NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
416484 |
2dk1   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2dk1
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 647
_Distance_constraint_stats_list.Viol_count 1137
_Distance_constraint_stats_list.Viol_total 1371.215
_Distance_constraint_stats_list.Viol_max 0.551
_Distance_constraint_stats_list.Viol_rms 0.0318
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0053
_Distance_constraint_stats_list.Viol_average_violations_only 0.0603
_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 7 GLY 6.781 0.321 18 0 "[ . 1 . 2]"
1 8 ARG 9.465 0.321 18 0 "[ . 1 . 2]"
1 9 TRP 3.462 0.089 11 0 "[ . 1 . 2]"
1 10 VAL 0.987 0.048 17 0 "[ . 1 . 2]"
1 11 GLU 1.141 0.048 14 0 "[ . 1 . 2]"
1 12 GLY 0.617 0.054 19 0 "[ . 1 . 2]"
1 13 ILE 4.743 0.120 19 0 "[ . 1 . 2]"
1 14 THR 0.541 0.042 8 0 "[ . 1 . 2]"
1 15 SER 0.328 0.035 9 0 "[ . 1 . 2]"
1 16 GLU 2.193 0.085 8 0 "[ . 1 . 2]"
1 17 GLY 4.560 0.120 19 0 "[ . 1 . 2]"
1 18 TYR 0.324 0.023 12 0 "[ . 1 . 2]"
1 19 HIS 1.872 0.094 14 0 "[ . 1 . 2]"
1 20 TYR 7.355 0.464 19 0 "[ . 1 . 2]"
1 21 TYR 0.696 0.031 12 0 "[ . 1 . 2]"
1 22 TYR 2.563 0.061 8 0 "[ . 1 . 2]"
1 23 ASP 6.388 0.319 17 0 "[ . 1 . 2]"
1 24 LEU 13.740 0.319 17 0 "[ . 1 . 2]"
1 25 ILE 10.577 0.278 8 0 "[ . 1 . 2]"
1 26 SER 7.245 0.278 8 0 "[ . 1 . 2]"
1 27 GLY 3.868 0.163 17 0 "[ . 1 . 2]"
1 28 ALA 2.781 0.163 17 0 "[ . 1 . 2]"
1 29 SER 0.092 0.015 3 0 "[ . 1 . 2]"
1 30 GLN 5.212 0.411 1 0 "[ . 1 . 2]"
1 31 TRP 4.801 0.464 19 0 "[ . 1 . 2]"
1 32 GLU 2.671 0.126 15 0 "[ . 1 . 2]"
1 33 LYS 1.655 0.093 20 0 "[ . 1 . 2]"
1 34 PRO 6.062 0.434 8 0 "[ . 1 . 2]"
1 35 GLU 2.486 0.382 7 0 "[ . 1 . 2]"
1 36 GLY 2.401 0.382 7 0 "[ . 1 . 2]"
1 37 PHE 6.474 0.551 3 3 "[ + . 1 - . * 2]"
1 38 GLN 3.057 0.551 3 3 "[ + . 1 - . * 2]"
1 39 GLY 0.005 0.003 2 0 "[ . 1 . 2]"
1 40 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 LEU 2.566 0.465 14 0 "[ . 1 . 2]"
1 42 LYS 0.153 0.090 12 0 "[ . 1 . 2]"
1 43 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 7 GLY HA2 1 8 ARG H . . 3.570 2.353 2.333 2.395 . 0 0 "[ . 1 . 2]" 1
2 1 7 GLY HA2 1 8 ARG HA . . 4.680 4.386 4.367 4.395 . 0 0 "[ . 1 . 2]" 1
3 1 7 GLY HA2 1 8 ARG QB . . 4.380 4.680 4.668 4.701 0.321 18 0 "[ . 1 . 2]" 1
4 1 7 GLY HA2 1 8 ARG QG . . 4.570 3.037 3.023 3.058 . 0 0 "[ . 1 . 2]" 1
5 1 7 GLY HA2 1 9 TRP HD1 . . 4.550 3.843 3.804 3.899 . 0 0 "[ . 1 . 2]" 1
6 1 7 GLY HA2 1 9 TRP HE1 . . 3.990 3.464 3.340 3.574 . 0 0 "[ . 1 . 2]" 1
7 1 7 GLY HA2 1 25 ILE MD . . 4.250 3.382 3.268 3.470 . 0 0 "[ . 1 . 2]" 1
8 1 7 GLY HA2 1 25 ILE HG12 . . 4.830 4.371 4.300 4.471 . 0 0 "[ . 1 . 2]" 1
9 1 7 GLY HA3 1 8 ARG HA . . 4.900 4.370 4.361 4.396 . 0 0 "[ . 1 . 2]" 1
10 1 7 GLY HA3 1 8 ARG QB . . 5.300 5.317 5.285 5.342 0.042 18 0 "[ . 1 . 2]" 1
11 1 7 GLY HA3 1 9 TRP H . . 5.100 5.121 5.110 5.127 0.027 13 0 "[ . 1 . 2]" 1
12 1 7 GLY HA3 1 9 TRP HD1 . . 4.800 3.117 3.046 3.144 . 0 0 "[ . 1 . 2]" 1
13 1 7 GLY HA3 1 9 TRP HE1 . . 4.000 3.214 3.097 3.359 . 0 0 "[ . 1 . 2]" 1
14 1 7 GLY HA3 1 25 ILE MD . . 4.600 4.223 4.136 4.305 . 0 0 "[ . 1 . 2]" 1
15 1 8 ARG H 1 8 ARG QB . . 3.520 2.955 2.935 2.969 . 0 0 "[ . 1 . 2]" 1
16 1 8 ARG H 1 8 ARG QD . . 5.080 3.252 3.134 3.315 . 0 0 "[ . 1 . 2]" 1
17 1 8 ARG H 1 8 ARG QG . . 4.170 2.215 2.081 2.262 . 0 0 "[ . 1 . 2]" 1
18 1 8 ARG H 1 9 TRP H . . 4.030 3.966 3.946 4.030 . 18 0 "[ . 1 . 2]" 1
19 1 8 ARG H 1 9 TRP HA . . 5.450 4.811 4.800 4.871 . 0 0 "[ . 1 . 2]" 1
20 1 8 ARG H 1 9 TRP HD1 . . 5.400 2.450 2.390 2.575 . 0 0 "[ . 1 . 2]" 1
21 1 8 ARG H 1 9 TRP HE1 . . 5.500 2.949 2.888 3.059 . 0 0 "[ . 1 . 2]" 1
22 1 8 ARG H 1 24 LEU H . . 5.260 5.098 5.040 5.143 . 0 0 "[ . 1 . 2]" 1
23 1 8 ARG H 1 25 ILE HB . . 5.500 5.128 5.064 5.198 . 0 0 "[ . 1 . 2]" 1
24 1 8 ARG H 1 25 ILE MD . . 3.980 1.878 1.865 1.890 . 0 0 "[ . 1 . 2]" 1
25 1 8 ARG H 1 25 ILE HG12 . . 3.930 3.752 3.662 3.875 . 0 0 "[ . 1 . 2]" 1
26 1 8 ARG H 1 25 ILE HG13 . . 3.950 3.828 3.784 3.935 . 0 0 "[ . 1 . 2]" 1
27 1 8 ARG HA 1 8 ARG QD . . 4.010 2.470 2.391 2.616 . 0 0 "[ . 1 . 2]" 1
28 1 8 ARG HA 1 8 ARG QG . . 3.500 3.225 3.212 3.234 . 0 0 "[ . 1 . 2]" 1
29 1 8 ARG HA 1 9 TRP H . . 3.280 2.254 2.252 2.256 . 0 0 "[ . 1 . 2]" 1
30 1 8 ARG HA 1 9 TRP HA . . 5.500 4.400 4.399 4.401 . 0 0 "[ . 1 . 2]" 1
31 1 8 ARG HA 1 9 TRP HD1 . . 4.850 3.283 3.254 3.311 . 0 0 "[ . 1 . 2]" 1
32 1 8 ARG HA 1 24 LEU H . . 5.500 5.268 5.213 5.324 . 0 0 "[ . 1 . 2]" 1
33 1 8 ARG HA 1 24 LEU MD1 . . 3.930 3.909 3.812 3.946 0.016 4 0 "[ . 1 . 2]" 1
34 1 8 ARG HA 1 24 LEU MD2 . . 4.260 3.886 3.793 3.948 . 0 0 "[ . 1 . 2]" 1
35 1 8 ARG HA 1 25 ILE MD . . 4.250 3.583 3.568 3.613 . 0 0 "[ . 1 . 2]" 1
36 1 8 ARG HA 1 25 ILE HG13 . . 5.490 5.048 4.929 5.126 . 0 0 "[ . 1 . 2]" 1
37 1 8 ARG QB 1 8 ARG QD . . 3.150 2.247 2.198 2.281 . 0 0 "[ . 1 . 2]" 1
38 1 8 ARG QB 1 9 TRP H . . 4.210 3.647 3.641 3.654 . 0 0 "[ . 1 . 2]" 1
39 1 8 ARG QB 1 9 TRP HD1 . . 5.110 4.235 4.211 4.272 . 0 0 "[ . 1 . 2]" 1
40 1 8 ARG QB 1 23 ASP HA . . 4.310 4.302 4.264 4.334 0.024 18 0 "[ . 1 . 2]" 1
41 1 8 ARG QB 1 24 LEU H . . 3.920 2.985 2.946 3.030 . 0 0 "[ . 1 . 2]" 1
42 1 8 ARG QB 1 24 LEU MD1 . . 3.100 2.002 1.951 2.058 . 0 0 "[ . 1 . 2]" 1
43 1 8 ARG QB 1 24 LEU MD2 . . 3.150 2.880 2.836 2.929 . 0 0 "[ . 1 . 2]" 1
44 1 8 ARG QB 1 24 LEU HG . . 2.870 1.962 1.945 2.005 . 0 0 "[ . 1 . 2]" 1
45 1 8 ARG QB 1 25 ILE H . . 3.780 2.794 2.705 2.850 . 0 0 "[ . 1 . 2]" 1
46 1 8 ARG QB 1 25 ILE HA . . 5.280 4.027 3.917 4.077 . 0 0 "[ . 1 . 2]" 1
47 1 8 ARG QB 1 25 ILE HB . . 4.580 4.452 4.360 4.509 . 0 0 "[ . 1 . 2]" 1
48 1 8 ARG QB 1 25 ILE MD . . 3.330 1.952 1.941 1.963 . 0 0 "[ . 1 . 2]" 1
49 1 8 ARG QB 1 25 ILE HG12 . . 3.730 3.713 3.636 3.745 0.015 17 0 "[ . 1 . 2]" 1
50 1 8 ARG QB 1 25 ILE HG13 . . 3.840 2.461 2.328 2.510 . 0 0 "[ . 1 . 2]" 1
51 1 8 ARG QD 1 9 TRP H . . 5.260 4.486 4.433 4.577 . 0 0 "[ . 1 . 2]" 1
52 1 8 ARG QD 1 9 TRP HD1 . . 5.000 4.742 4.719 4.764 . 0 0 "[ . 1 . 2]" 1
53 1 8 ARG QD 1 24 LEU MD1 . . 3.750 3.772 3.745 3.787 0.037 10 0 "[ . 1 . 2]" 1
54 1 8 ARG QD 1 24 LEU MD2 . . 5.200 4.967 4.900 5.017 . 0 0 "[ . 1 . 2]" 1
55 1 8 ARG QD 1 25 ILE MD . . 3.670 3.710 3.692 3.721 0.051 15 0 "[ . 1 . 2]" 1
56 1 8 ARG QD 1 25 ILE HG12 . . 4.760 4.437 4.343 4.521 . 0 0 "[ . 1 . 2]" 1
57 1 8 ARG QD 1 25 ILE HG13 . . 4.480 4.139 4.063 4.211 . 0 0 "[ . 1 . 2]" 1
58 1 8 ARG QG 1 9 TRP HD1 . . 4.440 4.442 4.409 4.463 0.023 3 0 "[ . 1 . 2]" 1
59 1 8 ARG QG 1 9 TRP HE1 . . 4.740 4.815 4.803 4.829 0.089 11 0 "[ . 1 . 2]" 1
60 1 8 ARG QG 1 24 LEU H . . 4.900 4.674 4.644 4.701 . 0 0 "[ . 1 . 2]" 1
