NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
596616 |
2mw4   |
25298 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mw4
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 1417
_Distance_constraint_stats_list.Viol_count 2933
_Distance_constraint_stats_list.Viol_total 4191.418
_Distance_constraint_stats_list.Viol_max 0.407
_Distance_constraint_stats_list.Viol_rms 0.0296
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0074
_Distance_constraint_stats_list.Viol_average_violations_only 0.0715
_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 SER 0.205 0.086 19 0 "[ . 1 . 2]"
1 2 ASP 1.006 0.129 4 0 "[ . 1 . 2]"
1 3 GLY 3.200 0.108 12 0 "[ . 1 . 2]"
1 4 ASP 6.061 0.163 17 0 "[ . 1 . 2]"
1 5 VAL 7.303 0.153 20 0 "[ . 1 . 2]"
1 6 VAL 8.465 0.145 9 0 "[ . 1 . 2]"
1 7 TYR 14.271 0.264 12 0 "[ . 1 . 2]"
1 8 THR 9.142 0.171 4 0 "[ . 1 . 2]"
1 9 LEU 14.517 0.255 2 0 "[ . 1 . 2]"
1 10 ASN 5.607 0.133 15 0 "[ . 1 . 2]"
1 11 ILE 6.491 0.126 17 0 "[ . 1 . 2]"
1 12 ARG 7.936 0.233 2 0 "[ . 1 . 2]"
1 13 GLY 0.750 0.092 15 0 "[ . 1 . 2]"
1 14 LYS 4.103 0.181 11 0 "[ . 1 . 2]"
1 15 ARG 2.473 0.167 11 0 "[ . 1 . 2]"
1 16 LYS 7.651 0.192 4 0 "[ . 1 . 2]"
1 17 PHE 6.723 0.175 15 0 "[ . 1 . 2]"
1 18 GLU 2.246 0.104 3 0 "[ . 1 . 2]"
1 19 LYS 10.113 0.167 20 0 "[ . 1 . 2]"
1 20 VAL 11.933 0.275 13 0 "[ . 1 . 2]"
1 21 LYS 9.323 0.175 15 0 "[ . 1 . 2]"
1 22 GLU 1.925 0.098 20 0 "[ . 1 . 2]"
1 23 TYR 2.932 0.128 10 0 "[ . 1 . 2]"
1 24 LYS 3.220 0.128 10 0 "[ . 1 . 2]"
1 25 GLU 2.597 0.154 6 0 "[ . 1 . 2]"
1 26 ALA 5.924 0.140 11 0 "[ . 1 . 2]"
1 27 LEU 0.026 0.015 5 0 "[ . 1 . 2]"
1 28 ASP 0.019 0.010 7 0 "[ . 1 . 2]"
1 29 LEU 13.861 0.268 3 0 "[ . 1 . 2]"
1 30 LEU 2.002 0.109 6 0 "[ . 1 . 2]"
1 31 ASP 0.198 0.037 4 0 "[ . 1 . 2]"
1 32 TYR 34.046 0.407 6 0 "[ . 1 . 2]"
1 33 VAL 13.506 0.341 10 0 "[ . 1 . 2]"
1 34 GLN 4.809 0.152 16 0 "[ . 1 . 2]"
1 35 PRO 2.305 0.152 16 0 "[ . 1 . 2]"
1 36 ASP 2.726 0.103 16 0 "[ . 1 . 2]"
1 37 VAL 4.795 0.212 16 0 "[ . 1 . 2]"
1 38 LYS 3.636 0.212 16 0 "[ . 1 . 2]"
1 39 LYS 1.112 0.114 20 0 "[ . 1 . 2]"
1 40 ALA 3.655 0.119 9 0 "[ . 1 . 2]"
1 41 CYS 1.926 0.138 5 0 "[ . 1 . 2]"
1 42 CYS 1.910 0.138 5 0 "[ . 1 . 2]"
1 43 GLN 2.366 0.156 3 0 "[ . 1 . 2]"
1 44 ARG 9.368 0.235 4 0 "[ . 1 . 2]"
1 45 ASN 5.053 0.209 3 0 "[ . 1 . 2]"
1 46 GLN 5.775 0.158 2 0 "[ . 1 . 2]"
1 47 ILE 3.720 0.158 2 0 "[ . 1 . 2]"
2 4 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 7 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
2 9 LEU 3.649 0.171 4 0 "[ . 1 . 2]"
2 10 ASN 7.318 0.141 5 0 "[ . 1 . 2]"
2 11 ILE 3.651 0.105 10 0 "[ . 1 . 2]"
2 12 ARG 4.470 0.153 19 0 "[ . 1 . 2]"
2 13 GLY 3.585 0.163 17 0 "[ . 1 . 2]"
2 14 LYS 4.798 0.215 13 0 "[ . 1 . 2]"
2 15 ARG 0.205 0.038 16 0 "[ . 1 . 2]"
2 16 LYS 1.899 0.129 4 0 "[ . 1 . 2]"
2 17 PHE 8.383 0.264 12 0 "[ . 1 . 2]"
2 20 VAL 0.027 0.017 8 0 "[ . 1 . 2]"
2 21 LYS 4.593 0.255 2 0 "[ . 1 . 2]"
2 22 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 23 TYR 3.466 0.168 7 0 "[ . 1 . 2]"
2 24 LYS 4.422 0.133 4 0 "[ . 1 . 2]"
2 25 GLU 2.289 0.151 17 0 "[ . 1 . 2]"
2 27 LEU 10.916 0.275 13 0 "[ . 1 . 2]"
2 28 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
3 23 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
3 26 ALA 1.985 0.123 19 0 "[ . 1 . 2]"
3 27 LEU 0.288 0.091 9 0 "[ . 1 . 2]"
3 28 ASP 1.233 0.119 11 0 "[ . 1 . 2]"
3 30 LEU 4.657 0.154 6 0 "[ . 1 . 2]"
3 33 VAL 11.594 0.341 10 0 "[ . 1 . 2]"
3 34 GLN 0.139 0.053 11 0 "[ . 1 . 2]"
3 37 VAL 12.512 0.407 6 0 "[ . 1 . 2]"
3 38 LYS 0.165 0.040 14 0 "[ . 1 . 2]"
3 40 ALA 0.969 0.094 17 0 "[ . 1 . 2]"
3 41 CYS 2.841 0.128 14 0 "[ . 1 . 2]"
3 42 CYS 4.116 0.268 3 0 "[ . 1 . 2]"
3 44 ARG 10.813 0.240 20 0 "[ . 1 . 2]"
3 45 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
3 47 ILE 0.108 0.025 14 0 "[ . 1 . 2]"
4 10 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
4 47 ILE 9.964 0.233 2 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 SER HA 1 1 SER QB 2.630 . 2.630 2.303 2.173 2.391 . 0 0 "[ . 1 . 2]" 1
2 1 1 SER QB 1 2 ASP H 4.400 . 4.400 3.512 2.420 3.889 . 0 0 "[ . 1 . 2]" 1
3 1 1 SER HA 1 2 ASP H 3.450 . 3.450 2.950 2.229 3.536 0.086 19 0 "[ . 1 . 2]" 1
4 1 2 ASP HA 1 2 ASP QB 2.780 . 2.780 2.269 2.147 2.457 . 0 0 "[ . 1 . 2]" 1
5 1 2 ASP H 1 2 ASP QB 3.620 . 3.620 2.783 2.328 3.365 . 0 0 "[ . 1 . 2]" 1
6 1 2 ASP QB 1 3 GLY H 4.010 . 4.010 3.908 3.719 4.041 0.031 20 0 "[ . 1 . 2]" 1
7 1 2 ASP QB 1 3 GLY HA2 5.090 . 5.090 4.291 4.163 4.540 . 0 0 "[ . 1 . 2]" 1
8 1 2 ASP QB 1 3 GLY HA3 5.500 . 5.500 5.033 4.740 5.217 . 0 0 "[ . 1 . 2]" 1
9 1 2 ASP HA 1 4 ASP H 4.010 . 4.010 3.529 3.279 3.902 . 0 0 "[ . 1 . 2]" 1
10 1 2 ASP HA 1 5 VAL H 4.760 . 4.760 3.957 3.667 4.281 . 0 0 "[ . 1 . 2]" 1
11 1 2 ASP QB 1 5 VAL MG1 5.500 . 5.500 4.940 4.034 5.563 0.063 5 0 "[ . 1 . 2]" 1
12 1 2 ASP HA 1 5 VAL MG1 5.400 . 5.400 4.584 4.288 4.946 . 0 0 "[ . 1 . 2]" 1
13 1 2 ASP HA 1 5 VAL MG2 3.070 . 3.070 2.263 1.992 2.569 . 0 0 "[ . 1 . 2]" 1
14 1 2 ASP QB 1 5 VAL MG2 3.610 . 3.610 3.044 2.261 3.598 . 0 0 "[ . 1 . 2]" 1
15 1 2 ASP QB 2 14 LYS H 3.340 . 3.340 2.511 1.706 3.213 . 0 0 "[ . 1 . 2]" 1
16 1 2 ASP QB 2 14 LYS HB2 3.540 . 3.540 3.139 2.601 3.589 0.049 5 0 "[ . 1 . 2]" 1
17 1 2 ASP QB 2 14 LYS HB3 3.540 . 3.540 1.873 1.695 2.240 . 0 0 "[ . 1 . 2]" 1
18 1 2 ASP QB 2 15 ARG H 3.950 . 3.950 2.162 1.819 2.589 . 0 0 "[ . 1 . 2]" 1
19 1 2 ASP QB 2 16 LYS H 4.400 . 4.400 4.300 3.881 4.529 0.129 4 0 "[ . 1 . 2]" 1
20 1 3 GLY H 1 4 ASP H 3.650 . 3.650 1.928 1.775 2.127 . 0 0 "[ . 1 . 2]" 1
21 1 3 GLY QA 1 4 ASP H 3.370 . 3.370 2.928 2.913 2.947 . 0 0 "[ . 1 . 2]" 1
22 1 3 GLY H 1 4 ASP HB3 5.410 . 5.410 5.413 5.304 5.489 0.079 3 0 "[ . 1 . 2]" 1
23 1 3 GLY HA3 1 5 VAL H 5.060 . 5.060 4.761 4.697 4.891 . 0 0 "[ . 1 . 2]" 1
24 1 3 GLY HA2 1 5 VAL H 4.730 . 4.730 4.020 3.965 4.107 . 0 0 "[ . 1 . 2]" 1
25 1 3 GLY HA3 1 5 VAL MG2 4.940 . 4.940 4.792 4.707 4.935 . 0 0 "[ . 1 . 2]" 1
26 1 3 GLY HA2 1 5 VAL MG2 4.910 . 4.910 4.140 4.049 4.247 . 0 0 "[ . 1 . 2]" 1
27 1 3 GLY H 1 5 VAL MG2 5.060 . 5.060 3.195 2.946 3.414 . 0 0 "[ . 1 . 2]" 1
28 1 3 GLY HA3 2 13 GLY HA3 4.300 . 4.300 3.841 3.686 4.026 . 0 0 "[ . 1 . 2]" 1
29 1 3 GLY HA2 2 13 GLY HA3 4.190 . 4.190 2.173 1.979 2.388 . 0 0 "[ . 1 . 2]" 1
30 1 3 GLY H 2 14 LYS H 4.480 . 4.480 4.346 4.039 4.511 0.031 1 0 "[ . 1 . 2]" 1
31 1 3 GLY HA3 2 14 LYS H 5.500 . 5.500 5.379 5.279 5.450 . 0 0 "[ . 1 . 2]" 1
32 1 3 GLY QA 2 14 LYS H 3.860 . 3.860 3.911 3.834 3.968 0.108 12 0 "[ . 1 . 2]" 1
33 1 3 GLY HA2 2 14 LYS H 4.050 . 4.050 4.016 3.933 4.077 0.027 12 0 "[ . 1 . 2]" 1
34 1 3 GLY HA2 2 16 LYS HD2 5.210 . 5.210 5.222 4.983 5.290 0.080 10 0 "[ . 1 . 2]" 1
35 1 3 GLY QA 2 16 LYS HE2 4.160 . 4.160 4.183 4.038 4.240 0.080 17 0 "[ . 1 . 2]" 1
36 1 3 GLY QA 2 16 LYS HE3 4.160 . 4.160 3.062 2.942 3.128 . 0 0 "[ . 1 . 2]" 1
37 1 3 GLY HA3 2 16 LYS QE 5.340 . 5.340 4.123 3.936 4.264 . 0 0 "[ . 1 . 2]" 1
38 1 3 GLY HA2 2 16 LYS QE 5.270 . 5.270 3.069 2.958 3.124 . 0 0 "[ . 1 . 2]" 1
39 1 3 GLY QA 2 16 LYS QE 3.580 . 3.580 2.990 2.877 3.050 . 0 0 "[ . 1 . 2]" 1
40 1 4 ASP H 1 4 ASP HB2 3.090 . 3.090 2.591 2.489 2.715 . 0 0 "[ . 1 . 2]" 1
41 1 4 ASP H 1 4 ASP HB3 4.010 . 4.010 3.724 3.630 3.816 . 0 0 "[ . 1 . 2]" 1
42 1 4 ASP HA 1 5 VAL H 3.220 . 3.220 3.092 2.989 3.217 . 0 0 "[ . 1 . 2]" 1
43 1 4 ASP H 1 5 VAL H 3.060 . 3.060 2.191 2.043 2.278 . 0 0 "[ . 1 . 2]" 1
44 1 4 ASP HB3 1 5 VAL H 4.500 . 4.500 4.291 4.166 4.418 . 0 0 "[ . 1 . 2]" 1
45 1 4 ASP HB2 1 5 VAL H 4.140 . 4.140 3.897 3.749 4.070 . 0 0 "[ . 1 . 2]" 1
46 1 4 ASP HB3 1 5 VAL HA 5.130 . 5.130 4.568 4.403 4.777 . 0 0 "[ . 1 . 2]" 1
47 1 4 ASP HB2 1 5 VAL HA 5.370 . 5.370 4.778 4.565 5.101 . 0 0 "[ . 1 . 2]" 1
48 1 4 ASP H 1 5 VAL MG1 4.880 . 4.880 4.929 4.895 4.986 0.106 9 0 "[ . 1 . 2]" 1
49 1 4 ASP H 1 5 VAL MG2 3.810 . 3.810 2.639 2.537 2.824 . 0 0 "[ . 1 . 2]" 1
50 1 4 ASP HB2 1 5 VAL MG2 4.130 . 4.130 4.066 3.928 4.175 0.045 9 0 "[ . 1 . 2]" 1
51 1 4 ASP HA 2 12 ARG HB2 4.490 . 4.490 4.141 3.925 4.439 . 0 0 "[ . 1 . 2]" 1
52 1 4 ASP HA 2 12 ARG HB3 4.650 . 4.650 2.850 2.500 3.314 . 0 0 "[ . 1 . 2]" 1
53 1 4 ASP HA 2 12 ARG HD2 3.580 . 3.580 2.633 2.261 3.291 . 0 0 "[ . 1 . 2]" 1
54 1 4 ASP HB2 2 12 ARG HD3 4.880 . 4.880 4.311 3.955 4.481 . 0 0 "[ . 1 . 2]" 1
55 1 4 ASP HB3 2 12 ARG HE 5.470 . 5.470 5.493 5.062 5.623 0.153 19 0 "[ . 1 . 2]" 1
56 1 4 ASP HA 2 12 ARG QD 3.510 . 3.510 2.316 2.123 2.521 . 0 0 "[ . 1 . 2]" 1
57 1 4 ASP HB3 2 12 ARG QD 4.270 . 4.270 2.713 2.588 2.971 . 0 0 "[ . 1 . 2]" 1
58 1 4 ASP HB2 2 12 ARG QD 4.890 . 4.890 4.054 3.858 4.261 . 0 0 "[ . 1 . 2]" 1
59 1 4 ASP H 2 12 ARG QG 4.280 . 4.280 4.157 4.049 4.338 0.058 12 0 "[ . 1 . 2]" 1
60 1 4 ASP HB2 2 12 ARG QG 4.710 . 4.710 4.228 4.060 4.398 . 0 0 "[ . 1 . 2]" 1
61 1 4 ASP HA 2 12 ARG QG 3.470 . 3.470 1.870 1.727 2.075 . 0 0 "[ . 1 . 2]" 1
62 1 4 ASP HB3 2 12 ARG QG 3.890 . 3.890 3.317 3.164 3.475 . 0 0 "[ . 1 . 2]" 1
63 1 4 ASP HB2 2 13 GLY H 5.500 . 5.500 5.618 5.575 5.663 0.163 17 0 "[ . 1 . 2]" 1
64 1 4 ASP HB3 2 13 GLY H 5.500 . 5.500 5.515 5.445 5.556 0.056 5 0 "[ . 1 . 2]" 1
65 1 4 ASP H 2 13 GLY H 5.500 . 5.500 4.038 3.829 4.164 . 0 0 "[ . 1 . 2]" 1
66 1 4 ASP HA 2 13 GLY HA2 4.220 . 4.220 4.058 3.877 4.252 0.032 12 0 "[ . 1 . 2]" 1
67 1 4 ASP HB2 2 13 GLY HA2 5.320 . 5.320 5.319 5.229 5.364 0.044 10 0 "[ . 1 . 2]" 1
68 1 5 VAL H 1 5 VAL HB 3.070 . 3.070 2.977 2.888 3.086 0.016 20 0 "[ . 1 . 2]" 1
69 1 5 VAL H 1 5 VAL MG1 3.900 . 3.900 3.720 3.610 3.771 . 0 0 "[ . 1 . 2]" 1
70 1 5 VAL HA 1 5 VAL MG1 2.890 . 2.890 2.173 2.110 2.197 . 0 0 "[ . 1 . 2]" 1
71 1 5 VAL HA 1 5 VAL MG2 2.970 . 2.970 2.767 2.711 2.841 . 0 0 "[ . 1 . 2]" 1
72 1 5 VAL H 1 5 VAL MG2 2.760 . 2.760 1.759 1.695 1.844 . 0 0 "[ . 1 . 2]" 1
73 1 5 VAL HA 1 6 VAL H 2.640 . 2.640 2.157 2.135 2.192 . 0 0 "[ . 1 . 2]" 1
74 1 5 VAL HB 1 6 VAL H 4.180 . 4.180 4.092 4.025 4.147 . 0 0 "[ . 1 . 2]" 1
75 1 5 VAL H 1 6 VAL H 4.360 . 4.360 4.287 4.201 4.340 . 0 0 "[ . 1 . 2]" 1
76 1 5 VAL MG1 1 6 VAL H 3.460 . 3.460 3.243 3.125 3.479 0.019 20 0 "[ . 1 . 2]" 1
77 1 5 VAL HA 1 6 VAL HA 4.500 . 4.500 4.415 4.388 4.459 . 0 0 "[ . 1 . 2]" 1
78 1 5 VAL HA 1 6 VAL HB 4.610 . 4.610 4.664 4.637 4.685 0.075 5 0 "[ . 1 . 2]" 1
79 1 5 VAL HA 1 6 VAL MG2 3.950 . 3.950 3.687 3.620 3.824 . 0 0 "[ . 1 . 2]" 1
80 1 5 VAL MG1 1 7 TYR H 5.150 . 5.150 5.130 5.060 5.214 0.064 20 0 "[ . 1 . 2]" 1
81 1 5 VAL HA 1 7 TYR H 5.400 . 5.400 5.460 5.420 5.485 0.085 12 0 "[ . 1 . 2]" 1
82 1 5 VAL HA 1 7 TYR QD 4.870 . 4.870 4.688 4.585 4.927 0.057 20 0 "[ . 1 . 2]" 1
83 1 5 VAL MG2 1 7 TYR QD 5.070 . 5.070 4.696 4.555 4.787 . 0 0 "[ . 1 . 2]" 1
84 1 5 VAL MG1 1 7 TYR QD 3.780 . 3.780 3.191 3.049 3.462 . 0 0 "[ . 1 . 2]" 1
85 1 5 VAL HB 1 7 TYR QE 3.220 . 3.220 2.936 2.797 3.188 . 0 0 "[ . 1 . 2]" 1
86 1 5 VAL H 1 7 TYR QE 5.500 . 5.500 5.578 5.496 5.653 0.153 20 0 "[ . 1 . 2]" 1
87 1 5 VAL MG1 1 7 TYR QE 3.380 . 3.380 1.903 1.830 2.115 . 0 0 "[ . 1 . 2]" 1
88 1 5 VAL MG2 1 7 TYR QE 3.870 . 3.870 3.865 3.731 3.931 0.061 7 0 "[ . 1 . 2]" 1
89 1 5 VAL HA 1 7 TYR QE 4.440 . 4.440 4.410 4.328 4.493 0.053 20 0 "[ . 1 . 2]" 1
90 1 5 VAL H 2 12 ARG HA 4.390 . 4.390 3.966 3.790 4.160 . 0 0 "[ . 1 . 2]" 1
91 1 5 VAL MG1 2 12 ARG HA 5.470 . 5.470 5.343 5.218 5.459 . 0 0 "[ . 1 . 2]" 1
92 1 5 VAL HA 2 12 ARG QG 4.810 . 4.810 3.757 3.575 3.979 . 0 0 "[ . 1 . 2]" 1
93 1 5 VAL H 2 12 ARG QG 3.660 . 3.660 3.272 3.078 3.554 . 0 0 "[ . 1 . 2]" 1
94 1 5 VAL MG2 2 13 GLY H 3.200 . 3.200 3.211 3.070 3.269 0.069 17 0 "[ . 1 . 2]" 1
95 1 5 VAL HB 2 13 GLY H 3.930 . 3.930 3.196 3.083 3.281 . 0 0 "[ . 1 . 2]" 1
96 1 5 VAL H 2 13 GLY H 4.650 . 4.650 2.180 2.005 2.387 . 0 0 "[ . 1 . 2]" 1
97 1 5 VAL MG1 2 13 GLY H 4.460 . 4.460 4.390 4.297 4.458 . 0 0 "[ . 1 . 2]" 1
98 1 5 VAL H 2 13 GLY HA2 3.260 . 3.260 2.146 2.034 2.284 . 0 0 "[ . 1 . 2]" 1
99 1 5 VAL MG2 2 13 GLY HA2 2.880 . 2.880 2.378 2.210 2.529 . 0 0 "[ . 1 . 2]" 1
100 1 5 VAL HB 2 13 GLY HA3 5.230 . 5.230 5.113 4.954 5.253 0.023 6 0 "[ . 1 . 2]" 1
101 1 5 VAL MG1 2 14 LYS H 4.180 . 4.180 4.244 4.212 4.281 0.101 7 0 "[ . 1 . 2]" 1
102 1 5 VAL MG2 2 14 LYS H 3.970 . 3.970 2.179 1.906 2.428 . 0 0 "[ . 1 . 2]" 1
103 1 5 VAL H 2 14 LYS H 5.220 . 5.220 3.285 3.087 3.490 . 0 0 "[ . 1 . 2]" 1
104 1 5 VAL HB 2 14 LYS H 4.000 . 4.000 3.027 2.893 3.293 . 0 0 "[ . 1 . 2]" 1
105 1 6 VAL H 1 6 VAL HB 3.040 . 3.040 2.583 2.558 2.622 . 0 0 "[ . 1 . 2]" 1
106 1 6 VAL HA 1 6 VAL MG1 2.930 . 2.930 2.388 2.358 2.415 . 0 0 "[ . 1 . 2]" 1
107 1 6 VAL H 1 6 VAL MG1 3.940 . 3.940 3.776 3.768 3.788 . 0 0 "[ . 1 . 2]" 1
108 1 6 VAL H 1 6 VAL MG2 2.950 . 2.950 2.025 1.940 2.159 . 0 0 "[ . 1 . 2]" 1
109 1 6 VAL HA 1 6 VAL MG2 3.010 . 3.010 2.392 2.338 2.424 . 0 0 "[ . 1 . 2]" 1
110 1 6 VAL HB 1 7 TYR H 4.610 . 4.610 4.379 4.361 4.401 . 0 0 "[ . 1 . 2]" 1
111 1 6 VAL H 1 7 TYR H 4.620 . 4.620 4.305 4.277 4.325 . 0 0 "[ . 1 . 2]" 1
112 1 6 VAL HA 1 7 TYR H 3.010 . 3.010 2.130 2.101 2.148 . 0 0 "[ . 1 . 2]" 1
113 1 6 VAL MG2 1 7 TYR H 4.410 . 4.410 4.166 4.138 4.192 . 0 0 "[ . 1 . 2]" 1
114 1 6 VAL MG1 1 7 TYR H 3.140 . 3.140 3.166 3.149 3.191 0.051 10 0 "[ . 1 . 2]" 1
115 1 6 VAL MG1 1 7 TYR HA 4.400 . 4.400 3.709 3.643 3.769 . 0 0 "[ . 1 . 2]" 1
116 1 6 VAL MG1 1 7 TYR QD 4.750 . 4.750 4.248 4.174 4.320 . 0 0 "[ . 1 . 2]" 1
117 1 6 VAL MG1 1 8 THR H 4.440 . 4.440 3.295 3.159 3.387 . 0 0 "[ . 1 . 2]" 1
118 1 6 VAL MG1 1 8 THR HA 4.300 . 4.300 3.948 3.894 4.036 . 0 0 "[ . 1 . 2]" 1
119 1 6 VAL MG1 1 8 THR HB 4.600 . 4.600 4.632 4.585 4.676 0.076 1 0 "[ . 1 . 2]" 1
120 1 6 VAL MG2 2 10 ASN HA 5.500 . 5.500 5.606 5.549 5.641 0.141 5 0 "[ . 1 . 2]" 1
121 1 6 VAL MG1 2 10 ASN HA 3.370 . 3.370 3.448 3.406 3.492 0.122 7 0 "[ . 1 . 2]" 1
122 1 6 VAL MG1 2 10 ASN HB2 3.850 . 3.850 3.642 3.499 3.745 . 0 0 "[ . 1 . 2]" 1
123 1 6 VAL MG2 2 10 ASN HB3 4.200 . 4.200 4.036 3.934 4.102 . 0 0 "[ . 1 . 2]" 1
124 1 6 VAL MG1 2 10 ASN HB3 3.000 . 3.000 2.190 2.101 2.272 . 0 0 "[ . 1 . 2]" 1
125 1 6 VAL HA 2 11 ILE H 4.630 . 4.630 4.534 4.438 4.636 0.006 17 0 "[ . 1 . 2]" 1
126 1 6 VAL MG1 2 11 ILE H 4.040 . 4.040 3.942 3.847 4.034 . 0 0 "[ . 1 . 2]" 1
127 1 6 VAL HA 2 12 ARG H 4.090 . 4.090 4.026 3.878 4.087 . 0 0 "[ . 1 . 2]" 1
128 1 6 VAL MG1 2 12 ARG H 4.810 . 4.810 4.536 4.421 4.634 . 0 0 "[ . 1 . 2]" 1
129 1 6 VAL HA 2 12 ARG HA 3.100 . 3.100 2.103 2.058 2.152 . 0 0 "[ . 1 . 2]" 1
130 1 6 VAL H 2 12 ARG HA 4.200 . 4.200 3.838 3.751 3.888 . 0 0 "[ . 1 . 2]" 1
131 1 6 VAL HB 2 12 ARG HA 5.160 . 5.160 4.979 4.920 5.023 . 0 0 "[ . 1 . 2]" 1
132 1 6 VAL MG1 2 12 ARG HA 4.150 . 4.150 3.940 3.878 3.994 . 0 0 "[ . 1 . 2]" 1
133 1 6 VAL MG2 2 12 ARG HA 3.610 . 3.610 3.365 3.236 3.453 . 0 0 "[ . 1 . 2]" 1
134 1 6 VAL HA 2 12 ARG HB2 4.080 . 4.080 3.971 3.812 4.167 0.087 12 0 "[ . 1 . 2]" 1
135 1 6 VAL HA 2 12 ARG HB3 4.750 . 4.750 4.731 4.671 4.790 0.040 13 0 "[ . 1 . 2]" 1
136 1 6 VAL MG2 2 12 ARG HD3 3.940 . 3.940 3.518 3.253 3.975 0.035 17 0 "[ . 1 . 2]" 1
137 1 6 VAL MG2 2 12 ARG HE 4.480 . 4.480 2.923 2.553 3.187 . 0 0 "[ . 1 . 2]" 1
138 1 6 VAL MG1 2 12 ARG HE 4.360 . 4.360 4.462 4.357 4.505 0.145 9 0 "[ . 1 . 2]" 1
139 1 6 VAL MG1 2 12 ARG QD 5.490 . 5.490 5.241 5.056 5.442 . 0 0 "[ . 1 . 2]" 1
140 1 6 VAL H 2 12 ARG QD 5.090 . 5.090 4.763 4.487 5.119 0.029 2 0 "[ . 1 . 2]" 1
141 1 6 VAL MG2 2 12 ARG QD 3.880 . 3.880 3.362 3.153 3.678 . 0 0 "[ . 1 . 2]" 1
142 1 6 VAL H 2 12 ARG QG 3.930 . 3.930 3.236 3.115 3.381 . 0 0 "[ . 1 . 2]" 1
143 1 6 VAL MG1 2 12 ARG QG 3.830 . 3.830 3.637 3.410 3.868 0.038 17 0 "[ . 1 . 2]" 1
144 1 6 VAL MG2 2 12 ARG QG 3.110 . 3.110 1.954 1.830 2.144 . 0 0 "[ . 1 . 2]" 1
145 1 6 VAL HA 2 12 ARG QG 3.650 . 3.650 2.720 2.619 2.809 . 0 0 "[ . 1 . 2]" 1
