NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
390546 |
1om2   |
4496 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1om2
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 311
_Distance_constraint_stats_list.Viol_count 2663
_Distance_constraint_stats_list.Viol_total 5372.092
_Distance_constraint_stats_list.Viol_max 0.850
_Distance_constraint_stats_list.Viol_rms 0.0795
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0432
_Distance_constraint_stats_list.Viol_average_violations_only 0.1009
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ALA 0.054 0.054 11 0 "[ . 1 . 2]"
1 3 GLY 0.054 0.054 11 0 "[ . 1 . 2]"
1 4 LEU 0.441 0.065 1 0 "[ . 1 . 2]"
1 5 SER 7.794 0.850 8 3 "[ . + 1 - .* 2]"
1 6 LYS 4.528 0.850 8 3 "[ . + 1 - .* 2]"
1 7 LEU 0.257 0.091 19 0 "[ . 1 . 2]"
1 9 ASP 0.066 0.020 8 0 "[ . 1 . 2]"
1 10 LEU 1.125 0.110 18 0 "[ . 1 . 2]"
1 11 LYS 0.567 0.110 18 0 "[ . 1 . 2]"
1 12 ASP 0.412 0.082 19 0 "[ . 1 . 2]"
1 13 ALA 5.293 0.147 11 0 "[ . 1 . 2]"
1 14 GLU 2.217 0.117 15 0 "[ . 1 . 2]"
1 15 ALA 2.331 0.105 4 0 "[ . 1 . 2]"
1 16 VAL 4.449 0.147 11 0 "[ . 1 . 2]"
1 17 GLN 3.008 0.105 4 0 "[ . 1 . 2]"
1 18 LYS 2.365 0.115 1 0 "[ . 1 . 2]"
1 19 PHE 9.865 0.341 5 0 "[ . 1 . 2]"
1 20 PHE 8.547 0.313 6 0 "[ . 1 . 2]"
1 21 LEU 4.631 0.211 4 0 "[ . 1 . 2]"
1 22 GLU 5.814 0.241 12 0 "[ . 1 . 2]"
1 23 GLU 10.886 0.341 5 0 "[ . 1 . 2]"
1 24 ILE 22.089 0.473 3 0 "[ . 1 . 2]"
1 25 GLN 12.097 0.234 18 0 "[ . 1 . 2]"
1 26 LEU 10.820 0.301 4 0 "[ . 1 . 2]"
1 27 GLY 4.842 0.199 12 0 "[ . 1 . 2]"
1 28 GLU 16.242 0.473 3 0 "[ . 1 . 2]"
1 29 GLU 5.923 0.234 18 0 "[ . 1 . 2]"
1 30 LEU 4.372 0.301 4 0 "[ . 1 . 2]"
1 31 LEU 5.594 0.199 12 0 "[ . 1 . 2]"
1 32 ALA 3.145 0.129 4 0 "[ . 1 . 2]"
1 33 GLN 6.142 0.155 14 0 "[ . 1 . 2]"
1 34 GLY 1.259 0.073 5 0 "[ . 1 . 2]"
1 35 ASP 3.079 0.155 14 0 "[ . 1 . 2]"
1 36 TYR 3.015 0.141 20 0 "[ . 1 . 2]"
1 37 GLU 5.961 0.150 9 0 "[ . 1 . 2]"
1 38 LYS 4.681 0.150 9 0 "[ . 1 . 2]"
1 39 GLY 4.744 0.168 14 0 "[ . 1 . 2]"
1 40 VAL 7.739 0.296 4 0 "[ . 1 . 2]"
1 41 ASP 10.833 0.314 5 0 "[ . 1 . 2]"
1 42 HIS 3.376 0.123 9 0 "[ . 1 . 2]"
1 43 LEU 16.920 0.339 12 0 "[ . 1 . 2]"
1 44 THR 19.221 0.386 4 0 "[ . 1 . 2]"
1 45 ASN 25.201 0.475 20 0 "[ . 1 . 2]"
1 46 ALA 11.192 0.368 9 0 "[ . 1 . 2]"
1 47 ILE 11.798 0.339 12 0 "[ . 1 . 2]"
1 48 ALA 17.732 0.386 4 0 "[ . 1 . 2]"
1 49 VAL 18.962 0.475 20 0 "[ . 1 . 2]"
1 50 CYS 14.060 0.368 9 0 "[ . 1 . 2]"
1 51 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 GLN 2.832 0.142 18 0 "[ . 1 . 2]"
1 53 PRO 0.780 0.062 3 0 "[ . 1 . 2]"
1 54 GLN 4.233 0.142 18 0 "[ . 1 . 2]"
1 55 GLN 2.890 0.127 16 0 "[ . 1 . 2]"
1 56 LEU 6.309 0.146 6 0 "[ . 1 . 2]"
1 57 LEU 11.050 0.338 7 0 "[ . 1 . 2]"
1 58 GLN 2.193 0.080 3 0 "[ . 1 . 2]"
1 59 VAL 2.929 0.110 6 0 "[ . 1 . 2]"
1 60 LEU 7.835 0.256 19 0 "[ . 1 . 2]"
1 61 GLN 10.209 0.338 7 0 "[ . 1 . 2]"
1 62 GLN 1.600 0.089 2 0 "[ . 1 . 2]"
1 63 THR 1.821 0.082 16 0 "[ . 1 . 2]"
1 64 LEU 3.098 0.089 2 0 "[ . 1 . 2]"
1 66 PRO 1.347 0.108 18 0 "[ . 1 . 2]"
1 67 PRO 0.229 0.087 7 0 "[ . 1 . 2]"
1 68 VAL 4.531 0.166 5 0 "[ . 1 . 2]"
1 69 PHE 11.661 0.359 10 0 "[ . 1 . 2]"
1 70 GLN 3.139 0.087 7 0 "[ . 1 . 2]"
1 71 MET 6.632 0.259 17 0 "[ . 1 . 2]"
1 72 LEU 7.046 0.166 5 0 "[ . 1 . 2]"
1 73 LEU 14.562 0.359 10 0 "[ . 1 . 2]"
1 74 THR 4.149 0.314 10 0 "[ . 1 . 2]"
1 75 LYS 5.304 0.259 17 0 "[ . 1 . 2]"
1 76 LEU 0.659 0.236 16 0 "[ . 1 . 2]"
1 78 THR 5.958 0.348 2 0 "[ . 1 . 2]"
1 79 ILE 4.133 0.237 8 0 "[ . 1 . 2]"
1 80 SER 2.515 0.108 20 0 "[ . 1 . 2]"
1 81 GLN 2.109 0.124 13 0 "[ . 1 . 2]"
1 82 ARG 3.678 0.134 20 0 "[ . 1 . 2]"
1 83 ILE 2.518 0.109 18 0 "[ . 1 . 2]"
1 84 VAL 6.210 0.264 7 0 "[ . 1 . 2]"
1 85 SER 5.147 0.264 7 0 "[ . 1 . 2]"
1 86 ALA 3.345 0.140 15 0 "[ . 1 . 2]"
1 87 GLN 2.422 0.300 1 0 "[ . 1 . 2]"
1 88 SER 2.001 0.300 1 0 "[ . 1 . 2]"
1 89 LEU 2.131 0.124 12 0 "[ . 1 . 2]"
1 90 GLY 2.267 0.124 12 0 "[ . 1 . 2]"
1 91 GLU 0.003 0.003 5 0 "[ . 1 . 2]"
1 92 ASP 0.061 0.058 17 0 "[ . 1 . 2]"
1 93 ASP 0.058 0.058 17 0 "[ . 1 . 2]"
1 94 VAL 0.150 0.112 19 0 "[ . 1 . 2]"
2 7 LEU 0.248 0.072 5 0 "[ . 1 . 2]"
2 8 LEU 0.248 0.072 5 0 "[ . 1 . 2]"
2 10 TYR 0.456 0.060 15 0 "[ . 1 . 2]"
2 11 ALA 0.456 0.060 15 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 2 ALA HA 1 3 GLY H . . 2.650 2.517 2.339 2.704 0.054 11 0 "[ . 1 . 2]" 1
2 1 4 LEU H 1 4 LEU HA . . 2.900 2.815 2.314 2.942 0.042 14 0 "[ . 1 . 2]" 1
3 1 4 LEU HA 1 4 LEU HG . . 3.610 3.136 2.842 3.675 0.065 1 0 "[ . 1 . 2]" 1
4 1 5 SER H 1 5 SER HA . . 2.600 2.711 2.324 2.916 0.316 2 0 "[ . 1 . 2]" 1
5 1 5 SER HA 1 6 LYS H . . 2.400 2.559 2.068 3.250 0.850 8 3 "[ . + 1 - .* 2]" 1
6 1 6 LYS HA 1 7 LEU H . . 3.520 2.474 2.313 3.538 0.018 17 0 "[ . 1 . 2]" 1
7 1 7 LEU H 1 7 LEU HG . . 4.010 2.983 2.524 4.101 0.091 19 0 "[ . 1 . 2]" 1
8 1 7 LEU HA 1 7 LEU HG . . 3.760 3.062 2.871 3.260 . 0 0 "[ . 1 . 2]" 1
9 1 9 ASP HA 1 10 LEU H . . 3.550 3.331 2.313 3.570 0.020 8 0 "[ . 1 . 2]" 1
10 1 10 LEU H 1 10 LEU HG . . 4.040 3.719 3.152 4.075 0.035 2 0 "[ . 1 . 2]" 1
11 1 10 LEU H 1 11 LYS H . . 3.110 2.885 1.963 3.220 0.110 18 0 "[ . 1 . 2]" 1
12 1 10 LEU H 1 12 ASP H . . 3.800 3.680 3.049 3.882 0.082 19 0 "[ . 1 . 2]" 1
13 1 10 LEU HA 1 10 LEU HG . . 3.800 3.103 2.745 3.724 . 0 0 "[ . 1 . 2]" 1
14 1 11 LYS H 1 12 ASP H . . 2.830 2.550 2.323 2.707 . 0 0 "[ . 1 . 2]" 1
15 1 12 ASP HA 1 14 GLU H . . 4.630 4.142 3.887 4.507 . 0 0 "[ . 1 . 2]" 1
16 1 13 ALA H 1 13 ALA HA . . 2.930 2.910 2.862 2.963 0.033 19 0 "[ . 1 . 2]" 1
17 1 13 ALA H 1 14 GLU H . . 3.610 2.471 2.263 2.631 . 0 0 "[ . 1 . 2]" 1
18 1 13 ALA H 1 15 ALA H . . 3.990 4.006 3.773 4.066 0.076 17 0 "[ . 1 . 2]" 1
19 1 13 ALA HA 1 14 GLU H . . 3.410 3.508 3.481 3.527 0.117 15 0 "[ . 1 . 2]" 1
20 1 13 ALA HA 1 16 VAL H . . 3.240 3.366 3.351 3.387 0.147 11 0 "[ . 1 . 2]" 1
21 1 13 ALA HA 1 16 VAL HB . . 3.110 2.606 2.551 2.648 . 0 0 "[ . 1 . 2]" 1
22 1 14 GLU H 1 15 ALA H . . 2.800 2.729 2.615 2.848 0.048 15 0 "[ . 1 . 2]" 1
23 1 14 GLU HA 1 15 ALA H . . 3.530 3.536 3.505 3.553 0.023 1 0 "[ . 1 . 2]" 1
24 1 15 ALA H 1 16 VAL H . . 3.050 2.518 2.439 2.589 . 0 0 "[ . 1 . 2]" 1
25 1 15 ALA H 1 17 GLN H . . 3.830 3.901 3.873 3.935 0.105 4 0 "[ . 1 . 2]" 1
26 1 15 ALA HA 1 16 VAL H . . 3.580 3.484 3.441 3.520 . 0 0 "[ . 1 . 2]" 1
27 1 16 VAL H 1 16 VAL HB . . 2.830 2.218 2.184 2.281 . 0 0 "[ . 1 . 2]" 1
28 1 16 VAL H 1 17 GLN H . . 3.110 2.317 2.072 2.478 . 0 0 "[ . 1 . 2]" 1
29 1 16 VAL H 1 18 LYS H . . 3.830 3.926 3.892 3.945 0.115 1 0 "[ . 1 . 2]" 1
30 1 16 VAL HA 1 19 PHE H . . 3.670 3.472 3.049 3.680 0.010 9 0 "[ . 1 . 2]" 1
31 1 17 GLN H 1 17 GLN HA . . 2.870 2.870 2.842 2.896 0.026 10 0 "[ . 1 . 2]" 1
32 1 17 GLN H 1 18 LYS H . . 3.390 2.583 2.389 2.674 . 0 0 "[ . 1 . 2]" 1
33 1 17 GLN HA 1 20 PHE H . . 3.480 3.554 3.515 3.579 0.099 12 0 "[ . 1 . 2]" 1
34 1 18 LYS H 1 18 LYS HA . . 2.900 2.854 2.800 2.901 0.001 14 0 "[ . 1 . 2]" 1
35 1 18 LYS H 1 19 PHE H . . 3.330 2.832 2.711 2.955 . 0 0 "[ . 1 . 2]" 1
36 1 18 LYS H 1 20 PHE H . . 4.420 4.193 4.060 4.381 . 0 0 "[ . 1 . 2]" 1
37 1 18 LYS HA 1 19 PHE H . . 3.550 3.573 3.552 3.592 0.042 3 0 "[ . 1 . 2]" 1
38 1 19 PHE H 1 20 PHE H . . 3.360 2.724 2.573 2.871 . 0 0 "[ . 1 . 2]" 1
39 1 19 PHE HA 1 22 GLU H . . 3.110 3.146 3.075 3.178 0.068 10 0 "[ . 1 . 2]" 1
40 1 19 PHE O 1 23 GLU N . 2.700 2.700 2.896 2.818 3.017 0.317 5 0 "[ . 1 . 2]" 1
41 1 19 PHE O 1 23 GLU H . . 1.800 2.036 1.972 2.141 0.341 5 0 "[ . 1 . 2]" 1
42 1 20 PHE H 1 21 LEU H . . 3.140 2.807 2.682 2.872 . 0 0 "[ . 1 . 2]" 1
43 1 20 PHE H 1 22 GLU H . . 4.510 3.972 3.791 4.101 . 0 0 "[ . 1 . 2]" 1
44 1 20 PHE O 1 24 ILE N . 2.700 2.700 2.916 2.847 3.013 0.313 6 0 "[ . 1 . 2]" 1
45 1 20 PHE O 1 24 ILE H . . 1.800 1.938 1.863 2.035 0.235 15 0 "[ . 1 . 2]" 1
46 1 21 LEU H 1 21 LEU HG . . 3.450 3.459 3.365 3.501 0.051 11 0 "[ . 1 . 2]" 1
47 1 21 LEU H 1 22 GLU H . . 3.450 2.689 2.626 2.735 . 0 0 "[ . 1 . 2]" 1
48 1 21 LEU H 1 23 GLU H . . 4.200 4.108 4.002 4.216 0.016 11 0 "[ . 1 . 2]" 1
49 1 21 LEU HA 1 21 LEU HG . . 4.230 2.719 2.668 2.765 . 0 0 "[ . 1 . 2]" 1
50 1 21 LEU HA 1 22 GLU H . . 3.620 3.552 3.510 3.578 . 0 0 "[ . 1 . 2]" 1
51 1 21 LEU O 1 25 GLN N . 2.700 2.700 2.856 2.782 2.911 0.211 4 0 "[ . 1 . 2]" 1
52 1 21 LEU O 1 25 GLN H . . 1.800 1.854 1.792 1.901 0.101 7 0 "[ . 1 . 2]" 1
53 1 22 GLU H 1 23 GLU H . . 3.170 2.712 2.638 2.808 . 0 0 "[ . 1 . 2]" 1
54 1 22 GLU HA 1 23 GLU H . . 3.640 3.563 3.531 3.614 . 0 0 "[ . 1 . 2]" 1
55 1 22 GLU O 1 26 LEU N . 2.700 2.700 2.827 2.761 2.917 0.217 14 0 "[ . 1 . 2]" 1
56 1 22 GLU O 1 26 LEU H . . 1.800 1.925 1.827 2.041 0.241 12 0 "[ . 1 . 2]" 1
57 1 23 GLU H 1 24 ILE H . . 3.210 2.440 2.299 2.531 . 0 0 "[ . 1 . 2]" 1
58 1 23 GLU H 1 25 GLN H . . 3.860 3.971 3.939 4.000 0.140 16 0 "[ . 1 . 2]" 1
59 1 23 GLU HA 1 24 ILE H . . 3.580 3.538 3.507 3.575 . 0 0 "[ . 1 . 2]" 1
60 1 23 GLU HA 1 26 LEU H . . 3.730 3.314 3.038 3.423 . 0 0 "[ . 1 . 2]" 1
61 1 24 ILE H 1 24 ILE HB . . 2.870 2.254 2.192 2.402 . 0 0 "[ . 1 . 2]" 1
62 1 24 ILE H 1 25 GLN H . . 3.170 2.772 2.612 3.005 . 0 0 "[ . 1 . 2]" 1
63 1 24 ILE HB 1 25 GLN H . . 3.360 2.894 2.450 3.358 . 0 0 "[ . 1 . 2]" 1
64 1 24 ILE O 1 28 GLU N . 2.700 2.700 3.123 3.085 3.173 0.473 3 0 "[ . 1 . 2]" 1
65 1 24 ILE O 1 28 GLU H . . 1.800 2.128 2.091 2.182 0.382 4 0 "[ . 1 . 2]" 1
66 1 25 GLN H 1 26 LEU H . . 3.240 2.670 2.580 2.802 . 0 0 "[ . 1 . 2]" 1
67 1 25 GLN HA 1 26 LEU H . . 3.450 3.516 3.495 3.529 0.079 15 0 "[ . 1 . 2]" 1
68 1 25 GLN HA 1 28 GLU H . . 4.110 3.628 3.386 4.118 0.008 11 0 "[ . 1 . 2]" 1
69 1 25 GLN O 1 29 GLU N . 2.700 2.700 2.825 2.770 2.901 0.201 5 0 "[ . 1 . 2]" 1
70 1 25 GLN O 1 29 GLU H . . 1.800 1.891 1.828 2.034 0.234 18 0 "[ . 1 . 2]" 1
71 1 26 LEU H 1 27 GLY H . . 3.170 2.819 2.668 2.999 . 0 0 "[ . 1 . 2]" 1
72 1 26 LEU HA 1 29 GLU H . . 3.730 3.677 3.559 3.764 0.034 4 0 "[ . 1 . 2]" 1
73 1 26 LEU O 1 30 LEU N . 2.700 2.700 2.835 2.776 3.001 0.301 4 0 "[ . 1 . 2]" 1
74 1 26 LEU O 1 30 LEU H . . 1.800 1.884 1.842 2.025 0.225 4 0 "[ . 1 . 2]" 1
75 1 27 GLY H 1 28 GLU H . . 3.210 3.004 2.853 3.166 . 0 0 "[ . 1 . 2]" 1
76 1 27 GLY H 1 29 GLU H . . 4.170 4.095 3.975 4.192 0.022 4 0 "[ . 1 . 2]" 1
77 1 27 GLY O 1 31 LEU N . 2.700 2.700 2.869 2.837 2.899 0.199 12 0 "[ . 1 . 2]" 1
78 1 27 GLY O 1 31 LEU H . . 1.800 1.871 1.844 1.895 0.095 12 0 "[ . 1 . 2]" 1
79 1 28 GLU H 1 28 GLU HA . . 2.900 2.769 2.725 2.814 . 0 0 "[ . 1 . 2]" 1
80 1 28 GLU H 1 29 GLU H . . 3.360 2.987 2.869 3.103 . 0 0 "[ . 1 . 2]" 1
81 1 28 GLU HA 1 29 GLU H . . 3.450 3.511 3.487 3.550 0.100 4 0 "[ . 1 . 2]" 1
82 1 29 GLU HA 1 32 ALA H . . 3.110 3.115 3.063 3.146 0.036 12 0 "[ . 1 . 2]" 1
83 1 30 LEU H 1 31 LEU H . . 3.480 2.617 2.553 2.725 . 0 0 "[ . 1 . 2]" 1
