NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
571132 |
2mio   |
19684 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mio
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 831
_Distance_constraint_stats_list.Viol_count 740
_Distance_constraint_stats_list.Viol_total 1322.735
_Distance_constraint_stats_list.Viol_max 0.427
_Distance_constraint_stats_list.Viol_rms 0.0242
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0040
_Distance_constraint_stats_list.Viol_average_violations_only 0.0894
_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 11 MET 0.400 0.265 3 0 "[ . 1 . 2]"
1 12 ILE 1.458 0.265 3 0 "[ . 1 . 2]"
1 13 ARG 1.633 0.427 14 0 "[ . 1 . 2]"
1 14 SER 2.041 0.427 14 0 "[ . 1 . 2]"
1 15 ARG 4.045 0.310 19 0 "[ . 1 . 2]"
1 16 LYS 1.441 0.221 1 0 "[ . 1 . 2]"
1 17 ALA 1.263 0.221 1 0 "[ . 1 . 2]"
1 18 ARG 0.043 0.025 10 0 "[ . 1 . 2]"
1 19 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 VAL 2.414 0.222 18 0 "[ . 1 . 2]"
1 21 TYR 1.006 0.199 13 0 "[ . 1 . 2]"
1 22 PRO 0.460 0.262 2 0 "[ . 1 . 2]"
1 23 CYS 0.580 0.262 2 0 "[ . 1 . 2]"
1 24 GLU 0.779 0.144 4 0 "[ . 1 . 2]"
1 25 ALA 1.682 0.210 3 0 "[ . 1 . 2]"
1 26 GLU 0.404 0.132 19 0 "[ . 1 . 2]"
1 27 HIS 2.735 0.301 10 0 "[ . 1 . 2]"
1 28 SER 0.010 0.010 13 0 "[ . 1 . 2]"
1 29 SER 0.310 0.139 10 0 "[ . 1 . 2]"
1 30 GLU 3.889 0.301 10 0 "[ . 1 . 2]"
1 31 LEU 7.213 0.320 17 0 "[ . 1 . 2]"
1 32 SER 4.435 0.320 17 0 "[ . 1 . 2]"
1 33 PHE 0.126 0.058 5 0 "[ . 1 . 2]"
1 34 GLU 0.417 0.085 3 0 "[ . 1 . 2]"
1 35 ILE 2.813 0.152 14 0 "[ . 1 . 2]"
1 36 GLY 2.301 0.152 14 0 "[ . 1 . 2]"
1 37 ALA 4.269 0.239 20 0 "[ . 1 . 2]"
1 38 ILE 3.645 0.239 20 0 "[ . 1 . 2]"
1 39 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 GLU 1.456 0.234 1 0 "[ . 1 . 2]"
1 41 ASP 1.480 0.234 1 0 "[ . 1 . 2]"
1 42 VAL 0.874 0.155 7 0 "[ . 1 . 2]"
1 43 GLN 0.047 0.047 16 0 "[ . 1 . 2]"
1 44 THR 5.699 0.284 18 0 "[ . 1 . 2]"
1 45 SER 3.651 0.284 18 0 "[ . 1 . 2]"
1 46 ARG 0.429 0.173 5 0 "[ . 1 . 2]"
1 47 GLU 5.092 0.238 4 0 "[ . 1 . 2]"
1 48 PRO 0.929 0.304 17 0 "[ . 1 . 2]"
1 49 GLY 0.304 0.304 17 0 "[ . 1 . 2]"
1 50 TRP 9.226 0.307 13 0 "[ . 1 . 2]"
1 51 LEU 3.027 0.210 12 0 "[ . 1 . 2]"
1 52 GLU 0.695 0.298 9 0 "[ . 1 . 2]"
1 53 GLY 1.218 0.298 9 0 "[ . 1 . 2]"
1 54 THR 1.682 0.130 12 0 "[ . 1 . 2]"
1 55 LEU 5.469 0.330 5 0 "[ . 1 . 2]"
1 56 ASN 1.699 0.164 19 0 "[ . 1 . 2]"
1 57 GLY 1.216 0.149 19 0 "[ . 1 . 2]"
1 58 LYS 4.962 0.330 5 0 "[ . 1 . 2]"
1 59 ARG 2.313 0.184 20 0 "[ . 1 . 2]"
1 60 GLY 0.589 0.109 7 0 "[ . 1 . 2]"
1 61 LEU 6.773 0.307 13 0 "[ . 1 . 2]"
1 62 ILE 1.690 0.192 14 0 "[ . 1 . 2]"
1 63 PRO 1.975 0.185 10 0 "[ . 1 . 2]"
1 64 GLN 3.178 0.252 12 0 "[ . 1 . 2]"
1 65 ASN 1.950 0.257 15 0 "[ . 1 . 2]"
1 66 TYR 2.159 0.257 15 0 "[ . 1 . 2]"
1 67 VAL 0.957 0.145 1 0 "[ . 1 . 2]"
1 68 LYS 2.662 0.222 18 0 "[ . 1 . 2]"
1 69 LEU 1.592 0.159 7 0 "[ . 1 . 2]"
1 70 LEU 0.066 0.051 13 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 11 MET HA 1 12 ILE H 3.210 . 3.210 2.488 2.146 3.475 0.265 3 0 "[ . 1 . 2]" 1
2 1 11 MET HA 1 12 ILE HA 4.810 . 4.810 4.508 4.287 4.797 . 0 0 "[ . 1 . 2]" 1
3 1 11 MET QB 1 12 ILE H 4.440 . 4.440 3.303 1.906 4.076 . 0 0 "[ . 1 . 2]" 1
4 1 11 MET HB2 1 12 ILE H 5.140 . 5.140 4.124 3.258 4.582 . 0 0 "[ . 1 . 2]" 1
5 1 11 MET HB3 1 12 ILE H 5.140 . 5.140 3.564 1.915 4.568 . 0 0 "[ . 1 . 2]" 1
6 1 12 ILE H 1 12 ILE HB 3.620 . 3.620 3.073 2.492 3.718 0.098 7 0 "[ . 1 . 2]" 1
7 1 12 ILE H 1 12 ILE MD 5.160 . 5.160 3.027 1.838 4.463 . 0 0 "[ . 1 . 2]" 1
8 1 12 ILE H 1 12 ILE HG12 4.260 . 4.260 3.331 2.008 4.404 0.144 18 0 "[ . 1 . 2]" 1
9 1 12 ILE H 1 12 ILE HG13 4.260 . 4.260 3.176 1.873 4.326 0.066 17 0 "[ . 1 . 2]" 1
10 1 12 ILE H 1 12 ILE MG 4.670 . 4.670 3.582 2.175 4.098 . 0 0 "[ . 1 . 2]" 1
11 1 12 ILE HA 1 12 ILE MD 4.200 . 4.200 3.326 2.159 4.265 0.065 4 0 "[ . 1 . 2]" 1
12 1 12 ILE HA 1 12 ILE MG 3.550 . 3.550 2.441 2.273 2.565 . 0 0 "[ . 1 . 2]" 1
13 1 12 ILE HA 1 13 ARG H 3.300 . 3.300 2.363 2.095 3.449 0.149 11 0 "[ . 1 . 2]" 1
14 1 12 ILE HA 1 13 ARG HA 5.140 . 5.140 4.474 4.318 4.905 . 0 0 "[ . 1 . 2]" 1
15 1 12 ILE HB 1 13 ARG H 4.590 . 4.590 4.185 2.362 4.575 . 0 0 "[ . 1 . 2]" 1
16 1 12 ILE QG 1 12 ILE MG 3.280 . 3.280 2.268 2.132 2.435 . 0 0 "[ . 1 . 2]" 1
17 1 12 ILE MG 1 13 ARG H 4.410 . 4.410 3.584 2.914 4.364 . 0 0 "[ . 1 . 2]" 1
18 1 13 ARG H 1 13 ARG QB 3.620 . 3.620 2.832 2.179 3.312 . 0 0 "[ . 1 . 2]" 1
19 1 13 ARG H 1 13 ARG QG 4.320 . 4.320 3.245 1.972 4.333 0.013 1 0 "[ . 1 . 2]" 1
20 1 13 ARG HA 1 13 ARG QG 3.810 . 3.810 3.032 2.452 3.465 . 0 0 "[ . 1 . 2]" 1
21 1 13 ARG HA 1 14 SER H 3.190 . 3.190 2.649 2.114 3.495 0.305 15 0 "[ . 1 . 2]" 1
22 1 13 ARG QB 1 14 SER H 4.230 . 4.230 3.280 1.949 4.050 . 0 0 "[ . 1 . 2]" 1
23 1 13 ARG QG 1 14 SER H 4.510 . 4.510 2.976 1.608 3.975 . 0 0 "[ . 1 . 2]" 1
24 1 13 ARG QG 1 14 SER HB2 4.560 . 4.560 3.404 2.620 4.987 0.427 14 0 "[ . 1 . 2]" 1
25 1 13 ARG QG 1 14 SER HB3 4.560 . 4.560 3.943 2.861 4.662 0.102 4 0 "[ . 1 . 2]" 1
26 1 14 SER H 1 14 SER QB 3.600 . 3.600 2.949 2.269 3.382 . 0 0 "[ . 1 . 2]" 1
27 1 14 SER H 1 15 ARG H 4.010 . 4.010 3.100 1.787 4.307 0.297 16 0 "[ . 1 . 2]" 1
28 1 14 SER HA 1 15 ARG H 3.120 . 3.120 2.554 2.108 3.283 0.163 7 0 "[ . 1 . 2]" 1
29 1 14 SER QB 1 15 ARG H 4.160 . 4.160 3.875 2.892 4.101 . 0 0 "[ . 1 . 2]" 1
30 1 14 SER HB2 1 15 ARG H 4.840 . 4.840 4.488 3.702 4.659 . 0 0 "[ . 1 . 2]" 1
31 1 14 SER HB3 1 15 ARG H 4.840 . 4.840 4.262 3.019 4.640 . 0 0 "[ . 1 . 2]" 1
32 1 15 ARG H 1 15 ARG QB 3.280 . 3.280 2.371 2.108 2.727 . 0 0 "[ . 1 . 2]" 1
33 1 15 ARG H 1 15 ARG QD 4.870 . 4.870 4.354 3.400 4.984 0.114 19 0 "[ . 1 . 2]" 1
34 1 15 ARG H 1 15 ARG QG 4.540 . 4.540 3.285 2.485 4.146 . 0 0 "[ . 1 . 2]" 1
35 1 15 ARG H 1 41 ASP H 4.380 . 4.380 3.902 2.824 4.538 0.158 4 0 "[ . 1 . 2]" 1
36 1 15 ARG H 1 42 VAL H 4.150 . 4.150 3.276 2.558 4.283 0.133 15 0 "[ . 1 . 2]" 1
37 1 15 ARG HA 1 15 ARG QD 3.690 . 3.690 2.984 2.015 4.000 0.310 19 0 "[ . 1 . 2]" 1
38 1 15 ARG HA 1 16 LYS H 3.000 . 3.000 2.317 2.054 2.480 . 0 0 "[ . 1 . 2]" 1
39 1 15 ARG QB 1 16 LYS H 3.590 . 3.590 2.996 2.339 3.647 0.057 13 0 "[ . 1 . 2]" 1
40 1 15 ARG QB 1 42 VAL H 4.280 . 4.280 2.973 1.816 4.061 . 0 0 "[ . 1 . 2]" 1
41 1 15 ARG QB 1 42 VAL MG2 4.490 . 4.490 3.496 2.982 3.947 . 0 0 "[ . 1 . 2]" 1
42 1 15 ARG QB 1 69 LEU MD1 4.820 . 4.820 4.197 3.275 4.963 0.143 14 0 "[ . 1 . 2]" 1
43 1 15 ARG QB 1 69 LEU MD2 5.340 . 5.340 3.463 2.274 4.709 . 0 0 "[ . 1 . 2]" 1
44 1 15 ARG HB2 1 42 VAL MG2 5.260 . 5.260 4.312 3.201 5.309 0.049 11 0 "[ . 1 . 2]" 1
45 1 15 ARG HB3 1 42 VAL MG2 5.260 . 5.260 3.832 3.055 4.482 . 0 0 "[ . 1 . 2]" 1
46 1 15 ARG QD 1 16 LYS H 4.470 . 4.470 3.347 1.633 4.534 0.064 14 0 "[ . 1 . 2]" 1
47 1 15 ARG QD 1 42 VAL MG2 5.500 . 5.500 4.847 3.462 5.655 0.155 7 0 "[ . 1 . 2]" 1
48 1 15 ARG QD 1 69 LEU QB 4.490 . 4.490 3.053 1.742 4.649 0.159 7 0 "[ . 1 . 2]" 1
49 1 15 ARG QD 1 69 LEU MD1 4.440 . 4.440 3.174 2.023 4.482 0.042 7 0 "[ . 1 . 2]" 1
50 1 15 ARG QD 1 69 LEU MD2 5.500 . 5.500 3.362 2.373 5.468 . 0 0 "[ . 1 . 2]" 1
51 1 16 LYS H 1 16 LYS QB 3.170 . 3.170 2.531 2.372 2.632 . 0 0 "[ . 1 . 2]" 1
52 1 16 LYS H 1 16 LYS QD 4.890 . 4.890 4.270 3.980 4.512 . 0 0 "[ . 1 . 2]" 1
53 1 16 LYS H 1 16 LYS QG 4.480 . 4.480 2.943 2.691 3.262 . 0 0 "[ . 1 . 2]" 1
54 1 16 LYS H 1 42 VAL MG2 4.510 . 4.510 4.152 3.964 4.359 . 0 0 "[ . 1 . 2]" 1
55 1 16 LYS HA 1 16 LYS QD 4.490 . 4.490 4.180 3.986 4.319 . 0 0 "[ . 1 . 2]" 1
56 1 16 LYS HA 1 16 LYS QG 3.440 . 3.440 2.445 2.355 2.537 . 0 0 "[ . 1 . 2]" 1
57 1 16 LYS HA 1 17 ALA H 3.000 . 3.000 2.372 2.204 2.533 . 0 0 "[ . 1 . 2]" 1
58 1 16 LYS HA 1 39 PHE H 4.780 . 4.780 4.419 3.909 4.717 . 0 0 "[ . 1 . 2]" 1
59 1 16 LYS HA 1 40 GLU H 5.500 . 5.500 4.868 4.450 5.219 . 0 0 "[ . 1 . 2]" 1
60 1 16 LYS HA 1 41 ASP H 4.500 . 4.500 3.859 3.576 4.180 . 0 0 "[ . 1 . 2]" 1
61 1 16 LYS HA 1 42 VAL H 4.550 . 4.550 3.707 3.131 4.070 . 0 0 "[ . 1 . 2]" 1
62 1 16 LYS HA 1 42 VAL MG2 3.520 . 3.520 2.518 2.100 3.072 . 0 0 "[ . 1 . 2]" 1
63 1 16 LYS QB 1 17 ALA H 3.370 . 3.370 2.426 2.074 2.878 . 0 0 "[ . 1 . 2]" 1
64 1 16 LYS QB 1 38 ILE MG 4.210 . 4.210 2.870 2.599 3.205 . 0 0 "[ . 1 . 2]" 1
65 1 16 LYS QB 1 70 LEU MD1 3.590 . 3.590 2.405 1.942 3.251 . 0 0 "[ . 1 . 2]" 1
66 1 16 LYS HB2 1 70 LEU MD1 4.320 . 4.320 3.122 2.165 3.908 . 0 0 "[ . 1 . 2]" 1
67 1 16 LYS HB3 1 70 LEU MD1 4.320 . 4.320 2.527 2.031 3.478 . 0 0 "[ . 1 . 2]" 1
68 1 16 LYS QD 1 38 ILE MG 4.720 . 4.720 3.462 2.374 4.278 . 0 0 "[ . 1 . 2]" 1
69 1 16 LYS QD 1 70 LEU MD1 5.210 . 5.210 3.476 2.428 4.602 . 0 0 "[ . 1 . 2]" 1
70 1 16 LYS QE 1 38 ILE MG 4.060 . 4.060 2.958 2.084 4.103 0.043 19 0 "[ . 1 . 2]" 1
71 1 16 LYS QE 1 70 LEU MD1 4.960 . 4.960 3.537 1.976 5.011 0.051 13 0 "[ . 1 . 2]" 1
72 1 16 LYS QG 1 17 ALA H 3.810 . 3.810 3.806 3.524 4.031 0.221 1 0 "[ . 1 . 2]" 1
73 1 17 ALA H 1 17 ALA MB 3.600 . 3.600 2.709 2.634 2.767 . 0 0 "[ . 1 . 2]" 1