146 1 6 VAL H 2 13 GLY H 5.490 . 5.490 4.100 4.023 4.171 . 0 0 "[ . 1 . 2]" 1
147 1 6 VAL HA 2 13 GLY H 3.850 . 3.850 3.604 3.524 3.675 . 0 0 "[ . 1 . 2]" 1
148 1 6 VAL H 3 47 ILE MD 4.200 . 4.200 4.178 4.065 4.225 0.025 14 0 "[ . 1 . 2]" 1
149 1 6 VAL HA 3 47 ILE MD 3.850 . 3.850 2.447 2.243 2.522 . 0 0 "[ . 1 . 2]" 1
150 1 6 VAL MG1 3 47 ILE MD 2.770 . 2.770 1.822 1.718 1.973 . 0 0 "[ . 1 . 2]" 1
151 1 7 TYR H 1 7 TYR HB2 3.800 . 3.800 2.432 2.385 2.464 . 0 0 "[ . 1 . 2]" 1
152 1 7 TYR H 1 7 TYR HB3 3.700 . 3.700 3.638 3.603 3.660 . 0 0 "[ . 1 . 2]" 1
153 1 7 TYR H 1 7 TYR QD 3.710 . 3.710 3.118 3.008 3.416 . 0 0 "[ . 1 . 2]" 1
154 1 7 TYR HA 1 7 TYR QD 3.370 . 3.370 2.150 1.844 2.275 . 0 0 "[ . 1 . 2]" 1
155 1 7 TYR HA 1 7 TYR QE 4.320 . 4.320 4.292 4.175 4.332 0.012 5 0 "[ . 1 . 2]" 1
156 1 7 TYR QD 1 8 THR H 4.120 . 4.120 4.070 3.768 4.163 0.043 9 0 "[ . 1 . 2]" 1
157 1 7 TYR HA 1 8 THR H 2.860 . 2.860 2.111 2.084 2.145 . 0 0 "[ . 1 . 2]" 1
158 1 7 TYR HB2 1 8 THR H 4.630 . 4.630 4.499 4.477 4.514 . 0 0 "[ . 1 . 2]" 1
159 1 7 TYR H 1 8 THR H 4.830 . 4.830 3.993 3.907 4.034 . 0 0 "[ . 1 . 2]" 1
160 1 7 TYR HB3 1 8 THR H 4.090 . 4.090 3.855 3.805 3.925 . 0 0 "[ . 1 . 2]" 1
161 1 7 TYR HA 1 8 THR HA 4.840 . 4.840 4.435 4.414 4.462 . 0 0 "[ . 1 . 2]" 1
162 1 7 TYR HA 1 8 THR HB 4.680 . 4.680 4.432 4.328 4.541 . 0 0 "[ . 1 . 2]" 1
163 1 7 TYR H 2 10 ASN HA 4.410 . 4.410 4.469 4.440 4.494 0.084 20 0 "[ . 1 . 2]" 1
164 1 7 TYR H 2 11 ILE H 4.000 . 4.000 3.238 3.141 3.308 . 0 0 "[ . 1 . 2]" 1
165 1 7 TYR HB2 2 11 ILE H 5.330 . 5.330 3.935 3.857 4.030 . 0 0 "[ . 1 . 2]" 1
166 1 7 TYR HB3 2 11 ILE H 5.470 . 5.470 4.489 4.411 4.563 . 0 0 "[ . 1 . 2]" 1
167 1 7 TYR HA 2 11 ILE H 4.730 . 4.730 4.588 4.502 4.645 . 0 0 "[ . 1 . 2]" 1
168 1 7 TYR H 2 11 ILE HA 4.500 . 4.500 4.520 4.456 4.553 0.053 10 0 "[ . 1 . 2]" 1
169 1 7 TYR QD 2 11 ILE HB 5.140 . 5.140 4.936 4.768 5.054 . 0 0 "[ . 1 . 2]" 1
170 1 7 TYR H 2 11 ILE HB 4.070 . 4.070 3.736 3.661 3.805 . 0 0 "[ . 1 . 2]" 1
171 1 7 TYR H 2 11 ILE MD 5.330 . 5.330 5.274 5.181 5.356 0.026 17 0 "[ . 1 . 2]" 1
172 1 7 TYR QD 2 11 ILE MG 4.810 . 4.810 4.819 4.599 4.874 0.064 13 0 "[ . 1 . 2]" 1
173 1 7 TYR H 2 11 ILE MG 4.300 . 4.300 4.115 4.044 4.160 . 0 0 "[ . 1 . 2]" 1
174 1 7 TYR QD 2 12 ARG HA 5.200 . 5.200 4.962 4.753 5.256 0.056 20 0 "[ . 1 . 2]" 1
175 1 7 TYR H 2 12 ARG HA 3.680 . 3.680 2.865 2.796 2.903 . 0 0 "[ . 1 . 2]" 1
176 1 7 TYR H 2 12 ARG QG 4.320 . 4.320 4.346 4.230 4.414 0.094 13 0 "[ . 1 . 2]" 1
177 1 7 TYR H 2 13 GLY H 4.760 . 4.760 3.787 3.686 3.856 . 0 0 "[ . 1 . 2]" 1
178 1 7 TYR QE 2 14 LYS H 4.560 . 4.560 4.599 4.276 4.697 0.137 17 0 "[ . 1 . 2]" 1
179 1 7 TYR QD 2 14 LYS HA 4.000 . 4.000 2.662 2.305 2.790 . 0 0 "[ . 1 . 2]" 1
180 1 7 TYR QE 2 14 LYS HA 3.340 . 3.340 2.670 2.131 2.894 . 0 0 "[ . 1 . 2]" 1
181 1 7 TYR QE 2 14 LYS HB2 3.490 . 3.490 2.903 2.556 3.145 . 0 0 "[ . 1 . 2]" 1
182 1 7 TYR QE 2 14 LYS HB3 4.470 . 4.470 4.100 3.802 4.269 . 0 0 "[ . 1 . 2]" 1
183 1 7 TYR QD 2 14 LYS HD2 4.980 . 4.980 4.895 4.473 5.050 0.070 20 0 "[ . 1 . 2]" 1
184 1 7 TYR QE 2 14 LYS HD2 3.820 . 3.820 2.680 2.181 2.828 . 0 0 "[ . 1 . 2]" 1
185 1 7 TYR QE 2 14 LYS HD3 4.000 . 4.000 4.022 3.679 4.083 0.083 2 0 "[ . 1 . 2]" 1
186 1 7 TYR QE 2 14 LYS HG2 4.160 . 4.160 3.542 3.464 3.765 . 0 0 "[ . 1 . 2]" 1
187 1 7 TYR QE 2 14 LYS HG3 4.090 . 4.090 1.823 1.731 2.115 . 0 0 "[ . 1 . 2]" 1
188 1 7 TYR QD 2 14 LYS HG3 4.740 . 4.740 3.434 3.290 3.592 . 0 0 "[ . 1 . 2]" 1
189 1 7 TYR QD 2 14 LYS QE 5.340 . 5.340 4.978 4.510 5.555 0.215 13 0 "[ . 1 . 2]" 1
190 1 7 TYR QE 2 14 LYS QE 3.690 . 3.690 3.088 2.453 3.706 0.016 13 0 "[ . 1 . 2]" 1
191 1 7 TYR QE 2 15 ARG H 5.500 . 5.500 5.468 5.140 5.538 0.038 16 0 "[ . 1 . 2]" 1
192 1 7 TYR HB2 2 17 PHE H 4.280 . 4.280 4.326 4.261 4.374 0.094 7 0 "[ . 1 . 2]" 1
193 1 7 TYR QD 2 17 PHE HA 4.930 . 4.930 4.834 4.595 4.930 0.000 18 0 "[ . 1 . 2]" 1
194 1 7 TYR HB3 2 17 PHE HA 4.930 . 4.930 4.831 4.733 4.945 0.015 7 0 "[ . 1 . 2]" 1
195 1 7 TYR QD 2 17 PHE HB2 4.850 . 4.850 3.058 2.699 3.153 . 0 0 "[ . 1 . 2]" 1
196 1 7 TYR HB2 2 17 PHE HB2 4.650 . 4.650 2.088 2.019 2.142 . 0 0 "[ . 1 . 2]" 1
197 1 7 TYR QE 2 17 PHE HB3 4.290 . 4.290 3.997 3.800 4.136 . 0 0 "[ . 1 . 2]" 1
198 1 7 TYR H 2 17 PHE HB3 5.500 . 5.500 5.339 5.196 5.490 . 0 0 "[ . 1 . 2]" 1
199 1 7 TYR QD 2 17 PHE HB3 3.870 . 3.870 2.217 1.835 2.399 . 0 0 "[ . 1 . 2]" 1
200 1 7 TYR HB2 2 17 PHE HB3 4.520 . 4.520 3.076 2.968 3.176 . 0 0 "[ . 1 . 2]" 1
201 1 7 TYR HB3 2 17 PHE HZ 5.500 . 5.500 4.168 3.938 4.353 . 0 0 "[ . 1 . 2]" 1
202 1 7 TYR QD 2 17 PHE HZ 5.330 . 5.330 4.894 4.661 5.321 . 0 0 "[ . 1 . 2]" 1
203 1 7 TYR HB2 2 17 PHE QD 4.360 . 4.360 2.856 2.790 2.925 . 0 0 "[ . 1 . 2]" 1
204 1 7 TYR HB3 2 17 PHE QD 4.120 . 4.120 2.536 2.374 2.710 . 0 0 "[ . 1 . 2]" 1
205 1 7 TYR HA 2 17 PHE QD 4.590 . 4.590 4.510 4.435 4.585 . 0 0 "[ . 1 . 2]" 1
206 1 7 TYR HB2 2 17 PHE QE 5.120 . 5.120 4.394 4.217 4.513 . 0 0 "[ . 1 . 2]" 1
207 1 7 TYR HB3 2 17 PHE QE 4.820 . 4.820 3.195 3.151 3.265 . 0 0 "[ . 1 . 2]" 1
208 1 7 TYR QD 2 17 PHE QE 4.140 . 4.140 3.697 3.554 4.139 . 0 0 "[ . 1 . 2]" 1
209 1 7 TYR HA 2 17 PHE QE 4.560 . 4.560 4.761 4.700 4.824 0.264 12 0 "[ . 1 . 2]" 1
210 1 7 TYR H 3 47 ILE MD 4.060 . 4.060 3.499 3.324 3.596 . 0 0 "[ . 1 . 2]" 1
211 1 8 THR H 1 8 THR HB 3.270 . 3.270 2.426 2.324 2.538 . 0 0 "[ . 1 . 2]" 1
212 1 8 THR HA 1 8 THR MG 2.890 . 2.890 2.417 2.369 2.456 . 0 0 "[ . 1 . 2]" 1
213 1 8 THR H 1 8 THR MG 3.760 . 3.760 3.710 3.692 3.726 . 0 0 "[ . 1 . 2]" 1
214 1 8 THR H 1 9 LEU H 4.740 . 4.740 4.564 4.551 4.577 . 0 0 "[ . 1 . 2]" 1
215 1 8 THR MG 1 9 LEU H 3.010 . 3.010 2.552 2.466 2.627 . 0 0 "[ . 1 . 2]" 1
216 1 8 THR HA 1 9 LEU H 3.000 . 3.000 2.157 2.142 2.173 . 0 0 "[ . 1 . 2]" 1
217 1 8 THR HB 1 9 LEU H 4.300 . 4.300 4.122 4.073 4.194 . 0 0 "[ . 1 . 2]" 1
218 1 8 THR HB 1 9 LEU HA 5.320 . 5.320 4.763 4.656 4.871 . 0 0 "[ . 1 . 2]" 1
219 1 8 THR MG 1 9 LEU HA 3.910 . 3.910 3.521 3.413 3.621 . 0 0 "[ . 1 . 2]" 1
220 1 8 THR H 1 9 LEU HA 5.500 . 5.500 5.487 5.450 5.520 0.020 15 0 "[ . 1 . 2]" 1
221 1 8 THR HA 1 9 LEU HB2 4.650 . 4.650 4.257 4.214 4.305 . 0 0 "[ . 1 . 2]" 1
222 1 8 THR HA 1 9 LEU HB3 4.690 . 4.690 4.671 4.636 4.720 0.030 7 0 "[ . 1 . 2]" 1
223 1 8 THR MG 1 10 ASN HA 3.700 . 3.700 3.778 3.737 3.822 0.122 8 0 "[ . 1 . 2]" 1
224 1 8 THR MG 1 10 ASN HB2 5.040 . 5.040 4.450 4.289 4.693 . 0 0 "[ . 1 . 2]" 1
225 1 8 THR MG 1 10 ASN HB3 4.970 . 4.970 4.699 4.529 4.926 . 0 0 "[ . 1 . 2]" 1
226 1 8 THR MG 1 11 ILE H 5.500 . 5.500 5.373 5.308 5.434 . 0 0 "[ . 1 . 2]" 1
227 1 8 THR HA 2 9 LEU H 4.010 . 4.010 4.159 4.123 4.181 0.171 4 0 "[ . 1 . 2]" 1
228 1 8 THR MG 2 9 LEU H 3.220 . 3.220 3.243 3.172 3.268 0.048 19 0 "[ . 1 . 2]" 1
229 1 8 THR MG 2 10 ASN H 4.400 . 4.400 4.192 4.050 4.392 . 0 0 "[ . 1 . 2]" 1
230 1 8 THR HA 2 10 ASN H 4.250 . 4.250 4.148 4.097 4.215 . 0 0 "[ . 1 . 2]" 1
231 1 8 THR HB 2 10 ASN HA 4.570 . 4.570 4.687 4.656 4.708 0.138 17 0 "[ . 1 . 2]" 1
232 1 8 THR MG 2 10 ASN HA 4.030 . 4.030 3.420 3.277 3.598 . 0 0 "[ . 1 . 2]" 1
233 1 8 THR H 2 10 ASN HA 4.080 . 4.080 4.040 3.975 4.088 0.008 8 0 "[ . 1 . 2]" 1
234 1 8 THR HA 2 10 ASN HA 3.580 . 3.580 1.871 1.802 1.918 . 0 0 "[ . 1 . 2]" 1
235 1 8 THR HA 2 10 ASN HB2 4.810 . 4.810 4.768 4.652 4.849 0.039 13 0 "[ . 1 . 2]" 1
236 1 8 THR HA 2 10 ASN HB3 4.710 . 4.710 3.961 3.830 4.087 . 0 0 "[ . 1 . 2]" 1
237 1 8 THR MG 2 11 ILE H 5.500 . 5.500 4.818 4.738 4.904 . 0 0 "[ . 1 . 2]" 1
238 1 8 THR HA 2 11 ILE H 3.190 . 3.190 2.920 2.884 2.963 . 0 0 "[ . 1 . 2]" 1
239 1 8 THR H 2 11 ILE H 5.500 . 5.500 4.260 4.170 4.321 . 0 0 "[ . 1 . 2]" 1
240 1 8 THR HA 2 11 ILE HG13 4.850 . 4.850 4.647 4.504 4.774 . 0 0 "[ . 1 . 2]" 1
241 1 8 THR HA 2 11 ILE MD 4.500 . 4.500 4.536 4.496 4.574 0.074 18 0 "[ . 1 . 2]" 1
242 1 8 THR HB 2 17 PHE QE 5.500 . 5.500 5.245 5.066 5.407 . 0 0 "[ . 1 . 2]" 1
243 1 8 THR H 2 17 PHE QE 5.270 . 5.270 4.677 4.505 4.878 . 0 0 "[ . 1 . 2]" 1
244 1 9 LEU H 1 9 LEU HB2 3.650 . 3.650 2.898 2.859 2.941 . 0 0 "[ . 1 . 2]" 1
245 1 9 LEU H 1 9 LEU HB3 3.660 . 3.660 2.747 2.713 2.778 . 0 0 "[ . 1 . 2]" 1
246 1 9 LEU H 1 9 LEU HG 5.080 . 5.080 4.587 4.572 4.610 . 0 0 "[ . 1 . 2]" 1
247 1 9 LEU HA 1 9 LEU MD1 3.190 . 3.190 1.968 1.935 1.999 . 0 0 "[ . 1 . 2]" 1
248 1 9 LEU HB3 1 9 LEU MD1 3.320 . 3.320 3.183 3.175 3.190 . 0 0 "[ . 1 . 2]" 1
249 1 9 LEU HB2 1 9 LEU MD1 2.850 . 2.850 2.353 2.333 2.377 . 0 0 "[ . 1 . 2]" 1
250 1 9 LEU HB2 1 9 LEU MD2 3.380 . 3.380 2.440 2.426 2.459 . 0 0 "[ . 1 . 2]" 1
251 1 9 LEU HA 1 9 LEU MD2 4.000 . 4.000 3.870 3.854 3.879 . 0 0 "[ . 1 . 2]" 1
252 1 9 LEU HB3 1 9 LEU MD2 2.970 . 2.970 2.257 2.237 2.278 . 0 0 "[ . 1 . 2]" 1
253 1 9 LEU HB2 1 10 ASN H 4.800 . 4.800 4.627 4.609 4.655 . 0 0 "[ . 1 . 2]" 1
254 1 9 LEU HG 1 10 ASN H 4.670 . 4.670 3.983 3.859 4.060 . 0 0 "[ . 1 . 2]" 1
255 1 9 LEU MD1 1 10 ASN H 3.770 . 3.770 3.650 3.559 3.722 . 0 0 "[ . 1 . 2]" 1
256 1 9 LEU HA 1 10 ASN H 2.990 . 2.990 2.273 2.252 2.304 . 0 0 "[ . 1 . 2]" 1
257 1 9 LEU HB3 1 10 ASN H 4.700 . 4.700 4.399 4.382 4.421 . 0 0 "[ . 1 . 2]" 1
258 1 9 LEU HB3 1 10 ASN HA 5.500 . 5.500 4.969 4.919 5.037 . 0 0 "[ . 1 . 2]" 1
259 1 9 LEU MD1 1 10 ASN HA 5.500 . 5.500 5.519 5.463 5.570 0.070 15 0 "[ . 1 . 2]" 1
260 1 9 LEU HA 1 10 ASN HB2 5.030 . 5.030 4.720 4.616 4.810 . 0 0 "[ . 1 . 2]" 1
261 1 9 LEU HA 1 11 ILE H 5.500 . 5.500 5.442 5.304 5.522 0.022 5 0 "[ . 1 . 2]" 1
262 1 9 LEU MD2 1 11 ILE HA 5.160 . 5.160 5.085 4.946 5.162 0.002 1 0 "[ . 1 . 2]" 1
263 1 9 LEU MD1 1 11 ILE HA 5.500 . 5.500 5.299 5.143 5.408 . 0 0 "[ . 1 . 2]" 1
264 1 9 LEU HG 1 11 ILE HA 4.870 . 4.870 4.367 4.199 4.478 . 0 0 "[ . 1 . 2]" 1
265 1 9 LEU MD2 1 23 TYR QD 5.500 . 5.500 5.282 5.193 5.373 . 0 0 "[ . 1 . 2]" 1
266 1 9 LEU H 2 9 LEU HG 5.500 . 5.500 4.931 4.837 4.974 . 0 0 "[ . 1 . 2]" 1
267 1 9 LEU HB2 2 9 LEU MD2 4.140 . 4.140 4.033 3.961 4.140 0.000 5 0 "[ . 1 . 2]" 1
268 1 9 LEU HG 2 9 LEU MD2 4.400 . 4.400 4.396 4.324 4.426 0.026 13 0 "[ . 1 . 2]" 1
269 1 9 LEU HB3 2 9 LEU MD2 4.120 . 4.120 3.081 3.005 3.146 . 0 0 "[ . 1 . 2]" 1
270 1 9 LEU H 2 9 LEU MD2 4.980 . 4.980 4.892 4.796 4.934 . 0 0 "[ . 1 . 2]" 1
271 1 9 LEU HB3 2 10 ASN HA 5.500 . 5.500 5.250 5.139 5.351 . 0 0 "[ . 1 . 2]" 1
272 1 9 LEU HB2 2 10 ASN HA 5.500 . 5.500 5.090 4.946 5.246 . 0 0 "[ . 1 . 2]" 1
273 1 9 LEU H 2 10 ASN HA 3.570 . 3.570 3.193 3.084 3.273 . 0 0 "[ . 1 . 2]" 1
274 1 9 LEU H 2 11 ILE H 4.740 . 4.740 3.803 3.722 3.899 . 0 0 "[ . 1 . 2]" 1
275 1 9 LEU HG 2 11 ILE MD 4.010 . 4.010 4.024 3.972 4.054 0.044 10 0 "[ . 1 . 2]" 1
276 1 9 LEU HA 2 11 ILE MD 4.360 . 4.360 4.274 4.215 4.323 . 0 0 "[ . 1 . 2]" 1
277 1 9 LEU H 2 11 ILE MD 3.680 . 3.680 3.761 3.736 3.785 0.105 10 0 "[ . 1 . 2]" 1
278 1 9 LEU HB2 2 11 ILE MD 3.770 . 3.770 1.976 1.931 2.033 . 0 0 "[ . 1 . 2]" 1
279 1 9 LEU HB3 2 11 ILE MD 3.010 . 3.010 2.584 2.499 2.643 . 0 0 "[ . 1 . 2]" 1
280 1 9 LEU MD2 2 17 PHE HA 4.200 . 4.200 4.270 4.226 4.318 0.118 7 0 "[ . 1 . 2]" 1
281 1 9 LEU HA 2 17 PHE HZ 4.780 . 4.780 4.220 3.858 4.536 . 0 0 "[ . 1 . 2]" 1
282 1 9 LEU HB2 2 17 PHE HZ 4.630 . 4.630 4.494 4.223 4.670 0.040 5 0 "[ . 1 . 2]" 1
283 1 9 LEU MD1 2 17 PHE HZ 3.480 . 3.480 2.659 2.492 2.764 . 0 0 "[ . 1 . 2]" 1
284 1 9 LEU MD2 2 17 PHE HZ 4.850 . 4.850 4.811 4.716 4.865 0.015 2 0 "[ . 1 . 2]" 1
285 1 9 LEU HB2 2 17 PHE QD 4.560 . 4.560 2.976 2.903 3.042 . 0 0 "[ . 1 . 2]" 1
286 1 9 LEU H 2 17 PHE QD 5.500 . 5.500 4.773 4.641 4.896 . 0 0 "[ . 1 . 2]" 1
287 1 9 LEU HA 2 17 PHE QD 4.890 . 4.890 4.812 4.696 4.913 0.023 7 0 "[ . 1 . 2]" 1
288 1 9 LEU HB3 2 17 PHE QD 4.820 . 4.820 4.531 4.412 4.598 . 0 0 "[ . 1 . 2]" 1
289 1 9 LEU MD1 2 17 PHE QD 3.700 . 3.700 3.464 3.379 3.584 . 0 0 "[ . 1 . 2]" 1
290 1 9 LEU MD2 2 17 PHE QD 3.980 . 3.980 3.788 3.725 3.852 . 0 0 "[ . 1 . 2]" 1
291 1 9 LEU HG 2 17 PHE QE 4.360 . 4.360 4.342 4.276 4.387 0.027 12 0 "[ . 1 . 2]" 1
292 1 9 LEU H 2 17 PHE QE 5.110 . 5.110 4.055 3.752 4.334 . 0 0 "[ . 1 . 2]" 1
293 1 9 LEU HA 2 17 PHE QE 4.050 . 4.050 2.845 2.701 2.964 . 0 0 "[ . 1 . 2]" 1
294 1 9 LEU HB3 2 17 PHE QE 4.290 . 4.290 3.958 3.757 4.109 . 0 0 "[ . 1 . 2]" 1
295 1 9 LEU MD1 2 17 PHE QE 3.090 . 3.090 2.182 2.089 2.329 . 0 0 "[ . 1 . 2]" 1
296 1 9 LEU HB2 2 17 PHE QE 3.830 . 3.830 2.291 2.087 2.448 . 0 0 "[ . 1 . 2]" 1
297 1 9 LEU MD2 2 17 PHE QE 3.580 . 3.580 3.662 3.615 3.730 0.150 13 0 "[ . 1 . 2]" 1
298 1 9 LEU MD2 2 21 LYS H 3.430 . 3.430 3.051 2.908 3.170 . 0 0 "[ . 1 . 2]" 1
299 1 9 LEU MD1 2 21 LYS H 3.390 . 3.390 3.607 3.578 3.645 0.255 2 0 "[ . 1 . 2]" 1
300 1 9 LEU MD2 2 21 LYS HA 3.250 . 3.250 1.978 1.890 2.040 . 0 0 "[ . 1 . 2]" 1
301 1 9 LEU MD1 2 21 LYS HA 3.300 . 3.300 2.163 1.966 2.344 . 0 0 "[ . 1 . 2]" 1
302 1 9 LEU MD1 2 21 LYS HB2 4.750 . 4.750 1.793 1.695 2.071 . 0 0 "[ . 1 . 2]" 1
303 1 9 LEU MD2 2 21 LYS HB2 4.650 . 4.650 3.088 2.962 3.240 . 0 0 "[ . 1 . 2]" 1
304 1 9 LEU MD1 2 21 LYS HB3 5.130 . 5.130 3.228 2.993 3.547 . 0 0 "[ . 1 . 2]" 1
305 1 9 LEU MD2 2 21 LYS HB3 4.960 . 4.960 3.858 3.572 4.179 . 0 0 "[ . 1 . 2]" 1
306 1 9 LEU MD1 2 21 LYS HD2 4.950 . 4.950 4.632 4.530 4.724 . 0 0 "[ . 1 . 2]" 1
307 1 9 LEU MD1 2 21 LYS HD3 4.980 . 4.980 4.746 4.406 4.980 . 0 0 "[ . 1 . 2]" 1
308 1 9 LEU MD1 2 22 GLU H 5.050 . 5.050 4.903 4.773 5.008 . 0 0 "[ . 1 . 2]" 1
309 1 9 LEU MD2 2 22 GLU H 4.760 . 4.760 4.644 4.547 4.724 . 0 0 "[ . 1 . 2]" 1
310 1 9 LEU MD2 2 23 TYR H 4.630 . 4.630 4.533 4.428 4.649 0.019 9 0 "[ . 1 . 2]" 1
311 1 9 LEU MD2 2 23 TYR QD 5.500 . 5.500 5.269 5.118 5.371 . 0 0 "[ . 1 . 2]" 1
312 1 9 LEU MD2 2 24 LYS H 3.610 . 3.610 3.129 3.040 3.227 . 0 0 "[ . 1 . 2]" 1
313 1 9 LEU MD1 2 24 LYS H 4.650 . 4.650 4.458 4.349 4.555 . 0 0 "[ . 1 . 2]" 1
314 1 9 LEU MD2 2 24 LYS HA 4.090 . 4.090 4.178 4.137 4.223 0.133 4 0 "[ . 1 . 2]" 1
315 1 9 LEU MD1 2 24 LYS HB3 3.700 . 3.700 3.641 3.573 3.695 . 0 0 "[ . 1 . 2]" 1
316 1 9 LEU MD2 2 24 LYS HB3 3.670 . 3.670 1.938 1.872 2.009 . 0 0 "[ . 1 . 2]" 1
317 1 9 LEU MD2 2 24 LYS HE2 4.310 . 4.310 3.914 3.696 4.086 . 0 0 "[ . 1 . 2]" 1
318 1 9 LEU MD2 2 24 LYS HE3 4.300 . 4.300 3.486 3.279 3.638 . 0 0 "[ . 1 . 2]" 1
319 1 9 LEU HB3 2 24 LYS HE3 4.810 . 4.810 4.711 4.504 4.854 0.044 4 0 "[ . 1 . 2]" 1
320 1 9 LEU MD2 2 25 GLU H 4.300 . 4.300 4.410 4.360 4.451 0.151 17 0 "[ . 1 . 2]" 1
321 1 10 ASN H 1 10 ASN HB2 3.440 . 3.440 2.539 2.408 2.637 . 0 0 "[ . 1 . 2]" 1
322 1 10 ASN H 1 10 ASN HB3 3.770 . 3.770 3.605 3.588 3.631 . 0 0 "[ . 1 . 2]" 1
323 1 10 ASN H 1 11 ILE H 4.560 . 4.560 4.317 4.238 4.361 . 0 0 "[ . 1 . 2]" 1
324 1 10 ASN HA 1 11 ILE H 3.130 . 3.130 2.149 2.126 2.178 . 0 0 "[ . 1 . 2]" 1
325 1 10 ASN HB3 1 11 ILE H 4.130 . 4.130 3.735 3.661 3.806 . 0 0 "[ . 1 . 2]" 1
326 1 10 ASN HB2 1 11 ILE H 4.530 . 4.530 4.359 4.290 4.451 . 0 0 "[ . 1 . 2]" 1
327 1 10 ASN HA 1 11 ILE HA 4.720 . 4.720 4.405 4.385 4.421 . 0 0 "[ . 1 . 2]" 1
328 1 10 ASN H 1 11 ILE HA 5.480 . 5.480 5.240 5.170 5.306 . 0 0 "[ . 1 . 2]" 1
329 1 10 ASN HA 1 11 ILE HB 4.800 . 4.800 4.584 4.518 4.638 . 0 0 "[ . 1 . 2]" 1
330 1 10 ASN HA 1 11 ILE HG13 4.410 . 4.410 3.869 3.776 3.938 . 0 0 "[ . 1 . 2]" 1
331 1 10 ASN H 1 11 ILE HG13 5.180 . 5.180 4.440 4.380 4.488 . 0 0 "[ . 1 . 2]" 1
332 1 10 ASN HA 1 11 ILE MD 4.690 . 4.690 4.592 4.454 4.690 . 19 0 "[ . 1 . 2]" 1
333 1 10 ASN HB2 1 12 ARG H 5.390 . 5.390 5.129 4.971 5.316 . 0 0 "[ . 1 . 2]" 1
334 1 10 ASN H 2 17 PHE QE 5.500 . 5.500 5.008 4.852 5.126 . 0 0 "[ . 1 . 2]" 1
335 1 10 ASN H 2 24 LYS HE3 5.410 . 5.410 4.331 4.154 4.518 . 0 0 "[ . 1 . 2]" 1
336 1 10 ASN HB2 4 47 ILE H 4.850 . 4.850 4.878 4.672 4.954 0.104 3 0 "[ . 1 . 2]" 1
337 1 10 ASN HB2 4 47 ILE HA 4.890 . 4.890 4.477 4.074 4.730 . 0 0 "[ . 1 . 2]" 1