84 1 30 LEU H 1 32 ALA H . . 4.720 3.868 3.802 4.033 . 0 0 "[ . 1 . 2]" 1
85 1 30 LEU HA 1 30 LEU HG . . 4.230 3.002 2.978 3.079 . 0 0 "[ . 1 . 2]" 1
86 1 31 LEU H 1 31 LEU HG . . 4.110 3.959 3.925 4.007 . 0 0 "[ . 1 . 2]" 1
87 1 31 LEU H 1 32 ALA H . . 3.050 2.509 2.442 2.573 . 0 0 "[ . 1 . 2]" 1
88 1 31 LEU H 1 33 GLN H . . 3.920 3.869 3.784 3.910 . 0 0 "[ . 1 . 2]" 1
89 1 31 LEU HA 1 32 ALA H . . 3.580 3.499 3.479 3.524 . 0 0 "[ . 1 . 2]" 1
90 1 31 LEU HA 1 33 GLN H . . 4.140 3.515 3.444 3.628 . 0 0 "[ . 1 . 2]" 1
91 1 31 LEU HA 1 34 GLY H . . 3.700 2.603 2.525 2.823 . 0 0 "[ . 1 . 2]" 1
92 1 31 LEU HA 1 35 ASP H . . 3.640 2.596 2.494 2.677 . 0 0 "[ . 1 . 2]" 1
93 1 31 LEU HG 1 36 TYR H . . 4.260 3.916 3.857 3.971 . 0 0 "[ . 1 . 2]" 1
94 1 31 LEU HG 1 39 GLY H . . 4.140 4.175 4.083 4.208 0.068 18 0 "[ . 1 . 2]" 1
95 1 32 ALA H 1 32 ALA HA . . 2.800 2.837 2.813 2.844 0.044 16 0 "[ . 1 . 2]" 1
96 1 32 ALA H 1 33 GLN H . . 2.930 2.666 2.617 2.767 . 0 0 "[ . 1 . 2]" 1
97 1 32 ALA HA 1 33 GLN H . . 3.360 3.468 3.458 3.489 0.129 4 0 "[ . 1 . 2]" 1
98 1 33 GLN H 1 34 GLY H . . 2.930 2.037 1.997 2.113 . 0 0 "[ . 1 . 2]" 1
99 1 33 GLN H 1 35 ASP H . . 3.330 3.466 3.445 3.485 0.155 14 0 "[ . 1 . 2]" 1
100 1 33 GLN HA 1 34 GLY H . . 3.420 3.483 3.476 3.493 0.073 5 0 "[ . 1 . 2]" 1
101 1 34 GLY H 1 35 ASP H . . 2.830 1.995 1.971 2.031 . 0 0 "[ . 1 . 2]" 1
102 1 35 ASP H 1 36 TYR H . . 3.760 3.559 3.450 3.689 . 0 0 "[ . 1 . 2]" 1
103 1 35 ASP HA 1 37 GLU H . . 3.450 3.433 3.275 3.508 0.058 20 0 "[ . 1 . 2]" 1
104 1 35 ASP HA 1 38 LYS H . . 4.970 3.889 3.805 3.992 . 0 0 "[ . 1 . 2]" 1
105 1 36 TYR H 1 37 GLU H . . 3.050 2.884 2.782 3.007 . 0 0 "[ . 1 . 2]" 1
106 1 36 TYR H 1 38 LYS H . . 4.350 4.386 4.360 4.407 0.057 3 0 "[ . 1 . 2]" 1
107 1 36 TYR HA 1 37 GLU H . . 3.360 3.475 3.455 3.501 0.141 20 0 "[ . 1 . 2]" 1
108 1 37 GLU H 1 37 GLU HA . . 2.900 2.838 2.799 2.887 . 0 0 "[ . 1 . 2]" 1
109 1 37 GLU H 1 38 LYS H . . 2.990 2.678 2.615 2.757 . 0 0 "[ . 1 . 2]" 1
110 1 37 GLU H 1 39 GLY H . . 3.860 3.879 3.741 3.925 0.065 5 0 "[ . 1 . 2]" 1
111 1 37 GLU HA 1 38 LYS H . . 3.360 3.496 3.476 3.510 0.150 9 0 "[ . 1 . 2]" 1
112 1 37 GLU HA 1 40 VAL HB . . 3.760 3.311 3.030 3.787 0.027 4 0 "[ . 1 . 2]" 1
113 1 38 LYS H 1 39 GLY H . . 3.080 2.553 2.343 2.719 . 0 0 "[ . 1 . 2]" 1
114 1 38 LYS HA 1 39 GLY H . . 3.520 3.543 3.528 3.564 0.044 10 0 "[ . 1 . 2]" 1
115 1 38 LYS HA 1 40 VAL H . . 4.040 4.079 4.033 4.113 0.073 14 0 "[ . 1 . 2]" 1
116 1 38 LYS HA 1 41 ASP H . . 3.730 3.219 3.148 3.337 . 0 0 "[ . 1 . 2]" 1
117 1 39 GLY H 1 40 VAL H . . 3.420 2.705 2.602 2.890 . 0 0 "[ . 1 . 2]" 1
118 1 39 GLY O 1 43 LEU N . 2.700 2.700 2.784 2.748 2.868 0.168 14 0 "[ . 1 . 2]" 1
119 1 39 GLY O 1 43 LEU H . . 1.800 1.862 1.827 1.935 0.135 3 0 "[ . 1 . 2]" 1
120 1 40 VAL H 1 40 VAL HB . . 2.990 2.501 2.391 2.584 . 0 0 "[ . 1 . 2]" 1
121 1 40 VAL H 1 41 ASP H . . 3.240 2.684 2.636 2.747 . 0 0 "[ . 1 . 2]" 1
122 1 40 VAL H 1 42 HIS H . . 4.290 4.292 4.096 4.335 0.045 19 0 "[ . 1 . 2]" 1
123 1 40 VAL HA 1 43 LEU H . . 3.580 3.646 3.627 3.683 0.103 5 0 "[ . 1 . 2]" 1
124 1 40 VAL HB 1 41 ASP H . . 3.330 2.626 2.531 2.773 . 0 0 "[ . 1 . 2]" 1
125 1 40 VAL O 1 44 THR N . 2.700 2.700 2.861 2.791 2.996 0.296 4 0 "[ . 1 . 2]" 1
126 1 40 VAL O 1 44 THR H . . 1.800 1.903 1.835 2.066 0.266 4 0 "[ . 1 . 2]" 1
127 1 41 ASP H 1 42 HIS H . . 3.140 2.727 2.540 2.805 . 0 0 "[ . 1 . 2]" 1
128 1 41 ASP H 1 43 LEU H . . 3.950 4.021 3.986 4.048 0.098 14 0 "[ . 1 . 2]" 1
129 1 41 ASP HA 1 42 HIS H . . 3.480 3.527 3.520 3.536 0.056 3 0 "[ . 1 . 2]" 1
130 1 41 ASP O 1 45 ASN N . 2.700 2.700 2.903 2.794 3.003 0.303 5 0 "[ . 1 . 2]" 1
131 1 41 ASP O 1 45 ASN H . . 1.800 2.021 1.909 2.114 0.314 5 0 "[ . 1 . 2]" 1
132 1 42 HIS H 1 42 HIS HD1 . . 4.170 3.392 2.702 3.958 . 0 0 "[ . 1 . 2]" 1
133 1 42 HIS H 1 43 LEU H . . 3.170 2.719 2.678 2.772 . 0 0 "[ . 1 . 2]" 1
134 1 42 HIS H 1 44 THR H . . 4.010 4.102 4.066 4.133 0.123 9 0 "[ . 1 . 2]" 1
135 1 42 HIS HA 1 43 LEU H . . 3.580 3.576 3.524 3.596 0.016 10 0 "[ . 1 . 2]" 1
136 1 42 HIS HA 1 44 THR H . . 4.450 4.423 4.326 4.531 0.081 14 0 "[ . 1 . 2]" 1
137 1 43 LEU H 1 43 LEU HA . . 2.900 2.912 2.895 2.929 0.029 8 0 "[ . 1 . 2]" 1
138 1 43 LEU H 1 44 THR H . . 3.420 2.494 2.436 2.564 . 0 0 "[ . 1 . 2]" 1
139 1 43 LEU H 1 45 ASN H . . 3.890 3.922 3.889 3.952 0.062 14 0 "[ . 1 . 2]" 1
140 1 43 LEU HG 1 44 THR H . . 4.510 4.519 4.477 4.546 0.036 11 0 "[ . 1 . 2]" 1
141 1 43 LEU HG 1 46 ALA H . . 4.540 4.570 4.548 4.594 0.054 14 0 "[ . 1 . 2]" 1
142 1 43 LEU O 1 47 ILE N . 2.700 2.700 2.973 2.916 3.039 0.339 12 0 "[ . 1 . 2]" 1
143 1 43 LEU O 1 47 ILE H . . 1.800 2.000 1.946 2.057 0.257 12 0 "[ . 1 . 2]" 1
144 1 44 THR H 1 44 THR HB . . 3.110 2.608 2.532 2.664 . 0 0 "[ . 1 . 2]" 1
145 1 44 THR H 1 45 ASN H . . 3.270 2.738 2.694 2.804 . 0 0 "[ . 1 . 2]" 1
146 1 44 THR HA 1 47 ILE HB . . 3.610 2.895 2.855 2.954 . 0 0 "[ . 1 . 2]" 1
147 1 44 THR HB 1 45 ASN H . . 3.270 2.855 2.777 2.952 . 0 0 "[ . 1 . 2]" 1
148 1 44 THR O 1 48 ALA N . 2.700 2.700 2.957 2.871 3.018 0.318 9 0 "[ . 1 . 2]" 1
149 1 44 THR O 1 48 ALA H . . 1.800 2.127 2.026 2.186 0.386 4 0 "[ . 1 . 2]" 1
150 1 45 ASN H 1 46 ALA H . . 3.110 2.616 2.576 2.689 . 0 0 "[ . 1 . 2]" 1
151 1 45 ASN H 1 47 ILE H . . 4.290 4.071 3.985 4.154 . 0 0 "[ . 1 . 2]" 1
152 1 45 ASN HA 1 46 ALA H . . 3.590 3.591 3.510 3.607 0.017 14 0 "[ . 1 . 2]" 1
153 1 45 ASN O 1 49 VAL N . 2.700 2.700 3.070 3.028 3.096 0.396 4 0 "[ . 1 . 2]" 1
154 1 45 ASN O 1 49 VAL H . . 1.800 2.229 2.158 2.275 0.475 20 0 "[ . 1 . 2]" 1
155 1 46 ALA H 1 47 ILE H . . 3.300 2.772 2.715 2.845 . 0 0 "[ . 1 . 2]" 1
156 1 46 ALA O 1 50 CYS N . 2.700 2.700 2.890 2.821 2.936 0.236 12 0 "[ . 1 . 2]" 1
157 1 46 ALA O 1 50 CYS H . . 1.800 2.134 2.090 2.168 0.368 9 0 "[ . 1 . 2]" 1
158 1 47 ILE H 1 47 ILE HB . . 3.210 2.482 2.456 2.514 . 0 0 "[ . 1 . 2]" 1
159 1 47 ILE H 1 48 ALA H . . 3.270 2.633 2.597 2.669 . 0 0 "[ . 1 . 2]" 1
160 1 47 ILE H 1 49 VAL H . . 4.510 4.223 4.198 4.255 . 0 0 "[ . 1 . 2]" 1
161 1 47 ILE HA 1 48 ALA H . . 3.360 3.477 3.469 3.484 0.124 11 0 "[ . 1 . 2]" 1
162 1 47 ILE HA 1 49 VAL H . . 4.420 4.056 3.959 4.135 . 0 0 "[ . 1 . 2]" 1
163 1 47 ILE HA 1 50 CYS H . . 3.640 3.045 2.945 3.130 . 0 0 "[ . 1 . 2]" 1
164 1 47 ILE HB 1 48 ALA H . . 3.170 2.861 2.725 2.972 . 0 0 "[ . 1 . 2]" 1
165 1 48 ALA H 1 49 VAL H . . 3.300 2.652 2.605 2.726 . 0 0 "[ . 1 . 2]" 1
166 1 48 ALA H 1 50 CYS H . . 3.730 3.849 3.832 3.872 0.142 14 0 "[ . 1 . 2]" 1
167 1 48 ALA HA 1 49 VAL H . . 3.450 3.515 3.508 3.522 0.072 15 0 "[ . 1 . 2]" 1
168 1 48 ALA HA 1 50 CYS H . . 4.290 4.268 4.194 4.300 0.010 4 0 "[ . 1 . 2]" 1
169 1 49 VAL H 1 49 VAL HB . . 3.610 3.685 3.672 3.698 0.088 15 0 "[ . 1 . 2]" 1
170 1 49 VAL H 1 50 CYS H . . 2.870 2.242 2.191 2.301 . 0 0 "[ . 1 . 2]" 1
171 1 49 VAL HA 1 50 CYS H . . 3.480 3.489 3.473 3.503 0.023 1 0 "[ . 1 . 2]" 1
172 1 50 CYS H 1 51 GLY H . . 3.760 2.465 2.384 2.529 . 0 0 "[ . 1 . 2]" 1
173 1 50 CYS H 1 52 GLN H . . 4.420 4.469 4.445 4.519 0.099 9 0 "[ . 1 . 2]" 1
174 1 51 GLY H 1 52 GLN H . . 2.930 2.591 2.429 2.775 . 0 0 "[ . 1 . 2]" 1
175 1 52 GLN HA 1 54 GLN H . . 3.830 3.923 3.897 3.972 0.142 18 0 "[ . 1 . 2]" 1
176 1 53 PRO HA 1 54 GLN H . . 3.480 3.519 3.498 3.542 0.062 3 0 "[ . 1 . 2]" 1
177 1 54 GLN H 1 55 GLN H . . 2.930 2.927 2.840 3.007 0.077 19 0 "[ . 1 . 2]" 1
178 1 54 GLN H 1 56 LEU H . . 4.420 4.328 4.188 4.442 0.022 12 0 "[ . 1 . 2]" 1
179 1 54 GLN H 1 57 LEU H . . 4.480 4.518 4.439 4.547 0.067 16 0 "[ . 1 . 2]" 1
180 1 54 GLN H 1 57 LEU HG . . 4.230 4.230 4.151 4.332 0.102 19 0 "[ . 1 . 2]" 1
181 1 54 GLN HA 1 55 GLN H . . 3.640 3.571 3.548 3.595 . 0 0 "[ . 1 . 2]" 1
182 1 54 GLN HA 1 56 LEU H . . 4.480 4.410 4.284 4.484 0.004 14 0 "[ . 1 . 2]" 1
183 1 54 GLN HA 1 57 LEU H . . 3.700 3.077 2.975 3.201 . 0 0 "[ . 1 . 2]" 1
184 1 54 GLN HA 1 58 GLN H . . 3.950 3.913 3.724 3.965 0.015 6 0 "[ . 1 . 2]" 1
185 1 55 GLN H 1 56 LEU H . . 3.140 2.676 2.568 2.745 . 0 0 "[ . 1 . 2]" 1
186 1 55 GLN H 1 57 LEU H . . 4.380 4.040 3.865 4.171 . 0 0 "[ . 1 . 2]" 1
187 1 55 GLN HA 1 56 LEU H . . 3.450 3.547 3.523 3.577 0.127 16 0 "[ . 1 . 2]" 1
188 1 55 GLN HA 1 58 GLN H . . 3.480 3.509 3.404 3.560 0.080 3 0 "[ . 1 . 2]" 1
189 1 56 LEU H 1 57 LEU H . . 3.170 2.742 2.638 2.808 . 0 0 "[ . 1 . 2]" 1
190 1 56 LEU HA 1 56 LEU HG . . 3.860 3.060 3.031 3.172 . 0 0 "[ . 1 . 2]" 1
191 1 56 LEU HA 1 57 LEU H . . 3.550 3.588 3.577 3.600 0.050 7 0 "[ . 1 . 2]" 1
192 1 56 LEU HA 1 59 VAL H . . 3.420 3.222 3.103 3.399 . 0 0 "[ . 1 . 2]" 1
193 1 56 LEU HA 1 59 VAL HB . . 3.790 2.774 2.738 2.831 . 0 0 "[ . 1 . 2]" 1
194 1 56 LEU O 1 60 LEU N . 2.700 2.700 2.785 2.682 2.840 0.140 6 0 "[ . 1 . 2]" 1
195 1 56 LEU O 1 60 LEU H . . 1.800 1.889 1.789 1.946 0.146 6 0 "[ . 1 . 2]" 1
196 1 57 LEU H 1 57 LEU HG . . 3.890 2.477 2.370 2.562 . 0 0 "[ . 1 . 2]" 1
197 1 57 LEU H 1 58 GLN H . . 3.210 2.734 2.623 2.861 . 0 0 "[ . 1 . 2]" 1
198 1 57 LEU H 1 59 VAL H . . 4.140 4.134 4.059 4.196 0.056 12 0 "[ . 1 . 2]" 1
199 1 57 LEU HA 1 57 LEU HG . . 4.110 3.447 3.159 3.608 . 0 0 "[ . 1 . 2]" 1
200 1 57 LEU HA 1 60 LEU H . . 3.520 3.175 3.022 3.284 . 0 0 "[ . 1 . 2]" 1
201 1 57 LEU HG 1 58 GLN H . . 5.100 4.509 4.338 4.692 . 0 0 "[ . 1 . 2]" 1
202 1 57 LEU O 1 61 GLN N . 2.700 2.700 2.907 2.728 3.014 0.314 4 0 "[ . 1 . 2]" 1
203 1 57 LEU O 1 61 GLN H . . 1.800 2.037 1.927 2.138 0.338 7 0 "[ . 1 . 2]" 1
204 1 58 GLN H 1 58 GLN HA . . 2.900 2.886 2.860 2.904 0.004 3 0 "[ . 1 . 2]" 1
205 1 58 GLN H 1 59 VAL H . . 3.140 2.577 2.532 2.642 . 0 0 "[ . 1 . 2]" 1
206 1 58 GLN H 1 60 LEU H . . 3.980 4.013 3.992 4.051 0.071 3 0 "[ . 1 . 2]" 1
207 1 58 GLN HA 1 59 VAL H . . 3.530 3.552 3.531 3.574 0.044 6 0 "[ . 1 . 2]" 1
208 1 58 GLN HA 1 61 GLN H . . 3.330 3.301 3.122 3.394 0.064 12 0 "[ . 1 . 2]" 1
209 1 59 VAL H 1 59 VAL HB . . 2.710 2.229 2.201 2.264 . 0 0 "[ . 1 . 2]" 1
210 1 59 VAL H 1 60 LEU H . . 3.110 2.726 2.640 2.821 . 0 0 "[ . 1 . 2]" 1
211 1 59 VAL H 1 61 GLN H . . 4.230 4.079 3.978 4.175 . 0 0 "[ . 1 . 2]" 1
212 1 59 VAL HA 1 61 GLN H . . 4.230 4.260 4.124 4.306 0.076 4 0 "[ . 1 . 2]" 1
213 1 59 VAL HA 1 62 GLN H . . 3.730 3.533 3.254 3.763 0.033 12 0 "[ . 1 . 2]" 1
214 1 59 VAL HB 1 60 LEU H . . 3.700 3.772 3.710 3.810 0.110 6 0 "[ . 1 . 2]" 1
215 1 60 LEU H 1 60 LEU HG . . 3.640 3.745 3.683 3.896 0.256 19 0 "[ . 1 . 2]" 1
216 1 60 LEU H 1 61 GLN H . . 3.300 2.451 2.331 2.548 . 0 0 "[ . 1 . 2]" 1
217 1 60 LEU H 1 62 GLN H . . 4.070 3.962 3.808 4.102 0.032 17 0 "[ . 1 . 2]" 1
218 1 61 GLN H 1 62 GLN H . . 3.110 2.480 2.307 2.678 . 0 0 "[ . 1 . 2]" 1
219 1 61 GLN H 1 63 THR H . . 4.260 4.120 3.842 4.340 0.080 16 0 "[ . 1 . 2]" 1
220 1 61 GLN HA 1 63 THR H . . 4.690 4.394 4.250 4.544 . 0 0 "[ . 1 . 2]" 1
