA 2.900 . 2.900 2.848 2.710 2.938 0.038 6 0 "[ . 1]" 1
6 1 5 ARG HA 2 12 GLU QB 2.500 . 5.500 2.960 2.584 3.118 . 0 0 "[ . 1]" 1
7 1 5 ARG QD 2 11 VAL QG 2.500 . 5.500 2.875 2.283 3.219 . 0 0 "[ . 1]" 1
8 1 7 PRO HA 1 8 TYR H 2.860 . 2.860 2.361 2.120 3.107 0.247 9 0 "[ . 1]" 1
9 1 8 TYR H 1 8 TYR HB2 3.330 . 3.330 3.452 3.334 3.621 0.291 9 0 "[ . 1]" 1
10 1 8 TYR H 1 8 TYR HB3 3.050 . 3.050 3.167 3.057 3.245 0.195 7 0 "[ . 1]" 1
11 1 8 TYR H 1 9 THR H 4.290 . 4.290 4.460 4.361 4.522 0.232 1 0 "[ . 1]" 1
12 1 8 TYR HA 1 9 THR H 2.930 . 2.930 2.203 2.084 2.624 . 0 0 "[ . 1]" 1
13 1 8 TYR HB2 1 9 THR H 3.760 . 3.760 3.014 2.103 3.434 . 0 0 "[ . 1]" 1
14 1 8 TYR HB3 1 9 THR H 3.700 . 3.700 3.648 3.159 3.829 0.129 9 0 "[ . 1]" 1
15 1 9 THR H 1 9 THR MG 4.410 . 4.410 2.675 1.936 3.211 . 0 0 "[ . 1]" 1
16 1 9 THR H 1 12 GLN H 3.920 . 3.920 3.926 3.418 4.060 0.140 4 0 "[ . 1]" 1
17 1 9 THR H 1 12 GLN HB2 3.580 . 3.580 3.128 1.876 3.610 0.030 6 0 "[ . 1]" 1
18 1 9 THR H 1 12 GLN HB3 3.700 . 3.700 2.867 2.461 3.338 . 0 0 "[ . 1]" 1
19 1 10 LYS H 1 11 TYR H 4.140 . 4.140 2.753 2.664 2.846 . 0 0 "[ . 1]" 1
20 1 10 LYS HA 1 13 THR H 3.830 . 3.830 3.433 3.088 3.655 . 0 0 "[ . 1]" 1
21 1 10 LYS HA 1 14 LEU H 4.010 . 4.010 3.872 3.680 4.038 0.028 9 0 "[ . 1]" 1
22 1 10 LYS QB 1 11 TYR H 4.360 . 4.360 2.581 2.345 3.185 . 0 0 "[ . 1]" 1
23 1 10 LYS QE 1 14 LEU QD 8.080 . 8.080 4.447 1.716 5.608 . 0 0 "[ . 1]" 1
24 1 11 TYR H 1 11 TYR HB2 2.930 . 2.930 2.407 2.290 2.500 . 0 0 "[ . 1]" 1
25 1 11 TYR H 1 11 TYR HB3 2.930 . 2.930 2.653 2.540 2.805 . 0 0 "[ . 1]" 1
26 1 11 TYR H 1 12 GLN H 3.300 . 3.300 2.746 2.595 2.895 . 0 0 "[ . 1]" 1
27 1 11 TYR HA 1 14 LEU H 3.670 . 3.670 3.581 3.348 3.702 0.032 3 0 "[ . 1]" 1
28 1 11 TYR HA 1 14 LEU QD 6.790 . 6.790 2.597 2.167 3.250 . 0 0 "[ . 1]" 1
29 1 11 TYR HA 1 15 GLU H 4.260 . 4.260 4.105 3.888 4.286 0.026 3 0 "[ . 1]" 1
30 1 11 TYR HB2 1 12 GLN H 3.670 . 3.670 3.727 3.694 3.770 0.100 9 0 "[ . 1]" 1
31 1 11 TYR QD 1 12 GLN H 7.630 . 7.630 3.767 3.436 4.177 . 0 0 "[ . 1]" 1
32 1 12 GLN H 1 12 GLN HB2 3.450 . 3.450 2.391 2.114 2.572 . 0 0 "[ . 1]" 1
33 1 12 GLN H 1 12 GLN HB3 3.210 . 3.210 2.713 2.451 3.467 0.257 9 0 "[ . 1]" 1
34 1 12 GLN H 1 13 THR H 3.270 . 3.270 2.647 2.492 2.742 . 0 0 "[ . 1]" 1
35 1 12 GLN HA 1 15 GLU H 3.730 . 3.730 3.594 3.337 3.761 0.031 1 0 "[ . 1]" 1
36 1 12 GLN HA 1 15 GLU HB3 4.010 . 4.010 3.016 2.741 3.384 . 0 0 "[ . 1]" 1
37 1 12 GLN HA 1 38 LEU MD1 5.030 . 5.030 3.831 2.672 4.627 . 0 0 "[ . 1]" 1
38 1 12 GLN HA 1 38 LEU MD2 6.270 . 6.270 3.161 2.245 3.934 . 0 0 "[ . 1]" 1
39 1 12 GLN HB2 1 13 THR H 3.670 . 3.670 3.604 2.894 3.764 0.094 6 0 "[ . 1]" 1
40 1 12 GLN HB3 1 13 THR H 3.830 . 3.830 2.576 2.334 3.540 . 0 0 "[ . 1]" 1
41 1 12 GLN QG 1 13 THR H 6.380 . 6.380 3.760 3.357 4.333 . 0 0 "[ . 1]" 1
42 1 13 THR H 1 13 THR HB 3.080 . 3.080 2.706 2.643 2.832 . 0 0 "[ . 1]" 1
43 1 13 THR H 1 14 LEU H 3.210 . 3.210 2.722 2.561 2.806 . 0 0 "[ . 1]" 1
44 1 13 THR HA 1 16 LEU H 3.760 . 3.760 3.625 3.285 3.807 0.047 3 0 "[ . 1]" 1
45 1 13 THR HA 1 17 GLU H 4.140 . 4.140 3.932 3.707 4.063 . 0 0 "[ . 1]" 1
46 1 13 THR HA 1 48 TRP HE1 5.000 . 5.000 4.233 3.534 4.923 . 0 0 "[ . 1]" 1
47 1 13 THR HB 1 14 LEU H 3.110 . 3.110 2.491 2.386 2.592 . 0 0 "[ . 1]" 1
48 1 13 THR MG 1 14 LEU H 5.310 . 5.310 3.612 3.472 3.780 . 0 0 "[ . 1]" 1
49 1 13 THR MG 1 48 TRP HE1 5.000 . 5.000 3.329 2.373 5.008 0.008 3 0 "[ . 1]" 1
50 1 14 LEU H 1 14 LEU HB2 2.830 . 2.830 2.426 2.318 2.574 . 0 0 "[ . 1]" 1
51 1 14 LEU H 1 14 LEU HG 3.170 . 3.170 2.383 2.153 2.610 . 0 0 "[ . 1]" 1
52 1 14 LEU H 1 15 GLU H 3.140 . 3.140 2.714 2.643 2.830 . 0 0 "[ . 1]" 1
53 1 14 LEU HA 1 17 GLU H 3.670 . 3.670 3.570 3.460 3.734 0.064 3 0 "[ . 1]" 1
54 1 14 LEU HB3 1 15 GLU H 3.670 . 3.670 3.549 3.407 3.682 0.012 10 0 "[ . 1]" 1
55 1 14 LEU QD 1 15 GLU H 7.600 . 7.600 4.086 3.955 4.203 . 0 0 "[ . 1]" 1
56 1 15 GLU H 1 16 LEU H 3.240 . 3.240 2.696 2.565 2.792 . 0 0 "[ . 1]" 1
57 1 15 GLU H 1 38 LEU MD1 6.050 . 6.050 5.435 4.930 5.962 . 0 0 "[ . 1]" 1
58 1 15 GLU HA 1 18 LYS H 3.480 . 3.480 3.518 3.359 3.628 0.148 10 0 "[ . 1]" 1
59 1 15 GLU HA 1 18 LYS QB 5.140 . 5.140 2.693 2.478 3.040 . 0 0 "[ . 1]" 1
60 1 15 GLU HA 1 19 GLU H 4.320 . 4.320 4.145 3.873 4.364 0.044 4 0 "[ . 1]" 1
61 1 15 GLU HA 1 38 LEU MD1 5.960 . 5.960 5.675 5.142 5.983 0.023 6 0 "[ . 1]" 1
62 1 15 GLU HB2 1 16 LEU H 3.890 . 3.890 3.726 3.551 3.827 . 0 0 "[ . 1]" 1
63 1 15 GLU HB3 1 16 LEU H 3.520 . 3.520 2.452 2.382 2.555 . 0 0 "[ . 1]" 1
64 1 15 GLU QG 1 38 LEU MD1 5.730 . 5.730 3.196 2.384 3.602 . 0 0 "[ . 1]" 1
65 1 15 GLU QG 1 38 LEU MD2 7.210 . 7.210 2.532 1.545 3.435 . 0 0 "[ . 1]" 1
66 1 16 LEU H 1 16 LEU HB2 3.080 . 3.080 2.270 2.161 2.367 . 0 0 "[ . 1]" 1
67 1 16 LEU H 1 16 LEU HB3 3.520 . 3.520 3.526 3.470 3.561 0.041 4 0 "[ . 1]" 1
68 1 16 LEU H 1 16 LEU MD1 5.310 . 5.310 3.774 3.431 4.318 . 0 0 "[ . 1]" 1
69 1 16 LEU H 1 16 LEU HG 3.700 . 3.700 3.012 2.435 3.832 0.132 3 0 "[ . 1]" 1
70 1 16 LEU H 1 17 GLU H 3.300 . 3.300 2.677 2.609 2.735 . 0 0 "[ . 1]" 1
71 1 16 LEU H 1 38 LEU MD2 5.590 . 5.590 4.615 4.122 5.496 . 0 0 "[ . 1]" 1
72 1 16 LEU HA 1 19 GLU H 3.670 . 3.670 3.524 3.345 3.697 0.027 1 0 "[ . 1]" 1
73 1 16 LEU HB2 1 17 GLU H 3.420 . 3.420 2.707 2.614 2.810 . 0 0 "[ . 1]" 1
74 1 16 LEU HB3 1 17 GLU H 3.760 . 3.760 3.386 3.160 3.563 . 0 0 "[ . 1]" 1
75 1 16 LEU MD1 1 17 GLU H 6.270 . 6.270 4.620 4.426 4.775 . 0 0 "[ . 1]" 1
76 1 16 LEU MD1 1 34 VAL MG2 7.540 . 7.540 6.086 4.943 7.560 0.020 7 0 "[ . 1]" 1
