Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
426833 | 2hg7 RC | 7224 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2hg7
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 988
_Distance_constraint_stats_list.Viol_count 1259
_Distance_constraint_stats_list.Viol_total 1567.401
_Distance_constraint_stats_list.Viol_max 0.488
_Distance_constraint_stats_list.Viol_rms 0.0213
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0040
_Distance_constraint_stats_list.Viol_average_violations_only 0.0622
_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 MET 0.502 0.114 17 0 "[ . 1 . 2]"
1 2 ILE 1.828 0.173 3 0 "[ . 1 . 2]"
1 3 LEU 8.133 0.301 6 0 "[ . 1 . 2]"
1 4 TYR 1.903 0.107 3 0 "[ . 1 . 2]"
1 5 ASP 3.041 0.114 9 0 "[ . 1 . 2]"
1 6 ALA 1.738 0.101 13 0 "[ . 1 . 2]"
1 7 ILE 0.623 0.060 17 0 "[ . 1 . 2]"
1 8 MET 1.839 0.114 9 0 "[ . 1 . 2]"
1 9 TYR 0.055 0.019 7 0 "[ . 1 . 2]"
1 10 LYS 1.070 0.270 20 0 "[ . 1 . 2]"
1 11 TYR 0.940 0.055 15 0 "[ . 1 . 2]"
1 12 PRO 1.371 0.123 10 0 "[ . 1 . 2]"
1 13 ASN 4.231 0.168 10 0 "[ . 1 . 2]"
1 14 ALA 0.387 0.122 4 0 "[ . 1 . 2]"
1 15 VAL 0.517 0.107 18 0 "[ . 1 . 2]"
1 16 SER 1.354 0.272 14 0 "[ . 1 . 2]"
1 17 ARG 2.334 0.272 14 0 "[ . 1 . 2]"
1 18 LYS 0.847 0.157 12 0 "[ . 1 . 2]"
1 19 ASP 0.480 0.107 18 0 "[ . 1 . 2]"
1 20 PHE 0.295 0.088 18 0 "[ . 1 . 2]"
1 21 GLU 0.813 0.153 17 0 "[ . 1 . 2]"
1 22 LEU 1.801 0.107 6 0 "[ . 1 . 2]"
1 23 ARG 4.707 0.222 14 0 "[ . 1 . 2]"
1 24 ASN 3.929 0.222 14 0 "[ . 1 . 2]"
1 25 ASP 0.163 0.068 19 0 "[ . 1 . 2]"
1 26 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 ASN 1.231 0.178 7 0 "[ . 1 . 2]"
1 28 GLY 1.180 0.178 7 0 "[ . 1 . 2]"
1 29 SER 0.103 0.051 12 0 "[ . 1 . 2]"
1 30 TYR 0.858 0.108 7 0 "[ . 1 . 2]"
1 31 ILE 1.638 0.108 7 0 "[ . 1 . 2]"
1 32 GLU 0.422 0.100 11 0 "[ . 1 . 2]"
1 33 LYS 5.549 0.214 9 0 "[ . 1 . 2]"
1 34 TRP 0.957 0.073 16 0 "[ . 1 . 2]"
1 35 ASN 1.846 0.154 4 0 "[ . 1 . 2]"
1 36 LEU 2.721 0.154 4 0 "[ . 1 . 2]"
1 37 ARG 1.103 0.118 17 0 "[ . 1 . 2]"
1 38 ALA 1.107 0.118 17 0 "[ . 1 . 2]"
1 39 PRO 0.182 0.055 20 0 "[ . 1 . 2]"
1 40 LEU 2.855 0.127 14 0 "[ . 1 . 2]"
1 41 PRO 1.474 0.214 12 0 "[ . 1 . 2]"
1 42 THR 3.359 0.214 12 0 "[ . 1 . 2]"
1 43 GLN 3.990 0.366 9 0 "[ . 1 . 2]"
1 44 ALA 1.881 0.169 10 0 "[ . 1 . 2]"
1 45 GLU 3.532 0.488 13 0 "[ . 1 . 2]"
1 46 LEU 2.861 0.124 17 0 "[ . 1 . 2]"
1 47 GLU 1.665 0.089 11 0 "[ . 1 . 2]"
1 48 THR 1.723 0.147 20 0 "[ . 1 . 2]"
1 49 TRP 0.842 0.061 17 0 "[ . 1 . 2]"
1 50 TRP 0.347 0.086 16 0 "[ . 1 . 2]"
1 51 GLU 8.269 0.449 5 0 "[ . 1 . 2]"
1 52 GLU 1.545 0.093 1 0 "[ . 1 . 2]"
1 53 LEU 0.862 0.094 2 0 "[ . 1 . 2]"
1 54 GLN 2.468 0.188 20 0 "[ . 1 . 2]"
1 55 LYS 6.045 0.180 6 0 "[ . 1 . 2]"
1 56 ASN 4.368 0.180 6 0 "[ . 1 . 2]"
1 57 PRO 0.052 0.033 7 0 "[ . 1 . 2]"
1 58 PRO 0.636 0.114 9 0 "[ . 1 . 2]"
1 59 TYR 1.093 0.136 1 0 "[ . 1 . 2]"
1 60 GLU 0.704 0.136 1 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 ILE HA 1 3 LEU H 2.220 . 2.640 2.142 2.110 2.202 . 0 0 "[ . 1 . 2]" 1
2 1 2 ILE HB 1 3 LEU H 2.980 . 4.170 4.234 4.028 4.343 0.173 3 0 "[ . 1 . 2]" 1
3 1 3 LEU H 1 3 LEU HB2 2.370 . 2.940 2.032 1.988 2.107 . 0 0 "[ . 1 . 2]" 1
4 1 3 LEU H 1 3 LEU HB3 2.450 . 3.110 3.313 3.174 3.411 0.301 6 0 "[ . 1 . 2]" 1
5 1 3 LEU H 1 4 TYR H 2.830 . 3.860 2.558 2.458 2.665 . 0 0 "[ . 1 . 2]" 1
6 1 3 LEU HB2 1 4 TYR H 2.710 . 3.620 3.043 2.756 3.281 . 0 0 "[ . 1 . 2]" 1
7 1 3 LEU HB3 1 4 TYR H 2.510 . 3.220 3.214 3.016 3.319 0.099 9 0 "[ . 1 . 2]" 1
8 1 4 TYR H 1 4 TYR HB3 2.440 . 3.080 2.571 2.408 2.813 . 0 0 "[ . 1 . 2]" 1
9 1 4 TYR H 1 4 TYR HB2 2.400 . 3.010 2.464 2.275 2.614 . 0 0 "[ . 1 . 2]" 1
10 1 4 TYR H 1 5 ASP H 2.710 . 3.620 2.904 2.843 2.971 . 0 0 "[ . 1 . 2]" 1
11 1 4 TYR HB3 1 5 ASP H 2.660 . 3.520 2.438 2.276 2.677 . 0 0 "[ . 1 . 2]" 1
12 1 4 TYR HB2 1 5 ASP H 2.930 . 4.070 3.788 3.570 3.985 . 0 0 "[ . 1 . 2]" 1
13 1 5 ASP H 1 5 ASP HB3 2.660 . 3.520 3.530 3.055 3.581 0.061 9 0 "[ . 1 . 2]" 1
14 1 5 ASP H 1 5 ASP HB2 2.490 . 3.180 2.327 2.130 2.421 . 0 0 "[ . 1 . 2]" 1
15 1 5 ASP H 1 6 ALA H 2.400 . 3.010 2.720 2.603 2.779 . 0 0 "[ . 1 . 2]" 1
16 1 5 ASP HB3 1 6 ALA H 2.520 . 3.250 3.294 2.824 3.351 0.101 13 0 "[ . 1 . 2]" 1
17 1 5 ASP HB2 1 6 ALA H 2.850 . 3.900 2.557 2.359 3.452 . 0 0 "[ . 1 . 2]" 1
18 1 6 ALA H 1 7 ILE H 2.680 . 3.560 2.782 2.640 2.862 . 0 0 "[ . 1 . 2]" 1
19 1 7 ILE H 1 7 ILE HB 2.350 . 2.910 2.563 2.528 2.607 . 0 0 "[ . 1 . 2]" 1
20 1 7 ILE H 1 8 MET H 2.490 . 3.180 2.678 2.602 2.756 . 0 0 "[ . 1 . 2]" 1
21 1 7 ILE HB 1 8 MET H 2.370 . 2.940 2.582 2.413 2.701 . 0 0 "[ . 1 . 2]" 1
22 1 8 MET H 1 8 MET HA 2.350 . 2.910 2.841 2.810 2.892 . 0 0 "[ . 1 . 2]" 1
23 1 8 MET H 1 9 TYR H 2.370 . 2.940 2.556 2.437 2.631 . 0 0 "[ . 1 . 2]" 1
24 1 8 MET QB 1 9 TYR H 3.100 . 4.400 2.926 2.665 3.225 . 0 0 "[ . 1 . 2]" 1
25 1 9 TYR H 1 9 TYR HA 2.340 . 2.880 2.852 2.812 2.886 0.006 19 0 "[ . 1 . 2]" 1
26 1 9 TYR H 1 9 TYR QB 2.690 . 3.590 2.255 2.174 2.309 . 0 0 "[ . 1 . 2]" 1
27 1 9 TYR H 1 10 LYS H 2.420 . 3.050 2.551 2.377 2.757 . 0 0 "[ . 1 . 2]" 1
28 1 9 TYR QB 1 10 LYS H 3.060 . 4.330 2.606 2.456 2.744 . 0 0 "[ . 1 . 2]" 1
29 1 10 LYS H 1 10 LYS HB2 2.450 . 3.110 2.562 2.263 2.705 . 0 0 "[ . 1 . 2]" 1
30 1 10 LYS H 1 10 LYS HB3 2.490 . 3.180 2.603 2.451 2.861 . 0 0 "[ . 1 . 2]" 1
31 1 10 LYS H 1 11 TYR H 2.390 . 2.980 2.459 2.296 2.622 . 0 0 "[ . 1 . 2]" 1
32 1 10 LYS HA 1 11 TYR H 2.660 . 3.520 3.537 3.489 3.565 0.045 17 0 "[ . 1 . 2]" 1
33 1 10 LYS HB2 1 11 TYR H 3.070 . 4.340 3.802 3.395 3.982 . 0 0 "[ . 1 . 2]" 1
34 1 10 LYS HB3 1 11 TYR H 2.570 . 3.350 2.610 2.313 2.912 . 0 0 "[ . 1 . 2]" 1
35 1 11 TYR H 1 11 TYR HB2 2.470 . 3.150 2.666 2.558 2.741 . 0 0 "[ . 1 . 2]" 1
36 1 11 TYR H 1 11 TYR HB3 2.780 . 3.760 3.779 3.727 3.815 0.055 15 0 "[ . 1 . 2]" 1
37 1 12 PRO HB2 1 13 ASN H 2.710 . 3.620 3.218 2.886 3.667 0.047 16 0 "[ . 1 . 2]" 1
38 1 12 PRO HB3 1 13 ASN H 2.980 . 4.170 4.232 4.143 4.293 0.123 10 0 "[ . 1 . 2]" 1
39 1 13 ASN H 1 13 ASN HB2 2.370 . 2.940 2.401 2.290 2.598 . 0 0 "[ . 1 . 2]" 1
40 1 13 ASN H 1 13 ASN HB3 2.640 . 3.490 3.440 2.484 3.634 0.144 20 0 "[ . 1 . 2]" 1
41 1 13 ASN H 1 14 ALA H 2.250 . 2.710 2.523 2.353 2.618 . 0 0 "[ . 1 . 2]" 1
42 1 13 ASN HB2 1 14 ALA H 2.980 . 4.170 3.847 3.453 4.292 0.122 4 0 "[ . 1 . 2]" 1
43 1 14 ALA H 1 15 VAL H 3.710 . 5.630 4.454 4.184 4.618 . 0 0 "[ . 1 . 2]" 1
44 1 15 VAL H 1 15 VAL HB 2.740 . 3.690 2.604 2.541 2.684 . 0 0 "[ . 1 . 2]" 1
45 1 15 VAL HA 1 16 SER H 2.150 . 2.500 2.160 2.108 2.340 . 0 0 "[ . 1 . 2]" 1
46 1 16 SER H 1 16 SER HB2 2.740 . 3.690 2.948 2.508 3.576 . 0 0 "[ . 1 . 2]" 1
47 1 16 SER HA 1 17 ARG H 2.150 . 2.500 2.324 2.150 2.772 0.272 14 0 "[ . 1 . 2]" 1
48 1 16 SER HB2 1 17 ARG H 3.370 . 4.950 3.707 2.484 4.343 . 0 0 "[ . 1 . 2]" 1
49 1 16 SER HB3 1 17 ARG H 3.370 . 4.950 3.601 2.741 4.572 . 0 0 "[ . 1 . 2]" 1
50 1 17 ARG H 1 17 ARG HA 2.230 . 2.670 2.384 2.217 2.889 0.219 14 0 "[ . 1 . 2]" 1
51 1 17 ARG H 1 17 ARG HB2 2.810 . 3.830 3.308 2.445 3.680 . 0 0 "[ . 1 . 2]" 1
52 1 17 ARG H 1 17 ARG HB3 2.980 . 4.170 4.001 3.641 4.146 . 0 0 "[ . 1 . 2]" 1
53 1 17 ARG H 1 18 LYS H 2.450 . 3.110 2.577 2.207 3.134 0.024 4 0 "[ . 1 . 2]" 1
54 1 17 ARG HB2 1 18 LYS H 3.070 . 4.340 3.546 2.125 4.289 . 0 0 "[ . 1 . 2]" 1
55 1 17 ARG HB3 1 18 LYS H 3.130 . 4.470 4.080 3.061 4.472 0.002 1 0 "[ . 1 . 2]" 1
56 1 18 LYS H 1 18 LYS HA 2.370 . 2.940 2.929 2.882 2.945 0.005 7 0 "[ . 1 . 2]" 1
57 1 18 LYS H 1 18 LYS HB3 2.660 . 3.520 2.819 2.435 3.677 0.157 12 0 "[ . 1 . 2]" 1
58 1 18 LYS H 1 18 LYS HB2 2.660 . 3.520 3.039 2.465 3.399 . 0 0 "[ . 1 . 2]" 1
59 1 18 LYS H 1 19 ASP H 2.200 . 2.600 2.377 1.992 2.640 0.040 7 0 "[ . 1 . 2]" 1
60 1 18 LYS HB3 1 19 ASP H 2.810 . 3.830 2.296 1.923 3.651 . 0 0 "[ . 1 . 2]" 1
61 1 19 ASP H 1 20 PHE H 2.420 . 3.050 2.350 2.103 2.726 . 0 0 "[ . 1 . 2]" 1
62 1 20 PHE HA 1 21 GLU H 2.200 . 2.600 2.215 2.076 2.601 0.001 14 0 "[ . 1 . 2]" 1
63 1 20 PHE HB2 1 21 GLU H 3.020 . 4.240 3.046 2.219 3.536 . 0 0 "[ . 1 . 2]" 1
64 1 20 PHE HB3 1 21 GLU H 3.020 . 4.240 4.113 3.675 4.286 0.046 20 0 "[ . 1 . 2]" 1
65 1 21 GLU H 1 21 GLU HB2 2.680 . 3.560 2.963 2.442 3.326 . 0 0 "[ . 1 . 2]" 1
66 1 21 GLU H 1 21 GLU HB3 2.680 . 3.560 2.859 2.435 3.713 0.153 17 0 "[ . 1 . 2]" 1
67 1 21 GLU H 1 22 LEU H 3.360 . 4.920 4.385 4.270 4.550 . 0 0 "[ . 1 . 2]" 1
68 1 21 GLU HA 1 22 LEU H 2.180 . 2.570 2.190 2.111 2.409 . 0 0 "[ . 1 . 2]" 1
69 1 21 GLU HB2 1 22 LEU H 3.000 . 4.200 4.119 3.714 4.248 0.048 10 0 "[ . 1 . 2]" 1
70 1 21 GLU HB3 1 22 LEU H 3.000 . 4.200 3.829 2.371 4.231 0.031 1 0 "[ . 1 . 2]" 1
71 1 22 LEU H 1 22 LEU HB3 2.950 . 4.100 3.696 3.643 3.763 . 0 0 "[ . 1 . 2]" 1
72 1 22 LEU H 1 22 LEU HB2 2.680 . 3.560 2.630 2.538 2.743 . 0 0 "[ . 1 . 2]" 1
73 1 22 LEU H 1 23 ARG H 3.730 . 5.660 4.512 4.435 4.563 . 0 0 "[ . 1 . 2]" 1
74 1 22 LEU HA 1 23 ARG H 2.220 . 2.640 2.260 2.196 2.323 . 0 0 "[ . 1 . 2]" 1
75 1 22 LEU HB3 1 23 ARG H 2.620 . 3.450 2.726 2.630 2.903 . 0 0 "[ . 1 . 2]" 1
76 1 22 LEU HB2 1 23 ARG H 2.710 . 3.620 3.680 3.642 3.727 0.107 6 0 "[ . 1 . 2]" 1
77 1 23 ARG H 1 24 ASN H 3.320 . 4.850 4.390 4.192 4.484 . 0 0 "[ . 1 . 2]" 1
78 1 23 ARG HA 1 24 ASN H 2.100 . 2.400 2.372 2.166 2.492 0.092 19 0 "[ . 1 . 2]" 1
79 1 23 ARG QB 1 24 ASN H 2.980 . 4.160 2.775 2.017 3.826 . 0 0 "[ . 1 . 2]" 1
80 1 24 ASN H 1 24 ASN HB3 2.540 . 3.280 2.555 2.417 2.700 . 0 0 "[ . 1 . 2]" 1
81 1 24 ASN H 1 24 ASN HB2 2.370 . 2.940 2.769 2.599 3.084 0.144 19 0 "[ . 1 . 2]" 1
82 1 24 ASN H 1 25 ASP H 3.200 . 4.610 4.385 4.174 4.483 . 0 0 "[ . 1 . 2]" 1
83 1 24 ASN HA 1 25 ASP H 2.180 . 2.570 2.126 2.105 2.176 . 0 0 "[ . 1 . 2]" 1
84 1 24 ASN HB3 1 25 ASP H 3.130 . 4.470 4.240 3.955 4.387 . 0 0 "[ . 1 . 2]" 1
85 1 24 ASN HB2 1 25 ASP H 3.130 . 4.470 4.317 4.196 4.474 0.004 20 0 "[ . 1 . 2]" 1
86 1 25 ASP H 1 25 ASP HB2 2.680 . 3.560 2.924 2.575 3.628 0.068 19 0 "[ . 1 . 2]" 1
87 1 25 ASP H 1 25 ASP HB3 2.680 . 3.560 2.418 2.263 2.663 . 0 0 "[ . 1 . 2]" 1
88 1 25 ASP H 1 26 GLY H 2.930 . 4.070 2.265 2.064 2.430 . 0 0 "[ . 1 . 2]" 1
89 1 25 ASP HB2 1 26 GLY H 3.410 . 5.020 4.045 3.793 4.280 . 0 0 "[ . 1 . 2]" 1
90 1 25 ASP HB3 1 26 GLY H 3.410 . 5.020 2.976 2.393 4.053 . 0 0 "[ . 1 . 2]" 1
91 1 26 GLY H 1 27 ASN H 3.000 . 4.200 2.778 2.243 3.420 . 0 0 "[ . 1 . 2]" 1
92 1 27 ASN H 1 27 ASN HB2 2.710 . 3.620 2.617 2.264 2.844 . 0 0 "[ . 1 . 2]" 1
93 1 27 ASN H 1 27 ASN HB3 2.710 . 3.620 2.800 2.396 3.646 0.026 8 0 "[ . 1 . 2]" 1
94 1 27 ASN H 1 28 GLY H 2.400 . 3.010 2.388 2.123 2.936 . 0 0 "[ . 1 . 2]" 1
95 1 27 ASN HA 1 28 GLY H 2.510 . 3.220 3.197 2.829 3.398 0.178 7 0 "[ . 1 . 2]" 1
96 1 27 ASN HB2 1 28 GLY H 3.190 . 4.580 4.127 3.459 4.551 . 0 0 "[ . 1 . 2]" 1
97 1 27 ASN HB3 1 28 GLY H 3.190 . 4.580 3.657 2.949 4.341 . 0 0 "[ . 1 . 2]" 1
98 1 28 GLY H 1 28 GLY HA2 2.320 . 2.840 2.696 2.512 2.852 0.012 5 0 "[ . 1 . 2]" 1
99 1 28 GLY H 1 29 SER H 3.120 . 4.440 4.348 4.198 4.413 . 0 0 "[ . 1 . 2]" 1
100 1 28 GLY HA3 1 29 SER H 2.350 . 2.910 2.563 2.341 2.933 0.023 6 0 "[ . 1 . 2]" 1
101 1 28 GLY HA2 1 29 SER H 2.270 . 2.740 2.559 2.232 2.791 0.051 12 0 "[ . 1 . 2]" 1
102 1 29 SER H 1 29 SER QB 2.790 . 3.790 2.585 2.494 2.910 . 0 0 "[ . 1 . 2]" 1
