NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
560141 |
2m51   |
19033 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m51
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 1181
_Distance_constraint_stats_list.Viol_count 1871
_Distance_constraint_stats_list.Viol_total 3025.682
_Distance_constraint_stats_list.Viol_max 0.998
_Distance_constraint_stats_list.Viol_rms 0.0336
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0064
_Distance_constraint_stats_list.Viol_average_violations_only 0.0809
_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 3 ARG 4.174 0.115 14 0 "[ . 1 . 2]"
1 4 ARG 5.729 0.854 5 4 "[ * + 1 * . -2]"
1 5 VAL 3.592 0.118 10 0 "[ . 1 . 2]"
1 6 ARG 5.267 0.114 10 0 "[ . 1 . 2]"
1 7 ALA 3.904 0.422 18 0 "[ . 1 . 2]"
1 8 ILE 6.524 0.875 6 1 "[ .+ 1 . 2]"
1 9 LEU 9.354 0.875 6 1 "[ .+ 1 . 2]"
1 10 PRO 5.927 0.365 3 0 "[ . 1 . 2]"
1 11 TYR 2.826 0.162 6 0 "[ . 1 . 2]"
1 12 THR 2.780 0.162 6 0 "[ . 1 . 2]"
1 13 LYS 7.939 0.998 13 4 "[ .* * + . - 2]"
1 14 VAL 3.048 0.134 2 0 "[ . 1 . 2]"
1 15 PRO 1.904 0.087 6 0 "[ . 1 . 2]"
1 16 ASP 0.467 0.081 17 0 "[ . 1 . 2]"
1 17 THR 2.377 0.134 2 0 "[ . 1 . 2]"
1 18 ASP 1.361 0.074 5 0 "[ . 1 . 2]"
1 19 GLU 5.119 0.508 17 1 "[ . 1 . + 2]"
1 20 ILE 8.410 0.945 7 3 "[ . +-*1 . 2]"
1 21 SER 5.932 0.998 13 3 "[ .* - + . 2]"
1 22 PHE 3.697 0.360 7 0 "[ . 1 . 2]"
1 23 LEU 2.046 0.168 9 0 "[ . 1 . 2]"
1 24 LYS 1.508 0.088 18 0 "[ . 1 . 2]"
1 25 GLY 0.495 0.100 15 0 "[ . 1 . 2]"
1 26 ASP 5.974 0.769 9 3 "[ . +1 . -*2]"
1 27 MET 10.653 0.769 9 2 "[ . +1 . *2]"
1 28 PHE 13.129 0.752 9 2 "[ . -+1 . 2]"
1 29 ILE 5.876 0.115 7 0 "[ . 1 . 2]"
1 30 VAL 2.772 0.094 16 0 "[ . 1 . 2]"
1 31 HIS 3.789 0.088 14 0 "[ . 1 . 2]"
1 32 ASN 7.540 0.265 18 0 "[ . 1 . 2]"
1 33 GLU 3.768 0.120 20 0 "[ . 1 . 2]"
1 34 LEU 9.150 0.265 18 0 "[ . 1 . 2]"
1 35 GLU 1.975 0.090 7 0 "[ . 1 . 2]"
1 36 ASP 2.572 0.090 7 0 "[ . 1 . 2]"
1 37 GLY 1.703 0.079 11 0 "[ . 1 . 2]"
1 38 TRP 2.679 0.111 10 0 "[ . 1 . 2]"
1 39 MET 4.949 0.111 10 0 "[ . 1 . 2]"
1 40 TRP 8.660 0.440 18 0 "[ . 1 . 2]"
1 41 VAL 3.097 0.110 6 0 "[ . 1 . 2]"
1 42 THR 1.067 0.084 14 0 "[ . 1 . 2]"
1 43 ASN 6.167 0.634 18 1 "[ . 1 . + 2]"
1 44 LEU 2.189 0.095 16 0 "[ . 1 . 2]"
1 45 ARG 4.599 0.711 8 2 "[ . +-1 . 2]"
1 46 THR 9.269 0.524 19 2 "[ . - . +2]"
1 47 ASP 8.334 0.524 19 2 "[ . - . +2]"
1 48 GLU 3.374 0.945 7 2 "[ . + -1 . 2]"
1 49 GLN 4.699 0.440 18 0 "[ . 1 . 2]"
1 50 GLY 1.129 0.086 3 0 "[ . 1 . 2]"
1 51 LEU 2.281 0.108 12 0 "[ . 1 . 2]"
1 52 ILE 7.501 0.108 18 0 "[ . 1 . 2]"
1 53 VAL 2.917 0.102 10 0 "[ . 1 . 2]"
1 54 GLU 5.559 0.101 7 0 "[ . 1 . 2]"
1 55 ASP 5.324 0.155 10 0 "[ . 1 . 2]"
1 56 LEU 2.215 0.155 10 0 "[ . 1 . 2]"
1 57 VAL 4.776 0.108 19 0 "[ . 1 . 2]"
1 58 GLU 4.279 0.105 8 0 "[ . 1 . 2]"
1 59 GLU 7.294 0.278 18 0 "[ . 1 . 2]"
1 60 VAL 2.639 0.093 3 0 "[ . 1 . 2]"
1 61 GLY 2.944 0.178 8 0 "[ . 1 . 2]"
1 62 ARG 4.208 0.178 8 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 3 ARG H 1 3 ARG QB . . 2.950 2.622 2.184 3.037 0.087 16 0 "[ . 1 . 2]" 1
2 1 3 ARG H 1 3 ARG QD . . 4.910 3.858 2.387 4.742 . 0 0 "[ . 1 . 2]" 1
3 1 3 ARG H 1 3 ARG QG . . 4.160 3.500 1.863 4.252 0.092 11 0 "[ . 1 . 2]" 1
4 1 3 ARG H 1 4 ARG H . . 4.280 4.242 3.036 4.372 0.092 4 0 "[ . 1 . 2]" 1
5 1 3 ARG H 1 30 VAL H . . 4.770 3.913 2.870 4.832 0.062 4 0 "[ . 1 . 2]" 1
6 1 3 ARG H 1 30 VAL HB . . 4.250 3.625 1.818 4.344 0.094 16 0 "[ . 1 . 2]" 1
7 1 3 ARG H 1 30 VAL QG . . 4.590 2.963 1.688 4.434 . 0 0 "[ . 1 . 2]" 1
8 1 3 ARG HA 1 3 ARG QD . . 4.840 3.346 2.104 4.037 . 0 0 "[ . 1 . 2]" 1
9 1 3 ARG HA 1 3 ARG QG . . 3.960 2.874 2.182 3.537 . 0 0 "[ . 1 . 2]" 1
10 1 3 ARG HA 1 4 ARG H . . 2.840 2.547 2.160 2.900 0.060 17 0 "[ . 1 . 2]" 1
11 1 3 ARG HA 1 4 ARG HA . . 5.190 4.549 4.474 4.712 . 0 0 "[ . 1 . 2]" 1