77 1 16 LEU MD1 1 38 LEU MD2 7.540 . 7.540 4.398 2.649 5.318 . 0 0 "[ . 1]" 1
78 1 16 LEU MD1 1 40 LEU MD2 7.540 . 7.540 4.762 2.527 6.826 . 0 0 "[ . 1]" 1
79 1 16 LEU MD1 1 48 TRP HE1 5.930 . 5.930 4.283 3.346 6.010 0.080 10 0 "[ . 1]" 1
80 1 16 LEU MD2 1 34 VAL MG2 7.540 . 7.540 4.791 4.024 5.626 . 0 0 "[ . 1]" 1
81 1 16 LEU MD2 1 38 LEU MD2 7.320 . 7.320 3.540 2.238 4.528 . 0 0 "[ . 1]" 1
82 1 16 LEU HG 1 17 GLU H 5.500 . 5.500 4.733 4.485 5.077 . 0 0 "[ . 1]" 1
83 1 16 LEU HG 1 38 LEU MD2 6.240 . 6.240 4.269 2.455 5.925 . 0 0 "[ . 1]" 1
84 1 17 GLU H 1 17 GLU HB2 3.110 . 3.110 2.044 1.983 2.153 . 0 0 "[ . 1]" 1
85 1 17 GLU H 1 17 GLU HB3 3.110 . 3.110 3.332 3.207 3.431 0.321 8 0 "[ . 1]" 1
86 1 17 GLU H 1 17 GLU HG2 4.070 . 4.070 3.680 2.681 4.136 0.066 4 0 "[ . 1]" 1
87 1 17 GLU H 1 17 GLU HG3 4.140 . 4.140 3.390 2.706 4.081 . 0 0 "[ . 1]" 1
88 1 17 GLU H 1 18 LYS H 3.300 . 3.300 2.654 2.541 2.740 . 0 0 "[ . 1]" 1
89 1 17 GLU H 1 48 TRP HZ2 5.130 . 5.130 4.646 3.978 5.242 0.112 10 0 "[ . 1]" 1
90 1 17 GLU H 1 48 TRP HZ3 5.100 . 5.100 4.451 4.139 5.218 0.118 10 0 "[ . 1]" 1
91 1 17 GLU HA 1 20 PHE H 3.830 . 3.830 3.505 3.294 3.820 . 0 0 "[ . 1]" 1
92 1 17 GLU HB2 1 18 LYS H 3.360 . 3.360 2.834 2.527 3.007 . 0 0 "[ . 1]" 1
93 1 17 GLU HB3 1 18 LYS H 3.170 . 3.170 2.999 2.609 3.228 0.058 5 0 "[ . 1]" 1
94 1 17 GLU HG2 1 18 LYS H 5.250 . 5.250 4.889 4.590 5.018 . 0 0 "[ . 1]" 1
95 1 17 GLU HG3 1 18 LYS H 4.790 . 4.790 4.844 4.674 4.923 0.133 2 0 "[ . 1]" 1
96 1 18 LYS H 1 18 LYS QB 3.870 . 3.870 2.214 2.163 2.252 . 0 0 "[ . 1]" 1
97 1 18 LYS H 1 19 GLU H 3.170 . 3.170 2.725 2.592 2.819 . 0 0 "[ . 1]" 1
98 1 18 LYS HA 1 21 LEU QD 7.470 . 7.470 3.026 2.604 3.801 . 0 0 "[ . 1]" 1
99 1 18 LYS QB 1 19 GLU H 4.270 . 4.270 2.516 2.380 2.655 . 0 0 "[ . 1]" 1
100 1 19 GLU H 1 20 PHE H 3.390 . 3.390 2.611 2.432 2.762 . 0 0 "[ . 1]" 1
101 1 19 GLU H 1 49 PHE HZ 5.160 . 5.160 4.697 4.395 5.022 . 0 0 "[ . 1]" 1
102 1 19 GLU HA 1 22 PHE H 3.610 . 3.610 3.500 3.241 3.678 0.068 1 0 "[ . 1]" 1
103 1 19 GLU HA 1 23 ASN H 3.860 . 3.860 3.619 3.512 3.728 . 0 0 "[ . 1]" 1
104 1 19 GLU HB2 1 23 ASN HD21 5.000 . 5.000 4.897 4.411 5.154 0.154 2 0 "[ . 1]" 1
105 1 19 GLU QG 1 34 VAL MG1 6.940 . 6.940 3.066 2.410 3.976 . 0 0 "[ . 1]" 1
106 1 20 PHE H 1 20 PHE HB2 3.390 . 3.390 2.563 2.424 2.662 . 0 0 "[ . 1]" 1
107 1 20 PHE H 1 20 PHE HB3 3.420 . 3.420 2.437 2.298 2.522 . 0 0 "[ . 1]" 1
108 1 20 PHE H 1 20 PHE HD1 4.760 . 4.760 4.642 4.552 4.726 . 0 0 "[ . 1]" 1
109 1 20 PHE H 1 20 PHE HD2 4.600 . 4.600 4.694 4.590 4.780 0.180 9 0 "[ . 1]" 1
110 1 20 PHE H 1 21 LEU H 3.520 . 3.520 2.694 2.523 2.890 . 0 0 "[ . 1]" 1
111 1 20 PHE H 1 34 VAL MG1 6.400 . 6.400 6.122 5.789 6.507 0.107 4 0 "[ . 1]" 1
112 1 20 PHE H 1 49 PHE HZ 4.630 . 4.630 3.336 2.893 3.822 . 0 0 "[ . 1]" 1
113 1 20 PHE HA 1 23 ASN H 3.730 . 3.730 3.668 3.540 3.771 0.041 2 0 "[ . 1]" 1
114 1 20 PHE HB3 1 21 LEU H 3.890 . 3.890 2.610 2.300 2.830 . 0 0 "[ . 1]" 1
115 1 20 PHE HD2 1 21 LEU H 4.420 . 4.420 3.964 3.564 4.324 . 0 0 "[ . 1]" 1
116 1 20 PHE QE 1 53 ARG H 4.600 . 4.600 4.274 3.854 4.553 . 0 0 "[ . 1]" 1
117 1 20 PHE HZ 1 53 ARG H 5.380 . 5.380 4.057 3.478 5.079 . 0 0 "[ . 1]" 1
118 1 21 LEU H 1 21 LEU HB2 3.170 . 3.170 2.331 2.209 2.457 . 0 0 "[ . 1]" 1
119 1 21 LEU H 1 21 LEU HG 3.420 . 3.420 2.595 2.268 2.920 . 0 0 "[ . 1]" 1
120 1 21 LEU H 1 22 PHE H 3.110 . 3.110 2.544 2.441 2.646 . 0 0 "[ . 1]" 1
121 1 21 LEU H 1 23 ASN H 4.170 . 4.170 4.156 4.018 4.294 0.124 6 0 "[ . 1]" 1
122 1 21 LEU HA 1 22 PHE H 3.420 . 3.420 3.486 3.463 3.507 0.087 3 0 "[ . 1]" 1
123 1 21 LEU HB2 1 22 PHE H 3.670 . 3.670 2.720 2.527 2.939 . 0 0 "[ . 1]" 1
124 1 21 LEU HB3 1 22 PHE H 3.480 . 3.480 3.536 3.494 3.580 0.100 4 0 "[ . 1]" 1
125 1 21 LEU QD 1 22 PHE H 7.600 . 7.600 4.129 4.027 4.231 . 0 0 "[ . 1]" 1
126 1 21 LEU HG 1 22 PHE H 5.220 . 5.220 4.532 4.297 4.767 . 0 0 "[ . 1]" 1
127 1 22 PHE H 1 22 PHE HB2 2.930 . 2.930 2.179 2.101 2.277 . 0 0 "[ . 1]" 1
128 1 22 PHE H 1 22 PHE HB3 2.900 . 2.900 2.934 2.891 2.990 0.090 8 0 "[ . 1]" 1
129 1 22 PHE H 1 23 ASN H 2.800 . 2.800 2.540 2.421 2.686 . 0 0 "[ . 1]" 1
130 1 22 PHE HA 1 23 ASN H 3.480 . 3.480 3.520 3.509 3.530 0.050 9 0 "[ . 1]" 1
131 1 22 PHE HB2 1 23 ASN H 3.170 . 3.170 3.282 3.247 3.324 0.154 3 0 "[ . 1]" 1
132 1 22 PHE HB3 1 23 ASN H 3.300 . 3.300 2.404 2.298 2.566 . 0 0 "[ . 1]" 1
133 1 23 ASN H 1 23 ASN HD21 3.980 . 3.980 2.889 2.594 3.486 . 0 0 "[ . 1]" 1
134 1 23 ASN H 1 23 ASN HD22 3.790 . 3.790 3.704 3.405 3.876 0.086 5 0 "[ . 1]" 1
135 1 23 ASN H 1 24 MET H 3.640 . 3.640 3.761 3.619 3.824 0.184 5 0 "[ . 1]" 1
136 1 23 ASN HA 1 24 MET H 2.620 . 2.620 2.183 2.113 2.249 . 0 0 "[ . 1]" 1
137 1 23 ASN HA 1 25 TYR H 3.420 . 3.420 3.413 3.342 3.486 0.066 6 0 "[ . 1]" 1
138 1 23 ASN QB 1 24 MET H 4.580 . 4.580 3.646 3.523 3.734 . 0 0 "[ . 1]" 1
139 1 23 ASN QB 1 25 TYR H 4.610 . 4.610 3.306 2.708 3.685 . 0 0 "[ . 1]" 1
140 1 23 ASN HD21 1 26 LEU MD1 5.590 . 5.590 3.745 2.560 5.567 . 0 0 "[ . 1]" 1
141 1 23 ASN HD22 1 26 LEU MD1 5.930 . 5.930 4.395 3.732 5.386 . 0 0 "[ . 1]" 1
142 1 24 MET H 1 24 MET HB2 3.270 . 3.270 2.406 2.150 3.539 0.269 9 0 "[ . 1]" 1
143 1 24 MET H 1 24 MET HB3 3.420 . 3.420 3.416 2.457 3.553 0.133 6 0 "[ . 1]" 1
144 1 24 MET H 1 24 MET HG2 3.950 . 3.950 3.397 2.184 3.945 . 0 0 "[ . 1]" 1
145 1 24 MET H 1 24 MET HG3 4.010 . 4.010 2.917 2.377 3.489 . 0 0 "[ . 1]" 1
146 1 24 MET H 1 25 TYR H 2.990 . 2.990 2.643 2.514 2.726 . 0 0 "[ . 1]" 1
