NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
515928 |
1ghh   |
cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ghh
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 729
_Distance_constraint_stats_list.Viol_count 1751
_Distance_constraint_stats_list.Viol_total 5417.021
_Distance_constraint_stats_list.Viol_max 0.725
_Distance_constraint_stats_list.Viol_rms 0.0682
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0186
_Distance_constraint_stats_list.Viol_average_violations_only 0.1547
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 3.487 0.205 4 0 "[ . 1 . 2]"
1 2 ARG 0.634 0.074 19 0 "[ . 1 . 2]"
1 3 ILE 4.420 0.195 18 0 "[ . 1 . 2]"
1 4 GLU 7.797 0.472 11 0 "[ . 1 . 2]"
1 5 VAL 13.086 0.430 6 0 "[ . 1 . 2]"
1 6 THR 7.631 0.304 8 0 "[ . 1 . 2]"
1 7 ILE 15.088 0.304 8 0 "[ . 1 . 2]"
1 8 ALA 8.785 0.437 19 0 "[ . 1 . 2]"
1 9 LYS 16.217 0.437 19 0 "[ . 1 . 2]"
1 10 THR 1.221 0.096 17 0 "[ . 1 . 2]"
1 11 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 PRO 0.278 0.077 2 0 "[ . 1 . 2]"
1 13 LEU 15.068 0.454 12 0 "[ . 1 . 2]"
1 14 PRO 2.134 0.135 8 0 "[ . 1 . 2]"
1 15 ALA 2.037 0.135 8 0 "[ . 1 . 2]"
1 16 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ALA 6.283 0.335 16 0 "[ . 1 . 2]"
1 18 ILE 15.116 0.610 16 3 "[ * -1 .+ 2]"
1 19 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 ALA 9.114 0.324 20 0 "[ . 1 . 2]"
1 21 LEU 10.096 0.483 20 0 "[ . 1 . 2]"
1 22 ALA 1.499 0.120 8 0 "[ . 1 . 2]"
1 23 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 GLU 8.727 0.610 16 3 "[ * -1 .+ 2]"
1 25 LEU 15.491 0.610 16 3 "[ * -1 .+ 2]"
1 26 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 ARG 0.038 0.038 16 0 "[ . 1 . 2]"
1 28 ARG 0.379 0.216 17 0 "[ . 1 . 2]"
1 29 ILE 2.430 0.205 4 0 "[ . 1 . 2]"
1 30 GLN 4.989 0.200 13 0 "[ . 1 . 2]"
1 31 TYR 0.348 0.174 8 0 "[ . 1 . 2]"
1 32 ALA 0.055 0.033 3 0 "[ . 1 . 2]"
1 33 PHE 1.010 0.151 7 0 "[ . 1 . 2]"
1 34 PRO 5.392 0.195 1 0 "[ . 1 . 2]"
1 35 ASP 3.582 0.195 1 0 "[ . 1 . 2]"
1 36 ASN 4.258 0.215 5 0 "[ . 1 . 2]"
1 37 GLU 7.549 0.293 20 0 "[ . 1 . 2]"
1 38 GLY 5.482 0.325 14 0 "[ . 1 . 2]"
1 39 HIS 4.291 0.215 5 0 "[ . 1 . 2]"
1 40 VAL 23.225 0.472 11 0 "[ . 1 . 2]"
1 41 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 VAL 13.076 0.610 16 3 "[ * -1 .+ 2]"
1 43 ARG 1.779 0.294 13 0 "[ . 1 . 2]"
1 44 TYR 6.884 0.249 15 0 "[ . 1 . 2]"
1 45 ALA 0.055 0.050 13 0 "[ . 1 . 2]"
1 46 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ALA 0.017 0.011 4 0 "[ . 1 . 2]"
1 48 ASN 0.869 0.078 15 0 "[ . 1 . 2]"
1 49 ASN 0.005 0.004 14 0 "[ . 1 . 2]"
1 50 LEU 22.393 0.430 6 0 "[ . 1 . 2]"
1 51 SER 0.178 0.072 18 0 "[ . 1 . 2]"
1 52 VAL 10.175 0.277 10 0 "[ . 1 . 2]"
1 53 ILE 3.056 0.190 11 0 "[ . 1 . 2]"
1 54 GLY 0.108 0.047 18 0 "[ . 1 . 2]"
1 55 ALA 0.663 0.206 17 0 "[ . 1 . 2]"
1 56 THR 0.713 0.236 15 0 "[ . 1 . 2]"
1 57 LYS 7.693 0.335 14 0 "[ . 1 . 2]"
1 58 GLU 1.117 0.195 17 0 "[ . 1 . 2]"
1 59 ASP 0.644 0.164 19 0 "[ . 1 . 2]"
1 60 LYS 0.436 0.123 2 0 "[ . 1 . 2]"
1 61 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 ARG 2.556 0.328 20 0 "[ . 1 . 2]"
1 63 ILE 9.418 0.368 12 0 "[ . 1 . 2]"
1 64 SER 0.984 0.058 11 0 "[ . 1 . 2]"
1 65 GLU 1.726 0.725 14 1 "[ . 1 +. 2]"
1 66 ILE 1.438 0.328 20 0 "[ . 1 . 2]"
1 67 LEU 27.360 0.512 6 1 "[ .+ 1 . 2]"
1 68 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 THR 9.520 0.411 2 0 "[ . 1 . 2]"
1 71 TRP 35.403 0.512 6 1 "[ .+ 1 . 2]"
1 72 GLU 8.053 0.413 20 0 "[ . 1 . 2]"
1 73 SER 1.239 0.279 3 0 "[ . 1 . 2]"
1 74 ALA 1.907 0.104 12 0 "[ . 1 . 2]"
1 75 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 TRP 38.674 0.610 16 3 "[ * -1 .+ 2]"
1 78 PHE 9.375 0.235 13 0 "[ . 1 . 2]"
1 79 VAL 11.821 0.430 6 0 "[ . 1 . 2]"
1 80 SER 4.848 0.248 10 0 "[ . 1 . 2]"
1 81 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 MET HA 1 1 MET QB 2.240 . 2.800 2.360 2.192 2.480 . 0 0 "[ . 1 . 2]" 1
2 1 1 MET HA 1 2 ARG H 1.970 . 2.460 2.261 2.238 2.283 . 0 0 "[ . 1 . 2]" 1
3 1 1 MET HA 1 54 GLY QA 3.590 2.690 3.740 2.783 2.643 2.978 0.047 18 0 "[ . 1 . 2]" 1
4 1 1 MET QB 1 1 MET ME 2.530 . 3.160 2.101 1.921 2.240 . 0 0 "[ . 1 . 2]" 1
5 1 1 MET QB 1 2 ARG H 4.500 . 4.500 3.252 2.877 3.664 . 0 0 "[ . 1 . 2]" 1
6 1 1 MET QB 1 3 ILE MD 3.350 . 4.190 3.664 2.647 4.220 0.030 16 0 "[ . 1 . 2]" 1
7 1 1 MET QB 1 55 ALA MB 2.850 . 3.560 3.138 2.814 3.683 0.123 2 0 "[ . 1 . 2]" 1
8 1 1 MET ME 1 1 MET QG 2.970 2.250 3.400 2.322 2.211 2.494 0.039 12 0 "[ . 1 . 2]" 1
9 1 1 MET ME 1 3 ILE MD 2.310 2.290 2.890 2.541 2.206 2.986 0.096 7 0 "[ . 1 . 2]" 1
10 1 1 MET ME 1 29 ILE MG 2.370 . 2.960 2.925 2.576 3.165 0.205 4 0 "[ . 1 . 2]" 1
11 1 1 MET ME 1 33 PHE QB 2.990 2.240 3.740 3.562 3.162 3.891 0.151 7 0 "[ . 1 . 2]" 1
12 1 1 MET ME 1 33 PHE QD 3.200 2.700 3.700 3.359 3.000 3.607 . 0 0 "[ . 1 . 2]" 1
13 1 1 MET ME 1 33 PHE QE 3.200 . 3.700 3.196 2.888 3.563 . 0 0 "[ . 1 . 2]" 1
14 1 1 MET ME 1 36 ASN QB 3.360 2.530 4.200 3.480 2.853 4.091 . 0 0 "[ . 1 . 2]" 1
15 1 1 MET ME 1 37 GLU QG 3.230 . 4.040 3.746 2.943 4.103 0.063 15 0 "[ . 1 . 2]" 1
16 1 1 MET ME 1 52 VAL MG1 3.030 2.270 3.790 3.625 3.122 3.878 0.088 9 0 "[ . 1 . 2]" 1
17 1 1 MET ME 1 52 VAL MG1 2.290 . 2.860 1.948 1.856 2.120 . 0 0 "[ . 1 . 2]" 1
18 1 1 MET ME 1 59 ASP QB 2.260 . 2.830 2.361 2.229 2.942 0.112 19 0 "[ . 1 . 2]" 1
19 1 1 MET ME 1 63 ILE MD 2.750 . 3.440 2.532 2.270 2.980 . 0 0 "[ . 1 . 2]" 1
20 1 1 MET ME 1 59 ASP QB 3.240 2.430 4.050 3.772 2.945 4.136 0.086 15 0 "[ . 1 . 2]" 1
21 1 1 MET ME 1 63 ILE MD 2.680 2.010 3.350 2.681 2.322 3.337 . 0 0 "[ . 1 . 2]" 1
22 1 2 ARG H 1 2 ARG HA 3.140 2.200 4.080 2.969 2.962 2.976 . 0 0 "[ . 1 . 2]" 1
23 1 2 ARG H 1 2 ARG QB 2.890 2.240 3.480 2.569 2.516 2.995 . 0 0 "[ . 1 . 2]" 1
24 1 2 ARG H 1 53 ILE H 3.150 2.210 4.090 3.431 3.189 3.759 . 0 0 "[ . 1 . 2]" 1
25 1 2 ARG H 1 53 ILE HB 3.240 2.430 4.050 3.440 3.023 3.953 . 0 0 "[ . 1 . 2]" 1
26 1 2 ARG H 1 53 ILE MG 4.150 3.110 5.190 4.095 3.808 4.530 . 0 0 "[ . 1 . 2]" 1
27 1 2 ARG HA 1 2 ARG QB 2.690 2.060 3.040 2.387 2.181 2.419 . 0 0 "[ . 1 . 2]" 1
28 1 2 ARG HA 1 2 ARG QG 3.000 2.320 3.360 2.372 2.293 3.307 0.027 7 0 "[ . 1 . 2]" 1
29 1 2 ARG HA 1 3 ILE H 1.780 . 2.220 2.149 2.137 2.163 . 0 0 "[ . 1 . 2]" 1
30 1 2 ARG HA 1 39 HIS H 2.860 2.200 3.580 2.778 2.614 2.953 . 0 0 "[ . 1 . 2]" 1
31 1 2 ARG HA 1 39 HIS QB 2.410 . 3.010 3.013 2.896 3.084 0.074 19 0 "[ . 1 . 2]" 1
32 1 3 ILE H 1 3 ILE HA 3.280 2.300 4.260 2.981 2.976 2.989 . 0 0 "[ . 1 . 2]" 1
33 1 3 ILE H 1 3 ILE HB 2.350 . 2.940 2.548 2.516 2.595 . 0 0 "[ . 1 . 2]" 1
34 1 3 ILE H 1 3 ILE MD 3.360 2.520 4.200 3.356 2.335 3.836 0.185 2 0 "[ . 1 . 2]" 1
35 1 3 ILE H 1 3 ILE QG 3.120 2.190 4.050 2.886 2.605 3.498 . 0 0 "[ . 1 . 2]" 1
36 1 3 ILE HA 1 3 ILE HB 2.910 2.180 3.640 3.024 3.019 3.033 . 0 0 "[ . 1 . 2]" 1
37 1 3 ILE HA 1 3 ILE QG 2.650 2.200 3.310 2.409 2.276 3.047 . 0 0 "[ . 1 . 2]" 1
38 1 3 ILE HA 1 3 ILE MG 2.760 2.070 3.450 2.314 2.264 2.353 . 0 0 "[ . 1 . 2]" 1
39 1 3 ILE HA 1 4 GLU H 1.850 . 2.310 2.190 2.181 2.201 . 0 0 "[ . 1 . 2]" 1
40 1 3 ILE HA 1 51 SER HA 2.240 . 2.800 2.734 2.660 2.801 0.001 18 0 "[ . 1 . 2]" 1
41 1 3 ILE HA 1 52 VAL HA 2.090 . 2.610 2.738 2.662 2.805 0.195 18 0 "[ . 1 . 2]" 1
42 1 3 ILE HA 1 52 VAL MG2 3.560 2.670 4.450 3.210 2.980 3.327 . 0 0 "[ . 1 . 2]" 1
43 1 3 ILE HB 1 3 ILE MD 2.650 . 3.310 2.319 2.188 3.211 . 0 0 "[ . 1 . 2]" 1
44 1 3 ILE HB 1 3 ILE QG 2.780 2.090 3.090 2.443 2.195 2.538 . 0 0 "[ . 1 . 2]" 1
45 1 3 ILE HB 1 3 ILE MG 2.480 . 3.100 2.144 2.135 2.155 . 0 0 "[ . 1 . 2]" 1
46 1 3 ILE HB 1 40 VAL HA 2.200 . 2.750 2.695 2.607 2.760 0.010 15 0 "[ . 1 . 2]" 1
47 1 3 ILE HB 1 40 VAL MG1 3.450 2.590 4.310 3.347 3.005 3.580 . 0 0 "[ . 1 . 2]" 1
48 1 3 ILE MD 1 33 PHE QD 3.200 . 3.700 3.024 2.837 3.279 . 0 0 "[ . 1 . 2]" 1
49 1 3 ILE QG 1 63 ILE MG 3.320 . 4.150 3.400 3.128 3.598 . 0 0 "[ . 1 . 2]" 1
50 1 3 ILE QG 1 52 VAL MG1 3.160 2.370 3.950 2.683 2.433 3.862 . 0 0 "[ . 1 . 2]" 1
51 1 3 ILE QG 1 52 VAL MG1 3.060 . 3.830 2.483 2.218 3.255 . 0 0 "[ . 1 . 2]" 1
52 1 3 ILE QG 1 63 ILE MD 2.790 2.680 3.490 2.904 2.664 3.154 0.016 9 0 "[ . 1 . 2]" 1
