NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
388308 |
1mxl   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1mxl
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 1021
_Distance_constraint_stats_list.Viol_count 429
_Distance_constraint_stats_list.Viol_total 1864.694
_Distance_constraint_stats_list.Viol_max 0.474
_Distance_constraint_stats_list.Viol_rms 0.0163
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0011
_Distance_constraint_stats_list.Viol_average_violations_only 0.1087
_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 2 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 3 ASP 0.009 0.009 24 0 "[ . 1 . 2 . 3 . 4]"
1 4 ILE 0.239 0.065 32 0 "[ . 1 . 2 . 3 . 4]"
1 5 TYR 0.239 0.065 32 0 "[ . 1 . 2 . 3 . 4]"
1 6 LYS 0.009 0.009 24 0 "[ . 1 . 2 . 3 . 4]"
1 7 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 8 ALA 0.048 0.046 26 0 "[ . 1 . 2 . 3 . 4]"
1 9 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 10 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 11 GLN 0.026 0.016 9 0 "[ . 1 . 2 . 3 . 4]"
1 12 LEU 0.026 0.016 9 0 "[ . 1 . 2 . 3 . 4]"
1 13 THR 0.007 0.007 39 0 "[ . 1 . 2 . 3 . 4]"
1 14 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 15 GLU 0.048 0.015 15 0 "[ . 1 . 2 . 3 . 4]"
1 16 GLN 0.177 0.034 15 0 "[ . 1 . 2 . 3 . 4]"
1 17 LYS 0.003 0.003 37 0 "[ . 1 . 2 . 3 . 4]"
1 18 ASN 0.125 0.023 38 0 "[ . 1 . 2 . 3 . 4]"
1 19 GLU 0.003 0.003 37 0 "[ . 1 . 2 . 3 . 4]"
1 20 PHE 0.220 0.034 15 0 "[ . 1 . 2 . 3 . 4]"
1 21 LYS 0.072 0.018 14 0 "[ . 1 . 2 . 3 . 4]"
1 22 ALA 3.506 0.401 6 0 "[ . 1 . 2 . 3 . 4]"
1 23 ALA 8.741 0.373 36 0 "[ . 1 . 2 . 3 . 4]"
1 24 PHE 0.036 0.023 7 0 "[ . 1 . 2 . 3 . 4]"
1 25 ASP 0.094 0.018 14 0 "[ . 1 . 2 . 3 . 4]"
1 26 ILE 10.063 0.391 30 0 "[ . 1 . 2 . 3 . 4]"
1 27 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 28 VAL 1.678 0.127 9 0 "[ . 1 . 2 . 3 . 4]"
1 29 LEU 0.152 0.051 21 0 "[ . 1 . 2 . 3 . 4]"
1 30 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 31 ALA 0.152 0.051 21 0 "[ . 1 . 2 . 3 . 4]"
1 32 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 33 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 34 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 35 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 36 ILE 0.474 0.127 9 0 "[ . 1 . 2 . 3 . 4]"
1 37 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 38 THR 0.024 0.014 31 0 "[ . 1 . 2 . 3 . 4]"
1 39 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 40 GLU 0.024 0.015 20 0 "[ . 1 . 2 . 3 . 4]"
1 41 LEU 0.125 0.125 11 0 "[ . 1 . 2 . 3 . 4]"
1 42 GLY 0.126 0.125 11 0 "[ . 1 . 2 . 3 . 4]"
1 43 LYS 0.169 0.030 16 0 "[ . 1 . 2 . 3 . 4]"
1 44 VAL 6.545 0.474 26 0 "[ . 1 . 2 . 3 . 4]"
1 45 MET 1.013 0.188 7 0 "[ . 1 . 2 . 3 . 4]"
1 46 ARG 0.320 0.047 39 0 "[ . 1 . 2 . 3 . 4]"
1 47 MET 9.256 0.410 23 0 "[ . 1 . 2 . 3 . 4]"
1 48 LEU 1.309 0.237 16 0 "[ . 1 . 2 . 3 . 4]"
1 49 GLY 0.007 0.007 35 0 "[ . 1 . 2 . 3 . 4]"
1 50 GLN 0.133 0.038 5 0 "[ . 1 . 2 . 3 . 4]"
1 51 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 52 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 53 THR 0.062 0.020 37 0 "[ . 1 . 2 . 3 . 4]"
1 54 PRO 0.022 0.013 26 0 "[ . 1 . 2 . 3 . 4]"
1 55 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 56 GLU 0.062 0.020 37 0 "[ . 1 . 2 . 3 . 4]"
1 57 LEU 0.242 0.183 5 0 "[ . 1 . 2 . 3 . 4]"
1 58 GLN 0.022 0.013 26 0 "[ . 1 . 2 . 3 . 4]"
1 59 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 60 MET 1.357 0.309 22 0 "[ . 1 . 2 . 3 . 4]"
1 61 ILE 0.020 0.014 31 0 "[ . 1 . 2 . 3 . 4]"
1 62 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 63 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 64 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 65 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 66 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 67 ASP 0.026 0.012 4 0 "[ . 1 . 2 . 3 . 4]"
1 68 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 69 SER 0.026 0.012 4 0 "[ . 1 . 2 . 3 . 4]"
1 70 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 71 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 72 VAL 0.006 0.006 28 0 "[ . 1 . 2 . 3 . 4]"
1 73 ASP 0.936 0.133 30 0 "[ . 1 . 2 . 3 . 4]"
1 74 PHE 0.015 0.008 6 0 "[ . 1 . 2 . 3 . 4]"
1 75 ASP 0.914 0.133 30 0 "[ . 1 . 2 . 3 . 4]"
1 76 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 77 PHE 0.015 0.008 6 0 "[ . 1 . 2 . 3 . 4]"
1 78 LEU 0.005 0.005 16 0 "[ . 1 . 2 . 3 . 4]"
1 79 VAL 0.072 0.022 29 0 "[ . 1 . 2 . 3 . 4]"
1 80 MET 0.522 0.227 32 0 "[ . 1 . 2 . 3 . 4]"
1 81 MET 0.285 0.201 31 0 "[ . 1 . 2 . 3 . 4]"
1 82 VAL 0.062 0.046 26 0 "[ . 1 . 2 . 3 . 4]"
1 83 ARG 0.060 0.028 26 0 "[ . 1 . 2 . 3 . 4]"
1 84 CYS 0.000 0.000 23 0 "[ . 1 . 2 . 3 . 4]"
1 85 MET 0.045 0.028 26 0 "[ . 1 . 2 . 3 . 4]"
1 86 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 87 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 89 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
2 2 ILE 3.135 0.309 22 0 "[ . 1 . 2 . 3 . 4]"
2 6 ALA 0.462 0.232 36 0 "[ . 1 . 2 . 3 . 4]"
2 7 MET 8.076 0.373 36 0 "[ . 1 . 2 . 3 . 4]"
2 8 MET 0.516 0.244 13 0 "[ . 1 . 2 . 3 . 4]"
2 10 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
2 11 LEU 19.512 0.474 26 0 "[ . 1 . 2 . 3 . 4]"
2 12 LEU 9.867 0.401 6 0 "[ . 1 . 2 . 3 . 4]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 ASP HA 1 3 ASP H 2.360 . 3.020 2.484 2.210 3.017 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
2 1 3 ASP H 1 3 ASP QB 2.480 . 3.260 2.465 1.964 2.937 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
3 1 3 ASP HA 1 3 ASP QB 2.660 . 3.620 2.460 2.205 2.548 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
4 1 3 ASP HA 1 4 ILE H 2.750 . 3.790 2.710 2.225 3.526 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
5 1 3 ASP HA 1 6 LYS H 3.150 . 4.600 4.014 3.392 4.609 0.009 24 0 "[ . 1 . 2 . 3 . 4]" 1
6 1 3 ASP HA 1 6 LYS QB 3.060 . 4.420 3.584 2.610 3.969 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
7 1 4 ILE H 1 4 ILE HA 2.770 . 3.840 2.885 2.358 3.003 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
8 1 4 ILE H 1 4 ILE HB 2.720 . 3.740 2.825 2.262 3.690 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
9 1 4 ILE H 1 5 TYR H 2.630 . 3.570 2.394 1.866 3.635 0.065 32 0 "[ . 1 . 2 . 3 . 4]" 1
10 1 4 ILE HA 1 4 ILE HB 2.650 . 3.590 2.791 2.387 3.037 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
11 1 4 ILE HA 1 4 ILE MD 3.560 . 5.420 3.581 2.120 4.112 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
12 1 4 ILE HA 1 4 ILE QG 3.040 . 4.370 2.450 2.140 3.298 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
13 1 4 ILE HA 1 4 ILE MG 3.020 . 4.340 2.681 2.121 3.199 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
14 1 4 ILE HA 1 5 TYR H 3.020 . 4.340 3.503 3.105 3.595 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
15 1 4 ILE HA 1 7 ALA H 3.160 . 4.620 4.196 3.633 4.619 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
16 1 4 ILE HA 1 7 ALA MB 2.980 . 4.260 3.258 2.518 3.552 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
17 1 4 ILE HB 1 4 ILE MD 3.210 . 4.710 2.264 1.898 3.193 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
18 1 4 ILE HB 1 5 TYR H 3.290 . 4.870 3.212 2.087 4.475 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
19 1 4 ILE MD 1 5 TYR QE 3.850 . 6.000 3.757 2.290 4.463 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
20 1 4 ILE QG 1 4 ILE MG 2.690 . 3.670 2.170 1.857 2.386 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
21 1 4 ILE MG 1 5 TYR QE 3.850 . 6.000 3.364 2.185 4.392 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
22 1 5 TYR H 1 5 TYR HA 2.730 . 3.760 2.936 2.751 3.003 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
23 1 5 TYR H 1 5 TYR QB 2.700 . 3.700 2.337 2.073 2.525 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
24 1 5 TYR H 1 5 TYR QD 3.380 . 5.060 2.592 1.858 3.757 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
25 1 5 TYR H 1 6 LYS H 2.510 . 3.320 2.570 2.042 3.120 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
26 1 5 TYR H 1 6 LYS QB 3.810 . 5.910 4.174 3.615 4.948 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
27 1 5 TYR HA 1 5 TYR QD 2.970 . 4.240 2.547 1.887 3.059 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
28 1 5 TYR HA 1 5 TYR QE 3.720 . 5.740 4.444 4.147 4.668 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
29 1 5 TYR HA 1 6 LYS H 3.150 . 4.600 3.587 3.563 3.599 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
30 1 5 TYR HA 1 8 ALA H 2.970 . 4.240 3.318 2.938 3.787 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
31 1 5 TYR HA 1 8 ALA MB 2.920 . 4.130 2.743 2.178 3.342 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
32 1 5 TYR HA 1 9 VAL H 3.610 . 5.520 4.359 3.540 5.040 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
33 1 5 TYR HA 1 82 VAL MG1 3.850 . 6.000 2.565 2.001 3.652 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
34 1 5 TYR HA 1 82 VAL MG2 3.770 . 5.830 4.212 3.529 4.860 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
35 1 5 TYR QB 1 6 LYS H 2.930 . 4.160 2.229 1.841 2.627 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
36 1 5 TYR QB 1 7 ALA H 3.270 . 4.840 4.288 4.131 4.347 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
37 1 5 TYR QB 1 79 VAL MG1 3.350 . 5.000 2.715 1.820 3.557 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
38 1 5 TYR QB 1 82 VAL MG2 3.500 . 5.290 3.789 3.363 3.935 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
39 1 5 TYR QD 1 6 LYS H 3.500 . 5.300 3.957 3.576 4.438 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
40 1 5 TYR QD 1 82 VAL MG1 3.850 . 6.000 2.103 1.756 3.138 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
41 1 5 TYR QD 1 82 VAL MG2 3.570 . 5.440 3.832 3.039 4.044 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
42 1 5 TYR QD 1 83 ARG HA 3.570 . 5.440 3.944 3.004 4.862 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
43 1 5 TYR QE 1 83 ARG HA 3.480 . 5.260 2.423 1.866 4.335 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
44 1 5 TYR QE 1 83 ARG QD 3.780 . 5.860 4.217 3.528 4.660 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
45 1 6 LYS H 1 6 LYS HA 2.730 . 3.750 2.781 2.750 2.858 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
46 1 6 LYS H 1 6 LYS QB 2.820 . 3.940 2.187 1.956 2.500 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
47 1 6 LYS H 1 6 LYS QD 3.850 . 6.000 3.904 2.150 4.608 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
48 1 6 LYS H 1 6 LYS QG 2.710 . 3.710 2.577 1.925 3.324 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
49 1 6 LYS HA 1 6 LYS QG 2.690 . 3.690 2.441 1.912 3.347 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
50 1 6 LYS HA 1 7 ALA H 2.910 . 4.120 3.515 3.451 3.576 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
51 1 6 LYS HA 1 9 VAL H 3.100 . 4.500 3.709 3.301 4.056 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
52 1 6 LYS HA 1 9 VAL HB 2.590 . 3.480 3.100 2.498 3.395 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
53 1 6 LYS HA 1 9 VAL MG2 2.710 . 3.730 2.357 1.851 2.972 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
54 1 6 LYS QB 1 7 ALA H 2.820 . 3.940 2.983 2.447 3.539 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
55 1 6 LYS QB 1 8 ALA H 3.850 . 6.000 5.031 4.572 5.353 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
56 1 6 LYS QE 1 6 LYS QG 2.690 . 3.680 2.108 1.898 2.372 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
57 1 7 ALA H 1 7 ALA HA 2.540 . 3.380 2.906 2.852 2.933 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
58 1 7 ALA H 1 7 ALA MB 2.560 . 3.430 2.033 1.914 2.181 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
59 1 7 ALA H 1 8 ALA H 2.690 . 3.690 2.623 2.392 2.922 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
60 1 7 ALA HA 1 7 ALA MB 2.420 . 3.130 2.134 2.114 2.156 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
61 1 7 ALA HA 1 10 GLU QB 2.690 . 3.670 3.082 2.799 3.277 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
62 1 7 ALA MB 1 8 ALA H 2.880 . 4.050 2.427 1.990 2.876 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
63 1 7 ALA MB 1 10 GLU QB 3.850 . 6.000 4.353 4.147 4.477 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
64 1 7 ALA MB 1 11 GLN HE21 3.850 . 6.000 4.014 2.298 4.992 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
65 1 7 ALA MB 1 11 GLN HE22 3.850 . 6.000 3.868 2.126 4.979 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
66 1 8 ALA H 1 8 ALA HA 2.540 . 3.370 2.850 2.775 2.937 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
67 1 8 ALA H 1 8 ALA MB 2.620 . 3.540 2.020 1.908 2.149 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
68 1 8 ALA H 1 9 VAL H 2.620 . 3.540 2.722 2.488 2.985 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
69 1 8 ALA H 1 9 VAL HB 3.480 . 5.250 4.935 4.590 5.197 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
70 1 8 ALA H 1 9 VAL MG2 3.830 . 5.960 3.780 3.512 4.180 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
71 1 8 ALA HA 1 8 ALA MB 2.420 . 3.130 2.133 2.114 2.157 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
72 1 8 ALA HA 1 9 VAL H 2.810 . 3.910 3.545 3.440 3.589 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
73 1 8 ALA HA 1 11 GLN H 2.810 . 3.920 3.530 3.113 3.903 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
74 1 8 ALA HA 1 11 GLN QB 2.920 . 4.140 2.526 2.051 3.333 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
75 1 8 ALA HA 1 11 GLN QG 3.310 . 4.910 4.010 2.027 4.382 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
76 1 8 ALA MB 1 9 VAL H 3.000 . 4.300 2.611 2.269 3.039 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
77 1 8 ALA MB 1 11 GLN H 3.850 . 6.000 4.498 4.223 4.841 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
78 1 8 ALA MB 1 82 VAL MG1 3.660 . 5.620 1.904 1.654 2.264 0.046 26 0 "[ . 1 . 2 . 3 . 4]" 1
79 1 8 ALA MB 1 82 VAL MG2 2.980 . 4.260 2.772 2.332 2.962 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
80 1 9 VAL H 1 9 VAL HA 2.700 . 3.700 2.852 2.770 2.942 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
81 1 9 VAL H 1 9 VAL HB 2.420 . 3.130 2.556 2.423 2.655 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
82 1 9 VAL H 1 9 VAL MG2 2.640 . 3.580 1.913 1.819 2.207 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
83 1 9 VAL H 1 10 GLU H 2.610 . 3.530 2.840 2.535 3.138 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
84 1 9 VAL H 1 82 VAL MG2 3.750 . 5.800 3.735 3.157 4.212 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
85 1 9 VAL HA 1 9 VAL HB 2.670 . 3.650 3.034 3.029 3.038 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
86 1 9 VAL HA 1 9 VAL MG1 2.580 . 3.460 2.285 2.181 2.390 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
87 1 9 VAL HA 1 9 VAL MG2 2.610 . 3.530 2.403 2.312 2.482 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
88 1 9 VAL HA 1 10 GLU H 3.120 . 4.540 3.583 3.562 3.594 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