147 1 24 MET H 1 25 TYR QD 7.630 . 7.630 6.023 4.199 6.622 . 0 0 "[ . 1]" 1
148 1 24 MET HA 1 25 TYR H 3.550 . 3.550 3.460 3.358 3.504 . 0 0 "[ . 1]" 1
149 1 24 MET HB2 1 25 TYR H 3.860 . 3.860 3.074 2.765 3.948 0.088 9 0 "[ . 1]" 1
150 1 24 MET HB3 1 25 TYR H 3.920 . 3.920 3.672 3.323 3.953 0.033 9 0 "[ . 1]" 1
151 1 24 MET HG2 1 25 TYR H 5.040 . 5.040 4.776 2.583 5.140 0.100 6 0 "[ . 1]" 1
152 1 25 TYR H 1 25 TYR HB2 3.170 . 3.170 3.222 3.105 3.374 0.204 9 0 "[ . 1]" 1
153 1 25 TYR H 1 25 TYR HB3 3.080 . 3.080 2.749 2.451 3.222 0.142 10 0 "[ . 1]" 1
154 1 25 TYR HA 1 26 LEU H 2.860 . 2.860 2.215 2.143 2.342 . 0 0 "[ . 1]" 1
155 1 25 TYR HB2 1 26 LEU H 3.520 . 3.520 3.721 3.362 3.877 0.357 5 0 "[ . 1]" 1
156 1 25 TYR HB3 1 26 LEU H 3.760 . 3.760 3.827 3.604 3.931 0.171 6 0 "[ . 1]" 1
157 1 25 TYR QD 1 26 LEU H 7.630 . 7.630 3.237 2.684 4.716 . 0 0 "[ . 1]" 1
158 1 26 LEU H 1 26 LEU HB2 3.270 . 3.270 2.738 2.612 3.323 0.053 4 0 "[ . 1]" 1
159 1 26 LEU H 1 26 LEU HB3 3.580 . 3.580 3.645 2.776 3.801 0.221 8 0 "[ . 1]" 1
160 1 26 LEU H 1 26 LEU MD2 5.590 . 5.590 3.863 2.176 4.630 . 0 0 "[ . 1]" 1
161 1 26 LEU H 1 26 LEU HG 4.110 . 4.110 3.859 2.983 4.372 0.262 4 0 "[ . 1]" 1
162 1 26 LEU H 1 27 THR H 4.200 . 4.200 4.343 4.302 4.386 0.186 5 0 "[ . 1]" 1
163 1 26 LEU HA 1 26 LEU MD1 4.720 . 4.720 3.188 2.061 3.930 . 0 0 "[ . 1]" 1
164 1 26 LEU HA 1 27 THR H 2.680 . 2.680 2.373 2.253 2.492 . 0 0 "[ . 1]" 1
165 1 26 LEU HB2 1 27 THR H 3.520 . 3.520 3.606 3.534 3.688 0.168 4 0 "[ . 1]" 1
166 1 26 LEU HB3 1 27 THR H 3.520 . 3.520 2.455 2.098 3.531 0.011 4 0 "[ . 1]" 1
167 1 26 LEU HB3 1 31 ARG H 5.190 . 5.190 3.535 3.190 4.804 . 0 0 "[ . 1]" 1
168 1 26 LEU MD1 1 27 THR H 5.090 . 5.090 3.976 2.188 4.632 . 0 0 "[ . 1]" 1
169 1 26 LEU MD1 1 30 ARG HB3 5.620 . 5.620 3.885 2.338 5.048 . 0 0 "[ . 1]" 1
170 1 26 LEU MD1 1 30 ARG QG 7.400 . 7.400 2.886 1.880 4.633 . 0 0 "[ . 1]" 1
171 1 26 LEU MD1 1 31 ARG HA 5.810 . 5.810 3.797 2.339 4.990 . 0 0 "[ . 1]" 1
172 1 26 LEU MD1 1 34 VAL MG1 6.860 . 6.860 4.114 2.826 5.501 . 0 0 "[ . 1]" 1
173 1 26 LEU MD2 1 27 THR H 6.180 . 6.180 3.558 2.719 4.750 . 0 0 "[ . 1]" 1
174 1 26 LEU MD2 1 31 ARG H 5.840 . 5.840 4.337 3.043 5.360 . 0 0 "[ . 1]" 1
175 1 26 LEU MD2 1 31 ARG HB3 6.210 . 6.210 5.440 4.054 6.226 0.016 10 0 "[ . 1]" 1
176 1 26 LEU MD2 1 34 VAL MG1 7.140 . 7.140 4.284 3.218 5.413 . 0 0 "[ . 1]" 1
177 1 27 THR H 1 27 THR HB 3.480 . 3.480 3.421 3.176 3.542 0.062 1 0 "[ . 1]" 1
178 1 27 THR H 1 27 THR MG 4.160 . 4.160 3.191 2.785 3.431 . 0 0 "[ . 1]" 1
179 1 27 THR H 1 30 ARG HB2 3.450 . 3.450 3.315 2.924 3.519 0.069 4 0 "[ . 1]" 1
180 1 27 THR H 1 30 ARG HB3 3.390 . 3.390 2.265 1.758 3.071 . 0 0 "[ . 1]" 1
181 1 27 THR HA 1 28 ARG H 3.140 . 3.140 2.492 2.338 2.594 . 0 0 "[ . 1]" 1
182 1 27 THR HB 1 28 ARG H 3.270 . 3.270 2.459 2.188 2.947 . 0 0 "[ . 1]" 1
183 1 27 THR HB 1 29 ASP H 3.110 . 3.110 2.794 2.650 2.956 . 0 0 "[ . 1]" 1
184 1 27 THR MG 1 28 ARG H 5.900 . 5.900 2.926 2.260 3.288 . 0 0 "[ . 1]" 1
185 1 27 THR MG 1 29 ASP H 5.590 . 5.590 4.146 3.673 4.447 . 0 0 "[ . 1]" 1
186 1 28 ARG H 1 28 ARG HB2 3.480 . 3.480 2.194 2.133 2.269 . 0 0 "[ . 1]" 1
187 1 28 ARG H 1 28 ARG HB3 3.480 . 3.480 3.493 3.445 3.525 0.045 1 0 "[ . 1]" 1
188 1 28 ARG H 1 29 ASP H 3.330 . 3.330 2.746 2.705 2.787 . 0 0 "[ . 1]" 1
189 1 28 ARG HA 1 29 ASP H 3.520 . 3.520 3.543 3.530 3.552 0.032 4 0 "[ . 1]" 1
190 1 28 ARG HA 1 31 ARG H 3.830 . 3.830 3.678 3.382 3.773 . 0 0 "[ . 1]" 1
191 1 28 ARG HA 1 32 TYR H 4.170 . 4.170 4.084 3.910 4.186 0.016 2 0 "[ . 1]" 1
192 1 28 ARG HB2 1 29 ASP H 2.960 . 2.960 2.651 2.465 2.822 . 0 0 "[ . 1]" 1
193 1 28 ARG HB3 1 29 ASP H 3.080 . 3.080 3.085 2.995 3.150 0.070 1 0 "[ . 1]" 1
194 1 28 ARG QD 1 29 ASP H 6.380 . 6.380 4.573 4.154 4.848 . 0 0 "[ . 1]" 1
195 1 28 ARG HG3 1 29 ASP H 4.970 . 4.970 4.844 4.493 4.993 0.023 8 0 "[ . 1]" 1
196 1 29 ASP H 1 29 ASP HA 2.830 . 2.830 2.821 2.792 2.834 0.004 6 0 "[ . 1]" 1
197 1 29 ASP H 1 29 ASP HB2 3.020 . 3.020 2.452 2.388 2.557 . 0 0 "[ . 1]" 1
198 1 29 ASP H 1 29 ASP HB3 2.900 . 2.900 2.632 2.551 2.694 . 0 0 "[ . 1]" 1
199 1 29 ASP H 1 30 ARG H 3.080 . 3.080 2.689 2.590 2.761 . 0 0 "[ . 1]" 1
200 1 29 ASP H 1 31 ARG H 4.140 . 4.140 4.110 4.044 4.174 0.034 6 0 "[ . 1]" 1
201 1 29 ASP HA 1 30 ARG H 3.420 . 3.420 3.517 3.499 3.531 0.111 3 0 "[ . 1]" 1
202 1 29 ASP HA 1 32 TYR H 3.520 . 3.520 3.472 3.353 3.540 0.020 4 0 "[ . 1]" 1
203 1 29 ASP HA 1 32 TYR QB 5.080 . 5.080 2.663 2.431 2.868 . 0 0 "[ . 1]" 1
204 1 29 ASP HA 1 33 GLU H 3.920 . 3.920 4.010 3.945 4.074 0.154 4 0 "[ . 1]" 1
205 1 29 ASP HB2 1 30 ARG H 3.670 . 3.670 3.721 3.675 3.743 0.073 1 0 "[ . 1]" 1
206 1 29 ASP HB3 1 30 ARG H 3.420 . 3.420 2.449 2.355 2.543 . 0 0 "[ . 1]" 1
207 1 30 ARG H 1 30 ARG HB2 3.050 . 3.050 2.463 2.243 2.568 . 0 0 "[ . 1]" 1
208 1 30 ARG H 1 30 ARG HB3 2.930 . 2.930 2.634 2.503 2.931 0.001 4 0 "[ . 1]" 1
209 1 30 ARG H 1 31 ARG H 3.110 . 3.110 2.701 2.625 2.784 . 0 0 "[ . 1]" 1
210 1 30 ARG HA 1 33 GLU H 3.360 . 3.360 3.371 3.299 3.448 0.088 6 0 "[ . 1]" 1
211 1 31 ARG H 1 31 ARG HB2 3.110 . 3.110 2.469 2.293 2.600 . 0 0 "[ . 1]" 1
212 1 31 ARG H 1 31 ARG HB3 2.990 . 2.990 2.588 2.459 2.764 . 0 0 "[ . 1]" 1
213 1 31 ARG H 1 31 ARG HG2 4.940 . 4.940 4.512 4.415 4.656 . 0 0 "[ . 1]" 1
214 1 31 ARG H 1 31 ARG HG3 4.630 . 4.630 4.447 4.277 4.517 . 0 0 "[ . 1]" 1
215 1 31 ARG H 1 32 TYR H 3.170 . 3.170 2.655 2.612 2.711 . 0 0 "[ . 1]" 1
216 1 31 ARG HA 1 35 ALA H 3.830 . 3.830 3.898 3.851 3.964 0.134 9 0 "[ . 1]" 1