53 1 3 ILE QG 1 63 ILE MG 2.960 2.220 3.700 3.608 3.224 3.791 0.091 17 0 "[ . 1 . 2]" 1
54 1 3 ILE MG 1 4 GLU H 3.170 2.380 3.400 2.733 2.682 2.797 . 0 0 "[ . 1 . 2]" 1
55 1 4 GLU H 1 4 GLU QG 3.730 2.610 4.850 3.196 2.703 4.080 . 0 0 "[ . 1 . 2]" 1
56 1 4 GLU H 1 51 SER H 3.160 2.460 4.110 3.546 3.351 3.848 . 0 0 "[ . 1 . 2]" 1
57 1 4 GLU HA 1 5 VAL H 2.040 . 2.650 2.120 2.107 2.131 . 0 0 "[ . 1 . 2]" 1
58 1 4 GLU HA 1 5 VAL MG2 3.430 2.570 3.510 3.457 3.372 3.551 0.041 12 0 "[ . 1 . 2]" 1
59 1 4 GLU HA 1 40 VAL HA 3.010 2.260 3.760 4.138 4.068 4.232 0.472 11 0 "[ . 1 . 2]" 1
60 1 4 GLU HA 1 41 SER H 2.610 2.080 3.260 2.714 2.648 2.768 . 0 0 "[ . 1 . 2]" 1
61 1 4 GLU HA 1 41 SER QB 3.200 2.400 3.390 2.970 2.827 3.041 . 0 0 "[ . 1 . 2]" 1
62 1 4 GLU QB 1 51 SER QB 2.790 2.260 3.400 2.672 2.318 3.472 0.072 18 0 "[ . 1 . 2]" 1
63 1 5 VAL H 1 5 VAL HA 2.710 2.360 3.390 2.980 2.973 2.984 . 0 0 "[ . 1 . 2]" 1
64 1 5 VAL H 1 5 VAL HB 2.300 . 2.880 2.680 2.572 2.747 . 0 0 "[ . 1 . 2]" 1
65 1 5 VAL H 1 5 VAL MG1 3.550 2.660 4.440 3.877 3.831 3.897 . 0 0 "[ . 1 . 2]" 1
66 1 5 VAL H 1 5 VAL MG2 3.000 2.250 3.750 2.595 2.491 2.724 . 0 0 "[ . 1 . 2]" 1
67 1 5 VAL H 1 41 SER H 3.880 2.720 4.720 3.472 3.330 3.692 . 0 0 "[ . 1 . 2]" 1
68 1 5 VAL H 1 42 VAL HA 2.600 . 3.250 3.255 3.004 3.341 0.091 13 0 "[ . 1 . 2]" 1
69 1 5 VAL HA 1 5 VAL HB 3.180 2.390 3.970 3.021 3.012 3.031 . 0 0 "[ . 1 . 2]" 1
70 1 5 VAL HA 1 5 VAL MG1 2.580 . 3.230 2.287 2.230 2.343 . 0 0 "[ . 1 . 2]" 1
71 1 5 VAL HA 1 5 VAL MG2 2.670 . 3.340 2.413 2.361 2.489 . 0 0 "[ . 1 . 2]" 1
72 1 5 VAL HA 1 6 THR H 1.920 . 2.400 2.169 2.150 2.186 . 0 0 "[ . 1 . 2]" 1
73 1 5 VAL HA 1 50 LEU HA 2.230 . 2.790 2.714 2.608 2.790 0.000 12 0 "[ . 1 . 2]" 1
74 1 5 VAL HA 1 50 LEU QD 3.140 2.360 3.920 2.786 2.497 3.878 . 0 0 "[ . 1 . 2]" 1
75 1 5 VAL HB 1 5 VAL MG2 2.370 . 2.960 2.144 2.139 2.152 . 0 0 "[ . 1 . 2]" 1
76 1 5 VAL HB 1 42 VAL HA 2.360 . 2.950 2.975 2.895 3.033 0.083 4 0 "[ . 1 . 2]" 1
77 1 5 VAL HB 1 42 VAL MG1 2.900 2.180 3.620 3.004 2.526 3.388 . 0 0 "[ . 1 . 2]" 1
78 1 5 VAL HB 1 42 VAL MG2 . . 2.470 2.269 2.243 2.294 . 0 0 "[ . 1 . 2]" 1
79 1 5 VAL QG 1 71 TRP HZ3 3.200 . 3.700 3.676 3.386 3.783 0.083 14 0 "[ . 1 . 2]" 1
80 1 5 VAL MG1 1 6 THR H 2.860 2.140 3.580 2.535 2.456 2.600 . 0 0 "[ . 1 . 2]" 1
81 1 5 VAL MG1 1 7 ILE MD 2.870 2.150 3.590 3.497 3.245 3.641 0.051 6 0 "[ . 1 . 2]" 1
82 1 5 VAL MG1 1 18 ILE MD 2.840 . 3.550 2.338 2.220 3.243 . 0 0 "[ . 1 . 2]" 1
83 1 5 VAL MG1 1 44 TYR QE 3.750 . 4.500 3.703 3.485 4.012 . 0 0 "[ . 1 . 2]" 1
84 1 5 VAL MG2 1 50 LEU HA 3.410 2.560 4.260 3.658 3.501 3.885 . 0 0 "[ . 1 . 2]" 1
85 1 5 VAL MG2 1 71 TRP HE3 3.200 . 3.700 4.068 4.001 4.130 0.430 6 0 "[ . 1 . 2]" 1
86 1 5 VAL MG2 1 50 LEU HG 3.210 2.410 4.010 4.058 2.884 4.310 0.300 9 0 "[ . 1 . 2]" 1
87 1 6 THR H 1 6 THR HA 2.770 2.530 3.460 2.973 2.968 2.977 . 0 0 "[ . 1 . 2]" 1
88 1 6 THR H 1 6 THR MG 3.430 2.400 4.460 2.845 2.428 3.105 . 0 0 "[ . 1 . 2]" 1
89 1 6 THR H 1 49 ASN H 3.160 2.320 4.110 3.130 2.959 3.399 . 0 0 "[ . 1 . 2]" 1
90 1 6 THR HA 1 6 THR HB 2.080 . 2.600 2.489 2.356 2.586 . 0 0 "[ . 1 . 2]" 1
91 1 6 THR HA 1 6 THR MG . 2.120 2.640 2.322 2.216 2.504 . 0 0 "[ . 1 . 2]" 1
92 1 6 THR HA 1 7 ILE H 1.770 . 2.210 2.116 2.099 2.137 . 0 0 "[ . 1 . 2]" 1
93 1 6 THR HA 1 7 ILE HB 3.230 2.420 3.930 4.191 4.151 4.234 0.304 8 0 "[ . 1 . 2]" 1
94 1 6 THR HA 1 43 ARG H 2.730 . 3.550 2.799 2.680 2.906 . 0 0 "[ . 1 . 2]" 1
95 1 6 THR HA 1 45 ALA MB 3.090 2.320 3.860 3.779 3.607 3.910 0.050 13 0 "[ . 1 . 2]" 1
96 1 6 THR HB 1 6 THR MG 1.900 . 2.370 2.148 2.140 2.153 . 0 0 "[ . 1 . 2]" 1
97 1 6 THR HB 1 7 ILE H 2.460 2.050 3.080 3.126 3.081 3.173 0.093 9 0 "[ . 1 . 2]" 1
98 1 6 THR HB 1 45 ALA MB 1.990 . 2.490 2.126 2.058 2.207 . 0 0 "[ . 1 . 2]" 1
99 1 6 THR MG 1 7 ILE H 3.500 2.630 4.370 3.824 3.621 4.110 . 0 0 "[ . 1 . 2]" 1
100 1 6 THR MG 1 43 ARG QG 3.180 2.380 3.980 3.664 2.586 4.206 0.226 4 0 "[ . 1 . 2]" 1
101 1 6 THR MG 1 45 ALA MB 2.460 . 3.010 2.585 2.229 2.986 . 0 0 "[ . 1 . 2]" 1
102 1 7 ILE H 1 7 ILE HA 3.060 2.380 3.820 2.965 2.959 2.968 . 0 0 "[ . 1 . 2]" 1
103 1 7 ILE H 1 7 ILE HB 2.370 . 2.960 2.349 2.321 2.381 . 0 0 "[ . 1 . 2]" 1
104 1 7 ILE H 1 7 ILE MD 3.940 2.950 4.930 3.928 3.736 4.267 . 0 0 "[ . 1 . 2]" 1
105 1 7 ILE H 1 7 ILE QG 3.330 2.500 4.160 3.013 2.888 3.128 . 0 0 "[ . 1 . 2]" 1
106 1 7 ILE H 1 7 ILE MG 3.850 2.890 4.810 3.680 3.655 3.721 . 0 0 "[ . 1 . 2]" 1
107 1 7 ILE H 1 43 ARG H 3.320 2.320 4.320 3.745 3.615 3.934 . 0 0 "[ . 1 . 2]" 1
108 1 7 ILE H 1 44 TYR HA 2.440 2.020 3.050 2.890 2.718 3.022 . 0 0 "[ . 1 . 2]" 1
109 1 7 ILE H 1 45 ALA H 3.620 2.640 4.710 3.507 3.374 3.630 . 0 0 "[ . 1 . 2]" 1
110 1 7 ILE H 1 45 ALA MB 3.600 2.700 4.500 3.847 3.740 3.972 . 0 0 "[ . 1 . 2]" 1
111 1 7 ILE HA 1 7 ILE HB 2.900 2.170 3.630 3.008 3.003 3.015 . 0 0 "[ . 1 . 2]" 1
112 1 7 ILE HA 1 7 ILE MD 3.140 2.360 3.920 3.484 2.276 3.807 0.084 11 0 "[ . 1 . 2]" 1
113 1 7 ILE HA 1 7 ILE QG 3.020 2.270 3.750 2.346 2.279 2.550 . 0 0 "[ . 1 . 2]" 1
114 1 7 ILE HA 1 7 ILE MG 2.650 . 3.310 2.500 2.425 2.565 . 0 0 "[ . 1 . 2]" 1
115 1 7 ILE HA 1 8 ALA H 1.900 . 2.380 2.198 2.187 2.213 . 0 0 "[ . 1 . 2]" 1
116 1 7 ILE HA 1 48 ASN HA 2.300 . 2.880 2.907 2.777 2.958 0.078 15 0 "[ . 1 . 2]" 1
117 1 7 ILE HB 1 7 ILE MD 2.980 2.240 3.720 2.506 2.249 3.206 . 0 0 "[ . 1 . 2]" 1
118 1 7 ILE HB 1 7 ILE MG 2.260 . 2.830 2.153 2.143 2.161 . 0 0 "[ . 1 . 2]" 1
119 1 7 ILE HB 1 44 TYR QD 2.750 . 3.100 3.085 2.819 3.349 0.249 15 0 "[ . 1 . 2]" 1
120 1 7 ILE HB 1 44 TYR QE 3.750 . 4.500 3.569 3.402 3.801 . 0 0 "[ . 1 . 2]" 1
121 1 7 ILE HB 1 18 ILE MD 3.420 2.560 4.060 3.203 2.781 4.191 0.131 13 0 "[ . 1 . 2]" 1
122 1 7 ILE HB 1 44 TYR HA 2.880 2.160 3.310 3.363 3.286 3.411 0.101 5 0 "[ . 1 . 2]" 1
123 1 7 ILE MD 1 13 LEU QD 1.990 . 2.490 2.031 1.893 2.439 . 0 0 "[ . 1 . 2]" 1
124 1 7 ILE MD 1 13 LEU HG 3.550 2.810 4.440 3.750 3.425 4.392 . 0 0 "[ . 1 . 2]" 1
125 1 7 ILE MD 1 18 ILE MD 2.970 2.230 3.710 2.545 2.033 3.752 0.197 9 0 "[ . 1 . 2]" 1
126 1 7 ILE MD 1 21 LEU QD 2.820 2.120 3.520 2.451 2.145 3.360 . 0 0 "[ . 1 . 2]" 1
127 1 7 ILE MD 1 42 VAL HB 4.500 . 4.500 4.168 3.965 4.498 . 0 0 "[ . 1 . 2]" 1
128 1 7 ILE MD 1 44 TYR QD 4.400 3.300 5.500 4.745 4.443 5.469 . 0 0 "[ . 1 . 2]" 1
129 1 7 ILE MD 1 44 TYR QE 4.400 3.300 5.500 4.152 3.694 5.186 . 0 0 "[ . 1 . 2]" 1
130 1 7 ILE MD 1 71 TRP HH2 4.400 3.300 5.500 5.521 5.437 5.588 0.088 8 0 "[ . 1 . 2]" 1
131 1 7 ILE MD 1 71 TRP HZ3 4.400 3.300 5.500 5.368 5.216 5.522 0.022 15 0 "[ . 1 . 2]" 1
132 1 7 ILE QG 1 44 TYR QE 3.750 . 4.500 2.977 2.871 3.951 . 0 0 "[ . 1 . 2]" 1
133 1 7 ILE MG 1 8 ALA H 2.990 2.240 3.740 2.529 2.466 2.582 . 0 0 "[ . 1 . 2]" 1
134 1 7 ILE MG 1 8 ALA MB 2.660 . 3.330 3.495 3.472 3.526 0.196 1 0 "[ . 1 . 2]" 1
135 1 7 ILE MG 1 9 LYS HA 3.810 2.860 4.760 3.869 3.723 3.989 . 0 0 "[ . 1 . 2]" 1
136 1 7 ILE MG 1 11 SER QB 3.380 2.530 4.130 3.097 2.770 3.732 . 0 0 "[ . 1 . 2]" 1
137 1 7 ILE MG 1 13 LEU HG 3.510 2.630 4.390 3.195 2.995 3.870 . 0 0 "[ . 1 . 2]" 1
138 1 7 ILE MG 1 18 ILE MD 3.700 2.780 4.620 3.194 2.873 3.921 . 0 0 "[ . 1 . 2]" 1
139 1 7 ILE MG 1 44 TYR QD 2.750 2.400 3.100 2.614 2.471 2.759 . 0 0 "[ . 1 . 2]" 1
140 1 7 ILE MG 1 44 TYR QE 2.350 . 2.700 2.598 2.360 2.841 0.141 19 0 "[ . 1 . 2]" 1
141 1 8 ALA H 1 8 ALA HA 2.580 2.130 3.220 2.822 2.818 2.830 . 0 0 "[ . 1 . 2]" 1
142 1 8 ALA H 1 8 ALA MB 2.370 . 2.910 2.196 2.173 2.220 . 0 0 "[ . 1 . 2]" 1
143 1 8 ALA H 1 48 ASN HA 2.900 2.180 3.620 3.016 2.800 3.161 . 0 0 "[ . 1 . 2]" 1
144 1 8 ALA HA 1 8 ALA MB 1.960 . 2.450 2.140 2.135 2.147 . 0 0 "[ . 1 . 2]" 1
145 1 8 ALA HA 1 9 LYS H 1.810 . 2.260 2.029 2.015 2.039 . 0 0 "[ . 1 . 2]" 1
146 1 8 ALA HA 1 9 LYS QB 3.050 2.290 3.810 4.063 3.964 4.247 0.437 19 0 "[ . 1 . 2]" 1
147 1 8 ALA HA 1 47 ALA H 3.390 2.630 4.240 4.097 3.938 4.220 . 0 0 "[ . 1 . 2]" 1
148 1 8 ALA HA 1 47 ALA HA 2.930 2.200 3.660 3.569 3.474 3.671 0.011 4 0 "[ . 1 . 2]" 1
149 1 8 ALA MB 1 9 LYS H 3.290 2.470 4.110 2.964 2.896 3.005 . 0 0 "[ . 1 . 2]" 1
150 1 8 ALA MB 1 10 THR H 3.390 2.540 4.240 2.541 2.499 2.606 0.041 7 0 "[ . 1 . 2]" 1
