NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
590105 |
2mp8   |
19970 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mp8
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 1002
_Distance_constraint_stats_list.Viol_count 2229
_Distance_constraint_stats_list.Viol_total 1394.773
_Distance_constraint_stats_list.Viol_max 0.168
_Distance_constraint_stats_list.Viol_rms 0.0136
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0035
_Distance_constraint_stats_list.Viol_average_violations_only 0.0313
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 LEU 1.571 0.060 10 0 "[ . 1 . 2]"
1 2 THR 6.487 0.154 3 0 "[ . 1 . 2]"
1 3 ALA 2.368 0.128 16 0 "[ . 1 . 2]"
1 4 ASN 1.497 0.056 14 0 "[ . 1 . 2]"
1 5 LEU 2.861 0.121 20 0 "[ . 1 . 2]"
1 6 GLY 3.089 0.154 3 0 "[ . 1 . 2]"
1 7 ILE 1.035 0.036 6 0 "[ . 1 . 2]"
1 8 SER 0.246 0.023 5 0 "[ . 1 . 2]"
1 9 SER 0.263 0.023 5 0 "[ . 1 . 2]"
1 10 TYR 1.869 0.111 10 0 "[ . 1 . 2]"
1 11 ALA 1.103 0.070 8 0 "[ . 1 . 2]"
1 12 ALA 0.019 0.019 20 0 "[ . 1 . 2]"
1 13 LYS 1.619 0.062 7 0 "[ . 1 . 2]"
1 14 LYS 4.233 0.111 10 0 "[ . 1 . 2]"
1 15 VAL 2.407 0.070 8 0 "[ . 1 . 2]"
1 16 ILE 1.984 0.080 20 0 "[ . 1 . 2]"
1 17 ASP 0.006 0.005 20 0 "[ . 1 . 2]"
1 18 ILE 3.527 0.168 4 0 "[ . 1 . 2]"
1 19 ILE 2.620 0.153 17 0 "[ . 1 . 2]"
1 20 ASN 1.583 0.087 5 0 "[ . 1 . 2]"
1 21 THR 2.853 0.168 4 0 "[ . 1 . 2]"
1 22 GLY 0.269 0.041 19 0 "[ . 1 . 2]"
1 23 SER 2.697 0.128 18 0 "[ . 1 . 2]"
1 24 ALA 3.002 0.128 18 0 "[ . 1 . 2]"
1 25 VAL 1.255 0.070 16 0 "[ . 1 . 2]"
1 26 ALA 0.431 0.041 12 0 "[ . 1 . 2]"
1 27 THR 2.926 0.070 16 0 "[ . 1 . 2]"
1 28 ILE 3.527 0.094 5 0 "[ . 1 . 2]"
1 29 ILE 3.342 0.098 1 0 "[ . 1 . 2]"
1 30 ALA 1.077 0.055 13 0 "[ . 1 . 2]"
1 31 LEU 2.744 0.090 14 0 "[ . 1 . 2]"
1 32 VAL 3.901 0.153 17 0 "[ . 1 . 2]"
1 33 THR 0.781 0.059 6 0 "[ . 1 . 2]"
1 34 ALA 0.305 0.045 12 0 "[ . 1 . 2]"
1 35 VAL 1.494 0.069 15 0 "[ . 1 . 2]"
1 36 VAL 1.766 0.083 4 0 "[ . 1 . 2]"
1 37 GLY 2.175 0.110 13 0 "[ . 1 . 2]"
1 38 GLY 2.196 0.116 5 0 "[ . 1 . 2]"
1 39 GLY 1.755 0.116 5 0 "[ . 1 . 2]"
1 40 LEU 1.638 0.083 4 0 "[ . 1 . 2]"
1 41 ILE 2.203 0.090 16 0 "[ . 1 . 2]"
1 42 THR 1.073 0.091 6 0 "[ . 1 . 2]"
1 43 ALA 0.364 0.054 3 0 "[ . 1 . 2]"
1 44 GLY 0.204 0.030 1 0 "[ . 1 . 2]"
1 45 ILE 1.958 0.091 6 0 "[ . 1 . 2]"
1 46 VAL 1.108 0.076 14 0 "[ . 1 . 2]"
1 47 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 THR 1.320 0.049 5 0 "[ . 1 . 2]"
1 49 ALA 1.042 0.058 6 0 "[ . 1 . 2]"
1 50 LYS 0.314 0.066 8 0 "[ . 1 . 2]"
1 51 SER 1.585 0.116 2 0 "[ . 1 . 2]"
1 52 LEU 2.923 0.056 1 0 "[ . 1 . 2]"
1 53 ILE 0.816 0.056 7 0 "[ . 1 . 2]"
1 54 LYS 1.291 0.116 2 0 "[ . 1 . 2]"
1 55 LYS 5.283 0.104 18 0 "[ . 1 . 2]"
1 56 TYR 10.042 0.104 18 0 "[ . 1 . 2]"
1 57 GLY 0.050 0.027 1 0 "[ . 1 . 2]"
1 58 ALA 1.385 0.071 2 0 "[ . 1 . 2]"
1 59 LYS 0.500 0.044 1 0 "[ . 1 . 2]"
1 60 TYR 6.175 0.102 15 0 "[ . 1 . 2]"
1 61 ALA 1.890 0.102 15 0 "[ . 1 . 2]"
1 62 ALA 0.041 0.009 6 0 "[ . 1 . 2]"
1 63 ALA 0.149 0.020 1 0 "[ . 1 . 2]"
1 64 TRP 6.405 0.075 5 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 14 LYS H 1 14 LYS HA 2.820 . 2.820 2.810 2.775 2.830 0.010 5 0 "[ . 1 . 2]" 1
2 1 13 LYS HB3 1 14 LYS H 2.700 . 2.700 2.497 2.371 2.657 . 0 0 "[ . 1 . 2]" 1
3 1 14 LYS H 1 14 LYS HB2 2.740 . 2.740 2.456 2.392 2.596 . 0 0 "[ . 1 . 2]" 1
4 1 14 LYS H 1 14 LYS QD 4.530 . 4.530 3.930 3.230 4.394 . 0 0 "[ . 1 . 2]" 1
5 1 14 LYS H 1 14 LYS HG2 3.530 . 3.530 2.529 2.069 3.463 . 0 0 "[ . 1 . 2]" 1
6 1 14 LYS H 1 14 LYS HG3 3.530 . 3.530 3.290 2.392 3.587 0.057 18 0 "[ . 1 . 2]" 1
7 1 14 LYS HB3 1 15 VAL H 3.490 . 3.490 3.405 3.255 3.498 0.008 12 0 "[ . 1 . 2]" 1
8 1 14 LYS HB2 1 15 VAL H 2.890 . 2.890 2.421 2.277 2.675 . 0 0 "[ . 1 . 2]" 1
9 1 14 LYS H 1 15 VAL H 2.940 . 2.940 2.739 2.642 2.847 . 0 0 "[ . 1 . 2]" 1
10 1 15 VAL H 1 15 VAL HA 2.840 . 2.840 2.788 2.772 2.804 . 0 0 "[ . 1 . 2]" 1
11 1 15 VAL H 1 15 VAL HB 2.700 . 2.700 2.674 2.641 2.703 0.003 11 0 "[ . 1 . 2]" 1
12 1 15 VAL H 1 15 VAL MG1 3.810 . 3.810 3.811 3.803 3.817 0.007 2 0 "[ . 1 . 2]" 1
13 1 15 VAL HB 1 16 ILE H 2.540 . 2.540 2.432 2.375 2.507 . 0 0 "[ . 1 . 2]" 1
14 1 1 LEU QD 1 16 ILE H 3.380 . 3.380 3.269 3.185 3.384 0.004 16 0 "[ . 1 . 2]" 1
15 1 15 VAL MG1 1 16 ILE H 3.470 . 3.470 3.403 3.354 3.464 . 0 0 "[ . 1 . 2]" 1
16 1 15 VAL H 1 16 ILE H 2.930 . 2.930 2.797 2.740 2.862 . 0 0 "[ . 1 . 2]" 1
17 1 16 ILE H 1 17 ASP H 3.910 . 3.910 2.802 2.688 2.887 . 0 0 "[ . 1 . 2]" 1
18 1 15 VAL HA 1 17 ASP H 4.800 . 4.800 4.506 4.404 4.654 . 0 0 "[ . 1 . 2]" 1
19 1 16 ILE H 1 16 ILE HA 2.940 . 2.940 2.780 2.763 2.815 . 0 0 "[ . 1 . 2]" 1
20 1 49 ALA HA 1 52 LEU H 4.010 . 4.010 3.292 3.179 3.446 . 0 0 "[ . 1 . 2]" 1
21 1 54 LYS H 1 55 LYS HG2 4.010 . 4.010 3.839 3.601 3.972 . 0 0 "[ . 1 . 2]" 1
22 1 17 ASP H 1 17 ASP HA 2.940 . 2.940 2.813 2.784 2.835 . 0 0 "[ . 1 . 2]" 1
23 1 17 ASP H 1 17 ASP HB2 2.980 . 2.980 2.597 2.447 2.717 . 0 0 "[ . 1 . 2]" 1
24 1 17 ASP H 1 17 ASP HB3 2.980 . 2.980 2.517 2.336 2.673 . 0 0 "[ . 1 . 2]" 1
25 1 15 VAL HA 1 18 ILE H 4.590 . 4.590 3.550 3.436 3.738 . 0 0 "[ . 1 . 2]" 1
26 1 17 ASP H 1 18 ILE H 4.040 . 4.040 2.668 2.584 2.759 . 0 0 "[ . 1 . 2]" 1
27 1 18 ILE H 1 19 ILE H 3.340 . 3.340 2.720 2.640 2.845 . 0 0 "[ . 1 . 2]" 1
28 1 18 ILE H 1 18 ILE HB 2.940 . 2.940 2.568 2.506 2.623 . 0 0 "[ . 1 . 2]" 1
29 1 18 ILE H 1 18 ILE HG12 4.330 . 4.330 3.425 3.307 3.548 . 0 0 "[ . 1 . 2]" 1
30 1 18 ILE H 1 18 ILE MG 4.470 . 4.470 3.771 3.744 3.802 . 0 0 "[ . 1 . 2]" 1
31 1 18 ILE H 1 18 ILE MD 4.710 . 4.710 3.456 3.375 3.537 . 0 0 "[ . 1 . 2]" 1
32 1 19 ILE H 1 19 ILE HA 2.830 . 2.830 2.824 2.814 2.837 0.007 17 0 "[ . 1 . 2]" 1
33 1 15 VAL HA 1 19 ILE H 4.320 . 4.320 3.846 3.765 3.935 . 0 0 "[ . 1 . 2]" 1
34 1 18 ILE HB 1 19 ILE H 2.400 . 2.400 2.393 2.271 2.427 0.027 11 0 "[ . 1 . 2]" 1
35 1 18 ILE MG 1 19 ILE H 3.330 . 3.330 3.320 3.155 3.364 0.034 6 0 "[ . 1 . 2]" 1
36 1 19 ILE H 1 19 ILE MG 2.800 . 2.800 2.201 2.157 2.261 . 0 0 "[ . 1 . 2]" 1
37 1 17 ASP HA 1 19 ILE H 5.380 . 5.380 4.896 4.812 4.978 . 0 0 "[ . 1 . 2]" 1
38 1 19 ILE H 1 20 ASN H 3.480 . 3.480 2.691 2.625 2.748 . 0 0 "[ . 1 . 2]" 1
39 1 17 ASP HA 1 20 ASN H 3.900 . 3.900 3.748 3.559 3.902 0.002 18 0 "[ . 1 . 2]" 1
40 1 20 ASN H 1 20 ASN HB3 3.200 . 3.200 2.672 2.529 2.762 . 0 0 "[ . 1 . 2]" 1
41 1 20 ASN H 1 20 ASN HB2 2.400 . 2.400 2.381 2.279 2.442 0.042 20 0 "[ . 1 . 2]" 1
42 1 20 ASN HB3 1 20 ASN HD22 4.070 . 4.070 3.819 3.750 4.021 . 0 0 "[ . 1 . 2]" 1
43 1 20 ASN HB2 1 20 ASN HD22 3.540 . 3.540 3.452 3.389 3.487 . 0 0 "[ . 1 . 2]" 1
44 1 20 ASN HB3 1 20 ASN HD21 3.240 . 3.240 2.956 2.822 3.327 0.087 5 0 "[ . 1 . 2]" 1
45 1 20 ASN HB2 1 20 ASN HD21 2.780 . 2.780 2.179 2.050 2.248 . 0 0 "[ . 1 . 2]" 1
46 1 16 ILE MG 1 20 ASN H 4.230 . 4.230 4.203 4.005 4.273 0.043 18 0 "[ . 1 . 2]" 1
47 1 53 ILE H 1 53 ILE HG12 2.440 . 2.440 2.272 2.216 2.318 . 0 0 "[ . 1 . 2]" 1
48 1 20 ASN H 1 21 THR H 2.830 . 2.830 2.450 2.379 2.648 . 0 0 "[ . 1 . 2]" 1
49 1 13 LYS H 1 13 LYS HB2 2.400 . 2.400 2.378 2.293 2.437 0.037 3 0 "[ . 1 . 2]" 1
50 1 13 LYS H 1 13 LYS HB3 2.850 . 2.850 2.586 2.391 2.698 . 0 0 "[ . 1 . 2]" 1
51 1 13 LYS H 1 13 LYS QD 4.940 . 4.940 4.419 3.924 4.810 . 0 0 "[ . 1 . 2]" 1
52 1 54 LYS QD 1 55 LYS H 5.480 . 5.480 4.776 4.480 5.501 0.021 11 0 "[ . 1 . 2]" 1
53 1 12 ALA MB 1 13 LYS H 2.790 . 2.790 2.468 2.373 2.578 . 0 0 "[ . 1 . 2]" 1
54 1 12 ALA H 1 12 ALA MB 2.770 . 2.770 2.235 2.222 2.247 . 0 0 "[ . 1 . 2]" 1
55 1 12 ALA H 1 13 LYS H 3.240 . 3.240 2.736 2.660 2.828 . 0 0 "[ . 1 . 2]" 1
56 1 11 ALA H 1 12 ALA H 3.070 . 3.070 2.679 2.594 2.781 . 0 0 "[ . 1 . 2]" 1
57 1 11 ALA H 1 11 ALA MB 2.400 . 2.400 2.233 2.211 2.248 . 0 0 "[ . 1 . 2]" 1
58 1 11 ALA MB 1 12 ALA H 3.130 . 3.130 2.534 2.436 2.600 . 0 0 "[ . 1 . 2]" 1
59 1 11 ALA H 1 11 ALA HA 2.860 . 2.860 2.819 2.796 2.836 . 0 0 "[ . 1 . 2]" 1
60 1 8 SER HB2 1 11 ALA H 3.830 . 3.830 3.315 3.129 3.531 . 0 0 "[ . 1 . 2]" 1
61 1 10 TYR HB3 1 11 ALA H 2.560 . 2.560 2.231 2.077 2.418 . 0 0 "[ . 1 . 2]" 1
62 1 10 TYR HA 1 10 TYR QD 3.200 . 3.200 3.157 3.076 3.208 0.008 12 0 "[ . 1 . 2]" 1
63 1 10 TYR QD 1 11 ALA HA 3.320 . 3.320 2.951 2.712 3.228 . 0 0 "[ . 1 . 2]" 1
64 1 1 LEU HB2 1 64 TRP HE3 4.050 . 4.050 4.072 4.041 4.089 0.039 8 0 "[ . 1 . 2]" 1
65 1 20 ASN HB3 1 21 THR H 3.090 . 3.090 2.723 2.601 2.934 . 0 0 "[ . 1 . 2]" 1
66 1 20 ASN HB2 1 21 THR H 3.820 . 3.820 3.763 3.651 3.830 0.010 5 0 "[ . 1 . 2]" 1
67 1 20 ASN HA 1 21 THR H 3.560 . 3.560 3.527 3.485 3.554 . 0 0 "[ . 1 . 2]" 1
68 1 21 THR H 1 21 THR MG 2.640 . 2.640 2.439 2.178 2.642 0.002 19 0 "[ . 1 . 2]" 1
69 1 18 ILE HA 1 21 THR H 3.760 . 3.760 3.427 3.310 3.780 0.020 5 0 "[ . 1 . 2]" 1
70 1 64 TRP HB2 1 64 TRP HD1 2.800 . 2.800 2.621 2.582 2.661 . 0 0 "[ . 1 . 2]" 1
71 1 64 TRP H 1 64 TRP HB2 2.880 . 2.880 2.576 2.525 2.630 . 0 0 "[ . 1 . 2]" 1
72 1 64 TRP H 1 64 TRP HB3 2.870 . 2.870 2.501 2.447 2.543 . 0 0 "[ . 1 . 2]" 1
73 1 2 THR H 1 2 THR MG 3.900 . 3.900 3.697 3.677 3.722 . 0 0 "[ . 1 . 2]" 1
74 1 2 THR H 1 2 THR HA 2.920 . 2.920 2.782 2.762 2.798 . 0 0 "[ . 1 . 2]" 1
75 1 2 THR H 1 2 THR HB 3.090 . 3.090 2.384 2.296 2.490 . 0 0 "[ . 1 . 2]" 1
76 1 1 LEU HA 1 5 LEU H 4.180 . 4.180 3.674 3.537 3.823 . 0 0 "[ . 1 . 2]" 1
77 1 2 THR H 1 3 ALA H 2.950 . 2.950 2.732 2.705 2.759 . 0 0 "[ . 1 . 2]" 1
78 1 4 ASN H 1 5 LEU H 3.100 . 3.100 2.402 2.308 2.509 . 0 0 "[ . 1 . 2]" 1
79 1 2 THR MG 1 3 ALA H 3.090 . 3.090 3.165 3.133 3.218 0.128 16 0 "[ . 1 . 2]" 1
80 1 51 SER H 1 51 SER QB 2.400 . 2.400 2.350 2.231 2.423 0.023 3 0 "[ . 1 . 2]" 1
81 1 33 THR H 1 33 THR HB 2.740 . 2.740 2.497 2.387 2.619 . 0 0 "[ . 1 . 2]" 1
82 1 33 THR H 1 33 THR HA 2.820 . 2.820 2.809 2.793 2.826 0.006 4 0 "[ . 1 . 2]" 1
83 1 6 GLY HA2 1 7 ILE H 3.400 . 3.400 2.685 2.608 2.756 . 0 0 "[ . 1 . 2]" 1
84 1 7 ILE H 1 7 ILE HB 3.750 . 3.750 3.777 3.768 3.786 0.036 6 0 "[ . 1 . 2]" 1
85 1 5 LEU HB2 1 7 ILE H 3.310 . 3.310 3.098 3.004 3.158 . 0 0 "[ . 1 . 2]" 1
86 1 5 LEU HB3 1 7 ILE H 4.300 . 4.300 4.309 4.264 4.331 0.031 13 0 "[ . 1 . 2]" 1
87 1 7 ILE H 1 7 ILE QG 2.920 . 2.920 2.147 2.106 2.190 . 0 0 "[ . 1 . 2]" 1
88 1 2 THR MG 1 7 ILE H 4.950 . 4.950 3.231 2.998 3.416 . 0 0 "[ . 1 . 2]" 1
89 1 7 ILE H 1 7 ILE MG 3.050 . 3.050 2.877 2.767 2.923 . 0 0 "[ . 1 . 2]" 1
90 1 7 ILE H 1 7 ILE MD 3.850 . 3.850 3.852 3.820 3.878 0.028 6 0 "[ . 1 . 2]" 1
91 1 2 THR H 1 7 ILE H 5.500 . 5.500 5.122 5.029 5.224 . 0 0 "[ . 1 . 2]" 1
92 1 6 GLY H 1 6 GLY HA2 2.400 . 2.400 2.308 2.291 2.329 . 0 0 "[ . 1 . 2]" 1
93 1 5 LEU HA 1 6 GLY H 3.560 . 3.560 3.522 3.505 3.537 . 0 0 "[ . 1 . 2]" 1
94 1 5 LEU H 1 5 LEU HB2 2.750 . 2.750 2.469 2.401 2.521 . 0 0 "[ . 1 . 2]" 1
95 1 5 LEU H 1 5 LEU HB3 3.790 . 3.790 3.589 3.553 3.613 . 0 0 "[ . 1 . 2]" 1
96 1 5 LEU H 1 5 LEU HG 2.820 . 2.820 2.291 2.137 2.349 . 0 0 "[ . 1 . 2]" 1
97 1 5 LEU H 1 5 LEU QD 3.090 . 3.090 3.086 3.009 3.117 0.027 13 0 "[ . 1 . 2]" 1
98 1 5 LEU HB2 1 6 GLY H 3.180 . 3.180 2.802 2.750 2.885 . 0 0 "[ . 1 . 2]" 1
99 1 2 THR HA 1 6 GLY H 3.310 . 3.310 3.432 3.392 3.464 0.154 3 0 "[ . 1 . 2]" 1
100 1 4 ASN HB2 1 5 LEU H 3.050 . 3.050 2.884 2.672 3.005 . 0 0 "[ . 1 . 2]" 1
101 1 5 LEU H 1 6 GLY H 2.550 . 2.550 2.284 2.187 2.392 . 0 0 "[ . 1 . 2]" 1
102 1 5 LEU H 1 7 ILE H 4.700 . 4.700 4.002 3.840 4.138 . 0 0 "[ . 1 . 2]" 1
103 1 3 ALA H 1 6 GLY H 5.500 . 5.500 4.515 4.451 4.576 . 0 0 "[ . 1 . 2]" 1
104 1 6 GLY H 1 7 ILE H 2.890 . 2.890 2.304 2.220 2.384 . 0 0 "[ . 1 . 2]" 1
105 1 4 ASN H 1 4 ASN HB2 2.400 . 2.400 2.398 2.363 2.416 0.016 5 0 "[ . 1 . 2]" 1
106 1 4 ASN HB3 1 5 LEU H 3.700 . 3.700 3.654 3.482 3.726 0.026 13 0 "[ . 1 . 2]" 1
107 1 4 ASN H 1 6 GLY H 3.660 . 3.660 3.692 3.670 3.716 0.056 14 0 "[ . 1 . 2]" 1
108 1 3 ALA H 1 3 ALA HA 2.900 . 2.900 2.813 2.785 2.835 . 0 0 "[ . 1 . 2]" 1
109 1 1 LEU HA 1 4 ASN H 3.820 . 3.820 3.744 3.628 3.825 0.005 14 0 "[ . 1 . 2]" 1
