NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
574803 |
2m8j   |
19259 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m8j
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 929
_Distance_constraint_stats_list.Viol_count 2346
_Distance_constraint_stats_list.Viol_total 2192.508
_Distance_constraint_stats_list.Viol_max 0.111
_Distance_constraint_stats_list.Viol_rms 0.0171
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0059
_Distance_constraint_stats_list.Viol_average_violations_only 0.0467
_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 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 GLU 0.000 0.000 5 0 "[ . 1 . 2]"
1 5 MET 0.083 0.062 15 0 "[ . 1 . 2]"
1 6 ALA 0.348 0.082 6 0 "[ . 1 . 2]"
1 7 ASP 2.204 0.075 10 0 "[ . 1 . 2]"
1 8 GLU 1.700 0.082 6 0 "[ . 1 . 2]"
1 9 GLU 1.428 0.075 10 0 "[ . 1 . 2]"
1 10 LYS 1.925 0.091 15 0 "[ . 1 . 2]"
1 11 LEU 9.012 0.091 7 0 "[ . 1 . 2]"
1 12 PRO 5.837 0.073 12 0 "[ . 1 . 2]"
1 13 PRO 3.721 0.081 11 0 "[ . 1 . 2]"
1 14 GLY 2.086 0.073 12 0 "[ . 1 . 2]"
1 15 TRP 12.647 0.087 14 0 "[ . 1 . 2]"
1 16 GLU 7.939 0.084 2 0 "[ . 1 . 2]"
1 17 LYS 8.451 0.089 13 0 "[ . 1 . 2]"
1 18 ARG 6.659 0.094 13 0 "[ . 1 . 2]"
1 19 MET 5.563 0.085 19 0 "[ . 1 . 2]"
1 20 GLU 6.810 0.076 17 0 "[ . 1 . 2]"
1 21 ARG 0.096 0.050 16 0 "[ . 1 . 2]"
1 22 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 SER 1.811 0.075 5 0 "[ . 1 . 2]"
1 24 GLY 4.629 0.076 17 0 "[ . 1 . 2]"
1 25 ARG 9.802 0.092 1 0 "[ . 1 . 2]"
1 26 VAL 10.200 0.092 1 0 "[ . 1 . 2]"
1 27 TYR 9.868 0.094 13 0 "[ . 1 . 2]"
1 28 TYR 9.510 0.089 2 0 "[ . 1 . 2]"
1 29 PHE 10.671 0.080 9 0 "[ . 1 . 2]"
1 30 ASN 12.412 0.084 2 0 "[ . 1 . 2]"
1 31 HIS 3.442 0.069 3 0 "[ . 1 . 2]"
1 32 ILE 8.779 0.111 20 0 "[ . 1 . 2]"
1 33 THR 6.694 0.099 3 0 "[ . 1 . 2]"
1 34 ASN 4.431 0.070 13 0 "[ . 1 . 2]"
1 35 ALA 7.259 0.111 20 0 "[ . 1 . 2]"
1 36 SER 6.250 0.078 9 0 "[ . 1 . 2]"
1 37 GLN 5.234 0.075 7 0 "[ . 1 . 2]"
1 38 TRP 4.841 0.071 8 0 "[ . 1 . 2]"
1 39 GLU 2.543 0.087 20 0 "[ . 1 . 2]"
1 40 ARG 3.962 0.091 7 0 "[ . 1 . 2]"
1 41 PRO 5.396 0.071 7 0 "[ . 1 . 2]"
1 42 SER 4.255 0.069 19 0 "[ . 1 . 2]"
1 43 GLY 2.872 0.081 11 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 LEU QB 1 3 GLU H . . 4.880 3.082 2.032 3.978 . 0 0 "[ . 1 . 2]" 1
2 1 3 GLU H 1 3 GLU HG2 . . 5.220 3.843 2.270 5.220 0.000 5 0 "[ . 1 . 2]" 1
3 1 3 GLU H 1 3 GLU HG3 . . 5.220 3.643 2.114 4.696 . 0 0 "[ . 1 . 2]" 1
4 1 3 GLU HA 1 3 GLU QG . . 3.720 2.809 2.309 3.550 . 0 0 "[ . 1 . 2]" 1
5 1 3 GLU QB 1 3 GLU QG . . 2.350 2.072 1.984 2.119 . 0 0 "[ . 1 . 2]" 1
6 1 5 MET H 1 5 MET HG2 . . 5.500 3.402 2.009 4.956 . 0 0 "[ . 1 . 2]" 1
7 1 5 MET H 1 5 MET HG3 . . 5.500 3.292 2.079 5.222 . 0 0 "[ . 1 . 2]" 1
8 1 5 MET HA 1 6 ALA H . . 3.180 2.433 2.155 3.242 0.062 15 0 "[ . 1 . 2]" 1
9 1 5 MET QB 1 6 ALA H . . 4.160 3.142 2.049 4.055 . 0 0 "[ . 1 . 2]" 1
10 1 5 MET HB2 1 6 ALA H . . 4.860 3.787 2.061 4.590 . 0 0 "[ . 1 . 2]" 1
11 1 5 MET HB3 1 6 ALA H . . 4.860 3.664 2.400 4.516 . 0 0 "[ . 1 . 2]" 1
12 1 6 ALA H 1 6 ALA MB . . 3.390 2.496 2.221 2.685 . 0 0 "[ . 1 . 2]" 1
13 1 6 ALA H 1 7 ASP HA . . 5.260 4.823 4.419 5.328 0.068 1 0 "[ . 1 . 2]" 1
14 1 6 ALA HA 1 7 ASP H . . 2.960 2.352 2.178 2.647 . 0 0 "[ . 1 . 2]" 1
15 1 6 ALA HA 1 7 ASP HA . . 5.110 4.479 4.307 4.574 . 0 0 "[ . 1 . 2]" 1
16 1 6 ALA MB 1 7 ASP H . . 3.730 2.891 2.087 3.753 0.023 9 0 "[ . 1 . 2]" 1
17 1 6 ALA MB 1 8 GLU H . . 4.430 3.146 2.305 4.512 0.082 6 0 "[ . 1 . 2]" 1
18 1 6 ALA MB 1 8 GLU QG . . 4.660 3.091 1.998 4.566 . 0 0 "[ . 1 . 2]" 1
19 1 6 ALA MB 1 9 GLU H . . 4.980 3.442 2.664 4.318 . 0 0 "[ . 1 . 2]" 1
20 1 7 ASP H 1 7 ASP HB2 . . 3.730 2.852 2.316 3.790 0.060 15 0 "[ . 1 . 2]" 1
21 1 7 ASP H 1 7 ASP QB . . 3.180 2.514 2.241 3.047 . 0 0 "[ . 1 . 2]" 1
22 1 7 ASP H 1 7 ASP HB3 . . 3.730 3.200 2.475 3.747 0.017 18 0 "[ . 1 . 2]" 1
23 1 7 ASP H 1 8 GLU HB2 . . 5.500 5.317 4.397 5.573 0.073 9 0 "[ . 1 . 2]" 1
24 1 7 ASP H 1 8 GLU HB3 . . 5.500 4.250 3.931 4.772 . 0 0 "[ . 1 . 2]" 1
25 1 7 ASP H 1 9 GLU QB . . 5.340 4.930 3.980 5.415 0.075 10 0 "[ . 1 . 2]" 1
26 1 7 ASP HA 1 8 GLU HA . . 5.500 4.851 4.707 4.971 . 0 0 "[ . 1 . 2]" 1
27 1 7 ASP HA 1 8 GLU QB . . 5.340 5.287 4.815 5.405 0.065 2 0 "[ . 1 . 2]" 1
28 1 7 ASP HA 1 9 GLU H . . 4.560 3.495 3.218 3.957 . 0 0 "[ . 1 . 2]" 1
29 1 7 ASP HA 1 9 GLU HB2 . . 5.500 5.016 3.874 5.556 0.056 11 0 "[ . 1 . 2]" 1
30 1 7 ASP HA 1 9 GLU QB . . 4.760 4.175 3.533 4.735 . 0 0 "[ . 1 . 2]" 1
31 1 7 ASP HA 1 9 GLU HB3 . . 5.500 4.601 3.682 5.559 0.059 17 0 "[ . 1 . 2]" 1
32 1 7 ASP HA 1 10 LYS H . . 4.900 3.763 3.231 4.199 . 0 0 "[ . 1 . 2]" 1
33 1 7 ASP HA 1 10 LYS QD . . 5.010 3.795 2.161 4.945 . 0 0 "[ . 1 . 2]" 1
34 1 7 ASP QB 1 8 GLU H . . 3.990 3.199 2.575 3.893 . 0 0 "[ . 1 . 2]" 1
35 1 7 ASP QB 1 9 GLU H . . 4.720 4.570 4.293 4.770 0.050 1 0 "[ . 1 . 2]" 1
36 1 7 ASP QB 1 10 LYS H . . 5.130 4.682 4.137 5.104 . 0 0 "[ . 1 . 2]" 1
37 1 7 ASP HB2 1 8 GLU H . . 4.650 3.651 2.726 4.448 . 0 0 "[ . 1 . 2]" 1
38 1 7 ASP HB2 1 9 GLU H . . 5.480 5.154 4.847 5.530 0.050 4 0 "[ . 1 . 2]" 1
39 1 7 ASP HB3 1 8 GLU H . . 4.650 3.737 2.896 4.404 . 0 0 "[ . 1 . 2]" 1
40 1 7 ASP HB3 1 9 GLU H . . 5.480 5.146 4.773 5.536 0.056 16 0 "[ . 1 . 2]" 1
41 1 8 GLU H 1 8 GLU HB2 . . 3.670 3.306 2.248 3.604 . 0 0 "[ . 1 . 2]" 1
42 1 8 GLU H 1 8 GLU QB . . 2.940 2.321 2.082 2.506 . 0 0 "[ . 1 . 2]" 1
43 1 8 GLU H 1 8 GLU HB3 . . 3.670 2.405 2.210 2.556 . 0 0 "[ . 1 . 2]" 1
44 1 8 GLU H 1 8 GLU QG . . 4.090 2.614 1.939 4.018 . 0 0 "[ . 1 . 2]" 1
45 1 8 GLU HA 1 8 GLU QG . . 3.860 3.290 2.584 3.540 . 0 0 "[ . 1 . 2]" 1
46 1 8 GLU QG 1 9 GLU H . . 3.820 3.048 2.374 3.891 0.071 10 0 "[ . 1 . 2]" 1
47 1 8 GLU QG 1 9 GLU HA . . 4.370 3.837 3.166 4.430 0.060 18 0 "[ . 1 . 2]" 1
48 1 8 GLU QG 1 10 LYS H . . 5.040 4.836 4.498 5.116 0.076 1 0 "[ . 1 . 2]" 1
49 1 9 GLU H 1 9 GLU HB2 . . 3.810 2.347 2.043 2.811 . 0 0 "[ . 1 . 2]" 1
50 1 9 GLU H 1 9 GLU QB . . 3.110 2.181 2.010 2.500 . 0 0 "[ . 1 . 2]" 1
51 1 9 GLU H 1 9 GLU HB3 . . 3.810 2.710 2.346 3.540 . 0 0 "[ . 1 . 2]" 1
52 1 9 GLU H 1 9 GLU QG . . 4.110 3.840 2.792 4.179 0.069 11 0 "[ . 1 . 2]" 1
53 1 9 GLU H 1 10 LYS QE . . 5.500 4.295 2.610 5.564 0.064 10 0 "[ . 1 . 2]" 1
54 1 9 GLU QB 1 10 LYS H . . 3.890 3.261 2.908 3.599 . 0 0 "[ . 1 . 2]" 1
55 1 9 GLU QB 1 10 LYS QE . . 5.340 3.205 2.161 4.268 . 0 0 "[ . 1 . 2]" 1
56 1 9 GLU HB2 1 10 LYS H . . 4.730 4.086 3.296 4.386 . 0 0 "[ . 1 . 2]" 1
57 1 9 GLU HB3 1 10 LYS H . . 4.730 3.480 2.997 3.968 . 0 0 "[ . 1 . 2]" 1
58 1 9 GLU QG 1 10 LYS H . . 5.270 4.512 4.025 4.816 . 0 0 "[ . 1 . 2]" 1
59 1 9 GLU QG 1 10 LYS QE . . 5.500 4.459 3.164 5.558 0.058 9 0 "[ . 1 . 2]" 1
60 1 10 LYS H 1 10 LYS QB . . 2.900 2.440 2.147 2.991 0.091 15 0 "[ . 1 . 2]" 1
61 1 10 LYS H 1 10 LYS QE . . 5.250 3.486 2.010 4.572 . 0 0 "[ . 1 . 2]" 1
62 1 10 LYS H 1 10 LYS QG . . 3.360 2.901 2.257 3.437 0.077 6 0 "[ . 1 . 2]" 1
63 1 10 LYS H 1 11 LEU H . . 4.310 4.079 2.895 4.371 0.061 9 0 "[ . 1 . 2]" 1
64 1 10 LYS H 1 11 LEU MD2 . . 4.950 4.146 2.783 4.538 . 0 0 "[ . 1 . 2]" 1
65 1 10 LYS HA 1 10 LYS QD . . 4.580 3.220 2.009 4.489 . 0 0 "[ . 1 . 2]" 1
66 1 10 LYS HA 1 10 LYS QG . . 3.820 2.684 2.173 3.415 . 0 0 "[ . 1 . 2]" 1
67 1 10 LYS HA 1 11 LEU H . . 2.400 2.201 2.058 2.448 0.048 11 0 "[ . 1 . 2]" 1
68 1 10 LYS HA 1 11 LEU HA . . 5.110 4.438 4.316 4.582 . 0 0 "[ . 1 . 2]" 1
69 1 10 LYS HA 1 11 LEU MD2 . . 5.020 3.451 3.142 3.897 . 0 0 "[ . 1 . 2]" 1
70 1 10 LYS QE 1 11 LEU H . . 5.500 5.046 3.258 5.588 0.088 18 0 "[ . 1 . 2]" 1
71 1 10 LYS QG 1 11 LEU H . . 5.300 4.491 3.862 4.962 . 0 0 "[ . 1 . 2]" 1
72 1 11 LEU H 1 11 LEU HB2 . . 2.480 2.252 2.135 2.381 . 0 0 "[ . 1 . 2]" 1
73 1 11 LEU H 1 11 LEU HB3 . . 3.600 3.520 3.462 3.622 0.022 18 0 "[ . 1 . 2]" 1
74 1 11 LEU H 1 11 LEU MD2 . . 3.620 2.054 1.907 2.310 . 0 0 "[ . 1 . 2]" 1
75 1 11 LEU H 1 11 LEU HG . . 4.040 3.763 3.656 3.862 . 0 0 "[ . 1 . 2]" 1
76 1 11 LEU H 1 12 PRO HD2 . . 4.890 4.824 4.741 4.917 0.027 18 0 "[ . 1 . 2]" 1
77 1 11 LEU H 1 12 PRO HD3 . . 5.500 5.018 4.900 5.071 . 0 0 "[ . 1 . 2]" 1
78 1 11 LEU H 1 17 LYS HB2 . . 5.290 4.715 4.366 5.015 . 0 0 "[ . 1 . 2]" 1
79 1 11 LEU H 1 28 TYR QE . . 5.500 5.581 5.564 5.589 0.089 2 0 "[ . 1 . 2]" 1
80 1 11 LEU HA 1 11 LEU MD1 . . 3.140 2.068 2.025 2.131 . 0 0 "[ . 1 . 2]" 1
81 1 11 LEU HA 1 12 PRO HA . . 4.410 4.351 4.276 4.410 0.000 18 0 "[ . 1 . 2]" 1
82 1 11 LEU HA 1 12 PRO HD2 . . 3.010 2.510 2.426 2.560 . 0 0 "[ . 1 . 2]" 1
83 1 11 LEU HA 1 12 PRO HD3 . . 3.490 2.303 2.170 2.379 . 0 0 "[ . 1 . 2]" 1
84 1 11 LEU HA 1 12 PRO HG2 . . 5.130 4.599 4.522 4.646 . 0 0 "[ . 1 . 2]" 1
85 1 11 LEU HA 1 12 PRO HG3 . . 4.910 4.529 4.424 4.586 . 0 0 "[ . 1 . 2]" 1
86 1 11 LEU HA 1 41 PRO HD2 . . 5.100 4.417 4.016 4.618 . 0 0 "[ . 1 . 2]" 1
87 1 11 LEU HB2 1 11 LEU MD2 . . 3.210 2.489 2.413 2.655 . 0 0 "[ . 1 . 2]" 1
88 1 11 LEU HB2 1 11 LEU HG . . 2.870 2.386 2.356 2.414 . 0 0 "[ . 1 . 2]" 1
89 1 11 LEU HB2 1 12 PRO HD3 . . 5.050 4.800 4.717 4.869 . 0 0 "[ . 1 . 2]" 1
90 1 11 LEU HB2 1 15 TRP HB2 . . 4.460 4.062 3.826 4.327 . 0 0 "[ . 1 . 2]" 1
91 1 11 LEU HB2 1 15 TRP HB3 . . 4.710 4.326 4.087 4.595 . 0 0 "[ . 1 . 2]" 1
92 1 11 LEU HB2 1 16 GLU H . . 5.500 5.011 4.579 5.353 . 0 0 "[ . 1 . 2]" 1
93 1 11 LEU HB3 1 11 LEU MD1 . . 3.510 2.391 2.299 2.459 . 0 0 "[ . 1 . 2]" 1
94 1 11 LEU HB3 1 12 PRO HD2 . . 3.870 2.293 2.214 2.395 . 0 0 "[ . 1 . 2]" 1
