NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
403514 |
1wkt   |
5255 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wkt
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 1020
_Distance_constraint_stats_list.Viol_count 2418
_Distance_constraint_stats_list.Viol_total 2912.473
_Distance_constraint_stats_list.Viol_max 0.118
_Distance_constraint_stats_list.Viol_rms 0.0209
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0071
_Distance_constraint_stats_list.Viol_average_violations_only 0.0602
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 GLY 0.684 0.088 9 0 "[ . 1 . 2]"
1 2 ASP 1.656 0.088 9 0 "[ . 1 . 2]"
1 3 GLY 2.376 0.097 7 0 "[ . 1 . 2]"
1 4 TYR 2.719 0.097 7 0 "[ . 1 . 2]"
1 5 LEU 1.711 0.088 3 0 "[ . 1 . 2]"
1 6 ILE 0.326 0.063 16 0 "[ . 1 . 2]"
1 7 MET 2.991 0.098 8 0 "[ . 1 . 2]"
1 8 CYS 5.277 0.091 15 0 "[ . 1 . 2]"
1 9 LYS 2.720 0.096 15 0 "[ . 1 . 2]"
1 10 ASN 5.241 0.092 20 0 "[ . 1 . 2]"
1 11 CYS 3.704 0.086 6 0 "[ . 1 . 2]"
1 12 ASP 5.394 0.090 15 0 "[ . 1 . 2]"
1 13 PRO 2.319 0.075 12 0 "[ . 1 . 2]"
1 14 ASN 2.011 0.080 14 0 "[ . 1 . 2]"
1 15 THR 2.646 0.084 14 0 "[ . 1 . 2]"
1 16 GLY 4.397 0.088 3 0 "[ . 1 . 2]"
1 17 SER 1.382 0.088 3 0 "[ . 1 . 2]"
1 18 CYS 4.276 0.096 15 0 "[ . 1 . 2]"
1 19 ASP 6.054 0.097 12 0 "[ . 1 . 2]"
1 20 TRP 5.235 0.091 8 0 "[ . 1 . 2]"
1 21 LYS 2.291 0.088 4 0 "[ . 1 . 2]"
1 22 GLN 2.415 0.091 4 0 "[ . 1 . 2]"
1 23 ASN 2.883 0.091 4 0 "[ . 1 . 2]"
1 24 TRP 5.486 0.105 6 0 "[ . 1 . 2]"
1 25 ASN 1.454 0.097 8 0 "[ . 1 . 2]"
1 26 THR 4.160 0.097 8 0 "[ . 1 . 2]"
1 27 CYS 2.846 0.098 18 0 "[ . 1 . 2]"
1 28 VAL 0.606 0.077 10 0 "[ . 1 . 2]"
1 29 GLY 2.525 0.097 15 0 "[ . 1 . 2]"
1 30 ILE 2.055 0.094 15 0 "[ . 1 . 2]"
1 31 GLY 1.821 0.083 4 0 "[ . 1 . 2]"
1 32 ALA 3.026 0.106 16 0 "[ . 1 . 2]"
1 33 ASN 0.445 0.069 2 0 "[ . 1 . 2]"
1 34 VAL 4.129 0.106 16 0 "[ . 1 . 2]"
1 35 HIS 2.748 0.084 9 0 "[ . 1 . 2]"
1 36 TRP 7.146 0.094 16 0 "[ . 1 . 2]"
1 37 MET 2.766 0.089 15 0 "[ . 1 . 2]"
1 38 VAL 0.758 0.076 14 0 "[ . 1 . 2]"
1 39 THR 1.620 0.079 15 0 "[ . 1 . 2]"
1 40 GLY 1.365 0.118 19 0 "[ . 1 . 2]"
1 41 GLY 0.999 0.118 19 0 "[ . 1 . 2]"
1 42 SER 2.679 0.095 7 0 "[ . 1 . 2]"
1 43 THR 1.123 0.086 14 0 "[ . 1 . 2]"
1 44 ASP 1.343 0.099 8 0 "[ . 1 . 2]"
1 45 GLY 3.349 0.089 6 0 "[ . 1 . 2]"
1 46 LYS 2.308 0.089 12 0 "[ . 1 . 2]"
1 47 GLN 1.540 0.084 6 0 "[ . 1 . 2]"
1 48 GLY 1.917 0.080 4 0 "[ . 1 . 2]"
1 49 CYS 5.662 0.103 13 0 "[ . 1 . 2]"
1 50 ALA 2.692 0.088 15 0 "[ . 1 . 2]"
1 51 THR 2.094 0.090 4 0 "[ . 1 . 2]"
1 52 ILE 2.484 0.089 7 0 "[ . 1 . 2]"
1 53 TRP 6.730 0.099 2 0 "[ . 1 . 2]"
1 54 GLU 5.452 0.092 6 0 "[ . 1 . 2]"
1 55 GLY 3.369 0.092 11 0 "[ . 1 . 2]"
1 56 SER 2.195 0.093 20 0 "[ . 1 . 2]"
1 57 GLY 2.635 0.097 19 0 "[ . 1 . 2]"
1 58 CYS 2.768 0.097 3 0 "[ . 1 . 2]"
1 59 VAL 5.606 0.093 12 0 "[ . 1 . 2]"
1 60 GLY 3.214 0.080 10 0 "[ . 1 . 2]"
1 61 ARG 5.510 0.097 16 0 "[ . 1 . 2]"
1 62 SER 5.480 0.097 16 0 "[ . 1 . 2]"
1 63 THR 1.957 0.083 15 0 "[ . 1 . 2]"
1 64 THR 0.106 0.067 12 0 "[ . 1 . 2]"
1 65 MET 1.336 0.086 20 0 "[ . 1 . 2]"
1 66 CYS 3.207 0.085 11 0 "[ . 1 . 2]"
1 67 CYS 4.729 0.090 8 0 "[ . 1 . 2]"
1 68 PRO 3.866 0.084 6 0 "[ . 1 . 2]"
1 69 ALA 1.725 0.080 7 0 "[ . 1 . 2]"
1 70 ASN 0.793 0.078 7 0 "[ . 1 . 2]"
1 71 THR 0.910 0.086 2 0 "[ . 1 . 2]"
1 72 CYS 3.386 0.080 2 0 "[ . 1 . 2]"
1 73 CYS 4.160 0.082 8 0 "[ . 1 . 2]"
1 74 ASN 1.088 0.087 15 0 "[ . 1 . 2]"
1 75 ILE 0.619 0.087 15 0 "[ . 1 . 2]"
1 76 ASN 0.227 0.057 12 0 "[ . 1 . 2]"
1 77 THR 0.819 0.087 3 0 "[ . 1 . 2]"
1 78 GLY 0.276 0.070 11 0 "[ . 1 . 2]"
1 79 PHE 4.762 0.096 8 0 "[ . 1 . 2]"
1 80 TYR 5.633 0.094 1 0 "[ . 1 . 2]"
1 81 ILE 4.140 0.090 14 0 "[ . 1 . 2]"
1 82 ARG 1.436 0.083 12 0 "[ . 1 . 2]"
1 83 SER 4.477 0.087 1 0 "[ . 1 . 2]"
1 84 TYR 3.152 0.077 10 0 "[ . 1 . 2]"
1 85 ARG 4.339 0.099 2 0 "[ . 1 . 2]"
1 86 ARG 1.877 0.090 4 0 "[ . 1 . 2]"
1 87 VAL 1.980 0.103 13 0 "[ . 1 . 2]"
1 88 GLU 1.248 0.078 4 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 1 GLY HA2 1 2 ASP H . . 3.400 2.900 2.233 3.488 0.088 14 0 "[ . 1 . 2]" 1
2 1 1 GLY HA3 1 2 ASP H . . 3.400 2.922 2.232 3.488 0.088 9 0 "[ . 1 . 2]" 1
3 1 2 ASP H 1 2 ASP HB2 . . 4.100 3.295 2.500 4.028 . 0 0 "[ . 1 . 2]" 1
4 1 2 ASP H 1 2 ASP QB . . 3.850 3.012 2.463 3.528 . 0 0 "[ . 1 . 2]" 1
5 1 2 ASP H 1 2 ASP HB3 . . 4.100 3.692 2.853 4.164 0.064 11 0 "[ . 1 . 2]" 1
6 1 2 ASP H 1 3 GLY H . . 3.700 3.466 1.906 3.781 0.081 20 0 "[ . 1 . 2]" 1
7 1 2 ASP HA 1 3 GLY H . . 3.600 2.919 2.056 3.629 0.029 14 0 "[ . 1 . 2]" 1
8 1 2 ASP QB 1 3 GLY H . . 4.270 3.070 2.118 3.927 . 0 0 "[ . 1 . 2]" 1
9 1 2 ASP HB2 1 3 GLY H . . 5.000 3.766 2.197 4.696 . 0 0 "[ . 1 . 2]" 1
10 1 2 ASP HB3 1 3 GLY H . . 5.000 3.510 2.164 4.484 . 0 0 "[ . 1 . 2]" 1
11 1 3 GLY H 1 42 SER HA . . 5.500 4.975 2.837 5.592 0.092 7 0 "[ . 1 . 2]" 1
12 1 3 GLY H 1 42 SER QB . . 6.280 3.658 2.306 5.465 . 0 0 "[ . 1 . 2]" 1
13 1 3 GLY HA2 1 4 TYR H . . 2.800 2.466 1.897 2.863 0.063 9 0 "[ . 1 . 2]" 1
14 1 3 GLY HA3 1 4 TYR H . . 2.800 2.701 2.343 2.897 0.097 7 0 "[ . 1 . 2]" 1
15 1 4 TYR H 1 4 TYR HB3 . . 3.700 3.569 3.083 3.772 0.072 7 0 "[ . 1 . 2]" 1
16 1 4 TYR H 1 4 TYR QE . . 6.500 4.386 3.710 4.865 . 0 0 "[ . 1 . 2]" 1
17 1 4 TYR H 1 40 GLY H . . 3.500 2.883 1.935 3.577 0.077 15 0 "[ . 1 . 2]" 1
18 1 4 TYR HA 1 4 TYR HB2 . . 2.800 2.571 2.524 2.665 . 0 0 "[ . 1 . 2]" 1
19 1 4 TYR HA 1 4 TYR HB3 . . 2.800 2.348 2.267 2.396 . 0 0 "[ . 1 . 2]" 1
20 1 4 TYR HA 1 5 LEU H . . 2.600 2.426 2.154 2.669 0.069 15 0 "[ . 1 . 2]" 1
21 1 4 TYR HB2 1 5 LEU H . . 3.000 2.243 2.032 2.485 . 0 0 "[ . 1 . 2]" 1
22 1 4 TYR HB2 1 6 ILE MG . . 5.700 2.703 2.330 3.534 . 0 0 "[ . 1 . 2]" 1
23 1 4 TYR HB2 1 20 TRP HZ3 . . 4.600 3.618 2.621 4.630 0.030 11 0 "[ . 1 . 2]" 1
24 1 4 TYR HB3 1 5 LEU H . . 3.400 3.471 3.445 3.488 0.088 3 0 "[ . 1 . 2]" 1
25 1 4 TYR HB3 1 20 TRP HZ3 . . 5.400 3.277 2.174 4.263 . 0 0 "[ . 1 . 2]" 1
26 1 4 TYR QD 1 5 LEU H . . 6.200 3.489 3.034 3.899 . 0 0 "[ . 1 . 2]" 1
27 1 4 TYR QD 1 5 LEU HA . . 7.000 3.137 2.751 3.642 . 0 0 "[ . 1 . 2]" 1
28 1 4 TYR QD 1 6 ILE H . . 7.100 3.087 2.296 3.613 . 0 0 "[ . 1 . 2]" 1
29 1 4 TYR QD 1 6 ILE MD . . 8.300 3.260 2.425 4.162 . 0 0 "[ . 1 . 2]" 1
30 1 4 TYR QD 1 6 ILE HG12 . . 7.500 2.500 2.161 3.018 . 0 0 "[ . 1 . 2]" 1
31 1 4 TYR QD 1 6 ILE QG . . 6.920 2.416 2.145 2.701 . 0 0 "[ . 1 . 2]" 1
32 1 4 TYR QD 1 6 ILE HG13 . . 7.500 3.714 2.443 4.384 . 0 0 "[ . 1 . 2]" 1
33 1 4 TYR QD 1 6 ILE MG . . 7.500 3.134 2.405 3.963 . 0 0 "[ . 1 . 2]" 1
34 1 4 TYR QD 1 20 TRP HH2 . . 7.500 3.852 2.932 4.735 . 0 0 "[ . 1 . 2]" 1
35 1 4 TYR QD 1 38 VAL MG1 . . 8.500 5.061 4.278 5.879 . 0 0 "[ . 1 . 2]" 1
36 1 4 TYR QD 1 39 THR HA . . 7.400 3.165 2.406 4.049 . 0 0 "[ . 1 . 2]" 1
37 1 4 TYR QD 1 41 GLY HA2 . . 7.500 5.885 3.799 7.013 . 0 0 "[ . 1 . 2]" 1
38 1 4 TYR QD 1 41 GLY QA . . 7.300 4.911 2.871 6.118 . 0 0 "[ . 1 . 2]" 1
39 1 4 TYR QD 1 41 GLY HA3 . . 7.500 5.409 2.914 7.012 . 0 0 "[ . 1 . 2]" 1
40 1 4 TYR QE 1 5 LEU HA . . 7.500 4.898 4.443 5.557 . 0 0 "[ . 1 . 2]" 1
41 1 4 TYR QE 1 6 ILE H . . 7.500 4.530 3.858 5.313 . 0 0 "[ . 1 . 2]" 1
42 1 4 TYR QE 1 6 ILE MD . . 7.500 3.136 2.453 4.226 . 0 0 "[ . 1 . 2]" 1
43 1 4 TYR QE 1 6 ILE HG12 . . 7.500 3.311 2.521 4.466 . 0 0 "[ . 1 . 2]" 1
44 1 4 TYR QE 1 6 ILE QG . . 7.010 3.100 2.369 3.776 . 0 0 "[ . 1 . 2]" 1
45 1 4 TYR QE 1 6 ILE HG13 . . 7.500 4.004 2.631 5.115 . 0 0 "[ . 1 . 2]" 1
46 1 4 TYR QE 1 6 ILE MG . . 8.500 4.548 3.701 5.445 . 0 0 "[ . 1 . 2]" 1
47 1 4 TYR QE 1 13 PRO HB3 . . 7.500 4.595 2.892 5.844 . 0 0 "[ . 1 . 2]" 1
48 1 4 TYR QE 1 13 PRO QG . . 8.380 4.366 2.658 5.778 . 0 0 "[ . 1 . 2]" 1
49 1 4 TYR QE 1 20 TRP HH2 . . 7.500 3.162 2.389 4.664 . 0 0 "[ . 1 . 2]" 1
50 1 4 TYR QE 1 38 VAL HB . . 7.500 4.065 2.696 4.845 . 0 0 "[ . 1 . 2]" 1
51 1 4 TYR QE 1 38 VAL MG1 . . 7.000 3.532 2.573 4.175 . 0 0 "[ . 1 . 2]" 1
52 1 4 TYR QE 1 39 THR HA . . 7.500 3.717 2.915 4.729 . 0 0 "[ . 1 . 2]" 1
53 1 4 TYR QE 1 40 GLY H . . 5.800 3.517 2.334 4.657 . 0 0 "[ . 1 . 2]" 1
54 1 4 TYR QE 1 40 GLY QA . . 8.380 3.450 2.570 5.162 . 0 0 "[ . 1 . 2]" 1
55 1 4 TYR QE 1 41 GLY H . . 7.500 4.540 3.398 5.505 . 0 0 "[ . 1 . 2]" 1
56 1 4 TYR QE 1 41 GLY HA2 . . 7.500 5.084 2.384 6.968 . 0 0 "[ . 1 . 2]" 1
57 1 4 TYR QE 1 41 GLY QA . . 7.350 4.243 2.276 6.137 . 0 0 "[ . 1 . 2]" 1
58 1 4 TYR QE 1 41 GLY HA3 . . 7.500 4.667 2.389 7.001 . 0 0 "[ . 1 . 2]" 1
59 1 5 LEU H 1 5 LEU HG . . 5.500 4.649 4.503 4.714 . 0 0 "[ . 1 . 2]" 1
60 1 5 LEU H 1 6 ILE MG . . 6.500 3.261 2.644 3.826 . 0 0 "[ . 1 . 2]" 1
61 1 5 LEU H 1 23 ASN QD . . 5.070 4.081 3.371 4.629 . 0 0 "[ . 1 . 2]" 1
62 1 5 LEU HA 1 5 LEU HG . . 3.100 2.405 2.142 3.132 0.032 12 0 "[ . 1 . 2]" 1
63 1 5 LEU HA 1 6 ILE H . . 2.500 2.181 2.091 2.491 . 0 0 "[ . 1 . 2]" 1
64 1 5 LEU HA 1 39 THR HA . . 2.900 2.448 2.208 2.941 0.041 1 0 "[ . 1 . 2]" 1
65 1 5 LEU HA 1 40 GLY H . . 4.100 3.614 2.852 4.150 0.050 18 0 "[ . 1 . 2]" 1
66 1 5 LEU QD 1 49 CYS HA . . 6.210 3.906 3.290 4.521 . 0 0 "[ . 1 . 2]" 1
67 1 5 LEU QD 1 86 ARG HE . . 8.070 3.226 2.084 4.765 . 0 0 "[ . 1 . 2]" 1
68 1 5 LEU MD1 1 6 ILE H . . 6.500 4.550 2.542 5.072 . 0 0 "[ . 1 . 2]" 1
69 1 5 LEU MD1 1 49 CYS HA . . 6.500 4.125 3.330 5.302 . 0 0 "[ . 1 . 2]" 1
70 1 5 LEU MD2 1 6 ILE H . . 6.500 3.715 2.902 5.231 . 0 0 "[ . 1 . 2]" 1
71 1 5 LEU MD2 1 49 CYS HA . . 6.500 5.208 4.171 5.359 . 0 0 "[ . 1 . 2]" 1
72 1 5 LEU HG 1 6 ILE H . . 4.100 3.293 2.537 4.158 0.058 1 0 "[ . 1 . 2]" 1
73 1 6 ILE H 1 6 ILE HG12 . . 3.600 2.500 1.913 3.572 . 0 0 "[ . 1 . 2]" 1
74 1 6 ILE H 1 6 ILE QG . . 3.200 2.151 1.897 2.411 . 0 0 "[ . 1 . 2]" 1
75 1 6 ILE H 1 6 ILE HG13 . . 3.600 2.787 2.034 3.295 . 0 0 "[ . 1 . 2]" 1
76 1 6 ILE H 1 39 THR HA . . 3.600 3.300 2.804 3.663 0.063 16 0 "[ . 1 . 2]" 1
77 1 6 ILE HA 1 6 ILE HB . . 2.900 2.501 2.413 2.626 . 0 0 "[ . 1 . 2]" 1
78 1 6 ILE HA 1 6 ILE MG . . 3.600 2.279 2.139 2.369 . 0 0 "[ . 1 . 2]" 1
79 1 6 ILE HA 1 7 MET H . . 2.600 2.416 2.203 2.606 0.006 9 0 "[ . 1 . 2]" 1
80 1 6 ILE HA 1 84 TYR QE . . 7.500 4.964 3.004 6.024 . 0 0 "[ . 1 . 2]" 1
81 1 6 ILE HB 1 18 CYS HB3 . . 3.400 2.785 2.251 3.272 . 0 0 "[ . 1 . 2]" 1
82 1 6 ILE MD 1 18 CYS H . . 6.500 4.648 4.262 5.047 . 0 0 "[ . 1 . 2]" 1
83 1 6 ILE MD 1 18 CYS HB2 . . 4.900 2.607 2.148 3.221 . 0 0 "[ . 1 . 2]" 1
84 1 6 ILE MD 1 19 ASP H . . 6.500 4.325 3.648 4.922 . 0 0 "[ . 1 . 2]" 1
85 1 6 ILE MD 1 20 TRP H . . 6.500 4.671 4.222 5.237 . 0 0 "[ . 1 . 2]" 1
86 1 6 ILE MD 1 20 TRP HD1 . . 5.100 4.012 3.568 4.191 . 0 0 "[ . 1 . 2]" 1