89 1 9 VAL HA 1 11 GLN H 3.120 . 4.540 3.922 3.641 4.494 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
90 1 9 VAL HA 1 12 LEU MD1 3.450 . 5.200 2.103 1.789 4.239 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
91 1 9 VAL HA 1 12 LEU MD2 3.770 . 5.830 3.532 1.994 4.450 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
92 1 9 VAL HA 1 12 LEU HG 3.250 . 4.790 2.448 1.866 3.528 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
93 1 9 VAL HA 1 82 VAL MG1 3.750 . 5.800 4.669 4.194 4.840 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
94 1 9 VAL HA 1 82 VAL MG2 3.230 . 4.750 3.521 2.925 3.931 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
95 1 9 VAL HB 1 9 VAL MG1 2.460 . 3.230 2.135 2.108 2.151 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
96 1 9 VAL HB 1 9 VAL MG2 2.420 . 3.140 2.123 2.109 2.147 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
97 1 9 VAL HB 1 10 GLU H 2.570 . 3.440 2.211 1.907 2.431 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
98 1 9 VAL MG1 1 10 GLU H 3.250 . 4.800 3.352 2.631 3.594 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
99 1 9 VAL MG1 1 10 GLU HA 3.140 . 4.580 3.716 3.186 3.829 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
100 1 9 VAL MG1 1 78 LEU QB 3.050 . 4.400 2.479 1.827 3.183 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
101 1 9 VAL MG1 1 78 LEU MD1 3.250 . 4.790 2.482 1.786 3.242 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
102 1 9 VAL MG2 1 10 GLU H 3.000 . 4.290 3.577 3.497 3.605 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
103 1 10 GLU H 1 10 GLU HA 2.650 . 3.600 2.842 2.769 2.919 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
104 1 10 GLU H 1 10 GLU QB 2.730 . 3.750 2.045 1.916 2.377 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
105 1 10 GLU H 1 10 GLU QG 2.950 . 4.200 3.083 1.924 3.798 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
106 1 10 GLU H 1 11 GLN H 2.630 . 3.560 2.710 2.449 2.891 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
107 1 10 GLU H 1 12 LEU H 3.370 . 5.040 4.341 3.937 4.969 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
108 1 10 GLU HA 1 10 GLU QG 2.830 . 3.970 2.209 1.910 2.688 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
109 1 10 GLU HA 1 11 GLN H 2.860 . 4.020 3.472 3.376 3.571 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
110 1 10 GLU HA 1 12 LEU H 3.060 . 4.420 3.702 3.444 4.375 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
111 1 10 GLU QB 1 11 GLN H 3.160 . 4.620 2.976 2.477 3.241 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
112 1 11 GLN H 1 11 GLN HA 2.610 . 3.530 2.957 2.910 2.998 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
113 1 11 GLN H 1 11 GLN QB 2.630 . 3.570 2.137 1.957 2.481 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
114 1 11 GLN H 1 11 GLN QG 3.020 . 4.340 3.198 2.090 3.894 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
115 1 11 GLN H 1 12 LEU HA 3.360 . 5.020 4.865 4.574 5.036 0.016 9 0 "[ . 1 . 2 . 3 . 4]" 1
116 1 11 GLN HA 1 11 GLN HE22 3.850 . 6.000 5.437 3.721 5.949 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
117 1 11 GLN HA 1 11 GLN QG 3.020 . 4.330 2.181 1.906 2.523 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
118 1 11 GLN HA 1 12 LEU H 2.790 . 3.870 3.224 2.822 3.492 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
119 1 11 GLN QB 1 12 LEU H 3.120 . 4.540 3.439 2.957 3.872 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
120 1 11 GLN QB 1 12 LEU HA 3.220 . 4.740 4.136 3.918 4.268 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
121 1 11 GLN QG 1 12 LEU H 3.720 . 5.740 4.526 3.926 4.891 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
122 1 12 LEU H 1 12 LEU HA 2.710 . 3.730 2.882 2.764 3.002 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
123 1 12 LEU H 1 12 LEU QB 2.620 . 3.540 2.192 1.991 2.399 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
124 1 12 LEU H 1 12 LEU MD1 3.850 . 6.000 3.523 3.097 4.066 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
125 1 12 LEU H 1 12 LEU MD2 3.270 . 4.840 3.650 2.017 4.010 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
126 1 12 LEU H 1 12 LEU HG 2.740 . 3.780 2.542 1.978 3.711 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
127 1 12 LEU H 1 13 THR H 3.740 . 5.780 4.540 3.945 4.707 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
128 1 12 LEU HA 1 12 LEU MD2 2.800 . 3.900 2.019 1.829 2.370 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
129 1 12 LEU HA 1 12 LEU HG 2.980 . 4.260 2.752 2.383 3.563 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
130 1 12 LEU HA 1 13 THR H 2.670 . 3.650 2.417 2.208 3.040 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
131 1 12 LEU HA 1 13 THR MG 3.560 . 5.420 3.962 2.869 4.536 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
132 1 12 LEU QB 1 12 LEU MD2 2.970 . 4.240 2.195 2.023 2.415 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
133 1 12 LEU QB 1 13 THR H 3.470 . 5.240 2.857 1.811 3.917 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
134 1 12 LEU MD1 1 17 LYS HA 3.850 . 6.000 3.804 1.989 4.886 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
135 1 12 LEU MD1 1 20 PHE QD 3.850 . 6.000 3.569 2.265 4.439 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
136 1 12 LEU MD2 1 13 THR H 3.670 . 5.630 3.085 2.113 3.938 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
137 1 12 LEU MD2 1 16 GLN QB 3.850 . 6.000 2.937 1.848 4.100 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
138 1 12 LEU MD2 1 16 GLN HE21 3.850 . 6.000 3.111 1.783 4.628 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
139 1 12 LEU MD2 1 16 GLN HE22 3.850 . 6.000 3.462 2.152 4.636 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
140 1 12 LEU MD2 1 20 PHE QD 3.850 . 6.000 3.937 3.065 4.467 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
141 1 12 LEU MD2 1 78 LEU MD2 3.850 . 6.000 3.506 2.528 4.164 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
142 1 13 THR H 1 13 THR HA 2.950 . 4.200 2.949 2.792 3.003 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
143 1 13 THR H 1 13 THR HB 3.850 . 6.000 3.515 3.317 3.780 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
144 1 13 THR H 1 13 THR MG 3.480 . 5.260 2.890 1.881 3.741 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
145 1 13 THR H 1 16 GLN H 3.420 . 5.130 3.831 3.223 4.598 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
146 1 13 THR H 1 16 GLN QB 3.770 . 5.830 2.456 1.836 3.919 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
147 1 13 THR H 1 17 LYS H 3.850 . 6.000 3.839 2.964 5.474 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
148 1 13 THR HA 1 13 THR HB 2.640 . 3.580 2.639 2.407 2.815 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
149 1 13 THR HA 1 13 THR MG 2.980 . 4.260 2.191 1.947 2.496 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
150 1 13 THR HA 1 14 GLU H 2.550 . 3.400 2.414 2.261 2.640 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
151 1 13 THR HA 1 15 GLU H 3.370 . 5.040 4.426 3.849 5.047 0.007 39 0 "[ . 1 . 2 . 3 . 4]" 1
152 1 13 THR HA 1 16 GLN H 3.480 . 5.260 4.768 4.366 5.234 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
153 1 13 THR HB 1 14 GLU H 2.660 . 3.620 2.781 2.241 3.327 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
154 1 13 THR HB 1 15 GLU H 2.750 . 3.800 2.872 2.430 3.538 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
155 1 13 THR HB 1 16 GLN H 3.090 . 4.480 3.309 2.481 4.372 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
156 1 13 THR MG 1 14 GLU H 3.640 . 5.580 3.476 2.762 4.161 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
157 1 13 THR MG 1 15 GLU H 3.850 . 6.000 4.330 3.794 4.869 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
158 1 14 GLU H 1 14 GLU HA 2.740 . 3.780 2.820 2.755 2.897 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
159 1 14 GLU H 1 14 GLU QB 2.910 . 4.120 2.139 1.928 2.504 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
160 1 14 GLU H 1 14 GLU QG 3.410 . 5.120 3.196 1.870 3.997 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
161 1 14 GLU H 1 15 GLU H 2.760 . 3.820 2.847 2.562 3.245 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
162 1 14 GLU HA 1 14 GLU QG 3.080 . 4.460 2.532 1.961 3.345 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
163 1 14 GLU HA 1 15 GLU H 3.190 . 4.670 3.561 3.469 3.595 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
164 1 14 GLU HA 1 17 LYS QD 3.270 . 4.830 3.056 1.997 4.202 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
165 1 14 GLU QB 1 18 ASN HD21 3.850 . 6.000 4.161 2.891 5.183 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
166 1 14 GLU QB 1 18 ASN HD22 3.850 . 6.000 4.082 2.209 5.355 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
167 1 14 GLU QG 1 18 ASN HD21 3.640 . 5.580 3.940 2.691 4.922 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
168 1 14 GLU QG 1 18 ASN HD22 3.770 . 5.840 3.574 2.158 5.134 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
169 1 15 GLU H 1 15 GLU HA 2.660 . 3.620 2.859 2.767 2.928 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
170 1 15 GLU H 1 15 GLU QB 2.790 . 3.880 2.067 1.925 2.369 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
171 1 15 GLU H 1 15 GLU QG 3.160 . 4.620 3.312 2.051 4.003 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
172 1 15 GLU H 1 16 GLN H 2.730 . 3.770 2.776 2.477 3.066 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
173 1 15 GLU HA 1 15 GLU QB 2.670 . 3.650 2.468 2.203 2.551 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
174 1 15 GLU HA 1 15 GLU QG 2.910 . 4.120 2.277 1.910 3.406 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
175 1 15 GLU HA 1 16 GLN H 3.170 . 4.630 3.567 3.440 3.596 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
176 1 15 GLU HA 1 18 ASN QB 2.880 . 4.060 2.900 2.156 3.627 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
177 1 15 GLU HA 1 18 ASN HD21 3.360 . 5.020 2.765 1.996 3.716 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
178 1 15 GLU HA 1 18 ASN HD22 3.120 . 4.540 4.078 1.898 4.555 0.015 15 0 "[ . 1 . 2 . 3 . 4]" 1
179 1 15 GLU QB 1 16 GLN H 3.070 . 4.440 2.511 2.018 3.675 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
180 1 16 GLN H 1 16 GLN HA 2.730 . 3.750 2.863 2.772 2.947 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
181 1 16 GLN H 1 16 GLN QB 3.230 . 4.750 2.241 2.052 2.668 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
182 1 16 GLN H 1 16 GLN QG 3.160 . 4.620 3.558 1.845 3.998 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
183 1 16 GLN H 1 17 LYS H 2.520 . 3.340 2.782 2.464 3.083 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
184 1 16 GLN HA 1 16 GLN QG 3.170 . 4.630 2.562 2.197 3.116 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
185 1 16 GLN HA 1 17 LYS H 3.180 . 4.660 3.579 3.515 3.595 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
186 1 16 GLN HA 1 19 GLU H 3.060 . 4.420 3.435 3.068 3.802 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
187 1 16 GLN HA 1 19 GLU QB 3.000 . 4.300 2.769 1.984 3.564 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
188 1 16 GLN HA 1 20 PHE H 3.210 . 4.710 4.631 4.321 4.744 0.034 15 0 "[ . 1 . 2 . 3 . 4]" 1
189 1 16 GLN QB 1 17 LYS H 3.470 . 5.240 2.324 1.851 2.852 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
190 1 16 GLN HE21 1 85 MET ME 3.780 . 5.860 3.711 2.154 4.852 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
191 1 16 GLN HE22 1 16 GLN QG 3.150 . 4.600 3.335 3.272 3.511 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
192 1 16 GLN HE22 1 85 MET ME 3.850 . 6.000 3.190 1.900 4.899 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
193 1 16 GLN QG 1 17 LYS H 2.690 . 3.670 3.229 2.874 3.333 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
194 1 17 LYS H 1 17 LYS HA 2.750 . 3.790 2.814 2.759 2.922 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
195 1 17 LYS H 1 17 LYS QB 2.620 . 3.540 2.028 1.931 2.303 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
196 1 17 LYS H 1 17 LYS QD 2.750 . 3.800 3.255 2.708 3.453 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
197 1 17 LYS H 1 17 LYS QG 3.250 . 4.800 3.451 2.109 3.975 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
198 1 17 LYS HA 1 17 LYS QD 3.300 . 4.900 3.579 2.381 4.371 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
199 1 17 LYS HA 1 17 LYS QG 3.160 . 4.620 2.315 1.910 3.305 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
200 1 17 LYS HA 1 19 GLU H 3.150 . 4.590 4.039 3.648 4.593 0.003 37 0 "[ . 1 . 2 . 3 . 4]" 1
201 1 17 LYS HA 1 20 PHE H 3.070 . 4.440 3.584 3.184 4.102 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
202 1 17 LYS HA 1 20 PHE QB 3.440 . 5.180 3.210 2.416 4.612 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
203 1 17 LYS HA 1 20 PHE QD 3.590 . 5.480 2.555 1.851 4.325 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
204 1 17 LYS HA 1 78 LEU MD2 3.730 . 5.760 3.523 2.260 4.546 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
205 1 17 LYS QB 1 17 LYS QD 3.110 . 4.520 2.035 1.883 2.307 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
206 1 17 LYS QB 1 18 ASN H 2.850 . 4.000 2.730 2.205 3.455 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
207 1 17 LYS QG 1 78 LEU MD1 3.850 . 6.000 3.731 2.239 4.457 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
208 1 17 LYS QG 1 78 LEU MD2 3.850 . 6.000 3.559 2.360 4.430 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
209 1 18 ASN H 1 18 ASN HA 2.670 . 3.640 2.875 2.796 2.915 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
210 1 18 ASN H 1 18 ASN QB 2.610 . 3.520 2.148 1.926 2.537 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
211 1 18 ASN H 1 19 GLU H 2.650 . 3.600 2.629 2.464 2.917 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
212 1 18 ASN HA 1 18 ASN HD21 3.570 . 5.440 4.215 3.221 4.689 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
213 1 18 ASN HA 1 18 ASN HD22 3.600 . 5.500 4.394 3.819 5.376 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
214 1 18 ASN HA 1 19 GLU H 3.080 . 4.460 3.496 3.340 3.586 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
215 1 18 ASN HA 1 20 PHE H 3.350 . 5.000 4.681 4.156 5.007 0.007 21 0 "[ . 1 . 2 . 3 . 4]" 1
216 1 18 ASN HA 1 21 LYS H 2.850 . 4.000 3.712 3.342 3.991 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
217 1 18 ASN HA 1 21 LYS QB 2.830 . 3.950 2.772 2.101 3.510 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
218 1 18 ASN HA 1 22 ALA H 3.380 . 5.050 4.842 4.418 5.073 0.023 38 0 "[ . 1 . 2 . 3 . 4]" 1
219 1 18 ASN QB 1 19 GLU H 2.920 . 4.130 2.871 2.450 3.670 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
220 1 19 GLU H 1 19 GLU HA 2.620 . 3.540 2.905 2.818 2.959 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
221 1 19 GLU H 1 19 GLU QB 2.650 . 3.610 2.088 1.923 2.433 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
