NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
445983 |
2kl1   |
16378 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kl1
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 986
_Distance_constraint_stats_list.Viol_count 1561
_Distance_constraint_stats_list.Viol_total 1957.042
_Distance_constraint_stats_list.Viol_max 0.537
_Distance_constraint_stats_list.Viol_rms 0.0592
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0198
_Distance_constraint_stats_list.Viol_average_violations_only 0.1254
_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 ASN 0.000 0.000 . 0 "[ . 1]"
1 3 GLU 0.655 0.354 10 0 "[ . 1]"
1 4 ALA 0.268 0.184 6 0 "[ . 1]"
1 5 LYS 0.873 0.433 3 0 "[ . 1]"
1 6 GLY 5.295 0.509 10 1 "[ . +]"
1 7 VAL 3.169 0.263 3 0 "[ . 1]"
1 8 TYR 2.612 0.433 3 0 "[ . 1]"
1 9 VAL 4.496 0.455 3 0 "[ . 1]"
1 10 MET 6.462 0.402 3 0 "[ . 1]"
1 11 SER 3.577 0.473 4 0 "[ . 1]"
1 12 VAL 4.575 0.280 3 0 "[ . 1]"
1 13 LEU 5.035 0.475 9 0 "[ . 1]"
1 14 PRO 0.101 0.101 3 0 "[ . 1]"
1 15 ASN 0.487 0.213 3 0 "[ . 1]"
1 16 MET 1.135 0.213 3 0 "[ . 1]"
1 17 PRO 3.984 0.362 9 0 "[ . 1]"
1 18 ALA 5.643 0.389 4 0 "[ . 1]"
1 19 ALA 2.805 0.280 3 0 "[ . 1]"
1 20 GLY 1.637 0.215 5 0 "[ . 1]"
1 21 ARG 3.359 0.448 9 0 "[ . 1]"
1 22 LEU 5.907 0.448 9 0 "[ . 1]"
1 23 GLU 6.408 0.415 6 0 "[ . 1]"
1 24 ALA 3.847 0.212 7 0 "[ . 1]"
1 25 GLY 1.746 0.175 5 0 "[ . 1]"
1 26 ASP 12.835 0.455 3 0 "[ . 1]"
1 27 ARG 6.502 0.509 10 1 "[ . +]"
1 28 ILE 2.233 0.263 3 0 "[ . 1]"
1 29 ALA 4.023 0.322 3 0 "[ . 1]"
1 30 ALA 5.416 0.205 4 0 "[ . 1]"
1 31 ILE 6.054 0.228 9 0 "[ . 1]"
1 32 ASP 3.807 0.228 9 0 "[ . 1]"
1 33 GLY 1.255 0.205 1 0 "[ . 1]"
1 34 GLN 1.345 0.151 8 0 "[ . 1]"
1 35 PRO 0.432 0.100 6 0 "[ . 1]"
1 36 ILE 10.428 0.371 4 0 "[ . 1]"
1 37 ASN 8.492 0.371 4 0 "[ . 1]"
1 38 THR 4.010 0.537 8 1 "[ . + 1]"
1 39 SER 0.000 0.000 . 0 "[ . 1]"
1 40 GLU 3.350 0.537 8 1 "[ . + 1]"
1 41 GLN 3.980 0.315 9 0 "[ . 1]"
1 42 ILE 5.788 0.333 7 0 "[ . 1]"
1 43 VAL 4.920 0.429 4 0 "[ . 1]"
1 44 SER 1.198 0.235 6 0 "[ . 1]"
1 45 TYR 3.061 0.163 2 0 "[ . 1]"
1 46 VAL 12.584 0.471 4 0 "[ . 1]"
1 47 ARG 0.000 0.000 . 0 "[ . 1]"
1 49 LYS 7.333 0.407 6 0 "[ . 1]"
1 50 GLN 4.161 0.264 4 0 "[ . 1]"
1 51 ALA 1.600 0.298 7 0 "[ . 1]"
1 52 GLY 0.131 0.087 4 0 "[ . 1]"
1 53 ASP 6.469 0.407 4 0 "[ . 1]"
1 54 ARG 8.281 0.393 4 0 "[ . 1]"
1 55 VAL 11.844 0.407 4 0 "[ . 1]"
1 56 ARG 8.144 0.316 7 0 "[ . 1]"
1 57 VAL 7.436 0.203 4 0 "[ . 1]"
1 58 THR 5.570 0.313 5 0 "[ . 1]"
1 59 PHE 13.587 0.322 3 0 "[ . 1]"
1 60 ILE 11.274 0.361 3 0 "[ . 1]"
1 61 ARG 4.897 0.234 6 0 "[ . 1]"
1 62 ASP 1.201 0.182 3 0 "[ . 1]"
1 63 ARG 4.392 0.362 5 0 "[ . 1]"
1 64 LYS 7.555 0.374 1 0 "[ . 1]"
1 65 GLN 4.165 0.282 5 0 "[ . 1]"
1 66 HIS 6.709 0.249 6 0 "[ . 1]"
1 67 GLU 9.321 0.313 5 0 "[ . 1]"
1 68 ALA 7.864 0.316 7 0 "[ . 1]"
1 69 GLU 5.406 0.203 4 0 "[ . 1]"
1 70 LEU 4.501 0.304 5 0 "[ . 1]"
1 71 VAL 6.375 0.304 5 0 "[ . 1]"
1 72 LEU 5.055 0.407 6 0 "[ . 1]"
1 73 LYS 0.675 0.169 6 0 "[ . 1]"
1 74 PRO 4.315 0.436 2 0 "[ . 1]"
1 75 PHE 3.272 0.271 9 0 "[ . 1]"
1 77 HIS 0.000 0.000 . 0 "[ . 1]"
1 78 HIS 0.518 0.149 7 0 "[ . 1]"
1 79 PRO 0.235 0.123 10 0 "[ . 1]"
1 80 ASN 1.639 0.179 6 0 "[ . 1]"
1 81 GLN 5.476 0.472 10 0 "[ . 1]"
1 82 ILE 7.797 0.472 10 0 "[ . 1]"
1 83 GLY 3.354 0.436 2 0 "[ . 1]"
1 84 LEU 1.164 0.471 4 0 "[ . 1]"
1 85 GLY 0.000 0.000 . 0 "[ . 1]"
1 86 VAL 4.372 0.389 4 0 "[ . 1]"
1 87 THR 3.114 0.473 4 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 ASN QB 1 3 GLU H 5.010 . 5.010 3.278 1.846 4.052 . 0 0 "[ . 1]" 1
2 1 3 GLU H 1 3 GLU QG 4.010 . 4.010 2.677 1.768 4.364 0.354 10 0 "[ . 1]" 1
3 1 3 GLU H 1 4 ALA H 4.480 . 4.480 3.592 2.834 4.664 0.184 6 0 "[ . 1]" 1
4 1 3 GLU HA 1 4 ALA H 2.900 . 3.900 2.667 2.283 3.556 . 0 0 "[ . 1]" 1
5 1 3 GLU QB 1 4 ALA H 4.180 . 4.180 3.144 1.808 4.016 . 0 0 "[ . 1]" 1
6 1 3 GLU QG 1 4 ALA H 4.440 . 4.440 4.100 3.751 4.445 0.005 8 0 "[ . 1]" 1
7 1 4 ALA H 1 4 ALA MB 3.070 . 3.070 2.453 2.162 2.995 . 0 0 "[ . 1]" 1
8 1 4 ALA HA 1 5 LYS H 2.760 . 3.760 2.756 2.138 3.610 . 0 0 "[ . 1]" 1
9 1 5 LYS H 1 5 LYS QB 3.570 . 3.570 2.832 2.355 3.412 . 0 0 "[ . 1]" 1
10 1 5 LYS HA 1 6 GLY H 2.720 . 3.720 2.934 2.250 3.604 . 0 0 "[ . 1]" 1
11 1 5 LYS QB 1 6 GLY H 3.420 . 4.420 2.433 1.770 3.792 0.030 3 0 "[ . 1]" 1
12 1 5 LYS QB 1 8 TYR QE 4.200 . 5.200 4.538 2.941 5.633 0.433 3 0 "[ . 1]" 1
13 1 5 LYS QG 1 6 GLY H 4.300 . 4.300 3.795 1.976 4.440 0.140 4 0 "[ . 1]" 1
14 1 6 GLY H 1 7 VAL QG 4.610 . 4.610 4.471 3.026 4.839 0.229 9 0 "[ . 1]" 1
15 1 6 GLY H 1 8 TYR QD 4.540 . 5.540 5.430 4.789 5.744 0.204 10 0 "[ . 1]" 1
16 1 6 GLY H 1 8 TYR QE 4.370 . 4.370 4.211 3.261 4.594 0.224 10 0 "[ . 1]" 1
17 1 6 GLY H 1 27 ARG HB2 5.080 . 5.080 4.533 4.059 5.403 0.323 6 0 "[ . 1]" 1
18 1 6 GLY H 1 27 ARG HD2 4.520 . 4.520 4.062 2.629 4.806 0.286 2 0 "[ . 1]" 1
19 1 6 GLY H 1 27 ARG HD3 4.520 . 4.520 4.479 3.187 5.029 0.509 10 1 "[ . +]" 1
20 1 6 GLY H 1 37 ASN HA 3.910 . 5.910 5.831 5.506 6.142 0.232 5 0 "[ . 1]" 1
21 1 6 GLY QA 1 7 VAL HB 4.560 . 5.560 4.595 4.288 5.215 . 0 0 "[ . 1]" 1
22 1 7 VAL H 1 7 VAL HB 3.710 . 3.710 2.928 2.548 3.786 0.076 7 0 "[ . 1]" 1
23 1 7 VAL H 1 7 VAL QG 3.400 . 3.400 2.404 1.882 2.744 . 0 0 "[ . 1]" 1
24 1 7 VAL H 1 8 TYR H 4.390 . 4.390 4.380 4.023 4.495 0.105 9 0 "[ . 1]" 1
25 1 7 VAL H 1 27 ARG HA 4.910 . 4.910 4.497 4.257 4.849 . 0 0 "[ . 1]" 1
26 1 7 VAL H 1 28 ILE H 3.820 . 3.820 3.119 2.742 4.083 0.263 3 0 "[ . 1]" 1
27 1 7 VAL HA 1 8 TYR H 2.940 . 2.940 2.311 2.097 2.456 . 0 0 "[ . 1]" 1
28 1 7 VAL HA 1 8 TYR QD 4.400 . 4.400 3.289 2.811 4.380 . 0 0 "[ . 1]" 1
29 1 7 VAL HB 1 28 ILE H 4.580 . 4.580 3.560 2.339 4.699 0.119 4 0 "[ . 1]" 1
30 1 7 VAL QG 1 8 TYR H 3.050 . 3.050 2.515 1.774 3.267 0.217 10 0 "[ . 1]" 1
31 1 7 VAL QG 1 8 TYR QD 4.960 . 4.960 4.060 3.649 4.655 . 0 0 "[ . 1]" 1
32 1 7 VAL QG 1 28 ILE H 4.860 . 4.860 3.549 2.205 4.495 . 0 0 "[ . 1]" 1
33 1 7 VAL QG 1 37 ASN HA 4.500 . 4.500 4.339 3.286 4.720 0.220 2 0 "[ . 1]" 1
34 1 7 VAL QG 1 38 THR H 4.390 . 4.390 4.239 3.361 4.556 0.166 3 0 "[ . 1]" 1
35 1 8 TYR H 1 8 TYR QB 3.210 . 3.210 2.566 2.400 2.737 . 0 0 "[ . 1]" 1
36 1 8 TYR H 1 8 TYR QD 3.800 . 3.800 2.732 2.411 2.900 . 0 0 "[ . 1]" 1
37 1 8 TYR H 1 9 VAL H 4.650 . 4.650 4.404 4.298 4.616 . 0 0 "[ . 1]" 1
38 1 8 TYR QB 1 9 VAL H 4.030 . 4.030 3.173 2.958 3.460 . 0 0 "[ . 1]" 1
39 1 8 TYR QD 1 27 ARG HB3 4.120 . 4.120 3.321 2.388 4.325 0.205 6 0 "[ . 1]" 1
40 1 9 VAL H 1 9 VAL HB 3.900 . 3.900 2.439 2.343 2.637 . 0 0 "[ . 1]" 1
41 1 9 VAL H 1 9 VAL MG1 4.080 . 4.080 3.393 1.999 3.746 . 0 0 "[ . 1]" 1
42 1 9 VAL H 1 9 VAL QG 3.170 . 3.170 2.118 1.791 2.321 0.009 3 0 "[ . 1]" 1
43 1 9 VAL H 1 9 VAL MG2 4.080 . 4.080 2.478 1.794 3.748 0.006 3 0 "[ . 1]" 1
44 1 9 VAL H 1 10 MET H 4.780 . 4.780 4.593 4.531 4.660 . 0 0 "[ . 1]" 1
45 1 9 VAL H 1 25 GLY H 4.290 . 4.290 3.900 3.489 4.347 0.057 1 0 "[ . 1]" 1
46 1 9 VAL H 1 26 ASP H 4.620 . 4.620 4.476 4.217 4.754 0.134 1 0 "[ . 1]" 1
47 1 9 VAL HA 1 10 MET H 3.080 . 3.080 2.291 2.185 2.543 . 0 0 "[ . 1]" 1
48 1 9 VAL HB 1 24 ALA HA 4.350 . 4.350 3.181 2.554 4.421 0.071 5 0 "[ . 1]" 1
49 1 9 VAL HB 1 25 GLY H 3.910 . 3.910 3.145 2.641 4.085 0.175 5 0 "[ . 1]" 1
50 1 9 VAL HB 1 26 ASP H 4.040 . 4.040 3.594 3.244 4.082 0.042 5 0 "[ . 1]" 1
51 1 9 VAL QG 1 10 MET H 3.300 . 3.300 2.452 1.765 2.898 0.035 1 0 "[ . 1]" 1
52 1 9 VAL QG 1 11 SER H 3.210 . 3.210 2.989 2.581 3.360 0.150 2 0 "[ . 1]" 1
53 1 9 VAL QG 1 11 SER HA 4.750 . 4.750 3.735 3.450 3.919 . 0 0 "[ . 1]" 1
54 1 9 VAL QG 1 22 LEU QD 3.420 . 3.420 2.381 1.989 3.202 . 0 0 "[ . 1]" 1
55 1 9 VAL QG 1 23 GLU H 3.760 . 4.260 4.132 3.382 4.406 0.146 10 0 "[ . 1]" 1
56 1 9 VAL QG 1 24 ALA HA 4.200 . 4.200 2.518 2.011 3.423 . 0 0 "[ . 1]" 1
57 1 9 VAL QG 1 26 ASP H 3.740 . 3.740 3.453 2.059 3.925 0.185 2 0 "[ . 1]" 1
58 1 9 VAL QG 1 26 ASP HB2 4.660 . 4.660 3.435 2.728 4.444 . 0 0 "[ . 1]" 1
59 1 9 VAL QG 1 26 ASP HB3 4.240 . 4.240 4.156 3.605 4.307 0.067 5 0 "[ . 1]" 1
60 1 9 VAL QG 1 86 VAL HA 4.420 . 5.420 4.360 3.739 5.394 . 0 0 "[ . 1]" 1
61 1 9 VAL MG1 1 10 MET H 3.950 . 3.950 2.829 1.778 3.571 0.022 3 0 "[ . 1]" 1
62 1 9 VAL MG1 1 26 ASP HB3 5.430 . 5.430 5.392 4.409 5.885 0.455 3 0 "[ . 1]" 1
63 1 9 VAL MG2 1 10 MET H 3.950 . 3.950 3.578 1.769 4.124 0.174 7 0 "[ . 1]" 1
64 1 9 VAL MG2 1 26 ASP HB3 5.430 . 5.430 4.491 3.638 5.488 0.058 5 0 "[ . 1]" 1
65 1 10 MET H 1 10 MET HB2 3.840 . 3.840 2.654 2.504 2.929 . 0 0 "[ . 1]" 1
66 1 10 MET H 1 10 MET QB 3.340 . 3.340 2.382 2.136 2.627 . 0 0 "[ . 1]" 1
67 1 10 MET H 1 10 MET HB3 3.840 . 3.840 2.989 2.215 3.693 . 0 0 "[ . 1]" 1
68 1 10 MET H 1 10 MET HG2 4.260 . 4.260 3.421 1.844 4.662 0.402 3 0 "[ . 1]" 1
69 1 10 MET H 1 10 MET QG 3.650 . 3.650 2.980 1.818 4.039 0.389 3 0 "[ . 1]" 1
70 1 10 MET H 1 10 MET HG3 4.260 . 4.260 3.670 1.842 4.541 0.281 5 0 "[ . 1]" 1
71 1 10 MET H 1 11 SER H 3.130 . 3.130 2.729 2.467 2.916 . 0 0 "[ . 1]" 1
72 1 10 MET H 1 86 VAL HA 4.380 . 5.380 5.322 4.693 5.649 0.269 2 0 "[ . 1]" 1
73 1 10 MET H 1 86 VAL QG 3.900 . 4.900 3.625 2.477 4.949 0.049 1 0 "[ . 1]" 1
74 1 10 MET H 1 87 THR H 4.500 . 5.000 3.904 3.283 4.676 . 0 0 "[ . 1]" 1
75 1 10 MET QB 1 11 SER HA 5.160 . 5.160 4.374 4.140 4.629 . 0 0 "[ . 1]" 1
76 1 10 MET QB 1 86 VAL QG 4.270 . 4.270 3.986 2.950 4.406 0.136 5 0 "[ . 1]" 1
77 1 10 MET QB 1 87 THR H 4.860 . 4.860 3.449 2.864 4.555 . 0 0 "[ . 1]" 1
78 1 10 MET QB 1 87 THR HB 4.420 . 4.420 2.685 2.142 3.499 . 0 0 "[ . 1]" 1
79 1 10 MET HB2 1 11 SER H 3.720 . 3.720 2.823 1.912 3.790 0.070 7 0 "[ . 1]" 1
80 1 10 MET HB2 1 87 THR HB 5.060 . 5.060 3.137 2.368 5.217 0.157 3 0 "[ . 1]" 1
81 1 10 MET HB3 1 11 SER H 3.720 . 3.720 2.703 1.981 3.481 . 0 0 "[ . 1]" 1
82 1 10 MET HB3 1 87 THR HB 5.060 . 5.060 3.392 2.409 5.025 . 0 0 "[ . 1]" 1
83 1 10 MET QG 1 86 VAL HA 4.760 . 5.760 5.590 3.144 6.147 0.387 3 0 "[ . 1]" 1
84 1 10 MET HG2 1 11 SER H 4.630 . 4.630 3.789 2.402 4.611 . 0 0 "[ . 1]" 1
85 1 10 MET HG3 1 11 SER H 4.630 . 4.630 3.908 3.232 4.439 . 0 0 "[ . 1]" 1
86 1 11 SER H 1 11 SER QB 3.860 . 3.860 2.802 2.572 3.220 . 0 0 "[ . 1]" 1