103 1 29 SER H 1 30 TYR H 3.220 . 4.640 4.390 4.245 4.529 . 0 0 "[ . 1 . 2]" 1
104 1 29 SER HA 1 30 TYR H 2.170 . 2.540 2.176 2.140 2.229 . 0 0 "[ . 1 . 2]" 1
105 1 30 TYR H 1 31 ILE H 3.470 . 5.150 4.407 4.314 4.512 . 0 0 "[ . 1 . 2]" 1
106 1 30 TYR HA 1 31 ILE H 2.280 . 2.770 2.617 2.448 2.775 0.005 15 0 "[ . 1 . 2]" 1
107 1 30 TYR HB2 1 31 ILE H 2.710 . 3.620 2.092 1.807 2.282 . 0 0 "[ . 1 . 2]" 1
108 1 30 TYR HB3 1 31 ILE H 2.710 . 3.620 3.588 3.358 3.728 0.108 7 0 "[ . 1 . 2]" 1
109 1 31 ILE H 1 31 ILE HB 2.390 . 2.980 2.612 2.537 2.677 . 0 0 "[ . 1 . 2]" 1
110 1 31 ILE H 1 32 GLU H 3.680 . 5.560 4.470 4.420 4.549 . 0 0 "[ . 1 . 2]" 1
111 1 31 ILE HA 1 32 GLU H 2.270 . 2.740 2.153 2.103 2.222 . 0 0 "[ . 1 . 2]" 1
112 1 32 GLU H 1 33 LYS H 2.350 . 2.910 2.194 1.804 2.412 . 0 0 "[ . 1 . 2]" 1
113 1 33 LYS H 1 34 TRP H 3.320 . 4.850 4.358 4.099 4.500 . 0 0 "[ . 1 . 2]" 1
114 1 33 LYS HA 1 34 TRP H 2.150 . 2.500 2.181 2.100 2.258 . 0 0 "[ . 1 . 2]" 1
115 1 34 TRP H 1 34 TRP HB2 2.540 . 3.280 3.034 2.654 3.322 0.042 11 0 "[ . 1 . 2]" 1
116 1 34 TRP H 1 34 TRP HB3 2.590 . 3.390 2.732 2.457 3.001 . 0 0 "[ . 1 . 2]" 1
117 1 34 TRP H 1 35 ASN H 3.390 . 4.980 4.100 3.889 4.332 . 0 0 "[ . 1 . 2]" 1
118 1 34 TRP HA 1 35 ASN H 2.170 . 2.540 2.166 2.135 2.212 . 0 0 "[ . 1 . 2]" 1
119 1 34 TRP HB2 1 35 ASN H 3.610 . 5.430 4.461 4.422 4.513 . 0 0 "[ . 1 . 2]" 1
120 1 34 TRP HB3 1 35 ASN H 3.800 . 5.800 4.333 4.240 4.433 . 0 0 "[ . 1 . 2]" 1
121 1 35 ASN H 1 35 ASN HB2 2.520 . 3.250 2.534 2.419 2.645 . 0 0 "[ . 1 . 2]" 1
122 1 35 ASN H 1 35 ASN HB3 2.740 . 3.690 3.585 2.907 3.742 0.052 2 0 "[ . 1 . 2]" 1
123 1 35 ASN H 1 36 LEU H 2.340 . 2.880 2.128 1.964 2.313 . 0 0 "[ . 1 . 2]" 1
124 1 35 ASN HA 1 36 LEU H 2.490 . 3.180 3.210 3.068 3.334 0.154 4 0 "[ . 1 . 2]" 1
125 1 35 ASN HB2 1 36 LEU H 3.190 . 4.580 3.696 3.363 4.223 . 0 0 "[ . 1 . 2]" 1
126 1 35 ASN HB3 1 36 LEU H 3.530 . 5.260 4.146 3.512 4.422 . 0 0 "[ . 1 . 2]" 1
127 1 36 LEU H 1 36 LEU HB2 2.470 . 3.150 2.382 2.299 2.493 . 0 0 "[ . 1 . 2]" 1
128 1 36 LEU H 1 36 LEU HB3 2.730 . 3.660 3.587 3.546 3.654 . 0 0 "[ . 1 . 2]" 1
129 1 36 LEU H 1 37 ARG H 3.710 . 5.630 4.576 4.508 4.613 . 0 0 "[ . 1 . 2]" 1
130 1 36 LEU HA 1 37 ARG H 2.350 . 2.910 2.218 2.121 2.286 . 0 0 "[ . 1 . 2]" 1
131 1 36 LEU HB2 1 37 ARG H 2.950 . 4.100 4.028 3.847 4.169 0.069 20 0 "[ . 1 . 2]" 1
132 1 36 LEU HB3 1 37 ARG H 2.570 . 3.350 2.888 2.649 3.099 . 0 0 "[ . 1 . 2]" 1
133 1 37 ARG H 1 37 ARG HB2 2.450 . 3.110 2.437 2.346 2.578 . 0 0 "[ . 1 . 2]" 1
134 1 37 ARG H 1 37 ARG HB3 2.740 . 3.690 3.614 3.572 3.658 . 0 0 "[ . 1 . 2]" 1
135 1 37 ARG H 1 38 ALA H 2.740 . 3.690 3.238 2.944 3.571 . 0 0 "[ . 1 . 2]" 1
136 1 37 ARG HA 1 38 ALA H 2.230 . 2.670 2.676 2.474 2.788 0.118 17 0 "[ . 1 . 2]" 1
137 1 37 ARG HB2 1 38 ALA H 3.130 . 4.470 4.261 4.121 4.431 . 0 0 "[ . 1 . 2]" 1
138 1 37 ARG HB3 1 38 ALA H 3.130 . 4.470 4.392 4.283 4.448 . 0 0 "[ . 1 . 2]" 1
139 1 39 PRO HA 1 40 LEU H 2.110 . 2.430 2.228 2.150 2.421 . 0 0 "[ . 1 . 2]" 1
140 1 39 PRO HB3 1 40 LEU H 2.790 . 3.790 3.579 3.219 3.804 0.014 12 0 "[ . 1 . 2]" 1
141 1 40 LEU H 1 40 LEU HB3 2.590 . 3.390 3.493 3.458 3.517 0.127 14 0 "[ . 1 . 2]" 1
142 1 40 LEU H 1 40 LEU HB2 2.320 . 2.840 2.210 2.152 2.252 . 0 0 "[ . 1 . 2]" 1
143 1 41 PRO HA 1 42 THR H 2.130 . 2.470 2.363 2.180 2.574 0.104 2 0 "[ . 1 . 2]" 1
144 1 41 PRO HB2 1 42 THR H 2.540 . 3.280 2.735 2.202 3.357 0.077 12 0 "[ . 1 . 2]" 1
145 1 41 PRO HB3 1 42 THR H 2.640 . 3.490 3.397 2.762 3.563 0.073 1 0 "[ . 1 . 2]" 1
146 1 42 THR H 1 42 THR HB 2.930 . 4.070 3.661 3.612 3.722 . 0 0 "[ . 1 . 2]" 1
147 1 42 THR H 1 43 GLN H 3.800 . 5.800 4.548 4.500 4.599 . 0 0 "[ . 1 . 2]" 1
148 1 42 THR HA 1 43 GLN H 2.230 . 2.670 2.424 2.296 2.546 . 0 0 "[ . 1 . 2]" 1
149 1 42 THR HB 1 43 GLN H 2.340 . 2.880 2.362 2.140 2.601 . 0 0 "[ . 1 . 2]" 1
150 1 43 GLN H 1 43 GLN HB3 2.440 . 3.080 2.818 2.541 3.446 0.366 9 0 "[ . 1 . 2]" 1
151 1 43 GLN H 1 43 GLN HB2 2.350 . 2.910 2.289 2.078 2.455 . 0 0 "[ . 1 . 2]" 1
152 1 43 GLN H 1 44 ALA H 2.510 . 3.220 2.748 2.593 2.948 . 0 0 "[ . 1 . 2]" 1
153 1 43 GLN HB3 1 44 ALA H 2.540 . 3.280 2.503 2.183 3.308 0.028 8 0 "[ . 1 . 2]" 1
154 1 43 GLN HB2 1 44 ALA H 2.640 . 3.490 3.448 2.597 3.659 0.169 10 0 "[ . 1 . 2]" 1
155 1 44 ALA H 1 44 ALA HA 2.340 . 2.880 2.785 2.768 2.807 . 0 0 "[ . 1 . 2]" 1
156 1 44 ALA H 1 45 GLU H 2.490 . 3.180 2.823 2.699 2.903 . 0 0 "[ . 1 . 2]" 1
157 1 45 GLU H 1 45 GLU HB3 2.710 . 3.620 3.417 2.807 3.564 . 0 0 "[ . 1 . 2]" 1
158 1 45 GLU H 1 45 GLU HB2 2.370 . 2.940 2.244 2.073 2.354 . 0 0 "[ . 1 . 2]" 1
159 1 45 GLU H 1 46 LEU H 2.490 . 3.180 2.762 2.648 2.853 . 0 0 "[ . 1 . 2]" 1
160 1 45 GLU HB3 1 46 LEU H 2.660 . 3.520 3.124 2.483 3.419 . 0 0 "[ . 1 . 2]" 1
161 1 45 GLU HB2 1 46 LEU H 2.660 . 3.520 2.798 2.485 3.565 0.045 3 0 "[ . 1 . 2]" 1
162 1 46 LEU H 1 46 LEU HB3 2.620 . 3.450 3.559 3.546 3.574 0.124 17 0 "[ . 1 . 2]" 1
163 1 46 LEU H 1 46 LEU HB2 2.400 . 3.010 2.474 2.400 2.570 . 0 0 "[ . 1 . 2]" 1
164 1 46 LEU H 1 47 GLU H 2.470 . 3.150 2.833 2.717 2.942 . 0 0 "[ . 1 . 2]" 1
165 1 46 LEU HB3 1 47 GLU H 2.760 . 3.730 3.463 3.290 3.575 . 0 0 "[ . 1 . 2]" 1
166 1 46 LEU HB2 1 47 GLU H 2.540 . 3.280 2.465 2.364 2.562 . 0 0 "[ . 1 . 2]" 1
167 1 47 GLU H 1 47 GLU HA 2.300 . 2.810 2.833 2.801 2.854 0.044 10 0 "[ . 1 . 2]" 1
168 1 47 GLU H 1 47 GLU QB 2.790 . 3.790 2.377 2.302 2.437 . 0 0 "[ . 1 . 2]" 1
169 1 47 GLU H 1 48 THR H 2.280 . 2.770 2.585 2.465 2.688 . 0 0 "[ . 1 . 2]" 1
170 1 47 GLU QB 1 48 THR H 3.010 . 4.230 2.843 2.540 3.085 . 0 0 "[ . 1 . 2]" 1
171 1 48 THR H 1 48 THR HA 2.340 . 2.880 2.832 2.801 2.862 . 0 0 "[ . 1 . 2]" 1
172 1 48 THR H 1 48 THR HB 2.270 . 2.740 2.559 2.447 2.731 . 0 0 "[ . 1 . 2]" 1
173 1 48 THR H 1 49 TRP H 2.420 . 3.050 2.678 2.551 2.811 . 0 0 "[ . 1 . 2]" 1
174 1 48 THR HB 1 49 TRP H 2.490 . 3.180 2.564 2.395 2.775 . 0 0 "[ . 1 . 2]" 1
175 1 49 TRP H 1 50 TRP H 2.680 . 3.560 2.626 2.512 2.800 . 0 0 "[ . 1 . 2]" 1
176 1 49 TRP QB 1 50 TRP H 2.960 . 4.130 2.557 2.277 2.726 . 0 0 "[ . 1 . 2]" 1
177 1 50 TRP H 1 50 TRP HB2 2.470 . 3.150 2.484 2.251 2.626 . 0 0 "[ . 1 . 2]" 1
178 1 50 TRP H 1 50 TRP HB3 2.470 . 3.150 2.544 2.391 2.770 . 0 0 "[ . 1 . 2]" 1
179 1 50 TRP H 1 51 GLU H 2.490 . 3.180 2.716 2.597 2.814 . 0 0 "[ . 1 . 2]" 1
180 1 50 TRP HB2 1 51 GLU H 2.830 . 3.860 3.796 3.566 3.877 0.017 12 0 "[ . 1 . 2]" 1
181 1 50 TRP HB3 1 51 GLU H 2.830 . 3.860 2.490 2.317 2.650 . 0 0 "[ . 1 . 2]" 1
182 1 51 GLU H 1 51 GLU HB3 2.560 . 3.320 3.298 2.545 3.518 0.198 12 0 "[ . 1 . 2]" 1
183 1 51 GLU H 1 51 GLU HB2 2.350 . 2.910 2.172 2.006 2.343 . 0 0 "[ . 1 . 2]" 1
184 1 51 GLU H 1 52 GLU H 2.490 . 3.180 2.750 2.647 2.860 . 0 0 "[ . 1 . 2]" 1
185 1 52 GLU H 1 52 GLU HA 2.350 . 2.910 2.812 2.787 2.849 . 0 0 "[ . 1 . 2]" 1
186 1 52 GLU H 1 52 GLU HB3 2.690 . 3.590 3.584 3.562 3.608 0.018 13 0 "[ . 1 . 2]" 1
187 1 52 GLU H 1 52 GLU HB2 2.420 . 3.050 2.393 2.305 2.481 . 0 0 "[ . 1 . 2]" 1
188 1 52 GLU H 1 53 LEU H 2.370 . 2.940 2.671 2.526 2.763 . 0 0 "[ . 1 . 2]" 1
189 1 52 GLU HA 1 53 LEU H 2.680 . 3.560 3.524 3.482 3.552 . 0 0 "[ . 1 . 2]" 1
190 1 52 GLU HB3 1 53 LEU H 2.850 . 3.900 3.583 3.341 3.822 . 0 0 "[ . 1 . 2]" 1
191 1 52 GLU HB2 1 53 LEU H 2.560 . 3.320 2.728 2.481 3.016 . 0 0 "[ . 1 . 2]" 1
192 1 53 LEU H 1 53 LEU HB2 2.340 . 2.880 2.530 2.306 2.677 . 0 0 "[ . 1 . 2]" 1
193 1 53 LEU H 1 53 LEU HB3 2.230 . 2.670 2.467 2.334 2.637 . 0 0 "[ . 1 . 2]" 1
194 1 53 LEU H 1 54 GLN H 2.390 . 2.980 2.657 2.471 2.771 . 0 0 "[ . 1 . 2]" 1
195 1 53 LEU HB2 1 54 GLN H 3.050 . 4.300 3.917 3.759 4.078 . 0 0 "[ . 1 . 2]" 1
196 1 53 LEU HB3 1 54 GLN H 2.570 . 3.350 2.664 2.328 3.008 . 0 0 "[ . 1 . 2]" 1
197 1 54 GLN H 1 54 GLN HB2 2.420 . 3.050 2.268 2.113 2.558 . 0 0 "[ . 1 . 2]" 1
198 1 54 GLN H 1 54 GLN HB3 2.590 . 3.390 3.317 2.704 3.578 0.188 20 0 "[ . 1 . 2]" 1
199 1 54 GLN H 1 55 LYS H 2.320 . 2.840 2.474 2.328 2.630 . 0 0 "[ . 1 . 2]" 1
200 1 54 GLN HB3 1 55 LYS H 2.780 . 3.760 3.368 2.777 3.754 . 0 0 "[ . 1 . 2]" 1
201 1 55 LYS H 1 55 LYS HA 2.370 . 2.940 2.895 2.849 2.932 . 0 0 "[ . 1 . 2]" 1
202 1 55 LYS H 1 55 LYS HB2 2.440 . 3.080 2.443 2.251 2.665 . 0 0 "[ . 1 . 2]" 1
203 1 55 LYS H 1 56 ASN H 2.270 . 2.740 2.455 2.284 2.736 . 0 0 "[ . 1 . 2]" 1
204 1 55 LYS HB2 1 56 ASN H 3.120 . 4.440 3.939 3.111 4.437 . 0 0 "[ . 1 . 2]" 1
205 1 55 LYS HB3 1 56 ASN H 2.810 . 3.830 3.618 3.160 3.988 0.158 17 0 "[ . 1 . 2]" 1
206 1 56 ASN H 1 56 ASN HB2 2.740 . 3.690 2.901 2.342 3.613 . 0 0 "[ . 1 . 2]" 1
207 1 56 ASN H 1 56 ASN HB3 2.740 . 3.690 2.998 2.406 3.721 0.031 15 0 "[ . 1 . 2]" 1
208 1 58 PRO HA 1 59 TYR H 2.100 . 2.400 2.282 2.143 2.514 0.114 9 0 "[ . 1 . 2]" 1
209 1 58 PRO HB2 1 59 TYR H 2.660 . 3.520 3.143 2.246 3.579 0.059 12 0 "[ . 1 . 2]" 1
210 1 58 PRO HB3 1 59 TYR H 2.660 . 3.520 3.321 2.869 3.603 0.083 15 0 "[ . 1 . 2]" 1
211 1 59 TYR H 1 59 TYR HB2 2.320 . 2.840 2.601 2.338 2.954 0.114 19 0 "[ . 1 . 2]" 1
212 1 59 TYR H 1 59 TYR HB3 2.320 . 2.840 2.577 2.347 2.775 . 0 0 "[ . 1 . 2]" 1
213 1 59 TYR H 1 60 GLU H 3.610 . 5.430 4.431 3.970 4.579 . 0 0 "[ . 1 . 2]" 1
214 1 59 TYR HB3 1 60 GLU H 3.080 . 4.370 4.171 3.705 4.383 0.013 1 0 "[ . 1 . 2]" 1
215 1 60 GLU H 1 60 GLU HB2 2.660 . 3.520 2.677 2.245 3.598 0.078 17 0 "[ . 1 . 2]" 1
216 1 3 LEU H 1 5 ASP H 3.250 . 4.710 4.592 4.448 4.769 0.059 13 0 "[ . 1 . 2]" 1
217 1 3 LEU HA 1 6 ALA H 2.710 . 3.620 3.579 3.375 3.707 0.087 7 0 "[ . 1 . 2]" 1
218 1 7 ILE HA 1 9 TYR H 3.530 . 5.260 4.108 3.867 4.307 . 0 0 "[ . 1 . 2]" 1
219 1 8 MET HA 1 11 TYR H 3.130 . 4.470 3.536 2.997 3.875 . 0 0 "[ . 1 . 2]" 1
220 1 15 VAL H 1 19 ASP H 3.640 . 5.490 4.276 3.296 5.597 0.107 18 0 "[ . 1 . 2]" 1
221 1 15 VAL H 1 19 ASP QB 3.540 . 5.290 3.339 2.496 4.841 . 0 0 "[ . 1 . 2]" 1
222 1 17 ARG H 1 20 PHE H 3.120 . 4.440 3.640 3.255 4.246 . 0 0 "[ . 1 . 2]" 1
223 1 18 LYS H 1 20 PHE H 2.910 . 4.030 2.981 2.378 3.884 . 0 0 "[ . 1 . 2]" 1
224 1 18 LYS HA 1 20 PHE H 3.580 . 5.360 4.741 4.145 5.361 0.001 2 0 "[ . 1 . 2]" 1
225 1 23 ARG H 1 32 GLU H 2.850 . 3.900 3.793 3.345 4.000 0.100 11 0 "[ . 1 . 2]" 1
226 1 25 ASP H 1 29 SER HA 2.980 . 4.170 3.022 2.381 3.674 . 0 0 "[ . 1 . 2]" 1
227 1 23 ARG H 1 30 TYR H 2.470 . 3.150 2.985 2.774 3.169 0.019 14 0 "[ . 1 . 2]" 1
228 1 24 ASN HA 1 29 SER H 3.460 . 5.120 4.678 4.244 5.105 . 0 0 "[ . 1 . 2]" 1
229 1 21 GLU H 1 33 LYS H 2.510 . 3.220 2.957 2.663 3.245 0.025 5 0 "[ . 1 . 2]" 1
230 1 19 ASP HA 1 35 ASN H 3.420 . 5.050 4.074 3.283 4.699 . 0 0 "[ . 1 . 2]" 1
231 1 34 TRP HA 1 36 LEU H 2.760 . 3.730 3.390 3.275 3.491 . 0 0 "[ . 1 . 2]" 1
232 1 36 LEU HB3 1 38 ALA H 2.590 . 3.390 3.054 2.572 3.430 0.040 1 0 "[ . 1 . 2]" 1
233 1 36 LEU HB2 1 38 ALA H 2.760 . 3.730 3.369 3.122 3.766 0.036 4 0 "[ . 1 . 2]" 1
234 1 42 THR H 1 45 GLU HB2 2.280 . 2.770 2.236 1.906 2.827 0.057 5 0 "[ . 1 . 2]" 1
235 1 42 THR H 1 45 GLU HB3 2.510 . 3.220 3.261 2.596 3.406 0.186 2 0 "[ . 1 . 2]" 1
236 1 42 THR HA 1 44 ALA H 3.510 . 5.220 4.501 4.273 4.785 . 0 0 "[ . 1 . 2]" 1
237 1 42 THR HB 1 44 ALA H 2.520 . 3.250 2.900 2.693 3.208 . 0 0 "[ . 1 . 2]" 1
238 1 42 THR HB 1 45 GLU H 3.170 . 4.540 3.516 3.318 3.804 . 0 0 "[ . 1 . 2]" 1
239 1 43 GLN HA 1 46 LEU H 3.000 . 4.200 3.548 3.295 3.716 . 0 0 "[ . 1 . 2]" 1