151 1 8 ALA MB 1 11 SER H 3.600 2.700 4.500 3.325 3.219 3.395 . 0 0 "[ . 1 . 2]" 1
152 1 8 ALA MB 1 11 SER QB 3.680 2.760 4.600 3.368 3.137 3.806 . 0 0 "[ . 1 . 2]" 1
153 1 8 ALA MB 1 47 ALA H 3.790 2.840 4.740 4.437 4.325 4.543 . 0 0 "[ . 1 . 2]" 1
154 1 8 ALA MB 1 47 ALA HA 2.650 . 3.310 2.578 2.450 2.756 . 0 0 "[ . 1 . 2]" 1
155 1 8 ALA MB 1 48 ASN H 3.160 2.370 3.950 2.504 2.303 2.639 0.067 10 0 "[ . 1 . 2]" 1
156 1 9 LYS H 1 9 LYS HA . 2.060 2.670 2.793 2.784 2.807 0.137 19 0 "[ . 1 . 2]" 1
157 1 9 LYS H 1 9 LYS QB 2.820 2.120 3.220 2.289 2.244 2.374 . 0 0 "[ . 1 . 2]" 1
158 1 9 LYS H 1 9 LYS QG 3.290 2.640 4.110 3.469 2.452 4.054 0.188 18 0 "[ . 1 . 2]" 1
159 1 9 LYS H 1 10 THR H 3.450 2.420 4.320 2.739 2.707 2.771 . 0 0 "[ . 1 . 2]" 1
160 1 9 LYS H 1 45 ALA H 3.250 2.270 4.230 3.441 3.232 3.750 . 0 0 "[ . 1 . 2]" 1
161 1 9 LYS HA 1 9 LYS QB 2.620 . 2.720 2.390 2.195 2.479 . 0 0 "[ . 1 . 2]" 1
162 1 9 LYS HA 1 9 LYS QG 3.670 2.750 4.410 2.557 2.412 3.315 0.338 7 0 "[ . 1 . 2]" 1
163 1 9 LYS HA 1 10 THR H 3.730 2.610 4.850 3.459 3.440 3.474 . 0 0 "[ . 1 . 2]" 1
164 1 9 LYS HA 1 11 SER H 3.620 2.720 4.520 3.263 3.210 3.348 . 0 0 "[ . 1 . 2]" 1
165 1 9 LYS HA 1 44 TYR QB 3.340 2.510 4.170 3.397 3.235 3.736 . 0 0 "[ . 1 . 2]" 1
166 1 9 LYS HA 1 44 TYR QD 2.350 . 2.700 2.686 2.316 2.845 0.145 16 0 "[ . 1 . 2]" 1
167 1 9 LYS HA 1 44 TYR QE 3.750 3.000 4.500 3.822 3.396 4.013 . 0 0 "[ . 1 . 2]" 1
168 1 9 LYS QB 1 9 LYS QD 2.810 2.110 3.510 2.146 2.103 2.270 0.007 7 0 "[ . 1 . 2]" 1
169 1 9 LYS QB 1 9 LYS QG 2.600 . 3.250 2.109 2.037 2.121 . 0 0 "[ . 1 . 2]" 1
170 1 9 LYS QB 1 44 TYR QB 3.460 2.600 4.320 2.970 2.503 4.032 0.097 20 0 "[ . 1 . 2]" 1
171 1 9 LYS QB 1 44 TYR QD 3.750 3.000 4.500 3.921 3.447 4.489 . 0 0 "[ . 1 . 2]" 1
172 1 10 THR H 1 10 THR HA 3.120 2.340 3.900 2.828 2.820 2.836 . 0 0 "[ . 1 . 2]" 1
173 1 10 THR H 1 10 THR MG 3.190 2.390 3.990 2.342 2.294 2.395 0.096 17 0 "[ . 1 . 2]" 1
174 1 10 THR H 1 11 SER H 2.910 2.040 3.480 2.604 2.570 2.639 . 0 0 "[ . 1 . 2]" 1
175 1 10 THR HA 1 10 THR HB 2.250 . 2.800 2.542 2.523 2.570 . 0 0 "[ . 1 . 2]" 1
176 1 10 THR HA 1 10 THR MG 2.440 . 2.610 2.264 2.224 2.324 . 0 0 "[ . 1 . 2]" 1
177 1 10 THR HA 1 11 SER H 3.210 2.410 3.780 3.395 3.379 3.418 . 0 0 "[ . 1 . 2]" 1
178 1 10 THR HA 1 12 PRO QD 3.200 2.400 4.000 3.588 3.534 3.641 . 0 0 "[ . 1 . 2]" 1
179 1 10 THR HB 1 10 THR MG 2.060 . 2.570 2.144 2.139 2.148 . 0 0 "[ . 1 . 2]" 1
180 1 11 SER H 1 11 SER HA 3.030 2.270 3.240 2.977 2.975 2.979 . 0 0 "[ . 1 . 2]" 1
181 1 11 SER H 1 11 SER QB 3.200 2.400 4.000 2.637 2.424 3.040 . 0 0 "[ . 1 . 2]" 1
182 1 11 SER HA 1 11 SER QB 2.640 . 2.700 2.314 2.184 2.411 . 0 0 "[ . 1 . 2]" 1
183 1 11 SER HA 1 12 PRO QD 2.300 . 2.450 2.176 2.167 2.192 . 0 0 "[ . 1 . 2]" 1
184 1 12 PRO HA 1 13 LEU H 2.060 . 2.580 2.052 2.038 2.070 . 0 0 "[ . 1 . 2]" 1
185 1 12 PRO HA 1 13 LEU HG 3.500 2.620 4.380 3.464 3.296 4.007 . 0 0 "[ . 1 . 2]" 1
186 1 12 PRO HA 1 44 TYR QE 2.750 2.400 3.100 2.978 2.733 3.177 0.077 2 0 "[ . 1 . 2]" 1
187 1 12 PRO QB 1 13 LEU H 3.360 2.520 4.200 3.245 3.211 3.270 . 0 0 "[ . 1 . 2]" 1
188 1 13 LEU H 1 13 LEU HA 2.950 2.210 3.690 2.959 2.953 2.963 . 0 0 "[ . 1 . 2]" 1
189 1 13 LEU H 1 13 LEU QB 2.570 2.070 3.210 2.584 2.310 2.665 . 0 0 "[ . 1 . 2]" 1
190 1 13 LEU H 1 13 LEU QD 3.560 2.670 4.450 3.044 2.971 3.385 . 0 0 "[ . 1 . 2]" 1
191 1 13 LEU H 1 13 LEU HG 2.660 . 3.330 2.425 2.254 3.070 . 0 0 "[ . 1 . 2]" 1
192 1 13 LEU HA 1 13 LEU QB 2.470 . 3.090 2.314 2.279 2.443 . 0 0 "[ . 1 . 2]" 1
193 1 13 LEU HA 1 13 LEU QD 2.320 . 2.900 2.121 2.063 2.238 . 0 0 "[ . 1 . 2]" 1
194 1 13 LEU HA 1 13 LEU HG 2.970 2.230 3.710 3.257 2.569 3.342 . 0 0 "[ . 1 . 2]" 1
195 1 13 LEU HA 1 14 PRO QD 2.350 . 2.460 2.140 2.127 2.155 . 0 0 "[ . 1 . 2]" 1
196 1 13 LEU HA 1 18 ILE MD 3.190 . 3.990 3.872 3.681 4.284 0.294 13 0 "[ . 1 . 2]" 1
197 1 13 LEU QB 1 13 LEU QD 3.200 2.400 3.340 1.971 1.946 1.987 0.454 12 0 "[ . 1 . 2]" 1
198 1 13 LEU QB 1 14 PRO QD 2.420 . 2.930 2.267 2.245 2.285 . 0 0 "[ . 1 . 2]" 1
199 1 13 LEU QB 1 17 ALA MB 2.430 2.230 3.040 2.022 1.895 2.123 0.335 16 0 "[ . 1 . 2]" 1
200 1 13 LEU QD 1 13 LEU HG 2.430 . 3.040 1.914 1.910 1.916 . 0 0 "[ . 1 . 2]" 1
201 1 13 LEU QD 1 14 PRO QD 3.130 2.380 3.700 2.910 2.323 3.096 0.057 12 0 "[ . 1 . 2]" 1
202 1 13 LEU QD 1 17 ALA MB 2.680 2.020 3.350 2.659 2.358 2.758 . 0 0 "[ . 1 . 2]" 1
203 1 13 LEU QD 1 18 ILE MD 3.160 2.370 3.950 2.428 2.271 3.311 0.099 13 0 "[ . 1 . 2]" 1
204 1 13 LEU QD 1 77 TRP HZ3 4.400 . 5.500 4.659 4.583 4.738 . 0 0 "[ . 1 . 2]" 1
205 1 13 LEU QD 1 78 PHE QD 3.750 . 4.500 4.152 3.979 4.338 . 0 0 "[ . 1 . 2]" 1
206 1 13 LEU HG 1 44 TYR QE 3.750 . 4.500 3.152 2.950 3.974 . 0 0 "[ . 1 . 2]" 1
207 1 14 PRO HA 1 15 ALA H 2.170 . 2.710 2.172 2.150 2.201 . 0 0 "[ . 1 . 2]" 1
208 1 14 PRO HA 1 15 ALA MB 3.070 2.300 3.840 3.942 3.908 3.975 0.135 8 0 "[ . 1 . 2]" 1
209 1 14 PRO QB 1 15 ALA H 3.360 2.470 4.370 2.909 2.861 2.955 . 0 0 "[ . 1 . 2]" 1
210 1 14 PRO QB 1 17 ALA MB 2.970 2.230 3.710 3.466 3.348 3.718 0.008 16 0 "[ . 1 . 2]" 1
211 1 14 PRO QD 1 17 ALA MB 2.910 2.280 3.150 2.543 2.267 2.725 0.013 12 0 "[ . 1 . 2]" 1
212 1 14 PRO QG 1 17 ALA MB 3.100 2.420 3.880 2.548 2.405 2.956 0.015 7 0 "[ . 1 . 2]" 1
213 1 15 ALA H 1 15 ALA HA 2.740 . 3.560 2.774 2.767 2.785 . 0 0 "[ . 1 . 2]" 1
214 1 15 ALA H 1 15 ALA HA 2.500 . 3.120 2.469 2.453 2.483 . 0 0 "[ . 1 . 2]" 1
215 1 15 ALA H 1 15 ALA MB 2.500 . 2.850 2.161 2.113 2.192 . 0 0 "[ . 1 . 2]" 1
216 1 15 ALA HA 1 15 ALA MB 2.320 . 2.370 2.123 2.119 2.127 . 0 0 "[ . 1 . 2]" 1
217 1 15 ALA HA 1 17 ALA H 3.480 2.610 4.350 4.227 4.090 4.331 . 0 0 "[ . 1 . 2]" 1
218 1 17 ALA H 1 17 ALA HA 2.550 . 3.190 2.851 2.842 2.860 . 0 0 "[ . 1 . 2]" 1
219 1 17 ALA H 1 17 ALA MB 2.450 . 3.060 2.122 2.066 2.169 . 0 0 "[ . 1 . 2]" 1
220 1 17 ALA HA 1 17 ALA MB 2.360 . 2.510 2.127 2.120 2.130 . 0 0 "[ . 1 . 2]" 1
221 1 17 ALA HA 1 18 ILE H 3.230 2.600 4.040 3.544 3.525 3.572 . 0 0 "[ . 1 . 2]" 1
222 1 17 ALA HA 1 20 ALA H 3.030 2.270 3.790 3.195 3.088 3.436 . 0 0 "[ . 1 . 2]" 1
223 1 17 ALA HA 1 20 ALA MB 2.720 2.040 2.800 2.461 2.383 2.697 . 0 0 "[ . 1 . 2]" 1
224 1 17 ALA HA 1 78 PHE QD 3.750 3.000 4.500 3.831 3.424 4.125 . 0 0 "[ . 1 . 2]" 1
225 1 17 ALA HA 1 78 PHE QE 3.200 2.700 3.700 2.596 2.514 2.682 0.186 16 0 "[ . 1 . 2]" 1
226 1 17 ALA MB 1 18 ILE H 3.180 2.390 3.970 2.790 2.603 2.887 . 0 0 "[ . 1 . 2]" 1
227 1 17 ALA MB 1 78 PHE QD 3.750 . 4.500 4.062 3.711 4.436 . 0 0 "[ . 1 . 2]" 1
228 1 17 ALA MB 1 78 PHE QE 3.200 . 3.700 2.950 2.610 3.377 . 0 0 "[ . 1 . 2]" 1
229 1 17 ALA MB 1 77 TRP HH2 4.400 3.300 5.500 4.780 4.611 4.955 . 0 0 "[ . 1 . 2]" 1
230 1 18 ILE H 1 18 ILE HA 2.600 2.030 3.250 2.805 2.782 2.813 . 0 0 "[ . 1 . 2]" 1
231 1 18 ILE H 1 18 ILE HB 2.230 . 2.790 2.407 2.209 2.502 . 0 0 "[ . 1 . 2]" 1
232 1 18 ILE H 1 18 ILE QG 2.920 2.200 3.630 2.319 2.154 3.484 0.046 16 0 "[ . 1 . 2]" 1
233 1 18 ILE H 1 18 ILE MG 3.190 2.390 3.930 3.742 3.645 3.763 . 0 0 "[ . 1 . 2]" 1
234 1 18 ILE H 1 19 ASP H 2.730 . 3.550 2.756 2.688 2.802 . 0 0 "[ . 1 . 2]" 1
235 1 18 ILE H 1 20 ALA H 3.560 2.490 4.630 3.996 3.949 4.114 . 0 0 "[ . 1 . 2]" 1
236 1 18 ILE HA 1 18 ILE HB 2.490 . 3.110 3.021 2.996 3.027 . 0 0 "[ . 1 . 2]" 1
237 1 18 ILE HA 1 18 ILE MD 2.970 2.230 3.310 2.320 2.086 3.741 0.431 4 0 "[ . 1 . 2]" 1
238 1 18 ILE HA 1 18 ILE MG 2.190 2.070 2.740 2.444 2.395 2.680 . 0 0 "[ . 1 . 2]" 1
239 1 18 ILE HA 1 19 ASP H 3.700 2.780 4.620 3.560 3.536 3.572 . 0 0 "[ . 1 . 2]" 1
240 1 18 ILE HA 1 21 LEU H 3.480 2.670 4.350 3.432 3.294 3.627 . 0 0 "[ . 1 . 2]" 1
241 1 18 ILE HA 1 21 LEU QB 3.170 2.380 3.390 2.538 2.352 2.686 0.028 15 0 "[ . 1 . 2]" 1
242 1 18 ILE HA 1 21 LEU QD 2.890 2.170 3.610 3.215 3.074 3.363 . 0 0 "[ . 1 . 2]" 1
243 1 18 ILE HA 1 22 ALA H 3.680 2.760 4.600 4.060 3.960 4.146 . 0 0 "[ . 1 . 2]" 1
244 1 18 ILE HB 1 18 ILE MD 3.060 2.300 3.510 3.113 2.353 3.234 . 0 0 "[ . 1 . 2]" 1
245 1 18 ILE HB 1 18 ILE QG 2.680 2.010 3.260 2.207 2.183 2.398 . 0 0 "[ . 1 . 2]" 1
246 1 18 ILE HB 1 18 ILE MG 2.220 . 2.670 2.140 2.135 2.156 . 0 0 "[ . 1 . 2]" 1
247 1 18 ILE HB 1 19 ASP H 2.630 . 3.290 2.463 2.399 2.695 . 0 0 "[ . 1 . 2]" 1