95 1 11 LEU HB3 1 12 PRO HD3 . . 3.710 3.670 3.587 3.758 0.048 16 0 "[ . 1 . 2]" 1
96 1 11 LEU HB3 1 12 PRO HG2 . . 4.350 4.036 3.897 4.240 . 0 0 "[ . 1 . 2]" 1
97 1 11 LEU HB3 1 15 TRP H . . 4.420 4.135 4.020 4.331 . 0 0 "[ . 1 . 2]" 1
98 1 11 LEU HB3 1 15 TRP HB2 . . 3.970 2.431 2.263 2.643 . 0 0 "[ . 1 . 2]" 1
99 1 11 LEU HB3 1 15 TRP HB3 . . 4.310 2.911 2.686 3.129 . 0 0 "[ . 1 . 2]" 1
100 1 11 LEU HB3 1 16 GLU H . . 4.820 4.431 4.105 4.660 . 0 0 "[ . 1 . 2]" 1
101 1 11 LEU HB3 1 16 GLU HG2 . . 5.500 5.508 5.292 5.562 0.062 12 0 "[ . 1 . 2]" 1
102 1 11 LEU HB3 1 17 LYS H . . 4.970 4.582 4.355 4.838 . 0 0 "[ . 1 . 2]" 1
103 1 11 LEU MD1 1 12 PRO HD2 . . 3.790 2.087 2.015 2.208 . 0 0 "[ . 1 . 2]" 1
104 1 11 LEU MD1 1 12 PRO HD3 . . 3.740 2.606 2.529 2.711 . 0 0 "[ . 1 . 2]" 1
105 1 11 LEU MD1 1 15 TRP H . . 5.470 5.119 4.930 5.253 . 0 0 "[ . 1 . 2]" 1
106 1 11 LEU MD1 1 15 TRP HB2 . . 4.620 3.071 2.889 3.217 . 0 0 "[ . 1 . 2]" 1
107 1 11 LEU MD1 1 15 TRP HB3 . . 5.060 2.641 2.368 2.830 . 0 0 "[ . 1 . 2]" 1
108 1 11 LEU MD1 1 16 GLU H . . 4.770 4.585 4.295 4.806 0.036 2 0 "[ . 1 . 2]" 1
109 1 11 LEU MD1 1 16 GLU HA . . 5.500 4.927 4.704 5.040 . 0 0 "[ . 1 . 2]" 1
110 1 11 LEU MD1 1 28 TYR QD . . 4.000 2.724 2.629 2.855 . 0 0 "[ . 1 . 2]" 1
111 1 11 LEU MD1 1 29 PHE H . . 5.070 4.871 4.608 5.056 . 0 0 "[ . 1 . 2]" 1
112 1 11 LEU MD1 1 40 ARG H . . 5.500 5.537 5.365 5.573 0.073 4 0 "[ . 1 . 2]" 1
113 1 11 LEU MD1 1 40 ARG HA . . 4.580 3.244 3.123 3.319 . 0 0 "[ . 1 . 2]" 1
114 1 11 LEU MD1 1 40 ARG QB . . 4.770 4.028 3.693 4.320 . 0 0 "[ . 1 . 2]" 1
115 1 11 LEU MD1 1 40 ARG QD . . 5.350 4.882 4.046 5.211 . 0 0 "[ . 1 . 2]" 1
116 1 11 LEU MD1 1 40 ARG HG2 . . 3.560 3.378 2.989 3.627 0.067 5 0 "[ . 1 . 2]" 1
117 1 11 LEU MD1 1 40 ARG HG3 . . 4.400 4.436 4.256 4.483 0.083 17 0 "[ . 1 . 2]" 1
118 1 11 LEU MD1 1 41 PRO HD2 . . 3.590 2.086 2.011 2.143 . 0 0 "[ . 1 . 2]" 1
119 1 11 LEU MD1 1 41 PRO HD3 . . 4.280 2.914 2.606 3.034 . 0 0 "[ . 1 . 2]" 1
120 1 11 LEU MD1 1 41 PRO HG2 . . 3.530 2.361 2.257 2.506 . 0 0 "[ . 1 . 2]" 1
121 1 11 LEU MD1 1 41 PRO HG3 . . 4.290 2.498 2.377 2.688 . 0 0 "[ . 1 . 2]" 1
122 1 11 LEU MD2 1 16 GLU HA . . 4.680 4.561 4.347 4.747 0.067 16 0 "[ . 1 . 2]" 1
123 1 11 LEU MD2 1 17 LYS H . . 4.320 3.561 3.414 3.709 . 0 0 "[ . 1 . 2]" 1
124 1 11 LEU MD2 1 17 LYS HA . . 5.370 4.060 3.902 4.220 . 0 0 "[ . 1 . 2]" 1
125 1 11 LEU MD2 1 17 LYS HB2 . . 4.880 2.238 2.052 2.417 . 0 0 "[ . 1 . 2]" 1
126 1 11 LEU MD2 1 17 LYS HB3 . . 5.060 3.223 2.919 3.443 . 0 0 "[ . 1 . 2]" 1
127 1 11 LEU MD2 1 17 LYS QD . . 4.870 2.682 2.407 3.042 . 0 0 "[ . 1 . 2]" 1
128 1 11 LEU MD2 1 28 TYR QD . . 4.380 3.018 2.790 3.278 . 0 0 "[ . 1 . 2]" 1
129 1 11 LEU MD2 1 28 TYR QE . . 3.470 2.045 1.989 2.182 . 0 0 "[ . 1 . 2]" 1
130 1 11 LEU MD2 1 40 ARG QD . . 5.500 5.100 4.318 5.591 0.091 7 0 "[ . 1 . 2]" 1
131 1 11 LEU HG 1 12 PRO HD2 . . 4.400 3.961 3.864 4.083 . 0 0 "[ . 1 . 2]" 1
132 1 11 LEU HG 1 12 PRO HD3 . . 5.100 5.154 5.139 5.163 0.063 17 0 "[ . 1 . 2]" 1
133 1 11 LEU HG 1 15 TRP HB2 . . 4.400 4.235 4.027 4.452 0.052 2 0 "[ . 1 . 2]" 1
134 1 11 LEU HG 1 15 TRP HB3 . . 3.980 3.590 3.397 3.833 . 0 0 "[ . 1 . 2]" 1
135 1 11 LEU HG 1 15 TRP HE3 . . 5.250 5.146 4.974 5.302 0.052 3 0 "[ . 1 . 2]" 1
136 1 11 LEU HG 1 16 GLU H . . 4.630 4.380 4.084 4.680 0.050 2 0 "[ . 1 . 2]" 1
137 1 11 LEU HG 1 16 GLU HA . . 3.820 3.774 3.519 3.877 0.057 5 0 "[ . 1 . 2]" 1
138 1 11 LEU HG 1 16 GLU QB . . 5.350 5.269 5.034 5.415 0.065 2 0 "[ . 1 . 2]" 1
139 1 11 LEU HG 1 17 LYS H . . 3.150 3.182 3.009 3.212 0.062 8 0 "[ . 1 . 2]" 1
140 1 11 LEU HG 1 17 LYS HA . . 4.930 3.625 3.444 3.793 . 0 0 "[ . 1 . 2]" 1
141 1 11 LEU HG 1 17 LYS HB2 . . 3.970 2.611 2.444 2.823 . 0 0 "[ . 1 . 2]" 1
142 1 11 LEU HG 1 28 TYR HA . . 5.250 4.221 3.932 4.495 . 0 0 "[ . 1 . 2]" 1
143 1 11 LEU HG 1 28 TYR QD . . 3.750 2.528 2.393 2.821 . 0 0 "[ . 1 . 2]" 1
144 1 11 LEU HG 1 28 TYR QE . . 3.890 3.499 3.238 3.801 . 0 0 "[ . 1 . 2]" 1
145 1 11 LEU HG 1 29 PHE H . . 5.020 4.870 4.657 5.062 0.042 11 0 "[ . 1 . 2]" 1
146 1 11 LEU HG 1 41 PRO HD2 . . 5.310 4.674 4.515 4.858 . 0 0 "[ . 1 . 2]" 1
147 1 11 LEU HG 1 41 PRO HD3 . . 5.500 5.343 4.982 5.529 0.029 15 0 "[ . 1 . 2]" 1
148 1 12 PRO HA 1 13 PRO HA . . 4.400 4.356 4.310 4.391 . 0 0 "[ . 1 . 2]" 1
149 1 12 PRO HA 1 13 PRO HD2 . . 3.110 2.544 2.433 2.634 . 0 0 "[ . 1 . 2]" 1
150 1 12 PRO HA 1 13 PRO HD3 . . 3.570 2.564 2.449 2.683 . 0 0 "[ . 1 . 2]" 1
151 1 12 PRO HA 1 13 PRO HG2 . . 5.170 4.673 4.570 4.732 . 0 0 "[ . 1 . 2]" 1
152 1 12 PRO HA 1 13 PRO HG3 . . 4.730 4.744 4.655 4.784 0.054 18 0 "[ . 1 . 2]" 1
153 1 12 PRO HA 1 15 TRP H . . 5.500 5.116 5.000 5.293 . 0 0 "[ . 1 . 2]" 1
154 1 12 PRO HA 1 42 SER HA . . 5.450 5.306 4.959 5.515 0.065 7 0 "[ . 1 . 2]" 1
155 1 12 PRO HB2 1 13 PRO HD2 . . 3.610 2.254 2.149 2.358 . 0 0 "[ . 1 . 2]" 1
156 1 12 PRO HB2 1 13 PRO HD3 . . 3.960 3.703 3.605 3.806 . 0 0 "[ . 1 . 2]" 1
157 1 12 PRO HB2 1 14 GLY H . . 5.430 5.485 5.466 5.503 0.073 12 0 "[ . 1 . 2]" 1
158 1 12 PRO HB2 1 15 TRP H . . 4.330 4.120 3.928 4.297 . 0 0 "[ . 1 . 2]" 1
159 1 12 PRO HB2 1 15 TRP HD1 . . 3.520 3.067 2.644 3.219 . 0 0 "[ . 1 . 2]" 1
160 1 12 PRO HB2 1 43 GLY H . . 4.930 2.432 2.049 3.091 . 0 0 "[ . 1 . 2]" 1
161 1 12 PRO HB2 1 43 GLY QA . . 4.710 2.315 2.070 2.579 . 0 0 "[ . 1 . 2]" 1
162 1 12 PRO HB3 1 13 PRO HD2 . . 4.060 2.608 2.431 2.751 . 0 0 "[ . 1 . 2]" 1
163 1 12 PRO HB3 1 13 PRO HD3 . . 3.800 3.829 3.686 3.858 0.058 16 0 "[ . 1 . 2]" 1
164 1 12 PRO HB3 1 15 TRP HD1 . . 4.590 4.588 4.287 4.645 0.055 6 0 "[ . 1 . 2]" 1
165 1 12 PRO HB3 1 41 PRO HG2 . . 5.500 4.804 4.709 4.920 . 0 0 "[ . 1 . 2]" 1
166 1 12 PRO HB3 1 42 SER HA . . 5.260 3.107 2.698 3.329 . 0 0 "[ . 1 . 2]" 1
167 1 12 PRO HB3 1 43 GLY H . . 4.890 2.264 1.922 2.810 . 0 0 "[ . 1 . 2]" 1
168 1 12 PRO HB3 1 43 GLY QA . . 4.370 3.319 3.016 3.819 . 0 0 "[ . 1 . 2]" 1
169 1 12 PRO HD2 1 15 TRP H . . 4.960 4.427 4.289 4.584 . 0 0 "[ . 1 . 2]" 1
170 1 12 PRO HD2 1 15 TRP HB2 . . 5.340 2.429 2.268 2.528 . 0 0 "[ . 1 . 2]" 1
171 1 12 PRO HD2 1 15 TRP HD1 . . 4.440 4.114 3.844 4.240 . 0 0 "[ . 1 . 2]" 1
172 1 12 PRO HD2 1 41 PRO HB2 . . 4.550 4.167 3.921 4.432 . 0 0 "[ . 1 . 2]" 1
173 1 12 PRO HD2 1 41 PRO HG2 . . 4.570 2.189 2.076 2.337 . 0 0 "[ . 1 . 2]" 1
174 1 12 PRO HD2 1 41 PRO HG3 . . 4.910 3.447 3.286 3.574 . 0 0 "[ . 1 . 2]" 1
175 1 12 PRO HD3 1 15 TRP HB2 . . 4.400 4.106 3.937 4.216 . 0 0 "[ . 1 . 2]" 1
176 1 12 PRO HD3 1 15 TRP HD1 . . 5.280 5.197 5.091 5.286 0.006 12 0 "[ . 1 . 2]" 1
177 1 12 PRO HD3 1 41 PRO HB2 . . 4.910 4.754 4.534 4.923 0.013 13 0 "[ . 1 . 2]" 1
178 1 12 PRO HD3 1 41 PRO HD2 . . 4.980 3.810 3.396 4.031 . 0 0 "[ . 1 . 2]" 1
179 1 12 PRO HD3 1 41 PRO HD3 . . 5.490 5.358 4.955 5.535 0.045 20 0 "[ . 1 . 2]" 1
180 1 12 PRO HD3 1 41 PRO HG2 . . 4.240 3.008 2.790 3.098 . 0 0 "[ . 1 . 2]" 1
181 1 12 PRO HD3 1 41 PRO HG3 . . 4.760 4.661 4.408 4.799 0.039 4 0 "[ . 1 . 2]" 1
182 1 12 PRO HD3 1 42 SER H . . 5.500 5.535 5.395 5.564 0.064 16 0 "[ . 1 . 2]" 1
183 1 12 PRO HD3 1 43 GLY H . . 5.160 4.572 4.130 5.043 . 0 0 "[ . 1 . 2]" 1
184 1 12 PRO HG2 1 15 TRP H . . 4.860 3.725 3.475 4.027 . 0 0 "[ . 1 . 2]" 1
185 1 12 PRO HG2 1 15 TRP HD1 . . 4.320 2.288 2.153 2.411 . 0 0 "[ . 1 . 2]" 1
186 1 12 PRO HG2 1 15 TRP HE1 . . 4.140 3.924 3.710 4.132 . 0 0 "[ . 1 . 2]" 1
187 1 12 PRO HG2 1 41 PRO HB3 . . 4.800 4.499 4.216 4.826 0.026 15 0 "[ . 1 . 2]" 1
188 1 12 PRO HG2 1 41 PRO HG2 . . 5.020 2.486 2.322 2.651 . 0 0 "[ . 1 . 2]" 1
189 1 12 PRO HG2 1 42 SER H . . 5.500 4.173 3.712 4.447 . 0 0 "[ . 1 . 2]" 1
190 1 12 PRO HG2 1 43 GLY H . . 4.210 3.347 2.305 3.964 . 0 0 "[ . 1 . 2]" 1
191 1 12 PRO HG2 1 43 GLY QA . . 4.510 3.796 3.438 4.206 . 0 0 "[ . 1 . 2]" 1
192 1 12 PRO HG3 1 13 PRO HD2 . . 4.750 4.646 4.546 4.766 0.016 17 0 "[ . 1 . 2]" 1
193 1 12 PRO HG3 1 15 TRP HB2 . . 5.180 4.142 3.937 4.472 . 0 0 "[ . 1 . 2]" 1
194 1 12 PRO HG3 1 15 TRP HD1 . . 4.810 3.864 3.635 4.077 . 0 0 "[ . 1 . 2]" 1
195 1 12 PRO HG3 1 15 TRP HE1 . . 4.910 4.861 4.557 4.957 0.047 12 0 "[ . 1 . 2]" 1
196 1 12 PRO HG3 1 42 SER HA . . 5.180 2.350 2.176 2.541 . 0 0 "[ . 1 . 2]" 1
197 1 12 PRO HG3 1 43 GLY H . . 4.370 2.618 1.971 3.012 . 0 0 "[ . 1 . 2]" 1
198 1 12 PRO HG3 1 43 GLY QA . . 4.550 4.006 3.843 4.256 . 0 0 "[ . 1 . 2]" 1
199 1 13 PRO HA 1 14 GLY H . . 2.760 2.073 2.032 2.150 . 0 0 "[ . 1 . 2]" 1
200 1 13 PRO HA 1 14 GLY HA2 . . 4.910 4.350 4.287 4.427 . 0 0 "[ . 1 . 2]" 1
201 1 13 PRO HA 1 14 GLY HA3 . . 5.210 4.468 4.436 4.502 . 0 0 "[ . 1 . 2]" 1
202 1 13 PRO HA 1 15 TRP H . . 3.880 3.715 3.529 3.908 0.028 4 0 "[ . 1 . 2]" 1
203 1 13 PRO QB 1 14 GLY H . . 3.880 3.348 2.931 3.639 . 0 0 "[ . 1 . 2]" 1
204 1 13 PRO QB 1 15 TRP H . . 5.340 4.885 4.695 5.054 . 0 0 "[ . 1 . 2]" 1
205 1 13 PRO HB2 1 14 GLY H . . 4.630 3.617 3.071 3.983 . 0 0 "[ . 1 . 2]" 1
206 1 13 PRO HB2 1 43 GLY QA . . 5.500 4.900 4.576 5.091 . 0 0 "[ . 1 . 2]" 1
207 1 13 PRO HB3 1 14 GLY H . . 4.630 3.957 3.656 4.207 . 0 0 "[ . 1 . 2]" 1
208 1 13 PRO HB3 1 43 GLY QA . . 5.500 5.534 5.304 5.581 0.081 11 0 "[ . 1 . 2]" 1
209 1 13 PRO HD2 1 14 GLY H . . 5.500 5.530 5.478 5.558 0.058 11 0 "[ . 1 . 2]" 1
210 1 13 PRO HD2 1 15 TRP H . . 5.400 5.297 5.191 5.388 . 0 0 "[ . 1 . 2]" 1
211 1 13 PRO HD2 1 42 SER HA . . 5.430 5.310 4.890 5.489 0.059 7 0 "[ . 1 . 2]" 1
212 1 13 PRO HD2 1 43 GLY H . . 4.170 3.623 3.208 4.136 . 0 0 "[ . 1 . 2]" 1
213 1 13 PRO HG2 1 15 TRP H . . 5.500 5.459 5.178 5.555 0.055 13 0 "[ . 1 . 2]" 1