222 1 19 GLU H 1 19 GLU QG 3.030 . 4.360 3.295 1.927 3.898 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
223 1 19 GLU H 1 20 PHE H 2.550 . 3.400 2.627 2.310 2.958 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
224 1 19 GLU HA 1 19 GLU QG 3.110 . 4.520 2.242 1.924 3.328 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
225 1 19 GLU HA 1 20 PHE H 3.060 . 4.420 3.576 3.477 3.603 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
226 1 19 GLU HA 1 22 ALA H 3.050 . 4.400 3.900 3.553 4.145 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
227 1 19 GLU HA 1 22 ALA MB 3.060 . 4.420 3.315 2.735 3.690 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
228 1 19 GLU QB 1 20 PHE H 2.850 . 4.000 2.468 2.069 3.595 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
229 1 19 GLU QG 1 20 PHE H 3.310 . 4.920 3.949 1.858 4.404 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
230 1 20 PHE H 1 20 PHE HA 2.840 . 3.980 2.872 2.795 2.931 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
231 1 20 PHE H 1 20 PHE QB 3.000 . 4.290 2.263 1.941 2.521 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
232 1 20 PHE H 1 20 PHE QD 3.010 . 4.320 2.789 1.877 3.274 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
233 1 20 PHE H 1 20 PHE QE 3.790 . 5.880 4.431 3.951 5.273 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
234 1 20 PHE H 1 21 LYS H 2.600 . 3.500 2.684 2.467 2.936 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
235 1 20 PHE H 1 22 ALA H 3.200 . 4.700 4.237 3.920 4.633 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
236 1 20 PHE H 1 78 LEU MD2 3.850 . 6.000 4.798 4.259 5.013 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
237 1 20 PHE HA 1 20 PHE QD 3.230 . 4.750 2.364 1.816 3.685 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
238 1 20 PHE HA 1 21 LYS H 3.020 . 4.340 3.565 3.521 3.591 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
239 1 20 PHE HA 1 22 ALA H 3.720 . 5.740 3.939 3.631 4.428 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
240 1 20 PHE HA 1 23 ALA H 2.930 . 4.160 3.534 3.217 3.754 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
241 1 20 PHE HA 1 23 ALA MB 3.080 . 4.460 3.125 2.599 3.563 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
242 1 20 PHE HA 1 24 PHE H 3.060 . 4.410 4.241 3.725 4.433 0.023 7 0 "[ . 1 . 2 . 3 . 4]" 1
243 1 20 PHE QB 1 20 PHE QE 3.850 . 6.000 3.984 3.959 4.018 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
244 1 20 PHE QB 1 21 LYS H 2.920 . 4.140 2.654 2.239 3.497 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
245 1 20 PHE QB 1 23 ALA H 3.720 . 5.740 5.016 4.630 5.129 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
246 1 20 PHE QB 1 78 LEU MD2 3.850 . 6.000 2.759 1.900 3.357 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
247 1 20 PHE QD 1 78 LEU MD2 3.850 . 6.000 2.504 1.843 3.154 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
248 1 20 PHE QE 1 78 LEU MD2 3.850 . 6.000 3.381 2.376 4.206 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
249 1 21 LYS H 1 21 LYS QB 2.520 . 3.350 2.093 1.946 2.475 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
250 1 21 LYS H 1 21 LYS QG 2.600 . 3.500 2.774 2.014 3.148 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
251 1 21 LYS H 1 22 ALA H 2.730 . 3.750 2.867 2.646 3.094 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
252 1 21 LYS H 1 74 PHE QE 3.060 . 4.420 3.726 2.825 3.975 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
253 1 21 LYS HA 1 21 LYS QD 2.770 . 3.850 3.054 1.915 3.466 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
254 1 21 LYS HA 1 22 ALA H 3.100 . 4.500 3.534 3.454 3.594 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
255 1 21 LYS HA 1 24 PHE H 3.600 . 5.500 3.701 3.382 4.132 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
256 1 21 LYS HA 1 24 PHE QB 2.960 . 4.210 2.393 1.953 2.872 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
257 1 21 LYS HA 1 25 ASP H 3.040 . 4.370 4.133 3.680 4.388 0.018 14 0 "[ . 1 . 2 . 3 . 4]" 1
258 1 21 LYS HA 1 74 PHE QE 3.500 . 5.300 2.596 1.842 3.398 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
259 1 21 LYS QB 1 22 ALA H 2.970 . 4.240 2.975 2.390 3.627 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
260 1 21 LYS QE 1 21 LYS QG 3.140 . 4.580 2.109 1.917 2.357 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
261 1 22 ALA H 1 22 ALA HA 2.370 . 3.040 2.851 2.754 2.924 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
262 1 22 ALA H 1 22 ALA MB 2.870 . 4.040 2.055 1.913 2.173 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
263 1 22 ALA HA 1 22 ALA MB 2.420 . 3.130 2.139 2.114 2.158 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
264 1 22 ALA HA 1 25 ASP H 2.790 . 3.890 3.668 3.390 3.897 0.007 32 0 "[ . 1 . 2 . 3 . 4]" 1
265 1 22 ALA HA 1 25 ASP QB 2.730 . 3.760 2.902 2.508 3.347 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
266 1 22 ALA HA 1 26 ILE H 3.170 . 4.630 4.531 4.030 4.683 0.053 23 0 "[ . 1 . 2 . 3 . 4]" 1
267 1 22 ALA MB 1 23 ALA H 2.880 . 4.050 2.083 1.845 2.330 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
268 1 22 ALA MB 2 8 MET ME 4.000 . 6.000 4.019 3.490 4.168 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
269 1 22 ALA MB 2 12 LEU QD 4.000 . 6.000 2.343 1.599 3.708 0.401 6 0 "[ . 1 . 2 . 3 . 4]" 1
270 1 23 ALA H 1 23 ALA HA 2.550 . 3.400 2.822 2.779 2.867 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
271 1 23 ALA H 1 23 ALA MB 2.580 . 3.460 2.053 1.920 2.164 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
272 1 23 ALA H 1 24 PHE H 2.630 . 3.570 2.850 2.628 3.059 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
273 1 23 ALA H 1 25 ASP H 3.130 . 4.560 4.327 4.056 4.575 0.015 39 0 "[ . 1 . 2 . 3 . 4]" 1
274 1 23 ALA HA 1 23 ALA MB 2.420 . 3.140 2.139 2.112 2.156 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
275 1 23 ALA HA 1 24 PHE H 3.030 . 4.360 3.568 3.479 3.597 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
276 1 23 ALA HA 1 26 ILE H 2.820 . 3.940 3.485 3.171 3.772 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
277 1 23 ALA HA 1 26 ILE HB 2.670 . 3.640 2.778 2.392 3.126 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
278 1 23 ALA HA 1 26 ILE MD 2.770 . 3.840 2.537 1.870 3.211 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
279 1 23 ALA HA 1 26 ILE MG 3.470 . 5.240 4.024 3.670 4.368 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
280 1 23 ALA MB 1 24 PHE H 2.830 . 3.960 2.440 2.039 2.902 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
281 1 23 ALA MB 2 7 MET ME 4.000 . 6.000 1.863 1.627 2.386 0.373 36 0 "[ . 1 . 2 . 3 . 4]" 1
282 1 23 ALA MB 2 8 MET ME 4.000 . 6.000 2.750 1.756 3.901 0.244 13 0 "[ . 1 . 2 . 3 . 4]" 1
283 1 23 ALA MB 2 11 LEU QD 4.000 . 6.000 3.650 3.193 3.727 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
284 1 23 ALA MB 2 12 LEU QD 4.000 . 6.000 2.437 1.715 3.710 0.285 22 0 "[ . 1 . 2 . 3 . 4]" 1
285 1 24 PHE H 1 24 PHE HA 2.750 . 3.810 2.822 2.758 2.929 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
286 1 24 PHE H 1 24 PHE QB 2.680 . 3.660 2.152 2.015 2.372 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
287 1 24 PHE H 1 24 PHE QD 3.580 . 5.460 4.054 2.394 4.145 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
288 1 24 PHE H 1 25 ASP H 2.690 . 3.690 2.817 2.456 3.053 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
289 1 24 PHE H 1 26 ILE H 3.500 . 5.300 4.424 3.952 4.998 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
290 1 24 PHE HA 1 24 PHE QD 3.450 . 5.200 2.588 1.962 3.179 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
291 1 24 PHE HA 1 25 ASP H 3.040 . 4.370 3.566 3.527 3.592 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
292 1 24 PHE HA 1 27 PHE H 3.150 . 4.590 3.482 3.175 3.935 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
293 1 24 PHE HA 1 27 PHE QB 2.920 . 4.130 2.325 2.000 3.390 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
294 1 24 PHE HA 1 36 ILE MD 3.550 . 5.400 3.332 2.316 3.886 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
295 1 24 PHE QB 1 25 ASP H 2.790 . 3.880 2.511 2.158 2.739 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
296 1 24 PHE QB 1 74 PHE QD 3.340 . 4.980 3.100 1.976 3.944 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
297 1 24 PHE QD 1 25 ASP H 3.070 . 4.440 3.347 2.401 4.003 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
298 1 24 PHE QD 1 28 VAL MG2 3.850 . 6.000 3.840 2.880 4.335 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
299 1 24 PHE QD 1 36 ILE MD 3.500 . 5.300 2.905 1.936 3.800 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
300 1 25 ASP H 1 25 ASP HA 2.740 . 3.780 2.855 2.775 2.901 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
301 1 25 ASP H 1 25 ASP QB 2.580 . 3.460 2.031 1.923 2.278 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
302 1 25 ASP H 1 26 ILE H 2.590 . 3.480 2.785 2.575 3.039 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
303 1 25 ASP HA 1 26 ILE H 2.990 . 4.280 3.578 3.522 3.594 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
304 1 25 ASP HA 1 28 VAL H 3.090 . 4.480 3.799 3.358 4.176 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
305 1 25 ASP HA 1 28 VAL MG1 3.420 . 5.130 4.057 3.601 4.286 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
306 1 25 ASP HA 1 28 VAL MG2 2.580 . 3.460 2.437 2.079 2.842 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
307 1 25 ASP QB 1 26 ILE H 3.010 . 4.320 2.420 2.081 2.795 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
308 1 26 ILE H 1 26 ILE HA 2.620 . 3.540 2.882 2.779 2.952 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
309 1 26 ILE H 1 26 ILE HB 2.430 . 3.160 2.253 2.133 2.630 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
310 1 26 ILE H 1 26 ILE MD 2.950 . 4.200 2.001 1.783 3.583 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
311 1 26 ILE H 1 26 ILE QG 2.650 . 3.610 2.981 1.879 3.230 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
312 1 26 ILE H 1 27 PHE H 2.520 . 3.350 2.591 2.343 2.959 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
313 1 26 ILE H 1 28 VAL H 3.290 . 4.880 4.217 3.861 4.854 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
314 1 26 ILE HA 1 26 ILE HB 2.670 . 3.630 3.026 3.012 3.034 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
315 1 26 ILE HA 1 26 ILE MD 2.770 . 3.840 3.201 2.996 3.239 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
316 1 26 ILE HA 1 26 ILE QG 2.650 . 3.590 2.170 2.074 2.421 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
317 1 26 ILE HA 1 26 ILE MG 2.470 . 3.240 2.486 2.256 2.598 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
318 1 26 ILE HA 1 27 PHE H 2.990 . 4.280 3.523 3.461 3.580 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
319 1 26 ILE HA 1 29 LEU H 3.080 . 4.460 3.358 2.958 3.972 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
320 1 26 ILE HA 1 29 LEU QB 3.060 . 4.420 2.690 1.846 3.936 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
321 1 26 ILE HA 1 29 LEU MD1 3.380 . 5.060 2.435 1.855 3.727 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
322 1 26 ILE HA 1 29 LEU HG 2.880 . 4.050 3.117 1.846 3.997 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
323 1 26 ILE HB 1 26 ILE MD 2.650 . 3.610 2.099 1.970 2.873 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
324 1 26 ILE HB 1 26 ILE MG 2.430 . 3.160 2.134 2.108 2.151 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
325 1 26 ILE HB 1 27 PHE H 2.730 . 3.750 2.800 2.326 3.066 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
326 1 26 ILE MD 2 7 MET ME 4.000 . 6.000 4.134 3.809 4.189 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
327 1 26 ILE MD 2 11 LEU QD 4.000 . 6.000 3.282 2.555 3.713 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
328 1 26 ILE MD 2 12 LEU QD 4.000 . 6.000 2.004 1.642 3.007 0.358 10 0 "[ . 1 . 2 . 3 . 4]" 1
329 1 26 ILE QG 1 26 ILE MG 2.690 . 3.680 2.050 1.916 2.637 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
330 1 26 ILE MG 1 27 PHE H 2.980 . 4.260 3.408 2.955 3.566 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
331 1 26 ILE MG 1 27 PHE HA 3.060 . 4.420 3.430 3.063 3.704 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
332 1 26 ILE MG 2 7 MET ME 4.000 . 6.000 3.850 3.073 4.144 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
333 1 26 ILE MG 2 11 LEU QD 4.000 . 6.000 1.976 1.609 2.511 0.391 30 0 "[ . 1 . 2 . 3 . 4]" 1
334 1 26 ILE MG 2 11 LEU HG 4.000 . 6.000 4.249 2.947 5.026 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
335 1 27 PHE H 1 27 PHE HA 2.620 . 3.540 2.869 2.822 2.925 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
336 1 27 PHE H 1 27 PHE QB 2.650 . 3.610 2.049 1.938 2.424 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
337 1 27 PHE H 1 28 VAL H 2.640 . 3.580 2.672 2.463 2.971 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
338 1 27 PHE H 1 28 VAL MG2 3.310 . 4.920 3.854 3.306 4.098 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
339 1 27 PHE HA 1 27 PHE QD 3.330 . 4.960 2.241 1.835 2.877 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
340 1 27 PHE HA 1 27 PHE QE 3.700 . 5.700 4.166 3.982 4.437 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
341 1 27 PHE HA 1 28 VAL H 3.210 . 4.720 3.504 3.340 3.599 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
342 1 27 PHE HA 1 29 LEU H 3.400 . 5.090 4.127 3.770 5.079 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
343 1 27 PHE HA 1 41 LEU MD1 3.560 . 5.420 4.381 2.898 4.577 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
344 1 27 PHE HA 1 44 VAL MG2 3.180 . 4.660 2.860 2.237 3.685 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
345 1 27 PHE QB 1 28 VAL H 2.920 . 4.140 2.850 2.215 3.333 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
346 1 27 PHE QB 1 36 ILE MD 3.420 . 5.140 2.085 1.795 2.652 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
347 1 27 PHE QD 1 44 VAL MG1 3.850 . 6.000 3.746 3.195 4.448 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
348 1 27 PHE QD 1 44 VAL MG2 3.850 . 6.000 2.351 1.851 3.157 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
349 1 27 PHE QD 2 11 LEU QD 4.000 . 6.000 3.768 3.222 3.981 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
350 1 27 PHE QE 1 36 ILE MD 3.740 . 5.780 3.905 3.207 4.260 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
351 1 27 PHE QE 1 44 VAL MG2 3.840 . 5.980 2.416 1.814 3.592 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
352 1 27 PHE QE 1 80 MET ME 3.850 . 6.000 2.712 1.910 4.110 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
353 1 28 VAL H 1 28 VAL HA 2.790 . 3.890 2.989 2.914 3.004 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
354 1 28 VAL H 1 28 VAL HB 2.680 . 3.660 3.675 3.542 3.787 0.127 22 0 "[ . 1 . 2 . 3 . 4]" 1
355 1 28 VAL H 1 28 VAL MG1 2.690 . 3.690 2.427 1.918 2.943 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