248 1 18 ILE MD 1 42 VAL MG1 2.780 2.080 3.480 2.174 1.989 3.606 0.126 13 0 "[ . 1 . 2]" 1
249 1 18 ILE MD 1 44 TYR QD 3.750 3.000 4.500 3.883 3.498 4.301 . 0 0 "[ . 1 . 2]" 1
250 1 18 ILE MD 1 44 TYR QE 3.200 2.700 3.700 3.001 2.633 3.411 0.067 4 0 "[ . 1 . 2]" 1
251 1 18 ILE QG 1 42 VAL MG1 2.990 2.240 3.740 3.701 2.252 3.859 0.119 9 0 "[ . 1 . 2]" 1
252 1 18 ILE QG 1 44 TYR QE 3.750 3.000 4.500 3.001 2.880 4.097 0.120 18 0 "[ . 1 . 2]" 1
253 1 18 ILE MG 1 19 ASP H 3.300 2.470 3.930 3.097 2.733 3.193 . 0 0 "[ . 1 . 2]" 1
254 1 18 ILE MG 1 77 TRP HH2 2.750 . 3.100 3.536 3.382 3.710 0.610 16 3 "[ * -1 .+ 2]" 1
255 1 18 ILE MG 1 77 TRP HZ3 3.750 . 4.500 3.110 2.970 3.984 . 0 0 "[ . 1 . 2]" 1
256 1 18 ILE MG 1 43 ARG HA 4.500 . 4.500 3.150 3.012 3.232 . 0 0 "[ . 1 . 2]" 1
257 1 18 ILE MG 1 44 TYR QD 4.400 . 5.500 4.445 4.331 4.712 . 0 0 "[ . 1 . 2]" 1
258 1 18 ILE MG 1 44 TYR QE 3.750 . 4.500 4.001 3.666 4.579 0.079 4 0 "[ . 1 . 2]" 1
259 1 18 ILE MG 1 43 ARG HA 3.550 2.660 4.440 3.573 3.256 3.699 . 0 0 "[ . 1 . 2]" 1
260 1 19 ASP H 1 19 ASP HA 2.550 . 3.190 2.844 2.833 2.855 . 0 0 "[ . 1 . 2]" 1
261 1 19 ASP H 1 19 ASP QB 2.640 . 3.280 2.398 2.292 2.682 . 0 0 "[ . 1 . 2]" 1
262 1 19 ASP HA 1 19 ASP QB 2.520 2.120 3.150 2.395 2.198 2.439 . 0 0 "[ . 1 . 2]" 1
263 1 19 ASP HA 1 20 ALA H 3.230 2.630 4.040 3.541 3.528 3.557 . 0 0 "[ . 1 . 2]" 1
264 1 19 ASP HA 1 22 ALA H 3.260 2.530 4.070 3.510 3.404 3.561 . 0 0 "[ . 1 . 2]" 1
265 1 19 ASP HA 1 22 ALA MB 2.660 . 2.980 2.809 2.671 2.921 . 0 0 "[ . 1 . 2]" 1
266 1 19 ASP QB 1 20 ALA H 3.070 2.560 3.770 2.802 2.688 3.470 . 0 0 "[ . 1 . 2]" 1
267 1 20 ALA H 1 20 ALA HA 2.540 . 3.180 2.822 2.817 2.829 . 0 0 "[ . 1 . 2]" 1
268 1 20 ALA H 1 20 ALA MB 2.380 . 2.980 2.201 2.150 2.223 . 0 0 "[ . 1 . 2]" 1
269 1 20 ALA H 1 21 LEU H 2.640 . 3.430 2.645 2.613 2.667 . 0 0 "[ . 1 . 2]" 1
270 1 20 ALA HA 1 20 ALA MB 2.270 . 2.440 2.134 2.129 2.142 . 0 0 "[ . 1 . 2]" 1
271 1 20 ALA HA 1 21 LEU H 4.240 2.970 5.510 3.533 3.518 3.550 . 0 0 "[ . 1 . 2]" 1
272 1 20 ALA HA 1 23 GLY H 3.170 2.430 3.960 3.501 3.414 3.619 . 0 0 "[ . 1 . 2]" 1
273 1 20 ALA HA 1 77 TRP HE3 4.400 . 5.500 5.567 5.478 5.637 0.137 5 0 "[ . 1 . 2]" 1
274 1 20 ALA MB 1 21 LEU H 2.870 2.150 3.590 2.593 2.561 2.632 . 0 0 "[ . 1 . 2]" 1
275 1 20 ALA MB 1 77 TRP HE3 3.200 2.700 3.700 3.916 3.769 4.024 0.324 20 0 "[ . 1 . 2]" 1
276 1 20 ALA MB 1 77 TRP HH2 3.750 3.000 4.500 2.901 2.848 2.977 0.152 6 0 "[ . 1 . 2]" 1
277 1 20 ALA MB 1 77 TRP HZ3 2.350 . 2.700 2.158 2.068 2.199 . 0 0 "[ . 1 . 2]" 1
278 1 20 ALA MB 1 78 PHE QD 2.350 . 2.700 2.672 2.383 2.857 0.157 9 0 "[ . 1 . 2]" 1
279 1 20 ALA MB 1 78 PHE QE 2.750 2.400 3.100 2.915 2.425 3.229 0.129 10 0 "[ . 1 . 2]" 1
280 1 21 LEU H 1 21 LEU HA 2.660 2.170 3.330 2.784 2.779 2.790 . 0 0 "[ . 1 . 2]" 1
281 1 21 LEU H 1 21 LEU QB 2.270 . 2.840 2.158 2.132 2.180 . 0 0 "[ . 1 . 2]" 1
282 1 21 LEU H 1 21 LEU HG 3.080 2.310 3.850 4.292 4.242 4.333 0.483 20 0 "[ . 1 . 2]" 1
283 1 21 LEU H 1 22 ALA H 2.990 2.090 3.480 2.743 2.722 2.764 . 0 0 "[ . 1 . 2]" 1
284 1 21 LEU HA 1 21 LEU QD 2.570 . 3.210 2.179 2.165 2.197 . 0 0 "[ . 1 . 2]" 1
285 1 21 LEU HA 1 21 LEU HG 2.840 2.130 3.550 3.208 3.096 3.332 . 0 0 "[ . 1 . 2]" 1
286 1 21 LEU HA 1 22 ALA H 3.930 2.750 5.110 3.546 3.537 3.565 . 0 0 "[ . 1 . 2]" 1
287 1 21 LEU HA 1 24 GLU H 3.820 2.670 4.970 3.482 3.393 3.601 . 0 0 "[ . 1 . 2]" 1
288 1 21 LEU HA 1 24 GLU QB 2.700 . 3.380 2.891 2.789 2.990 . 0 0 "[ . 1 . 2]" 1
289 1 21 LEU QB 1 22 ALA H 2.720 2.150 3.400 2.465 2.429 2.516 . 0 0 "[ . 1 . 2]" 1
290 1 21 LEU QB 1 42 VAL MG1 3.760 2.820 4.700 3.392 3.132 3.529 . 0 0 "[ . 1 . 2]" 1
291 1 21 LEU QB 1 42 VAL MG2 3.530 2.650 4.410 3.423 3.246 3.539 . 0 0 "[ . 1 . 2]" 1
292 1 21 LEU QD 1 25 LEU HG 2.360 . 2.950 2.278 2.209 2.618 . 0 0 "[ . 1 . 2]" 1
293 1 21 LEU QD 1 71 TRP HD1 3.750 . 4.500 4.550 4.466 4.604 0.104 12 0 "[ . 1 . 2]" 1
294 1 21 LEU QD 1 71 TRP HE3 3.200 . 3.700 3.078 2.944 3.196 . 0 0 "[ . 1 . 2]" 1
295 1 21 LEU QD 1 71 TRP HZ3 3.750 . 4.500 3.430 3.127 3.671 . 0 0 "[ . 1 . 2]" 1
296 1 21 LEU QD 1 77 TRP HH2 4.400 . 5.500 3.137 3.067 3.194 . 0 0 "[ . 1 . 2]" 1
297 1 21 LEU HG 1 22 ALA H 3.270 2.450 4.090 3.304 3.156 3.451 . 0 0 "[ . 1 . 2]" 1
298 1 21 LEU HG 1 25 LEU QD 2.870 2.150 3.590 2.274 2.105 3.611 0.045 8 0 "[ . 1 . 2]" 1
299 1 21 LEU HG 1 25 LEU QD 2.330 . 2.910 2.228 2.097 2.994 0.084 16 0 "[ . 1 . 2]" 1
300 1 21 LEU HG 1 42 VAL MG1 3.290 2.470 4.110 3.694 3.197 3.951 . 0 0 "[ . 1 . 2]" 1
301 1 22 ALA H 1 22 ALA HA 2.600 . 3.250 2.844 2.838 2.847 . 0 0 "[ . 1 . 2]" 1
302 1 22 ALA H 1 22 ALA MB 2.320 . 2.900 2.226 2.189 2.252 . 0 0 "[ . 1 . 2]" 1
303 1 22 ALA H 1 42 VAL MG2 3.490 2.620 4.360 3.172 3.030 3.307 . 0 0 "[ . 1 . 2]" 1
304 1 22 ALA HA 1 22 ALA MB 2.270 . 2.500 2.143 2.136 2.151 . 0 0 "[ . 1 . 2]" 1
305 1 22 ALA HA 1 23 GLY H 3.240 2.650 4.050 3.546 3.533 3.563 . 0 0 "[ . 1 . 2]" 1
306 1 22 ALA HA 1 25 LEU QB 2.990 2.240 3.740 2.745 2.651 2.826 . 0 0 "[ . 1 . 2]" 1
307 1 22 ALA HA 1 25 LEU QD 3.850 2.890 4.810 2.895 2.784 4.111 0.106 10 0 "[ . 1 . 2]" 1
308 1 22 ALA HA 1 40 VAL MG1 3.080 2.310 3.850 2.836 2.689 2.969 . 0 0 "[ . 1 . 2]" 1
309 1 22 ALA HA 1 42 VAL MG2 2.640 . 2.640 2.635 2.501 2.760 0.120 8 0 "[ . 1 . 2]" 1
310 1 22 ALA MB 1 23 GLY H 2.860 2.140 3.580 2.622 2.559 2.685 . 0 0 "[ . 1 . 2]" 1
311 1 22 ALA MB 1 42 VAL HB 2.580 . 3.230 2.781 2.648 2.935 . 0 0 "[ . 1 . 2]" 1
312 1 22 ALA MB 1 42 VAL MG2 2.420 . 2.960 2.184 2.025 2.367 . 0 0 "[ . 1 . 2]" 1
313 1 23 GLY H 1 23 GLY QA 2.150 . 2.650 2.182 2.176 2.189 . 0 0 "[ . 1 . 2]" 1
314 1 23 GLY QA 1 24 GLU H 2.830 2.460 3.400 2.728 2.713 2.748 . 0 0 "[ . 1 . 2]" 1
315 1 24 GLU H 1 24 GLU HA 2.600 . 3.250 2.825 2.819 2.831 . 0 0 "[ . 1 . 2]" 1
316 1 24 GLU H 1 25 LEU H 2.720 2.060 3.540 2.675 2.657 2.709 . 0 0 "[ . 1 . 2]" 1
317 1 24 GLU HA 1 25 LEU H 4.100 2.870 5.330 3.536 3.519 3.552 . 0 0 "[ . 1 . 2]" 1
318 1 24 GLU HA 1 27 ARG H 3.070 2.300 3.840 3.708 3.609 3.823 . 0 0 "[ . 1 . 2]" 1
319 1 24 GLU HA 1 27 ARG QB 2.850 2.140 3.560 3.129 3.040 3.241 . 0 0 "[ . 1 . 2]" 1
320 1 25 LEU H 1 25 LEU HA 2.600 2.180 3.250 2.819 2.809 2.831 . 0 0 "[ . 1 . 2]" 1
321 1 25 LEU H 1 25 LEU QB 2.350 . 2.940 2.379 2.200 2.420 . 0 0 "[ . 1 . 2]" 1
322 1 25 LEU H 1 26 SER H 3.000 2.100 3.630 2.754 2.724 2.791 . 0 0 "[ . 1 . 2]" 1
323 1 25 LEU HA 1 25 LEU QD 3.010 2.260 3.650 2.140 1.982 2.165 0.278 16 0 "[ . 1 . 2]" 1
324 1 25 LEU HA 1 25 LEU HG 2.930 2.200 3.660 2.863 2.780 3.633 . 0 0 "[ . 1 . 2]" 1
325 1 25 LEU HA 1 26 SER H 3.210 2.410 4.010 3.545 3.530 3.558 . 0 0 "[ . 1 . 2]" 1
326 1 25 LEU QB 1 40 VAL MG1 3.040 . 3.800 2.215 2.165 2.254 . 0 0 "[ . 1 . 2]" 1
327 1 25 LEU QB 1 26 SER H 2.800 2.100 3.500 2.633 2.590 2.734 . 0 0 "[ . 1 . 2]" 1
328 1 25 LEU QB 1 40 VAL MG1 2.940 2.210 3.670 2.222 2.185 2.261 0.025 16 0 "[ . 1 . 2]" 1
329 1 25 LEU QD 1 67 LEU QB 2.680 . 3.350 2.755 2.683 2.826 . 0 0 "[ . 1 . 2]" 1
330 1 25 LEU QD 1 67 LEU QD 2.240 . 2.800 1.992 1.923 2.097 . 0 0 "[ . 1 . 2]" 1
331 1 25 LEU QD 1 67 LEU HG 3.160 . 3.950 4.085 4.022 4.181 0.231 5 0 "[ . 1 . 2]" 1
332 1 25 LEU QD 1 67 LEU HA . 2.590 2.880 2.829 2.642 2.959 0.079 11 0 "[ . 1 . 2]" 1
333 1 26 SER H 1 26 SER HA . . 2.950 2.818 2.813 2.824 . 0 0 "[ . 1 . 2]" 1
334 1 26 SER H 1 27 ARG H 2.770 . 3.600 2.799 2.767 2.826 . 0 0 "[ . 1 . 2]" 1
335 1 26 SER HA 1 40 VAL HB 3.200 . 4.000 2.975 2.616 3.462 . 0 0 "[ . 1 . 2]" 1
336 1 26 SER HA 1 40 VAL MG2 2.830 . 3.540 2.265 2.185 2.392 . 0 0 "[ . 1 . 2]" 1
337 1 26 SER HA 1 40 VAL MG2 4.500 . 4.500 2.316 2.219 2.446 . 0 0 "[ . 1 . 2]" 1
338 1 27 ARG H 1 28 ARG H 2.850 . 3.710 2.704 2.653 2.764 . 0 0 "[ . 1 . 2]" 1
339 1 27 ARG HA 1 30 GLN QB 3.160 2.370 3.910 2.859 2.693 2.945 . 0 0 "[ . 1 . 2]" 1
340 1 27 ARG HA 1 30 GLN QG 3.950 2.960 4.940 4.368 3.694 4.978 0.038 16 0 "[ . 1 . 2]" 1
341 1 27 ARG QB 1 28 ARG H 3.150 2.360 3.630 2.589 2.538 2.618 . 0 0 "[ . 1 . 2]" 1
342 1 28 ARG H 1 29 ILE H 2.790 . 3.630 2.654 2.614 2.690 . 0 0 "[ . 1 . 2]" 1
343 1 28 ARG HA 1 28 ARG QB 2.370 . 2.940 2.391 2.334 2.422 . 0 0 "[ . 1 . 2]" 1