217 1 31 ARG HB3 1 32 TYR H 3.520 . 3.520 2.524 2.424 2.600 . 0 0 "[ . 1]" 1
218 1 32 TYR H 1 32 TYR QB 3.900 . 3.900 2.265 2.227 2.338 . 0 0 "[ . 1]" 1
219 1 32 TYR H 1 33 GLU H 3.140 . 3.140 2.609 2.541 2.663 . 0 0 "[ . 1]" 1
220 1 32 TYR H 1 42 GLU HG2 3.790 . 3.790 3.449 3.123 3.922 0.132 4 0 "[ . 1]" 1
221 1 32 TYR HA 1 35 ALA H 3.670 . 3.670 3.601 3.446 3.744 0.074 7 0 "[ . 1]" 1
222 1 32 TYR HA 1 35 ALA MB 5.430 . 5.430 2.531 2.305 2.792 . 0 0 "[ . 1]" 1
223 1 32 TYR QB 1 33 GLU H 4.210 . 4.210 2.631 2.532 2.765 . 0 0 "[ . 1]" 1
224 1 32 TYR QD 1 33 GLU H 6.950 . 6.950 3.931 3.661 4.227 . 0 0 "[ . 1]" 1
225 1 33 GLU H 1 33 GLU HB2 2.930 . 2.930 2.322 2.076 2.453 . 0 0 "[ . 1]" 1
226 1 33 GLU H 1 33 GLU HB3 2.960 . 2.960 2.757 2.589 3.038 0.078 5 0 "[ . 1]" 1
227 1 33 GLU H 1 33 GLU QG 4.960 . 4.960 3.976 3.644 4.079 . 0 0 "[ . 1]" 1
228 1 33 GLU H 1 34 VAL H 2.990 . 2.990 2.692 2.622 2.740 . 0 0 "[ . 1]" 1
229 1 33 GLU H 1 34 VAL MG1 5.740 . 5.740 5.813 5.771 5.837 0.097 9 0 "[ . 1]" 1
230 1 33 GLU H 1 35 ALA H 4.040 . 4.040 3.991 3.861 4.050 0.010 7 0 "[ . 1]" 1
231 1 33 GLU HA 1 36 ARG H 3.270 . 3.270 3.338 3.307 3.359 0.089 9 0 "[ . 1]" 1
232 1 33 GLU HA 1 37 VAL H 3.760 . 3.760 3.843 3.805 3.875 0.115 5 0 "[ . 1]" 1
233 1 33 GLU HB2 1 34 VAL H 3.480 . 3.480 3.513 3.215 3.595 0.115 10 0 "[ . 1]" 1
234 1 33 GLU QG 1 34 VAL H 6.380 . 6.380 3.781 3.456 4.391 . 0 0 "[ . 1]" 1
235 1 33 GLU QG 1 34 VAL MG1 7.400 . 7.400 5.695 5.318 6.595 . 0 0 "[ . 1]" 1
236 1 33 GLU QG 1 37 VAL MG1 6.720 . 6.720 4.953 4.529 6.341 . 0 0 "[ . 1]" 1
237 1 34 VAL H 1 34 VAL HB 2.900 . 2.900 2.442 2.404 2.489 . 0 0 "[ . 1]" 1
238 1 34 VAL H 1 34 VAL MG1 4.100 . 4.100 3.752 3.745 3.763 . 0 0 "[ . 1]" 1
239 1 34 VAL H 1 35 ALA H 3.050 . 3.050 2.733 2.659 2.786 . 0 0 "[ . 1]" 1
240 1 34 VAL H 1 35 ALA MB 6.430 . 6.430 4.370 4.279 4.440 . 0 0 "[ . 1]" 1
241 1 34 VAL HA 1 37 VAL H 3.520 . 3.520 3.555 3.469 3.598 0.078 8 0 "[ . 1]" 1
242 1 34 VAL HA 1 37 VAL MG1 6.520 . 6.520 3.997 3.600 4.330 . 0 0 "[ . 1]" 1
243 1 34 VAL HA 1 37 VAL MG2 6.520 . 6.520 3.039 2.712 3.193 . 0 0 "[ . 1]" 1
244 1 34 VAL HB 1 35 ALA H 2.930 . 2.930 2.597 2.536 2.677 . 0 0 "[ . 1]" 1
245 1 34 VAL MG2 1 35 ALA H 5.000 . 5.000 3.909 3.860 3.984 . 0 0 "[ . 1]" 1
246 1 35 ALA H 1 36 ARG H 3.020 . 3.020 2.681 2.566 2.795 . 0 0 "[ . 1]" 1
247 1 35 ALA HA 1 38 LEU H 3.790 . 3.790 3.619 3.424 3.777 . 0 0 "[ . 1]" 1
248 1 35 ALA HA 1 45 VAL QG 7.230 . 7.230 2.493 2.131 2.723 . 0 0 "[ . 1]" 1
249 1 35 ALA MB 1 36 ARG H 4.160 . 4.160 2.479 2.348 2.579 . 0 0 "[ . 1]" 1
250 1 35 ALA MB 1 42 GLU H 4.690 . 4.690 3.482 3.248 3.787 . 0 0 "[ . 1]" 1
251 1 35 ALA MB 1 42 GLU HA 5.620 . 5.620 2.676 2.058 3.190 . 0 0 "[ . 1]" 1
252 1 35 ALA MB 1 42 GLU HG3 5.900 . 5.900 3.479 2.469 4.218 . 0 0 "[ . 1]" 1
253 1 35 ALA MB 1 45 VAL QG 8.620 . 8.620 2.040 1.696 2.254 . 0 0 "[ . 1]" 1
254 1 36 ARG H 1 36 ARG HA 2.830 . 2.830 2.817 2.799 2.832 0.002 4 0 "[ . 1]" 1
255 1 36 ARG H 1 36 ARG HB2 2.770 . 2.770 2.097 2.051 2.133 . 0 0 "[ . 1]" 1
256 1 36 ARG H 1 36 ARG HB3 2.800 . 2.800 2.906 2.873 2.950 0.150 5 0 "[ . 1]" 1
257 1 36 ARG H 1 37 VAL H 3.020 . 3.020 2.624 2.536 2.732 . 0 0 "[ . 1]" 1
258 1 36 ARG HA 1 36 ARG HD2 4.260 . 4.260 3.730 1.882 4.296 0.036 3 0 "[ . 1]" 1
259 1 36 ARG HA 1 36 ARG HD3 5.100 . 5.100 3.603 2.547 4.611 . 0 0 "[ . 1]" 1
260 1 36 ARG HB2 1 37 VAL H 3.240 . 3.240 3.352 3.308 3.408 0.168 9 0 "[ . 1]" 1
261 1 36 ARG HB3 1 37 VAL H 3.050 . 3.050 2.490 2.371 2.660 . 0 0 "[ . 1]" 1
262 1 37 VAL H 1 37 VAL HA 2.930 . 2.930 2.793 2.756 2.812 . 0 0 "[ . 1]" 1
263 1 37 VAL H 1 37 VAL HB 2.800 . 2.800 2.486 2.387 2.585 . 0 0 "[ . 1]" 1
264 1 37 VAL H 1 37 VAL MG1 3.950 . 3.950 3.767 3.743 3.787 . 0 0 "[ . 1]" 1
265 1 37 VAL H 1 37 VAL MG2 4.470 . 4.470 2.163 2.006 2.333 . 0 0 "[ . 1]" 1
266 1 37 VAL H 1 38 LEU H 3.050 . 3.050 2.765 2.701 2.870 . 0 0 "[ . 1]" 1
267 1 37 VAL HB 1 38 LEU H 3.330 . 3.330 2.907 2.729 3.183 . 0 0 "[ . 1]" 1
268 1 37 VAL MG1 1 38 LEU H 5.120 . 5.120 3.494 3.210 3.877 . 0 0 "[ . 1]" 1
269 1 37 VAL MG2 1 38 LEU H 5.120 . 5.120 4.018 3.893 4.119 . 0 0 "[ . 1]" 1
270 1 37 VAL MG2 1 38 LEU MD1 6.950 . 6.950 5.557 5.141 6.580 . 0 0 "[ . 1]" 1
271 1 37 VAL MG2 1 38 LEU MD2 7.540 . 7.540 5.243 4.771 6.327 . 0 0 "[ . 1]" 1
272 1 38 LEU H 1 38 LEU HB2 3.140 . 3.140 2.470 2.320 3.182 0.042 7 0 "[ . 1]" 1
273 1 38 LEU H 1 38 LEU HB3 3.520 . 3.520 3.451 2.141 3.618 0.098 10 0 "[ . 1]" 1
274 1 38 LEU H 1 38 LEU MD1 5.120 . 5.120 3.720 3.321 4.317 . 0 0 "[ . 1]" 1
275 1 38 LEU H 1 38 LEU MD2 5.310 . 5.310 3.758 3.486 3.993 . 0 0 "[ . 1]" 1
276 1 38 LEU H 1 38 LEU HG 3.420 . 3.420 2.804 2.533 3.801 0.381 7 0 "[ . 1]" 1
277 1 38 LEU H 1 39 ASN H 3.020 . 3.020 2.795 2.468 3.063 0.043 9 0 "[ . 1]" 1
278 1 38 LEU H 1 40 LEU H 3.670 . 3.670 3.746 3.586 3.844 0.174 4 0 "[ . 1]" 1
279 1 38 LEU HA 1 38 LEU MD1 4.720 . 4.720 3.737 2.605 3.898 . 0 0 "[ . 1]" 1
280 1 38 LEU HB2 1 39 ASN H 3.580 . 3.580 2.720 1.807 3.642 0.062 6 0 "[ . 1]" 1
281 1 38 LEU HG 1 39 ASN H 4.940 . 4.940 4.167 1.714 4.818 . 0 0 "[ . 1]" 1
282 1 39 ASN H 1 39 ASN HB2 3.420 . 3.420 3.263 3.023 3.455 0.035 7 0 "[ . 1]" 1
283 1 39 ASN H 1 39 ASN HB3 3.360 . 3.360 3.432 3.312 3.584 0.224 6 0 "[ . 1]" 1
284 1 39 ASN H 1 40 LEU H 2.860 . 2.860 2.150 1.621 2.709 . 0 0 "[ . 1]" 1
285 1 39 ASN HA 1 39 ASN HB2 2.900 . 2.900 2.556 2.473 2.630 . 0 0 "[ . 1]" 1
286 1 39 ASN HA 1 39 ASN HB3 2.960 . 2.960 3.006 3.000 3.013 0.053 3 0 "[ . 1]" 1