214 1 14 GLY H 1 15 TRP H . . 3.150 2.816 2.612 3.169 0.019 12 0 "[ . 1 . 2]" 1
215 1 14 GLY H 1 15 TRP HD1 . . 5.500 5.011 4.832 5.188 . 0 0 "[ . 1 . 2]" 1
216 1 14 GLY H 1 31 HIS HD2 . . 5.500 4.429 4.054 4.861 . 0 0 "[ . 1 . 2]" 1
217 1 14 GLY H 1 32 ILE MD . . 4.930 3.865 3.613 4.172 . 0 0 "[ . 1 . 2]" 1
218 1 14 GLY H 1 32 ILE HG13 . . 5.500 4.670 4.455 5.093 . 0 0 "[ . 1 . 2]" 1
219 1 14 GLY HA2 1 31 HIS H . . 4.100 3.877 3.667 4.077 . 0 0 "[ . 1 . 2]" 1
220 1 14 GLY HA2 1 31 HIS HD2 . . 4.880 3.262 3.016 3.544 . 0 0 "[ . 1 . 2]" 1
221 1 14 GLY HA2 1 32 ILE H . . 4.170 3.774 3.533 4.054 . 0 0 "[ . 1 . 2]" 1
222 1 14 GLY HA2 1 32 ILE MD . . 4.200 2.791 2.575 2.965 . 0 0 "[ . 1 . 2]" 1
223 1 14 GLY HA2 1 32 ILE HG12 . . 4.970 3.780 3.490 4.019 . 0 0 "[ . 1 . 2]" 1
224 1 14 GLY HA2 1 32 ILE HG13 . . 4.530 2.420 2.214 2.734 . 0 0 "[ . 1 . 2]" 1
225 1 14 GLY HA3 1 15 TRP H . . 3.350 3.014 2.939 3.072 . 0 0 "[ . 1 . 2]" 1
226 1 14 GLY HA3 1 15 TRP HD1 . . 5.230 3.919 3.735 4.109 . 0 0 "[ . 1 . 2]" 1
227 1 14 GLY HA3 1 15 TRP HE1 . . 5.370 5.318 5.096 5.431 0.061 2 0 "[ . 1 . 2]" 1
228 1 14 GLY HA3 1 31 HIS H . . 5.320 4.336 4.173 4.517 . 0 0 "[ . 1 . 2]" 1
229 1 14 GLY HA3 1 31 HIS HD2 . . 5.500 4.619 4.454 4.803 . 0 0 "[ . 1 . 2]" 1
230 1 14 GLY HA3 1 32 ILE HB . . 5.160 3.687 3.431 4.133 . 0 0 "[ . 1 . 2]" 1
231 1 14 GLY HA3 1 32 ILE MD . . 4.040 2.122 2.029 2.309 . 0 0 "[ . 1 . 2]" 1
232 1 14 GLY HA3 1 32 ILE HG12 . . 5.210 3.910 3.702 4.114 . 0 0 "[ . 1 . 2]" 1
233 1 14 GLY HA3 1 32 ILE HG13 . . 4.520 2.493 2.255 2.726 . 0 0 "[ . 1 . 2]" 1
234 1 15 TRP H 1 15 TRP HB2 . . 2.690 2.361 2.326 2.407 . 0 0 "[ . 1 . 2]" 1
235 1 15 TRP H 1 15 TRP HB3 . . 3.730 3.577 3.544 3.606 . 0 0 "[ . 1 . 2]" 1
236 1 15 TRP H 1 15 TRP HD1 . . 3.010 2.660 2.554 2.793 . 0 0 "[ . 1 . 2]" 1
237 1 15 TRP H 1 15 TRP HE1 . . 5.190 5.022 4.869 5.167 . 0 0 "[ . 1 . 2]" 1
238 1 15 TRP H 1 16 GLU H . . 4.760 4.538 4.495 4.600 . 0 0 "[ . 1 . 2]" 1
239 1 15 TRP H 1 16 GLU HA . . 5.500 5.422 5.322 5.506 0.006 18 0 "[ . 1 . 2]" 1
240 1 15 TRP H 1 16 GLU HG2 . . 5.500 4.981 4.566 5.188 . 0 0 "[ . 1 . 2]" 1
241 1 15 TRP H 1 30 ASN HA . . 4.930 4.266 4.203 4.357 . 0 0 "[ . 1 . 2]" 1
242 1 15 TRP H 1 30 ASN HB2 . . 5.500 5.529 5.436 5.567 0.067 3 0 "[ . 1 . 2]" 1
243 1 15 TRP H 1 31 HIS H . . 5.220 5.039 4.938 5.235 0.015 18 0 "[ . 1 . 2]" 1
244 1 15 TRP H 1 32 ILE MD . . 4.890 4.513 4.317 4.766 . 0 0 "[ . 1 . 2]" 1
245 1 15 TRP H 1 32 ILE HG13 . . 5.500 5.318 5.125 5.517 0.017 4 0 "[ . 1 . 2]" 1
246 1 15 TRP H 1 41 PRO HG2 . . 5.500 5.323 5.152 5.518 0.018 1 0 "[ . 1 . 2]" 1
247 1 15 TRP H 1 41 PRO HG3 . . 5.500 5.529 5.445 5.554 0.054 8 0 "[ . 1 . 2]" 1
248 1 15 TRP H 1 43 GLY QA . . 5.500 5.099 4.476 5.552 0.052 6 0 "[ . 1 . 2]" 1
249 1 15 TRP HA 1 15 TRP HE1 . . 5.500 5.353 5.253 5.452 . 0 0 "[ . 1 . 2]" 1
250 1 15 TRP HA 1 15 TRP HE3 . . 4.260 3.158 3.074 3.309 . 0 0 "[ . 1 . 2]" 1
251 1 15 TRP HA 1 16 GLU H . . 2.420 2.203 2.145 2.283 . 0 0 "[ . 1 . 2]" 1
252 1 15 TRP HA 1 16 GLU HA . . 5.180 4.526 4.480 4.596 . 0 0 "[ . 1 . 2]" 1
253 1 15 TRP HA 1 29 PHE H . . 4.610 4.013 3.921 4.173 . 0 0 "[ . 1 . 2]" 1
254 1 15 TRP HA 1 29 PHE HA . . 5.300 5.033 4.972 5.065 . 0 0 "[ . 1 . 2]" 1
255 1 15 TRP HA 1 30 ASN H . . 4.260 4.323 4.309 4.334 0.074 13 0 "[ . 1 . 2]" 1
256 1 15 TRP HA 1 30 ASN HA . . 3.350 2.071 2.023 2.118 . 0 0 "[ . 1 . 2]" 1
257 1 15 TRP HA 1 30 ASN HB2 . . 5.150 3.746 3.654 3.834 . 0 0 "[ . 1 . 2]" 1
258 1 15 TRP HA 1 31 HIS H . . 3.490 3.419 3.302 3.539 0.049 18 0 "[ . 1 . 2]" 1
259 1 15 TRP HA 1 31 HIS HD2 . . 5.500 4.378 3.943 4.726 . 0 0 "[ . 1 . 2]" 1
260 1 15 TRP HA 1 32 ILE H . . 5.020 5.066 5.015 5.084 0.064 2 0 "[ . 1 . 2]" 1
261 1 15 TRP HA 1 41 PRO HG3 . . 5.460 4.795 4.648 4.928 . 0 0 "[ . 1 . 2]" 1
262 1 15 TRP HB2 1 15 TRP HE1 . . 4.820 4.844 4.785 4.868 0.048 12 0 "[ . 1 . 2]" 1
263 1 15 TRP HB2 1 16 GLU H . . 3.990 3.951 3.810 4.045 0.055 2 0 "[ . 1 . 2]" 1
264 1 15 TRP HB2 1 29 PHE H . . 5.500 5.560 5.554 5.571 0.071 17 0 "[ . 1 . 2]" 1
265 1 15 TRP HB2 1 30 ASN HA . . 5.480 4.822 4.761 4.874 . 0 0 "[ . 1 . 2]" 1
266 1 15 TRP HB2 1 41 PRO HG2 . . 5.260 3.230 3.076 3.407 . 0 0 "[ . 1 . 2]" 1
267 1 15 TRP HB3 1 15 TRP HE3 . . 3.850 2.497 2.410 2.567 . 0 0 "[ . 1 . 2]" 1
268 1 15 TRP HB3 1 16 GLU H . . 3.200 2.803 2.618 2.952 . 0 0 "[ . 1 . 2]" 1
269 1 15 TRP HB3 1 17 LYS H . . 5.500 5.382 5.260 5.534 0.034 15 0 "[ . 1 . 2]" 1
270 1 15 TRP HB3 1 28 TYR QD . . 5.500 4.462 4.188 4.643 . 0 0 "[ . 1 . 2]" 1
271 1 15 TRP HB3 1 30 ASN HA . . 4.990 4.262 4.184 4.313 . 0 0 "[ . 1 . 2]" 1
272 1 15 TRP HB3 1 41 PRO HG2 . . 4.990 3.395 3.253 3.591 . 0 0 "[ . 1 . 2]" 1
273 1 15 TRP HB3 1 41 PRO HG3 . . 4.540 2.735 2.559 2.889 . 0 0 "[ . 1 . 2]" 1
274 1 15 TRP HD1 1 30 ASN HA . . 5.500 4.793 4.646 4.939 . 0 0 "[ . 1 . 2]" 1
275 1 15 TRP HD1 1 32 ILE MD . . 5.500 4.614 4.246 5.015 . 0 0 "[ . 1 . 2]" 1
276 1 15 TRP HD1 1 43 GLY H . . 5.470 4.364 3.056 5.191 . 0 0 "[ . 1 . 2]" 1
277 1 15 TRP HE1 1 30 ASN HA . . 5.500 5.332 5.165 5.500 . 0 0 "[ . 1 . 2]" 1
278 1 15 TRP HE1 1 30 ASN HB2 . . 4.780 4.004 3.813 4.196 . 0 0 "[ . 1 . 2]" 1
279 1 15 TRP HE1 1 35 ALA MB . . 5.390 5.430 5.170 5.477 0.087 14 0 "[ . 1 . 2]" 1
280 1 15 TRP HE1 1 41 PRO HA . . 5.200 5.213 4.943 5.260 0.060 9 0 "[ . 1 . 2]" 1
281 1 15 TRP HE1 1 41 PRO HB2 . . 4.030 2.929 2.723 3.049 . 0 0 "[ . 1 . 2]" 1
282 1 15 TRP HE1 1 41 PRO HB3 . . 3.900 3.867 3.595 3.956 0.056 10 0 "[ . 1 . 2]" 1
283 1 15 TRP HE1 1 41 PRO HG2 . . 4.820 4.728 4.507 4.869 0.049 11 0 "[ . 1 . 2]" 1
284 1 15 TRP HE1 1 41 PRO HG3 . . 4.830 4.658 4.414 4.831 0.001 8 0 "[ . 1 . 2]" 1
285 1 15 TRP HE1 1 43 GLY H . . 5.440 4.962 3.534 5.500 0.060 1 0 "[ . 1 . 2]" 1
286 1 15 TRP HE3 1 16 GLU H . . 3.230 3.283 3.262 3.290 0.060 11 0 "[ . 1 . 2]" 1
287 1 15 TRP HE3 1 28 TYR HB2 . . 4.430 3.111 2.904 3.323 . 0 0 "[ . 1 . 2]" 1
288 1 15 TRP HE3 1 28 TYR HB3 . . 3.780 2.319 2.203 2.459 . 0 0 "[ . 1 . 2]" 1
289 1 15 TRP HE3 1 29 PHE H . . 3.330 2.916 2.836 3.022 . 0 0 "[ . 1 . 2]" 1
290 1 15 TRP HE3 1 29 PHE HA . . 5.010 3.562 3.470 3.638 . 0 0 "[ . 1 . 2]" 1
291 1 15 TRP HE3 1 30 ASN H . . 3.870 3.701 3.597 3.828 . 0 0 "[ . 1 . 2]" 1
292 1 15 TRP HE3 1 30 ASN HA . . 5.180 3.787 3.683 3.917 . 0 0 "[ . 1 . 2]" 1
293 1 15 TRP HE3 1 30 ASN HB2 . . 5.030 3.511 3.421 3.627 . 0 0 "[ . 1 . 2]" 1
294 1 15 TRP HE3 1 37 GLN H . . 4.560 4.284 4.153 4.431 . 0 0 "[ . 1 . 2]" 1
295 1 15 TRP HE3 1 41 PRO HD2 . . 5.500 5.403 5.224 5.547 0.047 12 0 "[ . 1 . 2]" 1
296 1 15 TRP HE3 1 41 PRO HD3 . . 4.660 4.561 4.443 4.680 0.020 17 0 "[ . 1 . 2]" 1
297 1 15 TRP HE3 1 41 PRO HG3 . . 4.790 2.965 2.782 3.076 . 0 0 "[ . 1 . 2]" 1
298 1 15 TRP HH2 1 30 ASN HB2 . . 5.040 3.761 3.595 3.934 . 0 0 "[ . 1 . 2]" 1
299 1 15 TRP HH2 1 35 ALA MB . . 3.940 3.159 2.768 3.495 . 0 0 "[ . 1 . 2]" 1
300 1 15 TRP HH2 1 36 SER H . . 4.660 3.686 3.415 3.975 . 0 0 "[ . 1 . 2]" 1
301 1 15 TRP HH2 1 36 SER HA . . 5.070 3.701 3.507 3.843 . 0 0 "[ . 1 . 2]" 1
302 1 15 TRP HH2 1 37 GLN HB2 . . 4.580 2.623 2.327 2.828 . 0 0 "[ . 1 . 2]" 1
303 1 15 TRP HZ2 1 30 ASN HB2 . . 5.460 3.514 3.349 3.667 . 0 0 "[ . 1 . 2]" 1
304 1 15 TRP HZ2 1 35 ALA MB . . 4.900 3.790 3.440 4.011 . 0 0 "[ . 1 . 2]" 1
305 1 15 TRP HZ2 1 37 GLN HB2 . . 4.650 4.581 4.346 4.706 0.056 7 0 "[ . 1 . 2]" 1
306 1 15 TRP HZ2 1 41 PRO HB2 . . 4.720 3.832 3.509 4.048 . 0 0 "[ . 1 . 2]" 1
307 1 15 TRP HZ2 1 42 SER H . . 5.000 4.857 4.524 5.066 0.066 14 0 "[ . 1 . 2]" 1
308 1 15 TRP HZ3 1 28 TYR HB2 . . 4.660 2.977 2.822 3.129 . 0 0 "[ . 1 . 2]" 1
309 1 15 TRP HZ3 1 28 TYR HB3 . . 4.660 3.593 3.355 3.725 . 0 0 "[ . 1 . 2]" 1
310 1 15 TRP HZ3 1 29 PHE H . . 5.100 4.302 4.209 4.381 . 0 0 "[ . 1 . 2]" 1
311 1 15 TRP HZ3 1 29 PHE HA . . 4.060 3.281 3.162 3.380 . 0 0 "[ . 1 . 2]" 1
312 1 15 TRP HZ3 1 30 ASN HB2 . . 4.990 3.771 3.647 3.893 . 0 0 "[ . 1 . 2]" 1
313 1 15 TRP HZ3 1 35 ALA MB . . 4.780 4.217 3.938 4.409 . 0 0 "[ . 1 . 2]" 1
314 1 15 TRP HZ3 1 36 SER H . . 4.420 4.062 3.937 4.302 . 0 0 "[ . 1 . 2]" 1
315 1 15 TRP HZ3 1 36 SER HA . . 3.960 2.181 2.070 2.265 . 0 0 "[ . 1 . 2]" 1
316 1 15 TRP HZ3 1 37 GLN H . . 3.360 2.374 2.180 2.596 . 0 0 "[ . 1 . 2]" 1
317 1 15 TRP HZ3 1 37 GLN HB2 . . 4.550 2.825 2.496 3.033 . 0 0 "[ . 1 . 2]" 1
318 1 16 GLU H 1 16 GLU QB . . 3.060 2.432 2.337 2.499 . 0 0 "[ . 1 . 2]" 1
319 1 16 GLU H 1 16 GLU HG2 . . 3.610 3.587 3.176 3.675 0.065 17 0 "[ . 1 . 2]" 1
320 1 16 GLU H 1 16 GLU HG3 . . 5.500 4.229 3.810 4.488 . 0 0 "[ . 1 . 2]" 1
321 1 16 GLU H 1 17 LYS H . . 4.240 4.253 4.185 4.293 0.053 18 0 "[ . 1 . 2]" 1
322 1 16 GLU H 1 18 ARG QG . . 5.340 4.602 4.443 4.792 . 0 0 "[ . 1 . 2]" 1
323 1 16 GLU H 1 28 TYR HA . . 4.580 4.118 4.050 4.203 . 0 0 "[ . 1 . 2]" 1
324 1 16 GLU H 1 28 TYR QD . . 4.910 4.819 4.608 4.954 0.044 17 0 "[ . 1 . 2]" 1
325 1 16 GLU H 1 29 PHE H . . 3.010 2.407 2.338 2.491 . 0 0 "[ . 1 . 2]" 1
326 1 16 GLU H 1 29 PHE HA . . 4.680 4.523 4.453 4.613 . 0 0 "[ . 1 . 2]" 1
327 1 16 GLU H 1 29 PHE HB3 . . 4.030 3.635 3.494 3.768 . 0 0 "[ . 1 . 2]" 1
328 1 16 GLU H 1 29 PHE QD . . 4.540 4.344 4.116 4.601 0.061 15 0 "[ . 1 . 2]" 1
329 1 16 GLU H 1 30 ASN H . . 4.900 4.773 4.710 4.840 . 0 0 "[ . 1 . 2]" 1
330 1 16 GLU H 1 30 ASN HA . . 3.660 3.632 3.553 3.706 0.046 18 0 "[ . 1 . 2]" 1
331 1 16 GLU H 1 30 ASN HB2 . . 5.240 5.250 5.179 5.302 0.062 8 0 "[ . 1 . 2]" 1
332 1 16 GLU H 1 31 HIS H . . 4.630 4.439 4.178 4.687 0.057 5 0 "[ . 1 . 2]" 1