87 1 6 ILE MD 1 20 TRP HE1 . . 6.500 3.233 2.984 3.526 . 0 0 "[ . 1 . 2]" 1
88 1 6 ILE MD 1 20 TRP HH2 . . 6.400 3.253 2.933 3.576 . 0 0 "[ . 1 . 2]" 1
89 1 6 ILE MD 1 20 TRP HZ3 . . 6.500 3.673 3.171 4.413 . 0 0 "[ . 1 . 2]" 1
90 1 6 ILE MD 1 38 VAL H . . 6.500 4.546 3.653 5.024 . 0 0 "[ . 1 . 2]" 1
91 1 6 ILE MD 1 38 VAL HB . . 4.900 3.320 2.766 3.967 . 0 0 "[ . 1 . 2]" 1
92 1 6 ILE MG 1 18 CYS HB3 . . 6.500 3.764 3.249 4.336 . 0 0 "[ . 1 . 2]" 1
93 1 6 ILE MG 1 19 ASP H . . 6.500 4.442 4.176 4.914 . 0 0 "[ . 1 . 2]" 1
94 1 6 ILE MG 1 20 TRP H . . 4.700 3.803 3.749 3.848 . 0 0 "[ . 1 . 2]" 1
95 1 6 ILE MG 1 20 TRP HA . . 4.200 1.979 1.864 2.224 . 0 0 "[ . 1 . 2]" 1
96 1 6 ILE MG 1 20 TRP HB3 . . 6.500 3.431 3.201 3.836 . 0 0 "[ . 1 . 2]" 1
97 1 6 ILE MG 1 20 TRP HD1 . . 6.500 4.252 3.792 4.629 . 0 0 "[ . 1 . 2]" 1
98 1 6 ILE MG 1 20 TRP HE1 . . 6.500 4.635 4.138 5.034 . 0 0 "[ . 1 . 2]" 1
99 1 6 ILE MG 1 20 TRP HE3 . . 5.300 2.754 2.549 3.023 . 0 0 "[ . 1 . 2]" 1
100 1 6 ILE MG 1 20 TRP HH2 . . 6.500 4.706 4.075 5.131 . 0 0 "[ . 1 . 2]" 1
101 1 6 ILE MG 1 20 TRP HZ3 . . 6.500 3.778 3.157 4.206 . 0 0 "[ . 1 . 2]" 1
102 1 6 ILE MG 1 21 LYS H . . 6.500 3.375 2.967 3.566 . 0 0 "[ . 1 . 2]" 1
103 1 7 MET H 1 7 MET HB2 . . 3.700 3.689 3.076 3.794 0.094 9 0 "[ . 1 . 2]" 1
104 1 7 MET H 1 7 MET HB3 . . 3.500 3.113 2.433 3.598 0.098 8 0 "[ . 1 . 2]" 1
105 1 7 MET H 1 7 MET HG2 . . 5.100 2.486 2.148 2.945 . 0 0 "[ . 1 . 2]" 1
106 1 7 MET H 1 7 MET QG . . 4.290 2.348 2.132 2.765 . 0 0 "[ . 1 . 2]" 1
107 1 7 MET H 1 7 MET HG3 . . 5.100 3.188 2.278 3.858 . 0 0 "[ . 1 . 2]" 1
108 1 7 MET HA 1 7 MET HB2 . . 2.800 2.437 2.180 2.868 0.068 19 0 "[ . 1 . 2]" 1
109 1 7 MET HA 1 7 MET HB3 . . 2.800 2.408 2.118 2.614 . 0 0 "[ . 1 . 2]" 1
110 1 7 MET HA 1 8 CYS H . . 2.500 2.289 2.145 2.467 . 0 0 "[ . 1 . 2]" 1
111 1 7 MET HA 1 37 MET HA . . 2.700 2.122 2.010 2.321 . 0 0 "[ . 1 . 2]" 1
112 1 7 MET HA 1 38 VAL H . . 3.300 2.821 2.152 3.376 0.076 14 0 "[ . 1 . 2]" 1
113 1 7 MET HB2 1 8 CYS H . . 3.600 2.631 2.145 3.193 . 0 0 "[ . 1 . 2]" 1
114 1 7 MET HB3 1 8 CYS H . . 4.400 3.725 2.518 4.317 . 0 0 "[ . 1 . 2]" 1
115 1 7 MET HB3 1 19 ASP H . . 5.500 5.567 5.451 5.587 0.087 4 0 "[ . 1 . 2]" 1
116 1 7 MET HB3 1 84 TYR QE . . 7.500 4.034 2.314 5.498 . 0 0 "[ . 1 . 2]" 1
117 1 7 MET QG 1 84 TYR QE . . 6.720 3.335 2.231 4.439 . 0 0 "[ . 1 . 2]" 1
118 1 7 MET QG 1 84 TYR HH . . 6.380 3.265 2.286 5.642 . 0 0 "[ . 1 . 2]" 1
119 1 7 MET HG2 1 84 TYR QE . . 7.300 3.558 2.244 4.890 . 0 0 "[ . 1 . 2]" 1
120 1 7 MET HG3 1 84 TYR QE . . 7.300 4.339 2.380 5.663 . 0 0 "[ . 1 . 2]" 1
121 1 8 CYS CB 1 18 CYS SG . 3.000 3.100 3.087 3.030 3.135 0.035 20 0 "[ . 1 . 2]" 1
122 1 8 CYS H 1 8 CYS HB2 . . 3.200 2.605 2.506 2.691 . 0 0 "[ . 1 . 2]" 1
123 1 8 CYS H 1 8 CYS HB3 . . 3.700 3.745 3.638 3.775 0.075 1 0 "[ . 1 . 2]" 1
124 1 8 CYS H 1 34 VAL QG . . 6.560 3.145 2.421 3.940 . 0 0 "[ . 1 . 2]" 1
125 1 8 CYS H 1 36 TRP H . . 3.600 3.144 2.616 3.673 0.073 17 0 "[ . 1 . 2]" 1
126 1 8 CYS H 1 36 TRP HB2 . . 4.900 3.215 2.712 3.482 . 0 0 "[ . 1 . 2]" 1
127 1 8 CYS H 1 36 TRP HB3 . . 5.500 4.210 3.756 4.440 . 0 0 "[ . 1 . 2]" 1
128 1 8 CYS H 1 37 MET HA . . 3.400 3.384 2.925 3.480 0.080 8 0 "[ . 1 . 2]" 1
129 1 8 CYS H 1 38 VAL MG2 . . 6.500 3.397 2.530 3.786 . 0 0 "[ . 1 . 2]" 1
130 1 8 CYS H 1 75 ILE MD . . 6.500 5.268 5.051 5.347 . 0 0 "[ . 1 . 2]" 1
131 1 8 CYS HA 1 8 CYS HB3 . . 2.900 2.533 2.459 2.724 . 0 0 "[ . 1 . 2]" 1
132 1 8 CYS HA 1 9 LYS H . . 2.600 2.281 2.130 2.395 . 0 0 "[ . 1 . 2]" 1
133 1 8 CYS HA 1 10 ASN H . . 4.300 4.019 3.809 4.222 . 0 0 "[ . 1 . 2]" 1
134 1 8 CYS HA 1 18 CYS HA . . 2.600 2.039 1.951 2.384 . 0 0 "[ . 1 . 2]" 1
135 1 8 CYS HA 1 18 CYS HB2 . . 5.500 4.422 3.952 4.658 . 0 0 "[ . 1 . 2]" 1
136 1 8 CYS HA 1 18 CYS HB3 . . 4.400 3.514 2.739 4.251 . 0 0 "[ . 1 . 2]" 1
137 1 8 CYS HA 1 19 ASP H . . 3.500 3.566 3.501 3.591 0.091 15 0 "[ . 1 . 2]" 1
138 1 8 CYS HB2 1 9 LYS H . . 4.100 3.725 3.399 3.964 . 0 0 "[ . 1 . 2]" 1
139 1 8 CYS HB2 1 10 ASN H . . 3.200 3.238 3.031 3.285 0.085 17 0 "[ . 1 . 2]" 1
140 1 8 CYS HB2 1 36 TRP HB2 . . 3.300 2.657 2.283 3.349 0.049 17 0 "[ . 1 . 2]" 1
141 1 8 CYS HB2 1 36 TRP HD1 . . 5.500 5.079 4.447 5.574 0.074 17 0 "[ . 1 . 2]" 1
142 1 8 CYS HB3 1 9 LYS H . . 3.000 2.562 2.273 2.855 . 0 0 "[ . 1 . 2]" 1
143 1 8 CYS HB3 1 10 ASN H . . 2.700 2.381 1.876 2.666 . 0 0 "[ . 1 . 2]" 1
144 1 8 CYS HB3 1 36 TRP HB2 . . 5.500 3.820 3.370 4.455 . 0 0 "[ . 1 . 2]" 1
145 1 8 CYS SG 1 18 CYS CB . 3.000 3.100 3.124 3.063 3.159 0.059 7 0 "[ . 1 . 2]" 1
146 1 8 CYS SG 1 18 CYS SG . . 2.100 2.084 2.062 2.091 . 0 0 "[ . 1 . 2]" 1
147 1 9 LYS H 1 9 LYS HB2 . . 3.600 2.912 2.197 3.666 0.066 15 0 "[ . 1 . 2]" 1
148 1 9 LYS H 1 9 LYS QB . . 3.100 2.441 2.174 2.746 . 0 0 "[ . 1 . 2]" 1
149 1 9 LYS H 1 9 LYS HB3 . . 3.600 3.149 2.239 3.623 0.023 10 0 "[ . 1 . 2]" 1
150 1 9 LYS H 1 9 LYS QD . . 4.380 3.794 2.587 4.042 . 0 0 "[ . 1 . 2]" 1
151 1 9 LYS H 1 10 ASN H . . 3.100 2.545 2.264 2.779 . 0 0 "[ . 1 . 2]" 1
152 1 9 LYS H 1 18 CYS HA . . 3.500 3.501 3.212 3.596 0.096 15 0 "[ . 1 . 2]" 1
153 1 9 LYS H 1 34 VAL QG . . 7.860 3.543 2.867 4.267 . 0 0 "[ . 1 . 2]" 1
154 1 9 LYS HA 1 34 VAL H . . 4.700 4.486 4.175 4.768 0.068 8 0 "[ . 1 . 2]" 1
155 1 9 LYS HA 1 34 VAL HA . . 2.700 2.211 1.931 2.776 0.076 3 0 "[ . 1 . 2]" 1
156 1 9 LYS HA 1 35 HIS H . . 3.500 3.066 2.096 3.563 0.063 10 0 "[ . 1 . 2]" 1
157 1 9 LYS HA 1 35 HIS HD2 . . 5.500 4.359 3.347 5.558 0.058 5 0 "[ . 1 . 2]" 1
158 1 9 LYS HA 1 36 TRP HD1 . . 5.100 3.835 2.886 4.667 . 0 0 "[ . 1 . 2]" 1
159 1 9 LYS QB 1 10 ASN H . . 3.850 3.223 2.394 3.599 . 0 0 "[ . 1 . 2]" 1
160 1 9 LYS HB2 1 10 ASN H . . 4.100 3.486 2.437 4.184 0.084 6 0 "[ . 1 . 2]" 1
161 1 9 LYS HB3 1 10 ASN H . . 4.100 3.987 3.509 4.192 0.092 20 0 "[ . 1 . 2]" 1
162 1 9 LYS QD 1 10 ASN H . . 6.380 4.797 2.943 5.782 . 0 0 "[ . 1 . 2]" 1
163 1 9 LYS QD 1 34 VAL HA . . 5.780 4.780 3.284 5.260 . 0 0 "[ . 1 . 2]" 1
164 1 9 LYS QG 1 34 VAL HA . . 4.580 3.794 3.171 4.215 . 0 0 "[ . 1 . 2]" 1
165 1 10 ASN H 1 16 GLY HA2 . . 4.800 4.116 3.412 4.866 0.066 16 0 "[ . 1 . 2]" 1
166 1 10 ASN H 1 16 GLY HA3 . . 3.400 3.375 3.107 3.480 0.080 3 0 "[ . 1 . 2]" 1
167 1 10 ASN H 1 34 VAL QG . . 8.060 4.847 4.491 5.571 . 0 0 "[ . 1 . 2]" 1
168 1 10 ASN H 1 36 TRP HB2 . . 5.500 3.586 3.274 4.148 . 0 0 "[ . 1 . 2]" 1
169 1 10 ASN H 1 36 TRP HD1 . . 5.200 4.188 3.553 4.650 . 0 0 "[ . 1 . 2]" 1
170 1 10 ASN H 1 38 VAL MG2 . . 6.500 4.624 4.260 5.148 . 0 0 "[ . 1 . 2]" 1
171 1 10 ASN HA 1 10 ASN HB2 . . 2.800 2.397 2.277 2.610 . 0 0 "[ . 1 . 2]" 1
172 1 10 ASN HA 1 10 ASN HB3 . . 2.700 2.472 2.269 2.568 . 0 0 "[ . 1 . 2]" 1
173 1 10 ASN HA 1 11 CYS H . . 3.200 2.656 2.347 2.916 . 0 0 "[ . 1 . 2]" 1
174 1 10 ASN HA 1 36 TRP HD1 . . 3.400 2.910 2.451 3.395 . 0 0 "[ . 1 . 2]" 1
175 1 10 ASN HA 1 36 TRP HE1 . . 4.200 3.293 2.644 3.915 . 0 0 "[ . 1 . 2]" 1
176 1 10 ASN HB2 1 11 CYS H . . 2.800 2.090 1.967 2.267 . 0 0 "[ . 1 . 2]" 1
177 1 10 ASN HB2 1 12 ASP H . . 4.000 3.409 2.907 3.783 . 0 0 "[ . 1 . 2]" 1
178 1 10 ASN HB3 1 11 CYS H . . 3.500 3.554 3.385 3.576 0.076 12 0 "[ . 1 . 2]" 1
179 1 10 ASN HB3 1 12 ASP H . . 4.300 4.341 4.153 4.390 0.090 15 0 "[ . 1 . 2]" 1
180 1 10 ASN QD 1 15 THR MG . . 7.370 3.840 1.988 5.348 . 0 0 "[ . 1 . 2]" 1
181 1 10 ASN QD 1 16 GLY HA3 . . 6.370 3.405 2.576 3.957 . 0 0 "[ . 1 . 2]" 1
182 1 11 CYS CB 1 72 CYS SG . 3.000 3.100 3.079 3.026 3.130 0.030 4 0 "[ . 1 . 2]" 1
183 1 11 CYS H 1 11 CYS HB2 . . 3.500 2.469 2.257 2.701 . 0 0 "[ . 1 . 2]" 1
184 1 11 CYS H 1 11 CYS HB3 . . 2.900 2.437 2.314 2.549 . 0 0 "[ . 1 . 2]" 1
185 1 11 CYS HA 1 11 CYS HB2 . . 2.800 2.493 2.448 2.559 . 0 0 "[ . 1 . 2]" 1
186 1 11 CYS HA 1 12 ASP H . . 3.200 3.243 3.000 3.278 0.078 3 0 "[ . 1 . 2]" 1
187 1 11 CYS HA 1 38 VAL MG2 . . 4.300 2.801 2.422 3.156 . 0 0 "[ . 1 . 2]" 1
188 1 11 CYS HB2 1 12 ASP H . . 4.300 4.364 4.312 4.386 0.086 6 0 "[ . 1 . 2]" 1
189 1 11 CYS HB3 1 12 ASP H . . 4.700 3.653 3.497 3.923 . 0 0 "[ . 1 . 2]" 1
190 1 11 CYS SG 1 72 CYS CB . 3.000 3.100 3.045 2.985 3.117 0.017 6 0 "[ . 1 . 2]" 1
191 1 11 CYS SG 1 72 CYS SG . . 2.100 2.083 2.077 2.091 . 0 0 "[ . 1 . 2]" 1
192 1 12 ASP H 1 12 ASP HB2 . . 3.000 2.961 2.722 3.084 0.084 8 0 "[ . 1 . 2]" 1
193 1 12 ASP H 1 12 ASP HB3 . . 2.900 2.629 2.448 2.825 . 0 0 "[ . 1 . 2]" 1
194 1 12 ASP H 1 38 VAL MG1 . . 6.500 5.076 4.055 5.311 . 0 0 "[ . 1 . 2]" 1
195 1 12 ASP HA 1 12 ASP HB2 . . 3.000 2.453 2.373 2.517 . 0 0 "[ . 1 . 2]" 1
196 1 12 ASP HA 1 13 PRO HD2 . . 2.700 2.172 2.079 2.371 . 0 0 "[ . 1 . 2]" 1
197 1 12 ASP HA 1 13 PRO HD3 . . 2.700 2.667 2.461 2.773 0.073 12 0 "[ . 1 . 2]" 1
198 1 12 ASP HB3 1 15 THR H . . 3.800 3.228 2.881 3.523 . 0 0 "[ . 1 . 2]" 1
199 1 12 ASP HB3 1 16 GLY H . . 4.100 3.694 2.700 4.178 0.078 16 0 "[ . 1 . 2]" 1
200 1 13 PRO HB2 1 14 ASN H . . 3.700 3.616 3.031 3.775 0.075 12 0 "[ . 1 . 2]" 1
201 1 13 PRO HB2 1 20 TRP HE1 . . 5.500 4.933 3.976 5.558 0.058 18 0 "[ . 1 . 2]" 1
202 1 13 PRO HB2 1 20 TRP HH2 . . 5.200 4.499 3.452 5.246 0.046 1 0 "[ . 1 . 2]" 1
203 1 13 PRO HB2 1 20 TRP HZ2 . . 4.000 3.127 2.507 3.607 . 0 0 "[ . 1 . 2]" 1
204 1 13 PRO HB3 1 20 TRP HZ2 . . 3.800 3.679 2.393 3.874 0.074 17 0 "[ . 1 . 2]" 1
205 1 13 PRO QD 1 38 VAL MG1 . . 6.480 2.306 2.040 2.766 . 0 0 "[ . 1 . 2]" 1
206 1 13 PRO HD2 1 14 ASN H . . 5.400 2.875 2.515 3.264 . 0 0 "[ . 1 . 2]" 1
207 1 13 PRO HD3 1 14 ASN H . . 5.400 4.009 3.754 4.309 . 0 0 "[ . 1 . 2]" 1
208 1 14 ASN H 1 14 ASN HB2 . . 3.000 2.517 2.165 3.068 0.068 5 0 "[ . 1 . 2]" 1
209 1 14 ASN H 1 14 ASN HB3 . . 2.900 2.592 2.119 2.893 . 0 0 "[ . 1 . 2]" 1
210 1 14 ASN H 1 15 THR H . . 4.000 2.609 2.353 2.969 . 0 0 "[ . 1 . 2]" 1
211 1 14 ASN H 1 15 THR MG . . 6.500 4.260 3.746 4.714 . 0 0 "[ . 1 . 2]" 1
212 1 14 ASN HA 1 14 ASN HB2 . . 2.900 2.504 2.274 2.685 . 0 0 "[ . 1 . 2]" 1
213 1 14 ASN HA 1 15 THR H . . 3.500 3.563 3.530 3.580 0.080 14 0 "[ . 1 . 2]" 1
214 1 14 ASN HB2 1 15 THR MG . . 5.800 4.334 3.971 4.678 . 0 0 "[ . 1 . 2]" 1
215 1 14 ASN HB3 1 15 THR H . . 3.400 2.578 2.092 3.053 . 0 0 "[ . 1 . 2]" 1
216 1 14 ASN HB3 1 15 THR MG . . 6.000 2.887 2.373 3.495 . 0 0 "[ . 1 . 2]" 1
217 1 15 THR H 1 15 THR MG . . 4.600 2.443 2.074 2.758 . 0 0 "[ . 1 . 2]" 1
218 1 15 THR H 1 16 GLY H . . 2.500 2.358 2.051 2.564 0.064 9 0 "[ . 1 . 2]" 1
219 1 15 THR HA 1 16 GLY H . . 3.100 3.148 2.956 3.184 0.084 14 0 "[ . 1 . 2]" 1
220 1 15 THR MG 1 16 GLY H . . 6.500 3.920 3.140 4.353 . 0 0 "[ . 1 . 2]" 1