61 1 8 ARG QG 1 24 LEU MD1 . . 3.830 3.439 3.358 3.547 . 0 0 "[ . 1 . 2]" 1
62 1 8 ARG QG 1 24 LEU HG . . 3.720 3.700 3.654 3.734 0.014 14 0 "[ . 1 . 2]" 1
63 1 8 ARG QG 1 25 ILE H . . 4.250 3.744 3.696 3.798 . 0 0 "[ . 1 . 2]" 1
64 1 8 ARG QG 1 25 ILE HB . . 4.960 4.370 4.281 4.441 . 0 0 "[ . 1 . 2]" 1
65 1 8 ARG QG 1 25 ILE MD . . 2.980 2.130 2.082 2.162 . 0 0 "[ . 1 . 2]" 1
66 1 8 ARG QG 1 25 ILE HG13 . . 4.670 1.997 1.920 2.064 . 0 0 "[ . 1 . 2]" 1
67 1 9 TRP H 1 9 TRP HB2 . . 3.480 2.806 2.791 2.820 . 0 0 "[ . 1 . 2]" 1
68 1 9 TRP H 1 9 TRP HB3 . . 3.910 3.852 3.844 3.858 . 0 0 "[ . 1 . 2]" 1
69 1 9 TRP H 1 9 TRP HD1 . . 3.770 2.785 2.748 2.822 . 0 0 "[ . 1 . 2]" 1
70 1 9 TRP H 1 9 TRP HE1 . . 5.470 5.362 5.324 5.401 . 0 0 "[ . 1 . 2]" 1
71 1 9 TRP H 1 10 VAL H . . 5.210 4.407 4.398 4.412 . 0 0 "[ . 1 . 2]" 1
72 1 9 TRP H 1 23 ASP HA . . 5.500 5.123 5.053 5.183 . 0 0 "[ . 1 . 2]" 1
73 1 9 TRP H 1 24 LEU MD1 . . 5.250 4.614 4.462 4.685 . 0 0 "[ . 1 . 2]" 1
74 1 9 TRP HA 1 9 TRP HD1 . . 5.130 3.719 3.702 3.741 . 0 0 "[ . 1 . 2]" 1
75 1 9 TRP HA 1 9 TRP HE3 . . 3.870 3.900 3.872 3.916 0.046 9 0 "[ . 1 . 2]" 1
76 1 9 TRP HA 1 10 VAL H . . 3.330 2.499 2.407 2.576 . 0 0 "[ . 1 . 2]" 1
77 1 9 TRP HA 1 10 VAL MG1 . . 5.170 3.952 3.813 4.059 . 0 0 "[ . 1 . 2]" 1
78 1 9 TRP HA 1 10 VAL MG2 . . 4.320 3.037 2.946 3.145 . 0 0 "[ . 1 . 2]" 1
79 1 9 TRP HA 1 23 ASP HA . . 3.720 2.565 2.442 2.651 . 0 0 "[ . 1 . 2]" 1
80 1 9 TRP HA 1 24 LEU H . . 4.370 3.471 3.377 3.541 . 0 0 "[ . 1 . 2]" 1
81 1 9 TRP HA 1 24 LEU MD2 . . 4.800 2.359 2.202 2.479 . 0 0 "[ . 1 . 2]" 1
82 1 9 TRP HA 1 24 LEU HG . . 5.080 4.169 4.054 4.255 . 0 0 "[ . 1 . 2]" 1
83 1 9 TRP HB2 1 9 TRP HD1 . . 3.790 2.997 2.986 3.005 . 0 0 "[ . 1 . 2]" 1
84 1 9 TRP HB2 1 9 TRP HE3 . . 4.020 3.785 3.777 3.797 . 0 0 "[ . 1 . 2]" 1
85 1 9 TRP HB2 1 10 VAL H . . 4.600 3.553 3.384 3.739 . 0 0 "[ . 1 . 2]" 1
86 1 9 TRP HB2 1 34 PRO HG2 . . 5.500 3.128 2.087 3.653 . 0 0 "[ . 1 . 2]" 1
87 1 9 TRP HB2 1 37 PHE HA . . 5.310 4.030 3.188 4.345 . 0 0 "[ . 1 . 2]" 1
88 1 9 TRP HB2 1 37 PHE HB2 . . 4.820 3.820 3.348 4.338 . 0 0 "[ . 1 . 2]" 1
89 1 9 TRP HB2 1 37 PHE QD . . 4.310 2.043 1.995 2.339 . 0 0 "[ . 1 . 2]" 1
90 1 9 TRP HB2 1 37 PHE QE . . 4.560 2.829 2.312 3.636 . 0 0 "[ . 1 . 2]" 1
91 1 9 TRP HB3 1 9 TRP HE3 . . 3.800 2.332 2.331 2.334 . 0 0 "[ . 1 . 2]" 1
92 1 9 TRP HB3 1 10 VAL H . . 4.630 2.492 2.349 2.693 . 0 0 "[ . 1 . 2]" 1
93 1 9 TRP HB3 1 21 TYR HB2 . . 4.920 4.160 3.967 4.570 . 0 0 "[ . 1 . 2]" 1
94 1 9 TRP HB3 1 23 ASP HA . . 5.500 4.102 4.007 4.169 . 0 0 "[ . 1 . 2]" 1
95 1 9 TRP HB3 1 34 PRO HG2 . . 5.500 3.716 2.961 4.127 . 0 0 "[ . 1 . 2]" 1
96 1 9 TRP HB3 1 37 PHE QD . . 4.050 3.592 3.216 3.825 . 0 0 "[ . 1 . 2]" 1
97 1 9 TRP HB3 1 37 PHE QE . . 4.410 3.504 2.767 3.984 . 0 0 "[ . 1 . 2]" 1
98 1 9 TRP HD1 1 34 PRO HB2 . . 5.410 4.382 3.529 4.803 . 0 0 "[ . 1 . 2]" 1
99 1 9 TRP HD1 1 37 PHE HA . . 4.920 4.715 3.594 4.932 0.012 12 0 "[ . 1 . 2]" 1
100 1 9 TRP HE1 1 34 PRO HB2 . . 4.290 3.584 3.337 4.034 . 0 0 "[ . 1 . 2]" 1
101 1 9 TRP HE1 1 34 PRO HB3 . . 4.320 4.235 3.862 4.338 0.018 13 0 "[ . 1 . 2]" 1
102 1 9 TRP HE1 1 34 PRO HG2 . . 5.500 4.330 3.650 5.446 . 0 0 "[ . 1 . 2]" 1
103 1 9 TRP HE3 1 10 VAL H . . 4.130 4.001 3.937 4.141 0.011 12 0 "[ . 1 . 2]" 1
104 1 9 TRP HE3 1 21 TYR HA . . 4.490 4.263 4.138 4.499 0.009 12 0 "[ . 1 . 2]" 1
105 1 9 TRP HE3 1 21 TYR HB2 . . 4.060 2.915 2.811 3.173 . 0 0 "[ . 1 . 2]" 1
106 1 9 TRP HE3 1 21 TYR HB3 . . 4.210 2.475 2.326 2.712 . 0 0 "[ . 1 . 2]" 1
107 1 9 TRP HE3 1 21 TYR QD . . 4.790 4.487 4.392 4.675 . 0 0 "[ . 1 . 2]" 1
108 1 9 TRP HE3 1 22 TYR H . . 4.120 3.859 3.300 4.129 0.009 1 0 "[ . 1 . 2]" 1
109 1 9 TRP HE3 1 22 TYR HA . . 5.380 3.863 3.660 4.041 . 0 0 "[ . 1 . 2]" 1
110 1 9 TRP HE3 1 23 ASP H . . 5.290 4.766 4.608 4.890 . 0 0 "[ . 1 . 2]" 1
111 1 9 TRP HE3 1 23 ASP HA . . 4.700 4.129 4.044 4.216 . 0 0 "[ . 1 . 2]" 1
112 1 9 TRP HE3 1 30 GLN HB3 . . 5.500 4.318 3.837 4.670 . 0 0 "[ . 1 . 2]" 1
113 1 9 TRP HH2 1 28 ALA MB . . 3.830 3.325 3.182 3.401 . 0 0 "[ . 1 . 2]" 1
114 1 9 TRP HH2 1 29 SER H . . 5.390 4.842 4.643 5.110 . 0 0 "[ . 1 . 2]" 1
115 1 9 TRP HH2 1 30 GLN HB2 . . 4.620 3.834 3.543 4.435 . 0 0 "[ . 1 . 2]" 1
116 1 9 TRP HH2 1 30 GLN HB3 . . 4.080 3.188 2.845 3.739 . 0 0 "[ . 1 . 2]" 1
117 1 9 TRP HZ2 1 23 ASP QB . . 5.290 4.743 3.824 4.835 . 0 0 "[ . 1 . 2]" 1
118 1 9 TRP HZ2 1 25 ILE MD . . 5.500 4.198 4.106 4.268 . 0 0 "[ . 1 . 2]" 1
119 1 9 TRP HZ2 1 28 ALA MB . . 4.230 4.258 4.247 4.263 0.033 6 0 "[ . 1 . 2]" 1
120 1 9 TRP HZ2 1 34 PRO HB2 . . 4.840 3.958 3.411 4.785 . 0 0 "[ . 1 . 2]" 1
121 1 9 TRP HZ2 1 34 PRO HB3 . . 4.710 3.363 2.980 3.896 . 0 0 "[ . 1 . 2]" 1
122 1 9 TRP HZ3 1 21 TYR HB2 . . 4.930 3.694 3.541 4.028 . 0 0 "[ . 1 . 2]" 1
123 1 9 TRP HZ3 1 21 TYR HB3 . . 5.190 4.351 3.983 4.649 . 0 0 "[ . 1 . 2]" 1
124 1 9 TRP HZ3 1 22 TYR HA . . 4.520 4.306 4.058 4.511 . 0 0 "[ . 1 . 2]" 1
125 1 9 TRP HZ3 1 28 ALA MB . . 4.310 3.975 3.645 4.197 . 0 0 "[ . 1 . 2]" 1
126 1 9 TRP HZ3 1 29 SER H . . 4.580 4.576 4.500 4.595 0.015 3 0 "[ . 1 . 2]" 1
127 1 9 TRP HZ3 1 29 SER HA . . 4.590 3.339 3.185 3.596 . 0 0 "[ . 1 . 2]" 1
128 1 9 TRP HZ3 1 30 GLN H . . 4.600 3.172 2.887 3.684 . 0 0 "[ . 1 . 2]" 1
129 1 9 TRP HZ3 1 30 GLN HB2 . . 4.160 3.654 3.185 4.009 . 0 0 "[ . 1 . 2]" 1
130 1 9 TRP HZ3 1 30 GLN HB3 . . 3.940 2.213 2.021 2.647 . 0 0 "[ . 1 . 2]" 1
131 1 10 VAL H 1 10 VAL MG1 . . 4.190 3.483 3.358 3.577 . 0 0 "[ . 1 . 2]" 1
132 1 10 VAL H 1 10 VAL MG2 . . 3.690 2.221 2.106 2.321 . 0 0 "[ . 1 . 2]" 1
133 1 10 VAL H 1 11 GLU H . . 5.200 4.238 4.114 4.323 . 0 0 "[ . 1 . 2]" 1
134 1 10 VAL H 1 23 ASP HA . . 4.570 4.240 3.918 4.428 . 0 0 "[ . 1 . 2]" 1
135 1 10 VAL HA 1 10 VAL MG1 . . 3.420 2.097 2.034 2.229 . 0 0 "[ . 1 . 2]" 1
136 1 10 VAL HA 1 11 GLU H . . 3.640 2.221 2.184 2.269 . 0 0 "[ . 1 . 2]" 1
137 1 10 VAL HA 1 11 GLU HB2 . . 4.910 4.482 4.413 4.573 . 0 0 "[ . 1 . 2]" 1
138 1 10 VAL HA 1 37 PHE QD . . 4.800 4.745 4.390 4.821 0.021 5 0 "[ . 1 . 2]" 1
139 1 10 VAL HA 1 37 PHE QE . . 4.710 2.482 2.320 2.677 . 0 0 "[ . 1 . 2]" 1
140 1 10 VAL HA 1 37 PHE HZ . . 4.860 3.268 2.870 4.310 . 0 0 "[ . 1 . 2]" 1
141 1 10 VAL HB 1 11 GLU H . . 3.630 3.297 3.059 3.546 . 0 0 "[ . 1 . 2]" 1
142 1 10 VAL HB 1 22 TYR QB . . 4.710 4.357 4.238 4.510 . 0 0 "[ . 1 . 2]" 1
143 1 10 VAL MG1 1 11 GLU H . . 3.890 3.592 3.483 3.737 . 0 0 "[ . 1 . 2]" 1
144 1 10 VAL MG1 1 22 TYR QB . . 4.770 4.782 4.721 4.796 0.026 14 0 "[ . 1 . 2]" 1
145 1 10 VAL MG1 1 22 TYR QD . . 4.520 3.993 3.890 4.063 . 0 0 "[ . 1 . 2]" 1