87 1 11 SER H 1 12 VAL H 4.530 . 4.530 4.450 4.410 4.488 . 0 0 "[ . 1]" 1
88 1 11 SER H 1 24 ALA HA 6.000 . 6.000 5.414 4.928 5.832 . 0 0 "[ . 1]" 1
89 1 11 SER H 1 24 ALA MB 5.650 . 5.650 4.789 4.197 5.663 0.013 5 0 "[ . 1]" 1
90 1 11 SER H 1 86 VAL HA 4.330 . 5.830 4.614 3.536 6.083 0.253 3 0 "[ . 1]" 1
91 1 11 SER H 1 87 THR H 3.330 . 4.330 3.612 3.118 4.732 0.402 3 0 "[ . 1]" 1
92 1 11 SER H 1 87 THR HA 4.260 . 5.760 5.536 1.822 6.233 0.473 4 0 "[ . 1]" 1
93 1 11 SER H 1 87 THR HB 3.910 . 3.910 3.689 2.606 4.104 0.194 7 0 "[ . 1]" 1
94 1 11 SER H 1 87 THR MG 4.350 . 5.350 4.527 3.211 5.333 . 0 0 "[ . 1]" 1
95 1 11 SER HA 1 12 VAL H 3.310 . 3.310 2.373 2.222 2.531 . 0 0 "[ . 1]" 1
96 1 11 SER HA 1 12 VAL HB 5.800 . 5.800 4.587 4.439 4.917 . 0 0 "[ . 1]" 1
97 1 11 SER HA 1 12 VAL QG 4.930 . 4.930 3.288 3.077 3.428 . 0 0 "[ . 1]" 1
98 1 11 SER HA 1 24 ALA MB 4.000 . 4.000 2.905 2.209 3.878 . 0 0 "[ . 1]" 1
99 1 11 SER QB 1 12 VAL H 3.190 . 3.190 2.679 2.235 3.265 0.075 8 0 "[ . 1]" 1
100 1 12 VAL H 1 12 VAL HB 3.460 . 3.460 2.837 2.635 3.236 . 0 0 "[ . 1]" 1
101 1 12 VAL H 1 12 VAL MG1 3.750 . 3.750 3.297 1.958 3.881 0.131 1 0 "[ . 1]" 1
102 1 12 VAL H 1 12 VAL QG 3.080 . 3.080 2.407 1.952 2.833 . 0 0 "[ . 1]" 1
103 1 12 VAL H 1 12 VAL MG2 3.750 . 3.750 3.004 2.372 3.869 0.119 8 0 "[ . 1]" 1
104 1 12 VAL H 1 24 ALA MB 4.050 . 4.050 3.599 2.869 4.109 0.059 3 0 "[ . 1]" 1
105 1 12 VAL HA 1 13 LEU H 2.880 . 2.880 2.171 2.127 2.219 . 0 0 "[ . 1]" 1
106 1 12 VAL HB 1 13 LEU H 4.080 . 4.080 4.187 4.069 4.355 0.275 3 0 "[ . 1]" 1
107 1 12 VAL QG 1 13 LEU H 3.240 . 3.240 2.719 2.378 3.218 . 0 0 "[ . 1]" 1
108 1 12 VAL QG 1 19 ALA H 4.230 . 4.230 3.968 3.474 4.510 0.280 3 0 "[ . 1]" 1
109 1 12 VAL QG 1 19 ALA HA 3.420 . 3.420 2.581 2.293 2.927 . 0 0 "[ . 1]" 1
110 1 12 VAL QG 1 19 ALA MB 3.720 . 3.720 2.897 2.245 3.590 . 0 0 "[ . 1]" 1
111 1 12 VAL QG 1 20 GLY H 3.690 . 3.690 3.560 3.092 3.778 0.088 6 0 "[ . 1]" 1
112 1 12 VAL QG 1 21 ARG H 4.570 . 4.570 4.688 4.529 4.805 0.235 4 0 "[ . 1]" 1
113 1 12 VAL QG 1 22 LEU H 4.270 . 4.270 4.098 3.747 4.285 0.015 3 0 "[ . 1]" 1
114 1 12 VAL QG 1 23 GLU H 4.030 . 5.030 4.068 3.555 4.513 . 0 0 "[ . 1]" 1
115 1 12 VAL QG 1 23 GLU HA 3.580 . 3.580 2.251 2.066 2.503 . 0 0 "[ . 1]" 1
116 1 12 VAL QG 1 23 GLU HB3 4.700 . 4.700 3.864 3.341 4.249 . 0 0 "[ . 1]" 1
117 1 12 VAL QG 1 24 ALA H 3.170 . 3.170 2.411 2.111 2.704 . 0 0 "[ . 1]" 1
118 1 12 VAL QG 1 24 ALA HA 4.020 . 4.020 3.427 2.629 4.157 0.137 9 0 "[ . 1]" 1
119 1 12 VAL MG1 1 13 LEU H 4.670 . 4.670 3.219 2.470 4.039 . 0 0 "[ . 1]" 1
120 1 12 VAL MG1 1 24 ALA H 4.430 . 4.430 3.751 2.226 4.562 0.132 2 0 "[ . 1]" 1
121 1 12 VAL MG2 1 13 LEU H 4.670 . 4.670 3.633 2.400 4.361 . 0 0 "[ . 1]" 1
122 1 12 VAL MG2 1 24 ALA H 4.430 . 4.430 2.925 2.117 4.428 . 0 0 "[ . 1]" 1
123 1 13 LEU H 1 13 LEU HB2 3.250 . 3.250 2.355 2.187 2.644 . 0 0 "[ . 1]" 1
124 1 13 LEU H 1 13 LEU HB3 3.250 . 3.250 3.566 3.465 3.725 0.475 9 0 "[ . 1]" 1
125 1 13 LEU H 1 13 LEU QD 3.740 . 3.740 2.661 2.005 3.357 . 0 0 "[ . 1]" 1
126 1 13 LEU H 1 14 PRO QD 4.690 . 4.690 4.348 4.112 4.454 . 0 0 "[ . 1]" 1
127 1 13 LEU H 1 16 MET QB 4.370 . 4.370 3.374 2.917 3.736 . 0 0 "[ . 1]" 1
128 1 13 LEU H 1 16 MET QG 4.490 . 4.490 3.696 3.014 4.481 . 0 0 "[ . 1]" 1
129 1 13 LEU H 1 18 ALA MB 5.030 . 5.030 4.616 3.888 5.193 0.163 6 0 "[ . 1]" 1
130 1 13 LEU H 1 19 ALA H 5.640 . 5.640 5.526 5.193 5.810 0.170 6 0 "[ . 1]" 1
131 1 13 LEU HA 1 13 LEU MD1 4.380 . 4.380 2.724 2.149 3.810 . 0 0 "[ . 1]" 1
132 1 13 LEU HA 1 13 LEU QD 3.660 . 3.660 2.189 1.981 2.308 . 0 0 "[ . 1]" 1
133 1 13 LEU HA 1 13 LEU MD2 4.380 . 4.380 2.974 2.117 3.737 . 0 0 "[ . 1]" 1
134 1 13 LEU HA 1 14 PRO QD 3.370 . 3.370 2.085 2.008 2.140 . 0 0 "[ . 1]" 1
135 1 13 LEU QB 1 14 PRO QD 4.260 . 4.260 2.749 2.349 3.442 . 0 0 "[ . 1]" 1
136 1 13 LEU QD 1 14 PRO QD 4.310 . 4.310 2.921 2.245 3.461 . 0 0 "[ . 1]" 1
137 1 13 LEU QD 1 16 MET QG 5.570 . 5.570 3.153 2.568 3.525 . 0 0 "[ . 1]" 1
138 1 14 PRO HA 1 16 MET H 4.570 . 4.570 3.647 3.194 4.082 . 0 0 "[ . 1]" 1
139 1 14 PRO HA 1 19 ALA MB 3.630 . 3.630 2.671 2.126 3.447 . 0 0 "[ . 1]" 1
140 1 14 PRO QB 1 19 ALA MB 5.360 . 5.360 4.119 3.591 4.819 . 0 0 "[ . 1]" 1
141 1 14 PRO QG 1 15 ASN H 4.690 . 4.690 3.840 2.483 4.791 0.101 3 0 "[ . 1]" 1
142 1 15 ASN H 1 16 MET H 3.380 . 3.380 2.624 1.587 2.916 0.213 3 0 "[ . 1]" 1
143 1 15 ASN H 1 19 ALA MB 4.230 . 4.230 3.519 2.744 4.262 0.032 5 0 "[ . 1]" 1
144 1 15 ASN HA 1 16 MET H 3.310 . 3.310 2.994 2.782 3.228 . 0 0 "[ . 1]" 1
145 1 15 ASN QB 1 15 ASN QD 3.030 . 3.030 2.311 2.178 2.548 . 0 0 "[ . 1]" 1
146 1 15 ASN QB 1 15 ASN HD22 3.650 . 3.650 3.321 3.268 3.442 . 0 0 "[ . 1]" 1
147 1 15 ASN QB 1 16 MET H 3.840 . 3.840 3.780 3.556 3.947 0.107 2 0 "[ . 1]" 1
148 1 15 ASN QB 1 16 MET HA 4.980 . 4.980 4.382 4.225 4.574 . 0 0 "[ . 1]" 1
149 1 15 ASN QB 1 16 MET QB 5.130 . 5.130 4.833 4.673 5.049 . 0 0 "[ . 1]" 1
150 1 16 MET H 1 16 MET QB 3.080 . 3.080 2.373 2.283 2.446 . 0 0 "[ . 1]" 1
151 1 16 MET H 1 16 MET QG 4.030 . 4.030 3.424 3.021 4.061 0.031 4 0 "[ . 1]" 1
152 1 16 MET H 1 17 PRO HD2 5.090 . 5.090 5.051 4.811 5.227 0.137 5 0 "[ . 1]" 1
153 1 16 MET H 1 17 PRO QD 4.480 . 4.480 4.434 4.414 4.466 . 0 0 "[ . 1]" 1
154 1 16 MET H 1 17 PRO HD3 5.090 . 5.090 4.941 4.779 5.151 0.061 3 0 "[ . 1]" 1
155 1 16 MET H 1 18 ALA H 5.130 . 5.130 4.818 4.591 5.133 0.003 9 0 "[ . 1]" 1
156 1 16 MET H 1 19 ALA H 3.960 . 3.960 3.768 3.615 3.839 . 0 0 "[ . 1]" 1
157 1 16 MET H 1 19 ALA HA 5.330 . 5.330 5.023 4.684 5.392 0.062 1 0 "[ . 1]" 1
158 1 16 MET H 1 19 ALA MB 3.060 . 3.060 2.396 1.999 2.803 . 0 0 "[ . 1]" 1
159 1 16 MET HA 1 17 PRO HB2 4.960 . 5.960 5.491 5.312 5.679 . 0 0 "[ . 1]" 1
160 1 16 MET HA 1 17 PRO QD 3.520 . 3.520 2.091 2.013 2.160 . 0 0 "[ . 1]" 1
161 1 16 MET HA 1 18 ALA H 5.120 . 5.120 4.238 4.048 4.476 . 0 0 "[ . 1]" 1
162 1 16 MET HA 1 19 ALA H 4.980 . 4.980 4.664 4.458 4.904 . 0 0 "[ . 1]" 1
163 1 16 MET QB 1 17 PRO QD 4.420 . 4.420 2.240 2.166 2.320 . 0 0 "[ . 1]" 1
164 1 16 MET QB 1 18 ALA H 4.020 . 4.020 2.531 2.319 2.735 . 0 0 "[ . 1]" 1
165 1 16 MET QB 1 19 ALA H 4.420 . 4.420 3.046 2.695 3.510 . 0 0 "[ . 1]" 1
166 1 16 MET QG 1 19 ALA MB 5.670 . 5.670 4.420 3.674 5.240 . 0 0 "[ . 1]" 1
167 1 17 PRO HA 1 19 ALA H 4.120 . 4.120 4.040 3.727 4.257 0.137 7 0 "[ . 1]" 1
168 1 17 PRO HB2 1 18 ALA H 4.430 . 4.430 3.261 2.691 3.723 . 0 0 "[ . 1]" 1
169 1 17 PRO QD 1 18 ALA H 3.920 . 3.920 2.811 2.587 3.019 . 0 0 "[ . 1]" 1
170 1 17 PRO HD2 1 18 ALA H 4.570 . 4.570 2.871 2.630 3.105 . 0 0 "[ . 1]" 1
171 1 17 PRO HD3 1 18 ALA H 4.160 . 4.160 4.029 3.832 4.132 . 0 0 "[ . 1]" 1
172 1 17 PRO HD3 1 18 ALA MB 5.070 . 5.070 5.348 5.087 5.432 0.362 9 0 "[ . 1]" 1
173 1 17 PRO HD3 1 71 VAL H 4.360 . 5.360 5.211 4.950 5.468 0.108 6 0 "[ . 1]" 1
174 1 18 ALA H 1 18 ALA MB 2.940 . 2.940 2.200 2.062 2.296 . 0 0 "[ . 1]" 1
175 1 18 ALA H 1 19 ALA H 2.970 . 2.970 2.320 2.052 2.553 . 0 0 "[ . 1]" 1
176 1 18 ALA H 1 19 ALA MB 4.130 . 4.130 4.050 3.878 4.222 0.092 8 0 "[ . 1]" 1
177 1 18 ALA HA 1 21 ARG H 4.600 . 4.600 4.072 3.563 4.327 . 0 0 "[ . 1]" 1
178 1 18 ALA HA 1 68 ALA MB 4.850 . 4.850 3.889 3.414 4.317 . 0 0 "[ . 1]" 1
179 1 18 ALA HA 1 69 GLU H 5.710 . 5.710 5.749 5.406 5.883 0.173 2 0 "[ . 1]" 1
180 1 18 ALA MB 1 19 ALA H 3.380 . 3.380 3.010 2.816 3.153 . 0 0 "[ . 1]" 1
181 1 18 ALA MB 1 19 ALA MB 4.930 . 4.930 4.108 3.916 4.262 . 0 0 "[ . 1]" 1
182 1 18 ALA MB 1 21 ARG H 3.890 . 4.890 4.500 4.182 4.840 . 0 0 "[ . 1]" 1
183 1 18 ALA MB 1 21 ARG QB 5.080 . 5.080 4.020 3.475 4.972 . 0 0 "[ . 1]" 1
184 1 18 ALA MB 1 22 LEU QD 3.740 . 3.740 2.914 2.101 3.846 0.106 1 0 "[ . 1]" 1
185 1 18 ALA MB 1 86 VAL MG1 3.690 . 4.690 3.978 2.805 5.079 0.389 4 0 "[ . 1]" 1
186 1 18 ALA MB 1 86 VAL MG2 3.690 . 4.690 4.079 2.275 4.956 0.266 3 0 "[ . 1]" 1
187 1 19 ALA H 1 19 ALA MB 2.610 . 2.610 2.279 2.172 2.346 . 0 0 "[ . 1]" 1
188 1 19 ALA H 1 20 GLY H 4.420 . 4.420 4.559 4.409 4.635 0.215 5 0 "[ . 1]" 1
189 1 19 ALA H 1 21 ARG H 4.470 . 4.470 4.385 4.151 4.584 0.114 6 0 "[ . 1]" 1
190 1 19 ALA H 1 22 LEU H 5.390 . 5.390 4.783 4.603 5.051 . 0 0 "[ . 1]" 1
191 1 19 ALA HA 1 20 GLY H 2.850 . 2.850 2.171 2.137 2.214 . 0 0 "[ . 1]" 1
192 1 19 ALA HA 1 21 ARG H 4.180 . 4.180 3.404 3.262 3.625 . 0 0 "[ . 1]" 1
193 1 19 ALA MB 1 20 GLY H 3.390 . 3.390 3.084 2.823 3.401 0.011 8 0 "[ . 1]" 1
194 1 19 ALA MB 1 20 GLY QA 4.380 . 4.380 3.729 3.628 3.855 . 0 0 "[ . 1]" 1
195 1 20 GLY H 1 21 ARG H 3.260 . 3.260 2.621 2.401 2.815 . 0 0 "[ . 1]" 1
196 1 20 GLY H 1 22 LEU H 4.580 . 4.580 3.446 3.148 3.710 . 0 0 "[ . 1]" 1
197 1 20 GLY QA 1 22 LEU H 5.730 . 5.730 4.309 4.129 4.469 . 0 0 "[ . 1]" 1
198 1 21 ARG H 1 21 ARG QB 2.900 . 2.900 2.516 2.364 3.065 0.165 9 0 "[ . 1]" 1
199 1 21 ARG H 1 21 ARG QD 4.080 . 5.080 4.138 3.867 4.550 . 0 0 "[ . 1]" 1
200 1 21 ARG H 1 22 LEU H 2.750 . 2.750 1.916 1.668 2.117 0.132 6 0 "[ . 1]" 1
201 1 21 ARG QB 1 22 LEU H 3.090 . 3.090 2.742 2.477 3.538 0.448 9 0 "[ . 1]" 1
202 1 21 ARG QB 1 22 LEU QD 4.380 . 4.380 3.637 2.707 4.556 0.176 9 0 "[ . 1]" 1
203 1 21 ARG QB 1 69 GLU H 4.490 . 4.490 3.908 3.075 4.653 0.163 9 0 "[ . 1]" 1
204 1 21 ARG QD 1 22 LEU H 4.830 . 4.830 4.745 4.381 5.087 0.257 5 0 "[ . 1]" 1
205 1 21 ARG QD 1 22 LEU QD 5.220 . 5.220 4.897 4.186 5.396 0.176 4 0 "[ . 1]" 1
206 1 21 ARG QD 1 68 ALA MB 4.300 . 4.300 3.543 2.965 4.348 0.048 6 0 "[ . 1]" 1
207 1 21 ARG QD 1 69 GLU H 4.530 . 4.530 2.767 1.867 4.590 0.060 6 0 "[ . 1]" 1
208 1 22 LEU H 1 22 LEU QB 3.280 . 3.280 2.486 2.393 2.640 . 0 0 "[ . 1]" 1
209 1 22 LEU H 1 22 LEU MD1 4.290 . 4.290 4.296 4.177 4.409 0.119 8 0 "[ . 1]" 1
210 1 22 LEU H 1 22 LEU MD2 4.290 . 4.290 4.092 3.192 4.572 0.282 9 0 "[ . 1]" 1
211 1 22 LEU H 1 22 LEU HG 4.570 . 4.570 4.408 3.696 4.843 0.273 2 0 "[ . 1]" 1
212 1 22 LEU H 1 23 GLU H 4.530 . 4.530 4.473 4.432 4.501 . 0 0 "[ . 1]" 1
213 1 22 LEU H 1 23 GLU QG 5.000 . 5.000 4.147 3.966 4.464 . 0 0 "[ . 1]" 1
214 1 22 LEU HA 1 22 LEU MD1 3.940 . 3.940 2.815 2.117 3.783 . 0 0 "[ . 1]" 1