221 1 16 GLY H 1 16 GLY HA2 . . 2.900 2.937 2.846 2.981 0.081 16 0 "[ . 1 . 2]" 1
222 1 16 GLY H 1 16 GLY HA3 . . 2.900 2.400 2.283 2.566 . 0 0 "[ . 1 . 2]" 1
223 1 16 GLY HA3 1 17 SER H . . 3.100 2.990 2.298 3.188 0.088 3 0 "[ . 1 . 2]" 1
224 1 17 SER HA 1 18 CYS H . . 2.700 2.191 2.008 2.274 . 0 0 "[ . 1 . 2]" 1
225 1 17 SER QB 1 18 CYS H . . 4.010 3.561 3.102 3.722 . 0 0 "[ . 1 . 2]" 1
226 1 17 SER HB2 1 18 CYS H . . 4.300 4.152 3.513 4.380 0.080 6 0 "[ . 1 . 2]" 1
227 1 17 SER HB3 1 18 CYS H . . 4.300 3.941 3.179 4.381 0.081 11 0 "[ . 1 . 2]" 1
228 1 18 CYS H 1 18 CYS HB2 . . 3.000 2.410 2.327 2.527 . 0 0 "[ . 1 . 2]" 1
229 1 18 CYS H 1 18 CYS HB3 . . 3.500 3.581 3.535 3.594 0.094 6 0 "[ . 1 . 2]" 1
230 1 18 CYS H 1 20 TRP HD1 . . 5.500 3.727 3.135 4.473 . 0 0 "[ . 1 . 2]" 1
231 1 18 CYS H 1 20 TRP HE1 . . 5.500 3.469 2.934 4.086 . 0 0 "[ . 1 . 2]" 1
232 1 18 CYS HA 1 18 CYS HB3 . . 2.800 2.522 2.431 2.808 0.008 15 0 "[ . 1 . 2]" 1
233 1 18 CYS HA 1 19 ASP H . . 2.600 2.395 2.267 2.579 . 0 0 "[ . 1 . 2]" 1
234 1 18 CYS HB2 1 20 TRP HD1 . . 3.500 3.207 2.532 3.569 0.069 1 0 "[ . 1 . 2]" 1
235 1 18 CYS HB2 1 20 TRP HE1 . . 4.100 2.376 2.150 2.643 . 0 0 "[ . 1 . 2]" 1
236 1 18 CYS HB3 1 19 ASP H . . 3.100 2.883 2.357 3.166 0.066 4 0 "[ . 1 . 2]" 1
237 1 18 CYS HB3 1 20 TRP HE1 . . 4.800 3.832 3.074 4.381 . 0 0 "[ . 1 . 2]" 1
238 1 19 ASP H 1 19 ASP HB2 . . 3.600 3.673 3.642 3.697 0.097 12 0 "[ . 1 . 2]" 1
239 1 19 ASP H 1 19 ASP HB3 . . 3.000 2.915 2.466 3.081 0.081 17 0 "[ . 1 . 2]" 1
240 1 19 ASP HA 1 19 ASP HB2 . . 2.800 2.352 2.136 2.531 . 0 0 "[ . 1 . 2]" 1
241 1 19 ASP HA 1 19 ASP HB3 . . 2.800 2.300 2.183 2.710 . 0 0 "[ . 1 . 2]" 1
242 1 19 ASP HA 1 20 TRP H . . 3.200 2.067 1.943 2.355 . 0 0 "[ . 1 . 2]" 1
243 1 19 ASP HB2 1 20 TRP H . . 4.100 3.691 2.639 4.039 . 0 0 "[ . 1 . 2]" 1
244 1 19 ASP HB2 1 21 LYS H . . 4.500 3.281 2.790 3.915 . 0 0 "[ . 1 . 2]" 1
245 1 19 ASP HB3 1 20 TRP H . . 4.200 4.221 3.928 4.291 0.091 8 0 "[ . 1 . 2]" 1
246 1 20 TRP H 1 20 TRP HB2 . . 3.500 2.477 2.295 3.062 . 0 0 "[ . 1 . 2]" 1
247 1 20 TRP H 1 20 TRP HB3 . . 3.900 3.616 3.499 3.965 0.065 3 0 "[ . 1 . 2]" 1
248 1 20 TRP H 1 20 TRP HD1 . . 4.600 2.577 2.106 3.914 . 0 0 "[ . 1 . 2]" 1
249 1 20 TRP H 1 21 LYS H . . 3.200 3.218 2.392 3.284 0.084 7 0 "[ . 1 . 2]" 1
250 1 20 TRP HA 1 20 TRP HB3 . . 2.700 2.436 2.390 2.490 . 0 0 "[ . 1 . 2]" 1
251 1 20 TRP HA 1 20 TRP HE3 . . 3.300 3.313 2.721 3.376 0.076 1 0 "[ . 1 . 2]" 1
252 1 20 TRP HA 1 21 LYS H . . 2.800 2.612 2.437 2.824 0.024 11 0 "[ . 1 . 2]" 1
253 1 20 TRP HB2 1 20 TRP HD1 . . 3.300 2.696 2.607 2.787 . 0 0 "[ . 1 . 2]" 1
254 1 20 TRP HB2 1 20 TRP HE3 . . 4.100 4.116 4.036 4.169 0.069 7 0 "[ . 1 . 2]" 1
255 1 20 TRP HB3 1 20 TRP HE3 . . 3.300 2.587 2.475 2.739 . 0 0 "[ . 1 . 2]" 1
256 1 20 TRP HB3 1 21 LYS H . . 5.200 4.415 4.300 4.526 . 0 0 "[ . 1 . 2]" 1
257 1 21 LYS H 1 21 LYS HB2 . . 3.500 2.354 2.080 2.936 . 0 0 "[ . 1 . 2]" 1
258 1 21 LYS H 1 21 LYS QB . . 3.140 2.285 2.035 2.567 . 0 0 "[ . 1 . 2]" 1
259 1 21 LYS H 1 21 LYS HB3 . . 3.500 3.266 2.779 3.497 . 0 0 "[ . 1 . 2]" 1
260 1 21 LYS H 1 21 LYS HD2 . . 5.500 4.743 3.271 5.306 . 0 0 "[ . 1 . 2]" 1
261 1 21 LYS H 1 21 LYS QD . . 4.900 4.052 3.061 4.483 . 0 0 "[ . 1 . 2]" 1
262 1 21 LYS H 1 21 LYS HD3 . . 5.500 4.493 3.365 5.359 . 0 0 "[ . 1 . 2]" 1
263 1 21 LYS H 1 21 LYS HG2 . . 5.500 4.189 3.531 4.955 . 0 0 "[ . 1 . 2]" 1
264 1 21 LYS H 1 21 LYS QG . . 4.900 3.818 3.375 4.281 . 0 0 "[ . 1 . 2]" 1
265 1 21 LYS H 1 21 LYS HG3 . . 5.500 4.484 4.203 4.744 . 0 0 "[ . 1 . 2]" 1
266 1 21 LYS HA 1 21 LYS HD2 . . 3.400 2.852 2.141 3.479 0.079 2 0 "[ . 1 . 2]" 1
267 1 21 LYS HA 1 21 LYS QD . . 3.180 2.205 2.099 2.462 . 0 0 "[ . 1 . 2]" 1
268 1 21 LYS HA 1 21 LYS HD3 . . 3.400 2.640 2.150 3.488 0.088 4 0 "[ . 1 . 2]" 1
269 1 21 LYS HA 1 21 LYS QG . . 3.890 2.464 2.250 2.978 . 0 0 "[ . 1 . 2]" 1
270 1 21 LYS HA 1 22 GLN H . . 2.600 2.531 2.323 2.676 0.076 16 0 "[ . 1 . 2]" 1
271 1 21 LYS QB 1 22 GLN H . . 5.400 2.608 2.221 3.363 . 0 0 "[ . 1 . 2]" 1
272 1 21 LYS QG 1 22 GLN H . . 5.500 3.241 2.102 4.083 . 0 0 "[ . 1 . 2]" 1
273 1 22 GLN H 1 22 GLN HB2 . . 3.100 2.481 2.168 2.733 . 0 0 "[ . 1 . 2]" 1
274 1 22 GLN H 1 22 GLN HB3 . . 2.900 2.590 2.374 2.785 . 0 0 "[ . 1 . 2]" 1
275 1 22 GLN HA 1 22 GLN QE . . 5.570 4.352 2.295 4.951 . 0 0 "[ . 1 . 2]" 1
276 1 22 GLN HA 1 23 ASN H . . 2.500 2.204 2.109 2.377 . 0 0 "[ . 1 . 2]" 1
277 1 22 GLN HB2 1 23 ASN H . . 4.100 4.092 3.891 4.177 0.077 5 0 "[ . 1 . 2]" 1
278 1 22 GLN HB3 1 23 ASN H . . 3.700 3.771 3.713 3.791 0.091 4 0 "[ . 1 . 2]" 1
279 1 22 GLN QE 1 24 TRP H . . 5.970 3.968 2.111 5.403 . 0 0 "[ . 1 . 2]" 1
280 1 22 GLN HE21 1 26 THR MG . . 6.500 4.068 2.206 5.415 . 0 0 "[ . 1 . 2]" 1
281 1 22 GLN HE22 1 26 THR MG . . 6.500 4.495 2.505 5.429 . 0 0 "[ . 1 . 2]" 1
282 1 22 GLN QG 1 23 ASN H . . 5.900 2.409 2.132 2.753 . 0 0 "[ . 1 . 2]" 1
283 1 22 GLN QG 1 24 TRP H . . 6.500 2.568 1.943 3.351 . 0 0 "[ . 1 . 2]" 1
284 1 22 GLN QG 1 24 TRP HD1 . . 6.500 4.341 3.160 5.893 . 0 0 "[ . 1 . 2]" 1
285 1 23 ASN H 1 23 ASN HB2 . . 4.000 3.156 2.446 4.038 0.038 3 0 "[ . 1 . 2]" 1
286 1 23 ASN H 1 23 ASN QB . . 3.750 2.864 2.405 3.281 . 0 0 "[ . 1 . 2]" 1
287 1 23 ASN H 1 23 ASN HB3 . . 4.000 3.671 3.364 3.936 . 0 0 "[ . 1 . 2]" 1
288 1 23 ASN H 1 24 TRP H . . 2.800 1.989 1.717 2.715 . 0 0 "[ . 1 . 2]" 1
289 1 23 ASN H 1 28 VAL MG2 . . 6.500 4.768 4.024 5.411 . 0 0 "[ . 1 . 2]" 1
290 1 23 ASN HA 1 24 TRP H . . 3.500 3.363 2.865 3.581 0.081 6 0 "[ . 1 . 2]" 1
291 1 23 ASN QB 1 84 TYR QE . . 7.200 2.727 2.191 3.747 . 0 0 "[ . 1 . 2]" 1
292 1 23 ASN QB 1 86 ARG H . . 5.130 3.779 2.551 4.622 . 0 0 "[ . 1 . 2]" 1
293 1 23 ASN HB2 1 84 TYR QE . . 7.500 3.720 2.208 5.260 . 0 0 "[ . 1 . 2]" 1
294 1 23 ASN HB2 1 86 ARG H . . 5.500 4.493 2.571 5.573 0.073 12 0 "[ . 1 . 2]" 1
295 1 23 ASN HB3 1 84 TYR QE . . 7.500 3.037 2.213 3.836 . 0 0 "[ . 1 . 2]" 1
296 1 23 ASN HB3 1 86 ARG H . . 5.500 4.521 3.217 5.569 0.069 3 0 "[ . 1 . 2]" 1
297 1 23 ASN QD 1 84 TYR QE . . 6.670 3.925 3.218 5.037 . 0 0 "[ . 1 . 2]" 1
298 1 23 ASN HD21 1 84 TYR HH . . 5.500 3.830 2.198 5.567 0.067 15 0 "[ . 1 . 2]" 1
299 1 23 ASN HD22 1 84 TYR HH . . 5.500 3.936 2.578 5.568 0.068 3 0 "[ . 1 . 2]" 1
300 1 24 TRP H 1 24 TRP HB2 . . 3.300 2.556 1.960 3.259 . 0 0 "[ . 1 . 2]" 1
301 1 24 TRP H 1 24 TRP QB . . 2.980 2.062 1.799 2.251 . 0 0 "[ . 1 . 2]" 1
302 1 24 TRP H 1 24 TRP HB3 . . 3.300 2.663 1.858 3.378 0.078 15 0 "[ . 1 . 2]" 1
303 1 24 TRP H 1 24 TRP HD1 . . 3.800 3.767 2.997 3.905 0.105 6 0 "[ . 1 . 2]" 1
304 1 24 TRP H 1 25 ASN H . . 4.300 4.153 2.756 4.386 0.086 18 0 "[ . 1 . 2]" 1
305 1 24 TRP H 1 26 THR H . . 5.000 4.818 4.155 5.094 0.094 3 0 "[ . 1 . 2]" 1
306 1 24 TRP HA 1 24 TRP HE3 . . 3.700 2.870 2.207 3.563 . 0 0 "[ . 1 . 2]" 1
307 1 24 TRP HA 1 25 ASN H . . 2.800 2.358 2.101 2.868 0.068 3 0 "[ . 1 . 2]" 1
308 1 24 TRP HA 1 26 THR H . . 4.600 4.153 3.453 4.585 . 0 0 "[ . 1 . 2]" 1
309 1 24 TRP HA 1 86 ARG H . . 3.400 3.132 2.484 3.482 0.082 1 0 "[ . 1 . 2]" 1
310 1 24 TRP HA 1 86 ARG QB . . 4.680 2.451 1.927 4.293 . 0 0 "[ . 1 . 2]" 1
311 1 24 TRP HE3 1 87 VAL HA . . 5.500 4.657 3.115 5.573 0.073 16 0 "[ . 1 . 2]" 1
312 1 24 TRP HH2 1 88 GLU HA . . 3.000 2.889 2.150 3.078 0.078 4 0 "[ . 1 . 2]" 1
313 1 24 TRP HZ2 1 88 GLU HA . . 5.500 4.582 2.148 5.544 0.044 9 0 "[ . 1 . 2]" 1
314 1 24 TRP HZ3 1 87 VAL HA . . 4.400 3.617 2.457 4.487 0.087 1 0 "[ . 1 . 2]" 1
315 1 25 ASN H 1 25 ASN HB2 . . 4.100 3.107 2.371 3.565 . 0 0 "[ . 1 . 2]" 1
316 1 25 ASN H 1 25 ASN QB . . 3.900 2.937 2.181 3.339 . 0 0 "[ . 1 . 2]" 1
317 1 25 ASN H 1 25 ASN HB3 . . 4.100 3.694 2.499 4.131 0.031 11 0 "[ . 1 . 2]" 1
318 1 25 ASN H 1 26 THR H . . 3.500 2.952 1.795 3.597 0.097 8 0 "[ . 1 . 2]" 1
319 1 25 ASN HA 1 26 THR H . . 3.500 2.761 2.253 3.576 0.076 12 0 "[ . 1 . 2]" 1
320 1 25 ASN HB2 1 26 THR H . . 4.600 4.472 4.088 4.667 0.067 19 0 "[ . 1 . 2]" 1
321 1 25 ASN HB3 1 26 THR H . . 4.600 4.263 2.801 4.504 . 0 0 "[ . 1 . 2]" 1
322 1 26 THR H 1 26 THR HB . . 3.600 3.449 2.442 3.676 0.076 19 0 "[ . 1 . 2]" 1
323 1 26 THR H 1 27 CYS H . . 4.700 4.284 4.096 4.471 . 0 0 "[ . 1 . 2]" 1
324 1 26 THR H 1 85 ARG QB . . 4.880 3.909 3.120 4.477 . 0 0 "[ . 1 . 2]" 1
325 1 26 THR H 1 85 ARG HD2 . . 4.600 4.438 3.506 4.677 0.077 7 0 "[ . 1 . 2]" 1
326 1 26 THR H 1 85 ARG HD3 . . 4.600 4.236 3.121 4.684 0.084 16 0 "[ . 1 . 2]" 1
327 1 26 THR HA 1 26 THR HB . . 3.000 2.505 2.256 2.958 . 0 0 "[ . 1 . 2]" 1
328 1 26 THR HA 1 27 CYS H . . 2.700 2.384 2.120 2.747 0.047 10 0 "[ . 1 . 2]" 1
329 1 26 THR HB 1 27 CYS H . . 3.800 3.621 2.382 3.886 0.086 18 0 "[ . 1 . 2]" 1
330 1 26 THR HB 1 28 VAL MG2 . . 6.500 4.014 2.128 5.397 . 0 0 "[ . 1 . 2]" 1
331 1 26 THR MG 1 27 CYS H . . 5.300 3.379 1.879 4.166 . 0 0 "[ . 1 . 2]" 1
332 1 27 CYS CB 1 58 CYS SG . 3.000 3.100 3.062 2.903 3.133 0.097 3 0 "[ . 1 . 2]" 1
333 1 27 CYS H 1 27 CYS HA . . 2.800 2.868 2.705 2.898 0.098 18 0 "[ . 1 . 2]" 1
334 1 27 CYS H 1 27 CYS HB2 . . 3.200 2.668 2.316 3.269 0.069 4 0 "[ . 1 . 2]" 1
335 1 27 CYS H 1 27 CYS HB3 . . 3.100 2.547 2.227 3.117 0.017 17 0 "[ . 1 . 2]" 1
336 1 27 CYS HA 1 27 CYS HB2 . . 2.900 2.499 2.300 2.645 . 0 0 "[ . 1 . 2]" 1
337 1 27 CYS HA 1 28 VAL H . . 2.500 2.366 2.152 2.528 0.028 17 0 "[ . 1 . 2]" 1
338 1 27 CYS HB2 1 28 VAL H . . 5.400 4.610 4.200 4.753 . 0 0 "[ . 1 . 2]" 1
339 1 27 CYS HB2 1 58 CYS HB2 . . 5.500 4.738 3.334 5.233 . 0 0 "[ . 1 . 2]" 1
340 1 27 CYS SG 1 58 CYS CB . 3.000 3.100 3.086 2.992 3.161 0.061 17 0 "[ . 1 . 2]" 1
341 1 27 CYS SG 1 58 CYS SG . . 2.100 2.096 2.084 2.114 0.014 15 0 "[ . 1 . 2]" 1
342 1 28 VAL H 1 28 VAL HB . . 2.900 2.493 2.224 2.899 . 0 0 "[ . 1 . 2]" 1
343 1 28 VAL H 1 84 TYR H . . 3.400 3.281 2.816 3.477 0.077 10 0 "[ . 1 . 2]" 1
344 1 28 VAL H 1 84 TYR QD . . 7.500 4.626 3.206 5.766 . 0 0 "[ . 1 . 2]" 1
345 1 28 VAL HA 1 28 VAL MG1 . . 3.700 2.447 2.252 2.817 . 0 0 "[ . 1 . 2]" 1
346 1 28 VAL HA 1 29 GLY H . . 2.400 2.248 2.077 2.463 0.063 15 0 "[ . 1 . 2]" 1
347 1 28 VAL HB 1 29 GLY H . . 4.400 4.156 3.585 4.467 0.067 14 0 "[ . 1 . 2]" 1
348 1 28 VAL HB 1 84 TYR H . . 5.000 3.717 3.103 4.326 . 0 0 "[ . 1 . 2]" 1
349 1 28 VAL HB 1 84 TYR QD . . 6.600 3.681 2.456 5.541 . 0 0 "[ . 1 . 2]" 1
350 1 28 VAL HB 1 84 TYR QE . . 6.300 3.441 2.261 5.501 . 0 0 "[ . 1 . 2]" 1
351 1 28 VAL MG1 1 29 GLY H . . 4.100 2.623 2.045 3.334 . 0 0 "[ . 1 . 2]" 1
352 1 28 VAL MG1 1 29 GLY QA . . 7.380 3.646 3.401 3.949 . 0 0 "[ . 1 . 2]" 1
353 1 28 VAL MG1 1 83 SER HA . . 6.500 4.755 4.225 5.199 . 0 0 "[ . 1 . 2]" 1
