NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
470295 |
1ak8   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ak8
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 942
_Distance_constraint_stats_list.Viol_count 1858
_Distance_constraint_stats_list.Viol_total 3794.386
_Distance_constraint_stats_list.Viol_max 0.746
_Distance_constraint_stats_list.Viol_rms 0.0437
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0076
_Distance_constraint_stats_list.Viol_average_violations_only 0.0888
_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 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 3 ASP 4.859 0.434 4 0 "[ . 1 . 2 ]"
1 4 GLN 11.220 0.591 23 2 "[ . - . 2 +]"
1 5 LEU 5.885 0.285 17 0 "[ . 1 . 2 ]"
1 6 THR 4.773 0.285 17 0 "[ . 1 . 2 ]"
1 7 GLU 2.740 0.306 6 0 "[ . 1 . 2 ]"
1 8 GLU 2.281 0.306 6 0 "[ . 1 . 2 ]"
1 9 GLN 1.374 0.103 6 0 "[ . 1 . 2 ]"
1 10 ILE 13.826 0.350 6 0 "[ . 1 . 2 ]"
1 11 ALA 9.183 0.350 6 0 "[ . 1 . 2 ]"
1 12 GLU 0.782 0.063 10 0 "[ . 1 . 2 ]"
1 13 PHE 1.773 0.088 12 0 "[ . 1 . 2 ]"
1 14 LYS 3.287 0.137 2 0 "[ . 1 . 2 ]"
1 15 GLU 1.311 0.049 19 0 "[ . 1 . 2 ]"
1 16 ALA 0.517 0.049 19 0 "[ . 1 . 2 ]"
1 17 PHE 4.932 0.130 19 0 "[ . 1 . 2 ]"
1 18 SER 1.613 0.122 1 0 "[ . 1 . 2 ]"
1 19 LEU 3.765 0.201 17 0 "[ . 1 . 2 ]"
1 20 PHE 1.904 0.082 9 0 "[ . 1 . 2 ]"
1 21 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 22 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 23 ASP 0.343 0.057 5 0 "[ . 1 . 2 ]"
1 24 GLY 0.343 0.057 5 0 "[ . 1 . 2 ]"
1 25 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 26 GLY 0.229 0.229 11 0 "[ . 1 . 2 ]"
1 27 THR 1.356 0.229 11 0 "[ . 1 . 2 ]"
1 28 ILE 0.772 0.108 2 0 "[ . 1 . 2 ]"
1 29 THR 0.001 0.001 19 0 "[ . 1 . 2 ]"
1 30 THR 1.897 0.124 15 0 "[ . 1 . 2 ]"
1 31 LYS 2.806 0.410 17 0 "[ . 1 . 2 ]"
1 32 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 33 LEU 1.432 0.099 18 0 "[ . 1 . 2 ]"
1 34 GLY 0.355 0.061 11 0 "[ . 1 . 2 ]"
1 35 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 36 VAL 0.369 0.049 10 0 "[ . 1 . 2 ]"
1 37 MET 9.234 0.533 8 3 "[ * + 1 - 2 ]"
1 38 ARG 8.870 0.345 19 0 "[ . 1 . 2 ]"
1 39 SER 0.030 0.030 23 0 "[ . 1 . 2 ]"
1 40 LEU 4.710 0.533 8 3 "[ * + 1 - 2 ]"
1 41 GLY 2.852 0.132 11 0 "[ . 1 . 2 ]"
1 42 GLN 7.248 0.684 23 1 "[ . 1 . 2 +]"
1 43 ASN 7.852 0.684 23 2 "[ . - . 2 +]"
1 44 PRO 18.617 0.746 7 23 [******+*******-********]
1 45 THR 1.519 0.301 20 0 "[ . 1 . 2 ]"
1 46 GLU 0.142 0.024 10 0 "[ . 1 . 2 ]"
1 47 ALA 0.073 0.030 18 0 "[ . 1 . 2 ]"
1 48 GLU 1.109 0.088 20 0 "[ . 1 . 2 ]"
1 49 LEU 7.413 0.183 12 0 "[ . 1 . 2 ]"
1 50 GLN 1.409 0.072 21 0 "[ . 1 . 2 ]"
1 51 ASP 3.738 0.155 14 0 "[ . 1 . 2 ]"
1 52 MET 5.432 0.183 12 0 "[ . 1 . 2 ]"
1 53 ILE 5.710 0.205 1 0 "[ . 1 . 2 ]"
1 54 ASN 0.824 0.066 10 0 "[ . 1 . 2 ]"
1 55 GLU 4.202 0.201 12 0 "[ . 1 . 2 ]"
1 56 VAL 0.022 0.021 18 0 "[ . 1 . 2 ]"
1 57 ASP 3.117 0.163 8 0 "[ . 1 . 2 ]"
1 59 ASP 0.135 0.119 18 0 "[ . 1 . 2 ]"
1 60 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 61 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 62 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 63 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 64 ILE 2.774 0.161 10 0 "[ . 1 . 2 ]"
1 65 ASP 2.437 0.089 8 0 "[ . 1 . 2 ]"
1 66 PHE 0.823 0.088 12 0 "[ . 1 . 2 ]"
1 67 PRO 12.910 0.546 23 23 [-*********************+]
1 68 GLU 0.606 0.095 18 0 "[ . 1 . 2 ]"
1 69 PHE 8.103 0.255 10 0 "[ . 1 . 2 ]"
1 70 LEU 7.426 0.255 10 0 "[ . 1 . 2 ]"
1 71 THR 0.606 0.095 18 0 "[ . 1 . 2 ]"
1 72 MET 4.028 0.126 17 0 "[ . 1 . 2 ]"
1 73 MET 0.393 0.063 1 0 "[ . 1 . 2 ]"
1 74 ALA 0.888 0.071 17 0 "[ . 1 . 2 ]"
1 75 ARG 3.094 0.585 1 2 "[+ - . 1 . 2 ]"
1 76 LYS 1.709 0.585 1 2 "[+ - . 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 ASP H . . 3.900 2.569 2.199 3.608 . 0 0 "[ . 1 . 2 ]" 1
2 1 3 ASP H 1 3 ASP HB2 . . 3.300 2.993 2.155 3.734 0.434 4 0 "[ . 1 . 2 ]" 1
3 1 3 ASP H 1 3 ASP HB3 . . 3.700 3.314 2.406 3.702 0.002 9 0 "[ . 1 . 2 ]" 1
4 1 3 ASP HA 1 4 GLN H . . 3.000 2.530 2.252 3.004 0.004 3 0 "[ . 1 . 2 ]" 1
5 1 3 ASP HB2 1 4 GLN H . . 4.300 4.013 2.379 4.708 0.408 20 0 "[ . 1 . 2 ]" 1
6 1 4 GLN H 1 4 GLN HB2 . . 4.000 3.236 2.633 4.020 0.020 3 0 "[ . 1 . 2 ]" 1
7 1 4 GLN H 1 4 GLN HB3 . . 3.400 3.608 3.038 3.991 0.591 23 2 "[ . - . 2 +]" 1
8 1 4 GLN H 1 4 GLN QG . . 4.800 3.821 2.355 4.300 . 0 0 "[ . 1 . 2 ]" 1
9 1 4 GLN HA 1 4 GLN HB2 . . 2.900 2.743 2.469 3.051 0.151 16 0 "[ . 1 . 2 ]" 1
10 1 4 GLN HA 1 5 LEU H . . 2.600 2.258 2.203 2.456 . 0 0 "[ . 1 . 2 ]" 1
11 1 4 GLN HA 1 5 LEU HG . . 4.100 4.145 4.078 4.236 0.136 16 0 "[ . 1 . 2 ]" 1
12 1 4 GLN HB2 1 5 LEU H . . 4.500 4.360 3.535 4.538 0.038 8 0 "[ . 1 . 2 ]" 1
13 1 4 GLN HB3 1 5 LEU H . . 4.100 3.850 3.092 4.381 0.281 3 0 "[ . 1 . 2 ]" 1
14 1 4 GLN QG 1 5 LEU H . . 6.000 3.100 1.958 4.788 . 0 0 "[ . 1 . 2 ]" 1
15 1 5 LEU H 1 5 LEU HB2 . . 3.600 3.549 3.500 3.696 0.096 18 0 "[ . 1 . 2 ]" 1
16 1 5 LEU H 1 5 LEU HB3 . . 2.900 2.791 2.601 3.021 0.121 18 0 "[ . 1 . 2 ]" 1
17 1 5 LEU H 1 5 LEU HG . . 2.500 2.110 1.933 2.361 . 0 0 "[ . 1 . 2 ]" 1
18 1 5 LEU HA 1 6 THR H . . 2.700 2.725 2.607 2.985 0.285 17 0 "[ . 1 . 2 ]" 1
19 1 5 LEU HB2 1 6 THR H . . 3.700 2.041 1.835 2.202 . 0 0 "[ . 1 . 2 ]" 1
20 1 5 LEU HB2 1 9 GLN HB2 . . 3.700 3.244 2.811 3.803 0.103 6 0 "[ . 1 . 2 ]" 1
21 1 5 LEU HB3 1 6 THR H . . 3.500 3.489 3.341 3.567 0.067 4 0 "[ . 1 . 2 ]" 1
22 1 5 LEU HG 1 6 THR H . . 4.000 3.903 3.191 4.100 0.100 19 0 "[ . 1 . 2 ]" 1
23 1 5 LEU QD 1 6 THR H . . 6.700 2.974 1.911 3.441 . 0 0 "[ . 1 . 2 ]" 1
24 1 6 THR H 1 6 THR HB . . 4.400 3.915 3.455 4.006 . 0 0 "[ . 1 . 2 ]" 1
25 1 6 THR H 1 6 THR MG . . 3.200 2.478 2.445 2.539 . 0 0 "[ . 1 . 2 ]" 1
26 1 6 THR H 1 9 GLN H . . 4.300 3.414 3.031 4.334 0.034 15 0 "[ . 1 . 2 ]" 1
27 1 6 THR H 1 9 GLN HB2 . . 3.400 3.228 2.602 3.441 0.041 20 0 "[ . 1 . 2 ]" 1
28 1 6 THR HA 1 6 THR MG . . 3.300 2.727 2.364 2.822 . 0 0 "[ . 1 . 2 ]" 1
29 1 6 THR HA 1 7 GLU H . . 2.800 2.820 2.334 3.039 0.239 17 0 "[ . 1 . 2 ]" 1
30 1 6 THR HB 1 7 GLU H . . 2.900 2.446 2.305 2.843 . 0 0 "[ . 1 . 2 ]" 1
31 1 6 THR MG 1 7 GLU H . . 4.400 3.767 3.635 3.851 . 0 0 "[ . 1 . 2 ]" 1
32 1 7 GLU H 1 7 GLU QB . . 3.700 2.540 2.324 3.409 . 0 0 "[ . 1 . 2 ]" 1
33 1 7 GLU H 1 7 GLU HG2 . . 3.200 3.141 3.020 3.257 0.057 22 0 "[ . 1 . 2 ]" 1
34 1 7 GLU H 1 7 GLU HG3 . . 3.300 2.235 1.968 3.064 . 0 0 "[ . 1 . 2 ]" 1
35 1 7 GLU H 1 8 GLU H . . 3.300 3.018 2.751 3.606 0.306 6 0 "[ . 1 . 2 ]" 1
36 1 7 GLU H 1 10 ILE MD . . 7.000 5.446 3.551 5.690 . 0 0 "[ . 1 . 2 ]" 1
37 1 7 GLU HA 1 7 GLU HG2 . . 2.900 2.346 2.123 2.499 . 0 0 "[ . 1 . 2 ]" 1
38 1 7 GLU HA 1 7 GLU HG3 . . 3.100 3.084 3.000 3.192 0.092 6 0 "[ . 1 . 2 ]" 1
39 1 7 GLU HA 1 8 GLU H . . 3.900 3.593 3.548 3.646 . 0 0 "[ . 1 . 2 ]" 1
40 1 7 GLU HA 1 10 ILE H . . 4.200 3.048 2.739 4.016 . 0 0 "[ . 1 . 2 ]" 1
41 1 7 GLU HA 1 10 ILE MG . . 5.000 2.721 2.010 3.358 . 0 0 "[ . 1 . 2 ]" 1
42 1 7 GLU HA 1 10 ILE MD . . 5.000 3.770 3.479 4.187 . 0 0 "[ . 1 . 2 ]" 1
43 1 7 GLU HA 1 11 ALA H . . 5.000 4.154 3.549 5.016 0.016 22 0 "[ . 1 . 2 ]" 1
44 1 7 GLU QB 1 8 GLU H . . 4.700 2.647 2.311 2.892 . 0 0 "[ . 1 . 2 ]" 1
45 1 8 GLU H 1 8 GLU HB2 . . 2.900 2.489 2.326 2.671 . 0 0 "[ . 1 . 2 ]" 1
46 1 8 GLU H 1 8 GLU HB3 . . 3.500 3.565 3.536 3.575 0.075 16 0 "[ . 1 . 2 ]" 1
47 1 8 GLU H 1 8 GLU HG2 . . 2.800 2.492 2.058 2.812 0.012 1 0 "[ . 1 . 2 ]" 1
48 1 8 GLU H 1 8 GLU HG3 . . 3.000 2.806 2.517 3.020 0.020 9 0 "[ . 1 . 2 ]" 1
49 1 8 GLU H 1 9 GLN H . . 3.000 2.950 2.453 3.029 0.029 8 0 "[ . 1 . 2 ]" 1
50 1 8 GLU HA 1 8 GLU HB3 . . 3.100 2.586 2.501 2.678 . 0 0 "[ . 1 . 2 ]" 1
51 1 8 GLU HA 1 8 GLU HG2 . . 2.900 2.282 2.126 2.482 . 0 0 "[ . 1 . 2 ]" 1
52 1 8 GLU HA 1 8 GLU HG3 . . 3.800 3.542 3.409 3.692 . 0 0 "[ . 1 . 2 ]" 1
53 1 8 GLU HA 1 9 GLN H . . 3.700 3.599 3.584 3.620 . 0 0 "[ . 1 . 2 ]" 1
54 1 8 GLU HA 1 11 ALA H . . 4.200 3.598 3.289 3.781 . 0 0 "[ . 1 . 2 ]" 1
55 1 8 GLU HA 1 11 ALA MB . . 3.400 2.691 2.560 2.819 . 0 0 "[ . 1 . 2 ]" 1
56 1 8 GLU HB2 1 8 GLU HG2 . . 3.000 2.879 2.790 2.947 . 0 0 "[ . 1 . 2 ]" 1
57 1 8 GLU HB2 1 8 GLU HG3 . . 2.500 2.269 2.264 2.283 . 0 0 "[ . 1 . 2 ]" 1
58 1 8 GLU HB2 1 9 GLN H . . 3.500 2.753 2.574 2.875 . 0 0 "[ . 1 . 2 ]" 1
59 1 8 GLU HB3 1 8 GLU HG2 . . 3.100 2.890 2.815 2.964 . 0 0 "[ . 1 . 2 ]" 1
60 1 8 GLU HB3 1 9 GLN H . . 3.800 3.633 3.347 3.776 . 0 0 "[ . 1 . 2 ]" 1
61 1 9 GLN H 1 9 GLN HB2 . . 3.100 2.074 2.022 2.222 . 0 0 "[ . 1 . 2 ]" 1
62 1 9 GLN H 1 9 GLN HB3 . . 3.500 3.173 2.799 3.497 . 0 0 "[ . 1 . 2 ]" 1
63 1 9 GLN H 1 9 GLN QG . . 4.300 3.713 2.744 3.974 . 0 0 "[ . 1 . 2 ]" 1
64 1 9 GLN H 1 10 ILE H . . 3.100 2.657 2.430 2.956 . 0 0 "[ . 1 . 2 ]" 1
65 1 9 GLN HA 1 9 GLN HB3 . . 3.000 2.893 2.655 3.027 0.027 12 0 "[ . 1 . 2 ]" 1
66 1 9 GLN HA 1 9 GLN QG . . 4.000 2.273 1.958 2.689 . 0 0 "[ . 1 . 2 ]" 1
67 1 9 GLN HA 1 10 ILE H . . 6.000 3.619 3.579 3.637 . 0 0 "[ . 1 . 2 ]" 1
68 1 9 GLN HA 1 12 GLU H . . 4.000 3.557 3.487 3.659 . 0 0 "[ . 1 . 2 ]" 1
69 1 9 GLN HB2 1 10 ILE H . . 3.500 3.179 2.721 3.537 0.037 1 0 "[ . 1 . 2 ]" 1
70 1 9 GLN HB2 1 13 PHE CZ . . 6.700 6.713 6.670 6.752 0.052 17 0 "[ . 1 . 2 ]" 1
71 1 9 GLN HB3 1 13 PHE CZ . . 6.200 5.072 4.968 5.398 . 0 0 "[ . 1 . 2 ]" 1
72 1 10 ILE H 1 10 ILE HB . . 3.100 2.029 2.011 2.083 . 0 0 "[ . 1 . 2 ]" 1
73 1 10 ILE H 1 10 ILE MG . . 3.900 2.856 2.705 2.919 . 0 0 "[ . 1 . 2 ]" 1
74 1 10 ILE H 1 10 ILE HG12 . . 5.100 4.552 4.521 4.587 . 0 0 "[ . 1 . 2 ]" 1
75 1 10 ILE H 1 10 ILE HG13 . . 4.100 4.224 4.166 4.291 0.191 19 0 "[ . 1 . 2 ]" 1
76 1 10 ILE H 1 10 ILE MD . . 4.300 3.297 3.166 3.455 . 0 0 "[ . 1 . 2 ]" 1
77 1 10 ILE H 1 11 ALA H . . 3.200 2.802 2.630 2.909 . 0 0 "[ . 1 . 2 ]" 1
78 1 10 ILE HA 1 10 ILE HG12 . . 3.400 3.473 3.423 3.497 0.097 16 0 "[ . 1 . 2 ]" 1
79 1 10 ILE HA 1 10 ILE HG13 . . 3.100 2.169 2.083 2.227 . 0 0 "[ . 1 . 2 ]" 1
80 1 10 ILE HA 1 10 ILE MD . . 4.000 2.596 2.477 2.805 . 0 0 "[ . 1 . 2 ]" 1
81 1 10 ILE HA 1 11 ALA H . . 4.300 3.611 3.575 3.629 . 0 0 "[ . 1 . 2 ]" 1
82 1 10 ILE HA 1 12 GLU HB2 . . 4.700 4.580 4.492 4.705 0.005 2 0 "[ . 1 . 2 ]" 1
83 1 10 ILE HA 1 13 PHE H . . 3.800 2.886 2.831 2.958 . 0 0 "[ . 1 . 2 ]" 1
84 1 10 ILE HA 1 13 PHE HB2 . . 4.200 2.350 2.147 2.508 . 0 0 "[ . 1 . 2 ]" 1
85 1 10 ILE HA 1 13 PHE HB3 . . 4.000 3.928 3.733 4.072 0.072 8 0 "[ . 1 . 2 ]" 1
86 1 10 ILE HA 1 13 PHE CG . . 5.700 3.274 3.130 3.398 . 0 0 "[ . 1 . 2 ]" 1