221 1 62 GLN H 1 63 THR H . . 3.110 2.541 2.018 2.764 . 0 0 "[ . 1 . 2]" 1
222 1 62 GLN H 1 64 LEU H . . 3.980 4.052 4.024 4.069 0.089 2 0 "[ . 1 . 2]" 1
223 1 63 THR H 1 63 THR HB . . 3.110 2.674 2.507 2.890 . 0 0 "[ . 1 . 2]" 1
224 1 63 THR H 1 64 LEU H . . 2.960 2.472 2.386 2.716 . 0 0 "[ . 1 . 2]" 1
225 1 63 THR HA 1 63 THR HB . . 2.870 2.381 2.262 2.503 . 0 0 "[ . 1 . 2]" 1
226 1 63 THR HA 1 64 LEU H . . 3.480 3.526 3.501 3.562 0.082 16 0 "[ . 1 . 2]" 1
227 1 63 THR HB 1 64 LEU H . . 4.050 4.072 3.957 4.123 0.073 6 0 "[ . 1 . 2]" 1
228 1 64 LEU H 1 64 LEU HG . . 4.630 3.974 2.598 4.656 0.026 16 0 "[ . 1 . 2]" 1
229 1 66 PRO HA 1 69 PHE H . . 3.980 4.047 4.004 4.088 0.108 18 0 "[ . 1 . 2]" 1
230 1 67 PRO HA 1 70 GLN H . . 3.680 3.586 3.440 3.767 0.087 7 0 "[ . 1 . 2]" 1
231 1 68 VAL H 1 68 VAL HB . . 2.930 2.411 2.347 2.452 . 0 0 "[ . 1 . 2]" 1
232 1 68 VAL H 1 69 PHE H . . 3.110 2.671 2.359 2.771 . 0 0 "[ . 1 . 2]" 1
233 1 68 VAL H 1 70 GLN H . . 4.170 4.223 4.190 4.249 0.079 18 0 "[ . 1 . 2]" 1
234 1 68 VAL HA 1 71 MET H . . 3.360 3.284 3.077 3.404 0.044 20 0 "[ . 1 . 2]" 1
235 1 68 VAL HB 1 69 PHE H . . 3.110 2.596 2.480 2.953 . 0 0 "[ . 1 . 2]" 1
236 1 68 VAL O 1 72 LEU N . 2.700 2.700 2.775 2.701 2.854 0.154 5 0 "[ . 1 . 2]" 1
237 1 68 VAL O 1 72 LEU H . . 1.800 1.893 1.776 1.966 0.166 5 0 "[ . 1 . 2]" 1
238 1 69 PHE H 1 70 GLN H . . 3.210 2.913 2.787 3.069 . 0 0 "[ . 1 . 2]" 1
239 1 69 PHE H 1 71 MET H . . 4.290 4.241 4.111 4.318 0.028 11 0 "[ . 1 . 2]" 1
240 1 69 PHE HA 1 70 GLN H . . 3.480 3.541 3.503 3.564 0.084 19 0 "[ . 1 . 2]" 1
241 1 69 PHE HA 1 72 LEU H . . 3.860 3.226 3.073 3.401 . 0 0 "[ . 1 . 2]" 1
242 1 69 PHE O 1 73 LEU N . 2.700 2.700 2.951 2.888 3.036 0.336 20 0 "[ . 1 . 2]" 1
243 1 69 PHE O 1 73 LEU H . . 1.800 2.001 1.922 2.159 0.359 10 0 "[ . 1 . 2]" 1
244 1 70 GLN H 1 71 MET H . . 3.170 2.696 2.616 2.818 . 0 0 "[ . 1 . 2]" 1
245 1 70 GLN H 1 72 LEU H . . 3.930 3.960 3.904 3.995 0.065 7 0 "[ . 1 . 2]" 1
246 1 70 GLN HA 1 71 MET H . . 3.580 3.519 3.449 3.600 0.020 11 0 "[ . 1 . 2]" 1
247 1 71 MET H 1 72 LEU H . . 3.080 2.397 2.100 2.617 . 0 0 "[ . 1 . 2]" 1
248 1 71 MET H 1 73 LEU H . . 3.790 3.891 3.864 3.967 0.177 20 0 "[ . 1 . 2]" 1
249 1 71 MET HA 1 72 LEU H . . 3.580 3.563 3.532 3.589 0.009 11 0 "[ . 1 . 2]" 1
250 1 71 MET HA 1 74 THR HB . . 3.480 3.148 3.023 3.730 0.250 17 0 "[ . 1 . 2]" 1
251 1 71 MET O 1 75 LYS N . 2.700 2.700 2.748 2.676 2.861 0.161 2 0 "[ . 1 . 2]" 1
252 1 71 MET O 1 75 LYS H . . 1.800 1.932 1.830 2.059 0.259 17 0 "[ . 1 . 2]" 1
253 1 72 LEU H 1 72 LEU HG . . 3.890 3.929 3.651 4.024 0.134 16 0 "[ . 1 . 2]" 1
254 1 72 LEU H 1 74 THR H . . 3.890 3.881 3.753 3.947 0.057 14 0 "[ . 1 . 2]" 1
255 1 72 LEU HA 1 72 LEU HG . . 3.950 3.458 2.750 3.829 . 0 0 "[ . 1 . 2]" 1
256 1 72 LEU HA 1 73 LEU H . . 3.420 3.503 3.471 3.540 0.120 20 0 "[ . 1 . 2]" 1
257 1 72 LEU HA 1 75 LYS H . . 3.420 3.300 3.139 3.473 0.053 16 0 "[ . 1 . 2]" 1
258 1 73 LEU H 1 73 LEU HG . . 5.500 2.589 2.347 4.217 . 0 0 "[ . 1 . 2]" 1
259 1 73 LEU H 1 74 THR H . . 3.210 2.633 2.561 2.701 . 0 0 "[ . 1 . 2]" 1
260 1 73 LEU HA 1 73 LEU HG . . 4.010 3.424 2.865 3.664 . 0 0 "[ . 1 . 2]" 1
261 1 73 LEU HA 1 74 THR H . . 3.450 3.427 3.267 3.505 0.055 10 0 "[ . 1 . 2]" 1
262 1 73 LEU HA 1 75 LYS H . . 4.040 4.116 4.030 4.148 0.108 18 0 "[ . 1 . 2]" 1
263 1 73 LEU HG 1 74 THR H . . 4.970 4.473 3.963 5.074 0.104 16 0 "[ . 1 . 2]" 1
264 1 74 THR H 1 74 THR HA . . 2.830 2.925 2.861 2.947 0.117 4 0 "[ . 1 . 2]" 1
265 1 74 THR H 1 74 THR HB . . 3.150 2.668 2.489 3.464 0.314 10 0 "[ . 1 . 2]" 1
266 1 74 THR H 1 75 LYS H . . 3.170 2.316 2.046 2.479 . 0 0 "[ . 1 . 2]" 1
267 1 74 THR HA 1 74 THR HB . . 2.620 2.604 2.340 2.741 0.121 2 0 "[ . 1 . 2]" 1
268 1 76 LEU H 1 76 LEU HG . . 3.360 2.690 2.228 3.596 0.236 16 0 "[ . 1 . 2]" 1
269 1 76 LEU HA 1 76 LEU HG . . 3.790 2.958 2.717 3.715 . 0 0 "[ . 1 . 2]" 1
270 1 78 THR H 1 78 THR HB . . 2.990 2.649 2.457 3.039 0.049 11 0 "[ . 1 . 2]" 1
271 1 78 THR H 1 79 ILE H . . 3.140 2.087 1.845 2.521 . 0 0 "[ . 1 . 2]" 1
272 1 78 THR H 1 80 SER H . . 4.480 3.401 2.723 4.262 . 0 0 "[ . 1 . 2]" 1
273 1 78 THR HA 1 78 THR HB . . 2.710 2.902 2.463 3.058 0.348 2 0 "[ . 1 . 2]" 1
274 1 78 THR HA 1 79 ILE H . . 3.580 3.550 3.429 3.597 0.017 17 0 "[ . 1 . 2]" 1
275 1 78 THR HB 1 79 ILE H . . 3.270 2.865 2.516 3.507 0.237 8 0 "[ . 1 . 2]" 1
276 1 79 ILE H 1 79 ILE HB . . 2.900 2.582 2.075 2.878 . 0 0 "[ . 1 . 2]" 1
277 1 79 ILE H 1 80 SER H . . 3.080 2.734 2.501 3.069 . 0 0 "[ . 1 . 2]" 1
278 1 79 ILE HA 1 80 SER H . . 3.450 3.512 3.481 3.537 0.087 13 0 "[ . 1 . 2]" 1
279 1 79 ILE HA 1 82 ARG H . . 3.270 3.352 3.313 3.404 0.134 20 0 "[ . 1 . 2]" 1
280 1 79 ILE HB 1 80 SER H . . 3.240 2.593 2.449 3.348 0.108 20 0 "[ . 1 . 2]" 1
281 1 80 SER H 1 81 GLN H . . 3.210 2.890 2.785 2.990 . 0 0 "[ . 1 . 2]" 1
282 1 80 SER HA 1 83 ILE HB . . 3.450 3.508 3.467 3.546 0.096 17 0 "[ . 1 . 2]" 1
283 1 81 GLN HA 1 82 ARG H . . 3.420 3.522 3.484 3.544 0.124 13 0 "[ . 1 . 2]" 1
284 1 81 GLN HA 1 84 VAL HB . . 3.330 3.048 3.000 3.395 0.065 7 0 "[ . 1 . 2]" 1
285 1 83 ILE H 1 83 ILE HB . . 2.710 2.771 2.588 2.819 0.109 18 0 "[ . 1 . 2]" 1
286 1 83 ILE HA 1 84 VAL H . . 3.580 3.532 3.208 3.567 . 0 0 "[ . 1 . 2]" 1
287 1 83 ILE HB 1 84 VAL H . . 3.080 2.311 2.014 2.425 . 0 0 "[ . 1 . 2]" 1
288 1 84 VAL H 1 84 VAL HA . . 2.830 2.819 2.230 2.863 0.033 15 0 "[ . 1 . 2]" 1
289 1 84 VAL H 1 84 VAL HB . . 2.930 2.629 2.552 3.064 0.134 7 0 "[ . 1 . 2]" 1
290 1 84 VAL H 1 85 SER H . . 3.020 2.816 2.738 3.284 0.264 7 0 "[ . 1 . 2]" 1
291 1 84 VAL HA 1 84 VAL HB . . 2.930 3.037 2.759 3.058 0.128 5 0 "[ . 1 . 2]" 1
292 1 84 VAL HA 1 85 SER H . . 3.420 3.507 3.430 3.530 0.110 14 0 "[ . 1 . 2]" 1
293 1 84 VAL HA 1 86 ALA H . . 3.450 3.514 3.479 3.548 0.098 5 0 "[ . 1 . 2]" 1
294 1 84 VAL HB 1 85 SER H . . 3.450 2.720 2.517 3.473 0.023 7 0 "[ . 1 . 2]" 1
295 1 85 SER H 1 85 SER HA . . 2.770 2.890 2.879 2.929 0.159 7 0 "[ . 1 . 2]" 1
296 1 85 SER HA 1 86 ALA H . . 2.740 2.771 2.674 2.880 0.140 15 0 "[ . 1 . 2]" 1
297 1 86 ALA H 1 86 ALA HA . . 2.770 2.837 2.777 2.910 0.140 15 0 "[ . 1 . 2]" 1
298 1 87 GLN H 1 87 GLN HA . . 2.790 2.778 2.344 2.891 0.101 4 0 "[ . 1 . 2]" 1
299 1 87 GLN HA 1 88 SER H . . 3.080 2.701 2.291 3.380 0.300 1 0 "[ . 1 . 2]" 1
300 1 88 SER H 1 88 SER HA . . 2.900 2.805 2.361 2.987 0.087 1 0 "[ . 1 . 2]" 1
301 1 88 SER H 1 90 GLY H . . 3.020 2.878 2.689 3.114 0.094 2 0 "[ . 1 . 2]" 1
302 1 89 LEU H 1 89 LEU HG . . 3.110 2.742 2.442 3.145 0.035 7 0 "[ . 1 . 2]" 1
303 1 89 LEU H 1 90 GLY H . . 2.900 2.944 2.597 3.013 0.113 19 0 "[ . 1 . 2]" 1
304 1 89 LEU HA 1 89 LEU HG . . 3.730 3.449 3.108 3.746 0.016 6 0 "[ . 1 . 2]" 1
305 1 89 LEU HA 1 90 GLY H . . 2.710 2.727 2.557 2.834 0.124 12 0 "[ . 1 . 2]" 1
306 1 91 GLU HA 1 92 ASP H . . 2.650 2.426 2.305 2.653 0.003 5 0 "[ . 1 . 2]" 1
307 1 92 ASP HA 1 93 ASP H . . 2.800 2.474 2.326 2.858 0.058 17 0 "[ . 1 . 2]" 1
308 1 93 ASP HA 1 94 VAL H . . 2.990 2.479 2.375 2.641 . 0 0 "[ . 1 . 2]" 1
309 1 94 VAL H 1 94 VAL HB . . 2.900 2.755 2.472 3.012 0.112 19 0 "[ . 1 . 2]" 1
310 2 7 LEU H 2 8 LEU H . . 2.800 2.718 2.019 2.872 0.072 5 0 "[ . 1 . 2]" 1
311 2 10 TYR H 2 11 ALA H . . 2.800 2.810 2.656 2.860 0.060 15 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 685
_Distance_constraint_stats_list.Viol_count 766
_Distance_constraint_stats_list.Viol_total 3274.867
_Distance_constraint_stats_list.Viol_max 0.670
_Distance_constraint_stats_list.Viol_rms 0.0602
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0120
_Distance_constraint_stats_list.Viol_average_violations_only 0.2138
_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 4 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 LYS 6.007 0.551 6 7 "[ * -+ * 1 * *. * 2]"
1 7 LEU 0.529 0.529 17 1 "[ . 1 . + 2]"
1 8 PRO 5.970 0.581 2 7 "[*+ .- **1 *. * 2]"
1 9 ASP 17.246 0.581 2 8 "[*+ .* **1 ** -2]"
1 10 LEU 5.499 0.505 15 1 "[ . 1 + 2]"
1 11 LYS 3.689 0.368 6 0 "[ . 1 . 2]"
1 12 ASP 13.911 0.500 2 0 "[ . 1 . 2]"
1 13 ALA 8.804 0.500 2 0 "[ . 1 . 2]"
1 14 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 GLN 2.272 0.537 7 1 "[ . + 1 . 2]"
1 18 LYS 2.292 0.537 7 1 "[ . + 1 . 2]"
1 19 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 LEU 2.416 0.158 10 0 "[ . 1 . 2]"
1 22 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 GLU 5.210 0.334 5 0 "[ . 1 . 2]"
1 24 ILE 0.293 0.293 15 0 "[ . 1 . 2]"
1 25 GLN 7.040 0.409 11 0 "[ . 1 . 2]"
1 26 LEU 19.611 0.602 12 9 "[ * ** +* ** * -]"
1 27 GLY 15.819 0.628 14 11 "[ ** ** **+** * -]"
1 28 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 GLU 0.614 0.149 10 0 "[ . 1 . 2]"
1 30 LEU 5.243 0.470 4 0 "[ . 1 . 2]"
1 31 LEU 7.404 0.470 4 0 "[ . 1 . 2]"
1 32 ALA 2.514 0.276 19 0 "[ . 1 . 2]"
1 33 GLN 1.533 0.237 10 0 "[ . 1 . 2]"
1 34 GLY 3.871 0.197 7 0 "[ . 1 . 2]"
1 35 ASP 0.027 0.027 11 0 "[ . 1 . 2]"
1 36 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 LYS 12.981 0.536 11 2 "[ . -+ . 2]"
1 39 GLY 3.217 0.387 13 0 "[ . 1 . 2]"
1 40 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 HIS 7.122 0.628 14 2 "[ -. 1 +. 2]"
1 43 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 ASN 3.425 0.296 5 0 "[ . 1 . 2]"
1 46 ALA 0.477 0.296 5 0 "[ . 1 . 2]"
1 47 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 VAL 5.401 0.367 20 0 "[ . 1 . 2]"
1 50 CYS 10.451 0.513 12 1 "[ . 1 + . 2]"
1 51 GLY 0.748 0.137 20 0 "[ . 1 . 2]"
1 52 GLN 6.254 0.670 13 3 "[ . *1 -+ . 2]"
1 53 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 GLN 7.814 0.445 16 0 "[ . 1 . 2]"
1 56 LEU 5.475 0.445 16 0 "[ . 1 . 2]"
1 57 LEU 8.707 0.552 7 9 "[ * *-+ * ** * *]"
1 58 GLN 9.310 0.552 7 9 "[ * *-+ * ** * *]"
1 59 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 LEU 0.366 0.066 4 0 "[ . 1 . 2]"
1 61 GLN 0.603 0.232 12 0 "[ . 1 . 2]"
1 62 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 LEU 3.309 0.278 4 0 "[ . 1 . 2]"
1 65 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 MET 1.149 0.545 11 1 "[ . 1+ . 2]"
1 72 LEU 0.214 0.196 5 0 "[ . 1 . 2]"
1 73 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 LYS 1.441 0.295 11 0 "[ . 1 . 2]"
1 76 LEU 7.553 0.404 17 0 "[ . 1 . 2]"
1 77 PRO 11.214 0.404 17 0 "[ . 1 . 2]"
1 78 THR 7.175 0.458 8 0 "[ . 1 . 2]"
1 79 ILE 3.862 0.458 8 0 "[ . 1 . 2]"
1 80 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 ILE 0.440 0.087 7 0 "[ . 1 . 2]"
1 84 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 GLN 0.819 0.416 17 0 "[ . 1 . 2]"
1 88 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 GLU 4.659 0.437 11 0 "[ . 1 . 2]"
1 92 ASP 2.597 0.401 15 0 "[ . 1 . 2]"
1 93 ASP 0.592 0.171 12 0 "[ . 1 . 2]"