344 1 28 ARG HA 1 29 ILE H 4.500 2.550 4.500 3.526 3.505 3.547 . 0 0 "[ . 1 . 2]" 1
345 1 28 ARG HA 1 31 TYR H . 2.320 4.320 3.653 3.542 3.759 . 0 0 "[ . 1 . 2]" 1
346 1 28 ARG HA 1 31 TYR QB . 2.250 3.750 3.014 2.801 3.154 . 0 0 "[ . 1 . 2]" 1
347 1 28 ARG QB 1 66 ILE MD 2.290 . 2.860 2.295 2.018 3.076 0.216 17 0 "[ . 1 . 2]" 1
348 1 29 ILE H 1 29 ILE HA 2.620 . 3.280 2.831 2.816 2.854 . 0 0 "[ . 1 . 2]" 1
349 1 29 ILE H 1 29 ILE HB 2.230 . 2.790 2.381 2.324 2.424 . 0 0 "[ . 1 . 2]" 1
350 1 29 ILE H 1 29 ILE MD 3.870 2.900 4.840 3.628 3.434 3.812 . 0 0 "[ . 1 . 2]" 1
351 1 29 ILE H 1 29 ILE QG 2.740 2.120 3.340 2.326 2.248 2.418 . 0 0 "[ . 1 . 2]" 1
352 1 29 ILE H 1 29 ILE MG 4.150 3.110 5.190 3.739 3.709 3.757 . 0 0 "[ . 1 . 2]" 1
353 1 29 ILE H 1 30 GLN H 2.480 . 3.220 2.683 2.631 2.727 . 0 0 "[ . 1 . 2]" 1
354 1 29 ILE HA 1 29 ILE HB 2.690 2.020 3.120 3.017 3.010 3.021 . 0 0 "[ . 1 . 2]" 1
355 1 29 ILE HA 1 29 ILE MD 2.860 2.140 3.580 2.162 2.067 2.290 0.073 1 0 "[ . 1 . 2]" 1
356 1 29 ILE HA 1 29 ILE QG 2.730 2.160 3.410 2.712 2.569 2.855 . 0 0 "[ . 1 . 2]" 1
357 1 29 ILE HA 1 29 ILE MG 2.850 2.140 3.560 2.445 2.388 2.483 . 0 0 "[ . 1 . 2]" 1
358 1 29 ILE HA 1 30 GLN H 3.220 2.410 4.030 3.529 3.511 3.539 . 0 0 "[ . 1 . 2]" 1
359 1 29 ILE HA 1 32 ALA MB 2.440 . 3.050 2.664 2.463 2.907 . 0 0 "[ . 1 . 2]" 1
360 1 29 ILE HA 1 33 PHE QD 3.200 2.700 3.700 2.954 2.789 3.069 . 0 0 "[ . 1 . 2]" 1
361 1 29 ILE HB 1 29 ILE MD 3.190 2.390 3.990 3.227 3.189 3.245 . 0 0 "[ . 1 . 2]" 1
362 1 29 ILE HB 1 29 ILE MG 2.390 . 2.990 2.140 2.133 2.148 . 0 0 "[ . 1 . 2]" 1
363 1 29 ILE HB 1 30 GLN H 2.790 2.090 3.490 2.583 2.484 2.669 . 0 0 "[ . 1 . 2]" 1
364 1 29 ILE HB 1 33 PHE QD 4.400 3.300 5.500 4.952 4.833 5.098 . 0 0 "[ . 1 . 2]" 1
365 1 29 ILE HB 1 40 VAL MG2 3.470 2.600 4.340 3.278 3.187 3.392 . 0 0 "[ . 1 . 2]" 1
366 1 29 ILE QG 1 40 VAL MG1 3.080 2.310 3.850 3.883 3.702 3.958 0.108 15 0 "[ . 1 . 2]" 1
367 1 29 ILE MG 1 30 GLN HA 3.580 2.690 4.470 3.282 3.240 3.381 . 0 0 "[ . 1 . 2]" 1
368 1 29 ILE MG 1 33 PHE QB 3.650 2.740 4.560 2.957 2.878 3.060 . 0 0 "[ . 1 . 2]" 1
369 1 29 ILE MG 1 33 PHE QD 2.350 . 2.700 2.394 2.280 2.609 . 0 0 "[ . 1 . 2]" 1
370 1 30 GLN H 1 30 GLN HA 2.510 . 3.140 2.860 2.849 2.873 . 0 0 "[ . 1 . 2]" 1
371 1 30 GLN H 1 30 GLN QB 2.360 . 2.950 2.324 2.242 2.408 . 0 0 "[ . 1 . 2]" 1
372 1 30 GLN H 1 30 GLN QG 3.480 2.610 4.290 3.218 2.410 4.052 0.200 13 0 "[ . 1 . 2]" 1
373 1 30 GLN H 1 31 TYR H 2.810 . 3.480 2.783 2.744 2.814 . 0 0 "[ . 1 . 2]" 1
374 1 30 GLN HA 1 30 GLN QB 2.440 . 3.050 2.398 2.326 2.429 . 0 0 "[ . 1 . 2]" 1
375 1 30 GLN HA 1 30 GLN QG 3.270 2.460 4.090 2.397 2.329 2.780 0.131 14 0 "[ . 1 . 2]" 1
376 1 30 GLN HA 1 31 TYR H 3.570 2.680 4.460 3.583 3.563 3.596 . 0 0 "[ . 1 . 2]" 1
377 1 30 GLN HA 1 33 PHE H 3.500 2.450 4.550 3.388 3.306 3.448 . 0 0 "[ . 1 . 2]" 1
378 1 30 GLN HA 1 34 PRO HA 3.420 2.560 4.280 4.371 4.303 4.428 0.148 20 0 "[ . 1 . 2]" 1
379 1 30 GLN QB 1 31 TYR H 2.910 2.190 3.640 2.687 2.616 2.745 . 0 0 "[ . 1 . 2]" 1
380 1 31 TYR H 1 31 TYR HA 2.600 . 3.250 2.832 2.823 2.844 . 0 0 "[ . 1 . 2]" 1
381 1 31 TYR H 1 31 TYR QB 2.390 . 2.990 2.270 2.205 2.319 . 0 0 "[ . 1 . 2]" 1
382 1 31 TYR HA 1 31 TYR QB 2.030 . 2.540 2.391 2.344 2.493 . 0 0 "[ . 1 . 2]" 1
383 1 31 TYR HA 1 31 TYR QD 3.200 2.700 3.700 2.810 2.526 3.010 0.174 8 0 "[ . 1 . 2]" 1
384 1 31 TYR HA 1 32 ALA H 3.440 2.740 4.300 3.535 3.523 3.542 . 0 0 "[ . 1 . 2]" 1
385 1 31 TYR QB 1 31 TYR QD 2.350 . 2.700 2.160 2.145 2.201 . 0 0 "[ . 1 . 2]" 1
386 1 31 TYR QB 1 32 ALA H 2.860 2.150 3.570 2.665 2.618 2.753 . 0 0 "[ . 1 . 2]" 1
387 1 32 ALA H 1 32 ALA HA 2.690 2.020 3.360 2.842 2.837 2.848 . 0 0 "[ . 1 . 2]" 1
388 1 32 ALA H 1 32 ALA MB 2.390 . 2.990 2.201 2.167 2.232 . 0 0 "[ . 1 . 2]" 1
389 1 32 ALA H 1 33 PHE H 2.350 . 3.060 2.564 2.538 2.584 . 0 0 "[ . 1 . 2]" 1
390 1 32 ALA HA 1 32 ALA MB 1.980 . 2.470 2.131 2.126 2.138 . 0 0 "[ . 1 . 2]" 1
391 1 32 ALA HA 1 33 PHE H 3.530 2.650 4.410 3.521 3.508 3.532 . 0 0 "[ . 1 . 2]" 1
392 1 32 ALA MB 1 33 PHE H 3.270 2.450 3.580 2.604 2.555 2.645 . 0 0 "[ . 1 . 2]" 1
393 1 32 ALA MB 1 33 PHE QD 2.350 . 2.700 2.357 2.261 2.549 . 0 0 "[ . 1 . 2]" 1
394 1 32 ALA MB 1 33 PHE QE 3.200 2.700 3.700 2.801 2.667 3.005 0.033 3 0 "[ . 1 . 2]" 1
395 1 33 PHE H 1 33 PHE HA 2.740 2.120 3.420 2.978 2.974 2.982 . 0 0 "[ . 1 . 2]" 1
396 1 33 PHE H 1 34 PRO QD 3.310 2.480 4.090 3.452 3.399 3.532 . 0 0 "[ . 1 . 2]" 1
397 1 33 PHE HA 1 33 PHE QD 3.200 2.700 3.700 2.793 2.657 2.926 0.043 12 0 "[ . 1 . 2]" 1
398 1 33 PHE HA 1 34 PRO QD 2.320 . 2.540 2.116 2.106 2.123 . 0 0 "[ . 1 . 2]" 1
399 1 33 PHE QD 1 34 PRO QD 4.400 3.300 5.500 4.115 3.993 4.227 . 0 0 "[ . 1 . 2]" 1
400 1 33 PHE QD 1 36 ASN QB 4.400 3.300 5.500 3.319 3.215 3.563 0.085 7 0 "[ . 1 . 2]" 1
401 1 33 PHE QD 1 63 ILE MD 4.400 3.300 5.500 4.524 4.300 5.035 . 0 0 "[ . 1 . 2]" 1
402 1 33 PHE QE 1 63 ILE MD 3.750 3.000 4.500 3.135 2.968 3.624 0.032 12 0 "[ . 1 . 2]" 1
403 1 33 PHE HZ 1 63 ILE MD 3.750 3.000 4.500 3.451 3.022 3.865 . 0 0 "[ . 1 . 2]" 1
404 1 34 PRO HA 1 35 ASP H 2.650 . 3.310 3.489 3.470 3.505 0.195 1 0 "[ . 1 . 2]" 1
405 1 34 PRO HA 1 36 ASN H 3.670 2.750 4.590 4.286 4.235 4.320 . 0 0 "[ . 1 . 2]" 1
406 1 35 ASP H 1 35 ASP QB 2.820 2.180 3.520 2.454 2.294 2.746 . 0 0 "[ . 1 . 2]" 1
407 1 35 ASP H 1 36 ASN H 2.390 . 3.000 2.566 2.531 2.599 . 0 0 "[ . 1 . 2]" 1
408 1 35 ASP HA 1 35 ASP QB 2.550 . 3.060 2.312 2.168 2.408 . 0 0 "[ . 1 . 2]" 1
409 1 35 ASP HA 1 36 ASN H 4.500 . 4.500 3.461 3.422 3.489 . 0 0 "[ . 1 . 2]" 1
410 1 36 ASN H 1 36 ASN HA 2.730 2.050 3.110 2.978 2.972 2.984 . 0 0 "[ . 1 . 2]" 1
411 1 36 ASN H 1 36 ASN QB 2.620 . 3.270 2.530 2.461 2.620 . 0 0 "[ . 1 . 2]" 1
412 1 36 ASN HA 1 36 ASN QB 2.580 . 3.220 2.352 2.311 2.396 . 0 0 "[ . 1 . 2]" 1
413 1 36 ASN HA 1 37 GLU H 2.160 . 2.810 2.336 2.316 2.348 . 0 0 "[ . 1 . 2]" 1
414 1 36 ASN HA 1 37 GLU HA 3.400 . 4.250 4.443 4.425 4.465 0.215 5 0 "[ . 1 . 2]" 1
415 1 37 GLU H 1 37 GLU HA 3.260 2.280 4.240 2.791 2.780 2.799 . 0 0 "[ . 1 . 2]" 1
416 1 37 GLU HA 1 37 GLU QB 2.870 2.150 2.920 2.341 2.156 2.394 . 0 0 "[ . 1 . 2]" 1
417 1 37 GLU HA 1 37 GLU QG 3.040 2.750 3.800 2.603 2.457 3.321 0.293 20 0 "[ . 1 . 2]" 1
418 1 37 GLU HA 1 38 GLY H 2.190 . 2.740 2.217 2.203 2.228 . 0 0 "[ . 1 . 2]" 1
419 1 38 GLY H 1 38 GLY QA 2.450 2.090 2.580 2.424 2.414 2.433 . 0 0 "[ . 1 . 2]" 1
420 1 38 GLY H 1 39 HIS H 3.690 2.580 4.800 4.496 4.468 4.520 . 0 0 "[ . 1 . 2]" 1
421 1 38 GLY QA 1 39 HIS H 2.570 2.010 3.040 2.310 2.294 2.320 . 0 0 "[ . 1 . 2]" 1
422 1 38 GLY QA 1 40 VAL MG2 3.380 2.540 3.540 3.814 3.745 3.865 0.325 14 0 "[ . 1 . 2]" 1
423 1 39 HIS H 1 39 HIS HA 2.470 . 3.210 2.955 2.950 2.962 . 0 0 "[ . 1 . 2]" 1
424 1 39 HIS H 1 39 HIS QB 2.860 2.150 3.570 2.444 2.418 2.519 . 0 0 "[ . 1 . 2]" 1
425 1 39 HIS HA 1 39 HIS QB 2.440 . 3.050 2.383 2.353 2.425 . 0 0 "[ . 1 . 2]" 1
426 1 39 HIS HA 1 40 VAL H 2.080 . 2.600 2.236 2.226 2.247 . 0 0 "[ . 1 . 2]" 1
427 1 40 VAL H 1 40 VAL HA 2.010 . 2.610 2.943 2.936 2.947 0.337 8 0 "[ . 1 . 2]" 1
428 1 40 VAL H 1 40 VAL HB 2.500 . 3.130 2.518 2.488 2.567 . 0 0 "[ . 1 . 2]" 1
429 1 40 VAL H 1 40 VAL MG1 2.930 2.200 3.660 3.787 3.775 3.801 0.141 4 0 "[ . 1 . 2]" 1
430 1 40 VAL H 1 40 VAL MG2 3.100 2.330 3.870 2.504 2.364 2.581 . 0 0 "[ . 1 . 2]" 1
431 1 40 VAL HA 1 40 VAL HB 2.530 . 3.160 3.019 3.013 3.023 . 0 0 "[ . 1 . 2]" 1
432 1 40 VAL HA 1 40 VAL MG1 2.640 . 3.300 2.288 2.255 2.323 . 0 0 "[ . 1 . 2]" 1
433 1 40 VAL HA 1 40 VAL MG2 2.720 2.040 3.400 2.375 2.301 2.432 . 0 0 "[ . 1 . 2]" 1
434 1 40 VAL HB 1 40 VAL MG1 2.370 . 2.960 2.143 2.139 2.147 . 0 0 "[ . 1 . 2]" 1
435 1 40 VAL HB 1 40 VAL MG2 2.390 . 2.990 2.155 2.151 2.159 . 0 0 "[ . 1 . 2]" 1
436 1 41 SER H 1 41 SER HA 2.560 . 3.160 2.966 2.960 2.971 . 0 0 "[ . 1 . 2]" 1
437 1 41 SER H 1 41 SER QB 2.990 2.240 3.740 2.584 2.543 2.644 . 0 0 "[ . 1 . 2]" 1
438 1 41 SER HA 1 41 SER QB 2.310 . 2.890 2.365 2.310 2.416 . 0 0 "[ . 1 . 2]" 1
439 1 41 SER HA 1 42 VAL H 1.810 . 2.260 2.183 2.171 2.204 . 0 0 "[ . 1 . 2]" 1
440 1 41 SER QB 1 42 VAL H 3.170 2.380 3.960 3.355 2.893 3.605 . 0 0 "[ . 1 . 2]" 1