110 1 3 ALA H 1 3 ALA MB 2.400 . 2.400 2.213 2.186 2.236 . 0 0 "[ . 1 . 2]" 1
111 1 2 THR HA 1 7 ILE H 2.750 . 2.750 2.419 2.337 2.525 . 0 0 "[ . 1 . 2]" 1
112 1 8 SER H 1 8 SER HA 2.860 . 2.860 2.851 2.831 2.870 0.010 7 0 "[ . 1 . 2]" 1
113 1 7 ILE HA 1 8 SER H 2.700 . 2.700 2.538 2.481 2.584 . 0 0 "[ . 1 . 2]" 1
114 1 7 ILE HB 1 8 SER H 2.400 . 2.400 2.047 1.961 2.195 . 0 0 "[ . 1 . 2]" 1
115 1 7 ILE QG 1 8 SER H 3.740 . 3.740 3.297 3.229 3.363 . 0 0 "[ . 1 . 2]" 1
116 1 8 SER H 1 11 ALA MB 3.920 . 3.920 2.737 2.530 2.960 . 0 0 "[ . 1 . 2]" 1
117 1 7 ILE H 1 8 SER H 4.640 . 4.640 4.450 4.414 4.480 . 0 0 "[ . 1 . 2]" 1
118 1 56 TYR H 1 56 TYR HB3 3.650 . 3.650 3.617 3.601 3.634 . 0 0 "[ . 1 . 2]" 1
119 1 56 TYR H 1 56 TYR HB2 2.790 . 2.790 2.556 2.498 2.603 . 0 0 "[ . 1 . 2]" 1
120 1 56 TYR HB2 1 57 GLY H 3.940 . 3.940 2.573 2.484 2.706 . 0 0 "[ . 1 . 2]" 1
121 1 53 ILE HA 1 57 GLY H 3.450 . 3.450 2.272 2.095 2.492 . 0 0 "[ . 1 . 2]" 1
122 1 57 GLY H 1 57 GLY HA2 2.700 . 2.700 2.502 2.463 2.524 . 0 0 "[ . 1 . 2]" 1
123 1 52 LEU HA 1 56 TYR H 3.320 . 3.320 3.265 3.156 3.312 . 0 0 "[ . 1 . 2]" 1
124 1 56 TYR HA 1 56 TYR QD 2.580 . 2.580 2.197 2.137 2.268 . 0 0 "[ . 1 . 2]" 1
125 1 56 TYR H 1 57 GLY H 2.710 . 2.710 2.322 2.217 2.385 . 0 0 "[ . 1 . 2]" 1
126 1 40 LEU H 1 41 ILE H 3.480 . 3.480 2.883 2.639 3.185 . 0 0 "[ . 1 . 2]" 1
127 1 62 ALA H 1 63 ALA H 2.890 . 2.890 2.722 2.675 2.806 . 0 0 "[ . 1 . 2]" 1
128 1 63 ALA H 1 63 ALA HA 2.940 . 2.940 2.838 2.816 2.856 . 0 0 "[ . 1 . 2]" 1
129 1 63 ALA H 1 63 ALA MB 2.400 . 2.400 2.239 2.197 2.262 . 0 0 "[ . 1 . 2]" 1
130 1 61 ALA HA 1 64 TRP H 3.270 . 3.270 3.109 3.052 3.191 . 0 0 "[ . 1 . 2]" 1
131 1 62 ALA H 1 62 ALA HA 2.790 . 2.790 2.789 2.767 2.799 0.009 6 0 "[ . 1 . 2]" 1
132 1 62 ALA H 1 62 ALA MB 2.580 . 2.580 2.237 2.226 2.249 . 0 0 "[ . 1 . 2]" 1
133 1 62 ALA MB 1 63 ALA H 2.720 . 2.720 2.455 2.383 2.542 . 0 0 "[ . 1 . 2]" 1
134 1 30 ALA HA 1 33 THR H 3.810 . 3.810 3.797 3.683 3.846 0.036 4 0 "[ . 1 . 2]" 1
135 1 61 ALA H 1 61 ALA MB 2.710 . 2.710 2.209 2.185 2.229 . 0 0 "[ . 1 . 2]" 1
136 1 61 ALA H 1 62 ALA H 5.500 . 5.500 2.627 2.589 2.721 . 0 0 "[ . 1 . 2]" 1
137 1 60 TYR HB3 1 61 ALA H 3.170 . 3.170 2.414 2.342 2.474 . 0 0 "[ . 1 . 2]" 1
138 1 32 VAL H 1 33 THR H 2.910 . 2.910 2.629 2.581 2.669 . 0 0 "[ . 1 . 2]" 1
139 1 32 VAL H 1 32 VAL HA 2.900 . 2.900 2.825 2.807 2.837 . 0 0 "[ . 1 . 2]" 1
140 1 32 VAL H 1 32 VAL HB 2.850 . 2.850 2.772 2.727 2.853 0.003 14 0 "[ . 1 . 2]" 1
141 1 31 LEU H 1 32 VAL H 2.840 . 2.840 2.560 2.490 2.606 . 0 0 "[ . 1 . 2]" 1
142 1 31 LEU HA 1 32 VAL H 3.540 . 3.540 3.540 3.523 3.549 0.009 8 0 "[ . 1 . 2]" 1
143 1 31 LEU H 1 31 LEU HB2 2.400 . 2.400 2.412 2.405 2.418 0.018 6 0 "[ . 1 . 2]" 1
144 1 31 LEU H 1 31 LEU HB3 4.020 . 4.020 3.588 3.569 3.602 . 0 0 "[ . 1 . 2]" 1
145 1 40 LEU HB3 1 41 ILE H 4.200 . 4.200 3.114 2.764 3.656 . 0 0 "[ . 1 . 2]" 1
146 1 31 LEU HB2 1 32 VAL H 2.950 . 2.950 2.550 2.434 2.670 . 0 0 "[ . 1 . 2]" 1
147 1 31 LEU HB3 1 32 VAL H 3.690 . 3.690 3.567 3.451 3.655 . 0 0 "[ . 1 . 2]" 1
148 1 18 ILE HB 1 32 VAL H 5.500 . 5.500 4.827 4.697 4.932 . 0 0 "[ . 1 . 2]" 1
149 1 31 LEU HG 1 32 VAL H 5.500 . 5.500 4.347 4.215 4.440 . 0 0 "[ . 1 . 2]" 1
150 1 30 ALA MB 1 31 LEU H 3.010 . 3.010 2.585 2.470 2.664 . 0 0 "[ . 1 . 2]" 1
151 1 31 LEU H 1 31 LEU HG 3.000 . 3.000 2.410 2.315 2.513 . 0 0 "[ . 1 . 2]" 1
152 1 48 THR HB 1 49 ALA H 2.560 . 2.560 2.461 2.387 2.542 . 0 0 "[ . 1 . 2]" 1
153 1 49 ALA H 1 49 ALA HA 2.840 . 2.840 2.780 2.767 2.790 . 0 0 "[ . 1 . 2]" 1
154 1 49 ALA H 1 50 LYS H 3.050 . 3.050 2.798 2.698 2.930 . 0 0 "[ . 1 . 2]" 1
155 1 48 THR H 1 49 ALA H 2.850 . 2.850 2.715 2.630 2.782 . 0 0 "[ . 1 . 2]" 1
156 1 49 ALA H 1 49 ALA MB 2.400 . 2.400 2.211 2.195 2.230 . 0 0 "[ . 1 . 2]" 1
157 1 48 THR MG 1 49 ALA H 3.350 . 3.350 3.367 3.345 3.387 0.037 18 0 "[ . 1 . 2]" 1
158 1 48 THR H 1 48 THR MG 3.970 . 3.970 3.745 3.719 3.769 . 0 0 "[ . 1 . 2]" 1
159 1 47 ALA MB 1 48 THR H 2.910 . 2.910 2.471 2.316 2.651 . 0 0 "[ . 1 . 2]" 1
160 1 47 ALA H 1 47 ALA MB 2.400 . 2.400 2.231 2.211 2.249 . 0 0 "[ . 1 . 2]" 1
161 1 48 THR H 1 48 THR HB 2.570 . 2.570 2.538 2.482 2.579 0.009 18 0 "[ . 1 . 2]" 1
162 1 45 ILE HA 1 48 THR H 3.880 . 3.880 3.488 3.348 3.675 . 0 0 "[ . 1 . 2]" 1
163 1 47 ALA H 1 47 ALA HA 2.930 . 2.930 2.800 2.783 2.826 . 0 0 "[ . 1 . 2]" 1
164 1 47 ALA H 1 48 THR H 2.840 . 2.840 2.731 2.639 2.772 . 0 0 "[ . 1 . 2]" 1
165 1 46 VAL HB 1 47 ALA H 2.710 . 2.710 2.422 2.330 2.559 . 0 0 "[ . 1 . 2]" 1
166 1 46 VAL MG1 1 47 ALA H 3.500 . 3.500 3.232 3.077 3.347 . 0 0 "[ . 1 . 2]" 1
167 1 46 VAL H 1 47 ALA H 3.110 . 3.110 2.830 2.780 2.910 . 0 0 "[ . 1 . 2]" 1
168 1 46 VAL H 1 46 VAL HB 2.660 . 2.660 2.584 2.523 2.621 . 0 0 "[ . 1 . 2]" 1
169 1 46 VAL H 1 46 VAL MG2 2.400 . 2.400 2.130 2.092 2.160 . 0 0 "[ . 1 . 2]" 1
170 1 46 VAL H 1 46 VAL MG1 3.840 . 3.840 3.805 3.787 3.823 . 0 0 "[ . 1 . 2]" 1
171 1 36 VAL MG1 1 37 GLY H 4.310 . 4.310 4.099 3.995 4.207 . 0 0 "[ . 1 . 2]" 1
172 1 46 VAL MG2 1 47 ALA H 4.570 . 4.570 3.785 3.716 3.854 . 0 0 "[ . 1 . 2]" 1
173 1 45 ILE H 1 45 ILE HA 2.920 . 2.920 2.846 2.830 2.856 . 0 0 "[ . 1 . 2]" 1
174 1 45 ILE H 1 46 VAL H 2.680 . 2.680 2.491 2.443 2.592 . 0 0 "[ . 1 . 2]" 1
175 1 37 GLY HA2 1 38 GLY H 3.340 . 3.340 2.934 2.311 3.450 0.110 13 0 "[ . 1 . 2]" 1
176 1 50 LYS H 1 50 LYS HA 2.840 . 2.840 2.802 2.778 2.819 . 0 0 "[ . 1 . 2]" 1
177 1 50 LYS H 1 51 SER H 2.830 . 2.830 2.669 2.590 2.813 . 0 0 "[ . 1 . 2]" 1
178 1 51 SER H 1 52 LEU H 2.830 . 2.830 2.493 2.440 2.558 . 0 0 "[ . 1 . 2]" 1
179 1 52 LEU H 1 53 ILE H 3.350 . 3.350 2.700 2.637 2.800 . 0 0 "[ . 1 . 2]" 1
180 1 51 SER QB 1 52 LEU H 3.020 . 3.020 2.602 2.482 2.734 . 0 0 "[ . 1 . 2]" 1
181 1 52 LEU H 1 52 LEU HB2 2.780 . 2.780 2.614 2.566 2.666 . 0 0 "[ . 1 . 2]" 1
182 1 52 LEU H 1 52 LEU HG 2.440 . 2.440 2.133 2.027 2.203 . 0 0 "[ . 1 . 2]" 1
183 1 52 LEU H 1 52 LEU HB3 3.630 . 3.630 3.583 3.564 3.598 . 0 0 "[ . 1 . 2]" 1
184 1 52 LEU H 1 52 LEU MD1 3.490 . 3.490 3.512 3.489 3.529 0.039 9 0 "[ . 1 . 2]" 1
185 1 50 LYS H 1 52 LEU MD1 5.500 . 5.500 5.223 5.145 5.305 . 0 0 "[ . 1 . 2]" 1
186 1 52 LEU HB2 1 53 ILE H 3.460 . 3.460 2.678 2.595 2.867 . 0 0 "[ . 1 . 2]" 1
187 1 52 LEU HB3 1 53 ILE H 4.150 . 4.150 3.776 3.716 3.905 . 0 0 "[ . 1 . 2]" 1
188 1 52 LEU HG 1 53 ILE H 4.460 . 4.460 4.260 4.153 4.377 . 0 0 "[ . 1 . 2]" 1
189 1 53 ILE H 1 54 LYS H 2.740 . 2.740 2.551 2.480 2.632 . 0 0 "[ . 1 . 2]" 1
190 1 50 LYS H 1 51 SER QB 4.970 . 4.970 4.609 4.372 4.794 . 0 0 "[ . 1 . 2]" 1
191 1 51 SER QB 1 53 ILE H 5.280 . 5.280 4.786 4.698 4.877 . 0 0 "[ . 1 . 2]" 1
192 1 53 ILE HA 1 54 LYS H 3.490 . 3.490 3.456 3.393 3.507 0.017 7 0 "[ . 1 . 2]" 1
193 1 54 LYS H 1 54 LYS QB 2.400 . 2.400 2.252 2.178 2.402 0.002 10 0 "[ . 1 . 2]" 1
194 1 54 LYS H 1 54 LYS QD 4.690 . 4.690 4.305 3.686 4.705 0.015 18 0 "[ . 1 . 2]" 1
195 1 49 ALA MB 1 64 TRP HE3 4.070 . 4.070 3.735 3.574 3.873 . 0 0 "[ . 1 . 2]" 1
196 1 54 LYS H 1 54 LYS HA 2.920 . 2.920 2.834 2.819 2.863 . 0 0 "[ . 1 . 2]" 1
197 1 54 LYS H 1 55 LYS H 2.550 . 2.550 2.551 2.445 2.595 0.045 1 0 "[ . 1 . 2]" 1
198 1 55 LYS H 1 55 LYS HB3 3.380 . 3.380 3.221 3.131 3.317 . 0 0 "[ . 1 . 2]" 1
199 1 55 LYS H 1 55 LYS HG3 4.230 . 4.230 2.830 2.723 2.949 . 0 0 "[ . 1 . 2]" 1
200 1 55 LYS HG2 1 56 TYR H 3.580 . 3.580 2.908 2.684 3.056 . 0 0 "[ . 1 . 2]" 1
201 1 55 LYS HG3 1 56 TYR H 4.620 . 4.620 2.022 1.958 2.098 . 0 0 "[ . 1 . 2]" 1
202 1 55 LYS HB3 1 56 TYR H 4.360 . 4.360 3.967 3.920 4.001 . 0 0 "[ . 1 . 2]" 1
203 1 53 ILE HA 1 56 TYR H 4.040 . 4.040 4.007 3.829 4.070 0.030 11 0 "[ . 1 . 2]" 1
204 1 55 LYS H 1 56 TYR H 2.560 . 2.560 2.477 2.410 2.563 0.003 1 0 "[ . 1 . 2]" 1
205 1 55 LYS H 1 56 TYR QD 4.820 . 4.820 4.851 4.828 4.889 0.069 13 0 "[ . 1 . 2]" 1
206 1 56 TYR H 1 56 TYR QD 3.120 . 3.120 3.164 3.147 3.192 0.072 11 0 "[ . 1 . 2]" 1
207 1 60 TYR HB2 1 61 ALA H 3.990 . 3.990 3.788 3.743 3.823 . 0 0 "[ . 1 . 2]" 1
208 1 10 TYR QE 1 14 LYS QE 3.570 . 3.570 3.147 1.990 3.657 0.087 20 0 "[ . 1 . 2]" 1
209 1 1 LEU HG 1 64 TRP HZ3 3.880 . 3.880 3.712 3.603 3.790 . 0 0 "[ . 1 . 2]" 1
210 1 56 TYR QD 1 60 TYR HB3 4.200 . 4.200 3.951 3.848 4.048 . 0 0 "[ . 1 . 2]" 1
211 1 60 TYR QE 1 64 TRP HB3 3.820 . 3.820 3.862 3.838 3.895 0.075 5 0 "[ . 1 . 2]" 1
212 1 60 TYR QD 1 64 TRP HB3 3.990 . 3.990 3.882 3.822 3.952 . 0 0 "[ . 1 . 2]" 1
213 1 30 ALA H 1 30 ALA MB 2.400 . 2.400 2.230 2.208 2.250 . 0 0 "[ . 1 . 2]" 1
214 1 31 LEU H 1 31 LEU QD 3.430 . 3.430 3.139 3.050 3.211 . 0 0 "[ . 1 . 2]" 1
215 1 28 ILE HA 1 31 LEU H 3.340 . 3.340 3.403 3.363 3.430 0.090 14 0 "[ . 1 . 2]" 1
216 1 30 ALA H 1 31 LEU H 2.560 . 2.560 2.604 2.577 2.615 0.055 13 0 "[ . 1 . 2]" 1
217 1 32 VAL H 1 32 VAL MG2 2.590 . 2.590 1.981 1.946 2.009 . 0 0 "[ . 1 . 2]" 1
218 1 32 VAL MG1 1 33 THR H 3.950 . 3.950 3.715 3.656 3.852 . 0 0 "[ . 1 . 2]" 1
219 1 32 VAL HB 1 33 THR H 2.790 . 2.790 2.659 2.589 2.769 . 0 0 "[ . 1 . 2]" 1
220 1 29 ILE H 1 29 ILE HA 2.760 . 2.760 2.761 2.733 2.775 0.015 3 0 "[ . 1 . 2]" 1
221 1 29 ILE HA 1 30 ALA H 3.560 . 3.560 3.537 3.522 3.548 . 0 0 "[ . 1 . 2]" 1
222 1 28 ILE HA 1 30 ALA H 4.520 . 4.520 4.350 4.268 4.503 . 0 0 "[ . 1 . 2]" 1
223 1 29 ILE H 1 30 ALA H 3.070 . 3.070 2.829 2.757 3.009 . 0 0 "[ . 1 . 2]" 1
224 1 44 GLY H 1 45 ILE H 3.210 . 3.210 2.648 2.578 2.730 . 0 0 "[ . 1 . 2]" 1
225 1 28 ILE H 1 29 ILE H 2.660 . 2.660 2.689 2.663 2.731 0.071 3 0 "[ . 1 . 2]" 1
226 1 29 ILE HA 1 32 VAL H 4.010 . 4.010 3.665 3.578 3.732 . 0 0 "[ . 1 . 2]" 1
227 1 28 ILE HA 1 32 VAL H 4.480 . 4.480 3.873 3.826 3.920 . 0 0 "[ . 1 . 2]" 1
228 1 28 ILE H 1 28 ILE HB 2.550 . 2.550 2.454 2.391 2.544 . 0 0 "[ . 1 . 2]" 1
229 1 28 ILE HB 1 29 ILE H 2.700 . 2.700 2.434 2.255 2.540 . 0 0 "[ . 1 . 2]" 1
230 1 28 ILE H 1 28 ILE QG 2.550 . 2.550 2.021 1.925 2.092 . 0 0 "[ . 1 . 2]" 1
231 1 29 ILE HB 1 30 ALA H 2.740 . 2.740 2.540 2.438 2.658 . 0 0 "[ . 1 . 2]" 1
232 1 29 ILE H 1 29 ILE HB 2.700 . 2.700 2.608 2.541 2.672 . 0 0 "[ . 1 . 2]" 1
233 1 27 THR HB 1 28 ILE H 3.060 . 3.060 2.614 2.447 2.815 . 0 0 "[ . 1 . 2]" 1
234 1 25 VAL HA 1 28 ILE H 3.700 . 3.700 3.372 3.267 3.535 . 0 0 "[ . 1 . 2]" 1
235 1 27 THR H 1 27 THR HB 2.550 . 2.550 2.478 2.419 2.568 0.018 19 0 "[ . 1 . 2]" 1
236 1 25 VAL HA 1 27 THR H 4.100 . 4.100 4.148 4.127 4.170 0.070 16 0 "[ . 1 . 2]" 1
237 1 27 THR H 1 27 THR MG 3.860 . 3.860 3.735 3.706 3.772 . 0 0 "[ . 1 . 2]" 1
238 1 27 THR H 1 28 ILE H 2.550 . 2.550 2.473 2.424 2.530 . 0 0 "[ . 1 . 2]" 1
239 1 27 THR H 1 29 ILE H 4.410 . 4.410 4.086 3.985 4.232 . 0 0 "[ . 1 . 2]" 1
240 1 26 ALA H 1 26 ALA MB 2.400 . 2.400 2.239 2.221 2.269 . 0 0 "[ . 1 . 2]" 1
241 1 26 ALA HA 1 27 THR H 3.480 . 3.480 3.490 3.481 3.497 0.017 9 0 "[ . 1 . 2]" 1
242 1 35 VAL HB 1 36 VAL H 2.700 . 2.700 2.572 2.378 2.709 0.009 11 0 "[ . 1 . 2]" 1
243 1 35 VAL QG 1 36 VAL H 3.270 . 3.270 3.120 3.035 3.272 0.002 11 0 "[ . 1 . 2]" 1
244 1 36 VAL H 1 36 VAL MG2 2.400 . 2.400 2.194 2.115 2.307 . 0 0 "[ . 1 . 2]" 1
245 1 35 VAL H 1 35 VAL QG 2.550 . 2.550 2.392 2.276 2.474 . 0 0 "[ . 1 . 2]" 1
246 1 35 VAL H 1 35 VAL HB 2.550 . 2.550 2.450 2.364 2.506 . 0 0 "[ . 1 . 2]" 1
247 1 35 VAL H 1 36 VAL H 2.400 . 2.400 2.448 2.418 2.469 0.069 15 0 "[ . 1 . 2]" 1
248 1 34 ALA H 1 34 ALA MB 2.400 . 2.400 2.245 2.223 2.266 . 0 0 "[ . 1 . 2]" 1
249 1 34 ALA H 1 35 VAL H 2.570 . 2.570 2.495 2.424 2.544 . 0 0 "[ . 1 . 2]" 1
250 1 32 VAL HA 1 35 VAL H 3.580 . 3.580 3.339 3.247 3.412 . 0 0 "[ . 1 . 2]" 1
251 1 33 THR HB 1 34 ALA H 3.240 . 3.240 2.924 2.810 3.127 . 0 0 "[ . 1 . 2]" 1
252 1 33 THR MG 1 34 ALA H 4.060 . 4.060 3.693 3.558 3.876 . 0 0 "[ . 1 . 2]" 1
253 1 36 VAL HB 1 37 GLY H 4.210 . 4.210 4.145 4.034 4.248 0.038 19 0 "[ . 1 . 2]" 1
254 1 37 GLY H 1 37 GLY HA3 2.900 . 2.900 2.887 2.802 2.937 0.037 9 0 "[ . 1 . 2]" 1
255 1 37 GLY H 1 37 GLY HA2 2.900 . 2.900 2.358 2.269 2.516 . 0 0 "[ . 1 . 2]" 1
256 1 37 GLY HA3 1 38 GLY H 3.340 . 3.340 2.764 2.468 3.436 0.096 11 0 "[ . 1 . 2]" 1