12 1 3 ARG HA 1 4 ARG QB . . 5.350 4.420 3.554 5.028 . 0 0 "[ . 1 . 2]" 1
13 1 3 ARG HA 1 30 VAL H . . 5.250 5.061 4.525 5.329 0.079 15 0 "[ . 1 . 2]" 1
14 1 3 ARG HA 1 30 VAL QG . . 5.260 3.925 3.524 4.354 . 0 0 "[ . 1 . 2]" 1
15 1 3 ARG QB 1 3 ARG QD . . 3.350 2.479 2.062 2.892 . 0 0 "[ . 1 . 2]" 1
16 1 3 ARG QB 1 3 ARG HE . . 4.730 3.616 2.633 4.214 . 0 0 "[ . 1 . 2]" 1
17 1 3 ARG QB 1 4 ARG H . . 3.870 2.942 1.891 3.975 0.105 15 0 "[ . 1 . 2]" 1
18 1 3 ARG QB 1 30 VAL QG . . 4.190 2.598 1.876 3.930 . 0 0 "[ . 1 . 2]" 1
19 1 3 ARG QD 1 4 ARG H . . 5.170 3.127 1.850 4.200 . 0 0 "[ . 1 . 2]" 1
20 1 3 ARG QD 1 30 VAL HB . . 4.660 4.056 2.091 4.588 . 0 0 "[ . 1 . 2]" 1
21 1 3 ARG QD 1 30 VAL QG . . 4.540 2.732 1.874 3.976 . 0 0 "[ . 1 . 2]" 1
22 1 3 ARG HE 1 4 ARG QB . . 4.290 4.281 3.989 4.405 0.115 14 0 "[ . 1 . 2]" 1
23 1 3 ARG QG 1 4 ARG H . . 4.440 3.213 1.812 4.514 0.074 15 0 "[ . 1 . 2]" 1
24 1 3 ARG QG 1 30 VAL QG . . 4.780 2.928 1.815 3.813 . 0 0 "[ . 1 . 2]" 1
25 1 4 ARG H 1 4 ARG QB . . 3.120 2.641 2.345 2.857 . 0 0 "[ . 1 . 2]" 1
26 1 4 ARG H 1 4 ARG QD . . 5.080 4.400 2.837 4.824 . 0 0 "[ . 1 . 2]" 1
27 1 4 ARG H 1 4 ARG HG2 . . 4.150 3.883 2.755 5.004 0.854 5 4 "[ * + 1 * . -2]" 1
28 1 4 ARG H 1 5 VAL H . . 5.250 4.419 4.108 4.678 . 0 0 "[ . 1 . 2]" 1
29 1 4 ARG HA 1 4 ARG QD . . 4.750 3.441 2.160 3.969 . 0 0 "[ . 1 . 2]" 1
30 1 4 ARG HA 1 4 ARG HG2 . . 3.850 2.759 2.240 3.786 . 0 0 "[ . 1 . 2]" 1
31 1 4 ARG HA 1 4 ARG HG3 . . 3.820 3.187 2.053 3.918 0.098 18 0 "[ . 1 . 2]" 1
32 1 4 ARG HA 1 5 VAL H . . 2.990 2.373 2.139 2.540 . 0 0 "[ . 1 . 2]" 1
33 1 4 ARG HA 1 5 VAL HA . . 5.340 4.490 4.373 4.617 . 0 0 "[ . 1 . 2]" 1
34 1 4 ARG HA 1 5 VAL MG2 . . 4.800 3.722 3.419 4.153 . 0 0 "[ . 1 . 2]" 1
35 1 4 ARG HA 1 28 PHE H . . 5.210 4.924 4.447 5.263 0.053 5 0 "[ . 1 . 2]" 1
36 1 4 ARG HA 1 28 PHE HB2 . . 5.160 4.896 4.433 5.226 0.066 8 0 "[ . 1 . 2]" 1
37 1 4 ARG HA 1 29 ILE HA . . 3.480 2.341 2.004 2.706 . 0 0 "[ . 1 . 2]" 1
38 1 4 ARG HA 1 29 ILE MG . . 4.530 3.790 3.230 4.302 . 0 0 "[ . 1 . 2]" 1
39 1 4 ARG HA 1 30 VAL H . . 4.060 2.787 2.309 3.436 . 0 0 "[ . 1 . 2]" 1
40 1 4 ARG HA 1 30 VAL QG . . 3.980 3.081 2.354 3.743 . 0 0 "[ . 1 . 2]" 1
41 1 4 ARG QB 1 4 ARG QD . . 3.180 2.275 2.086 2.559 . 0 0 "[ . 1 . 2]" 1
42 1 4 ARG QB 1 5 VAL H . . 3.520 2.721 2.330 3.591 0.071 12 0 "[ . 1 . 2]" 1
43 1 4 ARG QB 1 5 VAL HA . . 4.200 3.986 3.645 4.275 0.075 4 0 "[ . 1 . 2]" 1
44 1 4 ARG QB 1 60 VAL QG . . 4.080 2.806 2.080 3.773 . 0 0 "[ . 1 . 2]" 1
45 1 4 ARG QD 1 27 MET ME . . 3.880 2.918 1.886 3.705 . 0 0 "[ . 1 . 2]" 1
46 1 4 ARG QD 1 29 ILE HA . . 4.060 3.218 2.039 3.884 . 0 0 "[ . 1 . 2]" 1
47 1 4 ARG QD 1 29 ILE MD . . 4.630 4.418 3.894 4.594 . 0 0 "[ . 1 . 2]" 1
48 1 4 ARG QD 1 29 ILE MG . . 4.530 2.093 1.891 2.820 . 0 0 "[ . 1 . 2]" 1
49 1 4 ARG QD 1 30 VAL H . . 5.500 4.654 3.219 5.326 . 0 0 "[ . 1 . 2]" 1
50 1 5 VAL H 1 5 VAL MG1 . . 4.660 3.337 2.943 3.685 . 0 0 "[ . 1 . 2]" 1
51 1 5 VAL H 1 5 VAL MG2 . . 3.400 2.401 2.287 2.597 . 0 0 "[ . 1 . 2]" 1
52 1 5 VAL H 1 6 ARG H . . 5.080 4.414 4.337 4.480 . 0 0 "[ . 1 . 2]" 1
53 1 5 VAL H 1 28 PHE H . . 3.800 3.127 2.849 3.660 . 0 0 "[ . 1 . 2]" 1
54 1 5 VAL H 1 28 PHE HB2 . . 4.510 3.369 2.842 3.624 . 0 0 "[ . 1 . 2]" 1
55 1 5 VAL H 1 28 PHE HB3 . . 4.940 4.737 3.936 5.017 0.077 14 0 "[ . 1 . 2]" 1
56 1 5 VAL H 1 28 PHE QD . . 5.020 4.371 3.703 5.072 0.052 10 0 "[ . 1 . 2]" 1
57 1 5 VAL H 1 29 ILE HA . . 4.730 3.594 3.121 3.996 . 0 0 "[ . 1 . 2]" 1
58 1 5 VAL H 1 30 VAL H . . 5.060 4.493 4.053 4.889 . 0 0 "[ . 1 . 2]" 1
59 1 5 VAL H 1 30 VAL QG . . 4.480 4.174 3.619 4.486 0.006 14 0 "[ . 1 . 2]" 1
60 1 5 VAL HA 1 5 VAL MG1 . . 3.260 2.298 2.165 2.397 . 0 0 "[ . 1 . 2]" 1