441 1 42 VAL H 1 42 VAL HA 2.890 2.250 3.610 2.956 2.952 2.960 . 0 0 "[ . 1 . 2]" 1
442 1 42 VAL H 1 42 VAL HB . . 3.300 2.777 2.725 2.842 . 0 0 "[ . 1 . 2]" 1
443 1 42 VAL H 1 42 VAL MG2 3.060 2.300 3.820 2.760 2.661 2.870 . 0 0 "[ . 1 . 2]" 1
444 1 42 VAL HA 1 42 VAL HB 2.750 2.060 3.440 3.036 3.024 3.042 . 0 0 "[ . 1 . 2]" 1
445 1 42 VAL HA 1 42 VAL MG1 2.710 2.030 3.390 2.313 2.237 2.359 . 0 0 "[ . 1 . 2]" 1
446 1 42 VAL HA 1 42 VAL MG2 2.790 2.090 3.490 2.478 2.421 2.509 . 0 0 "[ . 1 . 2]" 1
447 1 42 VAL HA 1 43 ARG H 1.960 . 2.450 2.132 2.114 2.148 . 0 0 "[ . 1 . 2]" 1
448 1 42 VAL HB 1 42 VAL MG1 2.280 . 2.850 2.146 2.143 2.150 . 0 0 "[ . 1 . 2]" 1
449 1 42 VAL HB 1 42 VAL MG2 2.310 . 2.890 2.146 2.140 2.151 . 0 0 "[ . 1 . 2]" 1
450 1 42 VAL MG1 1 43 ARG H 2.880 2.160 3.600 2.665 2.626 2.707 . 0 0 "[ . 1 . 2]" 1
451 1 43 ARG HA 1 43 ARG QB 2.370 . 2.960 2.281 2.185 2.339 . 0 0 "[ . 1 . 2]" 1
452 1 43 ARG HA 1 44 TYR H . . 2.800 2.382 2.343 2.416 . 0 0 "[ . 1 . 2]" 1
453 1 44 TYR H 1 44 TYR HA 2.730 2.190 3.410 2.933 2.923 2.941 . 0 0 "[ . 1 . 2]" 1
454 1 44 TYR H 1 44 TYR QD 3.040 2.130 3.950 2.854 2.317 3.275 . 0 0 "[ . 1 . 2]" 1
455 1 44 TYR H 1 45 ALA H 3.900 2.730 5.070 4.575 4.555 4.591 . 0 0 "[ . 1 . 2]" 1
456 1 44 TYR HA 1 44 TYR QB 2.700 2.020 2.940 2.395 2.341 2.440 . 0 0 "[ . 1 . 2]" 1
457 1 44 TYR HA 1 44 TYR QD 2.350 . 2.700 2.518 2.313 2.891 0.191 11 0 "[ . 1 . 2]" 1
458 1 44 TYR HA 1 45 ALA H 1.890 . 2.360 2.158 2.133 2.174 . 0 0 "[ . 1 . 2]" 1
459 1 44 TYR QB 1 44 TYR QD 2.350 . 2.700 2.158 2.132 2.175 . 0 0 "[ . 1 . 2]" 1
460 1 44 TYR HB3 1 44 TYR QD 2.350 . 2.700 2.550 2.379 2.667 . 0 0 "[ . 1 . 2]" 1
461 1 44 TYR QD 1 45 ALA H 3.270 2.290 4.250 3.621 3.366 3.917 . 0 0 "[ . 1 . 2]" 1
462 1 45 ALA H 1 45 ALA HA 2.780 2.090 3.470 2.938 2.930 2.943 . 0 0 "[ . 1 . 2]" 1
463 1 45 ALA H 1 45 ALA MB 3.270 2.450 4.090 2.631 2.602 2.656 . 0 0 "[ . 1 . 2]" 1
464 1 45 ALA HA 1 45 ALA MB 1.930 . 2.410 2.142 2.136 2.147 . 0 0 "[ . 1 . 2]" 1
465 1 45 ALA MB 1 47 ALA H 3.200 2.400 3.380 2.492 2.439 2.539 . 0 0 "[ . 1 . 2]" 1
466 1 46 ALA HA 1 46 ALA MB 2.130 . 2.340 2.149 2.141 2.157 . 0 0 "[ . 1 . 2]" 1
467 1 46 ALA HA 1 47 ALA H 3.220 2.250 4.190 3.500 3.485 3.512 . 0 0 "[ . 1 . 2]" 1
468 1 46 ALA MB 1 47 ALA H 3.050 2.290 3.480 2.887 2.857 2.922 . 0 0 "[ . 1 . 2]" 1
469 1 47 ALA H 1 47 ALA HA 2.730 2.050 3.410 2.957 2.948 2.962 . 0 0 "[ . 1 . 2]" 1
470 1 47 ALA H 1 47 ALA MB 2.600 . 3.250 2.597 2.554 2.626 . 0 0 "[ . 1 . 2]" 1
471 1 47 ALA HA 1 47 ALA MB 1.720 . 2.150 2.136 2.130 2.141 . 0 0 "[ . 1 . 2]" 1
472 1 47 ALA HA 1 48 ASN H 2.010 . 2.510 2.268 2.254 2.286 . 0 0 "[ . 1 . 2]" 1
473 1 47 ALA MB 1 48 ASN H 2.520 . 3.150 2.630 2.567 2.694 . 0 0 "[ . 1 . 2]" 1
474 1 48 ASN H 1 48 ASN HA 2.790 2.140 3.490 2.887 2.883 2.896 . 0 0 "[ . 1 . 2]" 1
475 1 48 ASN H 1 48 ASN QB 2.440 . 3.050 2.343 2.248 2.622 . 0 0 "[ . 1 . 2]" 1
476 1 48 ASN HA 1 48 ASN QB 2.650 . 2.970 2.346 2.185 2.444 . 0 0 "[ . 1 . 2]" 1
477 1 48 ASN HA 1 49 ASN H 1.950 . 2.440 2.206 2.187 2.230 . 0 0 "[ . 1 . 2]" 1
478 1 49 ASN H 1 49 ASN HA 2.730 2.270 3.410 2.921 2.916 2.926 . 0 0 "[ . 1 . 2]" 1
479 1 49 ASN H 1 49 ASN QB 3.190 2.460 3.680 2.785 2.736 2.837 . 0 0 "[ . 1 . 2]" 1
480 1 49 ASN HA 1 49 ASN QB 2.520 . 2.810 2.387 2.345 2.449 . 0 0 "[ . 1 . 2]" 1
481 1 49 ASN HA 1 50 LEU H 1.860 . 2.320 2.272 2.257 2.291 . 0 0 "[ . 1 . 2]" 1
482 1 49 ASN QB 1 50 LEU H 3.880 2.720 5.040 3.068 2.716 3.510 0.004 14 0 "[ . 1 . 2]" 1
483 1 50 LEU H 1 50 LEU HA 2.970 2.410 3.710 2.964 2.960 2.968 . 0 0 "[ . 1 . 2]" 1
484 1 50 LEU H 1 50 LEU QB 2.650 2.270 3.310 2.500 2.479 2.537 . 0 0 "[ . 1 . 2]" 1
485 1 50 LEU HA 1 50 LEU QD 2.560 . 3.200 2.245 2.103 3.058 . 0 0 "[ . 1 . 2]" 1
486 1 50 LEU HA 1 50 LEU HG 3.000 2.250 3.750 2.902 2.362 3.097 . 0 0 "[ . 1 . 2]" 1
487 1 50 LEU HA 1 51 SER H 1.830 . 2.290 2.238 2.230 2.249 . 0 0 "[ . 1 . 2]" 1
488 1 50 LEU QB 1 50 LEU QD 3.120 2.340 3.900 1.938 1.916 1.953 0.424 17 0 "[ . 1 . 2]" 1
489 1 50 LEU QD 1 51 SER H 2.810 2.110 3.510 2.758 2.384 3.377 . 0 0 "[ . 1 . 2]" 1
490 1 50 LEU QD 1 64 SER HA 4.500 . 4.500 2.987 2.892 3.097 . 0 0 "[ . 1 . 2]" 1
491 1 50 LEU QD 1 64 SER HA 2.690 . 3.360 3.109 2.935 3.356 . 0 0 "[ . 1 . 2]" 1
492 1 50 LEU HG 1 52 VAL MG2 2.690 2.020 3.360 2.786 2.633 3.395 0.035 17 0 "[ . 1 . 2]" 1
493 1 51 SER H 1 51 SER HA 2.630 2.140 3.290 2.972 2.969 2.977 . 0 0 "[ . 1 . 2]" 1
494 1 51 SER H 1 51 SER QB 2.970 2.230 3.470 2.610 2.429 3.090 . 0 0 "[ . 1 . 2]" 1
495 1 51 SER HA 1 51 SER QB 2.670 2.050 3.340 2.317 2.176 2.404 . 0 0 "[ . 1 . 2]" 1
496 1 51 SER HA 1 52 VAL H 1.940 . 2.430 2.207 2.194 2.216 . 0 0 "[ . 1 . 2]" 1
497 1 52 VAL H 1 52 VAL HA . 2.350 2.680 2.952 2.947 2.957 0.277 10 0 "[ . 1 . 2]" 1
498 1 52 VAL H 1 52 VAL HB . 2.020 3.740 2.657 2.606 2.683 . 0 0 "[ . 1 . 2]" 1
499 1 52 VAL H 1 52 VAL MG1 3.770 2.830 4.710 3.851 3.823 3.868 . 0 0 "[ . 1 . 2]" 1
500 1 52 VAL H 1 52 VAL MG2 3.340 2.500 4.180 2.817 2.721 2.894 . 0 0 "[ . 1 . 2]" 1
501 1 52 VAL HA 1 52 VAL MG1 2.870 2.150 3.590 2.330 2.284 2.376 . 0 0 "[ . 1 . 2]" 1
502 1 52 VAL HA 1 52 VAL MG2 2.690 2.020 3.360 2.328 2.277 2.396 . 0 0 "[ . 1 . 2]" 1
503 1 52 VAL HA 1 53 ILE H 1.850 . 2.310 2.197 2.173 2.206 . 0 0 "[ . 1 . 2]" 1
504 1 52 VAL HB 1 52 VAL MG1 2.370 . 2.960 2.148 2.142 2.154 . 0 0 "[ . 1 . 2]" 1
505 1 52 VAL HB 1 52 VAL MG2 2.250 . 2.810 2.150 2.141 2.156 . 0 0 "[ . 1 . 2]" 1
506 1 52 VAL MG1 1 53 ILE H 3.100 2.330 3.870 2.718 2.650 2.764 . 0 0 "[ . 1 . 2]" 1
507 1 52 VAL MG1 1 55 ALA MB 2.240 . 2.800 1.957 1.860 2.130 . 0 0 "[ . 1 . 2]" 1
508 1 52 VAL MG1 1 60 LYS HA 3.190 2.390 3.990 3.649 3.492 3.877 . 0 0 "[ . 1 . 2]" 1
509 1 52 VAL MG1 1 60 LYS QG 3.180 2.380 3.980 3.212 2.362 3.838 0.018 2 0 "[ . 1 . 2]" 1
510 1 52 VAL MG2 1 53 ILE H 3.790 2.840 4.740 4.052 4.015 4.107 . 0 0 "[ . 1 . 2]" 1
511 1 52 VAL MG2 1 55 ALA MB 3.080 2.310 3.850 3.855 3.744 4.056 0.206 17 0 "[ . 1 . 2]" 1
512 1 52 VAL MG2 1 60 LYS HA 3.500 2.630 3.540 3.475 3.282 3.617 0.077 17 0 "[ . 1 . 2]" 1
513 1 52 VAL MG2 1 60 LYS QG 3.340 2.500 4.180 2.668 2.469 2.970 0.031 12 0 "[ . 1 . 2]" 1
514 1 52 VAL MG2 1 63 ILE HB 3.410 2.560 4.260 3.675 3.439 3.984 . 0 0 "[ . 1 . 2]" 1
515 1 52 VAL MG2 1 63 ILE MD 2.850 2.140 3.560 2.799 2.571 3.067 . 0 0 "[ . 1 . 2]" 1
516 1 53 ILE H 1 53 ILE HA 2.540 2.070 3.180 2.972 2.964 2.976 . 0 0 "[ . 1 . 2]" 1
517 1 53 ILE H 1 53 ILE HB 2.460 . 3.080 2.613 2.537 2.742 . 0 0 "[ . 1 . 2]" 1
518 1 53 ILE H 1 53 ILE QG 3.380 2.710 4.230 2.885 2.676 3.510 0.034 13 0 "[ . 1 . 2]" 1
519 1 53 ILE H 1 53 ILE MG 3.730 2.800 4.660 3.840 3.798 3.890 . 0 0 "[ . 1 . 2]" 1
520 1 53 ILE HA 1 53 ILE HB 3.150 2.360 3.370 3.030 3.025 3.038 . 0 0 "[ . 1 . 2]" 1
521 1 53 ILE HA 1 53 ILE MD 3.050 2.570 3.810 3.520 2.380 3.872 0.190 11 0 "[ . 1 . 2]" 1
522 1 53 ILE HA 1 53 ILE QG . 2.560 3.340 2.488 2.402 2.686 0.158 16 0 "[ . 1 . 2]" 1
523 1 53 ILE HA 1 53 ILE MG 2.190 2.120 2.740 2.306 2.272 2.346 . 0 0 "[ . 1 . 2]" 1
524 1 53 ILE HB 1 53 ILE MD 2.740 2.060 3.420 2.411 2.208 3.190 . 0 0 "[ . 1 . 2]" 1
525 1 53 ILE HB 1 53 ILE MG 2.140 . 2.670 2.144 2.134 2.154 . 0 0 "[ . 1 . 2]" 1
526 1 55 ALA H 1 55 ALA HA 2.970 2.610 3.710 2.965 2.801 2.977 . 0 0 "[ . 1 . 2]" 1
527 1 55 ALA H 1 55 ALA MB 2.890 2.170 3.610 2.528 2.497 2.887 . 0 0 "[ . 1 . 2]" 1
528 1 55 ALA HA 1 55 ALA MB 1.910 . 2.390 2.132 2.122 2.144 . 0 0 "[ . 1 . 2]" 1
529 1 55 ALA HA 1 56 THR H 2.040 . 2.550 2.311 2.293 2.334 . 0 0 "[ . 1 . 2]" 1
530 1 55 ALA HA 1 56 THR MG 3.520 2.640 4.400 3.322 3.212 3.534 . 0 0 "[ . 1 . 2]" 1
531 1 55 ALA MB 1 56 THR H 2.780 2.080 3.330 2.443 2.387 2.493 . 0 0 "[ . 1 . 2]" 1
532 1 55 ALA MB 1 59 ASP QB 2.660 2.260 3.330 2.401 2.253 3.242 0.007 4 0 "[ . 1 . 2]" 1
533 1 55 ALA MB 1 60 LYS H 3.500 2.620 4.380 3.651 3.471 3.782 . 0 0 "[ . 1 . 2]" 1
534 1 55 ALA MB 1 63 ILE MD 3.470 2.600 4.340 3.211 3.058 3.509 . 0 0 "[ . 1 . 2]" 1
535 1 56 THR H 1 56 THR HA 2.740 2.050 3.430 2.962 2.955 2.973 . 0 0 "[ . 1 . 2]" 1
536 1 56 THR H 1 56 THR MG 2.420 . 2.880 2.298 2.178 2.531 . 0 0 "[ . 1 . 2]" 1