87 1 10 ILE HA 1 14 LYS H . . 5.100 4.295 4.045 4.584 . 0 0 "[ . 1 . 2 ]" 1
88 1 10 ILE HA 1 66 PHE CZ . . 7.500 4.589 4.329 4.866 . 0 0 "[ . 1 . 2 ]" 1
89 1 10 ILE HA 1 66 PHE HZ . . 4.300 3.668 3.342 3.984 . 0 0 "[ . 1 . 2 ]" 1
90 1 10 ILE HA 1 70 LEU MD2 . . 4.500 3.202 2.917 3.683 . 0 0 "[ . 1 . 2 ]" 1
91 1 10 ILE HB 1 10 ILE MD . . 3.400 2.017 1.971 2.105 . 0 0 "[ . 1 . 2 ]" 1
92 1 10 ILE HB 1 11 ALA H . . 3.700 3.494 3.385 3.671 . 0 0 "[ . 1 . 2 ]" 1
93 1 10 ILE MG 1 11 ALA H . . 5.100 1.965 1.876 2.310 . 0 0 "[ . 1 . 2 ]" 1
94 1 10 ILE MG 1 14 LYS H . . 7.000 4.056 3.801 4.383 . 0 0 "[ . 1 . 2 ]" 1
95 1 10 ILE MG 1 14 LYS QE . . 6.200 3.015 2.183 3.998 . 0 0 "[ . 1 . 2 ]" 1
96 1 10 ILE MG 1 66 PHE CZ . . 6.400 3.205 3.037 3.371 . 0 0 "[ . 1 . 2 ]" 1
97 1 10 ILE MG 1 66 PHE HZ . . 3.500 2.574 2.384 2.693 . 0 0 "[ . 1 . 2 ]" 1
98 1 10 ILE MG 1 70 LEU MD1 . . 5.900 3.720 3.498 3.825 . 0 0 "[ . 1 . 2 ]" 1
99 1 10 ILE MG 1 70 LEU MD2 . . 5.800 3.884 3.834 3.918 . 0 0 "[ . 1 . 2 ]" 1
100 1 10 ILE HG13 1 11 ALA H . . 4.600 4.730 4.678 4.791 0.191 19 0 "[ . 1 . 2 ]" 1
101 1 10 ILE HG13 1 11 ALA HA . . 5.100 5.367 5.309 5.450 0.350 6 0 "[ . 1 . 2 ]" 1
102 1 10 ILE HG13 1 14 LYS H . . 4.900 4.480 4.204 4.840 . 0 0 "[ . 1 . 2 ]" 1
103 1 10 ILE HG13 1 70 LEU MD2 . . 5.600 1.919 1.867 2.045 . 0 0 "[ . 1 . 2 ]" 1
104 1 10 ILE MD 1 13 PHE CG . . 6.500 3.974 3.663 4.239 . 0 0 "[ . 1 . 2 ]" 1
105 1 10 ILE MD 1 66 PHE CZ . . 8.800 4.333 4.112 4.584 . 0 0 "[ . 1 . 2 ]" 1
106 1 10 ILE MD 1 66 PHE HZ . . 6.100 4.060 3.717 4.245 . 0 0 "[ . 1 . 2 ]" 1
107 1 10 ILE MD 1 70 LEU MD2 . . 4.100 1.843 1.778 1.978 . 0 0 "[ . 1 . 2 ]" 1
108 1 11 ALA H 1 11 ALA HA . . 3.100 2.680 2.656 2.705 . 0 0 "[ . 1 . 2 ]" 1
109 1 11 ALA H 1 11 ALA MB . . 3.000 2.044 1.955 2.165 . 0 0 "[ . 1 . 2 ]" 1
110 1 11 ALA H 1 12 GLU H . . 3.200 2.923 2.871 2.979 . 0 0 "[ . 1 . 2 ]" 1
111 1 11 ALA HA 1 12 GLU H . . 3.700 3.591 3.582 3.598 . 0 0 "[ . 1 . 2 ]" 1
112 1 11 ALA HA 1 14 LYS H . . 3.700 3.510 3.272 3.727 0.027 17 0 "[ . 1 . 2 ]" 1
113 1 11 ALA HA 1 14 LYS QB . . 4.600 3.289 2.747 3.786 . 0 0 "[ . 1 . 2 ]" 1
114 1 11 ALA MB 1 12 GLU H . . 3.300 2.717 2.633 2.807 . 0 0 "[ . 1 . 2 ]" 1
115 1 11 ALA MB 1 14 LYS H . . 5.500 4.595 4.481 4.696 . 0 0 "[ . 1 . 2 ]" 1
116 1 12 GLU H 1 12 GLU HB2 . . 3.300 2.455 2.391 2.524 . 0 0 "[ . 1 . 2 ]" 1
117 1 12 GLU H 1 12 GLU HB3 . . 3.600 3.555 3.543 3.565 . 0 0 "[ . 1 . 2 ]" 1
118 1 12 GLU H 1 12 GLU HG2 . . 3.400 3.381 3.314 3.411 0.011 2 0 "[ . 1 . 2 ]" 1
119 1 12 GLU H 1 12 GLU HG3 . . 2.600 2.153 2.017 2.278 . 0 0 "[ . 1 . 2 ]" 1
120 1 12 GLU H 1 13 PHE H . . 3.000 2.620 2.541 2.701 . 0 0 "[ . 1 . 2 ]" 1
121 1 12 GLU H 1 14 LYS H . . 4.300 3.951 3.891 4.020 . 0 0 "[ . 1 . 2 ]" 1
122 1 12 GLU HA 1 12 GLU HG2 . . 2.700 2.508 2.404 2.652 . 0 0 "[ . 1 . 2 ]" 1
123 1 12 GLU HA 1 12 GLU HG3 . . 3.000 3.003 2.944 3.044 0.044 19 0 "[ . 1 . 2 ]" 1
124 1 12 GLU HA 1 13 PHE H . . 3.800 3.612 3.581 3.636 . 0 0 "[ . 1 . 2 ]" 1
125 1 12 GLU HA 1 16 ALA H . . 5.500 5.423 5.320 5.528 0.028 8 0 "[ . 1 . 2 ]" 1
126 1 12 GLU HB2 1 12 GLU HG2 . . 3.100 3.055 3.049 3.057 . 0 0 "[ . 1 . 2 ]" 1
127 1 12 GLU HB2 1 13 PHE H . . 3.200 2.608 2.428 2.816 . 0 0 "[ . 1 . 2 ]" 1
128 1 12 GLU HB3 1 12 GLU HG2 . . 2.600 2.491 2.430 2.534 . 0 0 "[ . 1 . 2 ]" 1
129 1 12 GLU HB3 1 13 PHE H . . 3.800 3.677 3.504 3.800 0.000 5 0 "[ . 1 . 2 ]" 1
130 1 12 GLU HG2 1 13 PHE H . . 5.000 5.010 4.947 5.063 0.063 10 0 "[ . 1 . 2 ]" 1
131 1 13 PHE H 1 13 PHE HB2 . . 3.100 2.166 2.076 2.263 . 0 0 "[ . 1 . 2 ]" 1
132 1 13 PHE H 1 13 PHE HB3 . . 3.500 3.430 3.394 3.459 . 0 0 "[ . 1 . 2 ]" 1
133 1 13 PHE H 1 14 LYS H . . 3.200 2.714 2.504 2.880 . 0 0 "[ . 1 . 2 ]" 1
134 1 13 PHE H 1 66 PHE HZ . . 5.000 4.278 3.995 4.601 . 0 0 "[ . 1 . 2 ]" 1
135 1 13 PHE CG 1 13 PHE HA . . 3.500 2.723 2.695 2.756 . 0 0 "[ . 1 . 2 ]" 1
136 1 13 PHE CZ 1 13 PHE HA . . 5.300 4.907 4.862 4.958 . 0 0 "[ . 1 . 2 ]" 1
137 1 13 PHE HA 1 14 LYS H . . 4.200 3.565 3.534 3.585 . 0 0 "[ . 1 . 2 ]" 1
138 1 13 PHE HA 1 16 ALA H . . 3.700 3.062 2.950 3.155 . 0 0 "[ . 1 . 2 ]" 1
139 1 13 PHE HA 1 16 ALA MB . . 3.000 2.265 2.149 2.395 . 0 0 "[ . 1 . 2 ]" 1
140 1 13 PHE HA 1 17 PHE H . . 5.700 4.439 4.298 4.614 . 0 0 "[ . 1 . 2 ]" 1
141 1 13 PHE HA 1 69 PHE CZ . . 6.400 5.946 5.657 6.337 . 0 0 "[ . 1 . 2 ]" 1
142 1 13 PHE HB2 1 14 LYS H . . 4.000 2.815 2.702 2.945 . 0 0 "[ . 1 . 2 ]" 1
143 1 13 PHE HB2 1 66 PHE CZ . . 6.900 3.583 3.333 3.832 . 0 0 "[ . 1 . 2 ]" 1
144 1 13 PHE HB2 1 66 PHE HZ . . 3.600 2.801 2.557 3.019 . 0 0 "[ . 1 . 2 ]" 1
145 1 13 PHE HB2 1 70 LEU MD2 . . 4.800 2.519 2.212 3.142 . 0 0 "[ . 1 . 2 ]" 1
146 1 13 PHE HB3 1 14 LYS H . . 3.800 3.579 3.502 3.690 . 0 0 "[ . 1 . 2 ]" 1
147 1 13 PHE HB3 1 66 PHE CZ . . 6.200 3.881 3.803 3.988 . 0 0 "[ . 1 . 2 ]" 1
148 1 13 PHE HB3 1 66 PHE HZ . . 3.500 3.528 3.445 3.588 0.088 12 0 "[ . 1 . 2 ]" 1
149 1 13 PHE HB3 1 69 PHE CG . . 7.000 6.247 6.003 6.590 . 0 0 "[ . 1 . 2 ]" 1
150 1 13 PHE HB3 1 69 PHE CZ . . 5.800 5.195 4.803 5.697 . 0 0 "[ . 1 . 2 ]" 1
151 1 13 PHE HB3 1 70 LEU MD2 . . 3.800 2.242 1.874 2.619 . 0 0 "[ . 1 . 2 ]" 1
152 1 13 PHE CG 1 14 LYS H . . 8.000 4.569 4.486 4.647 . 0 0 "[ . 1 . 2 ]" 1
153 1 13 PHE CG 1 16 ALA MB . . 7.200 4.095 3.977 4.293 . 0 0 "[ . 1 . 2 ]" 1
154 1 13 PHE CG 1 69 PHE CZ . . 8.200 6.467 5.996 6.768 . 0 0 "[ . 1 . 2 ]" 1
155 1 13 PHE CG 1 70 LEU MD1 . . 9.000 5.301 4.906 5.783 . 0 0 "[ . 1 . 2 ]" 1
156 1 13 PHE CG 1 70 LEU MD2 . . 6.500 2.908 2.507 3.459 . 0 0 "[ . 1 . 2 ]" 1
157 1 13 PHE CG 1 73 MET HG2 . . 6.800 6.222 5.964 6.561 . 0 0 "[ . 1 . 2 ]" 1
158 1 13 PHE CG 1 73 MET HG3 . . 6.200 4.697 4.444 5.060 . 0 0 "[ . 1 . 2 ]" 1
159 1 13 PHE CZ 1 70 LEU MD2 . . 8.300 4.160 3.795 4.631 . 0 0 "[ . 1 . 2 ]" 1
160 1 13 PHE CZ 1 73 MET HG2 . . 6.600 6.550 6.294 6.660 0.060 18 0 "[ . 1 . 2 ]" 1
161 1 13 PHE CZ 1 73 MET HG3 . . 5.800 5.478 5.284 5.794 . 0 0 "[ . 1 . 2 ]" 1
162 1 13 PHE CZ 1 73 MET ME . . 9.000 6.148 5.874 6.469 . 0 0 "[ . 1 . 2 ]" 1
163 1 13 PHE CZ 1 74 ALA HA . . 6.500 5.405 4.914 5.949 . 0 0 "[ . 1 . 2 ]" 1
164 1 14 LYS H 1 14 LYS QB . . 3.700 2.404 2.294 2.473 . 0 0 "[ . 1 . 2 ]" 1
165 1 14 LYS H 1 14 LYS HG2 . . 3.000 3.026 2.984 3.074 0.074 5 0 "[ . 1 . 2 ]" 1
166 1 14 LYS H 1 14 LYS HG3 . . 4.100 2.317 2.115 2.686 . 0 0 "[ . 1 . 2 ]" 1
167 1 14 LYS H 1 15 GLU H . . 3.200 3.130 2.992 3.210 0.010 7 0 "[ . 1 . 2 ]" 1
168 1 14 LYS H 1 16 ALA H . . 5.400 4.174 4.103 4.276 . 0 0 "[ . 1 . 2 ]" 1
169 1 14 LYS H 1 66 PHE CZ . . 6.200 3.742 3.535 4.017 . 0 0 "[ . 1 . 2 ]" 1
170 1 14 LYS H 1 66 PHE HZ . . 3.700 2.995 2.672 3.391 . 0 0 "[ . 1 . 2 ]" 1
171 1 14 LYS HA 1 14 LYS HG2 . . 2.200 2.211 2.075 2.301 0.101 7 0 "[ . 1 . 2 ]" 1
172 1 14 LYS HA 1 14 LYS HG3 . . 3.100 3.173 3.131 3.237 0.137 2 0 "[ . 1 . 2 ]" 1
173 1 14 LYS HA 1 14 LYS QD . . 4.500 3.710 3.459 3.947 . 0 0 "[ . 1 . 2 ]" 1
174 1 14 LYS HA 1 15 GLU H . . 3.900 3.638 3.628 3.640 . 0 0 "[ . 1 . 2 ]" 1
175 1 14 LYS HA 1 17 PHE H . . 3.600 3.519 3.374 3.631 0.031 16 0 "[ . 1 . 2 ]" 1
176 1 14 LYS HA 1 17 PHE HB2 . . 3.900 3.517 3.315 3.659 . 0 0 "[ . 1 . 2 ]" 1
177 1 14 LYS HA 1 17 PHE HB3 . . 3.400 3.215 2.998 3.420 0.020 18 0 "[ . 1 . 2 ]" 1
178 1 14 LYS HA 1 17 PHE CG . . 6.500 4.942 4.788 5.079 . 0 0 "[ . 1 . 2 ]" 1
179 1 14 LYS HA 1 66 PHE CG . . 6.200 4.429 4.007 4.826 . 0 0 "[ . 1 . 2 ]" 1
180 1 14 LYS HA 1 66 PHE CZ . . 5.300 3.191 2.987 3.446 . 0 0 "[ . 1 . 2 ]" 1
181 1 14 LYS HA 1 66 PHE HZ . . 3.800 3.262 2.898 3.803 0.003 12 0 "[ . 1 . 2 ]" 1
182 1 14 LYS QB 1 15 GLU H . . 4.700 2.378 2.247 2.506 . 0 0 "[ . 1 . 2 ]" 1
183 1 14 LYS QB 1 66 PHE CZ . . 8.100 4.452 4.293 4.716 . 0 0 "[ . 1 . 2 ]" 1
184 1 14 LYS QB 1 66 PHE HZ . . 5.100 4.172 3.832 4.566 . 0 0 "[ . 1 . 2 ]" 1
185 1 14 LYS QE 1 14 LYS HG2 . . 3.900 2.727 2.032 3.429 . 0 0 "[ . 1 . 2 ]" 1
186 1 14 LYS HG2 1 15 GLU H . . 5.200 4.857 4.821 4.915 . 0 0 "[ . 1 . 2 ]" 1
187 1 14 LYS HG2 1 66 PHE CZ . . 6.900 2.501 2.331 2.777 . 0 0 "[ . 1 . 2 ]" 1
188 1 14 LYS HG2 1 66 PHE HZ . . 3.500 2.486 2.168 2.933 . 0 0 "[ . 1 . 2 ]" 1
189 1 14 LYS HG3 1 66 PHE HZ . . 4.000 2.777 2.436 3.142 . 0 0 "[ . 1 . 2 ]" 1
190 1 14 LYS QE 1 66 PHE CZ . . 8.000 4.134 3.298 5.188 . 0 0 "[ . 1 . 2 ]" 1
191 1 15 GLU H 1 15 GLU HA . . 3.100 2.704 2.675 2.749 . 0 0 "[ . 1 . 2 ]" 1
192 1 15 GLU H 1 15 GLU HB2 . . 3.100 2.497 2.463 2.542 . 0 0 "[ . 1 . 2 ]" 1
193 1 15 GLU H 1 15 GLU HB3 . . 3.600 3.552 3.547 3.557 . 0 0 "[ . 1 . 2 ]" 1
194 1 15 GLU H 1 15 GLU HG2 . . 2.800 2.796 2.739 2.827 0.027 5 0 "[ . 1 . 2 ]" 1
195 1 15 GLU H 1 15 GLU HG3 . . 2.500 2.335 2.243 2.436 . 0 0 "[ . 1 . 2 ]" 1
196 1 15 GLU H 1 16 ALA H . . 3.400 2.848 2.740 2.901 . 0 0 "[ . 1 . 2 ]" 1
197 1 15 GLU HA 1 15 GLU HB2 . . 3.100 3.048 3.043 3.051 . 0 0 "[ . 1 . 2 ]" 1
198 1 15 GLU HA 1 15 GLU HB3 . . 2.800 2.543 2.509 2.575 . 0 0 "[ . 1 . 2 ]" 1
199 1 15 GLU HA 1 15 GLU HG2 . . 2.800 2.276 2.223 2.332 . 0 0 "[ . 1 . 2 ]" 1
200 1 15 GLU HA 1 15 GLU HG3 . . 3.600 3.359 3.327 3.405 . 0 0 "[ . 1 . 2 ]" 1
201 1 15 GLU HA 1 16 ALA H . . 4.300 3.598 3.583 3.612 . 0 0 "[ . 1 . 2 ]" 1
202 1 15 GLU HA 1 18 SER H . . 3.600 3.247 3.176 3.364 . 0 0 "[ . 1 . 2 ]" 1
203 1 15 GLU HB2 1 15 GLU HG2 . . 3.000 3.003 2.990 3.013 0.013 16 0 "[ . 1 . 2 ]" 1
204 1 15 GLU HB2 1 16 ALA H . . 3.700 2.725 2.625 2.824 . 0 0 "[ . 1 . 2 ]" 1
205 1 15 GLU HB3 1 15 GLU HG2 . . 2.700 2.723 2.699 2.747 0.047 23 0 "[ . 1 . 2 ]" 1
206 1 15 GLU HB3 1 16 ALA H . . 3.700 3.719 3.678 3.749 0.049 19 0 "[ . 1 . 2 ]" 1
207 1 16 ALA H 1 16 ALA MB . . 3.000 2.015 1.944 2.091 . 0 0 "[ . 1 . 2 ]" 1
208 1 16 ALA H 1 17 PHE H . . 3.200 2.904 2.818 2.990 . 0 0 "[ . 1 . 2 ]" 1
209 1 16 ALA HA 1 17 PHE H . . 4.400 3.637 3.634 3.640 . 0 0 "[ . 1 . 2 ]" 1
210 1 16 ALA HA 1 19 LEU H . . 4.200 3.513 3.430 3.634 . 0 0 "[ . 1 . 2 ]" 1
211 1 16 ALA HA 1 19 LEU QB . . 5.200 2.966 2.862 3.124 . 0 0 "[ . 1 . 2 ]" 1
212 1 16 ALA HA 1 19 LEU MD1 . . 3.600 2.712 2.488 2.878 . 0 0 "[ . 1 . 2 ]" 1
213 1 16 ALA HA 1 20 PHE CG . . 7.700 6.891 6.757 7.015 . 0 0 "[ . 1 . 2 ]" 1
214 1 16 ALA HA 1 20 PHE CZ . . 7.500 7.373 7.085 7.500 0.000 11 0 "[ . 1 . 2 ]" 1
215 1 16 ALA MB 1 17 PHE H . . 3.100 2.339 2.261 2.441 . 0 0 "[ . 1 . 2 ]" 1
216 1 16 ALA MB 1 20 PHE CG . . 9.000 6.161 5.966 6.262 . 0 0 "[ . 1 . 2 ]" 1
217 1 16 ALA MB 1 20 PHE CZ . . 8.100 6.244 6.004 6.452 . 0 0 "[ . 1 . 2 ]" 1
218 1 16 ALA MB 1 69 PHE CZ . . 6.000 2.911 2.669 3.137 . 0 0 "[ . 1 . 2 ]" 1