2 4 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 5 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 7 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 8 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 10 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
2 11 ALA 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 4 LEU H 1 4 LEU QB . . 3.560 2.694 2.076 3.099 . 0 0 "[ . 1 . 2]" 2
2 1 4 LEU HA 1 4 LEU MD1 . . 4.480 3.278 2.237 3.865 . 0 0 "[ . 1 . 2]" 2
3 1 4 LEU HA 1 4 LEU MD2 . . 4.390 2.838 2.200 3.825 . 0 0 "[ . 1 . 2]" 2
4 1 4 LEU QB 1 5 SER H . . 4.240 3.176 2.107 3.914 . 0 0 "[ . 1 . 2]" 2
5 1 4 LEU QD 1 5 SER H . . 7.200 2.894 1.855 4.216 . 0 0 "[ . 1 . 2]" 2
6 1 4 LEU QD 1 6 LYS H . . 7.630 4.693 2.741 5.636 . 0 0 "[ . 1 . 2]" 2
7 1 5 SER H 1 5 SER QB . . 3.830 3.029 2.398 3.455 . 0 0 "[ . 1 . 2]" 2
8 1 5 SER QB 1 6 LYS H . . 4.240 2.925 2.103 3.903 . 0 0 "[ . 1 . 2]" 2
9 1 6 LYS H 1 6 LYS QG . . 4.920 2.851 1.988 3.938 . 0 0 "[ . 1 . 2]" 2
10 1 6 LYS H 1 6 LYS QD . . 4.330 3.363 2.140 3.986 . 0 0 "[ . 1 . 2]" 2
11 1 6 LYS HA 1 6 LYS HG2 . . 3.140 3.206 2.729 3.691 0.551 6 6 "[ * -+ 1 * *. * 2]" 2
12 1 6 LYS HA 1 6 LYS HG3 . . 3.140 2.957 2.493 3.650 0.510 8 1 "[ . + 1 . 2]" 2
13 1 7 LEU H 1 7 LEU QB . . 3.650 3.096 2.260 3.334 . 0 0 "[ . 1 . 2]" 2
14 1 7 LEU H 1 8 PRO HD2 . . 4.040 3.243 2.275 4.569 0.529 17 1 "[ . 1 . + 2]" 2
15 1 7 LEU H 1 8 PRO HD3 . . 4.040 2.803 2.470 3.691 . 0 0 "[ . 1 . 2]" 2
16 1 7 LEU H 1 16 VAL QG . . 7.620 5.285 5.067 5.429 . 0 0 "[ . 1 . 2]" 2
17 1 7 LEU HA 1 7 LEU MD1 . . 4.700 3.842 2.736 3.929 . 0 0 "[ . 1 . 2]" 2
18 1 7 LEU HA 1 7 LEU MD2 . . 4.790 2.291 2.153 3.925 . 0 0 "[ . 1 . 2]" 2
19 1 7 LEU MD1 1 19 PHE QE . . 8.650 3.074 2.633 3.520 . 0 0 "[ . 1 . 2]" 2
20 1 7 LEU MD1 1 19 PHE HZ . . 4.980 3.094 2.854 3.465 . 0 0 "[ . 1 . 2]" 2
21 1 7 LEU MD2 1 15 ALA MB . . 7.400 4.868 4.715 4.981 . 0 0 "[ . 1 . 2]" 2
22 1 7 LEU MD2 1 19 PHE QB . . 7.160 3.079 2.383 4.413 . 0 0 "[ . 1 . 2]" 2
23 1 7 LEU MD2 1 19 PHE QE . . 7.440 2.988 2.654 3.844 . 0 0 "[ . 1 . 2]" 2
24 1 7 LEU MD2 1 19 PHE HZ . . 5.290 3.623 3.037 4.412 . 0 0 "[ . 1 . 2]" 2
25 1 8 PRO HB2 1 9 ASP H . . 3.360 2.365 1.911 3.024 . 0 0 "[ . 1 . 2]" 2
26 1 8 PRO HB3 1 9 ASP H . . 3.360 3.632 3.401 3.941 0.581 2 6 "[*+ .- **1 *. 2]" 2
27 1 8 PRO HD2 1 19 PHE QE . . 7.620 6.752 3.483 7.224 . 0 0 "[ . 1 . 2]" 2
28 1 8 PRO HD3 1 19 PHE QE . . 7.620 6.895 4.720 7.340 . 0 0 "[ . 1 . 2]" 2
29 1 9 ASP H 1 9 ASP HB2 . . 2.940 2.737 2.242 3.359 0.419 9 0 "[ . 1 . 2]" 2
30 1 9 ASP H 1 9 ASP HB3 . . 3.040 2.710 2.312 3.541 0.501 19 1 "[ . 1 . +2]" 2
31 1 9 ASP HA 1 9 ASP HB2 . . 2.990 2.542 2.372 3.040 0.050 19 0 "[ . 1 . 2]" 2
32 1 9 ASP HA 1 9 ASP HB3 . . 2.990 3.013 2.514 3.046 0.056 12 0 "[ . 1 . 2]" 2
33 1 9 ASP HB2 1 10 LEU H . . 3.760 4.035 3.787 4.265 0.505 15 1 "[ . 1 + 2]" 2
34 1 9 ASP HB2 1 11 LYS H . . 4.290 4.439 3.840 4.658 0.368 6 0 "[ . 1 . 2]" 2
35 1 9 ASP HB3 1 10 LEU H . . 3.760 3.006 2.384 3.555 . 0 0 "[ . 1 . 2]" 2
36 1 9 ASP HB3 1 11 LYS H . . 4.290 3.094 2.530 3.767 . 0 0 "[ . 1 . 2]" 2
37 1 9 ASP QB 1 12 ASP H . . 4.610 3.370 2.691 3.863 . 0 0 "[ . 1 . 2]" 2
38 1 10 LEU H 1 10 LEU MD1 . . 5.420 4.523 4.284 4.613 . 0 0 "[ . 1 . 2]" 2
39 1 10 LEU H 1 10 LEU MD2 . . 5.190 3.524 2.476 4.242 . 0 0 "[ . 1 . 2]" 2
40 1 10 LEU HA 1 10 LEU MD1 . . 4.640 3.621 2.301 3.904 . 0 0 "[ . 1 . 2]" 2
41 1 10 LEU HA 1 10 LEU MD2 . . 4.790 2.299 2.161 2.449 . 0 0 "[ . 1 . 2]" 2
42 1 10 LEU HA 1 16 VAL MG2 . . 4.330 2.466 2.231 2.815 . 0 0 "[ . 1 . 2]" 2
43 1 10 LEU MD1 1 11 LYS H . . 6.060 5.027 4.984 5.078 . 0 0 "[ . 1 . 2]" 2
44 1 10 LEU MD1 1 19 PHE QD . . 8.430 6.037 5.063 6.383 . 0 0 "[ . 1 . 2]" 2
45 1 10 LEU MD1 1 19 PHE QE . . 8.560 5.797 4.186 6.344 . 0 0 "[ . 1 . 2]" 2
46 1 10 LEU MD2 1 11 LYS H . . 5.570 4.513 4.319 4.596 . 0 0 "[ . 1 . 2]" 2
47 1 10 LEU MD2 1 16 VAL HA . . 5.630 4.145 3.550 4.582 . 0 0 "[ . 1 . 2]" 2
48 1 10 LEU MD2 1 16 VAL HB . . 5.470 4.263 4.050 4.403 . 0 0 "[ . 1 . 2]" 2
49 1 10 LEU MD2 1 16 VAL MG1 . . 6.070 4.001 3.688 4.113 . 0 0 "[ . 1 . 2]" 2
50 1 10 LEU MD2 1 16 VAL MG2 . . 6.470 2.080 1.980 2.231 . 0 0 "[ . 1 . 2]" 2
51 1 10 LEU MD2 1 19 PHE QD . . 8.650 4.855 3.300 5.518 . 0 0 "[ . 1 . 2]" 2
52 1 10 LEU MD2 1 49 VAL HA . . 5.850 4.459 4.026 4.794 . 0 0 "[ . 1 . 2]" 2
53 1 10 LEU MD2 1 49 VAL HB . . 5.810 3.792 3.465 4.170 . 0 0 "[ . 1 . 2]" 2
54 1 11 LYS H 1 11 LYS QB . . 3.390 2.398 2.158 2.657 . 0 0 "[ . 1 . 2]" 2
55 1 11 LYS H 1 11 LYS QG . . 4.700 2.910 1.986 3.817 . 0 0 "[ . 1 . 2]" 2
56 1 11 LYS H 1 11 LYS QD . . 4.920 3.142 2.128 4.459 . 0 0 "[ . 1 . 2]" 2
57 1 11 LYS H 1 16 VAL QG . . 7.620 4.918 4.699 5.099 . 0 0 "[ . 1 . 2]" 2
58 1 11 LYS QB 1 12 ASP H . . 3.170 2.736 2.584 2.870 . 0 0 "[ . 1 . 2]" 2
59 1 11 LYS QG 1 12 ASP H . . 6.040 4.381 3.805 4.709 . 0 0 "[ . 1 . 2]" 2
60 1 11 LYS QD 1 12 ASP H . . 6.040 4.581 4.004 5.172 . 0 0 "[ . 1 . 2]" 2
61 1 12 ASP H 1 12 ASP HB2 . . 2.960 2.524 2.380 2.705 . 0 0 "[ . 1 . 2]" 2
62 1 12 ASP H 1 12 ASP HB3 . . 3.360 3.615 3.547 3.653 0.293 19 0 "[ . 1 . 2]" 2
63 1 12 ASP H 1 16 VAL QG . . 6.970 4.610 4.364 4.835 . 0 0 "[ . 1 . 2]" 2
64 1 12 ASP HA 1 13 ALA MB . . 5.910 3.939 3.908 3.966 . 0 0 "[ . 1 . 2]" 2
65 1 12 ASP HB2 1 13 ALA H . . 3.500 3.940 3.832 4.000 0.500 2 0 "[ . 1 . 2]" 2
66 1 12 ASP HB2 1 15 ALA H . . 4.170 3.095 2.658 3.727 . 0 0 "[ . 1 . 2]" 2
67 1 12 ASP HB2 1 15 ALA MB . . 5.260 2.321 2.144 2.588 . 0 0 "[ . 1 . 2]" 2
68 1 12 ASP HB3 1 13 ALA H . . 3.300 2.975 2.784 3.235 . 0 0 "[ . 1 . 2]" 2
69 1 12 ASP HB3 1 15 ALA H . . 4.170 2.986 2.705 3.525 . 0 0 "[ . 1 . 2]" 2
70 1 12 ASP HB3 1 15 ALA MB . . 5.260 3.240 2.724 3.439 . 0 0 "[ . 1 . 2]" 2
71 1 12 ASP QB 1 13 ALA MB . . 7.000 4.314 4.102 4.552 . 0 0 "[ . 1 . 2]" 2
72 1 12 ASP QB 1 14 GLU H . . 5.040 3.238 2.734 4.048 . 0 0 "[ . 1 . 2]" 2
73 1 13 ALA H 1 13 ALA MB . . 3.550 2.271 2.225 2.335 . 0 0 "[ . 1 . 2]" 2
74 1 13 ALA H 1 16 VAL QG . . 7.620 4.967 4.877 5.058 . 0 0 "[ . 1 . 2]" 2
75 1 13 ALA HA 1 16 VAL MG1 . . 3.920 3.197 3.149 3.219 . 0 0 "[ . 1 . 2]" 2
76 1 13 ALA HA 1 16 VAL MG2 . . 4.570 3.831 3.804 3.901 . 0 0 "[ . 1 . 2]" 2
77 1 13 ALA MB 1 14 GLU H . . 4.080 2.496 2.274 2.635 . 0 0 "[ . 1 . 2]" 2
78 1 13 ALA MB 1 16 VAL MG1 . . 6.040 3.903 3.823 3.994 . 0 0 "[ . 1 . 2]" 2
79 1 14 GLU H 1 14 GLU QB . . 3.370 2.430 2.140 2.578 . 0 0 "[ . 1 . 2]" 2
80 1 14 GLU H 1 16 VAL QG . . 7.620 5.106 5.068 5.146 . 0 0 "[ . 1 . 2]" 2
81 1 14 GLU QB 1 15 ALA H . . 3.800 2.765 2.428 3.502 . 0 0 "[ . 1 . 2]" 2
82 1 15 ALA HA 1 18 LYS QB . . 4.360 3.121 2.347 3.835 . 0 0 "[ . 1 . 2]" 2
83 1 15 ALA HA 1 18 LYS QD . . 5.540 4.308 2.805 4.977 . 0 0 "[ . 1 . 2]" 2
84 1 15 ALA MB 1 17 GLN H . . 5.780 4.471 4.317 4.602 . 0 0 "[ . 1 . 2]" 2
85 1 16 VAL MG1 1 17 GLN QG . . 7.400 4.901 4.376 5.363 . 0 0 "[ . 1 . 2]" 2
86 1 16 VAL MG1 1 19 PHE QD . . 8.650 3.950 3.279 4.368 . 0 0 "[ . 1 . 2]" 2
87 1 16 VAL MG1 1 49 VAL MG2 . . 6.100 3.075 2.562 3.458 . 0 0 "[ . 1 . 2]" 2
88 1 16 VAL MG2 1 19 PHE QB . . 6.750 3.920 3.295 4.223 . 0 0 "[ . 1 . 2]" 2
89 1 16 VAL MG2 1 20 PHE QB . . 7.000 4.463 4.163 4.734 . 0 0 "[ . 1 . 2]" 2
90 1 16 VAL MG2 1 49 VAL HA . . 6.280 4.441 3.817 4.926 . 0 0 "[ . 1 . 2]" 2
91 1 16 VAL MG2 1 49 VAL HB . . 4.570 2.973 2.392 3.439 . 0 0 "[ . 1 . 2]" 2
92 1 16 VAL QG 1 17 GLN H . . 6.230 2.911 2.758 3.309 . 0 0 "[ . 1 . 2]" 2
93 1 16 VAL QG 1 18 LYS H . . 7.620 4.604 4.516 4.761 . 0 0 "[ . 1 . 2]" 2
94 1 16 VAL QG 1 19 PHE H . . 7.620 4.520 4.217 4.709 . 0 0 "[ . 1 . 2]" 2
95 1 16 VAL QG 1 20 PHE H . . 7.530 3.837 3.626 3.982 . 0 0 "[ . 1 . 2]" 2
96 1 17 GLN H 1 17 GLN QB . . 3.400 2.337 2.295 2.383 . 0 0 "[ . 1 . 2]" 2
97 1 17 GLN H 1 17 GLN QG . . 5.140 4.078 3.987 4.139 . 0 0 "[ . 1 . 2]" 2
98 1 17 GLN H 1 18 LYS HG2 . . 5.500 5.096 4.356 6.037 0.537 7 1 "[ . + 1 . 2]" 2
99 1 17 GLN H 1 18 LYS HG3 . . 5.500 4.915 4.388 5.735 0.235 8 0 "[ . 1 . 2]" 2
100 1 17 GLN HA 1 20 PHE HB2 . . 3.860 3.623 3.571 3.754 . 0 0 "[ . 1 . 2]" 2
101 1 17 GLN HA 1 20 PHE HB3 . . 3.860 2.433 2.352 2.703 . 0 0 "[ . 1 . 2]" 2
102 1 17 GLN QB 1 18 LYS H . . 3.900 2.574 2.464 2.740 . 0 0 "[ . 1 . 2]" 2
103 1 17 GLN QB 1 21 LEU MD1 . . 6.040 4.255 4.208 4.312 . 0 0 "[ . 1 . 2]" 2
104 1 17 GLN QG 1 18 LYS H . . 5.940 3.803 3.562 4.025 . 0 0 "[ . 1 . 2]" 2
105 1 17 GLN QG 1 18 LYS QG . . 7.250 4.554 3.786 5.740 . 0 0 "[ . 1 . 2]" 2
106 1 17 GLN QG 1 21 LEU MD1 . . 6.100 2.474 2.381 2.710 . 0 0 "[ . 1 . 2]" 2
107 1 17 GLN QG 1 21 LEU MD2 . . 6.820 4.902 4.700 5.024 . 0 0 "[ . 1 . 2]" 2
108 1 18 LYS H 1 18 LYS QB . . 3.800 2.444 2.327 2.603 . 0 0 "[ . 1 . 2]" 2
109 1 18 LYS H 1 18 LYS HG2 . . 4.510 2.905 2.307 3.814 . 0 0 "[ . 1 . 2]" 2
110 1 18 LYS H 1 18 LYS HG3 . . 4.510 2.905 2.269 3.632 . 0 0 "[ . 1 . 2]" 2
111 1 18 LYS H 1 19 PHE QB . . 5.290 4.498 4.224 4.672 . 0 0 "[ . 1 . 2]" 2
112 1 18 LYS HA 1 18 LYS HG2 . . 4.230 2.979 2.453 4.249 0.019 16 0 "[ . 1 . 2]" 2
113 1 18 LYS HA 1 18 LYS HG3 . . 4.230 3.642 3.229 3.833 . 0 0 "[ . 1 . 2]" 2
114 1 18 LYS HA 1 18 LYS QE . . 5.480 3.760 2.222 4.774 . 0 0 "[ . 1 . 2]" 2
115 1 18 LYS HA 1 21 LEU MD1 . . 4.920 3.578 3.246 3.933 . 0 0 "[ . 1 . 2]" 2
116 1 18 LYS QB 1 19 PHE H . . 4.240 2.673 2.265 3.668 . 0 0 "[ . 1 . 2]" 2
117 1 18 LYS HG2 1 19 PHE H . . 5.160 4.413 2.736 5.114 . 0 0 "[ . 1 . 2]" 2
118 1 18 LYS HG3 1 19 PHE H . . 5.160 3.924 2.040 4.706 . 0 0 "[ . 1 . 2]" 2
119 1 18 LYS QD 1 19 PHE H . . 6.380 4.796 2.673 5.365 . 0 0 "[ . 1 . 2]" 2
120 1 18 LYS QE 1 19 PHE H . . 6.380 4.786 2.816 5.466 . 0 0 "[ . 1 . 2]" 2
121 1 19 PHE QB 1 22 GLU H . . 5.760 4.778 4.686 4.821 . 0 0 "[ . 1 . 2]" 2
122 1 19 PHE QB 1 49 VAL MG1 . . 7.400 4.784 4.558 5.351 . 0 0 "[ . 1 . 2]" 2
123 1 19 PHE QD 1 22 GLU H . . 7.620 5.091 4.550 5.272 . 0 0 "[ . 1 . 2]" 2
124 1 19 PHE QD 1 23 GLU H . . 7.620 4.756 3.691 5.045 . 0 0 "[ . 1 . 2]" 2
125 1 19 PHE QE 1 45 ASN HA . . 7.620 5.454 5.093 6.440 . 0 0 "[ . 1 . 2]" 2
126 1 19 PHE QE 1 45 ASN HB2 . . 7.620 5.006 4.110 5.785 . 0 0 "[ . 1 . 2]" 2
127 1 19 PHE QE 1 45 ASN HB3 . . 7.620 4.008 3.575 5.323 . 0 0 "[ . 1 . 2]" 2
128 1 19 PHE QE 1 48 ALA MB . . 8.650 4.900 4.656 5.505 . 0 0 "[ . 1 . 2]" 2
129 1 19 PHE QE 1 49 VAL MG1 . . 7.130 2.030 1.964 2.285 . 0 0 "[ . 1 . 2]" 2
130 1 19 PHE QE 1 49 VAL MG2 . . 6.730 2.089 1.942 3.464 . 0 0 "[ . 1 . 2]" 2
131 1 19 PHE HZ 1 45 ASN QB . . 6.310 2.891 2.294 3.971 . 0 0 "[ . 1 . 2]" 2
132 1 19 PHE HZ 1 48 ALA MB . . 6.400 5.076 4.806 5.136 . 0 0 "[ . 1 . 2]" 2
133 1 19 PHE HZ 1 49 VAL MG1 . . 5.350 3.029 2.268 3.439 . 0 0 "[ . 1 . 2]" 2
134 1 19 PHE HZ 1 49 VAL MG2 . . 4.700 3.821 3.663 3.849 . 0 0 "[ . 1 . 2]" 2
135 1 20 PHE H 1 20 PHE HB2 . . 3.170 2.632 2.528 2.861 . 0 0 "[ . 1 . 2]" 2
136 1 20 PHE H 1 20 PHE HB3 . . 3.170 2.367 2.218 2.486 . 0 0 "[ . 1 . 2]" 2