287 1 39 ASN HB3 1 40 LEU H 4.140 . 4.140 4.127 3.936 4.221 0.081 2 0 "[ . 1]" 1
288 1 40 LEU H 1 40 LEU HB2 3.360 . 3.360 2.656 2.548 2.751 . 0 0 "[ . 1]" 1
289 1 40 LEU H 1 40 LEU MD1 5.680 . 5.680 3.850 2.617 4.271 . 0 0 "[ . 1]" 1
290 1 40 LEU H 1 40 LEU MD2 5.430 . 5.430 3.854 2.136 4.523 . 0 0 "[ . 1]" 1
291 1 40 LEU H 1 40 LEU HG 4.230 . 4.230 3.407 2.915 4.263 0.033 10 0 "[ . 1]" 1
292 1 40 LEU H 1 45 VAL QG 7.600 . 7.600 4.701 4.075 5.243 . 0 0 "[ . 1]" 1
293 1 40 LEU HA 1 40 LEU MD1 4.540 . 4.540 3.613 2.046 3.915 . 0 0 "[ . 1]" 1
294 1 40 LEU HA 1 41 THR H 2.960 . 2.960 2.582 2.453 2.656 . 0 0 "[ . 1]" 1
295 1 40 LEU HB2 1 41 THR H 3.330 . 3.330 3.233 2.972 3.386 0.056 1 0 "[ . 1]" 1
296 1 40 LEU HB3 1 44 GLN H 4.010 . 4.010 4.116 4.042 4.188 0.178 10 0 "[ . 1]" 1
297 1 40 LEU HB3 1 45 VAL H 5.070 . 5.070 4.195 3.399 5.102 0.032 1 0 "[ . 1]" 1
298 1 40 LEU MD1 1 41 THR H 5.000 . 5.000 4.059 3.612 4.546 . 0 0 "[ . 1]" 1
299 1 40 LEU MD2 1 45 VAL QG 8.620 . 8.620 4.288 2.283 5.381 . 0 0 "[ . 1]" 1
300 1 41 THR H 1 41 THR MG 4.130 . 4.130 2.941 2.313 3.826 . 0 0 "[ . 1]" 1
301 1 41 THR H 1 44 GLN H 3.730 . 3.730 3.363 3.088 3.737 0.007 1 0 "[ . 1]" 1
302 1 41 THR H 1 44 GLN QB 5.020 . 5.020 2.258 1.447 3.168 . 0 0 "[ . 1]" 1
303 1 41 THR HA 1 42 GLU H 2.800 . 2.800 2.545 2.416 2.625 . 0 0 "[ . 1]" 1
304 1 41 THR HB 1 42 GLU H 2.960 . 2.960 2.264 2.067 2.639 . 0 0 "[ . 1]" 1
305 1 42 GLU H 1 42 GLU HG2 4.170 . 4.170 3.605 3.380 3.866 . 0 0 "[ . 1]" 1
306 1 42 GLU H 1 42 GLU HG3 3.890 . 3.890 2.409 2.085 2.971 . 0 0 "[ . 1]" 1
307 1 42 GLU H 1 43 ARG H 3.390 . 3.390 2.601 2.469 2.729 . 0 0 "[ . 1]" 1
308 1 42 GLU H 1 44 GLN H 4.010 . 4.010 4.119 4.023 4.283 0.273 8 0 "[ . 1]" 1
309 1 42 GLU HA 1 45 VAL H 3.610 . 3.610 3.550 3.370 3.642 0.032 2 0 "[ . 1]" 1
310 1 42 GLU QB 1 43 ARG H 4.020 . 4.020 2.617 2.423 2.806 . 0 0 "[ . 1]" 1
311 1 43 ARG H 1 44 GLN H 3.270 . 3.270 2.667 2.579 2.778 . 0 0 "[ . 1]" 1
312 1 43 ARG HA 1 45 VAL H 4.140 . 4.140 4.253 4.203 4.295 0.155 7 0 "[ . 1]" 1
313 1 43 ARG HA 1 46 LYS H 3.670 . 3.670 3.349 3.234 3.564 . 0 0 "[ . 1]" 1
314 1 43 ARG HA 1 47 ILE H 3.980 . 3.980 3.632 3.408 3.828 . 0 0 "[ . 1]" 1
315 1 43 ARG QB 1 44 GLN H 5.080 . 5.080 2.716 2.605 2.800 . 0 0 "[ . 1]" 1
316 1 43 ARG QD 2 11 VAL QG 2.500 . 5.500 2.797 2.194 3.118 . 0 0 "[ . 1]" 1
317 1 43 ARG QG 1 44 GLN H 6.380 . 6.380 3.939 3.238 4.254 . 0 0 "[ . 1]" 1
318 1 44 GLN H 1 44 GLN HG2 3.920 . 3.920 3.133 1.780 4.097 0.177 10 0 "[ . 1]" 1
319 1 44 GLN H 1 44 GLN HG3 4.420 . 4.420 3.502 2.693 4.144 . 0 0 "[ . 1]" 1
320 1 44 GLN HA 1 44 GLN HG3 4.170 . 4.170 3.333 2.314 3.912 . 0 0 "[ . 1]" 1
321 1 44 GLN HA 1 47 ILE HB 4.110 . 4.110 3.466 3.182 3.747 . 0 0 "[ . 1]" 1
322 1 44 GLN HA 1 47 ILE MD 5.930 . 5.930 4.514 3.458 5.735 . 0 0 "[ . 1]" 1
323 1 44 GLN QB 1 45 VAL H 5.110 . 5.110 2.712 2.585 3.051 . 0 0 "[ . 1]" 1
324 1 45 VAL H 1 45 VAL HB 2.960 . 2.960 2.538 2.443 2.635 . 0 0 "[ . 1]" 1
325 1 45 VAL H 1 46 LYS H 3.140 . 3.140 2.468 2.411 2.527 . 0 0 "[ . 1]" 1
326 1 45 VAL HA 1 48 TRP H 3.860 . 3.860 3.532 3.337 3.724 . 0 0 "[ . 1]" 1
327 1 45 VAL HB 1 46 LYS H 2.860 . 2.860 2.597 2.449 2.743 . 0 0 "[ . 1]" 1
328 1 45 VAL QG 1 46 LYS H 7.130 . 7.130 3.212 3.168 3.292 . 0 0 "[ . 1]" 1
329 1 46 LYS H 1 46 LYS HB2 2.860 . 2.860 2.141 2.027 2.389 . 0 0 "[ . 1]" 1
330 1 46 LYS H 1 46 LYS HB3 3.170 . 3.170 2.967 2.584 3.209 0.039 7 0 "[ . 1]" 1
331 1 46 LYS H 1 47 ILE H 3.520 . 3.520 2.775 2.650 2.821 . 0 0 "[ . 1]" 1
332 1 46 LYS HA 1 46 LYS HE2 5.070 . 5.070 4.711 4.268 5.034 . 0 0 "[ . 1]" 1
333 1 46 LYS HA 1 46 LYS QE 4.410 . 4.410 4.123 3.809 4.453 0.043 1 0 "[ . 1]" 1
334 1 46 LYS HA 1 46 LYS HE3 5.070 . 5.070 4.578 4.026 5.093 0.023 3 0 "[ . 1]" 1
335 1 46 LYS HA 1 49 PHE H 4.010 . 4.010 3.763 3.481 4.023 0.013 1 0 "[ . 1]" 1
336 1 46 LYS HB2 1 47 ILE H 3.300 . 3.300 3.376 3.181 3.568 0.268 10 0 "[ . 1]" 1
337 1 47 ILE H 1 47 ILE HB 2.990 . 2.990 2.480 2.279 2.595 . 0 0 "[ . 1]" 1
338 1 47 ILE H 1 47 ILE MD 5.680 . 5.680 3.377 2.169 3.831 . 0 0 "[ . 1]" 1
339 1 47 ILE H 1 47 ILE HG12 4.070 . 4.070 3.036 2.118 4.098 0.028 6 0 "[ . 1]" 1
340 1 47 ILE H 1 47 ILE HG13 3.640 . 3.640 2.955 2.151 3.695 0.055 6 0 "[ . 1]" 1
341 1 47 ILE H 1 48 TRP H 3.390 . 3.390 2.610 2.537 2.738 . 0 0 "[ . 1]" 1
342 1 47 ILE HA 1 50 GLN H 3.240 . 3.240 3.303 3.222 3.399 0.159 9 0 "[ . 1]" 1
343 1 47 ILE HA 2 11 VAL QG 2.500 . 5.500 4.378 4.122 4.538 . 0 0 "[ . 1]" 1
344 1 47 ILE HB 1 48 TRP H 3.420 . 3.420 2.823 2.667 2.914 . 0 0 "[ . 1]" 1
345 1 47 ILE MD 2 11 VAL QG 2.500 . 6.000 2.864 2.139 3.582 . 0 0 "[ . 1]" 1
346 1 47 ILE MG 1 48 TRP H 5.190 . 5.190 3.468 2.971 3.644 . 0 0 "[ . 1]" 1
347 1 47 ILE MG 1 51 ASN HD21 5.250 . 5.250 3.280 2.091 4.638 . 0 0 "[ . 1]" 1
348 1 47 ILE MG 1 51 ASN HD22 5.220 . 5.220 4.240 2.588 5.278 0.058 7 0 "[ . 1]" 1
349 1 47 ILE MG 2 11 VAL QG 2.500 . 6.000 2.303 1.891 2.989 . 0 0 "[ . 1]" 1
350 1 48 TRP H 1 48 TRP HB2 3.080 . 3.080 2.377 2.109 2.512 . 0 0 "[ . 1]" 1
351 1 48 TRP H 1 48 TRP HB3 3.210 . 3.210 2.752 2.588 3.058 . 0 0 "[ . 1]" 1
352 1 48 TRP H 1 48 TRP HD1 5.500 . 5.500 4.714 4.247 4.928 . 0 0 "[ . 1]" 1
353 1 48 TRP H 1 49 PHE H 3.360 . 3.360 2.662 2.589 2.770 . 0 0 "[ . 1]" 1
354 1 48 TRP HA 1 51 ASN H 3.670 . 3.670 3.456 3.231 3.668 . 0 0 "[ . 1]" 1
355 1 48 TRP HA 1 51 ASN HB2 5.500 . 5.500 2.896 2.111 3.635 . 0 0 "[ . 1]" 1
356 1 48 TRP HB3 1 49 PHE H 3.550 . 3.550 2.553 2.396 2.632 . 0 0 "[ . 1]" 1