219 1 16 ALA MB 1 69 PHE HZ . . 3.500 2.240 1.975 2.536 . 0 0 "[ . 1 . 2 ]" 1
220 1 17 PHE H 1 17 PHE HB2 . . 3.300 2.225 2.161 2.269 . 0 0 "[ . 1 . 2 ]" 1
221 1 17 PHE H 1 17 PHE HB3 . . 3.000 2.490 2.432 2.583 . 0 0 "[ . 1 . 2 ]" 1
222 1 17 PHE H 1 18 SER H . . 3.300 2.780 2.683 2.879 . 0 0 "[ . 1 . 2 ]" 1
223 1 17 PHE H 1 66 PHE CG . . 7.900 6.188 5.840 6.409 . 0 0 "[ . 1 . 2 ]" 1
224 1 17 PHE H 1 66 PHE CZ . . 7.100 5.677 5.422 5.924 . 0 0 "[ . 1 . 2 ]" 1
225 1 17 PHE H 1 69 PHE CG . . 7.200 5.345 5.214 5.558 . 0 0 "[ . 1 . 2 ]" 1
226 1 17 PHE H 1 69 PHE CZ . . 6.200 3.908 3.698 4.117 . 0 0 "[ . 1 . 2 ]" 1
227 1 17 PHE H 1 69 PHE HZ . . 5.300 3.779 3.550 4.104 . 0 0 "[ . 1 . 2 ]" 1
228 1 17 PHE HA 1 17 PHE HB2 . . 2.600 2.568 2.545 2.595 . 0 0 "[ . 1 . 2 ]" 1
229 1 17 PHE HA 1 17 PHE HB3 . . 3.000 3.079 3.077 3.080 0.080 12 0 "[ . 1 . 2 ]" 1
230 1 17 PHE CG 1 17 PHE HA . . 3.600 2.833 2.803 2.859 . 0 0 "[ . 1 . 2 ]" 1
231 1 17 PHE HA 1 18 SER H . . 4.300 3.576 3.563 3.590 . 0 0 "[ . 1 . 2 ]" 1
232 1 17 PHE HA 1 19 LEU H . . 5.600 4.570 4.511 4.672 . 0 0 "[ . 1 . 2 ]" 1
233 1 17 PHE HA 1 20 PHE H . . 4.600 3.668 3.580 3.822 . 0 0 "[ . 1 . 2 ]" 1
234 1 17 PHE HA 1 20 PHE HB2 . . 3.500 3.258 3.115 3.411 . 0 0 "[ . 1 . 2 ]" 1
235 1 17 PHE HA 1 20 PHE CG . . 5.800 4.669 4.473 4.811 . 0 0 "[ . 1 . 2 ]" 1
236 1 17 PHE HA 1 28 ILE MD . . 4.500 2.615 2.384 2.779 . 0 0 "[ . 1 . 2 ]" 1
237 1 17 PHE HA 1 66 PHE CG . . 7.100 6.800 6.493 7.048 . 0 0 "[ . 1 . 2 ]" 1
238 1 17 PHE HA 1 66 PHE CZ . . 8.000 7.299 7.038 7.531 . 0 0 "[ . 1 . 2 ]" 1
239 1 17 PHE HA 1 69 PHE CG . . 6.900 3.797 3.583 4.006 . 0 0 "[ . 1 . 2 ]" 1
240 1 17 PHE HA 1 69 PHE CZ . . 6.300 3.065 2.911 3.186 . 0 0 "[ . 1 . 2 ]" 1
241 1 17 PHE HA 1 69 PHE HZ . . 4.100 3.412 3.276 3.496 . 0 0 "[ . 1 . 2 ]" 1
242 1 17 PHE HB2 1 18 SER H . . 3.800 3.870 3.828 3.922 0.122 1 0 "[ . 1 . 2 ]" 1
243 1 17 PHE HB2 1 66 PHE CG . . 5.600 4.398 4.065 4.664 . 0 0 "[ . 1 . 2 ]" 1
244 1 17 PHE HB2 1 66 PHE CZ . . 5.900 4.788 4.481 5.056 . 0 0 "[ . 1 . 2 ]" 1
245 1 17 PHE HB2 1 69 PHE CG . . 6.600 4.129 3.956 4.282 . 0 0 "[ . 1 . 2 ]" 1
246 1 17 PHE HB2 1 69 PHE CZ . . 6.700 4.010 3.850 4.340 . 0 0 "[ . 1 . 2 ]" 1
247 1 17 PHE HB3 1 18 SER H . . 3.300 2.667 2.590 2.734 . 0 0 "[ . 1 . 2 ]" 1
248 1 17 PHE HB3 1 66 PHE CG . . 6.200 4.987 4.695 5.432 . 0 0 "[ . 1 . 2 ]" 1
249 1 17 PHE HB3 1 66 PHE CZ . . 6.600 5.371 4.875 5.814 . 0 0 "[ . 1 . 2 ]" 1
250 1 17 PHE HB3 1 69 PHE CZ . . 6.700 5.377 5.223 5.574 . 0 0 "[ . 1 . 2 ]" 1
251 1 17 PHE CG 1 18 SER H . . 6.600 4.249 4.146 4.353 . 0 0 "[ . 1 . 2 ]" 1
252 1 17 PHE CG 1 18 SER HA . . 6.300 4.696 4.601 4.805 . 0 0 "[ . 1 . 2 ]" 1
253 1 17 PHE CG 1 28 ILE MD . . 6.500 2.766 2.549 2.919 . 0 0 "[ . 1 . 2 ]" 1
254 1 17 PHE CG 1 66 PHE HA . . 6.500 3.372 2.852 3.747 . 0 0 "[ . 1 . 2 ]" 1
255 1 17 PHE CG 1 66 PHE CG . . 7.900 4.822 4.597 5.191 . 0 0 "[ . 1 . 2 ]" 1
256 1 17 PHE CG 1 66 PHE CZ . . 9.200 6.150 5.722 6.479 . 0 0 "[ . 1 . 2 ]" 1
257 1 17 PHE CG 1 69 PHE H . . 7.800 5.885 5.746 6.050 . 0 0 "[ . 1 . 2 ]" 1
258 1 17 PHE CG 1 69 PHE HA . . 6.900 6.960 6.894 7.030 0.130 19 0 "[ . 1 . 2 ]" 1
259 1 17 PHE CG 1 69 PHE QB . . 7.500 3.952 3.889 4.024 . 0 0 "[ . 1 . 2 ]" 1
260 1 17 PHE CZ 1 26 GLY HA2 . . 6.400 4.356 4.151 4.527 . 0 0 "[ . 1 . 2 ]" 1
261 1 17 PHE CZ 1 28 ILE HG13 . . 6.600 2.368 2.309 2.478 . 0 0 "[ . 1 . 2 ]" 1
262 1 17 PHE CZ 1 28 ILE MD . . 6.300 2.935 2.651 3.083 . 0 0 "[ . 1 . 2 ]" 1
263 1 17 PHE CZ 1 64 ILE MG . . 7.800 3.875 3.592 4.224 . 0 0 "[ . 1 . 2 ]" 1
264 1 17 PHE CZ 1 65 ASP HA . . 3.200 3.101 2.931 3.212 0.012 5 0 "[ . 1 . 2 ]" 1
265 1 17 PHE CZ 1 66 PHE H . . 6.300 3.952 3.745 4.157 . 0 0 "[ . 1 . 2 ]" 1
266 1 17 PHE CZ 1 66 PHE HA . . 5.800 3.555 3.175 4.037 . 0 0 "[ . 1 . 2 ]" 1
267 1 17 PHE CZ 1 69 PHE H . . 8.000 5.454 5.279 5.675 . 0 0 "[ . 1 . 2 ]" 1
268 1 17 PHE CZ 1 69 PHE QB . . 7.200 3.938 3.783 4.081 . 0 0 "[ . 1 . 2 ]" 1
269 1 17 PHE CZ 1 69 PHE CG . . 8.800 5.435 5.241 5.628 . 0 0 "[ . 1 . 2 ]" 1
270 1 17 PHE HZ 1 27 THR HA . . 3.300 1.966 1.933 1.993 . 0 0 "[ . 1 . 2 ]" 1
271 1 17 PHE HZ 1 28 ILE MD . . 7.000 3.426 3.109 3.588 . 0 0 "[ . 1 . 2 ]" 1
272 1 17 PHE HZ 1 65 ASP HA . . 2.350 2.305 2.229 2.367 0.017 17 0 "[ . 1 . 2 ]" 1
273 1 17 PHE HZ 1 66 PHE H . . 4.300 3.888 3.707 4.119 . 0 0 "[ . 1 . 2 ]" 1
274 1 18 SER H 1 18 SER QB . . 3.800 2.250 2.017 2.737 . 0 0 "[ . 1 . 2 ]" 1
275 1 18 SER H 1 19 LEU H . . 3.300 2.803 2.732 2.875 . 0 0 "[ . 1 . 2 ]" 1
276 1 18 SER HA 1 19 LEU H . . 4.700 3.634 3.628 3.639 . 0 0 "[ . 1 . 2 ]" 1
277 1 18 SER HA 1 20 PHE H . . 6.000 4.430 4.133 4.900 . 0 0 "[ . 1 . 2 ]" 1
278 1 18 SER HA 1 21 ASP H . . 3.900 3.121 2.988 3.406 . 0 0 "[ . 1 . 2 ]" 1
279 1 18 SER HA 1 21 ASP HB3 . . 3.700 2.232 2.035 2.424 . 0 0 "[ . 1 . 2 ]" 1
280 1 18 SER QB 1 19 LEU H . . 5.100 2.437 2.334 2.736 . 0 0 "[ . 1 . 2 ]" 1
281 1 19 LEU H 1 19 LEU QB . . 3.600 2.051 2.031 2.069 . 0 0 "[ . 1 . 2 ]" 1
282 1 19 LEU H 1 19 LEU HG . . 3.600 3.746 3.705 3.801 0.201 17 0 "[ . 1 . 2 ]" 1
283 1 19 LEU H 1 19 LEU MD1 . . 4.900 2.592 2.381 2.846 . 0 0 "[ . 1 . 2 ]" 1
284 1 19 LEU H 1 19 LEU MD2 . . 5.300 4.306 4.262 4.360 . 0 0 "[ . 1 . 2 ]" 1
285 1 19 LEU H 1 20 PHE H . . 3.100 3.102 3.028 3.182 0.082 9 0 "[ . 1 . 2 ]" 1
286 1 19 LEU HA 1 19 LEU HG . . 2.700 2.111 2.094 2.130 . 0 0 "[ . 1 . 2 ]" 1
287 1 19 LEU HA 1 19 LEU MD1 . . 3.600 2.965 2.916 3.011 . 0 0 "[ . 1 . 2 ]" 1
288 1 19 LEU HA 1 19 LEU MD2 . . 4.300 3.493 3.457 3.530 . 0 0 "[ . 1 . 2 ]" 1
289 1 19 LEU HA 1 20 PHE H . . 4.000 3.631 3.612 3.640 . 0 0 "[ . 1 . 2 ]" 1
290 1 19 LEU QB 1 20 PHE H . . 4.800 2.573 2.361 2.731 . 0 0 "[ . 1 . 2 ]" 1
291 1 19 LEU QB 1 20 PHE CG . . 7.800 4.097 4.005 4.206 . 0 0 "[ . 1 . 2 ]" 1
292 1 19 LEU HG 1 36 VAL MG2 . . 4.500 3.741 3.707 3.778 . 0 0 "[ . 1 . 2 ]" 1
293 1 19 LEU MD1 1 20 PHE CG . . 9.000 6.401 6.332 6.486 . 0 0 "[ . 1 . 2 ]" 1
294 1 19 LEU MD1 1 20 PHE CZ . . 9.000 6.857 6.635 7.136 . 0 0 "[ . 1 . 2 ]" 1
295 1 19 LEU MD2 1 20 PHE CG . . 7.300 5.352 5.140 5.507 . 0 0 "[ . 1 . 2 ]" 1
296 1 19 LEU MD2 1 36 VAL MG1 . . 4.800 2.999 2.783 3.082 . 0 0 "[ . 1 . 2 ]" 1
297 1 20 PHE H 1 20 PHE HB2 . . 3.100 2.145 2.101 2.184 . 0 0 "[ . 1 . 2 ]" 1
298 1 20 PHE H 1 20 PHE HB3 . . 3.600 3.426 3.409 3.447 . 0 0 "[ . 1 . 2 ]" 1
299 1 20 PHE H 1 21 ASP H . . 2.900 2.583 2.425 2.828 . 0 0 "[ . 1 . 2 ]" 1
300 1 20 PHE H 1 36 VAL MG2 . . 7.000 3.211 2.905 3.457 . 0 0 "[ . 1 . 2 ]" 1
301 1 20 PHE HA 1 20 PHE HB2 . . 3.000 3.065 3.055 3.073 0.073 21 0 "[ . 1 . 2 ]" 1
302 1 20 PHE HA 1 21 ASP H . . 3.700 3.620 3.607 3.630 . 0 0 "[ . 1 . 2 ]" 1
303 1 20 PHE HA 1 28 ILE MG . . 7.000 3.929 3.817 4.126 . 0 0 "[ . 1 . 2 ]" 1
304 1 20 PHE HA 1 28 ILE MD . . 5.900 4.122 4.059 4.190 . 0 0 "[ . 1 . 2 ]" 1
305 1 20 PHE HA 1 36 VAL MG1 . . 6.800 3.737 3.475 3.980 . 0 0 "[ . 1 . 2 ]" 1
306 1 20 PHE HA 1 36 VAL MG2 . . 3.100 1.902 1.772 2.050 . 0 0 "[ . 1 . 2 ]" 1
307 1 20 PHE HB2 1 21 ASP H . . 3.200 2.483 2.378 2.588 . 0 0 "[ . 1 . 2 ]" 1
308 1 20 PHE HB2 1 28 ILE MG . . 5.900 3.189 3.073 3.339 . 0 0 "[ . 1 . 2 ]" 1
309 1 20 PHE HB2 1 28 ILE MD . . 3.600 1.835 1.768 1.919 . 0 0 "[ . 1 . 2 ]" 1
310 1 20 PHE HB2 1 36 VAL MG2 . . 6.000 4.132 3.902 4.397 . 0 0 "[ . 1 . 2 ]" 1
311 1 20 PHE HB3 1 21 ASP H . . 3.800 3.323 3.207 3.422 . 0 0 "[ . 1 . 2 ]" 1
312 1 20 PHE HB3 1 28 ILE MG . . 4.600 2.030 1.900 2.223 . 0 0 "[ . 1 . 2 ]" 1
313 1 20 PHE HB3 1 28 ILE HG13 . . 4.900 4.408 4.259 4.623 . 0 0 "[ . 1 . 2 ]" 1
314 1 20 PHE HB3 1 28 ILE MD . . 3.900 1.953 1.941 1.973 . 0 0 "[ . 1 . 2 ]" 1
315 1 20 PHE HB3 1 33 LEU HA . . 4.300 3.566 3.382 3.789 . 0 0 "[ . 1 . 2 ]" 1
316 1 20 PHE HB3 1 69 PHE CZ . . 7.300 6.406 5.914 6.706 . 0 0 "[ . 1 . 2 ]" 1
317 1 20 PHE CG 1 21 ASP H . . 7.400 4.358 4.278 4.428 . 0 0 "[ . 1 . 2 ]" 1
318 1 20 PHE CG 1 28 ILE MG . . 7.800 3.600 3.380 3.798 . 0 0 "[ . 1 . 2 ]" 1
319 1 20 PHE CG 1 28 ILE MD . . 7.400 3.083 3.007 3.195 . 0 0 "[ . 1 . 2 ]" 1
320 1 20 PHE CG 1 33 LEU HA . . 5.300 4.285 4.022 4.476 . 0 0 "[ . 1 . 2 ]" 1
321 1 20 PHE CG 1 33 LEU MD1 . . 7.700 3.746 3.447 4.111 . 0 0 "[ . 1 . 2 ]" 1
322 1 20 PHE CG 1 33 LEU MD2 . . 9.000 6.049 5.608 6.286 . 0 0 "[ . 1 . 2 ]" 1
323 1 20 PHE CG 1 36 VAL HB . . 6.000 3.893 3.707 4.290 . 0 0 "[ . 1 . 2 ]" 1
324 1 20 PHE CG 1 36 VAL MG1 . . 9.000 3.705 3.532 4.013 . 0 0 "[ . 1 . 2 ]" 1
325 1 20 PHE CG 1 36 VAL MG2 . . 6.800 3.338 3.055 3.666 . 0 0 "[ . 1 . 2 ]" 1
326 1 20 PHE CZ 1 33 LEU HA . . 5.800 5.509 5.105 5.781 . 0 0 "[ . 1 . 2 ]" 1
327 1 20 PHE CZ 1 33 LEU MD1 . . 6.800 4.459 3.969 4.784 . 0 0 "[ . 1 . 2 ]" 1
328 1 20 PHE CZ 1 33 LEU MD2 . . 9.000 5.954 5.506 6.334 . 0 0 "[ . 1 . 2 ]" 1
329 1 20 PHE CZ 1 36 VAL HB . . 5.700 4.367 3.990 4.846 . 0 0 "[ . 1 . 2 ]" 1
330 1 20 PHE CZ 1 36 VAL MG1 . . 6.600 3.097 2.818 3.499 . 0 0 "[ . 1 . 2 ]" 1
331 1 20 PHE CZ 1 36 VAL MG2 . . 7.900 4.307 3.960 4.605 . 0 0 "[ . 1 . 2 ]" 1
332 1 20 PHE CZ 1 69 PHE CZ . . 8.200 5.618 5.038 5.864 . 0 0 "[ . 1 . 2 ]" 1
333 1 20 PHE CZ 1 69 PHE HZ . . 5.800 5.505 4.849 5.806 0.006 10 0 "[ . 1 . 2 ]" 1
334 1 20 PHE CZ 1 73 MET ME . . 8.900 4.474 3.469 4.985 . 0 0 "[ . 1 . 2 ]" 1
335 1 21 ASP H 1 21 ASP HB2 . . 2.900 2.768 2.665 2.851 . 0 0 "[ . 1 . 2 ]" 1
336 1 21 ASP H 1 21 ASP HB3 . . 3.000 2.247 2.169 2.327 . 0 0 "[ . 1 . 2 ]" 1
337 1 21 ASP HA 1 21 ASP HB2 . . 2.700 2.400 2.357 2.444 . 0 0 "[ . 1 . 2 ]" 1
338 1 21 ASP HA 1 22 LYS H . . 2.600 2.353 2.256 2.593 . 0 0 "[ . 1 . 2 ]" 1
339 1 23 ASP H 1 24 GLY H . . 2.750 2.439 1.851 2.807 0.057 5 0 "[ . 1 . 2 ]" 1
340 1 25 ASP H 1 26 GLY H . . 2.750 2.351 1.525 2.658 . 0 0 "[ . 1 . 2 ]" 1
341 1 25 ASP HA 1 25 ASP HB2 . . 3.100 2.518 2.398 2.593 . 0 0 "[ . 1 . 2 ]" 1
342 1 25 ASP HA 1 25 ASP HB3 . . 2.900 2.434 2.370 2.555 . 0 0 "[ . 1 . 2 ]" 1
343 1 26 GLY H 1 26 GLY HA2 . . 2.650 2.473 2.267 2.564 . 0 0 "[ . 1 . 2 ]" 1
344 1 26 GLY H 1 26 GLY HA3 . . 3.000 2.945 2.683 2.961 . 0 0 "[ . 1 . 2 ]" 1
345 1 26 GLY H 1 27 THR H . . 2.750 1.932 1.792 2.979 0.229 11 0 "[ . 1 . 2 ]" 1
346 1 27 THR H 1 27 THR HA . . 3.100 2.932 2.914 2.948 . 0 0 "[ . 1 . 2 ]" 1
347 1 27 THR HA 1 28 ILE H . . 3.200 2.333 2.239 2.504 . 0 0 "[ . 1 . 2 ]" 1
348 1 27 THR HA 1 65 ASP HA . . 2.400 2.448 2.367 2.489 0.089 8 0 "[ . 1 . 2 ]" 1
349 1 28 ILE H 1 28 ILE HB . . 3.400 2.558 2.459 2.685 . 0 0 "[ . 1 . 2 ]" 1
350 1 28 ILE H 1 28 ILE HG13 . . 3.300 2.924 2.765 3.176 . 0 0 "[ . 1 . 2 ]" 1