240 1 45 GLU HA 1 48 THR H 2.660 . 3.520 3.413 2.981 3.628 0.108 13 0 "[ . 1 . 2]" 1
241 1 46 LEU HA 1 49 TRP H 2.880 . 3.960 3.728 3.508 3.866 . 0 0 "[ . 1 . 2]" 1
242 1 47 GLU HA 1 50 TRP H 2.780 . 3.760 3.297 2.953 3.598 . 0 0 "[ . 1 . 2]" 1
243 1 48 THR HA 1 51 GLU H 2.730 . 3.660 3.354 3.160 3.608 . 0 0 "[ . 1 . 2]" 1
244 1 48 THR HA 1 52 GLU H 3.050 . 4.300 3.962 3.747 4.308 0.008 7 0 "[ . 1 . 2]" 1
245 1 49 TRP HA 1 52 GLU H 3.080 . 4.370 3.383 3.128 3.660 . 0 0 "[ . 1 . 2]" 1
246 1 50 TRP HA 1 53 LEU H 3.170 . 4.540 3.533 3.375 3.766 . 0 0 "[ . 1 . 2]" 1
247 1 52 GLU HA 1 55 LYS H 2.880 . 3.960 3.364 3.065 3.665 . 0 0 "[ . 1 . 2]" 1
248 1 20 PHE HA 1 35 ASN H 2.690 . 3.590 3.108 2.610 3.587 . 0 0 "[ . 1 . 2]" 1
249 1 24 ASN HA 1 30 TYR H 3.100 . 4.410 3.601 3.185 3.968 . 0 0 "[ . 1 . 2]" 1
250 1 43 GLN HA 1 47 GLU H 3.290 . 4.780 4.124 3.882 4.515 . 0 0 "[ . 1 . 2]" 1
251 1 17 ARG HA 1 20 PHE H 3.630 . 5.460 4.903 4.163 5.548 0.088 18 0 "[ . 1 . 2]" 1
252 1 16 SER HA 1 20 PHE H 3.490 . 5.190 3.448 2.858 4.339 . 0 0 "[ . 1 . 2]" 1
253 1 42 THR H 1 45 GLU H 3.030 . 4.270 3.615 3.377 3.835 . 0 0 "[ . 1 . 2]" 1
254 1 42 THR H 1 46 LEU H 2.930 . 4.070 4.040 3.817 4.125 0.055 8 0 "[ . 1 . 2]" 1
255 1 51 GLU HA 1 54 GLN H 2.850 . 3.900 3.441 3.185 3.730 . 0 0 "[ . 1 . 2]" 1
256 1 52 GLU HA 1 56 ASN H 3.800 . 5.800 4.369 3.474 5.063 . 0 0 "[ . 1 . 2]" 1
257 1 11 TYR HB3 1 14 ALA H 2.640 . 3.490 3.298 2.897 3.523 0.033 14 0 "[ . 1 . 2]" 1
258 1 3 LEU H 1 30 TYR HA 2.790 . 3.790 3.595 3.005 3.865 0.075 6 0 "[ . 1 . 2]" 1
259 1 6 ALA HA 1 9 TYR H 2.860 . 3.930 3.618 3.413 3.861 . 0 0 "[ . 1 . 2]" 1
260 1 5 ASP HA 1 8 MET H 2.730 . 3.660 3.668 3.444 3.774 0.114 9 0 "[ . 1 . 2]" 1
261 1 4 TYR HA 1 8 MET H 3.390 . 4.980 4.062 3.749 4.375 . 0 0 "[ . 1 . 2]" 1
262 1 5 ASP HA 1 9 TYR H 3.200 . 4.610 4.279 3.952 4.528 . 0 0 "[ . 1 . 2]" 1
263 1 15 VAL HB 1 19 ASP H 2.950 . 4.100 3.312 2.510 4.020 . 0 0 "[ . 1 . 2]" 1
264 1 7 ILE HA 1 10 LYS H 3.420 . 5.050 3.532 3.325 3.746 . 0 0 "[ . 1 . 2]" 1
265 1 11 TYR HB2 1 14 ALA H 3.250 . 4.710 3.861 3.547 4.198 . 0 0 "[ . 1 . 2]" 1
266 1 16 SER HA 1 18 LYS H 3.250 . 4.710 3.473 3.083 4.739 0.029 12 0 "[ . 1 . 2]" 1
267 1 12 PRO HA 1 14 ALA H 3.590 . 5.390 3.698 3.486 4.031 . 0 0 "[ . 1 . 2]" 1
268 1 21 GLU H 1 34 TRP HA 2.960 . 4.130 3.950 3.677 4.176 0.046 2 0 "[ . 1 . 2]" 1
269 1 22 LEU HA 1 33 LYS H 3.410 . 5.020 4.168 3.700 4.577 . 0 0 "[ . 1 . 2]" 1
270 1 51 GLU HA 1 53 LEU H 3.800 . 5.800 4.402 4.184 4.588 . 0 0 "[ . 1 . 2]" 1
271 1 52 GLU HA 1 54 GLN H 3.470 . 5.150 4.305 3.902 4.695 . 0 0 "[ . 1 . 2]" 1
272 1 50 TRP HA 1 52 GLU H 3.630 . 5.460 4.596 4.433 4.735 . 0 0 "[ . 1 . 2]" 1
273 1 53 LEU HA 1 56 ASN H 3.730 . 5.660 3.773 3.512 4.158 . 0 0 "[ . 1 . 2]" 1
274 1 51 GLU H 1 53 LEU H 3.360 . 4.920 4.095 3.861 4.278 . 0 0 "[ . 1 . 2]" 1
275 1 50 TRP H 1 52 GLU H 3.270 . 4.750 4.186 3.999 4.334 . 0 0 "[ . 1 . 2]" 1
276 1 49 TRP H 1 51 GLU H 3.470 . 5.150 4.139 3.977 4.444 . 0 0 "[ . 1 . 2]" 1
277 1 53 LEU H 1 55 LYS H 3.370 . 4.950 4.032 3.811 4.329 . 0 0 "[ . 1 . 2]" 1
278 1 44 ALA HA 1 47 GLU H 2.850 . 3.900 3.683 3.533 3.829 . 0 0 "[ . 1 . 2]" 1
279 1 3 LEU H 1 3 LEU HG 3.390 . 4.980 4.141 3.958 4.329 . 0 0 "[ . 1 . 2]" 1
280 1 3 LEU HG 1 4 TYR H 3.490 . 5.190 5.233 5.107 5.297 0.107 3 0 "[ . 1 . 2]" 1
281 1 4 TYR QD 1 5 ASP H 4.860 . 7.930 3.400 3.023 3.869 . 0 0 "[ . 1 . 2]" 1
282 1 7 ILE H 1 7 ILE HG12 2.660 . 3.520 3.388 3.331 3.462 . 0 0 "[ . 1 . 2]" 1
283 1 7 ILE H 1 7 ILE HG13 2.470 . 3.150 2.089 1.976 2.148 . 0 0 "[ . 1 . 2]" 1
284 1 7 ILE HG12 1 8 MET H 3.800 . 5.800 4.972 4.902 5.015 . 0 0 "[ . 1 . 2]" 1
285 1 7 ILE HG13 1 8 MET H 2.980 . 4.170 4.187 4.081 4.230 0.060 17 0 "[ . 1 . 2]" 1
286 1 8 MET H 1 8 MET QG 3.460 . 5.120 3.368 2.210 4.052 . 0 0 "[ . 1 . 2]" 1
287 1 9 TYR QD 1 10 LYS H 4.860 . 7.930 3.619 3.200 3.943 . 0 0 "[ . 1 . 2]" 1
288 1 10 LYS H 1 10 LYS HD2 3.580 . 5.360 4.834 4.466 5.101 . 0 0 "[ . 1 . 2]" 1
289 1 10 LYS H 1 10 LYS HD3 3.580 . 5.360 4.969 4.715 5.630 0.270 20 0 "[ . 1 . 2]" 1
290 1 12 PRO HG2 1 13 ASN H 3.800 . 5.800 3.702 2.649 4.256 . 0 0 "[ . 1 . 2]" 1
291 1 12 PRO HD2 1 13 ASN H 3.000 . 4.200 2.517 2.111 2.677 . 0 0 "[ . 1 . 2]" 1
292 1 13 ASN H 1 13 ASN HD21 3.800 . 5.800 3.719 2.557 4.701 . 0 0 "[ . 1 . 2]" 1
293 1 13 ASN HA 1 13 ASN HD21 3.800 . 5.800 3.884 1.827 4.479 . 0 0 "[ . 1 . 2]" 1
294 1 13 ASN HB2 1 13 ASN HD21 2.300 . 2.810 2.316 2.204 2.833 0.023 19 0 "[ . 1 . 2]" 1
295 1 13 ASN HB2 1 13 ASN HD22 2.680 . 3.560 3.515 3.468 3.721 0.161 19 0 "[ . 1 . 2]" 1
296 1 17 ARG H 1 17 ARG HG3 2.850 . 3.900 3.066 2.595 3.918 0.018 15 0 "[ . 1 . 2]" 1
297 1 17 ARG H 1 17 ARG HG2 3.050 . 4.300 3.762 3.413 4.552 0.252 3 0 "[ . 1 . 2]" 1
298 1 17 ARG HG3 1 18 LYS H 3.580 . 5.360 4.736 4.116 5.363 0.003 15 0 "[ . 1 . 2]" 1
299 1 17 ARG HG2 1 18 LYS H 3.580 . 5.360 5.117 4.744 5.308 . 0 0 "[ . 1 . 2]" 1
300 1 18 LYS H 1 18 LYS HG2 3.800 . 5.800 4.475 3.807 5.006 . 0 0 "[ . 1 . 2]" 1
301 1 18 LYS H 1 18 LYS HG3 3.800 . 5.800 4.455 2.497 4.945 . 0 0 "[ . 1 . 2]" 1
302 1 18 LYS HD2 1 19 ASP H 3.800 . 5.800 4.666 2.891 5.392 . 0 0 "[ . 1 . 2]" 1
303 1 18 LYS HD3 1 19 ASP H 3.800 . 5.800 4.416 2.828 5.432 . 0 0 "[ . 1 . 2]" 1
304 1 20 PHE QD 1 21 GLU H 4.860 . 7.930 3.987 3.013 4.617 . 0 0 "[ . 1 . 2]" 1
305 1 21 GLU H 1 21 GLU QG 4.030 . 6.270 3.925 2.707 4.189 . 0 0 "[ . 1 . 2]" 1
306 1 23 ARG H 1 23 ARG HG2 3.610 . 5.430 4.766 2.678 5.034 . 0 0 "[ . 1 . 2]" 1
307 1 23 ARG H 1 23 ARG HG3 3.610 . 5.430 4.416 3.681 4.752 . 0 0 "[ . 1 . 2]" 1
308 1 23 ARG HG2 1 24 ASN H 2.780 . 3.760 3.785 3.158 3.979 0.219 19 0 "[ . 1 . 2]" 1
309 1 23 ARG HG3 1 24 ASN H 2.780 . 3.760 2.859 2.059 3.982 0.222 14 0 "[ . 1 . 2]" 1
310 1 23 ARG QD 1 24 ASN H 4.240 . 6.680 4.083 2.713 5.008 . 0 0 "[ . 1 . 2]" 1
311 1 24 ASN H 1 24 ASN HD22 3.800 . 5.800 5.811 5.600 5.906 0.106 13 0 "[ . 1 . 2]" 1
312 1 24 ASN HB3 1 24 ASN HD22 2.740 . 3.690 3.519 3.460 3.762 0.072 20 0 "[ . 1 . 2]" 1
313 1 24 ASN HB3 1 24 ASN HD21 2.370 . 2.940 2.323 2.180 2.909 . 0 0 "[ . 1 . 2]" 1
314 1 24 ASN HB2 1 24 ASN HD21 2.610 . 3.420 3.044 2.175 3.461 0.041 17 0 "[ . 1 . 2]" 1
315 1 27 ASN HB2 1 27 ASN HD21 2.620 . 3.450 2.774 2.212 3.455 0.005 7 0 "[ . 1 . 2]" 1
316 1 27 ASN HB3 1 27 ASN HD21 2.620 . 3.450 2.668 2.197 3.500 0.050 19 0 "[ . 1 . 2]" 1
317 1 30 TYR H 1 30 TYR QE 4.860 . 7.930 4.000 3.841 4.549 . 0 0 "[ . 1 . 2]" 1
318 1 31 ILE H 1 31 ILE HG12 2.880 . 3.960 3.380 3.076 3.529 . 0 0 "[ . 1 . 2]" 1
319 1 31 ILE H 1 31 ILE HG13 2.780 . 3.760 2.111 1.789 2.303 0.011 4 0 "[ . 1 . 2]" 1
320 1 31 ILE HG13 1 32 GLU H 3.590 . 5.390 5.131 5.067 5.200 . 0 0 "[ . 1 . 2]" 1
321 1 32 GLU QG 1 33 LYS H 3.420 . 5.050 3.318 2.028 4.247 . 0 0 "[ . 1 . 2]" 1
322 1 33 LYS H 1 33 LYS HG3 3.800 . 5.800 4.230 3.086 4.906 . 0 0 "[ . 1 . 2]" 1
323 1 33 LYS H 1 33 LYS HD3 3.800 . 5.800 5.125 3.850 5.976 0.176 1 0 "[ . 1 . 2]" 1
324 1 33 LYS HG2 1 34 TRP H 3.800 . 5.800 4.152 2.379 5.089 . 0 0 "[ . 1 . 2]" 1
325 1 33 LYS HD2 1 34 TRP H 3.800 . 5.800 4.531 3.180 5.832 0.032 5 0 "[ . 1 . 2]" 1
326 1 33 LYS HD3 1 34 TRP H 3.800 . 5.800 4.614 2.313 5.873 0.073 16 0 "[ . 1 . 2]" 1
327 1 35 ASN HB2 1 35 ASN HD21 2.510 . 3.220 2.377 2.188 3.370 0.150 10 0 "[ . 1 . 2]" 1
328 1 35 ASN HB2 1 35 ASN HD22 2.930 . 4.070 3.544 3.459 3.991 . 0 0 "[ . 1 . 2]" 1
329 1 36 LEU H 1 36 LEU HG 2.540 . 3.280 2.640 2.338 2.996 . 0 0 "[ . 1 . 2]" 1
330 1 36 LEU HG 1 37 ARG H 3.540 . 5.290 4.864 4.711 5.061 . 0 0 "[ . 1 . 2]" 1
331 1 37 ARG H 1 37 ARG HG2 3.000 . 4.200 3.653 3.311 3.845 . 0 0 "[ . 1 . 2]" 1
332 1 37 ARG H 1 37 ARG HG3 3.000 . 4.200 2.508 2.324 2.717 . 0 0 "[ . 1 . 2]" 1
333 1 37 ARG HG2 1 38 ALA H 3.800 . 5.800 5.092 4.880 5.268 . 0 0 "[ . 1 . 2]" 1
334 1 37 ARG HG3 1 38 ALA H 3.800 . 5.800 4.976 4.720 5.220 . 0 0 "[ . 1 . 2]" 1
335 1 40 LEU H 1 40 LEU HG 2.960 . 4.130 4.018 3.953 4.138 0.008 10 0 "[ . 1 . 2]" 1
336 1 41 PRO HD3 1 42 THR H 3.630 . 5.460 5.498 5.445 5.674 0.214 12 0 "[ . 1 . 2]" 1
337 1 43 GLN HA 1 43 GLN HE21 3.800 . 5.800 3.332 2.477 4.622 . 0 0 "[ . 1 . 2]" 1
338 1 43 GLN HB3 1 43 GLN HE21 3.800 . 5.800 3.780 1.851 4.523 . 0 0 "[ . 1 . 2]" 1
339 1 43 GLN HA 1 43 GLN HE22 3.800 . 5.800 3.879 3.079 5.820 0.020 2 0 "[ . 1 . 2]" 1
340 1 43 GLN HB3 1 43 GLN HE22 3.800 . 5.800 4.679 3.490 5.346 . 0 0 "[ . 1 . 2]" 1
341 1 43 GLN HG2 1 44 ALA H 3.640 . 5.490 4.604 4.140 5.074 . 0 0 "[ . 1 . 2]" 1
342 1 43 GLN HG3 1 44 ALA H 3.640 . 5.490 4.291 3.421 5.093 . 0 0 "[ . 1 . 2]" 1
343 1 45 GLU H 1 45 GLU HG2 3.020 . 4.240 3.863 2.610 4.428 0.188 3 0 "[ . 1 . 2]" 1
344 1 45 GLU H 1 45 GLU HG3 3.020 . 4.240 2.971 2.426 4.135 . 0 0 "[ . 1 . 2]" 1
345 1 45 GLU HG2 1 46 LEU H 3.800 . 5.800 4.862 4.160 5.041 . 0 0 "[ . 1 . 2]" 1
346 1 45 GLU HG3 1 46 LEU H 3.800 . 5.800 4.702 4.455 5.157 . 0 0 "[ . 1 . 2]" 1
347 1 46 LEU H 1 46 LEU HG 2.400 . 3.010 2.212 2.077 2.352 . 0 0 "[ . 1 . 2]" 1
348 1 46 LEU HG 1 47 GLU H 3.240 . 4.680 4.330 4.222 4.455 . 0 0 "[ . 1 . 2]" 1
349 1 47 GLU H 1 47 GLU HG2 2.780 . 3.760 3.520 3.412 3.622 . 0 0 "[ . 1 . 2]" 1
350 1 47 GLU H 1 47 GLU HG3 2.780 . 3.760 2.413 2.251 2.705 . 0 0 "[ . 1 . 2]" 1
351 1 51 GLU H 1 51 GLU HG3 2.880 . 3.960 3.110 2.290 4.168 0.208 8 0 "[ . 1 . 2]" 1
352 1 52 GLU H 1 52 GLU HG3 2.950 . 4.100 2.434 2.186 2.659 . 0 0 "[ . 1 . 2]" 1
353 1 52 GLU H 1 52 GLU HG2 2.690 . 3.590 3.553 3.413 3.628 0.038 9 0 "[ . 1 . 2]" 1
354 1 53 LEU H 1 53 LEU HG 3.100 . 4.410 4.432 4.362 4.469 0.059 5 0 "[ . 1 . 2]" 1
355 1 53 LEU HG 1 54 GLN H 3.460 . 5.120 3.912 3.344 4.895 . 0 0 "[ . 1 . 2]" 1
356 1 54 GLN H 1 54 GLN QG 3.010 . 4.230 3.241 2.151 4.075 . 0 0 "[ . 1 . 2]" 1
357 1 55 LYS H 1 55 LYS HG2 3.170 . 4.540 4.354 3.707 4.571 0.031 13 0 "[ . 1 . 2]" 1
358 1 55 LYS H 1 55 LYS HG3 3.170 . 4.540 3.978 2.438 4.560 0.020 12 0 "[ . 1 . 2]" 1
359 1 56 ASN HA 1 56 ASN HD21 3.800 . 5.800 4.184 3.756 4.524 . 0 0 "[ . 1 . 2]" 1
360 1 56 ASN HB3 1 56 ASN HD21 2.570 . 3.350 2.345 2.154 2.980 . 0 0 "[ . 1 . 2]" 1
361 1 56 ASN HB2 1 56 ASN HD22 2.830 . 3.860 3.812 3.457 4.011 0.151 1 0 "[ . 1 . 2]" 1
362 1 56 ASN HB3 1 56 ASN HD22 2.830 . 3.860 3.527 3.434 3.807 . 0 0 "[ . 1 . 2]" 1
363 1 59 TYR QD 1 60 GLU H 4.620 . 7.450 3.656 3.015 4.219 . 0 0 "[ . 1 . 2]" 1
364 1 6 ALA H 1 50 TRP HE3 3.200 . 4.610 3.486 2.895 4.420 . 0 0 "[ . 1 . 2]" 1
365 1 11 TYR H 1 12 PRO HD3 3.590 . 5.390 3.638 3.319 4.111 . 0 0 "[ . 1 . 2]" 1
366 1 11 TYR H 1 12 PRO HD2 3.800 . 5.800 4.732 4.370 5.014 . 0 0 "[ . 1 . 2]" 1
367 1 21 GLU H 1 33 LYS QB 3.220 . 4.640 2.345 1.746 3.003 0.054 11 0 "[ . 1 . 2]" 1
368 1 23 ARG H 1 32 GLU QB 3.800 . 5.800 3.518 2.733 4.571 . 0 0 "[ . 1 . 2]" 1
369 1 24 ASN HA 1 24 ASN HD21 3.800 . 5.800 4.180 3.876 4.497 . 0 0 "[ . 1 . 2]" 1
370 1 22 LEU HB3 1 32 GLU H 3.800 . 5.800 4.951 4.467 5.645 . 0 0 "[ . 1 . 2]" 1
371 1 34 TRP HE1 1 40 LEU HA 3.270 . 4.750 4.435 4.017 4.780 0.030 14 0 "[ . 1 . 2]" 1
372 1 34 TRP HE1 1 36 LEU HB3 3.800 . 5.800 4.095 3.572 4.554 . 0 0 "[ . 1 . 2]" 1
373 1 34 TRP HE1 1 36 LEU HB2 2.810 . 3.830 3.116 2.639 3.526 . 0 0 "[ . 1 . 2]" 1
374 1 19 ASP HA 1 35 ASN HD21 3.170 . 4.540 3.297 2.518 4.103 . 0 0 "[ . 1 . 2]" 1