338 1 10 ASN HA 4 47 ILE HB 5.320 . 5.320 4.324 4.000 4.685 . 0 0 "[ . 1 . 2]" 1
339 1 10 ASN HB3 4 47 ILE HB 3.960 . 3.960 2.922 2.421 3.317 . 0 0 "[ . 1 . 2]" 1
340 1 10 ASN H 4 47 ILE HB 4.540 . 4.540 3.926 3.693 4.191 . 0 0 "[ . 1 . 2]" 1
341 1 10 ASN HB2 4 47 ILE HB 4.000 . 4.000 1.977 1.757 2.145 . 0 0 "[ . 1 . 2]" 1
342 1 10 ASN HB2 4 47 ILE HG12 4.850 . 4.850 4.464 4.362 4.588 . 0 0 "[ . 1 . 2]" 1
343 1 10 ASN HB3 4 47 ILE HG12 5.060 . 5.060 4.464 4.212 4.624 . 0 0 "[ . 1 . 2]" 1
344 1 10 ASN HB2 4 47 ILE HG13 4.240 . 4.240 4.224 4.117 4.316 0.076 8 0 "[ . 1 . 2]" 1
345 1 10 ASN HB3 4 47 ILE HG13 4.470 . 4.470 4.364 3.967 4.541 0.071 16 0 "[ . 1 . 2]" 1
346 1 10 ASN HA 4 47 ILE MD 4.060 . 4.060 3.578 3.399 3.698 . 0 0 "[ . 1 . 2]" 1
347 1 10 ASN HB3 4 47 ILE MD 3.530 . 3.530 2.168 1.903 2.322 . 0 0 "[ . 1 . 2]" 1
348 1 10 ASN HB2 4 47 ILE MD 3.560 . 3.560 2.848 2.642 3.099 . 0 0 "[ . 1 . 2]" 1
349 1 10 ASN H 4 47 ILE MD 4.680 . 4.680 4.666 4.488 4.778 0.098 2 0 "[ . 1 . 2]" 1
350 1 10 ASN HB2 4 47 ILE MG 3.640 . 3.640 2.086 1.967 2.197 . 0 0 "[ . 1 . 2]" 1
351 1 10 ASN HA 4 47 ILE MG 4.400 . 4.400 4.343 4.183 4.441 0.041 17 0 "[ . 1 . 2]" 1
352 1 10 ASN HB3 4 47 ILE MG 3.800 . 3.800 2.304 2.031 2.459 . 0 0 "[ . 1 . 2]" 1
353 1 10 ASN H 4 47 ILE MG 3.990 . 3.990 4.078 3.994 4.123 0.133 15 0 "[ . 1 . 2]" 1
354 1 11 ILE H 1 11 ILE HB 3.540 . 3.540 2.475 2.437 2.508 . 0 0 "[ . 1 . 2]" 1
355 1 11 ILE H 1 11 ILE HG12 4.710 . 4.710 3.991 3.919 4.075 . 0 0 "[ . 1 . 2]" 1
356 1 11 ILE HA 1 11 ILE HG12 4.050 . 4.050 2.770 2.719 2.809 . 0 0 "[ . 1 . 2]" 1
357 1 11 ILE H 1 11 ILE HG13 3.780 . 3.780 2.601 2.525 2.705 . 0 0 "[ . 1 . 2]" 1
358 1 11 ILE HA 1 11 ILE HG13 3.600 . 3.600 2.672 2.612 2.731 . 0 0 "[ . 1 . 2]" 1
359 1 11 ILE HG13 1 11 ILE MG 3.290 . 3.290 3.159 3.144 3.177 . 0 0 "[ . 1 . 2]" 1
360 1 11 ILE HA 1 11 ILE MD 3.960 . 3.960 3.858 3.846 3.874 . 0 0 "[ . 1 . 2]" 1
361 1 11 ILE HB 1 11 ILE MD 3.040 . 3.040 2.292 2.268 2.322 . 0 0 "[ . 1 . 2]" 1
362 1 11 ILE H 1 11 ILE MD 3.760 . 3.760 3.334 3.271 3.409 . 0 0 "[ . 1 . 2]" 1
363 1 11 ILE H 1 11 ILE MG 3.930 . 3.930 3.780 3.758 3.795 . 0 0 "[ . 1 . 2]" 1
364 1 11 ILE HA 1 11 ILE MG 3.180 . 3.180 2.423 2.391 2.454 . 0 0 "[ . 1 . 2]" 1
365 1 11 ILE HB 1 12 ARG H 4.980 . 4.980 4.451 4.415 4.477 . 0 0 "[ . 1 . 2]" 1
366 1 11 ILE HG12 1 12 ARG H 5.210 . 5.210 4.876 4.820 4.940 . 0 0 "[ . 1 . 2]" 1
367 1 11 ILE H 1 12 ARG H 5.060 . 5.060 4.141 4.092 4.206 . 0 0 "[ . 1 . 2]" 1
368 1 11 ILE HG13 1 12 ARG H 5.500 . 5.500 4.811 4.782 4.874 . 0 0 "[ . 1 . 2]" 1
369 1 11 ILE HA 1 12 ARG H 3.100 . 3.100 2.201 2.157 2.237 . 0 0 "[ . 1 . 2]" 1
370 1 11 ILE MG 1 12 ARG H 3.370 . 3.370 3.320 3.211 3.386 0.016 2 0 "[ . 1 . 2]" 1
371 1 11 ILE HA 1 12 ARG HB2 5.080 . 5.080 4.293 4.187 4.387 . 0 0 "[ . 1 . 2]" 1
372 1 11 ILE MG 1 16 LYS H 4.400 . 4.400 4.436 4.388 4.468 0.068 11 0 "[ . 1 . 2]" 1
373 1 11 ILE MG 1 16 LYS HD2 3.940 . 3.940 2.537 2.316 2.755 . 0 0 "[ . 1 . 2]" 1
374 1 11 ILE MG 1 16 LYS HG2 3.260 . 3.260 2.564 2.345 2.783 . 0 0 "[ . 1 . 2]" 1
375 1 11 ILE MG 1 16 LYS QE 4.940 . 4.940 3.910 3.767 4.058 . 0 0 "[ . 1 . 2]" 1
376 1 11 ILE HB 1 17 PHE H 5.040 . 5.040 4.386 4.297 4.472 . 0 0 "[ . 1 . 2]" 1
377 1 11 ILE MG 1 17 PHE H 3.470 . 3.470 2.662 2.598 2.718 . 0 0 "[ . 1 . 2]" 1
378 1 11 ILE HB 1 17 PHE HA 4.580 . 4.580 3.115 2.996 3.218 . 0 0 "[ . 1 . 2]" 1
379 1 11 ILE HG12 1 17 PHE HA 5.040 . 5.040 4.158 4.089 4.217 . 0 0 "[ . 1 . 2]" 1
380 1 11 ILE MD 1 17 PHE HA 3.240 . 3.240 2.347 2.290 2.409 . 0 0 "[ . 1 . 2]" 1
381 1 11 ILE MG 1 17 PHE HA 3.130 . 3.130 1.907 1.827 1.957 . 0 0 "[ . 1 . 2]" 1
382 1 11 ILE MG 1 17 PHE HB2 4.520 . 4.520 2.506 2.450 2.560 . 0 0 "[ . 1 . 2]" 1
383 1 11 ILE HB 1 17 PHE HB2 4.620 . 4.620 2.505 2.379 2.618 . 0 0 "[ . 1 . 2]" 1
384 1 11 ILE HB 1 17 PHE HB3 4.780 . 4.780 4.248 4.126 4.361 . 0 0 "[ . 1 . 2]" 1
385 1 11 ILE MD 1 17 PHE HB3 4.560 . 4.560 4.602 4.521 4.647 0.087 3 0 "[ . 1 . 2]" 1
386 1 11 ILE MG 1 17 PHE HB3 3.550 . 3.550 3.601 3.579 3.631 0.081 7 0 "[ . 1 . 2]" 1
387 1 11 ILE MD 1 17 PHE HZ 5.260 . 5.260 5.187 5.075 5.276 0.016 7 0 "[ . 1 . 2]" 1
388 1 11 ILE HA 1 17 PHE QD 5.500 . 5.500 5.179 4.990 5.293 . 0 0 "[ . 1 . 2]" 1
389 1 11 ILE HG12 1 17 PHE QD 5.000 . 5.000 4.561 4.382 4.671 . 0 0 "[ . 1 . 2]" 1
390 1 11 ILE HB 1 17 PHE QD 3.980 . 3.980 2.246 2.053 2.359 . 0 0 "[ . 1 . 2]" 1
391 1 11 ILE H 1 17 PHE QD 5.040 . 5.040 3.700 3.547 3.827 . 0 0 "[ . 1 . 2]" 1
392 1 11 ILE MD 1 17 PHE QD 3.000 . 3.000 2.271 2.108 2.426 . 0 0 "[ . 1 . 2]" 1
393 1 11 ILE MG 1 17 PHE QD 3.700 . 3.700 3.382 3.266 3.471 . 0 0 "[ . 1 . 2]" 1
394 1 11 ILE HG13 1 17 PHE QD 4.550 . 4.550 4.037 3.815 4.195 . 0 0 "[ . 1 . 2]" 1
395 1 11 ILE MD 1 17 PHE QE 3.650 . 3.650 3.335 3.200 3.458 . 0 0 "[ . 1 . 2]" 1
396 1 11 ILE HB 1 17 PHE QE 5.500 . 5.500 4.439 4.247 4.559 . 0 0 "[ . 1 . 2]" 1
397 1 11 ILE MG 1 18 GLU H 4.550 . 4.550 4.580 4.563 4.604 0.054 4 0 "[ . 1 . 2]" 1
398 1 11 ILE MG 1 19 LYS H 5.070 . 5.070 5.084 5.015 5.136 0.066 20 0 "[ . 1 . 2]" 1
399 1 11 ILE HG13 1 20 VAL MG2 4.250 . 4.250 3.980 3.908 4.073 . 0 0 "[ . 1 . 2]" 1
400 1 11 ILE MD 1 21 LYS H 4.270 . 4.270 3.416 3.341 3.493 . 0 0 "[ . 1 . 2]" 1
401 1 11 ILE MD 2 23 TYR QD 5.500 . 5.500 5.504 5.470 5.531 0.031 14 0 "[ . 1 . 2]" 1
402 1 11 ILE MD 2 24 LYS H 4.900 . 4.900 4.915 4.842 4.962 0.062 9 0 "[ . 1 . 2]" 1
403 1 11 ILE MD 2 24 LYS HA 4.310 . 4.310 4.384 4.356 4.436 0.126 17 0 "[ . 1 . 2]" 1
404 1 11 ILE MG 2 24 LYS HA 4.540 . 4.540 3.788 3.676 3.886 . 0 0 "[ . 1 . 2]" 1
405 1 11 ILE HG12 2 24 LYS HE2 4.070 . 4.070 2.346 2.150 2.471 . 0 0 "[ . 1 . 2]" 1
406 1 11 ILE HA 2 24 LYS HE2 3.840 . 3.840 2.592 2.360 2.736 . 0 0 "[ . 1 . 2]" 1
407 1 11 ILE MG 2 24 LYS HE2 3.640 . 3.640 2.860 2.622 3.100 . 0 0 "[ . 1 . 2]" 1
408 1 11 ILE MD 2 24 LYS HE2 4.270 . 4.270 3.983 3.810 4.101 . 0 0 "[ . 1 . 2]" 1
409 1 11 ILE HG13 2 24 LYS HE2 3.850 . 3.850 3.255 3.056 3.565 . 0 0 "[ . 1 . 2]" 1
410 1 11 ILE HG12 2 24 LYS HE3 3.620 . 3.620 2.930 2.709 3.080 . 0 0 "[ . 1 . 2]" 1
411 1 11 ILE MD 2 24 LYS HE3 4.050 . 4.050 4.081 4.028 4.116 0.066 11 0 "[ . 1 . 2]" 1
412 1 11 ILE HA 2 24 LYS HE3 3.960 . 3.960 3.062 2.682 3.390 . 0 0 "[ . 1 . 2]" 1
413 1 11 ILE HG12 2 24 LYS QG 3.820 . 3.820 3.459 3.251 3.681 . 0 0 "[ . 1 . 2]" 1
414 1 11 ILE MG 2 27 LEU HB3 5.030 . 5.030 4.694 4.606 4.840 . 0 0 "[ . 1 . 2]" 1
415 1 11 ILE H 4 47 ILE MD 3.770 . 3.770 3.564 3.370 3.766 . 0 0 "[ . 1 . 2]" 1
416 1 11 ILE H 4 47 ILE MG 5.490 . 5.490 5.289 5.139 5.460 . 0 0 "[ . 1 . 2]" 1
417 1 11 ILE H 1 12 ARG HA 5.500 . 5.500 4.936 4.869 4.994 . 0 0 "[ . 1 . 2]" 1
418 1 12 ARG H 1 12 ARG HB2 3.410 . 3.410 2.124 2.023 2.234 . 0 0 "[ . 1 . 2]" 1
419 1 12 ARG H 1 12 ARG HB3 3.560 . 3.560 3.046 2.893 3.266 . 0 0 "[ . 1 . 2]" 1
420 1 12 ARG H 1 12 ARG HD2 4.820 . 4.820 4.739 4.271 4.967 0.147 14 0 "[ . 1 . 2]" 1
421 1 12 ARG HB3 1 12 ARG QD 3.740 . 3.740 2.288 2.206 2.451 . 0 0 "[ . 1 . 2]" 1
422 1 12 ARG HB2 1 12 ARG QD 3.780 . 3.780 2.655 2.279 2.841 . 0 0 "[ . 1 . 2]" 1
423 1 12 ARG HA 1 12 ARG QG 3.680 . 3.680 2.226 2.190 2.263 . 0 0 "[ . 1 . 2]" 1
424 1 12 ARG HD3 1 13 GLY H 5.210 . 5.210 5.230 5.069 5.302 0.092 15 0 "[ . 1 . 2]" 1
425 1 12 ARG QD 1 13 GLY H 5.330 . 5.330 4.689 4.573 4.894 . 0 0 "[ . 1 . 2]" 1
426 1 12 ARG HA 1 13 GLY H 3.290 . 3.290 2.157 2.125 2.173 . 0 0 "[ . 1 . 2]" 1
427 1 12 ARG QG 1 13 GLY H 3.550 . 3.550 2.929 2.789 3.213 . 0 0 "[ . 1 . 2]" 1
428 1 12 ARG QG 1 13 GLY HA2 5.390 . 5.390 4.381 4.132 4.806 . 0 0 "[ . 1 . 2]" 1
429 1 12 ARG H 2 24 LYS HE2 4.480 . 4.480 4.174 3.908 4.352 . 0 0 "[ . 1 . 2]" 1
430 1 12 ARG H 2 24 LYS HE3 5.070 . 5.070 4.765 4.397 5.107 0.037 5 0 "[ . 1 . 2]" 1
431 1 12 ARG HE 4 47 ILE HA 4.950 . 4.950 4.674 4.212 5.013 0.063 5 0 "[ . 1 . 2]" 1
432 1 12 ARG H 4 47 ILE HA 5.500 . 5.500 5.671 5.586 5.733 0.233 2 0 "[ . 1 . 2]" 1
433 1 12 ARG HE 4 47 ILE HB 5.460 . 5.460 4.988 4.562 5.523 0.063 4 0 "[ . 1 . 2]" 1
434 1 12 ARG H 4 47 ILE HB 4.830 . 4.830 3.902 3.779 4.049 . 0 0 "[ . 1 . 2]" 1
435 1 12 ARG HE 4 47 ILE HG12 5.500 . 5.500 2.145 1.756 2.650 . 0 0 "[ . 1 . 2]" 1
436 1 12 ARG H 4 47 ILE HG12 5.500 . 5.500 4.084 3.953 4.282 . 0 0 "[ . 1 . 2]" 1
437 1 12 ARG QD 4 47 ILE HG12 5.500 . 5.500 3.777 3.053 4.092 . 0 0 "[ . 1 . 2]" 1
438 1 12 ARG HE 4 47 ILE HG13 5.350 . 5.350 3.180 2.577 3.941 . 0 0 "[ . 1 . 2]" 1
439 1 12 ARG H 4 47 ILE HG13 5.500 . 5.500 2.538 2.438 2.656 . 0 0 "[ . 1 . 2]" 1
440 1 12 ARG HB2 4 47 ILE HG13 3.870 . 3.870 2.084 1.792 2.415 . 0 0 "[ . 1 . 2]" 1
441 1 12 ARG HA 4 47 ILE MD 3.500 . 3.500 2.662 2.527 2.834 . 0 0 "[ . 1 . 2]" 1
442 1 12 ARG HB3 4 47 ILE MD 3.690 . 3.690 3.479 3.316 3.717 0.027 5 0 "[ . 1 . 2]" 1
443 1 12 ARG QD 4 47 ILE MD 3.750 . 3.750 3.454 3.203 3.565 . 0 0 "[ . 1 . 2]" 1
444 1 12 ARG HB2 4 47 ILE MD 3.510 . 3.510 2.112 1.811 2.527 . 0 0 "[ . 1 . 2]" 1
445 1 12 ARG QG 4 47 ILE MD 3.520 . 3.520 1.866 1.619 2.291 . 0 0 "[ . 1 . 2]" 1
446 1 12 ARG H 4 47 ILE MD 3.320 . 3.320 2.521 2.367 2.766 . 0 0 "[ . 1 . 2]" 1
447 1 12 ARG HD2 4 47 ILE MD 4.010 . 4.010 3.782 3.335 3.982 . 0 0 "[ . 1 . 2]" 1
448 1 12 ARG QD 4 47 ILE MG 5.090 . 5.090 5.198 4.758 5.318 0.228 10 0 "[ . 1 . 2]" 1
449 1 12 ARG HE 4 47 ILE MG 4.050 . 4.050 3.790 3.629 4.005 . 0 0 "[ . 1 . 2]" 1
450 1 13 GLY H 1 14 LYS H 4.000 . 4.000 3.614 3.488 3.787 . 0 0 "[ . 1 . 2]" 1
451 1 13 GLY HA2 1 14 LYS H 3.270 . 3.270 2.139 2.113 2.158 . 0 0 "[ . 1 . 2]" 1
452 1 13 GLY HA3 1 14 LYS H 3.360 . 3.360 3.285 3.213 3.333 . 0 0 "[ . 1 . 2]" 1
453 1 13 GLY H 1 14 LYS HA 5.400 . 5.400 4.710 4.614 4.801 . 0 0 "[ . 1 . 2]" 1
454 1 13 GLY HA2 1 14 LYS HB2 4.750 . 4.750 4.644 4.568 4.740 . 0 0 "[ . 1 . 2]" 1
455 1 13 GLY HA3 1 15 ARG H 4.730 . 4.730 4.349 4.142 4.549 . 0 0 "[ . 1 . 2]" 1
456 1 13 GLY HA3 1 16 LYS H 4.820 . 4.820 3.507 3.328 3.640 . 0 0 "[ . 1 . 2]" 1
457 1 13 GLY HA3 1 16 LYS QE 4.630 . 4.630 2.668 2.451 3.382 . 0 0 "[ . 1 . 2]" 1
458 1 14 LYS H 1 14 LYS HB2 3.420 . 3.420 2.583 2.500 2.685 . 0 0 "[ . 1 . 2]" 1
459 1 14 LYS H 1 14 LYS HB3 3.350 . 3.350 2.468 2.419 2.524 . 0 0 "[ . 1 . 2]" 1
460 1 14 LYS HA 1 14 LYS HD2 3.900 . 3.900 4.008 3.955 4.081 0.181 11 0 "[ . 1 . 2]" 1
461 1 14 LYS H 1 14 LYS HD2 4.900 . 4.900 4.925 4.843 5.003 0.103 5 0 "[ . 1 . 2]" 1
462 1 14 LYS HB2 1 14 LYS HD2 3.320 . 3.320 2.363 2.314 2.411 . 0 0 "[ . 1 . 2]" 1
463 1 14 LYS HA 1 14 LYS HD3 4.570 . 4.570 4.601 4.543 4.643 0.073 16 0 "[ . 1 . 2]" 1
464 1 14 LYS H 1 14 LYS HD3 5.360 . 5.360 4.882 4.698 5.045 . 0 0 "[ . 1 . 2]" 1
465 1 14 LYS HB2 1 14 LYS HD3 3.510 . 3.510 2.781 2.651 2.909 . 0 0 "[ . 1 . 2]" 1
466 1 14 LYS HA 1 14 LYS HG2 3.670 . 3.670 3.383 3.297 3.426 . 0 0 "[ . 1 . 2]" 1
467 1 14 LYS HA 1 14 LYS HG3 3.550 . 3.550 2.497 2.436 2.557 . 0 0 "[ . 1 . 2]" 1
468 1 14 LYS H 1 14 LYS HG3 4.810 . 4.810 4.443 4.416 4.461 . 0 0 "[ . 1 . 2]" 1
469 1 14 LYS HB2 1 14 LYS QE 4.750 . 4.750 3.924 3.892 3.951 . 0 0 "[ . 1 . 2]" 1
470 1 14 LYS HD2 1 14 LYS QE 2.700 . 2.700 2.333 2.175 2.385 . 0 0 "[ . 1 . 2]" 1
471 1 14 LYS QE 1 14 LYS HG2 3.020 . 3.020 2.401 2.294 2.841 . 0 0 "[ . 1 . 2]" 1
472 1 14 LYS QE 1 14 LYS HG3 3.080 . 3.080 2.414 2.319 2.530 . 0 0 "[ . 1 . 2]" 1
473 1 14 LYS HB3 1 15 ARG H 2.960 . 2.960 2.400 2.264 2.554 . 0 0 "[ . 1 . 2]" 1
474 1 14 LYS HG2 1 15 ARG H 4.020 . 4.020 3.289 3.059 3.392 . 0 0 "[ . 1 . 2]" 1
475 1 14 LYS HG3 1 15 ARG H 5.090 . 5.090 4.240 4.145 4.332 . 0 0 "[ . 1 . 2]" 1
476 1 14 LYS QE 1 15 ARG H 5.350 . 5.350 5.285 5.099 5.517 0.167 11 0 "[ . 1 . 2]" 1
477 1 14 LYS HD3 1 15 ARG H 5.500 . 5.500 4.730 4.409 4.954 . 0 0 "[ . 1 . 2]" 1
478 1 14 LYS H 1 16 LYS H 5.500 . 5.500 4.230 4.111 4.380 . 0 0 "[ . 1 . 2]" 1
479 1 14 LYS HA 1 17 PHE H 4.200 . 4.200 3.604 3.465 3.732 . 0 0 "[ . 1 . 2]" 1
480 1 14 LYS HA 1 17 PHE HB2 4.150 . 4.150 3.803 3.625 3.985 . 0 0 "[ . 1 . 2]" 1
481 1 14 LYS HA 1 17 PHE HB3 4.320 . 4.320 2.649 2.440 2.838 . 0 0 "[ . 1 . 2]" 1
482 1 14 LYS HG3 1 17 PHE QD 4.810 . 4.810 3.970 3.565 4.300 . 0 0 "[ . 1 . 2]" 1
483 1 14 LYS HG2 1 17 PHE QD 5.500 . 5.500 5.123 4.905 5.458 . 0 0 "[ . 1 . 2]" 1
484 1 14 LYS HA 1 17 PHE QD 4.370 . 4.370 3.980 3.789 4.157 . 0 0 "[ . 1 . 2]" 1
485 1 14 LYS HG2 1 18 GLU H 5.010 . 5.010 4.634 4.357 4.888 . 0 0 "[ . 1 . 2]" 1
486 1 14 LYS HA 1 18 GLU H 4.530 . 4.530 4.088 3.901 4.210 . 0 0 "[ . 1 . 2]" 1
487 1 14 LYS HG2 1 18 GLU HG2 4.050 . 4.050 3.989 3.561 4.118 0.068 10 0 "[ . 1 . 2]" 1
488 1 14 LYS HG3 1 18 GLU HG2 4.020 . 4.020 3.748 3.451 3.977 . 0 0 "[ . 1 . 2]" 1
489 1 14 LYS HG2 1 18 GLU HG3 3.960 . 3.960 2.971 2.702 3.299 . 0 0 "[ . 1 . 2]" 1
490 1 14 LYS HG3 1 18 GLU HG3 4.180 . 4.180 3.109 2.654 3.530 . 0 0 "[ . 1 . 2]" 1
491 1 15 ARG H 1 15 ARG HB2 3.690 . 3.690 2.542 2.396 2.699 . 0 0 "[ . 1 . 2]" 1
492 1 15 ARG H 1 15 ARG HB3 3.690 . 3.690 3.592 3.570 3.611 . 0 0 "[ . 1 . 2]" 1
493 1 15 ARG HA 1 15 ARG HD2 3.500 . 3.500 2.977 2.491 3.353 . 0 0 "[ . 1 . 2]" 1
494 1 15 ARG H 1 15 ARG HD2 4.650 . 4.650 4.432 4.217 4.674 0.024 17 0 "[ . 1 . 2]" 1
495 1 15 ARG HA 1 15 ARG HD3 3.500 . 3.500 2.014 1.766 2.457 . 0 0 "[ . 1 . 2]" 1
496 1 15 ARG H 1 15 ARG HD3 4.650 . 4.650 3.357 2.997 3.922 . 0 0 "[ . 1 . 2]" 1
497 1 15 ARG H 1 15 ARG HG2 3.670 . 3.670 2.147 1.886 2.391 . 0 0 "[ . 1 . 2]" 1
498 1 15 ARG HA 1 15 ARG HG2 3.920 . 3.920 3.118 2.848 3.313 . 0 0 "[ . 1 . 2]" 1
499 1 15 ARG H 1 15 ARG HG3 3.670 . 3.670 3.603 3.363 3.701 0.031 10 0 "[ . 1 . 2]" 1
500 1 15 ARG HA 1 15 ARG HG3 3.920 . 3.920 3.751 3.702 3.839 . 0 0 "[ . 1 . 2]" 1
501 1 15 ARG H 1 15 ARG QB 3.090 . 3.090 2.491 2.362 2.624 . 0 0 "[ . 1 . 2]" 1
502 1 15 ARG H 1 15 ARG QD 4.090 . 4.090 3.258 2.941 3.731 . 0 0 "[ . 1 . 2]" 1
503 1 15 ARG HA 1 15 ARG QG 3.240 . 3.240 2.970 2.772 3.109 . 0 0 "[ . 1 . 2]" 1
504 1 15 ARG H 1 16 LYS H 3.440 . 3.440 2.656 2.568 2.754 . 0 0 "[ . 1 . 2]" 1
505 1 15 ARG QB 1 16 LYS H 3.230 . 3.230 2.497 2.300 2.599 . 0 0 "[ . 1 . 2]" 1
506 1 15 ARG HB2 1 16 LYS H 3.870 . 3.870 2.546 2.330 2.656 . 0 0 "[ . 1 . 2]" 1
507 1 15 ARG HB3 1 16 LYS H 3.870 . 3.870 3.628 3.296 3.804 . 0 0 "[ . 1 . 2]" 1
508 1 15 ARG QG 1 16 LYS H 4.330 . 4.330 3.933 3.675 4.134 . 0 0 "[ . 1 . 2]" 1
509 1 15 ARG HG3 1 16 LYS H 5.010 . 5.010 4.850 4.544 4.972 . 0 0 "[ . 1 . 2]" 1
510 1 15 ARG HG2 1 16 LYS H 5.010 . 5.010 4.163 3.847 4.420 . 0 0 "[ . 1 . 2]" 1
511 1 15 ARG H 1 16 LYS HB2 5.030 . 5.030 4.550 4.468 4.647 . 0 0 "[ . 1 . 2]" 1
512 1 15 ARG H 1 16 LYS QE 5.340 . 5.340 5.402 5.350 5.442 0.102 4 0 "[ . 1 . 2]" 1
513 1 15 ARG H 1 17 PHE H 5.280 . 5.280 4.290 4.184 4.397 . 0 0 "[ . 1 . 2]" 1
514 1 15 ARG H 1 17 PHE HB3 5.500 . 5.500 5.046 4.906 5.169 . 0 0 "[ . 1 . 2]" 1
515 1 15 ARG H 1 18 GLU H 5.060 . 5.060 4.696 4.628 4.774 . 0 0 "[ . 1 . 2]" 1
516 1 15 ARG HA 1 18 GLU H 3.920 . 3.920 3.425 3.287 3.610 . 0 0 "[ . 1 . 2]" 1
517 1 15 ARG HA 1 18 GLU HA 5.500 . 5.500 5.296 5.151 5.474 . 0 0 "[ . 1 . 2]" 1
518 1 15 ARG HA 1 18 GLU HG2 4.690 . 4.690 4.242 4.014 4.468 . 0 0 "[ . 1 . 2]" 1
519 1 15 ARG HA 1 19 LYS HE3 4.440 . 4.440 4.298 4.067 4.493 0.053 8 0 "[ . 1 . 2]" 1
520 1 15 ARG H 1 19 LYS HE3 5.500 . 5.500 5.505 5.352 5.607 0.107 12 0 "[ . 1 . 2]" 1
521 1 16 LYS H 1 16 LYS HB2 3.710 . 3.710 2.120 2.082 2.148 . 0 0 "[ . 1 . 2]" 1
522 1 16 LYS H 1 16 LYS HB3 3.620 . 3.620 2.742 2.677 2.837 . 0 0 "[ . 1 . 2]" 1
523 1 16 LYS HA 1 16 LYS HD2 4.670 . 4.670 4.596 4.564 4.620 . 0 0 "[ . 1 . 2]" 1
524 1 16 LYS H 1 16 LYS HD3 5.500 . 5.500 5.664 5.617 5.692 0.192 4 0 "[ . 1 . 2]" 1
525 1 16 LYS HA 1 16 LYS HD3 4.870 . 4.870 4.657 4.584 4.702 . 0 0 "[ . 1 . 2]" 1
526 1 16 LYS HE2 1 16 LYS HG3 3.950 . 3.950 2.589 2.519 2.659 . 0 0 "[ . 1 . 2]" 1
527 1 16 LYS H 1 16 LYS HE2 4.740 . 4.740 4.674 3.569 4.849 0.109 5 0 "[ . 1 . 2]" 1