333 1 16 GLU H 1 31 HIS HD2 . . 5.230 4.892 4.172 5.274 0.044 18 0 "[ . 1 . 2]" 1
334 1 16 GLU H 1 41 PRO HG3 . . 5.500 5.237 5.098 5.421 . 0 0 "[ . 1 . 2]" 1
335 1 16 GLU HA 1 17 LYS H . . 2.560 2.189 2.114 2.236 . 0 0 "[ . 1 . 2]" 1
336 1 16 GLU HA 1 17 LYS HB2 . . 5.250 4.562 4.489 4.650 . 0 0 "[ . 1 . 2]" 1
337 1 16 GLU HA 1 17 LYS HB3 . . 5.080 4.535 4.418 4.669 . 0 0 "[ . 1 . 2]" 1
338 1 16 GLU HA 1 18 ARG QG . . 5.140 4.577 4.368 4.832 . 0 0 "[ . 1 . 2]" 1
339 1 16 GLU HA 1 29 PHE H . . 4.640 4.553 4.473 4.629 . 0 0 "[ . 1 . 2]" 1
340 1 16 GLU QB 1 17 LYS H . . 3.300 3.293 3.114 3.363 0.063 2 0 "[ . 1 . 2]" 1
341 1 16 GLU QB 1 17 LYS HB3 . . 5.140 5.143 4.962 5.206 0.066 6 0 "[ . 1 . 2]" 1
342 1 16 GLU QB 1 18 ARG H . . 4.930 4.729 4.521 4.943 0.013 11 0 "[ . 1 . 2]" 1
343 1 16 GLU QB 1 18 ARG QG . . 4.670 2.599 2.420 2.893 . 0 0 "[ . 1 . 2]" 1
344 1 16 GLU QB 1 29 PHE H . . 3.970 3.440 3.297 3.560 . 0 0 "[ . 1 . 2]" 1
345 1 16 GLU QB 1 29 PHE HB2 . . 4.910 4.408 4.235 4.643 . 0 0 "[ . 1 . 2]" 1
346 1 16 GLU QB 1 29 PHE HB3 . . 4.560 2.893 2.764 3.112 . 0 0 "[ . 1 . 2]" 1
347 1 16 GLU QB 1 30 ASN H . . 5.500 5.545 5.425 5.584 0.084 2 0 "[ . 1 . 2]" 1
348 1 16 GLU QB 1 31 HIS H . . 4.750 4.332 3.935 4.616 . 0 0 "[ . 1 . 2]" 1
349 1 16 GLU QB 1 31 HIS HD2 . . 5.130 4.016 3.225 4.501 . 0 0 "[ . 1 . 2]" 1
350 1 16 GLU HG2 1 17 LYS H . . 4.760 4.621 4.487 4.827 0.067 19 0 "[ . 1 . 2]" 1
351 1 16 GLU HG2 1 29 PHE QD . . 5.500 5.466 4.887 5.574 0.074 15 0 "[ . 1 . 2]" 1
352 1 16 GLU HG2 1 31 HIS H . . 5.210 4.847 4.150 5.124 . 0 0 "[ . 1 . 2]" 1
353 1 16 GLU HG3 1 29 PHE HB3 . . 5.320 4.992 4.591 5.353 0.033 9 0 "[ . 1 . 2]" 1
354 1 16 GLU HG3 1 29 PHE QD . . 5.500 4.608 3.949 5.006 . 0 0 "[ . 1 . 2]" 1
355 1 16 GLU HG3 1 31 HIS H . . 5.090 4.669 4.002 5.142 0.052 14 0 "[ . 1 . 2]" 1
356 1 16 GLU HG3 1 31 HIS HD2 . . 5.260 3.106 2.594 3.878 . 0 0 "[ . 1 . 2]" 1
357 1 17 LYS H 1 17 LYS HB2 . . 2.850 2.678 2.598 2.779 . 0 0 "[ . 1 . 2]" 1
358 1 17 LYS H 1 17 LYS HB3 . . 2.740 2.371 2.277 2.484 . 0 0 "[ . 1 . 2]" 1
359 1 17 LYS H 1 17 LYS QG . . 4.760 3.976 3.926 4.034 . 0 0 "[ . 1 . 2]" 1
360 1 17 LYS H 1 18 ARG QG . . 4.810 4.165 3.901 4.372 . 0 0 "[ . 1 . 2]" 1
361 1 17 LYS H 1 28 TYR HA . . 4.930 4.607 4.505 4.684 . 0 0 "[ . 1 . 2]" 1
362 1 17 LYS H 1 28 TYR HB3 . . 5.500 5.534 5.354 5.567 0.067 2 0 "[ . 1 . 2]" 1
363 1 17 LYS H 1 28 TYR QD . . 4.430 3.890 3.755 4.005 . 0 0 "[ . 1 . 2]" 1
364 1 17 LYS H 1 28 TYR QE . . 5.040 4.995 4.747 5.114 0.074 13 0 "[ . 1 . 2]" 1
365 1 17 LYS H 1 29 PHE H . . 5.060 4.804 4.678 4.874 . 0 0 "[ . 1 . 2]" 1
366 1 17 LYS HA 1 17 LYS QG . . 3.450 2.478 2.313 2.590 . 0 0 "[ . 1 . 2]" 1
367 1 17 LYS HA 1 18 ARG H . . 2.400 2.172 2.087 2.226 . 0 0 "[ . 1 . 2]" 1
368 1 17 LYS HA 1 18 ARG HB2 . . 4.950 4.606 4.333 4.929 . 0 0 "[ . 1 . 2]" 1
369 1 17 LYS HA 1 26 VAL MG1 . . 5.000 4.155 3.933 4.373 . 0 0 "[ . 1 . 2]" 1
370 1 17 LYS HA 1 27 TYR H . . 4.430 4.328 4.191 4.461 0.031 17 0 "[ . 1 . 2]" 1
371 1 17 LYS HA 1 28 TYR H . . 4.880 4.821 4.737 4.891 0.011 19 0 "[ . 1 . 2]" 1
372 1 17 LYS HA 1 28 TYR HA . . 3.530 2.292 2.215 2.369 . 0 0 "[ . 1 . 2]" 1
373 1 17 LYS HA 1 28 TYR HB3 . . 5.030 4.084 3.904 4.287 . 0 0 "[ . 1 . 2]" 1
374 1 17 LYS HA 1 28 TYR QD . . 3.980 2.116 2.010 2.201 . 0 0 "[ . 1 . 2]" 1
375 1 17 LYS HA 1 28 TYR QE . . 4.830 3.695 3.520 3.857 . 0 0 "[ . 1 . 2]" 1
376 1 17 LYS HA 1 29 PHE H . . 3.820 3.693 3.640 3.762 . 0 0 "[ . 1 . 2]" 1
377 1 17 LYS HB2 1 17 LYS QE . . 4.810 3.857 3.200 4.179 . 0 0 "[ . 1 . 2]" 1
378 1 17 LYS HB2 1 18 ARG H . . 4.470 4.365 4.167 4.484 0.014 13 0 "[ . 1 . 2]" 1
379 1 17 LYS HB2 1 28 TYR QD . . 5.160 2.433 2.313 2.524 . 0 0 "[ . 1 . 2]" 1
380 1 17 LYS HB2 1 28 TYR QE . . 4.560 2.439 2.245 2.676 . 0 0 "[ . 1 . 2]" 1
381 1 17 LYS HB2 1 29 PHE H . . 5.500 5.558 5.546 5.564 0.064 19 0 "[ . 1 . 2]" 1
382 1 17 LYS HB3 1 17 LYS QE . . 4.790 3.412 2.291 4.047 . 0 0 "[ . 1 . 2]" 1
383 1 17 LYS HB3 1 18 ARG H . . 4.430 4.382 4.230 4.481 0.051 2 0 "[ . 1 . 2]" 1
384 1 17 LYS HB3 1 18 ARG HA . . 5.500 4.931 4.781 5.134 . 0 0 "[ . 1 . 2]" 1
385 1 17 LYS HB3 1 28 TYR QE . . 5.320 3.958 3.805 4.197 . 0 0 "[ . 1 . 2]" 1
386 1 17 LYS QD 1 26 VAL MG1 . . 3.960 2.981 2.111 3.576 . 0 0 "[ . 1 . 2]" 1
387 1 17 LYS QE 1 17 LYS QG . . 3.330 2.176 2.061 2.341 . 0 0 "[ . 1 . 2]" 1
388 1 17 LYS QE 1 18 ARG HA . . 5.440 5.369 4.907 5.519 0.079 12 0 "[ . 1 . 2]" 1
389 1 17 LYS QE 1 26 VAL MG1 . . 3.660 2.213 1.815 2.827 . 0 0 "[ . 1 . 2]" 1
390 1 17 LYS QE 1 26 VAL MG2 . . 3.880 3.606 2.938 3.969 0.089 13 0 "[ . 1 . 2]" 1
391 1 17 LYS QE 1 28 TYR QE . . 4.690 3.869 3.126 4.438 . 0 0 "[ . 1 . 2]" 1
392 1 17 LYS QG 1 18 ARG H . . 3.420 3.082 2.832 3.369 . 0 0 "[ . 1 . 2]" 1
393 1 17 LYS QG 1 18 ARG HA . . 4.910 3.861 3.710 4.040 . 0 0 "[ . 1 . 2]" 1
394 1 17 LYS QG 1 19 MET H . . 5.500 5.493 5.276 5.573 0.073 15 0 "[ . 1 . 2]" 1
395 1 17 LYS QG 1 26 VAL MG1 . . 3.140 2.237 2.080 2.396 . 0 0 "[ . 1 . 2]" 1
396 1 17 LYS QG 1 27 TYR H . . 3.520 3.527 3.293 3.594 0.074 11 0 "[ . 1 . 2]" 1
397 1 17 LYS QG 1 28 TYR H . . 5.500 5.349 5.031 5.559 0.059 19 0 "[ . 1 . 2]" 1
398 1 17 LYS QG 1 28 TYR HA . . 5.500 4.014 3.757 4.264 . 0 0 "[ . 1 . 2]" 1
399 1 17 LYS QG 1 28 TYR QE . . 4.470 2.503 2.285 2.820 . 0 0 "[ . 1 . 2]" 1
400 1 18 ARG H 1 18 ARG HB2 . . 2.990 2.641 2.397 2.907 . 0 0 "[ . 1 . 2]" 1
401 1 18 ARG H 1 18 ARG HD2 . . 5.500 5.261 4.969 5.461 . 0 0 "[ . 1 . 2]" 1
402 1 18 ARG H 1 18 ARG HD3 . . 5.500 4.759 4.096 5.513 0.013 11 0 "[ . 1 . 2]" 1
403 1 18 ARG H 1 18 ARG HG2 . . 3.930 3.135 2.797 3.713 . 0 0 "[ . 1 . 2]" 1
404 1 18 ARG H 1 18 ARG QG . . 3.230 2.927 2.739 3.167 . 0 0 "[ . 1 . 2]" 1
405 1 18 ARG H 1 18 ARG HG3 . . 3.930 3.765 2.918 4.000 0.070 10 0 "[ . 1 . 2]" 1
406 1 18 ARG H 1 19 MET H . . 4.420 4.384 4.332 4.440 0.020 1 0 "[ . 1 . 2]" 1
407 1 18 ARG H 1 19 MET HA . . 5.170 4.831 4.757 4.940 . 0 0 "[ . 1 . 2]" 1
408 1 18 ARG H 1 26 VAL HA . . 4.990 4.816 4.651 4.955 . 0 0 "[ . 1 . 2]" 1
409 1 18 ARG H 1 26 VAL MG1 . . 3.910 3.762 3.535 3.907 . 0 0 "[ . 1 . 2]" 1
410 1 18 ARG H 1 27 TYR H . . 3.200 3.076 2.925 3.189 . 0 0 "[ . 1 . 2]" 1
411 1 18 ARG H 1 27 TYR HA . . 5.000 4.945 4.798 5.063 0.063 13 0 "[ . 1 . 2]" 1
412 1 18 ARG H 1 27 TYR HB2 . . 5.440 5.454 5.377 5.500 0.060 18 0 "[ . 1 . 2]" 1
413 1 18 ARG H 1 27 TYR QE . . 4.850 4.539 4.357 4.870 0.020 10 0 "[ . 1 . 2]" 1
414 1 18 ARG H 1 28 TYR H . . 4.950 4.748 4.616 4.859 . 0 0 "[ . 1 . 2]" 1
415 1 18 ARG H 1 28 TYR HA . . 3.450 3.039 2.785 3.193 . 0 0 "[ . 1 . 2]" 1
416 1 18 ARG H 1 28 TYR QD . . 4.180 3.986 3.646 4.137 . 0 0 "[ . 1 . 2]" 1
417 1 18 ARG H 1 29 PHE H . . 4.190 4.181 4.027 4.251 0.061 17 0 "[ . 1 . 2]" 1
418 1 18 ARG H 1 29 PHE HB2 . . 5.500 4.762 4.463 5.036 . 0 0 "[ . 1 . 2]" 1
419 1 18 ARG H 1 29 PHE HB3 . . 5.500 4.944 4.593 5.175 . 0 0 "[ . 1 . 2]" 1
420 1 18 ARG HA 1 18 ARG HD2 . . 5.000 3.863 3.042 4.642 . 0 0 "[ . 1 . 2]" 1
421 1 18 ARG HA 1 18 ARG HD3 . . 5.000 2.788 2.188 3.948 . 0 0 "[ . 1 . 2]" 1
422 1 18 ARG HA 1 18 ARG HG2 . . 4.030 2.885 2.428 3.237 . 0 0 "[ . 1 . 2]" 1
423 1 18 ARG HA 1 18 ARG QG . . 3.470 2.799 2.391 3.089 . 0 0 "[ . 1 . 2]" 1
424 1 18 ARG HA 1 18 ARG HG3 . . 4.030 3.799 3.504 3.940 . 0 0 "[ . 1 . 2]" 1
425 1 18 ARG HA 1 19 MET H . . 2.680 2.598 2.483 2.690 0.010 9 0 "[ . 1 . 2]" 1
426 1 18 ARG HA 1 19 MET HA . . 5.240 4.531 4.481 4.580 . 0 0 "[ . 1 . 2]" 1
427 1 18 ARG HA 1 19 MET QB . . 4.750 3.931 3.776 4.068 . 0 0 "[ . 1 . 2]" 1
428 1 18 ARG HA 1 26 VAL HA . . 5.390 5.325 5.094 5.442 0.052 19 0 "[ . 1 . 2]" 1
429 1 18 ARG HA 1 26 VAL MG1 . . 5.480 4.379 4.022 4.700 . 0 0 "[ . 1 . 2]" 1
430 1 18 ARG HA 1 27 TYR H . . 5.320 4.801 4.666 4.901 . 0 0 "[ . 1 . 2]" 1
431 1 18 ARG HB2 1 18 ARG HD2 . . 4.220 3.429 2.787 3.780 . 0 0 "[ . 1 . 2]" 1
432 1 18 ARG HB2 1 18 ARG HD3 . . 4.220 3.643 3.402 3.836 . 0 0 "[ . 1 . 2]" 1
433 1 18 ARG HB2 1 19 MET H . . 3.270 3.199 2.899 3.329 0.059 7 0 "[ . 1 . 2]" 1
434 1 18 ARG HB2 1 26 VAL MG1 . . 5.250 5.307 5.179 5.333 0.083 20 0 "[ . 1 . 2]" 1
435 1 18 ARG HB2 1 27 TYR H . . 4.640 4.354 3.992 4.577 . 0 0 "[ . 1 . 2]" 1
436 1 18 ARG HB2 1 27 TYR QE . . 4.770 2.934 2.668 3.212 . 0 0 "[ . 1 . 2]" 1
437 1 18 ARG HB2 1 29 PHE H . . 5.490 4.924 4.502 5.330 . 0 0 "[ . 1 . 2]" 1
438 1 18 ARG HB2 1 29 PHE HB2 . . 5.120 3.731 3.124 4.182 . 0 0 "[ . 1 . 2]" 1
439 1 18 ARG HB3 1 19 MET H . . 2.700 2.148 2.032 2.266 . 0 0 "[ . 1 . 2]" 1
440 1 18 ARG HB3 1 19 MET HA . . 5.020 4.518 4.356 4.683 . 0 0 "[ . 1 . 2]" 1
441 1 18 ARG HB3 1 19 MET QB . . 5.190 4.490 4.272 4.661 . 0 0 "[ . 1 . 2]" 1
442 1 18 ARG HB3 1 27 TYR H . . 5.500 5.354 5.022 5.562 0.062 1 0 "[ . 1 . 2]" 1
443 1 18 ARG HB3 1 27 TYR QE . . 4.980 3.302 2.870 3.710 . 0 0 "[ . 1 . 2]" 1
444 1 18 ARG QD 1 19 MET H . . 4.050 3.638 3.342 4.084 0.034 1 0 "[ . 1 . 2]" 1
445 1 18 ARG QD 1 27 TYR QE . . 4.900 4.680 4.182 4.994 0.094 13 0 "[ . 1 . 2]" 1
446 1 18 ARG HD2 1 19 MET H . . 4.730 4.304 3.770 4.792 0.062 11 0 "[ . 1 . 2]" 1
447 1 18 ARG HD3 1 19 MET H . . 4.730 3.961 3.567 4.433 . 0 0 "[ . 1 . 2]" 1
448 1 18 ARG QG 1 19 MET H . . 4.500 4.164 4.009 4.308 . 0 0 "[ . 1 . 2]" 1
449 1 18 ARG QG 1 27 TYR QE . . 4.710 4.089 3.718 4.382 . 0 0 "[ . 1 . 2]" 1
450 1 18 ARG QG 1 29 PHE H . . 4.380 3.833 3.518 4.201 . 0 0 "[ . 1 . 2]" 1
451 1 18 ARG QG 1 29 PHE HB2 . . 4.810 3.221 2.548 3.732 . 0 0 "[ . 1 . 2]" 1
452 1 18 ARG QG 1 29 PHE HB3 . . 5.020 2.796 2.403 3.133 . 0 0 "[ . 1 . 2]" 1