357 1 49 PHE H 1 49 PHE HB2 3.240 . 3.240 2.148 2.054 2.270 . 0 0 "[ . 1]" 1
358 1 49 PHE H 1 49 PHE HB3 3.240 . 3.240 3.440 3.351 3.496 0.256 10 0 "[ . 1]" 1
359 1 49 PHE H 1 49 PHE HD1 3.730 . 3.730 2.682 2.392 3.510 . 0 0 "[ . 1]" 1
360 1 49 PHE H 1 50 GLN H 3.360 . 3.360 2.558 2.422 2.655 . 0 0 "[ . 1]" 1
361 1 49 PHE HA 1 50 GLN H 3.240 . 3.240 3.468 3.429 3.507 0.267 9 0 "[ . 1]" 1
362 1 49 PHE HA 1 52 ARG H 3.640 . 3.640 3.520 3.273 3.738 0.098 2 0 "[ . 1]" 1
363 1 49 PHE HB2 1 50 GLN H 3.580 . 3.580 2.878 2.680 3.087 . 0 0 "[ . 1]" 1
364 1 49 PHE HB3 1 50 GLN H 3.670 . 3.670 3.386 3.104 3.707 0.037 10 0 "[ . 1]" 1
365 1 50 GLN H 1 50 GLN HB2 3.020 . 3.020 2.086 1.981 2.159 . 0 0 "[ . 1]" 1
366 1 50 GLN H 1 50 GLN HB3 3.050 . 3.050 3.108 3.042 3.248 0.198 3 0 "[ . 1]" 1
367 1 50 GLN H 1 50 GLN HG2 3.950 . 3.950 3.981 3.859 4.166 0.216 9 0 "[ . 1]" 1
368 1 50 GLN H 1 50 GLN HG3 4.540 . 4.540 4.419 4.301 4.538 . 0 0 "[ . 1]" 1
369 1 50 GLN H 1 51 ASN H 3.140 . 3.140 2.503 2.438 2.581 . 0 0 "[ . 1]" 1
370 1 50 GLN HA 1 51 ASN H 3.550 . 3.550 3.514 3.478 3.542 . 0 0 "[ . 1]" 1
371 1 50 GLN HB2 1 51 ASN H 3.330 . 3.330 3.246 2.972 3.345 0.015 10 0 "[ . 1]" 1
372 1 50 GLN HB3 1 51 ASN H 3.240 . 3.240 2.810 2.597 2.990 . 0 0 "[ . 1]" 1
373 1 51 ASN H 1 51 ASN HB2 2.960 . 2.960 2.193 2.003 2.347 . 0 0 "[ . 1]" 1
374 1 51 ASN H 1 51 ASN HB3 3.080 . 3.080 2.936 2.661 3.301 0.221 3 0 "[ . 1]" 1
375 1 51 ASN H 1 51 ASN HD21 5.220 . 5.220 3.922 2.831 4.313 . 0 0 "[ . 1]" 1
376 1 51 ASN H 1 51 ASN HD22 5.500 . 5.500 5.251 4.402 5.586 0.086 5 0 "[ . 1]" 1
377 1 51 ASN HB2 1 52 ARG H 3.550 . 3.550 3.403 2.899 3.652 0.102 2 0 "[ . 1]" 1
378 1 51 ASN HB3 1 52 ARG H 3.550 . 3.550 2.624 2.316 2.967 . 0 0 "[ . 1]" 1
379 1 52 ARG H 1 52 ARG HB2 3.420 . 3.420 2.285 2.045 2.589 . 0 0 "[ . 1]" 1
380 1 52 ARG H 1 52 ARG HB3 3.240 . 3.240 2.980 2.474 3.515 0.275 6 0 "[ . 1]" 1
381 1 52 ARG H 1 53 ARG H 3.390 . 3.390 2.663 2.549 2.746 . 0 0 "[ . 1]" 1
382 1 52 ARG HA 1 55 LYS H 3.830 . 3.830 3.488 3.195 3.787 . 0 0 "[ . 1]" 1
383 1 52 ARG HB2 1 53 ARG H 3.860 . 3.860 3.461 2.685 3.888 0.028 10 0 "[ . 1]" 1
384 1 52 ARG HB3 1 53 ARG H 3.830 . 3.830 2.913 2.518 3.715 . 0 0 "[ . 1]" 1
385 1 53 ARG H 1 54 MET H 3.170 . 3.170 2.665 2.504 2.855 . 0 0 "[ . 1]" 1
386 1 53 ARG HA 1 56 MET H 3.790 . 3.790 3.594 3.368 3.836 0.046 2 0 "[ . 1]" 1
387 1 53 ARG HA 1 56 MET HB3 3.860 . 3.860 3.782 3.349 3.908 0.048 4 0 "[ . 1]" 1
388 1 53 ARG QB 1 54 MET H 5.200 . 5.200 2.484 2.217 2.611 . 0 0 "[ . 1]" 1
389 1 54 MET H 1 54 MET HG2 3.950 . 3.950 3.264 2.440 4.208 0.258 7 0 "[ . 1]" 1
390 1 54 MET H 1 54 MET HG3 3.920 . 3.920 3.174 2.147 4.010 0.090 7 0 "[ . 1]" 1
391 1 54 MET HA 1 54 MET HG2 3.790 . 3.790 3.330 2.377 3.960 0.170 10 0 "[ . 1]" 1
392 1 54 MET HA 1 54 MET HG3 3.420 . 3.420 3.251 2.829 3.595 0.175 5 0 "[ . 1]" 1
393 1 54 MET HA 1 55 LYS H 3.420 . 3.420 3.476 3.458 3.516 0.096 7 0 "[ . 1]" 1
394 1 54 MET QB 1 55 LYS H 4.460 . 4.460 3.119 2.690 3.551 . 0 0 "[ . 1]" 1
395 1 54 MET ME 2 16 VAL QG 2.500 . 5.500 2.840 2.243 3.159 . 0 0 "[ . 1]" 1
396 1 54 MET HG2 1 55 LYS H 5.070 . 5.070 3.837 2.508 5.091 0.021 6 0 "[ . 1]" 1
397 1 54 MET HG3 1 55 LYS H 5.440 . 5.440 3.454 1.959 4.697 . 0 0 "[ . 1]" 1
398 1 55 LYS H 1 55 LYS QD 5.640 . 5.640 4.183 3.555 4.828 . 0 0 "[ . 1]" 1
399 1 55 LYS HA 1 56 MET H 3.360 . 3.360 3.453 3.421 3.504 0.144 2 0 "[ . 1]" 1
400 1 55 LYS HA 1 58 LYS H 3.730 . 3.730 3.666 3.363 3.826 0.096 9 0 "[ . 1]" 1
401 1 55 LYS QB 1 56 MET H 4.430 . 4.430 2.753 2.487 2.912 . 0 0 "[ . 1]" 1
402 1 56 MET H 1 56 MET HA 2.900 . 2.900 2.820 2.748 2.869 . 0 0 "[ . 1]" 1
403 1 56 MET H 1 56 MET HB2 2.900 . 2.900 2.117 2.017 2.208 . 0 0 "[ . 1]" 1
404 1 56 MET H 1 56 MET HB3 2.830 . 2.830 2.892 2.862 2.975 0.145 3 0 "[ . 1]" 1
405 1 56 MET H 1 56 MET HG3 3.950 . 3.950 4.030 3.951 4.115 0.165 10 0 "[ . 1]" 1
406 1 56 MET H 1 57 LYS H 3.080 . 3.080 2.561 2.363 2.891 . 0 0 "[ . 1]" 1
407 1 56 MET HB2 1 57 LYS H 3.300 . 3.300 3.390 3.253 3.475 0.175 3 0 "[ . 1]" 1
408 1 56 MET HB3 1 57 LYS H 3.330 . 3.330 2.558 2.290 3.104 . 0 0 "[ . 1]" 1
409 1 56 MET HG2 1 57 LYS H 5.190 . 5.190 4.431 4.125 4.978 . 0 0 "[ . 1]" 1
410 1 56 MET HG3 1 57 LYS H 4.850 . 4.850 4.923 4.859 4.974 0.124 6 0 "[ . 1]" 1
411 1 57 LYS H 1 57 LYS QB 3.840 . 3.840 2.525 2.057 2.972 . 0 0 "[ . 1]" 1
412 1 57 LYS H 1 57 LYS HG2 3.700 . 3.700 2.738 1.884 3.628 . 0 0 "[ . 1]" 1
413 1 57 LYS H 1 57 LYS HG3 4.350 . 4.350 3.038 1.736 4.356 0.006 10 0 "[ . 1]" 1
414 1 57 LYS HA 1 57 LYS HG2 3.790 . 3.790 3.081 2.515 3.696 . 0 0 "[ . 1]" 1
415 1 57 LYS HA 1 57 LYS HG3 3.950 . 3.950 3.514 3.049 3.795 . 0 0 "[ . 1]" 1
416 1 57 LYS HA 1 60 ASN HB2 3.760 . 3.760 3.702 3.314 3.875 0.115 2 0 "[ . 1]" 1
417 1 58 LYS H 1 58 LYS HG2 3.920 . 3.920 3.282 1.577 4.057 0.137 9 0 "[ . 1]" 1
418 1 58 LYS H 1 58 LYS HG3 4.350 . 4.350 2.991 1.941 4.471 0.121 9 0 "[ . 1]" 1
419 1 58 LYS H 1 59 MET H 3.050 . 3.050 2.710 2.449 2.957 . 0 0 "[ . 1]" 1
420 1 58 LYS QB 1 59 MET H 4.550 . 4.550 2.751 1.974 3.733 . 0 0 "[ . 1]" 1
421 1 58 LYS QD 2 16 VAL QG 2.500 . 5.500 2.170 1.772 2.971 0.028 10 0 "[ . 1]" 1
422 1 58 LYS QE 2 16 VAL HB 2.500 . 5.500 3.872 2.618 4.949 . 0 0 "[ . 1]" 1
423 1 58 LYS QE 2 16 VAL QG 2.500 . 5.500 2.707 1.833 3.053 . 0 0 "[ . 1]" 1
424 1 59 MET H 1 60 ASN H 3.390 . 3.390 3.371 3.142 3.498 0.108 8 0 "[ . 1]" 1
425 1 59 MET HA 1 60 ASN H 3.300 . 3.300 2.486 2.201 2.815 . 0 0 "[ . 1]" 1