137 1 20 PHE H 1 49 VAL MG2 . . 5.440 3.695 3.542 3.923 . 0 0 "[ . 1 . 2]" 2
138 1 20 PHE HA 1 49 VAL MG1 . . 5.570 4.574 4.454 4.595 . 0 0 "[ . 1 . 2]" 2
139 1 20 PHE HA 1 49 VAL MG2 . . 4.640 2.695 2.575 2.847 . 0 0 "[ . 1 . 2]" 2
140 1 20 PHE HB2 1 49 VAL MG2 . . 4.920 2.298 2.053 2.531 . 0 0 "[ . 1 . 2]" 2
141 1 20 PHE HB3 1 49 VAL MG2 . . 4.920 3.755 3.415 3.979 . 0 0 "[ . 1 . 2]" 2
142 1 20 PHE QD 1 21 LEU H . . 6.880 3.484 2.371 3.846 . 0 0 "[ . 1 . 2]" 2
143 1 20 PHE QD 1 21 LEU MD1 . . 8.650 4.399 3.507 4.878 . 0 0 "[ . 1 . 2]" 2
144 1 20 PHE QD 1 21 LEU MD2 . . 7.660 4.900 4.130 5.234 . 0 0 "[ . 1 . 2]" 2
145 1 20 PHE QD 1 24 ILE MD . . 8.650 4.336 3.830 4.525 . 0 0 "[ . 1 . 2]" 2
146 1 20 PHE QD 1 46 ALA HA . . 7.620 2.369 2.228 2.631 . 0 0 "[ . 1 . 2]" 2
147 1 20 PHE QD 1 46 ALA MB . . 7.750 2.470 2.271 2.760 . 0 0 "[ . 1 . 2]" 2
148 1 20 PHE QD 1 49 VAL MG2 . . 6.790 2.339 2.146 2.585 . 0 0 "[ . 1 . 2]" 2
149 1 20 PHE QD 1 56 LEU MD2 . . 8.650 4.209 3.985 4.417 . 0 0 "[ . 1 . 2]" 2
150 1 20 PHE QE 1 21 LEU MD1 . . 8.650 5.408 3.814 5.941 . 0 0 "[ . 1 . 2]" 2
151 1 20 PHE QE 1 21 LEU MD2 . . 8.060 5.245 3.636 5.684 . 0 0 "[ . 1 . 2]" 2
152 1 20 PHE QE 1 24 ILE MG . . 8.650 5.166 4.148 5.480 . 0 0 "[ . 1 . 2]" 2
153 1 20 PHE QE 1 24 ILE MD . . 7.350 3.480 2.858 3.719 . 0 0 "[ . 1 . 2]" 2
154 1 20 PHE QE 1 43 LEU HA . . 7.620 5.929 5.705 6.241 . 0 0 "[ . 1 . 2]" 2
155 1 20 PHE QE 1 46 ALA MB . . 7.840 2.320 2.169 2.682 . 0 0 "[ . 1 . 2]" 2
156 1 20 PHE QE 1 56 LEU MD1 . . 8.180 2.984 2.499 3.121 . 0 0 "[ . 1 . 2]" 2
157 1 20 PHE QE 1 56 LEU MD2 . . 7.630 2.279 2.157 2.571 . 0 0 "[ . 1 . 2]" 2
158 1 21 LEU H 1 21 LEU HB2 . . 3.240 2.081 2.025 2.112 . 0 0 "[ . 1 . 2]" 2
159 1 21 LEU H 1 21 LEU HB3 . . 3.240 3.361 3.325 3.398 0.158 10 0 "[ . 1 . 2]" 2
160 1 21 LEU HA 1 21 LEU MD2 . . 4.300 2.301 2.246 2.445 . 0 0 "[ . 1 . 2]" 2
161 1 21 LEU HA 1 24 ILE MD . . 5.350 3.668 3.316 3.839 . 0 0 "[ . 1 . 2]" 2
162 1 21 LEU QB 1 22 GLU H . . 4.080 2.785 2.640 2.897 . 0 0 "[ . 1 . 2]" 2
163 1 21 LEU HG 1 24 ILE MG . . 4.950 3.946 3.805 3.999 . 0 0 "[ . 1 . 2]" 2
164 1 21 LEU HG 1 24 ILE MD . . 5.230 4.030 3.498 4.151 . 0 0 "[ . 1 . 2]" 2
165 1 21 LEU MD1 1 24 ILE MG . . 7.090 4.604 4.497 4.672 . 0 0 "[ . 1 . 2]" 2
166 1 21 LEU MD2 1 24 ILE HB . . 5.350 2.998 2.680 3.612 . 0 0 "[ . 1 . 2]" 2
167 1 21 LEU MD2 1 24 ILE MG . . 7.090 2.203 2.127 2.273 . 0 0 "[ . 1 . 2]" 2
168 1 21 LEU MD2 1 24 ILE MD . . 7.090 3.259 2.896 3.380 . 0 0 "[ . 1 . 2]" 2
169 1 21 LEU MD2 2 8 LEU QD . . 4.100 2.196 1.974 2.413 . 0 0 "[ . 1 . 2]" 2
170 1 21 LEU QD 1 22 GLU H . . 7.200 4.142 4.026 4.238 . 0 0 "[ . 1 . 2]" 2
171 1 22 GLU H 1 22 GLU HB2 . . 3.520 2.495 2.377 2.564 . 0 0 "[ . 1 . 2]" 2
172 1 22 GLU H 1 22 GLU HB3 . . 3.520 2.685 2.617 2.827 . 0 0 "[ . 1 . 2]" 2
173 1 22 GLU H 1 22 GLU QG . . 4.730 4.015 3.980 4.038 . 0 0 "[ . 1 . 2]" 2
174 1 22 GLU HA 1 25 GLN QB . . 5.010 3.159 2.523 4.185 . 0 0 "[ . 1 . 2]" 2
175 1 22 GLU QB 1 23 GLU H . . 4.180 2.841 2.677 2.983 . 0 0 "[ . 1 . 2]" 2
176 1 22 GLU QG 1 23 GLU H . . 6.040 3.988 3.899 4.095 . 0 0 "[ . 1 . 2]" 2
177 1 22 GLU QG 1 26 LEU MD1 . . 7.030 5.108 4.998 5.174 . 0 0 "[ . 1 . 2]" 2
178 1 22 GLU QG 1 26 LEU MD2 . . 7.340 4.116 3.666 4.440 . 0 0 "[ . 1 . 2]" 2
179 1 23 GLU H 1 23 GLU QB . . 3.480 2.280 2.187 2.376 . 0 0 "[ . 1 . 2]" 2
180 1 23 GLU H 1 46 ALA MB . . 5.810 4.699 4.632 4.744 . 0 0 "[ . 1 . 2]" 2
181 1 23 GLU HA 1 26 LEU HB2 . . 3.360 3.620 3.537 3.694 0.334 5 0 "[ . 1 . 2]" 2
182 1 23 GLU HA 1 26 LEU HB3 . . 3.360 2.247 2.152 2.339 . 0 0 "[ . 1 . 2]" 2
183 1 23 GLU HA 1 26 LEU MD1 . . 5.720 3.573 3.257 4.063 . 0 0 "[ . 1 . 2]" 2
184 1 23 GLU HA 1 26 LEU MD2 . . 5.750 4.873 4.822 4.902 . 0 0 "[ . 1 . 2]" 2
185 1 23 GLU QG 1 26 LEU MD1 . . 6.970 3.528 3.053 4.876 . 0 0 "[ . 1 . 2]" 2
186 1 23 GLU QG 1 26 LEU MD2 . . 7.370 5.354 5.195 5.450 . 0 0 "[ . 1 . 2]" 2
187 1 23 GLU QG 1 46 ALA MB . . 7.120 3.358 2.552 4.501 . 0 0 "[ . 1 . 2]" 2
188 1 24 ILE H 1 24 ILE MG . . 4.700 3.579 3.233 3.777 . 0 0 "[ . 1 . 2]" 2
189 1 24 ILE H 1 24 ILE HG12 . . 4.290 3.872 3.048 4.583 0.293 15 0 "[ . 1 . 2]" 2
190 1 24 ILE H 1 24 ILE HG13 . . 4.290 3.310 2.735 3.901 . 0 0 "[ . 1 . 2]" 2
191 1 24 ILE HA 1 24 ILE QG . . 3.650 2.325 2.303 2.407 . 0 0 "[ . 1 . 2]" 2
192 1 24 ILE HA 1 24 ILE MD . . 4.300 3.695 3.599 3.808 . 0 0 "[ . 1 . 2]" 2
193 1 24 ILE HA 1 46 ALA MB . . 4.360 3.674 3.582 3.709 . 0 0 "[ . 1 . 2]" 2
194 1 24 ILE HB 1 24 ILE MD . . 3.740 2.746 2.416 2.889 . 0 0 "[ . 1 . 2]" 2
195 1 24 ILE MG 1 25 GLN H . . 5.160 2.521 2.200 2.874 . 0 0 "[ . 1 . 2]" 2
196 1 24 ILE MG 1 28 GLU QB . . 7.400 4.054 3.779 4.548 . 0 0 "[ . 1 . 2]" 2
197 1 24 ILE MG 1 56 LEU MD2 . . 7.560 4.811 4.679 5.023 . 0 0 "[ . 1 . 2]" 2
198 1 24 ILE MG 1 60 LEU MD1 . . 6.660 4.121 3.733 4.309 . 0 0 "[ . 1 . 2]" 2
199 1 24 ILE MG 2 4 LEU QD . . 4.100 1.976 1.828 2.248 . 0 0 "[ . 1 . 2]" 2
200 1 24 ILE MG 2 7 LEU QD . . 6.000 3.562 3.419 3.637 . 0 0 "[ . 1 . 2]" 2
201 1 24 ILE MG 2 8 LEU QD . . 4.300 1.978 1.910 2.093 . 0 0 "[ . 1 . 2]" 2
202 1 24 ILE HG12 1 25 GLN H . . 5.500 5.035 4.862 5.137 . 0 0 "[ . 1 . 2]" 2
203 1 24 ILE HG13 1 25 GLN H . . 5.500 4.944 4.519 5.213 . 0 0 "[ . 1 . 2]" 2
204 1 24 ILE MD 1 56 LEU MD1 . . 6.660 1.909 1.867 1.977 . 0 0 "[ . 1 . 2]" 2
205 1 24 ILE MD 1 56 LEU MD2 . . 7.560 2.656 2.456 3.169 . 0 0 "[ . 1 . 2]" 2
206 1 24 ILE MD 2 7 LEU QD . . 4.500 2.813 2.723 2.880 . 0 0 "[ . 1 . 2]" 2
207 1 24 ILE MD 2 8 LEU QD . . 4.100 1.834 1.788 1.881 . 0 0 "[ . 1 . 2]" 2
208 1 25 GLN H 1 25 GLN HG2 . . 3.980 3.220 2.403 3.746 . 0 0 "[ . 1 . 2]" 2
209 1 25 GLN H 1 25 GLN HG3 . . 3.980 2.837 2.333 3.894 . 0 0 "[ . 1 . 2]" 2
210 1 25 GLN HA 1 25 GLN HG2 . . 3.590 2.896 2.485 3.678 0.088 14 0 "[ . 1 . 2]" 2
211 1 25 GLN HA 1 25 GLN HG3 . . 3.390 3.395 3.134 3.799 0.409 11 0 "[ . 1 . 2]" 2
212 1 25 GLN QB 1 26 LEU H . . 4.080 2.675 2.093 3.593 . 0 0 "[ . 1 . 2]" 2
213 1 25 GLN HG2 1 26 LEU H . . 4.660 4.415 2.228 5.065 0.405 4 0 "[ . 1 . 2]" 2
214 1 25 GLN HG3 1 26 LEU H . . 4.660 4.136 2.882 4.675 0.015 17 0 "[ . 1 . 2]" 2
215 1 26 LEU H 1 26 LEU HB2 . . 3.050 2.649 2.419 2.766 . 0 0 "[ . 1 . 2]" 2
216 1 26 LEU H 1 26 LEU HB3 . . 3.050 2.435 2.313 2.553 . 0 0 "[ . 1 . 2]" 2
217 1 26 LEU H 1 26 LEU MD1 . . 5.500 4.160 3.969 4.271 . 0 0 "[ . 1 . 2]" 2
218 1 26 LEU H 1 26 LEU MD2 . . 5.230 4.222 4.035 4.313 . 0 0 "[ . 1 . 2]" 2
219 1 26 LEU HA 1 26 LEU MD1 . . 4.020 3.260 2.962 3.348 . 0 0 "[ . 1 . 2]" 2
220 1 26 LEU HA 1 26 LEU MD2 . . 4.140 2.351 2.319 2.500 . 0 0 "[ . 1 . 2]" 2
221 1 26 LEU HA 1 29 GLU QB . . 4.830 2.606 2.439 2.848 . 0 0 "[ . 1 . 2]" 2
222 1 26 LEU HB2 1 27 GLY H . . 3.520 3.993 3.827 4.122 0.602 12 9 "[ * ** +* ** * -]" 2
223 1 26 LEU HB3 1 27 GLY H . . 3.520 2.653 2.410 2.842 . 0 0 "[ . 1 . 2]" 2
224 1 26 LEU MD1 1 27 GLY H . . 6.470 2.921 2.675 3.031 . 0 0 "[ . 1 . 2]" 2
225 1 26 LEU MD1 1 29 GLU H . . 6.530 4.849 4.688 5.080 . 0 0 "[ . 1 . 2]" 2
226 1 26 LEU MD1 1 29 GLU QG . . 7.400 5.223 4.854 5.414 . 0 0 "[ . 1 . 2]" 2
227 1 26 LEU MD1 1 30 LEU H . . 6.530 3.650 3.504 3.820 . 0 0 "[ . 1 . 2]" 2
228 1 26 LEU MD1 1 30 LEU HB2 . . 6.030 3.187 2.917 3.632 . 0 0 "[ . 1 . 2]" 2
229 1 26 LEU MD1 1 30 LEU HB3 . . 6.030 4.311 4.049 4.700 . 0 0 "[ . 1 . 2]" 2
230 1 26 LEU MD1 1 30 LEU HG . . 5.010 2.573 2.205 2.897 . 0 0 "[ . 1 . 2]" 2
231 1 26 LEU MD1 1 30 LEU MD1 . . 5.630 2.119 2.000 2.225 . 0 0 "[ . 1 . 2]" 2
232 1 26 LEU MD1 1 30 LEU MD2 . . 6.010 3.798 3.407 4.029 . 0 0 "[ . 1 . 2]" 2
233 1 26 LEU MD2 1 27 GLY H . . 6.530 4.456 4.310 4.639 . 0 0 "[ . 1 . 2]" 2
234 1 26 LEU MD2 1 29 GLU QG . . 7.400 4.105 3.513 4.779 . 0 0 "[ . 1 . 2]" 2
235 1 26 LEU MD2 1 30 LEU HG . . 5.940 2.888 2.476 3.469 . 0 0 "[ . 1 . 2]" 2
236 1 26 LEU MD2 1 30 LEU MD1 . . 5.790 3.182 2.777 3.471 . 0 0 "[ . 1 . 2]" 2
237 1 26 LEU MD2 1 30 LEU MD2 . . 5.940 3.782 3.470 3.934 . 0 0 "[ . 1 . 2]" 2
238 1 27 GLY H 1 27 GLY HA2 . . 2.930 2.867 2.844 2.882 . 0 0 "[ . 1 . 2]" 2
239 1 27 GLY H 1 27 GLY HA3 . . 2.930 2.346 2.295 2.359 . 0 0 "[ . 1 . 2]" 2
240 1 27 GLY H 1 42 HIS HB2 . . 4.540 4.370 3.946 4.780 0.240 13 0 "[ . 1 . 2]" 2
241 1 27 GLY H 1 42 HIS HB3 . . 4.540 3.883 3.137 5.168 0.628 14 2 "[ -. 1 +. 2]" 2
242 1 27 GLY HA2 1 29 GLU H . . 4.540 4.353 4.212 4.549 0.009 12 0 "[ . 1 . 2]" 2
243 1 27 GLY HA2 1 31 LEU H . . 4.260 3.974 3.931 4.013 . 0 0 "[ . 1 . 2]" 2
244 1 27 GLY HA3 1 29 GLU H . . 4.540 4.526 4.405 4.689 0.149 10 0 "[ . 1 . 2]" 2
245 1 27 GLY HA3 1 31 LEU H . . 4.660 4.850 4.762 4.882 0.222 13 0 "[ . 1 . 2]" 2
246 1 28 GLU H 1 43 LEU QD . . 6.670 4.414 4.336 4.529 . 0 0 "[ . 1 . 2]" 2
247 1 28 GLU HA 1 31 LEU QB . . 4.450 2.462 2.274 2.714 . 0 0 "[ . 1 . 2]" 2
248 1 28 GLU QG 1 31 LEU MD1 . . 7.400 5.248 4.898 5.471 . 0 0 "[ . 1 . 2]" 2
249 1 29 GLU H 1 29 GLU HB2 . . 3.030 2.665 2.429 2.888 . 0 0 "[ . 1 . 2]" 2
250 1 29 GLU H 1 29 GLU HB3 . . 3.030 2.494 2.314 2.645 . 0 0 "[ . 1 . 2]" 2
251 1 29 GLU H 1 29 GLU QG . . 5.010 4.039 3.972 4.092 . 0 0 "[ . 1 . 2]" 2
252 1 29 GLU QB 1 30 LEU H . . 4.330 2.709 2.581 2.826 . 0 0 "[ . 1 . 2]" 2
253 1 29 GLU QB 1 32 ALA MB . . 5.360 3.918 3.847 3.948 . 0 0 "[ . 1 . 2]" 2
254 1 29 GLU QG 1 30 LEU H . . 6.380 3.602 3.077 3.948 . 0 0 "[ . 1 . 2]" 2
255 1 29 GLU QG 1 30 LEU HA . . 6.380 3.679 3.318 4.152 . 0 0 "[ . 1 . 2]" 2
256 1 29 GLU QG 1 32 ALA H . . 6.380 4.702 4.458 5.109 . 0 0 "[ . 1 . 2]" 2
257 1 30 LEU H 1 30 LEU HB2 . . 3.330 2.268 2.193 2.549 . 0 0 "[ . 1 . 2]" 2
258 1 30 LEU H 1 30 LEU HB3 . . 3.330 3.538 3.486 3.675 0.345 4 0 "[ . 1 . 2]" 2
259 1 30 LEU H 1 30 LEU MD1 . . 4.820 3.855 3.697 3.924 . 0 0 "[ . 1 . 2]" 2
260 1 30 LEU H 1 30 LEU MD2 . . 5.070 3.937 3.536 4.061 . 0 0 "[ . 1 . 2]" 2
261 1 30 LEU HA 1 30 LEU MD1 . . 4.570 3.887 3.877 3.893 . 0 0 "[ . 1 . 2]" 2
262 1 30 LEU HA 1 30 LEU MD2 . . 4.790 2.157 2.145 2.174 . 0 0 "[ . 1 . 2]" 2
263 1 30 LEU HA 1 35 ASP HB2 . . 5.040 4.638 4.199 4.815 . 0 0 "[ . 1 . 2]" 2
264 1 30 LEU HA 1 35 ASP HB3 . . 5.040 4.199 4.040 4.429 . 0 0 "[ . 1 . 2]" 2
265 1 30 LEU HB2 1 31 LEU H . . 3.420 2.884 2.856 2.976 . 0 0 "[ . 1 . 2]" 2
266 1 30 LEU HB3 1 31 LEU H . . 3.420 3.438 3.320 3.890 0.470 4 0 "[ . 1 . 2]" 2
267 1 30 LEU HG 1 35 ASP QB . . 5.260 4.612 4.562 4.708 . 0 0 "[ . 1 . 2]" 2
268 1 30 LEU MD1 1 38 LYS QE . . 5.820 3.841 2.626 4.358 . 0 0 "[ . 1 . 2]" 2
269 1 30 LEU MD2 1 33 GLN H . . 5.720 4.628 4.614 4.643 . 0 0 "[ . 1 . 2]" 2
270 1 30 LEU MD2 1 35 ASP HB2 . . 5.190 3.083 2.943 3.719 . 0 0 "[ . 1 . 2]" 2
271 1 30 LEU MD2 1 35 ASP HB3 . . 5.190 2.870 2.583 4.005 . 0 0 "[ . 1 . 2]" 2
272 1 31 LEU H 1 31 LEU QB . . 3.680 2.278 2.233 2.317 . 0 0 "[ . 1 . 2]" 2
273 1 31 LEU H 1 31 LEU MD1 . . 4.730 2.216 2.160 2.273 . 0 0 "[ . 1 . 2]" 2