215 1 22 LEU HA 1 22 LEU QD 3.190 . 3.190 2.100 1.965 2.226 . 0 0 "[ . 1]" 1
216 1 22 LEU HA 1 22 LEU MD2 3.940 . 3.940 2.532 2.186 3.783 . 0 0 "[ . 1]" 1
217 1 22 LEU HA 1 23 GLU H 2.890 . 2.890 2.262 2.160 2.424 . 0 0 "[ . 1]" 1
218 1 22 LEU HA 1 23 GLU HA 5.050 . 5.050 4.461 4.423 4.534 . 0 0 "[ . 1]" 1
219 1 22 LEU HA 1 68 ALA MB 5.210 . 5.210 4.435 3.861 5.237 0.027 7 0 "[ . 1]" 1
220 1 22 LEU QD 1 23 GLU H 3.290 . 3.290 2.070 1.726 2.527 0.074 1 0 "[ . 1]" 1
221 1 22 LEU QD 1 23 GLU HB3 4.520 . 5.520 5.092 4.550 5.417 . 0 0 "[ . 1]" 1
222 1 22 LEU QD 1 26 ASP H 4.100 . 4.100 3.994 3.607 4.320 0.220 7 0 "[ . 1]" 1
223 1 22 LEU QD 1 26 ASP HB2 3.680 . 3.680 2.347 2.050 3.022 . 0 0 "[ . 1]" 1
224 1 22 LEU QD 1 26 ASP HB3 4.960 . 4.960 2.716 2.523 3.032 . 0 0 "[ . 1]" 1
225 1 22 LEU QD 1 59 PHE HB2 3.890 . 3.890 2.896 2.486 3.582 . 0 0 "[ . 1]" 1
226 1 22 LEU QD 1 59 PHE QD 3.290 . 3.290 2.620 2.222 3.100 . 0 0 "[ . 1]" 1
227 1 22 LEU QD 1 59 PHE QE 3.960 . 3.960 3.002 2.614 3.678 . 0 0 "[ . 1]" 1
228 1 22 LEU QD 1 68 ALA MB 3.680 . 3.680 2.280 1.858 2.989 . 0 0 "[ . 1]" 1
229 1 22 LEU MD1 1 23 GLU H 4.250 . 4.250 2.978 1.733 4.431 0.181 5 0 "[ . 1]" 1
230 1 22 LEU MD1 1 26 ASP HB2 4.390 . 4.390 3.201 2.058 4.411 0.021 8 0 "[ . 1]" 1
231 1 22 LEU MD1 1 59 PHE QD 4.680 . 4.680 3.233 2.726 3.942 . 0 0 "[ . 1]" 1
232 1 22 LEU MD1 1 59 PHE QE 4.570 . 4.570 3.817 2.773 4.598 0.028 8 0 "[ . 1]" 1
233 1 22 LEU MD1 1 68 ALA MB 4.380 . 4.380 3.189 2.089 4.432 0.052 1 0 "[ . 1]" 1
234 1 22 LEU MD2 1 23 GLU H 4.250 . 4.250 3.039 1.849 3.910 . 0 0 "[ . 1]" 1
235 1 22 LEU MD2 1 26 ASP HB2 4.390 . 4.390 3.351 2.075 4.632 0.242 3 0 "[ . 1]" 1
236 1 22 LEU MD2 1 59 PHE QD 4.680 . 4.680 3.025 2.303 4.191 . 0 0 "[ . 1]" 1
237 1 22 LEU MD2 1 59 PHE QE 4.570 . 4.570 3.474 2.695 4.852 0.282 9 0 "[ . 1]" 1
238 1 22 LEU MD2 1 68 ALA MB 4.380 . 4.380 2.951 1.862 3.843 . 0 0 "[ . 1]" 1
239 1 23 GLU H 1 23 GLU HB2 3.690 . 3.690 2.668 2.566 2.852 . 0 0 "[ . 1]" 1
240 1 23 GLU H 1 23 GLU HB3 3.360 . 4.360 3.768 3.691 3.846 . 0 0 "[ . 1]" 1
241 1 23 GLU H 1 23 GLU QG 3.790 . 3.790 3.273 3.056 3.879 0.089 7 0 "[ . 1]" 1
242 1 23 GLU H 1 24 ALA H 4.410 . 5.410 4.382 4.334 4.426 . 0 0 "[ . 1]" 1
243 1 23 GLU H 1 24 ALA HA 5.200 . 5.200 5.046 5.001 5.124 . 0 0 "[ . 1]" 1
244 1 23 GLU H 1 26 ASP H 4.300 . 4.300 4.256 4.179 4.331 0.031 2 0 "[ . 1]" 1
245 1 23 GLU H 1 26 ASP HA 5.790 . 5.790 5.677 5.544 5.857 0.067 4 0 "[ . 1]" 1
246 1 23 GLU H 1 26 ASP HB2 4.990 . 4.990 3.562 2.946 4.538 . 0 0 "[ . 1]" 1
247 1 23 GLU H 1 26 ASP HB3 3.940 . 3.940 3.894 3.139 4.267 0.327 2 0 "[ . 1]" 1
248 1 23 GLU H 1 59 PHE QD 5.980 . 5.980 5.299 5.052 5.974 . 0 0 "[ . 1]" 1
249 1 23 GLU HA 1 23 GLU QG 3.860 . 3.860 2.451 2.213 2.703 . 0 0 "[ . 1]" 1
250 1 23 GLU HA 1 24 ALA H 2.660 . 2.660 2.245 2.175 2.319 . 0 0 "[ . 1]" 1
251 1 23 GLU HA 1 24 ALA HA 5.310 . 5.310 4.284 4.266 4.300 . 0 0 "[ . 1]" 1
252 1 23 GLU HA 1 24 ALA MB 4.410 . 4.410 4.056 4.035 4.121 . 0 0 "[ . 1]" 1
253 1 23 GLU HB2 1 24 ALA H 3.160 . 4.160 3.886 3.792 3.970 . 0 0 "[ . 1]" 1
254 1 23 GLU HB3 1 24 ALA H 3.490 . 3.490 2.657 2.564 2.817 . 0 0 "[ . 1]" 1
255 1 23 GLU HB3 1 26 ASP H 4.600 . 4.600 4.910 4.827 5.015 0.415 6 0 "[ . 1]" 1
256 1 23 GLU QG 1 24 ALA H 4.050 . 4.050 3.809 2.822 4.195 0.145 3 0 "[ . 1]" 1
257 1 24 ALA H 1 24 ALA MB 2.620 . 2.620 2.240 2.217 2.259 . 0 0 "[ . 1]" 1
258 1 24 ALA H 1 25 GLY H 4.460 . 4.460 4.594 4.580 4.612 0.152 2 0 "[ . 1]" 1
259 1 24 ALA H 1 26 ASP H 4.600 . 4.600 4.736 4.682 4.812 0.212 7 0 "[ . 1]" 1
260 1 24 ALA HA 1 25 GLY H 2.790 . 2.790 2.204 2.190 2.225 . 0 0 "[ . 1]" 1
261 1 24 ALA HA 1 26 ASP H 3.790 . 3.790 3.419 3.383 3.445 . 0 0 "[ . 1]" 1
262 1 24 ALA MB 1 25 GLY H 3.450 . 3.450 2.979 2.908 3.082 . 0 0 "[ . 1]" 1
263 1 25 GLY H 1 26 ASP H 3.220 . 3.220 2.613 2.504 2.709 . 0 0 "[ . 1]" 1
264 1 25 GLY H 1 26 ASP HB3 5.070 . 6.070 5.671 4.923 6.025 . 0 0 "[ . 1]" 1
265 1 26 ASP H 1 26 ASP HB2 3.040 . 4.040 2.848 2.430 3.600 . 0 0 "[ . 1]" 1
266 1 26 ASP H 1 26 ASP HB3 3.100 . 4.100 3.236 2.358 3.609 . 0 0 "[ . 1]" 1
267 1 26 ASP H 1 27 ARG H 4.640 . 4.640 4.655 4.635 4.679 0.039 7 0 "[ . 1]" 1
268 1 26 ASP HA 1 27 ARG H 3.020 . 3.020 2.276 2.251 2.339 . 0 0 "[ . 1]" 1
269 1 26 ASP HB2 1 27 ARG H 3.810 . 3.810 3.595 2.794 3.943 0.133 2 0 "[ . 1]" 1
270 1 26 ASP HB2 1 59 PHE HB3 4.940 . 4.940 4.980 4.496 5.228 0.288 3 0 "[ . 1]" 1
271 1 26 ASP HB2 1 59 PHE QD 4.560 . 4.560 3.508 2.384 3.920 . 0 0 "[ . 1]" 1
272 1 26 ASP HB2 1 60 ILE H 5.600 . 5.600 5.366 4.310 5.817 0.217 2 0 "[ . 1]" 1
273 1 26 ASP HB3 1 27 ARG H 4.100 . 4.100 3.264 2.737 4.178 0.078 6 0 "[ . 1]" 1
274 1 27 ARG H 1 27 ARG HB2 3.620 . 3.620 3.672 3.199 3.764 0.144 3 0 "[ . 1]" 1
275 1 27 ARG H 1 27 ARG HB3 3.680 . 3.680 3.023 2.393 3.250 . 0 0 "[ . 1]" 1
276 1 27 ARG H 1 27 ARG QD 4.970 . 4.970 4.178 3.996 5.019 0.049 6 0 "[ . 1]" 1
277 1 27 ARG H 1 27 ARG QG 4.640 . 4.640 2.231 1.971 3.856 . 0 0 "[ . 1]" 1
278 1 27 ARG H 1 28 ILE H 4.560 . 4.560 4.492 4.448 4.511 . 0 0 "[ . 1]" 1
279 1 27 ARG H 1 29 ALA H 6.000 . 6.000 6.047 5.927 6.236 0.236 7 0 "[ . 1]" 1
280 1 27 ARG H 1 59 PHE HA 4.900 . 4.900 4.788 4.622 4.918 0.018 7 0 "[ . 1]" 1
281 1 27 ARG H 1 59 PHE HB3 4.450 . 5.450 5.414 5.265 5.530 0.080 4 0 "[ . 1]" 1
282 1 27 ARG H 1 59 PHE QD 4.770 . 4.770 4.065 3.936 4.223 . 0 0 "[ . 1]" 1
283 1 27 ARG H 1 60 ILE H 3.710 . 3.710 3.319 3.149 3.511 . 0 0 "[ . 1]" 1
284 1 27 ARG H 1 60 ILE HB 4.690 . 4.690 4.272 4.084 4.578 . 0 0 "[ . 1]" 1
285 1 27 ARG H 1 60 ILE MG 4.320 . 4.320 4.351 4.163 4.557 0.237 7 0 "[ . 1]" 1
286 1 27 ARG HA 1 28 ILE H 2.990 . 2.990 2.290 2.174 2.399 . 0 0 "[ . 1]" 1
287 1 27 ARG QD 1 28 ILE H 4.790 . 4.790 4.484 4.186 4.879 0.089 9 0 "[ . 1]" 1
288 1 27 ARG QD 1 60 ILE MD 4.180 . 5.180 4.867 4.536 5.337 0.157 6 0 "[ . 1]" 1
289 1 28 ILE H 1 28 ILE HB 3.110 . 3.110 2.682 2.623 2.729 . 0 0 "[ . 1]" 1
290 1 28 ILE HA 1 28 ILE MD 3.640 . 3.640 2.161 2.145 2.181 . 0 0 "[ . 1]" 1
291 1 28 ILE HA 1 28 ILE MG 3.630 . 3.630 2.268 2.250 2.297 . 0 0 "[ . 1]" 1
292 1 28 ILE HA 1 29 ALA H 3.070 . 3.070 2.117 2.103 2.133 . 0 0 "[ . 1]" 1
293 1 28 ILE HA 1 29 ALA MB 4.560 . 4.560 3.978 3.941 4.010 . 0 0 "[ . 1]" 1
294 1 28 ILE HA 1 30 ALA H 4.310 . 4.310 3.505 3.416 3.698 . 0 0 "[ . 1]" 1
295 1 28 ILE HA 1 59 PHE HA 4.090 . 4.090 2.483 2.407 2.542 . 0 0 "[ . 1]" 1
296 1 28 ILE HA 1 59 PHE HB2 4.350 . 4.350 3.368 3.266 3.504 . 0 0 "[ . 1]" 1
297 1 28 ILE HA 1 59 PHE HB3 4.620 . 4.620 3.266 3.171 3.413 . 0 0 "[ . 1]" 1
298 1 28 ILE HA 1 60 ILE H 4.300 . 4.300 4.047 3.950 4.175 . 0 0 "[ . 1]" 1
299 1 28 ILE HB 1 28 ILE MD 3.750 . 3.750 3.233 3.229 3.247 . 0 0 "[ . 1]" 1
300 1 28 ILE HB 1 29 ALA H 4.560 . 4.560 4.174 4.057 4.242 . 0 0 "[ . 1]" 1
301 1 28 ILE MD 1 28 ILE MG 3.370 . 3.370 1.895 1.883 1.904 . 0 0 "[ . 1]" 1
302 1 28 ILE MD 1 30 ALA H 4.560 . 4.560 4.520 4.377 4.587 0.027 8 0 "[ . 1]" 1
303 1 28 ILE MD 1 57 VAL QG 3.480 . 3.480 2.447 2.292 2.644 . 0 0 "[ . 1]" 1
304 1 28 ILE MD 1 58 THR H 4.900 . 4.900 4.605 4.400 4.762 . 0 0 "[ . 1]" 1
305 1 28 ILE MD 1 59 PHE HA 3.530 . 3.530 3.415 3.288 3.515 . 0 0 "[ . 1]" 1
306 1 28 ILE MG 1 29 ALA H 3.410 . 3.410 2.862 2.634 2.993 . 0 0 "[ . 1]" 1
307 1 28 ILE MG 1 30 ALA H 3.120 . 3.120 2.232 2.110 2.357 . 0 0 "[ . 1]" 1
308 1 28 ILE MG 1 31 ILE H 4.550 . 4.550 4.328 4.210 4.433 . 0 0 "[ . 1]" 1
309 1 28 ILE MG 1 57 VAL HA 4.310 . 4.310 4.225 4.117 4.351 0.041 6 0 "[ . 1]" 1
310 1 28 ILE MG 1 58 THR H 3.420 . 3.420 3.364 3.256 3.458 0.038 6 0 "[ . 1]" 1
311 1 28 ILE MG 1 59 PHE H 4.540 . 5.040 5.069 5.000 5.107 0.067 8 0 "[ . 1]" 1
312 1 28 ILE MG 1 59 PHE HA 3.760 . 3.760 3.824 3.774 3.878 0.118 2 0 "[ . 1]" 1
313 1 28 ILE MG 1 59 PHE HB2 4.510 . 4.510 4.566 4.476 4.681 0.171 3 0 "[ . 1]" 1
314 1 29 ALA H 1 29 ALA MB 3.100 . 3.100 2.265 2.239 2.285 . 0 0 "[ . 1]" 1
315 1 29 ALA H 1 30 ALA H 2.800 . 2.800 2.196 2.111 2.260 . 0 0 "[ . 1]" 1
316 1 29 ALA H 1 57 VAL QG 4.600 . 4.600 4.618 4.353 4.720 0.120 4 0 "[ . 1]" 1
317 1 29 ALA H 1 59 PHE HA 3.360 . 3.360 2.378 2.300 2.480 . 0 0 "[ . 1]" 1
318 1 29 ALA H 1 59 PHE HB2 4.270 . 4.270 4.455 4.362 4.592 0.322 3 0 "[ . 1]" 1
319 1 29 ALA H 1 59 PHE HB3 4.460 . 4.460 4.304 4.144 4.469 0.009 3 0 "[ . 1]" 1
320 1 29 ALA H 1 60 ILE H 4.350 . 4.350 3.977 3.861 4.117 . 0 0 "[ . 1]" 1
321 1 29 ALA H 1 60 ILE QG 5.720 . 5.720 5.590 5.438 5.830 0.110 7 0 "[ . 1]" 1
322 1 29 ALA MB 1 30 ALA H 3.020 . 3.020 2.944 2.812 3.016 . 0 0 "[ . 1]" 1
323 1 29 ALA MB 1 58 THR HB 4.820 . 4.820 3.282 3.042 3.494 . 0 0 "[ . 1]" 1
324 1 29 ALA MB 1 59 PHE HA 3.690 . 3.690 3.309 3.131 3.392 . 0 0 "[ . 1]" 1
325 1 29 ALA MB 1 60 ILE H 3.690 . 3.690 3.788 3.743 3.818 0.128 8 0 "[ . 1]" 1
326 1 29 ALA MB 1 60 ILE MD 3.170 . 3.170 2.037 1.947 2.102 . 0 0 "[ . 1]" 1
327 1 30 ALA H 1 30 ALA MB 3.090 . 3.090 2.918 2.875 2.986 . 0 0 "[ . 1]" 1
328 1 30 ALA H 1 31 ILE QG 4.850 . 4.850 3.773 3.721 3.838 . 0 0 "[ . 1]" 1
329 1 30 ALA H 1 36 ILE H 4.560 . 4.560 4.524 4.357 4.650 0.090 1 0 "[ . 1]" 1
330 1 30 ALA H 1 36 ILE HB 4.660 . 4.660 4.802 4.747 4.864 0.204 7 0 "[ . 1]" 1
331 1 30 ALA H 1 36 ILE QG 4.220 . 4.220 3.736 3.412 4.070 . 0 0 "[ . 1]" 1
332 1 30 ALA H 1 57 VAL QG 4.360 . 4.360 4.210 4.002 4.300 . 0 0 "[ . 1]" 1
333 1 30 ALA H 1 58 THR H 3.550 . 3.550 3.652 3.432 3.755 0.205 4 0 "[ . 1]" 1
334 1 30 ALA H 1 58 THR HA 5.020 . 5.020 5.051 4.944 5.111 0.091 5 0 "[ . 1]" 1
335 1 30 ALA H 1 58 THR HB 3.070 . 3.070 2.639 2.544 2.739 . 0 0 "[ . 1]" 1
336 1 30 ALA H 1 58 THR MG 4.190 . 4.190 3.680 3.521 3.829 . 0 0 "[ . 1]" 1
337 1 30 ALA H 1 59 PHE HA 4.160 . 4.160 4.203 4.123 4.300 0.140 2 0 "[ . 1]" 1
338 1 30 ALA HA 1 31 ILE H 2.770 . 2.770 2.335 2.241 2.418 . 0 0 "[ . 1]" 1
339 1 30 ALA HA 1 31 ILE MD 4.400 . 4.900 4.812 4.736 4.889 . 0 0 "[ . 1]" 1
340 1 30 ALA HA 1 36 ILE H 3.470 . 3.470 2.686 2.587 2.747 . 0 0 "[ . 1]" 1
341 1 30 ALA HA 1 36 ILE QG 3.890 . 3.890 2.309 2.237 2.354 . 0 0 "[ . 1]" 1
342 1 30 ALA HA 1 58 THR H 4.970 . 4.970 5.008 4.937 5.075 0.105 9 0 "[ . 1]" 1
343 1 30 ALA MB 1 31 ILE H 2.960 . 2.960 2.421 2.284 2.631 . 0 0 "[ . 1]" 1