74 1 17 ALA H 1 38 ILE HA 4.810 . 4.810 4.117 3.902 4.465 . 0 0 "[ . 1 . 2]" 1
75 1 17 ALA H 1 38 ILE MG 4.230 . 4.230 3.257 2.860 3.666 . 0 0 "[ . 1 . 2]" 1
76 1 17 ALA H 1 39 PHE H 3.550 . 3.550 2.612 2.418 2.875 . 0 0 "[ . 1 . 2]" 1
77 1 17 ALA H 1 39 PHE HA 5.350 . 5.350 4.729 4.482 4.883 . 0 0 "[ . 1 . 2]" 1
78 1 17 ALA H 1 39 PHE HB2 4.000 . 4.000 3.092 2.891 3.556 . 0 0 "[ . 1 . 2]" 1
79 1 17 ALA H 1 39 PHE QD 4.570 . 4.570 3.853 3.454 4.217 . 0 0 "[ . 1 . 2]" 1
80 1 17 ALA H 1 42 VAL MG2 3.680 . 3.680 2.886 2.511 3.279 . 0 0 "[ . 1 . 2]" 1
81 1 17 ALA HA 1 18 ARG H 3.010 . 3.010 2.312 2.190 2.395 . 0 0 "[ . 1 . 2]" 1
82 1 17 ALA HA 1 42 VAL MG2 4.660 . 4.660 3.870 3.662 4.060 . 0 0 "[ . 1 . 2]" 1
83 1 17 ALA HA 1 69 LEU HA 3.510 . 3.510 2.272 2.018 2.537 . 0 0 "[ . 1 . 2]" 1
84 1 17 ALA HA 1 70 LEU H 3.390 . 3.390 2.143 1.800 2.496 . 0 0 "[ . 1 . 2]" 1
85 1 17 ALA HA 1 70 LEU QB 4.950 . 4.950 3.706 3.352 4.261 . 0 0 "[ . 1 . 2]" 1
86 1 17 ALA HA 1 70 LEU MD1 4.420 . 4.420 3.710 3.364 4.160 . 0 0 "[ . 1 . 2]" 1
87 1 17 ALA HA 1 70 LEU MD2 4.420 . 4.420 3.836 3.569 4.070 . 0 0 "[ . 1 . 2]" 1
88 1 17 ALA HA 1 70 LEU HG 3.590 . 3.590 2.480 2.223 2.895 . 0 0 "[ . 1 . 2]" 1
89 1 17 ALA MB 1 18 ARG H 3.400 . 3.400 2.610 2.345 2.963 . 0 0 "[ . 1 . 2]" 1
90 1 17 ALA MB 1 18 ARG HA 4.910 . 4.910 4.006 3.852 4.192 . 0 0 "[ . 1 . 2]" 1
91 1 17 ALA MB 1 38 ILE MG 4.910 . 4.910 4.656 4.339 4.967 0.057 16 0 "[ . 1 . 2]" 1
92 1 17 ALA MB 1 39 PHE H 4.330 . 4.330 3.309 3.022 3.629 . 0 0 "[ . 1 . 2]" 1
93 1 17 ALA MB 1 39 PHE HB2 3.850 . 3.850 2.156 1.808 2.563 . 0 0 "[ . 1 . 2]" 1
94 1 17 ALA MB 1 39 PHE HB3 4.350 . 4.350 3.660 3.323 4.053 . 0 0 "[ . 1 . 2]" 1
95 1 17 ALA MB 1 39 PHE QD 3.620 . 3.620 2.148 1.938 2.423 . 0 0 "[ . 1 . 2]" 1
96 1 17 ALA MB 1 42 VAL HB 3.870 . 3.870 3.551 3.244 3.863 . 0 0 "[ . 1 . 2]" 1
97 1 17 ALA MB 1 42 VAL MG2 3.240 . 3.240 2.017 1.752 2.226 . 0 0 "[ . 1 . 2]" 1
98 1 17 ALA MB 1 62 ILE MD 4.820 . 4.820 3.695 3.266 3.952 . 0 0 "[ . 1 . 2]" 1
99 1 17 ALA MB 1 67 VAL HA 4.540 . 4.540 4.169 3.897 4.600 0.060 2 0 "[ . 1 . 2]" 1
100 1 17 ALA MB 1 67 VAL HB 3.200 . 3.200 2.095 1.839 2.551 . 0 0 "[ . 1 . 2]" 1
101 1 17 ALA MB 1 67 VAL MG1 3.620 . 3.620 3.086 2.779 3.471 . 0 0 "[ . 1 . 2]" 1
102 1 17 ALA MB 1 67 VAL MG2 3.170 . 3.170 2.686 2.482 2.932 . 0 0 "[ . 1 . 2]" 1
103 1 17 ALA MB 1 68 LYS H 4.220 . 4.220 3.210 2.915 3.814 . 0 0 "[ . 1 . 2]" 1
104 1 17 ALA MB 1 69 LEU H 4.690 . 4.690 4.199 3.956 4.506 . 0 0 "[ . 1 . 2]" 1
105 1 17 ALA MB 1 69 LEU HA 3.620 . 3.620 2.685 2.516 2.922 . 0 0 "[ . 1 . 2]" 1
106 1 17 ALA MB 1 69 LEU MD2 3.520 . 3.520 2.016 1.852 2.155 . 0 0 "[ . 1 . 2]" 1
107 1 17 ALA MB 1 70 LEU H 4.120 . 4.120 3.594 3.281 3.960 . 0 0 "[ . 1 . 2]" 1
108 1 18 ARG H 1 18 ARG QB 3.320 . 3.320 2.554 2.356 2.665 . 0 0 "[ . 1 . 2]" 1
109 1 18 ARG H 1 67 VAL HA 4.620 . 4.620 4.371 4.055 4.645 0.025 10 0 "[ . 1 . 2]" 1
110 1 18 ARG H 1 67 VAL MG1 5.430 . 5.430 4.466 3.960 4.854 . 0 0 "[ . 1 . 2]" 1
111 1 18 ARG H 1 67 VAL MG2 5.500 . 5.500 4.616 4.236 4.980 . 0 0 "[ . 1 . 2]" 1
112 1 18 ARG H 1 69 LEU HA 4.400 . 4.400 3.879 3.697 4.160 . 0 0 "[ . 1 . 2]" 1
113 1 18 ARG H 1 70 LEU H 4.400 . 4.400 3.931 3.698 4.362 . 0 0 "[ . 1 . 2]" 1
114 1 18 ARG H 1 70 LEU MD1 4.490 . 4.490 3.766 3.335 4.132 . 0 0 "[ . 1 . 2]" 1
115 1 18 ARG H 1 70 LEU MD2 4.310 . 4.310 3.484 2.894 3.985 . 0 0 "[ . 1 . 2]" 1
116 1 18 ARG HA 1 18 ARG QG 3.690 . 3.690 2.511 2.446 2.590 . 0 0 "[ . 1 . 2]" 1
117 1 18 ARG HA 1 19 ALA H 2.840 . 2.840 2.133 2.101 2.163 . 0 0 "[ . 1 . 2]" 1
118 1 18 ARG HA 1 19 ALA MB 4.690 . 4.690 3.992 3.945 4.037 . 0 0 "[ . 1 . 2]" 1
119 1 18 ARG HA 1 38 ILE HA 3.740 . 3.740 2.576 2.414 2.733 . 0 0 "[ . 1 . 2]" 1
120 1 18 ARG HA 1 38 ILE MD 3.680 . 3.680 2.493 2.190 2.984 . 0 0 "[ . 1 . 2]" 1
121 1 18 ARG HA 1 39 PHE H 4.270 . 4.270 3.737 3.246 4.059 . 0 0 "[ . 1 . 2]" 1
122 1 18 ARG HA 1 39 PHE QD 4.800 . 4.800 3.563 3.171 3.887 . 0 0 "[ . 1 . 2]" 1
123 1 18 ARG HA 1 39 PHE QE 5.400 . 5.400 3.968 3.551 4.437 . 0 0 "[ . 1 . 2]" 1
124 1 18 ARG HA 1 70 LEU MD1 4.830 . 4.830 3.671 3.378 4.160 . 0 0 "[ . 1 . 2]" 1
125 1 18 ARG QB 1 38 ILE MD 4.090 . 4.090 2.366 2.071 2.581 . 0 0 "[ . 1 . 2]" 1
126 1 18 ARG QB 1 70 LEU MD2 4.600 . 4.600 2.238 1.888 2.735 . 0 0 "[ . 1 . 2]" 1
127 1 18 ARG QD 1 19 ALA H 5.170 . 5.170 5.024 4.769 5.134 . 0 0 "[ . 1 . 2]" 1
128 1 18 ARG QD 1 36 GLY HA2 4.890 . 4.890 3.599 2.347 4.565 . 0 0 "[ . 1 . 2]" 1
129 1 18 ARG QD 1 38 ILE MD 3.820 . 3.820 2.796 2.020 3.556 . 0 0 "[ . 1 . 2]" 1
130 1 18 ARG QD 1 70 LEU MD1 4.530 . 4.530 3.327 2.793 4.224 . 0 0 "[ . 1 . 2]" 1
131 1 18 ARG QD 1 70 LEU MD2 4.180 . 4.180 3.133 2.556 4.104 . 0 0 "[ . 1 . 2]" 1
132 1 18 ARG QG 1 19 ALA H 3.600 . 3.600 2.999 2.791 3.094 . 0 0 "[ . 1 . 2]" 1
133 1 18 ARG QG 1 36 GLY H 4.270 . 4.270 3.187 2.818 3.512 . 0 0 "[ . 1 . 2]" 1
134 1 18 ARG QG 1 36 GLY HA2 4.200 . 4.200 2.624 2.302 3.046 . 0 0 "[ . 1 . 2]" 1
135 1 18 ARG QG 1 36 GLY HA3 4.940 . 4.940 4.094 3.816 4.562 . 0 0 "[ . 1 . 2]" 1
136 1 18 ARG QG 1 38 ILE MD 3.750 . 3.750 2.264 2.061 2.675 . 0 0 "[ . 1 . 2]" 1
137 1 19 ALA H 1 19 ALA MB 3.090 . 3.090 2.230 2.202 2.248 . 0 0 "[ . 1 . 2]" 1
138 1 19 ALA H 1 20 VAL H 4.850 . 4.850 4.408 4.371 4.460 . 0 0 "[ . 1 . 2]" 1
139 1 19 ALA H 1 36 GLY H 4.550 . 4.550 3.577 3.273 3.986 . 0 0 "[ . 1 . 2]" 1
140 1 19 ALA H 1 37 ALA H 4.120 . 4.120 3.553 3.173 3.883 . 0 0 "[ . 1 . 2]" 1
141 1 19 ALA H 1 37 ALA MB 4.080 . 4.080 3.251 2.889 3.497 . 0 0 "[ . 1 . 2]" 1
142 1 19 ALA H 1 38 ILE MD 4.330 . 4.330 3.908 3.495 4.283 . 0 0 "[ . 1 . 2]" 1
143 1 19 ALA H 1 39 PHE QE 3.910 . 3.910 2.701 2.395 3.070 . 0 0 "[ . 1 . 2]" 1
144 1 19 ALA H 1 67 VAL MG1 4.570 . 4.570 3.492 3.152 3.725 . 0 0 "[ . 1 . 2]" 1
145 1 19 ALA HA 1 20 VAL H 3.030 . 3.030 2.147 2.112 2.181 . 0 0 "[ . 1 . 2]" 1
146 1 19 ALA HA 1 21 TYR H 3.820 . 3.820 3.435 3.228 3.594 . 0 0 "[ . 1 . 2]" 1
147 1 19 ALA HA 1 67 VAL HA 3.470 . 3.470 2.168 1.927 2.411 . 0 0 "[ . 1 . 2]" 1
148 1 19 ALA HA 1 67 VAL MG1 3.350 . 3.350 2.042 1.885 2.187 . 0 0 "[ . 1 . 2]" 1
149 1 19 ALA MB 1 20 VAL H 3.980 . 3.980 3.324 3.242 3.366 . 0 0 "[ . 1 . 2]" 1
150 1 19 ALA MB 1 21 TYR H 3.840 . 3.840 3.383 3.124 3.662 . 0 0 "[ . 1 . 2]" 1
151 1 19 ALA MB 1 33 PHE QD 3.720 . 3.720 2.177 2.006 2.363 . 0 0 "[ . 1 . 2]" 1
152 1 19 ALA MB 1 35 ILE HA 3.530 . 3.530 2.657 2.316 2.945 . 0 0 "[ . 1 . 2]" 1
153 1 19 ALA MB 1 36 GLY H 3.480 . 3.480 2.445 1.947 3.054 . 0 0 "[ . 1 . 2]" 1
154 1 19 ALA MB 1 36 GLY HA2 5.040 . 5.040 4.331 3.898 4.814 . 0 0 "[ . 1 . 2]" 1
155 1 19 ALA MB 1 37 ALA H 3.090 . 3.090 2.290 1.983 2.683 . 0 0 "[ . 1 . 2]" 1
156 1 19 ALA MB 1 37 ALA MB 3.280 . 3.280 2.110 1.909 2.314 . 0 0 "[ . 1 . 2]" 1
157 1 19 ALA MB 1 39 PHE QE 3.360 . 3.360 2.087 1.879 2.466 . 0 0 "[ . 1 . 2]" 1
158 1 19 ALA MB 1 39 PHE HZ 3.940 . 3.940 2.728 2.347 3.333 . 0 0 "[ . 1 . 2]" 1
159 1 19 ALA MB 1 62 ILE MG 4.880 . 4.880 4.432 4.039 4.668 . 0 0 "[ . 1 . 2]" 1
160 1 19 ALA MB 1 67 VAL HA 4.740 . 4.740 3.864 3.624 4.101 . 0 0 "[ . 1 . 2]" 1
161 1 19 ALA MB 1 67 VAL MG1 3.950 . 3.950 2.601 2.347 2.920 . 0 0 "[ . 1 . 2]" 1
162 1 20 VAL H 1 20 VAL HB 4.090 . 4.090 3.698 3.664 3.736 . 0 0 "[ . 1 . 2]" 1
163 1 20 VAL H 1 20 VAL MG1 4.070 . 4.070 2.749 2.594 2.882 . 0 0 "[ . 1 . 2]" 1
164 1 20 VAL H 1 20 VAL MG2 3.240 . 3.240 1.969 1.911 2.019 . 0 0 "[ . 1 . 2]" 1
165 1 20 VAL H 1 21 TYR H 2.900 . 2.900 2.143 2.020 2.250 . 0 0 "[ . 1 . 2]" 1
166 1 20 VAL H 1 67 VAL HA 3.370 . 3.370 2.311 2.060 2.500 . 0 0 "[ . 1 . 2]" 1
167 1 20 VAL H 1 67 VAL HB 4.900 . 4.900 4.622 4.389 4.833 . 0 0 "[ . 1 . 2]" 1
168 1 20 VAL H 1 67 VAL MG1 4.160 . 4.160 3.620 3.468 3.782 . 0 0 "[ . 1 . 2]" 1
169 1 20 VAL H 1 68 LYS H 3.980 . 3.980 3.816 3.542 4.030 0.050 3 0 "[ . 1 . 2]" 1
170 1 20 VAL HA 1 20 VAL MG1 3.320 . 3.320 2.341 2.303 2.387 . 0 0 "[ . 1 . 2]" 1
171 1 20 VAL HA 1 20 VAL MG2 3.690 . 3.690 3.272 3.250 3.290 . 0 0 "[ . 1 . 2]" 1
172 1 20 VAL HA 1 35 ILE HG12 4.780 . 4.780 3.673 3.142 4.172 . 0 0 "[ . 1 . 2]" 1
173 1 20 VAL HA 1 35 ILE MG 3.650 . 3.650 2.382 2.054 2.975 . 0 0 "[ . 1 . 2]" 1
174 1 20 VAL HA 1 36 GLY H 4.660 . 4.660 4.150 3.757 4.372 . 0 0 "[ . 1 . 2]" 1
175 1 20 VAL HB 1 21 TYR H 4.360 . 4.360 4.048 3.749 4.230 . 0 0 "[ . 1 . 2]" 1
176 1 20 VAL MG1 1 21 TYR H 4.730 . 4.730 4.186 4.100 4.286 . 0 0 "[ . 1 . 2]" 1
177 1 20 VAL MG1 1 67 VAL HA 4.450 . 4.450 3.556 3.309 3.724 . 0 0 "[ . 1 . 2]" 1
178 1 20 VAL MG1 1 68 LYS H 4.180 . 4.180 3.208 2.796 3.474 . 0 0 "[ . 1 . 2]" 1
179 1 20 VAL MG1 1 68 LYS HB2 3.690 . 3.690 2.248 2.000 2.595 . 0 0 "[ . 1 . 2]" 1
180 1 20 VAL MG1 1 68 LYS HB3 4.240 . 4.240 2.582 2.274 3.766 . 0 0 "[ . 1 . 2]" 1
181 1 20 VAL MG2 1 21 TYR H 3.770 . 3.770 2.612 2.272 2.907 . 0 0 "[ . 1 . 2]" 1
182 1 20 VAL MG2 1 21 TYR QD 3.640 . 3.640 2.705 2.360 3.195 . 0 0 "[ . 1 . 2]" 1