351 1 28 ILE H 1 28 ILE MD . . 5.400 3.973 3.773 4.255 . 0 0 "[ . 1 . 2 ]" 1
352 1 28 ILE H 1 64 ILE H . . 2.300 2.268 1.920 2.408 0.108 2 0 "[ . 1 . 2 ]" 1
353 1 28 ILE H 1 64 ILE HB . . 4.100 2.933 2.746 3.168 . 0 0 "[ . 1 . 2 ]" 1
354 1 28 ILE HA 1 28 ILE HG12 . . 3.000 2.531 2.446 2.604 . 0 0 "[ . 1 . 2 ]" 1
355 1 28 ILE HA 1 29 THR H . . 2.500 2.211 2.176 2.362 . 0 0 "[ . 1 . 2 ]" 1
356 1 28 ILE HB 1 28 ILE HG13 . . 3.000 2.495 2.447 2.548 . 0 0 "[ . 1 . 2 ]" 1
357 1 28 ILE HB 1 64 ILE H . . 4.000 3.457 2.951 3.671 . 0 0 "[ . 1 . 2 ]" 1
358 1 28 ILE HB 1 64 ILE HB . . 2.800 1.919 1.863 1.982 . 0 0 "[ . 1 . 2 ]" 1
359 1 28 ILE HB 1 64 ILE HG13 . . 5.000 3.803 3.723 3.896 . 0 0 "[ . 1 . 2 ]" 1
360 1 28 ILE MG 1 30 THR HA . . 6.600 4.545 4.481 4.645 . 0 0 "[ . 1 . 2 ]" 1
361 1 28 ILE MG 1 32 GLU H . . 6.800 4.381 4.056 4.682 . 0 0 "[ . 1 . 2 ]" 1
362 1 28 ILE MG 1 32 GLU HB2 . . 4.200 2.737 2.553 2.932 . 0 0 "[ . 1 . 2 ]" 1
363 1 28 ILE MG 1 32 GLU HB3 . . 4.500 2.952 2.753 3.165 . 0 0 "[ . 1 . 2 ]" 1
364 1 28 ILE MG 1 33 LEU H . . 4.400 3.469 3.225 3.646 . 0 0 "[ . 1 . 2 ]" 1
365 1 28 ILE MG 1 33 LEU HA . . 4.900 2.987 2.880 3.147 . 0 0 "[ . 1 . 2 ]" 1
366 1 28 ILE MG 1 33 LEU HB2 . . 4.500 2.509 2.265 2.761 . 0 0 "[ . 1 . 2 ]" 1
367 1 28 ILE MG 1 33 LEU HB3 . . 6.800 3.983 3.769 4.207 . 0 0 "[ . 1 . 2 ]" 1
368 1 28 ILE MG 1 33 LEU HG . . 5.500 3.849 3.563 4.062 . 0 0 "[ . 1 . 2 ]" 1
369 1 28 ILE MG 1 33 LEU MD1 . . 5.500 1.892 1.713 2.004 . 0 0 "[ . 1 . 2 ]" 1
370 1 28 ILE MG 1 33 LEU MD2 . . 5.800 3.973 3.811 4.043 . 0 0 "[ . 1 . 2 ]" 1
371 1 28 ILE MG 1 53 ILE MD . . 7.100 3.399 2.979 3.777 . 0 0 "[ . 1 . 2 ]" 1
372 1 28 ILE MG 1 64 ILE HB . . 4.500 2.996 2.837 3.165 . 0 0 "[ . 1 . 2 ]" 1
373 1 28 ILE MD 1 64 ILE HB . . 4.600 3.607 3.277 3.757 . 0 0 "[ . 1 . 2 ]" 1
374 1 28 ILE MD 1 64 ILE MG . . 5.300 2.809 2.394 3.152 . 0 0 "[ . 1 . 2 ]" 1
375 1 28 ILE MD 1 69 PHE QB . . 7.100 2.712 2.538 2.962 . 0 0 "[ . 1 . 2 ]" 1
376 1 28 ILE MD 1 69 PHE CG . . 6.300 3.415 3.182 3.592 . 0 0 "[ . 1 . 2 ]" 1
377 1 28 ILE MD 1 69 PHE CZ . . 7.400 4.337 4.100 4.621 . 0 0 "[ . 1 . 2 ]" 1
378 1 29 THR HA 1 30 THR H . . 3.100 2.989 2.959 3.101 0.001 19 0 "[ . 1 . 2 ]" 1
379 1 29 THR HA 1 53 ILE MD . . 5.800 2.859 2.616 3.026 . 0 0 "[ . 1 . 2 ]" 1
380 1 29 THR MG 1 30 THR H . . 3.000 2.336 2.180 2.442 . 0 0 "[ . 1 . 2 ]" 1
381 1 29 THR MG 1 31 LYS H . . 4.000 2.259 1.916 2.662 . 0 0 "[ . 1 . 2 ]" 1
382 1 30 THR H 1 30 THR HB . . 3.900 3.481 3.443 3.544 . 0 0 "[ . 1 . 2 ]" 1
383 1 30 THR H 1 30 THR MG . . 3.600 2.622 2.361 2.787 . 0 0 "[ . 1 . 2 ]" 1
384 1 30 THR H 1 31 LYS H . . 3.500 2.437 2.268 2.647 . 0 0 "[ . 1 . 2 ]" 1
385 1 30 THR H 1 53 ILE MD . . 4.500 3.454 3.163 3.727 . 0 0 "[ . 1 . 2 ]" 1
386 1 30 THR HA 1 30 THR HB . . 3.000 2.628 2.547 2.668 . 0 0 "[ . 1 . 2 ]" 1
387 1 30 THR HA 1 30 THR MG . . 3.400 2.316 2.203 2.460 . 0 0 "[ . 1 . 2 ]" 1
388 1 30 THR HA 1 31 LYS H . . 4.300 3.621 3.585 3.633 . 0 0 "[ . 1 . 2 ]" 1
389 1 30 THR HA 1 33 LEU H . . 4.200 3.217 2.910 3.538 . 0 0 "[ . 1 . 2 ]" 1
390 1 30 THR HA 1 33 LEU HB2 . . 3.700 2.981 2.654 3.257 . 0 0 "[ . 1 . 2 ]" 1
391 1 30 THR HA 1 33 LEU HB3 . . 3.600 2.690 2.494 3.195 . 0 0 "[ . 1 . 2 ]" 1
392 1 30 THR HA 1 33 LEU MD1 . . 5.200 4.287 4.150 4.417 . 0 0 "[ . 1 . 2 ]" 1
393 1 30 THR HA 1 33 LEU MD2 . . 5.700 3.355 3.104 3.858 . 0 0 "[ . 1 . 2 ]" 1
394 1 30 THR HA 1 34 GLY H . . 6.000 4.083 3.794 4.399 . 0 0 "[ . 1 . 2 ]" 1
395 1 30 THR HA 1 49 LEU HG . . 5.400 5.482 5.439 5.524 0.124 15 0 "[ . 1 . 2 ]" 1
396 1 30 THR HA 1 49 LEU MD1 . . 5.000 3.284 3.059 3.556 . 0 0 "[ . 1 . 2 ]" 1
397 1 30 THR HA 1 49 LEU MD2 . . 6.200 3.654 3.499 3.843 . 0 0 "[ . 1 . 2 ]" 1
398 1 30 THR HA 1 53 ILE HG13 . . 4.600 3.636 3.429 3.861 . 0 0 "[ . 1 . 2 ]" 1
399 1 30 THR HA 1 53 ILE MD . . 3.600 2.260 1.947 2.771 . 0 0 "[ . 1 . 2 ]" 1
400 1 30 THR HB 1 31 LYS H . . 3.800 3.333 3.011 3.657 . 0 0 "[ . 1 . 2 ]" 1
401 1 30 THR HB 1 49 LEU HB2 . . 4.300 3.146 2.932 3.313 . 0 0 "[ . 1 . 2 ]" 1
402 1 30 THR HB 1 53 ILE MD . . 5.900 4.100 3.805 4.485 . 0 0 "[ . 1 . 2 ]" 1
403 1 30 THR MG 1 31 LYS H . . 5.700 3.977 3.880 4.095 . 0 0 "[ . 1 . 2 ]" 1
404 1 30 THR MG 1 50 GLN HA . . 3.600 2.881 2.363 3.014 . 0 0 "[ . 1 . 2 ]" 1
405 1 30 THR MG 1 50 GLN QG . . 5.100 3.742 3.645 3.828 . 0 0 "[ . 1 . 2 ]" 1
406 1 30 THR MG 1 50 GLN HE21 . . 7.000 3.287 3.097 3.734 . 0 0 "[ . 1 . 2 ]" 1
407 1 30 THR MG 1 50 GLN HE22 . . 6.100 2.459 2.105 3.270 . 0 0 "[ . 1 . 2 ]" 1
408 1 30 THR MG 1 53 ILE MG . . 5.600 3.672 3.527 3.793 . 0 0 "[ . 1 . 2 ]" 1
409 1 30 THR MG 1 53 ILE HG12 . . 5.900 4.308 3.885 4.586 . 0 0 "[ . 1 . 2 ]" 1
410 1 30 THR MG 1 53 ILE HG13 . . 4.600 3.193 2.655 3.608 . 0 0 "[ . 1 . 2 ]" 1
411 1 30 THR MG 1 53 ILE MD . . 4.300 2.122 1.878 2.420 . 0 0 "[ . 1 . 2 ]" 1
412 1 31 LYS H 1 31 LYS QB . . 3.200 2.056 1.991 2.128 . 0 0 "[ . 1 . 2 ]" 1
413 1 31 LYS H 1 31 LYS QG . . 4.200 3.630 3.021 3.836 . 0 0 "[ . 1 . 2 ]" 1
414 1 31 LYS H 1 31 LYS QD . . 4.100 4.138 3.589 4.510 0.410 17 0 "[ . 1 . 2 ]" 1
415 1 31 LYS H 1 32 GLU H . . 3.500 2.787 2.491 3.064 . 0 0 "[ . 1 . 2 ]" 1
416 1 31 LYS HA 1 31 LYS QG . . 3.800 2.111 2.003 2.242 . 0 0 "[ . 1 . 2 ]" 1
417 1 31 LYS HA 1 32 GLU H . . 3.700 3.592 3.487 3.639 . 0 0 "[ . 1 . 2 ]" 1
418 1 31 LYS HA 1 33 LEU H . . 5.400 3.925 3.725 4.450 . 0 0 "[ . 1 . 2 ]" 1
419 1 31 LYS HA 1 34 GLY H . . 4.300 3.172 2.906 3.427 . 0 0 "[ . 1 . 2 ]" 1
420 1 31 LYS HA 1 49 LEU MD1 . . 6.800 3.563 3.250 3.936 . 0 0 "[ . 1 . 2 ]" 1
421 1 31 LYS QB 1 31 LYS QD . . 3.000 2.099 1.952 2.155 . 0 0 "[ . 1 . 2 ]" 1
422 1 31 LYS QB 1 32 GLU H . . 3.900 2.699 2.283 3.140 . 0 0 "[ . 1 . 2 ]" 1
423 1 32 GLU H 1 32 GLU HB2 . . 3.500 2.453 2.353 2.556 . 0 0 "[ . 1 . 2 ]" 1
424 1 32 GLU H 1 32 GLU HB3 . . 4.300 3.562 3.544 3.610 . 0 0 "[ . 1 . 2 ]" 1
425 1 32 GLU H 1 33 LEU H . . 3.400 2.573 2.241 2.904 . 0 0 "[ . 1 . 2 ]" 1
426 1 32 GLU HA 1 33 LEU H . . 4.400 3.499 3.415 3.605 . 0 0 "[ . 1 . 2 ]" 1
427 1 32 GLU HA 1 35 THR H . . 3.900 3.501 3.208 3.796 . 0 0 "[ . 1 . 2 ]" 1
428 1 32 GLU HB2 1 33 LEU H . . 4.400 3.135 2.685 3.396 . 0 0 "[ . 1 . 2 ]" 1
429 1 33 LEU H 1 33 LEU HB2 . . 3.100 2.405 2.186 2.587 . 0 0 "[ . 1 . 2 ]" 1
430 1 33 LEU H 1 33 LEU HB3 . . 3.400 2.654 2.562 2.815 . 0 0 "[ . 1 . 2 ]" 1
431 1 33 LEU H 1 33 LEU HG . . 4.600 4.443 4.356 4.476 . 0 0 "[ . 1 . 2 ]" 1
432 1 33 LEU H 1 33 LEU MD1 . . 5.700 4.002 3.731 4.201 . 0 0 "[ . 1 . 2 ]" 1
433 1 33 LEU H 1 33 LEU MD2 . . 5.300 4.266 4.212 4.375 . 0 0 "[ . 1 . 2 ]" 1
434 1 33 LEU H 1 34 GLY H . . 3.300 2.302 2.169 2.577 . 0 0 "[ . 1 . 2 ]" 1
435 1 33 LEU HA 1 33 LEU HG . . 3.900 2.464 2.259 2.593 . 0 0 "[ . 1 . 2 ]" 1
436 1 33 LEU HA 1 33 LEU MD1 . . 3.600 2.657 2.361 2.889 . 0 0 "[ . 1 . 2 ]" 1
437 1 33 LEU HA 1 33 LEU MD2 . . 4.500 3.777 3.633 3.838 . 0 0 "[ . 1 . 2 ]" 1
438 1 33 LEU HA 1 36 VAL H . . 4.600 4.094 3.901 4.357 . 0 0 "[ . 1 . 2 ]" 1
439 1 33 LEU HA 1 36 VAL HB . . 4.000 3.967 3.794 4.027 0.027 12 0 "[ . 1 . 2 ]" 1
440 1 33 LEU HA 1 36 VAL MG2 . . 5.700 4.654 4.538 4.710 . 0 0 "[ . 1 . 2 ]" 1
441 1 33 LEU HB2 1 34 GLY H . . 3.900 3.855 3.471 3.961 0.061 11 0 "[ . 1 . 2 ]" 1
442 1 33 LEU HB2 1 53 ILE MD . . 5.600 2.990 2.649 3.271 . 0 0 "[ . 1 . 2 ]" 1
443 1 33 LEU HB3 1 33 LEU HG . . 2.700 2.735 2.628 2.799 0.099 18 0 "[ . 1 . 2 ]" 1
444 1 33 LEU HB3 1 34 GLY H . . 3.500 2.927 2.486 3.319 . 0 0 "[ . 1 . 2 ]" 1
445 1 33 LEU HB3 1 49 LEU MD2 . . 4.900 1.957 1.886 2.118 . 0 0 "[ . 1 . 2 ]" 1
446 1 33 LEU HB3 1 53 ILE MD . . 4.500 3.504 3.417 3.564 . 0 0 "[ . 1 . 2 ]" 1
447 1 33 LEU HG 1 34 GLY H . . 4.900 4.624 4.410 4.910 0.010 13 0 "[ . 1 . 2 ]" 1
448 1 33 LEU MD1 1 37 MET HG2 . . 7.000 5.751 5.587 5.817 . 0 0 "[ . 1 . 2 ]" 1
449 1 33 LEU MD1 1 37 MET HG3 . . 7.000 5.555 5.353 5.760 . 0 0 "[ . 1 . 2 ]" 1
450 1 33 LEU MD1 1 49 LEU MD2 . . 5.500 3.749 3.700 3.809 . 0 0 "[ . 1 . 2 ]" 1
451 1 33 LEU MD1 1 53 ILE MD . . 5.600 3.015 2.551 3.343 . 0 0 "[ . 1 . 2 ]" 1
452 1 33 LEU MD1 1 64 ILE MD . . 5.800 3.404 3.128 3.759 . 0 0 "[ . 1 . 2 ]" 1
453 1 33 LEU MD2 1 34 GLY H . . 7.000 4.362 3.924 4.939 . 0 0 "[ . 1 . 2 ]" 1
454 1 33 LEU MD2 1 49 LEU HA . . 5.600 2.735 2.509 3.214 . 0 0 "[ . 1 . 2 ]" 1
455 1 33 LEU MD2 1 49 LEU HB2 . . 6.600 3.712 3.515 4.321 . 0 0 "[ . 1 . 2 ]" 1
456 1 33 LEU MD2 1 49 LEU MD2 . . 5.000 1.745 1.656 1.880 . 0 0 "[ . 1 . 2 ]" 1
457 1 33 LEU MD2 1 52 MET HB3 . . 4.300 3.104 2.547 3.349 . 0 0 "[ . 1 . 2 ]" 1
458 1 33 LEU MD2 1 52 MET HG3 . . 7.000 4.383 4.100 4.801 . 0 0 "[ . 1 . 2 ]" 1
459 1 33 LEU MD2 1 53 ILE H . . 6.800 3.309 2.917 4.119 . 0 0 "[ . 1 . 2 ]" 1
460 1 33 LEU MD2 1 53 ILE HG12 . . 4.900 2.534 2.016 3.063 . 0 0 "[ . 1 . 2 ]" 1
461 1 33 LEU MD2 1 53 ILE HG13 . . 5.600 2.329 1.899 2.742 . 0 0 "[ . 1 . 2 ]" 1
462 1 33 LEU MD2 1 53 ILE MD . . 5.100 3.063 2.739 3.317 . 0 0 "[ . 1 . 2 ]" 1
463 1 34 GLY H 1 34 GLY HA2 . . 3.100 2.900 2.797 2.946 . 0 0 "[ . 1 . 2 ]" 1
464 1 34 GLY H 1 34 GLY HA3 . . 2.900 2.298 2.247 2.367 . 0 0 "[ . 1 . 2 ]" 1
465 1 34 GLY H 1 35 THR H . . 3.500 2.506 2.322 2.708 . 0 0 "[ . 1 . 2 ]" 1
466 1 34 GLY H 1 49 LEU MD1 . . 4.400 2.830 2.522 3.041 . 0 0 "[ . 1 . 2 ]" 1
467 1 34 GLY H 1 49 LEU MD2 . . 4.500 2.896 2.523 3.322 . 0 0 "[ . 1 . 2 ]" 1
468 1 34 GLY HA2 1 35 THR H . . 3.800 3.355 3.110 3.607 . 0 0 "[ . 1 . 2 ]" 1
469 1 34 GLY HA2 1 37 MET H . . 4.300 3.521 3.077 3.803 . 0 0 "[ . 1 . 2 ]" 1
470 1 34 GLY HA2 1 37 MET HB2 . . 3.500 2.740 2.381 3.077 . 0 0 "[ . 1 . 2 ]" 1
471 1 34 GLY HA2 1 49 LEU MD1 . . 3.900 2.943 2.798 3.133 . 0 0 "[ . 1 . 2 ]" 1
472 1 34 GLY HA2 1 49 LEU MD2 . . 3.700 2.223 1.964 2.623 . 0 0 "[ . 1 . 2 ]" 1
473 1 34 GLY HA3 1 35 THR H . . 4.100 3.338 2.928 3.536 . 0 0 "[ . 1 . 2 ]" 1
474 1 34 GLY HA3 1 49 LEU MD1 . . 3.800 2.169 1.970 2.414 . 0 0 "[ . 1 . 2 ]" 1
475 1 34 GLY HA3 1 49 LEU MD2 . . 4.300 2.777 2.464 3.164 . 0 0 "[ . 1 . 2 ]" 1
476 1 35 THR H 1 35 THR HB . . 2.900 2.076 1.999 2.279 . 0 0 "[ . 1 . 2 ]" 1
477 1 35 THR H 1 35 THR MG . . 4.100 3.464 3.366 3.623 . 0 0 "[ . 1 . 2 ]" 1
478 1 35 THR H 1 36 VAL H . . 3.400 2.608 1.932 3.167 . 0 0 "[ . 1 . 2 ]" 1
479 1 35 THR H 1 36 VAL MG2 . . 6.900 4.644 4.140 5.052 . 0 0 "[ . 1 . 2 ]" 1
480 1 35 THR HA 1 35 THR MG . . 3.400 2.733 2.639 2.794 . 0 0 "[ . 1 . 2 ]" 1
481 1 35 THR HA 1 36 VAL H . . 4.400 3.621 3.546 3.634 . 0 0 "[ . 1 . 2 ]" 1
482 1 35 THR HA 1 38 ARG H . . 4.200 3.273 3.098 3.617 . 0 0 "[ . 1 . 2 ]" 1