257 1 11 ALA HA 1 15 VAL H 3.900 . 3.900 3.952 3.933 3.970 0.070 8 0 "[ . 1 . 2]" 1
258 1 45 ILE H 1 45 ILE HB 2.550 . 2.550 2.504 2.473 2.541 . 0 0 "[ . 1 . 2]" 1
259 1 45 ILE H 1 45 ILE MD 3.440 . 3.440 3.302 3.218 3.442 0.002 4 0 "[ . 1 . 2]" 1
260 1 42 THR HB 1 45 ILE H 4.350 . 4.350 3.908 3.687 4.057 . 0 0 "[ . 1 . 2]" 1
261 1 42 THR H 1 42 THR HB 3.810 . 3.810 3.508 3.437 3.566 . 0 0 "[ . 1 . 2]" 1
262 1 42 THR H 1 45 ILE H 3.080 . 3.080 3.113 3.083 3.171 0.091 6 0 "[ . 1 . 2]" 1
263 1 21 THR H 1 21 THR HB 3.780 . 3.780 3.623 3.586 3.686 . 0 0 "[ . 1 . 2]" 1
264 1 21 THR HB 1 22 GLY H 3.500 . 3.500 3.487 3.358 3.541 0.041 19 0 "[ . 1 . 2]" 1
265 1 39 GLY H 1 40 LEU H 2.650 . 2.650 2.675 2.614 2.716 0.066 11 0 "[ . 1 . 2]" 1
266 1 10 TYR H 1 10 TYR HA 2.870 . 2.870 2.814 2.792 2.839 . 0 0 "[ . 1 . 2]" 1
267 1 10 TYR H 1 10 TYR HB2 2.400 . 2.400 2.400 2.294 2.430 0.030 17 0 "[ . 1 . 2]" 1
268 1 10 TYR H 1 10 TYR HB3 2.850 . 2.850 2.597 2.493 2.682 . 0 0 "[ . 1 . 2]" 1
269 1 10 TYR H 1 10 TYR QD 4.210 . 4.210 4.192 4.130 4.220 0.010 17 0 "[ . 1 . 2]" 1
270 1 10 TYR QD 1 11 ALA H 3.670 . 3.670 3.316 3.010 3.604 . 0 0 "[ . 1 . 2]" 1
271 1 37 GLY H 1 38 GLY H 4.460 . 4.460 3.435 2.424 4.465 0.005 4 0 "[ . 1 . 2]" 1
272 1 13 LYS H 1 15 VAL H 4.260 . 4.260 4.178 4.106 4.264 0.004 7 0 "[ . 1 . 2]" 1
273 1 13 LYS HA 1 16 ILE H 3.700 . 3.700 3.404 3.173 3.637 . 0 0 "[ . 1 . 2]" 1
274 1 9 SER HA 1 12 ALA H 4.020 . 4.020 3.303 2.833 3.579 . 0 0 "[ . 1 . 2]" 1
275 1 26 ALA MB 1 27 THR H 3.020 . 3.020 2.702 2.565 2.829 . 0 0 "[ . 1 . 2]" 1
276 1 26 ALA H 1 27 THR H 2.780 . 2.780 2.700 2.654 2.755 . 0 0 "[ . 1 . 2]" 1
277 1 28 ILE HB 1 46 VAL MG1 5.500 . 5.500 2.441 2.214 2.865 . 0 0 "[ . 1 . 2]" 1
278 1 25 VAL H 1 25 VAL HA 2.930 . 2.930 2.782 2.767 2.799 . 0 0 "[ . 1 . 2]" 1
279 1 25 VAL H 1 25 VAL HB 2.700 . 2.700 2.597 2.512 2.697 . 0 0 "[ . 1 . 2]" 1
280 1 25 VAL H 1 25 VAL MG2 2.400 . 2.400 2.013 1.913 2.086 . 0 0 "[ . 1 . 2]" 1
281 1 25 VAL H 1 25 VAL MG1 3.830 . 3.830 3.783 3.764 3.827 . 0 0 "[ . 1 . 2]" 1
282 1 25 VAL HB 1 26 ALA H 2.510 . 2.510 2.504 2.295 2.551 0.041 12 0 "[ . 1 . 2]" 1
283 1 25 VAL MG1 1 26 ALA H 3.460 . 3.460 3.362 3.266 3.449 . 0 0 "[ . 1 . 2]" 1
284 1 25 VAL MG2 1 26 ALA H 3.870 . 3.870 3.777 3.609 3.834 . 0 0 "[ . 1 . 2]" 1
285 1 24 ALA HA 1 25 VAL H 2.400 . 2.400 2.137 2.092 2.178 . 0 0 "[ . 1 . 2]" 1
286 1 25 VAL H 1 26 ALA H 4.240 . 4.240 2.811 2.738 2.935 . 0 0 "[ . 1 . 2]" 1
287 1 24 ALA H 1 25 VAL H 4.660 . 4.660 4.519 4.398 4.580 . 0 0 "[ . 1 . 2]" 1
288 1 23 SER HB3 1 24 ALA H 2.710 . 2.710 2.803 2.737 2.838 0.128 18 0 "[ . 1 . 2]" 1
289 1 23 SER HB2 1 24 ALA H 3.110 . 3.110 1.919 1.826 2.013 . 0 0 "[ . 1 . 2]" 1
290 1 24 ALA H 1 24 ALA MB 2.400 . 2.400 2.258 2.236 2.299 . 0 0 "[ . 1 . 2]" 1
291 1 24 ALA H 1 27 THR MG 4.100 . 4.100 4.076 4.027 4.124 0.024 3 0 "[ . 1 . 2]" 1
292 1 16 ILE H 1 19 ILE MD 4.780 . 4.780 4.234 4.154 4.306 . 0 0 "[ . 1 . 2]" 1
293 1 24 ALA H 1 28 ILE MD 4.960 . 4.960 4.189 3.779 4.389 . 0 0 "[ . 1 . 2]" 1
294 1 24 ALA MB 1 25 VAL H 3.300 . 3.300 2.949 2.790 3.208 . 0 0 "[ . 1 . 2]" 1
295 1 23 SER H 1 23 SER HB3 3.710 . 3.710 3.591 3.529 3.683 . 0 0 "[ . 1 . 2]" 1
296 1 23 SER H 1 23 SER HB2 2.790 . 2.790 2.359 2.249 2.523 . 0 0 "[ . 1 . 2]" 1
297 1 24 ALA H 1 27 THR HB 3.300 . 3.300 3.307 3.166 3.350 0.050 8 0 "[ . 1 . 2]" 1
298 1 23 SER H 1 24 ALA H 3.100 . 3.100 2.690 2.515 3.040 . 0 0 "[ . 1 . 2]" 1
299 1 22 GLY H 1 22 GLY HA3 2.870 . 2.870 2.353 2.265 2.793 . 0 0 "[ . 1 . 2]" 1
300 1 22 GLY H 1 22 GLY HA2 2.870 . 2.870 2.739 2.271 2.846 . 0 0 "[ . 1 . 2]" 1
301 1 21 THR H 1 22 GLY H 2.880 . 2.880 2.489 2.243 2.806 . 0 0 "[ . 1 . 2]" 1
302 1 21 THR MG 1 22 GLY H 3.920 . 3.920 3.880 3.736 3.933 0.013 20 0 "[ . 1 . 2]" 1
303 1 5 LEU QD 1 40 LEU HA 5.500 . 5.500 3.339 2.665 4.138 . 0 0 "[ . 1 . 2]" 1
304 1 40 LEU H 1 40 LEU MD2 4.010 . 4.010 3.370 2.780 3.737 . 0 0 "[ . 1 . 2]" 1
305 1 40 LEU H 1 40 LEU MD1 4.010 . 4.010 3.661 3.518 3.782 . 0 0 "[ . 1 . 2]" 1
306 1 40 LEU H 1 40 LEU HB2 2.610 . 2.610 2.453 2.360 2.634 0.024 5 0 "[ . 1 . 2]" 1
307 1 40 LEU H 1 40 LEU HG 2.910 . 2.910 2.378 1.930 2.722 . 0 0 "[ . 1 . 2]" 1
308 1 42 THR HB 1 44 GLY H 3.030 . 3.030 2.859 2.660 3.038 0.008 10 0 "[ . 1 . 2]" 1
309 1 42 THR HA 1 44 GLY H 4.570 . 4.570 4.468 4.296 4.583 0.013 10 0 "[ . 1 . 2]" 1
310 1 60 TYR H 1 60 TYR HB2 2.850 . 2.850 2.684 2.639 2.728 . 0 0 "[ . 1 . 2]" 1
311 1 60 TYR H 1 60 TYR HB3 2.400 . 2.400 2.403 2.363 2.423 0.023 3 0 "[ . 1 . 2]" 1
312 1 10 TYR HA 1 10 TYR QE 4.800 . 4.800 4.742 4.658 4.817 0.017 6 0 "[ . 1 . 2]" 1
313 1 60 TYR HA 1 60 TYR QD 3.080 . 3.080 3.068 3.005 3.093 0.013 5 0 "[ . 1 . 2]" 1
314 1 60 TYR H 1 61 ALA H 3.370 . 3.370 2.529 2.486 2.583 . 0 0 "[ . 1 . 2]" 1
315 1 60 TYR H 1 60 TYR QD 4.240 . 4.240 4.149 4.106 4.179 . 0 0 "[ . 1 . 2]" 1
316 1 60 TYR QD 1 61 ALA H 4.200 . 4.200 2.950 2.860 3.042 . 0 0 "[ . 1 . 2]" 1
317 1 29 ILE HA 1 31 LEU H 5.270 . 5.270 4.413 4.338 4.510 . 0 0 "[ . 1 . 2]" 1
318 1 49 ALA H 1 51 SER H 4.650 . 4.650 4.076 3.963 4.170 . 0 0 "[ . 1 . 2]" 1
319 1 4 ASN HD21 1 64 TRP HE1 3.980 . 3.980 3.955 3.834 3.993 0.013 10 0 "[ . 1 . 2]" 1
320 1 4 ASN HD22 1 64 TRP HE1 3.080 . 3.080 3.041 2.920 3.121 0.041 9 0 "[ . 1 . 2]" 1
321 1 42 THR HB 1 43 ALA H 2.400 . 2.400 2.094 1.994 2.198 . 0 0 "[ . 1 . 2]" 1
322 1 42 THR HA 1 43 ALA H 2.700 . 2.700 2.612 2.522 2.692 . 0 0 "[ . 1 . 2]" 1
323 1 43 ALA H 1 43 ALA HA 2.820 . 2.820 2.781 2.748 2.813 . 0 0 "[ . 1 . 2]" 1
324 1 43 ALA H 1 43 ALA MB 2.400 . 2.400 2.229 2.207 2.250 . 0 0 "[ . 1 . 2]" 1
325 1 42 THR MG 1 43 ALA H 3.540 . 3.540 3.510 3.368 3.575 0.035 7 0 "[ . 1 . 2]" 1
326 1 29 ILE MD 1 43 ALA H 3.330 . 3.330 2.878 2.627 3.195 . 0 0 "[ . 1 . 2]" 1
327 1 43 ALA HA 1 46 VAL H 3.800 . 3.800 3.477 3.302 3.624 . 0 0 "[ . 1 . 2]" 1
328 1 43 ALA H 1 44 GLY H 3.010 . 3.010 2.705 2.555 2.811 . 0 0 "[ . 1 . 2]" 1
329 1 44 GLY H 1 44 GLY QA 2.400 . 2.400 2.187 2.169 2.199 . 0 0 "[ . 1 . 2]" 1
330 1 43 ALA MB 1 44 GLY H 2.850 . 2.850 2.568 2.485 2.690 . 0 0 "[ . 1 . 2]" 1
331 1 43 ALA HA 1 45 ILE H 4.660 . 4.660 4.292 4.161 4.462 . 0 0 "[ . 1 . 2]" 1
332 1 44 GLY QA 1 45 ILE H 2.790 . 2.790 2.754 2.701 2.809 0.019 16 0 "[ . 1 . 2]" 1
333 1 8 SER HB2 1 9 SER H 2.840 . 2.840 2.623 2.429 2.841 0.001 6 0 "[ . 1 . 2]" 1
334 1 9 SER H 1 9 SER QB 2.400 . 2.400 2.329 2.212 2.423 0.023 3 0 "[ . 1 . 2]" 1
335 1 9 SER H 1 10 TYR H 2.720 . 2.720 2.473 2.346 2.593 . 0 0 "[ . 1 . 2]" 1
336 1 8 SER H 1 9 SER H 5.500 . 5.500 4.564 4.532 4.595 . 0 0 "[ . 1 . 2]" 1
337 1 9 SER QB 1 10 TYR H 3.080 . 3.080 2.848 2.673 3.084 0.004 19 0 "[ . 1 . 2]" 1
338 1 52 LEU MD1 1 64 TRP HE1 3.560 . 3.560 3.557 3.461 3.597 0.037 17 0 "[ . 1 . 2]" 1
339 1 48 THR MG 1 64 TRP HE1 4.010 . 4.010 3.933 3.785 4.035 0.025 14 0 "[ . 1 . 2]" 1
340 1 52 LEU MD2 1 64 TRP HE1 4.340 . 4.340 4.352 4.305 4.388 0.048 2 0 "[ . 1 . 2]" 1
341 1 4 ASN HB2 1 64 TRP HE1 5.200 . 5.200 5.057 4.920 5.201 0.001 20 0 "[ . 1 . 2]" 1
342 1 41 ILE HA 1 42 THR H 2.460 . 2.460 2.078 2.050 2.127 . 0 0 "[ . 1 . 2]" 1
343 1 53 ILE H 1 53 ILE MG 3.260 . 3.260 2.236 2.173 2.301 . 0 0 "[ . 1 . 2]" 1
344 1 15 VAL HA 1 18 ILE HG13 5.500 . 5.500 3.603 3.313 3.807 . 0 0 "[ . 1 . 2]" 1
345 1 29 ILE H 1 46 VAL MG2 3.540 . 3.540 3.217 3.020 3.465 . 0 0 "[ . 1 . 2]" 1
346 1 29 ILE H 1 29 ILE MD 3.270 . 3.270 3.340 3.199 3.368 0.098 1 0 "[ . 1 . 2]" 1
347 1 57 GLY H 1 58 ALA H 4.780 . 4.780 4.292 4.230 4.349 . 0 0 "[ . 1 . 2]" 1
348 1 57 GLY HA3 1 58 ALA H 2.970 . 2.970 2.633 2.545 2.775 . 0 0 "[ . 1 . 2]" 1
349 1 58 ALA H 1 58 ALA HA 2.860 . 2.860 2.811 2.757 2.834 . 0 0 "[ . 1 . 2]" 1
350 1 57 GLY HA2 1 58 ALA H 2.400 . 2.400 2.356 2.309 2.405 0.005 10 0 "[ . 1 . 2]" 1
351 1 53 ILE HA 1 58 ALA H 3.680 . 3.680 3.688 3.601 3.725 0.045 13 0 "[ . 1 . 2]" 1
352 1 57 GLY HA3 1 59 LYS H 3.600 . 3.600 3.451 3.218 3.627 0.027 1 0 "[ . 1 . 2]" 1
353 1 58 ALA HA 1 59 LYS H 3.460 . 3.460 3.476 3.443 3.504 0.044 1 0 "[ . 1 . 2]" 1
354 1 59 LYS H 1 59 LYS HB3 3.170 . 3.170 2.524 2.357 2.647 . 0 0 "[ . 1 . 2]" 1
355 1 59 LYS H 1 59 LYS QD 4.600 . 4.600 4.421 4.199 4.637 0.037 1 0 "[ . 1 . 2]" 1
356 1 58 ALA H 1 58 ALA MB 2.400 . 2.400 2.216 2.175 2.262 . 0 0 "[ . 1 . 2]" 1
357 1 58 ALA MB 1 59 LYS H 3.120 . 3.120 2.657 2.440 2.851 . 0 0 "[ . 1 . 2]" 1
358 1 16 ILE H 1 16 ILE HB 2.700 . 2.700 2.528 2.448 2.593 . 0 0 "[ . 1 . 2]" 1
359 1 41 ILE H 1 41 ILE QG 3.180 . 3.180 2.967 2.150 3.260 0.080 15 0 "[ . 1 . 2]" 1
360 1 41 ILE H 1 41 ILE MD 3.170 . 3.170 2.241 1.865 3.203 0.033 14 0 "[ . 1 . 2]" 1
361 1 49 ALA H 1 52 LEU MD1 4.610 . 4.610 4.021 3.930 4.109 . 0 0 "[ . 1 . 2]" 1
362 1 52 LEU MD1 1 64 TRP HZ2 3.940 . 3.940 3.778 3.669 3.859 . 0 0 "[ . 1 . 2]" 1
363 1 52 LEU MD1 1 64 TRP HE3 3.400 . 3.400 3.161 3.077 3.236 . 0 0 "[ . 1 . 2]" 1
364 1 52 LEU MD1 1 64 TRP HH2 5.040 . 5.040 4.169 4.048 4.250 . 0 0 "[ . 1 . 2]" 1
365 1 52 LEU MD1 1 64 TRP HZ3 4.190 . 4.190 3.839 3.726 3.917 . 0 0 "[ . 1 . 2]" 1
366 1 52 LEU MD1 1 56 TYR QD 4.070 . 4.070 3.814 3.713 3.894 . 0 0 "[ . 1 . 2]" 1
367 1 52 LEU MD1 1 60 TYR QD 3.550 . 3.550 2.970 2.848 3.084 . 0 0 "[ . 1 . 2]" 1
368 1 52 LEU MD1 1 56 TYR QE 4.420 . 4.420 4.299 4.168 4.383 . 0 0 "[ . 1 . 2]" 1
369 1 52 LEU MD1 1 60 TYR QE 2.820 . 2.820 2.087 2.014 2.215 . 0 0 "[ . 1 . 2]" 1
370 1 55 LYS HG3 1 56 TYR QD 3.700 . 3.700 3.021 2.913 3.090 . 0 0 "[ . 1 . 2]" 1
371 1 55 LYS HG3 1 56 TYR QE 4.180 . 4.180 3.402 3.330 3.452 . 0 0 "[ . 1 . 2]" 1
372 1 52 LEU H 1 52 LEU MD2 3.410 . 3.410 3.237 3.034 3.363 . 0 0 "[ . 1 . 2]" 1
373 1 52 LEU MD2 1 56 TYR QD 2.550 . 2.550 2.370 2.283 2.445 . 0 0 "[ . 1 . 2]" 1
374 1 52 LEU MD2 1 60 TYR QE 2.550 . 2.550 2.065 1.997 2.156 . 0 0 "[ . 1 . 2]" 1
375 1 52 LEU HB3 1 60 TYR QD 2.550 . 2.550 2.225 2.136 2.292 . 0 0 "[ . 1 . 2]" 1
376 1 42 THR H 1 42 THR MG 3.310 . 3.310 2.546 2.392 2.678 . 0 0 "[ . 1 . 2]" 1
377 1 52 LEU HB3 1 60 TYR QE 3.430 . 3.430 2.739 2.691 2.790 . 0 0 "[ . 1 . 2]" 1
378 1 52 LEU HB2 1 60 TYR QD 3.430 . 3.430 3.392 3.322 3.444 0.014 17 0 "[ . 1 . 2]" 1
379 1 56 TYR HB3 1 60 TYR QD 2.940 . 2.940 3.003 2.966 3.033 0.093 13 0 "[ . 1 . 2]" 1
380 1 56 TYR HB2 1 60 TYR QD 2.900 . 2.900 2.966 2.944 3.000 0.100 2 0 "[ . 1 . 2]" 1
381 1 56 TYR HB3 1 60 TYR QE 4.180 . 4.180 4.147 4.063 4.222 0.042 2 0 "[ . 1 . 2]" 1
382 1 56 TYR HB2 1 60 TYR QE 4.380 . 4.380 4.168 4.115 4.255 . 0 0 "[ . 1 . 2]" 1
383 1 52 LEU HA 1 56 TYR QD 3.030 . 3.030 2.821 2.630 2.909 . 0 0 "[ . 1 . 2]" 1
384 1 52 LEU HA 1 56 TYR QE 3.540 . 3.540 3.560 3.416 3.596 0.056 1 0 "[ . 1 . 2]" 1
385 1 52 LEU HB2 1 56 TYR QD 4.130 . 4.130 4.144 4.094 4.166 0.036 19 0 "[ . 1 . 2]" 1
386 1 52 LEU HG 1 56 TYR QD 4.710 . 4.710 4.673 4.612 4.724 0.014 12 0 "[ . 1 . 2]" 1
387 1 52 LEU MD2 1 60 TYR QD 3.700 . 3.700 3.479 3.389 3.543 . 0 0 "[ . 1 . 2]" 1
388 1 52 LEU MD2 1 56 TYR QE 2.400 . 2.400 2.098 1.988 2.179 . 0 0 "[ . 1 . 2]" 1
389 1 4 ASN HA 1 4 ASN HD21 4.430 . 4.430 3.698 3.613 3.787 . 0 0 "[ . 1 . 2]" 1
390 1 4 ASN HD22 1 64 TRP HA 3.670 . 3.670 3.574 3.385 3.681 0.011 6 0 "[ . 1 . 2]" 1
391 1 4 ASN HD21 1 64 TRP HA 3.180 . 3.180 2.955 2.835 3.033 . 0 0 "[ . 1 . 2]" 1
392 1 4 ASN HB3 1 4 ASN HD22 4.090 . 4.090 4.045 4.021 4.057 . 0 0 "[ . 1 . 2]" 1
393 1 4 ASN HB2 1 4 ASN HD22 3.560 . 3.560 3.474 3.459 3.495 . 0 0 "[ . 1 . 2]" 1
394 1 3 ALA MB 1 4 ASN HD22 3.520 . 3.520 3.343 3.207 3.508 . 0 0 "[ . 1 . 2]" 1
395 1 3 ALA MB 1 4 ASN HD21 2.930 . 2.930 2.783 2.651 2.881 . 0 0 "[ . 1 . 2]" 1
396 1 4 ASN HB2 1 4 ASN HD21 2.490 . 2.490 2.241 2.209 2.281 . 0 0 "[ . 1 . 2]" 1
397 1 48 THR MG 1 52 LEU H 4.680 . 4.680 3.945 3.881 4.030 . 0 0 "[ . 1 . 2]" 1
398 1 1 LEU HB2 1 2 THR H 2.670 . 2.670 2.307 2.235 2.365 . 0 0 "[ . 1 . 2]" 1
399 1 1 LEU HG 1 2 THR H 5.180 . 5.180 4.355 4.298 4.407 . 0 0 "[ . 1 . 2]" 1
400 1 4 ASN HD21 1 64 TRP HZ2 5.020 . 5.020 4.878 4.808 5.010 . 0 0 "[ . 1 . 2]" 1