344 1 30 ALA MB 1 33 GLY H 3.600 . 3.600 3.143 3.075 3.208 . 0 0 "[ . 1]" 1
345 1 30 ALA MB 1 34 GLN H 3.440 . 3.440 3.527 3.439 3.591 0.151 8 0 "[ . 1]" 1
346 1 30 ALA MB 1 35 PRO HA 3.860 . 3.860 2.459 2.316 2.641 . 0 0 "[ . 1]" 1
347 1 30 ALA MB 1 36 ILE H 3.690 . 3.690 3.735 3.661 3.775 0.085 3 0 "[ . 1]" 1
348 1 30 ALA MB 1 58 THR HB 3.330 . 3.330 2.408 2.343 2.564 . 0 0 "[ . 1]" 1
349 1 31 ILE H 1 31 ILE HB 3.380 . 3.380 2.795 2.678 2.885 . 0 0 "[ . 1]" 1
350 1 31 ILE H 1 31 ILE MD 4.860 . 4.860 4.202 4.091 4.328 . 0 0 "[ . 1]" 1
351 1 31 ILE H 1 31 ILE MG 4.050 . 4.050 3.914 3.870 3.952 . 0 0 "[ . 1]" 1
352 1 31 ILE H 1 32 ASP H 4.170 . 4.170 4.202 4.160 4.237 0.067 2 0 "[ . 1]" 1
353 1 31 ILE H 1 32 ASP HA 6.000 . 6.000 5.715 5.633 5.800 . 0 0 "[ . 1]" 1
354 1 31 ILE H 1 33 GLY H 4.460 . 4.460 3.344 3.150 3.477 . 0 0 "[ . 1]" 1
355 1 31 ILE H 1 34 GLN QB 3.770 . 4.770 3.379 3.035 4.256 . 0 0 "[ . 1]" 1
356 1 31 ILE H 1 34 GLN QG 4.480 . 4.480 4.031 2.414 4.509 0.029 10 0 "[ . 1]" 1
357 1 31 ILE H 1 35 PRO HA 4.400 . 4.400 3.873 3.783 3.939 . 0 0 "[ . 1]" 1
358 1 31 ILE H 1 36 ILE H 4.690 . 4.690 4.506 4.400 4.596 . 0 0 "[ . 1]" 1
359 1 31 ILE H 1 36 ILE HA 6.000 . 6.000 5.825 5.498 5.966 . 0 0 "[ . 1]" 1
360 1 31 ILE H 1 36 ILE HB 4.640 . 5.640 5.688 5.513 5.767 0.127 8 0 "[ . 1]" 1
361 1 31 ILE H 1 36 ILE MD 3.380 . 3.380 3.318 2.804 3.601 0.221 1 0 "[ . 1]" 1
362 1 31 ILE H 1 36 ILE QG 4.830 . 4.830 3.247 3.143 3.304 . 0 0 "[ . 1]" 1
363 1 31 ILE H 1 58 THR H 5.080 . 5.080 4.677 4.509 4.783 . 0 0 "[ . 1]" 1
364 1 31 ILE HA 1 32 ASP H 2.990 . 2.990 2.103 2.083 2.123 . 0 0 "[ . 1]" 1
365 1 31 ILE HA 1 33 GLY H 4.330 . 4.330 3.478 3.406 3.563 . 0 0 "[ . 1]" 1
366 1 31 ILE HA 1 58 THR H 4.020 . 4.020 2.756 2.531 3.022 . 0 0 "[ . 1]" 1
367 1 31 ILE HB 1 57 VAL QG 4.030 . 4.030 4.161 4.122 4.184 0.154 3 0 "[ . 1]" 1
368 1 31 ILE MD 1 32 ASP H 5.140 . 5.140 5.081 5.047 5.126 . 0 0 "[ . 1]" 1
369 1 31 ILE MD 1 45 TYR HB2 4.410 . 4.410 4.140 3.525 4.441 0.031 3 0 "[ . 1]" 1
370 1 31 ILE MD 1 45 TYR HB3 4.370 . 4.370 3.965 3.643 4.138 . 0 0 "[ . 1]" 1
371 1 31 ILE MD 1 45 TYR QD 3.580 . 3.580 3.263 3.065 3.559 . 0 0 "[ . 1]" 1
372 1 31 ILE QG 1 32 ASP H 3.850 . 3.850 4.037 4.010 4.078 0.228 9 0 "[ . 1]" 1
373 1 31 ILE MG 1 32 ASP H 3.590 . 3.590 2.661 2.557 2.752 . 0 0 "[ . 1]" 1
374 1 31 ILE MG 1 32 ASP HB2 4.570 . 4.570 2.918 2.519 4.058 . 0 0 "[ . 1]" 1
375 1 31 ILE MG 1 32 ASP QB 4.020 . 4.020 2.499 2.441 2.605 . 0 0 "[ . 1]" 1
376 1 31 ILE MG 1 32 ASP HB3 4.570 . 4.570 3.008 2.588 4.048 . 0 0 "[ . 1]" 1
377 1 31 ILE MG 1 33 GLY H 4.990 . 4.990 4.348 4.236 4.437 . 0 0 "[ . 1]" 1
378 1 31 ILE MG 1 34 GLN H 4.620 . 4.620 4.274 4.222 4.337 . 0 0 "[ . 1]" 1
379 1 31 ILE MG 1 45 TYR HB3 4.450 . 4.450 4.392 4.049 4.555 0.105 9 0 "[ . 1]" 1
380 1 31 ILE MG 1 45 TYR QD 3.380 . 3.380 3.203 3.006 3.426 0.046 8 0 "[ . 1]" 1
381 1 31 ILE MG 1 45 TYR QE 3.580 . 3.580 2.873 2.219 3.668 0.088 7 0 "[ . 1]" 1
382 1 31 ILE MG 1 55 VAL HB 4.240 . 4.240 2.867 2.617 3.113 . 0 0 "[ . 1]" 1
383 1 31 ILE MG 1 56 ARG H 4.050 . 4.550 4.440 4.065 4.710 0.160 6 0 "[ . 1]" 1
384 1 31 ILE MG 1 58 THR H 4.790 . 4.790 4.297 4.141 4.675 . 0 0 "[ . 1]" 1
385 1 32 ASP H 1 32 ASP HA 2.930 . 2.930 2.304 2.293 2.322 . 0 0 "[ . 1]" 1
386 1 32 ASP H 1 33 GLY H 3.360 . 3.360 2.784 2.724 2.830 . 0 0 "[ . 1]" 1
387 1 32 ASP H 1 33 GLY QA 5.260 . 5.260 4.675 4.615 4.709 . 0 0 "[ . 1]" 1
388 1 32 ASP H 1 34 GLN H 4.490 . 4.490 4.220 4.153 4.356 . 0 0 "[ . 1]" 1
389 1 32 ASP H 1 34 GLN QG 5.310 . 5.310 5.198 4.812 5.381 0.071 10 0 "[ . 1]" 1
390 1 32 ASP H 1 56 ARG H 3.660 . 4.660 4.176 3.994 4.372 . 0 0 "[ . 1]" 1
391 1 32 ASP H 1 56 ARG QB 3.650 . 3.650 3.488 3.135 3.747 0.097 2 0 "[ . 1]" 1
392 1 32 ASP H 1 57 VAL HA 4.090 . 4.090 3.014 2.913 3.116 . 0 0 "[ . 1]" 1
393 1 32 ASP H 1 58 THR H 4.630 . 4.630 4.021 3.701 4.181 . 0 0 "[ . 1]" 1
394 1 32 ASP HA 1 33 GLY H 3.250 . 3.250 3.068 3.000 3.187 . 0 0 "[ . 1]" 1
395 1 32 ASP HA 1 56 ARG H 3.930 . 3.930 3.660 3.282 3.975 0.045 9 0 "[ . 1]" 1
396 1 32 ASP QB 1 33 GLY H 3.810 . 3.810 3.744 3.576 4.015 0.205 1 0 "[ . 1]" 1
397 1 32 ASP QB 1 45 TYR QE 4.990 . 4.990 3.832 2.644 5.088 0.098 7 0 "[ . 1]" 1
398 1 32 ASP HB2 1 33 GLY H 4.430 . 4.430 4.448 4.078 4.551 0.121 1 0 "[ . 1]" 1
399 1 32 ASP HB3 1 33 GLY H 4.430 . 4.430 4.056 3.776 4.466 0.036 1 0 "[ . 1]" 1
400 1 33 GLY H 1 34 GLN H 3.200 . 3.200 2.377 2.316 2.440 . 0 0 "[ . 1]" 1
401 1 33 GLY H 1 34 GLN QB 4.810 . 4.810 4.593 4.494 4.702 . 0 0 "[ . 1]" 1
402 1 33 GLY H 1 34 GLN QG 4.150 . 4.150 4.152 3.931 4.224 0.074 9 0 "[ . 1]" 1
403 1 33 GLY H 1 56 ARG QB 5.170 . 5.170 4.911 4.786 5.125 . 0 0 "[ . 1]" 1
404 1 34 GLN H 1 34 GLN QB 2.870 . 2.870 2.527 2.453 2.603 . 0 0 "[ . 1]" 1
405 1 34 GLN H 1 34 GLN QG 2.990 . 2.990 2.258 2.196 2.460 . 0 0 "[ . 1]" 1
406 1 34 GLN QB 1 35 PRO QD 3.580 . 3.580 3.155 2.760 3.424 . 0 0 "[ . 1]" 1
407 1 34 GLN QG 1 35 PRO QD 4.460 . 4.460 4.258 3.680 4.447 . 0 0 "[ . 1]" 1
408 1 35 PRO HA 1 36 ILE H 2.960 . 2.960 2.189 2.152 2.231 . 0 0 "[ . 1]" 1
409 1 35 PRO QB 1 36 ILE H 3.520 . 3.520 3.286 3.245 3.399 . 0 0 "[ . 1]" 1
410 1 35 PRO HB2 1 36 ILE H 4.150 . 4.150 3.679 3.435 3.892 . 0 0 "[ . 1]" 1
411 1 35 PRO HD3 1 36 ILE H 4.150 . 5.650 5.692 5.642 5.750 0.100 6 0 "[ . 1]" 1
412 1 36 ILE H 1 36 ILE HB 3.240 . 3.240 2.597 2.570 2.643 . 0 0 "[ . 1]" 1
413 1 36 ILE H 1 36 ILE MD 3.790 . 3.790 3.105 2.968 3.214 . 0 0 "[ . 1]" 1
414 1 36 ILE H 1 36 ILE QG 3.610 . 3.610 2.309 2.237 2.366 . 0 0 "[ . 1]" 1
415 1 36 ILE H 1 36 ILE MG 3.820 . 3.820 3.826 3.801 3.849 0.029 9 0 "[ . 1]" 1
416 1 36 ILE H 1 37 ASN H 4.050 . 4.050 4.264 4.199 4.340 0.290 1 0 "[ . 1]" 1
417 1 36 ILE H 1 37 ASN QB 3.860 . 5.360 5.310 5.211 5.731 0.371 4 0 "[ . 1]" 1
418 1 36 ILE HA 1 36 ILE MD 3.650 . 3.650 2.118 2.110 2.135 . 0 0 "[ . 1]" 1
419 1 36 ILE HA 1 37 ASN H 2.880 . 2.880 2.044 2.018 2.079 . 0 0 "[ . 1]" 1
420 1 36 ILE HA 1 37 ASN QB 4.820 . 4.820 4.267 4.064 4.508 . 0 0 "[ . 1]" 1
421 1 36 ILE HA 1 38 THR H 3.760 . 3.760 3.420 3.340 3.514 . 0 0 "[ . 1]" 1
422 1 36 ILE HA 1 41 GLN QG 5.030 . 5.030 3.412 2.489 5.007 . 0 0 "[ . 1]" 1
423 1 36 ILE HB 1 37 ASN H 4.010 . 4.010 4.226 4.171 4.278 0.268 7 0 "[ . 1]" 1
424 1 36 ILE HB 1 38 THR H 5.850 . 5.850 5.039 4.965 5.134 . 0 0 "[ . 1]" 1
425 1 36 ILE MD 1 37 ASN H 3.860 . 3.860 3.720 3.662 3.789 . 0 0 "[ . 1]" 1
426 1 36 ILE MD 1 41 GLN H 4.990 . 4.990 5.048 4.935 5.160 0.170 9 0 "[ . 1]" 1
427 1 36 ILE MD 1 41 GLN HB2 3.990 . 3.990 3.712 2.844 4.118 0.128 5 0 "[ . 1]" 1
428 1 36 ILE MD 1 41 GLN QB 3.390 . 3.390 2.658 2.389 2.850 . 0 0 "[ . 1]" 1
429 1 36 ILE MD 1 41 GLN HB3 3.990 . 3.990 2.747 2.538 3.031 . 0 0 "[ . 1]" 1
430 1 36 ILE MD 1 41 GLN QG 4.550 . 4.550 2.973 2.050 4.563 0.013 9 0 "[ . 1]" 1
431 1 36 ILE MD 1 42 ILE H 4.440 . 4.440 4.269 3.902 4.399 . 0 0 "[ . 1]" 1
432 1 36 ILE MD 1 42 ILE HA 3.990 . 3.990 3.789 3.409 3.900 . 0 0 "[ . 1]" 1
433 1 36 ILE MD 1 42 ILE QG 4.280 . 4.280 3.420 2.903 3.555 . 0 0 "[ . 1]" 1
434 1 36 ILE QG 1 37 ASN H 5.210 . 5.210 4.760 4.713 4.824 . 0 0 "[ . 1]" 1
435 1 36 ILE MG 1 37 ASN H 3.680 . 3.680 2.991 2.819 3.155 . 0 0 "[ . 1]" 1
436 1 36 ILE MG 1 38 THR H 3.540 . 3.540 2.843 2.682 2.982 . 0 0 "[ . 1]" 1
437 1 36 ILE MG 1 41 GLN H 4.150 . 4.150 4.225 4.133 4.465 0.315 9 0 "[ . 1]" 1
438 1 36 ILE MG 1 41 GLN HB2 4.110 . 4.110 3.452 2.356 3.903 . 0 0 "[ . 1]" 1
439 1 36 ILE MG 1 41 GLN QB 3.560 . 3.560 2.478 2.294 2.983 . 0 0 "[ . 1]" 1
440 1 36 ILE MG 1 41 GLN HB3 4.110 . 4.110 2.762 2.377 3.704 . 0 0 "[ . 1]" 1
441 1 37 ASN H 1 37 ASN QB 3.230 . 3.230 2.633 2.419 2.931 . 0 0 "[ . 1]" 1
442 1 37 ASN H 1 38 THR H 2.890 . 2.890 2.048 1.968 2.133 . 0 0 "[ . 1]" 1
443 1 37 ASN H 1 38 THR MG 4.600 . 4.600 3.817 3.176 4.091 . 0 0 "[ . 1]" 1
444 1 37 ASN H 1 41 GLN H 4.970 . 5.470 5.329 5.046 5.580 0.110 5 0 "[ . 1]" 1
445 1 37 ASN H 1 41 GLN HB2 4.430 . 4.430 3.715 3.276 4.048 . 0 0 "[ . 1]" 1
446 1 37 ASN H 1 41 GLN QB 3.870 . 3.870 3.361 3.083 3.588 . 0 0 "[ . 1]" 1
447 1 37 ASN H 1 41 GLN HB3 4.430 . 4.430 3.880 3.600 4.451 0.021 9 0 "[ . 1]" 1
448 1 37 ASN H 1 42 ILE QG 5.480 . 5.480 5.687 5.425 5.813 0.333 7 0 "[ . 1]" 1
449 1 37 ASN QB 1 38 THR H 3.580 . 3.580 3.258 2.888 3.702 0.122 3 0 "[ . 1]" 1
450 1 37 ASN QB 1 38 THR MG 4.030 . 4.030 2.819 2.389 3.860 . 0 0 "[ . 1]" 1
451 1 38 THR H 1 38 THR MG 3.660 . 3.660 2.731 2.159 2.962 . 0 0 "[ . 1]" 1
452 1 38 THR H 1 41 GLN HB2 4.600 . 4.600 3.074 2.739 3.267 . 0 0 "[ . 1]" 1
453 1 38 THR H 1 41 GLN QB 3.820 . 3.820 2.838 2.696 2.966 . 0 0 "[ . 1]" 1
454 1 38 THR H 1 41 GLN HB3 4.600 . 4.600 3.523 3.145 4.361 . 0 0 "[ . 1]" 1
455 1 38 THR H 1 41 GLN QG 4.870 . 4.870 3.877 2.332 4.778 . 0 0 "[ . 1]" 1
456 1 38 THR HB 1 40 GLU H 3.300 . 3.300 2.761 2.472 3.837 0.537 8 1 "[ . + 1]" 1
457 1 38 THR HB 1 41 GLN H 4.130 . 4.130 3.681 3.288 4.433 0.303 8 0 "[ . 1]" 1
458 1 38 THR MG 1 40 GLU H 4.040 . 4.040 4.034 2.803 4.239 0.199 5 0 "[ . 1]" 1
459 1 38 THR MG 1 41 GLN H 4.080 . 4.080 3.940 1.715 4.337 0.257 9 0 "[ . 1]" 1
460 1 39 SER H 1 40 GLU H 3.770 . 3.770 2.467 2.384 2.527 . 0 0 "[ . 1]" 1
461 1 39 SER HA 1 42 ILE H 4.430 . 4.430 3.486 3.407 3.550 . 0 0 "[ . 1]" 1
462 1 39 SER HA 1 42 ILE HB 4.600 . 4.600 3.573 3.416 3.686 . 0 0 "[ . 1]" 1
463 1 40 GLU H 1 40 GLU QB 3.210 . 3.210 2.350 2.225 2.457 . 0 0 "[ . 1]" 1
464 1 40 GLU H 1 40 GLU QG 3.710 . 3.710 2.898 1.994 4.039 0.329 10 0 "[ . 1]" 1
465 1 40 GLU H 1 41 GLN H 3.260 . 3.260 2.605 2.563 2.687 . 0 0 "[ . 1]" 1
466 1 40 GLU H 1 42 ILE H 4.760 . 4.760 4.159 4.098 4.302 . 0 0 "[ . 1]" 1
467 1 40 GLU HA 1 42 ILE H 4.840 . 4.840 3.936 3.862 4.117 . 0 0 "[ . 1]" 1
468 1 40 GLU HA 1 43 VAL H 4.020 . 4.020 3.127 3.028 3.187 . 0 0 "[ . 1]" 1
469 1 40 GLU HA 1 43 VAL HB 3.940 . 3.940 2.964 2.739 3.157 . 0 0 "[ . 1]" 1
470 1 40 GLU HA 1 44 SER H 4.590 . 4.590 4.549 4.318 4.704 0.114 1 0 "[ . 1]" 1
471 1 40 GLU QB 1 41 GLN H 3.390 . 3.390 2.814 2.554 3.560 0.170 9 0 "[ . 1]" 1
472 1 40 GLU QG 1 42 ILE H 5.590 . 5.590 5.317 4.299 5.720 0.130 1 0 "[ . 1]" 1