61 1 5 VAL HA 1 6 ARG H . . 3.220 2.456 2.299 2.631 . 0 0 "[ . 1 . 2]" 1
62 1 5 VAL HA 1 6 ARG HB2 . . 4.630 4.314 3.741 4.709 0.079 17 0 "[ . 1 . 2]" 1
63 1 5 VAL HA 1 6 ARG HB3 . . 5.500 4.383 4.006 5.195 . 0 0 "[ . 1 . 2]" 1
64 1 5 VAL HA 1 28 PHE H . . 4.970 4.951 4.823 5.046 0.076 18 0 "[ . 1 . 2]" 1
65 1 5 VAL HA 1 30 VAL QG . . 5.410 5.281 4.815 5.441 0.031 12 0 "[ . 1 . 2]" 1
66 1 5 VAL HA 1 57 VAL HB . . 4.690 4.413 4.096 4.715 0.025 10 0 "[ . 1 . 2]" 1
67 1 5 VAL HA 1 57 VAL MG2 . . 5.250 4.924 4.665 5.317 0.067 15 0 "[ . 1 . 2]" 1
68 1 5 VAL HA 1 59 GLU HA . . 3.410 3.240 3.053 3.477 0.067 18 0 "[ . 1 . 2]" 1
69 1 5 VAL HA 1 60 VAL H . . 3.480 2.523 2.199 2.901 . 0 0 "[ . 1 . 2]" 1
70 1 5 VAL HA 1 60 VAL HB . . 4.620 3.837 3.299 4.676 0.056 10 0 "[ . 1 . 2]" 1
71 1 5 VAL HA 1 60 VAL QG . . 3.320 2.244 2.005 2.905 . 0 0 "[ . 1 . 2]" 1
72 1 5 VAL HB 1 6 ARG H . . 3.410 2.457 2.135 2.741 . 0 0 "[ . 1 . 2]" 1
73 1 5 VAL HB 1 57 VAL HA . . 4.570 4.496 4.203 4.648 0.078 16 0 "[ . 1 . 2]" 1
74 1 5 VAL HB 1 57 VAL MG1 . . 4.660 3.350 2.852 3.767 . 0 0 "[ . 1 . 2]" 1
75 1 5 VAL HB 1 57 VAL MG2 . . 3.200 2.924 2.664 3.279 0.079 15 0 "[ . 1 . 2]" 1
76 1 5 VAL HB 1 58 GLU H . . 4.220 3.443 2.861 3.903 . 0 0 "[ . 1 . 2]" 1
77 1 5 VAL HB 1 59 GLU HA . . 4.650 4.111 3.437 4.711 0.061 8 0 "[ . 1 . 2]" 1
78 1 5 VAL HB 1 60 VAL H . . 5.320 4.321 3.818 4.876 . 0 0 "[ . 1 . 2]" 1
79 1 5 VAL MG1 1 6 ARG H . . 4.080 3.565 3.019 3.854 . 0 0 "[ . 1 . 2]" 1
80 1 5 VAL MG1 1 39 MET ME . . 3.990 3.380 2.770 4.101 0.111 10 0 "[ . 1 . 2]" 1
81 1 5 VAL MG1 1 59 GLU H . . 5.080 4.197 3.616 4.701 . 0 0 "[ . 1 . 2]" 1
82 1 5 VAL MG1 1 59 GLU HA . . 3.220 2.317 1.923 2.630 . 0 0 "[ . 1 . 2]" 1
83 1 5 VAL MG1 1 59 GLU QB . . 4.800 3.911 2.907 4.427 . 0 0 "[ . 1 . 2]" 1
84 1 5 VAL MG1 1 59 GLU HG2 . . 5.030 3.584 2.848 5.129 0.099 10 0 "[ . 1 . 2]" 1
85 1 5 VAL MG1 1 59 GLU HG3 . . 4.930 4.471 3.884 5.048 0.118 10 0 "[ . 1 . 2]" 1
86 1 5 VAL MG1 1 60 VAL H . . 3.830 3.355 2.864 3.863 0.033 16 0 "[ . 1 . 2]" 1
87 1 5 VAL MG2 1 6 ARG H . . 4.260 3.611 3.285 4.015 . 0 0 "[ . 1 . 2]" 1
88 1 5 VAL MG2 1 6 ARG HA . . 5.330 4.244 3.882 4.877 . 0 0 "[ . 1 . 2]" 1
89 1 5 VAL MG2 1 28 PHE H . . 3.990 3.463 3.174 3.835 . 0 0 "[ . 1 . 2]" 1
90 1 5 VAL MG2 1 28 PHE HB2 . . 3.420 2.228 2.027 2.507 . 0 0 "[ . 1 . 2]" 1
91 1 5 VAL MG2 1 28 PHE HB3 . . 3.870 3.572 3.095 3.923 0.053 19 0 "[ . 1 . 2]" 1
92 1 5 VAL MG2 1 28 PHE QD . . 3.450 2.387 2.113 3.258 . 0 0 "[ . 1 . 2]" 1
93 1 5 VAL MG2 1 39 MET ME . . 4.320 2.903 2.231 3.923 . 0 0 "[ . 1 . 2]" 1
94 1 5 VAL MG2 1 57 VAL MG1 . . 3.890 2.629 2.237 3.480 . 0 0 "[ . 1 . 2]" 1
95 1 5 VAL MG2 1 59 GLU HA . . 5.370 4.963 4.633 5.319 . 0 0 "[ . 1 . 2]" 1
96 1 6 ARG H 1 6 ARG HB2 . . 3.590 3.157 2.362 3.414 . 0 0 "[ . 1 . 2]" 1
97 1 6 ARG H 1 6 ARG HB3 . . 3.980 2.597 2.366 3.212 . 0 0 "[ . 1 . 2]" 1
98 1 6 ARG H 1 6 ARG QD . . 5.450 4.871 4.507 5.334 . 0 0 "[ . 1 . 2]" 1
99 1 6 ARG H 1 6 ARG QG . . 4.710 3.992 3.796 4.206 . 0 0 "[ . 1 . 2]" 1
100 1 6 ARG H 1 7 ALA H . . 4.920 4.441 4.358 4.662 . 0 0 "[ . 1 . 2]" 1
101 1 6 ARG H 1 57 VAL HA . . 4.490 4.211 3.935 4.462 . 0 0 "[ . 1 . 2]" 1
102 1 6 ARG H 1 57 VAL HB . . 3.840 3.072 2.569 3.468 . 0 0 "[ . 1 . 2]" 1
103 1 6 ARG H 1 57 VAL MG1 . . 5.500 4.057 3.673 4.690 . 0 0 "[ . 1 . 2]" 1
104 1 6 ARG H 1 58 GLU H . . 3.460 2.501 2.289 2.721 . 0 0 "[ . 1 . 2]" 1
105 1 6 ARG H 1 58 GLU HA . . 4.940 4.712 4.558 4.955 0.015 10 0 "[ . 1 . 2]" 1
106 1 6 ARG H 1 58 GLU HG2 . . 4.910 3.527 2.954 3.994 . 0 0 "[ . 1 . 2]" 1
107 1 6 ARG H 1 58 GLU HG3 . . 4.710 3.012 2.417 3.709 . 0 0 "[ . 1 . 2]" 1
108 1 6 ARG H 1 59 GLU HA . . 4.390 4.413 4.206 4.480 0.090 18 0 "[ . 1 . 2]" 1
109 1 6 ARG H 1 60 VAL H . . 4.680 3.431 2.803 4.260 . 0 0 "[ . 1 . 2]" 1