356 1 28 VAL H 1 28 VAL MG2 2.550 . 3.400 2.033 1.850 2.170 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
357 1 28 VAL H 1 29 LEU H 2.600 . 3.500 2.355 1.927 3.002 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
358 1 28 VAL HA 1 28 VAL HB 2.650 . 3.590 2.438 2.392 2.507 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
359 1 28 VAL HA 1 28 VAL MG1 2.790 . 3.880 2.402 2.273 2.542 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
360 1 28 VAL HA 1 28 VAL MG2 3.050 . 4.400 3.185 3.171 3.200 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
361 1 28 VAL HA 1 29 LEU H 2.980 . 4.260 3.220 2.979 3.570 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
362 1 28 VAL HA 1 31 ALA H 3.270 . 4.830 3.590 2.888 4.620 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
363 1 28 VAL HA 1 31 ALA MB 2.960 . 4.210 2.473 1.999 3.023 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
364 1 28 VAL HA 1 40 GLU QG 2.460 . 3.230 2.838 2.403 2.918 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
365 1 28 VAL HB 1 29 LEU H 3.350 . 5.000 4.377 3.710 4.538 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
366 1 28 VAL HB 1 31 ALA H 3.210 . 4.720 3.682 3.257 3.999 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
367 1 28 VAL HB 1 31 ALA MB 2.950 . 4.200 2.093 1.725 2.672 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
368 1 28 VAL HB 1 34 GLY H 3.810 . 5.910 4.312 3.724 4.979 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
369 1 28 VAL HB 1 34 GLY QA 2.610 . 3.530 2.850 2.087 3.167 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
370 1 28 VAL HB 1 35 CYS H 3.070 . 4.440 3.523 2.996 4.205 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
371 1 28 VAL MG1 1 28 VAL MG2 2.640 . 3.580 1.979 1.841 2.080 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
372 1 28 VAL MG1 1 29 LEU H 3.440 . 5.170 4.063 3.535 4.233 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
373 1 28 VAL MG1 1 31 ALA H 3.850 . 6.000 4.884 4.560 5.024 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
374 1 28 VAL MG1 1 31 ALA MB 3.610 . 5.520 3.152 2.805 3.477 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
375 1 28 VAL MG1 1 35 CYS H 3.480 . 5.250 3.470 2.942 3.949 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
376 1 28 VAL MG1 1 35 CYS HA 2.890 . 4.080 2.980 2.251 3.426 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
377 1 28 VAL MG1 1 36 ILE H 3.310 . 4.920 3.707 3.003 4.081 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
378 1 28 VAL MG1 1 36 ILE HA 3.170 . 4.630 3.086 2.295 3.553 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
379 1 28 VAL MG1 1 36 ILE MD 3.440 . 5.180 2.769 2.229 3.247 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
380 1 28 VAL MG1 1 36 ILE QG 2.770 . 3.830 1.801 1.573 2.113 0.127 9 0 "[ . 1 . 2 . 3 . 4]" 1
381 1 28 VAL MG1 1 36 ILE MG 3.850 . 6.000 3.579 3.153 4.152 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
382 1 28 VAL MG2 1 29 LEU H 3.200 . 4.700 2.871 1.763 3.456 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
383 1 28 VAL MG2 1 29 LEU HA 2.900 . 4.090 3.338 3.120 3.439 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
384 1 28 VAL MG2 1 31 ALA H 3.850 . 6.000 3.937 3.049 4.469 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
385 1 28 VAL MG2 1 31 ALA MB 3.540 . 5.380 3.193 2.470 3.733 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
386 1 28 VAL MG2 1 34 GLY QA 3.030 . 4.360 2.936 2.264 3.242 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
387 1 28 VAL MG2 1 35 CYS H 3.730 . 5.760 4.648 4.001 4.818 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
388 1 29 LEU H 1 29 LEU HA 2.600 . 3.500 2.763 2.365 2.870 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
389 1 29 LEU H 1 29 LEU QB 2.630 . 3.560 2.066 1.924 2.919 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
390 1 29 LEU H 1 29 LEU MD1 3.850 . 6.000 3.872 3.422 4.208 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
391 1 29 LEU H 1 29 LEU MD2 3.840 . 5.980 4.186 3.800 4.876 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
392 1 29 LEU H 1 29 LEU HG 3.050 . 4.400 3.652 2.834 4.157 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
393 1 29 LEU H 1 30 GLY H 3.450 . 5.200 3.893 2.688 4.677 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
394 1 29 LEU HA 1 29 LEU QB 2.670 . 3.650 2.524 2.472 2.549 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
395 1 29 LEU HA 1 29 LEU MD1 3.650 . 5.600 3.601 2.896 3.762 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
396 1 29 LEU HA 1 29 LEU MD2 3.140 . 4.580 2.447 1.845 3.475 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
397 1 29 LEU HA 1 30 GLY H 2.670 . 3.630 2.741 2.241 3.593 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
398 1 29 LEU HA 1 31 ALA H 2.980 . 4.260 3.992 3.709 4.311 0.051 21 0 "[ . 1 . 2 . 3 . 4]" 1
399 1 29 LEU QB 1 29 LEU HG 2.650 . 3.600 2.421 2.318 2.545 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
400 1 29 LEU QB 1 30 GLY H 3.640 . 5.580 3.409 1.787 3.998 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
401 1 29 LEU MD2 1 30 GLY H 3.850 . 6.000 3.431 1.897 4.652 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
402 1 30 GLY H 1 30 GLY QA 2.620 . 3.540 2.371 2.238 2.448 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
403 1 30 GLY H 1 31 ALA H 2.960 . 4.210 2.453 1.968 3.542 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
404 1 30 GLY QA 1 31 ALA H 2.620 . 3.540 2.857 2.618 2.939 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
405 1 31 ALA H 1 31 ALA HA 2.570 . 3.440 2.878 2.764 3.002 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
406 1 31 ALA H 1 31 ALA MB 2.490 . 3.280 2.071 1.907 2.356 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
407 1 31 ALA HA 1 31 ALA MB 2.420 . 3.150 2.138 2.114 2.156 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
408 1 31 ALA HA 1 32 GLU H 2.460 . 3.210 2.450 2.208 3.074 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
409 1 31 ALA HA 1 33 ASP H 3.480 . 5.250 4.340 3.573 5.189 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
410 1 31 ALA MB 1 32 GLU H 3.100 . 4.500 2.702 1.908 3.536 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
411 1 31 ALA MB 1 33 ASP H 3.160 . 4.620 3.134 2.335 3.809 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
412 1 31 ALA MB 1 34 GLY H 3.060 . 4.410 2.594 2.032 3.350 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
413 1 31 ALA MB 1 34 GLY QA 3.140 . 4.580 2.805 2.117 3.397 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
414 1 31 ALA MB 1 35 CYS H 2.760 . 3.820 2.412 1.809 3.186 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
415 1 31 ALA MB 1 40 GLU QG 3.060 . 4.420 2.543 1.851 3.272 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
416 1 32 GLU H 1 32 GLU QB 3.240 . 4.780 2.306 1.926 2.961 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
417 1 32 GLU H 1 32 GLU QG 3.260 . 4.820 3.296 1.883 4.175 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
418 1 32 GLU H 1 33 ASP H 2.970 . 4.240 2.380 1.896 3.919 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
419 1 32 GLU HA 1 32 GLU QG 3.050 . 4.400 2.370 1.929 3.343 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
420 1 32 GLU HA 1 33 ASP H 2.880 . 4.050 3.511 3.224 3.594 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
421 1 32 GLU QB 1 33 ASP H 3.370 . 5.040 2.731 1.882 3.859 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
422 1 32 GLU QG 1 33 ASP H 3.850 . 6.000 3.924 1.900 4.850 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
423 1 33 ASP H 1 33 ASP HA 2.610 . 3.530 2.970 2.888 3.004 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
424 1 33 ASP H 1 33 ASP QB 3.160 . 4.620 2.260 1.938 2.959 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
425 1 33 ASP H 1 34 GLY H 2.770 . 3.850 2.432 1.868 3.311 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
426 1 33 ASP H 1 35 CYS H 3.160 . 4.620 3.593 2.813 4.529 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
427 1 33 ASP HA 1 33 ASP QB 2.670 . 3.630 2.483 2.200 2.550 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
428 1 33 ASP HA 1 34 GLY H 2.950 . 4.200 3.362 2.712 3.592 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
429 1 33 ASP QB 1 35 CYS H 3.230 . 4.760 3.494 2.669 4.219 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
430 1 34 GLY H 1 34 GLY QA 2.480 . 3.250 2.350 2.234 2.536 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
431 1 34 GLY H 1 35 CYS H 2.850 . 4.000 2.310 1.868 3.016 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
432 1 34 GLY QA 1 35 CYS H 2.600 . 3.500 2.765 2.553 2.926 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
433 1 35 CYS H 1 35 CYS HA 2.600 . 3.500 2.996 2.955 3.003 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
434 1 35 CYS H 1 35 CYS QB 2.730 . 3.750 2.613 2.064 3.124 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
435 1 35 CYS HA 1 36 ILE H 2.410 . 3.120 2.600 2.243 2.866 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
436 1 35 CYS HA 1 73 ASP HA 2.920 . 4.130 3.048 2.437 3.593 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
437 1 35 CYS QB 1 36 ILE H 2.690 . 3.690 2.311 1.880 3.155 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
438 1 35 CYS QB 1 71 THR HB 2.770 . 3.830 2.305 1.807 3.048 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
439 1 35 CYS QB 1 71 THR MG 3.480 . 5.260 3.252 2.678 3.786 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
440 1 35 CYS QB 1 72 VAL H 2.780 . 3.860 3.347 2.993 3.463 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
441 1 36 ILE H 1 36 ILE HA 2.730 . 3.750 2.996 2.919 3.006 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
442 1 36 ILE H 1 36 ILE HB 2.520 . 3.340 2.539 2.267 2.744 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
443 1 36 ILE H 1 36 ILE MD 3.430 . 5.160 3.558 3.026 4.039 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
444 1 36 ILE H 1 36 ILE QG 2.650 . 3.590 2.632 2.047 3.103 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
445 1 36 ILE H 1 36 ILE MG 3.450 . 5.200 3.811 3.671 3.903 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
446 1 36 ILE H 1 71 THR HB 3.320 . 4.940 3.006 2.070 4.737 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
447 1 36 ILE H 1 72 VAL H 2.710 . 3.730 2.181 1.893 2.964 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
448 1 36 ILE H 1 72 VAL HB 2.770 . 3.830 3.360 2.815 3.779 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
449 1 36 ILE H 1 73 ASP HA 3.170 . 4.640 4.252 3.385 4.652 0.012 6 0 "[ . 1 . 2 . 3 . 4]" 1
450 1 36 ILE HA 1 36 ILE HB 2.750 . 3.790 3.034 3.024 3.040 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
451 1 36 ILE HA 1 36 ILE MD 3.480 . 5.250 3.848 3.761 3.913 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
452 1 36 ILE HA 1 36 ILE QG 2.640 . 3.580 2.442 2.298 2.550 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
453 1 36 ILE HA 1 36 ILE MG 2.630 . 3.560 2.310 2.152 2.542 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
454 1 36 ILE HA 1 37 SER H 2.600 . 3.500 2.321 2.207 2.444 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
455 1 36 ILE HA 1 40 GLU H 3.150 . 4.600 4.359 4.065 4.615 0.015 20 0 "[ . 1 . 2 . 3 . 4]" 1
456 1 36 ILE HA 1 40 GLU QB 3.290 . 4.880 2.775 1.937 3.571 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
457 1 36 ILE HA 1 40 GLU QG 2.730 . 3.750 3.341 2.904 3.398 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
458 1 36 ILE HB 1 36 ILE MD 2.870 . 4.040 2.204 1.978 2.460 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
459 1 36 ILE HB 1 72 VAL H 2.610 . 3.520 2.579 1.960 3.358 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
460 1 36 ILE HB 1 72 VAL HB 2.270 . 2.840 1.887 1.836 2.039 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
461 1 36 ILE HB 1 72 VAL MG1 3.430 . 5.160 3.341 2.750 3.637 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
462 1 36 ILE HB 1 72 VAL MG2 3.250 . 4.790 3.305 2.633 3.515 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
463 1 36 ILE MD 1 36 ILE MG 2.690 . 3.670 2.187 1.637 2.551 0.063 12 0 "[ . 1 . 2 . 3 . 4]" 1
464 1 36 ILE MD 1 72 VAL HB 2.960 . 4.210 2.356 1.793 3.365 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
465 1 36 ILE MD 1 72 VAL MG1 3.250 . 4.800 2.147 1.811 2.809 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
466 1 36 ILE MD 1 77 PHE QD 3.080 . 4.460 2.777 1.800 3.312 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
467 1 36 ILE MD 1 77 PHE QE 3.850 . 6.000 3.648 1.951 4.447 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
468 1 36 ILE MD 1 80 MET ME 3.850 . 6.000 3.913 3.483 4.168 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
469 1 36 ILE QG 1 36 ILE MG 2.690 . 3.670 2.158 2.004 2.354 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
470 1 36 ILE MG 1 37 SER H 3.310 . 4.920 2.085 1.827 3.303 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
471 1 36 ILE MG 1 40 GLU H 3.040 . 4.380 3.612 3.249 3.728 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
472 1 36 ILE MG 1 40 GLU QB 3.330 . 4.960 2.621 1.991 3.097 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
473 1 36 ILE MG 1 41 LEU H 2.840 . 3.980 2.789 2.335 3.335 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
474 1 36 ILE MG 1 72 VAL HB 2.780 . 3.860 3.198 2.990 3.283 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
475 1 36 ILE MG 1 72 VAL MG1 3.850 . 6.000 3.947 3.664 4.125 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
476 1 37 SER H 1 37 SER QB 3.410 . 5.120 2.626 2.121 3.082 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
477 1 37 SER H 1 40 GLU H 3.450 . 5.200 2.935 2.627 3.762 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
478 1 37 SER H 1 40 GLU QB 3.850 . 6.000 2.890 1.850 4.256 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
479 1 37 SER HA 1 61 ILE MD 3.150 . 4.590 3.649 2.231 3.839 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
480 1 37 SER HA 1 71 THR MG 2.950 . 4.200 3.132 2.472 3.506 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
481 1 37 SER QB 1 38 THR H 2.840 . 3.980 3.670 2.655 3.778 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
482 1 37 SER QB 1 39 LYS H 3.310 . 4.910 3.055 2.231 4.112 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
483 1 37 SER QB 1 71 THR MG 3.100 . 4.500 2.924 1.822 3.342 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
484 1 38 THR H 1 38 THR HA 2.760 . 3.820 2.403 2.361 2.947 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
485 1 38 THR H 1 38 THR HB 3.080 . 4.460 3.992 3.547 4.052 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
486 1 38 THR H 1 38 THR MG 2.710 . 3.730 2.502 1.987 3.101 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
487 1 38 THR H 1 39 LYS H 2.810 . 3.930 3.439 1.871 3.730 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
488 1 38 THR H 1 61 ILE MD 3.720 . 5.740 2.810 2.041 4.567 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