473 1 41 GLN H 1 41 GLN HB2 3.820 . 3.820 2.411 2.206 2.500 . 0 0 "[ . 1]" 1
474 1 41 GLN H 1 41 GLN QB 3.260 . 3.260 2.269 2.169 2.434 . 0 0 "[ . 1]" 1
475 1 41 GLN H 1 41 GLN HB3 3.820 . 3.820 2.927 2.572 3.609 . 0 0 "[ . 1]" 1
476 1 41 GLN H 1 41 GLN QG 4.030 . 4.030 3.507 2.174 4.076 0.046 8 0 "[ . 1]" 1
477 1 41 GLN H 1 42 ILE H 3.210 . 3.210 2.681 2.585 2.876 . 0 0 "[ . 1]" 1
478 1 41 GLN H 1 42 ILE QG 4.900 . 4.900 3.996 3.900 4.203 . 0 0 "[ . 1]" 1
479 1 41 GLN HA 1 41 GLN QG 4.020 . 4.020 2.609 2.262 2.889 . 0 0 "[ . 1]" 1
480 1 41 GLN HA 1 44 SER H 4.660 . 4.660 3.529 3.486 3.577 . 0 0 "[ . 1]" 1
481 1 41 GLN QB 1 42 ILE H 3.960 . 3.960 2.838 2.702 2.966 . 0 0 "[ . 1]" 1
482 1 41 GLN QB 1 42 ILE MG 5.810 . 5.810 5.214 5.119 5.269 . 0 0 "[ . 1]" 1
483 1 42 ILE H 1 42 ILE HB 3.260 . 3.260 2.442 2.366 2.482 . 0 0 "[ . 1]" 1
484 1 42 ILE H 1 42 ILE MD 3.830 . 3.830 3.242 3.121 3.777 . 0 0 "[ . 1]" 1
485 1 42 ILE H 1 42 ILE QG 3.540 . 3.540 2.100 1.965 2.346 . 0 0 "[ . 1]" 1
486 1 42 ILE H 1 42 ILE MG 3.820 . 3.820 3.727 3.715 3.748 . 0 0 "[ . 1]" 1
487 1 42 ILE H 1 43 VAL H 3.230 . 3.230 2.479 2.378 2.693 . 0 0 "[ . 1]" 1
488 1 42 ILE H 1 44 SER H 4.480 . 4.480 4.241 4.158 4.443 . 0 0 "[ . 1]" 1
489 1 42 ILE HA 1 42 ILE MD 3.930 . 3.930 2.146 2.122 2.195 . 0 0 "[ . 1]" 1
490 1 42 ILE HA 1 42 ILE QG 3.550 . 3.550 2.936 2.716 2.995 . 0 0 "[ . 1]" 1
491 1 42 ILE HA 1 42 ILE MG 3.570 . 3.570 2.358 2.327 2.431 . 0 0 "[ . 1]" 1
492 1 42 ILE HA 1 45 TYR H 4.200 . 4.200 3.426 3.339 3.559 . 0 0 "[ . 1]" 1
493 1 42 ILE HA 1 45 TYR HB2 4.560 . 4.560 3.486 3.135 4.316 . 0 0 "[ . 1]" 1
494 1 42 ILE HA 1 45 TYR HB3 4.630 . 4.630 2.551 2.394 2.738 . 0 0 "[ . 1]" 1
495 1 42 ILE HA 1 46 VAL H 4.780 . 4.780 4.023 3.747 4.222 . 0 0 "[ . 1]" 1
496 1 42 ILE HB 1 43 VAL H 3.410 . 3.410 2.900 2.767 2.973 . 0 0 "[ . 1]" 1
497 1 42 ILE MD 1 45 TYR H 4.980 . 4.980 4.889 4.792 5.066 0.086 9 0 "[ . 1]" 1
498 1 42 ILE MD 1 45 TYR QD 4.140 . 4.140 3.601 2.924 4.136 . 0 0 "[ . 1]" 1
499 1 42 ILE MD 1 46 VAL H 5.090 . 5.090 5.115 4.910 5.309 0.219 7 0 "[ . 1]" 1
500 1 42 ILE QG 1 43 VAL H 4.870 . 4.870 4.066 4.010 4.168 . 0 0 "[ . 1]" 1
501 1 42 ILE MG 1 43 VAL H 3.550 . 3.550 3.717 3.625 3.785 0.235 8 0 "[ . 1]" 1
502 1 42 ILE MG 1 46 VAL H 3.690 . 3.690 3.766 3.672 3.867 0.177 6 0 "[ . 1]" 1
503 1 42 ILE MG 1 46 VAL QG 3.730 . 3.730 2.526 2.414 2.682 . 0 0 "[ . 1]" 1
504 1 43 VAL H 1 43 VAL HB 3.590 . 3.590 2.467 2.441 2.522 . 0 0 "[ . 1]" 1
505 1 43 VAL H 1 43 VAL MG1 3.910 . 3.910 3.742 3.720 3.763 . 0 0 "[ . 1]" 1
506 1 43 VAL H 1 43 VAL QG 3.190 . 3.190 2.048 1.901 2.128 . 0 0 "[ . 1]" 1
507 1 43 VAL H 1 43 VAL MG2 3.910 . 3.910 2.057 1.907 2.140 . 0 0 "[ . 1]" 1
508 1 43 VAL H 1 44 SER H 3.420 . 3.420 2.589 2.526 2.761 . 0 0 "[ . 1]" 1
509 1 43 VAL HA 1 43 VAL MG1 3.700 . 3.700 2.350 2.336 2.370 . 0 0 "[ . 1]" 1
510 1 43 VAL HA 1 43 VAL QG 3.080 . 3.080 2.104 2.095 2.112 . 0 0 "[ . 1]" 1
511 1 43 VAL HA 1 43 VAL MG2 3.700 . 3.700 2.373 2.354 2.409 . 0 0 "[ . 1]" 1
512 1 43 VAL HA 1 46 VAL H 4.050 . 4.050 3.811 3.663 3.903 . 0 0 "[ . 1]" 1
513 1 43 VAL HA 1 46 VAL HB 4.540 . 4.540 4.065 2.944 4.969 0.429 4 0 "[ . 1]" 1
514 1 43 VAL HA 1 46 VAL QG 3.950 . 3.950 2.794 2.137 3.553 . 0 0 "[ . 1]" 1
515 1 43 VAL HA 1 47 ARG H 4.640 . 4.640 4.233 4.100 4.397 . 0 0 "[ . 1]" 1
516 1 43 VAL HB 1 44 SER H 3.150 . 3.150 2.572 2.523 2.623 . 0 0 "[ . 1]" 1
517 1 43 VAL HB 1 45 TYR H 4.810 . 4.810 4.932 4.900 4.973 0.163 2 0 "[ . 1]" 1
518 1 43 VAL QG 1 44 SER H 3.440 . 3.440 3.217 3.180 3.253 . 0 0 "[ . 1]" 1
519 1 43 VAL QG 1 44 SER HA 3.800 . 3.800 3.471 3.439 3.508 . 0 0 "[ . 1]" 1
520 1 43 VAL QG 1 45 TYR H 4.870 . 4.870 4.604 4.575 4.634 . 0 0 "[ . 1]" 1
521 1 44 SER H 1 44 SER QB 2.970 . 2.970 2.446 2.252 2.581 . 0 0 "[ . 1]" 1
522 1 44 SER H 1 45 TYR H 3.220 . 3.220 2.561 2.481 2.695 . 0 0 "[ . 1]" 1
523 1 44 SER H 1 45 TYR HB2 4.870 . 5.870 5.134 4.798 5.884 0.014 2 0 "[ . 1]" 1
524 1 44 SER H 1 45 TYR HB3 5.010 . 5.010 4.607 4.366 4.785 . 0 0 "[ . 1]" 1
525 1 44 SER HA 1 46 VAL H 5.040 . 5.040 4.860 4.777 4.910 . 0 0 "[ . 1]" 1
526 1 44 SER HA 1 47 ARG H 4.610 . 4.610 3.582 3.471 3.642 . 0 0 "[ . 1]" 1
527 1 44 SER QB 1 45 TYR H 3.620 . 3.620 2.837 2.504 3.340 . 0 0 "[ . 1]" 1
528 1 44 SER QB 1 46 VAL H 5.210 . 5.210 5.214 5.016 5.445 0.235 6 0 "[ . 1]" 1
529 1 45 TYR H 1 45 TYR HB2 3.330 . 3.330 2.712 2.443 3.233 . 0 0 "[ . 1]" 1
530 1 45 TYR H 1 45 TYR HB3 3.290 . 3.290 2.391 2.105 2.584 . 0 0 "[ . 1]" 1
531 1 45 TYR H 1 45 TYR QD 4.120 . 4.120 4.086 3.768 4.183 0.063 9 0 "[ . 1]" 1
532 1 45 TYR H 1 46 VAL H 3.430 . 3.430 2.956 2.892 3.003 . 0 0 "[ . 1]" 1
533 1 45 TYR H 1 46 VAL QG 4.620 . 4.620 3.953 3.537 4.459 . 0 0 "[ . 1]" 1
534 1 45 TYR H 1 47 ARG H 4.780 . 4.780 4.089 3.978 4.178 . 0 0 "[ . 1]" 1
535 1 45 TYR HA 1 45 TYR QD 3.410 . 3.410 2.576 2.380 3.010 . 0 0 "[ . 1]" 1
536 1 45 TYR HA 1 47 ARG H 4.630 . 4.630 4.392 4.239 4.530 . 0 0 "[ . 1]" 1
537 1 45 TYR HA 1 49 LYS H 3.960 . 4.960 4.462 3.873 4.937 . 0 0 "[ . 1]" 1
538 1 45 TYR HB2 1 46 VAL H 3.460 . 3.960 3.800 3.656 3.964 0.004 8 0 "[ . 1]" 1
539 1 45 TYR HB2 1 46 VAL QG 4.330 . 4.830 4.525 4.314 4.741 . 0 0 "[ . 1]" 1
540 1 45 TYR HB3 1 46 VAL H 3.780 . 3.780 2.464 2.192 2.957 . 0 0 "[ . 1]" 1
541 1 45 TYR QD 1 46 VAL H 4.090 . 4.090 3.142 2.844 3.440 . 0 0 "[ . 1]" 1
542 1 45 TYR QD 1 46 VAL HA 4.580 . 4.580 3.641 3.277 3.851 . 0 0 "[ . 1]" 1
543 1 45 TYR QD 1 46 VAL HB 4.510 . 5.110 5.033 4.636 5.230 0.120 8 0 "[ . 1]" 1
544 1 45 TYR QD 1 46 VAL QG 3.720 . 3.720 2.701 2.424 3.051 . 0 0 "[ . 1]" 1
545 1 45 TYR QD 1 55 VAL MG1 3.210 . 4.210 3.589 2.845 4.086 . 0 0 "[ . 1]" 1
546 1 45 TYR QE 1 55 VAL HB 4.500 . 4.500 3.089 2.360 3.989 . 0 0 "[ . 1]" 1
547 1 45 TYR QE 1 55 VAL MG1 3.090 . 3.090 2.285 2.216 2.324 . 0 0 "[ . 1]" 1
548 1 45 TYR QE 1 55 VAL MG2 3.680 . 3.680 2.361 2.259 2.632 . 0 0 "[ . 1]" 1
549 1 46 VAL H 1 46 VAL HB 3.250 . 3.250 3.035 2.425 3.589 0.339 1 0 "[ . 1]" 1
550 1 46 VAL H 1 46 VAL MG1 3.430 . 3.430 2.950 2.079 3.763 0.333 3 0 "[ . 1]" 1
551 1 46 VAL H 1 46 VAL QG 2.940 . 2.940 1.916 1.738 2.196 0.062 8 0 "[ . 1]" 1
552 1 46 VAL H 1 46 VAL MG2 3.430 . 3.430 1.980 1.856 2.211 . 0 0 "[ . 1]" 1
553 1 46 VAL H 1 47 ARG H 3.540 . 3.540 2.778 2.713 2.840 . 0 0 "[ . 1]" 1
554 1 46 VAL H 1 49 LYS H 5.540 . 5.540 5.153 4.988 5.493 . 0 0 "[ . 1]" 1
555 1 46 VAL H 1 72 LEU QD 4.760 . 4.760 4.574 4.103 4.788 0.028 10 0 "[ . 1]" 1
556 1 46 VAL HA 1 46 VAL MG1 3.690 . 3.690 2.372 2.291 2.476 . 0 0 "[ . 1]" 1
557 1 46 VAL HA 1 46 VAL MG2 3.690 . 3.690 2.760 2.302 3.193 . 0 0 "[ . 1]" 1
558 1 46 VAL HA 1 49 LYS H 4.370 . 4.370 3.707 3.349 4.094 . 0 0 "[ . 1]" 1
559 1 46 VAL HA 1 49 LYS QG 4.630 . 5.630 4.143 3.467 5.699 0.069 10 0 "[ . 1]" 1
560 1 46 VAL HA 1 72 LEU HG 4.080 . 4.080 4.130 3.882 4.389 0.309 6 0 "[ . 1]" 1
561 1 46 VAL HB 1 72 LEU QD 4.540 . 4.540 3.597 2.544 4.699 0.159 7 0 "[ . 1]" 1
562 1 46 VAL HB 1 82 ILE MG 6.000 . 6.000 4.943 3.773 6.098 0.098 7 0 "[ . 1]" 1
563 1 46 VAL QG 1 47 ARG H 4.600 . 4.600 2.620 2.010 3.216 . 0 0 "[ . 1]" 1
564 1 46 VAL QG 1 72 LEU QD 3.820 . 3.820 2.231 2.000 2.527 . 0 0 "[ . 1]" 1
565 1 46 VAL QG 1 82 ILE HB 3.710 . 3.710 2.913 2.052 4.024 0.314 1 0 "[ . 1]" 1
566 1 46 VAL QG 1 83 GLY H 3.510 . 4.510 3.934 3.246 4.345 . 0 0 "[ . 1]" 1
567 1 46 VAL QG 1 83 GLY QA 4.090 . 4.090 3.024 2.056 4.318 0.228 6 0 "[ . 1]" 1
568 1 46 VAL QG 1 84 LEU QB 4.490 . 4.490 4.402 3.416 4.961 0.471 4 0 "[ . 1]" 1
569 1 46 VAL MG1 1 82 ILE HB 4.450 . 4.450 3.162 2.059 4.631 0.181 1 0 "[ . 1]" 1
570 1 46 VAL MG1 1 83 GLY H 4.250 . 4.250 4.121 3.349 4.616 0.366 1 0 "[ . 1]" 1
571 1 46 VAL MG2 1 82 ILE HB 4.450 . 4.450 4.123 3.591 4.512 0.062 8 0 "[ . 1]" 1
572 1 47 ARG H 1 49 LYS H 4.800 . 4.800 4.472 4.263 4.775 . 0 0 "[ . 1]" 1
573 1 49 LYS H 1 49 LYS HB2 3.980 . 3.980 2.642 2.476 2.796 . 0 0 "[ . 1]" 1
574 1 49 LYS H 1 49 LYS QG 3.710 . 3.710 2.105 1.902 2.912 . 0 0 "[ . 1]" 1
575 1 49 LYS H 1 50 GLN H 5.240 . 5.240 4.532 4.370 4.609 . 0 0 "[ . 1]" 1
576 1 49 LYS H 1 55 VAL MG1 4.960 . 4.960 4.991 4.848 5.116 0.156 8 0 "[ . 1]" 1
577 1 49 LYS H 1 72 LEU QD 5.060 . 5.060 4.407 3.374 4.653 . 0 0 "[ . 1]" 1
578 1 49 LYS H 1 72 LEU HG 5.360 . 5.360 5.043 4.802 5.767 0.407 6 0 "[ . 1]" 1
579 1 49 LYS HA 1 49 LYS QD 3.600 . 3.600 2.399 2.206 3.747 0.147 10 0 "[ . 1]" 1
580 1 49 LYS HA 1 55 VAL MG1 5.060 . 5.560 5.278 5.062 5.756 0.196 10 0 "[ . 1]" 1
581 1 49 LYS HB2 1 50 GLN H 3.580 . 3.580 3.348 2.882 3.803 0.223 3 0 "[ . 1]" 1
582 1 49 LYS HB2 1 53 ASP H 4.660 . 5.660 5.529 5.319 5.705 0.045 1 0 "[ . 1]" 1
583 1 49 LYS HB2 1 53 ASP HB2 4.110 . 4.110 3.980 3.564 4.182 0.072 7 0 "[ . 1]" 1
584 1 49 LYS HB2 1 53 ASP HB3 4.820 . 4.820 3.412 3.255 3.577 . 0 0 "[ . 1]" 1
585 1 49 LYS HB2 1 54 ARG H 4.510 . 5.510 5.840 5.733 5.903 0.393 4 0 "[ . 1]" 1
586 1 49 LYS HB2 1 72 LEU HG 3.780 . 3.780 2.659 2.387 3.700 . 0 0 "[ . 1]" 1
587 1 49 LYS QD 1 50 GLN H 4.430 . 4.430 3.925 3.625 4.521 0.091 10 0 "[ . 1]" 1
588 1 49 LYS QD 1 53 ASP HB2 4.840 . 4.840 4.132 3.727 5.134 0.294 9 0 "[ . 1]" 1
589 1 49 LYS QD 1 53 ASP HB3 5.060 . 5.060 4.214 3.902 5.194 0.134 9 0 "[ . 1]" 1
590 1 49 LYS QD 1 55 VAL HB 5.890 . 5.890 5.731 4.428 5.980 0.090 6 0 "[ . 1]" 1
591 1 49 LYS QD 1 55 VAL MG1 3.040 . 3.040 3.064 2.062 3.321 0.281 9 0 "[ . 1]" 1
592 1 49 LYS QG 1 54 ARG H 5.370 . 5.370 5.082 4.671 5.373 0.003 9 0 "[ . 1]" 1
593 1 49 LYS QG 1 55 VAL MG1 3.410 . 3.410 2.328 2.139 3.449 0.039 10 0 "[ . 1]" 1
594 1 50 GLN H 1 50 GLN QB 3.500 . 3.500 2.925 2.542 3.168 . 0 0 "[ . 1]" 1
595 1 50 GLN H 1 50 GLN QG 4.230 . 4.230 2.356 1.834 4.075 . 0 0 "[ . 1]" 1
596 1 50 GLN H 1 53 ASP HB3 4.550 . 4.550 3.518 3.098 3.864 . 0 0 "[ . 1]" 1
597 1 50 GLN H 1 72 LEU HG 5.080 . 5.080 4.337 3.665 5.107 0.027 6 0 "[ . 1]" 1
598 1 50 GLN H 1 82 ILE MD 6.000 . 6.000 5.815 5.088 6.232 0.232 1 0 "[ . 1]" 1
599 1 50 GLN H 1 82 ILE MG 6.000 . 6.000 5.006 4.645 5.613 . 0 0 "[ . 1]" 1
600 1 50 GLN HA 1 50 GLN QG 3.860 . 3.860 3.251 2.354 3.480 . 0 0 "[ . 1]" 1