483 1 35 THR HA 1 38 ARG QB . . 4.700 3.331 2.611 4.126 . 0 0 "[ . 1 . 2 ]" 1
484 1 35 THR HA 1 38 ARG HE . . 4.600 2.829 1.935 4.412 . 0 0 "[ . 1 . 2 ]" 1
485 1 35 THR HB 1 36 VAL H . . 3.400 2.747 2.423 3.244 . 0 0 "[ . 1 . 2 ]" 1
486 1 35 THR HB 1 36 VAL MG2 . . 5.900 4.115 3.855 4.187 . 0 0 "[ . 1 . 2 ]" 1
487 1 36 VAL H 1 36 VAL HB . . 2.900 2.146 2.082 2.200 . 0 0 "[ . 1 . 2 ]" 1
488 1 36 VAL H 1 36 VAL MG1 . . 4.200 3.596 3.522 3.637 . 0 0 "[ . 1 . 2 ]" 1
489 1 36 VAL H 1 36 VAL MG2 . . 3.500 2.548 2.381 2.837 . 0 0 "[ . 1 . 2 ]" 1
490 1 36 VAL H 1 37 MET H . . 3.300 2.722 2.291 2.861 . 0 0 "[ . 1 . 2 ]" 1
491 1 36 VAL HA 1 36 VAL MG1 . . 3.600 2.673 2.622 2.733 . 0 0 "[ . 1 . 2 ]" 1
492 1 36 VAL HA 1 36 VAL MG2 . . 3.400 2.162 2.071 2.251 . 0 0 "[ . 1 . 2 ]" 1
493 1 36 VAL HA 1 37 MET H . . 4.200 3.533 3.507 3.598 . 0 0 "[ . 1 . 2 ]" 1
494 1 36 VAL HA 1 38 ARG H . . 4.400 4.329 3.712 4.449 0.049 10 0 "[ . 1 . 2 ]" 1
495 1 36 VAL HA 1 39 SER H . . 3.900 3.478 3.222 3.832 . 0 0 "[ . 1 . 2 ]" 1
496 1 36 VAL HB 1 37 MET H . . 3.200 3.153 2.877 3.218 0.018 5 0 "[ . 1 . 2 ]" 1
497 1 36 VAL MG1 1 37 MET H . . 5.200 3.290 2.989 3.456 . 0 0 "[ . 1 . 2 ]" 1
498 1 36 VAL MG1 1 37 MET HA . . 5.300 3.189 2.999 3.359 . 0 0 "[ . 1 . 2 ]" 1
499 1 36 VAL MG1 1 40 LEU QD . . 6.700 3.257 2.201 4.002 . 0 0 "[ . 1 . 2 ]" 1
500 1 36 VAL MG2 1 37 MET H . . 5.200 4.279 4.172 4.305 . 0 0 "[ . 1 . 2 ]" 1
501 1 37 MET H 1 37 MET HB2 . . 3.200 2.411 2.347 2.554 . 0 0 "[ . 1 . 2 ]" 1
502 1 37 MET H 1 37 MET HB3 . . 3.800 3.520 3.509 3.534 . 0 0 "[ . 1 . 2 ]" 1
503 1 37 MET H 1 37 MET HG2 . . 3.200 2.470 2.235 2.636 . 0 0 "[ . 1 . 2 ]" 1
504 1 37 MET H 1 37 MET HG3 . . 2.800 2.756 2.520 2.875 0.075 8 0 "[ . 1 . 2 ]" 1
505 1 37 MET H 1 38 ARG H . . 3.200 2.627 2.507 2.815 . 0 0 "[ . 1 . 2 ]" 1
506 1 37 MET HA 1 37 MET HB2 . . 3.000 3.069 3.065 3.071 0.071 23 0 "[ . 1 . 2 ]" 1
507 1 37 MET HA 1 37 MET HB3 . . 3.000 2.552 2.483 2.598 . 0 0 "[ . 1 . 2 ]" 1
508 1 37 MET HA 1 37 MET HG2 . . 2.700 2.435 2.369 2.541 . 0 0 "[ . 1 . 2 ]" 1
509 1 37 MET HA 1 37 MET HG3 . . 3.600 3.671 3.624 3.728 0.128 10 0 "[ . 1 . 2 ]" 1
510 1 37 MET HA 1 38 ARG H . . 4.300 3.601 3.546 3.617 . 0 0 "[ . 1 . 2 ]" 1
511 1 37 MET HA 1 40 LEU QB . . 3.000 2.953 2.202 3.533 0.533 8 3 "[ * + 1 - 2 ]" 1
512 1 37 MET HA 1 40 LEU QD . . 6.300 3.840 3.158 4.495 . 0 0 "[ . 1 . 2 ]" 1
513 1 37 MET HA 1 42 GLN QE . . 4.100 4.034 3.333 4.468 0.368 11 0 "[ . 1 . 2 ]" 1
514 1 37 MET HB2 1 37 MET HG2 . . 2.900 2.878 2.839 2.915 0.015 13 0 "[ . 1 . 2 ]" 1
515 1 37 MET HB2 1 37 MET HG3 . . 2.600 2.270 2.269 2.274 . 0 0 "[ . 1 . 2 ]" 1
516 1 37 MET HB2 1 38 ARG H . . 2.900 2.612 2.514 2.895 . 0 0 "[ . 1 . 2 ]" 1
517 1 37 MET HB2 1 42 GLN HB2 . . 3.800 3.796 3.683 3.834 0.034 23 0 "[ . 1 . 2 ]" 1
518 1 37 MET HB2 1 43 ASN HA . . 3.400 3.393 3.119 3.452 0.052 20 0 "[ . 1 . 2 ]" 1
519 1 37 MET HB3 1 37 MET HG2 . . 3.100 2.899 2.860 2.933 . 0 0 "[ . 1 . 2 ]" 1
520 1 37 MET HB3 1 37 MET HG3 . . 3.100 2.876 2.837 2.914 . 0 0 "[ . 1 . 2 ]" 1
521 1 37 MET HB3 1 38 ARG H . . 4.800 3.680 3.543 3.905 . 0 0 "[ . 1 . 2 ]" 1
522 1 38 ARG H 1 38 ARG QB . . 3.600 2.381 2.139 2.647 . 0 0 "[ . 1 . 2 ]" 1
523 1 38 ARG H 1 38 ARG QG . . 4.100 2.344 1.871 3.065 . 0 0 "[ . 1 . 2 ]" 1
524 1 38 ARG H 1 38 ARG HD2 . . 4.400 4.034 2.940 4.690 0.290 16 0 "[ . 1 . 2 ]" 1
525 1 38 ARG H 1 38 ARG HD3 . . 4.600 4.233 2.984 4.644 0.044 18 0 "[ . 1 . 2 ]" 1
526 1 38 ARG H 1 38 ARG HE . . 3.600 3.566 3.235 3.719 0.119 8 0 "[ . 1 . 2 ]" 1
527 1 38 ARG H 1 39 SER H . . 3.200 2.679 2.482 2.936 . 0 0 "[ . 1 . 2 ]" 1
528 1 38 ARG HA 1 38 ARG QG . . 3.900 2.643 2.061 3.380 . 0 0 "[ . 1 . 2 ]" 1
529 1 38 ARG QB 1 38 ARG HD2 . . 3.500 2.534 1.968 3.311 . 0 0 "[ . 1 . 2 ]" 1
530 1 38 ARG QB 1 38 ARG HD3 . . 3.000 2.646 2.039 3.336 0.336 7 0 "[ . 1 . 2 ]" 1
531 1 38 ARG QB 1 38 ARG HE . . 4.400 3.331 2.057 4.009 . 0 0 "[ . 1 . 2 ]" 1
532 1 38 ARG QB 1 39 SER H . . 5.100 3.203 2.319 4.030 . 0 0 "[ . 1 . 2 ]" 1
533 1 38 ARG HD2 1 38 ARG HE . . 2.900 2.734 2.351 2.960 0.060 1 0 "[ . 1 . 2 ]" 1
534 1 38 ARG HD3 1 38 ARG HE . . 2.600 2.790 2.364 2.945 0.345 19 0 "[ . 1 . 2 ]" 1
535 1 39 SER H 1 40 LEU H . . 3.200 2.570 1.909 3.067 . 0 0 "[ . 1 . 2 ]" 1
536 1 39 SER HA 1 40 LEU H . . 3.600 3.289 2.808 3.630 0.030 23 0 "[ . 1 . 2 ]" 1
537 1 39 SER QB 1 40 LEU H . . 6.200 3.408 2.464 3.970 . 0 0 "[ . 1 . 2 ]" 1
538 1 40 LEU H 1 40 LEU QB . . 3.100 2.423 1.985 2.825 . 0 0 "[ . 1 . 2 ]" 1
539 1 40 LEU H 1 41 GLY H . . 3.300 2.329 1.875 3.026 . 0 0 "[ . 1 . 2 ]" 1
540 1 40 LEU H 1 42 GLN H . . 3.700 3.113 2.445 3.722 0.022 23 0 "[ . 1 . 2 ]" 1
541 1 40 LEU HA 1 40 LEU HG . . 2.400 2.212 2.083 2.363 . 0 0 "[ . 1 . 2 ]" 1
542 1 40 LEU HA 1 41 GLY H . . 3.500 3.360 2.879 3.632 0.132 11 0 "[ . 1 . 2 ]" 1
543 1 40 LEU QB 1 42 GLN H . . 4.700 3.479 2.812 4.068 . 0 0 "[ . 1 . 2 ]" 1
544 1 40 LEU QB 1 42 GLN QE . . 4.700 3.599 1.917 5.007 0.307 18 0 "[ . 1 . 2 ]" 1
545 1 40 LEU QB 1 41 GLY H . . 4.100 2.995 1.899 3.917 . 0 0 "[ . 1 . 2 ]" 1
546 1 40 LEU QD 1 42 GLN H . . 7.900 4.542 3.927 5.019 . 0 0 "[ . 1 . 2 ]" 1
547 1 41 GLY H 1 41 GLY HA2 . . 2.800 2.480 2.246 2.844 0.044 22 0 "[ . 1 . 2 ]" 1
548 1 41 GLY HA2 1 42 GLN H . . 3.300 3.037 2.852 3.294 . 0 0 "[ . 1 . 2 ]" 1
549 1 41 GLY HA3 1 42 GLN H . . 3.500 3.559 3.411 3.626 0.126 3 0 "[ . 1 . 2 ]" 1
550 1 42 GLN H 1 42 GLN HB2 . . 3.100 2.485 2.075 2.756 . 0 0 "[ . 1 . 2 ]" 1
551 1 42 GLN H 1 42 GLN HB3 . . 3.600 3.610 3.352 3.713 0.113 20 0 "[ . 1 . 2 ]" 1
552 1 42 GLN H 1 42 GLN QG . . 4.100 3.353 2.964 3.722 . 0 0 "[ . 1 . 2 ]" 1
553 1 42 GLN H 1 43 ASN H . . 4.400 4.351 2.513 4.494 0.094 17 0 "[ . 1 . 2 ]" 1
554 1 42 GLN HA 1 42 GLN HB3 . . 2.900 2.674 2.574 2.792 . 0 0 "[ . 1 . 2 ]" 1
555 1 42 GLN HA 1 42 GLN QG . . 3.900 2.167 2.014 2.332 . 0 0 "[ . 1 . 2 ]" 1
556 1 42 GLN HA 1 43 ASN H . . 2.900 2.713 2.561 3.584 0.684 23 1 "[ . 1 . 2 +]" 1
557 1 42 GLN HB2 1 43 ASN H . . 3.700 3.553 3.090 3.737 0.037 2 0 "[ . 1 . 2 ]" 1
558 1 42 GLN HB2 1 44 PRO QD . . 3.800 3.469 3.169 3.662 . 0 0 "[ . 1 . 2 ]" 1
559 1 42 GLN HB3 1 43 ASN H . . 3.300 2.176 1.992 3.317 0.017 23 0 "[ . 1 . 2 ]" 1
560 1 42 GLN QG 1 43 ASN H . . 5.200 3.492 3.190 4.503 . 0 0 "[ . 1 . 2 ]" 1
561 1 43 ASN H 1 43 ASN HB2 . . 3.700 3.487 3.121 3.804 0.104 2 0 "[ . 1 . 2 ]" 1
562 1 43 ASN H 1 43 ASN HB3 . . 3.600 3.371 3.213 3.800 0.200 2 0 "[ . 1 . 2 ]" 1
563 1 43 ASN H 1 43 ASN HD21 . . 6.000 5.471 4.757 5.653 . 0 0 "[ . 1 . 2 ]" 1
564 1 43 ASN H 1 44 PRO QD . . 3.600 2.116 1.935 2.518 . 0 0 "[ . 1 . 2 ]" 1
565 1 43 ASN HA 1 43 ASN HB3 . . 3.100 2.981 2.319 3.066 . 0 0 "[ . 1 . 2 ]" 1
566 1 43 ASN HA 1 44 PRO QG . . 4.900 4.174 4.121 4.230 . 0 0 "[ . 1 . 2 ]" 1
567 1 43 ASN HA 1 44 PRO QD . . 2.900 2.219 2.166 2.275 . 0 0 "[ . 1 . 2 ]" 1
568 1 43 ASN HB2 1 43 ASN HD21 . . 2.700 2.522 2.102 3.235 0.535 10 1 "[ . + . 2 ]" 1
569 1 43 ASN HB2 1 43 ASN HD22 . . 3.500 3.632 3.445 3.976 0.476 10 0 "[ . 1 . 2 ]" 1
570 1 43 ASN HB2 1 44 PRO QD . . 4.700 4.265 4.184 4.322 . 0 0 "[ . 1 . 2 ]" 1
571 1 43 ASN HB3 1 43 ASN HD21 . . 3.200 2.633 2.102 3.272 0.072 9 0 "[ . 1 . 2 ]" 1
572 1 43 ASN HB3 1 43 ASN HD22 . . 4.000 3.683 3.445 3.997 . 0 0 "[ . 1 . 2 ]" 1
573 1 44 PRO HA 1 44 PRO QG . . 3.500 3.496 3.495 3.497 . 0 0 "[ . 1 . 2 ]" 1
574 1 44 PRO HA 1 45 THR H . . 2.900 2.223 2.149 2.424 . 0 0 "[ . 1 . 2 ]" 1
575 1 44 PRO HA 1 48 GLU QB . . 5.100 3.501 3.196 4.068 . 0 0 "[ . 1 . 2 ]" 1
576 1 44 PRO QB 1 45 THR H . . 3.200 3.156 2.635 3.501 0.301 20 0 "[ . 1 . 2 ]" 1
577 1 44 PRO QB 1 48 GLU QB . . 4.600 1.987 1.940 2.466 . 0 0 "[ . 1 . 2 ]" 1
578 1 44 PRO QB 1 49 LEU MD1 . . 4.600 3.694 3.414 3.806 . 0 0 "[ . 1 . 2 ]" 1
579 1 44 PRO QB 1 44 PRO QD . . 2.300 3.046 3.045 3.046 0.746 7 23 [******+*******-********] 1
580 1 44 PRO QB 1 49 LEU MD2 . . 5.000 3.244 2.885 3.672 . 0 0 "[ . 1 . 2 ]" 1
581 1 44 PRO QG 1 49 LEU MD1 . . 5.400 3.201 2.818 3.373 . 0 0 "[ . 1 . 2 ]" 1
582 1 44 PRO QG 1 49 LEU MD2 . . 4.500 1.968 1.841 2.091 . 0 0 "[ . 1 . 2 ]" 1
583 1 45 THR H 1 45 THR HA . . 3.100 2.799 2.698 2.892 . 0 0 "[ . 1 . 2 ]" 1
584 1 45 THR H 1 45 THR HB . . 3.500 3.494 3.480 3.522 0.022 11 0 "[ . 1 . 2 ]" 1
585 1 45 THR H 1 45 THR MG . . 3.300 2.049 1.904 2.535 . 0 0 "[ . 1 . 2 ]" 1
586 1 45 THR H 1 48 GLU H . . 4.300 3.782 3.404 4.078 . 0 0 "[ . 1 . 2 ]" 1
587 1 45 THR H 1 48 GLU QB . . 4.400 2.915 2.546 3.197 . 0 0 "[ . 1 . 2 ]" 1
588 1 45 THR HA 1 45 THR MG . . 3.300 2.434 2.277 2.610 . 0 0 "[ . 1 . 2 ]" 1
589 1 45 THR HA 1 46 GLU H . . 2.700 2.423 2.341 2.605 . 0 0 "[ . 1 . 2 ]" 1
590 1 45 THR HA 1 47 ALA H . . 4.200 4.028 3.896 4.162 . 0 0 "[ . 1 . 2 ]" 1
591 1 45 THR HA 1 48 GLU H . . 5.700 4.585 4.454 4.933 . 0 0 "[ . 1 . 2 ]" 1
592 1 45 THR HA 1 48 GLU QB . . 5.600 4.551 4.374 4.985 . 0 0 "[ . 1 . 2 ]" 1
593 1 45 THR HB 1 46 GLU H . . 2.800 2.644 2.306 2.806 0.006 11 0 "[ . 1 . 2 ]" 1
594 1 45 THR HB 1 48 GLU H . . 4.500 3.865 3.477 4.482 . 0 0 "[ . 1 . 2 ]" 1
595 1 45 THR MG 1 46 GLU H . . 4.900 3.881 3.731 4.079 . 0 0 "[ . 1 . 2 ]" 1
596 1 45 THR MG 1 48 GLU QB . . 5.500 3.932 3.602 4.078 . 0 0 "[ . 1 . 2 ]" 1
597 1 46 GLU H 1 46 GLU QB . . 3.700 2.119 2.000 2.405 . 0 0 "[ . 1 . 2 ]" 1
598 1 46 GLU H 1 46 GLU QG . . 4.000 3.019 2.211 3.717 . 0 0 "[ . 1 . 2 ]" 1
599 1 46 GLU H 1 47 ALA H . . 3.200 2.686 2.489 2.790 . 0 0 "[ . 1 . 2 ]" 1
600 1 46 GLU H 1 49 LEU MD1 . . 6.300 3.911 3.735 4.102 . 0 0 "[ . 1 . 2 ]" 1
601 1 46 GLU HA 1 46 GLU QG . . 3.300 2.254 1.980 2.760 . 0 0 "[ . 1 . 2 ]" 1
602 1 46 GLU HA 1 47 ALA H . . 4.200 3.505 3.404 3.570 . 0 0 "[ . 1 . 2 ]" 1
603 1 46 GLU HA 1 49 LEU H . . 4.200 3.668 3.565 3.821 . 0 0 "[ . 1 . 2 ]" 1
604 1 46 GLU HA 1 49 LEU HB2 . . 3.600 2.955 2.804 3.011 . 0 0 "[ . 1 . 2 ]" 1
605 1 46 GLU HA 1 49 LEU HB3 . . 4.600 4.576 4.420 4.624 0.024 10 0 "[ . 1 . 2 ]" 1
606 1 46 GLU HA 1 49 LEU MD1 . . 3.500 2.143 1.986 2.398 . 0 0 "[ . 1 . 2 ]" 1
607 1 46 GLU HA 1 50 GLN H . . 4.700 3.902 3.799 4.051 . 0 0 "[ . 1 . 2 ]" 1
608 1 46 GLU QB 1 47 ALA H . . 4.500 3.083 2.856 3.364 . 0 0 "[ . 1 . 2 ]" 1
609 1 46 GLU QG 1 47 ALA H . . 6.000 4.405 3.492 4.656 . 0 0 "[ . 1 . 2 ]" 1
610 1 47 ALA H 1 47 ALA HA . . 3.000 2.838 2.802 2.878 . 0 0 "[ . 1 . 2 ]" 1
611 1 47 ALA H 1 47 ALA MB . . 3.000 2.083 1.941 2.198 . 0 0 "[ . 1 . 2 ]" 1
612 1 47 ALA H 1 48 GLU H . . 3.200 2.558 2.405 2.662 . 0 0 "[ . 1 . 2 ]" 1