354 1 28 VAL MG1 1 84 TYR H . . 6.500 4.439 3.779 5.467 . 0 0 "[ . 1 . 2]" 1
355 1 28 VAL MG1 1 84 TYR QD . . 8.500 3.884 2.646 5.674 . 0 0 "[ . 1 . 2]" 1
356 1 28 VAL MG1 1 84 TYR QE . . 6.300 2.979 2.043 4.615 . 0 0 "[ . 1 . 2]" 1
357 1 28 VAL MG1 1 84 TYR HH . . 6.500 3.807 2.246 5.331 . 0 0 "[ . 1 . 2]" 1
358 1 28 VAL MG2 1 29 GLY H . . 6.500 3.999 3.503 4.375 . 0 0 "[ . 1 . 2]" 1
359 1 28 VAL MG2 1 84 TYR H . . 6.500 4.810 3.961 5.509 . 0 0 "[ . 1 . 2]" 1
360 1 29 GLY H 1 29 GLY HA2 . . 2.800 2.877 2.833 2.897 0.097 15 0 "[ . 1 . 2]" 1
361 1 29 GLY H 1 29 GLY HA3 . . 2.800 2.308 2.243 2.472 . 0 0 "[ . 1 . 2]" 1
362 1 29 GLY QA 1 30 ILE H . . 2.720 2.165 1.998 2.297 . 0 0 "[ . 1 . 2]" 1
363 1 29 GLY QA 1 83 SER HA . . 4.680 2.659 2.142 3.727 . 0 0 "[ . 1 . 2]" 1
364 1 29 GLY QA 1 84 TYR H . . 6.380 4.170 3.679 5.464 . 0 0 "[ . 1 . 2]" 1
365 1 29 GLY HA2 1 30 ILE H . . 3.000 2.229 2.024 2.460 . 0 0 "[ . 1 . 2]" 1
366 1 29 GLY HA3 1 30 ILE H . . 3.000 3.000 2.753 3.094 0.094 15 0 "[ . 1 . 2]" 1
367 1 30 ILE H 1 30 ILE HB . . 2.900 2.570 2.220 2.976 0.076 4 0 "[ . 1 . 2]" 1
368 1 30 ILE H 1 30 ILE QG . . 4.280 2.847 2.118 3.817 . 0 0 "[ . 1 . 2]" 1
369 1 30 ILE H 1 31 GLY H . . 5.500 4.477 4.256 4.693 . 0 0 "[ . 1 . 2]" 1
370 1 30 ILE H 1 82 ARG HA . . 3.700 3.413 2.840 3.756 0.056 13 0 "[ . 1 . 2]" 1
371 1 30 ILE H 1 83 SER HA . . 3.200 2.818 2.119 3.272 0.072 15 0 "[ . 1 . 2]" 1
372 1 30 ILE HA 1 30 ILE HG12 . . 4.000 3.068 2.563 3.755 . 0 0 "[ . 1 . 2]" 1
373 1 30 ILE HA 1 30 ILE QG . . 3.650 2.708 2.188 3.352 . 0 0 "[ . 1 . 2]" 1
374 1 30 ILE HA 1 30 ILE HG13 . . 4.000 3.236 2.211 4.025 0.025 4 0 "[ . 1 . 2]" 1
375 1 30 ILE HA 1 31 GLY H . . 2.400 2.389 2.253 2.483 0.083 4 0 "[ . 1 . 2]" 1
376 1 30 ILE HA 1 84 TYR QE . . 7.500 5.068 3.771 6.094 . 0 0 "[ . 1 . 2]" 1
377 1 30 ILE HB 1 31 GLY H . . 4.700 3.826 3.152 4.203 . 0 0 "[ . 1 . 2]" 1
378 1 30 ILE HB 1 82 ARG HA . . 3.200 2.907 2.242 3.264 0.064 12 0 "[ . 1 . 2]" 1
379 1 30 ILE HB 1 83 SER HA . . 5.300 3.526 2.349 4.363 . 0 0 "[ . 1 . 2]" 1
380 1 30 ILE MD 1 31 GLY H . . 6.500 4.563 3.174 5.266 . 0 0 "[ . 1 . 2]" 1
381 1 30 ILE MD 1 82 ARG HA . . 6.500 4.459 3.132 5.531 . 0 0 "[ . 1 . 2]" 1
382 1 30 ILE MD 1 83 SER HA . . 5.900 3.202 1.739 4.454 . 0 0 "[ . 1 . 2]" 1
383 1 30 ILE MD 1 84 TYR H . . 6.500 3.703 2.177 4.586 . 0 0 "[ . 1 . 2]" 1
384 1 30 ILE QG 1 83 SER HA . . 3.880 2.591 2.027 3.645 . 0 0 "[ . 1 . 2]" 1
385 1 30 ILE QG 1 84 TYR H . . 5.280 3.556 2.929 4.298 . 0 0 "[ . 1 . 2]" 1
386 1 30 ILE QG 1 84 TYR QE . . 7.180 3.103 2.142 4.532 . 0 0 "[ . 1 . 2]" 1
387 1 30 ILE HG12 1 84 TYR H . . 5.500 4.331 3.072 5.386 . 0 0 "[ . 1 . 2]" 1
388 1 30 ILE HG12 1 84 TYR QD . . 5.400 2.720 2.307 3.742 . 0 0 "[ . 1 . 2]" 1
389 1 30 ILE HG13 1 84 TYR H . . 5.500 4.082 3.013 5.561 0.061 15 0 "[ . 1 . 2]" 1
390 1 30 ILE HG13 1 84 TYR QD . . 5.400 2.896 2.132 4.138 . 0 0 "[ . 1 . 2]" 1
391 1 30 ILE MG 1 31 GLY H . . 4.500 2.212 1.934 2.671 . 0 0 "[ . 1 . 2]" 1
392 1 30 ILE MG 1 34 VAL H . . 6.500 4.442 3.548 5.351 . 0 0 "[ . 1 . 2]" 1
393 1 30 ILE MG 1 82 ARG HA . . 6.500 3.914 2.914 4.654 . 0 0 "[ . 1 . 2]" 1
394 1 31 GLY H 1 31 GLY QA . . 2.640 2.435 2.177 2.515 . 0 0 "[ . 1 . 2]" 1
395 1 31 GLY H 1 32 ALA H . . 4.200 4.257 4.195 4.279 0.079 4 0 "[ . 1 . 2]" 1
396 1 31 GLY H 1 34 VAL HB . . 3.700 2.898 2.004 3.775 0.075 4 0 "[ . 1 . 2]" 1
397 1 31 GLY H 1 34 VAL QG . . 6.260 2.922 2.107 3.586 . 0 0 "[ . 1 . 2]" 1
398 1 31 GLY QA 1 32 ALA H . . 2.660 2.191 2.049 2.295 . 0 0 "[ . 1 . 2]" 1
399 1 31 GLY QA 1 32 ALA MB . . 7.380 3.553 3.348 3.753 . 0 0 "[ . 1 . 2]" 1
400 1 31 GLY QA 1 33 ASN H . . 5.280 4.473 3.959 4.779 . 0 0 "[ . 1 . 2]" 1
401 1 31 GLY QA 1 34 VAL QG . . 8.340 3.835 2.541 4.398 . 0 0 "[ . 1 . 2]" 1
402 1 31 GLY HA2 1 32 ALA H . . 2.900 2.476 2.088 2.961 0.061 8 0 "[ . 1 . 2]" 1
403 1 31 GLY HA3 1 32 ALA H . . 2.900 2.547 2.188 2.972 0.072 11 0 "[ . 1 . 2]" 1
404 1 32 ALA H 1 32 ALA HA . . 2.500 2.190 2.129 2.247 . 0 0 "[ . 1 . 2]" 1
405 1 32 ALA H 1 32 ALA MB . . 3.400 2.823 2.561 2.929 . 0 0 "[ . 1 . 2]" 1
406 1 32 ALA H 1 33 ASN H . . 3.700 3.161 2.695 3.546 . 0 0 "[ . 1 . 2]" 1
407 1 32 ALA H 1 34 VAL QG . . 8.060 4.580 3.392 5.263 . 0 0 "[ . 1 . 2]" 1
408 1 32 ALA HA 1 33 ASN H . . 2.400 2.130 2.035 2.234 . 0 0 "[ . 1 . 2]" 1
409 1 32 ALA HA 1 34 VAL H . . 3.700 3.786 3.686 3.806 0.106 16 0 "[ . 1 . 2]" 1
410 1 32 ALA HA 1 80 TYR QE . . 7.500 6.079 4.189 6.952 . 0 0 "[ . 1 . 2]" 1
411 1 32 ALA MB 1 33 ASN H . . 4.400 3.595 3.460 3.683 . 0 0 "[ . 1 . 2]" 1
412 1 32 ALA MB 1 33 ASN HD21 . . 6.500 4.354 2.722 5.417 . 0 0 "[ . 1 . 2]" 1
413 1 32 ALA MB 1 33 ASN QD . . 6.340 3.903 2.667 4.680 . 0 0 "[ . 1 . 2]" 1
414 1 32 ALA MB 1 33 ASN HD22 . . 6.500 4.623 3.577 5.131 . 0 0 "[ . 1 . 2]" 1
415 1 32 ALA MB 1 34 VAL H . . 6.500 4.039 3.763 4.300 . 0 0 "[ . 1 . 2]" 1
416 1 33 ASN H 1 33 ASN HA . . 2.500 2.234 2.188 2.283 . 0 0 "[ . 1 . 2]" 1
417 1 33 ASN H 1 34 VAL H . . 2.900 2.696 2.399 2.909 0.009 14 0 "[ . 1 . 2]" 1
418 1 33 ASN HA 1 34 VAL H . . 3.200 3.160 2.915 3.269 0.069 2 0 "[ . 1 . 2]" 1
419 1 33 ASN HA 1 35 HIS HD2 . . 4.800 3.718 2.359 4.823 0.023 6 0 "[ . 1 . 2]" 1
420 1 33 ASN QB 1 35 HIS HD2 . . 6.500 4.279 3.154 5.347 . 0 0 "[ . 1 . 2]" 1
421 1 34 VAL H 1 34 VAL HB . . 2.500 2.460 2.279 2.578 0.078 3 0 "[ . 1 . 2]" 1
422 1 34 VAL H 1 34 VAL QG . . 4.100 2.559 2.232 3.148 . 0 0 "[ . 1 . 2]" 1
423 1 34 VAL HA 1 35 HIS H . . 2.700 2.172 2.080 2.264 . 0 0 "[ . 1 . 2]" 1
424 1 34 VAL HA 1 35 HIS HD2 . . 5.500 3.967 3.339 4.848 . 0 0 "[ . 1 . 2]" 1
425 1 34 VAL HA 1 36 TRP H . . 3.500 3.548 3.378 3.594 0.094 16 0 "[ . 1 . 2]" 1
426 1 34 VAL HA 1 36 TRP HD1 . . 5.500 4.193 3.770 5.097 . 0 0 "[ . 1 . 2]" 1
427 1 34 VAL QG 1 35 HIS H . . 6.160 3.119 2.782 3.374 . 0 0 "[ . 1 . 2]" 1
428 1 34 VAL QG 1 36 TRP H . . 5.960 2.974 2.393 3.354 . 0 0 "[ . 1 . 2]" 1
429 1 34 VAL QG 1 36 TRP HD1 . . 8.060 4.689 4.262 5.301 . 0 0 "[ . 1 . 2]" 1
430 1 35 HIS H 1 35 HIS HD2 . . 3.700 2.848 2.310 3.460 . 0 0 "[ . 1 . 2]" 1
431 1 35 HIS H 1 36 TRP H . . 2.500 2.224 1.952 2.530 0.030 11 0 "[ . 1 . 2]" 1
432 1 35 HIS HA 1 35 HIS HB3 . . 2.900 2.481 2.340 2.631 . 0 0 "[ . 1 . 2]" 1
433 1 35 HIS HA 1 36 TRP H . . 3.300 2.931 2.757 3.124 . 0 0 "[ . 1 . 2]" 1
434 1 35 HIS HA 1 75 ILE HB . . 3.800 2.594 2.321 2.810 . 0 0 "[ . 1 . 2]" 1
435 1 35 HIS HA 1 75 ILE MD . . 5.300 4.308 4.239 4.550 . 0 0 "[ . 1 . 2]" 1
436 1 35 HIS HB2 1 36 TRP HD1 . . 4.500 4.498 3.775 4.583 0.083 4 0 "[ . 1 . 2]" 1
437 1 35 HIS HB2 1 36 TRP HE1 . . 4.900 4.884 4.370 4.984 0.084 9 0 "[ . 1 . 2]" 1
438 1 35 HIS HB2 1 75 ILE QG . . 5.980 5.210 3.868 5.454 . 0 0 "[ . 1 . 2]" 1
439 1 35 HIS HB3 1 36 TRP HD1 . . 5.500 4.656 4.272 4.924 . 0 0 "[ . 1 . 2]" 1
440 1 35 HIS HB3 1 36 TRP HE1 . . 5.500 5.293 4.945 5.581 0.081 3 0 "[ . 1 . 2]" 1
441 1 35 HIS HB3 1 74 ASN QD . . 6.500 4.997 3.745 5.878 . 0 0 "[ . 1 . 2]" 1
442 1 35 HIS HE1 1 36 TRP HZ2 . . 5.500 3.542 2.674 5.549 0.049 19 0 "[ . 1 . 2]" 1
443 1 36 TRP H 1 36 TRP HB2 . . 2.900 2.679 2.552 2.799 . 0 0 "[ . 1 . 2]" 1
444 1 36 TRP H 1 36 TRP HD1 . . 4.400 3.088 2.787 3.450 . 0 0 "[ . 1 . 2]" 1
445 1 36 TRP H 1 75 ILE MD . . 5.900 4.131 3.869 4.643 . 0 0 "[ . 1 . 2]" 1
446 1 36 TRP HA 1 36 TRP HB3 . . 2.700 2.466 2.406 2.509 . 0 0 "[ . 1 . 2]" 1
447 1 36 TRP HA 1 36 TRP HE3 . . 3.800 3.293 2.810 3.639 . 0 0 "[ . 1 . 2]" 1
448 1 36 TRP HA 1 37 MET H . . 2.500 2.143 2.042 2.244 . 0 0 "[ . 1 . 2]" 1
449 1 36 TRP HA 1 74 ASN HA . . 2.700 2.605 2.368 2.770 0.070 16 0 "[ . 1 . 2]" 1
450 1 36 TRP HA 1 75 ILE H . . 3.400 2.562 2.168 2.918 . 0 0 "[ . 1 . 2]" 1
451 1 36 TRP HB2 1 36 TRP HD1 . . 3.700 2.779 2.697 2.854 . 0 0 "[ . 1 . 2]" 1
452 1 36 TRP HB2 1 37 MET H . . 4.200 4.238 4.085 4.289 0.089 15 0 "[ . 1 . 2]" 1
453 1 36 TRP HB3 1 36 TRP HE3 . . 3.300 2.521 2.422 2.618 . 0 0 "[ . 1 . 2]" 1
454 1 36 TRP HB3 1 36 TRP HZ3 . . 5.500 4.967 4.877 5.057 . 0 0 "[ . 1 . 2]" 1
455 1 36 TRP HB3 1 37 MET H . . 3.500 3.366 3.037 3.554 0.054 20 0 "[ . 1 . 2]" 1
456 1 36 TRP HE1 1 74 ASN QD . . 6.500 4.306 2.805 5.775 . 0 0 "[ . 1 . 2]" 1
457 1 36 TRP HE3 1 37 MET H . . 5.500 4.159 3.639 4.763 . 0 0 "[ . 1 . 2]" 1
458 1 36 TRP HE3 1 38 VAL MG1 . . 6.500 5.316 5.251 5.356 . 0 0 "[ . 1 . 2]" 1
459 1 36 TRP HE3 1 72 CYS HA . . 5.500 4.466 4.116 4.668 . 0 0 "[ . 1 . 2]" 1
460 1 36 TRP HE3 1 72 CYS HB2 . . 5.500 4.634 4.148 4.955 . 0 0 "[ . 1 . 2]" 1
461 1 36 TRP HE3 1 72 CYS HB3 . . 4.800 4.817 4.484 4.872 0.072 12 0 "[ . 1 . 2]" 1
462 1 36 TRP HE3 1 73 CYS H . . 5.500 3.506 2.968 3.920 . 0 0 "[ . 1 . 2]" 1
463 1 36 TRP HE3 1 74 ASN HA . . 3.800 3.022 2.696 3.339 . 0 0 "[ . 1 . 2]" 1
464 1 36 TRP HE3 1 74 ASN QB . . 6.500 3.642 3.208 3.906 . 0 0 "[ . 1 . 2]" 1
465 1 36 TRP HH2 1 74 ASN QB . . 6.100 2.998 2.782 3.266 . 0 0 "[ . 1 . 2]" 1
466 1 36 TRP HZ2 1 74 ASN QB . . 6.500 3.937 3.520 4.336 . 0 0 "[ . 1 . 2]" 1
467 1 36 TRP HZ3 1 73 CYS HA . . 4.700 4.505 3.266 4.769 0.069 8 0 "[ . 1 . 2]" 1
468 1 36 TRP HZ3 1 74 ASN HA . . 4.800 3.878 3.502 4.486 . 0 0 "[ . 1 . 2]" 1
469 1 36 TRP HZ3 1 74 ASN QB . . 4.700 2.754 2.415 3.039 . 0 0 "[ . 1 . 2]" 1
470 1 37 MET H 1 37 MET HB2 . . 3.200 2.913 2.738 3.019 . 0 0 "[ . 1 . 2]" 1
471 1 37 MET H 1 37 MET HB3 . . 2.900 2.594 2.402 2.761 . 0 0 "[ . 1 . 2]" 1
472 1 37 MET H 1 37 MET HG2 . . 4.700 4.552 4.337 4.759 0.059 17 0 "[ . 1 . 2]" 1
473 1 37 MET H 1 37 MET HG3 . . 5.500 4.612 4.463 4.771 . 0 0 "[ . 1 . 2]" 1
474 1 37 MET H 1 73 CYS H . . 3.500 3.318 2.868 3.566 0.066 8 0 "[ . 1 . 2]" 1
475 1 37 MET H 1 74 ASN HA . . 4.200 3.841 3.557 4.026 . 0 0 "[ . 1 . 2]" 1
476 1 37 MET H 1 75 ILE H . . 4.500 3.673 3.266 4.124 . 0 0 "[ . 1 . 2]" 1
477 1 37 MET H 1 75 ILE MD . . 6.400 1.922 1.779 2.101 . 0 0 "[ . 1 . 2]" 1
478 1 37 MET H 1 75 ILE MG . . 6.100 5.161 4.975 5.190 . 0 0 "[ . 1 . 2]" 1
479 1 37 MET HA 1 37 MET HB2 . . 2.700 2.459 2.362 2.549 . 0 0 "[ . 1 . 2]" 1
480 1 37 MET HA 1 37 MET HG2 . . 3.900 3.243 2.843 3.789 . 0 0 "[ . 1 . 2]" 1
481 1 37 MET HA 1 37 MET HG3 . . 3.300 2.552 2.305 2.949 . 0 0 "[ . 1 . 2]" 1
482 1 37 MET HA 1 38 VAL H . . 2.500 2.258 2.150 2.341 . 0 0 "[ . 1 . 2]" 1
483 1 37 MET HB2 1 38 VAL H . . 4.300 4.279 4.075 4.376 0.076 1 0 "[ . 1 . 2]" 1
484 1 37 MET HB3 1 38 VAL H . . 4.400 4.133 4.031 4.342 . 0 0 "[ . 1 . 2]" 1
485 1 37 MET HB3 1 73 CYS H . . 5.200 3.899 3.291 4.316 . 0 0 "[ . 1 . 2]" 1
486 1 37 MET HG2 1 38 VAL H . . 4.800 3.316 2.636 4.425 . 0 0 "[ . 1 . 2]" 1
487 1 37 MET HG3 1 38 VAL H . . 4.700 3.014 2.354 3.723 . 0 0 "[ . 1 . 2]" 1