375 1 19 ASP HA 1 35 ASN HD22 3.800 . 5.800 4.729 4.012 5.516 . 0 0 "[ . 1 . 2]" 1
376 1 33 LYS QB 1 35 ASN HD21 4.240 . 6.680 5.166 2.913 6.747 0.067 10 0 "[ . 1 . 2]" 1
377 1 33 LYS QB 1 35 ASN HD22 4.240 . 6.680 4.737 1.830 6.765 0.085 10 0 "[ . 1 . 2]" 1
378 1 38 ALA H 1 39 PRO HD2 3.800 . 5.800 4.879 4.676 5.213 . 0 0 "[ . 1 . 2]" 1
379 1 38 ALA H 1 39 PRO HD3 3.800 . 5.800 4.810 4.375 5.183 . 0 0 "[ . 1 . 2]" 1
380 1 34 TRP HE1 1 38 ALA H 3.300 . 4.810 2.783 2.464 3.129 . 0 0 "[ . 1 . 2]" 1
381 1 10 LYS HE3 1 49 TRP HE1 3.800 . 5.800 4.318 3.101 5.669 . 0 0 "[ . 1 . 2]" 1
382 1 50 TRP HD1 1 51 GLU H 3.020 . 4.240 3.820 3.408 4.245 0.005 10 0 "[ . 1 . 2]" 1
383 1 53 LEU HG 1 54 GLN HE22 3.800 . 5.800 4.233 3.179 5.816 0.016 8 0 "[ . 1 . 2]" 1
384 1 53 LEU HG 1 54 GLN HE21 3.800 . 5.800 4.100 2.317 5.894 0.094 2 0 "[ . 1 . 2]" 1
385 1 56 ASN H 1 57 PRO QD 3.360 . 4.920 3.918 2.889 4.420 . 0 0 "[ . 1 . 2]" 1
386 1 24 ASN HD22 1 28 GLY H 3.800 . 5.800 4.960 3.301 5.755 . 0 0 "[ . 1 . 2]" 1
387 1 56 ASN HD22 1 57 PRO QD 4.140 . 6.480 4.553 2.786 5.763 . 0 0 "[ . 1 . 2]" 1
388 1 10 LYS HE2 1 49 TRP HE1 3.800 . 5.800 4.219 2.629 5.815 0.015 15 0 "[ . 1 . 2]" 1
389 1 10 LYS HD3 1 49 TRP HE1 3.800 . 5.800 3.914 2.224 5.321 . 0 0 "[ . 1 . 2]" 1
390 1 10 LYS HD2 1 49 TRP HE1 3.800 . 5.800 3.991 2.241 5.832 0.032 8 0 "[ . 1 . 2]" 1
391 1 34 TRP HE1 1 40 LEU H 3.270 . 4.750 4.708 4.513 4.790 0.040 18 0 "[ . 1 . 2]" 1
392 1 3 LEU H 1 3 LEU MD1 4.100 . 6.410 3.972 3.680 4.176 . 0 0 "[ . 1 . 2]" 1
393 1 3 LEU H 1 3 LEU MD2 3.930 . 6.070 2.650 2.248 3.083 . 0 0 "[ . 1 . 2]" 1
394 1 3 LEU MD1 1 4 TYR H 4.310 . 6.820 4.542 4.367 4.606 . 0 0 "[ . 1 . 2]" 1
395 1 6 ALA H 1 6 ALA MB 2.610 . 3.420 2.227 2.214 2.241 . 0 0 "[ . 1 . 2]" 1
396 1 6 ALA MB 1 7 ILE H 2.900 . 4.000 2.454 2.355 2.513 . 0 0 "[ . 1 . 2]" 1
397 1 7 ILE H 1 7 ILE MG 3.300 . 4.810 3.777 3.767 3.789 . 0 0 "[ . 1 . 2]" 1
398 1 7 ILE MG 1 8 MET H 3.340 . 4.880 3.433 3.285 3.540 . 0 0 "[ . 1 . 2]" 1
399 1 7 ILE MD 1 8 MET H 4.310 . 6.820 4.518 4.321 4.635 . 0 0 "[ . 1 . 2]" 1
400 1 15 VAL MG2 1 16 SER H 3.590 . 5.390 4.174 4.024 4.378 . 0 0 "[ . 1 . 2]" 1
401 1 22 LEU H 1 22 LEU MD2 3.900 . 6.000 3.392 3.206 3.595 . 0 0 "[ . 1 . 2]" 1
402 1 22 LEU MD2 1 23 ARG H 3.710 . 5.630 3.706 3.511 3.872 . 0 0 "[ . 1 . 2]" 1
403 1 31 ILE H 1 31 ILE MD 3.120 . 4.440 3.582 3.417 3.701 . 0 0 "[ . 1 . 2]" 1
404 1 31 ILE MG 1 32 GLU H 3.420 . 5.050 2.781 2.588 2.962 . 0 0 "[ . 1 . 2]" 1
405 1 36 LEU H 1 36 LEU MD1 3.290 . 4.780 3.712 3.529 3.915 . 0 0 "[ . 1 . 2]" 1
406 1 36 LEU H 1 36 LEU MD2 3.780 . 5.760 3.632 3.256 3.879 . 0 0 "[ . 1 . 2]" 1
407 1 36 LEU MD2 1 37 ARG H 3.490 . 5.190 3.220 3.049 3.489 . 0 0 "[ . 1 . 2]" 1
408 1 42 THR MG 1 43 GLN H 3.120 . 4.440 3.560 3.349 3.727 . 0 0 "[ . 1 . 2]" 1
409 1 44 ALA MB 1 45 GLU H 2.780 . 3.760 2.406 2.340 2.518 . 0 0 "[ . 1 . 2]" 1
410 1 46 LEU H 1 46 LEU MD1 3.510 . 5.220 3.564 3.382 3.643 . 0 0 "[ . 1 . 2]" 1
411 1 46 LEU H 1 46 LEU MD2 3.490 . 5.190 3.264 3.063 3.416 . 0 0 "[ . 1 . 2]" 1
412 1 46 LEU MD1 1 47 GLU H 3.800 . 5.800 4.387 4.207 4.497 . 0 0 "[ . 1 . 2]" 1
413 1 48 THR H 1 48 THR MG 3.240 . 4.680 3.773 3.754 3.788 . 0 0 "[ . 1 . 2]" 1
414 1 53 LEU H 1 53 LEU MD1 3.900 . 6.000 4.128 4.050 4.209 . 0 0 "[ . 1 . 2]" 1
415 1 53 LEU H 1 53 LEU MD2 3.730 . 5.660 4.224 4.174 4.256 . 0 0 "[ . 1 . 2]" 1
416 1 4 TYR H 1 22 LEU MD1 3.640 . 5.490 2.991 2.295 3.771 . 0 0 "[ . 1 . 2]" 1
417 1 2 ILE MG 1 4 TYR H 3.130 . 4.470 2.085 1.740 2.406 0.050 11 0 "[ . 1 . 2]" 1
418 1 2 ILE MG 1 5 ASP H 2.860 . 3.930 2.254 1.818 2.951 . 0 0 "[ . 1 . 2]" 1
419 1 3 LEU MD2 1 6 ALA H 4.020 . 6.240 5.331 5.019 5.653 . 0 0 "[ . 1 . 2]" 1
420 1 6 ALA H 1 53 LEU MD2 3.800 . 5.800 4.204 3.252 5.673 . 0 0 "[ . 1 . 2]" 1
421 1 9 TYR H 1 53 LEU MD1 3.700 . 5.600 4.663 3.579 5.616 0.016 20 0 "[ . 1 . 2]" 1
422 1 7 ILE MG 1 14 ALA H 4.310 . 6.820 4.968 4.428 5.713 . 0 0 "[ . 1 . 2]" 1
423 1 15 VAL MG1 1 17 ARG H 4.310 . 6.820 4.320 1.817 4.991 . 0 0 "[ . 1 . 2]" 1
424 1 15 VAL MG1 1 19 ASP H 3.540 . 5.290 3.808 2.682 4.586 . 0 0 "[ . 1 . 2]" 1
425 1 21 GLU H 1 31 ILE MG 4.120 . 6.440 3.681 2.886 4.364 . 0 0 "[ . 1 . 2]" 1
426 1 21 GLU H 1 22 LEU MD2 4.310 . 6.820 4.233 3.486 4.916 . 0 0 "[ . 1 . 2]" 1
427 1 34 TRP HE1 1 38 ALA MB 3.300 . 4.810 3.374 2.934 3.725 . 0 0 "[ . 1 . 2]" 1
428 1 34 TRP HE1 1 40 LEU MD1 4.020 . 6.240 3.810 3.100 4.265 . 0 0 "[ . 1 . 2]" 1
429 1 34 TRP H 1 40 LEU MD1 4.310 . 6.820 5.563 4.875 6.244 . 0 0 "[ . 1 . 2]" 1
430 1 36 LEU MD1 1 38 ALA H 4.310 . 6.820 4.669 4.395 5.005 . 0 0 "[ . 1 . 2]" 1
431 1 1 MET ME 1 43 GLN HE21 3.460 . 5.120 4.379 2.986 5.182 0.062 13 0 "[ . 1 . 2]" 1
432 1 43 GLN HE22 1 46 LEU MD1 4.260 . 6.720 4.008 2.519 6.746 0.026 2 0 "[ . 1 . 2]" 1
433 1 43 GLN H 1 46 LEU MD1 4.310 . 6.820 4.134 3.865 4.396 . 0 0 "[ . 1 . 2]" 1
434 1 43 GLN HE21 1 46 LEU MD1 4.260 . 6.720 4.149 2.977 5.772 . 0 0 "[ . 1 . 2]" 1
435 1 6 ALA MB 1 50 TRP H 3.250 . 4.710 3.460 2.937 4.092 . 0 0 "[ . 1 . 2]" 1
436 1 48 THR MG 1 49 TRP HE1 3.470 . 5.150 4.454 3.723 5.170 0.020 17 0 "[ . 1 . 2]" 1
437 1 53 LEU MD2 1 54 GLN HE22 3.830 . 5.870 3.669 1.990 5.268 . 0 0 "[ . 1 . 2]" 1
438 1 11 TYR H 1 14 ALA MB 4.310 . 6.820 4.347 3.775 4.742 . 0 0 "[ . 1 . 2]" 1
439 1 22 LEU MD2 1 31 ILE H 4.120 . 6.450 3.771 3.042 4.641 . 0 0 "[ . 1 . 2]" 1
440 1 3 LEU HA 1 3 LEU HB2 2.370 . 2.940 2.907 2.826 2.967 0.027 6 0 "[ . 1 . 2]" 1
441 1 5 ASP HA 1 5 ASP HB3 2.300 . 2.810 2.581 2.512 2.920 0.110 16 0 "[ . 1 . 2]" 1
442 1 4 TYR HA 1 7 ILE HB 3.470 . 5.150 3.119 2.749 3.513 . 0 0 "[ . 1 . 2]" 1
443 1 13 ASN HA 1 13 ASN HB2 2.400 . 3.010 2.936 2.475 3.025 0.015 18 0 "[ . 1 . 2]" 1
444 1 13 ASN HA 1 13 ASN HB3 2.320 . 2.840 2.613 2.452 3.008 0.168 10 0 "[ . 1 . 2]" 1
445 1 13 ASN HB3 1 14 ALA H 3.240 . 4.680 4.160 3.247 4.380 . 0 0 "[ . 1 . 2]" 1
446 1 14 ALA HA 1 15 VAL H 2.230 . 2.670 2.188 2.132 2.278 . 0 0 "[ . 1 . 2]" 1
447 1 16 SER H 1 16 SER HB3 2.740 . 3.690 3.214 2.551 3.645 . 0 0 "[ . 1 . 2]" 1
448 1 18 LYS HB2 1 19 ASP H 2.810 . 3.830 3.418 1.917 3.841 0.011 19 0 "[ . 1 . 2]" 1
449 1 24 ASN HA 1 24 ASN HB2 2.400 . 3.010 2.480 2.395 2.574 . 0 0 "[ . 1 . 2]" 1
450 1 31 ILE HB 1 32 GLU H 3.120 . 4.440 4.162 4.018 4.267 . 0 0 "[ . 1 . 2]" 1
451 1 34 TRP HA 1 34 TRP HB2 2.340 . 2.880 2.507 2.452 2.557 . 0 0 "[ . 1 . 2]" 1
452 1 37 ARG HA 1 37 ARG HB3 2.400 . 3.010 2.491 2.418 2.543 . 0 0 "[ . 1 . 2]" 1
453 1 39 PRO HB2 1 40 LEU H 2.760 . 3.730 3.236 2.527 3.668 . 0 0 "[ . 1 . 2]" 1
454 1 42 THR HA 1 42 THR HB 2.280 . 2.770 2.509 2.443 2.577 . 0 0 "[ . 1 . 2]" 1
455 1 43 GLN HA 1 43 GLN HB2 2.270 . 2.740 2.609 2.474 2.959 0.219 9 0 "[ . 1 . 2]" 1
456 1 43 GLN HA 1 46 LEU HB3 3.120 . 4.440 4.280 4.002 4.468 0.028 20 0 "[ . 1 . 2]" 1
457 1 44 ALA HA 1 47 GLU QB 3.220 . 4.640 3.030 2.696 3.255 . 0 0 "[ . 1 . 2]" 1
458 1 45 GLU HA 1 45 GLU HB3 2.400 . 3.010 2.692 2.567 2.993 . 0 0 "[ . 1 . 2]" 1
459 1 43 GLN HA 1 46 LEU HB2 2.690 . 3.590 2.743 2.494 2.926 . 0 0 "[ . 1 . 2]" 1
460 1 47 GLU HA 1 50 TRP HB3 2.830 . 3.860 2.489 2.077 3.133 . 0 0 "[ . 1 . 2]" 1
461 1 45 GLU HA 1 48 THR HB 2.660 . 3.520 2.678 2.265 3.062 . 0 0 "[ . 1 . 2]" 1
462 1 46 LEU HA 1 49 TRP QB 3.980 . 6.170 3.339 3.001 3.643 . 0 0 "[ . 1 . 2]" 1
463 1 47 GLU HA 1 50 TRP HB2 2.830 . 3.860 3.102 2.393 3.562 . 0 0 "[ . 1 . 2]" 1
464 1 51 GLU HA 1 51 GLU HB3 2.370 . 2.940 2.722 2.528 3.000 0.060 8 0 "[ . 1 . 2]" 1
465 1 48 THR HA 1 51 GLU HB3 2.760 . 3.730 3.697 3.002 3.877 0.147 20 0 "[ . 1 . 2]" 1
466 1 51 GLU HB3 1 52 GLU H 2.710 . 3.620 3.051 2.442 3.525 . 0 0 "[ . 1 . 2]" 1
467 1 48 THR HA 1 51 GLU HB2 2.610 . 3.420 2.552 2.215 3.456 0.036 8 0 "[ . 1 . 2]" 1
468 1 51 GLU HB2 1 52 GLU H 2.880 . 3.960 2.913 2.470 3.726 . 0 0 "[ . 1 . 2]" 1
469 1 49 TRP HA 1 52 GLU HB3 3.100 . 4.410 4.248 3.868 4.464 0.054 3 0 "[ . 1 . 2]" 1
470 1 49 TRP HA 1 52 GLU HB2 2.810 . 3.830 2.609 2.286 2.847 . 0 0 "[ . 1 . 2]" 1
471 1 50 TRP HA 1 53 LEU HB2 3.750 . 5.700 3.500 2.954 3.939 . 0 0 "[ . 1 . 2]" 1
472 1 50 TRP HA 1 53 LEU HB3 2.790 . 3.790 2.685 2.349 3.082 . 0 0 "[ . 1 . 2]" 1
473 1 54 GLN HA 1 54 GLN HB2 2.390 . 2.980 2.888 2.573 3.021 0.041 20 0 "[ . 1 . 2]" 1
474 1 54 GLN HA 1 54 GLN HB3 2.350 . 2.910 2.705 2.435 3.001 0.091 12 0 "[ . 1 . 2]" 1
475 1 54 GLN HB2 1 55 LYS H 2.790 . 3.790 3.130 2.621 3.769 . 0 0 "[ . 1 . 2]" 1
476 1 55 LYS HA 1 55 LYS HB2 2.370 . 2.940 2.674 2.490 3.002 0.062 14 0 "[ . 1 . 2]" 1
477 1 55 LYS HA 1 56 ASN H 2.490 . 3.180 3.260 2.905 3.360 0.180 6 0 "[ . 1 . 2]" 1
478 1 55 LYS H 1 55 LYS HB3 2.730 . 3.660 2.904 2.513 3.606 . 0 0 "[ . 1 . 2]" 1
479 1 59 TYR HA 1 60 GLU H 2.130 . 2.470 2.159 2.102 2.272 . 0 0 "[ . 1 . 2]" 1
480 1 59 TYR HB2 1 60 GLU H 3.080 . 4.370 4.308 4.000 4.506 0.136 1 0 "[ . 1 . 2]" 1
481 1 60 GLU H 1 60 GLU HB3 2.660 . 3.520 2.816 2.376 3.588 0.068 12 0 "[ . 1 . 2]" 1
482 1 2 ILE HA 1 5 ASP H 3.540 . 5.290 4.875 4.568 5.108 . 0 0 "[ . 1 . 2]" 1
483 1 22 LEU HA 1 32 GLU H 2.620 . 3.450 2.718 2.250 3.357 . 0 0 "[ . 1 . 2]" 1
484 1 22 LEU HA 1 31 ILE HA 2.610 . 3.420 2.703 2.263 3.055 . 0 0 "[ . 1 . 2]" 1
485 1 31 ILE HA 1 33 LYS H 2.950 . 4.100 4.028 3.569 4.187 0.087 9 0 "[ . 1 . 2]" 1
486 1 51 GLU HA 1 55 LYS H 2.910 . 4.030 4.060 3.888 4.165 0.135 10 0 "[ . 1 . 2]" 1
487 1 24 ASN HA 1 29 SER HA 2.780 . 3.760 2.293 1.909 2.636 . 0 0 "[ . 1 . 2]" 1
488 1 16 SER HA 1 17 ARG HA 3.580 . 5.360 4.417 4.337 4.522 . 0 0 "[ . 1 . 2]" 1
489 1 51 GLU HA 1 54 GLN HB2 2.810 . 3.830 2.925 2.406 3.493 . 0 0 "[ . 1 . 2]" 1
490 1 51 GLU HA 1 54 GLN HB3 3.130 . 4.470 3.975 2.621 4.517 0.047 18 0 "[ . 1 . 2]" 1
491 1 52 GLU HA 1 55 LYS HB3 3.530 . 5.260 3.253 2.445 4.702 . 0 0 "[ . 1 . 2]" 1
492 1 5 ASP HA 1 8 MET QB 2.980 . 4.160 2.909 2.563 3.392 . 0 0 "[ . 1 . 2]" 1
493 1 6 ALA HA 1 9 TYR QB 3.490 . 5.180 2.766 2.458 3.004 . 0 0 "[ . 1 . 2]" 1
494 1 7 ILE HA 1 10 LYS HB3 2.950 . 4.100 3.393 2.797 3.846 . 0 0 "[ . 1 . 2]" 1
495 1 4 TYR HA 1 7 ILE H 3.800 . 5.800 3.816 3.618 4.017 . 0 0 "[ . 1 . 2]" 1
496 1 20 PHE HA 1 34 TRP HA 2.610 . 3.420 2.829 2.425 3.134 . 0 0 "[ . 1 . 2]" 1
497 1 23 ARG H 1 31 ILE HA 3.020 . 4.240 3.949 3.642 4.271 0.031 20 0 "[ . 1 . 2]" 1
498 1 52 GLU HA 1 55 LYS HB2 3.800 . 5.800 3.459 2.232 4.226 . 0 0 "[ . 1 . 2]" 1
499 1 7 ILE HA 1 7 ILE HG12 2.730 . 3.660 2.566 2.538 2.633 . 0 0 "[ . 1 . 2]" 1
500 1 10 LYS HA 1 10 LYS HD2 3.590 . 5.390 3.323 1.902 4.455 . 0 0 "[ . 1 . 2]" 1
501 1 10 LYS HB3 1 10 LYS HD2 2.740 . 3.690 3.162 2.124 3.769 0.079 5 0 "[ . 1 . 2]" 1
502 1 10 LYS HB3 1 10 LYS HD3 2.740 . 3.690 3.120 2.452 3.713 0.023 11 0 "[ . 1 . 2]" 1
503 1 17 ARG HA 1 17 ARG HG3 2.900 . 4.000 2.975 2.311 3.185 . 0 0 "[ . 1 . 2]" 1
504 1 17 ARG HA 1 17 ARG HG2 2.620 . 3.450 2.502 2.357 2.709 . 0 0 "[ . 1 . 2]" 1
505 1 17 ARG HB2 1 17 ARG HG3 2.220 . 2.640 2.434 2.357 2.496 . 0 0 "[ . 1 . 2]" 1
506 1 17 ARG HB3 1 17 ARG HG2 2.220 . 2.640 2.450 2.392 2.522 . 0 0 "[ . 1 . 2]" 1
507 1 17 ARG H 1 17 ARG QD 4.140 . 6.480 4.703 3.973 5.274 . 0 0 "[ . 1 . 2]" 1
508 1 18 LYS HA 1 18 LYS HD2 3.460 . 5.120 3.840 2.049 4.704 . 0 0 "[ . 1 . 2]" 1
509 1 18 LYS HA 1 18 LYS HD3 3.460 . 5.120 4.183 2.801 4.852 . 0 0 "[ . 1 . 2]" 1