453 1 18 ARG HG2 1 19 MET H . . 5.150 4.638 4.256 4.860 . 0 0 "[ . 1 . 2]" 1
454 1 18 ARG HG2 1 27 TYR QE . . 5.400 5.124 4.717 5.470 0.070 1 0 "[ . 1 . 2]" 1
455 1 18 ARG HG2 1 29 PHE H . . 5.080 4.445 3.690 5.140 0.060 1 0 "[ . 1 . 2]" 1
456 1 18 ARG HG3 1 19 MET H . . 5.150 4.740 4.566 4.905 . 0 0 "[ . 1 . 2]" 1
457 1 18 ARG HG3 1 27 TYR QE . . 5.400 4.301 3.892 4.614 . 0 0 "[ . 1 . 2]" 1
458 1 18 ARG HG3 1 29 PHE H . . 5.080 4.418 3.637 5.032 . 0 0 "[ . 1 . 2]" 1
459 1 19 MET H 1 19 MET QB . . 2.700 2.621 2.484 2.742 0.042 19 0 "[ . 1 . 2]" 1
460 1 19 MET H 1 19 MET HG2 . . 4.350 4.397 4.302 4.417 0.067 11 0 "[ . 1 . 2]" 1
461 1 19 MET H 1 19 MET HG3 . . 4.910 4.713 4.608 4.864 . 0 0 "[ . 1 . 2]" 1
462 1 19 MET H 1 20 GLU H . . 4.420 4.236 4.101 4.328 . 0 0 "[ . 1 . 2]" 1
463 1 19 MET H 1 26 VAL HA . . 4.770 4.619 4.484 4.706 . 0 0 "[ . 1 . 2]" 1
464 1 19 MET H 1 26 VAL MG1 . . 5.000 4.840 4.579 5.085 0.085 19 0 "[ . 1 . 2]" 1
465 1 19 MET H 1 26 VAL MG2 . . 5.500 5.292 4.844 5.561 0.061 12 0 "[ . 1 . 2]" 1
466 1 19 MET H 1 27 TYR H . . 4.840 4.868 4.698 4.906 0.066 8 0 "[ . 1 . 2]" 1
467 1 19 MET H 1 27 TYR QD . . 4.790 4.333 4.179 4.509 . 0 0 "[ . 1 . 2]" 1
468 1 19 MET H 1 27 TYR QE . . 3.900 3.291 3.043 3.478 . 0 0 "[ . 1 . 2]" 1
469 1 19 MET HA 1 20 GLU H . . 2.580 2.182 2.125 2.262 . 0 0 "[ . 1 . 2]" 1
470 1 19 MET HA 1 25 ARG H . . 4.920 4.066 3.698 4.295 . 0 0 "[ . 1 . 2]" 1
471 1 19 MET HA 1 25 ARG HA . . 5.500 5.070 4.957 5.185 . 0 0 "[ . 1 . 2]" 1
472 1 19 MET HA 1 26 VAL H . . 4.460 4.419 4.294 4.511 0.051 4 0 "[ . 1 . 2]" 1
473 1 19 MET HA 1 26 VAL HA . . 3.200 2.103 2.015 2.185 . 0 0 "[ . 1 . 2]" 1
474 1 19 MET HA 1 26 VAL HB . . 5.410 5.110 4.988 5.196 . 0 0 "[ . 1 . 2]" 1
475 1 19 MET HA 1 26 VAL MG1 . . 4.650 3.645 3.434 3.810 . 0 0 "[ . 1 . 2]" 1
476 1 19 MET HA 1 26 VAL MG2 . . 4.580 3.528 3.200 3.752 . 0 0 "[ . 1 . 2]" 1
477 1 19 MET HA 1 27 TYR H . . 3.300 3.314 3.190 3.361 0.061 12 0 "[ . 1 . 2]" 1
478 1 19 MET HA 1 27 TYR QD . . 4.500 2.638 2.448 2.781 . 0 0 "[ . 1 . 2]" 1
479 1 19 MET HA 1 27 TYR QE . . 4.830 3.305 3.087 3.708 . 0 0 "[ . 1 . 2]" 1
480 1 19 MET QB 1 20 GLU H . . 3.650 3.682 3.608 3.720 0.070 6 0 "[ . 1 . 2]" 1
481 1 19 MET QB 1 24 GLY HA2 . . 5.450 4.378 4.151 4.768 . 0 0 "[ . 1 . 2]" 1
482 1 19 MET QB 1 26 VAL HA . . 4.560 3.124 2.858 3.308 . 0 0 "[ . 1 . 2]" 1
483 1 19 MET QB 1 26 VAL MG1 . . 4.920 3.338 2.921 3.703 . 0 0 "[ . 1 . 2]" 1
484 1 19 MET QB 1 26 VAL MG2 . . 4.360 2.686 2.213 3.011 . 0 0 "[ . 1 . 2]" 1
485 1 19 MET QB 1 27 TYR H . . 4.670 4.544 4.392 4.669 . 0 0 "[ . 1 . 2]" 1
486 1 19 MET HG2 1 20 GLU H . . 3.610 2.736 2.241 3.011 . 0 0 "[ . 1 . 2]" 1
487 1 19 MET HG2 1 24 GLY H . . 4.780 3.978 3.720 4.240 . 0 0 "[ . 1 . 2]" 1
488 1 19 MET HG2 1 24 GLY HA2 . . 4.610 2.406 2.147 2.775 . 0 0 "[ . 1 . 2]" 1
489 1 19 MET HG2 1 25 ARG H . . 4.570 3.085 2.431 3.615 . 0 0 "[ . 1 . 2]" 1
490 1 19 MET HG2 1 26 VAL H . . 5.500 5.185 4.594 5.542 0.042 16 0 "[ . 1 . 2]" 1
491 1 19 MET HG3 1 20 GLU H . . 3.660 2.966 2.644 3.356 . 0 0 "[ . 1 . 2]" 1
492 1 19 MET HG3 1 24 GLY HA2 . . 4.920 3.314 2.799 3.595 . 0 0 "[ . 1 . 2]" 1
493 1 19 MET HG3 1 25 ARG H . . 4.320 3.194 2.771 3.757 . 0 0 "[ . 1 . 2]" 1
494 1 19 MET HG3 1 25 ARG HA . . 5.270 3.708 3.487 3.937 . 0 0 "[ . 1 . 2]" 1
495 1 19 MET HG3 1 25 ARG HB3 . . 5.290 5.070 4.720 5.332 0.042 9 0 "[ . 1 . 2]" 1
496 1 19 MET HG3 1 26 VAL H . . 4.830 3.626 3.317 3.922 . 0 0 "[ . 1 . 2]" 1
497 1 19 MET HG3 1 26 VAL MG2 . . 4.530 2.679 2.185 3.123 . 0 0 "[ . 1 . 2]" 1
498 1 19 MET HG3 1 27 TYR H . . 5.500 5.106 4.807 5.337 . 0 0 "[ . 1 . 2]" 1
499 1 20 GLU H 1 20 GLU HB2 . . 2.810 2.306 2.054 2.533 . 0 0 "[ . 1 . 2]" 1
500 1 20 GLU H 1 20 GLU HB3 . . 3.830 3.519 3.290 3.631 . 0 0 "[ . 1 . 2]" 1
501 1 20 GLU H 1 20 GLU HG2 . . 4.120 3.039 2.425 3.494 . 0 0 "[ . 1 . 2]" 1
502 1 20 GLU H 1 20 GLU QG . . 3.370 2.640 2.187 3.326 . 0 0 "[ . 1 . 2]" 1
503 1 20 GLU H 1 20 GLU HG3 . . 4.120 3.274 2.236 4.179 0.059 14 0 "[ . 1 . 2]" 1
504 1 20 GLU H 1 21 ARG H . . 4.930 4.555 4.431 4.669 . 0 0 "[ . 1 . 2]" 1
505 1 20 GLU H 1 21 ARG HA . . 5.500 5.340 5.079 5.534 0.034 17 0 "[ . 1 . 2]" 1
506 1 20 GLU H 1 24 GLY H . . 4.460 4.139 4.014 4.264 . 0 0 "[ . 1 . 2]" 1
507 1 20 GLU H 1 24 GLY HA2 . . 4.530 3.991 3.680 4.086 . 0 0 "[ . 1 . 2]" 1
508 1 20 GLU H 1 24 GLY HA3 . . 5.500 5.514 5.223 5.566 0.066 10 0 "[ . 1 . 2]" 1
509 1 20 GLU H 1 25 ARG H . . 3.580 2.429 2.248 2.666 . 0 0 "[ . 1 . 2]" 1
510 1 20 GLU H 1 25 ARG HA . . 4.500 4.503 4.424 4.548 0.048 12 0 "[ . 1 . 2]" 1
511 1 20 GLU H 1 26 VAL H . . 4.830 4.776 4.682 4.859 0.029 7 0 "[ . 1 . 2]" 1
512 1 20 GLU H 1 26 VAL HA . . 3.590 3.609 3.485 3.649 0.059 17 0 "[ . 1 . 2]" 1
513 1 20 GLU H 1 26 VAL MG1 . . 5.500 5.312 5.150 5.486 . 0 0 "[ . 1 . 2]" 1
514 1 20 GLU H 1 26 VAL MG2 . . 4.720 4.728 4.511 4.793 0.073 10 0 "[ . 1 . 2]" 1
515 1 20 GLU H 1 27 TYR H . . 5.080 4.811 4.636 5.036 . 0 0 "[ . 1 . 2]" 1
516 1 20 GLU H 1 27 TYR QD . . 3.130 2.895 2.691 3.182 0.052 20 0 "[ . 1 . 2]" 1
517 1 20 GLU H 1 27 TYR QE . . 3.510 3.213 3.054 3.382 . 0 0 "[ . 1 . 2]" 1
518 1 20 GLU HA 1 20 GLU HG2 . . 3.940 2.528 2.257 3.027 . 0 0 "[ . 1 . 2]" 1
519 1 20 GLU HA 1 20 GLU QG . . 3.450 2.470 2.217 2.908 . 0 0 "[ . 1 . 2]" 1
520 1 20 GLU HA 1 20 GLU HG3 . . 3.940 3.512 3.159 3.787 . 0 0 "[ . 1 . 2]" 1
521 1 20 GLU HA 1 21 ARG HA . . 5.170 4.452 4.324 4.527 . 0 0 "[ . 1 . 2]" 1
522 1 20 GLU HA 1 25 ARG H . . 4.370 4.427 4.407 4.446 0.076 17 0 "[ . 1 . 2]" 1
523 1 20 GLU HA 1 27 TYR QD . . 4.930 4.348 4.000 4.634 . 0 0 "[ . 1 . 2]" 1
524 1 20 GLU HA 1 27 TYR QE . . 3.630 2.895 2.590 3.187 . 0 0 "[ . 1 . 2]" 1
525 1 20 GLU HB2 1 24 GLY H . . 3.910 2.978 2.573 3.464 . 0 0 "[ . 1 . 2]" 1
526 1 20 GLU HB2 1 25 ARG H . . 3.120 2.081 1.820 2.302 . 0 0 "[ . 1 . 2]" 1
527 1 20 GLU HB2 1 25 ARG HB2 . . 4.910 3.637 3.178 4.102 . 0 0 "[ . 1 . 2]" 1
528 1 20 GLU HB2 1 27 TYR QD . . 5.060 4.315 3.838 4.710 . 0 0 "[ . 1 . 2]" 1
529 1 20 GLU HB2 1 27 TYR QE . . 5.330 4.527 4.063 4.853 . 0 0 "[ . 1 . 2]" 1
530 1 20 GLU HB2 1 38 TRP HZ3 . . 5.500 4.923 4.291 5.548 0.048 3 0 "[ . 1 . 2]" 1
531 1 20 GLU HB3 1 24 GLY H . . 4.390 3.310 2.560 3.698 . 0 0 "[ . 1 . 2]" 1
532 1 20 GLU QG 1 24 GLY H . . 4.700 4.695 4.494 4.776 0.076 17 0 "[ . 1 . 2]" 1
533 1 20 GLU QG 1 27 TYR QD . . 4.530 2.815 2.373 3.685 . 0 0 "[ . 1 . 2]" 1
534 1 20 GLU QG 1 27 TYR QE . . 4.830 2.782 2.328 3.277 . 0 0 "[ . 1 . 2]" 1
535 1 20 GLU QG 1 38 TRP HZ3 . . 5.340 3.940 2.967 5.016 . 0 0 "[ . 1 . 2]" 1
536 1 20 GLU HG2 1 24 GLY H . . 5.500 5.517 5.392 5.570 0.070 20 0 "[ . 1 . 2]" 1
537 1 20 GLU HG2 1 25 ARG H . . 4.540 4.423 3.833 4.605 0.065 8 0 "[ . 1 . 2]" 1
538 1 20 GLU HG2 1 27 TYR QD . . 5.190 3.175 2.523 3.817 . 0 0 "[ . 1 . 2]" 1
539 1 20 GLU HG3 1 24 GLY H . . 5.500 5.090 4.770 5.325 . 0 0 "[ . 1 . 2]" 1
540 1 20 GLU HG3 1 25 ARG H . . 4.540 3.922 3.161 4.581 0.041 19 0 "[ . 1 . 2]" 1
541 1 20 GLU HG3 1 27 TYR QD . . 5.190 3.661 2.422 4.938 . 0 0 "[ . 1 . 2]" 1
542 1 21 ARG HA 1 21 ARG QD . . 4.530 3.549 2.070 4.522 . 0 0 "[ . 1 . 2]" 1
543 1 21 ARG HA 1 21 ARG HG2 . . 4.140 3.149 2.368 3.894 . 0 0 "[ . 1 . 2]" 1
544 1 21 ARG HA 1 21 ARG HG3 . . 4.140 3.070 2.217 4.190 0.050 16 0 "[ . 1 . 2]" 1
545 1 21 ARG HA 1 24 GLY H . . 4.690 3.907 3.623 4.453 . 0 0 "[ . 1 . 2]" 1
546 1 22 SER QB 1 23 SER H . . 5.500 2.573 2.213 3.385 . 0 0 "[ . 1 . 2]" 1
547 1 23 SER H 1 24 GLY H . . 3.570 2.000 1.798 2.261 . 0 0 "[ . 1 . 2]" 1
548 1 23 SER H 1 24 GLY HA2 . . 5.500 4.274 4.058 4.572 . 0 0 "[ . 1 . 2]" 1
549 1 23 SER HA 1 24 GLY H . . 3.540 3.518 3.452 3.583 0.043 9 0 "[ . 1 . 2]" 1
550 1 23 SER HA 1 24 GLY HA3 . . 4.950 4.530 4.432 4.613 . 0 0 "[ . 1 . 2]" 1
551 1 23 SER QB 1 24 GLY HA3 . . 4.470 4.480 4.286 4.545 0.075 5 0 "[ . 1 . 2]" 1
552 1 23 SER QB 1 25 ARG H . . 4.570 3.994 3.598 4.356 . 0 0 "[ . 1 . 2]" 1
553 1 23 SER HB2 1 24 GLY HA3 . . 5.240 5.042 4.771 5.298 0.058 13 0 "[ . 1 . 2]" 1
554 1 23 SER HB2 1 25 ARG H . . 5.250 4.144 3.699 4.629 . 0 0 "[ . 1 . 2]" 1
555 1 23 SER HB3 1 24 GLY HA3 . . 5.240 5.031 4.853 5.269 0.029 2 0 "[ . 1 . 2]" 1
556 1 23 SER HB3 1 25 ARG H . . 5.250 5.263 4.923 5.319 0.069 8 0 "[ . 1 . 2]" 1
557 1 24 GLY H 1 24 GLY HA2 . . 2.580 2.317 2.281 2.438 . 0 0 "[ . 1 . 2]" 1
558 1 24 GLY H 1 25 ARG H . . 2.740 2.524 2.283 2.769 0.029 7 0 "[ . 1 . 2]" 1
559 1 24 GLY H 1 25 ARG HB2 . . 4.180 4.223 4.143 4.249 0.069 19 0 "[ . 1 . 2]" 1
560 1 24 GLY H 1 25 ARG HB3 . . 5.000 4.771 4.349 5.051 0.051 3 0 "[ . 1 . 2]" 1
561 1 24 GLY HA2 1 25 ARG H . . 3.290 2.694 2.495 2.862 . 0 0 "[ . 1 . 2]" 1
562 1 24 GLY HA2 1 25 ARG HB2 . . 5.500 4.968 4.798 5.179 . 0 0 "[ . 1 . 2]" 1
563 1 24 GLY HA2 1 25 ARG HB3 . . 5.450 5.440 5.270 5.509 0.059 8 0 "[ . 1 . 2]" 1
564 1 24 GLY HA3 1 25 ARG HB2 . . 5.330 5.027 4.842 5.262 . 0 0 "[ . 1 . 2]" 1
565 1 25 ARG H 1 25 ARG HB2 . . 3.100 2.846 2.654 3.014 . 0 0 "[ . 1 . 2]" 1
566 1 25 ARG H 1 25 ARG HB3 . . 3.220 2.818 2.577 3.029 . 0 0 "[ . 1 . 2]" 1
567 1 25 ARG H 1 25 ARG QD . . 4.810 4.512 4.092 4.887 0.077 19 0 "[ . 1 . 2]" 1
568 1 25 ARG H 1 25 ARG QG . . 4.560 4.202 4.084 4.302 . 0 0 "[ . 1 . 2]" 1
569 1 25 ARG H 1 26 VAL H . . 4.310 4.331 4.243 4.377 0.067 6 0 "[ . 1 . 2]" 1
570 1 25 ARG H 1 26 VAL MG2 . . 4.930 4.840 4.600 5.001 0.071 8 0 "[ . 1 . 2]" 1
571 1 25 ARG H 1 27 TYR QD . . 5.270 4.809 4.604 4.968 . 0 0 "[ . 1 . 2]" 1