426 1 59 MET QB 2 16 VAL QG 2.500 . 6.000 2.647 1.954 3.164 . 0 0 "[ . 1]" 1
427 1 60 ASN HA 1 60 ASN HB2 2.830 . 2.830 2.512 2.369 2.651 . 0 0 "[ . 1]" 1
428 1 60 ASN HA 1 60 ASN HB3 2.830 . 2.830 2.951 2.565 3.007 0.177 6 0 "[ . 1]" 1
429 2 1 ASN HA 2 2 GLN H 3.560 . 3.560 2.502 2.141 3.245 . 0 0 "[ . 1]" 1
430 2 1 ASN QB 2 2 GLN H 4.400 . 4.400 3.198 1.564 3.919 . 0 0 "[ . 1]" 1
431 2 1 ASN HB2 2 2 GLN H 5.000 . 5.000 3.889 2.969 4.419 . 0 0 "[ . 1]" 1
432 2 1 ASN HB3 2 2 GLN H 5.000 . 5.000 3.581 1.570 4.391 . 0 0 "[ . 1]" 1
433 2 2 GLN H 2 2 GLN QB 3.650 . 3.650 2.818 2.295 3.340 . 0 0 "[ . 1]" 1
434 2 2 GLN H 2 2 GLN QG 4.320 . 4.320 2.886 2.141 4.090 . 0 0 "[ . 1]" 1
435 2 2 GLN HA 2 3 GLU H 3.390 . 3.390 2.652 2.167 2.969 . 0 0 "[ . 1]" 1
436 2 2 GLN QB 2 3 GLU H 4.110 . 4.110 3.386 1.753 4.015 . 0 0 "[ . 1]" 1
437 2 2 GLN QB 2 4 PHE H 4.690 . 4.690 4.037 2.407 4.681 . 0 0 "[ . 1]" 1
438 2 2 GLN HB2 2 3 GLU H 4.860 . 4.860 3.839 2.478 4.626 . 0 0 "[ . 1]" 1
439 2 2 GLN HB2 2 4 PHE H 5.500 . 5.500 4.741 2.422 5.580 0.080 7 0 "[ . 1]" 1
440 2 2 GLN HB3 2 3 GLU H 4.860 . 4.860 3.995 1.765 4.591 . 0 0 "[ . 1]" 1
441 2 2 GLN HB3 2 4 PHE H 5.500 . 5.500 4.673 4.165 5.338 . 0 0 "[ . 1]" 1
442 2 2 GLN QG 2 3 GLU H 4.860 . 4.860 4.279 3.622 4.857 . 0 0 "[ . 1]" 1
443 2 3 GLU H 2 3 GLU QB 3.490 . 3.490 2.668 2.310 3.383 . 0 0 "[ . 1]" 1
444 2 3 GLU H 2 3 GLU HG2 5.270 . 5.270 3.417 2.096 4.642 . 0 0 "[ . 1]" 1
445 2 3 GLU H 2 3 GLU QG 4.400 . 4.400 2.807 2.071 3.751 . 0 0 "[ . 1]" 1
446 2 3 GLU H 2 3 GLU HG3 5.270 . 5.270 3.438 2.087 4.339 . 0 0 "[ . 1]" 1
447 2 3 GLU H 2 4 PHE H 4.180 . 4.180 3.354 2.328 4.178 . 0 0 "[ . 1]" 1
448 2 3 GLU HA 2 4 PHE H 3.230 . 3.230 2.737 2.189 3.439 0.209 6 0 "[ . 1]" 1
449 2 3 GLU QB 2 4 PHE H 4.480 . 4.480 3.530 1.699 3.916 . 0 0 "[ . 1]" 1
450 2 3 GLU QG 2 4 PHE H 5.340 . 5.340 4.328 2.839 4.909 . 0 0 "[ . 1]" 1
451 2 4 PHE H 2 4 PHE HB2 3.950 . 3.950 2.670 2.346 2.981 . 0 0 "[ . 1]" 1
452 2 4 PHE H 2 4 PHE QB 3.380 . 3.380 2.408 2.242 2.748 . 0 0 "[ . 1]" 1
453 2 4 PHE H 2 4 PHE HB3 3.950 . 3.950 2.862 2.505 3.637 . 0 0 "[ . 1]" 1
454 2 4 PHE H 2 4 PHE QD 4.270 . 4.270 4.158 3.653 4.340 0.070 2 0 "[ . 1]" 1
455 2 4 PHE H 2 5 ASP H 3.770 . 3.770 2.394 1.864 2.926 . 0 0 "[ . 1]" 1
456 2 4 PHE HA 2 4 PHE QD 4.490 . 4.490 2.479 1.948 2.901 . 0 0 "[ . 1]" 1
457 2 4 PHE QB 2 5 ASP H 3.910 . 3.910 2.565 1.831 3.338 . 0 0 "[ . 1]" 1
458 2 4 PHE HB2 2 5 ASP H 4.530 . 4.530 3.599 2.538 4.212 . 0 0 "[ . 1]" 1
459 2 4 PHE HB3 2 5 ASP H 4.530 . 4.530 2.680 1.838 3.844 . 0 0 "[ . 1]" 1
460 2 5 ASP H 2 5 ASP HB2 4.120 . 4.120 3.297 2.219 3.948 . 0 0 "[ . 1]" 1
461 2 5 ASP H 2 5 ASP HB3 4.120 . 4.120 3.327 2.580 3.964 . 0 0 "[ . 1]" 1
462 2 5 ASP H 2 6 SER H 4.150 . 4.150 3.519 1.688 4.339 0.189 8 0 "[ . 1]" 1
463 2 5 ASP HA 2 6 SER H 3.160 . 3.160 2.639 2.145 3.311 0.151 1 0 "[ . 1]" 1
464 2 5 ASP QB 2 6 SER H 3.950 . 3.950 3.264 1.687 4.024 0.074 10 0 "[ . 1]" 1
465 2 5 ASP HB2 2 6 SER H 4.570 . 4.570 3.809 1.849 4.536 . 0 0 "[ . 1]" 1
466 2 5 ASP HB3 2 6 SER H 4.570 . 4.570 3.686 1.948 4.514 . 0 0 "[ . 1]" 1
467 2 6 SER H 2 6 SER HB2 3.890 . 3.890 3.080 2.582 3.645 . 0 0 "[ . 1]" 1
468 2 6 SER H 2 6 SER HB3 3.890 . 3.890 3.746 3.308 4.045 0.155 8 0 "[ . 1]" 1
469 2 6 SER H 2 7 GLU H 4.080 . 4.080 3.320 2.192 4.321 0.241 5 0 "[ . 1]" 1
470 2 6 SER HA 2 7 GLU H 3.320 . 3.320 2.644 2.063 3.068 . 0 0 "[ . 1]" 1
471 2 6 SER HA 2 9 GLU H 5.230 . 5.230 4.347 3.424 5.340 0.110 9 0 "[ . 1]" 1
472 2 6 SER QB 2 7 GLU H 3.900 . 3.900 3.555 2.129 3.924 0.024 4 0 "[ . 1]" 1
473 2 6 SER HB2 2 7 GLU H 4.510 . 4.510 4.023 2.867 4.427 . 0 0 "[ . 1]" 1
474 2 6 SER HB3 2 7 GLU H 4.510 . 4.510 4.060 2.195 4.581 0.071 10 0 "[ . 1]" 1
475 2 7 GLU H 2 7 GLU HB2 4.100 . 4.100 3.212 2.661 3.861 . 0 0 "[ . 1]" 1
476 2 7 GLU H 2 7 GLU QB 3.410 . 3.410 2.715 2.332 3.357 . 0 0 "[ . 1]" 1
477 2 7 GLU H 2 7 GLU HB3 4.100 . 4.100 3.115 2.557 3.689 . 0 0 "[ . 1]" 1
478 2 7 GLU H 2 7 GLU QG 4.780 . 4.780 3.042 1.799 4.218 . 0 0 "[ . 1]" 1
479 2 7 GLU H 2 8 GLU QG 5.270 . 5.270 3.979 3.238 5.256 . 0 0 "[ . 1]" 1
480 2 7 GLU H 2 9 GLU H 3.960 . 3.960 3.786 2.837 4.032 0.072 6 0 "[ . 1]" 1
481 2 7 GLU HA 2 8 GLU H 3.090 . 3.090 3.129 2.687 3.487 0.397 5 0 "[ . 1]" 1
482 2 7 GLU QG 2 8 GLU H 5.110 . 5.110 3.723 2.633 4.941 . 0 0 "[ . 1]" 1
483 2 8 GLU H 2 8 GLU QB 3.590 . 3.590 2.877 2.515 3.224 . 0 0 "[ . 1]" 1
484 2 8 GLU H 2 9 GLU H 3.700 . 3.700 2.014 1.733 2.282 . 0 0 "[ . 1]" 1
485 2 8 GLU H 2 9 GLU HA 4.180 . 4.180 4.289 4.132 4.443 0.263 9 0 "[ . 1]" 1
486 2 8 GLU H 2 9 GLU HB2 3.810 . 3.810 3.654 3.370 3.877 0.067 5 0 "[ . 1]" 1
487 2 8 GLU HA 2 9 GLU H 3.130 . 3.130 3.079 2.916 3.249 0.119 9 0 "[ . 1]" 1
488 2 9 GLU H 2 9 GLU HB2 3.690 . 3.690 2.368 2.129 2.730 . 0 0 "[ . 1]" 1
489 2 9 GLU H 2 9 GLU HB3 3.400 . 3.400 2.842 2.497 3.168 . 0 0 "[ . 1]" 1
490 2 9 GLU H 2 9 GLU QG 4.080 . 4.080 3.949 3.690 4.078 . 0 0 "[ . 1]" 1
491 2 9 GLU HA 2 10 THR H 3.090 . 3.090 2.862 2.589 3.420 0.330 5 0 "[ . 1]" 1
492 2 9 GLU HB2 2 10 THR H 4.070 . 4.070 3.758 3.623 3.991 . 0 0 "[ . 1]" 1
493 2 9 GLU HB3 2 10 THR H 4.360 . 4.360 2.660 2.211 2.995 . 0 0 "[ . 1]" 1
494 2 9 GLU QG 2 10 THR H 4.700 . 4.700 2.663 1.425 4.052 . 0 0 "[ . 1]" 1
495 2 10 THR H 2 10 THR HB 3.830 . 3.830 3.133 2.694 3.763 . 0 0 "[ . 1]" 1
496 2 10 THR H 2 10 THR MG 3.900 . 3.900 3.655 3.181 3.943 0.043 6 0 "[ . 1]" 1
497 2 10 THR H 2 11 VAL QG 4.960 . 4.960 4.218 3.173 5.178 0.218 10 0 "[ . 1]" 1
498 2 10 THR HA 2 10 THR MG 3.620 . 3.620 2.217 2.159 2.285 . 0 0 "[ . 1]" 1