528 1 16 LYS H 1 16 LYS HE3 4.740 . 4.740 3.706 3.549 4.855 0.115 14 0 "[ . 1 . 2]" 1
529 1 16 LYS HE3 1 16 LYS HG3 3.950 . 3.950 3.092 2.974 3.697 . 0 0 "[ . 1 . 2]" 1
530 1 16 LYS HA 1 16 LYS HG2 4.070 . 4.070 2.928 2.880 3.053 . 0 0 "[ . 1 . 2]" 1
531 1 16 LYS H 1 16 LYS HG2 4.750 . 4.750 4.472 4.442 4.503 . 0 0 "[ . 1 . 2]" 1
532 1 16 LYS H 1 16 LYS HG3 4.070 . 4.070 4.100 4.029 4.138 0.068 15 0 "[ . 1 . 2]" 1
533 1 16 LYS HA 1 16 LYS HG3 3.980 . 3.980 2.401 2.308 2.473 . 0 0 "[ . 1 . 2]" 1
534 1 16 LYS HB3 1 16 LYS QE 3.630 . 3.630 2.739 2.619 2.992 . 0 0 "[ . 1 . 2]" 1
535 1 16 LYS QE 1 16 LYS HG3 3.450 . 3.450 2.459 2.426 2.508 . 0 0 "[ . 1 . 2]" 1
536 1 16 LYS H 1 16 LYS QE 4.110 . 4.110 3.527 3.457 3.624 . 0 0 "[ . 1 . 2]" 1
537 1 16 LYS HA 1 16 LYS QE 4.400 . 4.400 3.806 3.585 3.882 . 0 0 "[ . 1 . 2]" 1
538 1 16 LYS HB2 1 16 LYS QE 3.450 . 3.450 1.743 1.687 1.874 . 0 0 "[ . 1 . 2]" 1
539 1 16 LYS QE 1 17 PHE H 5.040 . 5.040 4.571 4.462 4.760 . 0 0 "[ . 1 . 2]" 1
540 1 16 LYS H 1 17 PHE H 3.530 . 3.530 2.790 2.712 2.887 . 0 0 "[ . 1 . 2]" 1
541 1 16 LYS HB3 1 17 PHE H 3.640 . 3.640 2.167 2.101 2.259 . 0 0 "[ . 1 . 2]" 1
542 1 16 LYS HB2 1 17 PHE H 3.560 . 3.560 3.378 3.315 3.432 . 0 0 "[ . 1 . 2]" 1
543 1 16 LYS HG3 1 17 PHE H 5.300 . 5.300 4.701 4.609 4.761 . 0 0 "[ . 1 . 2]" 1
544 1 16 LYS H 1 19 LYS H 5.360 . 5.360 5.040 4.957 5.125 . 0 0 "[ . 1 . 2]" 1
545 1 16 LYS HA 1 19 LYS H 4.190 . 4.190 3.795 3.705 3.872 . 0 0 "[ . 1 . 2]" 1
546 1 16 LYS HA 1 19 LYS HD2 4.410 . 4.410 2.607 1.829 2.786 . 0 0 "[ . 1 . 2]" 1
547 1 16 LYS HA 1 19 LYS HD3 4.410 . 4.410 4.189 2.810 4.429 0.019 3 0 "[ . 1 . 2]" 1
548 1 16 LYS HA 1 19 LYS HE3 4.300 . 4.300 2.405 2.145 2.661 . 0 0 "[ . 1 . 2]" 1
549 1 16 LYS H 1 19 LYS HE3 4.350 . 4.350 3.785 3.543 3.972 . 0 0 "[ . 1 . 2]" 1
550 1 16 LYS HA 1 19 LYS QB 4.490 . 4.490 3.606 3.481 3.739 . 0 0 "[ . 1 . 2]" 1
551 1 16 LYS HA 1 19 LYS QD 3.760 . 3.760 2.583 1.807 2.758 . 0 0 "[ . 1 . 2]" 1
552 1 16 LYS HA 1 19 LYS QG 4.890 . 4.890 3.229 2.954 3.923 . 0 0 "[ . 1 . 2]" 1
553 1 16 LYS HE2 2 27 LEU HB2 5.500 . 5.500 4.719 4.385 4.995 . 0 0 "[ . 1 . 2]" 1
554 1 16 LYS HG3 2 27 LEU HB2 4.600 . 4.600 2.945 2.650 3.058 . 0 0 "[ . 1 . 2]" 1
555 1 16 LYS HE3 2 27 LEU HB2 5.500 . 5.500 5.522 5.391 5.592 0.092 6 0 "[ . 1 . 2]" 1
556 1 16 LYS HG3 2 27 LEU HB3 4.520 . 4.520 1.801 1.716 1.930 . 0 0 "[ . 1 . 2]" 1
557 1 16 LYS HE3 2 27 LEU HB3 4.760 . 4.760 4.668 4.532 4.885 0.125 14 0 "[ . 1 . 2]" 1
558 1 16 LYS HE2 2 27 LEU HB3 4.760 . 4.760 3.693 3.313 3.896 . 0 0 "[ . 1 . 2]" 1
559 1 16 LYS HG3 2 27 LEU HG 5.150 . 5.150 4.562 4.331 4.729 . 0 0 "[ . 1 . 2]" 1
560 1 16 LYS HB2 2 27 LEU MD1 5.050 . 5.050 4.278 4.109 4.434 . 0 0 "[ . 1 . 2]" 1
561 1 16 LYS QE 2 27 LEU MD1 5.110 . 5.110 4.531 4.372 4.679 . 0 0 "[ . 1 . 2]" 1
562 1 16 LYS HB3 2 27 LEU MD1 4.180 . 4.180 4.040 3.923 4.142 . 0 0 "[ . 1 . 2]" 1
563 1 16 LYS H 2 27 LEU MD1 5.370 . 5.370 4.904 4.764 5.014 . 0 0 "[ . 1 . 2]" 1
564 1 16 LYS HA 2 27 LEU MD1 3.730 . 3.730 2.512 2.362 2.653 . 0 0 "[ . 1 . 2]" 1
565 1 16 LYS HG3 2 27 LEU MD1 3.940 . 3.940 2.746 2.535 2.924 . 0 0 "[ . 1 . 2]" 1
566 1 16 LYS HG2 2 27 LEU MD1 4.110 . 4.110 2.471 2.274 2.648 . 0 0 "[ . 1 . 2]" 1
567 1 16 LYS HD2 2 27 LEU MD1 5.110 . 5.110 4.473 4.289 4.677 . 0 0 "[ . 1 . 2]" 1
568 1 16 LYS HD3 2 27 LEU MD1 4.760 . 4.760 4.063 3.897 4.298 . 0 0 "[ . 1 . 2]" 1
569 1 16 LYS QE 2 27 LEU MD2 5.340 . 5.340 4.735 4.457 4.916 . 0 0 "[ . 1 . 2]" 1
570 1 16 LYS HA 2 27 LEU MD2 4.160 . 4.160 3.444 3.313 3.553 . 0 0 "[ . 1 . 2]" 1
571 1 16 LYS QE 2 28 ASP HA 3.590 . 3.590 3.048 2.670 3.486 . 0 0 "[ . 1 . 2]" 1
572 1 17 PHE H 1 17 PHE HB2 3.990 . 3.990 2.620 2.578 2.653 . 0 0 "[ . 1 . 2]" 1
573 1 17 PHE H 1 17 PHE HB3 3.900 . 3.900 2.344 2.305 2.381 . 0 0 "[ . 1 . 2]" 1
574 1 17 PHE H 1 17 PHE QD 4.350 . 4.350 4.130 4.109 4.155 . 0 0 "[ . 1 . 2]" 1
575 1 17 PHE HA 1 17 PHE QD 3.550 . 3.550 2.999 2.919 3.075 . 0 0 "[ . 1 . 2]" 1
576 1 17 PHE HA 1 17 PHE QE 5.080 . 5.080 4.830 4.795 4.873 . 0 0 "[ . 1 . 2]" 1
577 1 17 PHE QD 1 18 GLU H 4.080 . 4.080 2.961 2.843 3.069 . 0 0 "[ . 1 . 2]" 1
578 1 17 PHE HB2 1 18 GLU H 4.100 . 4.100 3.974 3.947 4.008 . 0 0 "[ . 1 . 2]" 1
579 1 17 PHE HB3 1 18 GLU H 4.200 . 4.200 2.625 2.584 2.676 . 0 0 "[ . 1 . 2]" 1
580 1 17 PHE QD 1 18 GLU HA 4.400 . 4.400 2.897 2.769 3.073 . 0 0 "[ . 1 . 2]" 1
581 1 17 PHE QD 1 18 GLU HG2 3.790 . 3.790 3.111 2.800 3.443 . 0 0 "[ . 1 . 2]" 1
582 1 17 PHE QE 1 18 GLU HG2 4.780 . 4.780 4.370 4.036 4.795 0.015 20 0 "[ . 1 . 2]" 1
583 1 17 PHE QD 1 18 GLU HG3 3.900 . 3.900 3.334 3.163 3.529 . 0 0 "[ . 1 . 2]" 1
584 1 17 PHE QE 1 18 GLU HG3 5.500 . 5.500 5.285 5.066 5.518 0.018 20 0 "[ . 1 . 2]" 1
585 1 17 PHE QD 1 18 GLU QB 4.650 . 4.650 4.255 4.105 4.425 . 0 0 "[ . 1 . 2]" 1
586 1 17 PHE QD 1 20 VAL HB 5.130 . 5.130 4.625 4.217 4.848 . 0 0 "[ . 1 . 2]" 1
587 1 17 PHE HA 1 20 VAL HB 3.880 . 3.880 3.516 3.040 3.850 . 0 0 "[ . 1 . 2]" 1
588 1 17 PHE HA 1 20 VAL MG2 3.880 . 3.880 1.964 1.792 2.224 . 0 0 "[ . 1 . 2]" 1
589 1 17 PHE QE 1 20 VAL MG2 5.500 . 5.500 5.395 5.170 5.617 0.117 2 0 "[ . 1 . 2]" 1
590 1 17 PHE QD 1 20 VAL MG2 4.570 . 4.570 4.054 3.829 4.277 . 0 0 "[ . 1 . 2]" 1
591 1 17 PHE HA 1 21 LYS H 4.450 . 4.450 3.364 3.200 3.447 . 0 0 "[ . 1 . 2]" 1
592 1 17 PHE QD 1 21 LYS H 5.410 . 5.410 4.228 4.178 4.278 . 0 0 "[ . 1 . 2]" 1
593 1 17 PHE QD 1 21 LYS HB2 4.510 . 4.510 3.854 3.575 4.056 . 0 0 "[ . 1 . 2]" 1
594 1 17 PHE QE 1 21 LYS HB2 5.290 . 5.290 3.091 2.985 3.176 . 0 0 "[ . 1 . 2]" 1
595 1 17 PHE HZ 1 21 LYS HB2 5.500 . 5.500 2.952 2.835 3.060 . 0 0 "[ . 1 . 2]" 1
596 1 17 PHE HA 1 21 LYS HB2 5.500 . 5.500 4.968 4.546 5.254 . 0 0 "[ . 1 . 2]" 1
597 1 17 PHE QD 1 21 LYS HB3 5.500 . 5.500 3.430 3.353 3.541 . 0 0 "[ . 1 . 2]" 1
598 1 17 PHE HZ 1 21 LYS HB3 5.500 . 5.500 4.022 3.832 4.329 . 0 0 "[ . 1 . 2]" 1
599 1 17 PHE HA 1 21 LYS HB3 5.500 . 5.500 4.157 3.975 4.352 . 0 0 "[ . 1 . 2]" 1
600 1 17 PHE QE 1 21 LYS HD2 4.110 . 4.110 3.432 3.169 3.794 . 0 0 "[ . 1 . 2]" 1
601 1 17 PHE QD 1 21 LYS HD2 5.030 . 5.030 3.599 3.369 4.081 . 0 0 "[ . 1 . 2]" 1
602 1 17 PHE QE 1 21 LYS HD3 4.880 . 4.880 4.802 4.645 4.932 0.052 19 0 "[ . 1 . 2]" 1
603 1 17 PHE QE 1 21 LYS HG3 5.330 . 5.330 2.785 2.494 3.043 . 0 0 "[ . 1 . 2]" 1
604 1 17 PHE QD 1 21 LYS HG3 5.500 . 5.500 4.322 4.047 4.509 . 0 0 "[ . 1 . 2]" 1
605 1 17 PHE HZ 1 21 LYS QE 4.350 . 4.350 4.483 4.365 4.525 0.175 15 0 "[ . 1 . 2]" 1
606 1 17 PHE QD 1 21 LYS QE 4.190 . 4.190 4.250 4.172 4.319 0.129 7 0 "[ . 1 . 2]" 1
607 1 17 PHE QE 1 21 LYS QE 4.960 . 4.960 3.116 2.911 3.199 . 0 0 "[ . 1 . 2]" 1
608 1 17 PHE H 2 27 LEU MD1 5.500 . 5.500 4.585 4.511 4.672 . 0 0 "[ . 1 . 2]" 1
609 1 18 GLU H 1 18 GLU HB2 3.710 . 3.710 2.584 2.506 2.667 . 0 0 "[ . 1 . 2]" 1
610 1 18 GLU H 1 18 GLU HB3 3.710 . 3.710 3.614 3.601 3.628 . 0 0 "[ . 1 . 2]" 1
611 1 18 GLU H 1 18 GLU HG2 3.350 . 3.350 3.189 3.061 3.307 . 0 0 "[ . 1 . 2]" 1
612 1 18 GLU HA 1 18 GLU HG2 3.560 . 3.560 2.487 2.388 2.626 . 0 0 "[ . 1 . 2]" 1
613 1 18 GLU HA 1 18 GLU HG3 3.270 . 3.270 3.176 3.084 3.260 . 0 0 "[ . 1 . 2]" 1
614 1 18 GLU H 1 18 GLU HG3 3.340 . 3.340 2.162 2.037 2.343 . 0 0 "[ . 1 . 2]" 1
615 1 18 GLU QB 1 19 LYS H 4.190 . 4.190 2.616 2.436 2.697 . 0 0 "[ . 1 . 2]" 1
616 1 18 GLU HG2 1 19 LYS H 4.900 . 4.900 4.942 4.900 4.985 0.085 11 0 "[ . 1 . 2]" 1
617 1 18 GLU HG3 1 19 LYS H 5.040 . 5.040 4.291 4.144 4.425 . 0 0 "[ . 1 . 2]" 1
618 1 18 GLU H 1 19 LYS H 3.630 . 3.630 2.804 2.761 2.876 . 0 0 "[ . 1 . 2]" 1
619 1 18 GLU HA 1 20 VAL H 5.430 . 5.430 5.055 4.940 5.161 . 0 0 "[ . 1 . 2]" 1
620 1 18 GLU HA 1 21 LYS H 4.240 . 4.240 3.964 3.865 4.140 . 0 0 "[ . 1 . 2]" 1
621 1 18 GLU H 1 21 LYS H 5.500 . 5.500 4.735 4.682 4.807 . 0 0 "[ . 1 . 2]" 1
622 1 18 GLU HA 1 21 LYS HB2 4.630 . 4.630 4.566 4.257 4.734 0.104 3 0 "[ . 1 . 2]" 1
623 1 18 GLU HA 1 21 LYS HB3 3.570 . 3.570 2.963 2.697 3.141 . 0 0 "[ . 1 . 2]" 1
624 1 18 GLU H 1 21 LYS HB3 5.320 . 5.320 4.536 4.407 4.635 . 0 0 "[ . 1 . 2]" 1
625 1 18 GLU H 1 21 LYS HD2 5.480 . 5.480 4.503 4.345 4.922 . 0 0 "[ . 1 . 2]" 1
626 1 18 GLU HA 1 21 LYS HD2 4.340 . 4.340 1.914 1.744 2.270 . 0 0 "[ . 1 . 2]" 1
627 1 18 GLU HA 1 21 LYS HD3 4.720 . 4.720 3.334 3.024 3.932 . 0 0 "[ . 1 . 2]" 1
628 1 18 GLU HA 1 21 LYS HG3 4.760 . 4.760 4.242 4.076 4.394 . 0 0 "[ . 1 . 2]" 1
629 1 18 GLU HA 1 21 LYS QE 4.130 . 4.130 3.181 2.991 3.516 . 0 0 "[ . 1 . 2]" 1
630 1 18 GLU HA 1 22 GLU H 4.740 . 4.740 4.058 3.907 4.293 . 0 0 "[ . 1 . 2]" 1
631 1 19 LYS H 1 19 LYS HD2 4.880 . 4.880 3.739 2.491 3.915 . 0 0 "[ . 1 . 2]" 1
632 1 19 LYS HA 1 19 LYS HD2 4.830 . 4.830 4.643 4.326 4.685 . 0 0 "[ . 1 . 2]" 1
633 1 19 LYS HA 1 19 LYS HD3 4.830 . 4.830 4.511 4.459 4.715 . 0 0 "[ . 1 . 2]" 1
634 1 19 LYS H 1 19 LYS HD3 4.880 . 4.880 4.544 3.867 4.625 . 0 0 "[ . 1 . 2]" 1
635 1 19 LYS HE2 1 19 LYS QG 3.130 . 3.130 2.301 2.255 2.367 . 0 0 "[ . 1 . 2]" 1
636 1 19 LYS H 1 19 LYS HE2 4.410 . 4.410 4.407 3.822 4.489 0.079 6 0 "[ . 1 . 2]" 1
637 1 19 LYS H 1 19 LYS HE3 4.310 . 4.310 4.032 3.845 4.353 0.043 7 0 "[ . 1 . 2]" 1
638 1 19 LYS H 1 19 LYS HG2 4.160 . 4.160 3.166 3.050 3.697 . 0 0 "[ . 1 . 2]" 1
639 1 19 LYS HA 1 19 LYS HG2 3.490 . 3.490 2.745 2.669 3.260 . 0 0 "[ . 1 . 2]" 1
640 1 19 LYS H 1 19 LYS HG3 4.160 . 4.160 1.838 1.753 2.228 . 0 0 "[ . 1 . 2]" 1
641 1 19 LYS HA 1 19 LYS HG3 3.490 . 3.490 3.118 2.677 3.217 . 0 0 "[ . 1 . 2]" 1
642 1 19 LYS HA 1 19 LYS QD 4.230 . 4.230 4.072 4.001 4.094 . 0 0 "[ . 1 . 2]" 1
643 1 19 LYS H 1 19 LYS QD 4.020 . 4.020 3.570 2.462 3.713 . 0 0 "[ . 1 . 2]" 1
644 1 19 LYS QB 1 19 LYS QD 3.170 . 3.170 2.115 2.058 2.136 . 0 0 "[ . 1 . 2]" 1
645 1 19 LYS QB 1 19 LYS QE 4.570 . 4.570 3.482 3.449 3.629 . 0 0 "[ . 1 . 2]" 1
646 1 19 LYS H 1 19 LYS QE 4.490 . 4.490 3.725 3.589 3.805 . 0 0 "[ . 1 . 2]" 1
647 1 19 LYS QE 1 19 LYS QG 3.050 . 3.050 2.114 2.087 2.216 . 0 0 "[ . 1 . 2]" 1
648 1 19 LYS H 1 19 LYS QG 3.600 . 3.600 1.826 1.744 2.210 . 0 0 "[ . 1 . 2]" 1
649 1 19 LYS HB3 1 20 VAL H 4.060 . 4.060 3.410 3.312 3.488 . 0 0 "[ . 1 . 2]" 1
650 1 19 LYS H 1 20 VAL H 3.570 . 3.570 2.789 2.755 2.831 . 0 0 "[ . 1 . 2]" 1
651 1 19 LYS HB2 1 20 VAL H 4.060 . 4.060 2.094 2.023 2.141 . 0 0 "[ . 1 . 2]" 1
652 1 19 LYS QE 1 20 VAL H 5.110 . 5.110 5.223 5.160 5.277 0.167 20 0 "[ . 1 . 2]" 1
653 1 19 LYS H 1 20 VAL MG2 4.140 . 4.140 3.560 3.512 3.634 . 0 0 "[ . 1 . 2]" 1
654 1 19 LYS QD 1 20 VAL MG2 4.490 . 4.490 3.991 3.426 4.143 . 0 0 "[ . 1 . 2]" 1
655 1 19 LYS H 1 21 LYS H 4.870 . 4.870 4.207 4.109 4.294 . 0 0 "[ . 1 . 2]" 1
656 1 19 LYS QD 2 23 TYR QD 5.340 . 5.340 5.295 5.128 5.414 0.074 16 0 "[ . 1 . 2]" 1
657 1 19 LYS HB3 2 23 TYR QE 4.170 . 4.170 2.774 2.504 3.087 . 0 0 "[ . 1 . 2]" 1
658 1 19 LYS QD 2 23 TYR QE 4.640 . 4.640 3.877 3.713 4.154 . 0 0 "[ . 1 . 2]" 1
659 1 19 LYS QB 2 23 TYR QE 3.660 . 3.660 2.647 2.418 2.913 . 0 0 "[ . 1 . 2]" 1
660 1 19 LYS HB2 2 23 TYR QE 4.170 . 4.170 3.356 3.137 3.573 . 0 0 "[ . 1 . 2]" 1
661 1 19 LYS HE2 2 27 LEU MD1 4.570 . 4.570 4.627 4.478 4.669 0.099 1 0 "[ . 1 . 2]" 1
662 1 19 LYS HE3 2 27 LEU MD1 3.800 . 3.800 3.743 3.677 3.851 0.051 7 0 "[ . 1 . 2]" 1
663 1 19 LYS HB3 2 27 LEU MD1 4.130 . 4.130 2.860 2.736 2.945 . 0 0 "[ . 1 . 2]" 1
664 1 19 LYS HG3 2 27 LEU MD1 4.920 . 4.920 3.487 3.377 3.939 . 0 0 "[ . 1 . 2]" 1
665 1 19 LYS HG2 2 27 LEU MD1 4.920 . 4.920 4.085 3.698 4.158 . 0 0 "[ . 1 . 2]" 1
666 1 19 LYS QE 2 27 LEU MD1 4.030 . 4.030 3.592 3.541 3.655 . 0 0 "[ . 1 . 2]" 1
667 1 19 LYS HD2 2 27 LEU MD1 3.830 . 3.830 2.097 1.970 2.374 . 0 0 "[ . 1 . 2]" 1
668 1 19 LYS QB 2 27 LEU MD1 3.510 . 3.510 1.858 1.813 1.904 . 0 0 "[ . 1 . 2]" 1
669 1 19 LYS HB2 2 27 LEU MD1 4.130 . 4.130 1.882 1.836 1.933 . 0 0 "[ . 1 . 2]" 1
670 1 19 LYS H 2 27 LEU MD1 3.600 . 3.600 3.685 3.643 3.722 0.122 5 0 "[ . 1 . 2]" 1
671 1 19 LYS HA 2 27 LEU MD1 4.290 . 4.290 4.350 4.293 4.408 0.118 1 0 "[ . 1 . 2]" 1
672 1 19 LYS QD 2 27 LEU MD1 3.350 . 3.350 2.061 1.955 2.142 . 0 0 "[ . 1 . 2]" 1
673 1 19 LYS HD3 2 27 LEU MD1 3.830 . 3.830 3.312 2.189 3.478 . 0 0 "[ . 1 . 2]" 1
674 1 19 LYS QD 2 27 LEU MD2 3.670 . 3.670 1.872 1.703 2.007 . 0 0 "[ . 1 . 2]" 1
675 1 19 LYS HD3 2 27 LEU MD2 4.180 . 4.180 2.393 1.711 2.547 . 0 0 "[ . 1 . 2]" 1
676 1 19 LYS HD2 2 27 LEU MD2 4.180 . 4.180 2.019 1.789 3.094 . 0 0 "[ . 1 . 2]" 1
677 1 19 LYS QE 2 27 LEU MD2 3.810 . 3.810 3.352 3.225 3.543 . 0 0 "[ . 1 . 2]" 1
678 1 19 LYS HE2 2 27 LEU MD2 4.160 . 4.160 4.098 4.012 4.216 0.056 1 0 "[ . 1 . 2]" 1
679 1 19 LYS HE3 2 27 LEU MD2 3.870 . 3.870 3.558 3.384 3.826 . 0 0 "[ . 1 . 2]" 1
680 1 19 LYS HG3 2 27 LEU MD2 5.500 . 5.500 4.086 4.007 4.187 . 0 0 "[ . 1 . 2]" 1
681 1 19 LYS QG 2 27 LEU MD2 4.820 . 4.820 3.620 3.097 3.711 . 0 0 "[ . 1 . 2]" 1
682 1 19 LYS HG2 2 27 LEU MD2 5.500 . 5.500 4.063 3.195 4.173 . 0 0 "[ . 1 . 2]" 1
683 1 19 LYS H 2 27 LEU MD2 4.960 . 4.960 4.984 4.850 5.026 0.066 11 0 "[ . 1 . 2]" 1
684 1 20 VAL HA 1 20 VAL MG1 3.100 . 3.100 2.133 2.109 2.170 . 0 0 "[ . 1 . 2]" 1
685 1 20 VAL H 1 20 VAL MG2 3.080 . 3.080 1.701 1.663 1.762 . 0 0 "[ . 1 . 2]" 1
686 1 20 VAL H 1 21 LYS H 3.520 . 3.520 2.974 2.890 3.046 . 0 0 "[ . 1 . 2]" 1
687 1 20 VAL HB 1 21 LYS H 3.540 . 3.540 2.652 2.346 2.911 . 0 0 "[ . 1 . 2]" 1
688 1 20 VAL MG2 1 21 LYS H 3.790 . 3.790 2.823 2.529 3.148 . 0 0 "[ . 1 . 2]" 1
689 1 20 VAL HB 1 21 LYS HA 3.970 . 3.970 3.806 3.764 3.841 . 0 0 "[ . 1 . 2]" 1
690 1 20 VAL HB 1 21 LYS HB2 4.840 . 4.840 4.723 4.500 4.865 0.025 9 0 "[ . 1 . 2]" 1
691 1 20 VAL HB 1 21 LYS HB3 4.800 . 4.800 4.463 4.090 4.833 0.033 19 0 "[ . 1 . 2]" 1
692 1 20 VAL H 1 21 LYS HB3 5.500 . 5.500 4.735 4.654 4.816 . 0 0 "[ . 1 . 2]" 1
693 1 20 VAL HB 1 22 GLU H 5.000 . 5.000 4.955 4.770 5.098 0.098 20 0 "[ . 1 . 2]" 1
694 1 20 VAL HA 1 22 GLU H 4.910 . 4.910 4.231 4.149 4.347 . 0 0 "[ . 1 . 2]" 1
695 1 20 VAL H 1 22 GLU H 4.440 . 4.440 4.226 4.151 4.381 . 0 0 "[ . 1 . 2]" 1
696 1 20 VAL MG1 1 23 TYR H 4.870 . 4.870 4.498 4.445 4.571 . 0 0 "[ . 1 . 2]" 1
697 1 20 VAL HA 1 23 TYR H 4.160 . 4.160 3.226 3.109 3.433 . 0 0 "[ . 1 . 2]" 1
698 1 20 VAL HA 1 23 TYR HA 5.500 . 5.500 5.126 4.892 5.379 . 0 0 "[ . 1 . 2]" 1
699 1 20 VAL HA 1 23 TYR HB2 4.190 . 4.190 3.040 2.762 3.308 . 0 0 "[ . 1 . 2]" 1
700 1 20 VAL HA 1 23 TYR HB3 4.250 . 4.250 2.676 2.488 2.870 . 0 0 "[ . 1 . 2]" 1
701 1 20 VAL H 2 20 VAL MG1 5.160 . 5.160 5.083 4.953 5.177 0.017 8 0 "[ . 1 . 2]" 1
702 1 20 VAL MG1 2 21 LYS H 4.640 . 4.640 4.606 4.470 4.706 0.066 15 0 "[ . 1 . 2]" 1
703 1 20 VAL MG1 2 23 TYR H 3.910 . 3.910 3.902 3.724 4.005 0.095 14 0 "[ . 1 . 2]" 1
704 1 20 VAL MG1 2 23 TYR HB2 4.790 . 4.790 3.567 3.379 3.732 . 0 0 "[ . 1 . 2]" 1
705 1 20 VAL HA 2 23 TYR HB3 4.800 . 4.800 3.681 3.446 3.872 . 0 0 "[ . 1 . 2]" 1
706 1 20 VAL MG1 2 23 TYR HB3 4.960 . 4.960 2.142 2.007 2.232 . 0 0 "[ . 1 . 2]" 1
707 1 20 VAL HB 2 23 TYR QD 4.740 . 4.740 4.506 4.236 4.764 0.024 13 0 "[ . 1 . 2]" 1
708 1 20 VAL HA 2 23 TYR QD 3.490 . 3.490 2.012 1.896 2.100 . 0 0 "[ . 1 . 2]" 1
709 1 20 VAL H 2 23 TYR QD 5.420 . 5.420 4.283 4.092 4.445 . 0 0 "[ . 1 . 2]" 1
710 1 20 VAL MG1 2 23 TYR QD 3.280 . 3.280 2.435 2.130 2.754 . 0 0 "[ . 1 . 2]" 1
711 1 20 VAL MG2 2 23 TYR QE 3.850 . 3.850 3.968 3.915 4.018 0.168 7 0 "[ . 1 . 2]" 1
712 1 20 VAL HA 2 23 TYR QE 3.270 . 3.270 2.697 2.418 2.946 . 0 0 "[ . 1 . 2]" 1
713 1 20 VAL H 2 23 TYR QE 4.860 . 4.860 3.613 3.450 3.799 . 0 0 "[ . 1 . 2]" 1
714 1 20 VAL MG1 2 24 LYS H 3.130 . 3.130 2.619 2.434 2.792 . 0 0 "[ . 1 . 2]" 1
715 1 20 VAL MG2 2 24 LYS HA 3.350 . 3.350 2.722 2.452 2.914 . 0 0 "[ . 1 . 2]" 1
716 1 20 VAL MG1 2 24 LYS HA 3.390 . 3.390 2.795 2.514 3.118 . 0 0 "[ . 1 . 2]" 1
717 1 20 VAL MG1 2 24 LYS HB3 3.500 . 3.500 1.799 1.726 1.868 . 0 0 "[ . 1 . 2]" 1