488 1 38 VAL H 1 38 VAL HB . . 3.000 2.907 2.765 3.044 0.044 15 0 "[ . 1 . 2]" 1
489 1 38 VAL H 1 38 VAL MG2 . . 4.600 2.762 2.523 2.931 . 0 0 "[ . 1 . 2]" 1
490 1 38 VAL HA 1 39 THR H . . 2.500 2.184 2.087 2.312 . 0 0 "[ . 1 . 2]" 1
491 1 38 VAL HA 1 72 CYS HA . . 2.600 2.300 2.189 2.407 . 0 0 "[ . 1 . 2]" 1
492 1 38 VAL HA 1 73 CYS H . . 3.700 3.214 2.999 3.576 . 0 0 "[ . 1 . 2]" 1
493 1 38 VAL MG1 1 39 THR H . . 4.700 2.992 2.112 3.629 . 0 0 "[ . 1 . 2]" 1
494 1 38 VAL MG1 1 71 THR H . . 6.500 4.330 3.939 5.239 . 0 0 "[ . 1 . 2]" 1
495 1 38 VAL MG1 1 73 CYS H . . 6.500 4.103 3.889 4.484 . 0 0 "[ . 1 . 2]" 1
496 1 38 VAL MG2 1 39 THR H . . 6.400 4.306 4.090 4.505 . 0 0 "[ . 1 . 2]" 1
497 1 38 VAL MG2 1 72 CYS HA . . 4.300 2.719 2.319 3.332 . 0 0 "[ . 1 . 2]" 1
498 1 38 VAL MG2 1 72 CYS HB2 . . 4.800 3.115 2.671 3.731 . 0 0 "[ . 1 . 2]" 1
499 1 38 VAL MG2 1 73 CYS H . . 6.500 3.216 2.794 3.899 . 0 0 "[ . 1 . 2]" 1
500 1 39 THR H 1 39 THR HB . . 4.100 3.224 2.623 3.716 . 0 0 "[ . 1 . 2]" 1
501 1 39 THR H 1 71 THR H . . 3.400 3.172 2.762 3.475 0.075 5 0 "[ . 1 . 2]" 1
502 1 39 THR H 1 72 CYS HA . . 3.600 3.629 3.422 3.679 0.079 15 0 "[ . 1 . 2]" 1
503 1 39 THR HA 1 39 THR HB . . 2.800 2.471 2.226 2.715 . 0 0 "[ . 1 . 2]" 1
504 1 39 THR HA 1 40 GLY H . . 2.700 2.335 2.034 2.747 0.047 16 0 "[ . 1 . 2]" 1
505 1 39 THR MG 1 40 GLY H . . 5.900 3.805 3.257 4.413 . 0 0 "[ . 1 . 2]" 1
506 1 39 THR MG 1 48 GLY H . . 4.800 3.496 2.317 3.864 . 0 0 "[ . 1 . 2]" 1
507 1 39 THR MG 1 67 CYS H . . 6.500 4.252 3.376 4.802 . 0 0 "[ . 1 . 2]" 1
508 1 39 THR MG 1 67 CYS HB3 . . 4.200 2.479 2.072 3.157 . 0 0 "[ . 1 . 2]" 1
509 1 39 THR MG 1 70 ASN H . . 6.500 3.532 2.283 5.231 . 0 0 "[ . 1 . 2]" 1
510 1 39 THR MG 1 71 THR H . . 6.500 3.268 2.316 5.221 . 0 0 "[ . 1 . 2]" 1
511 1 40 GLY H 1 41 GLY H . . 5.500 4.102 2.033 4.661 . 0 0 "[ . 1 . 2]" 1
512 1 40 GLY QA 1 42 SER H . . 4.220 3.514 2.805 3.878 . 0 0 "[ . 1 . 2]" 1
513 1 40 GLY QA 1 70 ASN H . . 4.780 2.929 1.864 4.198 . 0 0 "[ . 1 . 2]" 1
514 1 40 GLY HA2 1 41 GLY H . . 2.900 2.696 2.180 3.018 0.118 19 0 "[ . 1 . 2]" 1
515 1 40 GLY HA2 1 42 SER H . . 4.600 4.024 2.873 4.678 0.078 9 0 "[ . 1 . 2]" 1
516 1 40 GLY HA3 1 41 GLY H . . 2.900 2.483 2.051 3.007 0.107 13 0 "[ . 1 . 2]" 1
517 1 40 GLY HA3 1 42 SER H . . 4.600 4.068 3.188 4.677 0.077 18 0 "[ . 1 . 2]" 1
518 1 41 GLY H 1 42 SER H . . 3.200 2.557 1.737 3.292 0.092 13 0 "[ . 1 . 2]" 1
519 1 41 GLY H 1 69 ALA MB . . 6.500 4.266 2.392 5.271 . 0 0 "[ . 1 . 2]" 1
520 1 42 SER H 1 42 SER HB2 . . 3.400 2.758 2.094 3.487 0.087 8 0 "[ . 1 . 2]" 1
521 1 42 SER H 1 42 SER QB . . 3.180 2.551 2.073 3.000 . 0 0 "[ . 1 . 2]" 1
522 1 42 SER H 1 42 SER HB3 . . 3.400 3.278 2.644 3.495 0.095 7 0 "[ . 1 . 2]" 1
523 1 42 SER H 1 70 ASN QD . . 5.270 4.000 2.287 4.821 . 0 0 "[ . 1 . 2]" 1
524 1 42 SER HA 1 43 THR H . . 3.500 3.083 2.268 3.567 0.067 9 0 "[ . 1 . 2]" 1
525 1 42 SER QB 1 43 THR H . . 4.280 2.308 1.906 3.946 . 0 0 "[ . 1 . 2]" 1
526 1 42 SER QB 1 44 ASP H . . 4.580 3.685 2.617 4.224 . 0 0 "[ . 1 . 2]" 1
527 1 42 SER QB 1 69 ALA MB . . 6.480 4.516 3.548 4.849 . 0 0 "[ . 1 . 2]" 1
528 1 42 SER QB 1 70 ASN QD . . 7.240 4.678 2.360 5.890 . 0 0 "[ . 1 . 2]" 1
529 1 42 SER HB2 1 43 THR H . . 4.800 3.034 1.952 4.601 . 0 0 "[ . 1 . 2]" 1
530 1 42 SER HB3 1 43 THR H . . 4.800 2.645 1.916 4.294 . 0 0 "[ . 1 . 2]" 1
531 1 43 THR H 1 44 ASP H . . 3.000 2.563 2.001 3.066 0.066 6 0 "[ . 1 . 2]" 1
532 1 43 THR H 1 45 GLY H . . 5.500 4.937 3.174 5.586 0.086 14 0 "[ . 1 . 2]" 1
533 1 43 THR HB 1 44 ASP H . . 4.400 3.547 2.332 4.439 0.039 1 0 "[ . 1 . 2]" 1
534 1 44 ASP H 1 44 ASP HB2 . . 3.400 3.075 2.232 3.497 0.097 15 0 "[ . 1 . 2]" 1
535 1 44 ASP H 1 44 ASP HB3 . . 3.400 3.070 2.528 3.499 0.099 8 0 "[ . 1 . 2]" 1
536 1 44 ASP HA 1 45 GLY H . . 2.800 2.437 2.096 2.879 0.079 7 0 "[ . 1 . 2]" 1
537 1 44 ASP QB 1 46 LYS H . . 5.780 4.405 2.891 5.184 . 0 0 "[ . 1 . 2]" 1
538 1 45 GLY H 1 45 GLY HA2 . . 2.900 2.788 2.235 2.980 0.080 17 0 "[ . 1 . 2]" 1
539 1 45 GLY H 1 45 GLY QA . . 2.610 2.302 2.161 2.506 . 0 0 "[ . 1 . 2]" 1
540 1 45 GLY H 1 45 GLY HA3 . . 2.900 2.555 2.265 2.963 0.063 18 0 "[ . 1 . 2]" 1
541 1 45 GLY H 1 46 LYS H . . 2.500 2.363 1.927 2.589 0.089 6 0 "[ . 1 . 2]" 1
542 1 45 GLY QA 1 69 ALA MB . . 5.380 3.209 2.205 4.063 . 0 0 "[ . 1 . 2]" 1
543 1 45 GLY HA2 1 46 LYS H . . 3.400 3.307 2.282 3.479 0.079 20 0 "[ . 1 . 2]" 1
544 1 45 GLY HA3 1 46 LYS H . . 3.400 3.054 2.313 3.463 0.063 18 0 "[ . 1 . 2]" 1
545 1 46 LYS H 1 46 LYS QB . . 3.700 2.973 2.457 3.448 . 0 0 "[ . 1 . 2]" 1
546 1 46 LYS H 1 46 LYS QD . . 5.980 4.431 3.833 4.871 . 0 0 "[ . 1 . 2]" 1
547 1 46 LYS H 1 46 LYS QE . . 6.380 4.736 3.277 5.676 . 0 0 "[ . 1 . 2]" 1
548 1 46 LYS H 1 46 LYS HG2 . . 3.500 3.053 1.848 3.589 0.089 12 0 "[ . 1 . 2]" 1
549 1 46 LYS H 1 46 LYS QG . . 3.140 2.522 1.825 2.964 . 0 0 "[ . 1 . 2]" 1
550 1 46 LYS H 1 46 LYS HG3 . . 3.500 2.897 2.145 3.570 0.070 11 0 "[ . 1 . 2]" 1
551 1 46 LYS H 1 69 ALA MB . . 5.200 3.216 1.928 4.356 . 0 0 "[ . 1 . 2]" 1
552 1 46 LYS HA 1 46 LYS QD . . 4.980 4.042 3.601 4.502 . 0 0 "[ . 1 . 2]" 1
553 1 46 LYS HA 1 46 LYS QE . . 5.880 4.597 3.308 5.330 . 0 0 "[ . 1 . 2]" 1
554 1 46 LYS HA 1 46 LYS HG2 . . 3.700 2.778 2.150 3.682 . 0 0 "[ . 1 . 2]" 1
555 1 46 LYS HA 1 46 LYS QG . . 3.440 2.612 2.116 3.245 . 0 0 "[ . 1 . 2]" 1
556 1 46 LYS HA 1 46 LYS HG3 . . 3.700 3.340 2.911 3.710 0.010 15 0 "[ . 1 . 2]" 1
557 1 46 LYS HA 1 47 GLN H . . 2.700 2.339 2.090 2.757 0.057 8 0 "[ . 1 . 2]" 1
558 1 46 LYS QB 1 47 GLN H . . 3.900 2.877 2.038 3.652 . 0 0 "[ . 1 . 2]" 1
559 1 46 LYS QD 1 47 GLN H . . 6.380 4.913 3.762 5.784 . 0 0 "[ . 1 . 2]" 1
560 1 46 LYS QG 1 47 GLN H . . 5.090 3.996 3.118 4.495 . 0 0 "[ . 1 . 2]" 1
561 1 46 LYS HG2 1 47 GLN H . . 5.500 4.470 3.568 5.307 . 0 0 "[ . 1 . 2]" 1
562 1 46 LYS HG3 1 47 GLN H . . 5.500 4.735 3.190 5.348 . 0 0 "[ . 1 . 2]" 1
563 1 47 GLN H 1 47 GLN HB2 . . 4.100 3.592 3.511 3.717 . 0 0 "[ . 1 . 2]" 1
564 1 47 GLN H 1 47 GLN HB3 . . 2.600 2.470 2.307 2.647 0.047 4 0 "[ . 1 . 2]" 1
565 1 47 GLN H 1 47 GLN HG2 . . 2.800 2.368 1.985 2.874 0.074 15 0 "[ . 1 . 2]" 1
566 1 47 GLN H 1 47 GLN HG3 . . 3.800 3.549 3.116 3.830 0.030 17 0 "[ . 1 . 2]" 1
567 1 47 GLN H 1 68 PRO HA . . 3.900 3.904 3.488 3.984 0.084 6 0 "[ . 1 . 2]" 1
568 1 47 GLN H 1 69 ALA MB . . 5.700 4.114 3.216 4.666 . 0 0 "[ . 1 . 2]" 1
569 1 47 GLN HA 1 47 GLN HB2 . . 2.700 2.444 2.254 2.539 . 0 0 "[ . 1 . 2]" 1
570 1 47 GLN HA 1 47 GLN HB3 . . 2.700 2.488 2.435 2.611 . 0 0 "[ . 1 . 2]" 1
571 1 47 GLN HA 1 48 GLY H . . 2.500 2.298 2.191 2.486 . 0 0 "[ . 1 . 2]" 1
572 1 47 GLN HA 1 68 PRO HA . . 2.700 2.230 2.063 2.509 . 0 0 "[ . 1 . 2]" 1
573 1 47 GLN HA 1 69 ALA H . . 3.100 2.809 2.129 3.155 0.055 12 0 "[ . 1 . 2]" 1
574 1 47 GLN HB2 1 48 GLY H . . 2.900 2.720 2.314 2.962 0.062 18 0 "[ . 1 . 2]" 1
575 1 47 GLN HG3 1 48 GLY H . . 5.500 3.967 3.235 4.875 . 0 0 "[ . 1 . 2]" 1
576 1 48 GLY H 1 48 GLY HA3 . . 2.800 2.546 2.363 2.811 0.011 4 0 "[ . 1 . 2]" 1
577 1 48 GLY H 1 67 CYS H . . 3.400 3.257 2.941 3.463 0.063 17 0 "[ . 1 . 2]" 1
578 1 48 GLY H 1 68 PRO HA . . 3.600 3.590 3.332 3.680 0.080 4 0 "[ . 1 . 2]" 1
579 1 48 GLY HA2 1 49 CYS H . . 2.800 2.380 2.217 2.664 . 0 0 "[ . 1 . 2]" 1
580 1 48 GLY HA3 1 49 CYS H . . 3.100 3.051 2.616 3.177 0.077 3 0 "[ . 1 . 2]" 1
581 1 49 CYS CB 1 66 CYS SG . 3.000 3.100 3.097 3.043 3.149 0.049 10 0 "[ . 1 . 2]" 1
582 1 49 CYS H 1 49 CYS HB2 . . 3.400 2.688 2.514 2.831 . 0 0 "[ . 1 . 2]" 1
583 1 49 CYS H 1 49 CYS HB3 . . 3.700 3.779 3.745 3.790 0.090 17 0 "[ . 1 . 2]" 1
584 1 49 CYS H 1 86 ARG HE . . 5.500 3.777 2.173 5.571 0.071 6 0 "[ . 1 . 2]" 1
585 1 49 CYS H 1 87 VAL H . . 3.700 3.752 3.646 3.803 0.103 13 0 "[ . 1 . 2]" 1
586 1 49 CYS H 1 88 GLU H . . 3.200 2.722 2.383 3.153 . 0 0 "[ . 1 . 2]" 1
587 1 49 CYS H 1 88 GLU HA . . 5.300 4.363 2.094 5.297 . 0 0 "[ . 1 . 2]" 1
588 1 49 CYS H 1 88 GLU QB . . 4.580 3.868 3.085 4.220 . 0 0 "[ . 1 . 2]" 1
589 1 49 CYS HA 1 49 CYS HB3 . . 2.700 2.456 2.307 2.572 . 0 0 "[ . 1 . 2]" 1
590 1 49 CYS HA 1 50 ALA H . . 2.500 2.212 2.104 2.373 . 0 0 "[ . 1 . 2]" 1
591 1 49 CYS HA 1 50 ALA MB . . 6.500 3.792 3.634 3.971 . 0 0 "[ . 1 . 2]" 1
592 1 49 CYS HA 1 66 CYS HA . . 2.600 2.076 1.982 2.219 . 0 0 "[ . 1 . 2]" 1
593 1 49 CYS HA 1 66 CYS HB3 . . 5.400 4.209 3.793 4.503 . 0 0 "[ . 1 . 2]" 1
594 1 49 CYS HA 1 67 CYS H . . 3.200 3.186 2.921 3.283 0.083 4 0 "[ . 1 . 2]" 1
595 1 49 CYS HB2 1 50 ALA H . . 3.600 3.628 3.320 3.688 0.088 15 0 "[ . 1 . 2]" 1
596 1 49 CYS HB2 1 66 CYS HA . . 5.500 4.154 3.809 4.563 . 0 0 "[ . 1 . 2]" 1
597 1 49 CYS HB2 1 88 GLU H . . 5.500 3.232 2.301 4.037 . 0 0 "[ . 1 . 2]" 1
598 1 49 CYS HB3 1 50 ALA H . . 3.000 2.569 2.342 2.745 . 0 0 "[ . 1 . 2]" 1
599 1 49 CYS HB3 1 66 CYS HA . . 4.300 3.049 2.478 3.643 . 0 0 "[ . 1 . 2]" 1
600 1 49 CYS HB3 1 88 GLU H . . 5.300 4.659 3.778 5.363 0.063 10 0 "[ . 1 . 2]" 1
601 1 49 CYS SG 1 66 CYS CB . 3.000 3.100 3.058 2.974 3.124 0.026 1 0 "[ . 1 . 2]" 1
602 1 49 CYS SG 1 66 CYS SG . . 2.100 2.087 2.079 2.093 . 0 0 "[ . 1 . 2]" 1
603 1 50 ALA H 1 65 MET H . . 3.400 3.248 3.094 3.457 0.057 5 0 "[ . 1 . 2]" 1
604 1 50 ALA H 1 66 CYS HA . . 3.300 3.363 3.271 3.385 0.085 11 0 "[ . 1 . 2]" 1
605 1 50 ALA HA 1 51 THR H . . 2.500 2.179 2.087 2.297 . 0 0 "[ . 1 . 2]" 1
606 1 50 ALA HA 1 86 ARG HA . . 2.700 2.138 1.959 2.315 . 0 0 "[ . 1 . 2]" 1
607 1 50 ALA HA 1 87 VAL H . . 2.900 2.466 2.095 2.958 0.058 12 0 "[ . 1 . 2]" 1
608 1 50 ALA HA 1 87 VAL MG1 . . 6.000 3.119 2.593 3.949 . 0 0 "[ . 1 . 2]" 1
609 1 50 ALA HA 1 87 VAL MG2 . . 4.700 2.682 2.233 3.858 . 0 0 "[ . 1 . 2]" 1
610 1 50 ALA HA 1 88 GLU H . . 4.500 4.216 3.805 4.551 0.051 12 0 "[ . 1 . 2]" 1
611 1 50 ALA MB 1 51 THR H . . 4.000 2.787 2.436 3.119 . 0 0 "[ . 1 . 2]" 1
612 1 50 ALA MB 1 65 MET H . . 6.500 3.790 3.534 4.005 . 0 0 "[ . 1 . 2]" 1
613 1 50 ALA MB 1 84 TYR HA . . 6.500 4.315 3.849 4.764 . 0 0 "[ . 1 . 2]" 1
614 1 50 ALA MB 1 84 TYR HB2 . . 6.100 2.620 2.332 2.921 . 0 0 "[ . 1 . 2]" 1
615 1 50 ALA MB 1 84 TYR HB3 . . 5.200 3.976 3.613 4.240 . 0 0 "[ . 1 . 2]" 1
616 1 50 ALA MB 1 84 TYR QD . . 6.000 2.366 2.064 3.867 . 0 0 "[ . 1 . 2]" 1
617 1 50 ALA MB 1 84 TYR QE . . 8.500 3.692 3.131 5.299 . 0 0 "[ . 1 . 2]" 1
618 1 50 ALA MB 1 86 ARG HA . . 5.300 2.408 2.198 3.085 . 0 0 "[ . 1 . 2]" 1
619 1 50 ALA MB 1 87 VAL H . . 6.500 3.754 3.542 4.398 . 0 0 "[ . 1 . 2]" 1
620 1 51 THR H 1 51 THR HB . . 2.800 2.560 2.438 2.642 . 0 0 "[ . 1 . 2]" 1