572 1 25 ARG H 1 27 TYR QE . . 5.500 5.525 5.275 5.580 0.080 13 0 "[ . 1 . 2]" 1
573 1 25 ARG H 1 38 TRP HH2 . . 5.500 5.399 5.015 5.559 0.059 3 0 "[ . 1 . 2]" 1
574 1 25 ARG H 1 38 TRP HZ3 . . 5.500 4.977 4.630 5.244 . 0 0 "[ . 1 . 2]" 1
575 1 25 ARG HA 1 25 ARG HD2 . . 5.340 2.962 2.108 3.820 . 0 0 "[ . 1 . 2]" 1
576 1 25 ARG HA 1 25 ARG QD . . 4.470 2.424 2.069 3.212 . 0 0 "[ . 1 . 2]" 1
577 1 25 ARG HA 1 25 ARG HD3 . . 5.340 3.016 2.084 4.152 . 0 0 "[ . 1 . 2]" 1
578 1 25 ARG HA 1 25 ARG QG . . 3.660 2.606 2.424 2.815 . 0 0 "[ . 1 . 2]" 1
579 1 25 ARG HA 1 26 VAL H . . 2.400 2.201 2.123 2.300 . 0 0 "[ . 1 . 2]" 1
580 1 25 ARG HA 1 26 VAL HA . . 4.760 4.385 4.326 4.430 . 0 0 "[ . 1 . 2]" 1
581 1 25 ARG HA 1 26 VAL MG1 . . 5.470 5.473 5.429 5.508 0.038 10 0 "[ . 1 . 2]" 1
582 1 25 ARG HA 1 26 VAL MG2 . . 4.360 3.479 3.381 3.565 . 0 0 "[ . 1 . 2]" 1
583 1 25 ARG HB2 1 25 ARG HD2 . . 4.110 3.161 2.271 3.727 . 0 0 "[ . 1 . 2]" 1
584 1 25 ARG HB2 1 25 ARG HD3 . . 4.110 2.844 2.189 3.698 . 0 0 "[ . 1 . 2]" 1
585 1 25 ARG HB2 1 26 VAL H . . 4.440 4.428 4.265 4.499 0.059 18 0 "[ . 1 . 2]" 1
586 1 25 ARG HB2 1 38 TRP HZ3 . . 4.630 3.986 3.843 4.133 . 0 0 "[ . 1 . 2]" 1
587 1 25 ARG HB3 1 38 TRP HZ3 . . 4.340 2.523 2.301 2.784 . 0 0 "[ . 1 . 2]" 1
588 1 25 ARG HD2 1 26 VAL H . . 4.710 4.070 3.091 4.767 0.057 11 0 "[ . 1 . 2]" 1
589 1 25 ARG HD3 1 26 VAL H . . 4.710 4.344 3.551 4.776 0.066 5 0 "[ . 1 . 2]" 1
590 1 25 ARG QG 1 26 VAL H . . 3.430 2.778 2.498 2.913 . 0 0 "[ . 1 . 2]" 1
591 1 25 ARG QG 1 26 VAL HA . . 5.140 4.735 4.485 5.009 . 0 0 "[ . 1 . 2]" 1
592 1 25 ARG QG 1 26 VAL MG2 . . 4.390 4.464 4.381 4.482 0.092 1 0 "[ . 1 . 2]" 1
593 1 26 VAL H 1 26 VAL HB . . 2.800 2.578 2.393 2.749 . 0 0 "[ . 1 . 2]" 1
594 1 26 VAL H 1 26 VAL MG1 . . 3.900 3.804 3.744 3.861 . 0 0 "[ . 1 . 2]" 1
595 1 26 VAL H 1 26 VAL MG2 . . 2.650 2.138 2.014 2.379 . 0 0 "[ . 1 . 2]" 1
596 1 26 VAL H 1 27 TYR HA . . 5.500 5.510 5.420 5.560 0.060 15 0 "[ . 1 . 2]" 1
597 1 26 VAL H 1 38 TRP HE3 . . 5.080 5.088 4.844 5.141 0.061 14 0 "[ . 1 . 2]" 1
598 1 26 VAL H 1 38 TRP HZ3 . . 4.350 4.131 3.776 4.391 0.041 20 0 "[ . 1 . 2]" 1
599 1 26 VAL HA 1 26 VAL MG1 . . 3.460 2.349 2.230 2.470 . 0 0 "[ . 1 . 2]" 1
600 1 26 VAL HA 1 26 VAL MG2 . . 3.370 2.446 2.298 2.560 . 0 0 "[ . 1 . 2]" 1
601 1 26 VAL HA 1 27 TYR H . . 2.430 2.303 2.220 2.387 . 0 0 "[ . 1 . 2]" 1
602 1 26 VAL HA 1 27 TYR HA . . 4.540 4.534 4.502 4.578 0.038 12 0 "[ . 1 . 2]" 1
603 1 26 VAL HA 1 27 TYR HB3 . . 5.150 4.348 4.292 4.420 . 0 0 "[ . 1 . 2]" 1
604 1 26 VAL HA 1 27 TYR QD . . 4.430 3.094 2.956 3.497 . 0 0 "[ . 1 . 2]" 1
605 1 26 VAL HB 1 27 TYR H . . 3.940 3.915 3.673 3.993 0.053 7 0 "[ . 1 . 2]" 1
606 1 26 VAL MG1 1 27 TYR H . . 2.840 2.349 2.198 2.460 . 0 0 "[ . 1 . 2]" 1
607 1 26 VAL MG1 1 27 TYR HA . . 4.430 3.629 3.366 3.745 . 0 0 "[ . 1 . 2]" 1
608 1 26 VAL MG1 1 28 TYR H . . 5.260 5.258 4.990 5.331 0.071 5 0 "[ . 1 . 2]" 1
609 1 26 VAL MG1 1 28 TYR QE . . 4.160 3.971 3.668 4.229 0.069 12 0 "[ . 1 . 2]" 1
610 1 26 VAL MG2 1 27 TYR H . . 4.360 4.065 3.847 4.191 . 0 0 "[ . 1 . 2]" 1
611 1 27 TYR H 1 27 TYR HB2 . . 4.140 3.995 3.945 4.041 . 0 0 "[ . 1 . 2]" 1
612 1 27 TYR H 1 27 TYR HB3 . . 3.640 3.361 3.279 3.437 . 0 0 "[ . 1 . 2]" 1
613 1 27 TYR H 1 27 TYR QD . . 2.950 2.675 2.427 2.988 0.038 10 0 "[ . 1 . 2]" 1
614 1 27 TYR H 1 27 TYR QE . . 4.720 4.447 4.313 4.760 0.040 10 0 "[ . 1 . 2]" 1
615 1 27 TYR H 1 28 TYR H . . 4.400 4.330 4.281 4.387 . 0 0 "[ . 1 . 2]" 1
616 1 27 TYR H 1 28 TYR HA . . 4.800 4.570 4.505 4.676 . 0 0 "[ . 1 . 2]" 1
617 1 27 TYR H 1 28 TYR QE . . 5.500 5.517 5.310 5.576 0.076 8 0 "[ . 1 . 2]" 1
618 1 27 TYR HA 1 28 TYR H . . 2.950 2.645 2.574 2.701 . 0 0 "[ . 1 . 2]" 1
619 1 27 TYR HA 1 28 TYR HA . . 4.920 4.533 4.506 4.562 . 0 0 "[ . 1 . 2]" 1
620 1 27 TYR HA 1 28 TYR HB2 . . 5.500 4.805 4.731 4.902 . 0 0 "[ . 1 . 2]" 1
621 1 27 TYR HA 1 38 TRP HB3 . . 5.370 4.266 3.914 4.436 . 0 0 "[ . 1 . 2]" 1
622 1 27 TYR HB2 1 28 TYR H . . 2.680 2.304 2.182 2.399 . 0 0 "[ . 1 . 2]" 1
623 1 27 TYR HB2 1 28 TYR HA . . 5.370 4.834 4.774 4.927 . 0 0 "[ . 1 . 2]" 1
624 1 27 TYR HB2 1 37 GLN H . . 4.340 3.991 3.815 4.108 . 0 0 "[ . 1 . 2]" 1
625 1 27 TYR HB2 1 38 TRP HA . . 4.430 3.270 3.074 3.547 . 0 0 "[ . 1 . 2]" 1
626 1 27 TYR HB2 1 38 TRP HE1 . . 5.500 5.397 4.931 5.559 0.059 11 0 "[ . 1 . 2]" 1
627 1 27 TYR HB2 1 38 TRP HE3 . . 4.840 3.619 3.327 3.797 . 0 0 "[ . 1 . 2]" 1
628 1 27 TYR HB3 1 28 TYR H . . 3.780 3.775 3.672 3.829 0.049 7 0 "[ . 1 . 2]" 1
629 1 27 TYR HB3 1 38 TRP HA . . 4.890 4.168 3.910 4.455 . 0 0 "[ . 1 . 2]" 1
630 1 27 TYR HB3 1 38 TRP HE3 . . 4.290 2.985 2.773 3.134 . 0 0 "[ . 1 . 2]" 1
631 1 27 TYR HB3 1 38 TRP HZ3 . . 4.180 2.702 2.394 3.018 . 0 0 "[ . 1 . 2]" 1
632 1 27 TYR QD 1 28 TYR H . . 2.840 2.808 2.687 2.908 0.068 18 0 "[ . 1 . 2]" 1
633 1 27 TYR QD 1 29 PHE H . . 5.500 4.779 4.675 4.916 . 0 0 "[ . 1 . 2]" 1
634 1 27 TYR QD 1 36 SER HB2 . . 4.300 2.462 2.188 3.176 . 0 0 "[ . 1 . 2]" 1
635 1 27 TYR QE 1 28 TYR H . . 4.920 4.838 4.730 4.952 0.032 18 0 "[ . 1 . 2]" 1
636 1 27 TYR QE 1 29 PHE H . . 4.790 4.841 4.779 4.868 0.078 9 0 "[ . 1 . 2]" 1
637 1 27 TYR QE 1 29 PHE HA . . 5.390 3.623 3.501 3.707 . 0 0 "[ . 1 . 2]" 1
638 1 27 TYR QE 1 29 PHE HB2 . . 3.830 2.317 2.204 2.429 . 0 0 "[ . 1 . 2]" 1
639 1 27 TYR QE 1 30 ASN H . . 5.500 5.522 5.425 5.572 0.072 14 0 "[ . 1 . 2]" 1
640 1 27 TYR QE 1 36 SER HA . . 5.100 4.392 4.037 4.629 . 0 0 "[ . 1 . 2]" 1
641 1 27 TYR QE 1 36 SER HB2 . . 4.420 2.552 2.175 3.056 . 0 0 "[ . 1 . 2]" 1
642 1 27 TYR QE 1 36 SER HB3 . . 4.650 3.381 2.951 3.654 . 0 0 "[ . 1 . 2]" 1
643 1 27 TYR QE 1 37 GLN H . . 5.020 4.856 4.637 5.081 0.061 2 0 "[ . 1 . 2]" 1
644 1 28 TYR H 1 28 TYR HB2 . . 2.930 2.613 2.542 2.718 . 0 0 "[ . 1 . 2]" 1
645 1 28 TYR H 1 29 PHE H . . 4.650 4.455 4.383 4.522 . 0 0 "[ . 1 . 2]" 1
646 1 28 TYR H 1 29 PHE HA . . 5.380 4.957 4.851 5.043 . 0 0 "[ . 1 . 2]" 1
647 1 28 TYR H 1 36 SER HA . . 4.780 4.712 4.609 4.833 0.053 3 0 "[ . 1 . 2]" 1
648 1 28 TYR H 1 36 SER HB2 . . 5.130 4.477 4.209 5.173 0.043 5 0 "[ . 1 . 2]" 1
649 1 28 TYR H 1 37 GLN H . . 3.070 2.911 2.789 3.026 . 0 0 "[ . 1 . 2]" 1
650 1 28 TYR H 1 37 GLN HB2 . . 5.250 5.019 4.723 5.291 0.041 15 0 "[ . 1 . 2]" 1
651 1 28 TYR H 1 38 TRP H . . 4.760 4.820 4.783 4.831 0.071 8 0 "[ . 1 . 2]" 1
652 1 28 TYR H 1 38 TRP HA . . 3.880 3.179 3.012 3.275 . 0 0 "[ . 1 . 2]" 1
653 1 28 TYR H 1 38 TRP HB3 . . 5.500 5.456 5.199 5.552 0.052 19 0 "[ . 1 . 2]" 1
654 1 28 TYR H 1 38 TRP HE3 . . 5.160 5.115 4.928 5.218 0.058 20 0 "[ . 1 . 2]" 1
655 1 28 TYR HA 1 28 TYR QD . . 3.820 2.329 2.204 2.477 . 0 0 "[ . 1 . 2]" 1
656 1 28 TYR HA 1 29 PHE H . . 2.500 2.265 2.223 2.312 . 0 0 "[ . 1 . 2]" 1
657 1 28 TYR HA 1 29 PHE HA . . 5.050 4.514 4.485 4.547 . 0 0 "[ . 1 . 2]" 1
658 1 28 TYR HA 1 37 GLN H . . 4.840 4.659 4.614 4.732 . 0 0 "[ . 1 . 2]" 1
659 1 28 TYR HB2 1 29 PHE H . . 5.240 3.961 3.837 4.058 . 0 0 "[ . 1 . 2]" 1
660 1 28 TYR HB2 1 36 SER HA . . 5.150 4.392 4.214 4.508 . 0 0 "[ . 1 . 2]" 1
661 1 28 TYR HB2 1 37 GLN H . . 3.220 2.977 2.848 3.053 . 0 0 "[ . 1 . 2]" 1
662 1 28 TYR HB2 1 37 GLN HA . . 5.500 5.030 4.858 5.182 . 0 0 "[ . 1 . 2]" 1
663 1 28 TYR HB2 1 37 GLN HB2 . . 4.450 3.703 3.235 4.169 . 0 0 "[ . 1 . 2]" 1
664 1 28 TYR HB2 1 41 PRO HD3 . . 4.260 3.267 3.012 3.555 . 0 0 "[ . 1 . 2]" 1
665 1 28 TYR HB2 1 41 PRO HG3 . . 4.780 3.561 3.356 3.798 . 0 0 "[ . 1 . 2]" 1
666 1 28 TYR HB3 1 29 PHE H . . 3.000 2.999 2.859 3.058 0.058 2 0 "[ . 1 . 2]" 1
667 1 28 TYR HB3 1 36 SER HA . . 5.500 5.014 4.906 5.112 . 0 0 "[ . 1 . 2]" 1
668 1 28 TYR HB3 1 37 GLN H . . 4.250 4.307 4.253 4.318 0.068 16 0 "[ . 1 . 2]" 1
669 1 28 TYR HB3 1 40 ARG HA . . 5.500 5.272 4.984 5.514 0.014 17 0 "[ . 1 . 2]" 1
670 1 28 TYR HB3 1 41 PRO HD2 . . 4.720 4.220 3.911 4.616 . 0 0 "[ . 1 . 2]" 1
671 1 28 TYR HB3 1 41 PRO HD3 . . 4.380 3.473 3.317 3.675 . 0 0 "[ . 1 . 2]" 1
672 1 28 TYR HB3 1 41 PRO HG3 . . 4.830 2.918 2.717 3.095 . 0 0 "[ . 1 . 2]" 1
673 1 28 TYR QD 1 29 PHE H . . 4.070 3.990 3.811 4.075 0.005 20 0 "[ . 1 . 2]" 1
674 1 28 TYR QD 1 37 GLN HB2 . . 5.480 4.305 3.887 4.925 . 0 0 "[ . 1 . 2]" 1
675 1 28 TYR QD 1 38 TRP H . . 4.860 4.495 4.238 4.781 . 0 0 "[ . 1 . 2]" 1
676 1 28 TYR QD 1 38 TRP HA . . 3.970 3.431 3.256 3.772 . 0 0 "[ . 1 . 2]" 1
677 1 28 TYR QD 1 39 GLU H . . 4.160 3.918 3.478 4.217 0.057 19 0 "[ . 1 . 2]" 1
678 1 28 TYR QD 1 40 ARG HA . . 4.170 3.330 3.063 3.724 . 0 0 "[ . 1 . 2]" 1
679 1 28 TYR QD 1 40 ARG QB . . 5.500 5.198 4.985 5.456 . 0 0 "[ . 1 . 2]" 1
680 1 28 TYR QD 1 41 PRO HD2 . . 4.420 3.782 3.595 4.396 . 0 0 "[ . 1 . 2]" 1
681 1 28 TYR QD 1 41 PRO HD3 . . 4.430 2.652 2.322 3.125 . 0 0 "[ . 1 . 2]" 1
682 1 28 TYR QE 1 39 GLU HA . . 5.130 3.561 2.948 4.021 . 0 0 "[ . 1 . 2]" 1
683 1 28 TYR QE 1 40 ARG H . . 3.540 3.390 3.019 3.603 0.063 16 0 "[ . 1 . 2]" 1
684 1 28 TYR QE 1 40 ARG HA . . 4.060 2.757 2.424 3.051 . 0 0 "[ . 1 . 2]" 1
685 1 28 TYR QE 1 40 ARG QB . . 4.430 4.228 3.989 4.400 . 0 0 "[ . 1 . 2]" 1
686 1 28 TYR QE 1 40 ARG HG2 . . 4.690 3.547 3.181 3.990 . 0 0 "[ . 1 . 2]" 1
687 1 28 TYR QE 1 40 ARG HG3 . . 5.270 2.833 2.442 3.291 . 0 0 "[ . 1 . 2]" 1
688 1 28 TYR QE 1 41 PRO HD2 . . 4.790 4.096 3.811 4.675 . 0 0 "[ . 1 . 2]" 1
689 1 28 TYR QE 1 41 PRO HD3 . . 4.800 3.819 3.480 4.118 . 0 0 "[ . 1 . 2]" 1
690 1 29 PHE H 1 29 PHE HB2 . . 4.110 3.117 3.061 3.161 . 0 0 "[ . 1 . 2]" 1
691 1 29 PHE H 1 29 PHE HB3 . . 2.870 2.681 2.563 2.800 . 0 0 "[ . 1 . 2]" 1