274 1 31 LEU H 1 31 LEU MD2 . . 4.580 3.028 2.806 3.553 . 0 0 "[ . 1 . 2]" 2
275 1 31 LEU HA 1 31 LEU MD1 . . 4.020 2.169 2.130 2.296 . 0 0 "[ . 1 . 2]" 2
276 1 31 LEU HA 1 36 TYR QD . . 7.640 3.555 2.390 4.674 . 0 0 "[ . 1 . 2]" 2
277 1 31 LEU HB2 1 32 ALA H . . 3.680 2.814 2.616 2.914 . 0 0 "[ . 1 . 2]" 2
278 1 31 LEU HB3 1 32 ALA H . . 3.580 3.691 3.302 3.856 0.276 19 0 "[ . 1 . 2]" 2
279 1 31 LEU MD1 1 34 GLY H . . 6.530 4.069 3.940 4.504 . 0 0 "[ . 1 . 2]" 2
280 1 31 LEU MD1 1 35 ASP H . . 5.380 3.124 2.913 3.655 . 0 0 "[ . 1 . 2]" 2
281 1 31 LEU MD1 1 36 TYR H . . 5.780 3.406 3.303 3.815 . 0 0 "[ . 1 . 2]" 2
282 1 31 LEU MD1 1 36 TYR HA . . 4.140 2.288 2.207 2.586 . 0 0 "[ . 1 . 2]" 2
283 1 31 LEU MD1 1 36 TYR HB2 . . 5.750 4.675 4.456 4.936 . 0 0 "[ . 1 . 2]" 2
284 1 31 LEU MD1 1 36 TYR HB3 . . 5.750 4.285 3.995 4.592 . 0 0 "[ . 1 . 2]" 2
285 1 31 LEU MD1 1 36 TYR QD . . 7.120 3.680 2.843 4.849 . 0 0 "[ . 1 . 2]" 2
286 1 31 LEU MD1 1 36 TYR QE . . 8.600 5.021 4.372 6.389 . 0 0 "[ . 1 . 2]" 2
287 1 31 LEU MD1 1 38 LYS H . . 5.660 3.818 3.607 3.936 . 0 0 "[ . 1 . 2]" 2
288 1 31 LEU MD1 1 39 GLY H . . 5.130 2.081 1.981 2.328 . 0 0 "[ . 1 . 2]" 2
289 1 31 LEU MD1 1 39 GLY QA . . 5.570 1.978 1.956 1.996 . 0 0 "[ . 1 . 2]" 2
290 1 31 LEU MD1 1 68 VAL MG2 . . 7.250 3.448 2.755 3.753 . 0 0 "[ . 1 . 2]" 2
291 1 31 LEU MD2 1 32 ALA H . . 5.300 4.372 4.312 4.406 . 0 0 "[ . 1 . 2]" 2
292 1 31 LEU MD2 1 36 TYR H . . 6.220 5.239 5.207 5.251 . 0 0 "[ . 1 . 2]" 2
293 1 31 LEU MD2 1 39 GLY H . . 4.850 3.858 3.785 3.901 . 0 0 "[ . 1 . 2]" 2
294 1 32 ALA MB 1 33 GLN H . . 4.260 3.081 3.026 3.147 . 0 0 "[ . 1 . 2]" 2
295 1 32 ALA MB 1 33 GLN HA . . 5.160 4.147 4.082 4.225 . 0 0 "[ . 1 . 2]" 2
296 1 32 ALA MB 1 33 GLN QG . . 6.380 4.442 4.185 4.576 . 0 0 "[ . 1 . 2]" 2
297 1 32 ALA MB 1 34 GLY H . . 5.630 4.625 4.576 4.676 . 0 0 "[ . 1 . 2]" 2
298 1 33 GLN H 1 33 GLN HB2 . . 3.090 2.251 2.207 2.306 . 0 0 "[ . 1 . 2]" 2
299 1 33 GLN H 1 33 GLN HB3 . . 2.990 3.066 2.987 3.227 0.237 10 0 "[ . 1 . 2]" 2
300 1 33 GLN H 1 33 GLN QG . . 4.640 3.756 3.617 3.851 . 0 0 "[ . 1 . 2]" 2
301 1 33 GLN H 1 33 GLN QE . . 6.370 4.648 4.122 5.163 . 0 0 "[ . 1 . 2]" 2
302 1 33 GLN H 1 35 ASP QB . . 5.540 4.834 4.656 4.985 . 0 0 "[ . 1 . 2]" 2
303 1 33 GLN HA 1 33 GLN HB2 . . 3.050 2.833 2.780 2.905 . 0 0 "[ . 1 . 2]" 2
304 1 33 GLN HA 1 33 GLN HB3 . . 3.050 2.937 2.861 2.983 . 0 0 "[ . 1 . 2]" 2
305 1 33 GLN HB2 1 34 GLY H . . 3.520 3.334 3.206 3.526 0.006 5 0 "[ . 1 . 2]" 2
306 1 33 GLN HB3 1 34 GLY H . . 3.520 2.976 2.845 3.232 . 0 0 "[ . 1 . 2]" 2
307 1 33 GLN QG 1 34 GLY H . . 6.280 4.451 4.365 4.583 . 0 0 "[ . 1 . 2]" 2
308 1 33 GLN QG 1 35 ASP H . . 6.380 5.237 5.146 5.367 . 0 0 "[ . 1 . 2]" 2
309 1 34 GLY H 1 34 GLY HA2 . . 2.800 2.494 2.474 2.526 . 0 0 "[ . 1 . 2]" 2
310 1 34 GLY H 1 34 GLY HA3 . . 2.800 2.993 2.985 2.997 0.197 7 0 "[ . 1 . 2]" 2
311 1 34 GLY H 1 35 ASP QB . . 5.110 3.982 3.882 4.132 . 0 0 "[ . 1 . 2]" 2
312 1 34 GLY H 1 36 TYR QE . . 7.630 4.998 4.240 6.350 . 0 0 "[ . 1 . 2]" 2
313 1 35 ASP H 1 35 ASP HB2 . . 2.960 2.577 2.433 2.711 . 0 0 "[ . 1 . 2]" 2
314 1 35 ASP H 1 35 ASP HB3 . . 2.960 2.788 2.698 2.987 0.027 11 0 "[ . 1 . 2]" 2
315 1 35 ASP H 1 36 TYR QD . . 7.640 4.883 3.750 5.213 . 0 0 "[ . 1 . 2]" 2
316 1 35 ASP QB 1 38 LYS H . . 4.640 3.739 3.557 3.985 . 0 0 "[ . 1 . 2]" 2
317 1 36 TYR HA 1 40 VAL MG2 . . 5.410 4.283 4.239 4.316 . 0 0 "[ . 1 . 2]" 2
318 1 36 TYR QB 1 37 GLU H . . 4.300 2.664 2.448 3.373 . 0 0 "[ . 1 . 2]" 2
319 1 36 TYR QB 1 40 VAL MG2 . . 7.190 3.748 3.591 3.945 . 0 0 "[ . 1 . 2]" 2
320 1 36 TYR QD 1 37 GLU H . . 7.640 3.802 2.429 4.541 . 0 0 "[ . 1 . 2]" 2
321 1 36 TYR QD 1 38 LYS H . . 7.640 5.739 4.880 5.967 . 0 0 "[ . 1 . 2]" 2
322 1 36 TYR QD 1 68 VAL MG1 . . 8.390 4.198 3.868 4.773 . 0 0 "[ . 1 . 2]" 2
323 1 36 TYR QD 1 71 MET ME . . 7.740 2.811 2.087 3.722 . 0 0 "[ . 1 . 2]" 2
324 1 36 TYR QE 1 68 VAL MG1 . . 8.660 5.822 5.185 6.486 . 0 0 "[ . 1 . 2]" 2
325 1 37 GLU H 1 37 GLU QB . . 3.620 2.403 2.060 2.604 . 0 0 "[ . 1 . 2]" 2
326 1 37 GLU H 1 37 GLU QG . . 4.830 3.038 2.054 4.069 . 0 0 "[ . 1 . 2]" 2
327 1 37 GLU QB 1 38 LYS H . . 4.450 2.645 2.393 2.914 . 0 0 "[ . 1 . 2]" 2
328 1 37 GLU QG 1 38 LYS H . . 6.100 4.047 2.499 4.445 . 0 0 "[ . 1 . 2]" 2
329 1 38 LYS H 1 38 LYS HB2 . . 3.170 2.305 2.141 2.615 . 0 0 "[ . 1 . 2]" 2
330 1 38 LYS H 1 38 LYS HB3 . . 3.170 3.544 3.252 3.706 0.536 11 2 "[ . -+ . 2]" 2
331 1 38 LYS H 1 38 LYS HG2 . . 3.950 3.151 2.463 3.775 . 0 0 "[ . 1 . 2]" 2
332 1 38 LYS H 1 38 LYS HG3 . . 3.950 4.004 3.478 4.352 0.402 7 0 "[ . 1 . 2]" 2
333 1 38 LYS HA 1 38 LYS HG2 . . 4.230 2.605 2.441 2.963 . 0 0 "[ . 1 . 2]" 2
334 1 38 LYS HA 1 38 LYS HG3 . . 4.230 3.678 3.637 3.846 . 0 0 "[ . 1 . 2]" 2
335 1 38 LYS HA 1 41 ASP QB . . 3.420 2.524 2.352 2.937 . 0 0 "[ . 1 . 2]" 2
336 1 38 LYS HB2 1 39 GLY H . . 3.450 3.155 2.644 3.456 0.006 7 0 "[ . 1 . 2]" 2
337 1 38 LYS HB3 1 39 GLY H . . 3.450 3.589 3.277 3.837 0.387 13 0 "[ . 1 . 2]" 2
338 1 38 LYS QG 1 39 GLY H . . 6.380 4.555 3.974 4.742 . 0 0 "[ . 1 . 2]" 2
339 1 39 GLY QA 1 41 ASP H . . 4.830 4.140 3.976 4.229 . 0 0 "[ . 1 . 2]" 2
340 1 39 GLY QA 1 42 HIS H . . 4.330 3.521 3.225 3.640 . 0 0 "[ . 1 . 2]" 2
341 1 40 VAL H 1 40 VAL MG1 . . 4.540 3.791 3.759 3.805 . 0 0 "[ . 1 . 2]" 2
342 1 40 VAL H 1 40 VAL MG2 . . 4.230 2.377 2.211 2.486 . 0 0 "[ . 1 . 2]" 2
343 1 40 VAL MG1 1 41 ASP H . . 4.880 3.289 3.171 3.472 . 0 0 "[ . 1 . 2]" 2
344 1 40 VAL MG1 1 41 ASP HA . . 5.440 3.428 3.282 3.643 . 0 0 "[ . 1 . 2]" 2
345 1 40 VAL MG1 1 72 LEU H . . 5.230 4.229 4.165 4.259 . 0 0 "[ . 1 . 2]" 2
346 1 40 VAL MG1 1 75 LYS QG . . 5.480 2.333 2.093 2.653 . 0 0 "[ . 1 . 2]" 2
347 1 40 VAL MG1 1 75 LYS QD . . 5.480 3.743 2.525 3.906 . 0 0 "[ . 1 . 2]" 2
348 1 40 VAL MG1 1 75 LYS HE2 . . 5.720 3.301 2.592 5.073 . 0 0 "[ . 1 . 2]" 2
349 1 40 VAL MG1 1 75 LYS HE3 . . 5.720 3.357 2.754 5.040 . 0 0 "[ . 1 . 2]" 2
350 1 40 VAL MG2 1 41 ASP H . . 5.040 3.962 3.856 4.053 . 0 0 "[ . 1 . 2]" 2
351 1 40 VAL MG2 1 72 LEU H . . 5.380 2.976 2.711 3.078 . 0 0 "[ . 1 . 2]" 2
352 1 40 VAL MG2 1 75 LYS H . . 5.190 4.192 4.142 4.267 . 0 0 "[ . 1 . 2]" 2
353 1 40 VAL MG2 1 75 LYS HE2 . . 5.260 3.340 2.529 3.887 . 0 0 "[ . 1 . 2]" 2
354 1 40 VAL MG2 1 75 LYS HE3 . . 5.260 3.857 2.205 4.790 . 0 0 "[ . 1 . 2]" 2
355 1 41 ASP H 1 41 ASP QB . . 3.240 2.206 2.124 2.315 . 0 0 "[ . 1 . 2]" 2
356 1 41 ASP QB 1 42 HIS H . . 3.240 2.501 2.393 2.630 . 0 0 "[ . 1 . 2]" 2
357 1 42 HIS H 1 42 HIS HB2 . . 3.330 2.482 2.317 3.434 0.104 14 0 "[ . 1 . 2]" 2
358 1 42 HIS H 1 42 HIS HB3 . . 3.330 3.469 2.148 3.661 0.331 5 0 "[ . 1 . 2]" 2
359 1 42 HIS H 1 42 HIS HD2 . . 4.170 3.511 2.712 4.103 . 0 0 "[ . 1 . 2]" 2
360 1 42 HIS HA 1 45 ASN QB . . 4.800 2.509 2.293 3.267 . 0 0 "[ . 1 . 2]" 2
361 1 42 HIS QB 1 43 LEU H . . 4.300 2.939 2.763 3.202 . 0 0 "[ . 1 . 2]" 2
362 1 43 LEU H 1 43 LEU HB2 . . 3.240 2.442 2.365 2.541 . 0 0 "[ . 1 . 2]" 2
363 1 43 LEU H 1 43 LEU HB3 . . 3.240 2.920 2.814 3.021 . 0 0 "[ . 1 . 2]" 2
364 1 43 LEU HA 1 46 ALA MB . . 4.610 2.492 2.410 2.671 . 0 0 "[ . 1 . 2]" 2
365 1 43 LEU HB2 1 44 THR H . . 3.860 3.726 3.595 3.828 . 0 0 "[ . 1 . 2]" 2
366 1 43 LEU HB3 1 44 THR H . . 3.860 2.778 2.709 2.909 . 0 0 "[ . 1 . 2]" 2
367 1 43 LEU MD1 1 69 PHE QD . . 8.650 6.034 5.764 6.352 . 0 0 "[ . 1 . 2]" 2
368 1 43 LEU QD 1 44 THR H . . 6.520 4.168 4.089 4.290 . 0 0 "[ . 1 . 2]" 2
369 1 43 LEU QD 1 46 ALA H . . 6.390 4.538 4.279 4.649 . 0 0 "[ . 1 . 2]" 2
370 1 43 LEU QD 1 69 PHE H . . 7.380 4.586 4.032 5.089 . 0 0 "[ . 1 . 2]" 2
371 1 44 THR MG 1 45 ASN H . . 5.290 3.581 3.456 3.673 . 0 0 "[ . 1 . 2]" 2
372 1 44 THR MG 1 47 ILE HB . . 4.570 3.598 3.576 3.629 . 0 0 "[ . 1 . 2]" 2
373 1 44 THR MG 1 48 ALA MB . . 6.070 3.399 3.170 3.556 . 0 0 "[ . 1 . 2]" 2
374 1 45 ASN H 1 45 ASN HB2 . . 3.480 2.443 2.326 3.724 0.244 5 0 "[ . 1 . 2]" 2
375 1 45 ASN H 1 45 ASN HB3 . . 3.480 3.564 2.540 3.649 0.169 8 0 "[ . 1 . 2]" 2
376 1 45 ASN H 1 45 ASN HD21 . . 4.760 2.768 2.311 4.358 . 0 0 "[ . 1 . 2]" 2
377 1 45 ASN H 1 45 ASN HD22 . . 4.760 4.086 3.911 4.836 0.076 5 0 "[ . 1 . 2]" 2
378 1 45 ASN H 1 46 ALA MB . . 6.160 4.282 4.226 4.330 . 0 0 "[ . 1 . 2]" 2
379 1 45 ASN H 1 47 ILE MD . . 5.380 4.407 4.396 4.416 . 0 0 "[ . 1 . 2]" 2
380 1 45 ASN H 1 48 ALA MB . . 6.530 4.576 4.504 4.665 . 0 0 "[ . 1 . 2]" 2
381 1 45 ASN HA 1 48 ALA MB . . 4.510 2.353 2.326 2.381 . 0 0 "[ . 1 . 2]" 2
382 1 45 ASN HB2 1 46 ALA H . . 3.730 2.867 2.582 4.026 0.296 5 0 "[ . 1 . 2]" 2
383 1 45 ASN HB3 1 46 ALA H . . 3.730 3.534 3.358 3.861 0.131 5 0 "[ . 1 . 2]" 2
384 1 45 ASN QD 1 46 ALA H . . 5.750 4.409 2.788 4.699 . 0 0 "[ . 1 . 2]" 2
385 1 46 ALA HA 1 49 VAL MG2 . . 4.230 2.276 2.209 2.363 . 0 0 "[ . 1 . 2]" 2
386 1 46 ALA MB 1 56 LEU MD1 . . 6.440 4.136 3.889 4.255 . 0 0 "[ . 1 . 2]" 2
387 1 46 ALA MB 1 56 LEU MD2 . . 6.280 2.727 2.478 2.887 . 0 0 "[ . 1 . 2]" 2
388 1 47 ILE H 1 47 ILE MG . . 4.700 3.808 3.794 3.824 . 0 0 "[ . 1 . 2]" 2
389 1 47 ILE H 1 47 ILE QG . . 3.890 3.341 3.256 3.408 . 0 0 "[ . 1 . 2]" 2
390 1 47 ILE H 1 47 ILE MD . . 5.230 2.048 1.972 2.109 . 0 0 "[ . 1 . 2]" 2
391 1 47 ILE H 1 48 ALA MB . . 5.630 4.385 4.339 4.429 . 0 0 "[ . 1 . 2]" 2
392 1 47 ILE HA 1 47 ILE QG . . 3.950 2.415 2.383 2.453 . 0 0 "[ . 1 . 2]" 2
393 1 47 ILE HA 1 47 ILE MD . . 4.020 3.089 3.040 3.165 . 0 0 "[ . 1 . 2]" 2
394 1 47 ILE HA 1 50 CYS HB2 . . 4.140 3.758 3.617 3.827 . 0 0 "[ . 1 . 2]" 2
395 1 47 ILE HA 1 50 CYS HB3 . . 4.140 2.329 2.242 2.484 . 0 0 "[ . 1 . 2]" 2
396 1 47 ILE HA 1 56 LEU MD2 . . 5.010 3.620 3.263 3.954 . 0 0 "[ . 1 . 2]" 2
397 1 47 ILE MG 1 48 ALA H . . 4.300 3.327 3.164 3.479 . 0 0 "[ . 1 . 2]" 2
398 1 47 ILE MG 1 50 CYS H . . 5.660 4.284 4.173 4.345 . 0 0 "[ . 1 . 2]" 2
399 1 47 ILE MG 1 52 GLN H . . 6.530 3.891 2.973 4.335 . 0 0 "[ . 1 . 2]" 2
400 1 47 ILE MG 1 53 PRO QB . . 5.640 2.077 2.021 2.152 . 0 0 "[ . 1 . 2]" 2
401 1 47 ILE QG 1 51 GLY H . . 5.500 4.837 4.825 4.853 . 0 0 "[ . 1 . 2]" 2
402 1 47 ILE QG 1 50 CYS H . . 6.380 5.232 5.156 5.305 . 0 0 "[ . 1 . 2]" 2
403 1 48 ALA H 1 49 VAL MG1 . . 5.130 4.065 3.989 4.109 . 0 0 "[ . 1 . 2]" 2
404 1 48 ALA H 1 49 VAL MG2 . . 5.380 4.158 4.054 4.261 . 0 0 "[ . 1 . 2]" 2
405 1 48 ALA MB 1 50 CYS H . . 6.000 4.496 4.404 4.536 . 0 0 "[ . 1 . 2]" 2
406 1 49 VAL H 1 49 VAL MG1 . . 4.700 2.421 2.277 2.465 . 0 0 "[ . 1 . 2]" 2
407 1 49 VAL H 1 49 VAL MG2 . . 4.390 2.288 2.207 2.370 . 0 0 "[ . 1 . 2]" 2
408 1 49 VAL H 1 50 CYS HB2 . . 4.420 4.673 4.442 4.787 0.367 20 0 "[ . 1 . 2]" 2
409 1 49 VAL H 1 50 CYS HB3 . . 4.420 4.406 4.290 4.652 0.232 9 0 "[ . 1 . 2]" 2
410 1 49 VAL MG1 1 50 CYS H . . 5.260 4.063 4.013 4.095 . 0 0 "[ . 1 . 2]" 2
411 1 49 VAL MG2 1 50 CYS H . . 4.920 2.819 2.701 3.017 . 0 0 "[ . 1 . 2]" 2