621 1 51 THR H 1 86 ARG HA . . 3.600 3.626 3.328 3.690 0.090 4 0 "[ . 1 . 2]" 1
622 1 51 THR H 1 87 VAL MG1 . . 4.700 2.723 2.076 3.956 . 0 0 "[ . 1 . 2]" 1
623 1 51 THR H 1 87 VAL MG2 . . 5.300 3.224 2.353 3.951 . 0 0 "[ . 1 . 2]" 1
624 1 51 THR HA 1 52 ILE H . . 2.500 2.159 2.030 2.357 . 0 0 "[ . 1 . 2]" 1
625 1 51 THR HA 1 64 THR HA . . 2.700 2.190 2.007 2.514 . 0 0 "[ . 1 . 2]" 1
626 1 51 THR HA 1 65 MET H . . 3.200 3.226 3.006 3.286 0.086 20 0 "[ . 1 . 2]" 1
627 1 51 THR HB 1 52 ILE H . . 5.000 4.243 3.847 4.372 . 0 0 "[ . 1 . 2]" 1
628 1 51 THR HB 1 53 TRP HE3 . . 5.500 4.317 3.952 4.908 . 0 0 "[ . 1 . 2]" 1
629 1 51 THR HB 1 53 TRP HH2 . . 3.400 2.811 2.501 3.076 . 0 0 "[ . 1 . 2]" 1
630 1 51 THR MG 1 52 ILE H . . 4.500 2.872 2.423 3.166 . 0 0 "[ . 1 . 2]" 1
631 1 51 THR MG 1 52 ILE HB . . 6.500 4.792 4.471 5.036 . 0 0 "[ . 1 . 2]" 1
632 1 51 THR MG 1 53 TRP HA . . 6.500 4.418 4.003 4.968 . 0 0 "[ . 1 . 2]" 1
633 1 51 THR MG 1 53 TRP HD1 . . 6.500 4.924 4.391 5.382 . 0 0 "[ . 1 . 2]" 1
634 1 51 THR MG 1 53 TRP HE1 . . 6.500 4.091 3.504 4.575 . 0 0 "[ . 1 . 2]" 1
635 1 51 THR MG 1 53 TRP HE3 . . 6.500 3.575 3.158 4.289 . 0 0 "[ . 1 . 2]" 1
636 1 51 THR MG 1 53 TRP HH2 . . 5.300 3.081 2.720 3.465 . 0 0 "[ . 1 . 2]" 1
637 1 51 THR MG 1 53 TRP HZ2 . . 4.700 3.065 2.605 3.416 . 0 0 "[ . 1 . 2]" 1
638 1 51 THR MG 1 53 TRP HZ3 . . 6.000 3.397 2.924 4.120 . 0 0 "[ . 1 . 2]" 1
639 1 51 THR MG 1 62 SER HA . . 6.500 4.228 3.865 4.740 . 0 0 "[ . 1 . 2]" 1
640 1 51 THR MG 1 62 SER HB2 . . 4.100 2.380 2.077 2.910 . 0 0 "[ . 1 . 2]" 1
641 1 51 THR MG 1 62 SER HB3 . . 5.400 3.103 2.578 3.834 . 0 0 "[ . 1 . 2]" 1
642 1 51 THR MG 1 63 THR H . . 5.600 3.308 2.756 3.846 . 0 0 "[ . 1 . 2]" 1
643 1 51 THR MG 1 64 THR HA . . 6.500 3.495 3.230 3.814 . 0 0 "[ . 1 . 2]" 1
644 1 51 THR MG 1 65 MET H . . 6.500 4.897 4.664 5.074 . 0 0 "[ . 1 . 2]" 1
645 1 52 ILE H 1 52 ILE HB . . 2.700 2.549 2.333 2.759 0.059 14 0 "[ . 1 . 2]" 1
646 1 52 ILE H 1 63 THR H . . 3.300 2.867 2.652 3.081 . 0 0 "[ . 1 . 2]" 1
647 1 52 ILE H 1 64 THR HA . . 3.700 3.281 2.761 3.623 . 0 0 "[ . 1 . 2]" 1
648 1 52 ILE HA 1 52 ILE HB . . 3.000 3.043 3.019 3.064 0.064 7 0 "[ . 1 . 2]" 1
649 1 52 ILE HA 1 52 ILE MG . . 3.600 2.392 2.266 2.574 . 0 0 "[ . 1 . 2]" 1
650 1 52 ILE HA 1 53 TRP H . . 2.500 2.357 2.261 2.453 . 0 0 "[ . 1 . 2]" 1
651 1 52 ILE HA 1 53 TRP HE3 . . 4.300 3.129 2.744 3.367 . 0 0 "[ . 1 . 2]" 1
652 1 52 ILE HA 1 84 TYR HA . . 2.700 2.206 2.079 2.301 . 0 0 "[ . 1 . 2]" 1
653 1 52 ILE HA 1 85 ARG H . . 3.500 3.575 3.550 3.589 0.089 7 0 "[ . 1 . 2]" 1
654 1 52 ILE HB 1 53 TRP H . . 4.100 3.891 3.657 4.154 0.054 16 0 "[ . 1 . 2]" 1
655 1 52 ILE HB 1 62 SER HA . . 5.500 4.760 4.346 5.006 . 0 0 "[ . 1 . 2]" 1
656 1 52 ILE HB 1 65 MET H . . 5.500 4.557 4.204 5.157 . 0 0 "[ . 1 . 2]" 1
657 1 52 ILE HB 1 84 TYR HA . . 5.500 5.234 5.075 5.306 . 0 0 "[ . 1 . 2]" 1
658 1 52 ILE MD 1 65 MET H . . 6.500 3.764 3.227 4.237 . 0 0 "[ . 1 . 2]" 1
659 1 52 ILE MD 1 84 TYR HA . . 6.500 4.754 3.110 5.481 . 0 0 "[ . 1 . 2]" 1
660 1 52 ILE MD 1 84 TYR HB2 . . 6.500 3.503 2.078 4.183 . 0 0 "[ . 1 . 2]" 1
661 1 52 ILE MD 1 84 TYR HB3 . . 6.500 3.366 2.186 4.026 . 0 0 "[ . 1 . 2]" 1
662 1 52 ILE QG 1 53 TRP H . . 6.500 4.370 3.957 4.842 . 0 0 "[ . 1 . 2]" 1
663 1 52 ILE QG 1 53 TRP HE3 . . 6.500 5.288 4.769 5.812 . 0 0 "[ . 1 . 2]" 1
664 1 52 ILE QG 1 84 TYR HA . . 6.500 4.087 3.459 5.152 . 0 0 "[ . 1 . 2]" 1
665 1 52 ILE QG 1 84 TYR HB2 . . 4.700 2.855 2.098 4.299 . 0 0 "[ . 1 . 2]" 1
666 1 52 ILE QG 1 84 TYR HB3 . . 5.100 3.075 2.289 4.644 . 0 0 "[ . 1 . 2]" 1
667 1 52 ILE MG 1 53 TRP H . . 4.700 2.299 2.138 2.594 . 0 0 "[ . 1 . 2]" 1
668 1 52 ILE MG 1 53 TRP HE3 . . 6.500 4.582 4.120 4.923 . 0 0 "[ . 1 . 2]" 1
669 1 52 ILE MG 1 62 SER HA . . 6.500 4.722 4.215 5.066 . 0 0 "[ . 1 . 2]" 1
670 1 52 ILE MG 1 65 MET H . . 6.500 5.473 5.361 5.519 . 0 0 "[ . 1 . 2]" 1
671 1 52 ILE MG 1 84 TYR HA . . 6.500 3.691 3.314 4.014 . 0 0 "[ . 1 . 2]" 1
672 1 52 ILE MG 1 84 TYR HB2 . . 6.400 3.527 3.145 4.056 . 0 0 "[ . 1 . 2]" 1
673 1 52 ILE MG 1 84 TYR HB3 . . 6.500 2.527 2.157 3.213 . 0 0 "[ . 1 . 2]" 1
674 1 53 TRP H 1 53 TRP QB . . 3.700 2.477 2.328 2.656 . 0 0 "[ . 1 . 2]" 1
675 1 53 TRP H 1 53 TRP HE3 . . 3.200 3.103 2.742 3.258 0.058 17 0 "[ . 1 . 2]" 1
676 1 53 TRP H 1 53 TRP HZ3 . . 5.500 5.356 4.920 5.545 0.045 18 0 "[ . 1 . 2]" 1
677 1 53 TRP H 1 54 GLU H . . 4.900 4.431 4.378 4.471 . 0 0 "[ . 1 . 2]" 1
678 1 53 TRP H 1 81 ILE HB . . 5.500 4.861 3.519 5.568 0.068 7 0 "[ . 1 . 2]" 1
679 1 53 TRP H 1 82 ARG H . . 4.900 4.103 3.513 4.956 0.056 18 0 "[ . 1 . 2]" 1
680 1 53 TRP H 1 83 SER H . . 3.500 3.108 2.535 3.561 0.061 20 0 "[ . 1 . 2]" 1
681 1 53 TRP H 1 83 SER HG . . 5.500 4.797 4.277 5.581 0.081 11 0 "[ . 1 . 2]" 1
682 1 53 TRP H 1 84 TYR HA . . 3.400 3.150 2.857 3.442 0.042 19 0 "[ . 1 . 2]" 1
683 1 53 TRP H 1 84 TYR HB2 . . 5.500 4.583 4.215 5.099 . 0 0 "[ . 1 . 2]" 1
684 1 53 TRP H 1 84 TYR HB3 . . 5.500 3.855 3.455 4.493 . 0 0 "[ . 1 . 2]" 1
685 1 53 TRP HA 1 53 TRP HD1 . . 4.700 3.256 3.009 3.491 . 0 0 "[ . 1 . 2]" 1
686 1 53 TRP HA 1 53 TRP HE3 . . 5.500 4.283 4.138 4.474 . 0 0 "[ . 1 . 2]" 1
687 1 53 TRP HA 1 54 GLU H . . 2.500 2.230 2.158 2.334 . 0 0 "[ . 1 . 2]" 1
688 1 53 TRP HA 1 54 GLU HB2 . . 4.700 4.332 3.889 4.749 0.049 14 0 "[ . 1 . 2]" 1
689 1 53 TRP HA 1 54 GLU HB3 . . 4.600 4.450 4.107 4.677 0.077 13 0 "[ . 1 . 2]" 1
690 1 53 TRP HA 1 62 SER HA . . 2.600 2.237 2.080 2.411 . 0 0 "[ . 1 . 2]" 1
691 1 53 TRP HA 1 62 SER HB2 . . 4.500 3.773 3.305 4.140 . 0 0 "[ . 1 . 2]" 1
692 1 53 TRP HA 1 62 SER HB3 . . 4.300 2.597 2.208 3.136 . 0 0 "[ . 1 . 2]" 1
693 1 53 TRP HA 1 63 THR H . . 3.700 3.738 3.384 3.783 0.083 15 0 "[ . 1 . 2]" 1
694 1 53 TRP HA 1 79 PHE QD . . 7.400 5.290 4.203 5.864 . 0 0 "[ . 1 . 2]" 1
695 1 53 TRP HA 1 79 PHE QE . . 7.500 3.640 3.073 4.226 . 0 0 "[ . 1 . 2]" 1
696 1 53 TRP QB 1 54 GLU H . . 4.500 2.644 2.438 2.975 . 0 0 "[ . 1 . 2]" 1
697 1 53 TRP QB 1 55 GLY H . . 4.100 2.532 2.148 2.742 . 0 0 "[ . 1 . 2]" 1
698 1 53 TRP QB 1 59 VAL H . . 5.700 3.027 2.784 3.198 . 0 0 "[ . 1 . 2]" 1
699 1 53 TRP QB 1 83 SER H . . 6.500 3.356 2.982 3.675 . 0 0 "[ . 1 . 2]" 1
700 1 53 TRP HD1 1 54 GLU H . . 5.500 3.495 3.153 3.921 . 0 0 "[ . 1 . 2]" 1
701 1 53 TRP HD1 1 55 GLY H . . 4.800 3.771 3.430 4.357 . 0 0 "[ . 1 . 2]" 1
702 1 53 TRP HD1 1 58 CYS HA . . 4.400 4.155 3.700 4.440 0.040 13 0 "[ . 1 . 2]" 1
703 1 53 TRP HD1 1 58 CYS HB2 . . 5.500 5.033 4.221 5.420 . 0 0 "[ . 1 . 2]" 1
704 1 53 TRP HD1 1 59 VAL H . . 5.400 3.966 3.674 4.186 . 0 0 "[ . 1 . 2]" 1
705 1 53 TRP HD1 1 59 VAL HA . . 3.600 3.401 2.886 3.665 0.065 2 0 "[ . 1 . 2]" 1
706 1 53 TRP HD1 1 59 VAL HB . . 5.500 5.274 4.984 5.497 . 0 0 "[ . 1 . 2]" 1
707 1 53 TRP HD1 1 60 GLY H . . 4.100 3.958 3.670 4.176 0.076 8 0 "[ . 1 . 2]" 1
708 1 53 TRP HD1 1 60 GLY HA2 . . 5.500 4.768 4.355 5.181 . 0 0 "[ . 1 . 2]" 1
709 1 53 TRP HD1 1 60 GLY HA3 . . 5.500 4.129 3.736 4.590 . 0 0 "[ . 1 . 2]" 1
710 1 53 TRP HD1 1 61 ARG HA . . 5.500 4.545 4.293 5.253 . 0 0 "[ . 1 . 2]" 1
711 1 53 TRP HD1 1 62 SER HA . . 5.500 4.165 3.773 4.369 . 0 0 "[ . 1 . 2]" 1
712 1 53 TRP HD1 1 62 SER HB2 . . 4.400 4.429 4.041 4.488 0.088 8 0 "[ . 1 . 2]" 1
713 1 53 TRP HD1 1 62 SER HB3 . . 3.400 2.819 2.422 3.180 . 0 0 "[ . 1 . 2]" 1
714 1 53 TRP HE1 1 58 CYS HA . . 5.500 5.118 4.203 5.559 0.059 11 0 "[ . 1 . 2]" 1
715 1 53 TRP HE1 1 58 CYS HB2 . . 5.500 4.753 3.964 5.441 . 0 0 "[ . 1 . 2]" 1
716 1 53 TRP HE1 1 59 VAL H . . 5.500 5.417 5.103 5.577 0.077 18 0 "[ . 1 . 2]" 1
717 1 53 TRP HE1 1 59 VAL HA . . 4.500 3.751 3.309 4.094 . 0 0 "[ . 1 . 2]" 1
718 1 53 TRP HE1 1 60 GLY H . . 5.500 4.881 3.950 5.549 0.049 3 0 "[ . 1 . 2]" 1
719 1 53 TRP HE1 1 62 SER HA . . 5.500 5.392 5.037 5.564 0.064 18 0 "[ . 1 . 2]" 1
720 1 53 TRP HE1 1 62 SER HB2 . . 5.500 4.239 3.761 4.443 . 0 0 "[ . 1 . 2]" 1
721 1 53 TRP HE1 1 62 SER HB3 . . 4.800 3.273 2.834 3.574 . 0 0 "[ . 1 . 2]" 1
722 1 53 TRP HE3 1 58 CYS HB2 . . 5.500 3.361 2.781 4.566 . 0 0 "[ . 1 . 2]" 1
723 1 53 TRP HE3 1 84 TYR HA . . 2.600 2.274 2.143 2.437 . 0 0 "[ . 1 . 2]" 1
724 1 53 TRP HE3 1 84 TYR HB2 . . 5.500 4.414 4.062 4.654 . 0 0 "[ . 1 . 2]" 1
725 1 53 TRP HE3 1 84 TYR HB3 . . 4.700 4.659 4.487 4.767 0.067 14 0 "[ . 1 . 2]" 1
726 1 53 TRP HE3 1 85 ARG H . . 4.900 3.512 2.856 3.912 . 0 0 "[ . 1 . 2]" 1
727 1 53 TRP HE3 1 85 ARG QB . . 6.380 4.016 3.585 4.628 . 0 0 "[ . 1 . 2]" 1
728 1 53 TRP HH2 1 58 CYS HB2 . . 5.500 4.394 3.732 5.160 . 0 0 "[ . 1 . 2]" 1
729 1 53 TRP HH2 1 85 ARG QB . . 4.580 3.113 2.310 4.088 . 0 0 "[ . 1 . 2]" 1
730 1 53 TRP HZ2 1 58 CYS HB2 . . 5.500 4.424 3.600 5.238 . 0 0 "[ . 1 . 2]" 1
731 1 53 TRP HZ3 1 58 CYS HB2 . . 5.500 3.904 3.281 4.763 . 0 0 "[ . 1 . 2]" 1
732 1 53 TRP HZ3 1 84 TYR HA . . 3.500 3.283 2.750 3.576 0.076 16 0 "[ . 1 . 2]" 1
733 1 53 TRP HZ3 1 85 ARG H . . 3.400 2.594 2.147 3.078 . 0 0 "[ . 1 . 2]" 1
734 1 53 TRP HZ3 1 85 ARG HB2 . . 3.400 2.574 1.925 3.458 0.058 18 0 "[ . 1 . 2]" 1
735 1 53 TRP HZ3 1 85 ARG QB . . 3.130 2.142 1.917 2.871 . 0 0 "[ . 1 . 2]" 1
736 1 53 TRP HZ3 1 85 ARG HB3 . . 3.400 2.654 2.086 3.499 0.099 2 0 "[ . 1 . 2]" 1
737 1 53 TRP HZ3 1 85 ARG QG . . 6.380 4.081 3.006 4.882 . 0 0 "[ . 1 . 2]" 1
738 1 54 GLU H 1 54 GLU HB2 . . 3.900 2.520 2.175 2.773 . 0 0 "[ . 1 . 2]" 1
739 1 54 GLU H 1 54 GLU HB3 . . 3.200 2.274 1.985 2.512 . 0 0 "[ . 1 . 2]" 1
740 1 54 GLU H 1 54 GLU HG2 . . 5.500 4.371 3.993 4.527 . 0 0 "[ . 1 . 2]" 1
741 1 54 GLU H 1 54 GLU HG3 . . 5.500 4.421 4.148 4.560 . 0 0 "[ . 1 . 2]" 1
742 1 54 GLU H 1 55 GLY H . . 3.300 2.464 2.203 2.966 . 0 0 "[ . 1 . 2]" 1
743 1 54 GLU H 1 61 ARG H . . 3.300 3.385 3.378 3.392 0.092 6 0 "[ . 1 . 2]" 1
744 1 54 GLU H 1 61 ARG QB . . 6.500 3.814 3.285 4.261 . 0 0 "[ . 1 . 2]" 1
745 1 54 GLU H 1 62 SER HA . . 3.500 3.412 3.223 3.542 0.042 13 0 "[ . 1 . 2]" 1
746 1 54 GLU H 1 62 SER HB2 . . 5.500 5.499 5.104 5.576 0.076 6 0 "[ . 1 . 2]" 1
747 1 54 GLU H 1 79 PHE QD . . 7.000 4.365 3.447 4.989 . 0 0 "[ . 1 . 2]" 1
748 1 54 GLU HA 1 54 GLU HG2 . . 4.000 3.203 2.411 4.068 0.068 1 0 "[ . 1 . 2]" 1
749 1 54 GLU HA 1 54 GLU QG . . 3.610 2.637 2.187 3.274 . 0 0 "[ . 1 . 2]" 1
750 1 54 GLU HA 1 54 GLU HG3 . . 4.000 2.973 2.288 3.768 . 0 0 "[ . 1 . 2]" 1
751 1 54 GLU HA 1 79 PHE QD . . 5.500 2.960 2.335 4.194 . 0 0 "[ . 1 . 2]" 1
752 1 54 GLU HA 1 82 ARG H . . 3.300 3.101 2.786 3.358 0.058 20 0 "[ . 1 . 2]" 1
753 1 54 GLU HA 1 83 SER H . . 4.300 4.346 4.175 4.387 0.087 1 0 "[ . 1 . 2]" 1
754 1 54 GLU HB2 1 54 GLU QG . . 2.700 2.336 2.140 2.443 . 0 0 "[ . 1 . 2]" 1