110 1 6 ARG H 1 60 VAL QG . . 3.750 2.928 2.151 3.277 . 0 0 "[ . 1 . 2]" 1
111 1 6 ARG HA 1 6 ARG QG . . 3.910 2.638 2.340 3.219 . 0 0 "[ . 1 . 2]" 1
112 1 6 ARG HA 1 7 ALA H . . 3.110 2.307 2.214 2.428 . 0 0 "[ . 1 . 2]" 1
113 1 6 ARG HA 1 7 ALA HA . . 5.350 4.464 4.386 4.556 . 0 0 "[ . 1 . 2]" 1
114 1 6 ARG HA 1 7 ALA MB . . 4.300 4.086 3.904 4.168 . 0 0 "[ . 1 . 2]" 1
115 1 6 ARG HA 1 8 ILE MG . . 5.500 5.241 4.774 5.596 0.096 19 0 "[ . 1 . 2]" 1
116 1 6 ARG HA 1 27 MET H . . 5.480 4.848 4.622 5.235 . 0 0 "[ . 1 . 2]" 1
117 1 6 ARG HA 1 27 MET HA . . 3.270 2.158 2.002 2.636 . 0 0 "[ . 1 . 2]" 1
118 1 6 ARG HA 1 27 MET HB2 . . 4.870 4.048 2.199 4.948 0.078 18 0 "[ . 1 . 2]" 1
119 1 6 ARG HA 1 27 MET HB3 . . 4.840 4.461 2.497 4.954 0.114 10 0 "[ . 1 . 2]" 1
120 1 6 ARG HA 1 27 MET ME . . 4.580 4.289 3.646 4.680 0.100 3 0 "[ . 1 . 2]" 1
121 1 6 ARG HA 1 27 MET HG2 . . 4.670 3.491 2.097 4.772 0.102 19 0 "[ . 1 . 2]" 1
122 1 6 ARG HA 1 27 MET HG3 . . 4.600 3.141 2.398 4.688 0.088 9 0 "[ . 1 . 2]" 1
123 1 6 ARG HA 1 28 PHE H . . 4.070 3.284 2.732 3.862 . 0 0 "[ . 1 . 2]" 1
124 1 6 ARG HA 1 28 PHE QD . . 4.670 3.724 2.984 4.744 0.074 9 0 "[ . 1 . 2]" 1
125 1 6 ARG HA 1 60 VAL QG . . 4.640 3.624 3.427 3.882 . 0 0 "[ . 1 . 2]" 1
126 1 6 ARG HB2 1 6 ARG QD . . 3.810 2.670 2.305 3.275 . 0 0 "[ . 1 . 2]" 1
127 1 6 ARG HB2 1 6 ARG HE . . 5.130 2.694 2.061 4.651 . 0 0 "[ . 1 . 2]" 1
128 1 6 ARG HB2 1 7 ALA H . . 4.870 4.264 4.027 4.684 . 0 0 "[ . 1 . 2]" 1
129 1 6 ARG HB2 1 58 GLU HG2 . . 4.540 4.225 3.242 4.597 0.057 19 0 "[ . 1 . 2]" 1
130 1 6 ARG HB2 1 60 VAL H . . 5.030 4.625 4.032 5.113 0.083 10 0 "[ . 1 . 2]" 1
131 1 6 ARG HB2 1 60 VAL QG . . 3.280 2.146 1.984 2.340 . 0 0 "[ . 1 . 2]" 1
132 1 6 ARG HB2 1 62 ARG QD . . 4.600 4.601 4.030 4.696 0.096 20 0 "[ . 1 . 2]" 1
133 1 6 ARG HB3 1 6 ARG HE . . 5.150 3.809 2.929 4.506 . 0 0 "[ . 1 . 2]" 1
134 1 6 ARG HB3 1 7 ALA H . . 4.780 4.252 3.909 4.434 . 0 0 "[ . 1 . 2]" 1
135 1 6 ARG HB3 1 60 VAL QG . . 4.350 2.745 2.016 3.401 . 0 0 "[ . 1 . 2]" 1
136 1 6 ARG QD 1 27 MET ME . . 5.030 4.669 3.203 5.134 0.104 4 0 "[ . 1 . 2]" 1
137 1 6 ARG HE 1 27 MET HA . . 4.930 4.881 4.320 5.012 0.082 6 0 "[ . 1 . 2]" 1
138 1 6 ARG HE 1 27 MET ME . . 4.590 3.673 1.867 4.462 . 0 0 "[ . 1 . 2]" 1
139 1 6 ARG HE 1 60 VAL QG . . 4.910 2.758 2.047 3.800 . 0 0 "[ . 1 . 2]" 1
140 1 6 ARG HE 1 62 ARG QB . . 4.790 4.582 4.118 4.683 . 0 0 "[ . 1 . 2]" 1
141 1 6 ARG HE 1 62 ARG QD . . 4.310 3.334 2.812 4.231 . 0 0 "[ . 1 . 2]" 1
142 1 6 ARG QG 1 7 ALA H . . 4.070 2.786 2.333 4.107 0.037 8 0 "[ . 1 . 2]" 1
143 1 6 ARG QG 1 27 MET HA . . 5.300 3.719 2.633 4.908 . 0 0 "[ . 1 . 2]" 1
144 1 7 ALA H 1 7 ALA MB . . 3.250 2.216 2.061 2.368 . 0 0 "[ . 1 . 2]" 1
145 1 7 ALA H 1 8 ILE MG . . 5.500 4.656 4.356 4.948 . 0 0 "[ . 1 . 2]" 1
146 1 7 ALA H 1 9 LEU H . . 5.500 5.550 5.338 5.580 0.080 10 0 "[ . 1 . 2]" 1
147 1 7 ALA H 1 25 GLY H . . 4.930 4.125 3.814 4.538 . 0 0 "[ . 1 . 2]" 1
148 1 7 ALA H 1 25 GLY HA2 . . 5.210 4.825 4.301 5.292 0.082 1 0 "[ . 1 . 2]" 1
149 1 7 ALA H 1 26 ASP H . . 4.550 3.806 3.189 4.380 . 0 0 "[ . 1 . 2]" 1
150 1 7 ALA H 1 26 ASP HB2 . . 5.030 4.462 3.821 5.452 0.422 18 0 "[ . 1 . 2]" 1
151 1 7 ALA H 1 27 MET HA . . 4.140 3.087 2.409 3.338 . 0 0 "[ . 1 . 2]" 1
152 1 7 ALA H 1 28 PHE QD . . 4.810 3.979 3.543 4.748 . 0 0 "[ . 1 . 2]" 1
153 1 7 ALA H 1 28 PHE QE . . 4.060 3.400 2.537 4.157 0.097 10 0 "[ . 1 . 2]" 1
154 1 7 ALA H 1 57 VAL MG1 . . 5.040 3.721 3.221 4.928 . 0 0 "[ . 1 . 2]" 1
155 1 7 ALA HA 1 8 ILE H . . 3.140 2.176 2.105 2.347 . 0 0 "[ . 1 . 2]" 1
156 1 7 ALA HA 1 8 ILE MD . . 3.950 3.365 2.856 3.711 . 0 0 "[ . 1 . 2]" 1
157 1 7 ALA HA 1 8 ILE QG . . 4.860 4.795 4.408 4.956 0.096 9 0 "[ . 1 . 2]" 1
158 1 7 ALA HA 1 8 ILE MG . . 3.900 3.784 3.339 3.991 0.091 6 0 "[ . 1 . 2]" 1