412 1 50 CYS H 1 50 CYS HB2 . . 3.110 2.853 2.680 2.958 . 0 0 "[ . 1 . 2]" 2
413 1 50 CYS H 1 50 CYS HB3 . . 3.110 2.408 2.331 2.576 . 0 0 "[ . 1 . 2]" 2
414 1 50 CYS HB2 1 51 GLY H . . 3.920 3.953 3.872 4.057 0.137 20 0 "[ . 1 . 2]" 2
415 1 50 CYS HB2 1 52 GLN H . . 4.070 4.285 4.182 4.583 0.513 12 1 "[ . 1 + . 2]" 2
416 1 50 CYS HB2 1 56 LEU MD2 . . 6.030 3.786 3.559 4.402 . 0 0 "[ . 1 . 2]" 2
417 1 50 CYS HB3 1 51 GLY H . . 3.920 2.603 2.483 2.756 . 0 0 "[ . 1 . 2]" 2
418 1 50 CYS HB3 1 52 GLN H . . 4.070 2.998 2.881 3.187 . 0 0 "[ . 1 . 2]" 2
419 1 50 CYS HB3 1 56 LEU MD2 . . 6.030 3.679 3.433 4.173 . 0 0 "[ . 1 . 2]" 2
420 1 51 GLY H 1 53 PRO HD2 . . 5.500 4.953 4.588 5.349 . 0 0 "[ . 1 . 2]" 2
421 1 51 GLY H 1 53 PRO HD3 . . 5.500 3.749 3.276 4.286 . 0 0 "[ . 1 . 2]" 2
422 1 52 GLN H 1 52 GLN HB2 . . 3.110 3.040 2.683 3.719 0.609 9 1 "[ . +1 . 2]" 2
423 1 52 GLN H 1 52 GLN HB3 . . 3.110 2.956 2.696 3.780 0.670 13 1 "[ . 1 + . 2]" 2
424 1 52 GLN H 1 53 PRO HD2 . . 4.170 3.637 3.443 3.842 . 0 0 "[ . 1 . 2]" 2
425 1 52 GLN H 1 53 PRO HD3 . . 4.170 3.179 2.938 3.460 . 0 0 "[ . 1 . 2]" 2
426 1 52 GLN HA 1 53 PRO QG . . 5.340 3.924 3.861 3.978 . 0 0 "[ . 1 . 2]" 2
427 1 52 GLN HA 1 53 PRO HD2 . . 3.860 2.333 2.277 2.384 . 0 0 "[ . 1 . 2]" 2
428 1 52 GLN HA 1 53 PRO HD3 . . 3.860 3.491 3.447 3.540 . 0 0 "[ . 1 . 2]" 2
429 1 53 PRO HD2 1 54 GLN H . . 4.540 3.356 3.290 3.433 . 0 0 "[ . 1 . 2]" 2
430 1 53 PRO HD3 1 54 GLN H . . 4.540 4.125 4.069 4.177 . 0 0 "[ . 1 . 2]" 2
431 1 54 GLN H 1 54 GLN QB . . 3.830 2.579 2.559 2.593 . 0 0 "[ . 1 . 2]" 2
432 1 54 GLN H 1 54 GLN HG2 . . 3.550 3.120 3.065 3.161 . 0 0 "[ . 1 . 2]" 2
433 1 54 GLN H 1 54 GLN HG3 . . 3.550 2.118 2.062 2.188 . 0 0 "[ . 1 . 2]" 2
434 1 54 GLN H 1 57 LEU QD . . 7.450 4.301 3.815 4.530 . 0 0 "[ . 1 . 2]" 2
435 1 54 GLN HA 1 54 GLN HG2 . . 3.950 2.643 2.572 2.686 . 0 0 "[ . 1 . 2]" 2
436 1 54 GLN HA 1 54 GLN HG3 . . 3.950 3.342 3.313 3.384 . 0 0 "[ . 1 . 2]" 2
437 1 54 GLN HA 1 57 LEU QB . . 4.490 2.561 2.233 2.800 . 0 0 "[ . 1 . 2]" 2
438 1 54 GLN HA 1 57 LEU MD1 . . 4.570 3.071 2.371 3.582 . 0 0 "[ . 1 . 2]" 2
439 1 54 GLN HA 1 57 LEU MD2 . . 5.290 4.351 4.285 4.485 . 0 0 "[ . 1 . 2]" 2
440 1 54 GLN QG 1 57 LEU MD1 . . 5.950 3.579 2.801 4.171 . 0 0 "[ . 1 . 2]" 2
441 1 54 GLN QG 1 57 LEU MD2 . . 7.190 5.346 5.310 5.365 . 0 0 "[ . 1 . 2]" 2
442 1 55 GLN H 1 55 GLN HB2 . . 3.270 2.575 2.166 2.764 . 0 0 "[ . 1 . 2]" 2
443 1 55 GLN H 1 55 GLN HB3 . . 3.270 2.662 2.532 3.125 . 0 0 "[ . 1 . 2]" 2
444 1 55 GLN H 1 55 GLN QG . . 4.950 4.108 4.022 4.159 . 0 0 "[ . 1 . 2]" 2
445 1 55 GLN HA 1 55 GLN HB2 . . 2.930 2.519 2.418 2.799 . 0 0 "[ . 1 . 2]" 2
446 1 55 GLN HA 1 55 GLN HB3 . . 2.930 3.047 2.975 3.062 0.132 8 0 "[ . 1 . 2]" 2
447 1 55 GLN HB2 1 56 LEU H . . 3.580 3.838 3.270 4.025 0.445 16 0 "[ . 1 . 2]" 2
448 1 55 GLN HB3 1 56 LEU H . . 3.480 2.588 2.441 2.717 . 0 0 "[ . 1 . 2]" 2
449 1 55 GLN QG 1 56 LEU H . . 6.190 3.704 3.486 4.264 . 0 0 "[ . 1 . 2]" 2
450 1 55 GLN QG 1 59 VAL MG1 . . 7.000 4.436 4.149 5.090 . 0 0 "[ . 1 . 2]" 2
451 1 56 LEU H 1 56 LEU HB2 . . 2.960 2.560 2.510 2.645 . 0 0 "[ . 1 . 2]" 2
452 1 56 LEU H 1 56 LEU HB3 . . 2.960 2.615 2.484 2.669 . 0 0 "[ . 1 . 2]" 2
453 1 56 LEU H 1 56 LEU MD1 . . 5.040 4.094 4.070 4.134 . 0 0 "[ . 1 . 2]" 2
454 1 56 LEU H 1 56 LEU MD2 . . 5.190 4.285 4.271 4.296 . 0 0 "[ . 1 . 2]" 2
455 1 56 LEU H 1 57 LEU QD . . 6.760 4.559 4.271 4.963 . 0 0 "[ . 1 . 2]" 2
456 1 56 LEU HA 1 56 LEU MD1 . . 4.760 2.158 2.113 2.280 . 0 0 "[ . 1 . 2]" 2
457 1 56 LEU HA 1 56 LEU MD2 . . 4.760 3.888 3.850 3.962 . 0 0 "[ . 1 . 2]" 2
458 1 56 LEU HA 1 59 VAL MG1 . . 4.110 2.233 2.115 2.376 . 0 0 "[ . 1 . 2]" 2
459 1 56 LEU HA 1 59 VAL MG2 . . 4.640 3.938 3.904 3.966 . 0 0 "[ . 1 . 2]" 2
460 1 56 LEU HG 1 59 VAL MG1 . . 5.690 2.984 2.880 3.130 . 0 0 "[ . 1 . 2]" 2
461 1 56 LEU MD1 2 7 LEU QD . . 4.900 2.789 2.644 2.966 . 0 0 "[ . 1 . 2]" 2
462 1 56 LEU MD1 2 8 LEU QD . . 4.900 2.621 2.443 2.848 . 0 0 "[ . 1 . 2]" 2
463 1 57 LEU HA 1 57 LEU MD1 . . 4.670 3.793 3.636 3.876 . 0 0 "[ . 1 . 2]" 2
464 1 57 LEU HA 1 57 LEU MD2 . . 4.790 2.252 2.149 2.311 . 0 0 "[ . 1 . 2]" 2
465 1 57 LEU HA 1 60 LEU QB . . 3.590 2.354 2.244 2.507 . 0 0 "[ . 1 . 2]" 2
466 1 57 LEU HB2 1 58 GLN H . . 3.480 2.919 2.736 3.019 . 0 0 "[ . 1 . 2]" 2
467 1 57 LEU HB3 1 58 GLN H . . 3.480 3.915 3.704 4.032 0.552 7 9 "[ * *-+ * ** * *]" 2
468 1 57 LEU MD1 1 69 PHE QD . . 8.650 2.876 2.216 4.003 . 0 0 "[ . 1 . 2]" 2
469 1 57 LEU MD1 1 69 PHE QE . . 8.650 2.128 2.051 2.210 . 0 0 "[ . 1 . 2]" 2
470 1 57 LEU MD2 1 60 LEU HG . . 4.140 3.417 3.353 3.464 . 0 0 "[ . 1 . 2]" 2
471 1 57 LEU MD2 1 69 PHE QD . . 7.940 2.681 2.366 3.371 . 0 0 "[ . 1 . 2]" 2
472 1 57 LEU MD2 1 69 PHE QE . . 7.840 3.360 2.249 4.158 . 0 0 "[ . 1 . 2]" 2
473 1 57 LEU QD 1 58 GLN H . . 7.110 4.236 4.166 4.317 . 0 0 "[ . 1 . 2]" 2
474 1 58 GLN HA 1 61 GLN HB2 . . 3.830 3.776 3.469 4.062 0.232 12 0 "[ . 1 . 2]" 2
475 1 58 GLN HA 1 61 GLN HB3 . . 3.830 2.606 2.418 2.781 . 0 0 "[ . 1 . 2]" 2
476 1 58 GLN HA 1 61 GLN QB . . 3.570 2.560 2.390 2.730 . 0 0 "[ . 1 . 2]" 2
477 1 58 GLN QG 1 59 VAL H . . 6.380 3.513 2.287 4.553 . 0 0 "[ . 1 . 2]" 2
478 1 59 VAL H 1 59 VAL MG1 . . 4.610 3.108 3.037 3.191 . 0 0 "[ . 1 . 2]" 2
479 1 59 VAL H 1 59 VAL MG2 . . 4.050 3.469 3.437 3.505 . 0 0 "[ . 1 . 2]" 2
480 1 59 VAL HA 1 62 GLN QB . . 4.800 3.054 2.405 4.271 . 0 0 "[ . 1 . 2]" 2
481 1 59 VAL HA 1 62 GLN QG . . 6.220 3.002 2.287 4.680 . 0 0 "[ . 1 . 2]" 2
482 1 59 VAL MG1 1 60 LEU H . . 4.980 2.668 2.456 2.792 . 0 0 "[ . 1 . 2]" 2
483 1 59 VAL MG1 2 7 LEU QD . . 3.700 1.739 1.712 1.755 . 0 0 "[ . 1 . 2]" 2
484 1 59 VAL MG1 2 8 LEU QD . . 4.600 2.849 2.821 2.875 . 0 0 "[ . 1 . 2]" 2
485 1 59 VAL MG2 1 60 LEU H . . 5.290 4.226 4.100 4.326 . 0 0 "[ . 1 . 2]" 2
486 1 59 VAL MG2 2 7 LEU QD . . 4.100 1.909 1.810 1.990 . 0 0 "[ . 1 . 2]" 2
487 1 59 VAL MG2 2 8 LEU QD . . 6.000 3.529 3.491 3.563 . 0 0 "[ . 1 . 2]" 2
488 1 60 LEU H 1 60 LEU HB2 . . 3.450 2.228 2.104 2.717 . 0 0 "[ . 1 . 2]" 2
489 1 60 LEU H 1 60 LEU HB3 . . 3.450 3.261 2.061 3.516 0.066 4 0 "[ . 1 . 2]" 2
490 1 60 LEU HA 1 60 LEU MD1 . . 4.260 2.525 2.328 2.833 . 0 0 "[ . 1 . 2]" 2
491 1 60 LEU HA 1 60 LEU MD2 . . 4.190 2.463 2.244 3.636 . 0 0 "[ . 1 . 2]" 2
492 1 60 LEU QB 1 61 GLN H . . 4.240 2.754 2.533 3.172 . 0 0 "[ . 1 . 2]" 2
493 1 60 LEU MD1 2 4 LEU QD . . 3.700 2.047 1.944 2.232 . 0 0 "[ . 1 . 2]" 2
494 1 60 LEU QD 1 61 GLN H . . 6.980 4.093 4.033 4.165 . 0 0 "[ . 1 . 2]" 2
495 1 60 LEU QD 1 63 THR H . . 7.290 4.676 4.517 4.919 . 0 0 "[ . 1 . 2]" 2
496 1 61 GLN H 1 61 GLN QB . . 3.540 2.256 2.217 2.298 . 0 0 "[ . 1 . 2]" 2
497 1 61 GLN H 1 61 GLN HG2 . . 4.720 4.465 4.328 4.656 . 0 0 "[ . 1 . 2]" 2
498 1 61 GLN H 1 61 GLN HG3 . . 4.720 4.627 4.570 4.684 . 0 0 "[ . 1 . 2]" 2
499 1 61 GLN H 1 62 GLN QB . . 5.230 4.255 3.802 4.461 . 0 0 "[ . 1 . 2]" 2
500 1 61 GLN H 1 62 GLN QG . . 6.380 4.880 3.982 5.776 . 0 0 "[ . 1 . 2]" 2
501 1 61 GLN H 1 63 THR MG . . 6.310 4.423 4.095 4.626 . 0 0 "[ . 1 . 2]" 2
502 1 61 GLN H 1 69 PHE QD . . 7.280 6.470 5.983 6.762 . 0 0 "[ . 1 . 2]" 2
503 1 61 GLN HA 1 61 GLN HG2 . . 3.950 3.197 2.504 3.765 . 0 0 "[ . 1 . 2]" 2
504 1 61 GLN HA 1 61 GLN HG3 . . 3.950 3.022 2.637 3.703 . 0 0 "[ . 1 . 2]" 2
505 1 61 GLN HA 1 69 PHE QD . . 7.620 5.963 5.413 6.699 . 0 0 "[ . 1 . 2]" 2
506 1 61 GLN HB2 1 69 PHE QD . . 7.620 5.227 4.575 5.783 . 0 0 "[ . 1 . 2]" 2
507 1 61 GLN HB2 1 69 PHE QE . . 7.620 5.077 4.549 5.656 . 0 0 "[ . 1 . 2]" 2
508 1 61 GLN HB3 1 69 PHE QD . . 7.620 6.660 6.053 7.238 . 0 0 "[ . 1 . 2]" 2
509 1 61 GLN HB3 1 69 PHE QE . . 7.620 6.311 5.741 6.932 . 0 0 "[ . 1 . 2]" 2
510 1 61 GLN HG2 1 62 GLN H . . 5.500 4.253 3.675 5.158 . 0 0 "[ . 1 . 2]" 2
511 1 61 GLN HG3 1 62 GLN H . . 5.500 4.834 4.285 5.199 . 0 0 "[ . 1 . 2]" 2
512 1 61 GLN QG 1 69 PHE QD . . 8.500 5.730 4.617 6.731 . 0 0 "[ . 1 . 2]" 2
513 1 61 GLN QG 1 69 PHE QE . . 8.500 5.426 4.388 6.455 . 0 0 "[ . 1 . 2]" 2
514 1 62 GLN H 1 62 GLN QG . . 4.890 3.057 2.367 3.902 . 0 0 "[ . 1 . 2]" 2
515 1 62 GLN H 1 63 THR MG . . 5.690 3.964 3.302 4.389 . 0 0 "[ . 1 . 2]" 2
516 1 62 GLN QG 1 63 THR H . . 6.380 3.125 2.284 4.240 . 0 0 "[ . 1 . 2]" 2
517 1 62 GLN QG 1 63 THR MG . . 7.120 4.260 3.216 5.161 . 0 0 "[ . 1 . 2]" 2
518 1 63 THR H 1 63 THR MG . . 4.510 2.151 1.991 2.348 . 0 0 "[ . 1 . 2]" 2
519 1 63 THR HA 1 63 THR MG . . 3.680 3.214 3.192 3.240 . 0 0 "[ . 1 . 2]" 2
520 1 63 THR MG 1 64 LEU H . . 6.090 2.333 1.979 2.627 . 0 0 "[ . 1 . 2]" 2
521 1 63 THR MG 1 64 LEU MD2 . . 5.790 2.813 1.994 3.833 . 0 0 "[ . 1 . 2]" 2
522 1 63 THR MG 2 4 LEU QD . . 4.100 2.105 1.861 2.506 . 0 0 "[ . 1 . 2]" 2
523 1 63 THR MG 2 7 LEU QD . . 4.400 1.900 1.849 1.967 . 0 0 "[ . 1 . 2]" 2
524 1 64 LEU H 1 64 LEU HB2 . . 3.880 3.852 2.700 4.158 0.278 4 0 "[ . 1 . 2]" 2
525 1 64 LEU H 1 64 LEU HB3 . . 3.780 3.395 2.921 3.905 0.125 19 0 "[ . 1 . 2]" 2
526 1 64 LEU MD1 1 65 PRO QD . . 5.880 3.359 2.363 4.339 . 0 0 "[ . 1 . 2]" 2
527 1 67 PRO HB2 1 68 VAL H . . 3.890 3.491 3.281 3.844 . 0 0 "[ . 1 . 2]" 2
528 1 67 PRO HB3 1 68 VAL H . . 4.290 4.103 3.976 4.272 . 0 0 "[ . 1 . 2]" 2
529 1 67 PRO HD2 1 68 VAL H . . 4.970 2.410 2.229 2.670 . 0 0 "[ . 1 . 2]" 2
530 1 67 PRO HD3 1 68 VAL H . . 4.970 3.636 3.530 3.797 . 0 0 "[ . 1 . 2]" 2
531 1 68 VAL H 1 68 VAL MG2 . . 4.540 2.343 2.163 2.649 . 0 0 "[ . 1 . 2]" 2
532 1 68 VAL H 1 69 PHE QB . . 5.630 4.211 3.785 4.442 . 0 0 "[ . 1 . 2]" 2
533 1 68 VAL H 1 69 PHE QD . . 7.620 5.717 5.208 6.177 . 0 0 "[ . 1 . 2]" 2
534 1 68 VAL HA 1 71 MET QB . . 3.790 2.864 2.580 3.026 . 0 0 "[ . 1 . 2]" 2
535 1 68 VAL HA 1 71 MET ME . . 4.390 2.794 2.304 3.347 . 0 0 "[ . 1 . 2]" 2
536 1 68 VAL MG1 1 69 PHE H . . 3.800 3.085 3.011 3.143 . 0 0 "[ . 1 . 2]" 2
537 1 68 VAL MG1 1 71 MET H . . 5.380 4.208 4.024 4.325 . 0 0 "[ . 1 . 2]" 2
538 1 68 VAL MG1 1 71 MET ME . . 5.760 3.476 2.902 3.718 . 0 0 "[ . 1 . 2]" 2
539 1 68 VAL MG2 1 69 PHE H . . 5.720 3.931 3.862 4.148 . 0 0 "[ . 1 . 2]" 2
540 1 68 VAL MG2 1 71 MET H . . 6.530 5.007 4.674 5.169 . 0 0 "[ . 1 . 2]" 2
541 1 68 VAL MG2 1 71 MET ME . . 6.470 2.858 2.401 3.480 . 0 0 "[ . 1 . 2]" 2
542 1 69 PHE HA 1 73 LEU MD2 . . 5.720 4.648 4.522 4.731 . 0 0 "[ . 1 . 2]" 2
543 1 69 PHE QB 1 70 GLN H . . 4.550 2.710 2.444 3.141 . 0 0 "[ . 1 . 2]" 2
544 1 69 PHE QD 1 70 GLN H . . 7.220 2.907 2.445 3.601 . 0 0 "[ . 1 . 2]" 2
545 1 69 PHE QD 1 72 LEU H . . 7.620 5.177 4.818 5.436 . 0 0 "[ . 1 . 2]" 2
546 1 69 PHE QD 1 72 LEU MD2 . . 8.030 3.068 2.171 5.098 . 0 0 "[ . 1 . 2]" 2
547 1 69 PHE QD 1 73 LEU MD1 . . 7.840 3.791 3.006 4.166 . 0 0 "[ . 1 . 2]" 2
548 1 69 PHE QD 1 73 LEU MD2 . . 7.660 3.487 2.932 3.903 . 0 0 "[ . 1 . 2]" 2
549 1 69 PHE QE 1 72 LEU MD2 . . 8.650 4.516 3.470 5.967 . 0 0 "[ . 1 . 2]" 2