755 1 54 GLU HB2 1 55 GLY H . . 3.900 3.918 3.690 3.978 0.078 2 0 "[ . 1 . 2]" 1
756 1 54 GLU HB2 1 79 PHE QD . . 5.800 2.792 2.371 3.296 . 0 0 "[ . 1 . 2]" 1
757 1 54 GLU HB3 1 55 GLY H . . 3.300 2.639 2.173 2.933 . 0 0 "[ . 1 . 2]" 1
758 1 54 GLU HB3 1 61 ARG H . . 3.800 2.208 1.946 2.556 . 0 0 "[ . 1 . 2]" 1
759 1 54 GLU HB3 1 79 PHE QD . . 7.200 4.314 3.834 4.852 . 0 0 "[ . 1 . 2]" 1
760 1 54 GLU QG 1 55 GLY H . . 6.380 3.770 2.914 4.596 . 0 0 "[ . 1 . 2]" 1
761 1 54 GLU QG 1 61 ARG H . . 6.380 3.729 2.402 4.466 . 0 0 "[ . 1 . 2]" 1
762 1 54 GLU QG 1 79 PHE QD . . 6.870 3.270 2.285 4.929 . 0 0 "[ . 1 . 2]" 1
763 1 54 GLU QG 1 80 TYR H . . 5.880 4.014 2.885 5.332 . 0 0 "[ . 1 . 2]" 1
764 1 54 GLU HG2 1 79 PHE QD . . 7.500 4.345 2.351 5.463 . 0 0 "[ . 1 . 2]" 1
765 1 54 GLU HG3 1 79 PHE QD . . 7.500 3.532 2.424 5.804 . 0 0 "[ . 1 . 2]" 1
766 1 55 GLY H 1 55 GLY HA2 . . 2.900 2.867 2.783 2.940 0.040 16 0 "[ . 1 . 2]" 1
767 1 55 GLY H 1 55 GLY QA . . 2.660 2.257 2.163 2.528 . 0 0 "[ . 1 . 2]" 1
768 1 55 GLY H 1 55 GLY HA3 . . 2.900 2.368 2.249 2.800 . 0 0 "[ . 1 . 2]" 1
769 1 55 GLY H 1 59 VAL H . . 3.800 3.439 2.814 3.784 . 0 0 "[ . 1 . 2]" 1
770 1 55 GLY QA 1 56 SER H . . 2.720 2.136 2.004 2.287 . 0 0 "[ . 1 . 2]" 1
771 1 55 GLY HA2 1 56 SER H . . 3.000 2.214 2.030 2.407 . 0 0 "[ . 1 . 2]" 1
772 1 55 GLY HA2 1 59 VAL H . . 4.300 4.372 4.348 4.390 0.090 9 0 "[ . 1 . 2]" 1
773 1 55 GLY HA3 1 56 SER H . . 3.000 2.929 2.272 3.084 0.084 4 0 "[ . 1 . 2]" 1
774 1 55 GLY HA3 1 59 VAL H . . 4.300 2.976 2.637 4.392 0.092 11 0 "[ . 1 . 2]" 1
775 1 56 SER H 1 56 SER QB . . 3.800 2.562 2.107 3.003 . 0 0 "[ . 1 . 2]" 1
776 1 56 SER H 1 57 GLY H . . 4.300 4.079 3.517 4.393 0.093 20 0 "[ . 1 . 2]" 1
777 1 56 SER H 1 82 ARG QB . . 6.500 3.601 2.819 4.235 . 0 0 "[ . 1 . 2]" 1
778 1 56 SER H 1 82 ARG QD . . 6.380 3.306 2.133 4.887 . 0 0 "[ . 1 . 2]" 1
779 1 56 SER HA 1 57 GLY H . . 2.600 2.321 2.035 2.630 0.030 12 0 "[ . 1 . 2]" 1
780 1 56 SER HA 1 82 ARG QB . . 5.800 2.619 2.021 4.792 . 0 0 "[ . 1 . 2]" 1
781 1 56 SER HA 1 82 ARG QG . . 4.480 3.418 2.241 4.135 . 0 0 "[ . 1 . 2]" 1
782 1 56 SER HA 1 83 SER HG . . 3.100 2.985 2.282 3.185 0.085 11 0 "[ . 1 . 2]" 1
783 1 56 SER QB 1 57 GLY H . . 4.300 3.659 2.679 3.957 . 0 0 "[ . 1 . 2]" 1
784 1 57 GLY H 1 57 GLY HA2 . . 2.800 2.492 2.289 2.776 . 0 0 "[ . 1 . 2]" 1
785 1 57 GLY H 1 57 GLY HA3 . . 2.800 2.882 2.858 2.897 0.097 19 0 "[ . 1 . 2]" 1
786 1 57 GLY H 1 58 CYS H . . 3.300 2.419 1.796 3.363 0.063 16 0 "[ . 1 . 2]" 1
787 1 57 GLY H 1 59 VAL H . . 5.300 4.166 3.078 4.977 . 0 0 "[ . 1 . 2]" 1
788 1 57 GLY H 1 59 VAL QG . . 7.900 4.025 2.800 4.633 . 0 0 "[ . 1 . 2]" 1
789 1 57 GLY H 1 83 SER HA . . 5.300 4.764 3.946 5.371 0.071 5 0 "[ . 1 . 2]" 1
790 1 57 GLY H 1 83 SER HB3 . . 4.600 3.357 2.119 4.129 . 0 0 "[ . 1 . 2]" 1
791 1 58 CYS H 1 58 CYS HA . . 2.600 2.346 2.188 2.673 0.073 16 0 "[ . 1 . 2]" 1
792 1 58 CYS H 1 58 CYS HB2 . . 4.100 4.023 3.914 4.167 0.067 13 0 "[ . 1 . 2]" 1
793 1 58 CYS H 1 58 CYS HB3 . . 3.700 3.262 2.927 3.777 0.077 14 0 "[ . 1 . 2]" 1
794 1 58 CYS H 1 59 VAL H . . 3.000 2.748 1.961 3.072 0.072 12 0 "[ . 1 . 2]" 1
795 1 58 CYS H 1 83 SER HG . . 3.200 2.579 2.053 3.273 0.073 13 0 "[ . 1 . 2]" 1
796 1 58 CYS HA 1 58 CYS HB2 . . 2.800 2.443 2.310 2.727 . 0 0 "[ . 1 . 2]" 1
797 1 58 CYS HA 1 58 CYS HB3 . . 2.800 2.405 2.196 2.502 . 0 0 "[ . 1 . 2]" 1
798 1 58 CYS HA 1 59 VAL H . . 2.900 2.628 2.328 2.828 . 0 0 "[ . 1 . 2]" 1
799 1 58 CYS HB2 1 59 VAL H . . 4.500 4.424 4.281 4.509 0.009 12 0 "[ . 1 . 2]" 1
800 1 58 CYS HB3 1 59 VAL H . . 5.000 4.700 4.470 4.822 . 0 0 "[ . 1 . 2]" 1
801 1 59 VAL H 1 59 VAL HB . . 3.600 3.685 3.675 3.693 0.093 12 0 "[ . 1 . 2]" 1
802 1 59 VAL H 1 83 SER HG . . 5.200 3.981 2.953 4.752 . 0 0 "[ . 1 . 2]" 1
803 1 59 VAL HA 1 59 VAL HB . . 2.600 2.487 2.401 2.550 . 0 0 "[ . 1 . 2]" 1
804 1 59 VAL HA 1 60 GLY H . . 2.500 2.549 2.492 2.571 0.071 9 0 "[ . 1 . 2]" 1
805 1 59 VAL HB 1 60 GLY H . . 2.500 2.312 2.189 2.441 . 0 0 "[ . 1 . 2]" 1
806 1 59 VAL QG 1 60 GLY H . . 6.600 3.142 3.035 3.199 . 0 0 "[ . 1 . 2]" 1
807 1 60 GLY H 1 60 GLY HA2 . . 2.900 2.351 2.306 2.395 . 0 0 "[ . 1 . 2]" 1
808 1 60 GLY H 1 60 GLY QA . . 2.610 2.260 2.222 2.299 . 0 0 "[ . 1 . 2]" 1
809 1 60 GLY H 1 60 GLY HA3 . . 2.900 2.932 2.882 2.963 0.063 1 0 "[ . 1 . 2]" 1
810 1 60 GLY HA2 1 61 ARG H . . 2.900 2.958 2.890 2.980 0.080 10 0 "[ . 1 . 2]" 1
811 1 60 GLY HA3 1 61 ARG H . . 2.900 2.291 2.120 2.475 . 0 0 "[ . 1 . 2]" 1
812 1 61 ARG H 1 61 ARG QB . . 3.700 2.233 2.012 2.367 . 0 0 "[ . 1 . 2]" 1
813 1 61 ARG H 1 61 ARG HD2 . . 5.500 4.938 4.042 5.589 0.089 18 0 "[ . 1 . 2]" 1
814 1 61 ARG H 1 61 ARG HD3 . . 5.500 4.962 4.432 5.591 0.091 11 0 "[ . 1 . 2]" 1
815 1 61 ARG H 1 79 PHE QD . . 7.500 5.596 4.370 6.460 . 0 0 "[ . 1 . 2]" 1
816 1 61 ARG HA 1 61 ARG HD2 . . 5.500 4.368 4.054 4.691 . 0 0 "[ . 1 . 2]" 1
817 1 61 ARG HA 1 61 ARG HD3 . . 5.500 4.520 3.461 4.838 . 0 0 "[ . 1 . 2]" 1
818 1 61 ARG HA 1 61 ARG HE . . 5.500 5.044 4.078 5.581 0.081 19 0 "[ . 1 . 2]" 1
819 1 61 ARG HA 1 61 ARG HG2 . . 3.500 2.943 2.291 3.362 . 0 0 "[ . 1 . 2]" 1
820 1 61 ARG HA 1 61 ARG HG3 . . 3.500 2.559 2.254 3.543 0.043 14 0 "[ . 1 . 2]" 1
821 1 61 ARG HA 1 62 SER H . . 2.500 2.248 2.107 2.347 . 0 0 "[ . 1 . 2]" 1
822 1 61 ARG HA 1 62 SER HA . . 4.200 4.291 4.287 4.297 0.097 16 0 "[ . 1 . 2]" 1
823 1 61 ARG QB 1 62 SER HA . . 6.500 4.318 3.819 4.739 . 0 0 "[ . 1 . 2]" 1
824 1 61 ARG QB 1 79 PHE QD . . 8.500 3.900 3.093 4.665 . 0 0 "[ . 1 . 2]" 1
825 1 61 ARG QG 1 62 SER HA . . 6.380 4.055 3.170 5.462 . 0 0 "[ . 1 . 2]" 1
826 1 61 ARG QG 1 79 PHE QD . . 7.980 4.112 2.687 5.824 . 0 0 "[ . 1 . 2]" 1
827 1 61 ARG HG2 1 62 SER H . . 4.400 2.604 2.184 3.503 . 0 0 "[ . 1 . 2]" 1
828 1 61 ARG HG3 1 62 SER H . . 4.400 3.056 2.214 4.464 0.064 8 0 "[ . 1 . 2]" 1
829 1 62 SER H 1 62 SER HB2 . . 4.200 3.708 3.230 3.913 . 0 0 "[ . 1 . 2]" 1
830 1 62 SER H 1 62 SER HB3 . . 3.700 3.572 3.219 3.768 0.068 7 0 "[ . 1 . 2]" 1
831 1 62 SER HA 1 62 SER HB2 . . 2.800 2.693 2.556 2.865 0.065 6 0 "[ . 1 . 2]" 1
832 1 62 SER HA 1 62 SER HB3 . . 2.900 2.286 2.218 2.379 . 0 0 "[ . 1 . 2]" 1
833 1 62 SER HA 1 63 THR H . . 2.500 2.372 2.222 2.477 . 0 0 "[ . 1 . 2]" 1
834 1 62 SER HA 1 79 PHE QD . . 7.500 5.188 4.498 6.299 . 0 0 "[ . 1 . 2]" 1
835 1 62 SER HA 1 79 PHE QE . . 6.200 3.446 2.610 4.338 . 0 0 "[ . 1 . 2]" 1
836 1 62 SER HB2 1 63 THR H . . 2.900 2.576 2.238 2.966 0.066 5 0 "[ . 1 . 2]" 1
837 1 62 SER HB3 1 63 THR H . . 3.500 3.382 2.912 3.562 0.062 11 0 "[ . 1 . 2]" 1
838 1 63 THR H 1 63 THR HB . . 3.800 3.418 2.761 3.868 0.068 16 0 "[ . 1 . 2]" 1
839 1 63 THR H 1 63 THR MG . . 4.400 2.910 2.235 3.698 . 0 0 "[ . 1 . 2]" 1
840 1 63 THR H 1 77 THR MG . . 6.500 5.094 4.678 5.299 . 0 0 "[ . 1 . 2]" 1
841 1 63 THR H 1 79 PHE QD . . 7.500 6.156 5.404 6.891 . 0 0 "[ . 1 . 2]" 1
842 1 63 THR H 1 79 PHE QE . . 6.400 4.149 3.141 4.745 . 0 0 "[ . 1 . 2]" 1
843 1 63 THR HA 1 63 THR HB . . 2.800 2.583 2.324 2.870 0.070 7 0 "[ . 1 . 2]" 1
844 1 63 THR HA 1 64 THR H . . 3.000 2.344 2.175 2.696 . 0 0 "[ . 1 . 2]" 1
845 1 63 THR HB 1 79 PHE QD . . 7.000 5.456 4.358 6.572 . 0 0 "[ . 1 . 2]" 1
846 1 63 THR HB 1 79 PHE QE . . 7.500 3.476 2.281 4.973 . 0 0 "[ . 1 . 2]" 1
847 1 64 THR H 1 64 THR HB . . 3.500 2.894 2.398 3.567 0.067 12 0 "[ . 1 . 2]" 1
848 1 64 THR HA 1 65 MET H . . 2.600 2.161 2.083 2.229 . 0 0 "[ . 1 . 2]" 1
849 1 64 THR HB 1 65 MET H . . 4.600 4.285 3.825 4.516 . 0 0 "[ . 1 . 2]" 1
850 1 64 THR MG 1 65 MET H . . 4.900 3.678 2.912 4.124 . 0 0 "[ . 1 . 2]" 1
851 1 65 MET H 1 65 MET HB2 . . 3.300 2.767 2.425 3.106 . 0 0 "[ . 1 . 2]" 1
852 1 65 MET H 1 65 MET QB . . 3.080 2.377 2.228 2.667 . 0 0 "[ . 1 . 2]" 1
853 1 65 MET H 1 65 MET HB3 . . 3.300 2.615 2.343 2.904 . 0 0 "[ . 1 . 2]" 1
854 1 65 MET H 1 65 MET HG2 . . 5.200 4.652 4.435 4.930 . 0 0 "[ . 1 . 2]" 1
855 1 65 MET H 1 65 MET QG . . 4.980 4.099 3.966 4.360 . 0 0 "[ . 1 . 2]" 1
856 1 65 MET H 1 65 MET HG3 . . 5.200 4.573 4.322 5.056 . 0 0 "[ . 1 . 2]" 1
857 1 65 MET HA 1 66 CYS H . . 2.500 2.228 2.122 2.379 . 0 0 "[ . 1 . 2]" 1
858 1 65 MET HB2 1 66 CYS H . . 4.900 4.425 4.153 4.667 . 0 0 "[ . 1 . 2]" 1
859 1 65 MET HB3 1 66 CYS H . . 4.900 4.190 3.856 4.564 . 0 0 "[ . 1 . 2]" 1
860 1 65 MET HG2 1 66 CYS H . . 5.000 4.155 2.387 5.061 0.061 17 0 "[ . 1 . 2]" 1
861 1 65 MET HG3 1 66 CYS H . . 5.000 3.590 2.518 4.963 . 0 0 "[ . 1 . 2]" 1
862 1 66 CYS H 1 66 CYS HB2 . . 3.200 2.504 2.328 2.846 . 0 0 "[ . 1 . 2]" 1
863 1 66 CYS H 1 66 CYS HB3 . . 4.100 3.693 3.585 3.862 . 0 0 "[ . 1 . 2]" 1
864 1 66 CYS HA 1 66 CYS HB3 . . 2.800 2.534 2.457 2.602 . 0 0 "[ . 1 . 2]" 1
865 1 66 CYS HA 1 67 CYS H . . 2.500 2.239 2.152 2.341 . 0 0 "[ . 1 . 2]" 1
866 1 66 CYS HB2 1 67 CYS H . . 4.000 4.070 4.023 4.082 0.082 15 0 "[ . 1 . 2]" 1
867 1 66 CYS HB3 1 67 CYS H . . 3.100 2.949 2.829 3.153 0.053 4 0 "[ . 1 . 2]" 1
868 1 67 CYS CB 1 73 CYS SG . 3.000 3.100 3.078 3.023 3.159 0.059 15 0 "[ . 1 . 2]" 1
869 1 67 CYS H 1 67 CYS HB2 . . 3.000 3.077 3.021 3.090 0.090 8 0 "[ . 1 . 2]" 1
870 1 67 CYS H 1 67 CYS HB3 . . 3.100 2.825 2.645 3.149 0.049 1 0 "[ . 1 . 2]" 1
871 1 67 CYS HA 1 67 CYS HB2 . . 2.800 2.520 2.445 2.711 . 0 0 "[ . 1 . 2]" 1
872 1 67 CYS HA 1 68 PRO HD2 . . 2.700 2.421 2.181 2.762 0.062 9 0 "[ . 1 . 2]" 1
873 1 67 CYS HA 1 68 PRO HD3 . . 2.400 2.334 2.116 2.465 0.065 10 0 "[ . 1 . 2]" 1
874 1 67 CYS HA 1 71 THR MG . . 6.500 4.015 3.350 4.436 . 0 0 "[ . 1 . 2]" 1
875 1 67 CYS SG 1 73 CYS CB . 3.000 3.100 3.099 3.028 3.154 0.054 15 0 "[ . 1 . 2]" 1
876 1 67 CYS SG 1 73 CYS SG . . 2.100 2.090 2.070 2.101 0.001 18 0 "[ . 1 . 2]" 1
877 1 68 PRO HA 1 69 ALA H . . 2.400 2.396 2.114 2.477 0.077 13 0 "[ . 1 . 2]" 1
878 1 68 PRO HA 1 69 ALA MB . . 5.400 4.069 3.694 4.284 . 0 0 "[ . 1 . 2]" 1
879 1 68 PRO HB3 1 69 ALA H . . 3.100 3.039 2.422 3.180 0.080 7 0 "[ . 1 . 2]" 1
880 1 68 PRO HD2 1 71 THR MG . . 4.100 2.439 2.100 2.869 . 0 0 "[ . 1 . 2]" 1
881 1 68 PRO HD3 1 71 THR MG . . 5.100 3.890 3.523 4.234 . 0 0 "[ . 1 . 2]" 1
882 1 69 ALA H 1 69 ALA MB . . 3.400 2.266 2.128 2.493 . 0 0 "[ . 1 . 2]" 1
883 1 69 ALA HA 1 70 ASN H . . 2.500 2.282 2.097 2.578 0.078 7 0 "[ . 1 . 2]" 1
884 1 69 ALA MB 1 70 ASN HD21 . . 6.300 3.527 2.296 5.200 . 0 0 "[ . 1 . 2]" 1
885 1 69 ALA MB 1 70 ASN QD . . 6.090 3.245 2.262 4.456 . 0 0 "[ . 1 . 2]" 1
886 1 69 ALA MB 1 70 ASN HD22 . . 6.300 4.001 2.723 5.182 . 0 0 "[ . 1 . 2]" 1
887 1 70 ASN H 1 70 ASN QB . . 3.910 3.335 2.813 3.574 . 0 0 "[ . 1 . 2]" 1