183 1 20 VAL MG2 1 21 TYR QE 4.060 . 4.060 3.067 2.771 3.490 . 0 0 "[ . 1 . 2]" 1
184 1 20 VAL MG2 1 66 TYR HA 3.860 . 3.860 3.156 2.880 3.442 . 0 0 "[ . 1 . 2]" 1
185 1 20 VAL MG2 1 67 VAL HA 3.650 . 3.650 2.633 2.386 3.014 . 0 0 "[ . 1 . 2]" 1
186 1 20 VAL MG2 1 68 LYS H 4.060 . 4.060 3.506 3.015 3.958 . 0 0 "[ . 1 . 2]" 1
187 1 20 VAL MG2 1 68 LYS HB2 4.020 . 4.020 2.884 2.480 3.895 . 0 0 "[ . 1 . 2]" 1
188 1 20 VAL MG2 1 68 LYS HB3 4.530 . 4.530 3.928 3.454 4.737 0.207 3 0 "[ . 1 . 2]" 1
189 1 20 VAL MG2 1 68 LYS QD 4.540 . 4.540 3.918 2.266 4.516 . 0 0 "[ . 1 . 2]" 1
190 1 20 VAL MG2 1 68 LYS QG 4.230 . 4.230 4.219 2.227 4.452 0.222 18 0 "[ . 1 . 2]" 1
191 1 21 TYR H 1 21 TYR QB 3.470 . 3.470 2.699 2.583 2.814 . 0 0 "[ . 1 . 2]" 1
192 1 21 TYR H 1 21 TYR QD 4.670 . 4.670 3.520 3.392 3.693 . 0 0 "[ . 1 . 2]" 1
193 1 21 TYR H 1 66 TYR QB 4.660 . 4.660 3.385 3.233 3.571 . 0 0 "[ . 1 . 2]" 1
194 1 21 TYR H 1 67 VAL HA 4.780 . 4.780 3.928 3.794 4.122 . 0 0 "[ . 1 . 2]" 1
195 1 21 TYR QB 1 22 PRO HD2 3.450 . 3.450 2.450 2.291 2.700 . 0 0 "[ . 1 . 2]" 1
196 1 21 TYR QB 1 22 PRO HD3 4.190 . 4.190 3.591 3.348 3.837 . 0 0 "[ . 1 . 2]" 1
197 1 21 TYR QB 1 66 TYR HA 4.480 . 4.480 2.169 1.941 2.714 . 0 0 "[ . 1 . 2]" 1
198 1 21 TYR QB 1 66 TYR QB 4.260 . 4.260 2.616 2.369 2.869 . 0 0 "[ . 1 . 2]" 1
199 1 21 TYR QB 1 66 TYR QD 4.570 . 4.570 2.670 1.570 3.091 . 0 0 "[ . 1 . 2]" 1
200 1 21 TYR QB 1 66 TYR QE 4.640 . 4.640 3.762 3.236 4.186 . 0 0 "[ . 1 . 2]" 1
201 1 21 TYR HB2 1 22 PRO HD2 4.140 . 4.140 3.924 3.696 4.127 . 0 0 "[ . 1 . 2]" 1
202 1 21 TYR HB3 1 22 PRO HD2 4.140 . 4.140 2.476 2.314 2.740 . 0 0 "[ . 1 . 2]" 1
203 1 21 TYR QD 1 22 PRO HD2 3.930 . 3.930 3.472 2.934 3.929 . 0 0 "[ . 1 . 2]" 1
204 1 21 TYR QD 1 22 PRO HD3 5.090 . 5.090 3.965 3.580 4.325 . 0 0 "[ . 1 . 2]" 1
205 1 21 TYR QD 1 66 TYR HA 3.210 . 3.210 1.747 1.553 2.051 . 0 0 "[ . 1 . 2]" 1
206 1 21 TYR QD 1 66 TYR QD 2.710 . 2.710 2.708 2.336 2.909 0.199 13 0 "[ . 1 . 2]" 1
207 1 22 PRO HA 1 23 CYS H 3.010 . 3.010 2.307 2.159 2.490 . 0 0 "[ . 1 . 2]" 1
208 1 22 PRO HA 1 35 ILE HG13 4.860 . 4.860 3.944 3.569 4.279 . 0 0 "[ . 1 . 2]" 1
209 1 22 PRO HB2 1 23 CYS H 3.620 . 3.620 3.035 2.587 3.882 0.262 2 0 "[ . 1 . 2]" 1
210 1 22 PRO HB2 1 35 ILE H 4.800 . 4.800 4.701 4.373 4.840 0.040 2 0 "[ . 1 . 2]" 1
211 1 22 PRO HB3 1 23 CYS H 4.200 . 4.200 3.814 3.572 4.294 0.094 2 0 "[ . 1 . 2]" 1
212 1 22 PRO HB3 1 35 ILE H 4.410 . 4.410 2.990 2.666 3.217 . 0 0 "[ . 1 . 2]" 1
213 1 22 PRO HD2 1 35 ILE MD 4.320 . 4.320 3.492 3.352 3.674 . 0 0 "[ . 1 . 2]" 1
214 1 22 PRO HD2 1 35 ILE HG12 4.570 . 4.570 4.159 3.960 4.457 . 0 0 "[ . 1 . 2]" 1
215 1 22 PRO HD2 1 35 ILE HG13 4.580 . 4.580 4.039 3.734 4.355 . 0 0 "[ . 1 . 2]" 1
216 1 22 PRO HD3 1 35 ILE MD 3.530 . 3.530 2.206 1.996 2.524 . 0 0 "[ . 1 . 2]" 1
217 1 22 PRO HD3 1 35 ILE HG12 4.470 . 4.470 2.762 2.473 3.129 . 0 0 "[ . 1 . 2]" 1
218 1 22 PRO HD3 1 35 ILE HG13 4.190 . 4.190 2.330 2.052 2.692 . 0 0 "[ . 1 . 2]" 1
219 1 22 PRO QG 1 35 ILE MD 4.310 . 4.310 3.490 2.917 3.832 . 0 0 "[ . 1 . 2]" 1
220 1 23 CYS H 1 23 CYS QB 3.480 . 3.480 2.631 2.383 2.828 . 0 0 "[ . 1 . 2]" 1
221 1 23 CYS H 1 32 SER HA 5.500 . 5.500 4.604 4.272 5.144 . 0 0 "[ . 1 . 2]" 1
222 1 23 CYS H 1 33 PHE H 3.590 . 3.590 3.016 2.719 3.427 . 0 0 "[ . 1 . 2]" 1
223 1 23 CYS H 1 33 PHE HA 5.500 . 5.500 4.811 4.551 5.060 . 0 0 "[ . 1 . 2]" 1
224 1 23 CYS H 1 33 PHE QD 4.650 . 4.650 3.419 2.949 4.123 . 0 0 "[ . 1 . 2]" 1
225 1 23 CYS HA 1 24 GLU H 2.890 . 2.890 2.229 2.141 2.396 . 0 0 "[ . 1 . 2]" 1
226 1 23 CYS HA 1 66 TYR QE 3.760 . 3.760 3.143 2.407 3.762 0.002 12 0 "[ . 1 . 2]" 1
227 1 23 CYS QB 1 33 PHE H 3.690 . 3.690 3.280 2.594 3.652 . 0 0 "[ . 1 . 2]" 1
228 1 23 CYS QB 1 33 PHE QD 4.730 . 4.730 3.313 3.085 3.501 . 0 0 "[ . 1 . 2]" 1
229 1 23 CYS QB 1 33 PHE HZ 4.000 . 4.000 2.904 2.797 3.141 . 0 0 "[ . 1 . 2]" 1
230 1 23 CYS QB 1 66 TYR QD 3.880 . 3.880 1.879 1.594 3.027 . 0 0 "[ . 1 . 2]" 1
231 1 23 CYS QB 1 66 TYR QE 3.550 . 3.550 3.254 2.547 3.665 0.115 2 0 "[ . 1 . 2]" 1
232 1 24 GLU H 1 24 GLU HB2 3.860 . 3.860 2.850 2.424 3.918 0.058 8 0 "[ . 1 . 2]" 1
233 1 24 GLU H 1 24 GLU QB 3.230 . 3.230 2.616 2.288 3.164 . 0 0 "[ . 1 . 2]" 1
234 1 24 GLU H 1 24 GLU HB3 3.860 . 3.860 3.473 2.552 3.787 . 0 0 "[ . 1 . 2]" 1
235 1 24 GLU H 1 24 GLU QG 4.030 . 4.030 2.720 1.978 4.075 0.045 1 0 "[ . 1 . 2]" 1
236 1 24 GLU H 1 66 TYR QE 5.090 . 5.090 4.505 3.838 5.228 0.138 13 0 "[ . 1 . 2]" 1
237 1 24 GLU HA 1 24 GLU QG 3.910 . 3.910 2.767 2.402 3.575 . 0 0 "[ . 1 . 2]" 1
238 1 24 GLU HA 1 25 ALA H 2.840 . 2.840 2.261 2.131 2.534 . 0 0 "[ . 1 . 2]" 1
239 1 24 GLU HA 1 25 ALA MB 4.360 . 4.360 4.035 3.750 4.253 . 0 0 "[ . 1 . 2]" 1
240 1 24 GLU HA 1 32 SER QB 3.900 . 3.900 2.874 2.310 3.855 . 0 0 "[ . 1 . 2]" 1
241 1 24 GLU HA 1 33 PHE H 4.190 . 4.190 3.792 3.449 4.236 0.046 15 0 "[ . 1 . 2]" 1
242 1 24 GLU QB 1 25 ALA H 4.150 . 4.150 3.234 2.244 4.088 . 0 0 "[ . 1 . 2]" 1
243 1 24 GLU QG 1 25 ALA H 4.370 . 4.370 4.203 3.831 4.514 0.144 4 0 "[ . 1 . 2]" 1
244 1 25 ALA H 1 25 ALA MB 3.020 . 3.020 2.310 2.202 2.652 . 0 0 "[ . 1 . 2]" 1
245 1 25 ALA H 1 32 SER HA 3.850 . 3.850 3.090 2.414 3.875 0.025 18 0 "[ . 1 . 2]" 1
246 1 25 ALA H 1 32 SER HB2 4.590 . 4.590 3.397 2.461 4.275 . 0 0 "[ . 1 . 2]" 1
247 1 25 ALA H 1 32 SER QB 4.030 . 4.030 2.392 1.812 3.204 . 0 0 "[ . 1 . 2]" 1
248 1 25 ALA H 1 32 SER HB3 4.590 . 4.590 2.595 1.825 4.047 . 0 0 "[ . 1 . 2]" 1
249 1 25 ALA HA 1 26 GLU H 2.900 . 2.900 2.199 2.126 2.416 . 0 0 "[ . 1 . 2]" 1
250 1 25 ALA HA 1 26 GLU QG 5.130 . 5.130 3.867 3.532 5.109 . 0 0 "[ . 1 . 2]" 1
251 1 25 ALA HA 1 27 HIS H 4.280 . 4.280 3.662 3.284 4.096 . 0 0 "[ . 1 . 2]" 1
252 1 25 ALA HA 1 30 GLU HB2 5.500 . 5.500 3.126 1.828 4.710 . 0 0 "[ . 1 . 2]" 1
253 1 25 ALA HA 1 30 GLU HB3 4.720 . 4.720 3.378 2.304 4.561 . 0 0 "[ . 1 . 2]" 1
254 1 25 ALA MB 1 26 GLU H 3.730 . 3.730 3.214 2.353 3.546 . 0 0 "[ . 1 . 2]" 1
255 1 25 ALA MB 1 27 HIS H 3.620 . 3.620 3.207 2.688 3.752 0.132 18 0 "[ . 1 . 2]" 1
256 1 25 ALA MB 1 30 GLU H 4.100 . 4.100 3.732 3.270 4.228 0.128 19 0 "[ . 1 . 2]" 1
257 1 25 ALA MB 1 30 GLU HB2 3.320 . 3.320 2.192 1.794 2.630 . 0 0 "[ . 1 . 2]" 1
258 1 25 ALA MB 1 30 GLU HB3 3.570 . 3.570 2.861 2.102 3.636 0.066 3 0 "[ . 1 . 2]" 1
259 1 25 ALA MB 1 30 GLU QG 4.100 . 4.100 3.900 3.542 4.310 0.210 3 0 "[ . 1 . 2]" 1
260 1 25 ALA MB 1 31 LEU H 4.590 . 4.590 3.841 3.207 4.565 . 0 0 "[ . 1 . 2]" 1
261 1 25 ALA MB 1 32 SER H 4.470 . 4.470 3.169 2.551 4.067 . 0 0 "[ . 1 . 2]" 1
262 1 26 GLU H 1 26 GLU QB 3.270 . 3.270 2.700 2.463 3.176 . 0 0 "[ . 1 . 2]" 1
263 1 26 GLU H 1 26 GLU HG2 4.150 . 4.150 2.436 1.905 3.654 . 0 0 "[ . 1 . 2]" 1
264 1 26 GLU H 1 26 GLU HG3 4.150 . 4.150 3.017 2.219 3.907 . 0 0 "[ . 1 . 2]" 1
265 1 26 GLU H 1 27 HIS H 3.100 . 3.100 2.355 1.724 2.767 . 0 0 "[ . 1 . 2]" 1
266 1 26 GLU H 1 30 GLU HB2 4.500 . 4.500 3.644 2.498 4.632 0.132 19 0 "[ . 1 . 2]" 1
267 1 26 GLU HA 1 26 GLU HG2 4.200 . 4.200 3.548 2.509 3.870 . 0 0 "[ . 1 . 2]" 1
268 1 26 GLU HA 1 26 GLU QG 3.620 . 3.620 3.210 2.426 3.547 . 0 0 "[ . 1 . 2]" 1
269 1 26 GLU HA 1 26 GLU HG3 4.200 . 4.200 3.707 3.159 4.292 0.092 9 0 "[ . 1 . 2]" 1
270 1 26 GLU QB 1 27 HIS H 3.840 . 3.840 3.503 2.596 3.915 0.075 19 0 "[ . 1 . 2]" 1
271 1 26 GLU QG 1 27 HIS H 4.180 . 4.180 2.915 2.225 4.220 0.040 4 0 "[ . 1 . 2]" 1
272 1 27 HIS H 1 27 HIS HB2 4.100 . 4.100 2.841 2.411 3.495 . 0 0 "[ . 1 . 2]" 1
273 1 27 HIS H 1 27 HIS QB 3.480 . 3.480 2.591 2.366 3.079 . 0 0 "[ . 1 . 2]" 1
274 1 27 HIS H 1 27 HIS HB3 4.100 . 4.100 3.353 2.466 3.875 . 0 0 "[ . 1 . 2]" 1
275 1 27 HIS H 1 30 GLU HB2 4.560 . 4.560 3.111 2.844 3.229 . 0 0 "[ . 1 . 2]" 1
276 1 27 HIS H 1 30 GLU HB3 4.410 . 4.410 4.531 4.421 4.711 0.301 10 0 "[ . 1 . 2]" 1
277 1 27 HIS H 1 30 GLU QG 5.500 . 5.500 3.694 3.086 4.675 . 0 0 "[ . 1 . 2]" 1
278 1 27 HIS QB 1 29 SER H 4.890 . 4.890 3.183 2.448 4.710 . 0 0 "[ . 1 . 2]" 1
279 1 28 SER HA 1 30 GLU H 4.650 . 4.650 4.192 3.630 4.660 0.010 13 0 "[ . 1 . 2]" 1
280 1 29 SER H 1 30 GLU H 4.220 . 4.220 2.611 1.993 2.762 . 0 0 "[ . 1 . 2]" 1
281 1 29 SER QB 1 30 GLU H 4.380 . 4.380 2.991 2.329 3.762 . 0 0 "[ . 1 . 2]" 1
282 1 29 SER HB2 1 61 LEU MD1 4.420 . 4.420 2.991 2.056 4.359 . 0 0 "[ . 1 . 2]" 1
283 1 29 SER HB3 1 61 LEU MD1 4.420 . 4.420 3.303 2.157 4.559 0.139 10 0 "[ . 1 . 2]" 1
284 1 30 GLU H 1 30 GLU HB2 3.330 . 3.330 2.458 2.346 2.625 . 0 0 "[ . 1 . 2]" 1
285 1 30 GLU H 1 30 GLU HB3 3.800 . 3.800 3.596 3.551 3.631 . 0 0 "[ . 1 . 2]" 1
286 1 30 GLU H 1 30 GLU QG 3.520 . 3.520 2.578 2.066 3.461 . 0 0 "[ . 1 . 2]" 1
287 1 30 GLU HA 1 31 LEU H 3.070 . 3.070 2.325 2.189 2.559 . 0 0 "[ . 1 . 2]" 1
288 1 30 GLU HA 1 50 TRP HZ3 4.900 . 4.900 3.968 3.300 4.753 . 0 0 "[ . 1 . 2]" 1
289 1 30 GLU HA 1 61 LEU H 3.260 . 3.260 2.648 1.823 3.282 0.022 12 0 "[ . 1 . 2]" 1
290 1 30 GLU HA 1 61 LEU HB3 4.410 . 4.410 3.519 3.147 3.712 . 0 0 "[ . 1 . 2]" 1