692 1 29 PHE H 1 29 PHE QD . . 5.500 4.279 4.158 4.353 . 0 0 "[ . 1 . 2]" 1
693 1 29 PHE H 1 30 ASN H . . 4.300 4.275 4.227 4.337 0.037 5 0 "[ . 1 . 2]" 1
694 1 29 PHE H 1 30 ASN HB2 . . 5.500 5.557 5.539 5.565 0.065 16 0 "[ . 1 . 2]" 1
695 1 29 PHE H 1 36 SER HA . . 4.790 4.460 4.390 4.533 . 0 0 "[ . 1 . 2]" 1
696 1 29 PHE H 1 36 SER HB2 . . 5.500 5.043 4.705 5.249 . 0 0 "[ . 1 . 2]" 1
697 1 29 PHE HA 1 29 PHE QD . . 4.290 2.989 2.778 3.151 . 0 0 "[ . 1 . 2]" 1
698 1 29 PHE HA 1 30 ASN H . . 2.450 2.153 2.088 2.229 . 0 0 "[ . 1 . 2]" 1
699 1 29 PHE HA 1 30 ASN HB2 . . 5.320 4.439 4.381 4.521 . 0 0 "[ . 1 . 2]" 1
700 1 29 PHE HA 1 30 ASN HB3 . . 5.500 4.773 4.529 4.868 . 0 0 "[ . 1 . 2]" 1
701 1 29 PHE HA 1 36 SER H . . 4.560 4.524 4.441 4.601 0.041 14 0 "[ . 1 . 2]" 1
702 1 29 PHE HA 1 36 SER HA . . 3.440 2.072 2.032 2.141 . 0 0 "[ . 1 . 2]" 1
703 1 29 PHE HA 1 36 SER HB2 . . 4.660 2.804 2.251 3.028 . 0 0 "[ . 1 . 2]" 1
704 1 29 PHE HA 1 36 SER HB3 . . 4.810 3.091 2.634 3.834 . 0 0 "[ . 1 . 2]" 1
705 1 29 PHE HA 1 37 GLN H . . 3.770 3.718 3.654 3.792 0.022 14 0 "[ . 1 . 2]" 1
706 1 29 PHE HB2 1 30 ASN H . . 4.310 4.285 4.234 4.358 0.048 4 0 "[ . 1 . 2]" 1
707 1 29 PHE HB2 1 36 SER HA . . 5.500 4.231 4.132 4.360 . 0 0 "[ . 1 . 2]" 1
708 1 29 PHE HB2 1 36 SER HB2 . . 5.060 3.515 2.994 3.926 . 0 0 "[ . 1 . 2]" 1
709 1 29 PHE HB2 1 36 SER HB3 . . 5.130 4.100 3.752 4.835 . 0 0 "[ . 1 . 2]" 1
710 1 29 PHE HB3 1 30 ASN H . . 4.330 4.186 4.110 4.271 . 0 0 "[ . 1 . 2]" 1
711 1 29 PHE HB3 1 31 HIS H . . 5.500 5.161 4.741 5.368 . 0 0 "[ . 1 . 2]" 1
712 1 29 PHE QD 1 30 ASN H . . 3.490 3.510 3.369 3.563 0.073 7 0 "[ . 1 . 2]" 1
713 1 29 PHE QD 1 31 HIS HA . . 4.250 3.362 3.176 3.532 . 0 0 "[ . 1 . 2]" 1
714 1 29 PHE QD 1 34 ASN H . . 5.330 5.351 5.256 5.394 0.064 11 0 "[ . 1 . 2]" 1
715 1 29 PHE QD 1 34 ASN HA . . 4.860 4.405 4.323 4.570 . 0 0 "[ . 1 . 2]" 1
716 1 29 PHE QD 1 36 SER HB2 . . 4.460 2.910 2.148 3.402 . 0 0 "[ . 1 . 2]" 1
717 1 29 PHE QE 1 31 HIS HA . . 3.680 2.088 1.983 2.273 . 0 0 "[ . 1 . 2]" 1
718 1 29 PHE QE 1 31 HIS HB2 . . 5.020 3.608 3.202 4.096 . 0 0 "[ . 1 . 2]" 1
719 1 29 PHE QE 1 33 THR H . . 5.500 5.569 5.552 5.580 0.080 9 0 "[ . 1 . 2]" 1
720 1 29 PHE QE 1 34 ASN H . . 4.320 4.056 3.886 4.230 . 0 0 "[ . 1 . 2]" 1
721 1 29 PHE QE 1 34 ASN HA . . 4.190 2.770 2.448 3.058 . 0 0 "[ . 1 . 2]" 1
722 1 29 PHE QE 1 36 SER HB2 . . 5.080 4.707 3.794 5.139 0.059 16 0 "[ . 1 . 2]" 1
723 1 29 PHE HZ 1 30 ASN H . . 5.500 5.463 5.282 5.565 0.065 4 0 "[ . 1 . 2]" 1
724 1 29 PHE HZ 1 31 HIS HA . . 4.650 4.143 3.811 4.529 . 0 0 "[ . 1 . 2]" 1
725 1 29 PHE HZ 1 34 ASN HA . . 4.390 2.538 2.338 2.810 . 0 0 "[ . 1 . 2]" 1
726 1 30 ASN H 1 30 ASN HB2 . . 3.020 2.705 2.664 2.767 . 0 0 "[ . 1 . 2]" 1
727 1 30 ASN H 1 30 ASN HB3 . . 2.890 2.657 2.443 2.757 . 0 0 "[ . 1 . 2]" 1
728 1 30 ASN H 1 33 THR MG . . 5.410 4.767 4.359 5.098 . 0 0 "[ . 1 . 2]" 1
729 1 30 ASN H 1 34 ASN HA . . 4.720 4.677 4.505 4.771 0.051 10 0 "[ . 1 . 2]" 1
730 1 30 ASN H 1 35 ALA H . . 3.470 3.361 3.047 3.535 0.065 17 0 "[ . 1 . 2]" 1
731 1 30 ASN H 1 35 ALA HA . . 5.500 4.534 4.470 4.588 . 0 0 "[ . 1 . 2]" 1
732 1 30 ASN H 1 35 ALA MB . . 3.640 3.436 3.323 3.585 . 0 0 "[ . 1 . 2]" 1
733 1 30 ASN H 1 36 SER H . . 4.130 4.201 4.190 4.208 0.078 9 0 "[ . 1 . 2]" 1
734 1 30 ASN H 1 36 SER HA . . 3.500 2.838 2.698 3.025 . 0 0 "[ . 1 . 2]" 1
735 1 30 ASN H 1 36 SER HB2 . . 4.470 4.390 3.833 4.541 0.071 17 0 "[ . 1 . 2]" 1
736 1 30 ASN H 1 36 SER HB3 . . 4.820 3.961 3.483 4.626 . 0 0 "[ . 1 . 2]" 1
737 1 30 ASN H 1 37 GLN H . . 5.120 4.982 4.860 5.104 . 0 0 "[ . 1 . 2]" 1
738 1 30 ASN HA 1 31 HIS H . . 2.480 2.275 2.214 2.334 . 0 0 "[ . 1 . 2]" 1
739 1 30 ASN HA 1 31 HIS HA . . 4.650 4.502 4.477 4.556 . 0 0 "[ . 1 . 2]" 1
740 1 30 ASN HA 1 31 HIS HB3 . . 5.500 4.692 4.584 4.858 . 0 0 "[ . 1 . 2]" 1
741 1 30 ASN HA 1 31 HIS HD2 . . 5.300 4.419 4.124 4.599 . 0 0 "[ . 1 . 2]" 1
742 1 30 ASN HA 1 33 THR H . . 4.930 4.695 4.565 4.783 . 0 0 "[ . 1 . 2]" 1
743 1 30 ASN HA 1 34 ASN H . . 5.500 5.204 5.090 5.278 . 0 0 "[ . 1 . 2]" 1
744 1 30 ASN HB2 1 31 HIS H . . 4.610 4.566 4.503 4.642 0.032 7 0 "[ . 1 . 2]" 1
745 1 30 ASN HB2 1 32 ILE H . . 4.790 4.700 4.588 4.790 . 0 0 "[ . 1 . 2]" 1
746 1 30 ASN HB2 1 33 THR H . . 4.570 4.630 4.603 4.645 0.075 3 0 "[ . 1 . 2]" 1
747 1 30 ASN HB2 1 33 THR MG . . 5.430 3.783 3.415 4.267 . 0 0 "[ . 1 . 2]" 1
748 1 30 ASN HB2 1 34 ASN H . . 5.460 5.432 5.235 5.517 0.057 14 0 "[ . 1 . 2]" 1
749 1 30 ASN HB2 1 35 ALA H . . 3.950 3.981 3.926 4.016 0.066 2 0 "[ . 1 . 2]" 1
750 1 30 ASN HB2 1 35 ALA MB . . 4.220 2.960 2.805 3.118 . 0 0 "[ . 1 . 2]" 1
751 1 30 ASN HB3 1 32 ILE H . . 5.050 3.986 3.792 4.279 . 0 0 "[ . 1 . 2]" 1
752 1 30 ASN HB3 1 33 THR MG . . 3.710 2.635 2.200 3.003 . 0 0 "[ . 1 . 2]" 1
753 1 30 ASN HB3 1 34 ASN H . . 3.890 3.798 3.579 3.929 0.039 3 0 "[ . 1 . 2]" 1
754 1 30 ASN HB3 1 34 ASN HA . . 4.660 4.663 4.537 4.713 0.053 18 0 "[ . 1 . 2]" 1
755 1 30 ASN HB3 1 35 ALA H . . 2.880 2.343 2.219 2.478 . 0 0 "[ . 1 . 2]" 1
756 1 30 ASN HB3 1 35 ALA MB . . 3.940 2.120 2.055 2.247 . 0 0 "[ . 1 . 2]" 1
757 1 31 HIS H 1 31 HIS HB2 . . 3.730 3.633 3.592 3.675 . 0 0 "[ . 1 . 2]" 1
758 1 31 HIS H 1 31 HIS HB3 . . 2.990 2.547 2.469 2.620 . 0 0 "[ . 1 . 2]" 1
759 1 31 HIS H 1 31 HIS HD2 . . 3.200 2.672 2.414 2.826 . 0 0 "[ . 1 . 2]" 1
760 1 31 HIS H 1 31 HIS HE1 . . 5.500 5.551 5.516 5.568 0.068 8 0 "[ . 1 . 2]" 1
761 1 31 HIS H 1 35 ALA H . . 5.380 5.314 5.056 5.438 0.058 13 0 "[ . 1 . 2]" 1
762 1 31 HIS HA 1 32 ILE H . . 3.420 3.413 3.352 3.459 0.039 15 0 "[ . 1 . 2]" 1
763 1 31 HIS HA 1 32 ILE HA . . 4.900 4.785 4.730 4.843 . 0 0 "[ . 1 . 2]" 1
764 1 31 HIS HA 1 33 THR H . . 5.160 4.180 4.009 4.360 . 0 0 "[ . 1 . 2]" 1
765 1 31 HIS HA 1 34 ASN H . . 4.540 3.064 2.817 3.228 . 0 0 "[ . 1 . 2]" 1
766 1 31 HIS HB2 1 32 ILE H . . 4.340 4.293 4.158 4.380 0.040 8 0 "[ . 1 . 2]" 1
767 1 31 HIS HB2 1 34 ASN H . . 5.450 5.082 4.798 5.289 . 0 0 "[ . 1 . 2]" 1
768 1 31 HIS HB3 1 32 ILE H . . 4.310 4.278 4.190 4.367 0.057 3 0 "[ . 1 . 2]" 1
769 1 31 HIS HD2 1 32 ILE H . . 4.400 4.428 4.232 4.463 0.063 13 0 "[ . 1 . 2]" 1
770 1 31 HIS HD2 1 32 ILE MD . . 5.500 5.417 5.159 5.569 0.069 3 0 "[ . 1 . 2]" 1
771 1 31 HIS HD2 1 32 ILE HG13 . . 5.350 4.587 4.258 4.830 . 0 0 "[ . 1 . 2]" 1
772 1 31 HIS HE1 1 32 ILE H . . 5.480 5.070 4.780 5.487 0.007 3 0 "[ . 1 . 2]" 1
773 1 32 ILE H 1 32 ILE HB . . 2.660 2.393 2.256 2.520 . 0 0 "[ . 1 . 2]" 1
774 1 32 ILE H 1 32 ILE MD . . 4.310 3.671 3.489 3.810 . 0 0 "[ . 1 . 2]" 1
775 1 32 ILE H 1 32 ILE HG12 . . 3.860 3.610 3.408 3.779 . 0 0 "[ . 1 . 2]" 1
776 1 32 ILE H 1 32 ILE HG13 . . 2.950 2.367 2.174 2.486 . 0 0 "[ . 1 . 2]" 1
777 1 32 ILE H 1 32 ILE MG . . 4.000 3.774 3.702 3.836 . 0 0 "[ . 1 . 2]" 1
778 1 32 ILE H 1 33 THR H . . 2.580 2.600 2.494 2.639 0.059 1 0 "[ . 1 . 2]" 1
779 1 32 ILE H 1 33 THR HB . . 5.500 5.207 4.994 5.560 0.060 2 0 "[ . 1 . 2]" 1
780 1 32 ILE H 1 34 ASN H . . 3.550 3.611 3.598 3.620 0.070 13 0 "[ . 1 . 2]" 1
781 1 32 ILE H 1 35 ALA H . . 4.800 4.823 4.759 4.857 0.057 7 0 "[ . 1 . 2]" 1
782 1 32 ILE HA 1 32 ILE MD . . 3.950 3.824 3.744 3.933 . 0 0 "[ . 1 . 2]" 1
783 1 32 ILE HA 1 32 ILE HG12 . . 3.700 2.438 2.304 2.685 . 0 0 "[ . 1 . 2]" 1
784 1 32 ILE HA 1 32 ILE HG13 . . 4.000 2.905 2.793 3.010 . 0 0 "[ . 1 . 2]" 1
785 1 32 ILE HA 1 32 ILE MG . . 3.220 2.578 2.499 2.646 . 0 0 "[ . 1 . 2]" 1
786 1 32 ILE HA 1 33 THR HA . . 4.860 4.542 4.454 4.609 . 0 0 "[ . 1 . 2]" 1
787 1 32 ILE HA 1 33 THR HB . . 5.500 5.010 4.860 5.314 . 0 0 "[ . 1 . 2]" 1
788 1 32 ILE HA 1 34 ASN H . . 4.530 4.481 4.352 4.592 0.062 8 0 "[ . 1 . 2]" 1
789 1 32 ILE HB 1 32 ILE MD . . 3.680 2.452 2.330 2.569 . 0 0 "[ . 1 . 2]" 1
790 1 32 ILE HB 1 33 THR H . . 2.700 2.730 2.604 2.765 0.065 6 0 "[ . 1 . 2]" 1
791 1 32 ILE HB 1 33 THR HA . . 5.020 4.844 4.718 4.903 . 0 0 "[ . 1 . 2]" 1
792 1 32 ILE HG13 1 32 ILE MG . . 3.750 3.260 3.234 3.281 . 0 0 "[ . 1 . 2]" 1
793 1 32 ILE HG13 1 33 THR H . . 4.640 4.432 4.310 4.523 . 0 0 "[ . 1 . 2]" 1
794 1 32 ILE MG 1 33 THR H . . 3.370 3.329 3.152 3.442 0.072 2 0 "[ . 1 . 2]" 1
795 1 32 ILE MG 1 33 THR HA . . 4.230 3.716 3.521 3.844 . 0 0 "[ . 1 . 2]" 1
796 1 32 ILE MG 1 33 THR MG . . 3.530 3.501 3.087 3.629 0.099 3 0 "[ . 1 . 2]" 1
797 1 32 ILE MG 1 34 ASN H . . 4.980 4.900 4.743 5.018 0.038 13 0 "[ . 1 . 2]" 1
798 1 32 ILE MG 1 35 ALA MB . . 5.500 5.583 5.495 5.611 0.111 20 0 "[ . 1 . 2]" 1
799 1 33 THR H 1 33 THR HB . . 3.670 3.000 2.803 3.264 . 0 0 "[ . 1 . 2]" 1
800 1 33 THR H 1 33 THR MG . . 2.750 2.281 2.111 2.574 . 0 0 "[ . 1 . 2]" 1
801 1 33 THR H 1 34 ASN H . . 2.560 2.124 2.013 2.224 . 0 0 "[ . 1 . 2]" 1
802 1 33 THR H 1 34 ASN HA . . 4.520 4.258 4.172 4.342 . 0 0 "[ . 1 . 2]" 1
803 1 33 THR H 1 34 ASN HB2 . . 5.500 5.029 4.943 5.147 . 0 0 "[ . 1 . 2]" 1
804 1 33 THR H 1 34 ASN QB . . 4.710 4.668 4.621 4.721 0.011 13 0 "[ . 1 . 2]" 1
805 1 33 THR H 1 34 ASN HB3 . . 5.500 5.537 5.403 5.568 0.068 3 0 "[ . 1 . 2]" 1
806 1 33 THR H 1 35 ALA H . . 3.680 3.203 3.035 3.553 . 0 0 "[ . 1 . 2]" 1
807 1 33 THR H 1 35 ALA MB . . 4.340 4.010 3.882 4.138 . 0 0 "[ . 1 . 2]" 1
808 1 33 THR HA 1 33 THR HB . . 3.020 2.470 2.292 2.558 . 0 0 "[ . 1 . 2]" 1
809 1 33 THR HA 1 33 THR MG . . 3.350 3.229 3.209 3.249 . 0 0 "[ . 1 . 2]" 1
810 1 33 THR HA 1 35 ALA H . . 5.450 4.661 4.489 5.102 . 0 0 "[ . 1 . 2]" 1
811 1 33 THR HA 1 35 ALA MB . . 5.500 5.012 4.539 5.240 . 0 0 "[ . 1 . 2]" 1