489 1 38 THR HA 1 38 THR HB 2.660 . 3.620 2.338 2.322 2.511 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
490 1 38 THR HA 1 38 THR MG 2.810 . 3.930 2.577 2.268 2.623 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
491 1 38 THR HA 1 39 LYS H 3.170 . 4.640 3.593 3.508 3.610 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
492 1 38 THR HA 1 40 GLU H 3.060 . 4.420 4.119 3.865 4.425 0.005 5 0 "[ . 1 . 2 . 3 . 4]" 1
493 1 38 THR HA 1 41 LEU H 3.000 . 4.300 3.007 2.661 3.548 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
494 1 38 THR HA 1 41 LEU QB 2.870 . 4.040 1.989 1.729 2.566 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
495 1 38 THR HA 1 41 LEU MD1 3.200 . 4.700 3.950 3.863 4.003 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
496 1 38 THR HA 1 57 LEU MD1 3.370 . 5.040 2.832 2.124 3.446 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
497 1 38 THR HA 1 57 LEU MD2 3.350 . 5.000 2.335 1.813 3.181 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
498 1 38 THR HA 1 61 ILE MD 3.170 . 4.640 3.066 2.604 3.502 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
499 1 38 THR HB 1 39 LYS H 3.230 . 4.750 3.751 3.528 3.961 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
500 1 38 THR HB 1 57 LEU MD1 3.440 . 5.180 1.881 1.783 2.354 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
501 1 38 THR HB 1 61 ILE MD 3.450 . 5.200 3.803 3.338 4.362 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
502 1 38 THR MG 1 57 LEU MD1 3.200 . 4.700 3.213 1.965 3.337 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
503 1 38 THR MG 1 57 LEU MD2 3.850 . 6.000 2.997 2.461 3.643 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
504 1 38 THR MG 1 58 GLN H 2.920 . 4.140 2.997 2.416 3.453 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
505 1 38 THR MG 1 58 GLN HA 3.420 . 5.140 2.489 1.928 2.967 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
506 1 38 THR MG 1 58 GLN QB 3.350 . 5.000 3.460 2.522 3.723 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
507 1 38 THR MG 1 58 GLN QG 3.120 . 4.540 2.842 1.826 3.393 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
508 1 38 THR MG 1 61 ILE MD 2.920 . 4.140 1.939 1.686 2.465 0.014 31 0 "[ . 1 . 2 . 3 . 4]" 1
509 1 38 THR MG 1 61 ILE QG 3.060 . 4.420 2.929 1.794 3.280 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
510 1 39 LYS H 1 39 LYS HA 2.830 . 3.950 2.804 2.765 2.909 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
511 1 39 LYS H 1 39 LYS QB 2.790 . 3.880 2.131 1.934 2.546 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
512 1 39 LYS H 1 39 LYS QG 3.130 . 4.560 3.130 1.861 4.006 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
513 1 39 LYS H 1 40 GLU H 2.650 . 3.590 2.799 2.513 2.920 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
514 1 39 LYS HA 1 39 LYS QD 3.850 . 6.000 3.413 1.972 4.295 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
515 1 39 LYS HA 1 39 LYS QG 3.180 . 4.660 2.267 1.937 3.304 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
516 1 39 LYS HA 1 40 GLU H 2.750 . 3.800 3.545 3.508 3.578 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
517 1 39 LYS QB 1 40 GLU H 3.230 . 4.760 2.648 2.299 3.434 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
518 1 40 GLU H 1 40 GLU HA 2.860 . 4.020 2.965 2.940 2.975 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
519 1 40 GLU H 1 40 GLU QB 3.400 . 5.090 2.460 2.213 2.568 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
520 1 40 GLU H 1 40 GLU QG 2.520 . 3.340 2.277 1.840 2.995 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
521 1 40 GLU H 1 41 LEU H 2.600 . 3.500 2.228 2.157 2.355 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
522 1 40 GLU HA 1 40 GLU QG 2.560 . 3.430 2.768 2.207 3.083 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
523 1 40 GLU HA 1 41 LEU H 2.980 . 4.260 3.512 3.446 3.571 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
524 1 40 GLU HA 1 43 LYS QD 3.850 . 6.000 3.672 1.991 5.153 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
525 1 40 GLU QB 1 41 LEU H 3.640 . 5.580 2.669 2.247 2.958 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
526 1 41 LEU H 1 41 LEU HA 2.750 . 3.810 2.904 2.829 2.933 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
527 1 41 LEU H 1 41 LEU QB 2.750 . 3.790 2.060 1.896 2.170 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
528 1 41 LEU H 1 42 GLY H 2.850 . 4.000 2.765 2.516 4.125 0.125 11 0 "[ . 1 . 2 . 3 . 4]" 1
529 1 41 LEU H 1 43 LYS H 3.520 . 5.340 3.942 3.672 4.976 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
530 1 41 LEU HA 1 41 LEU MD1 2.400 . 3.090 2.292 1.887 2.582 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
531 1 41 LEU HA 1 41 LEU MD2 3.850 . 6.000 2.923 1.813 4.041 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
532 1 41 LEU HA 1 42 GLY H 2.980 . 4.260 3.574 3.011 3.598 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
533 1 41 LEU HA 1 44 VAL H 2.910 . 4.120 3.683 3.254 3.905 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
534 1 41 LEU HA 1 44 VAL MG2 3.140 . 4.580 3.419 2.791 3.842 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
535 1 41 LEU QB 1 41 LEU MD1 2.650 . 3.610 2.294 2.143 2.408 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
536 1 41 LEU QB 1 42 GLY H 3.170 . 4.630 2.288 1.861 2.932 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
537 1 41 LEU QB 1 57 LEU MD2 3.080 . 4.460 2.652 1.905 3.319 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
538 1 41 LEU QB 1 61 ILE MD 3.310 . 4.920 3.157 2.146 3.648 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
539 1 41 LEU MD1 1 41 LEU HG 2.440 . 3.180 2.132 2.104 2.150 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
540 1 41 LEU MD1 1 44 VAL HB 2.670 . 3.640 2.908 2.563 3.057 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
541 1 41 LEU MD1 1 45 MET QG 3.500 . 5.300 3.253 2.054 3.969 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
542 1 41 LEU MD2 1 41 LEU HG 2.440 . 3.190 2.131 2.109 2.153 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
543 1 41 LEU MD2 1 60 MET QB 3.560 . 5.410 3.302 1.813 4.034 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
544 1 42 GLY H 1 42 GLY QA 2.360 . 3.020 2.236 2.230 2.246 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
545 1 42 GLY H 1 43 LYS H 2.730 . 3.750 2.882 2.648 3.752 0.002 11 0 "[ . 1 . 2 . 3 . 4]" 1
546 1 42 GLY H 1 57 LEU MD1 3.620 . 5.540 2.731 2.131 3.989 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
547 1 42 GLY H 1 57 LEU MD2 3.230 . 4.760 2.720 2.252 3.185 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
548 1 42 GLY QA 1 43 LYS H 2.600 . 3.500 2.785 2.536 2.880 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
549 1 42 GLY QA 1 45 MET H 2.500 . 3.310 2.947 2.811 3.017 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
550 1 42 GLY QA 1 57 LEU MD1 3.150 . 4.590 2.380 1.813 3.430 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
551 1 42 GLY QA 1 57 LEU MD2 2.700 . 3.700 2.696 2.365 2.817 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
552 1 43 LYS H 1 43 LYS HA 2.750 . 3.790 2.801 2.762 2.871 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
553 1 43 LYS H 1 43 LYS QB 3.120 . 4.540 2.045 1.923 2.539 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
554 1 43 LYS H 1 43 LYS QG 2.850 . 4.000 3.027 1.863 3.640 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
555 1 43 LYS H 1 44 VAL H 2.660 . 3.620 2.830 2.630 2.999 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
556 1 43 LYS HA 1 43 LYS QG 2.460 . 3.210 2.183 1.921 2.874 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
557 1 43 LYS HA 1 44 VAL H 3.160 . 4.620 3.540 3.493 3.588 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
558 1 43 LYS HA 1 46 ARG H 3.140 . 4.580 4.167 3.809 4.598 0.018 16 0 "[ . 1 . 2 . 3 . 4]" 1
559 1 43 LYS HA 1 47 MET H 3.570 . 5.440 5.208 4.739 5.470 0.030 16 0 "[ . 1 . 2 . 3 . 4]" 1
560 1 43 LYS QB 1 43 LYS QG 2.330 . 2.970 2.070 2.018 2.107 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
561 1 43 LYS QB 1 44 VAL H 3.540 . 5.370 2.754 2.512 3.056 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
562 1 43 LYS QD 1 43 LYS QG 2.120 . 2.540 2.050 2.005 2.098 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
563 1 43 LYS QE 1 43 LYS QG 2.690 . 3.680 2.181 1.927 2.753 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
564 1 44 VAL H 1 44 VAL HA 2.610 . 3.520 2.926 2.884 2.947 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
565 1 44 VAL H 1 44 VAL HB 2.420 . 3.130 2.207 2.095 2.373 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
566 1 44 VAL H 1 44 VAL MG1 3.040 . 4.380 3.653 3.569 3.707 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
567 1 44 VAL H 1 45 MET H 2.560 . 3.420 2.450 2.342 2.648 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
568 1 44 VAL H 1 46 ARG H 3.400 . 5.090 4.490 3.965 4.912 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
569 1 44 VAL HA 1 44 VAL HB 2.660 . 3.620 3.024 3.003 3.034 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
570 1 44 VAL HA 1 44 VAL MG1 2.580 . 3.460 2.473 2.349 2.655 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
571 1 44 VAL HA 1 44 VAL MG2 2.560 . 3.420 2.188 2.027 2.426 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
572 1 44 VAL HA 1 45 MET H 2.900 . 4.100 3.539 3.473 3.576 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
573 1 44 VAL HA 1 47 MET H 2.810 . 3.910 3.257 2.875 3.547 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
574 1 44 VAL HA 1 47 MET QB 3.150 . 4.600 2.304 1.839 2.858 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
575 1 44 VAL HA 1 47 MET ME 3.280 . 4.860 2.571 1.735 3.905 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
576 1 44 VAL HA 1 47 MET QG 3.230 . 4.760 3.558 1.846 4.233 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
577 1 44 VAL HB 1 44 VAL MG1 2.440 . 3.170 2.121 2.106 2.150 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
578 1 44 VAL HB 1 44 VAL MG2 2.440 . 3.190 2.126 2.110 2.153 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
579 1 44 VAL HB 1 45 MET H 2.840 . 3.980 2.760 2.512 3.067 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
580 1 44 VAL MG1 1 45 MET H 3.270 . 4.840 3.351 2.831 3.779 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
581 1 44 VAL MG1 1 45 MET HA 3.560 . 5.420 3.469 2.999 3.911 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
582 1 44 VAL MG1 1 47 MET ME 3.850 . 6.000 3.164 2.379 4.183 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
583 1 44 VAL MG1 2 7 MET ME 4.000 . 6.000 2.462 1.806 3.906 0.194 37 0 "[ . 1 . 2 . 3 . 4]" 1
584 1 44 VAL MG1 2 10 ALA MB 4.000 . 6.000 4.137 3.711 4.226 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
585 1 44 VAL MG2 1 47 MET ME 3.850 . 6.000 2.659 1.822 3.805 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
586 1 44 VAL MG2 2 11 LEU QD 4.000 . 6.000 2.016 1.526 2.935 0.474 26 0 "[ . 1 . 2 . 3 . 4]" 1
587 1 44 VAL MG2 2 12 LEU QD 4.000 . 6.000 3.670 3.434 3.761 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
588 1 45 MET H 1 45 MET HA 2.810 . 3.920 2.805 2.740 2.896 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
589 1 45 MET H 1 45 MET QB 2.690 . 3.690 2.256 2.028 2.557 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
590 1 45 MET H 1 45 MET ME 3.850 . 6.000 2.422 1.871 3.397 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
591 1 45 MET H 1 45 MET QG 2.800 . 3.900 2.675 1.833 3.492 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
592 1 45 MET H 1 46 ARG H 2.710 . 3.730 2.962 2.583 3.350 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
593 1 45 MET HA 1 45 MET QG 3.330 . 4.950 2.602 2.144 3.022 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
594 1 45 MET HA 1 46 ARG H 3.310 . 4.920 3.579 3.523 3.601 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
595 1 45 MET HA 1 47 MET H 3.400 . 5.100 4.106 3.806 4.686 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
596 1 45 MET HA 1 48 LEU H 3.080 . 4.460 3.397 2.991 3.917 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
597 1 45 MET HA 1 48 LEU MD1 3.500 . 5.300 2.810 1.826 4.437 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
598 1 45 MET ME 1 45 MET QG 3.270 . 4.840 2.031 1.947 2.188 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
599 1 45 MET ME 1 52 PRO QD 3.650 . 5.600 4.134 3.982 4.204 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
600 1 45 MET ME 2 2 ILE MD 4.000 . 6.000 2.945 1.812 4.151 0.188 7 0 "[ . 1 . 2 . 3 . 4]" 1
601 1 45 MET ME 2 2 ILE MG 4.000 . 6.000 3.698 2.487 4.164 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
602 1 45 MET ME 2 11 LEU QD 4.000 . 6.000 3.714 3.584 3.749 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
603 1 45 MET QG 1 57 LEU MD2 3.410 . 5.120 3.228 2.345 3.789 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
604 1 46 ARG H 1 46 ARG HA 2.850 . 4.000 2.852 2.772 2.949 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
605 1 46 ARG H 1 46 ARG QB 2.610 . 3.520 2.248 1.940 2.553 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
606 1 46 ARG H 1 46 ARG QG 2.780 . 3.860 2.417 1.837 3.473 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
607 1 46 ARG H 1 47 MET H 2.750 . 3.810 2.666 2.360 2.895 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
608 1 46 ARG HA 1 46 ARG QB 2.670 . 3.640 2.330 2.198 2.551 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
609 1 46 ARG HA 1 46 ARG QG 2.790 . 3.870 2.808 1.936 3.404 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
610 1 46 ARG HA 1 47 MET H 2.980 . 4.260 3.506 3.450 3.582 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
611 1 46 ARG HA 1 48 LEU H 3.100 . 4.500 4.400 4.112 4.547 0.047 39 0 "[ . 1 . 2 . 3 . 4]" 1
612 1 46 ARG HA 1 49 GLY H 2.970 . 4.240 3.742 3.238 4.247 0.007 35 0 "[ . 1 . 2 . 3 . 4]" 1
613 1 46 ARG HA 1 50 GLN H 2.540 . 3.370 3.211 2.822 3.408 0.038 5 0 "[ . 1 . 2 . 3 . 4]" 1
614 1 46 ARG QB 1 46 ARG QD 2.910 . 4.120 2.128 1.911 2.411 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
615 1 47 MET H 1 47 MET HA 2.620 . 3.540 2.925 2.855 2.948 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
616 1 47 MET H 1 47 MET QB 2.900 . 4.090 2.073 1.918 2.433 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
617 1 47 MET H 1 47 MET ME 3.850 . 6.000 4.100 3.195 4.873 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
618 1 47 MET H 1 47 MET QG 2.910 . 4.120 3.007 2.068 3.766 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
619 1 47 MET H 1 48 LEU H 2.560 . 3.430 2.451 2.330 2.676 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
620 1 47 MET HA 1 47 MET ME 3.370 . 5.040 4.142 3.837 4.250 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
621 1 47 MET HA 1 47 MET QG 2.930 . 4.160 2.168 1.911 3.226 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
622 1 47 MET HA 1 48 LEU H 2.970 . 4.240 3.544 3.503 3.575 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