510 1 18 LYS HA 1 18 LYS HG2 2.860 . 3.930 3.219 2.336 3.849 . 0 0 "[ . 1 . 2]" 1
511 1 18 LYS HG2 1 19 ASP H 3.800 . 5.800 3.664 2.782 5.166 . 0 0 "[ . 1 . 2]" 1
512 1 18 LYS HA 1 18 LYS HG3 2.860 . 3.930 2.839 2.407 3.633 . 0 0 "[ . 1 . 2]" 1
513 1 18 LYS HG3 1 19 ASP H 3.800 . 5.800 4.041 2.651 4.964 . 0 0 "[ . 1 . 2]" 1
514 1 18 LYS HB3 1 18 LYS QE 4.240 . 6.680 4.066 2.880 4.542 . 0 0 "[ . 1 . 2]" 1
515 1 18 LYS HB2 1 18 LYS QE 4.240 . 6.680 3.969 2.103 4.258 . 0 0 "[ . 1 . 2]" 1
516 1 21 GLU QG 1 22 LEU H 3.370 . 4.950 2.803 2.149 4.134 . 0 0 "[ . 1 . 2]" 1
517 1 22 LEU H 1 22 LEU HG 2.760 . 3.730 2.484 2.310 2.756 . 0 0 "[ . 1 . 2]" 1
518 1 23 ARG HA 1 23 ARG QD 3.370 . 4.950 2.839 1.886 4.512 . 0 0 "[ . 1 . 2]" 1
519 1 27 ASN HA 1 27 ASN HD21 3.800 . 5.800 3.855 1.755 4.492 0.045 19 0 "[ . 1 . 2]" 1
520 1 31 ILE HA 1 31 ILE HG12 2.620 . 3.450 2.648 2.540 2.741 . 0 0 "[ . 1 . 2]" 1
521 1 32 GLU H 1 32 GLU QG 3.780 . 5.760 3.704 2.041 4.211 . 0 0 "[ . 1 . 2]" 1
522 1 33 LYS H 1 33 LYS HG2 3.800 . 5.800 4.146 2.505 4.896 . 0 0 "[ . 1 . 2]" 1
523 1 33 LYS HD2 1 33 LYS HG2 2.340 . 2.880 2.676 2.275 2.999 0.119 6 0 "[ . 1 . 2]" 1
524 1 33 LYS HD3 1 33 LYS HG2 2.340 . 2.880 2.477 2.257 2.996 0.116 10 0 "[ . 1 . 2]" 1
525 1 33 LYS HE2 1 33 LYS HG2 2.950 . 4.100 3.466 2.312 4.187 0.087 5 0 "[ . 1 . 2]" 1
526 1 33 LYS HD2 1 33 LYS HG3 2.340 . 2.880 2.700 2.261 3.002 0.122 18 0 "[ . 1 . 2]" 1
527 1 33 LYS H 1 33 LYS HD2 3.800 . 5.800 5.037 3.200 6.014 0.214 9 0 "[ . 1 . 2]" 1
528 1 33 LYS HD3 1 33 LYS HG3 2.340 . 2.880 2.679 2.285 3.000 0.120 6 0 "[ . 1 . 2]" 1
529 1 33 LYS HE2 1 33 LYS HG3 2.950 . 4.100 3.102 2.404 4.212 0.112 10 0 "[ . 1 . 2]" 1
530 1 33 LYS HE3 1 33 LYS HG2 2.950 . 4.100 3.557 2.611 4.208 0.108 12 0 "[ . 1 . 2]" 1
531 1 33 LYS HE3 1 33 LYS HG3 2.950 . 4.100 3.199 2.284 4.193 0.093 15 0 "[ . 1 . 2]" 1
532 1 34 TRP HA 1 34 TRP HD1 3.170 . 4.540 4.341 4.112 4.561 0.021 10 0 "[ . 1 . 2]" 1
533 1 36 LEU HA 1 36 LEU HG 2.690 . 3.590 2.966 2.784 3.166 . 0 0 "[ . 1 . 2]" 1
534 1 36 LEU HB3 1 36 LEU HG 2.370 . 2.940 3.009 3.004 3.013 0.073 15 0 "[ . 1 . 2]" 1
535 1 37 ARG HA 1 37 ARG HG3 2.620 . 3.450 3.063 2.799 3.308 . 0 0 "[ . 1 . 2]" 1
536 1 37 ARG HA 1 37 ARG HG2 2.620 . 3.450 2.557 2.398 2.684 . 0 0 "[ . 1 . 2]" 1
537 1 37 ARG HA 1 37 ARG QD 3.690 . 5.590 4.081 3.938 4.246 . 0 0 "[ . 1 . 2]" 1
538 1 38 ALA HA 1 39 PRO HD2 2.220 . 2.640 2.383 2.081 2.695 0.055 20 0 "[ . 1 . 2]" 1
539 1 38 ALA HA 1 39 PRO HD3 2.220 . 2.640 2.280 1.840 2.538 . 0 0 "[ . 1 . 2]" 1
540 1 40 LEU HA 1 41 PRO HD2 2.730 . 3.660 2.085 1.874 2.882 . 0 0 "[ . 1 . 2]" 1
541 1 40 LEU HA 1 41 PRO HD3 2.420 . 3.050 2.343 1.770 2.472 0.020 13 0 "[ . 1 . 2]" 1
542 1 43 GLN H 1 43 GLN HG2 3.320 . 4.850 4.185 2.603 4.588 . 0 0 "[ . 1 . 2]" 1
543 1 43 GLN H 1 43 GLN HG3 3.320 . 4.850 4.393 3.811 4.549 . 0 0 "[ . 1 . 2]" 1
544 1 45 GLU HA 1 45 GLU HG2 2.420 . 3.050 2.467 2.247 2.684 . 0 0 "[ . 1 . 2]" 1
545 1 45 GLU HA 1 45 GLU HG3 2.420 . 3.050 2.784 2.452 3.538 0.488 13 0 "[ . 1 . 2]" 1
546 1 47 GLU HA 1 47 GLU HG2 2.390 . 2.980 2.418 2.261 2.549 . 0 0 "[ . 1 . 2]" 1
547 1 47 GLU HG2 1 48 THR H 3.800 . 5.800 5.080 4.980 5.166 . 0 0 "[ . 1 . 2]" 1
548 1 47 GLU HA 1 47 GLU HG3 2.390 . 2.980 3.034 2.984 3.069 0.089 11 0 "[ . 1 . 2]" 1
549 1 47 GLU HG3 1 48 THR H 3.800 . 5.800 4.513 4.329 4.702 . 0 0 "[ . 1 . 2]" 1
550 1 51 GLU H 1 51 GLU HG2 2.850 . 3.900 3.834 3.372 4.349 0.449 5 0 "[ . 1 . 2]" 1
551 1 51 GLU HA 1 51 GLU HG2 2.280 . 2.770 2.394 2.203 2.841 0.071 8 0 "[ . 1 . 2]" 1
552 1 51 GLU HB3 1 51 GLU HG2 2.250 . 2.710 2.532 2.410 2.961 0.251 16 0 "[ . 1 . 2]" 1
553 1 51 GLU HG2 1 52 GLU H 3.510 . 5.220 4.803 3.833 5.075 . 0 0 "[ . 1 . 2]" 1
554 1 51 GLU HA 1 51 GLU HG3 2.540 . 3.280 2.866 2.432 3.500 0.220 10 0 "[ . 1 . 2]" 1
555 1 51 GLU HB2 1 51 GLU HG3 2.250 . 2.710 2.375 2.280 2.465 . 0 0 "[ . 1 . 2]" 1
556 1 51 GLU HG3 1 52 GLU H 3.800 . 5.800 4.744 4.394 5.033 . 0 0 "[ . 1 . 2]" 1
557 1 52 GLU HA 1 52 GLU HG3 2.370 . 2.940 2.996 2.928 3.033 0.093 1 0 "[ . 1 . 2]" 1
558 1 52 GLU HB2 1 52 GLU HG3 2.170 . 2.540 2.411 2.356 2.449 . 0 0 "[ . 1 . 2]" 1
559 1 52 GLU HA 1 52 GLU HG2 2.610 . 3.420 2.417 2.287 2.505 . 0 0 "[ . 1 . 2]" 1
560 1 52 GLU HB3 1 52 GLU HG2 2.180 . 2.570 2.468 2.429 2.533 . 0 0 "[ . 1 . 2]" 1
561 1 52 GLU HG2 1 53 LEU H 3.800 . 5.800 5.023 4.925 5.091 . 0 0 "[ . 1 . 2]" 1
562 1 53 LEU HA 1 53 LEU HG 3.020 . 4.240 3.040 2.456 3.294 . 0 0 "[ . 1 . 2]" 1
563 1 54 GLN HA 1 54 GLN HE22 3.590 . 5.390 3.544 3.101 4.212 . 0 0 "[ . 1 . 2]" 1
564 1 54 GLN QG 1 55 LYS H 3.540 . 5.290 4.324 3.909 4.797 . 0 0 "[ . 1 . 2]" 1
565 1 55 LYS HA 1 55 LYS HG2 2.320 . 2.840 2.790 2.460 2.999 0.159 16 0 "[ . 1 . 2]" 1
566 1 55 LYS HB3 1 55 LYS HG2 2.250 . 2.710 2.446 2.353 2.561 . 0 0 "[ . 1 . 2]" 1
567 1 55 LYS HA 1 55 LYS HG3 2.420 . 3.050 2.591 2.270 2.984 . 0 0 "[ . 1 . 2]" 1
568 1 55 LYS HB2 1 55 LYS HG3 2.250 . 2.710 2.435 2.334 2.519 . 0 0 "[ . 1 . 2]" 1
569 1 55 LYS HA 1 55 LYS HD2 3.170 . 4.540 4.431 4.211 4.612 0.072 5 0 "[ . 1 . 2]" 1
570 1 55 LYS HA 1 55 LYS HD3 3.170 . 4.540 4.545 4.326 4.697 0.157 16 0 "[ . 1 . 2]" 1
571 1 55 LYS HA 1 55 LYS QE 4.240 . 6.680 4.592 4.322 4.917 . 0 0 "[ . 1 . 2]" 1
572 1 55 LYS HB2 1 55 LYS QE 4.240 . 6.680 3.942 3.423 4.184 . 0 0 "[ . 1 . 2]" 1
573 1 55 LYS HB3 1 55 LYS QE 4.240 . 6.680 4.022 3.889 4.206 . 0 0 "[ . 1 . 2]" 1
574 1 56 ASN HB2 1 56 ASN HD21 2.570 . 3.350 2.984 2.172 3.424 0.074 1 0 "[ . 1 . 2]" 1
575 1 57 PRO HA 1 58 PRO HD2 2.510 . 3.220 2.439 1.976 3.045 . 0 0 "[ . 1 . 2]" 1
576 1 57 PRO HA 1 58 PRO HD3 2.510 . 3.220 2.165 1.796 2.636 0.004 7 0 "[ . 1 . 2]" 1
577 1 60 GLU H 1 60 GLU QG 3.180 . 4.570 3.408 1.842 4.079 . 0 0 "[ . 1 . 2]" 1
578 1 60 GLU HA 1 60 GLU QG 2.860 . 3.930 2.604 2.408 3.319 . 0 0 "[ . 1 . 2]" 1
579 1 2 ILE HB 1 50 TRP HH2 3.030 . 4.270 3.370 2.332 4.278 0.008 18 0 "[ . 1 . 2]" 1
580 1 12 PRO HG3 1 13 ASN H 3.800 . 5.800 4.413 4.052 4.619 . 0 0 "[ . 1 . 2]" 1
581 1 17 ARG HA 1 21 GLU QG 3.420 . 5.050 3.106 1.899 4.829 . 0 0 "[ . 1 . 2]" 1
582 1 17 ARG QD 1 21 GLU QG 4.680 . 7.560 5.082 3.687 7.469 . 0 0 "[ . 1 . 2]" 1
583 1 23 ARG QB 1 32 GLU QB 4.630 . 7.460 2.266 1.709 3.561 0.091 2 0 "[ . 1 . 2]" 1
584 1 23 ARG QD 1 32 GLU QB 3.960 . 6.130 2.834 1.799 5.648 . 0 0 "[ . 1 . 2]" 1
585 1 23 ARG QB 1 32 GLU QG 4.370 . 6.950 3.145 1.813 3.927 . 0 0 "[ . 1 . 2]" 1
586 1 22 LEU HB3 1 32 GLU QB 4.240 . 6.680 5.513 4.810 6.539 . 0 0 "[ . 1 . 2]" 1
587 1 19 ASP HA 1 35 ASN HB2 2.590 . 3.390 2.664 1.762 3.411 0.028 2 0 "[ . 1 . 2]" 1
588 1 19 ASP HA 1 35 ASN HB3 3.030 . 4.270 3.577 1.976 4.347 0.077 19 0 "[ . 1 . 2]" 1
589 1 19 ASP QB 1 36 LEU HG 3.300 . 4.810 2.657 1.771 3.980 0.019 16 0 "[ . 1 . 2]" 1
590 1 45 GLU HB3 1 49 TRP HZ2 3.460 . 5.120 3.317 2.492 4.656 . 0 0 "[ . 1 . 2]" 1
591 1 48 THR HA 1 51 GLU HG2 3.800 . 5.800 5.003 4.364 5.772 . 0 0 "[ . 1 . 2]" 1
592 1 48 THR HA 1 51 GLU HG3 3.800 . 5.800 4.081 3.005 5.658 . 0 0 "[ . 1 . 2]" 1
593 1 16 SER HB2 1 20 PHE HZ 3.800 . 5.800 4.500 2.797 5.570 . 0 0 "[ . 1 . 2]" 1
594 1 10 LYS HA 1 10 LYS HD3 3.590 . 5.390 3.692 2.565 4.709 . 0 0 "[ . 1 . 2]" 1
595 1 23 ARG QD 1 32 GLU QG 4.680 . 7.560 3.082 1.780 5.205 0.020 14 0 "[ . 1 . 2]" 1
596 1 33 LYS HG3 1 34 TRP H 3.800 . 5.800 4.121 2.593 5.554 . 0 0 "[ . 1 . 2]" 1
597 1 37 ARG H 1 37 ARG QD 4.030 . 6.270 3.935 3.545 4.385 . 0 0 "[ . 1 . 2]" 1
598 1 40 LEU HB2 1 41 PRO HD2 3.320 . 4.850 4.335 4.073 4.836 . 0 0 "[ . 1 . 2]" 1
599 1 34 TRP HD1 1 40 LEU HG 3.800 . 5.800 5.437 4.956 5.789 . 0 0 "[ . 1 . 2]" 1
600 1 51 GLU HA 1 54 GLN QG 3.590 . 5.390 3.974 2.576 5.151 . 0 0 "[ . 1 . 2]" 1
601 1 56 ASN HB2 1 57 PRO QD 4.020 . 6.250 3.807 2.300 4.189 . 0 0 "[ . 1 . 2]" 1
602 1 56 ASN HB3 1 57 PRO QD 4.020 . 6.250 3.763 2.225 4.390 . 0 0 "[ . 1 . 2]" 1
603 1 44 ALA HA 1 47 GLU HG2 3.800 . 5.800 5.522 4.793 5.825 0.025 19 0 "[ . 1 . 2]" 1
604 1 44 ALA HA 1 47 GLU HG3 3.800 . 5.800 4.128 3.342 4.505 . 0 0 "[ . 1 . 2]" 1
605 1 7 ILE HG13 1 31 ILE HG12 3.800 . 5.800 4.635 4.300 4.966 . 0 0 "[ . 1 . 2]" 1
606 1 7 ILE HG12 1 31 ILE HG12 3.800 . 5.800 4.506 3.763 5.050 . 0 0 "[ . 1 . 2]" 1
607 1 20 PHE HB2 1 34 TRP HA 3.800 . 5.800 3.380 2.180 4.599 . 0 0 "[ . 1 . 2]" 1
608 1 20 PHE HB3 1 34 TRP HA 3.800 . 5.800 3.229 2.202 4.355 . 0 0 "[ . 1 . 2]" 1
609 1 57 PRO HB2 1 58 PRO HD3 3.410 . 5.020 4.227 3.494 4.679 . 0 0 "[ . 1 . 2]" 1
610 1 57 PRO HB2 1 58 PRO HD2 3.410 . 5.020 3.354 2.306 4.480 . 0 0 "[ . 1 . 2]" 1
611 1 57 PRO HB3 1 58 PRO HD3 3.410 . 5.020 3.923 3.036 4.543 . 0 0 "[ . 1 . 2]" 1
612 1 57 PRO HB3 1 58 PRO HD2 3.410 . 5.020 3.174 2.069 4.009 . 0 0 "[ . 1 . 2]" 1
613 1 49 TRP HA 1 52 GLU HG3 3.800 . 5.800 3.647 3.009 4.296 . 0 0 "[ . 1 . 2]" 1
614 1 49 TRP HA 1 52 GLU HG2 3.800 . 5.800 4.997 4.439 5.565 . 0 0 "[ . 1 . 2]" 1
615 1 34 TRP HB3 1 34 TRP HD1 2.470 . 3.150 2.613 2.541 2.729 . 0 0 "[ . 1 . 2]" 1
616 1 4 TYR QD 1 5 ASP HA 4.200 . 6.600 3.456 2.931 4.213 . 0 0 "[ . 1 . 2]" 1
617 1 4 TYR QD 1 8 MET QB 5.300 . 8.810 4.175 3.706 4.779 . 0 0 "[ . 1 . 2]" 1
618 1 4 TYR QE 1 16 SER HB3 4.150 . 6.510 3.180 1.781 6.053 0.009 8 0 "[ . 1 . 2]" 1
619 1 4 TYR QE 1 16 SER HB2 4.150 . 6.510 3.179 1.868 4.694 . 0 0 "[ . 1 . 2]" 1
620 1 4 TYR QE 1 8 MET QG 5.240 . 8.680 3.881 2.725 5.083 . 0 0 "[ . 1 . 2]" 1
621 1 4 TYR QE 1 8 MET QB 5.030 . 8.270 4.144 3.537 4.898 . 0 0 "[ . 1 . 2]" 1
622 1 9 TYR QD 1 49 TRP QB 5.010 . 8.230 2.494 1.771 3.602 0.019 7 0 "[ . 1 . 2]" 1
623 1 10 LYS HB3 1 11 TYR QD 4.860 . 7.930 3.082 2.707 3.454 . 0 0 "[ . 1 . 2]" 1
624 1 10 LYS HB3 1 11 TYR QE 4.860 . 7.930 3.762 3.261 4.595 . 0 0 "[ . 1 . 2]" 1
625 1 19 ASP QB 1 20 PHE QD 5.300 . 8.810 2.571 2.123 3.284 . 0 0 "[ . 1 . 2]" 1
626 1 20 PHE QD 1 22 LEU HG 4.860 . 7.930 3.318 2.297 4.643 . 0 0 "[ . 1 . 2]" 1
627 1 16 SER HA 1 20 PHE QE 4.860 . 7.930 3.268 2.903 3.761 . 0 0 "[ . 1 . 2]" 1
628 1 20 PHE QE 1 22 LEU HG 4.830 . 7.860 3.570 2.713 5.172 . 0 0 "[ . 1 . 2]" 1
629 1 20 PHE QE 1 36 LEU HB2 4.860 . 7.930 7.003 5.722 7.960 0.030 15 0 "[ . 1 . 2]" 1
630 1 16 SER HB3 1 20 PHE HZ 3.800 . 5.800 3.744 2.513 5.033 . 0 0 "[ . 1 . 2]" 1
631 1 25 ASP H 1 30 TYR QE 4.340 . 6.880 3.604 2.071 4.484 . 0 0 "[ . 1 . 2]" 1
632 1 29 SER HA 1 30 TYR QD 4.860 . 7.930 3.387 3.057 4.399 . 0 0 "[ . 1 . 2]" 1
633 1 30 TYR QD 1 32 GLU HA 4.860 . 7.930 4.439 3.095 5.263 . 0 0 "[ . 1 . 2]" 1
634 1 30 TYR QE 1 32 GLU HA 4.180 . 6.570 4.005 2.587 4.952 . 0 0 "[ . 1 . 2]" 1
635 1 23 ARG QD 1 30 TYR QE 5.310 . 8.820 5.058 2.682 7.225 . 0 0 "[ . 1 . 2]" 1
636 1 25 ASP HB3 1 30 TYR QE 4.860 . 7.930 3.569 1.912 4.959 . 0 0 "[ . 1 . 2]" 1
637 1 30 TYR QE 1 32 GLU QG 5.310 . 8.820 4.675 3.157 6.688 . 0 0 "[ . 1 . 2]" 1
638 1 30 TYR QE 1 32 GLU QB 5.300 . 8.810 3.927 2.326 5.448 . 0 0 "[ . 1 . 2]" 1
639 1 23 ARG QB 1 30 TYR QE 5.300 . 8.810 3.283 2.231 5.266 . 0 0 "[ . 1 . 2]" 1
640 1 30 TYR QD 1 32 GLU QB 5.300 . 8.810 4.466 3.482 5.182 . 0 0 "[ . 1 . 2]" 1
641 1 23 ARG QB 1 30 TYR QD 5.300 . 8.810 4.028 3.382 5.360 . 0 0 "[ . 1 . 2]" 1
642 1 34 TRP HA 1 34 TRP HE3 3.800 . 5.800 2.867 2.160 3.376 . 0 0 "[ . 1 . 2]" 1
643 1 20 PHE HB3 1 34 TRP HE3 3.710 . 5.630 3.249 2.489 4.000 . 0 0 "[ . 1 . 2]" 1
644 1 7 ILE HG12 1 34 TRP HZ3 3.800 . 5.800 3.956 2.828 5.176 . 0 0 "[ . 1 . 2]" 1