291 1 30 GLU HB2 1 31 LEU H 4.590 . 4.590 3.870 3.358 4.462 . 0 0 "[ . 1 . 2]" 1
292 1 30 GLU HB3 1 31 LEU H 4.090 . 4.090 2.813 2.237 3.705 . 0 0 "[ . 1 . 2]" 1
293 1 30 GLU QG 1 31 LEU H 4.390 . 4.390 4.020 3.578 4.403 0.013 1 0 "[ . 1 . 2]" 1
294 1 30 GLU QG 1 50 TRP HH2 4.230 . 4.230 3.302 2.323 4.334 0.104 8 0 "[ . 1 . 2]" 1
295 1 30 GLU QG 1 50 TRP HZ3 4.380 . 4.380 2.884 2.063 3.714 . 0 0 "[ . 1 . 2]" 1
296 1 30 GLU QG 1 61 LEU H 5.240 . 5.240 4.418 3.749 4.950 . 0 0 "[ . 1 . 2]" 1
297 1 30 GLU QG 1 61 LEU HB2 4.370 . 4.370 2.587 1.952 3.234 . 0 0 "[ . 1 . 2]" 1
298 1 30 GLU QG 1 61 LEU HB3 4.490 . 4.490 3.284 2.499 3.961 . 0 0 "[ . 1 . 2]" 1
299 1 30 GLU QG 1 61 LEU MD1 3.850 . 3.850 2.924 2.198 3.696 . 0 0 "[ . 1 . 2]" 1
300 1 31 LEU H 1 31 LEU HB2 3.480 . 3.480 2.504 2.385 2.611 . 0 0 "[ . 1 . 2]" 1
301 1 31 LEU H 1 31 LEU HB3 3.970 . 3.970 3.691 3.633 3.768 . 0 0 "[ . 1 . 2]" 1
302 1 31 LEU H 1 31 LEU MD1 4.360 . 4.360 4.029 3.768 4.333 . 0 0 "[ . 1 . 2]" 1
303 1 31 LEU H 1 31 LEU MD2 4.180 . 4.180 3.697 3.298 4.032 . 0 0 "[ . 1 . 2]" 1
304 1 31 LEU H 1 31 LEU HG 3.420 . 3.420 2.928 2.456 3.303 . 0 0 "[ . 1 . 2]" 1
305 1 31 LEU H 1 60 GLY HA3 4.850 . 4.850 4.286 3.663 4.781 . 0 0 "[ . 1 . 2]" 1
306 1 31 LEU H 1 61 LEU H 4.050 . 4.050 3.748 3.139 4.110 0.060 2 0 "[ . 1 . 2]" 1
307 1 31 LEU H 1 61 LEU MD1 5.500 . 5.500 5.531 5.213 5.756 0.256 18 0 "[ . 1 . 2]" 1
308 1 31 LEU H 1 62 ILE HG12 5.500 . 5.500 4.330 3.900 4.807 . 0 0 "[ . 1 . 2]" 1
309 1 31 LEU HA 1 31 LEU MD2 3.040 . 3.040 1.994 1.917 2.115 . 0 0 "[ . 1 . 2]" 1
310 1 31 LEU HA 1 32 SER H 2.920 . 2.920 2.115 2.042 2.320 . 0 0 "[ . 1 . 2]" 1
311 1 31 LEU HB2 1 31 LEU MD1 3.480 . 3.480 2.403 2.365 2.469 . 0 0 "[ . 1 . 2]" 1
312 1 31 LEU HB2 1 32 SER H 4.260 . 4.260 4.136 3.622 4.350 0.090 15 0 "[ . 1 . 2]" 1
313 1 31 LEU HB2 1 33 PHE QD 4.790 . 4.790 2.905 2.460 3.191 . 0 0 "[ . 1 . 2]" 1
314 1 31 LEU HB2 1 62 ILE HG12 4.910 . 4.910 2.639 2.399 3.191 . 0 0 "[ . 1 . 2]" 1
315 1 31 LEU HB2 1 62 ILE MG 5.020 . 5.020 3.969 3.503 4.450 . 0 0 "[ . 1 . 2]" 1
316 1 31 LEU HB3 1 31 LEU MD1 3.420 . 3.420 2.420 2.360 2.492 . 0 0 "[ . 1 . 2]" 1
317 1 31 LEU HB3 1 31 LEU MD2 3.410 . 3.410 2.484 2.427 2.583 . 0 0 "[ . 1 . 2]" 1
318 1 31 LEU HB3 1 32 SER H 3.710 . 3.710 3.127 2.350 3.492 . 0 0 "[ . 1 . 2]" 1
319 1 31 LEU HB3 1 33 PHE QD 5.110 . 5.110 2.598 2.110 2.970 . 0 0 "[ . 1 . 2]" 1
320 1 31 LEU MD1 1 32 SER H 5.340 . 5.340 4.884 4.193 5.189 . 0 0 "[ . 1 . 2]" 1
321 1 31 LEU MD1 1 39 PHE QE 3.390 . 3.390 2.720 1.961 3.311 . 0 0 "[ . 1 . 2]" 1
322 1 31 LEU MD1 1 53 GLY H 4.500 . 4.500 3.229 2.905 3.518 . 0 0 "[ . 1 . 2]" 1
323 1 31 LEU MD1 1 55 LEU H 4.480 . 4.480 3.138 2.685 3.437 . 0 0 "[ . 1 . 2]" 1
324 1 31 LEU MD1 1 58 LYS QG 4.730 . 4.730 3.960 3.624 4.823 0.093 5 0 "[ . 1 . 2]" 1
325 1 31 LEU MD1 1 59 ARG H 5.050 . 5.050 4.744 4.447 5.124 0.074 16 0 "[ . 1 . 2]" 1
326 1 31 LEU MD1 1 59 ARG HA 4.190 . 4.190 2.794 2.448 3.279 . 0 0 "[ . 1 . 2]" 1
327 1 31 LEU MD1 1 60 GLY H 3.500 . 3.500 2.365 2.207 2.630 . 0 0 "[ . 1 . 2]" 1
328 1 31 LEU MD1 1 62 ILE H 4.910 . 4.910 4.723 4.239 4.976 0.066 11 0 "[ . 1 . 2]" 1
329 1 31 LEU MD1 1 62 ILE MD 3.730 . 3.730 2.264 1.985 2.722 . 0 0 "[ . 1 . 2]" 1
330 1 31 LEU MD1 1 62 ILE HG12 3.940 . 3.940 2.121 1.642 2.447 . 0 0 "[ . 1 . 2]" 1
331 1 31 LEU MD1 1 62 ILE MG 4.150 . 4.150 3.892 3.343 4.204 0.054 19 0 "[ . 1 . 2]" 1
332 1 31 LEU MD2 1 32 SER H 3.780 . 3.780 3.385 3.124 3.639 . 0 0 "[ . 1 . 2]" 1
333 1 31 LEU MD2 1 55 LEU H 4.440 . 4.440 3.920 3.153 4.482 0.042 9 0 "[ . 1 . 2]" 1
334 1 31 LEU MD2 1 58 LYS HB2 4.490 . 4.490 4.236 3.770 4.538 0.048 13 0 "[ . 1 . 2]" 1
335 1 31 LEU MD2 1 58 LYS HB3 3.570 . 3.570 3.035 2.448 3.518 . 0 0 "[ . 1 . 2]" 1
336 1 31 LEU MD2 1 58 LYS QD 4.320 . 4.320 2.642 2.047 3.748 . 0 0 "[ . 1 . 2]" 1
337 1 31 LEU MD2 1 58 LYS QE 4.060 . 4.060 2.392 1.911 3.662 . 0 0 "[ . 1 . 2]" 1
338 1 31 LEU MD2 1 58 LYS QG 3.230 . 3.230 2.304 2.011 2.921 . 0 0 "[ . 1 . 2]" 1
339 1 31 LEU MD2 1 59 ARG H 4.500 . 4.500 4.170 3.950 4.462 . 0 0 "[ . 1 . 2]" 1
340 1 31 LEU MD2 1 59 ARG HA 4.480 . 4.480 3.612 3.226 4.053 . 0 0 "[ . 1 . 2]" 1
341 1 31 LEU MD2 1 60 GLY H 3.910 . 3.910 3.397 2.794 3.736 . 0 0 "[ . 1 . 2]" 1
342 1 31 LEU MD2 1 60 GLY HA2 4.310 . 4.310 4.121 3.608 4.355 0.045 15 0 "[ . 1 . 2]" 1
343 1 31 LEU MD2 1 60 GLY HA3 3.790 . 3.790 2.791 2.286 3.035 . 0 0 "[ . 1 . 2]" 1
344 1 31 LEU MD2 1 61 LEU H 4.760 . 4.760 4.439 3.899 4.863 0.103 4 0 "[ . 1 . 2]" 1
345 1 31 LEU HG 1 32 SER H 4.780 . 4.780 4.985 4.761 5.100 0.320 17 0 "[ . 1 . 2]" 1
346 1 31 LEU HG 1 60 GLY HA2 4.350 . 4.350 3.987 3.659 4.415 0.065 5 0 "[ . 1 . 2]" 1
347 1 31 LEU HG 1 60 GLY HA3 4.030 . 4.030 2.434 1.988 2.942 . 0 0 "[ . 1 . 2]" 1
348 1 32 SER H 1 32 SER HB2 4.070 . 4.070 3.343 2.481 3.787 . 0 0 "[ . 1 . 2]" 1
349 1 32 SER H 1 32 SER QB 3.310 . 3.310 2.716 2.332 3.064 . 0 0 "[ . 1 . 2]" 1
350 1 32 SER H 1 32 SER HB3 4.070 . 4.070 3.058 2.508 3.789 . 0 0 "[ . 1 . 2]" 1
351 1 32 SER HA 1 33 PHE H 2.990 . 2.990 2.270 2.219 2.335 . 0 0 "[ . 1 . 2]" 1
352 1 32 SER QB 1 33 PHE H 3.580 . 3.580 3.092 2.829 3.638 0.058 5 0 "[ . 1 . 2]" 1
353 1 33 PHE H 1 33 PHE QD 4.550 . 4.550 3.553 3.373 3.686 . 0 0 "[ . 1 . 2]" 1
354 1 33 PHE HA 1 34 GLU H 3.030 . 3.030 2.435 2.280 2.597 . 0 0 "[ . 1 . 2]" 1
355 1 33 PHE HA 1 37 ALA MB 4.820 . 4.820 3.701 3.523 3.923 . 0 0 "[ . 1 . 2]" 1
356 1 33 PHE HB2 1 34 GLU H 3.340 . 3.340 2.211 1.975 2.636 . 0 0 "[ . 1 . 2]" 1
357 1 33 PHE HB2 1 37 ALA MB 3.330 . 3.330 2.182 2.017 2.365 . 0 0 "[ . 1 . 2]" 1
358 1 33 PHE HB2 1 39 PHE HZ 4.810 . 4.810 2.965 2.410 3.538 . 0 0 "[ . 1 . 2]" 1
359 1 33 PHE HB2 1 55 LEU MD2 3.920 . 3.920 3.030 2.628 3.224 . 0 0 "[ . 1 . 2]" 1
360 1 33 PHE HB3 1 34 GLU H 3.910 . 3.910 3.538 3.433 3.779 . 0 0 "[ . 1 . 2]" 1
361 1 33 PHE HB3 1 37 ALA MB 3.830 . 3.830 3.126 2.960 3.422 . 0 0 "[ . 1 . 2]" 1
362 1 33 PHE HB3 1 39 PHE HZ 4.560 . 4.560 3.058 2.585 3.840 . 0 0 "[ . 1 . 2]" 1
363 1 33 PHE HB3 1 55 LEU MD2 3.730 . 3.730 2.032 1.812 2.373 . 0 0 "[ . 1 . 2]" 1
364 1 33 PHE QD 1 37 ALA MB 4.620 . 4.620 3.220 2.949 3.562 . 0 0 "[ . 1 . 2]" 1
365 1 33 PHE HZ 1 62 ILE MG 3.680 . 3.680 2.530 1.785 3.131 . 0 0 "[ . 1 . 2]" 1
366 1 33 PHE HZ 1 63 PRO HD2 4.620 . 4.620 2.059 1.688 2.500 . 0 0 "[ . 1 . 2]" 1
367 1 33 PHE HZ 1 63 PRO QD 3.870 . 3.870 2.046 1.682 2.479 . 0 0 "[ . 1 . 2]" 1
368 1 33 PHE HZ 1 63 PRO HD3 4.620 . 4.620 3.643 3.273 4.106 . 0 0 "[ . 1 . 2]" 1
369 1 33 PHE HZ 1 63 PRO QG 4.950 . 4.950 3.253 1.905 4.296 . 0 0 "[ . 1 . 2]" 1
370 1 33 PHE HZ 1 66 TYR HB2 3.930 . 3.930 2.606 2.192 3.216 . 0 0 "[ . 1 . 2]" 1
371 1 33 PHE HZ 1 66 TYR QB 3.170 . 3.170 2.481 2.163 2.980 . 0 0 "[ . 1 . 2]" 1
372 1 33 PHE HZ 1 66 TYR HB3 3.930 . 3.930 3.185 2.577 3.539 . 0 0 "[ . 1 . 2]" 1
373 1 34 GLU H 1 34 GLU QB 3.450 . 3.450 2.784 2.441 3.120 . 0 0 "[ . 1 . 2]" 1
374 1 34 GLU H 1 34 GLU HG2 4.380 . 4.380 3.416 2.045 4.389 0.009 20 0 "[ . 1 . 2]" 1
375 1 34 GLU H 1 34 GLU HG3 4.380 . 4.380 3.320 2.734 4.220 . 0 0 "[ . 1 . 2]" 1
376 1 34 GLU H 1 37 ALA MB 3.650 . 3.650 2.529 2.208 2.850 . 0 0 "[ . 1 . 2]" 1
377 1 34 GLU H 1 55 LEU MD2 4.540 . 4.540 4.215 3.456 4.506 . 0 0 "[ . 1 . 2]" 1
378 1 34 GLU HA 1 35 ILE H 3.130 . 3.130 2.500 2.424 2.607 . 0 0 "[ . 1 . 2]" 1
379 1 34 GLU HA 1 35 ILE HG13 5.500 . 5.500 3.855 3.717 3.979 . 0 0 "[ . 1 . 2]" 1
380 1 34 GLU QB 1 35 ILE H 3.070 . 3.070 2.292 2.188 2.494 . 0 0 "[ . 1 . 2]" 1
381 1 34 GLU QB 1 35 ILE HB 4.380 . 4.380 4.160 3.985 4.332 . 0 0 "[ . 1 . 2]" 1
382 1 34 GLU HB2 1 35 ILE H 3.650 . 3.650 3.029 2.205 3.676 0.026 9 0 "[ . 1 . 2]" 1
383 1 34 GLU HB3 1 35 ILE H 3.650 . 3.650 2.886 2.217 3.735 0.085 3 0 "[ . 1 . 2]" 1
384 1 34 GLU QG 1 35 ILE H 4.850 . 4.850 3.694 2.901 4.292 . 0 0 "[ . 1 . 2]" 1
385 1 35 ILE H 1 35 ILE HB 3.160 . 3.160 2.607 2.493 2.683 . 0 0 "[ . 1 . 2]" 1
386 1 35 ILE H 1 35 ILE MD 4.190 . 4.190 3.595 3.497 3.711 . 0 0 "[ . 1 . 2]" 1
387 1 35 ILE H 1 35 ILE HG12 3.990 . 3.990 3.342 3.258 3.474 . 0 0 "[ . 1 . 2]" 1
388 1 35 ILE H 1 35 ILE HG13 3.270 . 3.270 2.089 1.996 2.206 . 0 0 "[ . 1 . 2]" 1
389 1 35 ILE H 1 35 ILE MG 4.050 . 4.050 3.830 3.793 3.859 . 0 0 "[ . 1 . 2]" 1
390 1 35 ILE HA 1 35 ILE MD 4.410 . 4.410 3.906 3.872 3.952 . 0 0 "[ . 1 . 2]" 1
391 1 35 ILE HA 1 35 ILE HG12 3.910 . 3.910 2.614 2.539 2.697 . 0 0 "[ . 1 . 2]" 1
392 1 35 ILE HA 1 35 ILE MG 3.370 . 3.370 2.462 2.414 2.518 . 0 0 "[ . 1 . 2]" 1
393 1 35 ILE HA 1 36 GLY H 2.860 . 2.860 2.148 2.131 2.175 . 0 0 "[ . 1 . 2]" 1
394 1 35 ILE HA 1 36 GLY HA2 4.380 . 4.380 4.402 4.330 4.443 0.063 17 0 "[ . 1 . 2]" 1
395 1 35 ILE HA 1 36 GLY HA3 4.460 . 4.460 4.480 4.468 4.492 0.032 13 0 "[ . 1 . 2]" 1
396 1 35 ILE HA 1 37 ALA H 4.020 . 4.020 3.521 3.311 3.696 . 0 0 "[ . 1 . 2]" 1
397 1 35 ILE HB 1 35 ILE MD 3.350 . 3.350 2.469 2.428 2.518 . 0 0 "[ . 1 . 2]" 1
398 1 35 ILE HB 1 36 GLY H 4.600 . 4.600 4.282 4.110 4.414 . 0 0 "[ . 1 . 2]" 1