613 1 47 ALA H 1 48 GLU QB . . 5.700 4.259 4.123 4.361 . 0 0 "[ . 1 . 2 ]" 1
614 1 47 ALA H 1 49 LEU MD1 . . 7.000 4.798 4.431 5.089 . 0 0 "[ . 1 . 2 ]" 1
615 1 47 ALA H 1 50 GLN H . . 4.900 4.865 4.692 4.930 0.030 18 0 "[ . 1 . 2 ]" 1
616 1 47 ALA HA 1 48 GLU H . . 4.300 3.617 3.610 3.636 . 0 0 "[ . 1 . 2 ]" 1
617 1 47 ALA HA 1 50 GLN H . . 3.900 3.850 3.725 3.929 0.029 2 0 "[ . 1 . 2 ]" 1
618 1 47 ALA HA 1 50 GLN QB . . 4.400 2.821 2.698 2.885 . 0 0 "[ . 1 . 2 ]" 1
619 1 47 ALA MB 1 48 GLU H . . 3.300 2.563 2.383 2.696 . 0 0 "[ . 1 . 2 ]" 1
620 1 48 GLU H 1 48 GLU QB . . 3.600 2.198 2.181 2.204 . 0 0 "[ . 1 . 2 ]" 1
621 1 48 GLU H 1 49 LEU H . . 2.900 2.912 2.886 2.930 0.030 13 0 "[ . 1 . 2 ]" 1
622 1 48 GLU HA 1 49 LEU H . . 4.000 3.644 3.641 3.646 . 0 0 "[ . 1 . 2 ]" 1
623 1 48 GLU HA 1 51 ASP H . . 3.900 3.467 3.395 3.523 . 0 0 "[ . 1 . 2 ]" 1
624 1 48 GLU HA 1 51 ASP HB2 . . 3.400 2.718 2.593 2.944 . 0 0 "[ . 1 . 2 ]" 1
625 1 48 GLU HA 1 51 ASP HB3 . . 3.900 3.936 3.907 3.988 0.088 20 0 "[ . 1 . 2 ]" 1
626 1 48 GLU QB 1 49 LEU H . . 4.600 2.275 2.187 2.393 . 0 0 "[ . 1 . 2 ]" 1
627 1 49 LEU H 1 49 LEU HB2 . . 3.100 2.569 2.492 2.604 . 0 0 "[ . 1 . 2 ]" 1
628 1 49 LEU H 1 49 LEU HB3 . . 3.500 3.540 3.535 3.543 0.043 8 0 "[ . 1 . 2 ]" 1
629 1 49 LEU H 1 49 LEU HG . . 2.200 1.990 1.924 2.134 . 0 0 "[ . 1 . 2 ]" 1
630 1 49 LEU H 1 49 LEU MD1 . . 4.100 3.077 2.967 3.182 . 0 0 "[ . 1 . 2 ]" 1
631 1 49 LEU H 1 49 LEU MD2 . . 4.400 3.481 3.344 3.634 . 0 0 "[ . 1 . 2 ]" 1
632 1 49 LEU HA 1 49 LEU HG . . 3.300 2.819 2.722 2.905 . 0 0 "[ . 1 . 2 ]" 1
633 1 49 LEU HA 1 49 LEU MD2 . . 3.200 2.422 2.304 2.599 . 0 0 "[ . 1 . 2 ]" 1
634 1 49 LEU HA 1 50 GLN H . . 4.000 3.638 3.636 3.639 . 0 0 "[ . 1 . 2 ]" 1
635 1 49 LEU HA 1 52 MET H . . 4.200 3.046 2.937 3.117 . 0 0 "[ . 1 . 2 ]" 1
636 1 49 LEU HA 1 52 MET HB2 . . 3.600 2.412 2.220 2.572 . 0 0 "[ . 1 . 2 ]" 1
637 1 49 LEU HA 1 52 MET HB3 . . 4.600 3.934 3.776 4.052 . 0 0 "[ . 1 . 2 ]" 1
638 1 49 LEU HA 1 52 MET HG2 . . 4.000 4.138 4.105 4.183 0.183 12 0 "[ . 1 . 2 ]" 1
639 1 49 LEU HA 1 53 ILE H . . 5.200 3.668 3.465 3.978 . 0 0 "[ . 1 . 2 ]" 1
640 1 49 LEU HB2 1 49 LEU HG . . 3.000 2.650 2.612 2.678 . 0 0 "[ . 1 . 2 ]" 1
641 1 49 LEU HB2 1 49 LEU MD1 . . 3.100 2.149 2.007 2.228 . 0 0 "[ . 1 . 2 ]" 1
642 1 49 LEU HB2 1 50 GLN H . . 3.400 2.351 2.318 2.391 . 0 0 "[ . 1 . 2 ]" 1
643 1 49 LEU HB3 1 49 LEU HG . . 3.100 2.998 2.986 3.011 . 0 0 "[ . 1 . 2 ]" 1
644 1 49 LEU HB3 1 49 LEU MD1 . . 3.600 2.639 2.545 2.699 . 0 0 "[ . 1 . 2 ]" 1
645 1 49 LEU HB3 1 49 LEU MD2 . . 3.300 2.177 2.047 2.275 . 0 0 "[ . 1 . 2 ]" 1
646 1 49 LEU HB3 1 50 GLN H . . 3.400 3.440 3.334 3.472 0.072 21 0 "[ . 1 . 2 ]" 1
647 1 49 LEU HG 1 50 GLN H . . 5.100 4.347 4.282 4.445 . 0 0 "[ . 1 . 2 ]" 1
648 1 49 LEU MD1 1 50 GLN H . . 4.900 4.016 3.913 4.079 . 0 0 "[ . 1 . 2 ]" 1
649 1 49 LEU MD2 1 50 GLN H . . 6.500 4.769 4.740 4.788 . 0 0 "[ . 1 . 2 ]" 1
650 1 50 GLN H 1 50 GLN QB . . 3.600 2.047 2.021 2.133 . 0 0 "[ . 1 . 2 ]" 1
651 1 50 GLN H 1 50 GLN QG . . 4.300 3.921 3.877 4.010 . 0 0 "[ . 1 . 2 ]" 1
652 1 50 GLN H 1 50 GLN HE22 . . 5.900 5.438 5.210 5.889 . 0 0 "[ . 1 . 2 ]" 1
653 1 50 GLN H 1 51 ASP H . . 3.000 2.988 2.945 3.048 0.048 7 0 "[ . 1 . 2 ]" 1
654 1 50 GLN HA 1 50 GLN QG . . 3.300 2.314 2.197 2.495 . 0 0 "[ . 1 . 2 ]" 1
655 1 50 GLN HA 1 51 ASP H . . 4.100 3.609 3.586 3.626 . 0 0 "[ . 1 . 2 ]" 1
656 1 50 GLN HA 1 53 ILE H . . 3.900 3.536 3.332 3.729 . 0 0 "[ . 1 . 2 ]" 1
657 1 50 GLN HA 1 53 ILE HB . . 3.300 2.639 2.425 2.872 . 0 0 "[ . 1 . 2 ]" 1
658 1 50 GLN HA 1 53 ILE MG . . 5.100 3.847 3.707 4.055 . 0 0 "[ . 1 . 2 ]" 1
659 1 50 GLN HA 1 53 ILE MD . . 5.400 3.607 3.322 3.934 . 0 0 "[ . 1 . 2 ]" 1
660 1 50 GLN HA 1 54 ASN H . . 4.300 4.074 3.929 4.284 . 0 0 "[ . 1 . 2 ]" 1
661 1 50 GLN QB 1 51 ASP H . . 4.500 2.633 2.529 2.782 . 0 0 "[ . 1 . 2 ]" 1
662 1 50 GLN HE22 1 50 GLN QG . . 3.800 3.238 3.235 3.244 . 0 0 "[ . 1 . 2 ]" 1
663 1 50 GLN QG 1 51 ASP H . . 5.500 4.242 4.033 4.402 . 0 0 "[ . 1 . 2 ]" 1
664 1 50 GLN QG 1 54 ASN H . . 5.500 4.612 4.351 4.718 . 0 0 "[ . 1 . 2 ]" 1
665 1 50 GLN QG 1 54 ASN HD21 . . 5.500 3.968 3.361 4.575 . 0 0 "[ . 1 . 2 ]" 1
666 1 50 GLN QG 1 54 ASN HD22 . . 4.900 3.587 2.624 4.394 . 0 0 "[ . 1 . 2 ]" 1
667 1 50 GLN HE21 1 53 ILE HB . . 4.400 4.367 4.158 4.426 0.026 10 0 "[ . 1 . 2 ]" 1
668 1 50 GLN HE21 1 53 ILE MG . . 5.200 3.913 3.714 4.034 . 0 0 "[ . 1 . 2 ]" 1
669 1 50 GLN HE22 1 53 ILE MG . . 6.000 4.729 4.450 4.851 . 0 0 "[ . 1 . 2 ]" 1
670 1 51 ASP H 1 51 ASP HA . . 3.100 2.775 2.750 2.814 . 0 0 "[ . 1 . 2 ]" 1
671 1 51 ASP H 1 51 ASP HB2 . . 2.900 2.012 2.003 2.035 . 0 0 "[ . 1 . 2 ]" 1
672 1 51 ASP H 1 51 ASP HB3 . . 3.300 3.202 3.062 3.275 . 0 0 "[ . 1 . 2 ]" 1
673 1 51 ASP H 1 52 MET H . . 3.100 2.596 2.483 2.674 . 0 0 "[ . 1 . 2 ]" 1
674 1 51 ASP HA 1 51 ASP HB2 . . 2.900 2.877 2.811 2.912 0.012 18 0 "[ . 1 . 2 ]" 1
675 1 51 ASP HA 1 51 ASP HB3 . . 2.800 2.899 2.866 2.955 0.155 14 0 "[ . 1 . 2 ]" 1
676 1 51 ASP HA 1 52 MET H . . 4.000 3.612 3.593 3.642 . 0 0 "[ . 1 . 2 ]" 1
677 1 51 ASP HA 1 54 ASN H . . 3.800 3.672 3.258 3.854 0.054 9 0 "[ . 1 . 2 ]" 1
678 1 51 ASP HA 1 54 ASN QB . . 4.300 2.787 2.296 3.740 . 0 0 "[ . 1 . 2 ]" 1
679 1 51 ASP HA 1 54 ASN HD21 . . 3.600 2.681 2.210 3.118 . 0 0 "[ . 1 . 2 ]" 1
680 1 51 ASP HA 1 54 ASN HD22 . . 4.700 4.107 1.918 4.481 . 0 0 "[ . 1 . 2 ]" 1
681 1 51 ASP HA 1 55 GLU H . . 5.400 4.846 3.877 5.431 0.031 5 0 "[ . 1 . 2 ]" 1
682 1 51 ASP HB2 1 52 MET H . . 3.700 3.095 3.013 3.206 . 0 0 "[ . 1 . 2 ]" 1
683 1 51 ASP HB3 1 52 MET H . . 4.300 2.910 2.583 3.115 . 0 0 "[ . 1 . 2 ]" 1
684 1 51 ASP HB3 1 52 MET HA . . 3.800 3.728 3.609 3.805 0.005 18 0 "[ . 1 . 2 ]" 1
685 1 52 MET H 1 52 MET HB2 . . 3.000 2.502 2.481 2.519 . 0 0 "[ . 1 . 2 ]" 1
686 1 52 MET H 1 52 MET HB3 . . 3.600 3.524 3.518 3.536 . 0 0 "[ . 1 . 2 ]" 1
687 1 52 MET H 1 52 MET HG2 . . 3.600 3.346 3.304 3.365 . 0 0 "[ . 1 . 2 ]" 1
688 1 52 MET H 1 52 MET HG3 . . 2.700 1.922 1.899 1.950 . 0 0 "[ . 1 . 2 ]" 1
689 1 52 MET H 1 53 ILE H . . 3.100 2.705 2.555 2.804 . 0 0 "[ . 1 . 2 ]" 1
690 1 52 MET H 1 54 ASN H . . 4.800 4.088 3.776 4.566 . 0 0 "[ . 1 . 2 ]" 1
691 1 52 MET HA 1 52 MET HG2 . . 2.700 2.743 2.716 2.778 0.078 4 0 "[ . 1 . 2 ]" 1
692 1 52 MET HA 1 52 MET HG3 . . 2.900 2.930 2.835 2.983 0.083 18 0 "[ . 1 . 2 ]" 1
693 1 52 MET HA 1 53 ILE H . . 3.700 3.623 3.568 3.643 . 0 0 "[ . 1 . 2 ]" 1
694 1 52 MET HA 1 54 ASN H . . 4.900 4.319 3.897 4.964 0.064 21 0 "[ . 1 . 2 ]" 1
695 1 52 MET HA 1 55 GLU H . . 4.000 3.365 3.106 3.722 . 0 0 "[ . 1 . 2 ]" 1
696 1 52 MET HB2 1 53 ILE H . . 3.500 2.407 2.186 2.792 . 0 0 "[ . 1 . 2 ]" 1
697 1 52 MET HB3 1 52 MET HG2 . . 2.900 2.408 2.398 2.421 . 0 0 "[ . 1 . 2 ]" 1
698 1 52 MET HB3 1 53 ILE H . . 3.700 3.599 3.406 3.846 0.146 12 0 "[ . 1 . 2 ]" 1
699 1 53 ILE H 1 53 ILE HB . . 2.800 2.280 2.215 2.335 . 0 0 "[ . 1 . 2 ]" 1
700 1 53 ILE H 1 53 ILE MG . . 4.500 3.669 3.638 3.692 . 0 0 "[ . 1 . 2 ]" 1
701 1 53 ILE H 1 53 ILE HG12 . . 3.100 3.223 3.125 3.305 0.205 1 0 "[ . 1 . 2 ]" 1
702 1 53 ILE H 1 53 ILE HG13 . . 2.700 2.436 2.270 2.613 . 0 0 "[ . 1 . 2 ]" 1
703 1 53 ILE H 1 53 ILE MD . . 4.700 3.893 3.776 4.005 . 0 0 "[ . 1 . 2 ]" 1
704 1 53 ILE H 1 54 ASN H . . 3.100 2.791 2.444 2.962 . 0 0 "[ . 1 . 2 ]" 1
705 1 53 ILE HA 1 53 ILE MG . . 3.600 2.558 2.476 2.644 . 0 0 "[ . 1 . 2 ]" 1
706 1 53 ILE HA 1 53 ILE HG12 . . 2.700 2.211 2.115 2.282 . 0 0 "[ . 1 . 2 ]" 1
707 1 53 ILE HA 1 53 ILE HG13 . . 3.300 3.138 3.042 3.303 0.003 12 0 "[ . 1 . 2 ]" 1
708 1 53 ILE HA 1 53 ILE MD . . 4.100 3.567 3.445 3.658 . 0 0 "[ . 1 . 2 ]" 1
709 1 53 ILE HA 1 54 ASN H . . 4.000 3.594 3.518 3.639 . 0 0 "[ . 1 . 2 ]" 1
710 1 53 ILE HA 1 56 VAL H . . 4.700 3.358 3.116 3.823 . 0 0 "[ . 1 . 2 ]" 1
711 1 53 ILE HA 1 56 VAL MG2 . . 4.300 2.213 1.927 2.728 . 0 0 "[ . 1 . 2 ]" 1
712 1 53 ILE HA 1 64 ILE HG12 . . 4.600 3.622 3.371 3.952 . 0 0 "[ . 1 . 2 ]" 1
713 1 53 ILE HA 1 64 ILE HG13 . . 4.400 3.068 2.787 3.333 . 0 0 "[ . 1 . 2 ]" 1
714 1 53 ILE HA 1 64 ILE MD . . 4.000 2.054 1.906 2.508 . 0 0 "[ . 1 . 2 ]" 1
715 1 53 ILE HB 1 53 ILE HG12 . . 2.900 2.997 2.968 3.018 0.118 3 0 "[ . 1 . 2 ]" 1
716 1 53 ILE HB 1 53 ILE HG13 . . 2.400 2.318 2.274 2.361 . 0 0 "[ . 1 . 2 ]" 1
717 1 53 ILE HB 1 54 ASN H . . 3.100 2.809 2.404 3.166 0.066 10 0 "[ . 1 . 2 ]" 1
718 1 53 ILE MG 1 54 ASN H . . 4.400 3.252 2.851 3.701 . 0 0 "[ . 1 . 2 ]" 1
719 1 53 ILE MG 1 54 ASN HA . . 4.800 3.295 2.955 3.629 . 0 0 "[ . 1 . 2 ]" 1
720 1 53 ILE MG 1 54 ASN QB . . 8.000 4.445 3.882 4.730 . 0 0 "[ . 1 . 2 ]" 1
721 1 53 ILE MG 1 57 ASP HA . . 6.400 4.630 4.384 5.208 . 0 0 "[ . 1 . 2 ]" 1
722 1 53 ILE MG 1 63 THR HA . . 5.100 3.125 2.658 3.858 . 0 0 "[ . 1 . 2 ]" 1
723 1 53 ILE MG 1 64 ILE HG12 . . 6.000 1.851 1.745 1.910 . 0 0 "[ . 1 . 2 ]" 1
724 1 53 ILE MG 1 64 ILE HG13 . . 5.800 2.548 2.093 2.788 . 0 0 "[ . 1 . 2 ]" 1
725 1 53 ILE MG 1 64 ILE MD . . 6.800 2.043 1.906 2.434 . 0 0 "[ . 1 . 2 ]" 1
726 1 53 ILE HG12 1 64 ILE HG13 . . 5.200 2.221 1.996 2.775 . 0 0 "[ . 1 . 2 ]" 1
727 1 53 ILE HG12 1 64 ILE MD . . 4.900 3.008 2.685 3.340 . 0 0 "[ . 1 . 2 ]" 1
728 1 53 ILE MD 1 63 THR HA . . 4.500 2.863 2.595 3.416 . 0 0 "[ . 1 . 2 ]" 1
729 1 53 ILE MD 1 64 ILE HG12 . . 4.800 2.548 1.971 3.094 . 0 0 "[ . 1 . 2 ]" 1
730 1 53 ILE MD 1 64 ILE HG13 . . 4.400 2.333 1.987 2.668 . 0 0 "[ . 1 . 2 ]" 1
731 1 53 ILE MD 1 64 ILE MD . . 5.400 3.461 3.057 3.688 . 0 0 "[ . 1 . 2 ]" 1
732 1 54 ASN H 1 54 ASN HA . . 3.100 2.745 2.632 2.872 . 0 0 "[ . 1 . 2 ]" 1
733 1 54 ASN H 1 54 ASN QB . . 3.700 2.175 2.071 2.417 . 0 0 "[ . 1 . 2 ]" 1
734 1 54 ASN H 1 55 GLU H . . 3.300 2.716 2.360 3.038 . 0 0 "[ . 1 . 2 ]" 1
735 1 54 ASN HA 1 55 GLU H . . 3.600 3.509 3.217 3.649 0.049 2 0 "[ . 1 . 2 ]" 1
736 1 54 ASN HA 1 57 ASP H . . 3.800 3.483 3.214 3.838 0.038 18 0 "[ . 1 . 2 ]" 1
737 1 54 ASN QB 1 55 GLU H . . 4.600 2.931 2.400 3.907 . 0 0 "[ . 1 . 2 ]" 1
738 1 55 GLU H 1 55 GLU HA . . 3.000 2.786 2.649 2.909 . 0 0 "[ . 1 . 2 ]" 1
739 1 55 GLU H 1 55 GLU HB2 . . 3.000 2.450 2.226 2.628 . 0 0 "[ . 1 . 2 ]" 1
740 1 55 GLU H 1 55 GLU HB3 . . 3.500 3.556 3.499 3.656 0.156 10 0 "[ . 1 . 2 ]" 1
741 1 55 GLU H 1 55 GLU HG2 . . 3.200 3.018 2.632 3.287 0.087 5 0 "[ . 1 . 2 ]" 1
742 1 55 GLU H 1 55 GLU HG3 . . 3.300 2.563 2.010 3.341 0.041 6 0 "[ . 1 . 2 ]" 1
743 1 55 GLU H 1 56 VAL H . . 3.200 2.554 2.015 2.975 . 0 0 "[ . 1 . 2 ]" 1
744 1 55 GLU H 1 56 VAL MG2 . . 6.400 3.455 2.867 4.005 . 0 0 "[ . 1 . 2 ]" 1