645 1 50 TRP HA 1 50 TRP HE3 2.560 . 3.320 2.791 2.446 3.072 . 0 0 "[ . 1 . 2]" 1
646 1 5 ASP HB2 1 50 TRP HZ3 3.630 . 5.460 2.237 1.772 3.527 0.028 4 0 "[ . 1 . 2]" 1
647 1 5 ASP HB3 1 50 TRP HZ3 3.560 . 5.320 3.252 2.323 4.694 . 0 0 "[ . 1 . 2]" 1
648 1 2 ILE HB 1 50 TRP HZ3 3.610 . 5.430 2.679 1.946 4.222 . 0 0 "[ . 1 . 2]" 1
649 1 46 LEU HA 1 49 TRP HE3 3.640 . 5.490 2.789 1.920 3.785 . 0 0 "[ . 1 . 2]" 1
650 1 11 TYR QE 1 49 TRP HH2 4.350 . 6.910 3.779 2.022 5.060 . 0 0 "[ . 1 . 2]" 1
651 1 41 PRO HB3 1 49 TRP HZ2 3.300 . 4.810 3.611 2.515 4.370 . 0 0 "[ . 1 . 2]" 1
652 1 41 PRO HB3 1 49 TRP HH2 3.190 . 4.580 2.156 1.742 3.737 0.058 6 0 "[ . 1 . 2]" 1
653 1 41 PRO HG3 1 49 TRP HH2 3.780 . 5.770 2.725 1.918 3.901 . 0 0 "[ . 1 . 2]" 1
654 1 41 PRO HG2 1 49 TRP HH2 3.780 . 5.770 3.952 2.428 4.757 . 0 0 "[ . 1 . 2]" 1
655 1 49 TRP H 1 49 TRP HD1 3.030 . 4.270 3.229 2.645 3.819 . 0 0 "[ . 1 . 2]" 1
656 1 49 TRP HA 1 49 TRP HD1 2.510 . 3.220 2.344 2.167 2.526 . 0 0 "[ . 1 . 2]" 1
657 1 4 TYR QE 1 16 SER H 4.690 . 7.590 4.442 3.814 5.420 . 0 0 "[ . 1 . 2]" 1
658 1 23 ARG H 1 30 TYR QD 4.860 . 7.930 4.025 3.224 5.001 . 0 0 "[ . 1 . 2]" 1
659 1 30 TYR QD 1 31 ILE H 4.180 . 6.570 2.947 2.456 3.391 . 0 0 "[ . 1 . 2]" 1
660 1 24 ASN HA 1 30 TYR QD 4.860 . 7.930 4.035 3.292 5.677 . 0 0 "[ . 1 . 2]" 1
661 1 25 ASP HB2 1 30 TYR QE 4.860 . 7.930 2.661 1.814 3.790 . 0 0 "[ . 1 . 2]" 1
662 1 20 PHE HB2 1 34 TRP HE3 3.710 . 5.630 2.882 2.171 3.777 . 0 0 "[ . 1 . 2]" 1
663 1 34 TRP HD1 1 40 LEU H 3.800 . 5.800 5.710 5.460 5.859 0.059 11 0 "[ . 1 . 2]" 1
664 1 9 TYR QD 1 53 LEU HA 4.860 . 7.930 3.956 3.265 5.505 . 0 0 "[ . 1 . 2]" 1
665 1 11 TYR QE 1 49 TRP HZ2 4.860 . 7.930 4.713 2.912 5.722 . 0 0 "[ . 1 . 2]" 1
666 1 2 ILE HG13 1 2 ILE MG 2.780 . 3.760 2.603 2.351 3.202 . 0 0 "[ . 1 . 2]" 1
667 1 2 ILE MG 1 3 LEU H 3.180 . 4.570 2.873 2.565 3.142 . 0 0 "[ . 1 . 2]" 1
668 1 2 ILE HG12 1 2 ILE MG 2.780 . 3.760 2.294 2.153 3.210 . 0 0 "[ . 1 . 2]" 1
669 1 2 ILE HA 1 2 ILE MD 2.950 . 4.100 3.191 2.131 3.853 . 0 0 "[ . 1 . 2]" 1
670 1 2 ILE HB 1 2 ILE MD 2.790 . 3.790 2.413 2.278 3.239 . 0 0 "[ . 1 . 2]" 1
671 1 2 ILE MD 1 3 LEU H 4.050 . 6.310 4.852 3.934 5.121 . 0 0 "[ . 1 . 2]" 1
672 1 3 LEU HA 1 3 LEU MD2 3.900 . 6.000 2.318 2.102 2.646 . 0 0 "[ . 1 . 2]" 1
673 1 3 LEU HA 1 3 LEU MD1 2.610 . 3.420 1.913 1.817 2.068 . 0 0 "[ . 1 . 2]" 1
674 1 3 LEU MD2 1 4 TYR H 4.310 . 6.820 4.398 4.150 4.606 . 0 0 "[ . 1 . 2]" 1
675 1 3 LEU HA 1 6 ALA MB 3.290 . 4.780 2.777 2.480 3.185 . 0 0 "[ . 1 . 2]" 1
676 1 7 ILE H 1 7 ILE MD 3.130 . 4.470 3.537 3.439 3.581 . 0 0 "[ . 1 . 2]" 1
677 1 7 ILE HB 1 7 ILE MD 2.610 . 3.420 2.403 2.370 2.432 . 0 0 "[ . 1 . 2]" 1
678 1 14 ALA H 1 14 ALA MB 2.610 . 3.420 2.296 2.247 2.361 . 0 0 "[ . 1 . 2]" 1
679 1 15 VAL MG1 1 16 SER H 3.050 . 4.300 2.947 2.612 3.615 . 0 0 "[ . 1 . 2]" 1
680 1 15 VAL H 1 15 VAL MG2 2.710 . 3.620 2.289 2.027 2.818 . 0 0 "[ . 1 . 2]" 1
681 1 22 LEU HA 1 22 LEU MD2 2.930 . 4.070 2.161 2.080 2.292 . 0 0 "[ . 1 . 2]" 1
682 1 22 LEU HA 1 22 LEU MD1 3.220 . 4.640 3.892 3.840 3.949 . 0 0 "[ . 1 . 2]" 1
683 1 31 ILE MD 1 32 GLU H 4.100 . 6.410 5.242 5.131 5.329 . 0 0 "[ . 1 . 2]" 1
684 1 36 LEU HA 1 36 LEU MD1 4.020 . 6.240 3.843 3.821 3.869 . 0 0 "[ . 1 . 2]" 1
685 1 36 LEU HA 1 36 LEU MD2 2.740 . 3.690 1.977 1.901 2.089 . 0 0 "[ . 1 . 2]" 1
686 1 40 LEU H 1 40 LEU MD1 3.880 . 5.970 3.675 2.354 3.895 . 0 0 "[ . 1 . 2]" 1
687 1 40 LEU HA 1 40 LEU MD1 3.000 . 4.200 1.917 1.849 2.442 . 0 0 "[ . 1 . 2]" 1
688 1 40 LEU H 1 40 LEU MD2 3.900 . 6.000 2.335 2.112 3.919 . 0 0 "[ . 1 . 2]" 1
689 1 40 LEU HA 1 40 LEU MD2 3.860 . 5.930 2.665 2.435 3.766 . 0 0 "[ . 1 . 2]" 1
690 1 42 THR H 1 42 THR MG 2.640 . 3.490 2.655 2.381 2.842 . 0 0 "[ . 1 . 2]" 1
691 1 42 THR HA 1 42 THR MG 2.610 . 3.420 2.312 2.258 2.398 . 0 0 "[ . 1 . 2]" 1
692 1 44 ALA H 1 44 ALA MB 2.610 . 3.420 2.232 2.225 2.242 . 0 0 "[ . 1 . 2]" 1
693 1 46 LEU HA 1 46 LEU MD1 3.810 . 5.830 3.852 3.831 3.889 . 0 0 "[ . 1 . 2]" 1
694 1 46 LEU HA 1 46 LEU MD2 2.740 . 3.690 2.001 1.932 2.108 . 0 0 "[ . 1 . 2]" 1
695 1 46 LEU MD2 1 47 GLU H 4.120 . 6.440 4.627 4.594 4.675 . 0 0 "[ . 1 . 2]" 1
696 1 48 THR MG 1 49 TRP H 3.390 . 4.980 3.453 3.279 3.730 . 0 0 "[ . 1 . 2]" 1
697 1 53 LEU HA 1 53 LEU MD2 3.340 . 4.880 3.806 3.060 3.936 . 0 0 "[ . 1 . 2]" 1
698 1 53 LEU HA 1 53 LEU MD1 2.910 . 4.030 2.357 2.066 3.684 . 0 0 "[ . 1 . 2]" 1
699 1 53 LEU MD1 1 54 GLN H 4.310 . 6.820 4.539 4.273 4.820 . 0 0 "[ . 1 . 2]" 1
700 1 53 LEU MD2 1 54 GLN H 4.090 . 6.380 4.140 3.264 4.716 . 0 0 "[ . 1 . 2]" 1
701 1 2 ILE MD 1 50 TRP HZ2 3.700 . 5.600 3.903 2.823 5.600 . 0 0 "[ . 1 . 2]" 1
702 1 2 ILE MD 1 50 TRP HH2 2.880 . 3.960 2.507 1.831 4.046 0.086 16 0 "[ . 1 . 2]" 1
703 1 6 ALA HA 1 53 LEU MD2 4.000 . 6.210 3.732 2.633 5.630 . 0 0 "[ . 1 . 2]" 1
704 1 6 ALA MB 1 53 LEU MD2 4.820 . 7.840 4.313 3.227 5.740 . 0 0 "[ . 1 . 2]" 1
705 1 7 ILE MG 1 11 TYR HB2 4.310 . 6.820 2.927 2.531 3.259 . 0 0 "[ . 1 . 2]" 1
706 1 4 TYR HA 1 7 ILE MD 3.360 . 4.920 2.939 2.232 3.550 . 0 0 "[ . 1 . 2]" 1
707 1 7 ILE MG 1 8 MET HA 4.310 . 6.820 3.368 3.234 3.506 . 0 0 "[ . 1 . 2]" 1
708 1 7 ILE MD 1 34 TRP HE3 4.310 . 6.820 4.162 3.251 4.876 . 0 0 "[ . 1 . 2]" 1
709 1 7 ILE MD 1 20 PHE QE 5.370 . 8.950 2.732 1.997 3.890 . 0 0 "[ . 1 . 2]" 1
710 1 7 ILE MD 1 34 TRP HZ3 3.080 . 4.370 2.788 1.905 3.463 . 0 0 "[ . 1 . 2]" 1
711 1 7 ILE MD 1 20 PHE QD 5.120 . 8.440 2.932 2.615 3.370 . 0 0 "[ . 1 . 2]" 1
712 1 7 ILE MG 1 11 TYR QD 4.620 . 7.450 2.635 1.976 4.152 . 0 0 "[ . 1 . 2]" 1
713 1 7 ILE MG 1 34 TRP HH2 3.460 . 5.120 3.612 2.775 4.725 . 0 0 "[ . 1 . 2]" 1
714 1 7 ILE MG 1 20 PHE QD 5.340 . 8.880 3.504 2.916 4.169 . 0 0 "[ . 1 . 2]" 1
715 1 7 ILE MG 1 34 TRP HZ3 3.100 . 4.400 3.282 2.416 4.312 . 0 0 "[ . 1 . 2]" 1
716 1 11 TYR QD 1 36 LEU MD2 5.010 . 8.230 5.472 4.312 6.874 . 0 0 "[ . 1 . 2]" 1
717 1 13 ASN H 1 14 ALA MB 3.830 . 5.870 4.007 3.903 4.138 . 0 0 "[ . 1 . 2]" 1
718 1 14 ALA MB 1 20 PHE QE 4.110 . 6.430 1.997 1.766 2.545 0.024 4 0 "[ . 1 . 2]" 1
719 1 14 ALA MB 1 20 PHE QD 4.810 . 7.830 3.022 2.287 4.346 . 0 0 "[ . 1 . 2]" 1
720 1 14 ALA MB 1 19 ASP QB 3.710 . 5.630 3.839 2.065 5.434 . 0 0 "[ . 1 . 2]" 1
721 1 11 TYR HB2 1 14 ALA MB 3.050 . 4.300 2.413 1.777 3.121 0.023 9 0 "[ . 1 . 2]" 1
722 1 11 TYR HB3 1 14 ALA MB 3.000 . 4.200 2.331 1.970 2.778 . 0 0 "[ . 1 . 2]" 1
723 1 15 VAL MG1 1 18 LYS H 3.120 . 4.440 3.387 2.269 3.921 . 0 0 "[ . 1 . 2]" 1
724 1 14 ALA MB 1 15 VAL MG2 4.820 . 7.840 4.389 4.216 4.568 . 0 0 "[ . 1 . 2]" 1
725 1 14 ALA MB 1 36 LEU MD1 3.930 . 6.070 2.726 2.078 4.045 . 0 0 "[ . 1 . 2]" 1
726 1 15 VAL MG1 1 18 LYS QE 4.600 . 7.400 4.456 3.176 6.259 . 0 0 "[ . 1 . 2]" 1
727 1 15 VAL MG1 1 19 ASP QB 4.750 . 7.700 4.711 3.331 5.930 . 0 0 "[ . 1 . 2]" 1
728 1 15 VAL MG1 1 18 LYS HA 4.310 . 6.820 4.641 4.128 5.710 . 0 0 "[ . 1 . 2]" 1
729 1 15 VAL MG1 1 18 LYS HB3 3.930 . 6.070 2.997 2.009 6.085 0.015 12 0 "[ . 1 . 2]" 1
730 1 15 VAL MG1 1 18 LYS HB2 3.930 . 6.070 2.939 2.095 4.703 . 0 0 "[ . 1 . 2]" 1
731 1 22 LEU MD2 1 32 GLU H 3.420 . 5.050 3.392 2.562 4.437 . 0 0 "[ . 1 . 2]" 1
732 1 31 ILE MG 1 40 LEU MD1 3.800 . 5.800 3.069 2.207 3.798 . 0 0 "[ . 1 . 2]" 1
733 1 31 ILE MD 1 41 PRO HG2 3.530 . 5.260 3.547 2.585 4.504 . 0 0 "[ . 1 . 2]" 1
734 1 31 ILE MD 1 41 PRO HD2 3.030 . 4.270 3.467 2.789 4.089 . 0 0 "[ . 1 . 2]" 1
735 1 31 ILE MD 1 41 PRO HD3 4.050 . 6.310 4.381 3.793 4.985 . 0 0 "[ . 1 . 2]" 1
736 1 31 ILE MG 1 34 TRP HB2 3.270 . 4.740 2.611 2.045 3.056 . 0 0 "[ . 1 . 2]" 1
737 1 31 ILE MG 1 34 TRP HA 3.590 . 5.390 3.547 2.802 4.017 . 0 0 "[ . 1 . 2]" 1
738 1 31 ILE MG 1 34 TRP HB3 3.830 . 5.870 4.003 3.270 4.507 . 0 0 "[ . 1 . 2]" 1
739 1 23 ARG QD 1 31 ILE MG 4.750 . 7.700 6.488 5.318 7.776 0.076 12 0 "[ . 1 . 2]" 1
740 1 31 ILE MG 1 33 LYS H 3.220 . 4.640 3.279 2.559 3.943 . 0 0 "[ . 1 . 2]" 1
741 1 31 ILE MG 1 34 TRP HE3 2.930 . 4.060 2.097 1.777 2.586 0.023 13 0 "[ . 1 . 2]" 1
742 1 20 PHE QD 1 31 ILE MG 5.370 . 8.950 3.566 2.449 4.938 . 0 0 "[ . 1 . 2]" 1
743 1 31 ILE MD 1 34 TRP HE3 3.780 . 5.770 2.836 2.317 3.818 . 0 0 "[ . 1 . 2]" 1
744 1 31 ILE MD 1 34 TRP HZ3 4.040 . 6.280 2.648 2.042 3.578 . 0 0 "[ . 1 . 2]" 1
745 1 31 ILE MG 1 34 TRP H 3.920 . 6.040 4.169 3.459 4.782 . 0 0 "[ . 1 . 2]" 1
746 1 14 ALA MB 1 36 LEU MD2 4.340 . 6.890 3.471 2.476 5.551 . 0 0 "[ . 1 . 2]" 1
747 1 19 ASP QB 1 36 LEU MD2 3.740 . 5.690 2.307 1.781 3.445 0.009 14 0 "[ . 1 . 2]" 1
748 1 19 ASP QB 1 36 LEU MD1 4.730 . 7.670 3.325 2.307 4.589 . 0 0 "[ . 1 . 2]" 1
749 1 14 ALA HA 1 36 LEU MD2 4.120 . 6.440 3.834 2.556 5.661 . 0 0 "[ . 1 . 2]" 1
750 1 11 TYR QD 1 36 LEU MD1 5.320 . 8.850 4.097 2.936 5.312 . 0 0 "[ . 1 . 2]" 1
751 1 34 TRP HZ2 1 36 LEU MD1 3.360 . 4.920 3.103 2.738 3.381 . 0 0 "[ . 1 . 2]" 1
752 1 36 LEU MD2 1 38 ALA H 4.090 . 6.380 4.756 4.214 5.104 . 0 0 "[ . 1 . 2]" 1
753 1 36 LEU HB3 1 38 ALA MB 3.460 . 5.120 2.837 2.463 3.134 . 0 0 "[ . 1 . 2]" 1
754 1 36 LEU MD2 1 38 ALA MB 4.460 . 7.120 4.067 3.366 4.558 . 0 0 "[ . 1 . 2]" 1
755 1 38 ALA MB 1 39 PRO HD3 2.980 . 4.170 3.408 3.109 3.683 . 0 0 "[ . 1 . 2]" 1
756 1 38 ALA MB 1 39 PRO HD2 2.810 . 3.830 2.318 1.834 2.694 . 0 0 "[ . 1 . 2]" 1
757 1 11 TYR QE 1 38 ALA MB 4.760 . 7.730 4.132 2.504 5.531 . 0 0 "[ . 1 . 2]" 1
758 1 34 TRP HE3 1 40 LEU MD1 3.630 . 5.460 3.628 3.032 4.698 . 0 0 "[ . 1 . 2]" 1
759 1 34 TRP HD1 1 40 LEU MD1 4.070 . 6.340 3.891 3.104 4.366 . 0 0 "[ . 1 . 2]" 1
760 1 31 ILE HB 1 40 LEU MD1 3.070 . 4.340 3.962 3.335 4.360 0.020 18 0 "[ . 1 . 2]" 1
761 1 40 LEU MD1 1 41 PRO HD2 2.850 . 3.900 2.346 2.084 3.811 . 0 0 "[ . 1 . 2]" 1
762 1 40 LEU MD1 1 41 PRO HD3 3.150 . 4.510 3.264 2.486 4.390 . 0 0 "[ . 1 . 2]" 1
763 1 31 ILE HB 1 40 LEU MD2 4.120 . 6.440 5.966 2.951 6.485 0.045 10 0 "[ . 1 . 2]" 1
764 1 34 TRP HB2 1 40 LEU MD1 3.070 . 4.340 3.107 2.676 3.663 . 0 0 "[ . 1 . 2]" 1
765 1 34 TRP HB3 1 40 LEU MD1 3.220 . 4.640 3.630 2.708 4.610 . 0 0 "[ . 1 . 2]" 1
766 1 40 LEU MD2 1 41 PRO HD3 4.310 . 6.820 4.562 3.901 5.262 . 0 0 "[ . 1 . 2]" 1
767 1 40 LEU MD2 1 41 PRO HD2 4.310 . 6.820 4.132 3.918 4.850 . 0 0 "[ . 1 . 2]" 1
768 1 41 PRO HB2 1 46 LEU MD2 3.520 . 5.250 2.610 2.005 3.263 . 0 0 "[ . 1 . 2]" 1
769 1 41 PRO HB2 1 46 LEU MD1 3.490 . 5.190 3.863 3.222 4.369 . 0 0 "[ . 1 . 2]" 1
770 1 41 PRO HB3 1 46 LEU MD2 3.660 . 5.530 3.567 2.918 4.059 . 0 0 "[ . 1 . 2]" 1
771 1 41 PRO HB3 1 46 LEU MD1 4.310 . 6.820 5.217 4.678 5.612 . 0 0 "[ . 1 . 2]" 1
772 1 31 ILE MD 1 41 PRO HG3 3.530 . 5.260 3.921 3.021 5.285 0.025 13 0 "[ . 1 . 2]" 1
773 1 42 THR MG 1 44 ALA H 3.580 . 5.360 4.464 4.311 4.714 . 0 0 "[ . 1 . 2]" 1
774 1 43 GLN HB3 1 46 LEU MD1 4.100 . 6.410 4.868 4.302 5.406 . 0 0 "[ . 1 . 2]" 1
775 1 43 GLN HA 1 46 LEU MD2 4.310 . 6.820 4.607 4.323 4.944 . 0 0 "[ . 1 . 2]" 1
776 1 43 GLN HA 1 46 LEU MD1 3.000 . 4.200 2.267 1.914 2.748 . 0 0 "[ . 1 . 2]" 1
777 1 46 LEU MD2 1 49 TRP HE3 3.130 . 4.470 2.827 2.204 3.320 . 0 0 "[ . 1 . 2]" 1
778 1 46 LEU MD2 1 49 TRP HZ3 3.120 . 4.440 2.323 1.776 3.200 0.024 7 0 "[ . 1 . 2]" 1
779 1 48 THR MG 1 49 TRP HD1 3.030 . 4.270 3.322 2.926 4.037 . 0 0 "[ . 1 . 2]" 1
780 1 45 GLU HA 1 48 THR MG 3.610 . 5.420 3.932 3.536 4.313 . 0 0 "[ . 1 . 2]" 1