601 1 50 GLN HA 1 51 ALA H 2.690 . 2.690 2.503 2.012 2.673 . 0 0 "[ . 1]" 1
602 1 50 GLN HA 1 53 ASP HB3 5.090 . 5.090 5.286 5.124 5.354 0.264 4 0 "[ . 1]" 1
603 1 50 GLN HA 1 82 ILE MD 3.970 . 3.970 3.364 2.461 3.867 . 0 0 "[ . 1]" 1
604 1 50 GLN QB 1 51 ALA H 3.020 . 3.020 2.247 1.880 3.193 0.173 2 0 "[ . 1]" 1
605 1 50 GLN QB 1 53 ASP HB2 5.810 . 5.810 4.538 3.366 5.029 . 0 0 "[ . 1]" 1
606 1 50 GLN QG 1 51 ALA H 3.730 . 3.730 3.127 1.719 3.967 0.237 2 0 "[ . 1]" 1
607 1 50 GLN QG 1 53 ASP H 4.430 . 4.430 3.946 3.636 4.660 0.230 5 0 "[ . 1]" 1
608 1 51 ALA H 1 51 ALA MB 2.680 . 2.680 2.248 2.116 2.538 . 0 0 "[ . 1]" 1
609 1 51 ALA H 1 53 ASP H 4.690 . 4.690 4.667 4.475 4.767 0.077 10 0 "[ . 1]" 1
610 1 51 ALA H 1 82 ILE MD 4.230 . 4.230 3.317 2.545 4.218 . 0 0 "[ . 1]" 1
611 1 51 ALA H 1 82 ILE MG 3.550 . 3.550 3.211 1.885 3.848 0.298 7 0 "[ . 1]" 1
612 1 51 ALA HA 1 52 GLY H 2.830 . 2.830 2.211 2.171 2.246 . 0 0 "[ . 1]" 1
613 1 51 ALA HA 1 53 ASP H 3.520 . 3.520 3.260 3.197 3.362 . 0 0 "[ . 1]" 1
614 1 51 ALA HA 1 72 LEU H 5.330 . 5.330 4.968 4.650 5.254 . 0 0 "[ . 1]" 1
615 1 51 ALA HA 1 72 LEU HB2 4.820 . 4.820 3.036 2.561 3.328 . 0 0 "[ . 1]" 1
616 1 51 ALA HA 1 72 LEU HB3 4.330 . 4.330 2.584 2.394 2.807 . 0 0 "[ . 1]" 1
617 1 51 ALA HA 1 72 LEU HG 4.860 . 4.860 4.595 4.305 4.872 0.012 6 0 "[ . 1]" 1
618 1 51 ALA HA 1 82 ILE MD 4.770 . 4.770 4.150 3.266 4.749 . 0 0 "[ . 1]" 1
619 1 51 ALA HA 1 82 ILE MG 3.770 . 3.770 2.708 2.356 2.992 . 0 0 "[ . 1]" 1
620 1 51 ALA MB 1 52 GLY H 3.480 . 3.480 3.024 2.936 3.212 . 0 0 "[ . 1]" 1
621 1 51 ALA MB 1 53 ASP H 4.710 . 4.710 4.350 4.294 4.430 . 0 0 "[ . 1]" 1
622 1 51 ALA MB 1 74 PRO HB2 3.800 . 4.800 4.407 4.182 4.898 0.098 8 0 "[ . 1]" 1
623 1 51 ALA MB 1 74 PRO QD 3.980 . 3.980 2.224 2.058 2.537 . 0 0 "[ . 1]" 1
624 1 51 ALA MB 1 74 PRO QG 4.100 . 4.100 2.668 2.243 3.181 . 0 0 "[ . 1]" 1
625 1 51 ALA MB 1 82 ILE MD 3.730 . 3.730 3.027 2.283 3.777 0.047 5 0 "[ . 1]" 1
626 1 51 ALA MB 1 82 ILE MG 3.880 . 3.880 2.735 2.254 3.024 . 0 0 "[ . 1]" 1
627 1 52 GLY H 1 53 ASP H 3.020 . 3.020 2.403 2.344 2.459 . 0 0 "[ . 1]" 1
628 1 52 GLY H 1 53 ASP HA 5.160 . 5.160 5.050 4.986 5.091 . 0 0 "[ . 1]" 1
629 1 52 GLY H 1 53 ASP HB3 4.850 . 4.850 4.648 4.516 4.732 . 0 0 "[ . 1]" 1
630 1 52 GLY H 1 72 LEU HA 4.850 . 4.850 4.796 4.631 4.937 0.087 4 0 "[ . 1]" 1
631 1 52 GLY H 1 72 LEU HB2 4.370 . 4.370 2.953 2.702 3.212 . 0 0 "[ . 1]" 1
632 1 52 GLY H 1 72 LEU HB3 3.960 . 3.960 3.525 3.369 3.781 . 0 0 "[ . 1]" 1
633 1 52 GLY H 1 72 LEU QD 5.260 . 5.260 4.398 4.230 4.556 . 0 0 "[ . 1]" 1
634 1 52 GLY H 1 73 LYS HA 4.440 . 4.440 3.808 3.527 4.413 . 0 0 "[ . 1]" 1
635 1 52 GLY H 1 82 ILE MG 5.490 . 5.490 4.298 3.980 4.502 . 0 0 "[ . 1]" 1
636 1 52 GLY QA 1 53 ASP H 3.090 . 3.090 2.930 2.918 2.946 . 0 0 "[ . 1]" 1
637 1 53 ASP H 1 53 ASP HB2 3.090 . 3.090 2.578 2.500 2.632 . 0 0 "[ . 1]" 1
638 1 53 ASP H 1 53 ASP HB3 2.850 . 2.850 2.568 2.473 2.605 . 0 0 "[ . 1]" 1
639 1 53 ASP H 1 54 ARG H 4.730 . 4.730 4.578 4.544 4.615 . 0 0 "[ . 1]" 1
640 1 53 ASP H 1 72 LEU H 4.450 . 4.450 3.595 3.386 3.787 . 0 0 "[ . 1]" 1
641 1 53 ASP H 1 72 LEU HB2 3.930 . 3.930 2.370 2.229 2.485 . 0 0 "[ . 1]" 1
642 1 53 ASP H 1 72 LEU HB3 3.460 . 3.960 3.732 3.566 4.035 0.075 6 0 "[ . 1]" 1
643 1 53 ASP H 1 72 LEU HG 4.090 . 4.090 4.169 4.024 4.311 0.221 1 0 "[ . 1]" 1
644 1 53 ASP HA 1 54 ARG H 2.800 . 2.800 2.493 2.358 2.581 . 0 0 "[ . 1]" 1
645 1 53 ASP HB2 1 54 ARG H 3.250 . 3.750 3.689 3.638 3.834 0.084 10 0 "[ . 1]" 1
646 1 53 ASP HB2 1 55 VAL MG2 4.680 . 5.680 5.884 5.591 6.087 0.407 4 0 "[ . 1]" 1
647 1 53 ASP HB2 1 72 LEU H 5.040 . 5.040 4.900 4.615 5.048 0.008 7 0 "[ . 1]" 1
648 1 53 ASP HB2 1 72 LEU HG 4.120 . 4.120 3.999 3.807 4.275 0.155 6 0 "[ . 1]" 1
649 1 53 ASP HB3 1 54 ARG H 3.760 . 3.760 3.315 3.141 3.568 . 0 0 "[ . 1]" 1
650 1 53 ASP HB3 1 72 LEU HG 3.860 . 3.860 2.693 2.498 2.921 . 0 0 "[ . 1]" 1
651 1 54 ARG H 1 54 ARG QB 3.620 . 3.620 2.802 2.533 3.209 . 0 0 "[ . 1]" 1
652 1 54 ARG H 1 54 ARG QD 4.050 . 5.050 4.358 2.490 5.034 . 0 0 "[ . 1]" 1
653 1 54 ARG H 1 54 ARG QG 3.820 . 3.820 3.043 2.129 4.070 0.250 1 0 "[ . 1]" 1
654 1 54 ARG H 1 55 VAL H 4.160 . 4.160 4.174 4.079 4.256 0.096 3 0 "[ . 1]" 1
655 1 54 ARG H 1 55 VAL MG1 4.520 . 4.520 3.529 3.403 3.748 . 0 0 "[ . 1]" 1
656 1 54 ARG H 1 55 VAL MG2 4.020 . 5.020 4.573 4.434 4.852 . 0 0 "[ . 1]" 1
657 1 54 ARG HA 1 54 ARG QD 4.910 . 4.910 4.063 3.605 4.275 . 0 0 "[ . 1]" 1
658 1 54 ARG HA 1 55 VAL H 2.890 . 2.890 2.130 2.107 2.166 . 0 0 "[ . 1]" 1
659 1 54 ARG HA 1 55 VAL MG2 3.840 . 3.840 3.396 3.290 3.519 . 0 0 "[ . 1]" 1
660 1 54 ARG HA 1 71 VAL H 4.930 . 4.930 5.022 4.845 5.205 0.275 7 0 "[ . 1]" 1
661 1 54 ARG HA 1 71 VAL HA 4.270 . 4.270 2.493 2.297 2.700 . 0 0 "[ . 1]" 1
662 1 54 ARG HA 1 71 VAL QG 4.140 . 4.140 2.763 2.311 3.239 . 0 0 "[ . 1]" 1
663 1 54 ARG HA 1 72 LEU H 4.160 . 4.160 3.652 3.346 4.154 . 0 0 "[ . 1]" 1
664 1 54 ARG QB 1 55 VAL H 3.510 . 3.510 3.349 3.130 3.791 0.281 10 0 "[ . 1]" 1
665 1 54 ARG QB 1 55 VAL HA 4.860 . 4.860 4.254 4.078 4.552 . 0 0 "[ . 1]" 1
666 1 54 ARG QB 1 71 VAL HA 4.730 . 4.730 4.219 3.563 4.619 . 0 0 "[ . 1]" 1
667 1 54 ARG QB 1 71 VAL QG 3.840 . 3.840 3.128 2.264 3.964 0.124 4 0 "[ . 1]" 1
668 1 54 ARG QD 1 71 VAL QG 4.010 . 4.010 3.579 3.274 4.214 0.204 3 0 "[ . 1]" 1
669 1 54 ARG QG 1 55 VAL HA 5.500 . 5.500 5.104 3.746 5.835 0.335 6 0 "[ . 1]" 1
670 1 54 ARG QG 1 71 VAL QG 3.940 . 3.940 2.682 2.015 4.176 0.236 9 0 "[ . 1]" 1
671 1 55 VAL H 1 55 VAL HB 4.000 . 4.000 3.791 3.770 3.835 . 0 0 "[ . 1]" 1
672 1 55 VAL H 1 55 VAL MG1 3.760 . 3.760 3.088 2.950 3.227 . 0 0 "[ . 1]" 1
673 1 55 VAL H 1 55 VAL MG2 3.220 . 3.220 2.071 1.953 2.148 . 0 0 "[ . 1]" 1
674 1 55 VAL H 1 71 VAL HA 3.930 . 3.930 3.414 3.069 3.773 . 0 0 "[ . 1]" 1
675 1 55 VAL H 1 72 LEU H 4.660 . 4.660 4.574 4.331 4.882 0.222 6 0 "[ . 1]" 1
676 1 55 VAL HA 1 55 VAL MG1 3.670 . 3.670 2.259 2.229 2.285 . 0 0 "[ . 1]" 1
677 1 55 VAL HA 1 56 ARG H 2.640 . 2.640 2.049 2.017 2.068 . 0 0 "[ . 1]" 1
678 1 55 VAL HB 1 56 ARG H 3.220 . 3.220 3.158 3.098 3.222 0.002 9 0 "[ . 1]" 1
679 1 55 VAL MG1 1 56 ARG H 3.500 . 3.500 3.683 3.610 3.718 0.218 1 0 "[ . 1]" 1
680 1 55 VAL MG2 1 56 ARG H 3.830 . 3.830 4.038 4.000 4.086 0.256 7 0 "[ . 1]" 1
681 1 55 VAL MG2 1 70 LEU H 3.630 . 3.630 3.551 3.149 3.695 0.065 3 0 "[ . 1]" 1
682 1 55 VAL MG2 1 70 LEU QB 3.830 . 3.830 2.586 2.287 2.916 . 0 0 "[ . 1]" 1
683 1 55 VAL MG2 1 72 LEU H 3.990 . 3.990 3.908 3.621 4.149 0.159 7 0 "[ . 1]" 1
684 1 56 ARG H 1 56 ARG QB 3.010 . 3.010 2.429 2.234 2.584 . 0 0 "[ . 1]" 1
685 1 56 ARG H 1 56 ARG QD 4.510 . 4.510 3.166 2.382 3.963 . 0 0 "[ . 1]" 1
686 1 56 ARG H 1 57 VAL H 4.240 . 4.240 4.355 4.266 4.438 0.198 1 0 "[ . 1]" 1
687 1 56 ARG HA 1 57 VAL H 2.740 . 2.740 2.132 2.075 2.160 . 0 0 "[ . 1]" 1
688 1 56 ARG HA 1 68 ALA H 4.470 . 4.470 4.676 4.474 4.786 0.316 7 0 "[ . 1]" 1
689 1 56 ARG QB 1 57 VAL H 3.720 . 3.720 3.500 3.341 3.626 . 0 0 "[ . 1]" 1
690 1 56 ARG QD 1 57 VAL H 5.060 . 5.060 4.173 3.778 4.539 . 0 0 "[ . 1]" 1
691 1 56 ARG QD 1 69 GLU QG 4.550 . 4.550 3.552 2.322 4.747 0.197 5 0 "[ . 1]" 1
692 1 56 ARG QD 1 70 LEU H 5.510 . 5.510 4.421 4.150 4.690 . 0 0 "[ . 1]" 1
693 1 57 VAL H 1 57 VAL HB 3.110 . 3.110 2.423 2.367 2.498 . 0 0 "[ . 1]" 1
694 1 57 VAL H 1 58 THR H 4.390 . 4.390 4.511 4.455 4.560 0.170 9 0 "[ . 1]" 1
695 1 57 VAL H 1 67 GLU HA 4.670 . 4.670 4.663 4.535 4.756 0.086 9 0 "[ . 1]" 1
696 1 57 VAL H 1 67 GLU QG 5.180 . 5.180 5.143 5.028 5.260 0.080 9 0 "[ . 1]" 1
697 1 57 VAL H 1 68 ALA H 3.310 . 3.310 3.193 2.864 3.394 0.084 7 0 "[ . 1]" 1
698 1 57 VAL H 1 68 ALA MB 3.730 . 3.730 3.653 3.508 3.758 0.028 6 0 "[ . 1]" 1
699 1 57 VAL H 1 69 GLU H 4.770 . 4.770 4.905 4.838 4.957 0.187 4 0 "[ . 1]" 1
700 1 57 VAL H 1 69 GLU HA 3.480 . 3.480 3.610 3.527 3.683 0.203 4 0 "[ . 1]" 1
701 1 57 VAL H 1 70 LEU H 4.280 . 4.280 3.580 3.393 3.935 . 0 0 "[ . 1]" 1
702 1 57 VAL HA 1 58 THR H 2.800 . 2.800 2.175 2.147 2.209 . 0 0 "[ . 1]" 1
703 1 57 VAL HA 1 68 ALA MB 4.810 . 4.810 4.749 4.608 4.815 0.005 2 0 "[ . 1]" 1
704 1 57 VAL HB 1 58 THR H 4.210 . 4.210 4.183 4.083 4.269 0.059 1 0 "[ . 1]" 1
705 1 57 VAL HB 1 68 ALA H 4.190 . 4.190 3.282 3.180 3.408 . 0 0 "[ . 1]" 1
706 1 57 VAL HB 1 68 ALA MB 4.050 . 4.050 2.359 2.298 2.490 . 0 0 "[ . 1]" 1
707 1 57 VAL QG 1 58 THR H 3.280 . 3.280 2.417 2.184 2.578 . 0 0 "[ . 1]" 1
708 1 57 VAL QG 1 59 PHE H 3.910 . 4.910 4.288 4.181 4.349 . 0 0 "[ . 1]" 1
709 1 57 VAL QG 1 59 PHE HA 4.670 . 4.670 4.438 4.398 4.478 . 0 0 "[ . 1]" 1
710 1 57 VAL QG 1 59 PHE HB2 3.780 . 5.280 4.490 4.418 4.573 . 0 0 "[ . 1]" 1
711 1 57 VAL QG 1 59 PHE QD 3.750 . 3.750 3.274 2.948 3.408 . 0 0 "[ . 1]" 1
712 1 57 VAL QG 1 68 ALA H 4.500 . 4.500 3.538 3.443 3.705 . 0 0 "[ . 1]" 1
713 1 58 THR H 1 58 THR HB 3.260 . 3.260 2.571 2.468 2.618 . 0 0 "[ . 1]" 1
714 1 58 THR H 1 58 THR MG 3.860 . 3.860 3.816 3.768 3.842 . 0 0 "[ . 1]" 1
715 1 58 THR H 1 59 PHE H 4.210 . 4.710 4.514 4.479 4.538 . 0 0 "[ . 1]" 1
716 1 58 THR H 1 68 ALA MB 5.530 . 5.530 5.089 4.948 5.266 . 0 0 "[ . 1]" 1
717 1 58 THR HA 1 58 THR MG 3.430 . 3.430 2.295 2.285 2.315 . 0 0 "[ . 1]" 1
718 1 58 THR HA 1 59 PHE H 2.790 . 2.790 2.221 2.187 2.246 . 0 0 "[ . 1]" 1
719 1 58 THR HA 1 66 HIS H 4.820 . 4.820 4.640 4.399 4.882 0.062 5 0 "[ . 1]" 1
720 1 58 THR HA 1 67 GLU H 4.530 . 4.530 4.747 4.685 4.843 0.313 5 0 "[ . 1]" 1
721 1 58 THR HA 1 67 GLU HA 3.890 . 3.890 2.343 2.321 2.369 . 0 0 "[ . 1]" 1
722 1 58 THR HA 1 67 GLU QG 4.240 . 4.240 3.022 2.883 3.166 . 0 0 "[ . 1]" 1
723 1 58 THR HA 1 68 ALA H 3.850 . 3.850 3.407 3.303 3.537 . 0 0 "[ . 1]" 1
724 1 58 THR HB 1 59 PHE H 4.280 . 4.280 4.048 3.992 4.100 . 0 0 "[ . 1]" 1
725 1 58 THR MG 1 59 PHE H 3.230 . 3.230 2.509 2.417 2.625 . 0 0 "[ . 1]" 1
726 1 58 THR MG 1 65 GLN QB 4.620 . 4.620 3.148 2.875 3.597 . 0 0 "[ . 1]" 1
727 1 58 THR MG 1 66 HIS H 4.000 . 4.000 3.697 3.391 3.957 . 0 0 "[ . 1]" 1
728 1 58 THR MG 1 67 GLU HA 4.570 . 4.570 3.661 3.577 3.732 . 0 0 "[ . 1]" 1
729 1 58 THR MG 1 68 ALA H 5.330 . 5.330 5.098 4.989 5.254 . 0 0 "[ . 1]" 1