718 1 20 VAL MG1 2 25 GLU H 4.740 . 4.740 4.590 4.400 4.787 0.047 2 0 "[ . 1 . 2]" 1
719 1 20 VAL H 2 27 LEU HG 5.500 . 5.500 5.092 5.025 5.150 . 0 0 "[ . 1 . 2]" 1
720 1 20 VAL H 2 27 LEU MD1 3.340 . 3.340 2.532 2.477 2.587 . 0 0 "[ . 1 . 2]" 1
721 1 20 VAL HB 2 27 LEU MD1 5.390 . 5.390 4.113 4.046 4.160 . 0 0 "[ . 1 . 2]" 1
722 1 20 VAL HA 2 27 LEU MD1 4.630 . 4.630 3.496 3.420 3.630 . 0 0 "[ . 1 . 2]" 1
723 1 20 VAL MG1 2 27 LEU MD1 3.180 . 3.180 2.823 2.412 3.310 0.130 2 0 "[ . 1 . 2]" 1
724 1 20 VAL MG2 2 27 LEU MD1 2.990 . 2.990 1.663 1.622 1.703 . 0 0 "[ . 1 . 2]" 1
725 1 20 VAL MG2 2 27 LEU MD2 4.020 . 4.020 3.941 3.878 4.013 . 0 0 "[ . 1 . 2]" 1
726 1 20 VAL HA 2 27 LEU MD2 5.500 . 5.500 5.450 5.325 5.522 0.022 3 0 "[ . 1 . 2]" 1
727 1 20 VAL H 2 27 LEU MD2 4.280 . 4.280 4.504 4.457 4.555 0.275 13 0 "[ . 1 . 2]" 1
728 1 21 LYS H 1 21 LYS HB2 3.110 . 3.110 3.041 2.844 3.114 0.004 16 0 "[ . 1 . 2]" 1
729 1 21 LYS H 1 21 LYS HB3 3.320 . 3.320 2.072 2.050 2.114 . 0 0 "[ . 1 . 2]" 1
730 1 21 LYS H 1 21 LYS HD2 4.470 . 4.470 3.690 3.588 3.843 . 0 0 "[ . 1 . 2]" 1
731 1 21 LYS HB2 1 21 LYS HD2 3.440 . 3.440 3.370 3.280 3.454 0.014 12 0 "[ . 1 . 2]" 1
732 1 21 LYS HA 1 21 LYS HD2 4.360 . 4.360 4.485 4.399 4.527 0.167 15 0 "[ . 1 . 2]" 1
733 1 21 LYS H 1 21 LYS HD3 5.160 . 5.160 4.039 3.813 4.478 . 0 0 "[ . 1 . 2]" 1
734 1 21 LYS HA 1 21 LYS HD3 4.660 . 4.660 4.201 4.052 4.372 . 0 0 "[ . 1 . 2]" 1
735 1 21 LYS HA 1 21 LYS HG2 3.390 . 3.390 3.058 2.905 3.122 . 0 0 "[ . 1 . 2]" 1
736 1 21 LYS H 1 21 LYS HG2 4.400 . 4.400 4.324 4.267 4.402 0.002 4 0 "[ . 1 . 2]" 1
737 1 21 LYS H 1 21 LYS HG3 5.100 . 5.100 4.560 4.515 4.598 . 0 0 "[ . 1 . 2]" 1
738 1 21 LYS H 1 21 LYS QE 5.250 . 5.250 5.293 5.213 5.394 0.144 19 0 "[ . 1 . 2]" 1
739 1 21 LYS HB3 1 21 LYS QE 4.560 . 4.560 3.688 3.572 3.743 . 0 0 "[ . 1 . 2]" 1
740 1 21 LYS HB2 1 21 LYS QE 4.590 . 4.590 4.114 3.989 4.196 . 0 0 "[ . 1 . 2]" 1
741 1 21 LYS HD3 1 22 GLU H 5.050 . 5.050 2.384 2.196 2.894 . 0 0 "[ . 1 . 2]" 1
742 1 21 LYS HD2 1 22 GLU H 4.840 . 4.840 3.252 2.977 3.491 . 0 0 "[ . 1 . 2]" 1
743 1 21 LYS H 1 22 GLU H 3.610 . 3.610 2.801 2.754 2.864 . 0 0 "[ . 1 . 2]" 1
744 1 21 LYS HB3 1 22 GLU H 3.630 . 3.630 3.153 3.006 3.260 . 0 0 "[ . 1 . 2]" 1
745 1 21 LYS HB2 1 22 GLU H 4.230 . 4.230 4.227 4.170 4.271 0.041 10 0 "[ . 1 . 2]" 1
746 1 21 LYS QE 1 22 GLU H 4.610 . 4.610 4.447 4.317 4.641 0.031 20 0 "[ . 1 . 2]" 1
747 1 21 LYS HD2 1 22 GLU HA 5.500 . 5.500 4.516 4.035 4.799 . 0 0 "[ . 1 . 2]" 1
748 1 21 LYS HD3 1 22 GLU HA 5.410 . 5.410 2.803 2.389 3.098 . 0 0 "[ . 1 . 2]" 1
749 1 21 LYS HG2 1 22 GLU HA 4.510 . 4.510 3.455 3.233 3.811 . 0 0 "[ . 1 . 2]" 1
750 1 21 LYS HA 1 22 GLU HA 5.070 . 5.070 4.714 4.594 4.766 . 0 0 "[ . 1 . 2]" 1
751 1 21 LYS HD3 1 22 GLU HG3 4.780 . 4.780 4.614 3.899 4.869 0.089 13 0 "[ . 1 . 2]" 1
752 1 21 LYS HB3 1 22 GLU QB 4.770 . 4.770 4.673 4.411 4.788 0.018 18 0 "[ . 1 . 2]" 1
753 1 21 LYS HD3 1 22 GLU QB 4.580 . 4.580 2.697 2.560 2.894 . 0 0 "[ . 1 . 2]" 1
754 1 21 LYS HD2 1 22 GLU QB 4.720 . 4.720 3.852 3.474 4.057 . 0 0 "[ . 1 . 2]" 1
755 1 21 LYS HD3 1 23 TYR H 5.280 . 5.280 4.610 4.447 4.867 . 0 0 "[ . 1 . 2]" 1
756 1 21 LYS HA 1 24 LYS H 4.050 . 4.050 3.116 2.989 3.438 . 0 0 "[ . 1 . 2]" 1
757 1 21 LYS HA 1 24 LYS HB3 3.670 . 3.670 3.249 3.017 3.619 . 0 0 "[ . 1 . 2]" 1
758 1 21 LYS HA 1 24 LYS QG 3.550 . 3.550 2.068 1.885 2.396 . 0 0 "[ . 1 . 2]" 1
759 1 21 LYS HA 1 25 GLU H 4.470 . 4.470 3.886 3.694 4.282 . 0 0 "[ . 1 . 2]" 1
760 1 21 LYS HG2 1 25 GLU H 4.650 . 4.650 4.168 3.938 4.565 . 0 0 "[ . 1 . 2]" 1
761 1 21 LYS HG2 1 25 GLU HG2 4.530 . 4.530 4.415 2.783 4.555 0.025 19 0 "[ . 1 . 2]" 1
762 1 21 LYS HG2 1 25 GLU HG3 4.530 . 4.530 3.051 2.783 3.734 . 0 0 "[ . 1 . 2]" 1
763 1 21 LYS HG2 1 25 GLU QG 3.920 . 3.920 2.979 2.560 3.569 . 0 0 "[ . 1 . 2]" 1
764 1 21 LYS H 2 27 LEU MD1 5.500 . 5.500 4.849 4.764 4.965 . 0 0 "[ . 1 . 2]" 1
765 1 21 LYS HB2 1 22 GLU HA 5.500 . 5.500 5.526 5.461 5.589 0.089 4 0 "[ . 1 . 2]" 1
766 1 21 LYS HB3 1 22 GLU HA 5.500 . 5.500 5.054 4.877 5.148 . 0 0 "[ . 1 . 2]" 1
767 1 22 GLU H 1 22 GLU HB2 3.670 . 3.670 2.351 2.251 2.593 . 0 0 "[ . 1 . 2]" 1
768 1 22 GLU H 1 22 GLU HB3 3.670 . 3.670 2.760 2.543 2.853 . 0 0 "[ . 1 . 2]" 1
769 1 22 GLU H 1 22 GLU HG2 5.460 . 5.460 4.611 4.530 4.654 . 0 0 "[ . 1 . 2]" 1
770 1 22 GLU HA 1 22 GLU HG3 3.200 . 3.200 2.501 2.187 2.633 . 0 0 "[ . 1 . 2]" 1
771 1 22 GLU H 1 22 GLU HG3 4.430 . 4.430 4.430 4.305 4.468 0.038 10 0 "[ . 1 . 2]" 1
772 1 22 GLU HG2 1 23 TYR H 5.270 . 5.270 4.815 4.368 5.009 . 0 0 "[ . 1 . 2]" 1
773 1 22 GLU HG3 1 23 TYR H 5.000 . 5.000 4.551 4.235 5.097 0.097 20 0 "[ . 1 . 2]" 1
774 1 22 GLU HB2 1 23 TYR H 4.260 . 4.260 3.793 3.649 4.072 . 0 0 "[ . 1 . 2]" 1
775 1 22 GLU HB3 1 23 TYR H 4.260 . 4.260 2.865 2.652 3.068 . 0 0 "[ . 1 . 2]" 1
776 1 22 GLU HA 1 25 GLU H 4.150 . 4.150 3.553 3.130 3.730 . 0 0 "[ . 1 . 2]" 1
777 1 22 GLU HA 1 26 ALA H 4.720 . 4.720 3.979 3.797 4.136 . 0 0 "[ . 1 . 2]" 1
778 1 22 GLU HG3 1 26 ALA MB 5.480 . 5.480 3.833 3.502 4.633 . 0 0 "[ . 1 . 2]" 1
779 1 22 GLU HG2 3 27 LEU MD1 5.500 . 5.500 4.480 4.182 5.405 . 0 0 "[ . 1 . 2]" 1
780 1 22 GLU HG3 3 27 LEU MD2 4.340 . 4.340 2.991 2.505 4.262 . 0 0 "[ . 1 . 2]" 1
781 1 22 GLU HG2 3 27 LEU MD2 4.500 . 4.500 2.675 2.285 2.993 . 0 0 "[ . 1 . 2]" 1
782 1 22 GLU HA 3 27 LEU MD2 5.500 . 5.500 4.641 4.411 5.107 . 0 0 "[ . 1 . 2]" 1
783 1 22 GLU QB 3 30 LEU QD 5.340 . 5.340 3.986 3.705 4.167 . 0 0 "[ . 1 . 2]" 1
784 1 22 GLU HA 3 30 LEU QD 4.230 . 4.230 3.343 3.167 3.454 . 0 0 "[ . 1 . 2]" 1
785 1 23 TYR H 1 23 TYR HB2 4.020 . 4.020 2.545 2.508 2.607 . 0 0 "[ . 1 . 2]" 1
786 1 23 TYR H 1 23 TYR HB3 4.090 . 4.090 2.551 2.514 2.596 . 0 0 "[ . 1 . 2]" 1
787 1 23 TYR HA 1 23 TYR QD 3.350 . 3.350 1.953 1.925 1.989 . 0 0 "[ . 1 . 2]" 1
788 1 23 TYR H 1 23 TYR QD 4.660 . 4.660 4.196 4.180 4.222 . 0 0 "[ . 1 . 2]" 1
789 1 23 TYR H 1 24 LYS H 3.650 . 3.650 2.549 2.504 2.648 . 0 0 "[ . 1 . 2]" 1
790 1 23 TYR QD 1 24 LYS H 4.420 . 4.420 4.225 4.180 4.258 . 0 0 "[ . 1 . 2]" 1
791 1 23 TYR HB3 1 24 LYS H 4.220 . 4.220 2.572 2.504 2.632 . 0 0 "[ . 1 . 2]" 1
792 1 23 TYR QD 1 24 LYS HA 4.820 . 4.820 4.510 4.407 4.585 . 0 0 "[ . 1 . 2]" 1
793 1 23 TYR H 1 24 LYS HA 5.450 . 5.450 5.148 5.104 5.238 . 0 0 "[ . 1 . 2]" 1
794 1 23 TYR QE 1 24 LYS HA 5.500 . 5.500 5.565 5.528 5.628 0.128 10 0 "[ . 1 . 2]" 1
795 1 23 TYR QD 1 24 LYS HB3 5.500 . 5.500 5.282 5.247 5.332 . 0 0 "[ . 1 . 2]" 1
796 1 23 TYR H 1 25 GLU H 5.230 . 5.230 4.002 3.836 4.118 . 0 0 "[ . 1 . 2]" 1
797 1 23 TYR QD 1 26 ALA H 5.500 . 5.500 4.452 4.308 4.575 . 0 0 "[ . 1 . 2]" 1
798 1 23 TYR H 1 26 ALA H 5.500 . 5.500 4.588 4.506 4.669 . 0 0 "[ . 1 . 2]" 1
799 1 23 TYR QD 1 26 ALA MB 3.800 . 3.800 2.566 2.390 2.695 . 0 0 "[ . 1 . 2]" 1
800 1 23 TYR QD 1 27 LEU H 5.500 . 5.500 3.638 3.525 3.741 . 0 0 "[ . 1 . 2]" 1
801 1 23 TYR QE 1 27 LEU H 5.500 . 5.500 4.704 4.586 4.800 . 0 0 "[ . 1 . 2]" 1
802 1 23 TYR QD 1 27 LEU HG 4.400 . 4.400 2.705 2.526 2.866 . 0 0 "[ . 1 . 2]" 1
803 1 23 TYR QE 1 27 LEU HG 4.270 . 4.270 2.805 2.660 3.067 . 0 0 "[ . 1 . 2]" 1
804 1 23 TYR QD 1 27 LEU MD1 4.220 . 4.220 3.352 3.262 3.429 . 0 0 "[ . 1 . 2]" 1
805 1 23 TYR QE 1 27 LEU MD1 3.760 . 3.760 2.982 2.940 3.057 . 0 0 "[ . 1 . 2]" 1
806 1 23 TYR QD 1 27 LEU MD2 4.040 . 4.040 3.545 3.448 3.622 . 0 0 "[ . 1 . 2]" 1
807 1 23 TYR QE 1 27 LEU MD2 3.630 . 3.630 2.196 2.099 2.272 . 0 0 "[ . 1 . 2]" 1
808 1 23 TYR QE 1 30 LEU HG 5.500 . 5.500 5.575 5.531 5.609 0.109 6 0 "[ . 1 . 2]" 1
809 1 23 TYR QE 1 30 LEU QD 4.490 . 4.490 4.039 3.907 4.243 . 0 0 "[ . 1 . 2]" 1
810 1 23 TYR HB2 2 23 TYR QD 4.010 . 4.010 2.490 2.361 2.659 . 0 0 "[ . 1 . 2]" 1
811 1 23 TYR H 2 23 TYR QD 4.970 . 4.970 4.130 3.975 4.318 . 0 0 "[ . 1 . 2]" 1
812 1 23 TYR H 2 23 TYR QE 4.930 . 4.930 3.824 3.503 4.092 . 0 0 "[ . 1 . 2]" 1
813 1 23 TYR HB2 2 23 TYR QE 3.960 . 3.960 2.730 2.407 3.059 . 0 0 "[ . 1 . 2]" 1
814 1 23 TYR HB3 2 23 TYR QE 5.500 . 5.500 3.828 3.455 4.269 . 0 0 "[ . 1 . 2]" 1
815 1 23 TYR HA 3 23 TYR QE 3.730 . 3.730 2.040 1.913 2.164 . 0 0 "[ . 1 . 2]" 1
816 1 23 TYR H 3 23 TYR QE 5.290 . 5.290 3.714 3.558 3.934 . 0 0 "[ . 1 . 2]" 1
817 1 23 TYR HB2 3 23 TYR QE 4.200 . 4.200 3.078 2.925 3.178 . 0 0 "[ . 1 . 2]" 1
818 1 23 TYR HB3 3 23 TYR QE 5.500 . 5.500 4.350 4.290 4.413 . 0 0 "[ . 1 . 2]" 1
819 1 23 TYR QE 3 26 ALA H 5.500 . 5.500 4.632 4.464 4.764 . 0 0 "[ . 1 . 2]" 1
820 1 23 TYR QD 3 26 ALA MB 4.050 . 4.050 3.006 2.871 3.133 . 0 0 "[ . 1 . 2]" 1
821 1 23 TYR QE 3 26 ALA MB 3.660 . 3.660 2.954 2.886 3.043 . 0 0 "[ . 1 . 2]" 1
822 1 23 TYR QD 3 27 LEU MD2 5.160 . 5.160 4.541 4.354 4.642 . 0 0 "[ . 1 . 2]" 1
823 1 23 TYR HA 3 30 LEU QD 4.550 . 4.550 4.222 4.009 4.338 . 0 0 "[ . 1 . 2]" 1
824 1 24 LYS H 1 24 LYS HB2 3.660 . 3.660 3.588 3.578 3.602 . 0 0 "[ . 1 . 2]" 1
825 1 24 LYS H 1 24 LYS HB3 3.450 . 3.450 2.392 2.361 2.416 . 0 0 "[ . 1 . 2]" 1
826 1 24 LYS HA 1 24 LYS HD2 5.120 . 5.120 5.151 5.130 5.179 0.059 5 0 "[ . 1 . 2]" 1
827 1 24 LYS HA 1 24 LYS HD3 5.120 . 5.120 3.867 3.830 3.921 . 0 0 "[ . 1 . 2]" 1
828 1 24 LYS HB3 1 24 LYS HE2 4.610 . 4.610 3.253 3.204 3.308 . 0 0 "[ . 1 . 2]" 1
829 1 24 LYS HE2 1 24 LYS QG 3.550 . 3.550 2.933 2.900 2.968 . 0 0 "[ . 1 . 2]" 1
830 1 24 LYS HE3 1 24 LYS QG 3.610 . 3.610 2.471 2.434 2.504 . 0 0 "[ . 1 . 2]" 1
831 1 24 LYS H 1 24 LYS HE3 5.500 . 5.500 5.565 5.519 5.599 0.099 18 0 "[ . 1 . 2]" 1
832 1 24 LYS HB3 1 24 LYS HE3 4.720 . 4.720 3.703 3.625 3.767 . 0 0 "[ . 1 . 2]" 1
833 1 24 LYS HA 1 24 LYS QD 4.360 . 4.360 3.762 3.729 3.810 . 0 0 "[ . 1 . 2]" 1
834 1 24 LYS H 1 24 LYS QD 4.770 . 4.770 4.171 4.102 4.223 . 0 0 "[ . 1 . 2]" 1
835 1 24 LYS HA 1 24 LYS QG 3.460 . 3.460 3.452 3.432 3.464 0.004 6 0 "[ . 1 . 2]" 1
836 1 24 LYS H 1 24 LYS QG 4.020 . 4.020 2.532 2.463 2.594 . 0 0 "[ . 1 . 2]" 1
837 1 24 LYS HD2 1 25 GLU H 4.530 . 4.530 3.732 3.617 3.912 . 0 0 "[ . 1 . 2]" 1
838 1 24 LYS H 1 25 GLU H 3.870 . 3.870 2.642 2.577 2.712 . 0 0 "[ . 1 . 2]" 1
839 1 24 LYS HB3 1 25 GLU H 4.020 . 4.020 3.811 3.753 3.855 . 0 0 "[ . 1 . 2]" 1
840 1 24 LYS QD 1 25 GLU H 3.840 . 3.840 2.893 2.793 3.047 . 0 0 "[ . 1 . 2]" 1
841 1 24 LYS HD3 1 25 GLU H 4.530 . 4.530 3.014 2.895 3.193 . 0 0 "[ . 1 . 2]" 1
842 1 24 LYS QG 1 25 GLU H 4.830 . 4.830 1.923 1.809 2.045 . 0 0 "[ . 1 . 2]" 1
843 1 24 LYS QD 1 25 GLU QG 3.810 . 3.810 2.705 2.467 3.218 . 0 0 "[ . 1 . 2]" 1
844 1 24 LYS HA 1 26 ALA H 5.350 . 5.350 4.481 4.416 4.571 . 0 0 "[ . 1 . 2]" 1
845 1 24 LYS HA 1 26 ALA MB 5.460 . 5.460 4.783 4.706 4.867 . 0 0 "[ . 1 . 2]" 1
846 1 24 LYS HA 1 27 LEU H 4.440 . 4.440 3.276 3.180 3.333 . 0 0 "[ . 1 . 2]" 1
847 1 24 LYS HA 1 27 LEU HB2 3.940 . 3.940 2.512 2.375 2.605 . 0 0 "[ . 1 . 2]" 1
848 1 24 LYS HA 1 27 LEU HB3 5.060 . 5.060 4.146 3.988 4.262 . 0 0 "[ . 1 . 2]" 1
849 1 24 LYS HA 1 27 LEU HG 4.030 . 4.030 3.463 3.289 3.606 . 0 0 "[ . 1 . 2]" 1
850 1 24 LYS HA 1 27 LEU MD1 3.840 . 3.840 2.477 2.318 2.620 . 0 0 "[ . 1 . 2]" 1
851 1 24 LYS H 1 27 LEU MD1 5.500 . 5.500 4.389 4.219 4.516 . 0 0 "[ . 1 . 2]" 1
852 1 24 LYS HA 1 27 LEU MD2 4.870 . 4.870 4.683 4.573 4.801 . 0 0 "[ . 1 . 2]" 1
853 1 24 LYS HA 1 28 ASP H 4.930 . 4.930 3.828 3.744 3.957 . 0 0 "[ . 1 . 2]" 1
854 1 25 GLU H 1 25 GLU HB2 4.050 . 4.050 2.292 2.002 2.428 . 0 0 "[ . 1 . 2]" 1
855 1 25 GLU H 1 25 GLU HB3 4.050 . 4.050 3.512 3.208 3.606 . 0 0 "[ . 1 . 2]" 1
856 1 25 GLU HA 1 25 GLU HG2 3.750 . 3.750 2.376 2.079 2.656 . 0 0 "[ . 1 . 2]" 1
857 1 25 GLU H 1 25 GLU HG2 3.850 . 3.850 3.580 2.607 3.756 . 0 0 "[ . 1 . 2]" 1
858 1 25 GLU HA 1 25 GLU HG3 3.750 . 3.750 3.179 2.999 3.728 . 0 0 "[ . 1 . 2]" 1
859 1 25 GLU H 1 25 GLU HG3 3.850 . 3.850 2.917 2.442 3.934 0.084 12 0 "[ . 1 . 2]" 1
860 1 25 GLU H 1 25 GLU QB 3.310 . 3.310 2.264 1.983 2.392 . 0 0 "[ . 1 . 2]" 1
861 1 25 GLU HA 1 25 GLU QG 3.210 . 3.210 2.302 2.062 2.602 . 0 0 "[ . 1 . 2]" 1
862 1 25 GLU H 1 25 GLU QG 3.340 . 3.340 2.707 2.402 3.393 0.053 4 0 "[ . 1 . 2]" 1
863 1 25 GLU QG 1 26 ALA H 4.710 . 4.710 4.156 4.021 4.354 . 0 0 "[ . 1 . 2]" 1
864 1 25 GLU H 1 26 ALA H 3.640 . 3.640 2.625 2.575 2.717 . 0 0 "[ . 1 . 2]" 1
865 1 25 GLU QB 1 26 ALA H 3.430 . 3.430 2.444 2.280 2.526 . 0 0 "[ . 1 . 2]" 1
866 1 25 GLU HB3 1 26 ALA H 3.920 . 3.920 3.198 2.614 3.466 . 0 0 "[ . 1 . 2]" 1
867 1 25 GLU HB2 1 26 ALA H 3.920 . 3.920 2.590 2.345 2.935 . 0 0 "[ . 1 . 2]" 1
868 1 25 GLU H 1 26 ALA MB 4.360 . 4.360 4.186 4.139 4.256 . 0 0 "[ . 1 . 2]" 1
869 1 25 GLU H 1 27 LEU H 5.110 . 5.110 4.043 3.964 4.137 . 0 0 "[ . 1 . 2]" 1
870 1 25 GLU HA 1 28 ASP H 4.060 . 4.060 3.465 3.340 3.685 . 0 0 "[ . 1 . 2]" 1
871 1 25 GLU HA 1 28 ASP HB2 3.760 . 3.760 2.487 2.311 2.878 . 0 0 "[ . 1 . 2]" 1
872 1 25 GLU HA 1 29 LEU MD2 5.150 . 5.150 3.802 3.485 4.098 . 0 0 "[ . 1 . 2]" 1
873 1 25 GLU HA 3 30 LEU QD 5.340 . 5.340 3.766 3.608 3.837 . 0 0 "[ . 1 . 2]" 1
874 1 25 GLU HG3 3 30 LEU QD 4.700 . 4.700 4.206 3.711 4.397 . 0 0 "[ . 1 . 2]" 1
875 1 25 GLU HG2 3 30 LEU QD 4.700 . 4.700 4.249 4.005 4.388 . 0 0 "[ . 1 . 2]" 1
876 1 25 GLU QB 3 30 LEU QD 3.420 . 3.420 2.152 1.957 2.250 . 0 0 "[ . 1 . 2]" 1
877 1 25 GLU H 3 30 LEU QD 3.840 . 3.840 3.953 3.905 3.994 0.154 6 0 "[ . 1 . 2]" 1
878 1 26 ALA H 1 26 ALA MB 3.010 . 3.010 2.156 2.142 2.167 . 0 0 "[ . 1 . 2]" 1
879 1 26 ALA MB 1 27 LEU H 3.380 . 3.380 2.515 2.477 2.567 . 0 0 "[ . 1 . 2]" 1
880 1 26 ALA H 1 27 LEU H 3.580 . 3.580 2.762 2.708 2.820 . 0 0 "[ . 1 . 2]" 1
881 1 26 ALA MB 1 27 LEU HG 3.810 . 3.810 3.487 3.349 3.580 . 0 0 "[ . 1 . 2]" 1
882 1 26 ALA H 1 27 LEU HG 4.970 . 4.970 4.831 4.755 4.938 . 0 0 "[ . 1 . 2]" 1
883 1 26 ALA MB 1 27 LEU MD1 5.030 . 5.030 4.640 4.517 4.728 . 0 0 "[ . 1 . 2]" 1
884 1 26 ALA MB 1 28 ASP H 4.560 . 4.560 4.532 4.478 4.570 0.010 7 0 "[ . 1 . 2]" 1
885 1 26 ALA H 1 28 ASP HB2 5.390 . 5.390 4.976 4.903 5.177 . 0 0 "[ . 1 . 2]" 1
886 1 26 ALA HA 1 29 LEU H 4.010 . 4.010 3.484 3.416 3.591 . 0 0 "[ . 1 . 2]" 1
887 1 26 ALA HA 1 29 LEU HB2 3.830 . 3.830 2.602 2.515 2.681 . 0 0 "[ . 1 . 2]" 1
888 1 26 ALA HA 1 29 LEU HB3 4.220 . 4.220 3.748 3.482 4.008 . 0 0 "[ . 1 . 2]" 1
889 1 26 ALA H 3 26 ALA MB 3.940 . 3.940 4.039 4.013 4.063 0.123 19 0 "[ . 1 . 2]" 1
890 1 26 ALA MB 3 27 LEU H 3.710 . 3.710 3.089 2.992 3.151 . 0 0 "[ . 1 . 2]" 1
891 1 26 ALA MB 3 27 LEU HG 4.080 . 4.080 3.364 3.097 3.514 . 0 0 "[ . 1 . 2]" 1
892 1 26 ALA MB 3 27 LEU MD1 5.350 . 5.350 4.401 4.176 4.535 . 0 0 "[ . 1 . 2]" 1
893 1 26 ALA HA 3 27 LEU MD2 5.090 . 5.090 4.663 4.355 4.856 . 0 0 "[ . 1 . 2]" 1
894 1 26 ALA MB 3 27 LEU MD2 3.140 . 3.140 2.558 2.355 2.700 . 0 0 "[ . 1 . 2]" 1
895 1 26 ALA H 3 27 LEU MD2 4.590 . 4.590 4.525 4.190 4.681 0.091 9 0 "[ . 1 . 2]" 1
896 1 26 ALA MB 3 28 ASP H 4.760 . 4.760 4.822 4.784 4.879 0.119 11 0 "[ . 1 . 2]" 1
897 1 26 ALA MB 3 30 LEU H 3.820 . 3.820 3.809 3.705 3.876 0.056 10 0 "[ . 1 . 2]" 1
898 1 26 ALA HA 3 30 LEU H 4.410 . 4.410 4.128 4.032 4.218 . 0 0 "[ . 1 . 2]" 1
899 1 26 ALA HA 3 30 LEU HG 3.290 . 3.290 1.812 1.775 1.912 . 0 0 "[ . 1 . 2]" 1
900 1 26 ALA MB 3 30 LEU HG 2.940 . 2.940 2.184 2.116 2.280 . 0 0 "[ . 1 . 2]" 1
901 1 26 ALA H 3 30 LEU HG 3.590 . 3.590 3.701 3.665 3.730 0.140 11 0 "[ . 1 . 2]" 1
902 1 26 ALA MB 3 30 LEU QD 3.080 . 3.080 2.020 1.959 2.079 . 0 0 "[ . 1 . 2]" 1
903 1 26 ALA H 3 30 LEU QD 3.460 . 3.460 2.397 2.315 2.479 . 0 0 "[ . 1 . 2]" 1
904 1 26 ALA HA 3 30 LEU QD 3.110 . 3.110 2.067 1.953 2.164 . 0 0 "[ . 1 . 2]" 1
905 1 27 LEU H 1 27 LEU HB2 3.500 . 3.500 2.426 2.381 2.487 . 0 0 "[ . 1 . 2]" 1
906 1 27 LEU HA 1 27 LEU HG 3.990 . 3.990 3.012 2.985 3.074 . 0 0 "[ . 1 . 2]" 1
907 1 27 LEU H 1 27 LEU HG 3.210 . 3.210 2.503 2.414 2.575 . 0 0 "[ . 1 . 2]" 1