159 1 7 ALA HA 1 9 LEU H . . 3.960 3.543 3.317 3.955 . 0 0 "[ . 1 . 2]" 1
160 1 7 ALA HA 1 28 PHE QE . . 4.990 3.436 2.962 4.002 . 0 0 "[ . 1 . 2]" 1
161 1 7 ALA HA 1 57 VAL H . . 4.960 4.769 4.498 5.042 0.082 13 0 "[ . 1 . 2]" 1
162 1 7 ALA HA 1 57 VAL HA . . 3.350 2.272 1.910 2.529 . 0 0 "[ . 1 . 2]" 1
163 1 7 ALA HA 1 57 VAL HB . . 4.510 3.789 3.477 4.136 . 0 0 "[ . 1 . 2]" 1
164 1 7 ALA HA 1 57 VAL MG1 . . 3.280 2.218 2.067 2.879 . 0 0 "[ . 1 . 2]" 1
165 1 7 ALA MB 1 8 ILE H . . 3.810 2.996 2.583 3.246 . 0 0 "[ . 1 . 2]" 1
166 1 7 ALA MB 1 8 ILE HA . . 4.980 4.024 3.713 4.230 . 0 0 "[ . 1 . 2]" 1
167 1 7 ALA MB 1 9 LEU H . . 3.620 2.696 2.461 3.172 . 0 0 "[ . 1 . 2]" 1
168 1 7 ALA MB 1 24 LYS HA . . 3.470 2.845 2.366 3.513 0.043 15 0 "[ . 1 . 2]" 1
169 1 7 ALA MB 1 25 GLY H . . 3.540 2.812 2.180 3.640 0.100 15 0 "[ . 1 . 2]" 1
170 1 7 ALA MB 1 25 GLY HA2 . . 5.310 4.342 3.576 5.356 0.046 7 0 "[ . 1 . 2]" 1
171 1 7 ALA MB 1 26 ASP H . . 3.510 2.532 1.925 3.510 . 0 0 "[ . 1 . 2]" 1
172 1 7 ALA MB 1 26 ASP HB2 . . 4.080 3.039 2.301 4.406 0.326 18 0 "[ . 1 . 2]" 1
173 1 7 ALA MB 1 28 PHE QE . . 3.440 2.165 1.920 2.720 . 0 0 "[ . 1 . 2]" 1
174 1 7 ALA MB 1 28 PHE HZ . . 4.250 2.945 2.259 3.962 . 0 0 "[ . 1 . 2]" 1
175 1 7 ALA MB 1 57 VAL HA . . 4.540 3.934 3.312 4.226 . 0 0 "[ . 1 . 2]" 1
176 1 7 ALA MB 1 57 VAL MG1 . . 4.320 2.823 2.154 3.577 . 0 0 "[ . 1 . 2]" 1
177 1 8 ILE H 1 8 ILE HB . . 4.170 3.846 3.701 3.931 . 0 0 "[ . 1 . 2]" 1
178 1 8 ILE H 1 8 ILE MD . . 3.610 2.163 1.973 2.404 . 0 0 "[ . 1 . 2]" 1
179 1 8 ILE H 1 8 ILE QG . . 3.810 2.881 2.419 3.105 . 0 0 "[ . 1 . 2]" 1
180 1 8 ILE H 1 8 ILE MG . . 3.490 2.888 2.680 3.172 . 0 0 "[ . 1 . 2]" 1
181 1 8 ILE H 1 9 LEU H . . 3.150 2.200 2.036 2.454 . 0 0 "[ . 1 . 2]" 1
182 1 8 ILE H 1 9 LEU HB2 . . 5.050 4.180 3.831 5.925 0.875 6 1 "[ .+ 1 . 2]" 1
183 1 8 ILE H 1 28 PHE QE . . 5.500 5.391 5.071 5.588 0.088 13 0 "[ . 1 . 2]" 1
184 1 8 ILE H 1 56 LEU HA . . 4.940 4.343 4.111 4.865 . 0 0 "[ . 1 . 2]" 1
185 1 8 ILE H 1 56 LEU HB2 . . 5.170 4.969 4.678 5.237 0.067 6 0 "[ . 1 . 2]" 1
186 1 8 ILE H 1 57 VAL H . . 5.180 4.743 4.549 5.101 . 0 0 "[ . 1 . 2]" 1
187 1 8 ILE H 1 57 VAL HA . . 3.380 2.773 2.508 3.067 . 0 0 "[ . 1 . 2]" 1
188 1 8 ILE H 1 57 VAL MG1 . . 3.780 3.764 3.585 3.874 0.094 13 0 "[ . 1 . 2]" 1
189 1 8 ILE H 1 58 GLU H . . 5.070 4.469 3.857 5.015 . 0 0 "[ . 1 . 2]" 1
190 1 8 ILE HA 1 8 ILE HB . . 3.020 2.348 2.259 2.432 . 0 0 "[ . 1 . 2]" 1
191 1 8 ILE HA 1 8 ILE QG . . 3.870 3.443 3.351 3.480 . 0 0 "[ . 1 . 2]" 1
192 1 8 ILE HA 1 8 ILE MG . . 3.090 2.318 2.240 2.425 . 0 0 "[ . 1 . 2]" 1
193 1 8 ILE HA 1 9 LEU HA . . 4.600 4.459 4.301 4.664 0.064 6 0 "[ . 1 . 2]" 1
194 1 8 ILE HA 1 24 LYS QE . . 4.400 3.008 2.286 4.040 . 0 0 "[ . 1 . 2]" 1
195 1 8 ILE HA 1 24 LYS HG2 . . 4.930 3.820 3.564 4.473 . 0 0 "[ . 1 . 2]" 1
196 1 8 ILE HA 1 24 LYS HG3 . . 4.460 2.423 2.164 3.824 . 0 0 "[ . 1 . 2]" 1
197 1 8 ILE HA 1 25 GLY H . . 4.890 3.402 2.885 4.476 . 0 0 "[ . 1 . 2]" 1
198 1 8 ILE HB 1 8 ILE MD . . 3.230 3.212 3.137 3.254 0.024 16 0 "[ . 1 . 2]" 1
199 1 8 ILE HB 1 9 LEU H . . 4.570 4.461 4.311 4.543 . 0 0 "[ . 1 . 2]" 1
200 1 8 ILE HB 1 9 LEU HA . . 5.260 5.212 5.097 5.328 0.068 3 0 "[ . 1 . 2]" 1
201 1 8 ILE HB 1 9 LEU HG . . 4.760 4.518 3.968 4.845 0.085 6 0 "[ . 1 . 2]" 1
202 1 8 ILE HB 1 24 LYS QE . . 4.900 3.025 2.535 3.944 . 0 0 "[ . 1 . 2]" 1
203 1 8 ILE MD 1 9 LEU H . . 4.350 3.859 3.597 4.155 . 0 0 "[ . 1 . 2]" 1
204 1 8 ILE MD 1 56 LEU HA . . 3.670 3.207 2.908 3.601 . 0 0 "[ . 1 . 2]" 1
205 1 8 ILE MD 1 57 VAL H . . 4.490 3.205 2.906 3.499 . 0 0 "[ . 1 . 2]" 1
206 1 8 ILE MD 1 57 VAL HA . . 3.940 2.279 2.177 2.413 . 0 0 "[ . 1 . 2]" 1
207 1 8 ILE MD 1 58 GLU H . . 4.240 3.126 2.819 3.306 . 0 0 "[ . 1 . 2]" 1