146 1 10 VAL MG1 1 22 TYR QE . . 5.080 4.967 4.833 5.076 . 0 0 "[ . 1 . 2]" 1
147 1 10 VAL MG1 1 24 LEU H . . 5.280 5.136 4.909 5.283 0.003 17 0 "[ . 1 . 2]" 1
148 1 10 VAL MG1 1 37 PHE HZ . . 5.470 4.796 4.491 5.479 0.009 15 0 "[ . 1 . 2]" 1
149 1 10 VAL MG2 1 11 GLU H . . 4.510 4.261 4.140 4.359 . 0 0 "[ . 1 . 2]" 1
150 1 10 VAL MG2 1 21 TYR QD . . 5.500 5.350 5.110 5.476 . 0 0 "[ . 1 . 2]" 1
151 1 10 VAL MG2 1 22 TYR QB . . 3.640 2.107 2.012 2.205 . 0 0 "[ . 1 . 2]" 1
152 1 10 VAL MG2 1 22 TYR QD . . 3.430 1.873 1.850 1.885 . 0 0 "[ . 1 . 2]" 1
153 1 10 VAL MG2 1 22 TYR QE . . 3.390 3.417 3.404 3.438 0.048 17 0 "[ . 1 . 2]" 1
154 1 10 VAL MG2 1 23 ASP HA . . 4.240 4.000 3.828 4.114 . 0 0 "[ . 1 . 2]" 1
155 1 10 VAL MG2 1 24 LEU H . . 5.350 4.088 3.903 4.162 . 0 0 "[ . 1 . 2]" 1
156 1 10 VAL MG2 1 24 LEU HA . . 5.500 4.897 4.648 4.975 . 0 0 "[ . 1 . 2]" 1
157 1 11 GLU H 1 11 GLU HB2 . . 3.590 2.697 2.626 2.771 . 0 0 "[ . 1 . 2]" 1
158 1 11 GLU H 1 11 GLU HB3 . . 3.790 2.432 2.373 2.480 . 0 0 "[ . 1 . 2]" 1
159 1 11 GLU H 1 11 GLU HG2 . . 4.590 4.374 4.310 4.437 . 0 0 "[ . 1 . 2]" 1
160 1 11 GLU H 1 11 GLU HG3 . . 4.580 4.503 4.455 4.595 0.015 8 0 "[ . 1 . 2]" 1
161 1 11 GLU H 1 12 GLY H . . 5.300 4.520 4.430 4.566 . 0 0 "[ . 1 . 2]" 1
162 1 11 GLU H 1 37 PHE QE . . 5.500 3.254 2.247 3.639 . 0 0 "[ . 1 . 2]" 1
163 1 11 GLU H 1 37 PHE HZ . . 4.690 2.327 2.071 3.072 . 0 0 "[ . 1 . 2]" 1
164 1 11 GLU HA 1 11 GLU HG2 . . 4.040 3.167 2.847 3.325 . 0 0 "[ . 1 . 2]" 1
165 1 11 GLU HA 1 11 GLU HG3 . . 3.290 2.520 2.391 2.821 . 0 0 "[ . 1 . 2]" 1
166 1 11 GLU HA 1 12 GLY H . . 3.570 2.223 2.202 2.260 . 0 0 "[ . 1 . 2]" 1
167 1 11 GLU HA 1 12 GLY HA2 . . 5.000 4.441 4.426 4.465 . 0 0 "[ . 1 . 2]" 1
168 1 11 GLU HA 1 20 TYR H . . 5.500 4.811 4.639 4.990 . 0 0 "[ . 1 . 2]" 1
169 1 11 GLU HA 1 20 TYR QD . . 5.500 5.058 4.341 5.286 . 0 0 "[ . 1 . 2]" 1
170 1 11 GLU HA 1 21 TYR HA . . 3.900 2.540 2.188 2.732 . 0 0 "[ . 1 . 2]" 1
171 1 11 GLU HA 1 21 TYR QD . . 4.300 2.240 2.008 2.872 . 0 0 "[ . 1 . 2]" 1
172 1 11 GLU HA 1 21 TYR QE . . 4.530 3.686 3.457 4.128 . 0 0 "[ . 1 . 2]" 1
173 1 11 GLU HA 1 22 TYR H . . 4.900 3.925 3.609 4.139 . 0 0 "[ . 1 . 2]" 1
174 1 11 GLU HB2 1 12 GLY H . . 4.670 4.308 4.199 4.436 . 0 0 "[ . 1 . 2]" 1
175 1 11 GLU HB2 1 21 TYR HA . . 4.870 4.441 4.028 4.632 . 0 0 "[ . 1 . 2]" 1
176 1 11 GLU HB2 1 21 TYR QD . . 4.240 2.462 2.046 2.697 . 0 0 "[ . 1 . 2]" 1
177 1 11 GLU HB2 1 21 TYR QE . . 3.650 2.223 1.995 2.497 . 0 0 "[ . 1 . 2]" 1
178 1 11 GLU HB2 1 37 PHE QD . . 4.730 4.633 4.278 4.759 0.029 3 0 "[ . 1 . 2]" 1
179 1 11 GLU HB2 1 37 PHE QE . . 4.530 2.473 2.012 2.947 . 0 0 "[ . 1 . 2]" 1
180 1 11 GLU HB2 1 37 PHE HZ . . 3.970 2.004 1.992 2.139 . 0 0 "[ . 1 . 2]" 1
181 1 11 GLU HB3 1 12 GLY H . . 4.530 4.288 4.149 4.436 . 0 0 "[ . 1 . 2]" 1
182 1 11 GLU HB3 1 21 TYR QD . . 4.170 3.996 3.685 4.177 0.007 13 0 "[ . 1 . 2]" 1
183 1 11 GLU HB3 1 21 TYR QE . . 4.010 3.694 3.367 3.939 . 0 0 "[ . 1 . 2]" 1
184 1 11 GLU HB3 1 37 PHE QE . . 4.480 3.714 3.256 3.935 . 0 0 "[ . 1 . 2]" 1
185 1 11 GLU HB3 1 37 PHE HZ . . 4.040 2.878 1.997 3.323 . 0 0 "[ . 1 . 2]" 1
186 1 11 GLU HG2 1 12 GLY H . . 4.130 3.166 2.867 3.342 . 0 0 "[ . 1 . 2]" 1
187 1 11 GLU HG2 1 12 GLY HA3 . . 4.970 4.767 4.559 4.962 . 0 0 "[ . 1 . 2]" 1
188 1 11 GLU HG2 1 13 ILE MD . . 4.630 4.113 3.779 4.333 . 0 0 "[ . 1 . 2]" 1
189 1 11 GLU HG2 1 19 HIS HB2 . . 4.880 4.900 4.888 4.911 0.031 20 0 "[ . 1 . 2]" 1
190 1 11 GLU HG2 1 19 HIS HB3 . . 4.520 3.172 3.159 3.202 . 0 0 "[ . 1 . 2]" 1
191 1 11 GLU HG2 1 20 TYR H . . 5.130 4.783 4.063 4.966 . 0 0 "[ . 1 . 2]" 1
192 1 11 GLU HG2 1 21 TYR QD . . 4.470 4.461 4.342 4.497 0.027 8 0 "[ . 1 . 2]" 1
193 1 11 GLU HG2 1 21 TYR QE . . 4.430 3.908 3.689 4.149 . 0 0 "[ . 1 . 2]" 1
194 1 11 GLU HG3 1 12 GLY H . . 4.190 3.033 2.691 3.686 . 0 0 "[ . 1 . 2]" 1
195 1 11 GLU HG3 1 13 ILE MD . . 4.620 4.643 4.631 4.668 0.048 14 0 "[ . 1 . 2]" 1
196 1 11 GLU HG3 1 19 HIS HB2 . . 5.070 4.342 4.186 4.469 . 0 0 "[ . 1 . 2]" 1
197 1 11 GLU HG3 1 19 HIS HB3 . . 4.670 2.886 2.715 3.091 . 0 0 "[ . 1 . 2]" 1
198 1 11 GLU HG3 1 20 TYR H . . 5.360 4.186 3.917 4.633 . 0 0 "[ . 1 . 2]" 1
199 1 11 GLU HG3 1 21 TYR HA . . 4.710 4.298 4.029 4.474 . 0 0 "[ . 1 . 2]" 1
200 1 11 GLU HG3 1 21 TYR QD . . 4.250 3.148 2.979 3.424 . 0 0 "[ . 1 . 2]" 1
201 1 11 GLU HG3 1 21 TYR QE . . 3.600 2.644 2.218 2.935 . 0 0 "[ . 1 . 2]" 1
202 1 11 GLU HG3 1 37 PHE HZ . . 4.820 4.391 4.122 4.564 . 0 0 "[ . 1 . 2]" 1
203 1 12 GLY H 1 13 ILE H . . 4.300 4.004 3.888 4.187 . 0 0 "[ . 1 . 2]" 1
204 1 12 GLY H 1 13 ILE HG12 . . 4.780 4.802 4.735 4.834 0.054 19 0 "[ . 1 . 2]" 1
205 1 12 GLY H 1 20 TYR QE . . 5.330 4.049 3.865 4.226 . 0 0 "[ . 1 . 2]" 1
206 1 12 GLY H 1 21 TYR HA . . 4.470 3.473 3.134 3.730 . 0 0 "[ . 1 . 2]" 1
207 1 12 GLY HA2 1 20 TYR QE . . 5.120 4.594 4.264 5.148 0.028 15 0 "[ . 1 . 2]" 1
208 1 12 GLY HA3 1 13 ILE H . . 3.470 2.263 2.223 2.350 . 0 0 "[ . 1 . 2]" 1
209 1 12 GLY HA3 1 13 ILE HB . . 5.100 4.675 4.575 4.829 . 0 0 "[ . 1 . 2]" 1
210 1 12 GLY HA3 1 13 ILE MD . . 5.090 4.870 4.826 5.003 . 0 0 "[ . 1 . 2]" 1
211 1 12 GLY HA3 1 13 ILE HG12 . . 5.380 4.185 4.125 4.244 . 0 0 "[ . 1 . 2]" 1
212 1 12 GLY HA3 1 20 TYR QD . . 5.140 4.109 3.781 4.720 . 0 0 "[ . 1 . 2]" 1
213 1 12 GLY HA3 1 20 TYR QE . . 4.860 3.107 2.747 3.776 . 0 0 "[ . 1 . 2]" 1
214 1 13 ILE H 1 13 ILE HB . . 3.730 2.811 2.772 2.833 . 0 0 "[ . 1 . 2]" 1
215 1 13 ILE H 1 13 ILE MD . . 4.390 4.049 4.024 4.110 . 0 0 "[ . 1 . 2]" 1
216 1 13 ILE H 1 13 ILE HG12 . . 4.110 3.379 3.270 3.460 . 0 0 "[ . 1 . 2]" 1
217 1 13 ILE H 1 13 ILE HG13 . . 4.910 4.565 4.447 4.635 . 0 0 "[ . 1 . 2]" 1
218 1 13 ILE H 1 13 ILE MG . . 4.430 3.834 3.819 3.864 . 0 0 "[ . 1 . 2]" 1
219 1 13 ILE H 1 14 THR H . . 5.500 4.368 4.354 4.383 . 0 0 "[ . 1 . 2]" 1
220 1 13 ILE H 1 20 TYR QE . . 4.680 2.312 1.941 3.306 . 0 0 "[ . 1 . 2]" 1
221 1 13 ILE HA 1 13 ILE MD . . 4.170 1.931 1.914 1.944 . 0 0 "[ . 1 . 2]" 1
222 1 13 ILE HA 1 13 ILE HG12 . . 4.130 2.915 2.854 2.941 . 0 0 "[ . 1 . 2]" 1
223 1 13 ILE HA 1 13 ILE MG . . 3.470 2.470 2.429 2.490 . 0 0 "[ . 1 . 2]" 1
224 1 13 ILE HA 1 14 THR H . . 3.490 2.377 2.327 2.460 . 0 0 "[ . 1 . 2]" 1
225 1 13 ILE HA 1 18 TYR H . . 5.500 4.192 4.088 4.320 . 0 0 "[ . 1 . 2]" 1
226 1 13 ILE HA 1 19 HIS HA . . 3.630 2.644 2.560 2.753 . 0 0 "[ . 1 . 2]" 1
227 1 13 ILE HA 1 19 HIS HB3 . . 5.050 4.974 4.890 5.063 0.013 12 0 "[ . 1 . 2]" 1
228 1 13 ILE HA 1 20 TYR H . . 4.270 2.846 2.780 3.016 . 0 0 "[ . 1 . 2]" 1
229 1 13 ILE HA 1 20 TYR QD . . 3.930 2.671 2.390 3.345 . 0 0 "[ . 1 . 2]" 1