908 1 27 LEU HA 1 27 LEU MD1 4.010 . 4.010 3.860 3.848 3.878 . 0 0 "[ . 1 . 2]" 1
909 1 27 LEU HB3 1 27 LEU MD1 3.180 . 3.180 2.420 2.376 2.446 . 0 0 "[ . 1 . 2]" 1
910 1 27 LEU HB2 1 27 LEU MD1 3.140 . 3.140 2.248 2.188 2.313 . 0 0 "[ . 1 . 2]" 1
911 1 27 LEU H 1 27 LEU MD1 4.000 . 4.000 3.658 3.575 3.738 . 0 0 "[ . 1 . 2]" 1
912 1 27 LEU HA 1 27 LEU MD2 2.840 . 2.840 2.097 2.006 2.156 . 0 0 "[ . 1 . 2]" 1
913 1 27 LEU H 1 27 LEU MD2 3.610 . 3.610 3.563 3.472 3.625 0.015 5 0 "[ . 1 . 2]" 1
914 1 27 LEU HB2 1 27 LEU MD2 3.210 . 3.210 3.192 3.186 3.202 . 0 0 "[ . 1 . 2]" 1
915 1 27 LEU HB3 1 27 LEU MD2 3.010 . 3.010 2.313 2.284 2.339 . 0 0 "[ . 1 . 2]" 1
916 1 27 LEU MD2 1 28 ASP H 4.800 . 4.800 4.695 4.664 4.720 . 0 0 "[ . 1 . 2]" 1
917 1 27 LEU MD1 1 28 ASP H 4.720 . 4.720 4.437 4.347 4.523 . 0 0 "[ . 1 . 2]" 1
918 1 27 LEU H 1 28 ASP H 3.550 . 3.550 2.628 2.594 2.680 . 0 0 "[ . 1 . 2]" 1
919 1 27 LEU HG 1 28 ASP H 5.480 . 5.480 4.448 4.369 4.519 . 0 0 "[ . 1 . 2]" 1
920 1 27 LEU HB2 1 28 ASP H 3.610 . 3.610 2.566 2.515 2.627 . 0 0 "[ . 1 . 2]" 1
921 1 27 LEU HB3 1 28 ASP H 3.780 . 3.780 3.488 3.435 3.554 . 0 0 "[ . 1 . 2]" 1
922 1 27 LEU HA 1 30 LEU H 4.010 . 4.010 3.188 3.045 3.286 . 0 0 "[ . 1 . 2]" 1
923 1 27 LEU MD2 1 30 LEU H 5.200 . 5.200 4.767 4.636 4.869 . 0 0 "[ . 1 . 2]" 1
924 1 27 LEU MD2 1 30 LEU HB2 4.700 . 4.700 3.419 3.287 3.586 . 0 0 "[ . 1 . 2]" 1
925 1 27 LEU MD2 1 30 LEU HB3 4.700 . 4.700 4.252 4.073 4.444 . 0 0 "[ . 1 . 2]" 1
926 1 27 LEU HA 1 30 LEU HG 3.380 . 3.380 3.103 2.956 3.277 . 0 0 "[ . 1 . 2]" 1
927 1 27 LEU H 1 30 LEU HG 4.940 . 4.940 4.853 4.737 4.951 0.011 17 0 "[ . 1 . 2]" 1
928 1 27 LEU MD2 1 30 LEU QB 4.120 . 4.120 3.285 3.165 3.443 . 0 0 "[ . 1 . 2]" 1
929 1 27 LEU H 1 30 LEU QD 5.080 . 5.080 4.751 4.695 4.866 . 0 0 "[ . 1 . 2]" 1
930 1 27 LEU HA 1 31 ASP H 4.880 . 4.880 4.195 3.934 4.453 . 0 0 "[ . 1 . 2]" 1
931 1 27 LEU H 2 16 LYS HD3 5.500 . 5.500 4.973 4.890 5.099 . 0 0 "[ . 1 . 2]" 1
932 1 27 LEU H 3 30 LEU QD 5.340 . 5.340 4.234 4.178 4.283 . 0 0 "[ . 1 . 2]" 1
933 1 28 ASP H 1 28 ASP HB2 3.440 . 3.440 2.274 2.203 2.374 . 0 0 "[ . 1 . 2]" 1
934 1 28 ASP H 1 28 ASP HB3 3.680 . 3.680 3.550 3.506 3.597 . 0 0 "[ . 1 . 2]" 1
935 1 28 ASP HB2 1 29 LEU H 3.790 . 3.790 2.862 2.724 3.009 . 0 0 "[ . 1 . 2]" 1
936 1 28 ASP HB3 1 29 LEU H 4.040 . 4.040 3.454 3.296 3.611 . 0 0 "[ . 1 . 2]" 1
937 1 28 ASP H 1 29 LEU H 3.560 . 3.560 2.624 2.577 2.685 . 0 0 "[ . 1 . 2]" 1
938 1 28 ASP HB2 1 29 LEU HA 5.140 . 5.140 4.741 4.565 4.878 . 0 0 "[ . 1 . 2]" 1
939 1 28 ASP HB3 1 29 LEU HA 5.490 . 5.490 4.234 4.146 4.355 . 0 0 "[ . 1 . 2]" 1
940 1 28 ASP HA 1 29 LEU HA 5.000 . 5.000 4.735 4.686 4.761 . 0 0 "[ . 1 . 2]" 1
941 1 28 ASP H 1 29 LEU HB2 5.500 . 5.500 4.437 4.369 4.511 . 0 0 "[ . 1 . 2]" 1
942 1 28 ASP H 1 29 LEU MD2 4.880 . 4.880 4.596 4.461 4.848 . 0 0 "[ . 1 . 2]" 1
943 1 28 ASP HA 1 30 LEU H 5.030 . 5.030 4.479 4.357 4.550 . 0 0 "[ . 1 . 2]" 1
944 1 28 ASP H 1 30 LEU H 5.310 . 5.310 4.056 3.987 4.100 . 0 0 "[ . 1 . 2]" 1
945 1 28 ASP HA 1 31 ASP H 4.440 . 4.440 3.597 3.401 3.836 . 0 0 "[ . 1 . 2]" 1
946 1 28 ASP H 3 30 LEU QD 4.900 . 4.900 4.712 4.603 4.777 . 0 0 "[ . 1 . 2]" 1
947 1 28 ASP HB2 3 45 ASN QD 4.990 . 4.990 3.983 3.420 4.545 . 0 0 "[ . 1 . 2]" 1
948 1 28 ASP HB3 3 45 ASN QD 4.720 . 4.720 2.535 1.930 3.277 . 0 0 "[ . 1 . 2]" 1
949 1 29 LEU H 1 29 LEU HB2 3.490 . 3.490 2.075 2.040 2.093 . 0 0 "[ . 1 . 2]" 1
950 1 29 LEU H 1 29 LEU HB3 3.340 . 3.340 3.330 3.228 3.394 0.054 14 0 "[ . 1 . 2]" 1
951 1 29 LEU HA 1 29 LEU HG 3.950 . 3.950 3.643 3.621 3.670 . 0 0 "[ . 1 . 2]" 1
952 1 29 LEU HB2 1 29 LEU HG 3.000 . 3.000 2.401 2.378 2.416 . 0 0 "[ . 1 . 2]" 1
953 1 29 LEU HA 1 29 LEU MD1 3.020 . 3.020 2.089 2.034 2.141 . 0 0 "[ . 1 . 2]" 1
954 1 29 LEU HB2 1 29 LEU MD1 3.370 . 3.370 3.184 3.178 3.194 . 0 0 "[ . 1 . 2]" 1
955 1 29 LEU HB3 1 29 LEU MD1 3.000 . 3.000 2.323 2.297 2.357 . 0 0 "[ . 1 . 2]" 1
956 1 29 LEU H 1 29 LEU MD1 4.230 . 4.230 4.169 4.109 4.240 0.010 3 0 "[ . 1 . 2]" 1
957 1 29 LEU H 1 29 LEU MD2 3.720 . 3.720 2.847 2.660 3.147 . 0 0 "[ . 1 . 2]" 1
958 1 29 LEU HB3 1 29 LEU MD2 3.360 . 3.360 3.214 3.206 3.221 . 0 0 "[ . 1 . 2]" 1
959 1 29 LEU HA 1 29 LEU MD2 3.810 . 3.810 2.080 1.994 2.165 . 0 0 "[ . 1 . 2]" 1
960 1 29 LEU HB2 1 29 LEU MD2 3.140 . 3.140 2.453 2.410 2.503 . 0 0 "[ . 1 . 2]" 1
961 1 29 LEU HB3 1 30 LEU H 4.150 . 4.150 3.102 2.943 3.185 . 0 0 "[ . 1 . 2]" 1
962 1 29 LEU HB3 1 30 LEU HA 5.480 . 5.480 4.018 3.941 4.094 . 0 0 "[ . 1 . 2]" 1
963 1 29 LEU HA 1 31 ASP H 5.010 . 5.010 4.140 3.910 4.433 . 0 0 "[ . 1 . 2]" 1
964 1 29 LEU H 1 31 ASP H 5.400 . 5.400 4.028 3.785 4.212 . 0 0 "[ . 1 . 2]" 1
965 1 29 LEU MD1 1 32 TYR HA 5.500 . 5.500 5.267 5.081 5.492 . 0 0 "[ . 1 . 2]" 1
966 1 29 LEU HA 1 32 TYR HB2 4.060 . 4.060 2.989 2.770 3.163 . 0 0 "[ . 1 . 2]" 1
967 1 29 LEU MD1 1 32 TYR HB2 4.150 . 4.150 3.938 3.712 4.150 0.000 14 0 "[ . 1 . 2]" 1
968 1 29 LEU MD2 1 32 TYR HB3 4.720 . 4.720 3.461 3.153 3.612 . 0 0 "[ . 1 . 2]" 1
969 1 29 LEU HA 1 32 TYR HB3 3.840 . 3.840 2.140 2.041 2.205 . 0 0 "[ . 1 . 2]" 1
970 1 29 LEU MD1 1 32 TYR HB3 3.760 . 3.760 2.589 2.386 2.830 . 0 0 "[ . 1 . 2]" 1
971 1 29 LEU MD2 1 32 TYR QD 4.800 . 4.800 3.866 3.533 4.172 . 0 0 "[ . 1 . 2]" 1
972 1 29 LEU MD1 1 32 TYR QD 3.520 . 3.520 2.471 2.336 2.705 . 0 0 "[ . 1 . 2]" 1
973 1 29 LEU HA 1 32 TYR QD 4.260 . 4.260 3.641 3.542 3.741 . 0 0 "[ . 1 . 2]" 1
974 1 29 LEU HA 1 32 TYR QE 5.500 . 5.500 5.623 5.537 5.700 0.200 4 0 "[ . 1 . 2]" 1
975 1 29 LEU MD2 1 32 TYR QE 5.500 . 5.500 4.952 4.604 5.184 . 0 0 "[ . 1 . 2]" 1
976 1 29 LEU MD1 1 32 TYR QE 4.630 . 4.630 3.970 3.912 4.054 . 0 0 "[ . 1 . 2]" 1
977 1 29 LEU HA 1 33 VAL H 4.590 . 4.590 3.629 3.520 3.816 . 0 0 "[ . 1 . 2]" 1
978 1 29 LEU HA 1 33 VAL MG1 4.940 . 4.940 4.161 3.983 4.264 . 0 0 "[ . 1 . 2]" 1
979 1 29 LEU HB3 1 33 VAL MG1 5.450 . 5.450 4.467 4.184 4.654 . 0 0 "[ . 1 . 2]" 1
980 1 29 LEU HB3 1 33 VAL MG2 4.620 . 4.620 3.343 3.220 3.540 . 0 0 "[ . 1 . 2]" 1
981 1 29 LEU HB2 1 33 VAL MG2 5.360 . 5.360 4.720 4.603 4.896 . 0 0 "[ . 1 . 2]" 1
982 1 29 LEU HA 1 33 VAL MG2 4.060 . 4.060 3.596 3.522 3.758 . 0 0 "[ . 1 . 2]" 1
983 1 29 LEU HB2 3 30 LEU HA 4.610 . 4.610 4.122 3.704 4.394 . 0 0 "[ . 1 . 2]" 1
984 1 29 LEU HB3 3 30 LEU HA 5.500 . 5.500 3.894 3.599 4.097 . 0 0 "[ . 1 . 2]" 1
985 1 29 LEU H 3 30 LEU QD 3.820 . 3.820 3.595 3.501 3.685 . 0 0 "[ . 1 . 2]" 1
986 1 29 LEU HG 3 33 VAL H 5.500 . 5.500 5.574 5.547 5.638 0.138 7 0 "[ . 1 . 2]" 1
987 1 29 LEU MD1 3 33 VAL H 4.000 . 4.000 4.198 4.130 4.261 0.261 20 0 "[ . 1 . 2]" 1
988 1 29 LEU HB3 3 33 VAL MG2 5.070 . 5.070 3.452 3.174 3.785 . 0 0 "[ . 1 . 2]" 1
989 1 29 LEU HB2 3 33 VAL MG2 5.500 . 5.500 4.585 4.366 4.794 . 0 0 "[ . 1 . 2]" 1
990 1 29 LEU MD2 3 38 LYS H 4.370 . 4.370 4.180 3.882 4.410 0.040 14 0 "[ . 1 . 2]" 1
991 1 29 LEU MD1 3 38 LYS H 4.060 . 4.060 3.866 3.671 4.088 0.028 2 0 "[ . 1 . 2]" 1
992 1 29 LEU MD2 3 38 LYS HA 3.280 . 3.280 2.026 1.814 2.186 . 0 0 "[ . 1 . 2]" 1
993 1 29 LEU MD1 3 38 LYS HA 3.440 . 3.440 2.990 2.632 3.422 . 0 0 "[ . 1 . 2]" 1
994 1 29 LEU MD1 3 41 CYS H 5.100 . 5.100 4.761 4.621 5.020 . 0 0 "[ . 1 . 2]" 1
995 1 29 LEU MD1 3 41 CYS HA 5.360 . 5.360 5.225 5.104 5.391 0.031 20 0 "[ . 1 . 2]" 1
996 1 29 LEU HA 3 41 CYS HA 5.500 . 5.500 5.566 5.501 5.628 0.128 14 0 "[ . 1 . 2]" 1
997 1 29 LEU MD1 3 41 CYS HB2 4.120 . 4.120 3.208 3.088 3.393 . 0 0 "[ . 1 . 2]" 1
998 1 29 LEU HA 3 41 CYS HB2 5.500 . 5.500 3.735 3.653 3.833 . 0 0 "[ . 1 . 2]" 1
999 1 29 LEU HA 3 41 CYS HB3 5.500 . 5.500 4.389 4.296 4.493 . 0 0 "[ . 1 . 2]" 1
1000 1 29 LEU MD1 3 41 CYS HB3 4.120 . 4.120 3.671 3.453 4.041 . 0 0 "[ . 1 . 2]" 1
1001 1 29 LEU MD1 3 41 CYS QB 3.440 . 3.440 3.016 2.897 3.227 . 0 0 "[ . 1 . 2]" 1
1002 1 29 LEU MD2 3 42 CYS H 4.030 . 4.030 4.236 4.165 4.298 0.268 3 0 "[ . 1 . 2]" 1
1003 1 30 LEU H 1 30 LEU HB2 3.700 . 3.700 2.311 2.264 2.367 . 0 0 "[ . 1 . 2]" 1
1004 1 30 LEU H 1 30 LEU HB3 3.700 . 3.700 3.572 3.547 3.596 . 0 0 "[ . 1 . 2]" 1
1005 1 30 LEU H 1 30 LEU HG 3.520 . 3.520 2.900 2.787 2.985 . 0 0 "[ . 1 . 2]" 1
1006 1 30 LEU H 1 30 LEU QB 3.190 . 3.190 2.284 2.239 2.337 . 0 0 "[ . 1 . 2]" 1
1007 1 30 LEU H 1 30 LEU QD 4.130 . 4.130 3.235 3.137 3.294 . 0 0 "[ . 1 . 2]" 1
1008 1 30 LEU HA 1 30 LEU QD 2.900 . 2.900 1.788 1.723 1.882 . 0 0 "[ . 1 . 2]" 1
1009 1 30 LEU QD 1 31 ASP H 4.400 . 4.400 4.138 4.064 4.201 . 0 0 "[ . 1 . 2]" 1
1010 1 30 LEU HG 1 31 ASP H 4.780 . 4.780 4.768 4.651 4.817 0.037 4 0 "[ . 1 . 2]" 1
1011 1 30 LEU H 1 31 ASP H 3.280 . 3.280 2.706 2.570 2.805 . 0 0 "[ . 1 . 2]" 1
1012 1 30 LEU HB2 1 31 ASP H 3.810 . 3.810 2.787 2.650 2.916 . 0 0 "[ . 1 . 2]" 1
1013 1 30 LEU HB3 1 31 ASP H 3.810 . 3.810 3.371 3.136 3.538 . 0 0 "[ . 1 . 2]" 1
1014 1 30 LEU QB 1 31 ASP HA 4.830 . 4.830 3.899 3.841 3.956 . 0 0 "[ . 1 . 2]" 1
1015 1 30 LEU HB3 1 31 ASP HA 5.480 . 5.480 4.152 4.050 4.239 . 0 0 "[ . 1 . 2]" 1
1016 1 30 LEU HB2 1 31 ASP HA 5.480 . 5.480 4.734 4.623 4.808 . 0 0 "[ . 1 . 2]" 1
1017 1 30 LEU QB 1 31 ASP QB 4.970 . 4.970 3.783 3.462 4.095 . 0 0 "[ . 1 . 2]" 1
1018 1 30 LEU H 1 31 ASP QB 4.870 . 4.870 4.608 4.320 4.847 . 0 0 "[ . 1 . 2]" 1
1019 1 30 LEU HA 1 32 TYR H 5.030 . 5.030 3.691 3.618 3.780 . 0 0 "[ . 1 . 2]" 1
1020 1 30 LEU QB 1 32 TYR H 5.340 . 5.340 4.413 4.352 4.509 . 0 0 "[ . 1 . 2]" 1
1021 1 30 LEU HA 1 38 LYS QD 3.960 . 3.960 3.719 3.316 4.011 0.051 12 0 "[ . 1 . 2]" 1
1022 1 30 LEU HA 1 38 LYS QE 4.680 . 4.680 3.578 2.880 4.186 . 0 0 "[ . 1 . 2]" 1
1023 1 30 LEU HG 1 38 LYS QE 4.590 . 4.590 4.520 4.352 4.649 0.059 19 0 "[ . 1 . 2]" 1
1024 1 30 LEU QD 1 38 LYS QE 3.670 . 3.670 1.838 1.726 1.944 . 0 0 "[ . 1 . 2]" 1
1025 1 31 ASP H 1 32 TYR H 3.470 . 3.470 2.799 2.613 3.004 . 0 0 "[ . 1 . 2]" 1
1026 1 31 ASP QB 1 32 TYR H 4.040 . 4.040 3.765 3.664 3.879 . 0 0 "[ . 1 . 2]" 1
1027 1 31 ASP QB 1 32 TYR HA 4.630 . 4.630 4.356 4.176 4.634 0.004 13 0 "[ . 1 . 2]" 1
1028 1 31 ASP H 1 32 TYR HA 5.300 . 5.300 4.947 4.836 5.084 . 0 0 "[ . 1 . 2]" 1
1029 1 31 ASP H 1 32 TYR HB2 4.880 . 4.880 4.423 4.255 4.565 . 0 0 "[ . 1 . 2]" 1
1030 1 31 ASP H 1 32 TYR HB3 4.680 . 4.680 4.486 4.340 4.674 . 0 0 "[ . 1 . 2]" 1
1031 1 32 TYR H 1 32 TYR HB2 3.440 . 3.440 3.218 3.090 3.309 . 0 0 "[ . 1 . 2]" 1
1032 1 32 TYR H 1 32 TYR HB3 3.430 . 3.430 2.697 2.595 2.754 . 0 0 "[ . 1 . 2]" 1
1033 1 32 TYR HA 1 32 TYR QD 3.470 . 3.470 2.664 2.460 2.874 . 0 0 "[ . 1 . 2]" 1
1034 1 32 TYR H 1 32 TYR QD 4.250 . 4.250 4.313 4.264 4.343 0.093 11 0 "[ . 1 . 2]" 1
1035 1 32 TYR HA 1 32 TYR QE 4.770 . 4.770 4.550 4.432 4.666 . 0 0 "[ . 1 . 2]" 1
1036 1 32 TYR HB2 1 33 VAL H 4.170 . 4.170 3.775 3.691 3.871 . 0 0 "[ . 1 . 2]" 1
1037 1 32 TYR HB3 1 33 VAL H 3.920 . 3.920 2.304 2.199 2.435 . 0 0 "[ . 1 . 2]" 1
1038 1 32 TYR QD 1 33 VAL HA 3.910 . 3.910 3.307 3.072 3.465 . 0 0 "[ . 1 . 2]" 1
1039 1 32 TYR H 1 33 VAL HA 5.070 . 5.070 4.804 4.751 4.860 . 0 0 "[ . 1 . 2]" 1
1040 1 32 TYR H 1 33 VAL HB 5.500 . 5.500 5.658 5.604 5.701 0.201 5 0 "[ . 1 . 2]" 1
1041 1 32 TYR QD 1 33 VAL MG1 3.500 . 3.500 1.741 1.695 1.792 . 0 0 "[ . 1 . 2]" 1
1042 1 32 TYR QE 1 33 VAL MG1 4.160 . 4.160 2.955 2.893 3.013 . 0 0 "[ . 1 . 2]" 1
1043 1 32 TYR HB2 1 33 VAL MG2 4.750 . 4.750 4.702 4.586 4.784 0.034 14 0 "[ . 1 . 2]" 1
1044 1 32 TYR QD 1 33 VAL MG2 3.290 . 3.290 3.356 3.315 3.391 0.101 18 0 "[ . 1 . 2]" 1
1045 1 32 TYR HA 1 33 VAL MG2 4.850 . 4.850 4.841 4.812 4.873 0.023 17 0 "[ . 1 . 2]" 1
1046 1 32 TYR HB3 1 33 VAL MG2 3.960 . 3.960 3.192 3.065 3.298 . 0 0 "[ . 1 . 2]" 1
1047 1 32 TYR QD 1 34 GLN H 5.500 . 5.500 5.453 5.296 5.579 0.079 16 0 "[ . 1 . 2]" 1
1048 1 32 TYR H 1 38 LYS QD 5.500 . 5.500 5.379 4.856 5.624 0.124 11 0 "[ . 1 . 2]" 1
1049 1 32 TYR QE 3 37 VAL HA 3.860 . 3.860 2.779 2.654 2.895 . 0 0 "[ . 1 . 2]" 1
1050 1 32 TYR QD 3 37 VAL HA 5.320 . 5.320 4.728 4.610 4.831 . 0 0 "[ . 1 . 2]" 1
1051 1 32 TYR QD 3 37 VAL HB 5.500 . 5.500 3.060 2.983 3.135 . 0 0 "[ . 1 . 2]" 1
1052 1 32 TYR QE 3 37 VAL HB 4.670 . 4.670 1.650 1.621 1.697 . 0 0 "[ . 1 . 2]" 1
1053 1 32 TYR QE 3 37 VAL MG1 3.330 . 3.330 3.268 3.188 3.335 0.005 3 0 "[ . 1 . 2]" 1
1054 1 32 TYR QD 3 37 VAL MG1 3.930 . 3.930 4.291 4.240 4.337 0.407 6 0 "[ . 1 . 2]" 1
1055 1 32 TYR QD 3 37 VAL MG2 3.120 . 3.120 2.749 2.583 2.908 . 0 0 "[ . 1 . 2]" 1
1056 1 32 TYR QE 3 37 VAL MG2 2.720 . 2.720 2.948 2.905 2.994 0.274 14 0 "[ . 1 . 2]" 1
1057 1 32 TYR QD 3 38 LYS HA 5.500 . 5.500 4.844 4.667 5.018 . 0 0 "[ . 1 . 2]" 1
1058 1 32 TYR QE 3 38 LYS HA 5.500 . 5.500 5.019 4.850 5.103 . 0 0 "[ . 1 . 2]" 1
1059 1 32 TYR QE 3 40 ALA H 5.500 . 5.500 4.918 4.821 5.025 . 0 0 "[ . 1 . 2]" 1
1060 1 32 TYR QE 3 40 ALA HA 5.480 . 5.480 5.076 4.965 5.126 . 0 0 "[ . 1 . 2]" 1
1061 1 32 TYR QE 3 40 ALA MB 3.000 . 3.000 3.047 2.969 3.094 0.094 17 0 "[ . 1 . 2]" 1
1062 1 32 TYR QD 3 40 ALA MB 4.840 . 4.840 4.624 4.555 4.692 . 0 0 "[ . 1 . 2]" 1
1063 1 32 TYR QE 3 41 CYS H 4.710 . 4.710 3.726 3.640 3.793 . 0 0 "[ . 1 . 2]" 1
1064 1 32 TYR QE 3 41 CYS HA 3.730 . 3.730 2.906 2.776 3.042 . 0 0 "[ . 1 . 2]" 1
1065 1 32 TYR QD 3 41 CYS HA 3.960 . 3.960 2.937 2.724 3.049 . 0 0 "[ . 1 . 2]" 1
1066 1 32 TYR QD 3 41 CYS HB2 4.300 . 4.300 2.852 2.742 2.946 . 0 0 "[ . 1 . 2]" 1
1067 1 32 TYR QE 3 41 CYS HB2 4.520 . 4.520 3.399 3.329 3.498 . 0 0 "[ . 1 . 2]" 1
1068 1 32 TYR QE 3 41 CYS HB3 4.520 . 4.520 4.592 4.563 4.620 0.100 20 0 "[ . 1 . 2]" 1
1069 1 32 TYR QD 3 41 CYS HB3 4.300 . 4.300 4.244 4.141 4.314 0.014 3 0 "[ . 1 . 2]" 1
1070 1 32 TYR QE 3 41 CYS QB 3.970 . 3.970 3.314 3.254 3.398 . 0 0 "[ . 1 . 2]" 1
1071 1 32 TYR QE 3 44 ARG H 5.500 . 5.500 4.631 4.486 4.752 . 0 0 "[ . 1 . 2]" 1
1072 1 32 TYR QE 3 44 ARG HA 4.330 . 4.330 4.374 4.192 4.438 0.108 6 0 "[ . 1 . 2]" 1
1073 1 32 TYR QD 3 44 ARG HA 4.960 . 4.960 5.143 5.089 5.196 0.236 3 0 "[ . 1 . 2]" 1
1074 1 32 TYR QD 3 44 ARG HD2 3.700 . 3.700 2.309 1.706 2.769 . 0 0 "[ . 1 . 2]" 1
1075 1 32 TYR QE 3 44 ARG HD2 3.320 . 3.320 3.304 2.330 3.459 0.139 8 0 "[ . 1 . 2]" 1
1076 1 32 TYR HA 3 44 ARG HD2 3.990 . 3.990 3.492 3.033 4.054 0.064 14 0 "[ . 1 . 2]" 1
1077 1 32 TYR QD 3 44 ARG HD3 3.700 . 3.700 2.094 1.955 2.400 . 0 0 "[ . 1 . 2]" 1
1078 1 32 TYR QE 3 44 ARG HD3 3.360 . 3.360 3.479 3.380 3.580 0.220 14 0 "[ . 1 . 2]" 1
1079 1 32 TYR QD 3 44 ARG HG2 3.820 . 3.820 3.947 3.847 4.060 0.240 20 0 "[ . 1 . 2]" 1
1080 1 32 TYR QE 3 44 ARG HG2 3.610 . 3.610 3.392 3.192 3.681 0.071 20 0 "[ . 1 . 2]" 1
1081 1 32 TYR QD 3 44 ARG HG3 3.820 . 3.820 2.760 2.623 3.505 . 0 0 "[ . 1 . 2]" 1
1082 1 32 TYR QE 3 44 ARG HG3 3.610 . 3.610 1.805 1.642 2.301 . 0 0 "[ . 1 . 2]" 1
1083 1 32 TYR QD 3 44 ARG QB 4.110 . 4.110 2.492 2.316 2.609 . 0 0 "[ . 1 . 2]" 1
1084 1 32 TYR QE 3 44 ARG QB 3.500 . 3.500 2.094 1.948 2.205 . 0 0 "[ . 1 . 2]" 1
1085 1 32 TYR QE 3 44 ARG QD 4.010 . 4.010 3.003 2.292 3.131 . 0 0 "[ . 1 . 2]" 1
1086 1 32 TYR QE 3 44 ARG QG 3.060 . 3.060 1.797 1.637 2.279 . 0 0 "[ . 1 . 2]" 1
1087 1 33 VAL H 1 33 VAL HB 3.670 . 3.670 3.523 3.508 3.540 . 0 0 "[ . 1 . 2]" 1
1088 1 33 VAL HA 1 33 VAL MG1 3.110 . 3.110 2.225 2.201 2.259 . 0 0 "[ . 1 . 2]" 1
1089 1 33 VAL H 1 33 VAL MG1 3.260 . 3.260 2.625 2.524 2.721 . 0 0 "[ . 1 . 2]" 1
1090 1 33 VAL HA 1 33 VAL MG2 3.310 . 3.310 3.160 3.149 3.169 . 0 0 "[ . 1 . 2]" 1
1091 1 33 VAL H 1 33 VAL MG2 2.940 . 2.940 1.663 1.635 1.685 . 0 0 "[ . 1 . 2]" 1
1092 1 33 VAL HA 1 34 GLN H 3.080 . 3.080 2.311 2.217 2.370 . 0 0 "[ . 1 . 2]" 1
1093 1 33 VAL MG1 1 34 GLN H 3.380 . 3.380 3.332 3.270 3.407 0.027 16 0 "[ . 1 . 2]" 1
1094 1 33 VAL HB 1 34 GLN H 3.440 . 3.440 2.547 2.425 2.743 . 0 0 "[ . 1 . 2]" 1
1095 1 33 VAL H 1 34 GLN H 4.740 . 4.740 4.576 4.545 4.599 . 0 0 "[ . 1 . 2]" 1
1096 1 33 VAL MG1 1 34 GLN HA 5.370 . 5.370 5.459 5.428 5.503 0.133 16 0 "[ . 1 . 2]" 1