401 1 4 ASN HD22 1 64 TRP HZ2 5.220 . 5.220 4.712 4.515 4.908 . 0 0 "[ . 1 . 2]" 1
402 1 4 ASN HD21 1 64 TRP HD1 3.810 . 3.810 3.670 3.496 3.742 . 0 0 "[ . 1 . 2]" 1
403 1 48 THR MG 1 64 TRP HZ2 2.880 . 2.880 2.528 2.376 2.641 . 0 0 "[ . 1 . 2]" 1
404 1 48 THR MG 1 64 TRP HH2 3.140 . 3.140 3.049 2.873 3.154 0.014 11 0 "[ . 1 . 2]" 1
405 1 48 THR MG 1 64 TRP HZ3 4.180 . 4.180 4.134 4.049 4.199 0.019 1 0 "[ . 1 . 2]" 1
406 1 48 THR MG 1 64 TRP HE3 4.750 . 4.750 4.759 4.703 4.795 0.045 14 0 "[ . 1 . 2]" 1
407 1 5 LEU QD 1 64 TRP HE3 4.380 . 4.380 4.328 4.223 4.396 0.016 11 0 "[ . 1 . 2]" 1
408 1 5 LEU QD 1 64 TRP HH2 4.340 . 4.340 4.198 4.067 4.277 . 0 0 "[ . 1 . 2]" 1
409 1 5 LEU QD 1 64 TRP HZ3 3.610 . 3.610 3.553 3.437 3.627 0.017 7 0 "[ . 1 . 2]" 1
410 1 45 ILE MD 1 64 TRP HZ2 3.970 . 3.970 3.736 3.544 3.857 . 0 0 "[ . 1 . 2]" 1
411 1 45 ILE MD 1 64 TRP HH2 2.880 . 2.880 2.207 2.056 2.292 . 0 0 "[ . 1 . 2]" 1
412 1 1 LEU QD 1 64 TRP HZ3 2.400 . 2.400 1.942 1.923 1.967 . 0 0 "[ . 1 . 2]" 1
413 1 1 LEU QD 1 64 TRP HE3 2.700 . 2.700 2.342 2.272 2.425 . 0 0 "[ . 1 . 2]" 1
414 1 1 LEU QD 1 64 TRP HH2 3.910 . 3.910 3.924 3.871 3.941 0.031 9 0 "[ . 1 . 2]" 1
415 1 49 ALA MB 1 64 TRP HZ3 3.170 . 3.170 2.908 2.668 3.012 . 0 0 "[ . 1 . 2]" 1
416 1 64 TRP HB3 1 64 TRP HE3 2.630 . 2.630 2.616 2.591 2.639 0.009 16 0 "[ . 1 . 2]" 1
417 1 1 LEU HA 1 64 TRP HE3 2.550 . 2.550 2.589 2.571 2.610 0.060 10 0 "[ . 1 . 2]" 1
418 1 64 TRP HA 1 64 TRP HD1 3.200 . 3.200 3.219 3.200 3.236 0.036 7 0 "[ . 1 . 2]" 1
419 1 61 ALA HA 1 64 TRP HE3 3.700 . 3.700 3.716 3.665 3.738 0.038 5 0 "[ . 1 . 2]" 1
420 1 32 VAL HA 1 34 ALA H 4.110 . 4.110 4.106 3.960 4.155 0.045 12 0 "[ . 1 . 2]" 1
421 1 45 ILE HA 1 64 TRP HH2 3.160 . 3.160 2.879 2.568 3.139 . 0 0 "[ . 1 . 2]" 1
422 1 45 ILE HA 1 64 TRP HZ3 4.610 . 4.610 3.949 3.698 4.160 . 0 0 "[ . 1 . 2]" 1
423 1 1 LEU HA 1 64 TRP HZ3 3.460 . 3.460 3.408 3.353 3.470 0.010 14 0 "[ . 1 . 2]" 1
424 1 55 LYS HD3 1 56 TYR QD 4.160 . 4.160 4.007 3.932 4.140 . 0 0 "[ . 1 . 2]" 1
425 1 52 LEU HB3 1 56 TYR QD 2.880 . 2.880 2.460 2.432 2.489 . 0 0 "[ . 1 . 2]" 1
426 1 55 LYS HB2 1 56 TYR QD 3.160 . 3.160 3.211 3.161 3.242 0.082 13 0 "[ . 1 . 2]" 1
427 1 55 LYS HD2 1 56 TYR QD 4.160 . 4.160 4.019 3.888 4.078 . 0 0 "[ . 1 . 2]" 1
428 1 60 TYR QD 1 61 ALA MB 3.520 . 3.520 3.022 2.895 3.123 . 0 0 "[ . 1 . 2]" 1
429 1 10 TYR QE 1 14 LYS QD 3.410 . 3.410 2.552 1.882 3.474 0.064 3 0 "[ . 1 . 2]" 1
430 1 55 LYS HB2 1 56 TYR QE 3.340 . 3.340 3.415 3.358 3.444 0.104 18 0 "[ . 1 . 2]" 1
431 1 55 LYS HD2 1 56 TYR QE 3.280 . 3.280 3.066 2.938 3.196 . 0 0 "[ . 1 . 2]" 1
432 1 55 LYS H 1 55 LYS HG2 2.490 . 2.490 1.932 1.831 2.103 . 0 0 "[ . 1 . 2]" 1
433 1 55 LYS HB2 1 56 TYR H 3.030 . 3.030 3.089 3.067 3.113 0.083 5 0 "[ . 1 . 2]" 1
434 1 55 LYS HD3 1 56 TYR QE 3.280 . 3.280 3.032 2.929 3.176 . 0 0 "[ . 1 . 2]" 1
435 1 1 LEU QD 1 2 THR H 4.070 . 4.070 3.879 3.829 3.925 . 0 0 "[ . 1 . 2]" 1
436 1 1 LEU HB3 1 2 THR H 3.310 . 3.310 3.233 3.159 3.298 . 0 0 "[ . 1 . 2]" 1
437 1 5 LEU HB3 1 6 GLY H 4.130 . 4.130 3.914 3.860 3.961 . 0 0 "[ . 1 . 2]" 1
438 1 2 THR MG 1 6 GLY H 4.920 . 4.920 4.218 4.096 4.292 . 0 0 "[ . 1 . 2]" 1
439 1 5 LEU QD 1 6 GLY H 4.180 . 4.180 4.080 4.032 4.145 . 0 0 "[ . 1 . 2]" 1
440 1 15 VAL MG1 1 19 ILE MD 5.500 . 5.500 2.565 2.418 2.668 . 0 0 "[ . 1 . 2]" 1
441 1 15 VAL MG1 1 41 ILE MG 5.500 . 5.500 2.566 2.304 2.801 . 0 0 "[ . 1 . 2]" 1
442 1 18 ILE MD 1 41 ILE MG 5.500 . 5.500 5.311 5.113 5.501 0.001 10 0 "[ . 1 . 2]" 1
443 1 1 LEU QD 1 5 LEU QD 5.500 . 5.500 2.026 1.921 2.169 . 0 0 "[ . 1 . 2]" 1
444 1 16 ILE HB 1 17 ASP H 2.930 . 2.930 2.498 2.396 2.606 . 0 0 "[ . 1 . 2]" 1
445 1 16 ILE H 1 16 ILE HG12 2.400 . 2.400 2.182 2.155 2.214 . 0 0 "[ . 1 . 2]" 1
446 1 16 ILE H 1 16 ILE MD 3.580 . 3.580 3.259 3.171 3.337 . 0 0 "[ . 1 . 2]" 1
447 1 16 ILE MD 1 62 ALA H 3.800 . 3.800 2.641 2.511 2.782 . 0 0 "[ . 1 . 2]" 1
448 1 16 ILE H 1 16 ILE HG13 3.610 . 3.610 3.642 3.634 3.658 0.048 20 0 "[ . 1 . 2]" 1
449 1 17 ASP H 1 18 ILE HG13 4.630 . 4.630 4.164 4.042 4.316 . 0 0 "[ . 1 . 2]" 1
450 1 16 ILE MD 1 17 ASP H 5.150 . 5.150 4.636 4.602 4.691 . 0 0 "[ . 1 . 2]" 1
451 1 29 ILE MD 1 46 VAL H 5.500 . 5.500 4.837 3.652 5.166 . 0 0 "[ . 1 . 2]" 1
452 1 18 ILE H 1 18 ILE HG13 3.050 . 3.050 2.063 1.937 2.214 . 0 0 "[ . 1 . 2]" 1
453 1 49 ALA HA 1 52 LEU MD2 5.500 . 5.500 4.417 4.303 4.524 . 0 0 "[ . 1 . 2]" 1
454 1 7 ILE MD 1 15 VAL MG2 5.500 . 5.500 2.649 2.442 2.935 . 0 0 "[ . 1 . 2]" 1
455 1 27 THR MG 1 28 ILE H 3.840 . 3.840 3.578 3.480 3.697 . 0 0 "[ . 1 . 2]" 1
456 1 24 ALA MB 1 27 THR H 2.540 . 2.540 2.572 2.546 2.592 0.052 3 0 "[ . 1 . 2]" 1
457 1 1 LEU QD 1 15 VAL MG1 5.500 . 5.500 2.043 1.961 2.215 . 0 0 "[ . 1 . 2]" 1
458 1 18 ILE MG 1 28 ILE MG 5.500 . 5.500 2.009 1.896 2.175 . 0 0 "[ . 1 . 2]" 1
459 1 19 ILE MD 1 50 LYS H 3.810 . 3.810 3.469 2.874 3.821 0.011 4 0 "[ . 1 . 2]" 1
460 1 20 ASN HD22 1 58 ALA MB 3.540 . 3.540 3.575 3.538 3.611 0.071 2 0 "[ . 1 . 2]" 1
461 1 24 ALA MB 1 26 ALA H 3.440 . 3.440 3.159 2.938 3.414 . 0 0 "[ . 1 . 2]" 1
462 1 24 ALA HA 1 26 ALA H 4.690 . 4.690 4.237 4.136 4.444 . 0 0 "[ . 1 . 2]" 1
463 1 26 ALA MB 1 29 ILE H 5.160 . 5.160 4.753 4.658 4.942 . 0 0 "[ . 1 . 2]" 1
464 1 46 VAL HA 1 48 THR H 5.500 . 5.500 4.606 4.455 4.724 . 0 0 "[ . 1 . 2]" 1
465 1 46 VAL HA 1 50 LYS H 4.150 . 4.150 3.919 3.787 4.123 . 0 0 "[ . 1 . 2]" 1
466 1 28 ILE H 1 28 ILE MD 3.280 . 3.280 3.352 3.331 3.374 0.094 5 0 "[ . 1 . 2]" 1
467 1 28 ILE MG 1 29 ILE H 3.530 . 3.530 3.299 3.118 3.384 . 0 0 "[ . 1 . 2]" 1
468 1 34 ALA MB 1 35 VAL H 3.250 . 3.250 2.793 2.654 2.907 . 0 0 "[ . 1 . 2]" 1
469 1 36 VAL H 1 36 VAL MG1 2.670 . 2.670 2.451 2.405 2.536 . 0 0 "[ . 1 . 2]" 1
470 1 36 VAL MG2 1 37 GLY H 3.390 . 3.390 2.719 2.498 3.027 . 0 0 "[ . 1 . 2]" 1
471 1 44 GLY QA 1 47 ALA H 4.020 . 4.020 3.637 3.422 3.774 . 0 0 "[ . 1 . 2]" 1
472 1 44 GLY QA 1 48 THR H 4.500 . 4.500 3.863 3.712 3.996 . 0 0 "[ . 1 . 2]" 1
473 1 41 ILE MG 1 49 ALA H 5.500 . 5.500 5.184 4.996 5.334 . 0 0 "[ . 1 . 2]" 1
474 1 1 LEU QD 1 49 ALA H 4.570 . 4.570 4.354 4.250 4.483 . 0 0 "[ . 1 . 2]" 1
475 1 49 ALA H 1 52 LEU HG 4.890 . 4.890 4.460 4.330 4.586 . 0 0 "[ . 1 . 2]" 1
476 1 47 ALA MB 1 49 ALA H 5.040 . 5.040 4.624 4.510 4.704 . 0 0 "[ . 1 . 2]" 1
477 1 50 LYS HA 1 53 ILE HG12 5.500 . 5.500 1.983 1.844 2.197 . 0 0 "[ . 1 . 2]" 1
478 1 51 SER H 1 52 LEU HG 4.070 . 4.070 4.054 3.949 4.094 0.024 9 0 "[ . 1 . 2]" 1
479 1 48 THR HA 1 51 SER H 3.620 . 3.620 3.548 3.448 3.633 0.013 20 0 "[ . 1 . 2]" 1
480 1 20 ASN HB3 1 21 THR MG 5.500 . 5.500 3.085 2.822 3.601 . 0 0 "[ . 1 . 2]" 1
481 1 25 VAL MG1 1 43 ALA H 5.170 . 5.170 4.662 4.146 5.224 0.054 3 0 "[ . 1 . 2]" 1
482 1 18 ILE MD 1 32 VAL H 4.460 . 4.460 3.413 3.145 3.599 . 0 0 "[ . 1 . 2]" 1
483 1 31 LEU QD 1 32 VAL H 4.640 . 4.640 4.063 3.985 4.135 . 0 0 "[ . 1 . 2]" 1
484 1 28 ILE MG 1 32 VAL H 4.350 . 4.350 3.703 3.596 3.927 . 0 0 "[ . 1 . 2]" 1
485 1 33 THR H 1 34 ALA H 2.810 . 2.810 2.648 2.562 2.704 . 0 0 "[ . 1 . 2]" 1
486 1 58 ALA H 1 59 LYS H 2.850 . 2.850 2.619 2.536 2.801 . 0 0 "[ . 1 . 2]" 1
487 1 24 ALA H 1 27 THR H 4.680 . 4.680 4.631 4.465 4.701 0.021 11 0 "[ . 1 . 2]" 1
488 1 42 THR H 1 46 VAL H 4.160 . 4.160 4.099 4.039 4.162 0.002 10 0 "[ . 1 . 2]" 1
489 1 54 LYS H 1 56 TYR H 4.510 . 4.510 4.341 4.219 4.412 . 0 0 "[ . 1 . 2]" 1
490 1 14 LYS H 1 16 ILE H 4.430 . 4.430 4.070 3.961 4.188 . 0 0 "[ . 1 . 2]" 1
491 1 63 ALA H 1 64 TRP H 2.560 . 2.560 2.558 2.485 2.580 0.020 1 0 "[ . 1 . 2]" 1
492 1 47 ALA H 1 49 ALA H 4.630 . 4.630 4.283 4.202 4.348 . 0 0 "[ . 1 . 2]" 1
493 1 25 VAL H 1 27 THR H 5.440 . 5.440 4.085 4.025 4.136 . 0 0 "[ . 1 . 2]" 1
494 1 49 ALA HA 1 53 ILE H 4.520 . 4.520 4.013 3.769 4.312 . 0 0 "[ . 1 . 2]" 1
495 1 4 ASN HD22 1 64 TRP HD1 2.980 . 2.980 2.976 2.905 3.006 0.026 3 0 "[ . 1 . 2]" 1
496 1 4 ASN H 1 4 ASN HD22 4.000 . 4.000 3.906 3.826 3.983 . 0 0 "[ . 1 . 2]" 1
497 1 4 ASN H 1 4 ASN HD21 2.650 . 2.650 2.457 2.390 2.523 . 0 0 "[ . 1 . 2]" 1
498 1 13 LYS H 1 14 LYS H 2.610 . 2.610 2.573 2.466 2.638 0.028 3 0 "[ . 1 . 2]" 1
499 1 48 THR MG 1 51 SER H 4.570 . 4.570 4.589 4.545 4.619 0.049 5 0 "[ . 1 . 2]" 1
500 1 49 ALA HA 1 64 TRP HZ3 4.620 . 4.620 4.244 4.036 4.405 . 0 0 "[ . 1 . 2]" 1
501 1 11 ALA HA 1 14 LYS H 3.520 . 3.520 3.363 3.239 3.519 . 0 0 "[ . 1 . 2]" 1
502 1 29 ILE HA 1 33 THR H 4.240 . 4.240 3.819 3.712 4.003 . 0 0 "[ . 1 . 2]" 1
503 1 51 SER HA 1 54 LYS H 3.350 . 3.350 3.395 3.345 3.466 0.116 2 0 "[ . 1 . 2]" 1
504 1 14 LYS HA 1 17 ASP H 3.790 . 3.790 3.464 3.258 3.681 . 0 0 "[ . 1 . 2]" 1
505 1 33 THR HA 1 36 VAL H 3.630 . 3.630 3.444 3.267 3.645 0.015 2 0 "[ . 1 . 2]" 1
506 1 32 VAL HA 1 36 VAL H 4.550 . 4.550 3.886 3.680 4.126 . 0 0 "[ . 1 . 2]" 1
507 1 52 LEU HB3 1 56 TYR QE 4.050 . 4.050 4.032 3.947 4.071 0.021 19 0 "[ . 1 . 2]" 1
508 1 42 THR H 1 45 ILE HB 2.400 . 2.400 2.351 2.266 2.436 0.036 6 0 "[ . 1 . 2]" 1
509 1 42 THR H 1 45 ILE HG12 3.420 . 3.420 2.492 2.365 2.792 . 0 0 "[ . 1 . 2]" 1
510 1 60 TYR QE 1 61 ALA MB 4.860 . 4.860 4.463 4.334 4.604 . 0 0 "[ . 1 . 2]" 1
511 1 42 THR H 1 45 ILE HG13 3.480 . 3.480 2.668 2.508 3.092 . 0 0 "[ . 1 . 2]" 1
512 1 52 LEU HB2 1 60 TYR QE 4.040 . 4.040 4.067 4.032 4.096 0.056 7 0 "[ . 1 . 2]" 1
513 1 7 ILE MD 1 12 ALA H 4.000 . 4.000 2.854 2.764 2.987 . 0 0 "[ . 1 . 2]" 1
514 1 7 ILE MD 1 8 SER H 3.880 . 3.880 3.868 3.792 3.901 0.021 1 0 "[ . 1 . 2]" 1
515 1 33 THR MG 1 38 GLY H 3.530 . 3.530 3.426 2.747 3.589 0.059 6 0 "[ . 1 . 2]" 1
516 1 15 VAL H 1 18 ILE MD 4.110 . 4.110 4.143 4.123 4.166 0.056 13 0 "[ . 1 . 2]" 1
517 1 45 ILE H 1 45 ILE MG 3.810 . 3.810 3.776 3.760 3.788 . 0 0 "[ . 1 . 2]" 1
518 1 32 VAL MG1 1 35 VAL HB 5.500 . 5.500 3.654 3.348 3.878 . 0 0 "[ . 1 . 2]" 1
519 1 45 ILE MG 1 64 TRP HH2 2.880 . 2.880 2.491 2.196 2.628 . 0 0 "[ . 1 . 2]" 1
520 1 45 ILE MG 1 64 TRP HZ2 4.770 . 4.770 4.695 4.441 4.799 0.029 7 0 "[ . 1 . 2]" 1
521 1 56 TYR HB3 1 60 TYR H 4.930 . 4.930 4.927 4.710 4.982 0.052 11 0 "[ . 1 . 2]" 1
522 1 45 ILE HA 1 49 ALA H 3.770 . 3.770 3.709 3.573 3.779 0.009 4 0 "[ . 1 . 2]" 1
523 1 35 VAL HB 1 37 GLY H 4.780 . 4.780 4.787 4.709 4.824 0.044 12 0 "[ . 1 . 2]" 1
524 1 45 ILE HB 1 46 VAL H 2.920 . 2.920 2.645 2.576 2.737 . 0 0 "[ . 1 . 2]" 1
525 1 45 ILE MG 1 64 TRP HZ3 3.380 . 3.380 2.072 2.005 2.153 . 0 0 "[ . 1 . 2]" 1
526 1 28 ILE QG 1 29 ILE H 4.550 . 4.550 3.950 3.795 4.023 . 0 0 "[ . 1 . 2]" 1
527 1 10 TYR QD 1 14 LYS QD 4.350 . 4.350 3.609 2.591 4.438 0.088 2 0 "[ . 1 . 2]" 1
528 1 10 TYR QD 1 35 VAL QG 4.890 . 4.890 4.586 4.009 4.929 0.039 1 0 "[ . 1 . 2]" 1
529 1 53 ILE MG 1 58 ALA H 5.240 . 5.240 3.862 3.736 4.144 . 0 0 "[ . 1 . 2]" 1
530 1 53 ILE MD 1 58 ALA H 5.500 . 5.500 5.210 4.908 5.441 . 0 0 "[ . 1 . 2]" 1
531 1 25 VAL H 1 28 ILE MD 4.380 . 4.380 3.927 3.742 4.078 . 0 0 "[ . 1 . 2]" 1
532 1 28 ILE H 1 29 ILE HB 4.980 . 4.980 4.851 4.700 4.968 . 0 0 "[ . 1 . 2]" 1
533 1 22 GLY H 1 28 ILE MG 4.830 . 4.830 4.189 4.080 4.314 . 0 0 "[ . 1 . 2]" 1
534 1 22 GLY H 1 28 ILE MD 5.200 . 5.200 3.837 2.743 4.190 . 0 0 "[ . 1 . 2]" 1
535 1 32 VAL MG1 1 37 GLY H 5.500 . 5.500 5.113 4.663 5.472 . 0 0 "[ . 1 . 2]" 1
536 1 32 VAL MG1 1 36 VAL H 4.110 . 4.110 3.584 3.418 3.797 . 0 0 "[ . 1 . 2]" 1
537 1 4 ASN H 1 5 LEU QD 4.570 . 4.570 4.424 4.330 4.515 . 0 0 "[ . 1 . 2]" 1
538 1 29 ILE H 1 32 VAL MG2 4.380 . 4.380 4.160 4.017 4.199 . 0 0 "[ . 1 . 2]" 1
539 1 33 THR MG 1 39 GLY H 4.540 . 4.540 3.156 1.818 4.176 . 0 0 "[ . 1 . 2]" 1
540 1 39 GLY H 1 40 LEU HB2 4.820 . 4.820 4.837 4.533 4.871 0.051 1 0 "[ . 1 . 2]" 1
541 1 14 LYS HG3 1 15 VAL H 5.350 . 5.350 4.608 4.316 4.823 . 0 0 "[ . 1 . 2]" 1
542 1 16 ILE MG 1 17 ASP H 3.510 . 3.510 3.206 3.020 3.301 . 0 0 "[ . 1 . 2]" 1
543 1 61 ALA MB 1 64 TRP H 4.880 . 4.880 4.379 4.300 4.444 . 0 0 "[ . 1 . 2]" 1
544 1 62 ALA MB 1 64 TRP H 5.250 . 5.250 4.478 4.395 4.556 . 0 0 "[ . 1 . 2]" 1