812 1 33 THR HB 1 35 ALA H . . 5.330 4.969 4.649 5.383 0.053 1 0 "[ . 1 . 2]" 1
813 1 33 THR HB 1 35 ALA MB . . 4.450 4.454 4.074 4.514 0.064 13 0 "[ . 1 . 2]" 1
814 1 33 THR MG 1 34 ASN H . . 3.810 3.368 3.102 3.556 . 0 0 "[ . 1 . 2]" 1
815 1 33 THR MG 1 35 ALA H . . 3.980 2.628 2.231 3.051 . 0 0 "[ . 1 . 2]" 1
816 1 33 THR MG 1 35 ALA MB . . 3.860 1.968 1.904 2.054 . 0 0 "[ . 1 . 2]" 1
817 1 33 THR MG 1 36 SER H . . 5.500 5.024 4.865 5.150 . 0 0 "[ . 1 . 2]" 1
818 1 34 ASN H 1 34 ASN HA . . 2.400 2.241 2.202 2.261 . 0 0 "[ . 1 . 2]" 1
819 1 34 ASN H 1 34 ASN HB2 . . 3.870 3.115 3.035 3.270 . 0 0 "[ . 1 . 2]" 1
820 1 34 ASN H 1 34 ASN QB . . 3.240 2.977 2.911 3.105 . 0 0 "[ . 1 . 2]" 1
821 1 34 ASN H 1 34 ASN HB3 . . 3.870 3.787 3.643 3.885 0.015 16 0 "[ . 1 . 2]" 1
822 1 34 ASN H 1 35 ALA H . . 2.730 2.557 2.349 2.708 . 0 0 "[ . 1 . 2]" 1
823 1 34 ASN H 1 35 ALA HA . . 5.500 5.236 5.089 5.317 . 0 0 "[ . 1 . 2]" 1
824 1 34 ASN H 1 35 ALA MB . . 4.510 4.253 4.004 4.375 . 0 0 "[ . 1 . 2]" 1
825 1 34 ASN HA 1 35 ALA H . . 3.010 2.857 2.551 3.040 0.030 7 0 "[ . 1 . 2]" 1
826 1 34 ASN HA 1 35 ALA HA . . 4.930 4.663 4.503 4.728 . 0 0 "[ . 1 . 2]" 1
827 1 34 ASN HA 1 35 ALA MB . . 5.360 4.676 4.476 4.803 . 0 0 "[ . 1 . 2]" 1
828 1 34 ASN QB 1 35 ALA H . . 3.980 3.880 3.766 3.984 0.004 2 0 "[ . 1 . 2]" 1
829 1 34 ASN HB2 1 35 ALA H . . 4.550 4.542 4.454 4.600 0.050 11 0 "[ . 1 . 2]" 1
830 1 34 ASN HB3 1 35 ALA H . . 4.550 4.213 4.045 4.381 . 0 0 "[ . 1 . 2]" 1
831 1 35 ALA H 1 35 ALA HA . . 2.940 2.966 2.930 2.992 0.052 1 0 "[ . 1 . 2]" 1
832 1 35 ALA H 1 35 ALA MB . . 2.520 2.343 2.221 2.438 . 0 0 "[ . 1 . 2]" 1
833 1 35 ALA H 1 36 SER H . . 4.700 4.506 4.426 4.566 . 0 0 "[ . 1 . 2]" 1
834 1 35 ALA H 1 36 SER HA . . 5.270 5.200 4.939 5.323 0.053 7 0 "[ . 1 . 2]" 1
835 1 35 ALA H 1 36 SER HB3 . . 5.500 5.272 4.919 5.550 0.050 19 0 "[ . 1 . 2]" 1
836 1 35 ALA HA 1 36 SER H . . 2.700 2.558 2.441 2.629 . 0 0 "[ . 1 . 2]" 1
837 1 35 ALA HA 1 36 SER HA . . 5.060 4.612 4.537 4.676 . 0 0 "[ . 1 . 2]" 1
838 1 35 ALA MB 1 36 SER H . . 2.810 2.174 2.070 2.350 . 0 0 "[ . 1 . 2]" 1
839 1 35 ALA MB 1 36 SER HA . . 4.910 3.848 3.786 3.916 . 0 0 "[ . 1 . 2]" 1
840 1 35 ALA MB 1 37 GLN H . . 5.320 5.301 5.070 5.391 0.071 17 0 "[ . 1 . 2]" 1
841 1 36 SER H 1 36 SER HB2 . . 4.040 3.949 3.839 4.026 . 0 0 "[ . 1 . 2]" 1
842 1 36 SER H 1 36 SER HB3 . . 3.130 3.151 2.956 3.208 0.078 20 0 "[ . 1 . 2]" 1
843 1 36 SER H 1 37 GLN H . . 4.320 4.265 4.132 4.355 0.035 15 0 "[ . 1 . 2]" 1
844 1 36 SER H 1 37 GLN HA . . 5.120 4.758 4.596 4.849 . 0 0 "[ . 1 . 2]" 1
845 1 36 SER H 1 37 GLN HB2 . . 4.970 4.838 4.491 5.030 0.060 10 0 "[ . 1 . 2]" 1
846 1 36 SER HA 1 37 GLN H . . 2.460 2.361 2.260 2.478 0.018 14 0 "[ . 1 . 2]" 1
847 1 36 SER HA 1 37 GLN HA . . 5.130 4.492 4.416 4.572 . 0 0 "[ . 1 . 2]" 1
848 1 36 SER HA 1 37 GLN HB2 . . 5.020 4.192 3.966 4.365 . 0 0 "[ . 1 . 2]" 1
849 1 36 SER HB2 1 37 GLN H . . 3.650 3.002 2.661 3.620 . 0 0 "[ . 1 . 2]" 1
850 1 36 SER HB2 1 37 GLN HA . . 5.340 4.727 4.389 5.404 0.064 4 0 "[ . 1 . 2]" 1
851 1 36 SER HB3 1 37 GLN H . . 4.450 4.142 3.994 4.375 . 0 0 "[ . 1 . 2]" 1
852 1 36 SER HB3 1 37 GLN HA . . 5.500 5.543 5.286 5.575 0.075 7 0 "[ . 1 . 2]" 1
853 1 37 GLN H 1 37 GLN HB2 . . 3.120 2.983 2.822 3.155 0.035 15 0 "[ . 1 . 2]" 1
854 1 37 GLN H 1 38 TRP H . . 4.370 4.293 4.242 4.329 . 0 0 "[ . 1 . 2]" 1
855 1 37 GLN H 1 38 TRP HA . . 4.910 4.618 4.488 4.691 . 0 0 "[ . 1 . 2]" 1
856 1 37 GLN H 1 39 GLU H . . 5.500 5.502 5.250 5.559 0.059 17 0 "[ . 1 . 2]" 1
857 1 37 GLN HA 1 38 TRP H . . 2.700 2.491 2.319 2.619 . 0 0 "[ . 1 . 2]" 1
858 1 37 GLN HA 1 39 GLU H . . 4.400 4.228 4.042 4.416 0.016 5 0 "[ . 1 . 2]" 1
859 1 37 GLN HB2 1 38 TRP H . . 4.260 3.826 3.619 4.048 . 0 0 "[ . 1 . 2]" 1
860 1 37 GLN HB3 1 38 TRP H . . 3.580 2.455 2.162 2.844 . 0 0 "[ . 1 . 2]" 1
861 1 37 GLN HB3 1 38 TRP HA . . 5.200 4.447 4.293 4.601 . 0 0 "[ . 1 . 2]" 1
862 1 37 GLN HB3 1 38 TRP HD1 . . 4.760 4.605 4.144 4.819 0.059 16 0 "[ . 1 . 2]" 1
863 1 37 GLN HB3 1 39 GLU H . . 3.650 2.568 2.301 2.771 . 0 0 "[ . 1 . 2]" 1
864 1 38 TRP H 1 38 TRP HB2 . . 2.880 2.614 2.518 2.791 . 0 0 "[ . 1 . 2]" 1
865 1 38 TRP H 1 38 TRP HB3 . . 3.790 3.689 3.594 3.758 . 0 0 "[ . 1 . 2]" 1
866 1 38 TRP H 1 38 TRP HD1 . . 3.190 2.406 2.171 2.628 . 0 0 "[ . 1 . 2]" 1
867 1 38 TRP H 1 38 TRP HE1 . . 4.700 4.534 4.300 4.737 0.037 17 0 "[ . 1 . 2]" 1
868 1 38 TRP H 1 39 GLU H . . 2.600 2.068 1.860 2.184 . 0 0 "[ . 1 . 2]" 1
869 1 38 TRP H 1 39 GLU HA . . 5.130 4.817 4.663 4.922 . 0 0 "[ . 1 . 2]" 1
870 1 38 TRP H 1 39 GLU QB . . 4.450 4.123 3.615 4.441 . 0 0 "[ . 1 . 2]" 1
871 1 38 TRP H 1 39 GLU QG . . 5.340 3.604 3.076 4.552 . 0 0 "[ . 1 . 2]" 1
872 1 38 TRP HB2 1 38 TRP HE1 . . 4.970 4.790 4.745 4.862 . 0 0 "[ . 1 . 2]" 1
873 1 38 TRP HB2 1 39 GLU H . . 3.070 2.924 2.555 3.110 0.040 15 0 "[ . 1 . 2]" 1
874 1 38 TRP HB3 1 39 GLU H . . 4.200 4.043 3.792 4.208 0.008 2 0 "[ . 1 . 2]" 1
875 1 38 TRP HD1 1 39 GLU H . . 4.000 4.023 3.817 4.063 0.063 15 0 "[ . 1 . 2]" 1
876 1 39 GLU H 1 39 GLU QB . . 2.550 2.420 2.196 2.613 0.063 1 0 "[ . 1 . 2]" 1
877 1 39 GLU H 1 39 GLU HG2 . . 3.700 2.775 1.828 3.752 0.052 12 0 "[ . 1 . 2]" 1
878 1 39 GLU H 1 39 GLU QG . . 2.820 2.279 1.808 2.907 0.087 20 0 "[ . 1 . 2]" 1
879 1 39 GLU H 1 39 GLU HG3 . . 3.700 2.968 2.091 3.745 0.045 7 0 "[ . 1 . 2]" 1
880 1 39 GLU H 1 40 ARG H . . 4.620 4.625 4.534 4.669 0.049 3 0 "[ . 1 . 2]" 1
881 1 39 GLU HA 1 39 GLU HG2 . . 4.170 3.165 2.362 4.232 0.062 4 0 "[ . 1 . 2]" 1
882 1 39 GLU HA 1 39 GLU QG . . 3.570 2.875 2.273 3.510 . 0 0 "[ . 1 . 2]" 1
883 1 39 GLU HA 1 39 GLU HG3 . . 4.170 3.490 2.300 3.825 . 0 0 "[ . 1 . 2]" 1
884 1 39 GLU HA 1 40 ARG H . . 2.400 2.315 2.148 2.437 0.037 8 0 "[ . 1 . 2]" 1
885 1 39 GLU HA 1 40 ARG HA . . 5.030 4.345 4.278 4.411 . 0 0 "[ . 1 . 2]" 1
886 1 39 GLU QB 1 40 ARG H . . 3.170 2.837 2.639 3.200 0.030 19 0 "[ . 1 . 2]" 1
887 1 39 GLU QB 1 40 ARG HA . . 5.500 4.680 4.466 4.931 . 0 0 "[ . 1 . 2]" 1
888 1 39 GLU QG 1 40 ARG H . . 4.770 4.135 3.743 4.684 . 0 0 "[ . 1 . 2]" 1
889 1 39 GLU HG2 1 40 ARG H . . 5.500 4.733 4.005 5.172 . 0 0 "[ . 1 . 2]" 1
890 1 39 GLU HG3 1 40 ARG H . . 5.500 4.738 3.882 5.382 . 0 0 "[ . 1 . 2]" 1
891 1 40 ARG H 1 40 ARG QB . . 2.440 2.257 2.131 2.399 . 0 0 "[ . 1 . 2]" 1
892 1 40 ARG H 1 40 ARG QD . . 4.150 3.764 3.345 4.221 0.071 12 0 "[ . 1 . 2]" 1
893 1 40 ARG H 1 40 ARG HG2 . . 4.040 3.920 3.742 4.053 0.013 5 0 "[ . 1 . 2]" 1
894 1 40 ARG H 1 40 ARG HG3 . . 3.500 2.685 2.419 2.926 . 0 0 "[ . 1 . 2]" 1
895 1 40 ARG H 1 41 PRO HD2 . . 5.500 4.853 4.757 5.000 . 0 0 "[ . 1 . 2]" 1
896 1 40 ARG H 1 41 PRO HD3 . . 4.670 4.603 4.511 4.713 0.043 8 0 "[ . 1 . 2]" 1
897 1 40 ARG HA 1 40 ARG QD . . 4.590 4.051 3.919 4.124 . 0 0 "[ . 1 . 2]" 1
898 1 40 ARG HA 1 40 ARG HG2 . . 3.770 2.496 2.350 2.755 . 0 0 "[ . 1 . 2]" 1
899 1 40 ARG HA 1 40 ARG HG3 . . 3.970 2.614 2.521 2.696 . 0 0 "[ . 1 . 2]" 1
900 1 40 ARG HA 1 41 PRO HD2 . . 3.130 2.135 2.066 2.418 . 0 0 "[ . 1 . 2]" 1
901 1 40 ARG HA 1 41 PRO HD3 . . 3.150 2.388 2.054 2.527 . 0 0 "[ . 1 . 2]" 1
902 1 40 ARG HA 1 41 PRO HG2 . . 5.320 4.339 4.287 4.468 . 0 0 "[ . 1 . 2]" 1
903 1 40 ARG HA 1 41 PRO HG3 . . 5.150 4.438 4.272 4.522 . 0 0 "[ . 1 . 2]" 1
904 1 40 ARG QB 1 40 ARG QD . . 3.470 2.293 2.051 2.457 . 0 0 "[ . 1 . 2]" 1
905 1 40 ARG QB 1 41 PRO HD2 . . 4.270 3.357 2.880 3.592 . 0 0 "[ . 1 . 2]" 1
906 1 40 ARG QB 1 41 PRO HD3 . . 4.730 4.227 3.812 4.378 . 0 0 "[ . 1 . 2]" 1
907 1 40 ARG HG2 1 41 PRO HD2 . . 3.940 3.488 3.095 3.805 . 0 0 "[ . 1 . 2]" 1
908 1 40 ARG HG2 1 41 PRO HD3 . . 4.810 4.575 3.773 4.861 0.051 4 0 "[ . 1 . 2]" 1
909 1 40 ARG HG3 1 41 PRO HD2 . . 4.370 4.411 4.341 4.437 0.067 2 0 "[ . 1 . 2]" 1
910 1 40 ARG HG3 1 41 PRO HD3 . . 5.080 4.918 4.575 5.122 0.042 11 0 "[ . 1 . 2]" 1
911 1 41 PRO HA 1 42 SER H . . 2.770 2.561 2.429 2.742 . 0 0 "[ . 1 . 2]" 1
912 1 41 PRO HA 1 42 SER HA . . 4.660 4.608 4.540 4.663 0.003 9 0 "[ . 1 . 2]" 1
913 1 41 PRO HA 1 42 SER QB . . 4.620 4.181 3.750 4.558 . 0 0 "[ . 1 . 2]" 1
914 1 41 PRO HB2 1 42 SER H . . 4.200 2.300 2.037 2.562 . 0 0 "[ . 1 . 2]" 1
915 1 41 PRO HB2 1 43 GLY H . . 4.780 4.445 3.367 4.851 0.071 7 0 "[ . 1 . 2]" 1
916 1 41 PRO HB3 1 42 SER H . . 4.060 3.375 3.187 3.532 . 0 0 "[ . 1 . 2]" 1
917 1 41 PRO HB3 1 42 SER HA . . 5.500 5.556 5.529 5.566 0.066 14 0 "[ . 1 . 2]" 1
918 1 41 PRO HD3 1 42 SER H . . 5.500 5.467 5.375 5.542 0.042 14 0 "[ . 1 . 2]" 1
919 1 41 PRO HG2 1 43 GLY H . . 5.450 5.032 3.886 5.497 0.047 18 0 "[ . 1 . 2]" 1
920 1 41 PRO HG3 1 42 SER H . . 5.500 4.882 4.693 5.096 . 0 0 "[ . 1 . 2]" 1
921 1 42 SER H 1 42 SER HB2 . . 3.890 3.397 2.724 3.939 0.049 16 0 "[ . 1 . 2]" 1
922 1 42 SER H 1 42 SER QB . . 3.380 2.957 2.646 3.343 . 0 0 "[ . 1 . 2]" 1
923 1 42 SER H 1 42 SER HB3 . . 3.890 3.387 2.757 3.941 0.051 14 0 "[ . 1 . 2]" 1
924 1 42 SER H 1 43 GLY H . . 3.900 3.750 3.127 3.969 0.069 19 0 "[ . 1 . 2]" 1
925 1 42 SER HA 1 43 GLY H . . 2.710 2.161 1.991 2.401 . 0 0 "[ . 1 . 2]" 1
926 1 42 SER QB 1 43 GLY H . . 4.410 3.615 3.065 4.073 . 0 0 "[ . 1 . 2]" 1
927 1 42 SER HB2 1 43 GLY H . . 5.020 4.091 3.196 4.648 . 0 0 "[ . 1 . 2]" 1
928 1 42 SER HB3 1 43 GLY H . . 5.020 4.137 3.297 4.636 . 0 0 "[ . 1 . 2]" 1
929 1 43 GLY H 1 43 GLY QA . . 2.800 2.305 2.196 2.487 . 0 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Saturday, June 1, 2024 2:30:17 AM GMT (wattos1)