230 1 13 ILE HA 1 20 TYR QE . . 5.370 3.778 3.679 3.863 . 0 0 "[ . 1 . 2]" 1
231 1 13 ILE HB 1 13 ILE MD . . 3.340 3.200 3.199 3.201 . 0 0 "[ . 1 . 2]" 1
232 1 13 ILE HB 1 14 THR H . . 4.710 3.947 3.793 4.034 . 0 0 "[ . 1 . 2]" 1
233 1 13 ILE HB 1 17 GLY HA2 . . 5.090 4.453 4.412 4.488 . 0 0 "[ . 1 . 2]" 1
234 1 13 ILE HB 1 19 HIS HA . . 5.350 5.139 5.104 5.197 . 0 0 "[ . 1 . 2]" 1
235 1 13 ILE MD 1 14 THR H . . 4.840 3.016 2.930 3.157 . 0 0 "[ . 1 . 2]" 1
236 1 13 ILE MD 1 17 GLY H . . 5.480 4.813 4.725 4.992 . 0 0 "[ . 1 . 2]" 1
237 1 13 ILE MD 1 17 GLY HA2 . . 4.560 3.425 3.352 3.509 . 0 0 "[ . 1 . 2]" 1
238 1 13 ILE MD 1 17 GLY HA3 . . 4.300 4.108 3.925 4.190 . 0 0 "[ . 1 . 2]" 1
239 1 13 ILE MD 1 18 TYR H . . 5.050 3.632 3.507 3.880 . 0 0 "[ . 1 . 2]" 1
240 1 13 ILE MD 1 19 HIS H . . 5.500 3.084 3.040 3.139 . 0 0 "[ . 1 . 2]" 1
241 1 13 ILE MD 1 19 HIS HA . . 4.680 1.881 1.795 1.912 . 0 0 "[ . 1 . 2]" 1
242 1 13 ILE MD 1 19 HIS HB2 . . 5.500 3.680 3.530 3.785 . 0 0 "[ . 1 . 2]" 1
243 1 13 ILE MD 1 19 HIS HB3 . . 5.500 3.041 2.811 3.198 . 0 0 "[ . 1 . 2]" 1
244 1 13 ILE MD 1 19 HIS HD2 . . 4.730 2.139 1.900 2.496 . 0 0 "[ . 1 . 2]" 1
245 1 13 ILE MD 1 19 HIS HE1 . . 4.010 3.728 3.311 4.004 . 0 0 "[ . 1 . 2]" 1
246 1 13 ILE MD 1 20 TYR H . . 4.430 3.430 3.322 3.477 . 0 0 "[ . 1 . 2]" 1
247 1 13 ILE MD 1 20 TYR QD . . 5.500 4.033 3.849 4.450 . 0 0 "[ . 1 . 2]" 1
248 1 13 ILE HG12 1 13 ILE MG . . 3.580 3.237 3.231 3.241 . 0 0 "[ . 1 . 2]" 1
249 1 13 ILE HG12 1 14 THR H . . 4.920 4.895 4.857 4.953 0.033 8 0 "[ . 1 . 2]" 1
250 1 13 ILE HG12 1 17 GLY HA2 . . 5.500 5.523 5.463 5.567 0.067 8 0 "[ . 1 . 2]" 1
251 1 13 ILE HG12 1 19 HIS HA . . 4.880 3.687 3.511 3.736 . 0 0 "[ . 1 . 2]" 1
252 1 13 ILE HG13 1 13 ILE MG . . 3.510 2.375 2.321 2.420 . 0 0 "[ . 1 . 2]" 1
253 1 13 ILE HG13 1 14 THR H . . 5.070 4.972 4.839 5.112 0.042 8 0 "[ . 1 . 2]" 1
254 1 13 ILE HG13 1 17 GLY HA2 . . 5.220 4.484 4.366 4.563 . 0 0 "[ . 1 . 2]" 1
255 1 13 ILE HG13 1 17 GLY HA3 . . 5.320 5.411 5.359 5.440 0.120 19 0 "[ . 1 . 2]" 1
256 1 13 ILE HG13 1 19 HIS HA . . 5.010 4.603 4.450 4.677 . 0 0 "[ . 1 . 2]" 1
257 1 13 ILE MG 1 14 THR H . . 3.730 1.955 1.840 2.146 . 0 0 "[ . 1 . 2]" 1
258 1 13 ILE MG 1 17 GLY H . . 3.560 3.440 3.366 3.509 . 0 0 "[ . 1 . 2]" 1
259 1 13 ILE MG 1 17 GLY HA2 . . 3.570 1.810 1.799 1.833 . 0 0 "[ . 1 . 2]" 1
260 1 13 ILE MG 1 17 GLY HA3 . . 3.420 3.035 2.983 3.091 . 0 0 "[ . 1 . 2]" 1
261 1 13 ILE MG 1 18 TYR H . . 4.770 2.773 2.704 2.868 . 0 0 "[ . 1 . 2]" 1
262 1 13 ILE MG 1 18 TYR HB2 . . 4.670 4.323 4.120 4.443 . 0 0 "[ . 1 . 2]" 1
263 1 13 ILE MG 1 19 HIS HA . . 4.470 4.062 3.852 4.185 . 0 0 "[ . 1 . 2]" 1
264 1 13 ILE MG 1 19 HIS HD2 . . 3.910 3.913 3.799 3.942 0.032 14 0 "[ . 1 . 2]" 1
265 1 13 ILE MG 1 20 TYR H . . 4.710 4.757 4.714 4.797 0.087 8 0 "[ . 1 . 2]" 1
266 1 13 ILE MG 1 20 TYR QD . . 5.330 4.308 4.205 4.533 . 0 0 "[ . 1 . 2]" 1
267 1 14 THR H 1 14 THR MG . . 4.210 2.498 2.293 3.067 . 0 0 "[ . 1 . 2]" 1
268 1 14 THR H 1 17 GLY H . . 5.360 3.686 3.449 3.936 . 0 0 "[ . 1 . 2]" 1
269 1 14 THR H 1 17 GLY HA2 . . 5.500 3.325 3.059 3.588 . 0 0 "[ . 1 . 2]" 1
270 1 14 THR H 1 17 GLY HA3 . . 5.500 4.859 4.643 5.107 . 0 0 "[ . 1 . 2]" 1
271 1 14 THR H 1 18 TYR H . . 4.170 2.408 2.231 2.565 . 0 0 "[ . 1 . 2]" 1
272 1 14 THR H 1 19 HIS HA . . 4.840 4.382 4.293 4.553 . 0 0 "[ . 1 . 2]" 1
273 1 14 THR H 1 20 TYR QD . . 4.170 3.349 3.013 3.634 . 0 0 "[ . 1 . 2]" 1
274 1 14 THR H 1 20 TYR QE . . 4.650 4.407 3.573 4.690 0.040 20 0 "[ . 1 . 2]" 1
275 1 14 THR MG 1 18 TYR H . . 4.170 3.244 2.535 4.172 0.002 2 0 "[ . 1 . 2]" 1
276 1 14 THR MG 1 18 TYR HB2 . . 4.640 2.423 1.777 3.392 . 0 0 "[ . 1 . 2]" 1
277 1 14 THR MG 1 18 TYR HB3 . . 4.660 3.259 2.359 4.462 . 0 0 "[ . 1 . 2]" 1
278 1 14 THR MG 1 18 TYR QD . . 4.320 3.891 3.248 4.320 0.000 16 0 "[ . 1 . 2]" 1
279 1 14 THR MG 1 19 HIS HA . . 5.100 4.439 4.116 4.987 . 0 0 "[ . 1 . 2]" 1
280 1 14 THR MG 1 20 TYR QD . . 3.530 2.091 1.937 2.355 . 0 0 "[ . 1 . 2]" 1
281 1 14 THR MG 1 20 TYR QE . . 3.620 3.369 2.753 3.631 0.011 15 0 "[ . 1 . 2]" 1
282 1 15 SER HA 1 17 GLY H . . 4.960 4.795 4.329 4.995 0.035 9 0 "[ . 1 . 2]" 1
283 1 15 SER QB 1 16 GLU HA . . 5.370 4.005 3.503 5.141 . 0 0 "[ . 1 . 2]" 1
284 1 15 SER QB 1 17 GLY H . . 4.710 4.488 4.304 4.721 0.011 2 0 "[ . 1 . 2]" 1
285 1 16 GLU H 1 17 GLY H . . 3.750 3.366 3.003 3.815 0.065 15 0 "[ . 1 . 2]" 1
286 1 16 GLU HA 1 16 GLU QG . . 3.260 2.242 2.008 2.624 . 0 0 "[ . 1 . 2]" 1
287 1 16 GLU HA 1 17 GLY H . . 3.560 3.644 3.642 3.645 0.085 8 0 "[ . 1 . 2]" 1
288 1 16 GLU HA 1 17 GLY HA3 . . 5.500 4.641 4.627 4.651 . 0 0 "[ . 1 . 2]" 1
289 1 16 GLU HA 1 18 TYR H . . 5.500 5.516 5.502 5.523 0.023 12 0 "[ . 1 . 2]" 1
290 1 16 GLU HB2 1 17 GLY H . . 5.050 2.894 2.187 3.661 . 0 0 "[ . 1 . 2]" 1
291 1 16 GLU HB2 1 18 TYR H . . 5.500 4.314 3.588 5.201 . 0 0 "[ . 1 . 2]" 1
292 1 16 GLU HB2 1 18 TYR QD . . 4.430 2.934 2.128 4.251 . 0 0 "[ . 1 . 2]" 1
293 1 16 GLU HB2 1 18 TYR QE . . 4.270 2.820 1.995 4.019 . 0 0 "[ . 1 . 2]" 1
294 1 16 GLU HB3 1 17 GLY H . . 4.700 2.590 2.011 3.323 . 0 0 "[ . 1 . 2]" 1
295 1 16 GLU HB3 1 17 GLY HA3 . . 4.950 4.160 4.005 4.513 . 0 0 "[ . 1 . 2]" 1
296 1 16 GLU HB3 1 18 TYR QD . . 3.800 2.985 2.178 3.782 . 0 0 "[ . 1 . 2]" 1
297 1 16 GLU HB3 1 18 TYR QE . . 4.220 2.824 2.077 3.657 . 0 0 "[ . 1 . 2]" 1
298 1 16 GLU QG 1 17 GLY H . . 5.500 4.049 3.547 4.386 . 0 0 "[ . 1 . 2]" 1
299 1 16 GLU QG 1 18 TYR QD . . 4.890 4.104 3.632 4.658 . 0 0 "[ . 1 . 2]" 1
300 1 16 GLU QG 1 18 TYR QE . . 4.480 3.013 2.164 3.941 . 0 0 "[ . 1 . 2]" 1
301 1 17 GLY H 1 18 TYR H . . 3.600 1.881 1.873 1.895 . 0 0 "[ . 1 . 2]" 1
302 1 17 GLY H 1 18 TYR HA . . 4.580 4.199 4.104 4.282 . 0 0 "[ . 1 . 2]" 1
303 1 17 GLY H 1 18 TYR QD . . 5.500 2.676 2.075 3.563 . 0 0 "[ . 1 . 2]" 1
304 1 18 TYR H 1 18 TYR HB2 . . 3.700 2.144 1.950 2.372 . 0 0 "[ . 1 . 2]" 1
305 1 18 TYR H 1 18 TYR HB3 . . 3.940 3.428 3.282 3.510 . 0 0 "[ . 1 . 2]" 1
306 1 18 TYR H 1 18 TYR QD . . 4.150 2.698 2.327 3.134 . 0 0 "[ . 1 . 2]" 1
307 1 18 TYR H 1 18 TYR QE . . 5.100 4.819 4.577 5.102 0.002 8 0 "[ . 1 . 2]" 1
308 1 18 TYR H 1 19 HIS H . . 4.970 4.536 4.488 4.556 . 0 0 "[ . 1 . 2]" 1
309 1 18 TYR HA 1 18 TYR QD . . 3.380 2.796 2.226 3.110 . 0 0 "[ . 1 . 2]" 1
310 1 18 TYR HA 1 19 HIS HD2 . . 3.740 2.729 2.634 2.858 . 0 0 "[ . 1 . 2]" 1
311 1 18 TYR HB2 1 19 HIS H . . 5.500 4.343 4.196 4.582 . 0 0 "[ . 1 . 2]" 1
312 1 18 TYR QD 1 19 HIS H . . 5.040 4.076 3.712 4.496 . 0 0 "[ . 1 . 2]" 1
313 1 19 HIS H 1 19 HIS HB2 . . 4.090 2.514 2.489 2.533 . 0 0 "[ . 1 . 2]" 1