208 1 8 ILE MD 1 58 GLU HB3 . . 4.090 2.441 2.201 2.708 . 0 0 "[ . 1 . 2]" 1
209 1 8 ILE MD 1 59 GLU H . . 5.470 5.312 5.142 5.534 0.064 3 0 "[ . 1 . 2]" 1
210 1 8 ILE QG 1 9 LEU H . . 4.190 3.450 3.142 3.720 . 0 0 "[ . 1 . 2]" 1
211 1 8 ILE QG 1 9 LEU HG . . 4.180 3.329 2.608 4.156 . 0 0 "[ . 1 . 2]" 1
212 1 8 ILE QG 1 56 LEU HA . . 4.320 3.834 3.121 4.398 0.078 3 0 "[ . 1 . 2]" 1
213 1 8 ILE QG 1 57 VAL HA . . 4.670 4.369 3.911 4.615 . 0 0 "[ . 1 . 2]" 1
214 1 8 ILE MG 1 9 LEU H . . 4.480 4.356 4.288 4.467 . 0 0 "[ . 1 . 2]" 1
215 1 8 ILE MG 1 24 LYS QE . . 5.480 3.905 3.084 4.825 . 0 0 "[ . 1 . 2]" 1
216 1 8 ILE MG 1 25 GLY H . . 5.500 4.563 4.003 5.417 . 0 0 "[ . 1 . 2]" 1
217 1 8 ILE MG 1 57 VAL H . . 5.450 5.459 4.974 5.551 0.101 7 0 "[ . 1 . 2]" 1
218 1 8 ILE MG 1 57 VAL HA . . 3.830 3.491 3.260 3.666 . 0 0 "[ . 1 . 2]" 1
219 1 8 ILE MG 1 58 GLU H . . 3.880 3.337 2.843 3.796 . 0 0 "[ . 1 . 2]" 1
220 1 8 ILE MG 1 58 GLU HB3 . . 3.450 2.703 2.166 3.141 . 0 0 "[ . 1 . 2]" 1
221 1 8 ILE MG 1 58 GLU HG2 . . 4.320 2.282 2.125 2.569 . 0 0 "[ . 1 . 2]" 1
222 1 8 ILE MG 1 58 GLU HG3 . . 3.640 3.694 3.571 3.745 0.105 8 0 "[ . 1 . 2]" 1
223 1 9 LEU H 1 9 LEU HB2 . . 3.650 2.817 2.653 4.034 0.384 6 0 "[ . 1 . 2]" 1
224 1 9 LEU H 1 9 LEU QD . . 4.420 3.843 3.305 3.995 . 0 0 "[ . 1 . 2]" 1
225 1 9 LEU H 1 10 PRO QD . . 5.500 4.299 4.250 4.340 . 0 0 "[ . 1 . 2]" 1
226 1 9 LEU H 1 24 LYS HA . . 4.270 3.183 2.833 3.551 . 0 0 "[ . 1 . 2]" 1
227 1 9 LEU H 1 25 GLY H . . 4.980 4.390 3.950 4.974 . 0 0 "[ . 1 . 2]" 1
228 1 9 LEU H 1 57 VAL HA . . 5.320 4.740 4.340 5.049 . 0 0 "[ . 1 . 2]" 1
229 1 9 LEU H 1 57 VAL MG1 . . 5.500 4.813 4.567 5.196 . 0 0 "[ . 1 . 2]" 1
230 1 9 LEU HA 1 9 LEU QD . . 2.950 2.460 2.112 3.001 0.051 6 0 "[ . 1 . 2]" 1
231 1 9 LEU HA 1 9 LEU HG . . 4.120 2.642 2.265 3.662 . 0 0 "[ . 1 . 2]" 1
232 1 9 LEU HA 1 10 PRO QD . . 3.440 2.121 2.090 2.170 . 0 0 "[ . 1 . 2]" 1
233 1 9 LEU HA 1 10 PRO HG2 . . 4.400 4.669 4.483 4.765 0.365 3 0 "[ . 1 . 2]" 1
234 1 9 LEU HA 1 24 LYS H . . 4.400 4.416 3.992 4.488 0.088 18 0 "[ . 1 . 2]" 1
235 1 9 LEU HA 1 24 LYS HA . . 4.340 3.611 2.890 3.967 . 0 0 "[ . 1 . 2]" 1
236 1 9 LEU HA 1 24 LYS HB2 . . 3.980 2.402 2.113 3.053 . 0 0 "[ . 1 . 2]" 1
237 1 9 LEU HA 1 24 LYS HB3 . . 4.300 4.114 3.869 4.369 0.069 6 0 "[ . 1 . 2]" 1
238 1 9 LEU HA 1 24 LYS HD2 . . 4.640 2.827 2.460 3.194 . 0 0 "[ . 1 . 2]" 1
239 1 9 LEU HA 1 24 LYS HD3 . . 4.770 4.403 3.996 4.708 . 0 0 "[ . 1 . 2]" 1
240 1 9 LEU HA 1 24 LYS QE . . 5.070 3.971 2.718 4.380 . 0 0 "[ . 1 . 2]" 1
241 1 9 LEU HA 1 24 LYS HG2 . . 5.400 4.716 3.853 4.962 . 0 0 "[ . 1 . 2]" 1
242 1 9 LEU HA 1 24 LYS HG3 . . 4.720 3.416 2.155 3.759 . 0 0 "[ . 1 . 2]" 1
243 1 9 LEU HB2 1 9 LEU QD . . 3.260 2.191 1.970 2.287 . 0 0 "[ . 1 . 2]" 1
244 1 9 LEU HB2 1 10 PRO QD . . 4.260 3.664 2.271 3.896 . 0 0 "[ . 1 . 2]" 1
245 1 9 LEU HB3 1 9 LEU QD . . 3.170 2.150 2.121 2.203 . 0 0 "[ . 1 . 2]" 1
246 1 9 LEU HB3 1 10 PRO QD . . 3.720 2.393 2.136 3.609 . 0 0 "[ . 1 . 2]" 1
247 1 9 LEU QD 1 10 PRO QD . . 3.580 2.114 1.984 2.340 . 0 0 "[ . 1 . 2]" 1
248 1 9 LEU QD 1 24 LYS QE . . 4.650 4.023 3.338 4.479 . 0 0 "[ . 1 . 2]" 1
249 1 9 LEU QD 1 56 LEU HA . . 4.360 3.308 2.726 4.307 . 0 0 "[ . 1 . 2]" 1
250 1 9 LEU HG 1 10 PRO QD . . 5.130 3.750 3.243 4.357 . 0 0 "[ . 1 . 2]" 1
251 1 10 PRO HA 1 11 TYR H . . 3.130 2.427 2.213 2.525 . 0 0 "[ . 1 . 2]" 1
252 1 10 PRO HA 1 22 PHE H . . 4.950 4.788 4.552 5.024 0.074 16 0 "[ . 1 . 2]" 1
253 1 10 PRO HA 1 24 LYS H . . 4.140 3.175 2.914 3.429 . 0 0 "[ . 1 . 2]" 1
254 1 10 PRO HB2 1 11 TYR H . . 3.900 2.808 2.584 3.445 . 0 0 "[ . 1 . 2]" 1
255 1 10 PRO HB2 1 23 LEU HA . . 3.870 3.096 2.732 3.487 . 0 0 "[ . 1 . 2]" 1
256 1 10 PRO HB2 1 23 LEU QD . . 4.100 3.074 2.507 3.782 . 0 0 "[ . 1 . 2]" 1