545 1 63 ALA MB 1 64 TRP H 2.950 . 2.950 2.440 2.337 2.569 . 0 0 "[ . 1 . 2]" 1
546 1 31 LEU H 1 32 VAL MG2 3.850 . 3.850 3.850 3.804 3.875 0.025 19 0 "[ . 1 . 2]" 1
547 1 32 VAL MG1 1 41 ILE H 4.010 . 4.010 3.873 3.712 4.057 0.047 17 0 "[ . 1 . 2]" 1
548 1 16 ILE MG 1 20 ASN HD21 3.160 . 3.160 3.006 2.546 3.213 0.053 14 0 "[ . 1 . 2]" 1
549 1 20 ASN HD21 1 58 ALA MB 3.580 . 3.580 3.194 2.957 3.482 . 0 0 "[ . 1 . 2]" 1
550 1 53 ILE H 1 53 ILE HG13 3.390 . 3.390 3.392 3.322 3.446 0.056 7 0 "[ . 1 . 2]" 1
551 1 53 ILE HG13 1 54 LYS H 2.940 . 2.940 2.754 2.654 2.846 . 0 0 "[ . 1 . 2]" 1
552 1 34 ALA H 1 35 VAL QG 4.040 . 4.040 3.926 3.795 4.006 . 0 0 "[ . 1 . 2]" 1
553 1 52 LEU MD2 1 64 TRP HD1 4.420 . 4.420 4.411 4.326 4.457 0.037 17 0 "[ . 1 . 2]" 1
554 1 3 ALA MB 1 64 TRP HD1 4.670 . 4.670 4.679 4.595 4.713 0.043 5 0 "[ . 1 . 2]" 1
555 1 4 ASN HB3 1 64 TRP HZ2 4.800 . 4.800 4.751 4.539 4.842 0.042 16 0 "[ . 1 . 2]" 1
556 1 4 ASN HB2 1 64 TRP HZ2 4.780 . 4.780 4.687 4.555 4.789 0.009 11 0 "[ . 1 . 2]" 1
557 1 48 THR HB 1 64 TRP HZ2 4.400 . 4.400 4.145 3.937 4.303 . 0 0 "[ . 1 . 2]" 1
558 1 49 ALA MB 1 64 TRP HH2 4.340 . 4.340 4.333 4.110 4.377 0.037 16 0 "[ . 1 . 2]" 1
559 1 23 SER H 1 28 ILE MD 3.700 . 3.700 3.514 2.350 3.746 0.046 19 0 "[ . 1 . 2]" 1
560 1 35 VAL H 1 36 VAL MG1 4.310 . 4.310 4.210 4.134 4.288 . 0 0 "[ . 1 . 2]" 1
561 1 45 ILE MD 1 48 THR H 5.080 . 5.080 4.928 4.770 5.089 0.009 1 0 "[ . 1 . 2]" 1
562 1 1 LEU HG 1 64 TRP HE3 2.520 . 2.520 2.312 2.244 2.363 . 0 0 "[ . 1 . 2]" 1
563 1 33 THR MG 1 37 GLY H 4.260 . 4.260 3.834 3.541 4.090 . 0 0 "[ . 1 . 2]" 1
564 1 33 THR HA 1 35 VAL H 4.150 . 4.150 4.004 3.852 4.158 0.008 11 0 "[ . 1 . 2]" 1
565 1 30 ALA HA 1 33 THR MG 5.500 . 5.500 4.175 3.835 4.597 . 0 0 "[ . 1 . 2]" 1
566 1 1 LEU HB2 1 12 ALA MB 5.500 . 5.500 2.407 2.160 2.717 . 0 0 "[ . 1 . 2]" 1
567 1 52 LEU HA 1 56 TYR HB2 5.500 . 5.500 3.844 3.650 3.965 . 0 0 "[ . 1 . 2]" 1
568 1 46 VAL HB 1 47 ALA HA 5.500 . 5.500 4.247 4.118 4.419 . 0 0 "[ . 1 . 2]" 1
569 1 56 TYR HB2 1 60 TYR HA 5.500 . 5.500 5.154 5.062 5.232 . 0 0 "[ . 1 . 2]" 1
570 1 56 TYR HB3 1 60 TYR HB3 5.500 . 5.500 3.061 2.934 3.119 . 0 0 "[ . 1 . 2]" 1
571 1 56 TYR HB3 1 60 TYR HB2 5.500 . 5.500 2.689 2.554 2.778 . 0 0 "[ . 1 . 2]" 1
572 1 53 ILE HA 1 58 ALA MB 5.500 . 5.500 4.290 3.964 4.468 . 0 0 "[ . 1 . 2]" 1
573 1 49 ALA H 1 64 TRP HZ3 4.810 . 4.810 4.241 4.047 4.407 . 0 0 "[ . 1 . 2]" 1
574 1 48 THR H 1 50 LYS H 5.500 . 5.500 4.241 3.995 4.418 . 0 0 "[ . 1 . 2]" 1
575 1 28 ILE H 1 30 ALA H 5.480 . 5.480 4.154 3.994 4.314 . 0 0 "[ . 1 . 2]" 1
576 1 30 ALA H 1 33 THR H 5.500 . 5.500 4.722 4.646 4.813 . 0 0 "[ . 1 . 2]" 1
577 1 61 ALA H 1 63 ALA H 4.740 . 4.740 4.235 4.125 4.325 . 0 0 "[ . 1 . 2]" 1
578 1 45 ILE H 1 47 ALA H 4.420 . 4.420 4.171 4.007 4.291 . 0 0 "[ . 1 . 2]" 1
579 1 52 LEU H 1 54 LYS H 5.500 . 5.500 3.985 3.839 4.156 . 0 0 "[ . 1 . 2]" 1
580 1 27 THR H 1 30 ALA H 5.500 . 5.500 4.818 4.621 4.958 . 0 0 "[ . 1 . 2]" 1
581 1 8 SER H 1 11 ALA H 4.570 . 4.570 3.842 3.717 4.037 . 0 0 "[ . 1 . 2]" 1
582 1 32 VAL MG1 1 46 VAL HA 5.500 . 5.500 5.528 5.372 5.558 0.058 12 0 "[ . 1 . 2]" 1
583 1 28 ILE MG 1 50 LYS QE 5.500 . 5.500 4.119 3.225 5.143 . 0 0 "[ . 1 . 2]" 1
584 1 25 VAL HA 1 27 THR HB 5.500 . 5.500 5.130 5.018 5.370 . 0 0 "[ . 1 . 2]" 1
585 1 27 THR HA 1 28 ILE HA 5.500 . 5.500 4.798 4.763 4.855 . 0 0 "[ . 1 . 2]" 1
586 1 45 ILE HA 1 46 VAL HA 5.500 . 5.500 4.836 4.799 4.873 . 0 0 "[ . 1 . 2]" 1
587 1 15 VAL HA 1 32 VAL HA 5.500 . 5.500 4.128 3.841 4.368 . 0 0 "[ . 1 . 2]" 1
588 1 29 ILE HA 1 43 ALA HA 5.500 . 5.500 5.398 5.204 5.545 0.045 12 0 "[ . 1 . 2]" 1
589 1 14 LYS HA 1 15 VAL HA 5.500 . 5.500 4.856 4.816 4.895 . 0 0 "[ . 1 . 2]" 1
590 1 27 THR HB 1 28 ILE HB 5.500 . 5.500 4.908 4.674 5.260 . 0 0 "[ . 1 . 2]" 1
591 1 24 ALA HA 1 25 VAL MG2 5.500 . 5.500 3.560 3.490 3.684 . 0 0 "[ . 1 . 2]" 1
592 1 13 LYS HA 1 15 VAL MG2 5.500 . 5.500 5.530 5.474 5.559 0.059 11 0 "[ . 1 . 2]" 1
593 1 25 VAL HA 1 28 ILE QG 5.500 . 5.500 3.295 2.795 3.483 . 0 0 "[ . 1 . 2]" 1
594 1 16 ILE HG12 1 62 ALA HA 5.500 . 5.500 3.148 3.004 3.338 . 0 0 "[ . 1 . 2]" 1
595 1 15 VAL MG1 1 32 VAL HA 5.500 . 5.500 4.619 4.307 4.874 . 0 0 "[ . 1 . 2]" 1
596 1 28 ILE MG 1 32 VAL HA 5.500 . 5.500 4.935 4.811 5.198 . 0 0 "[ . 1 . 2]" 1
597 1 48 THR HB 1 64 TRP HH2 3.080 . 3.080 3.004 2.830 3.110 0.030 14 0 "[ . 1 . 2]" 1
598 1 19 ILE HA 1 22 GLY H 4.550 . 4.550 3.733 3.375 3.997 . 0 0 "[ . 1 . 2]" 1
599 1 19 ILE HA 1 21 THR H 4.770 . 4.770 4.327 4.074 4.530 . 0 0 "[ . 1 . 2]" 1
600 1 63 ALA H 1 64 TRP HB3 5.260 . 5.260 4.665 4.548 4.729 . 0 0 "[ . 1 . 2]" 1
601 1 16 ILE MD 1 53 ILE MG 5.500 . 5.500 2.473 2.259 2.675 . 0 0 "[ . 1 . 2]" 1
602 1 36 VAL MG2 1 41 ILE H 3.230 . 3.230 2.933 2.448 3.265 0.035 12 0 "[ . 1 . 2]" 1
603 1 34 ALA H 1 35 VAL HB 4.780 . 4.780 4.716 4.540 4.801 0.021 13 0 "[ . 1 . 2]" 1
604 1 5 LEU H 1 6 GLY HA3 5.500 . 5.500 4.912 4.828 4.986 . 0 0 "[ . 1 . 2]" 1
605 1 2 THR H 1 62 ALA HA 5.500 . 5.500 4.075 3.957 4.196 . 0 0 "[ . 1 . 2]" 1
606 1 2 THR H 1 64 TRP HA 5.500 . 5.500 4.678 4.531 4.826 . 0 0 "[ . 1 . 2]" 1
607 1 23 SER H 1 28 ILE H 5.500 . 5.500 5.193 4.918 5.527 0.027 3 0 "[ . 1 . 2]" 1
608 1 29 ILE MG 1 43 ALA H 4.280 . 4.280 3.751 3.262 4.326 0.046 14 0 "[ . 1 . 2]" 1
609 1 43 ALA H 1 46 VAL MG2 4.840 . 4.840 4.265 4.091 4.380 . 0 0 "[ . 1 . 2]" 1
610 1 9 SER H 1 12 ALA MB 4.880 . 4.880 4.554 4.308 4.860 . 0 0 "[ . 1 . 2]" 1
611 1 18 ILE MG 1 32 VAL H 3.480 . 3.480 2.849 2.658 2.962 . 0 0 "[ . 1 . 2]" 1
612 1 41 ILE H 1 41 ILE HB 2.770 . 2.770 2.588 2.510 2.670 . 0 0 "[ . 1 . 2]" 1
613 1 40 LEU HB2 1 41 ILE H 2.980 . 2.980 2.130 1.937 2.542 . 0 0 "[ . 1 . 2]" 1
614 1 41 ILE H 1 42 THR MG 5.100 . 5.100 4.335 4.148 4.534 . 0 0 "[ . 1 . 2]" 1
615 1 52 LEU HB3 1 56 TYR H 5.420 . 5.420 4.369 4.315 4.494 . 0 0 "[ . 1 . 2]" 1
616 1 43 ALA H 1 45 ILE H 5.500 . 5.500 4.161 4.070 4.304 . 0 0 "[ . 1 . 2]" 1
617 1 8 SER HG 1 11 ALA H 4.030 . 4.030 2.852 2.509 3.066 . 0 0 "[ . 1 . 2]" 1
618 1 8 SER HG 1 11 ALA MB 4.430 . 4.430 2.568 2.393 2.935 . 0 0 "[ . 1 . 2]" 1
619 1 42 THR HG1 1 44 GLY QA 5.190 . 5.190 3.752 3.426 4.081 . 0 0 "[ . 1 . 2]" 1
620 1 42 THR HG1 1 45 ILE HG12 4.380 . 4.380 2.799 2.408 3.104 . 0 0 "[ . 1 . 2]" 1
621 1 42 THR HG1 1 45 ILE HG13 4.590 . 4.590 4.109 3.781 4.467 . 0 0 "[ . 1 . 2]" 1
622 1 42 THR HG1 1 42 THR MG 3.140 . 3.140 2.337 2.123 2.760 . 0 0 "[ . 1 . 2]" 1
623 1 42 THR HG1 1 45 ILE H 3.730 . 3.730 3.288 3.049 3.599 . 0 0 "[ . 1 . 2]" 1
624 1 42 THR HG1 1 44 GLY H 3.430 . 3.430 3.269 2.708 3.460 0.030 1 0 "[ . 1 . 2]" 1
625 1 45 ILE H 1 45 ILE HG12 2.700 . 2.700 2.283 2.210 2.346 . 0 0 "[ . 1 . 2]" 1
626 1 43 ALA MB 1 45 ILE H 4.680 . 4.680 4.517 4.427 4.609 . 0 0 "[ . 1 . 2]" 1
627 1 41 ILE MG 1 45 ILE H 4.000 . 4.000 4.045 4.017 4.090 0.090 16 0 "[ . 1 . 2]" 1
628 1 41 ILE MG 1 46 VAL H 3.760 . 3.760 2.917 2.866 3.004 . 0 0 "[ . 1 . 2]" 1
629 1 11 ALA H 1 12 ALA MB 4.500 . 4.500 4.341 4.264 4.450 . 0 0 "[ . 1 . 2]" 1
630 1 1 LEU HA 1 4 ASN HD21 4.390 . 4.390 4.095 3.998 4.304 . 0 0 "[ . 1 . 2]" 1
631 1 15 VAL H 1 15 VAL MG2 2.470 . 2.470 1.993 1.941 2.053 . 0 0 "[ . 1 . 2]" 1
632 1 8 SER HA 1 9 SER H 2.400 . 2.400 2.373 2.302 2.423 0.023 5 0 "[ . 1 . 2]" 1
633 1 12 ALA MB 1 14 LYS H 5.330 . 5.330 4.418 4.356 4.491 . 0 0 "[ . 1 . 2]" 1
634 1 13 LYS HB2 1 14 LYS H 3.650 . 3.650 3.691 3.634 3.712 0.062 7 0 "[ . 1 . 2]" 1
635 1 2 THR H 1 7 ILE MD 4.420 . 4.420 3.902 3.719 4.076 . 0 0 "[ . 1 . 2]" 1
636 1 2 THR H 1 12 ALA MB 3.200 . 3.200 3.002 2.840 3.219 0.019 20 0 "[ . 1 . 2]" 1
637 1 5 LEU H 1 6 GLY HA2 4.810 . 4.810 4.556 4.459 4.659 . 0 0 "[ . 1 . 2]" 1
638 1 7 ILE QG 1 9 SER H 5.500 . 5.500 5.110 4.824 5.349 . 0 0 "[ . 1 . 2]" 1
639 1 9 SER H 1 11 ALA MB 5.500 . 5.500 5.113 4.961 5.372 . 0 0 "[ . 1 . 2]" 1
640 1 9 SER H 1 11 ALA H 4.920 . 4.920 4.338 4.192 4.622 . 0 0 "[ . 1 . 2]" 1
641 1 8 SER HB2 1 10 TYR H 2.880 . 2.880 2.493 2.331 2.619 . 0 0 "[ . 1 . 2]" 1
642 1 10 TYR H 1 11 ALA MB 4.600 . 4.600 4.360 4.245 4.454 . 0 0 "[ . 1 . 2]" 1
643 1 26 ALA H 1 28 ILE H 4.380 . 4.380 4.201 4.152 4.269 . 0 0 "[ . 1 . 2]" 1
644 1 41 ILE H 1 42 THR H 5.030 . 5.030 4.051 3.930 4.140 . 0 0 "[ . 1 . 2]" 1
645 1 60 TYR QE 1 64 TRP H 5.480 . 5.480 5.040 4.937 5.147 . 0 0 "[ . 1 . 2]" 1
646 1 33 THR HA 1 37 GLY H 3.480 . 3.480 3.170 2.682 3.516 0.036 1 0 "[ . 1 . 2]" 1
647 1 29 ILE H 1 30 ALA MB 4.700 . 4.700 4.484 4.400 4.656 . 0 0 "[ . 1 . 2]" 1
648 1 45 ILE HG12 1 46 VAL H 4.360 . 4.360 4.232 4.186 4.347 . 0 0 "[ . 1 . 2]" 1
649 1 49 ALA MB 1 50 LYS H 2.650 . 2.650 2.541 2.458 2.592 . 0 0 "[ . 1 . 2]" 1
650 1 42 THR MG 1 44 GLY H 4.490 . 4.490 4.340 4.170 4.496 0.006 10 0 "[ . 1 . 2]" 1
651 1 19 ILE H 1 32 VAL MG1 4.770 . 4.770 4.851 4.803 4.923 0.153 17 0 "[ . 1 . 2]" 1
652 1 16 ILE MG 1 19 ILE H 5.410 . 5.410 5.072 4.997 5.132 . 0 0 "[ . 1 . 2]" 1
653 1 18 ILE HG12 1 19 ILE H 5.500 . 5.500 4.919 4.840 4.956 . 0 0 "[ . 1 . 2]" 1
654 1 29 ILE H 1 46 VAL MG1 3.930 . 3.930 3.875 3.637 4.006 0.076 14 0 "[ . 1 . 2]" 1
655 1 60 TYR H 1 61 ALA MB 4.120 . 4.120 4.196 4.176 4.222 0.102 15 0 "[ . 1 . 2]" 1
656 1 2 THR H 1 3 ALA MB 4.340 . 4.340 4.366 4.349 4.382 0.042 4 0 "[ . 1 . 2]" 1
657 1 16 ILE MG 1 58 ALA H 4.960 . 4.960 4.795 4.644 4.972 0.012 10 0 "[ . 1 . 2]" 1
658 1 36 VAL MG2 1 40 LEU H 3.590 . 3.590 3.529 3.334 3.673 0.083 4 0 "[ . 1 . 2]" 1
659 1 60 TYR QE 1 64 TRP HB2 3.400 . 3.400 3.074 3.003 3.152 . 0 0 "[ . 1 . 2]" 1
660 1 60 TYR QD 1 61 ALA HA 2.840 . 2.840 2.703 2.632 2.824 . 0 0 "[ . 1 . 2]" 1
661 1 54 LYS QB 1 55 LYS H 3.070 . 3.070 2.644 2.370 2.946 . 0 0 "[ . 1 . 2]" 1
662 1 52 LEU HA 1 55 LYS H 3.730 . 3.730 3.502 3.402 3.670 . 0 0 "[ . 1 . 2]" 1
663 1 10 TYR HA 1 13 LYS H 3.970 . 3.970 3.661 3.302 3.908 . 0 0 "[ . 1 . 2]" 1
664 1 3 ALA HA 1 6 GLY H 4.230 . 4.230 4.151 4.048 4.224 . 0 0 "[ . 1 . 2]" 1
665 1 43 ALA MB 1 47 ALA H 5.260 . 5.260 4.444 4.340 4.612 . 0 0 "[ . 1 . 2]" 1
666 1 47 ALA H 1 49 ALA MB 5.500 . 5.500 4.935 4.841 5.005 . 0 0 "[ . 1 . 2]" 1
667 1 59 LYS H 1 59 LYS HB2 3.170 . 3.170 2.572 2.344 2.697 . 0 0 "[ . 1 . 2]" 1
668 1 15 VAL MG2 1 16 ILE H 4.420 . 4.420 3.691 3.631 3.749 . 0 0 "[ . 1 . 2]" 1
669 1 1 LEU HB3 1 64 TRP HE3 4.670 . 4.670 4.309 4.279 4.349 . 0 0 "[ . 1 . 2]" 1
670 1 19 ILE H 1 20 ASN HB2 5.500 . 5.500 4.771 4.639 4.908 . 0 0 "[ . 1 . 2]" 1
671 1 16 ILE HA 1 19 ILE H 4.050 . 4.050 3.770 3.671 3.851 . 0 0 "[ . 1 . 2]" 1
672 1 19 ILE H 1 19 ILE MD 4.230 . 4.230 3.756 3.728 3.795 . 0 0 "[ . 1 . 2]" 1
673 1 19 ILE H 1 28 ILE MG 4.570 . 4.570 3.520 3.387 3.758 . 0 0 "[ . 1 . 2]" 1
674 1 18 ILE MD 1 19 ILE H 5.500 . 5.500 4.313 4.192 4.391 . 0 0 "[ . 1 . 2]" 1
675 1 46 VAL HA 1 49 ALA H 4.070 . 4.070 3.726 3.620 3.849 . 0 0 "[ . 1 . 2]" 1
676 1 52 LEU MD1 1 53 ILE H 5.470 . 5.470 4.436 4.366 4.579 . 0 0 "[ . 1 . 2]" 1
677 1 51 SER HA 1 53 ILE H 5.500 . 5.500 4.393 4.231 4.506 . 0 0 "[ . 1 . 2]" 1
678 1 53 ILE H 1 58 ALA HA 5.500 . 5.500 5.089 4.766 5.272 . 0 0 "[ . 1 . 2]" 1
679 1 53 ILE H 1 53 ILE HB 3.760 . 3.760 3.709 3.696 3.723 . 0 0 "[ . 1 . 2]" 1
680 1 50 LYS HA 1 53 ILE H 4.120 . 4.120 3.431 2.936 3.816 . 0 0 "[ . 1 . 2]" 1
681 1 56 TYR HA 1 56 TYR QE 4.790 . 4.790 4.470 4.408 4.557 . 0 0 "[ . 1 . 2]" 1
682 1 12 ALA HA 1 15 VAL H 4.040 . 4.040 3.396 3.285 3.565 . 0 0 "[ . 1 . 2]" 1
683 1 60 TYR HA 1 60 TYR QE 4.810 . 4.810 4.780 4.719 4.818 0.008 17 0 "[ . 1 . 2]" 1
684 1 10 TYR HA 1 13 LYS HB3 4.490 . 4.490 3.151 2.778 3.529 . 0 0 "[ . 1 . 2]" 1
685 1 10 TYR HA 1 13 LYS HB2 4.600 . 4.600 3.570 3.067 4.046 . 0 0 "[ . 1 . 2]" 1
686 1 29 ILE HB 1 30 ALA HA 5.110 . 5.110 4.175 4.062 4.321 . 0 0 "[ . 1 . 2]" 1
687 1 25 VAL HA 1 25 VAL MG1 3.180 . 3.180 2.429 2.388 2.474 . 0 0 "[ . 1 . 2]" 1
688 1 25 VAL HA 1 28 ILE HB 3.550 . 3.550 2.735 2.595 2.977 . 0 0 "[ . 1 . 2]" 1
689 1 40 LEU HA 1 40 LEU HG 3.750 . 3.750 3.122 3.029 3.269 . 0 0 "[ . 1 . 2]" 1