730 1 59 PHE H 1 59 PHE HB2 4.110 . 4.110 3.975 3.963 3.988 . 0 0 "[ . 1]" 1
731 1 59 PHE H 1 59 PHE HB3 4.190 . 4.190 3.251 3.225 3.277 . 0 0 "[ . 1]" 1
732 1 59 PHE H 1 59 PHE QD 3.860 . 3.860 2.877 2.794 3.029 . 0 0 "[ . 1]" 1
733 1 59 PHE H 1 59 PHE QE 4.340 . 4.340 4.397 4.340 4.489 0.149 1 0 "[ . 1]" 1
734 1 59 PHE H 1 60 ILE HA 4.950 . 4.950 4.698 4.684 4.718 . 0 0 "[ . 1]" 1
735 1 59 PHE H 1 65 GLN HA 5.190 . 5.190 4.522 4.339 4.811 . 0 0 "[ . 1]" 1
736 1 59 PHE H 1 66 HIS H 3.380 . 3.380 3.062 2.839 3.322 . 0 0 "[ . 1]" 1
737 1 59 PHE H 1 66 HIS HB2 4.710 . 4.710 4.644 4.479 4.723 0.013 10 0 "[ . 1]" 1
738 1 59 PHE H 1 67 GLU H 4.850 . 4.850 5.016 4.943 5.093 0.243 7 0 "[ . 1]" 1
739 1 59 PHE H 1 67 GLU HA 3.730 . 3.730 3.509 3.306 3.725 . 0 0 "[ . 1]" 1
740 1 59 PHE H 1 67 GLU QG 4.850 . 4.850 4.481 4.245 4.802 . 0 0 "[ . 1]" 1
741 1 59 PHE H 1 68 ALA H 4.560 . 4.560 4.488 4.365 4.633 0.073 1 0 "[ . 1]" 1
742 1 59 PHE H 1 68 ALA MB 4.640 . 4.640 4.733 4.653 4.778 0.138 8 0 "[ . 1]" 1
743 1 59 PHE HA 1 59 PHE QD 4.480 . 4.480 3.716 3.685 3.729 . 0 0 "[ . 1]" 1
744 1 59 PHE HA 1 60 ILE H 3.110 . 3.110 2.341 2.314 2.371 . 0 0 "[ . 1]" 1
745 1 59 PHE HA 1 60 ILE HB 5.060 . 5.060 4.276 4.255 4.303 . 0 0 "[ . 1]" 1
746 1 59 PHE HA 1 60 ILE MD 3.650 . 3.650 2.970 2.929 3.017 . 0 0 "[ . 1]" 1
747 1 59 PHE HB2 1 60 ILE H 3.700 . 4.700 2.852 2.755 2.920 . 0 0 "[ . 1]" 1
748 1 59 PHE HB3 1 60 ILE H 3.440 . 4.440 4.119 4.035 4.179 . 0 0 "[ . 1]" 1
749 1 59 PHE QD 1 60 ILE H 4.640 . 4.640 3.273 3.165 3.346 . 0 0 "[ . 1]" 1
750 1 59 PHE QD 1 60 ILE MD 5.210 . 5.210 4.512 4.423 4.637 . 0 0 "[ . 1]" 1
751 1 59 PHE QD 1 60 ILE MG 4.810 . 4.810 4.874 4.816 4.913 0.103 8 0 "[ . 1]" 1
752 1 59 PHE QD 1 61 ARG HB3 3.760 . 3.760 3.934 3.847 3.994 0.234 6 0 "[ . 1]" 1
753 1 59 PHE QD 1 66 HIS HB2 4.450 . 4.450 4.114 4.006 4.167 . 0 0 "[ . 1]" 1
754 1 59 PHE QD 1 66 HIS HB3 5.010 . 5.010 5.032 4.876 5.091 0.081 9 0 "[ . 1]" 1
755 1 59 PHE QD 1 67 GLU HA 4.880 . 4.880 3.675 3.512 3.928 . 0 0 "[ . 1]" 1
756 1 59 PHE QD 1 68 ALA H 4.210 . 4.210 3.199 3.059 3.480 . 0 0 "[ . 1]" 1
757 1 59 PHE QE 1 60 ILE H 5.220 . 5.220 5.379 5.303 5.420 0.200 9 0 "[ . 1]" 1
758 1 59 PHE QE 1 60 ILE MD 5.980 . 5.980 5.672 5.584 5.795 . 0 0 "[ . 1]" 1
759 1 59 PHE QE 1 61 ARG H 4.510 . 4.510 4.380 4.205 4.567 0.057 6 0 "[ . 1]" 1
760 1 59 PHE QE 1 61 ARG HB3 4.350 . 4.350 2.729 2.595 2.816 . 0 0 "[ . 1]" 1
761 1 59 PHE QE 1 61 ARG QD 5.230 . 5.230 2.999 2.904 3.130 . 0 0 "[ . 1]" 1
762 1 59 PHE QE 1 66 HIS H 4.600 . 4.600 4.390 4.254 4.572 . 0 0 "[ . 1]" 1
763 1 59 PHE QE 1 66 HIS HB2 4.510 . 4.510 2.984 2.840 3.068 . 0 0 "[ . 1]" 1
764 1 59 PHE QE 1 66 HIS HB3 4.490 . 4.490 3.488 3.270 3.596 . 0 0 "[ . 1]" 1
765 1 59 PHE QE 1 66 HIS HD2 3.840 . 3.840 3.835 3.681 3.893 0.053 6 0 "[ . 1]" 1
766 1 59 PHE QE 1 67 GLU H 4.750 . 4.750 4.540 4.418 4.694 . 0 0 "[ . 1]" 1
767 1 59 PHE QE 1 67 GLU HA 4.890 . 4.890 4.150 3.846 4.427 . 0 0 "[ . 1]" 1
768 1 59 PHE QE 1 68 ALA H 4.470 . 4.470 3.756 3.440 4.070 . 0 0 "[ . 1]" 1
769 1 59 PHE QE 1 68 ALA MB 3.400 . 3.400 2.309 2.282 2.349 . 0 0 "[ . 1]" 1
770 1 60 ILE H 1 60 ILE HB 3.410 . 3.410 2.315 2.276 2.369 . 0 0 "[ . 1]" 1
771 1 60 ILE H 1 60 ILE MD 3.490 . 3.490 2.533 2.484 2.600 . 0 0 "[ . 1]" 1
772 1 60 ILE H 1 60 ILE QG 4.180 . 4.180 3.842 3.807 3.894 . 0 0 "[ . 1]" 1
773 1 60 ILE H 1 60 ILE MG 3.490 . 3.490 3.592 3.558 3.620 0.130 8 0 "[ . 1]" 1
774 1 60 ILE H 1 61 ARG H 4.540 . 4.540 4.451 4.424 4.474 . 0 0 "[ . 1]" 1
775 1 60 ILE H 1 61 ARG HB3 5.940 . 5.940 5.980 5.900 6.066 0.126 9 0 "[ . 1]" 1
776 1 60 ILE H 1 65 GLN HA 5.260 . 5.260 4.818 4.719 5.069 . 0 0 "[ . 1]" 1
777 1 60 ILE HA 1 60 ILE MD 3.840 . 3.840 2.351 2.308 2.410 . 0 0 "[ . 1]" 1
778 1 60 ILE HA 1 60 ILE MG 3.560 . 3.560 2.671 2.645 2.725 . 0 0 "[ . 1]" 1
779 1 60 ILE HA 1 61 ARG H 2.840 . 2.840 2.111 2.077 2.166 . 0 0 "[ . 1]" 1
780 1 60 ILE HA 1 64 LYS H 4.120 . 4.620 4.548 4.330 4.695 0.075 8 0 "[ . 1]" 1
781 1 60 ILE HA 1 66 HIS H 3.840 . 3.840 3.449 3.195 3.677 . 0 0 "[ . 1]" 1
782 1 60 ILE HB 1 60 ILE MD 3.600 . 3.600 2.371 2.320 2.389 . 0 0 "[ . 1]" 1
783 1 60 ILE HB 1 61 ARG H 4.760 . 4.760 4.307 4.266 4.347 . 0 0 "[ . 1]" 1
784 1 60 ILE MD 1 65 GLN H 4.230 . 4.230 4.364 4.246 4.512 0.282 5 0 "[ . 1]" 1
785 1 60 ILE MD 1 65 GLN HA 3.830 . 3.830 2.410 2.307 2.528 . 0 0 "[ . 1]" 1
786 1 60 ILE MD 1 65 GLN QB 4.070 . 4.070 2.364 2.057 3.052 . 0 0 "[ . 1]" 1
787 1 60 ILE MD 1 66 HIS H 3.430 . 3.430 3.275 3.106 3.407 . 0 0 "[ . 1]" 1
788 1 60 ILE QG 1 64 LYS H 3.700 . 4.700 4.577 4.419 4.779 0.079 8 0 "[ . 1]" 1
789 1 60 ILE QG 1 64 LYS HA 4.670 . 4.670 4.924 4.837 5.031 0.361 3 0 "[ . 1]" 1
790 1 60 ILE QG 1 65 GLN H 4.390 . 4.390 3.794 3.581 4.097 . 0 0 "[ . 1]" 1
791 1 60 ILE MG 1 61 ARG H 3.220 . 3.220 2.489 2.365 2.583 . 0 0 "[ . 1]" 1
792 1 60 ILE MG 1 62 ASP H 5.200 . 5.200 3.689 3.536 3.771 . 0 0 "[ . 1]" 1
793 1 60 ILE MG 1 63 ARG H 3.330 . 3.330 2.624 2.482 2.787 . 0 0 "[ . 1]" 1
794 1 60 ILE MG 1 63 ARG HA 3.380 . 3.380 2.839 2.694 3.020 . 0 0 "[ . 1]" 1
795 1 60 ILE MG 1 64 LYS H 3.220 . 3.220 3.242 3.014 3.428 0.208 8 0 "[ . 1]" 1
796 1 60 ILE MG 1 66 HIS HD2 4.890 . 5.890 5.766 5.377 5.909 0.019 7 0 "[ . 1]" 1
797 1 61 ARG H 1 61 ARG HB2 3.500 . 3.500 3.350 3.262 3.414 . 0 0 "[ . 1]" 1
798 1 61 ARG H 1 61 ARG HB3 3.790 . 3.790 2.739 2.634 2.797 . 0 0 "[ . 1]" 1
799 1 61 ARG H 1 61 ARG QD 5.060 . 5.060 4.994 4.830 5.177 0.117 7 0 "[ . 1]" 1
800 1 61 ARG H 1 61 ARG QG 5.060 . 5.060 4.012 3.920 4.076 . 0 0 "[ . 1]" 1
801 1 61 ARG H 1 62 ASP H 5.030 . 5.030 4.099 4.030 4.146 . 0 0 "[ . 1]" 1
802 1 61 ARG H 1 63 ARG H 4.550 . 4.550 3.947 3.801 4.060 . 0 0 "[ . 1]" 1
803 1 61 ARG H 1 63 ARG HA 4.860 . 4.860 4.810 4.728 4.906 0.046 8 0 "[ . 1]" 1
804 1 61 ARG H 1 64 LYS H 3.260 . 3.260 2.912 2.667 3.104 . 0 0 "[ . 1]" 1
805 1 61 ARG H 1 65 GLN H 5.320 . 5.320 4.559 4.417 4.797 . 0 0 "[ . 1]" 1
806 1 61 ARG H 1 65 GLN HA 4.200 . 4.200 3.353 3.129 3.660 . 0 0 "[ . 1]" 1
807 1 61 ARG H 1 66 HIS HD2 3.940 . 3.940 3.845 3.398 3.992 0.052 7 0 "[ . 1]" 1
808 1 61 ARG HA 1 62 ASP H 2.990 . 2.990 2.088 2.056 2.119 . 0 0 "[ . 1]" 1
809 1 61 ARG HA 1 63 ARG H 3.820 . 3.820 3.942 3.861 4.053 0.233 3 0 "[ . 1]" 1
810 1 61 ARG HB2 1 61 ARG HD2 3.980 . 3.980 2.834 2.401 3.652 . 0 0 "[ . 1]" 1
811 1 61 ARG HB2 1 61 ARG QD 3.480 . 3.480 2.513 2.316 2.785 . 0 0 "[ . 1]" 1
812 1 61 ARG HB2 1 61 ARG HD3 3.980 . 3.980 3.232 2.398 3.696 . 0 0 "[ . 1]" 1
813 1 61 ARG HB2 1 62 ASP H 4.460 . 4.460 4.208 4.136 4.255 . 0 0 "[ . 1]" 1
814 1 61 ARG HB2 1 64 LYS QE 3.710 . 5.910 5.878 5.563 6.095 0.185 9 0 "[ . 1]" 1
815 1 61 ARG HB2 1 66 HIS HD2 3.620 . 4.620 4.608 4.223 4.764 0.144 1 0 "[ . 1]" 1
816 1 61 ARG HB3 1 62 ASP H 4.790 . 4.790 4.319 4.251 4.402 . 0 0 "[ . 1]" 1
817 1 61 ARG HB3 1 64 LYS H 5.010 . 5.010 4.289 4.119 4.400 . 0 0 "[ . 1]" 1
818 1 61 ARG HB3 1 66 HIS HD2 4.000 . 4.000 3.127 2.697 3.408 . 0 0 "[ . 1]" 1
819 1 61 ARG QG 1 62 ASP H 4.480 . 4.480 2.838 2.760 2.942 . 0 0 "[ . 1]" 1
820 1 62 ASP H 1 63 ARG H 3.880 . 3.880 2.903 2.834 2.993 . 0 0 "[ . 1]" 1
821 1 62 ASP H 1 63 ARG HA 5.010 . 5.010 5.130 5.071 5.192 0.182 3 0 "[ . 1]" 1
822 1 62 ASP H 1 64 LYS H 4.950 . 4.950 4.013 3.988 4.041 . 0 0 "[ . 1]" 1
823 1 62 ASP HA 1 63 ARG H 3.210 . 3.210 2.811 2.728 2.860 . 0 0 "[ . 1]" 1
824 1 62 ASP HA 1 64 LYS H 5.020 . 5.020 4.195 4.125 4.329 . 0 0 "[ . 1]" 1
825 1 62 ASP QB 1 64 LYS H 4.510 . 4.510 3.412 3.282 3.560 . 0 0 "[ . 1]" 1
826 1 62 ASP HB2 1 63 ARG H 4.630 . 4.630 4.293 4.245 4.345 . 0 0 "[ . 1]" 1
827 1 62 ASP HB3 1 63 ARG H 4.630 . 4.630 4.451 4.423 4.473 . 0 0 "[ . 1]" 1
828 1 63 ARG H 1 63 ARG HA 2.700 . 2.700 2.248 2.229 2.259 . 0 0 "[ . 1]" 1
829 1 63 ARG H 1 63 ARG QB 3.060 . 3.060 3.201 2.976 3.422 0.362 5 0 "[ . 1]" 1
830 1 63 ARG H 1 63 ARG QD 4.330 . 5.330 4.466 2.834 5.474 0.144 9 0 "[ . 1]" 1
831 1 63 ARG H 1 64 LYS H 3.060 . 3.060 2.666 2.593 2.748 . 0 0 "[ . 1]" 1
832 1 63 ARG H 1 64 LYS HA 5.370 . 5.370 5.298 5.258 5.347 . 0 0 "[ . 1]" 1
833 1 63 ARG HA 1 64 LYS H 3.320 . 3.320 3.191 3.131 3.285 . 0 0 "[ . 1]" 1
834 1 63 ARG QB 1 63 ARG QD 2.980 . 2.980 2.280 2.121 2.857 . 0 0 "[ . 1]" 1
835 1 63 ARG QB 1 64 LYS H 4.290 . 4.290 3.617 3.514 3.827 . 0 0 "[ . 1]" 1
836 1 63 ARG QD 1 64 LYS H 4.850 . 5.850 5.411 4.805 5.734 . 0 0 "[ . 1]" 1
837 1 64 LYS H 1 64 LYS QB 2.910 . 2.910 2.546 2.468 2.632 . 0 0 "[ . 1]" 1
838 1 64 LYS H 1 64 LYS QD 3.830 . 4.330 4.274 3.549 4.560 0.230 6 0 "[ . 1]" 1
839 1 64 LYS H 1 64 LYS QE 4.170 . 4.170 4.094 3.828 4.544 0.374 1 0 "[ . 1]" 1
840 1 64 LYS H 1 65 GLN H 4.110 . 4.110 4.181 4.072 4.281 0.171 5 0 "[ . 1]" 1
841 1 64 LYS H 1 66 HIS HD2 4.870 . 4.870 4.865 4.523 5.027 0.157 3 0 "[ . 1]" 1
842 1 64 LYS HA 1 65 GLN H 2.610 . 2.610 2.164 2.128 2.200 . 0 0 "[ . 1]" 1
843 1 64 LYS HA 1 65 GLN QB 4.510 . 4.510 4.443 4.345 4.520 0.010 1 0 "[ . 1]" 1
844 1 64 LYS QB 1 65 GLN H 4.600 . 4.600 3.524 3.381 3.635 . 0 0 "[ . 1]" 1
845 1 64 LYS QB 1 66 HIS HD2 3.910 . 3.910 2.874 2.694 3.031 . 0 0 "[ . 1]" 1
846 1 64 LYS QG 1 65 GLN QG 6.000 . 6.000 5.448 5.317 5.604 . 0 0 "[ . 1]" 1
847 1 65 GLN H 1 65 GLN QB 2.800 . 2.800 2.534 2.388 2.669 . 0 0 "[ . 1]" 1
848 1 65 GLN H 1 65 GLN QG 4.030 . 4.030 1.937 1.830 2.195 . 0 0 "[ . 1]" 1
849 1 65 GLN H 1 66 HIS H 4.340 . 4.340 4.547 4.505 4.589 0.249 6 0 "[ . 1]" 1
850 1 65 GLN HA 1 66 HIS H 2.690 . 2.690 2.166 2.125 2.244 . 0 0 "[ . 1]" 1
851 1 65 GLN HA 1 66 HIS HD2 4.550 . 4.550 3.996 3.594 4.324 . 0 0 "[ . 1]" 1
852 1 65 GLN QB 1 66 HIS H 3.420 . 3.420 3.004 2.823 3.216 . 0 0 "[ . 1]" 1
853 1 65 GLN QG 1 66 HIS H 4.460 . 4.460 4.196 3.885 4.437 . 0 0 "[ . 1]" 1
854 1 66 HIS H 1 66 HIS HB2 3.730 . 3.730 2.864 2.793 2.935 . 0 0 "[ . 1]" 1
855 1 66 HIS H 1 66 HIS HB3 3.350 . 4.350 3.914 3.877 3.951 . 0 0 "[ . 1]" 1
856 1 66 HIS H 1 66 HIS HD2 3.720 . 3.720 3.774 3.612 3.864 0.144 1 0 "[ . 1]" 1
857 1 66 HIS H 1 67 GLU H 4.440 . 4.440 4.296 4.226 4.337 . 0 0 "[ . 1]" 1
858 1 66 HIS HA 1 67 GLU H 2.630 . 2.630 2.179 2.136 2.219 . 0 0 "[ . 1]" 1