550 1 69 PHE QE 1 73 LEU MD2 . . 7.840 2.755 2.272 3.640 . 0 0 "[ . 1 . 2]" 2
551 1 69 PHE HZ 1 73 LEU MD1 . . 4.980 2.807 2.622 3.709 . 0 0 "[ . 1 . 2]" 2
552 1 70 GLN H 1 70 GLN QB . . 3.740 2.359 2.098 2.741 . 0 0 "[ . 1 . 2]" 2
553 1 70 GLN H 1 70 GLN QG . . 4.640 3.543 1.974 4.127 . 0 0 "[ . 1 . 2]" 2
554 1 70 GLN H 1 70 GLN QE . . 6.370 4.576 3.213 4.989 . 0 0 "[ . 1 . 2]" 2
555 1 70 GLN QG 1 73 LEU MD1 . . 7.400 4.133 3.070 5.316 . 0 0 "[ . 1 . 2]" 2
556 1 70 GLN QG 1 74 THR H . . 6.380 5.028 4.211 5.626 . 0 0 "[ . 1 . 2]" 2
557 1 70 GLN QE 1 71 MET H . . 5.900 4.565 3.813 5.210 . 0 0 "[ . 1 . 2]" 2
558 1 71 MET H 1 71 MET HG2 . . 3.640 3.004 2.608 3.786 0.146 11 0 "[ . 1 . 2]" 2
559 1 71 MET H 1 71 MET HG3 . . 3.640 2.716 2.352 4.185 0.545 11 1 "[ . 1+ . 2]" 2
560 1 71 MET H 1 71 MET ME . . 6.090 4.233 3.962 4.498 . 0 0 "[ . 1 . 2]" 2
561 1 71 MET H 1 74 THR MG . . 5.750 4.607 4.091 4.673 . 0 0 "[ . 1 . 2]" 2
562 1 71 MET HA 1 71 MET HG2 . . 4.260 2.661 2.479 3.924 . 0 0 "[ . 1 . 2]" 2
563 1 71 MET HA 1 71 MET HG3 . . 4.260 3.517 2.620 3.651 . 0 0 "[ . 1 . 2]" 2
564 1 71 MET HA 1 71 MET ME . . 6.190 4.412 4.192 4.572 . 0 0 "[ . 1 . 2]" 2
565 1 71 MET QB 1 71 MET ME . . 4.170 2.203 2.054 2.308 . 0 0 "[ . 1 . 2]" 2
566 1 71 MET QB 1 72 LEU H . . 4.390 2.937 2.586 3.599 . 0 0 "[ . 1 . 2]" 2
567 1 71 MET ME 1 71 MET HG2 . . 4.000 3.310 2.451 3.435 . 0 0 "[ . 1 . 2]" 2
568 1 71 MET HG2 1 72 LEU H . . 5.500 4.639 3.098 4.960 . 0 0 "[ . 1 . 2]" 2
569 1 71 MET ME 1 71 MET HG3 . . 3.800 2.596 2.397 3.415 . 0 0 "[ . 1 . 2]" 2
570 1 71 MET HG3 1 72 LEU H . . 5.500 4.343 3.555 4.556 . 0 0 "[ . 1 . 2]" 2
571 1 72 LEU H 1 72 LEU HB2 . . 3.110 2.931 2.086 3.306 0.196 5 0 "[ . 1 . 2]" 2
572 1 72 LEU H 1 72 LEU HB3 . . 3.110 2.217 2.059 3.031 . 0 0 "[ . 1 . 2]" 2
573 1 72 LEU H 1 72 LEU MD1 . . 5.290 4.343 4.028 4.410 . 0 0 "[ . 1 . 2]" 2
574 1 72 LEU H 1 72 LEU MD2 . . 5.440 4.025 3.939 4.278 . 0 0 "[ . 1 . 2]" 2
575 1 72 LEU HA 1 72 LEU MD1 . . 4.300 2.899 2.593 3.796 . 0 0 "[ . 1 . 2]" 2
576 1 72 LEU HA 1 75 LYS QB . . 5.420 2.493 2.315 2.686 . 0 0 "[ . 1 . 2]" 2
577 1 73 LEU H 1 73 LEU MD1 . . 4.510 3.704 2.600 3.818 . 0 0 "[ . 1 . 2]" 2
578 1 73 LEU H 1 73 LEU MD2 . . 5.010 3.099 2.117 3.563 . 0 0 "[ . 1 . 2]" 2
579 1 73 LEU HA 1 76 LEU QB . . 4.640 3.431 2.941 4.255 . 0 0 "[ . 1 . 2]" 2
580 1 73 LEU QB 1 74 THR H . . 4.240 2.913 2.696 3.887 . 0 0 "[ . 1 . 2]" 2
581 1 73 LEU MD1 1 74 THR H . . 5.690 4.710 4.409 4.837 . 0 0 "[ . 1 . 2]" 2
582 1 73 LEU MD2 1 74 THR H . . 6.190 4.588 2.365 4.905 . 0 0 "[ . 1 . 2]" 2
583 1 73 LEU MD2 1 76 LEU MD1 . . 7.210 3.150 2.512 4.968 . 0 0 "[ . 1 . 2]" 2
584 1 73 LEU MD2 1 76 LEU MD2 . . 7.280 4.799 4.179 4.981 . 0 0 "[ . 1 . 2]" 2
585 1 74 THR H 1 74 THR MG . . 4.020 2.704 2.311 2.865 . 0 0 "[ . 1 . 2]" 2
586 1 74 THR H 1 75 LYS QB . . 4.830 3.984 3.752 4.073 . 0 0 "[ . 1 . 2]" 2
587 1 74 THR H 1 75 LYS QG . . 6.380 4.936 4.021 5.801 . 0 0 "[ . 1 . 2]" 2
588 1 74 THR H 1 76 LEU MD1 . . 6.190 4.900 4.095 5.099 . 0 0 "[ . 1 . 2]" 2
589 1 74 THR HA 1 74 THR MG . . 3.520 3.009 2.448 3.124 . 0 0 "[ . 1 . 2]" 2
590 1 74 THR HA 1 77 PRO HG2 . . 5.000 3.132 2.827 3.451 . 0 0 "[ . 1 . 2]" 2
591 1 74 THR HA 1 77 PRO HG3 . . 5.000 3.591 3.289 4.155 . 0 0 "[ . 1 . 2]" 2
592 1 74 THR HA 1 77 PRO HD2 . . 5.380 2.936 2.685 3.288 . 0 0 "[ . 1 . 2]" 2
593 1 74 THR HA 1 77 PRO HD3 . . 5.380 4.198 3.662 4.801 . 0 0 "[ . 1 . 2]" 2
594 1 75 LYS H 1 75 LYS QG . . 4.800 3.225 2.555 4.000 . 0 0 "[ . 1 . 2]" 2
595 1 75 LYS HA 1 75 LYS HG2 . . 4.140 2.914 2.417 3.700 . 0 0 "[ . 1 . 2]" 2
596 1 75 LYS HA 1 75 LYS HG3 . . 4.140 3.278 2.425 3.684 . 0 0 "[ . 1 . 2]" 2
597 1 75 LYS HA 1 75 LYS HD2 . . 3.890 2.827 2.378 3.925 0.035 20 0 "[ . 1 . 2]" 2
598 1 75 LYS HA 1 75 LYS HD3 . . 3.890 3.473 2.329 4.170 0.280 20 0 "[ . 1 . 2]" 2
599 1 75 LYS HA 1 75 LYS HE2 . . 4.850 4.455 2.242 5.145 0.295 11 0 "[ . 1 . 2]" 2
600 1 75 LYS HA 1 75 LYS HE3 . . 4.850 4.205 3.680 4.969 0.119 6 0 "[ . 1 . 2]" 2
601 1 75 LYS QB 1 76 LEU H . . 4.580 2.803 2.366 3.247 . 0 0 "[ . 1 . 2]" 2
602 1 75 LYS HE2 1 75 LYS HG2 . . 4.170 3.540 2.734 3.758 . 0 0 "[ . 1 . 2]" 2
603 1 75 LYS HE3 1 75 LYS HG2 . . 4.170 3.534 2.494 4.243 0.073 20 0 "[ . 1 . 2]" 2
604 1 75 LYS HE2 1 75 LYS HG3 . . 4.170 2.842 2.337 3.858 . 0 0 "[ . 1 . 2]" 2
605 1 75 LYS HE3 1 75 LYS HG3 . . 4.170 3.264 2.858 3.900 . 0 0 "[ . 1 . 2]" 2
606 1 76 LEU H 1 76 LEU MD1 . . 4.980 3.136 1.882 3.772 . 0 0 "[ . 1 . 2]" 2
607 1 76 LEU H 1 76 LEU MD2 . . 4.980 3.681 2.138 3.928 . 0 0 "[ . 1 . 2]" 2
608 1 76 LEU H 1 77 PRO HD2 . . 5.500 2.489 2.197 2.701 . 0 0 "[ . 1 . 2]" 2
609 1 76 LEU H 1 77 PRO HD3 . . 5.500 3.482 2.811 3.644 . 0 0 "[ . 1 . 2]" 2
610 1 76 LEU HA 1 76 LEU MD1 . . 4.790 3.755 2.924 4.045 . 0 0 "[ . 1 . 2]" 2
611 1 76 LEU HA 1 77 PRO HD2 . . 3.830 3.905 3.835 4.038 0.208 9 0 "[ . 1 . 2]" 2
612 1 76 LEU HA 1 77 PRO HD3 . . 3.830 4.133 3.971 4.234 0.404 17 0 "[ . 1 . 2]" 2
613 1 77 PRO HB2 1 78 THR H . . 3.950 3.242 2.152 4.140 0.190 8 0 "[ . 1 . 2]" 2
614 1 77 PRO HB3 1 78 THR H . . 3.950 3.927 3.403 4.315 0.365 8 0 "[ . 1 . 2]" 2
615 1 77 PRO QG 1 78 THR H . . 5.320 4.273 3.492 4.710 . 0 0 "[ . 1 . 2]" 2
616 1 78 THR H 1 78 THR MG . . 4.420 3.435 2.333 3.803 . 0 0 "[ . 1 . 2]" 2
617 1 78 THR H 1 79 ILE HG12 . . 5.500 5.628 5.310 5.958 0.458 8 0 "[ . 1 . 2]" 2
618 1 78 THR H 1 79 ILE HG13 . . 5.500 5.112 4.436 5.893 0.393 20 0 "[ . 1 . 2]" 2
619 1 78 THR HA 1 81 GLN QB . . 4.330 3.100 2.601 3.610 . 0 0 "[ . 1 . 2]" 2
620 1 78 THR HA 1 81 GLN QG . . 6.380 4.298 2.709 5.227 . 0 0 "[ . 1 . 2]" 2
621 1 78 THR MG 1 79 ILE H . . 5.320 2.903 1.926 3.746 . 0 0 "[ . 1 . 2]" 2
622 1 79 ILE H 1 79 ILE MG . . 4.700 3.760 2.986 3.860 . 0 0 "[ . 1 . 2]" 2
623 1 79 ILE H 1 79 ILE HG12 . . 3.980 3.811 3.661 3.874 . 0 0 "[ . 1 . 2]" 2
624 1 79 ILE H 1 79 ILE HG13 . . 3.980 3.160 2.571 4.328 0.348 20 0 "[ . 1 . 2]" 2
625 1 79 ILE H 1 79 ILE MD . . 4.920 1.977 1.816 4.133 . 0 0 "[ . 1 . 2]" 2
626 1 79 ILE HA 1 79 ILE QG . . 3.910 2.501 2.439 2.521 . 0 0 "[ . 1 . 2]" 2
627 1 79 ILE HA 1 79 ILE MD . . 4.260 3.298 2.216 3.609 . 0 0 "[ . 1 . 2]" 2
628 1 79 ILE HA 1 82 ARG QB . . 4.800 2.802 2.459 3.639 . 0 0 "[ . 1 . 2]" 2
629 1 79 ILE MG 1 80 SER H . . 4.760 3.329 1.883 3.599 . 0 0 "[ . 1 . 2]" 2
630 1 79 ILE MG 1 80 SER HA . . 4.730 3.492 3.081 3.641 . 0 0 "[ . 1 . 2]" 2
631 1 79 ILE HG12 1 80 SER H . . 5.500 5.015 4.856 5.225 . 0 0 "[ . 1 . 2]" 2
632 1 79 ILE HG13 1 80 SER H . . 5.500 4.827 4.648 4.934 . 0 0 "[ . 1 . 2]" 2
633 1 79 ILE MD 1 80 SER H . . 4.570 3.654 3.437 3.715 . 0 0 "[ . 1 . 2]" 2
634 1 80 SER HA 1 83 ILE QG . . 5.290 2.300 2.275 2.327 . 0 0 "[ . 1 . 2]" 2
635 1 80 SER HA 1 83 ILE MD . . 4.510 3.781 3.323 3.823 . 0 0 "[ . 1 . 2]" 2
636 1 81 GLN HA 1 81 GLN QB . . 2.730 2.364 2.264 2.447 . 0 0 "[ . 1 . 2]" 2
637 1 81 GLN QG 1 82 ARG H . . 6.220 4.058 3.603 4.590 . 0 0 "[ . 1 . 2]" 2
638 1 82 ARG H 1 82 ARG QG . . 4.890 3.634 2.104 4.127 . 0 0 "[ . 1 . 2]" 2
639 1 83 ILE H 1 83 ILE HG12 . . 3.730 2.103 2.009 2.531 . 0 0 "[ . 1 . 2]" 2
640 1 83 ILE H 1 83 ILE HG13 . . 3.730 3.559 2.335 3.817 0.087 7 0 "[ . 1 . 2]" 2
641 1 83 ILE H 1 83 ILE MD . . 4.450 2.516 2.331 3.820 . 0 0 "[ . 1 . 2]" 2
642 1 83 ILE HA 1 83 ILE HG12 . . 3.830 3.474 2.558 3.615 . 0 0 "[ . 1 . 2]" 2
643 1 83 ILE HA 1 83 ILE HG13 . . 3.830 3.836 3.616 3.889 0.059 6 0 "[ . 1 . 2]" 2
644 1 83 ILE HA 1 83 ILE MD . . 4.230 2.509 2.394 3.541 . 0 0 "[ . 1 . 2]" 2
645 1 83 ILE HA 1 86 ALA MB . . 4.360 3.024 2.586 3.433 . 0 0 "[ . 1 . 2]" 2
646 1 83 ILE QG 1 84 VAL H . . 3.810 3.452 3.408 3.621 . 0 0 "[ . 1 . 2]" 2
647 1 84 VAL HA 1 84 VAL MG2 . . 3.680 2.444 2.318 2.462 . 0 0 "[ . 1 . 2]" 2
648 1 84 VAL QG 1 85 SER H . . 5.890 3.213 2.245 3.389 . 0 0 "[ . 1 . 2]" 2
649 1 85 SER QB 1 86 ALA H . . 4.270 3.894 3.871 3.908 . 0 0 "[ . 1 . 2]" 2
650 1 86 ALA H 1 86 ALA MB . . 3.580 2.861 2.286 2.965 . 0 0 "[ . 1 . 2]" 2
651 1 86 ALA HA 1 89 LEU QB . . 4.300 3.682 3.341 4.062 . 0 0 "[ . 1 . 2]" 2
652 1 87 GLN H 1 87 GLN HB2 . . 3.210 2.514 2.298 2.924 . 0 0 "[ . 1 . 2]" 2
653 1 87 GLN H 1 87 GLN HB3 . . 3.210 2.748 2.545 3.626 0.416 17 0 "[ . 1 . 2]" 2
654 1 87 GLN H 1 87 GLN QG . . 4.800 4.027 3.956 4.113 . 0 0 "[ . 1 . 2]" 2
655 1 87 GLN H 1 87 GLN QE . . 6.370 4.882 4.322 5.735 . 0 0 "[ . 1 . 2]" 2
656 1 87 GLN QG 1 88 SER H . . 5.690 4.053 3.285 4.492 . 0 0 "[ . 1 . 2]" 2
657 1 88 SER QB 1 89 LEU H . . 4.360 3.090 2.442 4.003 . 0 0 "[ . 1 . 2]" 2
658 1 89 LEU QB 1 90 GLY H . . 4.580 3.958 3.837 4.061 . 0 0 "[ . 1 . 2]" 2
659 1 89 LEU QD 1 90 GLY H . . 7.630 4.270 3.749 4.454 . 0 0 "[ . 1 . 2]" 2
660 1 91 GLU H 1 91 GLU HB2 . . 3.170 2.822 2.163 3.607 0.437 11 0 "[ . 1 . 2]" 2
661 1 91 GLU H 1 91 GLU HB3 . . 3.170 2.900 2.431 3.597 0.427 14 0 "[ . 1 . 2]" 2
662 1 91 GLU HB2 1 92 ASP H . . 4.040 3.992 2.389 4.283 0.243 15 0 "[ . 1 . 2]" 2
663 1 91 GLU HB3 1 92 ASP H . . 4.040 3.596 2.406 4.130 0.090 18 0 "[ . 1 . 2]" 2
664 1 91 GLU QG 1 92 ASP H . . 6.380 2.758 2.127 4.117 . 0 0 "[ . 1 . 2]" 2
665 1 92 ASP H 1 92 ASP HB2 . . 3.610 3.050 2.394 3.758 0.148 16 0 "[ . 1 . 2]" 2
666 1 92 ASP H 1 92 ASP HB3 . . 3.610 2.812 2.391 4.011 0.401 15 0 "[ . 1 . 2]" 2
667 1 93 ASP H 1 93 ASP HB2 . . 3.550 3.103 2.352 3.721 0.171 12 0 "[ . 1 . 2]" 2
668 1 93 ASP H 1 93 ASP HB3 . . 3.550 2.958 2.510 3.597 0.047 9 0 "[ . 1 . 2]" 2
669 2 5 SER HB2 2 8 LEU QB . . 4.500 3.133 2.794 3.446 . 0 0 "[ . 1 . 2]" 2
670 2 5 SER HB3 2 8 LEU QB . . 4.500 3.782 3.293 4.215 . 0 0 "[ . 1 . 2]" 2
671 2 5 SER QB 2 8 LEU QD . . 5.500 3.070 2.689 3.270 . 0 0 "[ . 1 . 2]" 2
672 2 7 LEU HA 2 10 TYR QD . . 4.500 4.438 4.366 4.477 . 0 0 "[ . 1 . 2]" 2
673 2 7 LEU HA 2 10 TYR QE . . 5.500 5.245 5.113 5.289 . 0 0 "[ . 1 . 2]" 2
674 2 7 LEU QB 2 10 TYR QD . . 5.000 3.825 3.655 3.909 . 0 0 "[ . 1 . 2]" 2
675 2 7 LEU QB 2 10 TYR QE . . 5.000 3.780 3.462 3.889 . 0 0 "[ . 1 . 2]" 2
676 2 7 LEU QD 2 10 TYR QD . . 6.000 3.774 3.680 3.836 . 0 0 "[ . 1 . 2]" 2
677 2 7 LEU QD 2 10 TYR QE . . 5.100 2.986 2.914 3.061 . 0 0 "[ . 1 . 2]" 2
678 2 8 LEU HA 2 10 TYR QD . . 4.500 2.437 2.239 2.564 . 0 0 "[ . 1 . 2]" 2
679 2 8 LEU HA 2 10 TYR QE . . 5.000 2.384 2.325 2.554 . 0 0 "[ . 1 . 2]" 2
680 2 8 LEU HA 2 11 ALA MB . . 5.000 3.872 3.734 3.933 . 0 0 "[ . 1 . 2]" 2
681 2 8 LEU QB 2 10 TYR QE . . 6.000 3.764 3.665 3.833 . 0 0 "[ . 1 . 2]" 2
682 2 8 LEU QD 2 10 TYR QD . . 6.200 3.588 3.404 3.654 . 0 0 "[ . 1 . 2]" 2
683 2 8 LEU QD 2 10 TYR QE . . 5.000 2.157 1.995 2.238 . 0 0 "[ . 1 . 2]" 2
684 2 10 TYR QD 2 11 ALA MB . . 4.500 2.474 2.365 2.639 . 0 0 "[ . 1 . 2]" 2
685 2 10 TYR QE 2 11 ALA MB . . 4.500 2.603 2.459 2.667 . 0 0 "[ . 1 . 2]" 2
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