537 1 56 THR H 1 59 ASP QB 2.870 2.150 3.420 2.433 2.302 3.584 0.164 19 0 "[ . 1 . 2]" 1
538 1 56 THR HA 1 56 THR HB 2.010 . 2.500 2.403 2.335 2.463 . 0 0 "[ . 1 . 2]" 1
539 1 56 THR HA 1 56 THR MG 2.540 . 2.610 2.389 2.313 2.454 . 0 0 "[ . 1 . 2]" 1
540 1 56 THR HA 1 57 LYS H 2.890 2.020 3.760 2.240 2.211 2.260 . 0 0 "[ . 1 . 2]" 1
541 1 56 THR HA 1 57 LYS H 2.580 . 3.220 2.234 2.205 2.253 . 0 0 "[ . 1 . 2]" 1
542 1 56 THR HB 1 56 THR MG 1.900 . 2.380 2.146 2.141 2.152 . 0 0 "[ . 1 . 2]" 1
543 1 56 THR HB 1 57 LYS QB 3.370 2.570 4.210 4.218 4.106 4.446 0.236 15 0 "[ . 1 . 2]" 1
544 1 57 LYS H 1 57 LYS HA 3.140 2.510 3.920 2.775 2.767 2.780 . 0 0 "[ . 1 . 2]" 1
545 1 57 LYS H 1 57 LYS QB 3.020 2.510 3.770 2.426 2.270 2.512 0.240 16 0 "[ . 1 . 2]" 1
546 1 57 LYS HA 1 57 LYS QB 2.610 . 3.130 2.359 2.185 2.381 . 0 0 "[ . 1 . 2]" 1
547 1 57 LYS HA 1 57 LYS QG 3.690 2.770 4.360 2.528 2.435 3.306 0.335 14 0 "[ . 1 . 2]" 1
548 1 57 LYS HA 1 58 GLU H 3.940 2.760 5.120 3.613 3.602 3.628 . 0 0 "[ . 1 . 2]" 1
549 1 57 LYS HA 1 60 LYS H 3.280 2.460 4.100 3.428 3.313 3.727 . 0 0 "[ . 1 . 2]" 1
550 1 57 LYS QB 1 58 GLU H 2.910 2.180 3.640 2.702 2.608 3.462 . 0 0 "[ . 1 . 2]" 1
551 1 58 GLU H 1 58 GLU HA 2.680 2.010 3.350 2.848 2.838 2.857 . 0 0 "[ . 1 . 2]" 1
552 1 58 GLU H 1 58 GLU QB 2.780 2.090 3.190 2.259 2.218 2.391 . 0 0 "[ . 1 . 2]" 1
553 1 58 GLU H 1 58 GLU QG 3.590 2.690 4.210 3.368 2.495 4.021 0.195 17 0 "[ . 1 . 2]" 1
554 1 58 GLU H 1 59 ASP H 2.620 . 3.410 2.594 2.553 2.710 . 0 0 "[ . 1 . 2]" 1
555 1 58 GLU HA 1 58 GLU QG 2.900 2.170 3.400 2.405 2.277 2.747 . 0 0 "[ . 1 . 2]" 1
556 1 58 GLU HA 1 59 ASP H 3.660 2.560 4.760 3.543 3.528 3.588 . 0 0 "[ . 1 . 2]" 1
557 1 58 GLU HA 1 59 ASP H 2.940 . 3.670 3.030 2.995 3.060 . 0 0 "[ . 1 . 2]" 1
558 1 58 GLU QB 1 59 ASP H 2.840 2.410 3.550 2.672 2.606 2.755 . 0 0 "[ . 1 . 2]" 1
559 1 59 ASP H 1 59 ASP HA 2.680 2.020 3.350 2.827 2.824 2.835 . 0 0 "[ . 1 . 2]" 1
560 1 59 ASP H 1 59 ASP QB 2.520 2.140 3.150 2.370 2.317 2.649 . 0 0 "[ . 1 . 2]" 1
561 1 59 ASP H 1 60 LYS H 2.730 . 3.550 2.553 2.535 2.572 . 0 0 "[ . 1 . 2]" 1
562 1 59 ASP HA 1 59 ASP QB 2.590 . 3.150 2.402 2.183 2.424 . 0 0 "[ . 1 . 2]" 1
563 1 59 ASP HA 1 62 ARG H 3.390 2.370 4.410 3.515 3.449 3.584 . 0 0 "[ . 1 . 2]" 1
564 1 59 ASP HA 1 62 ARG QB 2.950 2.210 3.640 2.730 2.667 2.818 . 0 0 "[ . 1 . 2]" 1
565 1 59 ASP QB 1 60 LYS H 2.700 2.050 3.380 2.503 2.422 3.309 . 0 0 "[ . 1 . 2]" 1
566 1 60 LYS H 1 60 LYS HA 2.670 2.520 3.340 2.836 2.828 2.846 . 0 0 "[ . 1 . 2]" 1
567 1 60 LYS H 1 61 GLN H 3.090 2.160 4.020 2.811 2.782 2.836 . 0 0 "[ . 1 . 2]" 1
568 1 60 LYS HA 1 61 GLN H 4.190 2.930 5.450 3.581 3.571 3.594 . 0 0 "[ . 1 . 2]" 1
569 1 60 LYS HA 1 63 ILE H 3.180 2.390 3.970 3.294 3.221 3.367 . 0 0 "[ . 1 . 2]" 1
570 1 60 LYS HA 1 63 ILE HB 2.280 . 2.850 2.544 2.473 2.642 . 0 0 "[ . 1 . 2]" 1
571 1 60 LYS HA 1 63 ILE MD 2.630 2.300 3.290 2.506 2.401 2.700 . 0 0 "[ . 1 . 2]" 1
572 1 61 GLN H 1 61 GLN HA 2.500 . 3.120 2.853 2.850 2.858 . 0 0 "[ . 1 . 2]" 1
573 1 61 GLN H 1 61 GLN QB 2.320 . 2.900 2.327 2.264 2.403 . 0 0 "[ . 1 . 2]" 1
574 1 61 GLN HA 1 61 GLN QB 2.380 . 2.840 2.402 2.372 2.417 . 0 0 "[ . 1 . 2]" 1
575 1 61 GLN HA 1 62 ARG H 3.620 2.530 4.710 3.585 3.575 3.603 . 0 0 "[ . 1 . 2]" 1
576 1 61 GLN HA 1 64 SER H 3.250 2.440 4.060 3.399 3.315 3.458 . 0 0 "[ . 1 . 2]" 1
577 1 61 GLN QB 1 62 ARG H 2.340 . 2.920 2.561 2.506 2.585 . 0 0 "[ . 1 . 2]" 1
578 1 62 ARG H 1 62 ARG HA 2.830 . 3.680 2.801 2.794 2.808 . 0 0 "[ . 1 . 2]" 1
579 1 62 ARG H 1 62 ARG HA 2.310 . 2.890 2.652 2.632 2.670 . 0 0 "[ . 1 . 2]" 1
580 1 62 ARG H 1 62 ARG QB 2.400 . 3.000 2.273 2.241 2.370 . 0 0 "[ . 1 . 2]" 1
581 1 62 ARG H 1 62 ARG QG 3.170 2.530 3.960 3.913 2.533 4.056 0.096 14 0 "[ . 1 . 2]" 1
582 1 62 ARG H 1 63 ILE H 2.810 . 3.470 2.721 2.699 2.746 . 0 0 "[ . 1 . 2]" 1
583 1 62 ARG HA 1 62 ARG QB 2.570 . 3.140 2.370 2.355 2.457 . 0 0 "[ . 1 . 2]" 1
584 1 62 ARG HA 1 62 ARG QG 3.350 2.510 4.170 2.532 2.400 2.968 0.110 8 0 "[ . 1 . 2]" 1
585 1 62 ARG HA 1 63 ILE H 4.100 2.870 5.330 3.536 3.522 3.545 . 0 0 "[ . 1 . 2]" 1
586 1 62 ARG HA 1 65 GLU QB 2.810 2.180 3.320 2.527 2.449 2.619 . 0 0 "[ . 1 . 2]" 1
587 1 62 ARG QB 1 63 ILE H 2.950 2.250 3.690 2.515 2.477 2.557 . 0 0 "[ . 1 . 2]" 1
588 1 62 ARG QG 1 66 ILE MD 2.930 2.360 3.660 2.428 2.293 3.988 0.328 20 0 "[ . 1 . 2]" 1
589 1 63 ILE H 1 63 ILE HA 2.620 2.090 3.270 2.816 2.806 2.821 . 0 0 "[ . 1 . 2]" 1
590 1 63 ILE H 1 63 ILE HB 2.100 . 2.620 2.445 2.399 2.482 . 0 0 "[ . 1 . 2]" 1
591 1 63 ILE H 1 63 ILE MD 3.760 2.820 4.700 3.445 3.363 3.498 . 0 0 "[ . 1 . 2]" 1
592 1 63 ILE H 1 63 ILE QG . 2.390 3.160 2.322 2.272 2.393 0.118 20 0 "[ . 1 . 2]" 1
593 1 63 ILE H 1 63 ILE MG 3.830 2.870 4.790 3.773 3.753 3.786 . 0 0 "[ . 1 . 2]" 1
594 1 63 ILE H 1 64 SER H 2.680 . 3.480 2.761 2.713 2.785 . 0 0 "[ . 1 . 2]" 1
595 1 63 ILE HA 1 63 ILE HB . 2.180 2.640 3.004 3.000 3.008 0.368 12 0 "[ . 1 . 2]" 1
596 1 63 ILE HA 1 63 ILE MD 3.130 2.780 3.910 3.813 3.800 3.831 . 0 0 "[ . 1 . 2]" 1
597 1 63 ILE HA 1 63 ILE QG 2.670 2.350 3.340 2.361 2.339 2.386 0.011 8 0 "[ . 1 . 2]" 1
598 1 63 ILE HA 1 63 ILE MG . 2.060 2.510 2.428 2.393 2.479 . 0 0 "[ . 1 . 2]" 1
599 1 63 ILE HA 1 64 SER H 3.240 2.900 4.050 3.529 3.518 3.541 . 0 0 "[ . 1 . 2]" 1
600 1 63 ILE HA 1 66 ILE H 3.130 2.600 3.910 3.147 3.081 3.236 . 0 0 "[ . 1 . 2]" 1
601 1 63 ILE HA 1 66 ILE HB 2.210 . 2.760 2.402 2.293 2.552 . 0 0 "[ . 1 . 2]" 1
602 1 63 ILE HA 1 66 ILE MD 3.080 2.310 3.850 2.310 2.257 2.351 0.053 20 0 "[ . 1 . 2]" 1
603 1 63 ILE HB 1 63 ILE MD 2.390 . 2.990 2.287 2.237 2.346 . 0 0 "[ . 1 . 2]" 1
604 1 63 ILE HB 1 63 ILE MG 1.890 . 2.360 2.145 2.139 2.152 . 0 0 "[ . 1 . 2]" 1
605 1 63 ILE HB 1 64 SER H 2.650 . 3.310 2.738 2.696 2.773 . 0 0 "[ . 1 . 2]" 1
606 1 63 ILE MG 1 64 SER H 3.850 2.890 4.810 3.299 3.247 3.374 . 0 0 "[ . 1 . 2]" 1
607 1 63 ILE MG 1 64 SER HA 3.710 2.780 4.640 3.366 3.326 3.427 . 0 0 "[ . 1 . 2]" 1
608 1 64 SER H 1 65 GLU H 2.690 . 3.500 2.717 2.692 2.761 . 0 0 "[ . 1 . 2]" 1
609 1 64 SER HA 1 65 GLU H . . 3.570 3.619 3.608 3.628 0.058 11 0 "[ . 1 . 2]" 1
610 1 65 GLU H 1 65 GLU HA 2.600 . 3.250 2.813 2.775 2.829 . 0 0 "[ . 1 . 2]" 1
611 1 65 GLU H 1 65 GLU QB 2.720 2.040 3.010 2.372 2.188 2.405 . 0 0 "[ . 1 . 2]" 1
612 1 65 GLU H 1 65 GLU QG 2.990 2.240 3.110 2.359 2.225 3.835 0.725 14 1 "[ . 1 +. 2]" 1
613 1 65 GLU H 1 66 ILE H 2.770 . 3.600 2.702 2.660 2.760 . 0 0 "[ . 1 . 2]" 1
614 1 65 GLU HA 1 65 GLU QB 2.570 . 3.000 2.413 2.408 2.419 . 0 0 "[ . 1 . 2]" 1
615 1 65 GLU HA 1 65 GLU QG . 2.100 2.780 2.412 2.265 2.737 . 0 0 "[ . 1 . 2]" 1
616 1 65 GLU HA 1 66 ILE H 4.130 2.890 5.370 3.548 3.534 3.562 . 0 0 "[ . 1 . 2]" 1
617 1 65 GLU QB 1 66 ILE H 2.930 2.200 3.660 2.593 2.507 2.632 . 0 0 "[ . 1 . 2]" 1
618 1 66 ILE H 1 66 ILE HA 2.580 2.150 3.220 2.810 2.806 2.818 . 0 0 "[ . 1 . 2]" 1
619 1 66 ILE H 1 66 ILE HB 2.170 . 2.710 2.406 2.333 2.464 . 0 0 "[ . 1 . 2]" 1
620 1 66 ILE H 1 66 ILE MD 3.740 2.810 4.670 3.477 3.055 3.543 . 0 0 "[ . 1 . 2]" 1
621 1 66 ILE H 1 66 ILE QG 2.330 . 2.910 2.253 2.187 2.358 . 0 0 "[ . 1 . 2]" 1
622 1 66 ILE H 1 66 ILE MG 3.730 2.800 4.660 3.743 3.722 3.765 . 0 0 "[ . 1 . 2]" 1
623 1 66 ILE H 1 67 LEU H 3.080 2.160 3.920 2.741 2.707 2.772 . 0 0 "[ . 1 . 2]" 1
624 1 66 ILE HA 1 66 ILE HB 2.770 2.080 3.460 3.023 3.015 3.028 . 0 0 "[ . 1 . 2]" 1
625 1 66 ILE HA 1 66 ILE MD 3.180 2.390 3.970 3.787 3.769 3.811 . 0 0 "[ . 1 . 2]" 1
626 1 66 ILE HA 1 66 ILE QG 2.310 . 2.890 2.313 2.293 2.335 . 0 0 "[ . 1 . 2]" 1
627 1 66 ILE HA 1 66 ILE MG 2.760 2.070 3.450 2.434 2.389 2.496 . 0 0 "[ . 1 . 2]" 1
628 1 66 ILE HA 1 67 LEU H 3.260 2.950 4.070 3.538 3.520 3.546 . 0 0 "[ . 1 . 2]" 1
629 1 66 ILE HA 1 69 GLU H 2.880 . 3.600 3.194 3.141 3.256 . 0 0 "[ . 1 . 2]" 1
630 1 66 ILE HA 1 69 GLU QB 2.520 . 3.150 2.734 2.669 2.828 . 0 0 "[ . 1 . 2]" 1
631 1 66 ILE HB 1 67 LEU H 2.460 . 3.080 2.560 2.518 2.626 . 0 0 "[ . 1 . 2]" 1
632 1 66 ILE MG 1 67 LEU H 3.790 2.840 4.740 3.169 3.077 3.259 . 0 0 "[ . 1 . 2]" 1
633 1 66 ILE MG 1 70 THR H 3.570 2.500 4.640 3.727 3.627 3.842 . 0 0 "[ . 1 . 2]" 1