781 1 48 THR MG 1 52 GLU HG2 3.590 . 5.390 3.914 3.516 4.296 . 0 0 "[ . 1 . 2]" 1
782 1 48 THR MG 1 52 GLU HG3 4.120 . 6.440 2.681 2.354 3.068 . 0 0 "[ . 1 . 2]" 1
783 1 48 THR MG 1 51 GLU HB2 4.140 . 6.480 3.896 3.172 5.012 . 0 0 "[ . 1 . 2]" 1
784 1 48 THR MG 1 52 GLU HB2 4.000 . 6.210 4.110 3.754 4.408 . 0 0 "[ . 1 . 2]" 1
785 1 50 TRP HA 1 53 LEU MD2 3.220 . 4.640 3.369 2.862 4.246 . 0 0 "[ . 1 . 2]" 1
786 1 5 ASP HB2 1 53 LEU MD2 3.270 . 4.740 3.314 2.404 4.741 0.001 16 0 "[ . 1 . 2]" 1
787 1 5 ASP HB3 1 53 LEU MD2 3.340 . 4.880 2.199 1.793 3.692 0.007 10 0 "[ . 1 . 2]" 1
788 1 50 TRP HZ3 1 53 LEU MD2 3.710 . 5.630 3.586 2.687 4.512 . 0 0 "[ . 1 . 2]" 1
789 1 7 ILE MG 1 36 LEU MD1 4.820 . 7.840 3.658 2.885 4.729 . 0 0 "[ . 1 . 2]" 1
790 1 4 TYR HB3 1 22 LEU MD1 3.830 . 5.870 3.429 2.865 3.816 . 0 0 "[ . 1 . 2]" 1
791 1 4 TYR HB2 1 22 LEU MD1 3.300 . 4.810 2.072 1.759 2.626 0.031 2 0 "[ . 1 . 2]" 1
792 1 4 TYR HA 1 22 LEU MD1 3.000 . 4.200 2.572 2.007 3.750 . 0 0 "[ . 1 . 2]" 1
793 1 22 LEU H 1 22 LEU MD1 4.290 . 6.780 3.791 3.615 4.027 . 0 0 "[ . 1 . 2]" 1
794 1 8 MET ME 1 14 ALA MB 3.920 . 6.040 3.347 2.096 4.752 . 0 0 "[ . 1 . 2]" 1
795 1 8 MET HA 1 8 MET ME 2.880 . 3.960 2.539 1.723 3.980 0.077 8 0 "[ . 1 . 2]" 1
796 1 8 MET ME 1 12 PRO HA 3.030 . 4.270 3.008 1.776 4.283 0.014 14 0 "[ . 1 . 2]" 1
797 1 8 MET ME 1 20 PHE QE 4.780 . 7.760 3.985 2.575 6.811 . 0 0 "[ . 1 . 2]" 1
798 1 8 MET H 1 8 MET ME 3.850 . 5.900 4.158 3.008 5.761 . 0 0 "[ . 1 . 2]" 1
799 1 8 MET ME 1 14 ALA H 3.100 . 4.400 3.649 2.781 4.448 0.048 13 0 "[ . 1 . 2]" 1
800 1 8 MET ME 1 15 VAL MG1 4.820 . 7.840 5.227 4.131 6.177 . 0 0 "[ . 1 . 2]" 1
801 1 7 ILE MG 1 8 MET ME 4.820 . 7.840 3.903 2.013 5.861 . 0 0 "[ . 1 . 2]" 1
802 1 7 ILE MD 1 34 TRP HH2 4.040 . 6.280 4.333 3.337 5.099 . 0 0 "[ . 1 . 2]" 1
803 1 7 ILE MD 1 31 ILE HG13 3.080 . 4.370 2.933 2.482 3.544 . 0 0 "[ . 1 . 2]" 1
804 1 16 SER HB3 1 22 LEU MD2 4.090 . 6.380 4.957 3.524 6.416 0.036 13 0 "[ . 1 . 2]" 1
805 1 2 ILE MG 1 6 ALA H 4.020 . 6.240 4.204 3.689 4.718 . 0 0 "[ . 1 . 2]" 1
806 1 2 ILE MG 1 4 TYR HB3 3.340 . 4.880 2.156 1.856 2.539 . 0 0 "[ . 1 . 2]" 1
807 1 20 PHE QE 1 22 LEU MD2 5.250 . 8.710 2.833 2.226 3.996 . 0 0 "[ . 1 . 2]" 1
808 1 20 PHE QE 1 22 LEU MD1 5.200 . 8.610 2.933 1.929 5.129 . 0 0 "[ . 1 . 2]" 1
809 1 34 TRP HZ2 1 38 ALA MB 3.290 . 4.780 2.400 1.779 3.059 0.021 3 0 "[ . 1 . 2]" 1
810 1 37 ARG HA 1 38 ALA MB 4.090 . 6.380 4.509 4.376 4.581 . 0 0 "[ . 1 . 2]" 1
811 1 6 ALA MB 1 50 TRP HA 3.340 . 4.880 3.596 2.605 4.537 . 0 0 "[ . 1 . 2]" 1
812 1 6 ALA MB 1 50 TRP HZ3 4.310 . 6.820 4.359 2.898 5.127 . 0 0 "[ . 1 . 2]" 1
813 1 6 ALA MB 1 53 LEU MD1 4.820 . 7.840 5.395 3.356 6.248 . 0 0 "[ . 1 . 2]" 1
814 1 22 LEU MD2 1 23 ARG QD 4.750 . 7.700 5.886 4.732 7.021 . 0 0 "[ . 1 . 2]" 1
815 1 3 LEU MD2 1 29 SER QB 3.860 . 5.930 4.846 4.358 5.772 . 0 0 "[ . 1 . 2]" 1
816 1 22 LEU MD2 1 31 ILE HA 2.830 . 3.860 2.259 1.791 3.259 0.009 8 0 "[ . 1 . 2]" 1
817 1 31 ILE MD 1 40 LEU MD1 4.270 . 6.750 2.844 2.237 3.862 . 0 0 "[ . 1 . 2]" 1
818 1 7 ILE HG12 1 31 ILE MG 3.760 . 5.730 5.480 4.982 5.788 0.058 4 0 "[ . 1 . 2]" 1
819 1 7 ILE HG12 1 31 ILE MD 4.140 . 6.480 3.159 2.329 3.760 . 0 0 "[ . 1 . 2]" 1
820 1 36 LEU MD1 1 38 ALA MB 4.820 . 7.840 3.369 2.983 3.651 . 0 0 "[ . 1 . 2]" 1
821 1 41 PRO HG2 1 46 LEU MD2 3.850 . 5.900 2.122 1.816 2.637 . 0 0 "[ . 1 . 2]" 1
822 1 31 ILE MD 1 41 PRO HB2 4.310 . 6.820 5.322 4.052 6.082 . 0 0 "[ . 1 . 2]" 1
823 1 1 MET ME 1 3 LEU HA 3.240 . 4.680 3.568 2.728 4.794 0.114 17 0 "[ . 1 . 2]" 1
824 1 1 MET ME 1 47 GLU HA 3.300 . 4.810 2.965 2.366 4.198 . 0 0 "[ . 1 . 2]" 1
825 1 1 MET ME 1 43 GLN HE22 3.460 . 5.120 4.105 2.739 5.148 0.028 2 0 "[ . 1 . 2]" 1
826 1 1 MET ME 1 47 GLU H 3.200 . 4.610 3.792 3.193 4.654 0.044 1 0 "[ . 1 . 2]" 1
827 1 1 MET ME 1 43 GLN HA 3.680 . 5.560 4.977 3.109 5.593 0.033 14 0 "[ . 1 . 2]" 1
828 1 1 MET ME 1 50 TRP HB2 3.980 . 6.170 2.805 1.797 5.305 . 0 0 "[ . 1 . 2]" 1
829 1 1 MET ME 1 46 LEU MD1 3.980 . 6.170 3.306 2.367 3.758 . 0 0 "[ . 1 . 2]" 1
830 1 6 ALA MB 1 46 LEU MD2 3.690 . 5.590 3.131 2.139 4.070 . 0 0 "[ . 1 . 2]" 1
831 1 41 PRO HD2 1 46 LEU MD1 3.880 . 5.970 4.787 3.618 5.295 . 0 0 "[ . 1 . 2]" 1
832 1 1 MET ME 1 47 GLU HG3 4.310 . 6.820 3.462 2.510 4.280 . 0 0 "[ . 1 . 2]" 1
833 1 36 LEU HB2 1 38 ALA MB 3.800 . 5.800 3.395 2.908 3.696 . 0 0 "[ . 1 . 2]" 1
834 1 7 ILE HA 1 46 LEU MD2 4.310 . 6.820 4.782 3.813 5.552 . 0 0 "[ . 1 . 2]" 1
835 1 3 LEU MD2 1 31 ILE H 3.350 . 4.910 3.705 3.288 4.279 . 0 0 "[ . 1 . 2]" 1
836 1 3 LEU MD1 1 31 ILE H 4.100 . 6.410 4.120 3.530 4.609 . 0 0 "[ . 1 . 2]" 1
837 1 3 LEU MD1 1 7 ILE HA 3.850 . 5.900 4.777 4.091 5.660 . 0 0 "[ . 1 . 2]" 1
838 1 3 LEU MD1 1 31 ILE HB 4.310 . 6.820 4.767 4.238 5.403 . 0 0 "[ . 1 . 2]" 1
839 1 3 LEU MD1 1 46 LEU MD1 4.630 . 7.460 2.337 1.785 3.439 0.015 2 0 "[ . 1 . 2]" 1
840 1 3 LEU MD2 1 46 LEU MD1 4.820 . 7.840 2.888 1.795 3.691 0.005 10 0 "[ . 1 . 2]" 1
841 1 3 LEU MD2 1 31 ILE HA 4.270 . 6.750 5.645 5.206 6.255 . 0 0 "[ . 1 . 2]" 1
842 1 3 LEU MD1 1 31 ILE HA 4.310 . 6.820 5.357 5.024 6.106 . 0 0 "[ . 1 . 2]" 1
843 1 1 MET ME 1 3 LEU MD2 4.150 . 6.510 2.844 1.778 4.089 0.012 4 0 "[ . 1 . 2]" 1
844 1 1 MET ME 1 3 LEU MD1 4.150 . 6.510 3.134 2.424 4.655 . 0 0 "[ . 1 . 2]" 1
845 1 6 ALA HA 1 53 LEU MD1 4.150 . 6.510 4.567 2.477 5.571 . 0 0 "[ . 1 . 2]" 1
846 1 1 MET ME 1 50 TRP HB3 3.980 . 6.170 3.649 2.946 5.555 . 0 0 "[ . 1 . 2]" 1
847 1 1 MET ME 1 46 LEU HB3 3.300 . 4.810 2.393 1.980 2.937 . 0 0 "[ . 1 . 2]" 1
848 1 3 LEU MD1 1 30 TYR HA 3.560 . 5.320 4.063 3.849 4.491 . 0 0 "[ . 1 . 2]" 1
849 1 3 LEU MD2 1 30 TYR HA 3.010 . 4.230 2.379 1.982 3.160 . 0 0 "[ . 1 . 2]" 1
850 1 7 ILE MG 1 20 PHE HZ 4.050 . 6.310 2.984 1.950 3.951 . 0 0 "[ . 1 . 2]" 1
851 1 7 ILE HG13 1 31 ILE MD 4.310 . 6.820 3.783 3.417 4.399 . 0 0 "[ . 1 . 2]" 1
852 1 7 ILE MD 1 31 ILE MD 3.590 . 5.390 2.138 1.782 2.620 0.008 2 0 "[ . 1 . 2]" 1
853 1 7 ILE MD 1 31 ILE HG12 2.810 . 3.830 2.201 1.917 2.585 . 0 0 "[ . 1 . 2]" 1
854 1 3 LEU MD1 1 31 ILE HG13 3.170 . 4.540 2.916 2.448 3.613 . 0 0 "[ . 1 . 2]" 1
855 1 3 LEU MD1 1 31 ILE HG12 4.310 . 6.820 3.592 3.157 4.737 . 0 0 "[ . 1 . 2]" 1
856 1 3 LEU MD2 1 31 ILE HG12 4.310 . 6.820 5.025 4.519 5.923 . 0 0 "[ . 1 . 2]" 1
857 1 3 LEU MD2 1 31 ILE HG13 3.710 . 5.630 3.845 3.376 4.770 . 0 0 "[ . 1 . 2]" 1
858 1 3 LEU MD1 1 46 LEU MD2 4.820 . 7.840 1.992 1.771 2.254 0.029 4 0 "[ . 1 . 2]" 1
859 1 3 LEU MD2 1 46 LEU MD2 4.820 . 7.840 3.613 2.732 4.277 . 0 0 "[ . 1 . 2]" 1
860 1 3 LEU MD2 1 31 ILE MD 4.820 . 7.840 4.285 3.701 5.242 . 0 0 "[ . 1 . 2]" 1
861 1 3 LEU MD1 1 31 ILE MD 4.720 . 7.640 2.503 1.976 3.526 . 0 0 "[ . 1 . 2]" 1
862 1 16 SER HB2 1 22 LEU MD2 4.090 . 6.380 5.625 3.029 6.449 0.069 5 0 "[ . 1 . 2]" 1
863 1 15 VAL MG1 1 18 LYS HD2 3.540 . 5.290 3.699 1.778 5.367 0.077 18 0 "[ . 1 . 2]" 1
864 1 15 VAL MG1 1 18 LYS HD3 3.540 . 5.290 3.673 2.363 5.353 0.063 14 0 "[ . 1 . 2]" 1
865 1 7 ILE MG 1 14 ALA MB 4.560 . 7.330 2.793 2.296 3.638 . 0 0 "[ . 1 . 2]" 1
866 1 50 TRP HA 1 53 LEU MD1 3.710 . 5.630 4.816 3.131 5.364 . 0 0 "[ . 1 . 2]" 1
867 1 41 PRO HG3 1 46 LEU MD2 3.850 . 5.900 2.839 2.591 3.739 . 0 0 "[ . 1 . 2]" 1
868 1 6 ALA MB 1 49 TRP QB 4.190 . 6.580 2.323 1.820 2.923 . 0 0 "[ . 1 . 2]" 1
869 1 31 ILE MD 1 46 LEU MD1 4.820 . 7.840 3.814 2.949 4.379 . 0 0 "[ . 1 . 2]" 1
870 1 22 LEU MD1 1 23 ARG H 4.310 . 6.820 4.672 4.528 4.870 . 0 0 "[ . 1 . 2]" 1
871 1 1 MET ME 1 47 GLU HG2 4.310 . 6.820 3.151 2.324 3.994 . 0 0 "[ . 1 . 2]" 1
872 1 53 LEU MD2 1 54 GLN HE21 4.310 . 6.820 3.839 1.954 6.231 . 0 0 "[ . 1 . 2]" 1
873 1 3 LEU MD2 1 30 TYR HB3 3.980 . 6.170 2.898 1.926 4.021 . 0 0 "[ . 1 . 2]" 1
874 1 3 LEU MD2 1 30 TYR HB2 3.980 . 6.170 3.092 2.477 3.983 . 0 0 "[ . 1 . 2]" 1
875 1 4 TYR QD 1 22 LEU MD1 4.110 . 6.430 2.194 1.765 2.950 0.025 19 0 "[ . 1 . 2]" 1
876 1 4 TYR QE 1 22 LEU MD1 5.370 . 8.950 3.954 3.335 4.849 . 0 0 "[ . 1 . 2]" 1
877 1 4 TYR QE 1 8 MET ME 5.370 . 8.950 4.080 2.671 5.450 . 0 0 "[ . 1 . 2]" 1
878 1 9 TYR QD 1 53 LEU MD1 4.050 . 6.300 2.714 1.849 4.339 . 0 0 "[ . 1 . 2]" 1
879 1 20 PHE QD 1 22 LEU MD2 4.780 . 7.760 2.341 1.792 3.487 0.008 5 0 "[ . 1 . 2]" 1
880 1 20 PHE QD 1 36 LEU MD2 5.370 . 8.950 3.639 2.312 4.918 . 0 0 "[ . 1 . 2]" 1
881 1 20 PHE QD 1 36 LEU MD1 5.100 . 8.400 2.837 2.073 3.695 . 0 0 "[ . 1 . 2]" 1
882 1 7 ILE MG 1 20 PHE QE 5.370 . 8.950 2.816 2.031 3.371 . 0 0 "[ . 1 . 2]" 1
883 1 3 LEU MD2 1 30 TYR QD 5.370 . 8.950 4.354 3.509 5.206 . 0 0 "[ . 1 . 2]" 1
884 1 34 TRP HE3 1 40 LEU MD2 4.000 . 6.210 5.032 4.499 5.724 . 0 0 "[ . 1 . 2]" 1
885 1 34 TRP HZ2 1 36 LEU MD2 3.980 . 6.170 5.103 4.796 5.355 . 0 0 "[ . 1 . 2]" 1
886 1 34 TRP HH2 1 36 LEU MD1 3.700 . 5.600 2.746 2.486 2.933 . 0 0 "[ . 1 . 2]" 1
887 1 6 ALA MB 1 50 TRP HE3 3.710 . 5.630 2.814 1.896 3.493 . 0 0 "[ . 1 . 2]" 1
888 1 50 TRP HE3 1 53 LEU MD2 3.150 . 4.510 3.439 2.589 4.416 . 0 0 "[ . 1 . 2]" 1
889 1 6 ALA MB 1 49 TRP HZ3 4.140 . 6.480 3.969 3.088 5.408 . 0 0 "[ . 1 . 2]" 1
890 1 6 ALA MB 1 49 TRP HE3 3.900 . 6.000 2.235 1.744 3.569 0.056 15 0 "[ . 1 . 2]" 1
891 1 9 TYR QE 1 53 LEU MD1 5.050 . 8.310 3.786 2.931 5.155 . 0 0 "[ . 1 . 2]" 1
892 1 11 TYR QD 1 14 ALA MB 4.810 . 7.820 3.653 3.240 4.134 . 0 0 "[ . 1 . 2]" 1
893 1 20 PHE QE 1 36 LEU MD2 5.370 . 8.950 4.609 2.694 5.995 . 0 0 "[ . 1 . 2]" 1
894 1 11 TYR QE 1 36 LEU MD2 5.250 . 8.710 5.990 4.799 7.211 . 0 0 "[ . 1 . 2]" 1
895 1 11 TYR QE 1 36 LEU MD1 5.370 . 8.950 4.528 3.357 5.785 . 0 0 "[ . 1 . 2]" 1
896 1 1 MET ME 1 43 GLN QE 3.370 . 4.940 3.698 2.680 4.282 . 0 0 "[ . 1 . 2]" 1
897 1 1 MET ME 1 50 TRP QB 3.740 . 5.680 2.689 1.788 4.829 0.012 15 0 "[ . 1 . 2]" 1
898 1 2 ILE HA 1 2 ILE QG 2.740 . 3.680 2.482 2.329 3.046 . 0 0 "[ . 1 . 2]" 1
899 1 2 ILE QG 1 3 LEU H 4.240 . 6.680 4.325 4.011 4.845 . 0 0 "[ . 1 . 2]" 1
900 1 2 ILE QG 1 50 TRP HZ2 3.980 . 6.170 5.597 3.709 6.229 0.059 5 0 "[ . 1 . 2]" 1
901 1 2 ILE QG 1 50 TRP HH2 4.080 . 6.370 3.969 2.318 4.847 . 0 0 "[ . 1 . 2]" 1
902 1 3 LEU MD2 1 30 TYR QB 3.810 . 5.820 2.627 1.900 3.525 . 0 0 "[ . 1 . 2]" 1
903 1 3 LEU MD2 1 43 GLN QE 4.740 . 7.680 5.089 3.990 6.938 . 0 0 "[ . 1 . 2]" 1
904 1 4 TYR QD 1 16 SER QB 5.300 . 8.810 3.478 2.713 4.152 . 0 0 "[ . 1 . 2]" 1
905 1 4 TYR QE 1 16 SER QB 4.060 . 6.330 2.679 1.759 4.543 0.031 8 0 "[ . 1 . 2]" 1
906 1 6 ALA MB 1 50 TRP QB 3.440 . 5.080 3.082 2.358 3.691 . 0 0 "[ . 1 . 2]" 1
907 1 10 LYS H 1 10 LYS QG 3.780 . 5.760 4.010 3.891 4.098 . 0 0 "[ . 1 . 2]" 1
908 1 10 LYS H 1 10 LYS QD 3.440 . 5.080 4.353 4.128 4.519 . 0 0 "[ . 1 . 2]" 1
909 1 10 LYS HA 1 10 LYS QD 3.220 . 4.650 2.988 1.882 4.045 . 0 0 "[ . 1 . 2]" 1
910 1 10 LYS HB2 1 10 LYS QE 3.590 . 5.390 4.082 3.646 4.499 . 0 0 "[ . 1 . 2]" 1
911 1 10 LYS HB3 1 10 LYS QD 2.610 . 3.430 2.741 2.105 3.306 . 0 0 "[ . 1 . 2]" 1
912 1 10 LYS QG 1 11 TYR QE 5.300 . 8.810 3.341 2.703 4.736 . 0 0 "[ . 1 . 2]" 1
913 1 10 LYS QD 1 11 TYR H 4.240 . 6.680 4.472 3.663 4.815 . 0 0 "[ . 1 . 2]" 1
914 1 10 LYS QD 1 49 TRP HE1 3.650 . 5.510 3.187 2.209 4.812 . 0 0 "[ . 1 . 2]" 1
915 1 10 LYS QE 1 11 TYR QE 5.300 . 8.810 3.460 2.843 4.475 . 0 0 "[ . 1 . 2]" 1