314 1 19 HIS H 1 19 HIS HD2 . . 4.610 2.012 1.924 2.158 . 0 0 "[ . 1 . 2]" 1
315 1 19 HIS HA 1 19 HIS HD2 . . 4.060 3.173 2.964 3.450 . 0 0 "[ . 1 . 2]" 1
316 1 19 HIS HA 1 20 TYR H . . 3.390 2.224 2.199 2.256 . 0 0 "[ . 1 . 2]" 1
317 1 19 HIS HA 1 20 TYR QD . . 4.850 3.800 3.547 4.359 . 0 0 "[ . 1 . 2]" 1
318 1 19 HIS HB2 1 20 TYR H . . 4.420 4.480 4.438 4.514 0.094 14 0 "[ . 1 . 2]" 1
319 1 19 HIS HB3 1 20 TYR H . . 4.270 3.901 3.777 4.015 . 0 0 "[ . 1 . 2]" 1
320 1 20 TYR H 1 20 TYR QD . . 4.000 2.168 1.935 2.887 . 0 0 "[ . 1 . 2]" 1
321 1 20 TYR H 1 20 TYR QE . . 4.820 4.203 4.138 4.345 . 0 0 "[ . 1 . 2]" 1
322 1 20 TYR HA 1 20 TYR QD . . 3.810 3.729 3.662 3.753 . 0 0 "[ . 1 . 2]" 1
323 1 20 TYR HA 1 21 TYR QD . . 4.480 3.994 3.069 4.150 . 0 0 "[ . 1 . 2]" 1
324 1 20 TYR HA 1 21 TYR QE . . 4.660 4.623 3.933 4.682 0.022 6 0 "[ . 1 . 2]" 1
325 1 20 TYR HA 1 31 TRP HA . . 3.360 3.302 2.862 3.379 0.019 6 0 "[ . 1 . 2]" 1
326 1 20 TYR HA 1 31 TRP HE3 . . 4.930 3.182 2.887 3.857 . 0 0 "[ . 1 . 2]" 1
327 1 20 TYR HB2 1 21 TYR H . . 4.660 2.712 2.518 3.024 . 0 0 "[ . 1 . 2]" 1
328 1 20 TYR HB2 1 31 TRP HA . . 4.890 3.573 3.274 3.839 . 0 0 "[ . 1 . 2]" 1
329 1 20 TYR HB2 1 31 TRP HE3 . . 5.160 2.657 2.238 2.995 . 0 0 "[ . 1 . 2]" 1
330 1 20 TYR HB3 1 21 TYR H . . 4.300 4.045 3.915 4.217 . 0 0 "[ . 1 . 2]" 1
331 1 20 TYR HB3 1 31 TRP HA . . 4.430 4.598 4.053 4.894 0.464 19 0 "[ . 1 . 2]" 1
332 1 20 TYR HB3 1 31 TRP HE3 . . 4.990 3.188 2.753 3.703 . 0 0 "[ . 1 . 2]" 1
333 1 20 TYR QD 1 21 TYR H . . 4.250 2.931 2.613 3.214 . 0 0 "[ . 1 . 2]" 1
334 1 20 TYR QD 1 21 TYR HA . . 4.820 3.805 2.904 4.235 . 0 0 "[ . 1 . 2]" 1
335 1 20 TYR QD 1 31 TRP HA . . 5.440 5.105 4.814 5.337 . 0 0 "[ . 1 . 2]" 1
336 1 20 TYR QD 1 31 TRP HE3 . . 4.620 4.525 4.125 4.630 0.010 13 0 "[ . 1 . 2]" 1
337 1 20 TYR QE 1 22 TYR QB . . 3.520 2.035 1.972 2.334 . 0 0 "[ . 1 . 2]" 1
338 1 21 TYR H 1 21 TYR QD . . 4.380 3.147 2.444 3.440 . 0 0 "[ . 1 . 2]" 1
339 1 21 TYR H 1 31 TRP HA . . 5.030 3.524 3.349 3.786 . 0 0 "[ . 1 . 2]" 1
340 1 21 TYR HA 1 21 TYR QD . . 4.040 2.486 2.302 3.079 . 0 0 "[ . 1 . 2]" 1
341 1 21 TYR HA 1 22 TYR H . . 3.430 2.209 2.194 2.264 . 0 0 "[ . 1 . 2]" 1
342 1 21 TYR HA 1 22 TYR QB . . 4.500 3.866 3.821 3.888 . 0 0 "[ . 1 . 2]" 1
343 1 21 TYR HB2 1 22 TYR H . . 4.700 4.200 4.064 4.272 . 0 0 "[ . 1 . 2]" 1
344 1 21 TYR HB3 1 22 TYR H . . 4.820 3.397 3.121 3.514 . 0 0 "[ . 1 . 2]" 1
345 1 21 TYR HB3 1 34 PRO HD2 . . 4.630 4.107 3.756 4.336 . 0 0 "[ . 1 . 2]" 1
346 1 21 TYR QD 1 31 TRP HA . . 4.820 4.004 3.412 4.621 . 0 0 "[ . 1 . 2]" 1
347 1 21 TYR QD 1 33 LYS H . . 5.500 4.544 4.264 4.704 . 0 0 "[ . 1 . 2]" 1
348 1 21 TYR QD 1 33 LYS HB2 . . 4.540 4.364 3.689 4.548 0.008 7 0 "[ . 1 . 2]" 1
349 1 21 TYR QD 1 33 LYS HG2 . . 4.790 4.730 4.471 4.821 0.031 12 0 "[ . 1 . 2]" 1
350 1 21 TYR QD 1 33 LYS HG3 . . 4.700 3.854 3.577 3.987 . 0 0 "[ . 1 . 2]" 1
351 1 21 TYR QD 1 34 PRO HD2 . . 4.600 3.945 3.434 4.309 . 0 0 "[ . 1 . 2]" 1
352 1 21 TYR QD 1 34 PRO HD3 . . 4.730 2.964 2.419 3.511 . 0 0 "[ . 1 . 2]" 1
353 1 21 TYR QD 1 37 PHE QD . . 4.480 4.225 3.438 4.412 . 0 0 "[ . 1 . 2]" 1
354 1 21 TYR QD 1 37 PHE QE . . 4.300 3.066 2.417 3.636 . 0 0 "[ . 1 . 2]" 1
355 1 21 TYR QD 1 37 PHE HZ . . 5.020 2.961 2.242 3.616 . 0 0 "[ . 1 . 2]" 1
356 1 21 TYR QE 1 32 GLU HA . . 4.450 3.812 3.215 4.209 . 0 0 "[ . 1 . 2]" 1
357 1 21 TYR QE 1 32 GLU QB . . 5.280 5.160 4.932 5.306 0.026 1 0 "[ . 1 . 2]" 1
358 1 21 TYR QE 1 33 LYS H . . 4.520 3.779 3.537 4.157 . 0 0 "[ . 1 . 2]" 1
359 1 21 TYR QE 1 33 LYS HA . . 3.940 3.017 2.387 3.560 . 0 0 "[ . 1 . 2]" 1
360 1 21 TYR QE 1 33 LYS HB2 . . 4.480 2.795 1.995 3.163 . 0 0 "[ . 1 . 2]" 1
361 1 21 TYR QE 1 33 LYS HB3 . . 4.720 4.359 3.669 4.625 . 0 0 "[ . 1 . 2]" 1
362 1 21 TYR QE 1 33 LYS QD . . 4.620 4.487 4.209 4.639 0.019 19 0 "[ . 1 . 2]" 1
363 1 21 TYR QE 1 33 LYS QE . . 4.190 3.209 2.604 3.546 . 0 0 "[ . 1 . 2]" 1
364 1 21 TYR QE 1 33 LYS HG2 . . 4.790 4.379 4.131 4.590 . 0 0 "[ . 1 . 2]" 1
365 1 21 TYR QE 1 33 LYS HG3 . . 4.510 3.063 2.779 3.259 . 0 0 "[ . 1 . 2]" 1
366 1 21 TYR QE 1 37 PHE QD . . 4.450 3.801 3.506 4.238 . 0 0 "[ . 1 . 2]" 1
367 1 21 TYR QE 1 37 PHE QE . . 4.060 2.217 1.995 3.155 . 0 0 "[ . 1 . 2]" 1
368 1 21 TYR QE 1 37 PHE HZ . . 4.860 3.419 2.854 3.905 . 0 0 "[ . 1 . 2]" 1
369 1 22 TYR H 1 22 TYR QD . . 4.420 3.776 3.686 3.837 . 0 0 "[ . 1 . 2]" 1
370 1 22 TYR HA 1 22 TYR QD . . 4.100 3.068 2.948 3.195 . 0 0 "[ . 1 . 2]" 1
371 1 22 TYR HA 1 28 ALA MB . . 5.500 5.067 4.907 5.324 . 0 0 "[ . 1 . 2]" 1
372 1 22 TYR HA 1 29 SER HA . . 4.080 2.518 2.236 2.670 . 0 0 "[ . 1 . 2]" 1
373 1 22 TYR HA 1 30 GLN H . . 5.500 3.784 3.604 3.944 . 0 0 "[ . 1 . 2]" 1
374 1 22 TYR QB 1 23 ASP H . . 4.600 3.365 3.319 3.453 . 0 0 "[ . 1 . 2]" 1
375 1 22 TYR QB 1 24 LEU MD2 . . 4.100 4.111 3.988 4.161 0.061 8 0 "[ . 1 . 2]" 1
376 1 22 TYR QB 1 29 SER HA . . 5.500 4.374 4.096 4.571 . 0 0 "[ . 1 . 2]" 1
377 1 22 TYR QD 1 23 ASP H . . 4.360 2.763 2.592 3.009 . 0 0 "[ . 1 . 2]" 1
378 1 22 TYR QD 1 24 LEU HA . . 4.200 4.161 4.007 4.222 0.022 20 0 "[ . 1 . 2]" 1
379 1 22 TYR QD 1 24 LEU MD1 . . 4.940 4.903 4.832 4.948 0.008 12 0 "[ . 1 . 2]" 1
380 1 22 TYR QD 1 24 LEU MD2 . . 3.350 2.317 2.274 2.340 . 0 0 "[ . 1 . 2]" 1
381 1 22 TYR QD 1 24 LEU HG . . 4.950 4.985 4.966 4.998 0.048 6 0 "[ . 1 . 2]" 1
382 1 22 TYR QD 1 27 GLY HA2 . . 5.450 4.257 4.202 4.377 . 0 0 "[ . 1 . 2]" 1
383 1 22 TYR QD 1 29 SER QB . . 4.300 3.460 3.141 3.707 . 0 0 "[ . 1 . 2]" 1
384 1 22 TYR QE 1 23 ASP QB . . 5.330 4.511 4.463 4.576 . 0 0 "[ . 1 . 2]" 1
385 1 22 TYR QE 1 24 LEU H . . 5.500 3.575 3.518 3.648 . 0 0 "[ . 1 . 2]" 1
386 1 22 TYR QE 1 24 LEU HA . . 3.630 2.189 1.990 2.275 . 0 0 "[ . 1 . 2]" 1
387 1 22 TYR QE 1 24 LEU HB3 . . 4.510 2.005 1.984 2.203 . 0 0 "[ . 1 . 2]" 1
388 1 22 TYR QE 1 24 LEU MD1 . . 5.060 4.185 4.126 4.382 . 0 0 "[ . 1 . 2]" 1
389 1 22 TYR QE 1 24 LEU MD2 . . 3.220 2.394 2.289 2.621 . 0 0 "[ . 1 . 2]" 1
390 1 22 TYR QE 1 24 LEU HG . . 4.450 4.290 4.230 4.440 . 0 0 "[ . 1 . 2]" 1
391 1 22 TYR QE 1 27 GLY H . . 4.840 4.869 4.846 4.884 0.044 9 0 "[ . 1 . 2]" 1
392 1 22 TYR QE 1 27 GLY HA2 . . 4.740 2.641 2.599 2.748 . 0 0 "[ . 1 . 2]" 1
393 1 22 TYR QE 1 27 GLY HA3 . . 4.210 3.532 3.489 3.610 . 0 0 "[ . 1 . 2]" 1
394 1 23 ASP H 1 23 ASP QB . . 3.920 2.344 2.226 2.398 . 0 0 "[ . 1 . 2]" 1
395 1 23 ASP H 1 28 ALA MB . . 5.500 4.034 3.756 4.283 . 0 0 "[ . 1 . 2]" 1
396 1 23 ASP H 1 29 SER HA . . 5.260 3.625 3.374 3.828 . 0 0 "[ . 1 . 2]" 1
397 1 23 ASP HA 1 24 LEU H . . 3.340 2.268 2.261 2.275 . 0 0 "[ . 1 . 2]" 1