634 1 67 LEU H 1 67 LEU HA 2.700 2.220 3.370 2.817 2.807 2.832 . 0 0 "[ . 1 . 2]" 1
635 1 67 LEU H 1 67 LEU QB 2.160 . 2.700 2.234 2.206 2.251 . 0 0 "[ . 1 . 2]" 1
636 1 67 LEU H 1 67 LEU HG 3.190 2.390 3.990 4.364 4.329 4.391 0.401 6 0 "[ . 1 . 2]" 1
637 1 67 LEU H 1 68 GLN H 3.080 2.180 4.000 2.664 2.637 2.683 . 0 0 "[ . 1 . 2]" 1
638 1 67 LEU HA 1 67 LEU QB 2.180 . 2.730 2.321 2.305 2.334 . 0 0 "[ . 1 . 2]" 1
639 1 67 LEU HA 1 67 LEU QD 3.560 2.670 4.450 2.337 2.291 2.408 0.379 14 0 "[ . 1 . 2]" 1
640 1 67 LEU HA 1 67 LEU HG 2.850 2.140 3.560 3.207 3.148 3.282 . 0 0 "[ . 1 . 2]" 1
641 1 67 LEU HA 1 70 THR HB 2.640 . 3.300 2.945 2.814 3.022 . 0 0 "[ . 1 . 2]" 1
642 1 67 LEU HA 1 71 TRP H 3.420 2.570 4.270 3.790 3.680 3.851 . 0 0 "[ . 1 . 2]" 1
643 1 67 LEU QB 1 68 GLN H 2.660 . 3.320 2.628 2.593 2.669 . 0 0 "[ . 1 . 2]" 1
644 1 67 LEU HG 1 71 TRP HD1 3.750 3.000 4.500 4.960 4.903 5.012 0.512 6 1 "[ .+ 1 . 2]" 1
645 1 68 GLN H 1 68 GLN QB 2.420 . 3.000 2.329 2.254 2.393 . 0 0 "[ . 1 . 2]" 1
646 1 68 GLN H 1 69 GLU H 2.930 2.120 3.810 2.835 2.815 2.855 . 0 0 "[ . 1 . 2]" 1
647 1 68 GLN QB 1 69 GLU H 2.770 2.210 3.460 2.431 2.381 2.495 . 0 0 "[ . 1 . 2]" 1
648 1 69 GLU H 1 69 GLU QB 2.670 . 3.340 2.376 2.345 2.415 . 0 0 "[ . 1 . 2]" 1
649 1 69 GLU H 1 69 GLU QG 2.620 . 3.110 2.187 2.079 2.256 . 0 0 "[ . 1 . 2]" 1
650 1 69 GLU HA 1 69 GLU QB 2.420 . 3.030 2.402 2.380 2.413 . 0 0 "[ . 1 . 2]" 1
651 1 69 GLU HA 1 69 GLU QG 2.450 2.080 3.060 2.353 2.260 2.692 . 0 0 "[ . 1 . 2]" 1
652 1 69 GLU HA 1 72 GLU QB 2.910 2.180 3.640 2.576 2.506 2.686 . 0 0 "[ . 1 . 2]" 1
653 1 70 THR H 1 70 THR HA 2.330 2.170 2.910 2.810 2.806 2.815 . 0 0 "[ . 1 . 2]" 1
654 1 70 THR H 1 70 THR HB 2.110 . 2.640 2.523 2.455 2.561 . 0 0 "[ . 1 . 2]" 1
655 1 70 THR H 1 71 TRP H 2.710 2.040 3.520 2.644 2.627 2.666 . 0 0 "[ . 1 . 2]" 1
656 1 70 THR HA 1 70 THR HB 2.070 . 2.590 2.997 2.994 3.001 0.411 2 0 "[ . 1 . 2]" 1
657 1 70 THR HA 1 70 THR MG 2.000 . 2.500 2.317 2.279 2.372 . 0 0 "[ . 1 . 2]" 1
658 1 70 THR HB 1 70 THR MG 2.010 . 2.510 2.138 2.131 2.144 . 0 0 "[ . 1 . 2]" 1
659 1 71 TRP H 1 71 TRP HA 2.900 2.030 3.770 2.759 2.752 2.766 . 0 0 "[ . 1 . 2]" 1
660 1 71 TRP H 1 71 TRP QB 2.520 . 3.280 2.127 2.112 2.153 . 0 0 "[ . 1 . 2]" 1
661 1 71 TRP H 1 72 GLU H 2.770 2.090 3.600 2.742 2.727 2.762 . 0 0 "[ . 1 . 2]" 1
662 1 71 TRP HA 1 71 TRP QB 2.350 . 2.940 2.345 2.298 2.368 . 0 0 "[ . 1 . 2]" 1
663 1 71 TRP HA 1 71 TRP HD1 3.750 3.000 4.500 4.652 4.618 4.710 0.210 15 0 "[ . 1 . 2]" 1
664 1 71 TRP HA 1 71 TRP HE3 2.350 . 2.700 2.210 2.151 2.281 . 0 0 "[ . 1 . 2]" 1
665 1 71 TRP HA 1 72 GLU H 2.490 2.440 3.110 3.508 3.496 3.523 0.413 20 0 "[ . 1 . 2]" 1
666 1 71 TRP HA 1 74 ALA MB . 2.650 3.200 3.242 3.178 3.297 0.097 7 0 "[ . 1 . 2]" 1
667 1 71 TRP QB 1 71 TRP HD1 3.200 2.700 3.700 2.462 2.456 2.475 0.244 16 0 "[ . 1 . 2]" 1
668 1 71 TRP QB 1 71 TRP HE3 3.200 3.000 3.700 3.138 3.054 3.223 . 0 0 "[ . 1 . 2]" 1
669 1 71 TRP HD1 1 72 GLU QG 3.750 3.000 4.500 3.563 3.233 3.759 . 0 0 "[ . 1 . 2]" 1
670 1 72 GLU H 1 72 GLU HA 2.530 . 3.160 2.860 2.855 2.865 . 0 0 "[ . 1 . 2]" 1
671 1 72 GLU H 1 72 GLU QB 2.510 . 3.140 2.367 2.338 2.402 . 0 0 "[ . 1 . 2]" 1
672 1 72 GLU H 1 72 GLU QG 2.860 2.320 3.570 2.452 2.400 2.508 . 0 0 "[ . 1 . 2]" 1
673 1 72 GLU H 1 73 SER H 2.940 2.060 3.780 2.645 2.627 2.658 . 0 0 "[ . 1 . 2]" 1
674 1 72 GLU HA 1 72 GLU QB 2.480 . 2.640 2.418 2.405 2.427 . 0 0 "[ . 1 . 2]" 1
675 1 72 GLU HA 1 72 GLU QG 2.510 2.290 3.140 2.392 2.272 2.712 0.018 17 0 "[ . 1 . 2]" 1
676 1 72 GLU HA 1 73 SER H 3.540 2.650 4.350 3.468 3.454 3.480 . 0 0 "[ . 1 . 2]" 1
677 1 73 SER H 1 73 SER HA 2.640 . 3.430 2.968 2.964 2.974 . 0 0 "[ . 1 . 2]" 1
678 1 73 SER H 1 74 ALA H 2.820 . 3.560 2.569 2.542 2.591 . 0 0 "[ . 1 . 2]" 1
679 1 73 SER HA 1 73 SER QB 1.960 . 2.450 2.263 2.186 2.436 . 0 0 "[ . 1 . 2]" 1
680 1 73 SER HA 1 74 ALA H 3.020 2.120 3.920 3.047 3.037 3.057 . 0 0 "[ . 1 . 2]" 1
681 1 73 SER QB 1 77 TRP HD1 4.400 3.300 5.500 3.364 3.021 3.724 0.279 3 0 "[ . 1 . 2]" 1
682 1 74 ALA H 1 74 ALA HA . 2.480 2.940 2.695 2.688 2.707 . 0 0 "[ . 1 . 2]" 1
683 1 74 ALA H 1 74 ALA MB 2.220 . 2.780 2.149 2.088 2.168 . 0 0 "[ . 1 . 2]" 1
684 1 74 ALA H 1 75 ASP H 3.350 2.350 4.020 3.041 3.019 3.074 . 0 0 "[ . 1 . 2]" 1
685 1 74 ALA HA 1 74 ALA MB 2.290 . 2.480 2.115 2.110 2.118 . 0 0 "[ . 1 . 2]" 1
686 1 74 ALA HA 1 75 ASP H 3.160 2.610 3.950 3.551 3.535 3.562 . 0 0 "[ . 1 . 2]" 1
687 1 74 ALA MB 1 75 ASP H 3.020 2.260 3.780 2.639 2.560 2.726 . 0 0 "[ . 1 . 2]" 1
688 1 74 ALA MB 1 75 ASP HA 3.820 2.860 4.780 3.790 3.757 3.830 . 0 0 "[ . 1 . 2]" 1
689 1 74 ALA MB 1 78 PHE QB 3.450 2.590 4.310 3.062 2.793 3.223 . 0 0 "[ . 1 . 2]" 1
690 1 75 ASP H 1 75 ASP HA 2.580 . 3.230 2.833 2.810 2.855 . 0 0 "[ . 1 . 2]" 1
691 1 75 ASP H 1 75 ASP QB 2.640 . 3.090 2.364 2.244 2.524 . 0 0 "[ . 1 . 2]" 1
692 1 75 ASP HA 1 75 ASP QB 2.400 . 3.000 2.343 2.177 2.411 . 0 0 "[ . 1 . 2]" 1
693 1 75 ASP HA 1 76 ASP H 3.430 2.570 4.060 3.474 3.462 3.485 . 0 0 "[ . 1 . 2]" 1
694 1 76 ASP H 1 76 ASP HA 2.770 2.080 3.460 2.946 2.942 2.950 . 0 0 "[ . 1 . 2]" 1
695 1 76 ASP H 1 77 TRP H 2.640 2.260 3.430 2.465 2.430 2.490 . 0 0 "[ . 1 . 2]" 1
696 1 76 ASP HA 1 76 ASP QB . . 2.840 2.392 2.336 2.418 . 0 0 "[ . 1 . 2]" 1
697 1 77 TRP H 1 77 TRP HA 2.790 2.680 3.490 2.941 2.933 2.961 . 0 0 "[ . 1 . 2]" 1
698 1 77 TRP H 1 78 PHE H 2.510 . 3.260 2.482 2.429 2.511 . 0 0 "[ . 1 . 2]" 1
699 1 77 TRP HA 1 77 TRP QB 2.170 . 2.600 2.145 2.132 2.151 . 0 0 "[ . 1 . 2]" 1
700 1 77 TRP HA 1 77 TRP HD1 3.750 3.000 4.500 4.589 4.530 4.615 0.115 20 0 "[ . 1 . 2]" 1
701 1 77 TRP HA 1 77 TRP HE3 4.400 3.300 5.500 4.041 3.998 4.102 . 0 0 "[ . 1 . 2]" 1
702 1 77 TRP HA 1 78 PHE H 3.380 2.530 4.170 3.483 3.471 3.496 . 0 0 "[ . 1 . 2]" 1
703 1 77 TRP QB 1 77 TRP HD1 3.200 3.000 3.700 2.588 2.578 2.604 0.422 2 0 "[ . 1 . 2]" 1
704 1 77 TRP QB 1 77 TRP HE3 3.750 3.000 4.500 2.820 2.787 2.849 0.213 11 0 "[ . 1 . 2]" 1
705 1 77 TRP HE3 1 78 PHE HA 3.200 2.700 3.700 2.870 2.743 3.050 . 0 0 "[ . 1 . 2]" 1
706 1 77 TRP HE3 1 78 PHE QB 3.750 3.300 4.500 3.942 3.817 4.196 . 0 0 "[ . 1 . 2]" 1
707 1 77 TRP HZ3 1 78 PHE HA 4.400 3.300 5.500 3.460 3.279 3.734 0.021 1 0 "[ . 1 . 2]" 1
708 1 77 TRP HZ3 1 78 PHE QD 3.200 2.700 3.700 3.155 2.683 3.556 0.017 7 0 "[ . 1 . 2]" 1
709 1 78 PHE H 1 78 PHE HA 2.800 2.100 3.500 2.947 2.939 2.956 . 0 0 "[ . 1 . 2]" 1
710 1 78 PHE H 1 78 PHE QB 2.400 . 2.840 2.349 2.316 2.408 . 0 0 "[ . 1 . 2]" 1
711 1 78 PHE H 1 79 VAL HB 4.030 . 5.040 3.605 2.904 4.026 . 0 0 "[ . 1 . 2]" 1
712 1 78 PHE HA 1 78 PHE QB 2.330 2.060 2.910 2.325 2.291 2.358 . 0 0 "[ . 1 . 2]" 1
713 1 78 PHE HA 1 78 PHE QD 2.350 . 2.700 2.560 2.275 2.899 0.199 20 0 "[ . 1 . 2]" 1
714 1 78 PHE HA 1 79 VAL H 1.960 . 2.450 2.092 2.068 2.121 . 0 0 "[ . 1 . 2]" 1
715 1 78 PHE QB 1 78 PHE QD 2.750 2.400 3.100 2.185 2.165 2.205 0.235 13 0 "[ . 1 . 2]" 1
716 1 78 PHE QD 1 79 VAL QG 3.750 3.000 4.500 4.155 3.813 4.304 . 0 0 "[ . 1 . 2]" 1
717 1 79 VAL H 1 79 VAL HA 2.980 2.320 3.720 2.958 2.953 2.962 . 0 0 "[ . 1 . 2]" 1
718 1 79 VAL H 1 79 VAL HB 2.800 2.130 3.500 3.157 2.810 3.670 0.170 11 0 "[ . 1 . 2]" 1
719 1 79 VAL H 1 79 VAL QG 2.850 2.140 3.560 2.077 1.916 2.253 0.224 14 0 "[ . 1 . 2]" 1
720 1 79 VAL HA 1 79 VAL HB 3.190 2.410 3.990 2.791 2.335 3.021 0.075 6 0 "[ . 1 . 2]" 1
721 1 79 VAL HA 1 79 VAL QG 3.000 2.250 3.360 2.205 2.102 2.481 0.148 13 0 "[ . 1 . 2]" 1
722 1 79 VAL HA 1 80 SER H 2.240 . 2.720 2.363 2.332 2.418 . 0 0 "[ . 1 . 2]" 1
723 1 79 VAL HB 1 79 VAL QG 2.350 . 2.940 1.915 1.912 1.918 . 0 0 "[ . 1 . 2]" 1
724 1 79 VAL QG 1 80 SER HA 4.340 . 5.430 3.956 3.216 4.176 . 0 0 "[ . 1 . 2]" 1
725 1 80 SER H 1 80 SER HA 3.300 2.470 4.100 2.966 2.946 2.975 . 0 0 "[ . 1 . 2]" 1
726 1 80 SER H 1 80 SER QB 3.810 2.860 4.600 2.852 2.665 3.086 0.195 3 0 "[ . 1 . 2]" 1
727 1 80 SER HA 1 80 SER QB 3.260 2.450 3.880 2.285 2.202 2.430 0.248 10 0 "[ . 1 . 2]" 1
728 1 80 SER HA 1 81 GLU H 2.620 . 3.020 2.161 2.147 2.178 . 0 0 "[ . 1 . 2]" 1
729 1 81 GLU H 1 81 GLU HA 3.660 2.560 4.760 2.831 2.731 2.953 . 0 0 "[ . 1 . 2]" 1
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