859 1 66 HIS HB2 1 67 GLU H 3.090 . 4.090 3.956 3.873 4.020 . 0 0 "[ . 1]" 1
860 1 66 HIS HB3 1 66 HIS HD2 3.810 . 3.810 3.833 3.784 3.904 0.094 7 0 "[ . 1]" 1
861 1 66 HIS HB3 1 67 GLU H 3.440 . 3.440 2.896 2.800 3.009 . 0 0 "[ . 1]" 1
862 1 66 HIS HD2 1 67 GLU H 5.930 . 5.930 6.113 6.049 6.171 0.241 5 0 "[ . 1]" 1
863 1 67 GLU H 1 67 GLU QB 2.970 . 2.970 2.336 2.143 2.387 . 0 0 "[ . 1]" 1
864 1 67 GLU H 1 67 GLU QG 3.480 . 3.480 2.764 2.482 3.332 . 0 0 "[ . 1]" 1
865 1 67 GLU H 1 68 ALA H 4.220 . 4.220 4.483 4.438 4.526 0.306 1 0 "[ . 1]" 1
866 1 67 GLU H 1 68 ALA MB 4.760 . 5.760 5.347 5.289 5.434 . 0 0 "[ . 1]" 1
867 1 67 GLU HA 1 68 ALA H 2.630 . 2.630 2.145 2.111 2.186 . 0 0 "[ . 1]" 1
868 1 67 GLU HA 1 68 ALA MB 4.070 . 4.070 3.916 3.853 3.968 . 0 0 "[ . 1]" 1
869 1 67 GLU QB 1 68 ALA H 3.220 . 3.220 3.069 2.799 3.230 0.010 7 0 "[ . 1]" 1
870 1 67 GLU QG 1 68 ALA H 3.890 . 3.890 3.955 3.844 4.024 0.134 4 0 "[ . 1]" 1
871 1 68 ALA H 1 68 ALA MB 2.970 . 2.970 2.364 2.269 2.484 . 0 0 "[ . 1]" 1
872 1 68 ALA H 1 69 GLU H 4.190 . 4.190 4.308 4.257 4.339 0.149 3 0 "[ . 1]" 1
873 1 68 ALA HA 1 69 GLU H 2.700 . 2.700 2.069 2.043 2.088 . 0 0 "[ . 1]" 1
874 1 68 ALA MB 1 69 GLU H 3.460 . 3.460 3.151 3.039 3.302 . 0 0 "[ . 1]" 1
875 1 69 GLU H 1 69 GLU QB 2.970 . 2.970 2.421 2.315 2.856 . 0 0 "[ . 1]" 1
876 1 69 GLU H 1 69 GLU QG 4.130 . 4.130 3.112 1.777 4.113 0.023 5 0 "[ . 1]" 1
877 1 69 GLU H 1 70 LEU H 4.270 . 4.270 4.242 4.225 4.267 . 0 0 "[ . 1]" 1
878 1 69 GLU HA 1 70 LEU H 2.650 . 2.650 2.154 2.128 2.175 . 0 0 "[ . 1]" 1
879 1 69 GLU HA 1 70 LEU QB 4.360 . 4.360 4.265 4.152 4.548 0.188 7 0 "[ . 1]" 1
880 1 69 GLU QB 1 70 LEU H 3.930 . 3.930 3.743 3.588 3.958 0.028 3 0 "[ . 1]" 1
881 1 69 GLU QG 1 70 LEU H 4.360 . 4.360 3.916 3.232 4.421 0.061 5 0 "[ . 1]" 1
882 1 70 LEU H 1 70 LEU HB2 3.800 . 3.800 2.584 2.361 2.959 . 0 0 "[ . 1]" 1
883 1 70 LEU H 1 70 LEU QB 3.070 . 3.070 2.394 2.331 2.601 . 0 0 "[ . 1]" 1
884 1 70 LEU H 1 70 LEU HB3 3.800 . 3.800 3.286 2.504 3.755 . 0 0 "[ . 1]" 1
885 1 70 LEU H 1 71 VAL H 4.470 . 4.470 4.500 4.486 4.512 0.042 4 0 "[ . 1]" 1
886 1 70 LEU H 1 71 VAL HA 4.990 . 4.990 5.122 5.095 5.150 0.160 2 0 "[ . 1]" 1
887 1 70 LEU HA 1 71 VAL H 2.940 . 2.940 2.186 2.141 2.230 . 0 0 "[ . 1]" 1
888 1 70 LEU HA 1 71 VAL QG 3.970 . 3.970 3.308 3.032 3.899 . 0 0 "[ . 1]" 1
889 1 70 LEU QB 1 71 VAL H 3.400 . 3.400 3.084 2.688 3.597 0.197 10 0 "[ . 1]" 1
890 1 70 LEU QB 1 86 VAL QG 3.490 . 5.890 5.458 4.278 6.011 0.121 2 0 "[ . 1]" 1
891 1 70 LEU HB2 1 71 VAL H 3.920 . 3.920 4.061 3.734 4.224 0.304 5 0 "[ . 1]" 1
892 1 70 LEU HB3 1 71 VAL H 3.920 . 3.920 3.252 2.756 4.033 0.113 10 0 "[ . 1]" 1
893 1 71 VAL H 1 71 VAL HB 3.670 . 3.670 3.182 2.437 3.877 0.207 6 0 "[ . 1]" 1
894 1 71 VAL H 1 71 VAL QG 3.210 . 3.210 2.270 1.957 2.784 . 0 0 "[ . 1]" 1
895 1 71 VAL H 1 72 LEU H 4.620 . 4.620 4.361 4.310 4.409 . 0 0 "[ . 1]" 1
896 1 71 VAL HA 1 72 LEU H 3.000 . 3.000 2.145 2.130 2.171 . 0 0 "[ . 1]" 1
897 1 71 VAL QG 1 72 LEU H 4.350 . 4.350 2.903 2.496 3.493 . 0 0 "[ . 1]" 1
898 1 72 LEU H 1 72 LEU HB2 3.840 . 3.840 2.260 2.217 2.378 . 0 0 "[ . 1]" 1
899 1 72 LEU H 1 72 LEU HB3 3.430 . 3.430 3.526 3.498 3.576 0.146 6 0 "[ . 1]" 1
900 1 72 LEU H 1 72 LEU QD 3.910 . 3.910 1.921 1.752 3.146 0.048 9 0 "[ . 1]" 1
901 1 72 LEU H 1 73 LYS H 4.720 . 4.720 4.534 4.453 4.610 . 0 0 "[ . 1]" 1
902 1 72 LEU HA 1 72 LEU QD 3.300 . 3.300 2.039 2.019 2.051 . 0 0 "[ . 1]" 1
903 1 72 LEU HA 1 72 LEU HG 3.950 . 3.950 3.598 3.023 3.673 . 0 0 "[ . 1]" 1
904 1 72 LEU HA 1 73 LYS H 2.930 . 2.930 2.143 2.072 2.219 . 0 0 "[ . 1]" 1
905 1 72 LEU HA 1 82 ILE MG 4.070 . 4.070 3.518 3.204 4.051 . 0 0 "[ . 1]" 1
906 1 72 LEU HB2 1 73 LYS H 3.750 . 5.250 4.368 4.315 4.453 . 0 0 "[ . 1]" 1
907 1 72 LEU HB2 1 82 ILE MG 3.720 . 3.720 3.562 3.429 3.830 0.110 4 0 "[ . 1]" 1
908 1 72 LEU HB3 1 73 LYS H 4.640 . 4.640 3.418 3.314 3.583 . 0 0 "[ . 1]" 1
909 1 72 LEU HB3 1 82 ILE MG 3.980 . 3.980 2.179 2.079 2.454 . 0 0 "[ . 1]" 1
910 1 72 LEU QD 1 82 ILE HB 3.260 . 3.260 2.915 2.393 3.291 0.031 3 0 "[ . 1]" 1
911 1 72 LEU HG 1 73 LYS H 5.670 . 5.670 5.281 5.038 5.407 . 0 0 "[ . 1]" 1
912 1 73 LYS H 1 73 LYS HB2 3.810 . 3.810 3.086 2.619 3.898 0.088 8 0 "[ . 1]" 1
913 1 73 LYS H 1 73 LYS QB 3.320 . 3.320 2.684 2.478 3.152 . 0 0 "[ . 1]" 1
914 1 73 LYS H 1 73 LYS HB3 3.810 . 3.810 3.165 2.637 3.817 0.007 9 0 "[ . 1]" 1
915 1 73 LYS H 1 74 PRO QD 4.350 . 4.350 4.097 3.411 4.313 . 0 0 "[ . 1]" 1
916 1 73 LYS H 1 82 ILE HA 4.850 . 4.850 4.772 4.595 5.019 0.169 6 0 "[ . 1]" 1
917 1 73 LYS H 1 82 ILE MG 3.520 . 3.520 3.187 2.917 3.518 . 0 0 "[ . 1]" 1
918 1 73 LYS H 1 83 GLY H 3.640 . 3.640 3.237 2.636 3.802 0.162 4 0 "[ . 1]" 1
919 1 73 LYS HA 1 74 PRO QD 3.400 . 3.400 2.073 2.043 2.115 . 0 0 "[ . 1]" 1
920 1 73 LYS QB 1 74 PRO QD 3.900 . 3.900 3.298 2.590 3.686 . 0 0 "[ . 1]" 1
921 1 73 LYS HB2 1 74 PRO QD 4.520 . 4.520 3.814 2.681 4.444 . 0 0 "[ . 1]" 1
922 1 73 LYS HB3 1 74 PRO QD 4.520 . 4.520 3.798 2.728 4.233 . 0 0 "[ . 1]" 1
923 1 74 PRO HA 1 75 PHE H 3.010 . 3.010 2.522 2.365 2.675 . 0 0 "[ . 1]" 1
924 1 74 PRO HA 1 81 GLN H 4.960 . 4.960 4.778 4.471 5.055 0.095 5 0 "[ . 1]" 1
925 1 74 PRO HA 1 82 ILE MG 3.850 . 3.850 3.294 2.436 3.635 . 0 0 "[ . 1]" 1
926 1 74 PRO HA 1 83 GLY H 4.010 . 4.010 3.614 2.567 4.260 0.250 2 0 "[ . 1]" 1
927 1 74 PRO HB2 1 75 PHE H 3.670 . 3.670 2.437 2.057 3.053 . 0 0 "[ . 1]" 1
928 1 74 PRO HB2 1 79 PRO HA 4.210 . 4.210 2.468 2.298 2.875 . 0 0 "[ . 1]" 1
929 1 74 PRO HB2 1 82 ILE MD 3.750 . 4.750 4.550 3.864 4.830 0.080 9 0 "[ . 1]" 1
930 1 74 PRO HB2 1 82 ILE MG 3.780 . 4.780 4.739 4.048 5.047 0.267 6 0 "[ . 1]" 1
931 1 74 PRO QD 1 75 PHE H 5.130 . 5.130 4.866 4.763 4.978 . 0 0 "[ . 1]" 1
932 1 74 PRO QD 1 82 ILE MD 5.360 . 5.360 4.318 3.528 4.853 . 0 0 "[ . 1]" 1
933 1 74 PRO QD 1 83 GLY H 5.100 . 5.100 4.954 4.192 5.536 0.436 2 0 "[ . 1]" 1
934 1 74 PRO HD3 1 75 PHE H 3.900 . 5.400 5.520 5.407 5.671 0.271 9 0 "[ . 1]" 1
935 1 74 PRO HD3 1 82 ILE MD 4.940 . 4.940 4.465 3.612 5.040 0.100 5 0 "[ . 1]" 1
936 1 74 PRO HD3 1 82 ILE MG 4.570 . 4.570 3.319 2.722 3.902 . 0 0 "[ . 1]" 1
937 1 74 PRO QG 1 82 ILE MD 4.820 . 4.820 4.264 2.497 4.879 0.059 6 0 "[ . 1]" 1
938 1 75 PHE H 1 75 PHE HB2 3.620 . 3.620 2.435 2.171 2.605 . 0 0 "[ . 1]" 1
939 1 75 PHE H 1 75 PHE QB 3.050 . 3.050 2.399 2.147 2.557 . 0 0 "[ . 1]" 1
940 1 75 PHE H 1 75 PHE HB3 3.620 . 3.620 3.626 3.340 3.754 0.134 1 0 "[ . 1]" 1
941 1 75 PHE H 1 75 PHE QD 3.810 . 3.810 2.889 2.736 3.166 . 0 0 "[ . 1]" 1
942 1 75 PHE H 1 79 PRO HA 4.280 . 4.280 2.861 1.842 3.578 . 0 0 "[ . 1]" 1
943 1 75 PHE H 1 80 ASN H 5.510 . 5.510 5.322 4.824 5.657 0.147 1 0 "[ . 1]" 1
944 1 75 PHE H 1 81 GLN H 4.350 . 4.350 3.928 3.541 4.173 . 0 0 "[ . 1]" 1
945 1 75 PHE H 1 81 GLN QB 4.280 . 4.280 4.207 3.884 4.483 0.203 5 0 "[ . 1]" 1
946 1 75 PHE H 1 82 ILE MG 4.800 . 5.800 5.284 4.611 5.716 . 0 0 "[ . 1]" 1
947 1 75 PHE QD 1 81 GLN QB 3.750 . 3.750 3.549 2.955 3.921 0.171 2 0 "[ . 1]" 1
948 1 77 HIS H 1 78 HIS H 5.010 . 5.010 2.485 2.340 2.818 . 0 0 "[ . 1]" 1
949 1 78 HIS H 1 79 PRO HD2 4.640 . 4.640 3.763 2.681 4.280 . 0 0 "[ . 1]" 1
950 1 78 HIS H 1 79 PRO QD 3.960 . 3.960 2.759 1.920 3.159 . 0 0 "[ . 1]" 1
951 1 78 HIS H 1 79 PRO HD3 4.640 . 4.640 2.845 1.967 3.310 . 0 0 "[ . 1]" 1
952 1 78 HIS H 1 81 GLN H 6.000 . 6.000 5.513 5.250 6.032 0.032 6 0 "[ . 1]" 1
953 1 78 HIS HA 1 79 PRO HD2 3.770 . 3.770 2.324 2.183 2.508 . 0 0 "[ . 1]" 1
954 1 78 HIS HA 1 79 PRO QD 3.280 . 3.280 2.231 2.142 2.374 . 0 0 "[ . 1]" 1
955 1 78 HIS HA 1 79 PRO HD3 3.770 . 3.770 3.031 2.528 3.523 . 0 0 "[ . 1]" 1
956 1 78 HIS HA 1 79 PRO QG 4.460 . 4.460 4.090 3.988 4.181 . 0 0 "[ . 1]" 1
957 1 78 HIS HA 1 80 ASN H 4.180 . 4.180 3.224 2.970 3.405 . 0 0 "[ . 1]" 1
958 1 78 HIS HA 1 80 ASN QB 4.400 . 4.400 4.272 3.769 4.516 0.116 8 0 "[ . 1]" 1
959 1 78 HIS QB 1 80 ASN H 4.410 . 4.410 3.766 3.518 4.162 . 0 0 "[ . 1]" 1
960 1 78 HIS QB 1 81 GLN H 4.260 . 4.260 3.686 3.378 4.409 0.149 7 0 "[ . 1]" 1
961 1 79 PRO HA 1 81 GLN H 4.360 . 4.360 3.389 3.089 3.562 . 0 0 "[ . 1]" 1
962 1 79 PRO QB 1 80 ASN H 3.990 . 3.990 3.399 2.854 3.640 . 0 0 "[ . 1]" 1
963 1 79 PRO QD 1 80 ASN H 3.610 . 3.610 2.839 2.594 3.111 . 0 0 "[ . 1]" 1
964 1 79 PRO HD2 1 80 ASN H 4.350 . 4.350 2.907 2.634 3.220 . 0 0 "[ . 1]" 1
965 1 79 PRO HD3 1 80 ASN H 4.350 . 4.350 3.991 3.878 4.118 . 0 0 "[ . 1]" 1
966 1 79 PRO QG 1 80 ASN H 3.320 . 3.820 3.157 2.610 3.943 0.123 10 0 "[ . 1]" 1
967 1 80 ASN H 1 80 ASN QB 3.070 . 3.070 2.330 2.233 2.519 . 0 0 "[ . 1]" 1
968 1 80 ASN H 1 81 GLN HA 5.240 . 5.240 5.205 4.976 5.419 0.179 6 0 "[ . 1]" 1
969 1 80 ASN H 1 81 GLN QB 4.500 . 4.500 4.280 3.947 4.658 0.158 5 0 "[ . 1]" 1
970 1 80 ASN QB 1 81 GLN H 3.880 . 3.880 3.520 3.094 3.761 . 0 0 "[ . 1]" 1
971 1 81 GLN H 1 81 GLN QB 3.250 . 3.250 2.571 2.380 2.706 . 0 0 "[ . 1]" 1
972 1 81 GLN H 1 82 ILE MD 4.950 . 4.950 3.895 3.213 5.268 0.318 7 0 "[ . 1]" 1
973 1 81 GLN H 1 82 ILE QG 5.550 . 5.550 5.180 3.874 5.627 0.077 10 0 "[ . 1]" 1
974 1 81 GLN H 1 82 ILE MG 4.520 . 5.520 5.547 4.528 5.992 0.472 10 0 "[ . 1]" 1
975 1 81 GLN QG 1 82 ILE MG 6.000 . 6.000 5.639 4.942 6.324 0.324 1 0 "[ . 1]" 1
976 1 82 ILE HA 1 82 ILE MD 3.650 . 3.650 2.662 2.337 3.872 0.222 7 0 "[ . 1]" 1
977 1 82 ILE HA 1 83 GLY H 3.050 . 3.050 2.413 2.202 2.641 . 0 0 "[ . 1]" 1
978 1 82 ILE HB 1 82 ILE MD 3.450 . 3.450 3.154 2.356 3.254 . 0 0 "[ . 1]" 1
979 1 82 ILE HB 1 83 GLY H 3.560 . 3.560 3.012 2.374 3.773 0.213 7 0 "[ . 1]" 1
980 1 82 ILE MG 1 83 GLY H 3.210 . 3.210 2.265 1.818 3.093 . 0 0 "[ . 1]" 1
981 1 84 LEU QB 1 85 GLY H 4.660 . 4.660 2.703 1.810 3.865 . 0 0 "[ . 1]" 1
982 1 86 VAL HA 1 87 THR H 3.120 . 3.120 2.349 2.206 2.511 . 0 0 "[ . 1]" 1
983 1 86 VAL HB 1 87 THR H 3.400 . 4.400 3.366 2.275 4.004 . 0 0 "[ . 1]" 1
984 1 86 VAL QG 1 87 THR H 3.570 . 3.570 2.397 1.999 3.111 . 0 0 "[ . 1]" 1
985 1 87 THR H 1 87 THR HB 3.890 . 3.890 2.647 2.427 3.907 0.017 3 0 "[ . 1]" 1
986 1 87 THR H 1 87 THR MG 3.950 . 3.950 3.322 2.081 3.869 . 0 0 "[ . 1]" 1
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