398 1 23 ASP HA 1 24 LEU HA . . 4.100 4.414 4.411 4.419 0.319 17 0 "[ . 1 . 2]" 1
399 1 23 ASP HA 1 24 LEU HB3 . . 5.080 5.044 5.035 5.056 . 0 0 "[ . 1 . 2]" 1
400 1 23 ASP HA 1 24 LEU MD1 . . 5.410 5.155 5.139 5.167 . 0 0 "[ . 1 . 2]" 1
401 1 23 ASP HA 1 24 LEU MD2 . . 4.920 2.951 2.914 2.973 . 0 0 "[ . 1 . 2]" 1
402 1 23 ASP HA 1 24 LEU HG . . 4.380 3.936 3.918 3.950 . 0 0 "[ . 1 . 2]" 1
403 1 23 ASP HA 1 25 ILE H . . 3.930 3.702 3.679 3.734 . 0 0 "[ . 1 . 2]" 1
404 1 23 ASP HA 1 25 ILE MD . . 4.080 3.197 3.111 3.309 . 0 0 "[ . 1 . 2]" 1
405 1 23 ASP HA 1 28 ALA MB . . 4.730 4.513 4.370 4.637 . 0 0 "[ . 1 . 2]" 1
406 1 23 ASP QB 1 25 ILE MD . . 3.480 2.845 2.786 3.112 . 0 0 "[ . 1 . 2]" 1
407 1 23 ASP QB 1 27 GLY H . . 4.370 2.626 2.550 3.396 . 0 0 "[ . 1 . 2]" 1
408 1 23 ASP QB 1 28 ALA H . . 4.190 1.739 1.719 1.913 . 0 0 "[ . 1 . 2]" 1
409 1 23 ASP QB 1 28 ALA MB . . 3.670 2.008 1.896 2.157 . 0 0 "[ . 1 . 2]" 1
410 1 24 LEU H 1 24 LEU HB2 . . 3.790 3.441 3.431 3.448 . 0 0 "[ . 1 . 2]" 1
411 1 24 LEU H 1 24 LEU HB3 . . 3.960 3.206 3.194 3.223 . 0 0 "[ . 1 . 2]" 1
412 1 24 LEU H 1 24 LEU MD1 . . 4.220 3.543 3.536 3.550 . 0 0 "[ . 1 . 2]" 1
413 1 24 LEU H 1 24 LEU MD2 . . 4.230 2.078 2.061 2.091 . 0 0 "[ . 1 . 2]" 1
414 1 24 LEU H 1 24 LEU HG . . 3.670 1.878 1.863 1.891 . 0 0 "[ . 1 . 2]" 1
415 1 24 LEU H 1 25 ILE H . . 4.350 2.186 2.177 2.193 . 0 0 "[ . 1 . 2]" 1
416 1 24 LEU H 1 25 ILE MD . . 4.810 2.922 2.828 3.057 . 0 0 "[ . 1 . 2]" 1
417 1 24 LEU H 1 25 ILE HG12 . . 5.500 5.468 5.455 5.486 . 0 0 "[ . 1 . 2]" 1
418 1 24 LEU H 1 25 ILE HG13 . . 5.500 4.187 4.134 4.261 . 0 0 "[ . 1 . 2]" 1
419 1 24 LEU HA 1 24 LEU MD1 . . 4.120 4.122 4.119 4.128 0.008 2 0 "[ . 1 . 2]" 1
420 1 24 LEU HA 1 24 LEU MD2 . . 3.070 3.160 3.136 3.177 0.107 10 0 "[ . 1 . 2]" 1
421 1 24 LEU HA 1 24 LEU HG . . 3.580 3.674 3.670 3.681 0.101 14 0 "[ . 1 . 2]" 1
422 1 24 LEU HB2 1 24 LEU MD1 . . 3.240 2.032 2.016 2.063 . 0 0 "[ . 1 . 2]" 1
423 1 24 LEU HB2 1 24 LEU MD2 . . 3.350 3.173 3.170 3.178 . 0 0 "[ . 1 . 2]" 1
424 1 24 LEU HB2 1 25 ILE H . . 4.490 3.704 3.686 3.724 . 0 0 "[ . 1 . 2]" 1
425 1 24 LEU HB3 1 24 LEU MD1 . . 3.180 2.640 2.610 2.681 . 0 0 "[ . 1 . 2]" 1
426 1 24 LEU HB3 1 24 LEU MD2 . . 3.280 2.228 2.217 2.244 . 0 0 "[ . 1 . 2]" 1
427 1 24 LEU HB3 1 25 ILE H . . 4.800 4.382 4.374 4.387 . 0 0 "[ . 1 . 2]" 1
428 1 24 LEU MD1 1 25 ILE H . . 3.900 4.004 3.985 4.015 0.115 14 0 "[ . 1 . 2]" 1
429 1 24 LEU MD2 1 25 ILE H . . 4.910 3.750 3.728 3.766 . 0 0 "[ . 1 . 2]" 1
430 1 24 LEU HG 1 25 ILE H . . 4.980 2.605 2.581 2.624 . 0 0 "[ . 1 . 2]" 1
431 1 24 LEU HG 1 25 ILE MD . . 3.860 3.237 3.175 3.307 . 0 0 "[ . 1 . 2]" 1
432 1 25 ILE H 1 25 ILE HB . . 3.450 2.523 2.513 2.532 . 0 0 "[ . 1 . 2]" 1
433 1 25 ILE H 1 25 ILE MD . . 3.840 2.007 1.899 2.169 . 0 0 "[ . 1 . 2]" 1
434 1 25 ILE H 1 25 ILE HG12 . . 3.750 3.662 3.653 3.671 . 0 0 "[ . 1 . 2]" 1
435 1 25 ILE H 1 25 ILE HG13 . . 3.760 2.444 2.392 2.501 . 0 0 "[ . 1 . 2]" 1
436 1 25 ILE H 1 25 ILE MG . . 3.760 3.724 3.722 3.726 . 0 0 "[ . 1 . 2]" 1
437 1 25 ILE H 1 26 SER H . . 3.860 3.261 3.251 3.273 . 0 0 "[ . 1 . 2]" 1
438 1 25 ILE HA 1 25 ILE HG12 . . 3.630 3.309 3.264 3.340 . 0 0 "[ . 1 . 2]" 1
439 1 25 ILE HA 1 25 ILE HG13 . . 3.510 2.293 2.277 2.300 . 0 0 "[ . 1 . 2]" 1
440 1 25 ILE HA 1 25 ILE MG . . 2.950 2.414 2.406 2.430 . 0 0 "[ . 1 . 2]" 1
441 1 25 ILE HB 1 25 ILE MD . . 3.410 2.021 1.961 2.060 . 0 0 "[ . 1 . 2]" 1
442 1 25 ILE HB 1 26 SER H . . 3.570 2.243 2.233 2.255 . 0 0 "[ . 1 . 2]" 1
443 1 25 ILE HB 1 26 SER HA . . 4.620 4.704 4.697 4.712 0.092 17 0 "[ . 1 . 2]" 1
444 1 25 ILE HB 1 26 SER HB2 . . 5.090 3.686 3.678 3.702 . 0 0 "[ . 1 . 2]" 1
445 1 25 ILE HB 1 26 SER HB3 . . 4.830 5.091 5.009 5.108 0.278 8 0 "[ . 1 . 2]" 1
446 1 25 ILE HB 1 27 GLY H . . 3.760 3.784 3.772 3.799 0.039 17 0 "[ . 1 . 2]" 1
447 1 25 ILE MD 1 26 SER H . . 4.660 3.577 3.559 3.595 . 0 0 "[ . 1 . 2]" 1
448 1 25 ILE MD 1 28 ALA H . . 4.760 4.582 4.523 4.617 . 0 0 "[ . 1 . 2]" 1
449 1 25 ILE MD 1 28 ALA MB . . 4.280 4.216 4.114 4.290 0.010 17 0 "[ . 1 . 2]" 1
450 1 25 ILE HG12 1 25 ILE MG . . 2.780 2.113 2.096 2.124 . 0 0 "[ . 1 . 2]" 1
451 1 25 ILE HG12 1 26 SER H . . 5.180 4.907 4.896 4.923 . 0 0 "[ . 1 . 2]" 1
452 1 25 ILE HG13 1 26 SER H . . 4.900 4.632 4.610 4.661 . 0 0 "[ . 1 . 2]" 1
453 1 25 ILE MG 1 26 SER H . . 3.660 2.833 2.818 2.843 . 0 0 "[ . 1 . 2]" 1
454 1 25 ILE MG 1 26 SER HA . . 3.840 3.720 3.691 3.736 . 0 0 "[ . 1 . 2]" 1
455 1 25 ILE MG 1 26 SER HB2 . . 4.760 2.701 2.628 2.725 . 0 0 "[ . 1 . 2]" 1
456 1 25 ILE MG 1 26 SER HB3 . . 4.300 4.249 4.186 4.269 . 0 0 "[ . 1 . 2]" 1
457 1 25 ILE MG 1 27 GLY H . . 4.370 4.384 4.363 4.396 0.026 13 0 "[ . 1 . 2]" 1
458 1 26 SER H 1 26 SER HB3 . . 4.030 3.288 3.204 3.309 . 0 0 "[ . 1 . 2]" 1
459 1 26 SER H 1 27 GLY H . . 3.750 1.861 1.860 1.863 . 0 0 "[ . 1 . 2]" 1
460 1 26 SER H 1 27 GLY HA2 . . 4.870 4.089 4.079 4.099 . 0 0 "[ . 1 . 2]" 1
461 1 26 SER H 1 27 GLY HA3 . . 4.950 4.558 4.552 4.564 . 0 0 "[ . 1 . 2]" 1
462 1 26 SER H 1 28 ALA H . . 3.690 3.517 3.337 3.570 . 0 0 "[ . 1 . 2]" 1
463 1 26 SER H 1 28 ALA MB . . 5.500 4.127 4.054 4.195 . 0 0 "[ . 1 . 2]" 1
464 1 26 SER HA 1 27 GLY HA3 . . 4.600 4.616 4.613 4.621 0.021 11 0 "[ . 1 . 2]" 1
465 1 26 SER HB2 1 27 GLY H . . 4.210 3.231 3.203 3.329 . 0 0 "[ . 1 . 2]" 1
466 1 26 SER HB2 1 28 ALA H . . 4.900 4.766 4.587 4.787 . 0 0 "[ . 1 . 2]" 1
467 1 26 SER HB2 1 28 ALA MB . . 4.480 4.416 4.381 4.480 . 0 0 "[ . 1 . 2]" 1
468 1 26 SER HB3 1 27 GLY H . . 4.820 3.105 3.029 3.126 . 0 0 "[ . 1 . 2]" 1
469 1 26 SER HB3 1 28 ALA H . . 4.770 4.615 4.224 4.680 . 0 0 "[ . 1 . 2]" 1
470 1 26 SER HB3 1 28 ALA MB . . 4.480 4.426 4.184 4.491 0.011 14 0 "[ . 1 . 2]" 1
471 1 27 GLY H 1 28 ALA H . . 3.750 2.073 1.905 2.114 . 0 0 "[ . 1 . 2]" 1
472 1 27 GLY H 1 28 ALA MB . . 4.720 3.390 3.341 3.443 . 0 0 "[ . 1 . 2]" 1
473 1 27 GLY HA2 1 28 ALA HA . . 4.420 4.530 4.514 4.583 0.163 17 0 "[ . 1 . 2]" 1
474 1 27 GLY HA3 1 28 ALA HA . . 5.480 4.573 4.569 4.583 . 0 0 "[ . 1 . 2]" 1
475 1 28 ALA H 1 28 ALA MB . . 3.160 2.147 2.080 2.200 . 0 0 "[ . 1 . 2]" 1
476 1 28 ALA HA 1 29 SER H . . 3.230 2.538 2.456 2.591 . 0 0 "[ . 1 . 2]" 1
477 1 28 ALA MB 1 29 SER H . . 3.310 2.352 2.233 2.531 . 0 0 "[ . 1 . 2]" 1
478 1 28 ALA MB 1 29 SER HA . . 5.410 3.828 3.785 3.871 . 0 0 "[ . 1 . 2]" 1
479 1 30 GLN H 1 30 GLN HG2 . . 4.570 4.197 4.085 4.254 . 0 0 "[ . 1 . 2]" 1
480 1 30 GLN HA 1 30 GLN HG3 . . 3.770 2.760 2.725 2.818 . 0 0 "[ . 1 . 2]" 1
481 1 30 GLN HE21 1 32 GLU HA . . 5.380 3.866 3.793 3.939 . 0 0 "[ . 1 . 2]" 1