499 2 10 THR HA 2 11 VAL H 3.120 . 3.120 2.833 2.161 3.486 0.366 6 0 "[ . 1]" 1
500 2 10 THR HB 2 11 VAL H 3.990 . 3.990 3.121 2.377 3.982 . 0 0 "[ . 1]" 1
501 2 10 THR MG 2 11 VAL H 4.140 . 4.140 3.324 2.105 4.170 0.030 1 0 "[ . 1]" 1
502 2 11 VAL H 2 11 VAL HB 3.630 . 3.630 2.844 2.583 3.038 . 0 0 "[ . 1]" 1
503 2 11 VAL H 2 11 VAL QG 3.420 . 3.420 2.206 1.736 2.631 . 0 0 "[ . 1]" 1
504 2 11 VAL H 2 12 GLU H 4.140 . 4.140 3.806 3.431 4.189 0.049 9 0 "[ . 1]" 1
505 2 11 VAL HA 2 11 VAL QG 3.320 . 3.320 2.099 2.029 2.132 . 0 0 "[ . 1]" 1
506 2 11 VAL HA 2 12 GLU H 3.130 . 3.130 2.258 2.078 2.477 . 0 0 "[ . 1]" 1
507 2 11 VAL QG 2 12 GLU H 3.660 . 3.660 3.394 3.132 3.639 . 0 0 "[ . 1]" 1
508 2 11 VAL QG 2 13 ASP H 5.020 . 5.020 4.733 2.799 5.062 0.042 4 0 "[ . 1]" 1
509 2 11 VAL QG 2 13 ASP HA 4.760 . 4.760 4.447 3.157 4.813 0.053 1 0 "[ . 1]" 1
510 2 12 GLU H 2 12 GLU HB2 3.700 . 3.700 2.413 2.074 2.861 . 0 0 "[ . 1]" 1
511 2 12 GLU H 2 12 GLU HB3 3.700 . 3.700 3.084 2.471 3.554 . 0 0 "[ . 1]" 1
512 2 12 GLU H 2 12 GLU QG 4.060 . 4.060 3.195 1.745 4.058 . 0 0 "[ . 1]" 1
513 2 12 GLU H 2 13 ASP H 4.680 . 4.680 4.313 2.823 4.570 . 0 0 "[ . 1]" 1
514 2 12 GLU HB2 2 13 ASP H 4.490 . 4.490 4.092 2.268 4.535 0.045 2 0 "[ . 1]" 1
515 2 12 GLU HB3 2 13 ASP H 4.490 . 4.490 3.763 3.022 4.358 . 0 0 "[ . 1]" 1
516 2 12 GLU QG 2 13 ASP H 4.920 . 4.920 3.319 2.034 4.387 . 0 0 "[ . 1]" 1
517 2 13 ASP H 2 13 ASP QB 3.690 . 3.690 2.563 2.238 2.964 . 0 0 "[ . 1]" 1
518 2 13 ASP H 2 14 SER H 4.090 . 4.090 3.487 2.424 4.357 0.267 7 0 "[ . 1]" 1
519 2 13 ASP HB2 2 14 SER H 4.600 . 4.600 4.018 3.096 4.621 0.021 1 0 "[ . 1]" 1
520 2 13 ASP HB3 2 14 SER H 4.600 . 4.600 3.934 2.099 4.501 . 0 0 "[ . 1]" 1
521 2 14 SER H 2 14 SER QB 3.650 . 3.650 2.836 2.451 3.420 . 0 0 "[ . 1]" 1
522 2 14 SER QB 2 15 LEU H 4.200 . 4.200 3.090 1.666 3.910 . 0 0 "[ . 1]" 1
523 2 14 SER QB 2 16 VAL H 5.180 . 5.180 4.449 3.435 5.202 0.022 10 0 "[ . 1]" 1
524 2 15 LEU H 2 15 LEU HB2 3.660 . 3.660 2.870 2.424 3.344 . 0 0 "[ . 1]" 1
525 2 15 LEU H 2 15 LEU QB 3.200 . 3.200 2.388 2.151 2.893 . 0 0 "[ . 1]" 1
526 2 15 LEU H 2 15 LEU HB3 3.660 . 3.660 2.581 2.220 3.198 . 0 0 "[ . 1]" 1
527 2 15 LEU H 2 15 LEU MD1 4.730 . 4.730 4.291 4.035 4.451 . 0 0 "[ . 1]" 1
528 2 15 LEU H 2 15 LEU MD2 4.730 . 4.730 4.237 3.771 4.792 0.062 10 0 "[ . 1]" 1
529 2 15 LEU H 2 16 VAL H 3.850 . 3.850 2.464 1.672 3.007 . 0 0 "[ . 1]" 1
530 2 15 LEU H 2 16 VAL QG 5.160 . 5.160 4.020 3.191 4.745 . 0 0 "[ . 1]" 1
531 2 15 LEU HA 2 15 LEU MD1 4.390 . 4.390 2.530 2.091 3.407 . 0 0 "[ . 1]" 1
532 2 15 LEU HA 2 15 LEU QD 3.520 . 3.520 2.331 1.794 3.159 . 0 0 "[ . 1]" 1
533 2 15 LEU HA 2 15 LEU MD2 4.390 . 4.390 3.660 1.803 3.931 . 0 0 "[ . 1]" 1
534 2 15 LEU HA 2 15 LEU HG 4.250 . 4.250 3.005 2.668 3.570 . 0 0 "[ . 1]" 1
535 2 15 LEU HA 2 16 VAL QG 4.890 . 4.890 4.075 3.590 4.475 . 0 0 "[ . 1]" 1
536 2 15 LEU QB 2 16 VAL H 3.790 . 3.790 2.429 1.760 3.151 . 0 0 "[ . 1]" 1
537 2 15 LEU QB 2 16 VAL QG 4.770 . 4.770 2.948 2.528 3.450 . 0 0 "[ . 1]" 1
538 2 15 LEU HB2 2 16 VAL H 4.420 . 4.420 3.771 3.362 4.287 . 0 0 "[ . 1]" 1
539 2 15 LEU HB3 2 16 VAL H 4.420 . 4.420 2.470 1.766 3.243 . 0 0 "[ . 1]" 1
540 2 15 LEU QD 2 16 VAL H 4.560 . 4.560 3.451 2.958 4.099 . 0 0 "[ . 1]" 1
541 2 16 VAL H 2 16 VAL HB 3.570 . 3.570 2.806 2.615 3.009 . 0 0 "[ . 1]" 1
542 2 16 VAL H 2 16 VAL QG 3.290 . 3.290 2.484 2.092 3.033 . 0 0 "[ . 1]" 1
543 2 16 VAL H 2 17 GLU H 4.100 . 4.100 3.560 3.209 3.732 . 0 0 "[ . 1]" 1
544 2 16 VAL H 2 17 GLU HA 4.610 . 4.610 4.602 4.332 4.793 0.183 8 0 "[ . 1]" 1
545 2 16 VAL HA 2 16 VAL QG 3.330 . 3.330 2.120 2.014 2.155 . 0 0 "[ . 1]" 1
546 2 16 VAL HA 2 17 GLU H 3.180 . 3.180 2.347 2.207 2.644 . 0 0 "[ . 1]" 1
547 2 16 VAL QG 2 17 GLU H 3.710 . 3.710 3.483 3.325 3.725 0.015 3 0 "[ . 1]" 1
548 2 16 VAL QG 2 18 ASP H 4.500 . 4.500 3.366 2.805 4.596 0.096 6 0 "[ . 1]" 1
549 2 17 GLU H 2 17 GLU HB2 3.800 . 3.800 3.131 2.295 3.697 . 0 0 "[ . 1]" 1
550 2 17 GLU H 2 17 GLU QB 3.320 . 3.320 2.693 2.269 2.983 . 0 0 "[ . 1]" 1
551 2 17 GLU H 2 17 GLU HB3 3.800 . 3.800 3.220 2.739 3.988 0.188 6 0 "[ . 1]" 1
552 2 17 GLU H 2 17 GLU QG 4.190 . 4.190 2.638 1.579 4.188 . 0 0 "[ . 1]" 1
553 2 17 GLU H 2 18 ASP H 4.260 . 4.260 2.962 2.125 3.948 . 0 0 "[ . 1]" 1
554 2 17 GLU HB2 2 18 ASP H 4.930 . 4.930 3.937 2.789 4.660 . 0 0 "[ . 1]" 1
555 2 17 GLU HB3 2 18 ASP H 4.930 . 4.930 4.266 3.808 4.529 . 0 0 "[ . 1]" 1
556 2 17 GLU QG 2 18 ASP H 5.220 . 5.220 3.967 2.862 4.732 . 0 0 "[ . 1]" 1
557 2 18 ASP H 2 19 SER H 4.090 . 4.090 3.188 2.162 4.211 0.121 1 0 "[ . 1]" 1
558 2 18 ASP HA 2 19 SER H 3.280 . 3.280 2.568 2.106 3.007 . 0 0 "[ . 1]" 1
559 2 18 ASP QB 2 19 SER H 4.380 . 4.380 3.879 3.756 4.009 . 0 0 "[ . 1]" 1
560 2 19 SER H 2 19 SER HB2 3.950 . 3.950 2.887 2.624 3.900 . 0 0 "[ . 1]" 1
561 2 19 SER H 2 19 SER HB3 3.950 . 3.950 3.696 3.578 3.941 . 0 0 "[ . 1]" 1
562 2 19 SER H 2 20 GLU H 3.830 . 3.830 2.156 1.598 2.611 . 0 0 "[ . 1]" 1
563 2 19 SER HB2 2 20 GLU H 4.350 . 4.350 2.896 2.120 3.603 . 0 0 "[ . 1]" 1
564 2 19 SER HB3 2 20 GLU H 4.350 . 4.350 3.987 3.514 4.416 0.066 7 0 "[ . 1]" 1
565 2 20 GLU H 2 20 GLU HB2 3.980 . 3.980 2.881 2.056 3.554 . 0 0 "[ . 1]" 1
566 2 20 GLU H 2 20 GLU QB 3.390 . 3.390 2.694 2.039 3.037 . 0 0 "[ . 1]" 1
567 2 20 GLU H 2 20 GLU HB3 3.980 . 3.980 3.533 2.890 4.035 0.055 6 0 "[ . 1]" 1
568 2 20 GLU H 2 20 GLU QG 4.280 . 4.280 3.712 2.288 4.325 0.045 9 0 "[ . 1]" 1
stop_
save_