690 1 40 LEU HA 1 40 LEU MD1 4.620 . 4.620 3.861 3.835 3.881 . 0 0 "[ . 1 . 2]" 1
691 1 40 LEU HA 1 40 LEU MD2 4.620 . 4.620 2.077 2.038 2.172 . 0 0 "[ . 1 . 2]" 1
692 1 49 ALA H 1 64 TRP HH2 5.010 . 5.010 4.516 4.323 4.646 . 0 0 "[ . 1 . 2]" 1
693 1 2 THR HA 1 2 THR MG 3.280 . 3.280 2.500 2.389 2.577 . 0 0 "[ . 1 . 2]" 1
694 1 3 ALA MB 1 64 TRP HA 3.070 . 3.070 2.661 2.549 2.742 . 0 0 "[ . 1 . 2]" 1
695 1 11 ALA HA 1 14 LYS HB2 3.530 . 3.530 2.509 2.401 2.739 . 0 0 "[ . 1 . 2]" 1
696 1 11 ALA HA 1 14 LYS HB3 4.340 . 4.340 4.044 3.934 4.236 . 0 0 "[ . 1 . 2]" 1
697 1 53 ILE HA 1 53 ILE HG12 4.040 . 4.040 3.770 3.749 3.797 . 0 0 "[ . 1 . 2]" 1
698 1 53 ILE HA 1 53 ILE HG13 3.810 . 3.810 3.706 3.668 3.733 . 0 0 "[ . 1 . 2]" 1
699 1 53 ILE HG12 1 53 ILE MG 3.440 . 3.440 2.365 2.341 2.406 . 0 0 "[ . 1 . 2]" 1
700 1 53 ILE HB 1 53 ILE HG13 2.800 . 2.800 2.463 2.433 2.482 . 0 0 "[ . 1 . 2]" 1
701 1 53 ILE H 1 53 ILE MD 4.460 . 4.460 3.794 3.750 3.835 . 0 0 "[ . 1 . 2]" 1
702 1 19 ILE HA 1 19 ILE MG 3.190 . 3.190 2.390 2.372 2.413 . 0 0 "[ . 1 . 2]" 1
703 1 19 ILE HA 1 28 ILE MG 3.110 . 3.110 2.136 1.954 2.652 . 0 0 "[ . 1 . 2]" 1
704 1 19 ILE HA 1 19 ILE HG12 3.940 . 3.940 3.755 3.741 3.772 . 0 0 "[ . 1 . 2]" 1
705 1 31 LEU HA 1 31 LEU HG 3.850 . 3.850 3.118 3.025 3.188 . 0 0 "[ . 1 . 2]" 1
706 1 31 LEU HA 1 31 LEU QD 2.740 . 2.740 2.060 2.037 2.090 . 0 0 "[ . 1 . 2]" 1
707 1 29 ILE HA 1 29 ILE HG12 3.770 . 3.770 2.667 2.584 2.967 . 0 0 "[ . 1 . 2]" 1
708 1 29 ILE MD 1 46 VAL MG2 5.500 . 5.500 3.109 1.919 3.339 . 0 0 "[ . 1 . 2]" 1
709 1 14 LYS HB3 1 18 ILE MD 5.500 . 5.500 3.238 3.036 3.499 . 0 0 "[ . 1 . 2]" 1
710 1 29 ILE HA 1 29 ILE MG 3.380 . 3.380 2.429 2.358 2.534 . 0 0 "[ . 1 . 2]" 1
711 1 29 ILE HA 1 46 VAL MG2 3.740 . 3.740 2.860 2.673 3.237 . 0 0 "[ . 1 . 2]" 1
712 1 15 VAL HA 1 18 ILE MD 3.430 . 3.430 2.511 2.254 2.664 . 0 0 "[ . 1 . 2]" 1
713 1 55 LYS HB2 1 55 LYS QE 4.190 . 4.190 3.126 3.041 3.211 . 0 0 "[ . 1 . 2]" 1
714 1 52 LEU MD1 1 64 TRP HD1 3.870 . 3.870 3.572 3.444 3.678 . 0 0 "[ . 1 . 2]" 1
715 1 55 LYS HA 1 56 TYR QD 5.500 . 5.500 4.896 4.825 4.938 . 0 0 "[ . 1 . 2]" 1
716 1 52 LEU HG 1 56 TYR QE 5.100 . 5.100 4.791 4.678 4.876 . 0 0 "[ . 1 . 2]" 1
717 1 52 LEU HB2 1 56 TYR QE 5.500 . 5.500 5.439 5.369 5.489 . 0 0 "[ . 1 . 2]" 1
718 1 48 THR MG 1 52 LEU MD1 3.120 . 3.120 2.107 2.008 2.188 . 0 0 "[ . 1 . 2]" 1
719 1 52 LEU HB3 1 52 LEU MD1 3.150 . 3.150 2.377 2.343 2.412 . 0 0 "[ . 1 . 2]" 1
720 1 52 LEU HB2 1 52 LEU MD1 3.060 . 3.060 2.258 2.231 2.275 . 0 0 "[ . 1 . 2]" 1
721 1 52 LEU HA 1 52 LEU MD1 4.560 . 4.560 3.875 3.842 3.897 . 0 0 "[ . 1 . 2]" 1
722 1 52 LEU HA 1 52 LEU MD2 2.930 . 2.930 2.172 2.134 2.229 . 0 0 "[ . 1 . 2]" 1
723 1 52 LEU HB3 1 52 LEU MD2 3.320 . 3.320 2.328 2.299 2.366 . 0 0 "[ . 1 . 2]" 1
724 1 52 LEU HA 1 52 LEU HG 3.890 . 3.890 3.153 3.105 3.201 . 0 0 "[ . 1 . 2]" 1
725 1 5 LEU QD 1 64 TRP HZ2 5.500 . 5.500 5.491 5.372 5.536 0.036 1 0 "[ . 1 . 2]" 1
726 1 45 ILE MD 1 64 TRP HZ3 3.620 . 3.620 3.302 3.099 3.508 . 0 0 "[ . 1 . 2]" 1
727 1 61 ALA MB 1 64 TRP HE3 4.420 . 4.420 3.663 3.570 3.772 . 0 0 "[ . 1 . 2]" 1
728 1 64 TRP HA 1 64 TRP HE3 4.780 . 4.780 4.565 4.529 4.585 . 0 0 "[ . 1 . 2]" 1
729 1 60 TYR QD 1 63 ALA MB 4.740 . 4.740 4.533 4.415 4.695 . 0 0 "[ . 1 . 2]" 1
730 1 52 LEU MD1 1 64 TRP HB2 3.720 . 3.720 3.162 3.033 3.283 . 0 0 "[ . 1 . 2]" 1
731 1 49 ALA HA 1 52 LEU MD1 3.310 . 3.310 2.158 2.072 2.294 . 0 0 "[ . 1 . 2]" 1
732 1 52 LEU MD1 1 64 TRP HB3 3.640 . 3.640 2.889 2.779 2.987 . 0 0 "[ . 1 . 2]" 1
733 1 49 ALA HA 1 52 LEU HG 3.980 . 3.980 3.014 2.836 3.166 . 0 0 "[ . 1 . 2]" 1
734 1 1 LEU HA 1 1 LEU HG 3.850 . 3.850 2.977 2.936 3.006 . 0 0 "[ . 1 . 2]" 1
735 1 1 LEU HA 1 1 LEU QD 2.810 . 2.810 2.080 2.062 2.098 . 0 0 "[ . 1 . 2]" 1
736 1 1 LEU QD 1 15 VAL HB 5.500 . 5.500 2.036 1.939 2.178 . 0 0 "[ . 1 . 2]" 1
737 1 5 LEU HA 1 5 LEU HG 3.730 . 3.730 3.106 3.024 3.155 . 0 0 "[ . 1 . 2]" 1
738 1 5 LEU HA 1 5 LEU QD 2.960 . 2.960 2.187 2.147 2.221 . 0 0 "[ . 1 . 2]" 1
739 1 5 LEU HB2 1 5 LEU QD 3.160 . 3.160 2.158 2.113 2.189 . 0 0 "[ . 1 . 2]" 1
740 1 7 ILE HA 1 7 ILE MD 4.300 . 4.300 4.202 4.192 4.219 . 0 0 "[ . 1 . 2]" 1
741 1 7 ILE MD 1 11 ALA MB 5.500 . 5.500 2.264 2.085 2.486 . 0 0 "[ . 1 . 2]" 1
742 1 19 ILE MG 1 28 ILE MG 5.500 . 5.500 2.031 1.947 2.316 . 0 0 "[ . 1 . 2]" 1
743 1 16 ILE MD 1 19 ILE MD 5.500 . 5.500 2.032 1.948 2.156 . 0 0 "[ . 1 . 2]" 1
744 1 9 SER HA 1 9 SER QB 2.400 . 2.400 2.373 2.317 2.417 0.017 11 0 "[ . 1 . 2]" 1
745 1 13 LYS HB3 1 13 LYS QE 4.620 . 4.620 3.437 1.954 4.494 . 0 0 "[ . 1 . 2]" 1
746 1 2 THR HA 1 5 LEU HB2 4.310 . 4.310 3.612 3.481 3.714 . 0 0 "[ . 1 . 2]" 1
747 1 14 LYS HB3 1 14 LYS QE 4.210 . 4.210 3.018 1.915 4.030 . 0 0 "[ . 1 . 2]" 1
748 1 2 THR HA 1 7 ILE QG 5.380 . 5.380 1.989 1.877 2.076 . 0 0 "[ . 1 . 2]" 1
749 1 5 LEU HB2 1 7 ILE QG 5.500 . 5.500 2.165 2.096 2.239 . 0 0 "[ . 1 . 2]" 1
750 1 15 VAL HA 1 15 VAL MG1 3.260 . 3.260 2.412 2.388 2.437 . 0 0 "[ . 1 . 2]" 1
751 1 15 VAL HA 1 15 VAL MG2 3.350 . 3.350 2.444 2.426 2.468 . 0 0 "[ . 1 . 2]" 1
752 1 16 ILE H 1 16 ILE MG 3.830 . 3.830 3.790 3.751 3.821 . 0 0 "[ . 1 . 2]" 1
753 1 18 ILE HA 1 18 ILE HG13 3.360 . 3.360 2.968 2.904 3.008 . 0 0 "[ . 1 . 2]" 1
754 1 18 ILE HA 1 18 ILE MG 3.110 . 3.110 2.377 2.341 2.438 . 0 0 "[ . 1 . 2]" 1
755 1 18 ILE HA 1 18 ILE MD 4.130 . 4.130 3.882 3.850 3.906 . 0 0 "[ . 1 . 2]" 1
756 1 18 ILE MD 1 35 VAL QG 5.500 . 5.500 1.925 1.839 1.993 . 0 0 "[ . 1 . 2]" 1
757 1 19 ILE HA 1 19 ILE HG13 3.940 . 3.940 3.705 3.685 3.722 . 0 0 "[ . 1 . 2]" 1
758 1 17 ASP HA 1 20 ASN HB3 3.720 . 3.720 2.987 2.705 3.249 . 0 0 "[ . 1 . 2]" 1
759 1 17 ASP HA 1 20 ASN HB2 3.920 . 3.920 3.503 2.810 3.925 0.005 20 0 "[ . 1 . 2]" 1
760 1 21 THR HA 1 21 THR MG 3.220 . 3.220 2.310 2.273 2.367 . 0 0 "[ . 1 . 2]" 1
761 1 27 THR HA 1 27 THR MG 3.230 . 3.230 2.393 2.323 2.436 . 0 0 "[ . 1 . 2]" 1
762 1 46 VAL HA 1 46 VAL MG1 2.770 . 2.770 2.460 2.442 2.489 . 0 0 "[ . 1 . 2]" 1
763 1 46 VAL HA 1 46 VAL MG2 2.810 . 2.810 2.369 2.317 2.397 . 0 0 "[ . 1 . 2]" 1
764 1 28 ILE HA 1 28 ILE MG 3.140 . 3.140 2.425 2.391 2.475 . 0 0 "[ . 1 . 2]" 1
765 1 32 VAL HA 1 32 VAL MG2 3.270 . 3.270 2.531 2.506 2.586 . 0 0 "[ . 1 . 2]" 1
766 1 32 VAL HA 1 32 VAL MG1 3.160 . 3.160 2.306 2.244 2.345 . 0 0 "[ . 1 . 2]" 1
767 1 33 THR HA 1 33 THR MG 3.400 . 3.400 2.417 2.313 2.502 . 0 0 "[ . 1 . 2]" 1
768 1 35 VAL HA 1 35 VAL QG 2.870 . 2.870 2.123 2.101 2.141 . 0 0 "[ . 1 . 2]" 1
769 1 36 VAL HA 1 36 VAL MG1 3.220 . 3.220 2.378 2.350 2.434 . 0 0 "[ . 1 . 2]" 1
770 1 36 VAL HA 1 36 VAL MG2 3.630 . 3.630 3.234 3.214 3.262 . 0 0 "[ . 1 . 2]" 1
771 1 42 THR HA 1 42 THR MG 3.090 . 3.090 2.304 2.262 2.348 . 0 0 "[ . 1 . 2]" 1
772 1 48 THR HA 1 48 THR MG 3.250 . 3.250 2.380 2.344 2.421 . 0 0 "[ . 1 . 2]" 1
773 1 19 ILE MD 1 49 ALA H 5.080 . 5.080 4.493 4.314 4.646 . 0 0 "[ . 1 . 2]" 1
774 1 19 ILE MG 1 49 ALA H 5.020 . 5.020 4.932 4.689 5.036 0.016 13 0 "[ . 1 . 2]" 1
775 1 45 ILE MD 1 49 ALA H 5.160 . 5.160 5.021 4.873 5.127 . 0 0 "[ . 1 . 2]" 1
776 1 49 ALA H 1 52 LEU HB2 5.500 . 5.500 5.302 5.169 5.399 . 0 0 "[ . 1 . 2]" 1
777 1 50 LYS QE 1 50 LYS HG2 3.650 . 3.650 2.688 2.327 3.323 . 0 0 "[ . 1 . 2]" 1
778 1 50 LYS QE 1 50 LYS HG3 3.650 . 3.650 2.967 2.308 3.545 . 0 0 "[ . 1 . 2]" 1
779 1 51 SER HA 1 51 SER QB 2.540 . 2.540 2.377 2.333 2.434 . 0 0 "[ . 1 . 2]" 1
780 1 54 LYS HA 1 54 LYS QD 4.500 . 4.500 3.687 2.032 4.269 . 0 0 "[ . 1 . 2]" 1
781 1 14 LYS HA 1 14 LYS QD 3.960 . 3.960 2.864 1.934 4.062 0.102 12 0 "[ . 1 . 2]" 1
782 1 60 TYR QE 1 64 TRP HD1 4.250 . 4.250 3.557 3.412 3.698 . 0 0 "[ . 1 . 2]" 1
783 1 10 TYR QE 1 11 ALA HA 5.170 . 5.170 4.724 4.378 5.074 . 0 0 "[ . 1 . 2]" 1
784 1 43 ALA HA 1 47 ALA H 5.500 . 5.500 3.862 3.685 4.027 . 0 0 "[ . 1 . 2]" 1
785 1 60 TYR QE 1 63 ALA MB 5.500 . 5.500 5.162 4.986 5.335 . 0 0 "[ . 1 . 2]" 1
786 1 52 LEU HG 1 60 TYR QE 5.270 . 5.270 4.350 4.291 4.427 . 0 0 "[ . 1 . 2]" 1
787 1 7 ILE MG 1 12 ALA H 5.500 . 5.500 5.159 5.067 5.390 . 0 0 "[ . 1 . 2]" 1
788 1 56 TYR QD 1 60 TYR HB2 5.500 . 5.500 4.513 4.411 4.607 . 0 0 "[ . 1 . 2]" 1
789 1 14 LYS HA 1 14 LYS QE 3.750 . 3.750 2.983 1.803 3.809 0.059 1 0 "[ . 1 . 2]" 1
790 1 14 LYS HA 1 17 ASP HB2 4.070 . 4.070 3.672 3.221 4.027 . 0 0 "[ . 1 . 2]" 1
791 1 14 LYS HA 1 17 ASP HB3 4.070 . 4.070 3.003 2.701 3.473 . 0 0 "[ . 1 . 2]" 1
792 1 45 ILE HA 1 45 ILE MD 3.420 . 3.420 2.061 2.011 2.102 . 0 0 "[ . 1 . 2]" 1
793 1 45 ILE HA 1 45 ILE MG 3.370 . 3.370 2.429 2.396 2.481 . 0 0 "[ . 1 . 2]" 1
794 1 41 ILE HA 1 45 ILE HB 3.640 . 3.640 2.232 2.116 2.449 . 0 0 "[ . 1 . 2]" 1
795 1 45 ILE HA 1 45 ILE HG12 3.470 . 3.470 3.106 3.005 3.148 . 0 0 "[ . 1 . 2]" 1
796 1 41 ILE HA 1 45 ILE HG13 4.280 . 4.280 2.513 2.357 3.024 . 0 0 "[ . 1 . 2]" 1
797 1 10 TYR QD 1 14 LYS HB2 5.500 . 5.500 4.312 4.005 4.598 . 0 0 "[ . 1 . 2]" 1
798 1 45 ILE HG13 1 64 TRP HH2 4.650 . 4.650 4.622 4.355 4.686 0.036 6 0 "[ . 1 . 2]" 1
799 1 61 ALA HA 1 64 TRP HB2 3.860 . 3.860 3.052 2.935 3.188 . 0 0 "[ . 1 . 2]" 1
800 1 61 ALA HA 1 64 TRP HB3 3.850 . 3.850 2.043 1.970 2.122 . 0 0 "[ . 1 . 2]" 1
801 1 1 LEU HB2 1 62 ALA HA 3.810 . 3.810 2.877 2.615 3.126 . 0 0 "[ . 1 . 2]" 1
802 1 16 ILE HG13 1 62 ALA HA 3.850 . 3.850 3.216 2.990 3.426 . 0 0 "[ . 1 . 2]" 1
803 1 43 ALA HA 1 46 VAL HB 3.980 . 3.980 2.644 2.492 2.870 . 0 0 "[ . 1 . 2]" 1
804 1 44 GLY QA 1 47 ALA MB 3.480 . 3.480 2.889 2.599 3.113 . 0 0 "[ . 1 . 2]" 1
805 1 46 VAL HA 1 49 ALA MB 3.440 . 3.440 2.816 2.636 2.937 . 0 0 "[ . 1 . 2]" 1
806 1 49 ALA MB 1 52 LEU H 5.090 . 5.090 4.514 4.454 4.616 . 0 0 "[ . 1 . 2]" 1
807 1 52 LEU H 1 61 ALA MB 5.500 . 5.500 4.460 4.184 4.744 . 0 0 "[ . 1 . 2]" 1
808 1 28 ILE QG 1 28 ILE MG 3.130 . 3.130 2.241 2.216 2.274 . 0 0 "[ . 1 . 2]" 1
809 1 28 ILE HA 1 28 ILE QG 3.420 . 3.420 2.424 2.358 2.483 . 0 0 "[ . 1 . 2]" 1
810 1 10 TYR QD 1 14 LYS HB3 5.160 . 5.160 5.166 4.892 5.271 0.111 10 0 "[ . 1 . 2]" 1
811 1 10 TYR QE 1 14 LYS HB3 5.500 . 5.500 5.172 4.853 5.468 . 0 0 "[ . 1 . 2]" 1
812 1 10 TYR QE 1 35 VAL QG 4.650 . 4.650 4.339 3.606 4.663 0.013 13 0 "[ . 1 . 2]" 1
813 1 48 THR MG 1 49 ALA HA 3.840 . 3.840 3.423 3.349 3.508 . 0 0 "[ . 1 . 2]" 1
814 1 18 ILE MD 1 32 VAL HA 3.060 . 3.060 2.085 1.954 2.260 . 0 0 "[ . 1 . 2]" 1
815 1 29 ILE MD 1 43 ALA HA 3.410 . 3.410 2.163 1.969 2.390 . 0 0 "[ . 1 . 2]" 1
816 1 16 ILE MD 1 61 ALA MB 2.530 . 2.530 2.026 1.943 2.093 . 0 0 "[ . 1 . 2]" 1
817 1 11 ALA MB 1 15 VAL H 4.820 . 4.820 4.361 4.280 4.421 . 0 0 "[ . 1 . 2]" 1
818 1 14 LYS HG2 1 15 VAL H 5.350 . 5.350 4.417 4.011 4.926 . 0 0 "[ . 1 . 2]" 1
819 1 16 ILE HG12 1 16 ILE MG 3.680 . 3.680 3.203 3.189 3.218 . 0 0 "[ . 1 . 2]" 1
820 1 16 ILE HB 1 16 ILE MD 3.410 . 3.410 3.240 3.230 3.256 . 0 0 "[ . 1 . 2]" 1
821 1 16 ILE HA 1 16 ILE MG 3.360 . 3.360 2.501 2.434 2.532 . 0 0 "[ . 1 . 2]" 1
822 1 18 ILE HA 1 18 ILE HG12 3.800 . 3.800 2.634 2.571 2.675 . 0 0 "[ . 1 . 2]" 1
823 1 16 ILE HA 1 16 ILE MD 3.350 . 3.350 2.029 1.992 2.088 . 0 0 "[ . 1 . 2]" 1
824 1 19 ILE H 1 32 VAL MG2 5.320 . 5.320 3.619 3.507 3.775 . 0 0 "[ . 1 . 2]" 1
825 1 52 LEU H 1 54 LYS QB 5.350 . 5.350 4.849 4.520 5.277 . 0 0 "[ . 1 . 2]" 1
826 1 1 LEU HB3 1 2 THR HA 4.700 . 4.700 4.116 4.051 4.170 . 0 0 "[ . 1 . 2]" 1
827 1 33 THR MG 1 34 ALA HA 3.930 . 3.930 3.677 3.441 3.887 . 0 0 "[ . 1 . 2]" 1
828 1 56 TYR HB2 1 60 TYR HB2 5.200 . 5.200 3.176 3.017 3.291 . 0 0 "[ . 1 . 2]" 1
829 1 56 TYR HB2 1 60 TYR HB3 4.080 . 4.080 2.477 2.371 2.540 . 0 0 "[ . 1 . 2]" 1
830 1 53 ILE HA 1 58 ALA HA 3.630 . 3.630 3.347 2.850 3.541 . 0 0 "[ . 1 . 2]" 1
831 1 53 ILE HA 1 57 GLY HA2 4.050 . 4.050 2.835 2.671 3.206 . 0 0 "[ . 1 . 2]" 1
832 1 19 ILE MG 1 49 ALA MB 5.500 . 5.500 2.676 2.397 2.836 . 0 0 "[ . 1 . 2]" 1
833 1 19 ILE MD 1 49 ALA MB 5.500 . 5.500 1.974 1.873 2.034 . 0 0 "[ . 1 . 2]" 1
834 1 53 ILE H 1 61 ALA MB 3.960 . 3.960 3.366 3.240 3.528 . 0 0 "[ . 1 . 2]" 1