257 1 10 PRO HB2 1 24 LYS H . . 4.160 4.107 3.846 4.231 0.071 12 0 "[ . 1 . 2]" 1
258 1 10 PRO HB3 1 11 TYR H . . 4.470 3.780 3.613 4.054 . 0 0 "[ . 1 . 2]" 1
259 1 10 PRO HB3 1 23 LEU HA . . 3.990 2.264 2.035 2.509 . 0 0 "[ . 1 . 2]" 1
260 1 10 PRO HB3 1 23 LEU QD . . 3.920 2.687 2.265 3.294 . 0 0 "[ . 1 . 2]" 1
261 1 10 PRO HB3 1 24 LYS H . . 3.860 2.385 2.089 2.524 . 0 0 "[ . 1 . 2]" 1
262 1 10 PRO QD 1 24 LYS H . . 4.910 3.346 2.951 3.607 . 0 0 "[ . 1 . 2]" 1
263 1 10 PRO QD 1 24 LYS HB2 . . 4.240 2.306 2.095 2.530 . 0 0 "[ . 1 . 2]" 1
264 1 10 PRO QD 1 24 LYS HB3 . . 4.540 3.549 3.295 3.869 . 0 0 "[ . 1 . 2]" 1
265 1 10 PRO QD 1 24 LYS HD2 . . 5.500 3.373 2.423 3.820 . 0 0 "[ . 1 . 2]" 1
266 1 10 PRO HG3 1 24 LYS H . . 5.370 4.051 3.592 4.326 . 0 0 "[ . 1 . 2]" 1
267 1 11 TYR H 1 11 TYR HB2 . . 4.050 3.243 2.798 3.389 . 0 0 "[ . 1 . 2]" 1
268 1 11 TYR H 1 11 TYR HB3 . . 3.890 2.881 2.510 3.100 . 0 0 "[ . 1 . 2]" 1
269 1 11 TYR H 1 11 TYR QD . . 4.880 4.439 4.193 4.529 . 0 0 "[ . 1 . 2]" 1
270 1 11 TYR H 1 12 THR H . . 4.890 4.333 4.127 4.476 . 0 0 "[ . 1 . 2]" 1
271 1 11 TYR H 1 22 PHE H . . 3.560 3.115 2.693 3.623 0.063 2 0 "[ . 1 . 2]" 1
272 1 11 TYR H 1 23 LEU QD . . 5.070 4.139 3.543 4.977 . 0 0 "[ . 1 . 2]" 1
273 1 11 TYR HA 1 11 TYR QD . . 3.860 2.724 2.247 3.208 . 0 0 "[ . 1 . 2]" 1
274 1 11 TYR HA 1 11 TYR QR . . 3.630 2.704 2.240 3.172 . 0 0 "[ . 1 . 2]" 1
275 1 11 TYR HA 1 12 THR H . . 3.060 2.446 2.154 2.704 . 0 0 "[ . 1 . 2]" 1
276 1 11 TYR HA 1 12 THR HB . . 5.150 4.398 3.785 4.705 . 0 0 "[ . 1 . 2]" 1
277 1 11 TYR HA 1 56 LEU MD1 . . 4.880 3.609 2.624 4.355 . 0 0 "[ . 1 . 2]" 1
278 1 11 TYR HB2 1 12 THR H . . 4.820 3.973 3.675 4.422 . 0 0 "[ . 1 . 2]" 1
279 1 11 TYR HB2 1 22 PHE H . . 5.380 4.833 3.993 5.441 0.061 2 0 "[ . 1 . 2]" 1
280 1 11 TYR HB3 1 12 THR H . . 5.370 3.612 3.135 4.304 . 0 0 "[ . 1 . 2]" 1
281 1 11 TYR HB3 1 22 PHE H . . 4.180 3.343 2.590 3.915 . 0 0 "[ . 1 . 2]" 1
282 1 11 TYR QR 1 12 THR MG . . 4.450 4.325 3.642 4.612 0.162 6 0 "[ . 1 . 2]" 1
283 1 11 TYR QR 1 13 LYS HA . . 3.390 2.695 1.993 3.470 0.080 16 0 "[ . 1 . 2]" 1
284 1 11 TYR QR 1 13 LYS HB2 . . 5.220 4.206 2.854 5.299 0.079 16 0 "[ . 1 . 2]" 1
285 1 11 TYR QR 1 19 GLU HB3 . . 4.580 3.834 2.692 4.414 . 0 0 "[ . 1 . 2]" 1
286 1 11 TYR QR 1 56 LEU MD1 . . 3.730 2.167 1.982 3.041 . 0 0 "[ . 1 . 2]" 1
287 1 11 TYR QD 1 12 THR H . . 4.990 2.934 2.292 3.770 . 0 0 "[ . 1 . 2]" 1
288 1 11 TYR QD 1 13 LYS H . . 5.010 3.991 3.188 5.053 0.043 16 0 "[ . 1 . 2]" 1
289 1 11 TYR QD 1 22 PHE H . . 4.500 4.230 3.216 4.601 0.101 16 0 "[ . 1 . 2]" 1
290 1 11 TYR QE 1 13 LYS HA . . 3.970 2.820 2.013 3.675 . 0 0 "[ . 1 . 2]" 1
291 1 11 TYR QE 1 14 VAL H . . 4.490 4.187 3.598 4.563 0.073 8 0 "[ . 1 . 2]" 1
292 1 11 TYR QE 1 19 GLU HB3 . . 4.780 4.066 2.715 4.858 0.078 11 0 "[ . 1 . 2]" 1
293 1 11 TYR QE 1 19 GLU QG . . 5.500 4.384 3.291 5.155 . 0 0 "[ . 1 . 2]" 1
294 1 11 TYR QE 1 56 LEU MD1 . . 5.240 3.383 2.794 4.249 . 0 0 "[ . 1 . 2]" 1
295 1 12 THR H 1 12 THR HB . . 3.390 2.744 2.442 3.351 . 0 0 "[ . 1 . 2]" 1
296 1 12 THR H 1 12 THR MG . . 4.370 3.308 2.200 3.887 . 0 0 "[ . 1 . 2]" 1
297 1 12 THR H 1 13 LYS H . . 5.390 4.172 3.645 4.579 . 0 0 "[ . 1 . 2]" 1
298 1 12 THR HA 1 12 THR MG . . 3.090 2.700 2.209 3.203 0.113 1 0 "[ . 1 . 2]" 1
299 1 12 THR HA 1 13 LYS H . . 3.060 2.200 2.058 2.345 . 0 0 "[ . 1 . 2]" 1
300 1 12 THR HA 1 13 LYS HG2 . . 5.230 4.510 3.877 5.254 0.024 7 0 "[ . 1 . 2]" 1
301 1 12 THR HA 1 21 SER HB3 . . 4.450 2.892 2.147 3.980 . 0 0 "[ . 1 . 2]" 1
302 1 12 THR HA 1 22 PHE H . . 4.940 4.195 3.370 5.001 0.061 12 0 "[ . 1 . 2]" 1
303 1 12 THR HB 1 13 LYS H . . 5.500 4.389 3.900 4.571 . 0 0 "[ . 1 . 2]" 1
304 1 12 THR MG 1 13 LYS H . . 3.550 3.350 2.891 3.662 0.112 13 0 "[ . 1 . 2]" 1