399 1 35 ILE HG12 1 36 GLY H 4.490 . 4.490 4.559 4.488 4.642 0.152 14 0 "[ . 1 . 2]" 1
400 1 35 ILE MG 1 36 GLY H 3.470 . 3.470 2.902 2.594 3.162 . 0 0 "[ . 1 . 2]" 1
401 1 35 ILE MG 1 36 GLY HA2 4.090 . 4.090 3.586 3.431 3.721 . 0 0 "[ . 1 . 2]" 1
402 1 35 ILE MG 1 36 GLY HA3 4.380 . 4.380 3.753 3.592 3.969 . 0 0 "[ . 1 . 2]" 1
403 1 35 ILE MG 1 37 ALA H 5.160 . 5.160 4.663 4.457 4.853 . 0 0 "[ . 1 . 2]" 1
404 1 36 GLY H 1 37 ALA H 3.360 . 3.360 2.327 2.100 2.584 . 0 0 "[ . 1 . 2]" 1
405 1 36 GLY H 1 37 ALA MB 4.330 . 4.330 3.947 3.763 4.175 . 0 0 "[ . 1 . 2]" 1
406 1 36 GLY HA2 1 38 ILE MD 5.500 . 5.500 3.890 3.648 4.237 . 0 0 "[ . 1 . 2]" 1
407 1 37 ALA H 1 37 ALA MB 2.900 . 2.900 2.242 2.214 2.282 . 0 0 "[ . 1 . 2]" 1
408 1 37 ALA H 1 38 ILE H 4.170 . 4.170 4.344 4.256 4.409 0.239 20 0 "[ . 1 . 2]" 1
409 1 37 ALA H 1 38 ILE MD 5.390 . 5.390 4.929 4.752 5.139 . 0 0 "[ . 1 . 2]" 1
410 1 37 ALA H 1 55 LEU MD1 4.920 . 4.920 4.948 4.832 5.066 0.146 1 0 "[ . 1 . 2]" 1
411 1 37 ALA HA 1 38 ILE H 2.790 . 2.790 2.151 2.127 2.201 . 0 0 "[ . 1 . 2]" 1
412 1 37 ALA HA 1 38 ILE HB 4.890 . 4.890 4.736 4.600 4.826 . 0 0 "[ . 1 . 2]" 1
413 1 37 ALA HA 1 55 LEU MD1 4.450 . 4.450 3.257 2.813 3.619 . 0 0 "[ . 1 . 2]" 1
414 1 37 ALA MB 1 38 ILE H 3.560 . 3.560 3.400 3.327 3.507 . 0 0 "[ . 1 . 2]" 1
415 1 37 ALA MB 1 38 ILE HA 5.210 . 5.210 4.425 4.373 4.484 . 0 0 "[ . 1 . 2]" 1
416 1 37 ALA MB 1 39 PHE QE 3.920 . 3.920 2.969 2.407 3.381 . 0 0 "[ . 1 . 2]" 1
417 1 37 ALA MB 1 39 PHE HZ 4.170 . 4.170 2.796 2.562 3.404 . 0 0 "[ . 1 . 2]" 1
418 1 37 ALA MB 1 55 LEU MD1 3.140 . 3.140 2.026 1.879 2.297 . 0 0 "[ . 1 . 2]" 1
419 1 38 ILE H 1 38 ILE HB 3.160 . 3.160 2.614 2.501 2.689 . 0 0 "[ . 1 . 2]" 1
420 1 38 ILE H 1 38 ILE MD 4.580 . 4.580 3.314 3.166 3.457 . 0 0 "[ . 1 . 2]" 1
421 1 38 ILE H 1 38 ILE HG12 4.080 . 4.080 2.296 2.212 2.422 . 0 0 "[ . 1 . 2]" 1
422 1 38 ILE H 1 38 ILE QG 3.550 . 3.550 2.277 2.195 2.398 . 0 0 "[ . 1 . 2]" 1
423 1 38 ILE H 1 38 ILE HG13 4.080 . 4.080 3.754 3.698 3.867 . 0 0 "[ . 1 . 2]" 1
424 1 38 ILE H 1 38 ILE MG 4.510 . 4.510 3.857 3.818 3.882 . 0 0 "[ . 1 . 2]" 1
425 1 38 ILE H 1 39 PHE H 4.800 . 4.800 4.519 4.363 4.596 . 0 0 "[ . 1 . 2]" 1
426 1 38 ILE H 1 55 LEU MD1 3.930 . 3.930 3.583 3.087 3.939 0.009 16 0 "[ . 1 . 2]" 1
427 1 38 ILE HA 1 38 ILE MD 3.420 . 3.420 2.185 2.116 2.251 . 0 0 "[ . 1 . 2]" 1
428 1 38 ILE HA 1 38 ILE MG 3.380 . 3.380 2.427 2.377 2.486 . 0 0 "[ . 1 . 2]" 1
429 1 38 ILE HA 1 39 PHE H 2.960 . 2.960 2.174 2.110 2.254 . 0 0 "[ . 1 . 2]" 1
430 1 38 ILE HA 1 39 PHE QD 4.210 . 4.210 3.659 3.275 3.992 . 0 0 "[ . 1 . 2]" 1
431 1 38 ILE HB 1 38 ILE MD 3.700 . 3.700 3.276 3.267 3.288 . 0 0 "[ . 1 . 2]" 1
432 1 38 ILE MD 1 39 PHE H 4.310 . 4.310 3.843 3.733 3.956 . 0 0 "[ . 1 . 2]" 1
433 1 38 ILE MG 1 39 PHE H 3.560 . 3.560 2.617 2.343 3.076 . 0 0 "[ . 1 . 2]" 1
434 1 38 ILE MG 1 40 GLU QG 4.690 . 4.690 3.214 2.484 3.938 . 0 0 "[ . 1 . 2]" 1
435 1 39 PHE H 1 39 PHE HB2 3.730 . 3.730 2.660 2.549 2.786 . 0 0 "[ . 1 . 2]" 1
436 1 39 PHE H 1 39 PHE QD 3.430 . 3.430 2.679 2.251 2.988 . 0 0 "[ . 1 . 2]" 1
437 1 39 PHE H 1 40 GLU H 5.040 . 5.040 4.447 4.370 4.518 . 0 0 "[ . 1 . 2]" 1
438 1 39 PHE HA 1 40 GLU H 3.000 . 3.000 2.240 2.151 2.343 . 0 0 "[ . 1 . 2]" 1
439 1 39 PHE HB2 1 40 GLU H 4.520 . 4.520 3.910 3.597 4.179 . 0 0 "[ . 1 . 2]" 1
440 1 39 PHE HB2 1 42 VAL MG2 3.480 . 3.480 2.219 1.987 2.705 . 0 0 "[ . 1 . 2]" 1
441 1 39 PHE HB2 1 62 ILE MD 4.660 . 4.660 3.466 3.225 3.762 . 0 0 "[ . 1 . 2]" 1
442 1 39 PHE HB3 1 40 GLU H 3.970 . 3.970 2.991 2.649 3.292 . 0 0 "[ . 1 . 2]" 1
443 1 39 PHE HB3 1 42 VAL MG2 3.620 . 3.620 2.522 2.308 2.927 . 0 0 "[ . 1 . 2]" 1
444 1 39 PHE HB3 1 54 THR H 4.450 . 4.450 3.218 2.713 3.671 . 0 0 "[ . 1 . 2]" 1
445 1 39 PHE HB3 1 62 ILE MD 4.380 . 4.380 2.911 2.612 3.323 . 0 0 "[ . 1 . 2]" 1
446 1 39 PHE QD 1 40 GLU H 4.890 . 4.890 4.212 3.874 4.409 . 0 0 "[ . 1 . 2]" 1
447 1 39 PHE QD 1 54 THR H 5.120 . 5.120 4.258 3.939 4.617 . 0 0 "[ . 1 . 2]" 1
448 1 39 PHE QD 1 55 LEU HB2 3.800 . 3.800 2.156 1.907 2.399 . 0 0 "[ . 1 . 2]" 1
449 1 39 PHE QD 1 55 LEU HB3 4.140 . 4.140 3.764 3.489 4.038 . 0 0 "[ . 1 . 2]" 1
450 1 39 PHE QD 1 55 LEU MD1 4.420 . 4.420 3.139 2.868 3.467 . 0 0 "[ . 1 . 2]" 1
451 1 39 PHE QD 1 62 ILE MD 3.890 . 3.890 2.657 2.519 2.848 . 0 0 "[ . 1 . 2]" 1
452 1 39 PHE QE 1 55 LEU HB2 3.960 . 3.960 2.403 2.069 2.880 . 0 0 "[ . 1 . 2]" 1
453 1 39 PHE QE 1 55 LEU HB3 5.150 . 5.150 3.599 3.372 4.028 . 0 0 "[ . 1 . 2]" 1
454 1 39 PHE QE 1 55 LEU MD1 4.730 . 4.730 2.864 2.534 3.373 . 0 0 "[ . 1 . 2]" 1
455 1 39 PHE QE 1 55 LEU MD2 3.490 . 3.490 2.043 1.659 2.350 . 0 0 "[ . 1 . 2]" 1
456 1 39 PHE QE 1 62 ILE MD 4.320 . 4.320 3.277 2.959 3.529 . 0 0 "[ . 1 . 2]" 1
457 1 39 PHE QE 1 62 ILE MG 4.300 . 4.300 3.458 2.957 3.742 . 0 0 "[ . 1 . 2]" 1
458 1 39 PHE QE 1 67 VAL MG1 3.470 . 3.470 2.094 1.952 2.275 . 0 0 "[ . 1 . 2]" 1
459 1 39 PHE HZ 1 62 ILE MD 4.950 . 4.950 4.129 3.450 4.687 . 0 0 "[ . 1 . 2]" 1
460 1 39 PHE HZ 1 62 ILE MG 4.460 . 4.460 3.641 3.216 4.068 . 0 0 "[ . 1 . 2]" 1
461 1 39 PHE HZ 1 67 VAL MG1 4.470 . 4.470 3.289 2.900 3.713 . 0 0 "[ . 1 . 2]" 1
462 1 40 GLU H 1 40 GLU HB2 3.520 . 3.520 2.639 2.480 2.816 . 0 0 "[ . 1 . 2]" 1
463 1 40 GLU H 1 40 GLU HB3 4.010 . 4.010 3.760 3.659 3.878 . 0 0 "[ . 1 . 2]" 1
464 1 40 GLU H 1 40 GLU HG2 4.340 . 4.340 3.421 2.453 4.175 . 0 0 "[ . 1 . 2]" 1
465 1 40 GLU H 1 40 GLU QG 3.810 . 3.810 2.803 2.428 3.126 . 0 0 "[ . 1 . 2]" 1
466 1 40 GLU H 1 40 GLU HG3 4.340 . 4.340 3.471 2.684 4.148 . 0 0 "[ . 1 . 2]" 1
467 1 40 GLU H 1 41 ASP H 5.390 . 5.390 4.471 4.392 4.556 . 0 0 "[ . 1 . 2]" 1
468 1 40 GLU H 1 42 VAL MG2 4.000 . 4.000 3.725 3.381 4.036 0.036 10 0 "[ . 1 . 2]" 1
469 1 40 GLU H 1 54 THR HA 5.500 . 5.500 4.595 4.328 4.924 . 0 0 "[ . 1 . 2]" 1
470 1 40 GLU H 1 54 THR HB 4.210 . 4.210 2.907 2.567 3.396 . 0 0 "[ . 1 . 2]" 1
471 1 40 GLU HB2 1 41 ASP H 4.810 . 4.810 3.864 3.700 4.008 . 0 0 "[ . 1 . 2]" 1
472 1 40 GLU HB2 1 54 THR HB 3.670 . 3.670 2.536 1.973 3.221 . 0 0 "[ . 1 . 2]" 1
473 1 40 GLU HB3 1 41 ASP H 3.530 . 3.530 2.805 2.584 3.061 . 0 0 "[ . 1 . 2]" 1
474 1 40 GLU HB3 1 54 THR HB 4.490 . 4.490 4.087 3.585 4.620 0.130 12 0 "[ . 1 . 2]" 1
475 1 40 GLU QG 1 41 ASP H 4.400 . 4.400 4.259 3.862 4.634 0.234 1 0 "[ . 1 . 2]" 1
476 1 41 ASP HA 1 42 VAL H 3.300 . 3.300 2.654 2.349 2.931 . 0 0 "[ . 1 . 2]" 1
477 1 42 VAL H 1 42 VAL HB 3.170 . 3.170 2.644 2.564 2.774 . 0 0 "[ . 1 . 2]" 1
478 1 42 VAL H 1 42 VAL MG1 4.390 . 4.390 3.836 3.818 3.857 . 0 0 "[ . 1 . 2]" 1
479 1 42 VAL H 1 42 VAL MG2 3.250 . 3.250 2.064 1.977 2.244 . 0 0 "[ . 1 . 2]" 1
480 1 42 VAL HA 1 42 VAL MG1 3.550 . 3.550 2.394 2.307 2.451 . 0 0 "[ . 1 . 2]" 1
481 1 42 VAL HB 1 43 GLN H 4.660 . 4.660 4.156 4.006 4.259 . 0 0 "[ . 1 . 2]" 1
482 1 42 VAL MG1 1 43 GLN H 3.610 . 3.610 2.783 2.631 2.972 . 0 0 "[ . 1 . 2]" 1
483 1 42 VAL MG1 1 52 GLU H 4.330 . 4.330 3.742 3.331 4.094 . 0 0 "[ . 1 . 2]" 1
484 1 42 VAL MG1 1 62 ILE MD 3.940 . 3.940 2.902 1.841 3.430 . 0 0 "[ . 1 . 2]" 1
485 1 42 VAL MG2 1 53 GLY H 5.500 . 5.500 4.904 4.517 5.430 . 0 0 "[ . 1 . 2]" 1
486 1 42 VAL MG2 1 53 GLY HA2 4.200 . 4.200 3.294 2.626 4.022 . 0 0 "[ . 1 . 2]" 1
487 1 42 VAL MG2 1 53 GLY HA3 3.860 . 3.860 2.627 2.243 3.202 . 0 0 "[ . 1 . 2]" 1
488 1 42 VAL MG2 1 54 THR H 4.490 . 4.490 3.649 3.282 4.048 . 0 0 "[ . 1 . 2]" 1
489 1 42 VAL MG2 1 62 ILE MD 3.920 . 3.920 3.197 2.439 3.635 . 0 0 "[ . 1 . 2]" 1
490 1 43 GLN H 1 43 GLN HB2 4.090 . 4.090 2.735 2.579 2.850 . 0 0 "[ . 1 . 2]" 1
491 1 43 GLN H 1 43 GLN HB3 4.090 . 4.090 3.821 3.744 3.897 . 0 0 "[ . 1 . 2]" 1
492 1 43 GLN H 1 43 GLN QG 4.320 . 4.320 2.971 2.652 3.390 . 0 0 "[ . 1 . 2]" 1
493 1 43 GLN H 1 53 GLY HA2 4.830 . 4.830 3.873 3.530 4.167 . 0 0 "[ . 1 . 2]" 1
494 1 43 GLN HA 1 43 GLN QG 3.930 . 3.930 2.721 2.444 3.129 . 0 0 "[ . 1 . 2]" 1
495 1 43 GLN HA 1 44 THR H 3.100 . 3.100 2.482 2.276 2.579 . 0 0 "[ . 1 . 2]" 1
496 1 43 GLN QB 1 44 THR H 3.340 . 3.340 2.430 2.226 2.849 . 0 0 "[ . 1 . 2]" 1
497 1 43 GLN HB2 1 44 THR H 3.830 . 3.830 3.535 3.322 3.877 0.047 16 0 "[ . 1 . 2]" 1
498 1 43 GLN HB3 1 44 THR H 3.830 . 3.830 2.477 2.258 2.932 . 0 0 "[ . 1 . 2]" 1
499 1 44 THR H 1 44 THR HB 3.640 . 3.640 2.637 2.535 2.789 . 0 0 "[ . 1 . 2]" 1
500 1 44 THR H 1 44 THR MG 3.780 . 3.780 3.830 3.791 3.878 0.098 14 0 "[ . 1 . 2]" 1
501 1 44 THR H 1 45 SER H 4.880 . 4.880 4.540 4.432 4.634 . 0 0 "[ . 1 . 2]" 1
502 1 44 THR H 1 51 LEU MD2 4.650 . 4.650 3.988 3.734 4.274 . 0 0 "[ . 1 . 2]" 1
503 1 44 THR HA 1 44 THR MG 3.270 . 3.270 2.374 2.333 2.420 . 0 0 "[ . 1 . 2]" 1
504 1 44 THR HA 1 45 SER H 2.850 . 2.850 2.215 2.147 2.325 . 0 0 "[ . 1 . 2]" 1
505 1 44 THR HA 1 51 LEU HA 3.640 . 3.640 2.561 2.186 2.861 . 0 0 "[ . 1 . 2]" 1
506 1 44 THR HA 1 51 LEU MD2 3.100 . 3.100 2.081 1.983 2.235 . 0 0 "[ . 1 . 2]" 1
507 1 44 THR HA 1 52 GLU H 4.480 . 4.480 3.697 3.256 4.089 . 0 0 "[ . 1 . 2]" 1