835 1 53 ILE HA 1 61 ALA MB 3.640 . 3.640 3.469 3.293 3.643 0.003 8 0 "[ . 1 . 2]" 1
836 1 53 ILE MG 1 61 ALA MB 3.500 . 3.500 1.988 1.897 2.050 . 0 0 "[ . 1 . 2]" 1
837 1 19 ILE HB 1 49 ALA MB 3.640 . 3.640 3.605 3.311 3.698 0.058 6 0 "[ . 1 . 2]" 1
838 1 27 THR MG 1 28 ILE HA 4.140 . 4.140 3.692 3.577 3.843 . 0 0 "[ . 1 . 2]" 1
839 1 28 ILE HA 1 32 VAL MG2 5.310 . 5.310 3.383 3.283 3.453 . 0 0 "[ . 1 . 2]" 1
840 1 32 VAL MG2 1 46 VAL HA 5.500 . 5.500 4.705 4.548 4.827 . 0 0 "[ . 1 . 2]" 1
841 1 28 ILE MD 1 50 LYS QE 3.430 . 3.430 2.568 1.972 3.423 . 0 0 "[ . 1 . 2]" 1
842 1 46 VAL MG1 1 50 LYS QE 4.080 . 4.080 2.961 2.016 4.146 0.066 8 0 "[ . 1 . 2]" 1
843 1 29 ILE HA 1 32 VAL HB 3.770 . 3.770 3.163 3.001 3.320 . 0 0 "[ . 1 . 2]" 1
844 1 48 THR HA 1 51 SER QB 4.030 . 4.030 2.811 2.566 2.986 . 0 0 "[ . 1 . 2]" 1
845 1 16 ILE MG 1 17 ASP HA 4.500 . 4.500 3.189 3.095 3.268 . 0 0 "[ . 1 . 2]" 1
846 1 35 VAL QG 1 36 VAL HA 4.370 . 4.370 3.224 3.087 3.417 . 0 0 "[ . 1 . 2]" 1
847 1 16 ILE MG 1 58 ALA HA 3.530 . 3.530 3.092 2.789 3.359 . 0 0 "[ . 1 . 2]" 1
848 1 33 THR HA 1 36 VAL MG2 3.340 . 3.340 2.478 2.176 2.806 . 0 0 "[ . 1 . 2]" 1
849 1 53 ILE HG13 1 54 LYS HA 3.410 . 3.410 3.361 3.258 3.441 0.031 2 0 "[ . 1 . 2]" 1
850 1 16 ILE MD 1 58 ALA HA 3.890 . 3.890 2.817 2.562 3.023 . 0 0 "[ . 1 . 2]" 1
851 1 16 ILE MD 1 62 ALA HA 4.120 . 4.120 2.572 2.344 2.745 . 0 0 "[ . 1 . 2]" 1
852 1 53 ILE MG 1 58 ALA HA 3.900 . 3.900 1.883 1.855 1.923 . 0 0 "[ . 1 . 2]" 1
853 1 32 VAL HA 1 35 VAL QG 3.480 . 3.480 3.186 2.934 3.392 . 0 0 "[ . 1 . 2]" 1
854 1 25 VAL MG1 1 43 ALA HA 3.730 . 3.730 2.663 2.270 3.492 . 0 0 "[ . 1 . 2]" 1
855 1 11 ALA HA 1 35 VAL QG 4.150 . 4.150 3.727 3.010 4.173 0.023 2 0 "[ . 1 . 2]" 1
856 1 23 SER HB2 1 27 THR MG 4.660 . 4.660 4.650 4.385 4.728 0.068 12 0 "[ . 1 . 2]" 1
857 1 31 LEU HB3 1 32 VAL HA 4.300 . 4.300 4.295 4.216 4.338 0.038 20 0 "[ . 1 . 2]" 1
858 1 28 ILE HA 1 31 LEU HB2 3.890 . 3.890 2.793 2.595 2.945 . 0 0 "[ . 1 . 2]" 1
859 1 32 VAL HA 1 35 VAL HB 3.730 . 3.730 2.876 2.617 3.106 . 0 0 "[ . 1 . 2]" 1
860 1 18 ILE HA 1 21 THR MG 3.460 . 3.460 3.568 3.204 3.628 0.168 4 0 "[ . 1 . 2]" 1
861 1 2 THR MG 1 6 GLY HA2 4.760 . 4.760 4.022 3.814 4.165 . 0 0 "[ . 1 . 2]" 1
862 1 29 ILE HA 1 29 ILE HG13 3.770 . 3.770 3.006 2.877 3.720 . 0 0 "[ . 1 . 2]" 1
863 1 19 ILE MD 1 50 LYS HA 4.000 . 4.000 3.087 2.506 3.762 . 0 0 "[ . 1 . 2]" 1
864 1 16 ILE HA 1 19 ILE MD 3.380 . 3.380 2.259 2.177 2.352 . 0 0 "[ . 1 . 2]" 1
865 1 23 SER HB2 1 28 ILE MD 5.240 . 5.240 4.897 4.229 5.105 . 0 0 "[ . 1 . 2]" 1
866 1 10 TYR QD 1 14 LYS QE 5.500 . 5.500 4.121 3.364 4.822 . 0 0 "[ . 1 . 2]" 1
867 1 16 ILE MG 1 58 ALA MB 2.890 . 2.890 1.916 1.780 2.079 . 0 0 "[ . 1 . 2]" 1
868 1 16 ILE MG 1 53 ILE MG 5.210 . 5.210 2.907 2.491 3.295 . 0 0 "[ . 1 . 2]" 1
869 1 16 ILE MG 1 53 ILE MD 5.500 . 5.500 3.638 3.257 4.096 . 0 0 "[ . 1 . 2]" 1
870 1 16 ILE HG13 1 16 ILE MG 3.300 . 3.300 2.355 2.311 2.388 . 0 0 "[ . 1 . 2]" 1
871 1 16 ILE H 1 62 ALA HA 5.500 . 5.500 5.101 4.948 5.282 . 0 0 "[ . 1 . 2]" 1
872 1 49 ALA MB 1 52 LEU MD1 3.840 . 3.840 3.377 3.282 3.538 . 0 0 "[ . 1 . 2]" 1
873 1 52 LEU MD1 1 61 ALA MB 4.100 . 4.100 2.939 2.783 3.109 . 0 0 "[ . 1 . 2]" 1
874 1 12 ALA HA 1 15 VAL HB 3.640 . 3.640 2.771 2.654 2.963 . 0 0 "[ . 1 . 2]" 1
875 1 41 ILE HA 1 41 ILE MD 4.130 . 4.130 2.929 2.107 3.229 . 0 0 "[ . 1 . 2]" 1
876 1 48 THR MG 1 52 LEU HG 3.620 . 3.620 2.471 2.336 2.591 . 0 0 "[ . 1 . 2]" 1
877 1 45 ILE MD 1 48 THR MG 4.710 . 4.710 4.079 3.851 4.266 . 0 0 "[ . 1 . 2]" 1
878 1 48 THR MG 1 49 ALA MB 4.430 . 4.430 4.039 3.984 4.136 . 0 0 "[ . 1 . 2]" 1
879 1 2 THR MG 1 12 ALA MB 5.500 . 5.500 3.794 3.589 3.963 . 0 0 "[ . 1 . 2]" 1
880 1 25 VAL HA 1 28 ILE MD 3.170 . 3.170 2.163 1.921 2.321 . 0 0 "[ . 1 . 2]" 1
881 1 23 SER HB2 1 27 THR HB 4.800 . 4.800 4.708 4.446 4.833 0.033 12 0 "[ . 1 . 2]" 1
882 1 8 SER HB2 1 9 SER QB 4.460 . 4.460 4.268 4.043 4.474 0.014 6 0 "[ . 1 . 2]" 1
883 1 15 VAL HA 1 18 ILE HB 3.590 . 3.590 2.925 2.790 3.098 . 0 0 "[ . 1 . 2]" 1
884 1 18 ILE MG 1 32 VAL HA 3.980 . 3.980 3.223 2.924 3.594 . 0 0 "[ . 1 . 2]" 1
885 1 18 ILE MG 1 19 ILE HA 3.560 . 3.560 3.421 3.266 3.530 . 0 0 "[ . 1 . 2]" 1
886 1 2 THR HA 1 5 LEU QD 3.870 . 3.870 3.971 3.948 3.991 0.121 20 0 "[ . 1 . 2]" 1
887 1 29 ILE MD 1 42 THR HA 4.610 . 4.610 3.641 2.526 4.023 . 0 0 "[ . 1 . 2]" 1
888 1 2 THR HA 1 7 ILE MD 3.620 . 3.620 3.262 3.121 3.391 . 0 0 "[ . 1 . 2]" 1
889 1 25 VAL HA 1 25 VAL MG2 3.170 . 3.170 2.406 2.350 2.506 . 0 0 "[ . 1 . 2]" 1
890 1 15 VAL HA 1 32 VAL MG1 3.370 . 3.370 2.481 2.347 2.652 . 0 0 "[ . 1 . 2]" 1
891 1 29 ILE HA 1 32 VAL MG2 3.120 . 3.120 3.151 3.122 3.178 0.058 4 0 "[ . 1 . 2]" 1
892 1 14 LYS HA 1 16 ILE H 5.240 . 5.240 4.423 4.263 4.578 . 0 0 "[ . 1 . 2]" 1
893 1 52 LEU MD2 1 53 ILE H 5.500 . 5.500 4.729 4.640 4.813 . 0 0 "[ . 1 . 2]" 1
894 1 19 ILE H 1 21 THR MG 5.500 . 5.500 5.487 5.345 5.521 0.021 2 0 "[ . 1 . 2]" 1
895 1 14 LYS HB3 1 16 ILE H 5.500 . 5.500 5.536 5.507 5.580 0.080 20 0 "[ . 1 . 2]" 1
896 1 2 THR H 1 5 LEU QD 5.260 . 5.260 4.306 4.235 4.406 . 0 0 "[ . 1 . 2]" 1
897 1 15 VAL H 1 16 ILE HB 5.240 . 5.240 4.907 4.765 5.052 . 0 0 "[ . 1 . 2]" 1
898 1 15 VAL H 1 16 ILE HG12 5.500 . 5.500 4.508 4.383 4.593 . 0 0 "[ . 1 . 2]" 1
899 1 16 ILE MD 1 53 ILE H 5.500 . 5.500 5.300 4.996 5.508 0.008 17 0 "[ . 1 . 2]" 1
900 1 45 ILE HA 1 64 TRP HZ2 5.500 . 5.500 4.981 4.713 5.212 . 0 0 "[ . 1 . 2]" 1
901 1 16 ILE MD 1 19 ILE H 5.500 . 5.500 5.144 5.022 5.243 . 0 0 "[ . 1 . 2]" 1
902 1 7 ILE MD 1 15 VAL H 5.500 . 5.500 4.543 4.351 4.837 . 0 0 "[ . 1 . 2]" 1
903 1 15 VAL H 1 16 ILE MD 5.500 . 5.500 5.416 5.271 5.502 0.002 2 0 "[ . 1 . 2]" 1
904 1 12 ALA MB 1 15 VAL H 4.990 . 4.990 4.577 4.511 4.672 . 0 0 "[ . 1 . 2]" 1
905 1 45 ILE MD 1 64 TRP HE3 5.430 . 5.430 5.197 4.954 5.435 0.005 3 0 "[ . 1 . 2]" 1
906 1 16 ILE MD 1 64 TRP HE3 5.140 . 5.140 5.068 4.833 5.163 0.023 17 0 "[ . 1 . 2]" 1
907 1 48 THR MG 1 64 TRP HD1 5.500 . 5.500 5.350 5.201 5.443 . 0 0 "[ . 1 . 2]" 1
908 1 52 LEU HG 1 60 TYR QD 5.500 . 5.500 4.978 4.880 5.064 . 0 0 "[ . 1 . 2]" 1
909 1 48 THR HB 1 64 TRP HZ3 5.250 . 5.250 4.097 3.948 4.212 . 0 0 "[ . 1 . 2]" 1
910 1 49 ALA HA 1 64 TRP HE3 5.500 . 5.500 4.307 4.094 4.477 . 0 0 "[ . 1 . 2]" 1
911 1 1 LEU HG 1 62 ALA HA 5.070 . 5.070 3.726 3.441 4.097 . 0 0 "[ . 1 . 2]" 1
912 1 43 ALA HA 1 46 VAL MG2 3.250 . 3.250 2.926 2.671 3.046 . 0 0 "[ . 1 . 2]" 1
913 1 50 LYS HA 1 53 ILE HG13 3.640 . 3.640 3.397 3.201 3.491 . 0 0 "[ . 1 . 2]" 1
914 1 16 ILE HA 1 19 ILE MG 3.860 . 3.860 3.825 3.740 3.878 0.018 11 0 "[ . 1 . 2]" 1
915 1 15 VAL MG1 1 16 ILE HA 3.870 . 3.870 3.493 3.419 3.551 . 0 0 "[ . 1 . 2]" 1
916 1 1 LEU HA 1 5 LEU QD 3.790 . 3.790 2.785 2.703 2.863 . 0 0 "[ . 1 . 2]" 1
917 1 7 ILE MD 1 12 ALA HA 3.070 . 3.070 2.375 2.237 2.566 . 0 0 "[ . 1 . 2]" 1
918 1 32 VAL MG2 1 41 ILE HB 3.580 . 3.580 3.559 3.420 3.627 0.047 17 0 "[ . 1 . 2]" 1
919 1 32 VAL MG1 1 41 ILE HB 3.420 . 3.420 2.250 2.060 2.562 . 0 0 "[ . 1 . 2]" 1
920 1 28 ILE HB 1 46 VAL MG2 3.710 . 3.710 3.047 2.801 3.427 . 0 0 "[ . 1 . 2]" 1
921 1 35 VAL HB 1 36 VAL MG1 3.740 . 3.740 2.907 2.677 3.115 . 0 0 "[ . 1 . 2]" 1
922 1 1 LEU HB3 1 5 LEU QD 3.020 . 3.020 2.220 2.100 2.333 . 0 0 "[ . 1 . 2]" 1
923 1 32 VAL MG1 1 41 ILE MG 3.410 . 3.410 2.242 2.065 2.394 . 0 0 "[ . 1 . 2]" 1
924 1 32 VAL MG1 1 41 ILE MD 3.620 . 3.620 2.369 2.021 3.339 . 0 0 "[ . 1 . 2]" 1
925 1 28 ILE MG 1 32 VAL MG2 3.290 . 3.290 2.042 1.929 2.271 . 0 0 "[ . 1 . 2]" 1
926 1 32 VAL MG2 1 41 ILE MG 3.750 . 3.750 2.512 2.392 2.798 . 0 0 "[ . 1 . 2]" 1
927 1 15 VAL MG1 1 32 VAL MG1 3.170 . 3.170 2.029 1.911 2.151 . 0 0 "[ . 1 . 2]" 1
928 1 1 LEU QD 1 49 ALA MB 3.780 . 3.780 2.231 2.077 2.354 . 0 0 "[ . 1 . 2]" 1
929 1 13 LYS HA 1 16 ILE HB 3.500 . 3.500 2.589 2.339 3.004 . 0 0 "[ . 1 . 2]" 1
930 1 51 SER HA 1 54 LYS QB 3.850 . 3.850 2.670 2.404 3.000 . 0 0 "[ . 1 . 2]" 1
931 1 28 ILE HA 1 31 LEU QD 3.550 . 3.550 2.732 2.307 3.016 . 0 0 "[ . 1 . 2]" 1
932 1 28 ILE MG 1 29 ILE HA 4.240 . 4.240 3.426 3.318 3.563 . 0 0 "[ . 1 . 2]" 1
933 1 29 ILE HA 1 41 ILE MG 4.710 . 4.710 3.610 3.352 3.996 . 0 0 "[ . 1 . 2]" 1
934 1 1 LEU HG 1 16 ILE MD 3.680 . 3.680 3.390 3.190 3.485 . 0 0 "[ . 1 . 2]" 1
935 1 14 LYS HB2 1 15 VAL MG2 3.820 . 3.820 3.355 3.179 3.595 . 0 0 "[ . 1 . 2]" 1
936 1 14 LYS HB2 1 35 VAL QG 3.960 . 3.960 2.895 2.214 3.266 . 0 0 "[ . 1 . 2]" 1
937 1 14 LYS QD 1 35 VAL QG 3.770 . 3.770 2.867 2.279 3.745 . 0 0 "[ . 1 . 2]" 1
938 1 32 VAL MG2 1 46 VAL MG2 3.720 . 3.720 2.927 2.805 3.036 . 0 0 "[ . 1 . 2]" 1
939 1 18 ILE MD 1 32 VAL MG2 3.520 . 3.520 2.470 2.266 2.616 . 0 0 "[ . 1 . 2]" 1
940 1 32 VAL MG1 1 36 VAL MG2 5.500 . 5.500 2.326 2.021 2.756 . 0 0 "[ . 1 . 2]" 1
941 1 32 VAL MG1 1 41 ILE QG 5.500 . 5.500 2.127 1.807 2.386 . 0 0 "[ . 1 . 2]" 1
942 1 48 THR HB 1 52 LEU MD1 4.010 . 4.010 3.944 3.825 4.030 0.020 7 0 "[ . 1 . 2]" 1
943 1 52 LEU MD1 1 61 ALA HA 4.250 . 4.250 2.931 2.815 3.064 . 0 0 "[ . 1 . 2]" 1
944 1 51 SER QB 1 52 LEU MD1 4.780 . 4.780 4.671 4.541 4.786 0.006 20 0 "[ . 1 . 2]" 1
945 1 1 LEU QD 1 15 VAL HA 5.060 . 5.060 4.325 4.242 4.479 . 0 0 "[ . 1 . 2]" 1
946 1 15 VAL HA 1 18 ILE MG 5.500 . 5.500 4.285 4.128 4.409 . 0 0 "[ . 1 . 2]" 1
947 1 29 ILE HA 1 46 VAL MG1 5.500 . 5.500 4.628 4.453 4.906 . 0 0 "[ . 1 . 2]" 1
948 1 1 LEU QD 1 16 ILE HG12 2.740 . 2.740 2.543 2.378 2.677 . 0 0 "[ . 1 . 2]" 1
949 1 48 THR MG 1 51 SER QB 4.330 . 4.330 3.700 3.546 3.819 . 0 0 "[ . 1 . 2]" 1
950 1 7 ILE HA 1 7 ILE MG 3.180 . 3.180 2.333 2.300 2.373 . 0 0 "[ . 1 . 2]" 1
951 1 41 ILE MG 1 45 ILE HB 3.680 . 3.680 2.188 2.123 2.343 . 0 0 "[ . 1 . 2]" 1
952 1 5 LEU HB2 1 7 ILE MD 3.590 . 3.590 2.930 2.821 2.989 . 0 0 "[ . 1 . 2]" 1
953 1 15 VAL MG1 1 32 VAL MG2 3.370 . 3.370 2.692 2.570 2.787 . 0 0 "[ . 1 . 2]" 1
954 1 1 LEU HB3 1 7 ILE MD 3.290 . 3.290 2.261 2.090 2.408 . 0 0 "[ . 1 . 2]" 1
955 1 10 TYR QD 1 14 LYS QG 3.080 . 3.080 2.672 2.372 3.096 0.016 6 0 "[ . 1 . 2]" 1
956 1 10 TYR QE 1 14 LYS QG 3.770 . 3.770 2.919 2.494 3.550 . 0 0 "[ . 1 . 2]" 1
957 1 13 LYS HA 1 13 LYS QG 3.490 . 3.490 2.599 2.327 3.004 . 0 0 "[ . 1 . 2]" 1
958 1 13 LYS QG 1 14 LYS H 5.340 . 5.340 3.769 3.405 3.959 . 0 0 "[ . 1 . 2]" 1
959 1 14 LYS H 1 14 LYS QG 2.780 . 2.780 2.278 2.056 2.521 . 0 0 "[ . 1 . 2]" 1
960 1 14 LYS QG 1 15 VAL H 4.570 . 4.570 3.988 3.776 4.188 . 0 0 "[ . 1 . 2]" 1
961 1 16 ILE H 1 19 ILE QG 5.340 . 5.340 4.032 3.938 4.090 . 0 0 "[ . 1 . 2]" 1
962 1 16 ILE HA 1 19 ILE QG 3.470 . 3.470 2.031 1.950 2.098 . 0 0 "[ . 1 . 2]" 1
963 1 16 ILE MG 1 19 ILE QG 4.060 . 4.060 3.426 3.281 3.482 . 0 0 "[ . 1 . 2]" 1
964 1 17 ASP H 1 17 ASP QB 2.310 . 2.310 2.270 2.207 2.309 . 0 0 "[ . 1 . 2]" 1
965 1 17 ASP QB 1 18 ILE H 3.750 . 3.750 2.552 2.349 2.716 . 0 0 "[ . 1 . 2]" 1
966 1 19 ILE H 1 19 ILE QG 2.370 . 2.370 2.188 2.150 2.235 . 0 0 "[ . 1 . 2]" 1
967 1 19 ILE HA 1 19 ILE QG 3.420 . 3.420 3.322 3.311 3.334 . 0 0 "[ . 1 . 2]" 1
968 1 19 ILE HB 1 50 LYS QG 5.340 . 5.340 2.988 1.955 4.786 . 0 0 "[ . 1 . 2]" 1
969 1 19 ILE QG 1 20 ASN H 3.230 . 3.230 2.389 2.273 2.458 . 0 0 "[ . 1 . 2]" 1
970 1 22 GLY H 1 22 GLY QA 2.340 . 2.340 2.188 2.161 2.207 . 0 0 "[ . 1 . 2]" 1
971 1 22 GLY QA 1 23 SER H 2.890 . 2.890 2.192 2.038 2.743 . 0 0 "[ . 1 . 2]" 1
972 1 22 GLY QA 1 28 ILE QG 5.340 . 5.340 2.113 1.879 3.620 . 0 0 "[ . 1 . 2]" 1
973 1 28 ILE H 1 29 ILE QG 4.220 . 4.220 4.125 4.003 4.240 0.020 14 0 "[ . 1 . 2]" 1
974 1 29 ILE H 1 29 ILE QG 2.390 . 2.390 1.948 1.834 2.104 . 0 0 "[ . 1 . 2]" 1
975 1 29 ILE HA 1 29 ILE QG 3.280 . 3.280 2.494 2.409 2.856 . 0 0 "[ . 1 . 2]" 1
976 1 29 ILE QG 1 43 ALA HA 4.560 . 4.560 2.804 2.534 3.289 . 0 0 "[ . 1 . 2]" 1
977 1 29 ILE QG 1 46 VAL MG2 4.220 . 4.220 2.088 1.926 2.822 . 0 0 "[ . 1 . 2]" 1
978 1 33 THR MG 1 38 GLY QA 4.850 . 4.850 2.842 1.798 4.452 . 0 0 "[ . 1 . 2]" 1