745 1 55 GLU HA 1 55 GLU HB2 . . 3.000 3.042 3.000 3.052 0.052 9 0 "[ . 1 . 2 ]" 1
746 1 55 GLU HA 1 55 GLU HB3 . . 3.000 2.548 2.460 2.712 . 0 0 "[ . 1 . 2 ]" 1
747 1 55 GLU HA 1 55 GLU HG2 . . 2.900 2.298 2.056 2.470 . 0 0 "[ . 1 . 2 ]" 1
748 1 55 GLU HA 1 55 GLU HG3 . . 3.600 3.363 3.134 3.519 . 0 0 "[ . 1 . 2 ]" 1
749 1 55 GLU HA 1 56 VAL H . . 4.100 3.536 3.435 3.619 . 0 0 "[ . 1 . 2 ]" 1
750 1 55 GLU HB2 1 55 GLU HG2 . . 3.100 2.989 2.871 3.047 . 0 0 "[ . 1 . 2 ]" 1
751 1 55 GLU HB2 1 55 GLU HG3 . . 2.700 2.334 2.265 2.425 . 0 0 "[ . 1 . 2 ]" 1
752 1 55 GLU HB2 1 56 VAL H . . 4.300 3.007 2.690 3.382 . 0 0 "[ . 1 . 2 ]" 1
753 1 55 GLU HB2 1 56 VAL MG1 . . 5.200 3.868 3.702 4.072 . 0 0 "[ . 1 . 2 ]" 1
754 1 55 GLU HB3 1 55 GLU HG2 . . 2.700 2.730 2.591 2.901 0.201 12 0 "[ . 1 . 2 ]" 1
755 1 55 GLU HB3 1 56 VAL H . . 4.100 3.915 3.394 4.121 0.021 18 0 "[ . 1 . 2 ]" 1
756 1 56 VAL H 1 56 VAL HB . . 4.000 3.476 3.399 3.570 . 0 0 "[ . 1 . 2 ]" 1
757 1 56 VAL H 1 56 VAL MG1 . . 4.100 3.391 3.149 3.500 . 0 0 "[ . 1 . 2 ]" 1
758 1 56 VAL H 1 56 VAL MG2 . . 3.500 1.859 1.822 1.958 . 0 0 "[ . 1 . 2 ]" 1
759 1 56 VAL H 1 57 ASP H . . 2.900 2.482 1.885 2.888 . 0 0 "[ . 1 . 2 ]" 1
760 1 56 VAL H 1 57 ASP HA . . 5.300 4.758 4.516 4.968 . 0 0 "[ . 1 . 2 ]" 1
761 1 56 VAL HA 1 56 VAL HB . . 3.000 2.691 2.602 2.739 . 0 0 "[ . 1 . 2 ]" 1
762 1 56 VAL HA 1 56 VAL MG1 . . 3.400 2.026 1.949 2.129 . 0 0 "[ . 1 . 2 ]" 1
763 1 56 VAL HA 1 57 ASP H . . 4.000 3.127 2.866 3.624 . 0 0 "[ . 1 . 2 ]" 1
764 1 56 VAL MG1 1 57 ASP H . . 5.900 4.361 4.154 4.446 . 0 0 "[ . 1 . 2 ]" 1
765 1 56 VAL MG1 1 64 ILE MG . . 6.800 3.977 3.706 4.517 . 0 0 "[ . 1 . 2 ]" 1
766 1 56 VAL MG1 1 71 THR HB . . 5.000 4.075 3.991 4.117 . 0 0 "[ . 1 . 2 ]" 1
767 1 56 VAL MG1 1 71 THR MG . . 4.500 1.701 1.644 1.903 . 0 0 "[ . 1 . 2 ]" 1
768 1 56 VAL MG1 1 72 MET H . . 4.700 2.426 2.065 2.927 . 0 0 "[ . 1 . 2 ]" 1
769 1 56 VAL MG1 1 72 MET HA . . 3.500 2.916 2.499 3.021 . 0 0 "[ . 1 . 2 ]" 1
770 1 56 VAL MG1 1 72 MET HG2 . . 4.500 2.585 2.173 2.910 . 0 0 "[ . 1 . 2 ]" 1
771 1 56 VAL MG2 1 57 ASP H . . 4.700 3.271 1.923 3.855 . 0 0 "[ . 1 . 2 ]" 1
772 1 56 VAL MG2 1 64 ILE MG . . 8.000 2.982 2.807 3.173 . 0 0 "[ . 1 . 2 ]" 1
773 1 56 VAL MG2 1 64 ILE HG12 . . 5.300 3.960 3.867 4.088 . 0 0 "[ . 1 . 2 ]" 1
774 1 56 VAL MG2 1 64 ILE HG13 . . 6.600 3.524 3.247 3.795 . 0 0 "[ . 1 . 2 ]" 1
775 1 56 VAL MG2 1 64 ILE MD . . 5.200 1.679 1.643 1.802 . 0 0 "[ . 1 . 2 ]" 1
776 1 56 VAL MG2 1 68 GLU HB2 . . 7.000 4.933 4.449 5.263 . 0 0 "[ . 1 . 2 ]" 1
777 1 56 VAL MG2 1 69 PHE HA . . 7.000 3.620 3.246 3.853 . 0 0 "[ . 1 . 2 ]" 1
778 1 56 VAL MG2 1 72 MET H . . 6.100 4.633 4.315 4.791 . 0 0 "[ . 1 . 2 ]" 1
779 1 56 VAL MG2 1 72 MET HB2 . . 5.400 3.874 3.700 4.066 . 0 0 "[ . 1 . 2 ]" 1
780 1 56 VAL MG2 1 72 MET HG2 . . 4.900 3.726 3.386 3.969 . 0 0 "[ . 1 . 2 ]" 1
781 1 57 ASP H 1 57 ASP HA . . 2.700 2.834 2.756 2.863 0.163 8 0 "[ . 1 . 2 ]" 1
782 1 57 ASP HA 1 64 ILE MG . . 6.800 4.745 4.163 5.044 . 0 0 "[ . 1 . 2 ]" 1
783 1 59 ASP H 1 59 ASP HA . . 3.100 2.837 2.807 2.913 . 0 0 "[ . 1 . 2 ]" 1
784 1 59 ASP HA 1 59 ASP HB2 . . 2.700 2.302 2.268 2.496 . 0 0 "[ . 1 . 2 ]" 1
785 1 59 ASP HA 1 59 ASP HB3 . . 2.800 2.741 2.451 2.919 0.119 18 0 "[ . 1 . 2 ]" 1
786 1 59 ASP HA 1 60 GLY H . . 4.050 3.584 3.496 3.623 . 0 0 "[ . 1 . 2 ]" 1
787 1 60 GLY H 1 60 GLY HA2 . . 2.900 2.269 2.248 2.300 . 0 0 "[ . 1 . 2 ]" 1
788 1 61 ASN H 1 62 GLY H . . 3.000 2.371 2.131 2.477 . 0 0 "[ . 1 . 2 ]" 1
789 1 61 ASN HA 1 61 ASN HB2 . . 3.000 2.480 2.354 2.548 . 0 0 "[ . 1 . 2 ]" 1
790 1 61 ASN HA 1 61 ASN HB3 . . 3.100 2.509 2.443 2.665 . 0 0 "[ . 1 . 2 ]" 1
791 1 62 GLY H 1 62 GLY HA2 . . 3.050 2.369 2.336 2.436 . 0 0 "[ . 1 . 2 ]" 1
792 1 63 THR HA 1 64 ILE H . . 3.000 2.557 2.329 2.708 . 0 0 "[ . 1 . 2 ]" 1
793 1 63 THR HA 1 64 ILE HG13 . . 5.100 4.458 4.215 4.850 . 0 0 "[ . 1 . 2 ]" 1
794 1 64 ILE H 1 64 ILE HB . . 3.400 2.524 2.394 2.633 . 0 0 "[ . 1 . 2 ]" 1
795 1 64 ILE H 1 64 ILE HG13 . . 3.600 3.686 3.569 3.761 0.161 10 0 "[ . 1 . 2 ]" 1
796 1 64 ILE HB 1 64 ILE HG13 . . 2.900 2.239 2.223 2.278 . 0 0 "[ . 1 . 2 ]" 1
797 1 64 ILE HB 1 64 ILE MD . . 3.700 3.081 3.008 3.152 . 0 0 "[ . 1 . 2 ]" 1
798 1 64 ILE MG 1 68 GLU H . . 7.000 3.891 3.600 4.046 . 0 0 "[ . 1 . 2 ]" 1
799 1 64 ILE MG 1 68 GLU HB2 . . 4.600 2.169 1.900 2.400 . 0 0 "[ . 1 . 2 ]" 1
800 1 64 ILE MG 1 69 PHE H . . 4.300 3.119 2.837 3.282 . 0 0 "[ . 1 . 2 ]" 1
801 1 64 ILE MG 1 69 PHE HA . . 3.900 2.845 2.532 3.021 . 0 0 "[ . 1 . 2 ]" 1
802 1 64 ILE MG 1 69 PHE QB . . 5.800 1.996 1.855 2.112 . 0 0 "[ . 1 . 2 ]" 1
803 1 64 ILE MG 1 69 PHE CG . . 7.100 3.783 3.630 3.907 . 0 0 "[ . 1 . 2 ]" 1
804 1 64 ILE MD 1 69 PHE H . . 7.000 4.703 4.526 4.815 . 0 0 "[ . 1 . 2 ]" 1
805 1 64 ILE MD 1 69 PHE HA . . 4.600 3.654 3.488 3.747 . 0 0 "[ . 1 . 2 ]" 1
806 1 64 ILE MD 1 69 PHE CG . . 8.800 5.529 5.336 5.716 . 0 0 "[ . 1 . 2 ]" 1
807 1 65 ASP H 1 68 GLU HB2 . . 2.900 1.830 1.765 1.887 . 0 0 "[ . 1 . 2 ]" 1
808 1 65 ASP HA 1 65 ASP HB3 . . 2.600 2.499 2.475 2.531 . 0 0 "[ . 1 . 2 ]" 1
809 1 65 ASP HA 1 65 ASP HB2 . . 3.000 3.055 3.054 3.056 0.056 21 0 "[ . 1 . 2 ]" 1
810 1 65 ASP HA 1 66 PHE H . . 3.400 2.822 2.700 2.867 . 0 0 "[ . 1 . 2 ]" 1
811 1 65 ASP HB3 1 66 PHE H . . 4.900 1.921 1.847 2.137 . 0 0 "[ . 1 . 2 ]" 1
812 1 65 ASP HB2 1 66 PHE H . . 3.200 2.966 2.863 3.159 . 0 0 "[ . 1 . 2 ]" 1
813 1 66 PHE H 1 66 PHE HB2 . . 3.200 2.372 2.190 2.700 . 0 0 "[ . 1 . 2 ]" 1
814 1 66 PHE H 1 66 PHE HB3 . . 3.100 2.371 2.093 2.522 . 0 0 "[ . 1 . 2 ]" 1
815 1 66 PHE H 1 67 PRO QD . . 3.500 1.856 1.794 1.966 . 0 0 "[ . 1 . 2 ]" 1
816 1 66 PHE CG 1 66 PHE HA . . 3.400 2.843 2.771 3.010 . 0 0 "[ . 1 . 2 ]" 1
817 1 66 PHE CZ 1 66 PHE HA . . 5.400 5.095 4.981 5.358 . 0 0 "[ . 1 . 2 ]" 1
818 1 66 PHE HA 1 69 PHE H . . 3.900 3.332 3.267 3.481 . 0 0 "[ . 1 . 2 ]" 1
819 1 66 PHE HA 1 69 PHE QB . . 5.200 2.664 2.596 2.746 . 0 0 "[ . 1 . 2 ]" 1
820 1 66 PHE HA 1 69 PHE CG . . 6.600 4.244 4.175 4.323 . 0 0 "[ . 1 . 2 ]" 1
821 1 66 PHE HA 1 70 LEU H . . 4.600 3.756 3.518 4.162 . 0 0 "[ . 1 . 2 ]" 1
822 1 66 PHE HB2 1 67 PRO QD . . 4.200 2.945 2.808 3.204 . 0 0 "[ . 1 . 2 ]" 1
823 1 66 PHE HB3 1 67 PRO QD . . 4.200 1.616 1.583 1.664 . 0 0 "[ . 1 . 2 ]" 1
824 1 66 PHE CG 1 67 PRO HA . . 6.900 4.712 4.288 4.914 . 0 0 "[ . 1 . 2 ]" 1
825 1 66 PHE CG 1 67 PRO QD . . 6.300 3.536 3.249 3.658 . 0 0 "[ . 1 . 2 ]" 1
826 1 66 PHE CG 1 69 PHE CG . . 8.300 6.407 6.304 6.489 . 0 0 "[ . 1 . 2 ]" 1
827 1 66 PHE CG 1 70 LEU MD1 . . 7.700 3.031 2.738 3.367 . 0 0 "[ . 1 . 2 ]" 1
828 1 66 PHE CG 1 70 LEU MD2 . . 8.000 4.184 4.051 4.391 . 0 0 "[ . 1 . 2 ]" 1
829 1 66 PHE CZ 1 69 PHE CG . . 8.200 7.365 7.172 7.676 . 0 0 "[ . 1 . 2 ]" 1
830 1 66 PHE CZ 1 69 PHE CZ . . 8.200 7.534 7.218 8.153 . 0 0 "[ . 1 . 2 ]" 1
831 1 66 PHE CZ 1 70 LEU QB . . 6.500 5.388 5.163 5.501 . 0 0 "[ . 1 . 2 ]" 1
832 1 66 PHE CZ 1 70 LEU HG . . 6.700 3.756 3.578 3.870 . 0 0 "[ . 1 . 2 ]" 1
833 1 66 PHE CZ 1 70 LEU MD1 . . 6.500 3.030 2.583 3.315 . 0 0 "[ . 1 . 2 ]" 1
834 1 66 PHE CZ 1 70 LEU MD2 . . 6.700 2.844 2.721 3.098 . 0 0 "[ . 1 . 2 ]" 1
835 1 66 PHE HZ 1 70 LEU HG . . 4.400 4.338 4.163 4.430 0.030 5 0 "[ . 1 . 2 ]" 1
836 1 66 PHE HZ 1 70 LEU MD1 . . 4.800 3.423 2.875 3.761 . 0 0 "[ . 1 . 2 ]" 1
837 1 66 PHE HZ 1 70 LEU MD2 . . 3.900 2.795 2.557 3.067 . 0 0 "[ . 1 . 2 ]" 1
838 1 67 PRO HA 1 67 PRO QG . . 3.600 3.496 3.496 3.497 . 0 0 "[ . 1 . 2 ]" 1
839 1 67 PRO HA 1 68 GLU H . . 6.000 3.361 3.309 3.440 . 0 0 "[ . 1 . 2 ]" 1
840 1 67 PRO HA 1 70 LEU H . . 4.100 3.475 3.184 3.692 . 0 0 "[ . 1 . 2 ]" 1
841 1 67 PRO HA 1 70 LEU QB . . 3.800 2.638 2.512 2.727 . 0 0 "[ . 1 . 2 ]" 1
842 1 67 PRO HA 1 70 LEU HG . . 3.800 3.733 3.386 3.864 0.064 10 0 "[ . 1 . 2 ]" 1
843 1 67 PRO HA 1 70 LEU MD1 . . 3.400 2.085 1.773 2.444 . 0 0 "[ . 1 . 2 ]" 1
844 1 67 PRO HA 1 70 LEU MD2 . . 6.000 4.605 4.295 4.771 . 0 0 "[ . 1 . 2 ]" 1
845 1 67 PRO HA 1 71 THR H . . 5.100 4.821 4.628 5.079 . 0 0 "[ . 1 . 2 ]" 1
846 1 67 PRO QB 1 67 PRO QG . . 2.000 1.975 1.974 1.975 . 0 0 "[ . 1 . 2 ]" 1
847 1 67 PRO QB 1 67 PRO QD . . 2.500 3.046 3.045 3.046 0.546 23 23 [-*********************+] 1
848 1 67 PRO QB 1 68 GLU H . . 3.800 3.591 3.396 3.692 . 0 0 "[ . 1 . 2 ]" 1
849 1 67 PRO QD 1 67 PRO QG . . 2.200 1.972 1.972 1.973 . 0 0 "[ . 1 . 2 ]" 1
850 1 67 PRO QG 1 68 GLU H . . 4.800 3.352 3.052 3.521 . 0 0 "[ . 1 . 2 ]" 1
851 1 67 PRO QD 1 68 GLU H . . 3.700 2.405 2.265 2.511 . 0 0 "[ . 1 . 2 ]" 1
852 1 68 GLU H 1 68 GLU HB2 . . 3.700 2.692 2.611 2.796 . 0 0 "[ . 1 . 2 ]" 1
853 1 68 GLU H 1 68 GLU HB3 . . 4.300 3.647 3.585 3.688 . 0 0 "[ . 1 . 2 ]" 1
854 1 68 GLU H 1 69 PHE H . . 3.400 2.161 2.050 2.382 . 0 0 "[ . 1 . 2 ]" 1
855 1 68 GLU H 1 70 LEU H . . 5.600 3.637 3.429 3.915 . 0 0 "[ . 1 . 2 ]" 1
856 1 68 GLU HA 1 69 PHE H . . 4.100 3.520 3.486 3.565 . 0 0 "[ . 1 . 2 ]" 1
857 1 68 GLU HA 1 71 THR H . . 4.200 4.204 3.991 4.295 0.095 18 0 "[ . 1 . 2 ]" 1
858 1 68 GLU HB2 1 69 PHE H . . 4.500 3.084 2.922 3.208 . 0 0 "[ . 1 . 2 ]" 1
859 1 69 PHE H 1 69 PHE HA . . 3.000 2.901 2.882 2.915 . 0 0 "[ . 1 . 2 ]" 1
860 1 69 PHE H 1 70 LEU H . . 3.300 2.233 2.136 2.324 . 0 0 "[ . 1 . 2 ]" 1
861 1 69 PHE H 1 70 LEU HG . . 5.100 4.412 4.257 4.637 . 0 0 "[ . 1 . 2 ]" 1
862 1 69 PHE H 1 71 THR H . . 5.200 4.101 3.884 4.490 . 0 0 "[ . 1 . 2 ]" 1
863 1 69 PHE CG 1 69 PHE HA . . 3.200 3.129 3.111 3.148 . 0 0 "[ . 1 . 2 ]" 1
864 1 69 PHE HA 1 70 LEU H . . 3.500 3.573 3.550 3.595 0.095 5 0 "[ . 1 . 2 ]" 1
865 1 69 PHE HA 1 72 MET H . . 4.000 3.040 2.868 3.320 . 0 0 "[ . 1 . 2 ]" 1
866 1 69 PHE HA 1 72 MET HB2 . . 3.800 2.681 2.326 2.822 . 0 0 "[ . 1 . 2 ]" 1
867 1 69 PHE HA 1 72 MET HB3 . . 4.300 4.257 3.908 4.360 0.060 11 0 "[ . 1 . 2 ]" 1
868 1 69 PHE QB 1 70 LEU H . . 5.100 2.856 2.746 2.956 . 0 0 "[ . 1 . 2 ]" 1
869 1 69 PHE CG 1 70 LEU H . . 6.500 3.677 3.593 3.768 . 0 0 "[ . 1 . 2 ]" 1
870 1 69 PHE CG 1 70 LEU HA . . 6.900 4.035 4.011 4.061 . 0 0 "[ . 1 . 2 ]" 1
871 1 69 PHE CG 1 70 LEU QB . . 6.100 5.347 5.323 5.383 . 0 0 "[ . 1 . 2 ]" 1
872 1 69 PHE CG 1 70 LEU MD2 . . 7.400 5.189 5.010 5.336 . 0 0 "[ . 1 . 2 ]" 1
873 1 69 PHE CG 1 73 MET ME . . 8.900 5.222 4.805 5.528 . 0 0 "[ . 1 . 2 ]" 1
874 1 69 PHE CZ 1 70 LEU QB . . 6.200 6.409 6.359 6.455 0.255 10 0 "[ . 1 . 2 ]" 1
875 1 69 PHE CZ 1 70 LEU MD2 . . 9.000 5.130 4.896 5.322 . 0 0 "[ . 1 . 2 ]" 1