508 1 44 THR HB 1 45 SER H 3.820 . 3.820 3.985 3.838 4.104 0.284 18 0 "[ . 1 . 2]" 1
509 1 44 THR HB 1 51 LEU MD2 4.240 . 4.240 4.282 4.136 4.450 0.210 12 0 "[ . 1 . 2]" 1
510 1 44 THR MG 1 45 SER H 3.620 . 3.620 2.572 2.310 2.907 . 0 0 "[ . 1 . 2]" 1
511 1 44 THR MG 1 51 LEU MD2 2.990 . 2.990 2.593 2.084 2.846 . 0 0 "[ . 1 . 2]" 1
512 1 45 SER H 1 45 SER HB2 3.730 . 3.730 2.829 2.533 3.686 . 0 0 "[ . 1 . 2]" 1
513 1 45 SER H 1 45 SER QB 3.210 . 3.210 2.418 2.280 2.624 . 0 0 "[ . 1 . 2]" 1
514 1 45 SER H 1 45 SER HB3 3.730 . 3.730 2.839 2.427 3.684 . 0 0 "[ . 1 . 2]" 1
515 1 45 SER H 1 51 LEU HA 3.350 . 3.350 2.462 2.028 2.709 . 0 0 "[ . 1 . 2]" 1
516 1 45 SER H 1 51 LEU MD2 3.870 . 3.870 2.972 2.664 3.296 . 0 0 "[ . 1 . 2]" 1
517 1 45 SER H 1 52 GLU H 4.540 . 4.540 3.863 3.239 4.190 . 0 0 "[ . 1 . 2]" 1
518 1 45 SER HA 1 52 GLU QG 4.660 . 4.660 3.203 1.939 4.569 . 0 0 "[ . 1 . 2]" 1
519 1 45 SER QB 1 46 ARG H 3.460 . 3.460 2.890 2.004 3.413 . 0 0 "[ . 1 . 2]" 1
520 1 45 SER QB 1 47 GLU H 3.690 . 3.690 2.790 2.344 3.082 . 0 0 "[ . 1 . 2]" 1
521 1 45 SER QB 1 50 TRP QB 3.770 . 3.770 2.462 2.106 3.267 . 0 0 "[ . 1 . 2]" 1
522 1 45 SER QB 1 52 GLU QG 3.840 . 3.840 2.381 1.805 3.379 . 0 0 "[ . 1 . 2]" 1
523 1 45 SER QB 1 61 LEU MD2 3.420 . 3.420 2.552 2.255 2.859 . 0 0 "[ . 1 . 2]" 1
524 1 45 SER HB2 1 46 ARG H 4.280 . 4.280 3.507 2.015 3.936 . 0 0 "[ . 1 . 2]" 1
525 1 45 SER HB2 1 47 GLU H 4.250 . 4.250 3.690 2.823 4.356 0.106 5 0 "[ . 1 . 2]" 1
526 1 45 SER HB2 1 50 TRP QB 4.460 . 4.460 3.132 2.209 3.896 . 0 0 "[ . 1 . 2]" 1
527 1 45 SER HB2 1 52 GLU QG 4.480 . 4.480 2.680 1.811 4.135 . 0 0 "[ . 1 . 2]" 1
528 1 45 SER HB2 1 61 LEU MD2 4.070 . 4.070 2.872 2.332 3.328 . 0 0 "[ . 1 . 2]" 1
529 1 45 SER HB3 1 46 ARG H 4.280 . 4.280 3.298 2.409 3.750 . 0 0 "[ . 1 . 2]" 1
530 1 45 SER HB3 1 47 GLU H 4.250 . 4.250 3.034 2.498 4.262 0.012 4 0 "[ . 1 . 2]" 1
531 1 45 SER HB3 1 50 TRP QB 4.460 . 4.460 2.784 2.187 3.598 . 0 0 "[ . 1 . 2]" 1
532 1 45 SER HB3 1 52 GLU QG 4.480 . 4.480 3.401 1.939 4.625 0.145 5 0 "[ . 1 . 2]" 1
533 1 45 SER HB3 1 61 LEU MD2 4.070 . 4.070 2.977 2.372 3.644 . 0 0 "[ . 1 . 2]" 1
534 1 46 ARG H 1 46 ARG QB 3.630 . 3.630 2.570 2.445 2.693 . 0 0 "[ . 1 . 2]" 1
535 1 46 ARG H 1 46 ARG QD 5.140 . 5.140 3.698 1.615 4.032 . 0 0 "[ . 1 . 2]" 1
536 1 46 ARG H 1 46 ARG QG 3.520 . 3.520 2.135 1.787 3.151 . 0 0 "[ . 1 . 2]" 1
537 1 46 ARG H 1 50 TRP QB 5.500 . 5.500 5.127 4.390 5.357 . 0 0 "[ . 1 . 2]" 1
538 1 46 ARG HA 1 46 ARG QG 3.740 . 3.740 3.103 2.492 3.541 . 0 0 "[ . 1 . 2]" 1
539 1 46 ARG QG 1 47 GLU H 4.060 . 4.060 3.175 2.265 4.233 0.173 5 0 "[ . 1 . 2]" 1
540 1 47 GLU H 1 47 GLU HB2 3.160 . 3.160 2.378 2.221 2.584 . 0 0 "[ . 1 . 2]" 1
541 1 47 GLU H 1 47 GLU HB3 3.570 . 3.570 3.589 3.512 3.622 0.052 19 0 "[ . 1 . 2]" 1
542 1 47 GLU H 1 47 GLU QG 3.610 . 3.610 3.137 2.380 3.516 . 0 0 "[ . 1 . 2]" 1
543 1 47 GLU H 1 50 TRP QB 4.480 . 4.480 3.615 3.333 3.820 . 0 0 "[ . 1 . 2]" 1
544 1 47 GLU H 1 61 LEU MD2 4.140 . 4.140 3.880 3.403 4.239 0.099 14 0 "[ . 1 . 2]" 1
545 1 47 GLU HB2 1 50 TRP QB 4.240 . 4.240 2.031 1.764 2.365 . 0 0 "[ . 1 . 2]" 1
546 1 47 GLU HB2 1 50 TRP HD1 3.640 . 3.640 3.090 2.400 3.665 0.025 13 0 "[ . 1 . 2]" 1
547 1 47 GLU HB3 1 48 PRO QD 3.660 . 3.660 3.045 2.393 3.608 . 0 0 "[ . 1 . 2]" 1
548 1 47 GLU HB3 1 50 TRP QB 4.520 . 4.520 2.932 2.428 3.477 . 0 0 "[ . 1 . 2]" 1
549 1 47 GLU HB3 1 50 TRP HD1 3.460 . 3.460 2.233 1.874 2.553 . 0 0 "[ . 1 . 2]" 1
550 1 47 GLU HB3 1 50 TRP HE1 4.620 . 4.620 3.954 3.733 4.473 . 0 0 "[ . 1 . 2]" 1
551 1 47 GLU QG 1 48 PRO HD2 4.300 . 4.300 3.879 3.142 4.488 0.188 19 0 "[ . 1 . 2]" 1
552 1 47 GLU QG 1 48 PRO HD3 4.300 . 4.300 4.206 3.876 4.408 0.108 19 0 "[ . 1 . 2]" 1
553 1 47 GLU QG 1 50 TRP HD1 3.860 . 3.860 3.945 3.644 4.085 0.225 9 0 "[ . 1 . 2]" 1
554 1 47 GLU QG 1 50 TRP HE1 4.860 . 4.860 4.829 4.299 5.098 0.238 4 0 "[ . 1 . 2]" 1
555 1 48 PRO HA 1 49 GLY H 3.060 . 3.060 2.225 2.145 3.364 0.304 17 0 "[ . 1 . 2]" 1
556 1 48 PRO HA 1 50 TRP H 4.390 . 4.390 3.677 3.487 4.175 . 0 0 "[ . 1 . 2]" 1
557 1 48 PRO QB 1 49 GLY H 3.990 . 3.990 3.568 3.446 3.761 . 0 0 "[ . 1 . 2]" 1
558 1 48 PRO HB2 1 49 GLY H 4.630 . 4.630 4.012 3.706 4.271 . 0 0 "[ . 1 . 2]" 1
559 1 48 PRO HB3 1 49 GLY H 4.630 . 4.630 4.043 3.742 4.363 . 0 0 "[ . 1 . 2]" 1
560 1 49 GLY H 1 50 TRP H 3.600 . 3.600 2.430 1.986 2.571 . 0 0 "[ . 1 . 2]" 1
561 1 49 GLY QA 1 64 GLN QB 4.380 . 4.380 3.144 2.515 4.258 . 0 0 "[ . 1 . 2]" 1
562 1 50 TRP H 1 50 TRP QB 3.320 . 3.320 2.515 2.450 2.579 . 0 0 "[ . 1 . 2]" 1
563 1 50 TRP H 1 50 TRP HD1 3.760 . 3.760 3.007 2.580 3.379 . 0 0 "[ . 1 . 2]" 1
564 1 50 TRP H 1 51 LEU H 4.990 . 4.990 4.449 4.329 4.507 . 0 0 "[ . 1 . 2]" 1
565 1 50 TRP H 1 64 GLN QB 4.890 . 4.890 4.448 3.694 5.142 0.252 12 0 "[ . 1 . 2]" 1
566 1 50 TRP HA 1 51 LEU H 3.030 . 3.030 2.215 2.078 2.440 . 0 0 "[ . 1 . 2]" 1
567 1 50 TRP HA 1 63 PRO HA 3.720 . 3.720 3.184 2.760 3.686 . 0 0 "[ . 1 . 2]" 1
568 1 50 TRP HA 1 64 GLN H 3.500 . 3.500 2.950 2.512 3.542 0.042 12 0 "[ . 1 . 2]" 1
569 1 50 TRP QB 1 50 TRP HD1 3.500 . 3.500 2.688 2.610 2.813 . 0 0 "[ . 1 . 2]" 1
570 1 50 TRP QB 1 50 TRP HE3 3.610 . 3.610 2.495 2.397 2.582 . 0 0 "[ . 1 . 2]" 1
571 1 50 TRP QB 1 51 LEU H 3.750 . 3.750 2.850 2.333 3.234 . 0 0 "[ . 1 . 2]" 1
572 1 50 TRP QB 1 61 LEU HB3 4.540 . 4.540 3.114 2.596 3.426 . 0 0 "[ . 1 . 2]" 1
573 1 50 TRP QB 1 61 LEU MD1 4.700 . 4.700 3.558 3.107 4.012 . 0 0 "[ . 1 . 2]" 1
574 1 50 TRP QB 1 61 LEU MD2 3.590 . 3.590 2.192 1.844 3.010 . 0 0 "[ . 1 . 2]" 1
575 1 50 TRP QB 1 62 ILE H 4.880 . 4.880 3.497 3.067 4.109 . 0 0 "[ . 1 . 2]" 1
576 1 50 TRP HE3 1 51 LEU H 4.600 . 4.600 3.626 2.829 4.098 . 0 0 "[ . 1 . 2]" 1
577 1 50 TRP HE3 1 61 LEU HB2 4.740 . 4.740 3.545 3.092 3.779 . 0 0 "[ . 1 . 2]" 1
578 1 50 TRP HE3 1 61 LEU HB3 3.520 . 3.520 2.028 1.913 2.171 . 0 0 "[ . 1 . 2]" 1
579 1 50 TRP HE3 1 61 LEU HG 4.740 . 4.740 4.938 4.821 5.047 0.307 13 0 "[ . 1 . 2]" 1
580 1 50 TRP HE3 1 62 ILE H 4.050 . 4.050 2.876 2.707 3.220 . 0 0 "[ . 1 . 2]" 1
581 1 50 TRP HH2 1 63 PRO HB3 4.280 . 4.280 4.314 3.752 4.465 0.185 10 0 "[ . 1 . 2]" 1
582 1 50 TRP HH2 1 63 PRO QD 4.780 . 4.780 4.104 3.448 4.597 . 0 0 "[ . 1 . 2]" 1
583 1 50 TRP HZ3 1 61 LEU HB2 4.130 . 4.130 3.665 3.012 3.949 . 0 0 "[ . 1 . 2]" 1
584 1 50 TRP HZ3 1 61 LEU HB3 4.450 . 4.450 3.132 2.812 3.515 . 0 0 "[ . 1 . 2]" 1
585 1 50 TRP HZ3 1 63 PRO HB3 5.470 . 5.470 4.441 3.991 4.791 . 0 0 "[ . 1 . 2]" 1
586 1 50 TRP HZ3 1 63 PRO HD2 5.140 . 5.140 4.194 3.737 4.539 . 0 0 "[ . 1 . 2]" 1
587 1 50 TRP HZ3 1 63 PRO QD 4.480 . 4.480 2.536 2.127 2.887 . 0 0 "[ . 1 . 2]" 1
588 1 50 TRP HZ3 1 63 PRO HD3 5.140 . 5.140 2.558 2.139 2.920 . 0 0 "[ . 1 . 2]" 1
589 1 51 LEU H 1 51 LEU QB 3.570 . 3.570 2.596 2.410 2.685 . 0 0 "[ . 1 . 2]" 1
590 1 51 LEU H 1 51 LEU MD1 4.910 . 4.910 4.085 3.778 4.270 . 0 0 "[ . 1 . 2]" 1
591 1 51 LEU H 1 51 LEU MD2 4.600 . 4.600 3.652 3.385 3.895 . 0 0 "[ . 1 . 2]" 1
592 1 51 LEU H 1 51 LEU HG 3.740 . 3.740 2.919 2.619 3.241 . 0 0 "[ . 1 . 2]" 1
593 1 51 LEU H 1 61 LEU MD2 5.170 . 5.170 4.218 3.555 4.805 . 0 0 "[ . 1 . 2]" 1
594 1 51 LEU H 1 62 ILE H 3.710 . 3.710 2.837 2.362 3.386 . 0 0 "[ . 1 . 2]" 1
595 1 51 LEU H 1 62 ILE HB 4.990 . 4.990 3.171 2.949 3.799 . 0 0 "[ . 1 . 2]" 1
596 1 51 LEU H 1 63 PRO HA 4.280 . 4.280 4.223 3.992 4.374 0.094 18 0 "[ . 1 . 2]" 1
597 1 51 LEU H 1 64 GLN H 4.400 . 4.400 3.897 3.417 4.413 0.013 18 0 "[ . 1 . 2]" 1
598 1 51 LEU HA 1 51 LEU MD2 3.250 . 3.250 2.168 2.099 2.281 . 0 0 "[ . 1 . 2]" 1
599 1 51 LEU HA 1 52 GLU H 3.170 . 3.170 2.372 2.336 2.446 . 0 0 "[ . 1 . 2]" 1
600 1 51 LEU QB 1 51 LEU MD1 3.230 . 3.230 2.149 2.129 2.164 . 0 0 "[ . 1 . 2]" 1
601 1 51 LEU QB 1 52 GLU H 3.220 . 3.220 2.724 2.526 2.957 . 0 0 "[ . 1 . 2]" 1
602 1 51 LEU QB 1 62 ILE HB 3.690 . 3.690 2.328 1.803 2.726 . 0 0 "[ . 1 . 2]" 1
603 1 51 LEU QB 1 62 ILE MD 4.590 . 4.590 3.148 2.654 3.636 . 0 0 "[ . 1 . 2]" 1
604 1 51 LEU MD1 1 62 ILE MD 4.680 . 4.680 4.134 3.608 4.632 . 0 0 "[ . 1 . 2]" 1
605 1 51 LEU MD1 1 64 GLN HA 3.540 . 3.540 2.469 2.124 2.896 . 0 0 "[ . 1 . 2]" 1
606 1 51 LEU MD1 1 64 GLN QB 4.120 . 4.120 2.876 2.256 3.583 . 0 0 "[ . 1 . 2]" 1
607 1 51 LEU MD1 1 64 GLN HG2 4.560 . 4.560 3.719 3.451 4.487 . 0 0 "[ . 1 . 2]" 1
608 1 51 LEU MD1 1 64 GLN QG 3.980 . 3.980 2.335 1.862 4.089 0.109 5 0 "[ . 1 . 2]" 1
609 1 51 LEU MD1 1 64 GLN HG3 4.560 . 4.560 2.443 1.870 4.712 0.152 5 0 "[ . 1 . 2]" 1
610 1 51 LEU MD2 1 52 GLU H 4.100 . 4.100 3.763 3.611 3.999 . 0 0 "[ . 1 . 2]" 1
611 1 51 LEU MD2 1 64 GLN HA 4.240 . 4.240 4.267 4.083 4.414 0.174 8 0 "[ . 1 . 2]" 1
612 1 51 LEU MD2 1 64 GLN QE 4.790 . 4.790 3.615 2.641 4.855 0.065 12 0 "[ . 1 . 2]" 1
613 1 51 LEU MD2 1 64 GLN QG 4.210 . 4.210 3.254 2.756 4.173 . 0 0 "[ . 1 . 2]" 1
614 1 51 LEU HG 1 64 GLN H 4.460 . 4.460 3.753 3.302 4.164 . 0 0 "[ . 1 . 2]" 1