1097 1 33 VAL HA 1 34 GLN QG 4.160 . 4.160 3.578 3.474 3.742 . 0 0 "[ . 1 . 2]" 1
1098 1 33 VAL HB 1 37 VAL MG2 3.690 . 3.690 1.867 1.720 2.018 . 0 0 "[ . 1 . 2]" 1
1099 1 33 VAL H 3 33 VAL MG1 4.090 . 4.090 4.399 4.361 4.431 0.341 10 0 "[ . 1 . 2]" 1
1100 1 33 VAL HB 3 33 VAL MG1 3.330 . 3.330 2.233 2.104 2.333 . 0 0 "[ . 1 . 2]" 1
1101 1 33 VAL MG1 3 33 VAL MG2 2.970 . 2.970 1.902 1.791 2.024 . 0 0 "[ . 1 . 2]" 1
1102 1 33 VAL MG1 3 34 GLN H 4.310 . 4.310 4.265 4.138 4.363 0.053 11 0 "[ . 1 . 2]" 1
1103 1 33 VAL MG1 3 37 VAL H 5.070 . 5.070 5.102 5.017 5.200 0.130 5 0 "[ . 1 . 2]" 1
1104 1 33 VAL MG1 3 37 VAL HB 3.690 . 3.690 2.702 2.614 2.779 . 0 0 "[ . 1 . 2]" 1
1105 1 34 GLN H 1 34 GLN HB2 3.550 . 3.550 2.733 2.637 2.806 . 0 0 "[ . 1 . 2]" 1
1106 1 34 GLN H 1 34 GLN HB3 3.920 . 3.920 3.566 3.540 3.603 . 0 0 "[ . 1 . 2]" 1
1107 1 34 GLN HA 1 34 GLN QE 4.860 . 4.860 3.924 2.367 4.901 0.041 13 0 "[ . 1 . 2]" 1
1108 1 34 GLN HB2 1 34 GLN QG 2.760 . 2.760 2.244 2.149 2.353 . 0 0 "[ . 1 . 2]" 1
1109 1 34 GLN HA 1 34 GLN QG 3.170 . 3.170 2.783 2.529 3.147 . 0 0 "[ . 1 . 2]" 1
1110 1 34 GLN H 1 34 GLN QG 3.020 . 3.020 1.853 1.749 1.964 . 0 0 "[ . 1 . 2]" 1
1111 1 34 GLN HA 1 35 PRO HG2 4.680 . 4.680 4.343 4.292 4.419 . 0 0 "[ . 1 . 2]" 1
1112 1 34 GLN HA 1 35 PRO HG3 4.680 . 4.680 4.465 4.426 4.495 . 0 0 "[ . 1 . 2]" 1
1113 1 34 GLN QG 1 35 PRO QD 3.850 . 3.850 3.688 3.395 3.935 0.085 18 0 "[ . 1 . 2]" 1
1114 1 34 GLN H 1 35 PRO QD 4.800 . 4.800 4.324 4.288 4.357 . 0 0 "[ . 1 . 2]" 1
1115 1 34 GLN HA 1 35 PRO QD 2.810 . 2.810 2.022 1.986 2.067 . 0 0 "[ . 1 . 2]" 1
1116 1 34 GLN HB3 1 35 PRO QD 3.630 . 3.630 2.198 2.128 2.282 . 0 0 "[ . 1 . 2]" 1
1117 1 34 GLN HB2 1 35 PRO QD 3.460 . 3.460 3.515 3.477 3.612 0.152 16 0 "[ . 1 . 2]" 1
1118 1 34 GLN QG 1 36 ASP H 4.850 . 4.850 4.613 4.320 4.754 . 0 0 "[ . 1 . 2]" 1
1119 1 34 GLN HB3 1 36 ASP H 4.470 . 4.470 2.764 2.333 2.910 . 0 0 "[ . 1 . 2]" 1
1120 1 34 GLN HA 1 36 ASP H 4.800 . 4.800 3.922 3.651 4.078 . 0 0 "[ . 1 . 2]" 1
1121 1 34 GLN HB2 1 36 ASP H 3.590 . 3.590 3.065 2.930 3.318 . 0 0 "[ . 1 . 2]" 1
1122 1 34 GLN HB2 1 36 ASP HB2 4.450 . 4.450 3.215 2.885 3.705 . 0 0 "[ . 1 . 2]" 1
1123 1 34 GLN HB2 1 36 ASP HB3 5.500 . 5.500 4.900 4.619 5.329 . 0 0 "[ . 1 . 2]" 1
1124 1 34 GLN QG 1 37 VAL H 4.760 . 4.760 4.455 4.267 4.580 . 0 0 "[ . 1 . 2]" 1
1125 1 34 GLN HB3 1 37 VAL H 4.860 . 4.860 3.733 3.367 3.923 . 0 0 "[ . 1 . 2]" 1
1126 1 34 GLN HB2 1 37 VAL H 4.540 . 4.540 2.612 2.443 2.732 . 0 0 "[ . 1 . 2]" 1
1127 1 34 GLN HA 1 37 VAL H 5.200 . 5.200 4.574 4.426 4.685 . 0 0 "[ . 1 . 2]" 1
1128 1 34 GLN H 1 37 VAL H 5.100 . 5.100 4.411 4.311 4.552 . 0 0 "[ . 1 . 2]" 1
1129 1 34 GLN HB2 1 37 VAL HA 5.090 . 5.090 4.782 4.604 4.950 . 0 0 "[ . 1 . 2]" 1
1130 1 34 GLN H 1 37 VAL HB 5.500 . 5.500 5.228 5.091 5.438 . 0 0 "[ . 1 . 2]" 1
1131 1 34 GLN QG 1 37 VAL HB 5.500 . 5.500 5.563 5.483 5.628 0.128 15 0 "[ . 1 . 2]" 1
1132 1 34 GLN H 1 37 VAL MG1 3.490 . 3.490 2.659 2.530 2.916 . 0 0 "[ . 1 . 2]" 1
1133 1 34 GLN HA 1 37 VAL MG1 4.660 . 4.660 3.979 3.858 4.139 . 0 0 "[ . 1 . 2]" 1
1134 1 34 GLN QG 1 37 VAL MG1 3.470 . 3.470 2.872 2.800 2.942 . 0 0 "[ . 1 . 2]" 1
1135 1 34 GLN HB3 1 37 VAL MG1 4.150 . 4.150 3.427 3.281 3.566 . 0 0 "[ . 1 . 2]" 1
1136 1 34 GLN HB2 1 37 VAL MG1 3.880 . 3.880 1.857 1.723 2.011 . 0 0 "[ . 1 . 2]" 1
1137 1 34 GLN QG 1 37 VAL MG2 4.760 . 4.760 4.359 4.155 4.567 . 0 0 "[ . 1 . 2]" 1
1138 1 34 GLN H 1 37 VAL MG2 3.750 . 3.750 3.428 3.247 3.585 . 0 0 "[ . 1 . 2]" 1
1139 1 35 PRO HG2 1 36 ASP H 4.380 . 4.380 2.638 2.496 2.786 . 0 0 "[ . 1 . 2]" 1
1140 1 35 PRO HG3 1 36 ASP H 4.690 . 4.690 4.099 4.006 4.209 . 0 0 "[ . 1 . 2]" 1
1141 1 35 PRO QD 1 36 ASP H 3.860 . 3.860 2.814 2.616 2.908 . 0 0 "[ . 1 . 2]" 1
1142 1 35 PRO HB3 1 36 ASP H 4.440 . 4.440 4.211 4.165 4.262 . 0 0 "[ . 1 . 2]" 1
1143 1 35 PRO HB2 1 36 ASP H 3.860 . 3.860 3.364 3.232 3.490 . 0 0 "[ . 1 . 2]" 1
1144 1 35 PRO HB3 1 36 ASP HA 5.500 . 5.500 5.534 5.505 5.603 0.103 16 0 "[ . 1 . 2]" 1
1145 1 35 PRO HB2 1 36 ASP HA 4.570 . 4.570 4.060 4.025 4.169 . 0 0 "[ . 1 . 2]" 1
1146 1 35 PRO QD 1 36 ASP HB2 5.410 . 5.410 4.606 4.507 4.727 . 0 0 "[ . 1 . 2]" 1
1147 1 35 PRO HA 1 37 VAL H 4.680 . 4.680 4.138 4.031 4.292 . 0 0 "[ . 1 . 2]" 1
1148 1 35 PRO HB2 1 37 VAL H 5.450 . 5.450 5.300 5.208 5.422 . 0 0 "[ . 1 . 2]" 1
1149 1 35 PRO HG2 1 37 VAL H 5.500 . 5.500 5.138 5.016 5.260 . 0 0 "[ . 1 . 2]" 1
1150 1 35 PRO QD 1 37 VAL H 5.500 . 5.500 4.463 4.381 4.542 . 0 0 "[ . 1 . 2]" 1
1151 1 35 PRO HA 1 37 VAL MG2 4.770 . 4.770 4.069 3.975 4.197 . 0 0 "[ . 1 . 2]" 1
1152 1 35 PRO HA 1 38 LYS H 4.110 . 4.110 3.411 3.266 3.605 . 0 0 "[ . 1 . 2]" 1
1153 1 35 PRO HB2 1 38 LYS H 5.420 . 5.420 5.109 4.981 5.279 . 0 0 "[ . 1 . 2]" 1
1154 1 35 PRO HA 1 38 LYS HG2 4.870 . 4.870 4.149 3.807 4.463 . 0 0 "[ . 1 . 2]" 1
1155 1 35 PRO HA 1 38 LYS HG3 4.310 . 4.310 2.478 2.142 2.741 . 0 0 "[ . 1 . 2]" 1
1156 1 35 PRO HB3 1 38 LYS HG3 5.080 . 5.080 4.686 4.289 4.993 . 0 0 "[ . 1 . 2]" 1
1157 1 35 PRO HA 1 38 LYS QB 3.830 . 3.830 3.111 2.901 3.503 . 0 0 "[ . 1 . 2]" 1
1158 1 35 PRO HA 1 39 LYS H 5.460 . 5.460 4.764 4.607 5.070 . 0 0 "[ . 1 . 2]" 1
1159 1 35 PRO HB3 1 39 LYS QE 4.980 . 4.980 4.409 4.034 4.677 . 0 0 "[ . 1 . 2]" 1
1160 1 35 PRO HB2 1 39 LYS QE 4.630 . 4.630 2.819 2.464 3.089 . 0 0 "[ . 1 . 2]" 1
1161 1 35 PRO HG2 1 39 LYS QE 5.040 . 5.040 3.946 3.648 4.353 . 0 0 "[ . 1 . 2]" 1
1162 1 35 PRO HA 1 39 LYS QE 4.660 . 4.660 4.547 4.189 4.748 0.088 11 0 "[ . 1 . 2]" 1
1163 1 36 ASP H 1 36 ASP HB2 3.450 . 3.450 2.514 2.409 2.631 . 0 0 "[ . 1 . 2]" 1
1164 1 36 ASP H 1 36 ASP HB3 3.680 . 3.680 3.606 3.574 3.625 . 0 0 "[ . 1 . 2]" 1
1165 1 36 ASP H 1 37 VAL H 3.480 . 3.480 2.579 2.518 2.669 . 0 0 "[ . 1 . 2]" 1
1166 1 36 ASP HB2 1 37 VAL H 4.110 . 4.110 2.910 2.735 3.074 . 0 0 "[ . 1 . 2]" 1
1167 1 36 ASP HB3 1 37 VAL H 4.320 . 4.320 3.906 3.802 3.982 . 0 0 "[ . 1 . 2]" 1
1168 1 36 ASP HB2 1 37 VAL HA 5.500 . 5.500 4.344 4.128 4.483 . 0 0 "[ . 1 . 2]" 1
1169 1 36 ASP HB3 1 37 VAL HA 4.970 . 4.970 4.515 4.395 4.653 . 0 0 "[ . 1 . 2]" 1
1170 1 36 ASP H 1 37 VAL HA 5.500 . 5.500 5.176 5.114 5.263 . 0 0 "[ . 1 . 2]" 1
1171 1 36 ASP HB3 1 37 VAL MG1 4.830 . 4.830 4.540 4.383 4.620 . 0 0 "[ . 1 . 2]" 1
1172 1 36 ASP HB2 1 37 VAL MG1 4.000 . 4.000 3.511 3.293 3.707 . 0 0 "[ . 1 . 2]" 1
1173 1 36 ASP H 1 37 VAL MG1 4.170 . 4.170 3.758 3.686 3.850 . 0 0 "[ . 1 . 2]" 1
1174 1 36 ASP H 1 37 VAL MG2 5.390 . 5.390 4.471 4.361 4.615 . 0 0 "[ . 1 . 2]" 1
1175 1 36 ASP HA 1 38 LYS H 4.730 . 4.730 3.881 3.759 4.053 . 0 0 "[ . 1 . 2]" 1
1176 1 36 ASP HB2 1 38 LYS H 5.420 . 5.420 4.933 4.803 5.100 . 0 0 "[ . 1 . 2]" 1
1177 1 36 ASP HB3 1 38 LYS H 5.500 . 5.500 5.338 5.250 5.429 . 0 0 "[ . 1 . 2]" 1
1178 1 36 ASP H 1 38 LYS H 5.170 . 5.170 3.931 3.783 4.089 . 0 0 "[ . 1 . 2]" 1
1179 1 36 ASP HB2 1 39 LYS H 5.500 . 5.500 5.349 5.264 5.436 . 0 0 "[ . 1 . 2]" 1
1180 1 36 ASP HB3 1 39 LYS H 5.090 . 5.090 4.926 4.791 5.092 0.002 18 0 "[ . 1 . 2]" 1
1181 1 36 ASP HA 1 39 LYS H 3.770 . 3.770 3.111 2.958 3.330 . 0 0 "[ . 1 . 2]" 1
1182 1 36 ASP HA 1 39 LYS HG2 4.690 . 4.690 3.921 3.759 4.280 . 0 0 "[ . 1 . 2]" 1
1183 1 36 ASP HB3 1 39 LYS HG3 5.470 . 5.470 4.754 4.520 5.140 . 0 0 "[ . 1 . 2]" 1
1184 1 36 ASP HA 1 39 LYS HG3 4.770 . 4.770 2.475 2.224 2.873 . 0 0 "[ . 1 . 2]" 1
1185 1 36 ASP HB3 1 39 LYS QB 4.280 . 4.280 4.032 3.889 4.336 0.056 16 0 "[ . 1 . 2]" 1
1186 1 36 ASP HA 1 39 LYS QB 3.680 . 3.680 3.004 2.836 3.255 . 0 0 "[ . 1 . 2]" 1
1187 1 36 ASP HB2 1 39 LYS QD 4.690 . 4.690 4.410 4.283 4.733 0.043 16 0 "[ . 1 . 2]" 1
1188 1 36 ASP HB3 1 39 LYS QD 4.810 . 4.810 3.217 3.017 3.627 . 0 0 "[ . 1 . 2]" 1
1189 1 36 ASP HA 1 39 LYS QD 3.750 . 3.750 1.974 1.857 2.168 . 0 0 "[ . 1 . 2]" 1
1190 1 36 ASP HA 1 39 LYS QE 4.330 . 4.330 2.422 2.265 2.732 . 0 0 "[ . 1 . 2]" 1
1191 1 36 ASP HA 1 40 ALA H 4.780 . 4.780 4.144 4.018 4.399 . 0 0 "[ . 1 . 2]" 1
1192 1 36 ASP HB2 1 40 ALA H 5.500 . 5.500 5.546 5.504 5.595 0.095 18 0 "[ . 1 . 2]" 1
1193 1 36 ASP HB3 1 40 ALA H 5.290 . 5.290 4.739 4.517 5.088 . 0 0 "[ . 1 . 2]" 1
1194 1 36 ASP HB2 1 40 ALA MB 5.130 . 5.130 5.175 5.068 5.233 0.103 9 0 "[ . 1 . 2]" 1
1195 1 36 ASP HB3 1 40 ALA MB 5.250 . 5.250 4.499 4.266 4.836 . 0 0 "[ . 1 . 2]" 1
1196 1 37 VAL H 1 37 VAL HB 3.620 . 3.620 3.637 3.618 3.657 0.037 6 0 "[ . 1 . 2]" 1
1197 1 37 VAL HA 1 37 VAL MG1 2.750 . 2.750 2.590 2.553 2.630 . 0 0 "[ . 1 . 2]" 1
1198 1 37 VAL H 1 37 VAL MG1 2.860 . 2.860 1.977 1.901 2.041 . 0 0 "[ . 1 . 2]" 1
1199 1 37 VAL HA 1 37 VAL MG2 3.280 . 3.280 3.167 3.145 3.181 . 0 0 "[ . 1 . 2]" 1
1200 1 37 VAL H 1 37 VAL MG2 3.490 . 3.490 2.624 2.559 2.720 . 0 0 "[ . 1 . 2]" 1
1201 1 37 VAL MG2 1 38 LYS H 3.510 . 3.510 2.333 2.181 2.443 . 0 0 "[ . 1 . 2]" 1
1202 1 37 VAL HB 1 38 LYS H 4.160 . 4.160 4.163 4.123 4.202 0.042 13 0 "[ . 1 . 2]" 1
1203 1 37 VAL MG1 1 38 LYS H 3.880 . 3.880 3.665 3.571 3.764 . 0 0 "[ . 1 . 2]" 1
1204 1 37 VAL H 1 38 LYS HA 5.450 . 5.450 5.077 5.028 5.120 . 0 0 "[ . 1 . 2]" 1
1205 1 37 VAL MG2 1 38 LYS HA 3.780 . 3.780 3.030 2.958 3.105 . 0 0 "[ . 1 . 2]" 1
1206 1 37 VAL H 1 38 LYS HG2 5.500 . 5.500 5.229 5.145 5.363 . 0 0 "[ . 1 . 2]" 1
1207 1 37 VAL MG2 1 38 LYS HG2 3.620 . 3.620 2.942 2.859 3.037 . 0 0 "[ . 1 . 2]" 1
1208 1 37 VAL H 1 38 LYS HG3 4.860 . 4.860 3.997 3.755 4.352 . 0 0 "[ . 1 . 2]" 1
1209 1 37 VAL MG2 1 38 LYS QB 3.930 . 3.930 3.796 3.716 3.875 . 0 0 "[ . 1 . 2]" 1
1210 1 37 VAL H 1 38 LYS QB 4.970 . 4.970 4.587 4.482 4.650 . 0 0 "[ . 1 . 2]" 1
1211 1 37 VAL MG2 1 38 LYS QD 4.260 . 4.260 4.023 3.799 4.293 0.033 16 0 "[ . 1 . 2]" 1
1212 1 37 VAL MG2 1 38 LYS QE 4.440 . 4.440 4.574 4.499 4.652 0.212 16 0 "[ . 1 . 2]" 1
1213 1 37 VAL HA 1 39 LYS H 4.990 . 4.990 4.115 3.923 4.314 . 0 0 "[ . 1 . 2]" 1
1214 1 37 VAL MG1 1 39 LYS H 5.340 . 5.340 5.215 5.104 5.321 . 0 0 "[ . 1 . 2]" 1
1215 1 37 VAL MG2 1 39 LYS H 4.350 . 4.350 4.351 4.233 4.399 0.049 1 0 "[ . 1 . 2]" 1
1216 1 37 VAL H 1 39 LYS H 4.580 . 4.580 4.014 3.932 4.121 . 0 0 "[ . 1 . 2]" 1
1217 1 37 VAL HA 1 39 LYS QB 5.230 . 5.230 4.762 4.667 4.883 . 0 0 "[ . 1 . 2]" 1
1218 1 37 VAL MG1 1 40 ALA H 5.500 . 5.500 5.172 5.021 5.271 . 0 0 "[ . 1 . 2]" 1
1219 1 37 VAL MG2 1 40 ALA H 5.500 . 5.500 4.894 4.799 4.972 . 0 0 "[ . 1 . 2]" 1
1220 1 37 VAL HA 1 40 ALA H 3.990 . 3.990 3.193 3.017 3.342 . 0 0 "[ . 1 . 2]" 1
1221 1 37 VAL HA 1 40 ALA MB 3.120 . 3.120 2.399 2.179 2.514 . 0 0 "[ . 1 . 2]" 1
1222 1 37 VAL HA 1 41 CYS H 5.190 . 5.190 3.634 3.481 3.799 . 0 0 "[ . 1 . 2]" 1
1223 1 37 VAL MG2 1 41 CYS HB2 4.970 . 4.970 3.491 3.336 3.625 . 0 0 "[ . 1 . 2]" 1
1224 1 37 VAL MG2 1 41 CYS HB3 4.970 . 4.970 3.975 3.817 4.200 . 0 0 "[ . 1 . 2]" 1
1225 1 37 VAL MG2 1 41 CYS QB 4.320 . 4.320 3.277 3.138 3.385 . 0 0 "[ . 1 . 2]" 1
1226 1 38 LYS HA 1 38 LYS HG2 3.470 . 3.470 2.501 2.403 2.606 . 0 0 "[ . 1 . 2]" 1
1227 1 38 LYS H 1 38 LYS HG2 4.060 . 4.060 3.226 3.165 3.298 . 0 0 "[ . 1 . 2]" 1
1228 1 38 LYS H 1 38 LYS HG3 3.690 . 3.690 2.281 2.076 2.513 . 0 0 "[ . 1 . 2]" 1
1229 1 38 LYS HA 1 38 LYS HG3 3.930 . 3.930 3.275 3.155 3.350 . 0 0 "[ . 1 . 2]" 1
1230 1 38 LYS H 1 38 LYS QB 3.360 . 3.360 2.490 2.431 2.517 . 0 0 "[ . 1 . 2]" 1
1231 1 38 LYS QB 1 38 LYS QE 3.690 . 3.690 2.372 1.657 2.998 . 0 0 "[ . 1 . 2]" 1
1232 1 38 LYS H 1 38 LYS QE 5.160 . 5.160 4.888 4.650 5.075 . 0 0 "[ . 1 . 2]" 1
1233 1 38 LYS HG3 1 39 LYS H 4.880 . 4.880 4.216 4.076 4.475 . 0 0 "[ . 1 . 2]" 1
1234 1 38 LYS HG2 1 39 LYS H 4.920 . 4.920 4.875 4.818 4.921 0.001 14 0 "[ . 1 . 2]" 1
1235 1 38 LYS H 1 39 LYS H 3.520 . 3.520 2.476 2.407 2.544 . 0 0 "[ . 1 . 2]" 1
1236 1 38 LYS QB 1 39 LYS H 2.920 . 2.920 2.682 2.542 2.838 . 0 0 "[ . 1 . 2]" 1
1237 1 38 LYS H 1 39 LYS QE 5.500 . 5.500 5.006 4.866 5.180 . 0 0 "[ . 1 . 2]" 1
1238 1 38 LYS HA 1 40 ALA H 5.150 . 5.150 4.528 4.431 4.628 . 0 0 "[ . 1 . 2]" 1
1239 1 38 LYS H 1 40 ALA H 4.790 . 4.790 4.030 3.902 4.164 . 0 0 "[ . 1 . 2]" 1
1240 1 38 LYS HA 1 41 CYS H 4.470 . 4.470 3.276 3.133 3.411 . 0 0 "[ . 1 . 2]" 1
1241 1 38 LYS HA 1 41 CYS HA 5.500 . 5.500 5.026 4.883 5.179 . 0 0 "[ . 1 . 2]" 1
1242 1 38 LYS H 1 41 CYS HB2 5.500 . 5.500 5.191 5.088 5.365 . 0 0 "[ . 1 . 2]" 1
1243 1 38 LYS H 1 41 CYS HB3 5.500 . 5.500 4.718 4.640 4.863 . 0 0 "[ . 1 . 2]" 1
1244 1 38 LYS HA 1 41 CYS QB 3.720 . 3.720 2.182 2.088 2.302 . 0 0 "[ . 1 . 2]" 1
1245 1 39 LYS H 1 39 LYS HG2 3.550 . 3.550 3.325 3.202 3.462 . 0 0 "[ . 1 . 2]" 1
1246 1 39 LYS HA 1 39 LYS HG2 3.540 . 3.540 2.781 2.725 2.814 . 0 0 "[ . 1 . 2]" 1
1247 1 39 LYS HA 1 39 LYS HG3 3.710 . 3.710 3.123 3.065 3.212 . 0 0 "[ . 1 . 2]" 1
1248 1 39 LYS H 1 39 LYS HG3 4.110 . 4.110 1.977 1.896 2.103 . 0 0 "[ . 1 . 2]" 1
1249 1 39 LYS H 1 39 LYS QB 3.150 . 3.150 2.561 2.506 2.630 . 0 0 "[ . 1 . 2]" 1
1250 1 39 LYS H 1 39 LYS QD 3.960 . 3.960 3.603 3.503 3.690 . 0 0 "[ . 1 . 2]" 1
1251 1 39 LYS HA 1 39 LYS QD 4.170 . 4.170 4.109 4.087 4.126 . 0 0 "[ . 1 . 2]" 1
1252 1 39 LYS QD 1 39 LYS HG2 2.400 . 2.400 2.318 2.298 2.336 . 0 0 "[ . 1 . 2]" 1
1253 1 39 LYS QD 1 39 LYS HG3 2.600 . 2.600 2.375 2.357 2.393 . 0 0 "[ . 1 . 2]" 1
1254 1 39 LYS H 1 39 LYS QE 4.850 . 4.850 3.983 3.864 4.167 . 0 0 "[ . 1 . 2]" 1
1255 1 39 LYS QD 1 39 LYS QE 2.490 . 2.490 2.069 2.000 2.092 . 0 0 "[ . 1 . 2]" 1
1256 1 39 LYS QE 1 39 LYS HG2 2.960 . 2.960 2.597 2.454 2.982 0.022 13 0 "[ . 1 . 2]" 1
1257 1 39 LYS H 1 40 ALA H 3.360 . 3.360 2.556 2.379 2.681 . 0 0 "[ . 1 . 2]" 1
1258 1 39 LYS QB 1 40 ALA H 3.190 . 3.190 2.301 2.216 2.418 . 0 0 "[ . 1 . 2]" 1
1259 1 39 LYS HG2 1 40 ALA H 5.020 . 5.020 4.807 4.742 4.870 . 0 0 "[ . 1 . 2]" 1
1260 1 39 LYS HG3 1 40 ALA H 4.540 . 4.540 3.893 3.810 3.961 . 0 0 "[ . 1 . 2]" 1
1261 1 39 LYS QE 1 40 ALA H 5.500 . 5.500 5.516 5.446 5.614 0.114 20 0 "[ . 1 . 2]" 1
1262 1 39 LYS H 1 40 ALA MB 4.840 . 4.840 4.214 4.068 4.329 . 0 0 "[ . 1 . 2]" 1
1263 1 39 LYS HA 1 42 CYS H 3.890 . 3.890 3.510 3.326 3.655 . 0 0 "[ . 1 . 2]" 1
1264 1 39 LYS QB 1 42 CYS QB 4.640 . 4.640 3.981 3.687 4.199 . 0 0 "[ . 1 . 2]" 1
1265 1 39 LYS HA 1 42 CYS QB 3.370 . 3.370 2.580 2.228 2.998 . 0 0 "[ . 1 . 2]" 1
1266 1 40 ALA H 1 40 ALA MB 2.750 . 2.750 2.222 2.210 2.241 . 0 0 "[ . 1 . 2]" 1
1267 1 40 ALA H 1 41 CYS H 3.430 . 3.430 2.646 2.596 2.709 . 0 0 "[ . 1 . 2]" 1
1268 1 40 ALA MB 1 41 CYS H 3.090 . 3.090 2.602 2.482 2.705 . 0 0 "[ . 1 . 2]" 1
1269 1 40 ALA HA 1 41 CYS HA 4.870 . 4.870 4.810 4.784 4.835 . 0 0 "[ . 1 . 2]" 1
1270 1 40 ALA MB 1 41 CYS HA 4.210 . 4.210 3.941 3.912 3.970 . 0 0 "[ . 1 . 2]" 1
1271 1 40 ALA H 1 41 CYS HA 5.500 . 5.500 5.267 5.229 5.323 . 0 0 "[ . 1 . 2]" 1
1272 1 40 ALA H 1 41 CYS QB 5.260 . 5.260 4.388 4.351 4.446 . 0 0 "[ . 1 . 2]" 1
1273 1 40 ALA MB 1 41 CYS QB 4.940 . 4.940 3.953 3.888 4.039 . 0 0 "[ . 1 . 2]" 1
1274 1 40 ALA MB 1 42 CYS H 4.860 . 4.860 4.575 4.442 4.643 . 0 0 "[ . 1 . 2]" 1
1275 1 40 ALA H 1 42 CYS QB 5.330 . 5.330 4.625 4.384 4.889 . 0 0 "[ . 1 . 2]" 1
1276 1 40 ALA MB 1 43 GLN H 5.220 . 5.220 4.489 4.379 4.560 . 0 0 "[ . 1 . 2]" 1
1277 1 40 ALA HA 1 43 GLN H 3.730 . 3.730 3.357 3.252 3.466 . 0 0 "[ . 1 . 2]" 1
1278 1 40 ALA HA 1 43 GLN HG2 4.550 . 4.550 2.181 1.938 2.478 . 0 0 "[ . 1 . 2]" 1
1279 1 40 ALA HA 1 43 GLN HG3 4.330 . 4.330 3.042 2.769 3.252 . 0 0 "[ . 1 . 2]" 1
1280 1 40 ALA MB 1 44 ARG H 4.960 . 4.960 5.025 4.980 5.079 0.119 9 0 "[ . 1 . 2]" 1
1281 1 41 CYS H 1 41 CYS HB2 3.300 . 3.300 2.644 2.590 2.680 . 0 0 "[ . 1 . 2]" 1
1282 1 41 CYS H 1 41 CYS HB3 3.300 . 3.300 2.442 2.383 2.490 . 0 0 "[ . 1 . 2]" 1
1283 1 41 CYS H 1 41 CYS QB 2.890 . 2.890 2.252 2.227 2.274 . 0 0 "[ . 1 . 2]" 1
1284 1 41 CYS QB 1 42 CYS H 3.920 . 3.920 2.429 2.381 2.467 . 0 0 "[ . 1 . 2]" 1
1285 1 41 CYS HA 1 42 CYS HA 5.330 . 5.330 4.871 4.820 4.913 . 0 0 "[ . 1 . 2]" 1