623 1 47 MET QB 1 48 LEU H 3.270 . 4.830 2.735 2.517 3.341 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
624 1 47 MET ME 2 11 LEU QD 4.000 . 6.000 1.802 1.590 2.550 0.410 23 0 "[ . 1 . 2 . 3 . 4]" 1
625 1 47 MET ME 2 12 LEU QD 4.000 . 6.000 3.631 3.063 3.737 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
626 1 48 LEU H 1 48 LEU HA 2.810 . 3.920 2.901 2.820 2.959 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
627 1 48 LEU H 1 48 LEU MD1 3.500 . 5.300 3.466 2.179 4.211 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
628 1 48 LEU H 1 48 LEU QD 3.080 . 4.460 2.870 2.168 3.265 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
629 1 48 LEU H 1 48 LEU MD2 3.850 . 6.000 3.267 2.533 3.905 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
630 1 48 LEU H 1 48 LEU HG 2.840 . 3.980 2.377 1.857 4.009 0.029 17 0 "[ . 1 . 2 . 3 . 4]" 1
631 1 48 LEU H 1 49 GLY H 2.650 . 3.610 2.596 2.386 3.039 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
632 1 48 LEU HA 1 48 LEU MD1 3.650 . 5.590 3.626 2.217 3.961 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
633 1 48 LEU HA 1 48 LEU MD2 2.890 . 4.080 2.019 1.798 3.044 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
634 1 48 LEU HA 1 48 LEU HG 3.090 . 4.480 3.019 2.480 3.517 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
635 1 48 LEU HA 1 49 GLY H 3.130 . 4.560 3.425 3.072 3.587 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
636 1 48 LEU MD1 1 48 LEU HG 2.420 . 3.130 2.134 2.109 2.152 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
637 1 48 LEU MD1 2 6 ALA MB 4.000 . 6.000 3.876 2.072 4.185 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
638 1 48 LEU MD1 2 7 MET ME 4.000 . 6.000 3.536 2.287 4.159 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
639 1 48 LEU MD1 2 11 LEU QD 4.000 . 6.000 2.878 1.763 3.733 0.237 16 0 "[ . 1 . 2 . 3 . 4]" 1
640 1 48 LEU MD2 2 6 ALA MB 4.000 . 6.000 3.495 1.768 4.167 0.232 36 0 "[ . 1 . 2 . 3 . 4]" 1
641 1 48 LEU MD2 2 8 MET ME 4.000 . 6.000 4.158 4.088 4.218 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
642 1 48 LEU MD2 2 12 LEU QD 4.000 . 6.000 3.714 3.634 3.801 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
643 1 49 GLY H 1 49 GLY QA 2.360 . 3.020 2.355 2.244 2.512 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
644 1 49 GLY H 1 50 GLN H 2.580 . 3.460 2.089 1.835 2.853 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
645 1 49 GLY QA 1 50 GLN H 2.620 . 3.540 2.847 2.599 2.936 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
646 1 50 GLN H 1 50 GLN HA 2.580 . 3.470 2.980 2.963 3.002 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
647 1 50 GLN H 1 50 GLN QB 2.540 . 3.380 2.559 2.350 2.816 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
648 1 50 GLN H 1 50 GLN QG 3.310 . 4.910 3.772 2.568 4.216 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
649 1 50 GLN HA 1 50 GLN HE21 3.670 . 5.640 4.398 2.959 5.137 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
650 1 50 GLN HA 1 50 GLN QG 3.380 . 5.050 2.132 1.912 2.867 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
651 1 50 GLN HA 1 51 ASN H 2.520 . 3.330 2.653 2.259 3.098 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
652 1 50 GLN QB 1 51 ASN H 2.870 . 4.040 2.406 1.858 3.616 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
653 1 50 GLN QB 1 52 PRO QD 3.040 . 4.380 2.920 2.335 3.481 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
654 1 50 GLN HE22 1 50 GLN QG 3.250 . 4.790 3.337 3.271 3.527 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
655 1 51 ASN H 1 51 ASN HA 2.630 . 3.570 2.900 2.678 3.000 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
656 1 51 ASN H 1 51 ASN QB 2.710 . 3.730 2.962 2.480 3.346 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
657 1 51 ASN H 1 52 PRO QD 2.790 . 3.880 2.958 2.478 3.507 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
658 1 51 ASN HA 1 51 ASN QB 2.670 . 3.650 2.360 2.195 2.551 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
659 1 51 ASN HA 1 51 ASN HD22 3.850 . 6.000 4.435 3.213 5.399 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
660 1 51 ASN HA 1 52 PRO QD 2.540 . 3.380 2.007 1.903 2.189 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
661 1 51 ASN QB 1 51 ASN HD22 3.080 . 4.460 3.333 3.272 3.503 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
662 1 52 PRO QB 1 53 THR H 2.870 . 4.040 2.694 1.881 3.424 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
663 1 53 THR H 1 53 THR HA 2.810 . 3.920 2.901 2.808 3.001 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
664 1 53 THR H 1 53 THR MG 2.600 . 3.500 2.697 1.990 2.931 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
665 1 53 THR H 1 54 PRO QD 3.620 . 5.540 4.354 4.304 4.402 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
666 1 53 THR H 1 56 GLU H 2.950 . 4.200 4.086 3.769 4.220 0.020 37 0 "[ . 1 . 2 . 3 . 4]" 1
667 1 53 THR H 1 56 GLU QB 2.730 . 3.770 2.998 2.498 3.364 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
668 1 53 THR HA 1 53 THR HB 2.650 . 3.600 2.645 2.392 2.790 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
669 1 53 THR HA 1 53 THR MG 2.980 . 4.260 2.151 1.937 2.459 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
670 1 53 THR HA 1 54 PRO QD 2.770 . 3.850 2.187 2.037 2.295 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
671 1 53 THR HA 1 55 GLU H 3.420 . 5.140 4.200 3.827 4.597 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
672 1 53 THR HB 1 54 PRO QD 2.870 . 4.040 1.912 1.835 2.350 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
673 1 53 THR HB 1 55 GLU H 2.740 . 3.780 2.473 2.143 3.114 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
674 1 53 THR HB 1 56 GLU H 3.600 . 5.500 3.263 2.705 3.979 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
675 1 53 THR MG 1 54 PRO QD 3.750 . 5.800 2.556 1.908 3.371 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
676 1 53 THR MG 1 55 GLU H 3.850 . 6.000 4.058 3.781 4.608 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
677 1 53 THR MG 1 56 GLU H 3.830 . 5.960 4.447 4.235 4.675 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
678 1 54 PRO HA 1 54 PRO QD 3.370 . 5.040 3.406 3.362 3.448 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
679 1 54 PRO HA 1 54 PRO QG 3.070 . 4.440 3.512 3.503 3.519 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
680 1 54 PRO HA 1 55 GLU H 3.160 . 4.620 3.509 3.434 3.585 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
681 1 54 PRO HA 1 57 LEU H 3.170 . 4.630 3.441 3.124 3.947 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
682 1 54 PRO HA 1 57 LEU MD1 3.310 . 4.920 2.548 1.769 3.282 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
683 1 54 PRO HA 1 58 GLN H 3.250 . 4.800 4.550 4.002 4.813 0.013 26 0 "[ . 1 . 2 . 3 . 4]" 1
684 1 54 PRO QB 1 55 GLU H 3.090 . 4.480 3.307 2.944 3.541 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
685 1 54 PRO QD 1 55 GLU H 3.270 . 4.840 2.533 2.380 2.670 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
686 1 55 GLU H 1 55 GLU HA 2.680 . 3.660 2.906 2.825 2.940 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
687 1 55 GLU H 1 55 GLU QB 2.810 . 3.910 2.153 1.925 2.543 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
688 1 55 GLU H 1 55 GLU QG 3.210 . 4.720 3.097 1.834 4.026 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
689 1 55 GLU H 1 56 GLU H 2.770 . 3.850 2.535 2.391 2.772 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
690 1 55 GLU HA 1 55 GLU QG 2.930 . 4.160 2.392 2.008 3.307 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
691 1 55 GLU HA 1 58 GLN QB 3.290 . 4.870 3.866 2.322 4.339 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
692 1 56 GLU H 1 56 GLU QB 2.830 . 3.960 2.112 1.949 2.297 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
693 1 56 GLU H 1 57 LEU H 2.820 . 3.940 2.422 2.291 2.680 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
694 1 56 GLU QB 1 57 LEU H 2.820 . 3.940 2.835 2.360 3.232 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
695 1 57 LEU H 1 57 LEU HA 2.790 . 3.870 2.822 2.750 2.936 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
696 1 57 LEU H 1 57 LEU QB 2.790 . 3.870 1.969 1.912 2.124 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
697 1 57 LEU H 1 57 LEU MD1 3.520 . 5.330 3.830 1.843 4.095 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
698 1 57 LEU H 1 57 LEU MD2 3.430 . 5.160 3.958 3.684 4.170 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
699 1 57 LEU H 1 57 LEU HG 2.580 . 3.460 3.230 2.640 3.643 0.183 5 0 "[ . 1 . 2 . 3 . 4]" 1
700 1 57 LEU H 1 58 GLN H 2.730 . 3.760 2.968 2.608 3.241 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
701 1 57 LEU HA 1 57 LEU MD1 3.850 . 6.000 3.684 3.290 3.772 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
702 1 57 LEU HA 1 57 LEU MD2 2.670 . 3.650 1.933 1.804 3.087 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
703 1 57 LEU HA 1 58 GLN H 3.460 . 5.220 3.580 3.369 3.594 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
704 1 57 LEU HA 1 60 MET H 3.230 . 4.760 3.587 3.244 3.880 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
705 1 57 LEU QB 1 57 LEU MD2 2.990 . 4.280 2.297 2.100 2.387 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
706 1 57 LEU MD1 1 58 GLN H 3.610 . 5.520 4.200 1.846 4.601 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
707 1 57 LEU MD2 1 60 MET QB 2.930 . 4.160 3.046 2.705 3.132 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
708 1 57 LEU MD2 1 60 MET ME 3.820 . 5.940 3.043 1.843 4.130 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
709 1 58 GLN H 1 58 GLN HA 2.710 . 3.730 2.784 2.736 2.865 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
710 1 58 GLN H 1 58 GLN QB 2.750 . 3.810 1.978 1.927 2.171 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
711 1 58 GLN H 1 58 GLN QG 2.950 . 4.200 3.430 2.640 3.818 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
712 1 58 GLN H 1 59 GLU H 2.730 . 3.760 2.869 2.642 3.051 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
713 1 58 GLN H 1 59 GLU QB 3.850 . 6.000 4.484 4.192 4.934 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
714 1 58 GLN HA 1 58 GLN HE21 3.360 . 5.020 3.303 2.150 4.239 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
715 1 58 GLN HA 1 58 GLN HE22 3.310 . 4.920 4.259 3.503 4.889 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
716 1 58 GLN HA 1 58 GLN QG 3.250 . 4.790 2.120 1.905 2.467 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
717 1 58 GLN HA 1 59 GLU H 3.120 . 4.540 3.541 3.480 3.588 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
718 1 58 GLN HA 1 61 ILE H 3.160 . 4.620 3.334 2.996 3.683 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
719 1 58 GLN HA 1 61 ILE HB 2.760 . 3.820 2.746 2.318 3.042 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
720 1 58 GLN HA 1 61 ILE MD 3.630 . 5.560 2.453 1.845 4.140 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
721 1 58 GLN HA 1 61 ILE MG 3.310 . 4.920 4.002 3.662 4.120 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
722 1 58 GLN HA 1 62 ASP H 3.320 . 4.940 4.133 3.700 4.587 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
723 1 58 GLN QB 1 59 GLU H 3.290 . 4.870 2.719 2.240 2.923 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
724 1 58 GLN HE21 1 61 ILE MG 2.780 . 3.860 2.932 2.145 3.218 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
725 1 58 GLN HE21 1 70 GLY QA 2.680 . 3.660 3.015 2.500 3.270 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
726 1 58 GLN HE22 1 61 ILE MG 3.630 . 5.560 3.157 1.871 4.387 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
727 1 59 GLU H 1 59 GLU HA 2.730 . 3.760 2.824 2.764 2.902 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
728 1 59 GLU H 1 59 GLU QB 3.130 . 4.560 2.086 1.924 2.501 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
729 1 59 GLU H 1 59 GLU QG 3.200 . 4.700 3.600 1.905 3.999 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
730 1 59 GLU H 1 60 MET H 2.670 . 3.630 2.819 2.529 3.135 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
731 1 59 GLU HA 1 59 GLU QG 2.980 . 4.260 2.284 1.945 2.863 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
732 1 59 GLU HA 1 60 MET H 3.120 . 4.540 3.561 3.489 3.594 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
733 1 59 GLU HA 1 62 ASP H 3.020 . 4.330 3.472 3.026 4.213 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
734 1 59 GLU HA 1 62 ASP QB 2.840 . 3.980 2.644 1.930 3.551 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
735 1 59 GLU QB 1 60 MET H 3.580 . 5.460 2.516 2.074 2.894 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
736 1 60 MET H 1 60 MET HA 2.790 . 3.880 2.854 2.771 2.930 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
737 1 60 MET H 1 60 MET QB 2.650 . 3.590 2.085 1.919 2.467 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
738 1 60 MET H 1 60 MET ME 3.850 . 6.000 4.389 3.545 4.996 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
739 1 60 MET H 1 60 MET QG 2.840 . 3.980 2.935 1.891 3.650 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
740 1 60 MET HA 1 60 MET ME 3.600 . 5.500 4.251 3.428 4.600 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
741 1 60 MET HA 1 60 MET QG 2.860 . 4.020 2.243 1.917 3.236 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
742 1 60 MET HA 1 63 GLU H 3.210 . 4.710 3.854 3.458 4.231 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
743 1 60 MET QB 1 61 ILE H 2.790 . 3.870 2.756 2.292 3.289 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
744 1 60 MET ME 1 60 MET QG 3.410 . 5.120 2.085 1.860 2.562 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
745 1 60 MET ME 2 2 ILE MD 4.000 . 6.000 2.811 1.691 4.143 0.309 22 0 "[ . 1 . 2 . 3 . 4]" 1
746 1 60 MET ME 2 2 ILE MG 4.000 . 6.000 3.444 1.761 4.167 0.239 23 0 "[ . 1 . 2 . 3 . 4]" 1
747 1 61 ILE H 1 61 ILE HA 2.620 . 3.540 2.928 2.857 2.990 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
748 1 61 ILE H 1 61 ILE HB 2.480 . 3.250 2.216 2.091 2.545 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
749 1 61 ILE H 1 61 ILE MD 3.040 . 4.380 2.193 1.760 3.685 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
750 1 61 ILE H 1 61 ILE QG 2.670 . 3.650 3.085 1.880 3.277 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
751 1 61 ILE H 1 62 ASP H 2.650 . 3.600 2.524 2.283 2.863 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
752 1 61 ILE HA 1 61 ILE HB 2.750 . 3.810 3.021 3.007 3.034 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
753 1 61 ILE HA 1 61 ILE MD 2.730 . 3.760 2.982 1.970 3.186 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
754 1 61 ILE HA 1 61 ILE QG 2.640 . 3.580 2.232 2.060 3.088 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
755 1 61 ILE HA 1 61 ILE MG 2.540 . 3.390 2.482 2.195 2.578 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