482 1 30 GLN HE21 1 32 GLU QB . . 3.880 1.947 1.873 2.027 . 0 0 "[ . 1 . 2]" 1
483 1 30 GLN HE21 1 32 GLU HG2 . . 5.210 4.606 4.392 4.741 . 0 0 "[ . 1 . 2]" 1
484 1 30 GLN HE21 1 32 GLU HG3 . . 5.190 4.563 4.414 4.791 . 0 0 "[ . 1 . 2]" 1
485 1 30 GLN HE21 1 34 PRO HA . . 4.040 4.040 3.857 4.072 0.032 3 0 "[ . 1 . 2]" 1
486 1 30 GLN HE21 1 34 PRO HB3 . . 5.500 4.665 4.383 5.010 . 0 0 "[ . 1 . 2]" 1
487 1 30 GLN HE21 1 34 PRO HD2 . . 5.230 5.356 5.126 5.641 0.411 1 0 "[ . 1 . 2]" 1
488 1 30 GLN HE22 1 30 GLN HG2 . . 4.140 3.467 3.445 3.499 . 0 0 "[ . 1 . 2]" 1
489 1 30 GLN HE22 1 32 GLU QB . . 4.130 2.588 2.506 2.806 . 0 0 "[ . 1 . 2]" 1
490 1 30 GLN HE22 1 32 GLU HG2 . . 5.260 5.313 4.887 5.376 0.116 10 0 "[ . 1 . 2]" 1
491 1 30 GLN HE22 1 32 GLU HG3 . . 5.350 5.318 5.268 5.390 0.040 13 0 "[ . 1 . 2]" 1
492 1 30 GLN HE22 1 33 LYS HA . . 5.350 5.237 5.011 5.357 0.007 14 0 "[ . 1 . 2]" 1
493 1 30 GLN HE22 1 34 PRO HA . . 3.900 3.744 3.578 3.875 . 0 0 "[ . 1 . 2]" 1
494 1 30 GLN HE22 1 34 PRO HB3 . . 4.940 4.525 4.207 4.935 . 0 0 "[ . 1 . 2]" 1
495 1 30 GLN HE22 1 35 GLU H . . 5.480 5.323 4.503 5.491 0.011 18 0 "[ . 1 . 2]" 1
496 1 30 GLN HG2 1 31 TRP H . . 4.560 3.157 2.991 3.341 . 0 0 "[ . 1 . 2]" 1
497 1 30 GLN HG2 1 31 TRP HB2 . . 5.500 4.708 4.531 4.888 . 0 0 "[ . 1 . 2]" 1
498 1 30 GLN HG2 1 32 GLU H . . 4.660 2.809 2.282 3.220 . 0 0 "[ . 1 . 2]" 1
499 1 30 GLN HG2 1 32 GLU QB . . 3.630 3.076 2.876 3.283 . 0 0 "[ . 1 . 2]" 1
500 1 30 GLN HG2 1 33 LYS HA . . 4.370 4.375 4.204 4.419 0.049 3 0 "[ . 1 . 2]" 1
501 1 30 GLN HG3 1 31 TRP H . . 4.370 2.022 1.947 2.223 . 0 0 "[ . 1 . 2]" 1
502 1 30 GLN HG3 1 31 TRP HA . . 5.320 4.227 4.169 4.377 . 0 0 "[ . 1 . 2]" 1
503 1 30 GLN HG3 1 31 TRP HB2 . . 4.710 3.831 3.745 4.033 . 0 0 "[ . 1 . 2]" 1
504 1 30 GLN HG3 1 31 TRP HB3 . . 5.170 5.077 5.020 5.172 0.002 14 0 "[ . 1 . 2]" 1
505 1 30 GLN HG3 1 31 TRP HD1 . . 5.250 4.777 4.454 4.972 . 0 0 "[ . 1 . 2]" 1
506 1 30 GLN HG3 1 32 GLU H . . 4.390 2.264 2.073 2.552 . 0 0 "[ . 1 . 2]" 1
507 1 31 TRP H 1 31 TRP HB2 . . 3.940 2.596 2.534 2.816 . 0 0 "[ . 1 . 2]" 1
508 1 31 TRP H 1 31 TRP HB3 . . 4.130 3.580 3.543 3.597 . 0 0 "[ . 1 . 2]" 1
509 1 31 TRP H 1 31 TRP HD1 . . 4.410 3.289 3.023 3.449 . 0 0 "[ . 1 . 2]" 1
510 1 31 TRP H 1 32 GLU H . . 4.600 2.535 2.459 2.640 . 0 0 "[ . 1 . 2]" 1
511 1 31 TRP H 1 32 GLU QB . . 5.130 4.215 4.103 4.298 . 0 0 "[ . 1 . 2]" 1
512 1 31 TRP HA 1 31 TRP HD1 . . 5.060 4.717 4.607 4.865 . 0 0 "[ . 1 . 2]" 1
513 1 31 TRP HA 1 31 TRP HE3 . . 3.670 2.110 1.998 2.358 . 0 0 "[ . 1 . 2]" 1
514 1 31 TRP HA 1 31 TRP HZ3 . . 5.070 4.453 4.359 4.628 . 0 0 "[ . 1 . 2]" 1
515 1 31 TRP HB2 1 31 TRP HD1 . . 3.720 2.605 2.602 2.614 . 0 0 "[ . 1 . 2]" 1
516 1 31 TRP HB2 1 32 GLU H . . 4.060 2.358 2.205 2.565 . 0 0 "[ . 1 . 2]" 1
517 1 31 TRP HB2 1 32 GLU HA . . 5.320 4.051 3.854 4.106 . 0 0 "[ . 1 . 2]" 1
518 1 31 TRP HB2 1 32 GLU QB . . 5.370 4.215 3.863 4.361 . 0 0 "[ . 1 . 2]" 1
519 1 31 TRP HB2 1 32 GLU HG2 . . 5.320 5.150 4.985 5.425 0.105 8 0 "[ . 1 . 2]" 1
520 1 31 TRP HB2 1 32 GLU HG3 . . 5.470 3.877 3.350 5.489 0.019 15 0 "[ . 1 . 2]" 1
521 1 31 TRP HB3 1 31 TRP HE3 . . 4.050 2.968 2.811 3.072 . 0 0 "[ . 1 . 2]" 1
522 1 31 TRP HB3 1 32 GLU H . . 4.170 3.641 3.494 3.897 . 0 0 "[ . 1 . 2]" 1
523 1 31 TRP HB3 1 32 GLU QB . . 5.460 5.405 5.115 5.486 0.026 11 0 "[ . 1 . 2]" 1
524 1 31 TRP HD1 1 32 GLU H . . 5.310 4.290 3.903 4.424 . 0 0 "[ . 1 . 2]" 1
525 1 32 GLU H 1 32 GLU QB . . 3.340 2.180 1.999 2.326 . 0 0 "[ . 1 . 2]" 1
526 1 32 GLU H 1 32 GLU HG2 . . 4.480 3.870 3.738 4.062 . 0 0 "[ . 1 . 2]" 1
527 1 32 GLU H 1 32 GLU HG3 . . 4.310 2.877 2.396 4.174 . 0 0 "[ . 1 . 2]" 1
528 1 32 GLU H 1 33 LYS H . . 5.500 4.647 4.604 4.672 . 0 0 "[ . 1 . 2]" 1
529 1 32 GLU HA 1 32 GLU HG2 . . 3.430 2.509 2.012 3.556 0.126 15 0 "[ . 1 . 2]" 1
530 1 32 GLU HA 1 32 GLU HG3 . . 3.440 2.640 2.433 3.045 . 0 0 "[ . 1 . 2]" 1
531 1 32 GLU HA 1 33 LYS H . . 2.960 2.551 2.481 2.631 . 0 0 "[ . 1 . 2]" 1
532 1 32 GLU HA 1 33 LYS HA . . 4.390 4.351 4.332 4.385 . 0 0 "[ . 1 . 2]" 1
533 1 32 GLU HA 1 33 LYS HB2 . . 4.540 4.256 4.172 4.463 . 0 0 "[ . 1 . 2]" 1
534 1 32 GLU QB 1 33 LYS H . . 3.650 2.437 2.209 2.669 . 0 0 "[ . 1 . 2]" 1
535 1 32 GLU QB 1 33 LYS HA . . 4.750 4.248 4.154 4.312 . 0 0 "[ . 1 . 2]" 1
536 1 32 GLU QB 1 33 LYS HB2 . . 5.500 4.756 4.559 5.104 . 0 0 "[ . 1 . 2]" 1
537 1 32 GLU QB 1 33 LYS HB3 . . 4.720 4.720 4.653 4.747 0.027 19 0 "[ . 1 . 2]" 1
538 1 32 GLU HG2 1 33 LYS H . . 4.540 3.415 2.526 4.339 . 0 0 "[ . 1 . 2]" 1
539 1 32 GLU HG3 1 33 LYS H . . 4.450 4.310 3.011 4.543 0.093 20 0 "[ . 1 . 2]" 1
540 1 33 LYS H 1 33 LYS HB2 . . 3.220 2.510 2.401 2.770 . 0 0 "[ . 1 . 2]" 1
541 1 33 LYS H 1 33 LYS HB3 . . 3.520 2.702 2.439 2.840 . 0 0 "[ . 1 . 2]" 1
542 1 33 LYS H 1 33 LYS QD . . 4.730 4.705 4.612 4.749 0.019 11 0 "[ . 1 . 2]" 1
543 1 33 LYS H 1 33 LYS QE . . 4.930 4.592 4.310 4.923 . 0 0 "[ . 1 . 2]" 1
544 1 33 LYS H 1 33 LYS HG2 . . 4.740 4.476 4.340 4.537 . 0 0 "[ . 1 . 2]" 1
545 1 33 LYS H 1 33 LYS HG3 . . 4.700 4.431 4.313 4.589 . 0 0 "[ . 1 . 2]" 1
546 1 33 LYS H 1 34 PRO HD2 . . 5.500 5.040 5.017 5.050 . 0 0 "[ . 1 . 2]" 1
547 1 33 LYS H 1 34 PRO HD3 . . 5.030 4.536 4.410 4.673 . 0 0 "[ . 1 . 2]" 1
548 1 33 LYS HB2 1 33 LYS QD . . 3.780 2.935 2.693 3.080 . 0 0 "[ . 1 . 2]" 1
549 1 33 LYS HB2 1 33 LYS QE . . 3.370 2.330 2.039 2.650 . 0 0 "[ . 1 . 2]" 1
550 1 33 LYS HB2 1 34 PRO HD3 . . 4.880 4.463 4.141 4.611 . 0 0 "[ . 1 . 2]" 1
551 1 33 LYS HB2 1 37 PHE QD . . 5.500 4.635 4.134 5.365 . 0 0 "[ . 1 . 2]" 1
552 1 33 LYS HB3 1 33 LYS QD . . 3.110 2.278 2.150 2.419 . 0 0 "[ . 1 . 2]" 1
553 1 33 LYS HB3 1 33 LYS QE . . 4.120 3.113 2.671 3.481 . 0 0 "[ . 1 . 2]" 1
554 1 33 LYS HB3 1 34 PRO HD2 . . 5.160 4.095 3.950 4.208 . 0 0 "[ . 1 . 2]" 1
555 1 33 LYS HB3 1 34 PRO HD3 . . 4.990 4.612 4.531 4.670 . 0 0 "[ . 1 . 2]" 1
556 1 33 LYS HB3 1 37 PHE QD . . 5.500 4.878 4.491 5.346 . 0 0 "[ . 1 . 2]" 1
557 1 33 LYS QD 1 37 PHE H . . 4.680 4.245 3.630 4.626 . 0 0 "[ . 1 . 2]" 1
558 1 33 LYS QD 1 37 PHE HA . . 5.410 4.857 4.413 5.418 0.008 18 0 "[ . 1 . 2]" 1
559 1 33 LYS QD 1 37 PHE HB2 . . 3.640 3.592 3.269 3.654 0.014 20 0 "[ . 1 . 2]" 1
560 1 33 LYS QD 1 37 PHE HB3 . . 3.460 2.198 2.009 2.630 . 0 0 "[ . 1 . 2]" 1
561 1 33 LYS QD 1 37 PHE QD . . 3.770 2.157 1.990 2.367 . 0 0 "[ . 1 . 2]" 1
562 1 33 LYS QD 1 37 PHE QE . . 4.500 4.280 3.807 4.506 0.006 20 0 "[ . 1 . 2]" 1
563 1 33 LYS QD 1 38 GLN HA . . 5.020 4.027 2.559 5.035 0.015 3 0 "[ . 1 . 2]" 1
564 1 33 LYS QE 1 33 LYS HG2 . . 3.780 3.299 3.207 3.343 . 0 0 "[ . 1 . 2]" 1