876 1 69 PHE CZ 1 73 MET ME . . 7.600 3.152 2.640 3.469 . 0 0 "[ . 1 . 2 ]" 1
877 1 69 PHE HZ 1 73 MET ME . . 5.400 2.482 2.021 2.827 . 0 0 "[ . 1 . 2 ]" 1
878 1 70 LEU H 1 70 LEU QB . . 3.100 2.230 2.162 2.288 . 0 0 "[ . 1 . 2 ]" 1
879 1 70 LEU H 1 70 LEU HG . . 3.600 2.614 2.534 2.719 . 0 0 "[ . 1 . 2 ]" 1
880 1 70 LEU H 1 70 LEU MD1 . . 4.400 3.363 3.138 3.585 . 0 0 "[ . 1 . 2 ]" 1
881 1 70 LEU H 1 70 LEU MD2 . . 4.600 3.855 3.784 3.915 . 0 0 "[ . 1 . 2 ]" 1
882 1 70 LEU H 1 71 THR H . . 3.300 2.909 2.760 3.037 . 0 0 "[ . 1 . 2 ]" 1
883 1 70 LEU HA 1 70 LEU HG . . 3.100 2.580 2.509 2.651 . 0 0 "[ . 1 . 2 ]" 1
884 1 70 LEU HA 1 70 LEU MD1 . . 4.500 3.814 3.800 3.824 . 0 0 "[ . 1 . 2 ]" 1
885 1 70 LEU HA 1 70 LEU MD2 . . 3.300 2.177 1.978 2.408 . 0 0 "[ . 1 . 2 ]" 1
886 1 70 LEU HA 1 71 THR H . . 3.800 3.585 3.515 3.636 . 0 0 "[ . 1 . 2 ]" 1
887 1 70 LEU HA 1 73 MET H . . 4.000 3.565 3.277 3.779 . 0 0 "[ . 1 . 2 ]" 1
888 1 70 LEU HA 1 73 MET QB . . 5.400 3.276 2.995 3.555 . 0 0 "[ . 1 . 2 ]" 1
889 1 70 LEU HA 1 73 MET HG3 . . 4.300 3.072 2.463 3.925 . 0 0 "[ . 1 . 2 ]" 1
890 1 70 LEU HA 1 74 ALA H . . 4.500 4.510 4.428 4.571 0.071 17 0 "[ . 1 . 2 ]" 1
891 1 70 LEU QB 1 70 LEU HG . . 2.500 2.453 2.414 2.500 . 0 0 "[ . 1 . 2 ]" 1
892 1 70 LEU QB 1 70 LEU MD1 . . 3.100 2.067 1.975 2.115 . 0 0 "[ . 1 . 2 ]" 1
893 1 70 LEU QB 1 71 THR H . . 3.600 2.795 2.472 3.058 . 0 0 "[ . 1 . 2 ]" 1
894 1 70 LEU QB 1 71 THR MG . . 4.900 4.082 3.884 4.252 . 0 0 "[ . 1 . 2 ]" 1
895 1 70 LEU MD1 1 71 THR H . . 6.300 4.670 4.280 4.965 . 0 0 "[ . 1 . 2 ]" 1
896 1 70 LEU MD2 1 71 THR H . . 6.600 4.836 4.656 4.961 . 0 0 "[ . 1 . 2 ]" 1
897 1 71 THR H 1 71 THR HA . . 3.100 2.794 2.694 2.868 . 0 0 "[ . 1 . 2 ]" 1
898 1 71 THR H 1 71 THR HB . . 2.800 2.576 2.292 2.776 . 0 0 "[ . 1 . 2 ]" 1
899 1 71 THR H 1 71 THR MG . . 3.600 1.959 1.842 2.361 . 0 0 "[ . 1 . 2 ]" 1
900 1 71 THR HA 1 71 THR MG . . 3.700 3.233 3.207 3.242 . 0 0 "[ . 1 . 2 ]" 1
901 1 71 THR HA 1 74 ALA H . . 3.900 3.254 3.065 3.437 . 0 0 "[ . 1 . 2 ]" 1
902 1 71 THR HA 1 74 ALA MB . . 3.300 2.391 1.961 2.599 . 0 0 "[ . 1 . 2 ]" 1
903 1 71 THR MG 1 72 MET HA . . 5.400 3.388 3.040 3.741 . 0 0 "[ . 1 . 2 ]" 1
904 1 72 MET H 1 72 MET HB2 . . 3.300 1.986 1.968 2.015 . 0 0 "[ . 1 . 2 ]" 1
905 1 72 MET H 1 72 MET HB3 . . 3.200 3.185 3.153 3.223 0.023 19 0 "[ . 1 . 2 ]" 1
906 1 72 MET H 1 72 MET HG2 . . 4.000 3.811 3.740 3.886 . 0 0 "[ . 1 . 2 ]" 1
907 1 72 MET H 1 72 MET HG3 . . 3.700 3.742 3.698 3.803 0.103 5 0 "[ . 1 . 2 ]" 1
908 1 72 MET H 1 73 MET H . . 3.100 2.961 2.733 3.098 . 0 0 "[ . 1 . 2 ]" 1
909 1 72 MET HA 1 72 MET HG2 . . 2.500 2.015 2.003 2.032 . 0 0 "[ . 1 . 2 ]" 1
910 1 72 MET HA 1 72 MET HG3 . . 3.200 3.212 3.145 3.248 0.048 17 0 "[ . 1 . 2 ]" 1
911 1 72 MET HA 1 73 MET H . . 4.300 3.627 3.586 3.644 . 0 0 "[ . 1 . 2 ]" 1
912 1 72 MET HA 1 75 ARG H . . 3.600 3.575 3.376 3.676 0.076 1 0 "[ . 1 . 2 ]" 1
913 1 72 MET HA 1 75 ARG HE . . 4.500 4.184 3.652 4.626 0.126 17 0 "[ . 1 . 2 ]" 1
914 1 72 MET HB2 1 72 MET HG2 . . 2.800 2.882 2.869 2.914 0.114 14 0 "[ . 1 . 2 ]" 1
915 1 72 MET HB2 1 72 MET HG3 . . 2.500 2.270 2.269 2.274 . 0 0 "[ . 1 . 2 ]" 1
916 1 72 MET HB2 1 73 MET H . . 3.400 3.133 2.972 3.265 . 0 0 "[ . 1 . 2 ]" 1
917 1 72 MET HB3 1 72 MET HG2 . . 2.900 2.896 2.864 2.908 0.008 11 0 "[ . 1 . 2 ]" 1
918 1 72 MET HB3 1 72 MET HG3 . . 2.900 2.881 2.867 2.912 0.012 14 0 "[ . 1 . 2 ]" 1
919 1 72 MET HB3 1 73 MET H . . 3.500 2.609 2.364 3.001 . 0 0 "[ . 1 . 2 ]" 1
920 1 73 MET H 1 73 MET HG2 . . 2.400 2.355 2.283 2.417 0.017 10 0 "[ . 1 . 2 ]" 1
921 1 73 MET H 1 73 MET HG3 . . 2.900 2.818 2.636 2.920 0.020 20 0 "[ . 1 . 2 ]" 1
922 1 73 MET HA 1 73 MET HG2 . . 2.800 2.455 2.403 2.501 . 0 0 "[ . 1 . 2 ]" 1
923 1 73 MET HA 1 73 MET HG3 . . 3.700 3.693 3.660 3.722 0.022 17 0 "[ . 1 . 2 ]" 1
924 1 73 MET HA 1 74 ALA H . . 4.000 3.608 3.541 3.635 . 0 0 "[ . 1 . 2 ]" 1
925 1 73 MET HA 1 76 LYS H . . 4.300 4.204 3.405 4.363 0.063 1 0 "[ . 1 . 2 ]" 1
926 1 73 MET QB 1 74 ALA H . . 5.300 2.514 2.322 2.841 . 0 0 "[ . 1 . 2 ]" 1
927 1 73 MET ME 1 73 MET HG2 . . 3.700 2.113 1.986 2.305 . 0 0 "[ . 1 . 2 ]" 1
928 1 74 ALA H 1 74 ALA MB . . 3.000 2.052 1.936 2.160 . 0 0 "[ . 1 . 2 ]" 1
929 1 74 ALA HA 1 75 ARG H . . 3.600 3.617 3.593 3.637 0.037 13 0 "[ . 1 . 2 ]" 1
930 1 74 ALA MB 1 75 ARG H . . 3.300 2.552 2.303 2.736 . 0 0 "[ . 1 . 2 ]" 1
931 1 75 ARG H 1 75 ARG QB . . 3.000 2.641 2.027 3.040 0.040 14 0 "[ . 1 . 2 ]" 1
932 1 75 ARG H 1 75 ARG QG . . 5.000 2.591 1.867 4.027 . 0 0 "[ . 1 . 2 ]" 1
933 1 75 ARG H 1 75 ARG QD . . 4.600 3.653 1.939 4.198 . 0 0 "[ . 1 . 2 ]" 1
934 1 75 ARG H 1 76 LYS H . . 3.700 3.386 2.843 3.613 . 0 0 "[ . 1 . 2 ]" 1
935 1 75 ARG HA 1 75 ARG QG . . 3.700 2.772 1.971 3.349 . 0 0 "[ . 1 . 2 ]" 1
936 1 75 ARG HA 1 76 LYS H . . 3.000 2.682 2.436 3.585 0.585 1 2 "[+ - . 1 . 2 ]" 1
937 1 75 ARG QB 1 75 ARG HE . . 3.300 2.728 2.003 3.533 0.233 4 0 "[ . 1 . 2 ]" 1
938 1 76 LYS H 1 76 LYS HB2 . . 3.300 2.566 2.009 3.618 0.318 3 0 "[ . 1 . 2 ]" 1
939 1 76 LYS H 1 76 LYS HB3 . . 3.500 2.838 2.015 3.437 . 0 0 "[ . 1 . 2 ]" 1
940 1 76 LYS H 1 76 LYS QG . . 3.700 3.176 2.861 3.405 . 0 0 "[ . 1 . 2 ]" 1
941 1 76 LYS HA 1 76 LYS HB2 . . 3.000 2.628 2.220 2.952 . 0 0 "[ . 1 . 2 ]" 1
942 1 76 LYS HA 1 76 LYS QG . . 3.300 2.460 1.933 3.155 . 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 48
_Distance_constraint_stats_list.Viol_count 271
_Distance_constraint_stats_list.Viol_total 631.223
_Distance_constraint_stats_list.Viol_max 0.281
_Distance_constraint_stats_list.Viol_rms 0.0571
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0249
_Distance_constraint_stats_list.Viol_average_violations_only 0.1013
_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 17 PHE 5.721 0.220 23 0 "[ . 1 . 2 ]"
1 21 ASP 0.057 0.057 9 0 "[ . 1 . 2 ]"
1 22 LYS 0.011 0.011 11 0 "[ . 1 . 2 ]"
1 23 ASP 0.011 0.011 11 0 "[ . 1 . 2 ]"
1 24 GLY 0.191 0.067 10 0 "[ . 1 . 2 ]"
1 25 ASP 0.191 0.067 10 0 "[ . 1 . 2 ]"
1 26 GLY 0.012 0.012 11 0 "[ . 1 . 2 ]"
1 27 THR 3.721 0.126 23 0 "[ . 1 . 2 ]"
1 28 ILE 3.892 0.142 19 0 "[ . 1 . 2 ]"
1 32 GLU 1.172 0.103 21 0 "[ . 1 . 2 ]"
1 57 ASP 3.091 0.240 22 0 "[ . 1 . 2 ]"
1 59 ASP 4.874 0.281 8 0 "[ . 1 . 2 ]"
1 60 GLY 0.934 0.071 4 0 "[ . 1 . 2 ]"
1 61 ASN 4.955 0.281 8 0 "[ . 1 . 2 ]"
1 62 GLY 0.853 0.071 4 0 "[ . 1 . 2 ]"
1 64 ILE 2.573 0.203 14 0 "[ . 1 . 2 ]"
1 65 ASP 17.483 0.248 11 0 "[ . 1 . 2 ]"
1 66 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 68 GLU 0.067 0.033 9 0 "[ . 1 . 2 ]"
1 69 PHE 0.148 0.063 21 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 21 ASP H 1 21 ASP HA . . 3.000 2.834 2.787 2.859 . 0 0 "[ . 1 . 2 ]" 2
2 1 21 ASP HA 1 21 ASP HB3 . . 3.100 3.037 3.018 3.050 . 0 0 "[ . 1 . 2 ]" 2
3 1 21 ASP HA 1 28 ILE HG12 . . 3.000 2.323 2.235 2.415 . 0 0 "[ . 1 . 2 ]" 2
4 1 21 ASP HA 1 28 ILE MG . . 4.200 3.314 3.207 3.390 . 0 0 "[ . 1 . 2 ]" 2
5 1 21 ASP HA 1 28 ILE MD . . 4.500 3.802 3.675 3.877 . 0 0 "[ . 1 . 2 ]" 2
6 1 21 ASP HA 1 32 GLU HB3 . . 4.200 2.651 2.438 2.852 . 0 0 "[ . 1 . 2 ]" 2
7 1 17 PHE CZ 1 21 ASP HB2 . . 3.900 3.609 3.371 3.957 0.057 9 0 "[ . 1 . 2 ]" 2
8 1 21 ASP HB2 1 28 ILE HG13 . . 3.350 2.222 1.985 2.608 . 0 0 "[ . 1 . 2 ]" 2
9 1 21 ASP HB2 1 28 ILE MD . . 4.000 2.856 2.767 3.048 . 0 0 "[ . 1 . 2 ]" 2
10 1 22 LYS H 1 23 ASP H . . 2.950 2.706 1.892 2.961 0.011 11 0 "[ . 1 . 2 ]" 2
11 1 23 ASP H 1 25 ASP H . . 5.000 4.206 3.229 4.720 . 0 0 "[ . 1 . 2 ]" 2
12 1 24 GLY H 1 25 ASP H . . 3.250 2.810 1.832 3.317 0.067 10 0 "[ . 1 . 2 ]" 2
13 1 17 PHE HZ 1 27 THR H . . 3.950 4.026 3.976 4.076 0.126 23 0 "[ . 1 . 2 ]" 2
14 1 17 PHE CZ 1 27 THR H . . 4.600 4.556 4.455 4.647 0.047 23 0 "[ . 1 . 2 ]" 2
15 1 26 GLY HA3 1 27 THR H . . 3.600 3.398 3.238 3.612 0.012 11 0 "[ . 1 . 2 ]" 2
16 1 26 GLY HA2 1 27 THR H . . 3.500 3.293 2.915 3.457 . 0 0 "[ . 1 . 2 ]" 2
17 1 27 THR H 1 28 ILE H . . 4.400 4.434 4.390 4.490 0.090 10 0 "[ . 1 . 2 ]" 2
18 1 28 ILE HA 1 28 ILE HG13 . . 3.100 2.916 2.811 3.044 . 0 0 "[ . 1 . 2 ]" 2
19 1 28 ILE HA 1 28 ILE MG . . 3.300 2.504 2.469 2.531 . 0 0 "[ . 1 . 2 ]" 2
20 1 28 ILE HA 1 32 GLU HB2 . . 3.500 2.952 2.857 3.086 . 0 0 "[ . 1 . 2 ]" 2
21 1 28 ILE HA 1 32 GLU HB3 . . 3.500 3.551 3.506 3.603 0.103 21 0 "[ . 1 . 2 ]" 2
22 1 21 ASP HB2 1 28 ILE HG12 . . 5.000 1.891 1.834 1.978 . 0 0 "[ . 1 . 2 ]" 2
23 1 59 ASP H 1 60 GLY H . . 2.850 2.356 1.908 2.515 . 0 0 "[ . 1 . 2 ]" 2
24 1 60 GLY H 1 61 ASN H . . 3.000 2.505 2.276 3.009 0.009 22 0 "[ . 1 . 2 ]" 2
25 1 59 ASP HA 1 61 ASN H . . 4.600 4.812 4.620 4.881 0.281 8 0 "[ . 1 . 2 ]" 2
26 1 60 GLY HA2 1 61 ASN H . . 3.200 2.973 2.862 3.025 . 0 0 "[ . 1 . 2 ]" 2
27 1 60 GLY HA3 1 61 ASN H . . 3.600 3.593 3.575 3.625 0.025 22 0 "[ . 1 . 2 ]" 2
28 1 61 ASN H 1 61 ASN HA . . 3.100 2.832 2.802 2.901 . 0 0 "[ . 1 . 2 ]" 2
29 1 60 GLY HA2 1 62 GLY H . . 3.150 3.184 3.072 3.221 0.071 4 0 "[ . 1 . 2 ]" 2
30 1 61 ASN HA 1 62 GLY H . . 3.800 3.489 3.374 3.519 . 0 0 "[ . 1 . 2 ]" 2
31 1 17 PHE CZ 1 65 ASP H . . 4.900 5.063 4.990 5.120 0.220 23 0 "[ . 1 . 2 ]" 2
32 1 27 THR HA 1 65 ASP H . . 4.750 4.786 4.640 4.824 0.074 18 0 "[ . 1 . 2 ]" 2
33 1 57 ASP HA 1 65 ASP H . . 5.100 5.234 5.147 5.340 0.240 22 0 "[ . 1 . 2 ]" 2
34 1 64 ILE H 1 65 ASP H . . 4.550 4.452 4.399 4.502 . 0 0 "[ . 1 . 2 ]" 2
35 1 64 ILE HB 1 65 ASP H . . 4.700 4.162 4.050 4.307 . 0 0 "[ . 1 . 2 ]" 2
36 1 64 ILE HG12 1 65 ASP H . . 5.300 4.612 4.511 4.723 . 0 0 "[ . 1 . 2 ]" 2
37 1 64 ILE HG13 1 65 ASP H . . 5.300 5.412 5.332 5.503 0.203 14 0 "[ . 1 . 2 ]" 2
38 1 64 ILE MG 1 65 ASP H . . 3.900 2.372 2.216 2.546 . 0 0 "[ . 1 . 2 ]" 2
39 1 64 ILE MD 1 65 ASP H . . 6.000 3.660 3.378 4.007 . 0 0 "[ . 1 . 2 ]" 2
40 1 65 ASP H 1 65 ASP HA . . 3.000 2.908 2.894 2.915 . 0 0 "[ . 1 . 2 ]" 2
41 1 65 ASP H 1 65 ASP HB3 . . 3.450 3.665 3.622 3.698 0.248 11 0 "[ . 1 . 2 ]" 2
42 1 65 ASP H 1 65 ASP HB2 . . 3.700 2.526 2.453 2.578 . 0 0 "[ . 1 . 2 ]" 2
43 1 65 ASP H 1 66 PHE H . . 4.500 4.380 4.344 4.475 . 0 0 "[ . 1 . 2 ]" 2
44 1 65 ASP H 1 68 GLU H . . 3.400 3.351 3.202 3.433 0.033 9 0 "[ . 1 . 2 ]" 2
45 1 65 ASP H 1 68 GLU HB3 . . 4.100 3.334 3.182 3.422 . 0 0 "[ . 1 . 2 ]" 2
46 1 65 ASP H 1 69 PHE H . . 4.000 3.910 3.607 4.063 0.063 21 0 "[ . 1 . 2 ]" 2
47 1 28 ILE HG13 1 65 ASP HA . . 4.500 4.582 4.469 4.642 0.142 19 0 "[ . 1 . 2 ]" 2
48 1 64 ILE MG 1 65 ASP HA . . 4.800 3.762 3.619 3.859 . 0 0 "[ . 1 . 2 ]" 2
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