756 1 61 ILE HA 1 62 ASP H 2.980 . 4.260 3.564 3.496 3.592 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
757 1 61 ILE HA 1 63 GLU H 3.640 . 5.580 4.074 3.617 4.826 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
758 1 61 ILE HA 1 64 VAL H 3.060 . 4.420 3.857 3.393 4.191 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
759 1 61 ILE HA 1 64 VAL MG2 2.750 . 3.800 2.919 2.439 3.170 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
760 1 61 ILE HA 1 72 VAL MG2 2.660 . 3.620 2.179 1.821 2.728 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
761 1 61 ILE HB 1 61 ILE MD 2.620 . 3.540 2.218 1.999 3.152 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
762 1 61 ILE HB 1 61 ILE MG 2.440 . 3.170 2.124 2.103 2.151 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
763 1 61 ILE HB 1 62 ASP H 2.580 . 3.460 2.540 1.997 2.945 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
764 1 61 ILE QG 1 61 ILE MG 2.750 . 3.810 2.041 1.912 2.643 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
765 1 61 ILE QG 1 72 VAL MG2 3.270 . 4.840 2.195 1.694 3.560 0.006 28 0 "[ . 1 . 2 . 3 . 4]" 1
766 1 61 ILE MG 1 62 ASP H 3.070 . 4.440 3.129 2.265 3.572 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
767 1 61 ILE MG 1 62 ASP HA 3.160 . 4.620 3.358 2.904 3.830 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
768 1 61 ILE MG 1 65 ASP QB 3.020 . 4.340 2.881 2.141 3.245 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
769 1 61 ILE MG 1 70 GLY H 3.850 . 6.000 3.880 3.127 4.343 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
770 1 61 ILE MG 1 70 GLY QA 3.080 . 4.460 2.825 1.836 3.314 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
771 1 61 ILE MG 1 71 THR HA 3.120 . 4.540 2.630 2.030 3.099 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
772 1 61 ILE MG 1 72 VAL H 3.200 . 4.700 3.616 3.142 3.921 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
773 1 62 ASP H 1 62 ASP HA 2.700 . 3.700 2.865 2.754 2.946 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
774 1 62 ASP H 1 62 ASP QB 2.690 . 3.680 2.073 1.922 2.404 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
775 1 62 ASP H 1 63 GLU H 2.860 . 4.020 2.652 2.386 2.933 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
776 1 62 ASP HA 1 62 ASP QB 2.670 . 3.640 2.468 2.298 2.551 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
777 1 62 ASP HA 1 63 GLU H 3.120 . 4.540 3.494 3.322 3.582 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
778 1 62 ASP HA 1 65 ASP H 3.080 . 4.460 3.336 2.727 4.001 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
779 1 62 ASP HA 1 65 ASP QB 2.890 . 4.080 2.048 1.785 2.454 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
780 1 62 ASP QB 1 63 GLU H 3.020 . 4.340 2.858 2.356 3.351 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
781 1 63 GLU H 1 63 GLU HA 2.700 . 3.700 2.847 2.770 2.936 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
782 1 63 GLU H 1 63 GLU QB 2.740 . 3.780 2.017 1.921 2.264 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
783 1 63 GLU H 1 63 GLU QG 3.060 . 4.420 3.387 2.227 3.979 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
784 1 63 GLU H 1 64 VAL H 2.870 . 4.040 2.710 2.381 2.927 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
785 1 63 GLU H 1 64 VAL MG2 3.850 . 6.000 3.786 3.310 4.238 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
786 1 63 GLU HA 1 64 VAL H 2.990 . 4.280 3.513 3.355 3.590 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
787 1 63 GLU QB 1 64 VAL H 2.940 . 4.170 2.823 2.436 3.264 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
788 1 64 VAL H 1 64 VAL HA 2.830 . 3.960 2.996 2.977 3.003 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
789 1 64 VAL H 1 64 VAL HB 2.850 . 4.000 3.730 3.635 3.844 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
790 1 64 VAL H 1 64 VAL MG1 3.590 . 5.480 2.871 2.428 3.195 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
791 1 64 VAL H 1 64 VAL MG2 2.620 . 3.540 1.964 1.822 2.223 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
792 1 64 VAL H 1 65 ASP H 2.480 . 3.270 2.554 1.951 3.181 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
793 1 64 VAL HA 1 64 VAL HB 2.650 . 3.610 2.520 2.443 2.600 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
794 1 64 VAL HA 1 64 VAL MG1 3.070 . 4.440 2.273 2.102 2.469 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
795 1 64 VAL HA 1 64 VAL MG2 2.920 . 4.130 3.184 3.168 3.198 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
796 1 64 VAL HA 1 65 ASP H 2.980 . 4.260 2.966 2.603 3.365 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
797 1 64 VAL HA 1 79 VAL MG1 3.380 . 5.060 3.442 2.268 4.147 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
798 1 64 VAL HB 1 79 VAL MG1 3.330 . 4.950 3.256 2.117 4.001 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
799 1 64 VAL MG1 1 79 VAL HA 3.850 . 6.000 4.542 3.858 4.921 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
800 1 64 VAL MG1 1 79 VAL HB 2.850 . 4.000 2.885 2.133 3.334 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
801 1 64 VAL MG1 1 80 MET H 3.190 . 4.680 2.801 1.893 3.423 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
802 1 64 VAL MG1 1 80 MET HA 3.220 . 4.740 2.237 1.833 2.687 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
803 1 64 VAL MG1 1 83 ARG QD 3.500 . 5.290 2.862 2.238 3.460 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
804 1 64 VAL MG2 1 65 ASP H 3.200 . 4.700 3.394 2.564 3.914 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
805 1 64 VAL MG2 1 72 VAL MG1 3.380 . 5.050 2.795 2.287 3.416 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
806 1 64 VAL MG2 1 80 MET H 3.730 . 5.750 3.836 3.296 4.392 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
807 1 64 VAL MG2 1 80 MET HA 3.500 . 5.290 3.998 3.344 4.405 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
808 1 64 VAL MG2 1 80 MET QB 3.040 . 4.380 2.748 1.936 3.245 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
809 1 64 VAL MG2 1 80 MET ME 3.750 . 5.800 3.510 2.791 3.991 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
810 1 64 VAL MG2 1 80 MET QG 3.040 . 4.380 2.643 1.890 3.253 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
811 1 65 ASP H 1 65 ASP QB 2.610 . 3.530 2.286 1.946 2.709 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
812 1 65 ASP HA 1 66 GLU H 2.400 . 3.100 2.283 2.208 2.399 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
813 1 66 GLU H 1 66 GLU HA 2.730 . 3.770 2.979 2.925 3.004 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
814 1 66 GLU H 1 66 GLU QB 2.620 . 3.540 2.325 1.999 2.947 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
815 1 66 GLU H 1 66 GLU QG 3.070 . 4.440 3.169 1.857 3.974 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
816 1 66 GLU H 1 67 ASP H 2.660 . 3.620 2.680 2.130 3.241 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
817 1 66 GLU H 1 76 GLU QG 2.980 . 4.250 3.346 2.539 3.791 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
818 1 66 GLU HA 1 66 GLU QB 2.670 . 3.630 2.431 2.202 2.551 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
819 1 66 GLU HA 1 67 ASP H 3.140 . 4.580 3.064 2.679 3.285 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
820 1 66 GLU HA 1 68 GLY H 3.350 . 5.000 4.139 3.670 4.982 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
821 1 66 GLU QG 1 67 ASP H 3.850 . 6.000 4.332 3.153 4.893 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
822 1 67 ASP H 1 67 ASP HA 2.610 . 3.520 2.991 2.964 3.004 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
823 1 67 ASP H 1 67 ASP QB 3.140 . 4.580 3.015 2.552 3.183 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
824 1 67 ASP H 1 68 GLY H 2.670 . 3.650 1.918 1.845 2.182 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
825 1 67 ASP H 1 68 GLY QA 3.020 . 4.340 3.828 3.675 3.895 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
826 1 67 ASP H 1 69 SER H 3.510 . 5.320 3.546 3.104 3.936 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
827 1 67 ASP HA 1 68 GLY H 2.950 . 4.200 3.350 2.995 3.582 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
828 1 67 ASP HA 1 69 SER H 3.410 . 5.120 4.717 4.137 5.132 0.012 4 0 "[ . 1 . 2 . 3 . 4]" 1
829 1 68 GLY H 1 68 GLY QA 2.270 . 2.840 2.263 2.232 2.367 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
830 1 68 GLY H 1 69 SER H 2.750 . 3.800 2.641 2.000 3.106 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
831 1 68 GLY H 1 70 GLY H 3.580 . 5.460 4.311 3.472 5.174 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
832 1 68 GLY QA 1 69 SER H 2.710 . 3.730 2.786 2.560 2.935 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
833 1 69 SER H 1 69 SER HA 2.900 . 4.090 2.949 2.882 3.002 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
834 1 69 SER H 1 69 SER QB 2.360 . 3.020 2.567 2.363 2.699 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
835 1 69 SER H 1 70 GLY H 2.790 . 3.880 2.378 2.051 2.784 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
836 1 69 SER H 1 70 GLY QA 3.830 . 5.960 4.310 3.946 4.592 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
837 1 69 SER H 1 71 THR H 3.210 . 4.720 3.945 3.546 4.575 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
838 1 70 GLY H 1 71 THR H 2.600 . 3.500 2.501 1.887 3.038 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
839 1 70 GLY QA 1 71 THR H 2.570 . 3.440 2.891 2.748 2.940 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
840 1 70 GLY QA 1 71 THR MG 3.270 . 4.840 3.368 3.061 3.588 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
841 1 71 THR H 1 71 THR HA 2.900 . 4.090 2.992 2.957 3.003 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
842 1 71 THR H 1 71 THR HB 3.010 . 4.320 3.703 3.542 3.831 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
843 1 71 THR H 1 71 THR MG 3.060 . 4.420 2.940 2.428 3.397 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
844 1 71 THR HA 1 71 THR HB 2.650 . 3.600 2.549 2.430 2.688 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
845 1 71 THR HA 1 71 THR MG 2.730 . 3.760 2.259 2.066 2.414 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
846 1 71 THR HA 1 72 VAL H 2.360 . 3.030 2.482 2.323 2.714 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
847 1 71 THR HA 1 72 VAL MG2 3.370 . 5.040 3.488 3.144 3.912 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
848 1 71 THR HB 1 72 VAL H 2.560 . 3.420 2.542 2.091 2.959 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
849 1 71 THR MG 1 72 VAL H 3.250 . 4.790 3.669 3.256 3.983 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
850 1 72 VAL H 1 72 VAL HA 2.640 . 3.580 2.997 2.979 3.004 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
851 1 72 VAL H 1 72 VAL HB 2.310 . 2.920 2.414 2.228 2.648 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
852 1 72 VAL H 1 72 VAL MG1 3.310 . 4.920 3.728 3.636 3.850 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
853 1 72 VAL H 1 72 VAL MG2 2.620 . 3.540 2.899 2.624 2.978 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
854 1 72 VAL HA 1 72 VAL HB 2.730 . 3.760 3.027 3.015 3.037 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
855 1 72 VAL HA 1 72 VAL MG1 2.580 . 3.460 2.484 2.383 2.582 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
856 1 72 VAL HA 1 72 VAL MG2 2.530 . 3.360 2.240 2.085 2.334 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
857 1 72 VAL HA 1 73 ASP H 2.120 . 2.540 2.310 2.230 2.447 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
858 1 72 VAL HB 1 72 VAL MG1 2.490 . 3.280 2.138 2.108 2.153 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
859 1 72 VAL HB 1 72 VAL MG2 2.460 . 3.210 2.142 2.108 2.154 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
860 1 72 VAL MG1 1 72 VAL MG2 2.560 . 3.420 2.044 1.898 2.082 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
861 1 72 VAL MG1 1 73 ASP H 2.800 . 3.900 2.181 1.854 2.680 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
862 1 72 VAL MG1 1 76 GLU QB 3.390 . 5.080 2.143 1.786 3.233 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
863 1 72 VAL MG1 1 77 PHE H 2.590 . 3.480 2.609 2.258 2.911 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
864 1 72 VAL MG1 1 77 PHE HA 2.760 . 3.820 2.598 1.988 3.202 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
865 1 72 VAL MG1 1 77 PHE QB 2.870 . 4.040 2.237 1.807 2.646 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
866 1 72 VAL MG1 1 77 PHE QD 3.850 . 6.000 2.843 1.730 3.395 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
867 1 72 VAL MG1 1 80 MET ME 3.850 . 6.000 3.489 2.894 4.156 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
868 1 72 VAL MG2 1 73 ASP H 3.120 . 4.540 3.762 3.626 3.818 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
869 1 73 ASP H 1 73 ASP HA 2.650 . 3.590 2.998 2.974 3.004 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
870 1 73 ASP H 1 73 ASP QB 2.900 . 4.090 2.521 2.159 3.175 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
871 1 73 ASP H 1 76 GLU H 3.310 . 4.920 2.929 2.674 3.230 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
872 1 73 ASP H 1 76 GLU QB 3.350 . 5.000 2.071 1.862 3.294 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
873 1 73 ASP H 1 76 GLU QG 2.870 . 4.040 3.429 3.035 3.602 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
874 1 73 ASP HA 1 73 ASP QB 2.660 . 3.620 2.428 2.196 2.551 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
875 1 73 ASP HA 1 74 PHE H 2.810 . 3.920 2.557 2.337 3.156 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
876 1 73 ASP HA 1 75 ASP H 2.870 . 4.040 4.058 3.976 4.173 0.133 30 0 "[ . 1 . 2 . 3 . 4]" 1
877 1 73 ASP QB 1 74 PHE H 2.730 . 3.770 2.601 2.129 3.479 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
878 1 74 PHE H 1 74 PHE HA 2.760 . 3.820 2.807 2.388 2.865 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
879 1 74 PHE H 1 74 PHE QB 2.780 . 3.860 2.137 1.918 3.068 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
880 1 74 PHE H 1 74 PHE QD 3.850 . 6.000 4.017 3.632 4.140 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
881 1 74 PHE H 1 75 ASP H 2.910 . 4.120 2.767 2.674 2.950 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
882 1 74 PHE HA 1 74 PHE QD 3.050 . 4.400 2.248 1.845 3.034 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
883 1 74 PHE HA 1 75 ASP H 3.000 . 4.300 3.463 3.409 3.520 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
884 1 74 PHE HA 1 77 PHE H 2.850 . 4.000 3.825 3.319 4.008 0.008 6 0 "[ . 1 . 2 . 3 . 4]" 1
885 1 74 PHE HA 1 77 PHE QB 2.770 . 3.850 2.533 2.135 2.942 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
886 1 74 PHE QB 1 75 ASP H 3.160 . 4.620 2.965 2.720 3.122 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
887 1 74 PHE QD 1 75 ASP H 3.690 . 5.670 4.339 3.803 4.760 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
888 1 74 PHE QE 1 78 LEU MD1 3.850 . 6.000 3.261 2.018 4.439 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