615 1 51 LEU HG 1 64 GLN HA 3.490 . 3.490 2.967 2.592 3.231 . 0 0 "[ . 1 . 2]" 1
616 1 51 LEU HG 1 64 GLN QB 4.040 . 4.040 2.134 1.817 2.423 . 0 0 "[ . 1 . 2]" 1
617 1 52 GLU H 1 52 GLU HB2 3.760 . 3.760 2.581 2.411 3.060 . 0 0 "[ . 1 . 2]" 1
618 1 52 GLU H 1 52 GLU HB3 4.100 . 4.100 3.682 2.793 3.804 . 0 0 "[ . 1 . 2]" 1
619 1 52 GLU H 1 52 GLU QG 4.200 . 4.200 3.043 2.674 4.290 0.090 5 0 "[ . 1 . 2]" 1
620 1 52 GLU H 1 53 GLY H 4.840 . 4.840 4.361 4.218 4.487 . 0 0 "[ . 1 . 2]" 1
621 1 52 GLU HA 1 52 GLU QG 3.790 . 3.790 2.444 2.269 2.826 . 0 0 "[ . 1 . 2]" 1
622 1 52 GLU HA 1 53 GLY H 2.930 . 2.930 2.162 2.114 2.237 . 0 0 "[ . 1 . 2]" 1
623 1 52 GLU HA 1 53 GLY HA3 4.920 . 4.920 4.332 4.244 4.410 . 0 0 "[ . 1 . 2]" 1
624 1 52 GLU HA 1 60 GLY H 4.610 . 4.610 3.731 3.308 4.225 . 0 0 "[ . 1 . 2]" 1
625 1 52 GLU HA 1 61 LEU MD2 4.420 . 4.420 3.881 3.356 4.372 . 0 0 "[ . 1 . 2]" 1
626 1 52 GLU HA 1 62 ILE H 4.110 . 4.110 3.554 3.211 3.873 . 0 0 "[ . 1 . 2]" 1
627 1 52 GLU HA 1 62 ILE MD 4.690 . 4.690 3.534 3.052 4.082 . 0 0 "[ . 1 . 2]" 1
628 1 52 GLU HB2 1 53 GLY H 4.600 . 4.600 4.248 4.061 4.391 . 0 0 "[ . 1 . 2]" 1
629 1 52 GLU HB3 1 53 GLY H 4.150 . 4.150 3.329 2.905 4.202 0.052 5 0 "[ . 1 . 2]" 1
630 1 52 GLU QG 1 53 GLY H 4.300 . 4.300 4.029 3.045 4.598 0.298 9 0 "[ . 1 . 2]" 1
631 1 52 GLU QG 1 61 LEU H 5.500 . 5.500 4.404 3.720 5.549 0.049 9 0 "[ . 1 . 2]" 1
632 1 52 GLU QG 1 61 LEU HA 4.320 . 4.320 3.151 2.415 4.164 . 0 0 "[ . 1 . 2]" 1
633 1 52 GLU QG 1 61 LEU MD2 3.300 . 3.300 2.451 2.019 3.361 0.061 9 0 "[ . 1 . 2]" 1
634 1 53 GLY H 1 54 THR H 5.190 . 5.190 4.368 4.318 4.399 . 0 0 "[ . 1 . 2]" 1
635 1 53 GLY H 1 54 THR HA 5.330 . 5.330 4.714 4.566 4.817 . 0 0 "[ . 1 . 2]" 1
636 1 53 GLY H 1 59 ARG QG 4.750 . 4.750 3.064 2.451 4.626 . 0 0 "[ . 1 . 2]" 1
637 1 53 GLY H 1 60 GLY H 3.490 . 3.490 2.675 2.348 2.869 . 0 0 "[ . 1 . 2]" 1
638 1 53 GLY H 1 61 LEU HA 5.500 . 5.500 4.796 4.225 5.316 . 0 0 "[ . 1 . 2]" 1
639 1 53 GLY H 1 62 ILE H 4.800 . 4.800 4.768 4.419 4.977 0.177 14 0 "[ . 1 . 2]" 1
640 1 53 GLY H 1 62 ILE MD 3.820 . 3.820 2.636 2.340 2.916 . 0 0 "[ . 1 . 2]" 1
641 1 53 GLY HA2 1 54 THR H 3.400 . 3.400 2.380 2.200 2.547 . 0 0 "[ . 1 . 2]" 1
642 1 53 GLY HA2 1 62 ILE MD 4.310 . 4.310 3.539 3.426 3.685 . 0 0 "[ . 1 . 2]" 1
643 1 53 GLY HA3 1 62 ILE MD 3.600 . 3.600 2.196 2.000 2.472 . 0 0 "[ . 1 . 2]" 1
644 1 54 THR H 1 54 THR HB 3.380 . 3.380 2.613 2.399 2.707 . 0 0 "[ . 1 . 2]" 1
645 1 54 THR H 1 54 THR MG 4.320 . 4.320 3.847 3.762 3.877 . 0 0 "[ . 1 . 2]" 1
646 1 54 THR H 1 55 LEU H 4.340 . 4.340 4.378 4.343 4.460 0.120 1 0 "[ . 1 . 2]" 1
647 1 54 THR H 1 62 ILE MD 5.140 . 5.140 4.102 3.634 4.353 . 0 0 "[ . 1 . 2]" 1
648 1 54 THR HA 1 54 THR MG 3.420 . 3.420 2.386 2.341 2.499 . 0 0 "[ . 1 . 2]" 1
649 1 54 THR HA 1 55 LEU H 2.910 . 2.910 2.154 2.123 2.183 . 0 0 "[ . 1 . 2]" 1
650 1 54 THR HA 1 58 LYS H 4.720 . 4.720 3.892 3.493 4.613 . 0 0 "[ . 1 . 2]" 1
651 1 54 THR HA 1 59 ARG QB 4.850 . 4.850 3.274 2.611 3.939 . 0 0 "[ . 1 . 2]" 1
652 1 54 THR HA 1 59 ARG QG 5.210 . 5.210 3.886 2.894 5.274 0.064 16 0 "[ . 1 . 2]" 1
653 1 54 THR HA 1 60 GLY H 4.450 . 4.450 4.258 3.653 4.559 0.109 7 0 "[ . 1 . 2]" 1
654 1 54 THR HB 1 55 LEU H 4.650 . 4.650 4.195 4.013 4.299 . 0 0 "[ . 1 . 2]" 1
655 1 54 THR MG 1 55 LEU H 3.270 . 3.270 2.899 2.652 3.078 . 0 0 "[ . 1 . 2]" 1
656 1 54 THR MG 1 56 ASN H 4.580 . 4.580 3.892 3.418 4.155 . 0 0 "[ . 1 . 2]" 1
657 1 54 THR MG 1 57 GLY H 3.460 . 3.460 2.720 2.065 3.556 0.096 16 0 "[ . 1 . 2]" 1
658 1 54 THR MG 1 57 GLY HA2 4.210 . 4.210 2.403 2.201 2.643 . 0 0 "[ . 1 . 2]" 1
659 1 54 THR MG 1 57 GLY QA 3.630 . 3.630 2.375 2.182 2.604 . 0 0 "[ . 1 . 2]" 1
660 1 54 THR MG 1 57 GLY HA3 4.210 . 4.210 3.724 3.600 3.924 . 0 0 "[ . 1 . 2]" 1
661 1 54 THR MG 1 58 LYS H 3.590 . 3.590 2.783 2.454 3.353 . 0 0 "[ . 1 . 2]" 1
662 1 54 THR MG 1 59 ARG H 4.650 . 4.650 3.920 3.446 4.394 . 0 0 "[ . 1 . 2]" 1
663 1 54 THR MG 1 59 ARG HA 4.700 . 4.700 3.849 3.225 4.270 . 0 0 "[ . 1 . 2]" 1
664 1 54 THR MG 1 59 ARG QB 4.070 . 4.070 3.326 2.421 4.140 0.070 16 0 "[ . 1 . 2]" 1
665 1 55 LEU H 1 55 LEU HB2 3.820 . 3.820 3.044 2.926 3.240 . 0 0 "[ . 1 . 2]" 1
666 1 55 LEU H 1 55 LEU HB3 3.510 . 3.510 2.637 2.530 2.878 . 0 0 "[ . 1 . 2]" 1
667 1 55 LEU H 1 56 ASN H 4.510 . 4.510 4.108 3.992 4.292 . 0 0 "[ . 1 . 2]" 1
668 1 55 LEU H 1 58 LYS H 3.690 . 3.690 2.719 2.381 3.239 . 0 0 "[ . 1 . 2]" 1
669 1 55 LEU H 1 58 LYS HB2 4.720 . 4.720 4.865 4.760 5.050 0.330 5 0 "[ . 1 . 2]" 1
670 1 55 LEU H 1 59 ARG HA 4.320 . 4.320 3.563 2.980 3.929 . 0 0 "[ . 1 . 2]" 1
671 1 55 LEU H 1 62 ILE MD 5.140 . 5.140 5.044 4.728 5.332 0.192 14 0 "[ . 1 . 2]" 1
672 1 55 LEU HA 1 55 LEU MD1 3.860 . 3.860 2.142 2.044 2.206 . 0 0 "[ . 1 . 2]" 1
673 1 55 LEU HA 1 56 ASN H 3.090 . 3.090 2.166 2.114 2.211 . 0 0 "[ . 1 . 2]" 1
674 1 55 LEU HB2 1 55 LEU MD1 3.200 . 3.200 2.449 2.368 2.513 . 0 0 "[ . 1 . 2]" 1
675 1 55 LEU HB2 1 55 LEU MD2 3.580 . 3.580 2.471 2.399 2.552 . 0 0 "[ . 1 . 2]" 1
676 1 55 LEU HB3 1 55 LEU MD2 3.450 . 3.450 2.347 2.299 2.400 . 0 0 "[ . 1 . 2]" 1
677 1 55 LEU MD1 1 56 ASN H 3.800 . 3.800 2.904 2.519 3.266 . 0 0 "[ . 1 . 2]" 1
678 1 55 LEU MD1 1 56 ASN HD21 4.460 . 4.460 3.754 2.373 4.511 0.051 10 0 "[ . 1 . 2]" 1
679 1 55 LEU MD1 1 56 ASN QD 3.900 . 3.900 3.125 2.271 3.645 . 0 0 "[ . 1 . 2]" 1
680 1 55 LEU MD1 1 56 ASN HD22 4.460 . 4.460 3.383 2.741 3.959 . 0 0 "[ . 1 . 2]" 1
681 1 55 LEU HG 1 56 ASN H 4.490 . 4.490 3.632 3.263 3.949 . 0 0 "[ . 1 . 2]" 1
682 1 55 LEU HG 1 56 ASN QB 4.410 . 4.410 3.546 3.065 4.113 . 0 0 "[ . 1 . 2]" 1
683 1 55 LEU HG 1 56 ASN HD21 4.750 . 4.750 3.078 1.737 4.914 0.164 19 0 "[ . 1 . 2]" 1
684 1 55 LEU HG 1 56 ASN QD 3.960 . 3.960 2.760 1.715 3.946 . 0 0 "[ . 1 . 2]" 1
685 1 55 LEU HG 1 56 ASN HD22 4.750 . 4.750 3.268 2.369 4.156 . 0 0 "[ . 1 . 2]" 1
686 1 56 ASN H 1 57 GLY H 4.060 . 4.060 3.090 2.634 3.896 . 0 0 "[ . 1 . 2]" 1
687 1 56 ASN HA 1 56 ASN QD 4.040 . 4.040 3.521 2.003 4.121 0.081 9 0 "[ . 1 . 2]" 1
688 1 56 ASN HA 1 57 GLY H 3.410 . 3.410 3.180 2.839 3.559 0.149 19 0 "[ . 1 . 2]" 1
689 1 56 ASN QB 1 56 ASN QD 3.030 . 3.030 2.271 2.111 2.706 . 0 0 "[ . 1 . 2]" 1
690 1 57 GLY H 1 58 LYS H 3.610 . 3.610 2.239 1.655 2.509 . 0 0 "[ . 1 . 2]" 1
691 1 58 LYS H 1 58 LYS HB2 3.280 . 3.280 2.990 2.591 3.135 . 0 0 "[ . 1 . 2]" 1
692 1 58 LYS H 1 58 LYS HB3 3.360 . 3.360 2.656 2.451 2.809 . 0 0 "[ . 1 . 2]" 1
693 1 58 LYS H 1 58 LYS QG 4.230 . 4.230 4.114 4.028 4.168 . 0 0 "[ . 1 . 2]" 1
694 1 58 LYS H 1 59 ARG H 4.770 . 4.770 4.297 4.169 4.420 . 0 0 "[ . 1 . 2]" 1
695 1 58 LYS HA 1 58 LYS QD 4.910 . 4.910 4.116 4.042 4.281 . 0 0 "[ . 1 . 2]" 1
696 1 58 LYS HA 1 59 ARG H 2.820 . 2.820 2.173 2.128 2.240 . 0 0 "[ . 1 . 2]" 1
697 1 58 LYS HB3 1 59 ARG H 4.130 . 4.130 4.224 4.147 4.314 0.184 20 0 "[ . 1 . 2]" 1
698 1 58 LYS QG 1 59 ARG H 3.490 . 3.490 2.976 2.722 3.230 . 0 0 "[ . 1 . 2]" 1
699 1 58 LYS HG2 1 59 ARG H 4.090 . 4.090 3.235 2.922 3.529 . 0 0 "[ . 1 . 2]" 1
700 1 58 LYS HG3 1 59 ARG H 4.090 . 4.090 3.491 3.179 3.874 . 0 0 "[ . 1 . 2]" 1
701 1 59 ARG H 1 59 ARG HB2 3.940 . 3.940 2.905 2.710 3.059 . 0 0 "[ . 1 . 2]" 1
702 1 59 ARG H 1 59 ARG QB 3.130 . 3.130 2.372 2.285 2.498 . 0 0 "[ . 1 . 2]" 1
703 1 59 ARG H 1 59 ARG HB3 3.940 . 3.940 2.522 2.378 2.696 . 0 0 "[ . 1 . 2]" 1
704 1 59 ARG HA 1 59 ARG QD 4.600 . 4.600 4.013 2.365 4.389 . 0 0 "[ . 1 . 2]" 1
705 1 59 ARG HA 1 59 ARG QG 3.780 . 3.780 2.558 2.428 3.116 . 0 0 "[ . 1 . 2]" 1
706 1 59 ARG HA 1 60 GLY H 2.980 . 2.980 2.232 2.178 2.300 . 0 0 "[ . 1 . 2]" 1
707 1 59 ARG QB 1 59 ARG QD 3.290 . 3.290 2.388 2.167 2.921 . 0 0 "[ . 1 . 2]" 1
708 1 59 ARG QB 1 59 ARG HE 4.530 . 4.530 2.696 1.860 4.116 . 0 0 "[ . 1 . 2]" 1
709 1 59 ARG HB2 1 59 ARG HD2 4.200 . 4.200 3.247 2.432 3.888 . 0 0 "[ . 1 . 2]" 1
710 1 59 ARG HB2 1 59 ARG HD3 4.200 . 4.200 3.393 2.497 4.245 0.045 3 0 "[ . 1 . 2]" 1
711 1 59 ARG HB3 1 59 ARG HD2 4.200 . 4.200 3.027 2.400 4.273 0.073 16 0 "[ . 1 . 2]" 1
712 1 59 ARG HB3 1 59 ARG HD3 4.200 . 4.200 3.309 2.421 3.827 . 0 0 "[ . 1 . 2]" 1
713 1 59 ARG QG 1 60 GLY H 3.320 . 3.320 2.596 2.303 3.378 0.058 16 0 "[ . 1 . 2]" 1
714 1 59 ARG QG 1 60 GLY HA2 5.190 . 5.190 3.454 3.001 4.815 . 0 0 "[ . 1 . 2]" 1
715 1 60 GLY H 1 61 LEU H 4.430 . 4.430 4.348 4.298 4.400 . 0 0 "[ . 1 . 2]" 1
716 1 60 GLY HA2 1 61 LEU H 3.420 . 3.420 2.642 2.467 2.793 . 0 0 "[ . 1 . 2]" 1
717 1 60 GLY HA3 1 61 LEU H 3.360 . 3.360 2.431 2.329 2.545 . 0 0 "[ . 1 . 2]" 1
718 1 61 LEU H 1 61 LEU HB2 3.400 . 3.400 2.406 2.242 2.550 . 0 0 "[ . 1 . 2]" 1
719 1 61 LEU H 1 61 LEU MD1 4.380 . 4.380 3.758 3.568 3.940 . 0 0 "[ . 1 . 2]" 1
720 1 61 LEU H 1 61 LEU MD2 4.530 . 4.530 3.513 3.174 3.778 . 0 0 "[ . 1 . 2]" 1
721 1 61 LEU H 1 61 LEU HG 3.330 . 3.330 2.575 2.290 2.749 . 0 0 "[ . 1 . 2]" 1
722 1 61 LEU H 1 62 ILE H 4.980 . 4.980 4.440 4.368 4.535 . 0 0 "[ . 1 . 2]" 1
723 1 61 LEU HA 1 61 LEU MD1 4.720 . 4.720 3.890 3.852 3.953 . 0 0 "[ . 1 . 2]" 1