888 1 70 ASN H 1 71 THR H . . 3.200 2.562 1.583 3.256 0.056 13 0 "[ . 1 . 2]" 1
889 1 70 ASN HA 1 70 ASN HB2 . . 3.000 2.922 2.364 3.057 0.057 14 0 "[ . 1 . 2]" 1
890 1 70 ASN HA 1 70 ASN HB3 . . 3.000 2.494 2.310 2.879 . 0 0 "[ . 1 . 2]" 1
891 1 70 ASN HA 1 71 THR H . . 3.100 2.660 2.402 3.163 0.063 12 0 "[ . 1 . 2]" 1
892 1 71 THR H 1 71 THR HB . . 3.200 3.008 2.484 3.286 0.086 2 0 "[ . 1 . 2]" 1
893 1 71 THR MG 1 72 CYS H . . 4.600 2.726 2.209 3.136 . 0 0 "[ . 1 . 2]" 1
894 1 71 THR MG 1 72 CYS HA . . 6.500 3.904 3.588 4.457 . 0 0 "[ . 1 . 2]" 1
895 1 71 THR MG 1 73 CYS H . . 6.500 4.180 3.675 4.645 . 0 0 "[ . 1 . 2]" 1
896 1 72 CYS H 1 72 CYS HB2 . . 3.200 3.161 2.945 3.280 0.080 2 0 "[ . 1 . 2]" 1
897 1 72 CYS H 1 72 CYS HB3 . . 3.100 2.244 2.113 2.431 . 0 0 "[ . 1 . 2]" 1
898 1 72 CYS HA 1 72 CYS HB2 . . 2.800 2.370 2.266 2.456 . 0 0 "[ . 1 . 2]" 1
899 1 72 CYS HA 1 73 CYS H . . 2.400 2.214 2.114 2.295 . 0 0 "[ . 1 . 2]" 1
900 1 72 CYS HB2 1 73 CYS H . . 4.200 4.124 3.885 4.264 0.064 7 0 "[ . 1 . 2]" 1
901 1 72 CYS HB3 1 73 CYS H . . 4.400 4.393 4.247 4.474 0.074 1 0 "[ . 1 . 2]" 1
902 1 73 CYS H 1 73 CYS HB2 . . 3.000 2.673 2.442 3.070 0.070 15 0 "[ . 1 . 2]" 1
903 1 73 CYS H 1 73 CYS HB3 . . 3.600 3.665 3.635 3.682 0.082 8 0 "[ . 1 . 2]" 1
904 1 73 CYS HA 1 73 CYS HB2 . . 3.000 3.007 2.913 3.052 0.052 12 0 "[ . 1 . 2]" 1
905 1 73 CYS HA 1 73 CYS HB3 . . 2.700 2.427 2.222 2.633 . 0 0 "[ . 1 . 2]" 1
906 1 73 CYS HA 1 74 ASN H . . 2.500 2.233 2.161 2.325 . 0 0 "[ . 1 . 2]" 1
907 1 73 CYS HA 1 75 ILE MD . . 5.500 4.387 3.987 4.662 . 0 0 "[ . 1 . 2]" 1
908 1 74 ASN H 1 74 ASN QB . . 3.600 2.272 2.160 2.417 . 0 0 "[ . 1 . 2]" 1
909 1 74 ASN HA 1 75 ILE H . . 2.500 2.198 2.059 2.271 . 0 0 "[ . 1 . 2]" 1
910 1 74 ASN HA 1 75 ILE HB . . 4.300 4.309 4.127 4.387 0.087 15 0 "[ . 1 . 2]" 1
911 1 74 ASN HA 1 75 ILE QG . . 6.380 5.090 3.165 5.482 . 0 0 "[ . 1 . 2]" 1
912 1 74 ASN QD 1 75 ILE H . . 6.500 3.121 2.129 4.227 . 0 0 "[ . 1 . 2]" 1
913 1 75 ILE H 1 75 ILE HB . . 2.800 2.187 2.039 2.445 . 0 0 "[ . 1 . 2]" 1
914 1 75 ILE H 1 75 ILE HG12 . . 4.700 3.926 2.269 4.124 . 0 0 "[ . 1 . 2]" 1
915 1 75 ILE H 1 75 ILE QG . . 3.880 3.536 2.251 3.622 . 0 0 "[ . 1 . 2]" 1
916 1 75 ILE H 1 75 ILE HG13 . . 4.700 4.064 3.727 4.152 . 0 0 "[ . 1 . 2]" 1
917 1 75 ILE HA 1 75 ILE HG12 . . 3.900 3.605 3.428 3.723 . 0 0 "[ . 1 . 2]" 1
918 1 75 ILE HA 1 75 ILE QG . . 3.500 2.428 2.261 3.215 . 0 0 "[ . 1 . 2]" 1
919 1 75 ILE HA 1 75 ILE HG13 . . 3.900 2.495 2.289 3.887 . 0 0 "[ . 1 . 2]" 1
920 1 75 ILE HA 1 75 ILE MG . . 3.400 2.639 2.332 2.795 . 0 0 "[ . 1 . 2]" 1
921 1 75 ILE HA 1 76 ASN H . . 2.600 2.218 2.091 2.388 . 0 0 "[ . 1 . 2]" 1
922 1 75 ILE HB 1 75 ILE QG . . 2.590 2.314 2.135 2.377 . 0 0 "[ . 1 . 2]" 1
923 1 75 ILE MG 1 76 ASN H . . 6.000 3.464 2.764 4.078 . 0 0 "[ . 1 . 2]" 1
924 1 76 ASN HA 1 77 THR H . . 2.400 2.337 2.165 2.457 0.057 12 0 "[ . 1 . 2]" 1
925 1 77 THR H 1 77 THR MG . . 4.300 2.750 2.044 3.385 . 0 0 "[ . 1 . 2]" 1
926 1 77 THR HA 1 77 THR HB . . 2.800 2.593 2.299 2.887 0.087 3 0 "[ . 1 . 2]" 1
927 1 77 THR HA 1 78 GLY H . . 3.300 2.749 2.353 3.367 0.067 20 0 "[ . 1 . 2]" 1
928 1 77 THR HA 1 79 PHE H . . 5.000 4.357 4.097 4.703 . 0 0 "[ . 1 . 2]" 1
929 1 77 THR HB 1 78 GLY H . . 4.700 2.553 1.991 3.980 . 0 0 "[ . 1 . 2]" 1
930 1 77 THR HB 1 79 PHE H . . 3.600 3.051 2.443 3.681 0.081 8 0 "[ . 1 . 2]" 1
931 1 77 THR HB 1 79 PHE QD . . 5.700 3.867 2.986 5.151 . 0 0 "[ . 1 . 2]" 1
932 1 77 THR HB 1 79 PHE QE . . 7.500 3.549 2.485 4.913 . 0 0 "[ . 1 . 2]" 1
933 1 77 THR MG 1 78 GLY H . . 6.500 3.555 2.953 3.835 . 0 0 "[ . 1 . 2]" 1
934 1 77 THR MG 1 79 PHE H . . 6.500 3.898 2.040 4.723 . 0 0 "[ . 1 . 2]" 1
935 1 77 THR MG 1 79 PHE QD . . 7.800 4.144 2.471 5.030 . 0 0 "[ . 1 . 2]" 1
936 1 77 THR MG 1 79 PHE QE . . 8.500 3.411 2.345 4.553 . 0 0 "[ . 1 . 2]" 1
937 1 78 GLY H 1 79 PHE H . . 2.900 2.707 2.432 2.970 0.070 11 0 "[ . 1 . 2]" 1
938 1 78 GLY QA 1 79 PHE QD . . 8.380 3.675 3.128 4.657 . 0 0 "[ . 1 . 2]" 1
939 1 79 PHE H 1 79 PHE HB2 . . 3.600 3.662 3.606 3.696 0.096 8 0 "[ . 1 . 2]" 1
940 1 79 PHE H 1 79 PHE HB3 . . 3.600 3.233 2.828 3.676 0.076 1 0 "[ . 1 . 2]" 1
941 1 79 PHE HA 1 79 PHE HB2 . . 2.700 2.514 2.434 2.678 . 0 0 "[ . 1 . 2]" 1
942 1 79 PHE HA 1 79 PHE HB3 . . 2.700 2.389 2.298 2.436 . 0 0 "[ . 1 . 2]" 1
943 1 79 PHE HA 1 80 TYR H . . 2.700 2.286 2.073 2.586 . 0 0 "[ . 1 . 2]" 1
944 1 79 PHE HA 1 80 TYR HA . . 4.100 4.187 4.179 4.194 0.094 1 0 "[ . 1 . 2]" 1
945 1 79 PHE HB2 1 80 TYR H . . 2.800 2.371 2.156 2.530 . 0 0 "[ . 1 . 2]" 1
946 1 79 PHE HB3 1 80 TYR H . . 3.500 3.548 3.226 3.588 0.088 6 0 "[ . 1 . 2]" 1
947 1 79 PHE QD 1 80 TYR HA . . 7.500 4.518 4.072 4.888 . 0 0 "[ . 1 . 2]" 1
948 1 79 PHE QD 1 81 ILE HA . . 6.000 3.178 2.696 4.169 . 0 0 "[ . 1 . 2]" 1
949 1 79 PHE QD 1 81 ILE HB . . 7.500 5.357 4.798 5.877 . 0 0 "[ . 1 . 2]" 1
950 1 79 PHE QD 1 81 ILE MD . . 6.400 4.106 3.168 4.611 . 0 0 "[ . 1 . 2]" 1
951 1 79 PHE QD 1 82 ARG H . . 7.500 4.854 4.229 6.015 . 0 0 "[ . 1 . 2]" 1
952 1 79 PHE QE 1 81 ILE MD . . 8.500 4.609 3.800 5.118 . 0 0 "[ . 1 . 2]" 1
953 1 80 TYR H 1 80 TYR HB2 . . 2.700 2.751 2.579 2.780 0.080 6 0 "[ . 1 . 2]" 1
954 1 80 TYR H 1 80 TYR HB3 . . 2.800 2.422 2.202 2.636 . 0 0 "[ . 1 . 2]" 1
955 1 80 TYR HA 1 80 TYR HB2 . . 2.900 2.426 2.390 2.498 . 0 0 "[ . 1 . 2]" 1
956 1 80 TYR HA 1 81 ILE H . . 2.500 2.314 2.220 2.521 0.021 12 0 "[ . 1 . 2]" 1
957 1 80 TYR HB2 1 81 ILE H . . 4.100 4.132 4.010 4.173 0.073 14 0 "[ . 1 . 2]" 1
958 1 80 TYR HB3 1 81 ILE H . . 4.100 4.080 3.603 4.183 0.083 8 0 "[ . 1 . 2]" 1
959 1 80 TYR QD 1 82 ARG HA . . 7.500 5.057 4.167 5.937 . 0 0 "[ . 1 . 2]" 1
960 1 81 ILE H 1 81 ILE HB . . 3.600 3.496 3.375 3.554 . 0 0 "[ . 1 . 2]" 1
961 1 81 ILE H 1 81 ILE MD . . 3.900 1.965 1.825 2.141 . 0 0 "[ . 1 . 2]" 1
962 1 81 ILE H 1 81 ILE HG12 . . 3.300 1.984 1.919 2.104 . 0 0 "[ . 1 . 2]" 1
963 1 81 ILE H 1 81 ILE QG . . 2.840 1.970 1.909 2.084 . 0 0 "[ . 1 . 2]" 1
964 1 81 ILE H 1 81 ILE HG13 . . 3.300 3.376 3.342 3.390 0.090 14 0 "[ . 1 . 2]" 1
965 1 81 ILE H 1 82 ARG H . . 5.500 4.504 4.342 4.678 . 0 0 "[ . 1 . 2]" 1
966 1 81 ILE HA 1 81 ILE HB . . 2.700 2.617 2.506 2.765 0.065 7 0 "[ . 1 . 2]" 1
967 1 81 ILE HA 1 81 ILE MD . . 4.100 3.353 3.237 3.402 . 0 0 "[ . 1 . 2]" 1
968 1 81 ILE HA 1 82 ARG H . . 2.700 2.245 2.143 2.348 . 0 0 "[ . 1 . 2]" 1
969 1 81 ILE HB 1 81 ILE HG12 . . 2.900 2.624 2.528 2.700 . 0 0 "[ . 1 . 2]" 1
970 1 81 ILE HB 1 81 ILE QG . . 2.510 2.163 2.123 2.217 . 0 0 "[ . 1 . 2]" 1
971 1 81 ILE HB 1 81 ILE HG13 . . 2.900 2.304 2.267 2.356 . 0 0 "[ . 1 . 2]" 1
972 1 81 ILE HB 1 82 ARG H . . 3.200 3.164 2.822 3.283 0.083 12 0 "[ . 1 . 2]" 1
973 1 82 ARG H 1 82 ARG QB . . 3.800 2.563 2.277 2.756 . 0 0 "[ . 1 . 2]" 1
974 1 82 ARG H 1 82 ARG HG2 . . 5.100 4.462 3.503 4.977 . 0 0 "[ . 1 . 2]" 1
975 1 82 ARG H 1 82 ARG QG . . 4.780 3.622 2.577 4.215 . 0 0 "[ . 1 . 2]" 1
976 1 82 ARG H 1 82 ARG HG3 . . 5.100 3.910 2.652 4.816 . 0 0 "[ . 1 . 2]" 1
977 1 82 ARG H 1 83 SER H . . 2.700 2.060 1.809 2.732 0.032 4 0 "[ . 1 . 2]" 1
978 1 82 ARG HA 1 82 ARG HG2 . . 3.700 2.832 2.275 3.618 . 0 0 "[ . 1 . 2]" 1
979 1 82 ARG HA 1 82 ARG QG . . 3.030 2.257 2.044 2.586 . 0 0 "[ . 1 . 2]" 1
980 1 82 ARG HA 1 82 ARG HG3 . . 3.700 2.546 2.090 3.695 . 0 0 "[ . 1 . 2]" 1
981 1 82 ARG HA 1 83 SER H . . 3.600 3.503 3.194 3.639 0.039 1 0 "[ . 1 . 2]" 1
982 1 82 ARG QB 1 83 SER H . . 4.200 2.972 1.959 3.625 . 0 0 "[ . 1 . 2]" 1
983 1 82 ARG QD 1 83 SER H . . 5.980 4.921 3.876 5.430 . 0 0 "[ . 1 . 2]" 1
984 1 82 ARG HE 1 82 ARG HG2 . . 4.200 2.922 2.203 3.836 . 0 0 "[ . 1 . 2]" 1
985 1 82 ARG HE 1 82 ARG QG . . 3.910 2.527 2.097 2.984 . 0 0 "[ . 1 . 2]" 1
986 1 82 ARG HE 1 82 ARG HG3 . . 4.200 3.005 2.245 3.757 . 0 0 "[ . 1 . 2]" 1
987 1 82 ARG QG 1 83 SER H . . 4.880 4.321 3.693 4.488 . 0 0 "[ . 1 . 2]" 1
988 1 83 SER H 1 83 SER HG . . 4.600 2.844 2.405 3.705 . 0 0 "[ . 1 . 2]" 1
989 1 83 SER HA 1 83 SER HB2 . . 2.900 2.852 2.515 2.973 0.073 18 0 "[ . 1 . 2]" 1
990 1 83 SER HA 1 83 SER HB3 . . 2.700 2.309 2.211 2.389 . 0 0 "[ . 1 . 2]" 1
991 1 83 SER HA 1 83 SER HG . . 4.000 3.439 2.912 3.962 . 0 0 "[ . 1 . 2]" 1
992 1 83 SER HA 1 84 TYR H . . 2.800 2.471 2.371 2.610 . 0 0 "[ . 1 . 2]" 1
993 1 83 SER HA 1 84 TYR QD . . 7.500 3.667 2.961 4.427 . 0 0 "[ . 1 . 2]" 1
994 1 83 SER HB2 1 84 TYR H . . 3.200 2.992 2.341 3.276 0.076 6 0 "[ . 1 . 2]" 1
995 1 83 SER HB3 1 84 TYR H . . 4.100 2.829 2.231 3.758 . 0 0 "[ . 1 . 2]" 1
996 1 84 TYR H 1 84 TYR HB2 . . 4.000 4.037 3.950 4.074 0.074 10 0 "[ . 1 . 2]" 1
997 1 84 TYR H 1 84 TYR QE . . 6.500 4.644 4.109 5.228 . 0 0 "[ . 1 . 2]" 1
998 1 84 TYR HA 1 84 TYR HB2 . . 2.700 2.339 2.245 2.515 . 0 0 "[ . 1 . 2]" 1
999 1 84 TYR HA 1 84 TYR HB3 . . 2.700 2.555 2.410 2.632 . 0 0 "[ . 1 . 2]" 1
1000 1 84 TYR HA 1 85 ARG H . . 2.700 2.367 2.254 2.541 . 0 0 "[ . 1 . 2]" 1
1001 1 84 TYR HA 1 85 ARG QB . . 5.480 4.018 3.690 4.240 . 0 0 "[ . 1 . 2]" 1
1002 1 84 TYR HB2 1 85 ARG H . . 3.300 2.444 2.190 2.678 . 0 0 "[ . 1 . 2]" 1
1003 1 84 TYR HB3 1 85 ARG H . . 4.000 3.851 3.664 4.023 0.023 9 0 "[ . 1 . 2]" 1
1004 1 84 TYR QD 1 85 ARG H . . 6.700 3.310 2.772 3.825 . 0 0 "[ . 1 . 2]" 1
1005 1 84 TYR QE 1 85 ARG H . . 7.500 5.298 4.727 5.764 . 0 0 "[ . 1 . 2]" 1
1006 1 85 ARG H 1 85 ARG HB2 . . 3.400 3.059 2.438 3.460 0.060 19 0 "[ . 1 . 2]" 1
1007 1 85 ARG H 1 85 ARG HB3 . . 3.400 3.068 2.538 3.492 0.092 2 0 "[ . 1 . 2]" 1
1008 1 85 ARG H 1 85 ARG QD . . 4.680 4.165 3.154 4.325 . 0 0 "[ . 1 . 2]" 1
1009 1 85 ARG HA 1 86 ARG H . . 2.600 2.277 2.207 2.351 . 0 0 "[ . 1 . 2]" 1
1010 1 85 ARG QB 1 85 ARG HE . . 4.280 3.680 2.543 3.953 . 0 0 "[ . 1 . 2]" 1
1011 1 85 ARG QB 1 86 ARG H . . 4.380 3.628 2.937 3.967 . 0 0 "[ . 1 . 2]" 1
1012 1 86 ARG H 1 86 ARG QB . . 3.500 2.324 2.020 2.837 . 0 0 "[ . 1 . 2]" 1
1013 1 86 ARG HA 1 87 VAL H . . 2.500 2.298 2.155 2.469 . 0 0 "[ . 1 . 2]" 1
1014 1 87 VAL H 1 87 VAL MG2 . . 3.700 2.409 2.047 3.160 . 0 0 "[ . 1 . 2]" 1
1015 1 87 VAL HA 1 87 VAL HB . . 2.700 2.498 2.380 2.794 0.094 13 0 "[ . 1 . 2]" 1
1016 1 87 VAL MG1 1 88 GLU H . . 6.500 3.964 2.051 4.423 . 0 0 "[ . 1 . 2]" 1
1017 1 87 VAL MG2 1 88 GLU H . . 5.000 2.841 2.304 4.267 . 0 0 "[ . 1 . 2]" 1
1018 1 88 GLU H 1 88 GLU QB . . 3.630 3.102 2.669 3.386 . 0 0 "[ . 1 . 2]" 1
1019 1 88 GLU H 1 88 GLU HG2 . . 5.500 4.001 2.375 5.466 . 0 0 "[ . 1 . 2]" 1
1020 1 88 GLU H 1 88 GLU HG3 . . 5.500 3.895 2.437 5.192 . 0 0 "[ . 1 . 2]" 1
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