889 1 75 ASP H 1 75 ASP HA 2.610 . 3.520 2.936 2.880 2.964 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
890 1 75 ASP H 1 75 ASP QB 2.670 . 3.650 2.167 1.948 2.509 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
891 1 75 ASP H 1 76 GLU H 2.730 . 3.750 2.592 2.297 2.837 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
892 1 75 ASP H 1 77 PHE H 3.720 . 5.740 3.663 3.460 4.034 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
893 1 75 ASP HA 1 75 ASP QB 2.660 . 3.620 2.445 2.195 2.551 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
894 1 75 ASP HA 1 78 LEU H 3.000 . 4.300 4.025 3.395 4.305 0.005 16 0 "[ . 1 . 2 . 3 . 4]" 1
895 1 75 ASP HA 1 78 LEU QB 3.010 . 4.320 3.459 2.895 3.859 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
896 1 75 ASP HA 1 78 LEU MD1 3.450 . 5.200 3.042 2.005 3.765 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
897 1 75 ASP QB 1 76 GLU H 3.050 . 4.400 2.294 1.863 3.407 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
898 1 76 GLU H 1 76 GLU QB 3.660 . 5.620 2.312 2.066 2.475 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
899 1 76 GLU H 1 76 GLU QG 2.520 . 3.330 2.128 1.865 2.858 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
900 1 76 GLU H 1 77 PHE H 2.880 . 4.050 2.568 2.286 2.788 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
901 1 76 GLU H 1 77 PHE QB 3.720 . 5.740 4.200 3.943 4.447 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
902 1 76 GLU HA 1 76 GLU QG 2.620 . 3.540 2.381 2.178 2.554 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
903 1 76 GLU HA 1 77 PHE H 3.150 . 4.590 3.531 3.472 3.577 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
904 1 76 GLU HA 1 79 VAL H 3.100 . 4.500 3.552 3.164 3.970 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
905 1 76 GLU HA 1 79 VAL HB 2.580 . 3.460 3.121 2.531 3.459 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
906 1 77 PHE H 1 77 PHE HA 2.710 . 3.720 2.842 2.761 2.912 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
907 1 77 PHE H 1 77 PHE QB 2.700 . 3.700 2.142 2.002 2.187 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
908 1 77 PHE H 1 77 PHE QD 3.580 . 5.460 4.086 3.828 4.146 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
909 1 77 PHE H 1 78 LEU H 3.090 . 4.480 2.810 2.619 3.043 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
910 1 77 PHE HA 1 77 PHE QD 3.420 . 5.140 2.707 1.902 3.157 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
911 1 77 PHE HA 1 78 LEU H 3.100 . 4.500 3.572 3.504 3.595 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
912 1 77 PHE HA 1 80 MET H 2.920 . 4.140 3.427 3.128 3.782 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
913 1 77 PHE HA 1 80 MET QB 2.470 . 3.240 2.645 2.034 2.902 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
914 1 77 PHE HA 1 80 MET ME 3.540 . 5.370 3.162 2.434 3.826 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
915 1 77 PHE QB 1 78 LEU H 3.470 . 5.240 2.413 1.915 2.867 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
916 1 77 PHE QD 1 80 MET ME 3.850 . 6.000 2.854 2.089 4.122 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
917 1 77 PHE QE 1 80 MET ME 3.850 . 6.000 2.946 1.882 3.987 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
918 1 78 LEU H 1 78 LEU HA 2.560 . 3.430 2.819 2.746 2.910 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
919 1 78 LEU H 1 78 LEU QB 2.790 . 3.880 2.131 1.933 2.364 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
920 1 78 LEU H 1 78 LEU MD1 3.650 . 5.600 3.467 3.041 3.766 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
921 1 78 LEU H 1 78 LEU QD 3.550 . 5.400 3.188 2.895 3.476 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
922 1 78 LEU H 1 78 LEU HG 3.000 . 4.300 2.592 2.009 3.284 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
923 1 78 LEU H 1 79 VAL H 2.890 . 4.080 2.842 2.607 3.040 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
924 1 78 LEU HA 1 78 LEU MD1 3.730 . 5.760 3.741 3.685 3.828 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
925 1 78 LEU HA 1 78 LEU MD2 2.850 . 4.000 2.070 1.841 2.440 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
926 1 78 LEU HA 1 78 LEU HG 3.140 . 4.580 2.581 2.278 2.924 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
927 1 78 LEU HA 1 79 VAL H 2.870 . 4.040 3.560 3.454 3.593 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
928 1 78 LEU HA 1 81 MET H 2.810 . 3.930 3.655 3.180 3.913 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
929 1 78 LEU HA 1 81 MET QB 2.850 . 4.000 3.083 2.318 3.571 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
930 1 78 LEU QB 1 78 LEU MD1 3.080 . 4.460 2.063 1.983 2.114 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
931 1 78 LEU QB 1 78 LEU MD2 3.100 . 4.500 2.184 2.020 2.300 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
932 1 78 LEU QB 1 79 VAL H 2.830 . 3.970 2.577 2.165 3.020 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
933 1 78 LEU MD1 1 78 LEU HG 2.420 . 3.130 2.128 2.108 2.150 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
934 1 79 VAL H 1 79 VAL HA 2.730 . 3.750 2.862 2.804 2.949 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
935 1 79 VAL H 1 79 VAL HB 2.340 . 2.980 2.362 2.206 2.599 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
936 1 79 VAL H 1 79 VAL MG1 3.250 . 4.800 3.692 3.657 3.733 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
937 1 79 VAL H 1 80 MET H 2.570 . 3.440 2.676 2.340 2.889 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
938 1 79 VAL HA 1 79 VAL MG1 2.800 . 3.900 2.414 2.253 2.551 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
939 1 79 VAL HA 1 80 MET H 3.090 . 4.480 3.535 3.461 3.594 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
940 1 79 VAL HA 1 82 VAL H 2.930 . 4.160 3.326 3.112 3.561 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
941 1 79 VAL HA 1 82 VAL HB 2.820 . 3.940 2.959 2.514 3.283 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
942 1 79 VAL HA 1 82 VAL MG1 3.850 . 6.000 4.054 3.738 4.428 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
943 1 79 VAL HA 1 82 VAL MG2 2.770 . 3.850 2.087 1.803 2.698 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
944 1 79 VAL HA 1 83 ARG H 3.160 . 4.620 4.350 3.875 4.642 0.022 29 0 "[ . 1 . 2 . 3 . 4]" 1
945 1 79 VAL HB 1 79 VAL MG1 2.440 . 3.190 2.130 2.108 2.151 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
946 1 79 VAL HB 1 80 MET H 2.360 . 3.020 2.701 2.218 3.032 0.012 34 0 "[ . 1 . 2 . 3 . 4]" 1
947 1 79 VAL MG1 1 80 MET H 3.180 . 4.660 3.478 2.971 3.871 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
948 1 79 VAL MG1 1 80 MET HA 3.640 . 5.580 3.582 3.119 3.901 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
949 1 79 VAL MG1 1 82 VAL MG2 3.800 . 5.900 3.684 3.314 4.090 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
950 1 79 VAL MG1 1 83 ARG QD 3.570 . 5.440 3.105 2.347 3.878 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
951 1 79 VAL MG1 1 83 ARG QG 3.030 . 4.360 2.923 2.352 3.242 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
952 1 79 VAL MG2 1 80 MET H 3.290 . 4.880 3.899 3.693 4.066 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
953 1 80 MET H 1 80 MET HA 2.620 . 3.540 2.858 2.766 2.933 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
954 1 80 MET H 1 80 MET QB 2.600 . 3.500 2.031 1.919 2.185 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
955 1 80 MET H 1 80 MET ME 3.850 . 6.000 4.323 3.907 4.968 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
956 1 80 MET H 1 81 MET H 2.690 . 3.670 2.681 2.434 3.000 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
957 1 80 MET HA 1 80 MET ME 3.850 . 6.000 4.309 4.104 4.778 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
958 1 80 MET HA 1 80 MET QG 2.510 . 3.320 2.071 1.908 2.501 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
959 1 80 MET HA 1 81 MET H 2.880 . 4.050 3.504 3.348 3.587 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
960 1 80 MET HA 1 83 ARG H 3.040 . 4.380 3.917 3.363 4.341 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
961 1 80 MET HA 1 83 ARG QB 2.980 . 4.260 3.372 2.710 3.811 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
962 1 80 MET HA 1 83 ARG QD 2.980 . 4.250 3.329 2.240 3.792 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
963 1 80 MET QB 1 80 MET ME 3.250 . 4.790 2.130 1.802 2.776 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
964 1 80 MET QB 1 81 MET H 2.670 . 3.650 2.819 2.175 3.257 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
965 1 80 MET ME 1 80 MET QG 3.160 . 4.620 2.253 1.911 2.467 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
966 1 80 MET ME 1 81 MET H 3.850 . 6.000 4.623 4.043 4.988 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
967 1 80 MET ME 2 2 ILE MD 4.000 . 6.000 2.980 1.773 4.098 0.227 32 0 "[ . 1 . 2 . 3 . 4]" 1
968 1 80 MET ME 2 2 ILE MG 4.000 . 6.000 3.655 2.864 4.160 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
969 1 81 MET H 1 81 MET HA 2.650 . 3.590 2.937 2.799 3.000 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
970 1 81 MET H 1 81 MET QB 2.600 . 3.500 2.128 1.936 2.437 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
971 1 81 MET H 1 81 MET QG 2.920 . 4.140 2.945 2.349 3.711 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
972 1 81 MET HA 1 81 MET ME 3.160 . 4.620 3.369 2.323 3.856 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
973 1 81 MET HA 1 81 MET QG 2.890 . 4.080 2.397 1.898 3.022 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
974 1 81 MET HA 1 82 VAL H 3.170 . 4.640 3.513 3.314 3.590 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
975 1 81 MET HA 1 84 CYS H 2.850 . 4.000 3.684 3.301 4.000 . 23 0 "[ . 1 . 2 . 3 . 4]" 1
976 1 81 MET HA 1 84 CYS QB 3.490 . 5.280 3.516 2.092 4.703 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
977 1 81 MET QB 1 82 VAL H 2.770 . 3.830 2.782 2.375 3.333 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
978 1 81 MET ME 2 2 ILE MD 4.000 . 6.000 3.528 1.799 4.163 0.201 31 0 "[ . 1 . 2 . 3 . 4]" 1
979 1 81 MET ME 2 2 ILE MG 4.000 . 6.000 3.324 2.151 4.165 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
980 1 81 MET ME 2 7 MET ME 4.000 . 6.000 3.764 2.725 4.165 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
981 1 81 MET ME 2 8 MET ME 4.000 . 6.000 3.801 3.108 4.165 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
982 1 82 VAL H 1 82 VAL HA 2.730 . 3.750 2.875 2.758 2.980 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
983 1 82 VAL H 1 82 VAL HB 2.560 . 3.420 2.569 2.456 2.661 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
984 1 82 VAL H 1 82 VAL MG2 2.770 . 3.840 1.954 1.822 2.300 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
985 1 82 VAL HA 1 82 VAL HB 2.650 . 3.600 3.032 3.021 3.038 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
986 1 82 VAL HA 1 82 VAL MG1 3.040 . 4.370 2.272 2.109 2.394 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
987 1 82 VAL HA 1 82 VAL MG2 2.830 . 3.950 2.416 2.324 2.508 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
988 1 82 VAL HA 1 85 MET H 3.250 . 4.800 3.623 2.981 4.814 0.014 35 0 "[ . 1 . 2 . 3 . 4]" 1
989 1 82 VAL HA 1 85 MET ME 3.480 . 5.250 3.300 1.845 4.322 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
990 1 82 VAL HA 1 85 MET QG 3.270 . 4.840 2.744 1.844 4.125 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
991 1 82 VAL HB 1 83 ARG H 2.660 . 3.620 2.496 2.177 3.047 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
992 1 82 VAL MG2 1 83 ARG H 3.040 . 4.380 3.634 3.448 3.689 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
993 1 83 ARG H 1 83 ARG HA 2.650 . 3.590 2.834 2.771 2.939 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
994 1 83 ARG H 1 83 ARG QB 2.610 . 3.530 2.251 2.012 2.562 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
995 1 83 ARG H 1 83 ARG QG 2.420 . 3.130 2.294 1.856 2.795 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
996 1 83 ARG H 1 84 CYS H 2.600 . 3.500 2.775 2.482 3.210 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
997 1 83 ARG HA 1 83 ARG QD 3.330 . 4.960 3.951 3.342 4.147 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
998 1 83 ARG HA 1 83 ARG QG 2.500 . 3.300 2.250 2.083 2.457 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
999 1 83 ARG HA 1 84 CYS H 2.850 . 4.000 3.517 3.309 3.599 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1000 1 83 ARG HA 1 85 MET H 3.010 . 4.320 4.009 3.482 4.348 0.028 26 0 "[ . 1 . 2 . 3 . 4]" 1
1001 1 83 ARG QB 1 83 ARG QD 3.000 . 4.300 2.153 1.935 2.424 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1002 1 83 ARG QB 1 84 CYS H 2.900 . 4.100 2.731 2.028 3.349 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1003 1 84 CYS H 1 84 CYS HA 2.630 . 3.560 2.956 2.812 3.004 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1004 1 84 CYS H 1 84 CYS QB 2.670 . 3.650 2.355 1.964 2.964 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1005 1 84 CYS QB 1 85 MET H 3.640 . 5.580 3.531 2.636 4.078 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1006 1 85 MET H 1 85 MET HA 2.920 . 4.140 2.925 2.771 3.004 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1007 1 85 MET H 1 85 MET QB 2.690 . 3.670 2.261 1.926 3.218 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1008 1 85 MET H 1 85 MET ME 3.850 . 6.000 4.531 3.805 5.009 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1009 1 85 MET H 1 85 MET QG 2.890 . 4.080 2.870 1.887 3.701 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1010 1 85 MET HA 1 85 MET ME 3.850 . 6.000 3.825 1.899 4.991 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1011 1 85 MET HA 1 85 MET QG 2.770 . 3.830 2.405 1.931 3.351 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1012 1 85 MET HA 1 86 LYS H 2.900 . 4.100 2.814 2.214 3.589 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1013 1 86 LYS H 1 86 LYS HA 2.710 . 3.720 2.841 2.364 3.003 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1014 1 86 LYS H 1 86 LYS QB 2.830 . 3.960 2.559 1.970 3.335 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1015 1 86 LYS H 1 86 LYS QG 3.850 . 6.000 3.315 1.868 4.213 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1016 1 86 LYS H 1 87 ASP H 3.450 . 5.200 3.766 1.896 4.702 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1017 1 86 LYS HA 1 86 LYS QD 3.500 . 5.300 3.590 2.331 4.279 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1018 1 86 LYS HA 1 86 LYS QG 3.320 . 4.940 2.423 1.948 3.321 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1019 1 86 LYS HA 1 87 ASP H 2.860 . 4.020 2.677 2.210 3.586 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1020 1 89 SER H 1 89 SER HA 2.870 . 4.040 2.836 2.363 3.002 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1021 1 89 SER H 1 89 SER QB 3.330 . 4.960 2.610 2.037 3.386 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
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