724 1 61 LEU HA 1 61 LEU MD2 3.120 . 3.120 2.024 1.925 2.143 . 0 0 "[ . 1 . 2]" 1
725 1 61 LEU HA 1 61 LEU HG 3.870 . 3.870 3.083 2.851 3.276 . 0 0 "[ . 1 . 2]" 1
726 1 61 LEU HA 1 62 ILE H 2.970 . 2.970 2.084 2.041 2.150 . 0 0 "[ . 1 . 2]" 1
727 1 61 LEU HA 1 62 ILE HB 4.920 . 4.920 4.535 4.367 4.818 . 0 0 "[ . 1 . 2]" 1
728 1 61 LEU HA 1 62 ILE HG13 4.800 . 4.800 3.663 3.457 3.803 . 0 0 "[ . 1 . 2]" 1
729 1 61 LEU HB2 1 61 LEU MD1 3.570 . 3.570 2.364 2.313 2.414 . 0 0 "[ . 1 . 2]" 1
730 1 61 LEU HB3 1 61 LEU MD2 3.630 . 3.630 2.446 2.351 2.532 . 0 0 "[ . 1 . 2]" 1
731 1 61 LEU HB3 1 62 ILE H 3.960 . 3.960 3.314 3.173 3.520 . 0 0 "[ . 1 . 2]" 1
732 1 61 LEU MD2 1 62 ILE H 4.070 . 4.070 3.468 3.324 3.783 . 0 0 "[ . 1 . 2]" 1
733 1 62 ILE H 1 62 ILE HB 3.630 . 3.630 2.597 2.517 2.760 . 0 0 "[ . 1 . 2]" 1
734 1 62 ILE H 1 62 ILE MD 4.640 . 4.640 3.917 3.770 4.074 . 0 0 "[ . 1 . 2]" 1
735 1 62 ILE H 1 62 ILE HG12 4.860 . 4.860 3.833 3.564 3.988 . 0 0 "[ . 1 . 2]" 1
736 1 62 ILE H 1 62 ILE HG13 3.880 . 3.880 2.670 2.356 2.911 . 0 0 "[ . 1 . 2]" 1
737 1 62 ILE H 1 62 ILE MG 4.640 . 4.640 3.847 3.813 3.896 . 0 0 "[ . 1 . 2]" 1
738 1 62 ILE HA 1 62 ILE MD 4.600 . 4.600 3.942 3.877 4.012 . 0 0 "[ . 1 . 2]" 1
739 1 62 ILE HA 1 62 ILE HG13 4.150 . 4.150 3.163 3.089 3.304 . 0 0 "[ . 1 . 2]" 1
740 1 62 ILE HA 1 62 ILE MG 3.720 . 3.720 2.452 2.338 2.511 . 0 0 "[ . 1 . 2]" 1
741 1 62 ILE HB 1 62 ILE MD 3.330 . 3.330 2.443 2.418 2.466 . 0 0 "[ . 1 . 2]" 1
742 1 62 ILE MD 1 62 ILE MG 3.460 . 3.460 2.021 1.994 2.066 . 0 0 "[ . 1 . 2]" 1
743 1 62 ILE MD 1 67 VAL MG1 4.080 . 4.080 3.180 2.728 3.575 . 0 0 "[ . 1 . 2]" 1
744 1 62 ILE MD 1 67 VAL MG2 4.570 . 4.570 3.667 3.427 4.030 . 0 0 "[ . 1 . 2]" 1
745 1 62 ILE MG 1 63 PRO HA 4.700 . 4.700 4.151 4.017 4.349 . 0 0 "[ . 1 . 2]" 1
746 1 62 ILE MG 1 63 PRO HD2 4.140 . 4.140 2.634 2.525 2.805 . 0 0 "[ . 1 . 2]" 1
747 1 62 ILE MG 1 63 PRO QD 3.400 . 3.400 2.558 2.447 2.713 . 0 0 "[ . 1 . 2]" 1
748 1 62 ILE MG 1 63 PRO HD3 4.140 . 4.140 3.490 3.281 3.957 . 0 0 "[ . 1 . 2]" 1
749 1 62 ILE MG 1 66 TYR QB 5.340 . 5.340 3.685 3.200 4.062 . 0 0 "[ . 1 . 2]" 1
750 1 63 PRO HA 1 64 GLN H 2.770 . 2.770 2.145 2.105 2.215 . 0 0 "[ . 1 . 2]" 1
751 1 63 PRO HA 1 65 ASN H 4.300 . 4.300 3.906 3.625 4.154 . 0 0 "[ . 1 . 2]" 1
752 1 63 PRO HB2 1 65 ASN H 4.270 . 4.270 3.789 3.419 4.068 . 0 0 "[ . 1 . 2]" 1
753 1 63 PRO HB2 1 66 TYR H 3.970 . 3.970 2.796 2.540 3.172 . 0 0 "[ . 1 . 2]" 1
754 1 63 PRO HB2 1 66 TYR HB2 5.250 . 5.250 2.528 2.053 3.371 . 0 0 "[ . 1 . 2]" 1
755 1 63 PRO HB2 1 66 TYR QB 4.410 . 4.410 2.503 2.043 3.317 . 0 0 "[ . 1 . 2]" 1
756 1 63 PRO HB2 1 66 TYR HB3 5.250 . 5.250 4.069 3.600 4.928 . 0 0 "[ . 1 . 2]" 1
757 1 63 PRO HB2 1 66 TYR QD 5.080 . 5.080 2.821 1.528 3.231 . 0 0 "[ . 1 . 2]" 1
758 1 63 PRO HB3 1 65 ASN H 4.960 . 4.960 4.267 3.917 4.805 . 0 0 "[ . 1 . 2]" 1
759 1 63 PRO HB3 1 66 TYR QD 4.960 . 4.960 3.943 2.972 4.397 . 0 0 "[ . 1 . 2]" 1
760 1 63 PRO HB3 1 66 TYR QE 5.500 . 5.500 4.298 3.438 4.766 . 0 0 "[ . 1 . 2]" 1
761 1 63 PRO QG 1 66 TYR QB 4.700 . 4.700 3.089 2.028 3.729 . 0 0 "[ . 1 . 2]" 1
762 1 63 PRO QG 1 66 TYR QD 3.910 . 3.910 2.476 1.937 2.983 . 0 0 "[ . 1 . 2]" 1
763 1 63 PRO QG 1 66 TYR QE 3.750 . 3.750 3.336 2.586 3.776 0.026 6 0 "[ . 1 . 2]" 1
764 1 64 GLN H 1 64 GLN QB 3.020 . 3.020 2.266 2.162 2.698 . 0 0 "[ . 1 . 2]" 1
765 1 64 GLN H 1 64 GLN HG2 4.700 . 4.700 4.317 3.159 4.506 . 0 0 "[ . 1 . 2]" 1
766 1 64 GLN H 1 64 GLN QG 4.070 . 4.070 3.706 2.008 4.010 . 0 0 "[ . 1 . 2]" 1
767 1 64 GLN H 1 64 GLN HG3 4.700 . 4.700 4.118 2.018 4.534 . 0 0 "[ . 1 . 2]" 1
768 1 64 GLN H 1 65 ASN H 3.700 . 3.700 2.758 2.694 2.852 . 0 0 "[ . 1 . 2]" 1
769 1 64 GLN HA 1 64 GLN QG 3.690 . 3.690 2.692 2.483 3.537 . 0 0 "[ . 1 . 2]" 1
770 1 64 GLN HA 1 66 TYR H 4.650 . 4.650 4.066 3.701 4.375 . 0 0 "[ . 1 . 2]" 1
771 1 64 GLN HA 1 67 VAL H 4.890 . 4.890 3.697 3.444 3.937 . 0 0 "[ . 1 . 2]" 1
772 1 64 GLN HA 1 67 VAL MG2 3.380 . 3.380 2.233 1.898 2.433 . 0 0 "[ . 1 . 2]" 1
773 1 64 GLN QB 1 65 ASN H 3.580 . 3.580 2.795 2.460 3.660 0.080 12 0 "[ . 1 . 2]" 1
774 1 64 GLN HG2 1 65 ASN H 4.670 . 4.670 3.888 3.682 4.531 . 0 0 "[ . 1 . 2]" 1
775 1 64 GLN HG3 1 65 ASN H 4.670 . 4.670 4.456 2.184 4.913 0.243 15 0 "[ . 1 . 2]" 1
776 1 65 ASN H 1 65 ASN QB 3.270 . 3.270 2.282 2.179 2.496 . 0 0 "[ . 1 . 2]" 1
777 1 65 ASN H 1 65 ASN HD21 5.030 . 5.030 4.286 2.370 4.719 . 0 0 "[ . 1 . 2]" 1
778 1 65 ASN H 1 66 TYR H 3.450 . 3.450 2.660 2.400 2.847 . 0 0 "[ . 1 . 2]" 1
779 1 65 ASN H 1 66 TYR QD 4.680 . 4.680 4.478 3.932 4.937 0.257 15 0 "[ . 1 . 2]" 1
780 1 65 ASN H 1 67 VAL H 4.870 . 4.870 4.179 3.978 4.289 . 0 0 "[ . 1 . 2]" 1
781 1 65 ASN QB 1 66 TYR H 4.620 . 4.620 2.908 2.744 3.284 . 0 0 "[ . 1 . 2]" 1
782 1 65 ASN QB 1 66 TYR QE 5.050 . 5.050 3.627 3.090 4.355 . 0 0 "[ . 1 . 2]" 1
783 1 66 TYR H 1 66 TYR HB2 3.840 . 3.840 2.419 2.325 2.542 . 0 0 "[ . 1 . 2]" 1
784 1 66 TYR H 1 66 TYR QB 3.120 . 3.120 2.386 2.298 2.502 . 0 0 "[ . 1 . 2]" 1
785 1 66 TYR H 1 66 TYR HB3 3.840 . 3.840 3.640 3.593 3.724 . 0 0 "[ . 1 . 2]" 1
786 1 66 TYR H 1 66 TYR QD 3.860 . 3.860 2.876 2.272 3.612 . 0 0 "[ . 1 . 2]" 1
787 1 66 TYR H 1 67 VAL H 3.130 . 3.130 2.468 2.183 2.596 . 0 0 "[ . 1 . 2]" 1
788 1 66 TYR H 1 67 VAL MG1 4.200 . 4.200 4.013 3.443 4.227 0.027 8 0 "[ . 1 . 2]" 1
789 1 66 TYR H 1 67 VAL MG2 4.510 . 4.510 3.690 3.424 3.862 . 0 0 "[ . 1 . 2]" 1
790 1 66 TYR QB 1 67 VAL MG1 3.790 . 3.790 2.979 2.669 3.212 . 0 0 "[ . 1 . 2]" 1
791 1 66 TYR HB2 1 67 VAL H 4.740 . 4.740 3.508 3.308 3.647 . 0 0 "[ . 1 . 2]" 1
792 1 66 TYR HB2 1 67 VAL MG1 4.510 . 4.510 3.194 2.769 3.490 . 0 0 "[ . 1 . 2]" 1
793 1 66 TYR HB3 1 67 VAL H 4.740 . 4.740 4.178 3.998 4.279 . 0 0 "[ . 1 . 2]" 1
794 1 66 TYR HB3 1 67 VAL MG1 4.510 . 4.510 3.588 3.276 3.792 . 0 0 "[ . 1 . 2]" 1
795 1 67 VAL H 1 67 VAL MG1 4.020 . 4.020 2.934 2.770 3.065 . 0 0 "[ . 1 . 2]" 1
796 1 67 VAL H 1 67 VAL MG2 3.060 . 3.060 2.291 2.200 2.341 . 0 0 "[ . 1 . 2]" 1
797 1 67 VAL H 1 68 LYS H 4.770 . 4.770 4.457 4.401 4.489 . 0 0 "[ . 1 . 2]" 1
798 1 67 VAL HA 1 67 VAL MG1 3.420 . 3.420 2.375 2.320 2.437 . 0 0 "[ . 1 . 2]" 1
799 1 67 VAL HA 1 68 LYS H 2.990 . 2.990 2.319 2.153 2.423 . 0 0 "[ . 1 . 2]" 1
800 1 67 VAL HB 1 68 LYS H 3.170 . 3.170 2.453 2.184 2.829 . 0 0 "[ . 1 . 2]" 1
801 1 67 VAL MG1 1 68 LYS H 4.320 . 4.320 3.674 3.509 3.835 . 0 0 "[ . 1 . 2]" 1
802 1 67 VAL MG2 1 68 LYS H 3.730 . 3.730 3.460 3.176 3.840 0.110 8 0 "[ . 1 . 2]" 1
803 1 67 VAL MG2 1 69 LEU H 4.520 . 4.520 4.136 3.836 4.492 . 0 0 "[ . 1 . 2]" 1
804 1 67 VAL MG2 1 69 LEU MD2 2.980 . 2.980 2.959 2.690 3.125 0.145 1 0 "[ . 1 . 2]" 1
805 1 68 LYS H 1 68 LYS HB2 4.020 . 4.020 3.035 2.583 3.214 . 0 0 "[ . 1 . 2]" 1
806 1 68 LYS H 1 68 LYS HB3 3.640 . 3.640 2.763 2.478 3.778 0.138 3 0 "[ . 1 . 2]" 1
807 1 68 LYS H 1 68 LYS QG 4.300 . 4.300 4.073 3.237 4.277 . 0 0 "[ . 1 . 2]" 1
808 1 68 LYS HA 1 69 LEU H 2.730 . 2.730 2.175 2.140 2.233 . 0 0 "[ . 1 . 2]" 1
809 1 68 LYS QG 1 69 LEU H 5.110 . 5.110 3.242 2.577 4.722 . 0 0 "[ . 1 . 2]" 1
810 1 69 LEU H 1 69 LEU HB2 3.580 . 3.580 2.505 2.393 2.624 . 0 0 "[ . 1 . 2]" 1
811 1 69 LEU H 1 69 LEU QB 3.050 . 3.050 2.460 2.359 2.566 . 0 0 "[ . 1 . 2]" 1
812 1 69 LEU H 1 69 LEU HB3 3.580 . 3.580 3.599 3.570 3.624 0.044 1 0 "[ . 1 . 2]" 1
813 1 69 LEU H 1 69 LEU MD1 4.170 . 4.170 3.703 3.555 3.817 . 0 0 "[ . 1 . 2]" 1
814 1 69 LEU H 1 69 LEU MD2 4.040 . 4.040 3.217 2.999 3.556 . 0 0 "[ . 1 . 2]" 1
815 1 69 LEU H 1 69 LEU HG 3.410 . 3.410 2.317 2.223 2.505 . 0 0 "[ . 1 . 2]" 1
816 1 69 LEU H 1 70 LEU H 4.790 . 4.790 4.443 4.341 4.540 . 0 0 "[ . 1 . 2]" 1
817 1 69 LEU HA 1 69 LEU MD2 3.220 . 3.220 2.081 2.016 2.195 . 0 0 "[ . 1 . 2]" 1
818 1 69 LEU HA 1 70 LEU H 2.910 . 2.910 2.135 2.104 2.167 . 0 0 "[ . 1 . 2]" 1
819 1 69 LEU QB 1 70 LEU H 3.800 . 3.800 3.385 3.194 3.569 . 0 0 "[ . 1 . 2]" 1
820 1 69 LEU HB2 1 70 LEU H 4.590 . 4.590 4.327 4.195 4.444 . 0 0 "[ . 1 . 2]" 1
821 1 69 LEU HB3 1 70 LEU H 4.590 . 4.590 3.537 3.307 3.766 . 0 0 "[ . 1 . 2]" 1
822 1 69 LEU MD2 1 70 LEU H 4.560 . 4.560 3.722 3.558 3.868 . 0 0 "[ . 1 . 2]" 1
823 1 70 LEU H 1 70 LEU HB2 4.130 . 4.130 2.551 2.477 2.668 . 0 0 "[ . 1 . 2]" 1
824 1 70 LEU H 1 70 LEU HB3 4.130 . 4.130 3.634 3.598 3.687 . 0 0 "[ . 1 . 2]" 1
825 1 70 LEU H 1 70 LEU MD1 4.330 . 4.330 3.733 3.639 3.858 . 0 0 "[ . 1 . 2]" 1
826 1 70 LEU H 1 70 LEU MD2 4.130 . 4.130 3.288 2.991 3.589 . 0 0 "[ . 1 . 2]" 1
827 1 70 LEU H 1 70 LEU HG 3.090 . 3.090 2.371 2.166 2.555 . 0 0 "[ . 1 . 2]" 1
828 1 70 LEU HA 1 70 LEU MD1 4.610 . 4.610 3.954 3.924 4.001 . 0 0 "[ . 1 . 2]" 1
829 1 70 LEU HA 1 70 LEU MD2 2.990 . 2.990 2.177 2.081 2.307 . 0 0 "[ . 1 . 2]" 1
830 1 70 LEU HA 1 70 LEU HG 3.780 . 3.780 3.277 3.160 3.376 . 0 0 "[ . 1 . 2]" 1
831 1 70 LEU QB 1 70 LEU MD1 3.120 . 3.120 2.146 2.123 2.177 . 0 0 "[ . 1 . 2]" 1
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