565 1 33 LYS QE 1 33 LYS HG3 . . 3.820 2.275 2.122 2.372 . 0 0 "[ . 1 . 2]" 1
566 1 33 LYS QE 1 37 PHE QD . . 4.220 2.672 2.278 3.446 . 0 0 "[ . 1 . 2]" 1
567 1 33 LYS QE 1 37 PHE QE . . 4.520 3.569 2.897 4.274 . 0 0 "[ . 1 . 2]" 1
568 1 33 LYS HG2 1 34 PRO HD2 . . 3.590 2.056 1.976 2.182 . 0 0 "[ . 1 . 2]" 1
569 1 33 LYS HG2 1 34 PRO HD3 . . 4.450 3.373 3.316 3.501 . 0 0 "[ . 1 . 2]" 1
570 1 33 LYS HG2 1 37 PHE H . . 5.300 4.025 3.739 4.494 . 0 0 "[ . 1 . 2]" 1
571 1 33 LYS HG2 1 37 PHE HA . . 5.000 5.001 4.951 5.031 0.031 3 0 "[ . 1 . 2]" 1
572 1 33 LYS HG2 1 37 PHE HB2 . . 4.130 2.707 2.436 2.945 . 0 0 "[ . 1 . 2]" 1
573 1 33 LYS HG2 1 37 PHE HB3 . . 3.600 2.317 2.005 2.979 . 0 0 "[ . 1 . 2]" 1
574 1 33 LYS HG2 1 37 PHE QD . . 4.590 2.936 2.444 3.559 . 0 0 "[ . 1 . 2]" 1
575 1 33 LYS HG2 1 37 PHE QE . . 5.350 4.907 4.505 5.296 . 0 0 "[ . 1 . 2]" 1
576 1 33 LYS HG3 1 34 PRO HD2 . . 3.570 2.742 1.991 3.319 . 0 0 "[ . 1 . 2]" 1
577 1 33 LYS HG3 1 34 PRO HD3 . . 4.570 3.598 3.092 4.067 . 0 0 "[ . 1 . 2]" 1
578 1 33 LYS HG3 1 37 PHE HB2 . . 5.040 3.788 3.084 4.236 . 0 0 "[ . 1 . 2]" 1
579 1 33 LYS HG3 1 37 PHE HB3 . . 3.810 3.268 2.962 3.748 . 0 0 "[ . 1 . 2]" 1
580 1 33 LYS HG3 1 37 PHE QD . . 4.810 2.486 2.029 3.490 . 0 0 "[ . 1 . 2]" 1
581 1 33 LYS HG3 1 37 PHE QE . . 5.500 3.911 3.537 4.416 . 0 0 "[ . 1 . 2]" 1
582 1 34 PRO HA 1 35 GLU H . . 3.430 2.222 2.149 2.372 . 0 0 "[ . 1 . 2]" 1
583 1 34 PRO HA 1 35 GLU QB . . 4.430 4.191 3.999 4.420 . 0 0 "[ . 1 . 2]" 1
584 1 34 PRO HB2 1 35 GLU H . . 4.210 3.381 2.873 3.808 . 0 0 "[ . 1 . 2]" 1
585 1 34 PRO HB2 1 35 GLU QB . . 5.270 4.904 4.187 5.296 0.026 11 0 "[ . 1 . 2]" 1
586 1 34 PRO HB2 1 37 PHE H . . 4.830 4.216 3.711 4.841 0.011 6 0 "[ . 1 . 2]" 1
587 1 34 PRO HB3 1 35 GLU H . . 4.310 3.791 3.482 4.084 . 0 0 "[ . 1 . 2]" 1
588 1 34 PRO HD3 1 37 PHE HB2 . . 4.940 3.952 3.580 4.293 . 0 0 "[ . 1 . 2]" 1
589 1 34 PRO HD3 1 37 PHE HB3 . . 4.730 4.869 4.699 5.164 0.434 8 0 "[ . 1 . 2]" 1
590 1 34 PRO HG2 1 37 PHE H . . 5.500 3.838 2.950 4.607 . 0 0 "[ . 1 . 2]" 1
591 1 34 PRO HG2 1 37 PHE HB2 . . 5.190 2.522 2.014 2.842 . 0 0 "[ . 1 . 2]" 1
592 1 34 PRO HG2 1 37 PHE HB3 . . 4.630 4.139 3.723 4.391 . 0 0 "[ . 1 . 2]" 1
593 1 34 PRO HG2 1 37 PHE QD . . 5.500 3.461 2.186 4.233 . 0 0 "[ . 1 . 2]" 1
594 1 35 GLU H 1 35 GLU QB . . 3.440 2.241 2.009 2.542 . 0 0 "[ . 1 . 2]" 1
595 1 35 GLU H 1 35 GLU QG . . 4.230 3.113 1.937 3.996 . 0 0 "[ . 1 . 2]" 1
596 1 35 GLU HA 1 35 GLU QG . . 3.610 2.747 2.130 3.334 . 0 0 "[ . 1 . 2]" 1
597 1 35 GLU HA 1 37 PHE H . . 4.800 4.235 3.861 4.815 0.015 3 0 "[ . 1 . 2]" 1
598 1 35 GLU QB 1 36 GLY HA2 . . 4.800 4.704 4.097 5.043 0.243 1 0 "[ . 1 . 2]" 1
599 1 35 GLU QB 1 36 GLY HA3 . . 5.030 4.543 3.964 4.920 . 0 0 "[ . 1 . 2]" 1
600 1 35 GLU QG 1 36 GLY H . . 5.500 3.787 2.762 4.428 . 0 0 "[ . 1 . 2]" 1
601 1 35 GLU QG 1 36 GLY HA2 . . 5.090 4.507 3.520 5.090 . 0 0 "[ . 1 . 2]" 1
602 1 35 GLU QG 1 36 GLY HA3 . . 4.710 4.446 3.615 5.092 0.382 7 0 "[ . 1 . 2]" 1
603 1 36 GLY H 1 37 PHE H . . 5.500 2.756 1.892 3.887 . 0 0 "[ . 1 . 2]" 1
604 1 37 PHE H 1 37 PHE HB2 . . 3.210 2.248 1.970 2.880 . 0 0 "[ . 1 . 2]" 1
605 1 37 PHE H 1 37 PHE HB3 . . 3.250 2.613 2.122 2.939 . 0 0 "[ . 1 . 2]" 1
606 1 37 PHE H 1 37 PHE QD . . 4.630 3.890 3.588 4.193 . 0 0 "[ . 1 . 2]" 1
607 1 37 PHE H 1 38 GLN H . . 5.500 3.899 2.399 4.673 . 0 0 "[ . 1 . 2]" 1
608 1 37 PHE HA 1 37 PHE QD . . 3.500 2.371 2.091 2.659 . 0 0 "[ . 1 . 2]" 1
609 1 37 PHE HA 1 37 PHE QE . . 4.640 4.472 4.286 4.673 0.033 14 0 "[ . 1 . 2]" 1
610 1 37 PHE HA 1 38 GLN HB3 . . 5.500 5.367 4.142 6.051 0.551 3 3 "[ + . 1 - . * 2]" 1
611 1 37 PHE HA 1 38 GLN QG . . 5.500 4.380 3.412 5.550 0.050 11 0 "[ . 1 . 2]" 1
612 1 37 PHE QD 1 38 GLN HA . . 4.950 4.347 3.529 4.960 0.010 11 0 "[ . 1 . 2]" 1
613 1 37 PHE QD 1 38 GLN QG . . 5.500 5.125 4.319 5.504 0.004 11 0 "[ . 1 . 2]" 1
614 1 37 PHE QD 1 39 GLY QA . . 4.980 3.835 2.811 4.311 . 0 0 "[ . 1 . 2]" 1
615 1 37 PHE QE 1 39 GLY QA . . 3.440 3.141 2.146 3.443 0.003 2 0 "[ . 1 . 2]" 1
616 1 37 PHE HZ 1 39 GLY QA . . 4.760 3.956 2.982 4.758 . 0 0 "[ . 1 . 2]" 1
617 1 38 GLN HA 1 38 GLN HE21 . . 5.500 4.441 2.389 5.239 . 0 0 "[ . 1 . 2]" 1
618 1 38 GLN HA 1 38 GLN QG . . 3.410 2.565 1.966 3.334 . 0 0 "[ . 1 . 2]" 1
619 1 38 GLN HA 1 39 GLY QA . . 5.300 4.108 3.934 4.371 . 0 0 "[ . 1 . 2]" 1
620 1 38 GLN HB2 1 38 GLN HE22 . . 5.400 4.590 3.462 5.241 . 0 0 "[ . 1 . 2]" 1
621 1 38 GLN HB2 1 38 GLN QG . . 2.750 2.324 2.181 2.543 . 0 0 "[ . 1 . 2]" 1
622 1 38 GLN HB3 1 38 GLN HE22 . . 5.500 4.285 3.681 5.387 . 0 0 "[ . 1 . 2]" 1
623 1 38 GLN HB3 1 39 GLY QA . . 5.390 4.665 3.904 5.389 . 0 0 "[ . 1 . 2]" 1
624 1 39 GLY QA 1 40 ASP HA . . 5.070 3.995 3.901 4.327 . 0 0 "[ . 1 . 2]" 1
625 1 39 GLY QA 1 40 ASP HB2 . . 5.500 4.177 3.593 5.451 . 0 0 "[ . 1 . 2]" 1
626 1 40 ASP HA 1 41 LEU H . . 3.430 2.365 2.254 2.642 . 0 0 "[ . 1 . 2]" 1
627 1 40 ASP HB2 1 41 LEU H . . 4.670 4.220 2.199 4.669 . 0 0 "[ . 1 . 2]" 1
628 1 40 ASP HB3 1 41 LEU H . . 4.630 3.602 2.527 4.486 . 0 0 "[ . 1 . 2]" 1
629 1 41 LEU H 1 41 LEU HB2 . . 3.320 3.252 2.468 3.758 0.438 2 0 "[ . 1 . 2]" 1
630 1 41 LEU H 1 41 LEU MD1 . . 4.880 4.361 3.655 4.678 . 0 0 "[ . 1 . 2]" 1
631 1 41 LEU H 1 41 LEU HG . . 4.760 4.248 2.191 4.736 . 0 0 "[ . 1 . 2]" 1
632 1 41 LEU HA 1 41 LEU MD1 . . 3.570 2.592 2.058 4.035 0.465 14 0 "[ . 1 . 2]" 1
633 1 41 LEU HA 1 41 LEU MD2 . . 4.680 3.941 3.573 4.053 . 0 0 "[ . 1 . 2]" 1
634 1 41 LEU HB2 1 41 LEU MD2 . . 3.520 2.668 2.467 3.113 . 0 0 "[ . 1 . 2]" 1
635 1 41 LEU HB2 1 42 LYS H . . 4.630 4.017 3.724 4.563 . 0 0 "[ . 1 . 2]" 1
636 1 41 LEU HB3 1 41 LEU MD2 . . 3.540 2.121 1.973 2.300 . 0 0 "[ . 1 . 2]" 1
637 1 41 LEU HB3 1 42 LYS H . . 4.840 3.525 2.277 4.637 . 0 0 "[ . 1 . 2]" 1
638 1 41 LEU MD1 1 42 LYS H . . 5.480 3.445 2.295 4.689 . 0 0 "[ . 1 . 2]" 1
639 1 41 LEU MD2 1 42 LYS H . . 5.500 3.795 2.792 5.119 . 0 0 "[ . 1 . 2]" 1
640 1 41 LEU HG 1 42 LYS H . . 4.810 2.724 1.950 3.903 . 0 0 "[ . 1 . 2]" 1
641 1 41 LEU HG 1 42 LYS QB . . 3.050 2.736 2.089 2.987 . 0 0 "[ . 1 . 2]" 1
642 1 42 LYS H 1 42 LYS HG2 . . 4.920 4.150 2.784 5.010 0.090 12 0 "[ . 1 . 2]" 1
643 1 42 LYS H 1 42 LYS HG3 . . 5.350 4.266 2.246 4.870 . 0 0 "[ . 1 . 2]" 1
644 1 42 LYS HA 1 42 LYS QD . . 3.780 3.197 2.014 3.787 0.007 10 0 "[ . 1 . 2]" 1
645 1 42 LYS HA 1 42 LYS HG2 . . 4.220 2.641 2.002 4.176 . 0 0 "[ . 1 . 2]" 1
646 1 42 LYS HA 1 42 LYS HG3 . . 3.690 2.948 2.001 3.574 . 0 0 "[ . 1 . 2]" 1
647 1 43 LYS HA 1 43 LYS QG . . 3.770 2.331 1.971 3.356 . 0 0 "[ . 1 . 2]" 1
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