916 1 10 LYS QE 1 49 TRP HE1 3.600 . 5.400 3.575 2.607 4.450 . 0 0 "[ . 1 . 2]" 1
917 1 10 LYS QE 1 49 TRP HZ2 3.630 . 5.460 3.175 2.364 4.538 . 0 0 "[ . 1 . 2]" 1
918 1 12 PRO QG 1 13 ASN H 3.440 . 5.080 3.485 2.616 3.907 . 0 0 "[ . 1 . 2]" 1
919 1 15 VAL MG1 1 18 LYS QB 3.660 . 5.530 2.554 1.985 4.554 . 0 0 "[ . 1 . 2]" 1
920 1 15 VAL MG1 1 18 LYS QD 3.190 . 4.580 3.170 1.770 4.600 0.030 11 0 "[ . 1 . 2]" 1
921 1 16 SER H 1 16 SER QB 2.560 . 3.330 2.596 2.254 2.790 . 0 0 "[ . 1 . 2]" 1
922 1 16 SER QB 1 20 PHE HZ 3.640 . 5.490 3.424 2.495 4.681 . 0 0 "[ . 1 . 2]" 1
923 1 16 SER QB 1 22 LEU MD2 4.000 . 6.200 4.559 2.863 5.495 . 0 0 "[ . 1 . 2]" 1
924 1 17 ARG HA 1 21 GLU QB 3.730 . 5.660 3.342 2.081 5.472 . 0 0 "[ . 1 . 2]" 1
925 1 18 LYS H 1 18 LYS QB 2.520 . 3.240 2.516 2.254 2.681 . 0 0 "[ . 1 . 2]" 1
926 1 18 LYS H 1 18 LYS QG 3.640 . 5.480 3.932 2.465 4.258 . 0 0 "[ . 1 . 2]" 1
927 1 18 LYS H 1 18 LYS QD 4.240 . 6.680 4.425 2.350 5.030 . 0 0 "[ . 1 . 2]" 1
928 1 18 LYS HA 1 18 LYS QG 2.660 . 3.530 2.599 2.269 3.127 . 0 0 "[ . 1 . 2]" 1
929 1 18 LYS HA 1 18 LYS QD 3.290 . 4.790 3.494 2.001 4.237 . 0 0 "[ . 1 . 2]" 1
930 1 18 LYS QB 1 19 ASP H 2.650 . 3.510 2.134 1.900 2.657 . 0 0 "[ . 1 . 2]" 1
931 1 20 PHE QB 1 21 GLU H 2.770 . 3.750 2.965 2.202 3.375 . 0 0 "[ . 1 . 2]" 1
932 1 21 GLU H 1 21 GLU QB 2.570 . 3.340 2.518 2.306 2.791 . 0 0 "[ . 1 . 2]" 1
933 1 21 GLU H 1 33 LYS QG 3.660 . 5.520 3.937 3.212 4.864 . 0 0 "[ . 1 . 2]" 1
934 1 21 GLU QB 1 22 LEU H 2.880 . 3.970 3.494 2.345 3.765 . 0 0 "[ . 1 . 2]" 1
935 1 23 ARG H 1 23 ARG QG 3.400 . 5.010 4.039 2.617 4.306 . 0 0 "[ . 1 . 2]" 1
936 1 23 ARG HA 1 23 ARG QG 2.750 . 3.710 2.415 2.138 3.305 . 0 0 "[ . 1 . 2]" 1
937 1 23 ARG QG 1 24 ASN H 2.680 . 3.570 2.684 2.050 3.322 . 0 0 "[ . 1 . 2]" 1
938 1 23 ARG QG 1 30 TYR QE 5.300 . 8.810 4.493 2.964 6.852 . 0 0 "[ . 1 . 2]" 1
939 1 23 ARG QG 1 32 GLU QB 3.840 . 5.890 3.578 2.509 4.901 . 0 0 "[ . 1 . 2]" 1
940 1 23 ARG QG 1 32 GLU QG 4.030 . 6.270 3.720 2.458 4.517 . 0 0 "[ . 1 . 2]" 1
941 1 25 ASP H 1 25 ASP QB 2.570 . 3.340 2.297 2.201 2.599 . 0 0 "[ . 1 . 2]" 1
942 1 25 ASP QB 1 26 GLY H 3.110 . 4.430 2.881 2.368 3.573 . 0 0 "[ . 1 . 2]" 1
943 1 25 ASP QB 1 30 TYR QE 4.550 . 7.310 2.453 1.775 3.655 0.015 14 0 "[ . 1 . 2]" 1
944 1 27 ASN H 1 27 ASN QB 2.560 . 3.330 2.341 2.239 2.517 . 0 0 "[ . 1 . 2]" 1
945 1 27 ASN QB 1 27 ASN HD21 2.460 . 3.130 2.207 2.141 2.767 . 0 0 "[ . 1 . 2]" 1
946 1 27 ASN QB 1 27 ASN HD22 2.750 . 3.700 3.260 3.209 3.478 . 0 0 "[ . 1 . 2]" 1
947 1 27 ASN QB 1 28 GLY H 2.990 . 4.190 3.365 2.883 3.845 . 0 0 "[ . 1 . 2]" 1
948 1 30 TYR H 1 30 TYR QB 2.780 . 3.760 2.949 2.794 3.227 . 0 0 "[ . 1 . 2]" 1
949 1 30 TYR QB 1 31 ILE H 2.610 . 3.420 2.079 1.800 2.262 . 0 0 "[ . 1 . 2]" 1
950 1 30 TYR QB 1 31 ILE MD 4.750 . 7.700 4.779 4.180 5.213 . 0 0 "[ . 1 . 2]" 1
951 1 31 ILE MD 1 41 PRO QG 3.310 . 4.820 3.285 2.446 4.267 . 0 0 "[ . 1 . 2]" 1
952 1 32 GLU QG 1 33 LYS QG 4.680 . 7.560 4.337 2.081 6.532 . 0 0 "[ . 1 . 2]" 1
953 1 33 LYS H 1 33 LYS QG 3.460 . 5.120 3.659 2.469 4.193 . 0 0 "[ . 1 . 2]" 1
954 1 33 LYS H 1 33 LYS QD 3.620 . 5.450 4.427 3.052 5.184 . 0 0 "[ . 1 . 2]" 1
955 1 33 LYS HA 1 33 LYS QD 4.240 . 6.680 3.064 2.024 4.261 . 0 0 "[ . 1 . 2]" 1
956 1 33 LYS QD 1 33 LYS QG 2.060 . 2.330 2.023 1.935 2.078 . 0 0 "[ . 1 . 2]" 1
957 1 33 LYS QE 1 33 LYS QG 2.470 . 3.140 2.383 2.118 2.872 . 0 0 "[ . 1 . 2]" 1
958 1 33 LYS QG 1 35 ASN HD22 4.240 . 6.680 4.252 2.599 6.402 . 0 0 "[ . 1 . 2]" 1
959 1 33 LYS QD 1 33 LYS QE 2.070 . 2.340 2.025 1.980 2.089 . 0 0 "[ . 1 . 2]" 1
960 1 33 LYS QD 1 35 ASN HD21 4.240 . 6.680 4.754 2.969 6.417 . 0 0 "[ . 1 . 2]" 1
961 1 33 LYS QD 1 35 ASN HD22 3.780 . 5.760 3.872 2.037 5.795 0.035 15 0 "[ . 1 . 2]" 1
962 1 37 ARG H 1 37 ARG QG 2.790 . 3.790 2.465 2.287 2.661 . 0 0 "[ . 1 . 2]" 1
963 1 41 PRO QG 1 46 LEU MD1 3.660 . 5.530 3.294 2.975 4.341 . 0 0 "[ . 1 . 2]" 1
964 1 41 PRO QG 1 46 LEU MD2 3.550 . 5.300 2.057 1.785 2.524 0.015 2 0 "[ . 1 . 2]" 1
965 1 41 PRO QG 1 49 TRP HZ3 3.800 . 5.810 2.691 2.178 3.517 . 0 0 "[ . 1 . 2]" 1
966 1 41 PRO QG 1 49 TRP HH2 3.470 . 5.150 2.665 1.910 3.732 . 0 0 "[ . 1 . 2]" 1
967 1 43 GLN H 1 43 GLN QG 3.200 . 4.610 3.773 2.564 4.056 . 0 0 "[ . 1 . 2]" 1
968 1 43 GLN HA 1 43 GLN QG 2.790 . 3.790 2.730 2.256 3.004 . 0 0 "[ . 1 . 2]" 1
969 1 43 GLN QE 1 46 LEU MD1 4.130 . 6.460 3.538 2.391 5.462 . 0 0 "[ . 1 . 2]" 1
970 1 45 GLU H 1 45 GLU QG 2.760 . 3.720 2.818 2.395 3.799 0.079 3 0 "[ . 1 . 2]" 1
971 1 45 GLU QG 1 49 TRP HE1 3.630 . 5.460 3.904 2.058 5.334 . 0 0 "[ . 1 . 2]" 1
972 1 45 GLU QG 1 49 TRP HZ3 4.240 . 6.680 6.178 5.274 6.741 0.061 17 0 "[ . 1 . 2]" 1
973 1 47 GLU HA 1 47 GLU QG 2.260 . 2.720 2.327 2.205 2.413 . 0 0 "[ . 1 . 2]" 1
974 1 47 GLU HA 1 50 TRP QB 2.670 . 3.550 2.380 2.046 2.940 . 0 0 "[ . 1 . 2]" 1
975 1 50 TRP H 1 50 TRP QB 2.350 . 2.900 2.231 2.158 2.266 . 0 0 "[ . 1 . 2]" 1
976 1 50 TRP QB 1 51 GLU H 2.640 . 3.490 2.458 2.295 2.604 . 0 0 "[ . 1 . 2]" 1
977 1 52 GLU HA 1 55 LYS QD 4.240 . 6.680 3.887 3.097 4.648 . 0 0 "[ . 1 . 2]" 1
978 1 55 LYS H 1 55 LYS QD 4.020 . 6.240 4.272 3.782 4.505 . 0 0 "[ . 1 . 2]" 1
979 1 56 ASN H 1 56 ASN QB 2.510 . 3.220 2.522 2.210 3.112 . 0 0 "[ . 1 . 2]" 1
980 1 56 ASN QB 1 56 ASN HD21 2.460 . 3.130 2.155 2.122 2.184 . 0 0 "[ . 1 . 2]" 1
981 1 56 ASN QB 1 56 ASN HD22 2.710 . 3.620 3.232 3.209 3.266 . 0 0 "[ . 1 . 2]" 1
982 1 56 ASN QB 1 57 PRO QD 3.860 . 5.920 3.273 2.206 3.814 . 0 0 "[ . 1 . 2]" 1
983 1 57 PRO HA 1 58 PRO QD 2.350 . 2.900 1.950 1.767 2.196 0.033 7 0 "[ . 1 . 2]" 1
984 1 57 PRO QB 1 58 PRO QD 3.080 . 4.370 2.686 2.026 3.339 . 0 0 "[ . 1 . 2]" 1
985 1 58 PRO QB 1 59 TYR H 2.570 . 3.340 2.820 2.208 3.161 . 0 0 "[ . 1 . 2]" 1
986 1 58 PRO QD 1 59 TYR H 3.610 . 5.430 4.925 4.838 5.006 . 0 0 "[ . 1 . 2]" 1
987 1 59 TYR QB 1 60 GLU H 2.860 . 3.930 3.770 3.464 3.957 0.027 1 0 "[ . 1 . 2]" 1
988 1 60 GLU H 1 60 GLU QB 2.470 . 3.140 2.360 2.221 2.888 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 42
_Distance_constraint_stats_list.Viol_count 107
_Distance_constraint_stats_list.Viol_total 155.034
_Distance_constraint_stats_list.Viol_max 1.291
_Distance_constraint_stats_list.Viol_rms 0.0852
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0092
_Distance_constraint_stats_list.Viol_average_violations_only 0.0724
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 LEU 0.013 0.009 4 0 "[ . 1 . 2]"
1 4 TYR 0.068 0.029 17 0 "[ . 1 . 2]"
1 5 ASP 0.108 0.037 6 0 "[ . 1 . 2]"
1 6 ALA 0.575 0.071 15 0 "[ . 1 . 2]"
1 7 ILE 0.369 0.046 13 0 "[ . 1 . 2]"
1 8 MET 0.068 0.029 17 0 "[ . 1 . 2]"
1 9 TYR 0.108 0.037 6 0 "[ . 1 . 2]"
1 10 LYS 0.575 0.071 15 0 "[ . 1 . 2]"
1 11 TYR 0.356 0.046 13 0 "[ . 1 . 2]"
1 17 ARG 5.269 1.291 19 4 "[ . 1 - *. *+2]"
1 19 ASP 0.263 0.117 4 0 "[ . 1 . 2]"
1 20 PHE 5.269 1.291 19 4 "[ . 1 - *. *+2]"
1 21 GLU 0.303 0.092 7 0 "[ . 1 . 2]"
1 23 ARG 0.028 0.028 13 0 "[ . 1 . 2]"
1 30 TYR 0.028 0.028 13 0 "[ . 1 . 2]"
1 32 GLU 0.303 0.092 7 0 "[ . 1 . 2]"
1 35 ASN 0.263 0.117 4 0 "[ . 1 . 2]"
1 36 LEU 0.051 0.039 10 0 "[ . 1 . 2]"
1 38 ALA 0.051 0.039 10 0 "[ . 1 . 2]"
1 42 THR 0.003 0.003 12 0 "[ . 1 . 2]"
1 43 GLN 0.024 0.024 5 0 "[ . 1 . 2]"
1 44 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 GLU 0.002 0.002 14 0 "[ . 1 . 2]"
1 46 LEU 0.197 0.063 17 0 "[ . 1 . 2]"
1 47 GLU 0.176 0.065 1 0 "[ . 1 . 2]"
1 48 THR 0.113 0.031 3 0 "[ . 1 . 2]"
1 49 TRP 0.028 0.026 5 0 "[ . 1 . 2]"
1 50 TRP 0.263 0.063 17 0 "[ . 1 . 2]"
1 51 GLU 0.287 0.065 1 0 "[ . 1 . 2]"
1 52 GLU 0.113 0.031 3 0 "[ . 1 . 2]"
1 53 LEU 0.026 0.026 5 0 "[ . 1 . 2]"
1 54 GLN 0.069 0.038 5 0 "[ . 1 . 2]"
1 55 LYS 0.135 0.047 18 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 LEU O 1 7 ILE H 2.000 . 2.300 1.878 1.791 2.077 0.009 4 0 "[ . 1 . 2]" 2
2 1 3 LEU O 1 7 ILE N 3.000 2.700 3.300 2.848 2.756 3.048 . 0 0 "[ . 1 . 2]" 2
3 1 4 TYR O 1 8 MET H 2.000 . 2.300 2.029 1.786 2.329 0.029 17 0 "[ . 1 . 2]" 2
4 1 4 TYR O 1 8 MET N 3.000 2.700 3.300 2.964 2.735 3.257 . 0 0 "[ . 1 . 2]" 2
5 1 5 ASP O 1 9 TYR H 2.000 . 2.300 2.176 1.945 2.337 0.037 6 0 "[ . 1 . 2]" 2
6 1 5 ASP O 1 9 TYR N 3.000 2.700 3.300 2.958 2.782 3.135 . 0 0 "[ . 1 . 2]" 2
7 1 6 ALA O 1 10 LYS H 2.000 . 2.300 2.306 2.086 2.371 0.071 15 0 "[ . 1 . 2]" 2
8 1 6 ALA O 1 10 LYS N 3.000 2.700 3.300 3.208 2.954 3.294 . 0 0 "[ . 1 . 2]" 2
9 1 7 ILE O 1 11 TYR H 2.000 . 2.300 1.802 1.754 1.951 0.046 13 0 "[ . 1 . 2]" 2
10 1 7 ILE O 1 11 TYR N 3.000 2.700 3.300 2.751 2.689 2.876 0.011 3 0 "[ . 1 . 2]" 2
11 1 19 ASP O 1 35 ASN H 2.000 . 2.300 2.062 1.769 2.417 0.117 4 0 "[ . 1 . 2]" 2
12 1 19 ASP O 1 35 ASN N 3.000 2.700 3.300 2.887 2.686 3.158 0.014 20 0 "[ . 1 . 2]" 2
13 1 21 GLU O 1 32 GLU H 2.000 . 2.300 2.074 1.752 2.392 0.092 7 0 "[ . 1 . 2]" 2
14 1 21 GLU O 1 32 GLU N 3.000 2.700 3.300 3.009 2.699 3.330 0.030 7 0 "[ . 1 . 2]" 2
15 1 17 ARG H 1 20 PHE O 2.000 . 2.300 2.259 1.761 3.591 1.291 19 4 "[ . 1 - *. *+2]" 2
16 1 17 ARG N 1 20 PHE O 3.000 2.700 3.300 2.887 2.648 3.387 0.087 18 0 "[ . 1 . 2]" 2
17 1 23 ARG O 1 30 TYR H 2.000 . 2.300 1.973 1.801 2.247 . 0 0 "[ . 1 . 2]" 2
18 1 23 ARG O 1 30 TYR N 3.000 2.700 3.300 2.871 2.725 3.100 . 0 0 "[ . 1 . 2]" 2
19 1 23 ARG H 1 30 TYR O 2.000 . 2.300 1.955 1.772 2.286 0.028 13 0 "[ . 1 . 2]" 2
20 1 23 ARG N 1 30 TYR O 3.000 2.700 3.300 2.893 2.720 3.188 . 0 0 "[ . 1 . 2]" 2
21 1 36 LEU O 1 38 ALA H 2.000 . 2.300 2.075 1.884 2.339 0.039 10 0 "[ . 1 . 2]" 2
22 1 36 LEU O 1 38 ALA N 3.000 2.700 3.300 2.930 2.788 3.142 . 0 0 "[ . 1 . 2]" 2
23 1 42 THR O 1 46 LEU H 2.000 . 2.300 1.873 1.797 1.964 0.003 12 0 "[ . 1 . 2]" 2
24 1 42 THR O 1 46 LEU N 3.000 2.700 3.300 2.838 2.769 2.930 . 0 0 "[ . 1 . 2]" 2
25 1 43 GLN O 1 47 GLU H 2.000 . 2.300 2.021 1.831 2.324 0.024 5 0 "[ . 1 . 2]" 2
26 1 43 GLN O 1 47 GLU N 3.000 2.700 3.300 2.978 2.803 3.249 . 0 0 "[ . 1 . 2]" 2
27 1 44 ALA O 1 48 THR H 2.000 . 2.300 2.046 1.875 2.157 . 0 0 "[ . 1 . 2]" 2
28 1 44 ALA O 1 48 THR N 3.000 2.700 3.300 2.894 2.777 3.067 . 0 0 "[ . 1 . 2]" 2
29 1 45 GLU O 1 49 TRP H 2.000 . 2.300 2.057 1.808 2.302 0.002 14 0 "[ . 1 . 2]" 2
30 1 45 GLU O 1 49 TRP N 3.000 2.700 3.300 3.006 2.760 3.237 . 0 0 "[ . 1 . 2]" 2
31 1 46 LEU O 1 50 TRP H 2.000 . 2.300 2.207 2.111 2.363 0.063 17 0 "[ . 1 . 2]" 2
32 1 46 LEU O 1 50 TRP N 3.000 2.700 3.300 3.136 3.034 3.312 0.012 17 0 "[ . 1 . 2]" 2
33 1 47 GLU O 1 51 GLU H 2.000 . 2.300 1.904 1.735 2.228 0.065 1 0 "[ . 1 . 2]" 2
34 1 47 GLU O 1 51 GLU N 3.000 2.700 3.300 2.825 2.673 3.049 0.027 1 0 "[ . 1 . 2]" 2
35 1 48 THR O 1 52 GLU H 2.000 . 2.300 1.857 1.769 2.040 0.031 3 0 "[ . 1 . 2]" 2
36 1 48 THR O 1 52 GLU N 3.000 2.700 3.300 2.812 2.721 2.990 . 0 0 "[ . 1 . 2]" 2
37 1 49 TRP O 1 53 LEU H 2.000 . 2.300 1.932 1.774 2.118 0.026 5 0 "[ . 1 . 2]" 2
38 1 49 TRP O 1 53 LEU N 3.000 2.700 3.300 2.838 2.729 3.049 . 0 0 "[ . 1 . 2]" 2
39 1 50 TRP O 1 54 GLN H 2.000 . 2.300 2.056 1.846 2.338 0.038 5 0 "[ . 1 . 2]" 2
40 1 50 TRP O 1 54 GLN N 3.000 2.700 3.300 2.927 2.748 3.190 . 0 0 "[ . 1 . 2]" 2
41 1 51 GLU O 1 55 LYS H 2.000 . 2.300 1.952 1.772 2.189 0.028 16 0 "[ . 1 . 2]" 2
42 1 51 GLU O 1 55 LYS N 3.000 2.700 3.300 2.826 2.653 3.025 0.047 18 0 "[ . 1 . 2]" 2
stop_
save_