1286 1 41 CYS QB 1 42 CYS HA 4.780 . 4.780 4.140 4.097 4.219 . 0 0 "[ . 1 . 2]" 1
1287 1 41 CYS HB2 1 42 CYS HA 5.500 . 5.500 5.594 5.551 5.638 0.138 5 0 "[ . 1 . 2]" 1
1288 1 41 CYS HB3 1 42 CYS HA 5.500 . 5.500 4.266 4.219 4.357 . 0 0 "[ . 1 . 2]" 1
1289 1 41 CYS QB 1 44 ARG H 5.340 . 5.340 4.591 4.537 4.629 . 0 0 "[ . 1 . 2]" 1
1290 1 41 CYS HA 1 44 ARG H 4.020 . 4.020 3.031 2.920 3.115 . 0 0 "[ . 1 . 2]" 1
1291 1 41 CYS HA 1 44 ARG HA 5.090 . 5.090 4.610 4.450 4.714 . 0 0 "[ . 1 . 2]" 1
1292 1 41 CYS HA 1 44 ARG QB 3.480 . 3.480 2.019 1.946 2.094 . 0 0 "[ . 1 . 2]" 1
1293 1 41 CYS HA 1 45 ASN H 4.720 . 4.720 3.499 3.237 3.955 . 0 0 "[ . 1 . 2]" 1
1294 1 41 CYS QB 1 45 ASN H 5.340 . 5.340 4.836 4.619 5.270 . 0 0 "[ . 1 . 2]" 1
1295 1 41 CYS HA 1 45 ASN QD 4.850 . 4.850 3.880 3.202 4.898 0.048 13 0 "[ . 1 . 2]" 1
1296 1 42 CYS H 1 42 CYS QB 3.010 . 3.010 2.303 2.216 2.536 . 0 0 "[ . 1 . 2]" 1
1297 1 42 CYS QB 1 43 GLN H 3.320 . 3.320 2.625 2.483 2.732 . 0 0 "[ . 1 . 2]" 1
1298 1 42 CYS QB 1 43 GLN HB3 4.650 . 4.650 3.894 3.793 4.037 . 0 0 "[ . 1 . 2]" 1
1299 1 42 CYS QB 1 43 GLN HG2 4.150 . 4.150 3.752 3.427 3.979 . 0 0 "[ . 1 . 2]" 1
1300 1 42 CYS HA 1 44 ARG H 4.920 . 4.920 3.986 3.874 4.131 . 0 0 "[ . 1 . 2]" 1
1301 1 42 CYS QB 1 46 GLN H 5.480 . 5.480 5.213 4.744 5.511 0.031 14 0 "[ . 1 . 2]" 1
1302 1 42 CYS HA 1 46 GLN H 4.000 . 4.000 3.566 3.250 3.886 . 0 0 "[ . 1 . 2]" 1
1303 1 42 CYS QB 1 46 GLN QB 4.900 . 4.900 3.497 3.290 3.693 . 0 0 "[ . 1 . 2]" 1
1304 1 42 CYS HA 1 46 GLN QB 4.730 . 4.730 1.636 1.609 1.683 . 0 0 "[ . 1 . 2]" 1
1305 1 42 CYS QB 1 46 GLN QG 4.990 . 4.990 4.602 4.174 4.863 . 0 0 "[ . 1 . 2]" 1
1306 1 42 CYS HA 1 47 ILE H 5.500 . 5.500 4.811 4.544 5.197 . 0 0 "[ . 1 . 2]" 1
1307 1 43 GLN H 1 43 GLN HB2 3.800 . 3.800 3.687 3.652 3.720 . 0 0 "[ . 1 . 2]" 1
1308 1 43 GLN H 1 43 GLN HB3 3.100 . 3.100 2.899 2.759 3.049 . 0 0 "[ . 1 . 2]" 1
1309 1 43 GLN H 1 43 GLN HG2 3.450 . 3.450 2.031 1.880 2.286 . 0 0 "[ . 1 . 2]" 1
1310 1 43 GLN HA 1 43 GLN HG2 3.790 . 3.790 3.739 3.657 3.840 0.050 8 0 "[ . 1 . 2]" 1
1311 1 43 GLN HB3 1 43 GLN HG2 2.740 . 2.740 2.450 2.341 2.556 . 0 0 "[ . 1 . 2]" 1
1312 1 43 GLN H 1 43 GLN HG3 3.280 . 3.280 3.066 2.889 3.294 0.014 15 0 "[ . 1 . 2]" 1
1313 1 43 GLN HA 1 43 GLN HG3 3.800 . 3.800 3.768 3.656 3.839 0.039 9 0 "[ . 1 . 2]" 1
1314 1 43 GLN HB2 1 44 ARG H 4.400 . 4.400 4.388 4.328 4.427 0.027 14 0 "[ . 1 . 2]" 1
1315 1 43 GLN H 1 44 ARG H 3.370 . 3.370 2.477 2.391 2.540 . 0 0 "[ . 1 . 2]" 1
1316 1 43 GLN H 1 44 ARG HA 4.880 . 4.880 4.854 4.764 4.922 0.042 12 0 "[ . 1 . 2]" 1
1317 1 43 GLN HG3 1 44 ARG HA 4.960 . 4.960 3.948 3.657 4.264 . 0 0 "[ . 1 . 2]" 1
1318 1 43 GLN HG2 1 44 ARG HA 5.220 . 5.220 5.142 4.754 5.256 0.036 1 0 "[ . 1 . 2]" 1
1319 1 43 GLN H 1 44 ARG QB 4.910 . 4.910 3.986 3.817 4.128 . 0 0 "[ . 1 . 2]" 1
1320 1 43 GLN H 1 45 ASN H 4.780 . 4.780 4.626 4.444 4.759 . 0 0 "[ . 1 . 2]" 1
1321 1 43 GLN HA 1 46 GLN H 4.010 . 4.010 4.103 4.037 4.166 0.156 3 0 "[ . 1 . 2]" 1
1322 1 43 GLN H 1 46 GLN H 5.160 . 5.160 4.661 4.540 4.901 . 0 0 "[ . 1 . 2]" 1
1323 1 44 ARG HA 1 44 ARG HD3 3.930 . 3.930 4.013 3.951 4.165 0.235 4 0 "[ . 1 . 2]" 1
1324 1 44 ARG HD3 1 44 ARG QG 2.620 . 2.620 2.486 2.450 2.512 . 0 0 "[ . 1 . 2]" 1
1325 1 44 ARG HA 1 44 ARG HG2 3.640 . 3.640 2.334 2.258 2.416 . 0 0 "[ . 1 . 2]" 1
1326 1 44 ARG HA 1 44 ARG HG3 3.640 . 3.640 3.460 3.239 3.517 . 0 0 "[ . 1 . 2]" 1
1327 1 44 ARG H 1 44 ARG QB 2.880 . 2.880 2.374 2.319 2.420 . 0 0 "[ . 1 . 2]" 1
1328 1 44 ARG H 1 44 ARG QD 5.140 . 5.140 4.290 4.075 4.484 . 0 0 "[ . 1 . 2]" 1
1329 1 44 ARG HA 1 44 ARG QD 3.730 . 3.730 3.793 3.736 3.924 0.194 4 0 "[ . 1 . 2]" 1
1330 1 44 ARG HA 1 44 ARG QG 3.140 . 3.140 2.299 2.231 2.374 . 0 0 "[ . 1 . 2]" 1
1331 1 44 ARG QG 1 45 ASN H 4.130 . 4.130 4.019 3.799 4.083 . 0 0 "[ . 1 . 2]" 1
1332 1 44 ARG HG2 1 45 ASN H 4.890 . 4.890 4.339 4.004 4.414 . 0 0 "[ . 1 . 2]" 1
1333 1 44 ARG HG3 1 45 ASN H 4.890 . 4.890 4.757 4.610 4.923 0.033 2 0 "[ . 1 . 2]" 1
1334 1 44 ARG H 1 45 ASN H 3.370 . 3.370 2.344 2.252 2.438 . 0 0 "[ . 1 . 2]" 1
1335 1 44 ARG QB 1 45 ASN H 3.700 . 3.700 2.264 2.073 2.521 . 0 0 "[ . 1 . 2]" 1
1336 1 44 ARG QD 1 45 ASN H 5.500 . 5.500 3.100 3.011 3.185 . 0 0 "[ . 1 . 2]" 1
1337 1 44 ARG HD3 1 45 ASN H 4.230 . 4.230 3.138 3.045 3.228 . 0 0 "[ . 1 . 2]" 1
1338 1 44 ARG HD2 1 45 ASN H 4.710 . 4.710 4.810 4.738 4.883 0.173 16 0 "[ . 1 . 2]" 1
1339 1 44 ARG H 1 45 ASN HA 5.090 . 5.090 4.726 4.642 4.810 . 0 0 "[ . 1 . 2]" 1
1340 1 44 ARG H 1 45 ASN QB 4.890 . 4.890 5.029 4.965 5.099 0.209 3 0 "[ . 1 . 2]" 1
1341 1 44 ARG H 1 46 GLN H 3.850 . 3.850 3.075 2.934 3.370 . 0 0 "[ . 1 . 2]" 1
1342 1 45 ASN H 1 45 ASN HB2 4.070 . 4.070 3.923 3.790 4.011 . 0 0 "[ . 1 . 2]" 1
1343 1 45 ASN H 1 45 ASN HB3 4.070 . 4.070 3.257 3.108 3.317 . 0 0 "[ . 1 . 2]" 1
1344 1 45 ASN H 1 45 ASN QB 3.270 . 3.270 3.105 3.006 3.161 . 0 0 "[ . 1 . 2]" 1
1345 1 45 ASN QB 1 46 GLN H 4.180 . 4.180 3.996 3.934 4.080 . 0 0 "[ . 1 . 2]" 1
1346 1 45 ASN HA 1 46 GLN HA 4.690 . 4.690 4.540 4.471 4.703 0.013 4 0 "[ . 1 . 2]" 1
1347 1 45 ASN HA 1 46 GLN QB 4.950 . 4.950 4.908 4.733 4.985 0.035 4 0 "[ . 1 . 2]" 1
1348 1 46 GLN H 1 46 GLN QB 2.860 . 2.860 2.407 2.293 2.488 . 0 0 "[ . 1 . 2]" 1
1349 1 46 GLN HA 1 46 GLN QB 2.800 . 2.800 2.429 2.336 2.496 . 0 0 "[ . 1 . 2]" 1
1350 1 46 GLN H 1 46 GLN QG 4.090 . 4.090 4.053 3.990 4.085 . 0 0 "[ . 1 . 2]" 1
1351 1 46 GLN HA 1 46 GLN QG 3.350 . 3.350 2.353 2.248 2.531 . 0 0 "[ . 1 . 2]" 1
1352 1 46 GLN QB 1 47 ILE H 3.360 . 3.360 3.113 2.788 3.334 . 0 0 "[ . 1 . 2]" 1
1353 1 46 GLN HA 1 47 ILE H 2.780 . 2.780 2.375 2.220 2.483 . 0 0 "[ . 1 . 2]" 1
1354 1 46 GLN QG 1 47 ILE H 3.690 . 3.690 1.851 1.735 2.104 . 0 0 "[ . 1 . 2]" 1
1355 1 46 GLN QG 1 47 ILE HA 4.770 . 4.770 3.829 3.374 4.306 . 0 0 "[ . 1 . 2]" 1
1356 1 46 GLN QB 1 47 ILE HA 4.160 . 4.160 4.116 3.904 4.312 0.152 5 0 "[ . 1 . 2]" 1
1357 1 46 GLN H 1 47 ILE HA 5.210 . 5.210 5.036 4.893 5.214 0.004 4 0 "[ . 1 . 2]" 1
1358 1 46 GLN HA 1 47 ILE HA 4.580 . 4.580 4.459 4.356 4.506 . 0 0 "[ . 1 . 2]" 1
1359 1 46 GLN HA 1 47 ILE HB 5.040 . 5.040 4.862 4.768 4.962 . 0 0 "[ . 1 . 2]" 1
1360 1 46 GLN QG 1 47 ILE HB 4.590 . 4.590 4.477 4.271 4.748 0.158 2 0 "[ . 1 . 2]" 1
1361 1 46 GLN QB 1 47 ILE HG12 5.180 . 5.180 5.189 5.072 5.264 0.084 16 0 "[ . 1 . 2]" 1
1362 1 46 GLN HA 1 47 ILE HG12 4.320 . 4.320 4.281 4.073 4.394 0.074 20 0 "[ . 1 . 2]" 1
1363 1 46 GLN H 1 47 ILE HG12 5.500 . 5.500 4.997 4.698 5.291 . 0 0 "[ . 1 . 2]" 1
1364 1 46 GLN QG 1 47 ILE HG12 5.500 . 5.500 5.067 4.812 5.256 . 0 0 "[ . 1 . 2]" 1
1365 1 46 GLN HA 1 47 ILE HG13 4.790 . 4.790 3.148 3.042 3.216 . 0 0 "[ . 1 . 2]" 1
1366 1 46 GLN H 1 47 ILE HG13 5.070 . 5.070 4.867 4.601 5.055 . 0 0 "[ . 1 . 2]" 1
1367 1 46 GLN QB 1 47 ILE HG13 4.600 . 4.600 4.703 4.656 4.752 0.152 14 0 "[ . 1 . 2]" 1
1368 1 46 GLN QG 1 47 ILE HG13 5.250 . 5.250 4.139 3.949 4.253 . 0 0 "[ . 1 . 2]" 1
1369 1 46 GLN HA 1 47 ILE MD 4.630 . 4.630 4.598 4.506 4.663 0.033 11 0 "[ . 1 . 2]" 1
1370 1 47 ILE H 1 47 ILE HB 3.240 . 3.240 3.041 2.887 3.210 . 0 0 "[ . 1 . 2]" 1
1371 1 47 ILE HA 1 47 ILE HG12 3.620 . 3.620 2.799 2.642 3.023 . 0 0 "[ . 1 . 2]" 1
1372 1 47 ILE HG12 1 47 ILE MG 3.480 . 3.480 2.342 2.286 2.412 . 0 0 "[ . 1 . 2]" 1
1373 1 47 ILE H 1 47 ILE HG12 3.980 . 3.980 3.748 3.542 3.850 . 0 0 "[ . 1 . 2]" 1
1374 1 47 ILE HA 1 47 ILE HG13 3.850 . 3.850 3.283 3.199 3.390 . 0 0 "[ . 1 . 2]" 1
1375 1 47 ILE H 1 47 ILE HG13 3.950 . 3.950 2.675 2.400 2.806 . 0 0 "[ . 1 . 2]" 1
1376 1 47 ILE H 1 47 ILE MD 4.270 . 4.270 4.099 3.909 4.194 . 0 0 "[ . 1 . 2]" 1
1377 1 47 ILE HA 1 47 ILE MD 4.000 . 4.000 3.933 3.865 4.007 0.007 2 0 "[ . 1 . 2]" 1
1378 1 47 ILE HB 1 47 ILE MD 3.140 . 3.140 2.384 2.276 2.436 . 0 0 "[ . 1 . 2]" 1
1379 1 47 ILE HA 1 47 ILE MG 3.110 . 3.110 2.217 2.160 2.263 . 0 0 "[ . 1 . 2]" 1
1380 1 47 ILE H 1 47 ILE MG 4.000 . 4.000 3.971 3.934 4.008 0.008 1 0 "[ . 1 . 2]" 1
1381 1 3 GLY H 2 13 GLY CA 7.500 . 7.500 4.405 4.234 4.635 . 0 0 "[ . 1 . 2]" 1
1382 1 4 ASP H 2 12 ARG CB 7.500 . 7.500 5.669 5.418 5.938 . 0 0 "[ . 1 . 2]" 1
1383 1 4 ASP H 2 13 GLY CA 7.500 . 7.500 3.846 3.620 3.983 . 0 0 "[ . 1 . 2]" 1
1384 1 5 VAL H 2 12 ARG CB 7.500 . 7.500 4.740 4.530 4.992 . 0 0 "[ . 1 . 2]" 1
1385 1 5 VAL H 2 13 GLY CA 7.500 . 7.500 2.821 2.679 2.971 . 0 0 "[ . 1 . 2]" 1
1386 1 5 VAL H 2 14 LYS CB 7.500 . 7.500 5.572 5.351 5.849 . 0 0 "[ . 1 . 2]" 1
1387 1 6 VAL H 2 12 ARG CB 7.500 . 7.500 5.133 5.053 5.239 . 0 0 "[ . 1 . 2]" 1
1388 1 7 TYR H 2 11 ILE CG1 7.500 . 7.500 5.505 5.433 5.574 . 0 0 "[ . 1 . 2]" 1
1389 1 7 TYR H 2 12 ARG CB 7.500 . 7.500 4.851 4.789 4.891 . 0 0 "[ . 1 . 2]" 1
1390 1 7 TYR H 2 17 PHE CB 7.500 . 7.500 5.093 4.988 5.206 . 0 0 "[ . 1 . 2]" 1
1391 1 8 THR H 2 10 ASN CB 7.500 . 7.500 5.557 5.413 5.647 . 0 0 "[ . 1 . 2]" 1
1392 1 8 THR H 2 17 PHE CB 7.500 . 7.500 6.849 6.759 6.942 . 0 0 "[ . 1 . 2]" 1
1393 1 9 LEU H 2 9 LEU CB 7.500 . 7.500 3.898 3.790 3.947 . 0 0 "[ . 1 . 2]" 1
1394 1 9 LEU H 2 10 ASN CB 7.500 . 7.500 5.059 4.949 5.142 . 0 0 "[ . 1 . 2]" 1
1395 1 9 LEU H 2 11 ILE CG1 7.500 . 7.500 4.999 4.854 5.067 . 0 0 "[ . 1 . 2]" 1
1396 1 10 ASN H 2 9 LEU CB 7.500 . 7.500 6.309 6.243 6.389 . 0 0 "[ . 1 . 2]" 1
1397 1 10 ASN H 2 24 LYS CD 7.500 . 7.500 6.217 5.982 6.420 . 0 0 "[ . 1 . 2]" 1
1398 1 10 ASN H 2 24 LYS CE 7.500 . 7.500 5.295 5.118 5.494 . 0 0 "[ . 1 . 2]" 1
1399 1 11 ILE H 2 7 TYR CB 7.500 . 7.500 4.279 4.174 4.399 . 0 0 "[ . 1 . 2]" 1
1400 1 11 ILE H 2 9 LEU CB 7.500 . 7.500 5.052 4.956 5.152 . 0 0 "[ . 1 . 2]" 1
1401 1 11 ILE H 2 24 LYS CE 7.500 . 7.500 5.264 5.078 5.412 . 0 0 "[ . 1 . 2]" 1
1402 1 12 ARG H 2 7 TYR CB 7.500 . 7.500 6.412 6.284 6.504 . 0 0 "[ . 1 . 2]" 1
1403 1 12 ARG H 2 24 LYS CD 7.500 . 7.500 5.917 5.687 6.168 . 0 0 "[ . 1 . 2]" 1
1404 1 12 ARG H 2 24 LYS CE 7.500 . 7.500 4.518 4.280 4.798 . 0 0 "[ . 1 . 2]" 1
1405 1 13 GLY H 2 4 ASP CB 7.500 . 7.500 5.220 5.157 5.268 . 0 0 "[ . 1 . 2]" 1
1406 1 17 PHE H 2 7 TYR CB 7.500 . 7.500 5.241 5.144 5.307 . 0 0 "[ . 1 . 2]" 1
1407 1 24 LYS H 2 11 ILE CG1 7.500 . 7.500 6.052 5.934 6.149 . 0 0 "[ . 1 . 2]" 1
1408 1 27 LEU H 2 16 LYS CD 7.500 . 7.500 5.825 5.753 5.935 . 0 0 "[ . 1 . 2]" 1
1409 1 27 LEU H 2 16 LYS CE 7.500 . 7.500 6.838 6.708 6.974 . 0 0 "[ . 1 . 2]" 1
1410 1 28 ASP H 2 16 LYS CB 7.500 . 7.500 6.155 5.982 6.281 . 0 0 "[ . 1 . 2]" 1
1411 1 28 ASP H 2 16 LYS CD 7.500 . 7.500 4.194 4.056 4.318 . 0 0 "[ . 1 . 2]" 1
1412 1 28 ASP H 2 16 LYS CE 7.500 . 7.500 5.022 4.909 5.163 . 0 0 "[ . 1 . 2]" 1
1413 1 29 LEU H 3 30 LEU CB 7.500 . 7.500 6.798 6.661 6.925 . 0 0 "[ . 1 . 2]" 1
1414 1 10 ASN H 4 47 ILE CG1 7.500 . 7.500 5.906 5.789 5.995 . 0 0 "[ . 1 . 2]" 1
1415 1 11 ILE H 4 47 ILE CG1 7.500 . 7.500 5.604 5.439 5.746 . 0 0 "[ . 1 . 2]" 1
1416 1 12 ARG H 4 47 ILE CG1 7.500 . 7.500 3.294 3.192 3.436 . 0 0 "[ . 1 . 2]" 1
1417 1 47 ILE H 4 10 ASN CB 7.500 . 7.500 5.688 5.462 5.872 . 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 40
_Distance_constraint_stats_list.Viol_count 100
_Distance_constraint_stats_list.Viol_total 131.021
_Distance_constraint_stats_list.Viol_max 0.173
_Distance_constraint_stats_list.Viol_rms 0.0273
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0082
_Distance_constraint_stats_list.Viol_average_violations_only 0.0655
_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 7 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ARG 3.034 0.143 12 0 "[ . 1 . 2]"
1 16 LYS 0.082 0.049 20 0 "[ . 1 . 2]"
1 17 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 GLU 0.685 0.076 12 0 "[ . 1 . 2]"
1 19 LYS 3.563 0.143 12 0 "[ . 1 . 2]"
1 20 VAL 0.082 0.049 20 0 "[ . 1 . 2]"
1 21 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 GLU 0.685 0.076 12 0 "[ . 1 . 2]"
1 23 TYR 0.530 0.074 20 0 "[ . 1 . 2]"
1 24 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 LEU 0.070 0.070 2 0 "[ . 1 . 2]"
1 28 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 ASP 0.070 0.070 2 0 "[ . 1 . 2]"
1 36 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 LYS 2.150 0.173 3 0 "[ . 1 . 2]"
1 40 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 GLN 2.150 0.173 3 0 "[ . 1 . 2]"
2 7 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
2 9 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 11 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 15 ARG O 1 19 LYS H 1.900 . 2.300 2.424 2.391 2.443 0.143 12 0 "[ . 1 . 2]" 2
2 1 15 ARG O 1 19 LYS N 2.900 2.400 3.300 3.326 3.266 3.357 0.057 20 0 "[ . 1 . 2]" 2
3 1 16 LYS O 1 20 VAL H 1.900 . 2.300 2.242 2.145 2.349 0.049 20 0 "[ . 1 . 2]" 2
4 1 16 LYS O 1 20 VAL N 2.900 2.400 3.300 3.203 3.090 3.314 0.014 20 0 "[ . 1 . 2]" 2
5 1 17 PHE O 1 21 LYS H 1.900 . 2.300 1.647 1.605 1.701 . 0 0 "[ . 1 . 2]" 2
6 1 17 PHE O 1 21 LYS N 2.900 2.400 3.300 2.595 2.567 2.642 . 0 0 "[ . 1 . 2]" 2
7 1 18 GLU O 1 22 GLU H 1.900 . 2.300 2.332 2.273 2.376 0.076 12 0 "[ . 1 . 2]" 2
8 1 18 GLU O 1 22 GLU N 2.900 2.400 3.300 3.170 3.088 3.240 . 0 0 "[ . 1 . 2]" 2
9 1 19 LYS O 1 23 TYR H 1.900 . 2.300 2.322 2.245 2.374 0.074 20 0 "[ . 1 . 2]" 2
10 1 19 LYS O 1 23 TYR N 2.900 2.400 3.300 3.116 3.040 3.204 . 0 0 "[ . 1 . 2]" 2
11 1 20 VAL O 1 24 LYS H 1.900 . 2.300 1.864 1.804 1.964 . 0 0 "[ . 1 . 2]" 2
12 1 20 VAL O 1 24 LYS N 2.900 2.400 3.300 2.782 2.714 2.864 . 0 0 "[ . 1 . 2]" 2
13 1 21 LYS O 1 25 GLU H 1.900 . 2.300 1.991 1.804 2.295 . 0 0 "[ . 1 . 2]" 2
14 1 21 LYS O 1 25 GLU N 2.900 2.400 3.300 2.939 2.750 3.188 . 0 0 "[ . 1 . 2]" 2
15 1 22 GLU O 1 26 ALA H 1.900 . 2.300 2.085 1.804 2.279 . 0 0 "[ . 1 . 2]" 2
16 1 22 GLU O 1 26 ALA N 2.900 2.400 3.300 3.002 2.767 3.165 . 0 0 "[ . 1 . 2]" 2
17 1 23 TYR O 1 27 LEU H 1.900 . 2.300 1.780 1.735 1.834 . 0 0 "[ . 1 . 2]" 2
18 1 23 TYR O 1 27 LEU N 2.900 2.400 3.300 2.709 2.664 2.769 . 0 0 "[ . 1 . 2]" 2
19 1 24 LYS O 1 28 ASP H 1.900 . 2.300 1.807 1.735 1.898 . 0 0 "[ . 1 . 2]" 2
20 1 24 LYS O 1 28 ASP N 2.900 2.400 3.300 2.743 2.677 2.833 . 0 0 "[ . 1 . 2]" 2
21 1 25 GLU O 1 29 LEU H 1.900 . 2.300 1.953 1.803 2.104 . 0 0 "[ . 1 . 2]" 2
22 1 25 GLU O 1 29 LEU N 2.900 2.400 3.300 2.837 2.714 2.967 . 0 0 "[ . 1 . 2]" 2
23 1 26 ALA O 1 30 LEU H 1.900 . 2.300 1.878 1.820 1.950 . 0 0 "[ . 1 . 2]" 2
24 1 26 ALA O 1 30 LEU N 2.900 2.400 3.300 2.780 2.719 2.846 . 0 0 "[ . 1 . 2]" 2
25 1 27 LEU O 1 31 ASP H 1.900 . 2.300 2.131 1.941 2.370 0.070 2 0 "[ . 1 . 2]" 2
26 1 27 LEU O 1 31 ASP N 2.900 2.400 3.300 3.010 2.835 3.294 . 0 0 "[ . 1 . 2]" 2
27 1 36 ASP O 1 40 ALA H 1.900 . 2.300 1.975 1.908 2.120 . 0 0 "[ . 1 . 2]" 2
28 1 36 ASP O 1 40 ALA N 2.900 2.400 3.300 2.946 2.879 3.094 . 0 0 "[ . 1 . 2]" 2
29 1 37 VAL O 1 41 CYS H 1.900 . 2.300 1.709 1.658 1.797 . 0 0 "[ . 1 . 2]" 2
30 1 37 VAL O 1 41 CYS N 2.900 2.400 3.300 2.593 2.566 2.644 . 0 0 "[ . 1 . 2]" 2
31 1 38 LYS O 1 42 CYS H 1.900 . 2.300 1.828 1.687 2.012 . 0 0 "[ . 1 . 2]" 2
32 1 38 LYS O 1 42 CYS N 2.900 2.400 3.300 2.755 2.640 2.937 . 0 0 "[ . 1 . 2]" 2
33 1 39 LYS O 1 43 GLN H 1.900 . 2.300 2.404 2.316 2.473 0.173 3 0 "[ . 1 . 2]" 2
34 1 39 LYS O 1 43 GLN N 2.900 2.400 3.300 3.244 3.114 3.338 0.038 3 0 "[ . 1 . 2]" 2
35 1 7 TYR O 2 11 ILE H 1.900 . 2.300 1.789 1.751 1.841 . 0 0 "[ . 1 . 2]" 2
36 1 7 TYR O 2 11 ILE N 2.900 2.400 3.300 2.728 2.693 2.775 . 0 0 "[ . 1 . 2]" 2
37 1 9 LEU O 2 9 LEU H 1.900 . 2.300 2.000 1.907 2.117 . 0 0 "[ . 1 . 2]" 2
38 1 9 LEU O 2 9 LEU N 2.900 2.400 3.300 2.797 2.730 2.884 . 0 0 "[ . 1 . 2]" 2
39 1 11 ILE O 2 7 TYR H 1.900 . 2.300 1.801 1.710 1.868 . 0 0 "[ . 1 . 2]" 2
40 1 11 ILE O 2 7 TYR N 2.900 2.400 3.300 2.734 2.666 2.797 . 0 0 "[ . 1 . 2]" 2
stop_
save_
Contact the webmaster for help, if required. Thursday, May 23, 2024 8:35:54 PM GMT (wattos1)