979 1 36 VAL MG2 1 39 GLY QA 5.340 . 5.340 4.819 3.690 5.419 0.079 15 0 "[ . 1 . 2]" 1
980 1 37 GLY QA 1 38 GLY H 2.560 . 2.560 2.421 2.174 2.599 0.039 12 0 "[ . 1 . 2]" 1
981 1 38 GLY QA 1 39 GLY H 2.740 . 2.740 2.395 2.114 2.856 0.116 5 0 "[ . 1 . 2]" 1
982 1 38 GLY QA 1 40 LEU H 4.400 . 4.400 3.136 2.866 3.683 . 0 0 "[ . 1 . 2]" 1
983 1 39 GLY H 1 39 GLY QA 2.580 . 2.580 2.245 2.167 2.285 . 0 0 "[ . 1 . 2]" 1
984 1 39 GLY H 1 40 LEU QD 5.080 . 5.080 4.677 3.785 5.113 0.033 13 0 "[ . 1 . 2]" 1
985 1 40 LEU H 1 40 LEU QD 3.330 . 3.330 3.104 2.684 3.333 0.003 18 0 "[ . 1 . 2]" 1
986 1 40 LEU HA 1 40 LEU QD 3.850 . 3.850 2.069 2.031 2.161 . 0 0 "[ . 1 . 2]" 1
987 1 49 ALA H 1 50 LYS QB 5.340 . 5.340 4.832 4.478 5.237 . 0 0 "[ . 1 . 2]" 1
988 1 50 LYS H 1 50 LYS QB 2.530 . 2.530 2.442 2.293 2.591 0.061 11 0 "[ . 1 . 2]" 1
989 1 50 LYS H 1 50 LYS QG 3.020 . 3.020 2.443 2.275 2.716 . 0 0 "[ . 1 . 2]" 1
990 1 50 LYS HA 1 50 LYS QG 3.530 . 3.530 2.685 2.303 3.394 . 0 0 "[ . 1 . 2]" 1
991 1 50 LYS QB 1 51 SER H 3.790 . 3.790 2.974 2.536 3.749 . 0 0 "[ . 1 . 2]" 1
992 1 50 LYS QB 1 51 SER HA 5.340 . 5.340 4.020 3.737 4.564 . 0 0 "[ . 1 . 2]" 1
993 1 50 LYS QE 1 50 LYS QG 3.140 . 3.140 2.388 2.118 2.849 . 0 0 "[ . 1 . 2]" 1
994 1 50 LYS QG 1 51 SER H 5.340 . 5.340 3.837 2.492 4.379 . 0 0 "[ . 1 . 2]" 1
995 1 52 LEU HA 1 55 LYS QD 5.340 . 5.340 3.011 2.550 3.287 . 0 0 "[ . 1 . 2]" 1
996 1 54 LYS H 1 54 LYS QG 4.310 . 4.310 3.673 2.420 4.032 . 0 0 "[ . 1 . 2]" 1
997 1 55 LYS QD 1 56 TYR H 4.590 . 4.590 3.889 3.838 3.963 . 0 0 "[ . 1 . 2]" 1
998 1 55 LYS QD 1 56 TYR QD 3.540 . 3.540 3.574 3.538 3.633 0.093 5 0 "[ . 1 . 2]" 1
999 1 59 LYS H 1 59 LYS QB 2.420 . 2.420 2.263 2.195 2.326 . 0 0 "[ . 1 . 2]" 1
1000 1 59 LYS H 1 59 LYS QG 4.390 . 4.390 3.993 3.944 4.094 . 0 0 "[ . 1 . 2]" 1
1001 1 59 LYS QB 1 60 TYR H 3.200 . 3.200 2.788 2.545 2.935 . 0 0 "[ . 1 . 2]" 1
1002 1 59 LYS QB 1 60 TYR HB2 5.340 . 5.340 4.439 4.135 4.594 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 93
_Distance_constraint_stats_list.Viol_count 241
_Distance_constraint_stats_list.Viol_total 212.664
_Distance_constraint_stats_list.Viol_max 0.175
_Distance_constraint_stats_list.Viol_rms 0.0217
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0057
_Distance_constraint_stats_list.Viol_average_violations_only 0.0441
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 THR 2.370 0.140 20 0 "[ . 1 . 2]"
1 3 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 ILE 2.361 0.140 20 0 "[ . 1 . 2]"
1 8 SER 0.086 0.027 18 0 "[ . 1 . 2]"
1 9 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ALA 0.086 0.027 18 0 "[ . 1 . 2]"
1 12 ALA 0.000 0.000 11 0 "[ . 1 . 2]"
1 13 LYS 0.001 0.001 16 0 "[ . 1 . 2]"
1 14 LYS 0.041 0.020 17 0 "[ . 1 . 2]"
1 15 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ASP 0.162 0.091 3 0 "[ . 1 . 2]"
1 18 ILE 0.041 0.020 17 0 "[ . 1 . 2]"
1 19 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 THR 0.161 0.091 3 0 "[ . 1 . 2]"
1 24 ALA 0.130 0.027 18 0 "[ . 1 . 2]"
1 25 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 ALA 0.450 0.067 2 0 "[ . 1 . 2]"
1 27 THR 0.269 0.029 15 0 "[ . 1 . 2]"
1 28 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ALA 0.739 0.067 2 0 "[ . 1 . 2]"
1 31 LEU 1.319 0.136 13 0 "[ . 1 . 2]"
1 32 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 ALA 0.289 0.036 7 0 "[ . 1 . 2]"
1 35 VAL 1.180 0.136 13 0 "[ . 1 . 2]"
1 36 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 GLY 1.711 0.175 5 0 "[ . 1 . 2]"
1 40 LEU 3.727 0.175 5 0 "[ . 1 . 2]"
1 42 THR 2.188 0.169 6 0 "[ . 1 . 2]"
1 43 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 GLY 0.002 0.002 11 0 "[ . 1 . 2]"
1 45 ILE 0.172 0.024 5 0 "[ . 1 . 2]"
1 46 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ALA 0.206 0.050 1 0 "[ . 1 . 2]"
1 48 THR 0.002 0.002 11 0 "[ . 1 . 2]"
1 49 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 LYS 0.968 0.098 11 0 "[ . 1 . 2]"
1 51 SER 0.324 0.050 1 0 "[ . 1 . 2]"
1 52 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 LYS 0.968 0.098 11 0 "[ . 1 . 2]"
1 55 LYS 0.118 0.049 19 0 "[ . 1 . 2]"
1 56 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 GLY 0.051 0.023 11 0 "[ . 1 . 2]"
1 58 ALA 0.019 0.008 13 0 "[ . 1 . 2]"
1 59 LYS 0.524 0.071 1 0 "[ . 1 . 2]"
1 60 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 ALA 0.051 0.023 11 0 "[ . 1 . 2]"
1 62 ALA 0.028 0.009 20 0 "[ . 1 . 2]"
1 63 ALA 0.524 0.071 1 0 "[ . 1 . 2]"
1 64 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 57 GLY O 1 61 ALA H 2.300 . 2.300 2.248 2.089 2.323 0.023 11 0 "[ . 1 . 2]" 2
2 1 57 GLY O 1 61 ALA N 3.300 . 3.300 3.197 3.044 3.275 . 0 0 "[ . 1 . 2]" 2
3 1 58 ALA O 1 62 ALA H 2.300 . 2.300 2.087 1.851 2.308 0.008 13 0 "[ . 1 . 2]" 2
4 1 58 ALA O 1 62 ALA N 3.300 . 3.300 2.985 2.786 3.194 . 0 0 "[ . 1 . 2]" 2
5 1 59 LYS O 1 63 ALA H 2.300 . 2.300 2.315 2.156 2.371 0.071 1 0 "[ . 1 . 2]" 2
6 1 59 LYS O 1 63 ALA N 3.300 . 3.300 3.241 3.059 3.306 0.006 1 0 "[ . 1 . 2]" 2
7 1 60 TYR O 1 64 TRP H 2.300 . 2.300 1.896 1.815 1.972 . 0 0 "[ . 1 . 2]" 2
8 1 60 TYR O 1 64 TRP N 3.300 . 3.300 2.847 2.770 2.926 . 0 0 "[ . 1 . 2]" 2
9 1 1 LEU N 1 61 ALA O 3.300 . 3.300 2.671 2.636 2.703 . 0 0 "[ . 1 . 2]" 2
10 1 2 THR H 1 62 ALA O 2.300 . 2.300 2.192 2.028 2.309 0.009 20 0 "[ . 1 . 2]" 2
11 1 2 THR N 1 62 ALA O 3.300 . 3.300 3.148 2.973 3.279 . 0 0 "[ . 1 . 2]" 2
12 1 3 ALA H 1 63 ALA O 2.300 . 2.300 1.945 1.830 2.078 . 0 0 "[ . 1 . 2]" 2
13 1 3 ALA N 1 63 ALA O 3.300 . 3.300 2.882 2.775 3.007 . 0 0 "[ . 1 . 2]" 2
14 1 1 LEU O 1 5 LEU H 2.300 . 2.300 1.853 1.807 1.928 . 0 0 "[ . 1 . 2]" 2
15 1 1 LEU O 1 5 LEU N 3.300 . 3.300 2.793 2.747 2.855 . 0 0 "[ . 1 . 2]" 2
16 1 2 THR O 1 6 GLY H 2.300 . 2.300 1.969 1.897 2.043 . 0 0 "[ . 1 . 2]" 2
17 1 2 THR O 1 6 GLY N 3.300 . 3.300 2.764 2.714 2.800 . 0 0 "[ . 1 . 2]" 2
18 1 2 THR O 1 7 ILE H 2.300 . 2.300 2.417 2.397 2.440 0.140 20 0 "[ . 1 . 2]" 2
19 1 2 THR O 1 7 ILE N 3.300 . 3.300 3.272 3.236 3.313 0.013 6 0 "[ . 1 . 2]" 2
20 1 8 SER OG 1 11 ALA H 2.300 . 2.300 2.197 1.934 2.327 0.027 18 0 "[ . 1 . 2]" 2
21 1 8 SER OG 1 11 ALA N 3.300 . 3.300 3.141 2.906 3.292 . 0 0 "[ . 1 . 2]" 2
22 1 8 SER O 1 12 ALA H 2.300 . 2.300 2.024 1.875 2.300 . 11 0 "[ . 1 . 2]" 2
23 1 8 SER O 1 12 ALA N 3.300 . 3.300 2.968 2.819 3.230 . 0 0 "[ . 1 . 2]" 2
24 1 9 SER O 1 13 LYS H 2.300 . 2.300 2.038 1.864 2.298 . 0 0 "[ . 1 . 2]" 2
25 1 9 SER O 1 13 LYS N 3.300 . 3.300 2.941 2.815 3.207 . 0 0 "[ . 1 . 2]" 2
26 1 10 TYR O 1 14 LYS H 2.300 . 2.300 2.053 1.899 2.269 . 0 0 "[ . 1 . 2]" 2
27 1 10 TYR O 1 14 LYS N 3.300 . 3.300 2.981 2.848 3.170 . 0 0 "[ . 1 . 2]" 2
28 1 11 ALA O 1 15 VAL H 2.300 . 2.300 1.850 1.808 1.908 . 0 0 "[ . 1 . 2]" 2
29 1 11 ALA O 1 15 VAL N 3.300 . 3.300 2.820 2.762 2.886 . 0 0 "[ . 1 . 2]" 2
30 1 12 ALA O 1 16 ILE H 2.300 . 2.300 1.893 1.790 2.019 . 0 0 "[ . 1 . 2]" 2
31 1 12 ALA O 1 16 ILE N 3.300 . 3.300 2.841 2.726 2.964 . 0 0 "[ . 1 . 2]" 2
32 1 13 LYS O 1 17 ASP H 2.300 . 2.300 2.087 1.891 2.301 0.001 16 0 "[ . 1 . 2]" 2
33 1 13 LYS O 1 17 ASP N 3.300 . 3.300 3.007 2.849 3.213 . 0 0 "[ . 1 . 2]" 2
34 1 14 LYS O 1 18 ILE H 2.300 . 2.300 2.157 1.991 2.320 0.020 17 0 "[ . 1 . 2]" 2
35 1 14 LYS O 1 18 ILE N 3.300 . 3.300 3.082 2.932 3.244 . 0 0 "[ . 1 . 2]" 2
36 1 15 VAL O 1 19 ILE H 2.300 . 2.300 1.794 1.759 1.884 . 0 0 "[ . 1 . 2]" 2
37 1 15 VAL O 1 19 ILE N 3.300 . 3.300 2.780 2.747 2.868 . 0 0 "[ . 1 . 2]" 2
38 1 16 ILE O 1 20 ASN H 2.300 . 2.300 2.097 1.871 2.186 . 0 0 "[ . 1 . 2]" 2
39 1 16 ILE O 1 20 ASN N 3.300 . 3.300 2.923 2.690 3.020 . 0 0 "[ . 1 . 2]" 2
40 1 17 ASP O 1 21 THR H 2.300 . 2.300 2.126 1.903 2.391 0.091 3 0 "[ . 1 . 2]" 2
41 1 17 ASP O 1 21 THR N 3.300 . 3.300 2.967 2.808 3.269 . 0 0 "[ . 1 . 2]" 2
42 1 24 ALA O 1 27 THR H 2.300 . 2.300 2.299 2.235 2.327 0.027 18 0 "[ . 1 . 2]" 2
43 1 24 ALA O 1 27 THR N 3.300 . 3.300 2.976 2.912 3.020 . 0 0 "[ . 1 . 2]" 2
44 1 24 ALA O 1 28 ILE H 2.300 . 2.300 2.024 1.875 2.155 . 0 0 "[ . 1 . 2]" 2
45 1 24 ALA O 1 28 ILE N 3.300 . 3.300 2.942 2.797 3.093 . 0 0 "[ . 1 . 2]" 2
46 1 25 VAL O 1 29 ILE H 2.300 . 2.300 1.876 1.761 2.146 . 0 0 "[ . 1 . 2]" 2
47 1 25 VAL O 1 29 ILE N 3.300 . 3.300 2.855 2.748 3.127 . 0 0 "[ . 1 . 2]" 2
48 1 26 ALA O 1 30 ALA H 2.300 . 2.300 2.316 2.193 2.367 0.067 2 0 "[ . 1 . 2]" 2
49 1 26 ALA O 1 30 ALA N 3.300 . 3.300 3.219 3.050 3.300 0.000 2 0 "[ . 1 . 2]" 2
50 1 27 THR O 1 31 LEU H 2.300 . 2.300 2.224 1.916 2.329 0.029 15 0 "[ . 1 . 2]" 2
51 1 27 THR O 1 31 LEU N 3.300 . 3.300 3.111 2.801 3.235 . 0 0 "[ . 1 . 2]" 2
52 1 28 ILE O 1 32 VAL H 2.300 . 2.300 1.797 1.763 1.846 . 0 0 "[ . 1 . 2]" 2
53 1 28 ILE O 1 32 VAL N 3.300 . 3.300 2.773 2.741 2.815 . 0 0 "[ . 1 . 2]" 2
54 1 29 ILE O 1 33 THR H 2.300 . 2.300 1.917 1.821 2.033 . 0 0 "[ . 1 . 2]" 2
55 1 29 ILE O 1 33 THR N 3.300 . 3.300 2.857 2.755 2.972 . 0 0 "[ . 1 . 2]" 2
56 1 30 ALA O 1 34 ALA H 2.300 . 2.300 2.296 2.145 2.336 0.036 7 0 "[ . 1 . 2]" 2
57 1 30 ALA O 1 34 ALA N 3.300 . 3.300 3.083 2.909 3.154 . 0 0 "[ . 1 . 2]" 2
58 1 31 LEU O 1 35 VAL H 2.300 . 2.300 2.359 2.309 2.436 0.136 13 0 "[ . 1 . 2]" 2
59 1 31 LEU O 1 35 VAL N 3.300 . 3.300 3.139 3.052 3.222 . 0 0 "[ . 1 . 2]" 2
60 1 32 VAL O 1 36 VAL H 2.300 . 2.300 1.791 1.712 1.950 . 0 0 "[ . 1 . 2]" 2
61 1 32 VAL O 1 36 VAL N 3.300 . 3.300 2.771 2.697 2.917 . 0 0 "[ . 1 . 2]" 2
62 1 33 THR O 1 37 GLY H 2.300 . 2.300 2.140 1.904 2.278 . 0 0 "[ . 1 . 2]" 2
63 1 33 THR O 1 37 GLY N 3.300 . 3.300 2.892 2.710 3.007 . 0 0 "[ . 1 . 2]" 2
64 1 38 GLY O 1 40 LEU H 2.300 . 2.300 2.386 2.320 2.475 0.175 5 0 "[ . 1 . 2]" 2
65 1 38 GLY O 1 40 LEU N 3.300 . 3.300 2.978 2.802 3.140 . 0 0 "[ . 1 . 2]" 2
66 1 40 LEU O 1 42 THR H 2.300 . 2.300 2.401 2.345 2.469 0.169 6 0 "[ . 1 . 2]" 2
67 1 40 LEU O 1 42 THR N 3.300 . 3.300 2.990 2.918 3.065 . 0 0 "[ . 1 . 2]" 2
68 1 42 THR O 1 45 ILE H 2.300 . 2.300 2.285 2.169 2.324 0.024 5 0 "[ . 1 . 2]" 2
69 1 42 THR O 1 45 ILE N 3.300 . 3.300 2.923 2.865 2.968 . 0 0 "[ . 1 . 2]" 2
70 1 42 THR O 1 46 VAL H 2.300 . 2.300 1.829 1.759 1.892 . 0 0 "[ . 1 . 2]" 2
71 1 42 THR O 1 46 VAL N 3.300 . 3.300 2.802 2.733 2.863 . 0 0 "[ . 1 . 2]" 2
72 1 43 ALA O 1 47 ALA H 2.300 . 2.300 1.973 1.868 2.171 . 0 0 "[ . 1 . 2]" 2
73 1 43 ALA O 1 47 ALA N 3.300 . 3.300 2.937 2.830 3.126 . 0 0 "[ . 1 . 2]" 2
74 1 44 GLY O 1 48 THR H 2.300 . 2.300 2.120 1.971 2.302 0.002 11 0 "[ . 1 . 2]" 2
75 1 44 GLY O 1 48 THR N 3.300 . 3.300 3.044 2.895 3.217 . 0 0 "[ . 1 . 2]" 2
76 1 45 ILE O 1 49 ALA H 2.300 . 2.300 1.764 1.704 1.835 . 0 0 "[ . 1 . 2]" 2
77 1 45 ILE O 1 49 ALA N 3.300 . 3.300 2.733 2.681 2.804 . 0 0 "[ . 1 . 2]" 2
78 1 46 VAL O 1 50 LYS H 2.300 . 2.300 1.906 1.798 2.037 . 0 0 "[ . 1 . 2]" 2
79 1 46 VAL O 1 50 LYS N 3.300 . 3.300 2.869 2.761 2.994 . 0 0 "[ . 1 . 2]" 2
80 1 47 ALA O 1 51 SER H 2.300 . 2.300 2.298 2.168 2.350 0.050 1 0 "[ . 1 . 2]" 2
81 1 47 ALA O 1 51 SER N 3.300 . 3.300 3.135 3.000 3.179 . 0 0 "[ . 1 . 2]" 2
82 1 48 THR O 1 52 LEU H 2.300 . 2.300 1.899 1.825 1.969 . 0 0 "[ . 1 . 2]" 2
83 1 48 THR O 1 52 LEU N 3.300 . 3.300 2.828 2.751 2.916 . 0 0 "[ . 1 . 2]" 2
84 1 49 ALA O 1 53 ILE H 2.300 . 2.300 1.951 1.810 2.102 . 0 0 "[ . 1 . 2]" 2
85 1 49 ALA O 1 53 ILE N 3.300 . 3.300 2.884 2.769 2.985 . 0 0 "[ . 1 . 2]" 2
86 1 50 LYS O 1 54 LYS H 2.300 . 2.300 2.348 2.309 2.398 0.098 11 0 "[ . 1 . 2]" 2
87 1 50 LYS O 1 54 LYS N 3.300 . 3.300 3.146 3.017 3.246 . 0 0 "[ . 1 . 2]" 2
88 1 51 SER O 1 55 LYS H 2.300 . 2.300 2.234 1.927 2.349 0.049 19 0 "[ . 1 . 2]" 2
89 1 51 SER O 1 55 LYS N 3.300 . 3.300 3.122 2.856 3.234 . 0 0 "[ . 1 . 2]" 2
90 1 52 LEU O 1 56 TYR H 2.300 . 2.300 1.925 1.871 2.005 . 0 0 "[ . 1 . 2]" 2
91 1 52 LEU O 1 56 TYR N 3.300 . 3.300 2.743 2.693 2.782 . 0 0 "[ . 1 . 2]" 2
92 1 52 LEU O 1 57 GLY H 2.300 . 2.300 1.928 1.807 2.037 . 0 0 "[ . 1 . 2]" 2
93 1 52 LEU O 1 57 GLY N 3.300 . 3.300 2.891 2.779 2.982 . 0 0 "[ . 1 . 2]" 2
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