305 1 13 LYS H 1 13 LYS HB2 . . 3.800 3.633 3.533 3.744 . 0 0 "[ . 1 . 2]" 1
306 1 13 LYS H 1 13 LYS QE . . 5.450 4.835 4.128 5.206 . 0 0 "[ . 1 . 2]" 1
307 1 13 LYS H 1 13 LYS HG2 . . 3.910 2.586 2.004 3.322 . 0 0 "[ . 1 . 2]" 1
308 1 13 LYS H 1 13 LYS HG3 . . 4.170 2.999 2.387 3.420 . 0 0 "[ . 1 . 2]" 1
309 1 13 LYS H 1 21 SER H . . 4.670 4.265 3.494 4.737 0.067 2 0 "[ . 1 . 2]" 1
310 1 13 LYS H 1 21 SER HA . . 4.060 2.989 2.612 3.736 . 0 0 "[ . 1 . 2]" 1
311 1 13 LYS H 1 21 SER HB3 . . 4.860 2.313 1.574 3.472 . 0 0 "[ . 1 . 2]" 1
312 1 13 LYS H 1 22 PHE H . . 4.730 4.687 4.354 4.819 0.089 13 0 "[ . 1 . 2]" 1
313 1 13 LYS HA 1 13 LYS HD2 . . 5.500 4.490 3.757 5.380 . 0 0 "[ . 1 . 2]" 1
314 1 13 LYS HA 1 13 LYS HD3 . . 5.500 5.198 4.337 5.569 0.069 9 0 "[ . 1 . 2]" 1
315 1 13 LYS HA 1 14 VAL H . . 3.100 2.318 2.223 2.500 . 0 0 "[ . 1 . 2]" 1
316 1 13 LYS HA 1 19 GLU HB2 . . 4.320 3.714 2.511 4.351 0.031 13 0 "[ . 1 . 2]" 1
317 1 13 LYS HA 1 19 GLU HB3 . . 4.250 3.274 2.754 4.148 . 0 0 "[ . 1 . 2]" 1
318 1 13 LYS HB2 1 13 LYS HD3 . . 3.970 3.255 2.294 3.838 . 0 0 "[ . 1 . 2]" 1
319 1 13 LYS HB2 1 13 LYS QE . . 5.060 3.116 1.961 4.067 . 0 0 "[ . 1 . 2]" 1
320 1 13 LYS HB2 1 19 GLU H . . 5.280 4.310 3.951 4.819 . 0 0 "[ . 1 . 2]" 1
321 1 13 LYS HB2 1 19 GLU HA . . 4.410 4.465 4.090 4.918 0.508 17 1 "[ . 1 . + 2]" 1
322 1 13 LYS HB2 1 19 GLU HB3 . . 4.730 2.420 2.108 3.871 . 0 0 "[ . 1 . 2]" 1
323 1 13 LYS HB2 1 20 ILE HA . . 4.680 4.011 3.231 4.391 . 0 0 "[ . 1 . 2]" 1
324 1 13 LYS HB2 1 21 SER H . . 4.730 4.642 3.968 4.909 0.179 17 0 "[ . 1 . 2]" 1
325 1 13 LYS HB3 1 19 GLU HB3 . . 5.120 2.922 2.379 4.110 . 0 0 "[ . 1 . 2]" 1
326 1 13 LYS HD2 1 20 ILE HA . . 4.260 3.171 2.099 4.344 0.084 11 0 "[ . 1 . 2]" 1
327 1 13 LYS HD2 1 21 SER H . . 4.530 4.030 2.052 5.528 0.998 13 3 "[ .* - + . 2]" 1
328 1 13 LYS HD3 1 20 ILE HA . . 4.060 2.930 2.043 4.141 0.081 11 0 "[ . 1 . 2]" 1
329 1 13 LYS QE 1 14 VAL H . . 5.450 4.452 3.809 5.141 . 0 0 "[ . 1 . 2]" 1
330 1 13 LYS QE 1 15 PRO HA . . 3.910 2.567 1.812 3.854 . 0 0 "[ . 1 . 2]" 1
331 1 13 LYS QE 1 16 ASP H . . 4.470 3.768 3.283 4.352 . 0 0 "[ . 1 . 2]" 1
332 1 13 LYS QE 1 17 THR H . . 4.380 3.736 3.038 4.242 . 0 0 "[ . 1 . 2]" 1
333 1 13 LYS QE 1 19 GLU H . . 5.060 4.409 3.058 4.953 . 0 0 "[ . 1 . 2]" 1
334 1 13 LYS QE 1 21 SER H . . 5.500 4.668 3.408 5.203 . 0 0 "[ . 1 . 2]" 1
335 1 14 VAL H 1 14 VAL HB . . 3.450 2.637 2.320 3.529 0.079 18 0 "[ . 1 . 2]" 1
336 1 14 VAL H 1 14 VAL QG . . 3.420 2.138 1.766 2.550 . 0 0 "[ . 1 . 2]" 1
337 1 14 VAL H 1 15 PRO HD3 . . 5.500 4.954 4.752 5.151 . 0 0 "[ . 1 . 2]" 1
338 1 14 VAL H 1 19 GLU HB3 . . 5.030 3.738 3.351 4.767 . 0 0 "[ . 1 . 2]" 1
339 1 14 VAL HA 1 15 PRO HD2 . . 3.240 2.343 2.072 3.304 0.064 18 0 "[ . 1 . 2]" 1
340 1 14 VAL HA 1 15 PRO HD3 . . 3.090 2.427 2.278 2.587 . 0 0 "[ . 1 . 2]" 1
341 1 14 VAL HA 1 15 PRO HG3 . . 4.410 4.489 4.463 4.497 0.087 6 0 "[ . 1 . 2]" 1
342 1 14 VAL HB 1 15 PRO HD3 . . 5.500 4.723 2.667 5.259 . 0 0 "[ . 1 . 2]" 1
343 1 14 VAL HB 1 17 THR HB . . 5.140 4.431 3.569 5.243 0.103 20 0 "[ . 1 . 2]" 1
344 1 14 VAL HB 1 17 THR MG . . 3.390 2.785 2.108 3.524 0.134 2 0 "[ . 1 . 2]" 1
345 1 14 VAL QG 1 15 PRO HD2 . . 3.530 2.238 2.015 3.081 . 0 0 "[ . 1 . 2]" 1
346 1 14 VAL QG 1 15 PRO HD3 . . 3.940 3.363 3.131 3.657 . 0 0 "[ . 1 . 2]" 1
347 1 14 VAL QG 1 15 PRO HG3 . . 5.500 4.286 3.918 4.806 . 0 0 "[ . 1 . 2]" 1
348 1 14 VAL QG 1 16 ASP H . . 5.400 4.920 4.535 5.337 . 0 0 "[ . 1 . 2]" 1
349 1 14 VAL QG 1 17 THR H . . 5.210 4.322 3.819 4.786 . 0 0 "[ . 1 . 2]" 1
350 1 15 PRO HA 1 16 ASP H . . 2.850 2.297 2.183 2.471 . 0 0 "[ . 1 . 2]" 1
351 1 15 PRO HA 1 16 ASP QB . . 5.440 4.404 4.308 4.647 . 0 0 "[ . 1 . 2]" 1
352 1 15 PRO HA 1 17 THR H . . 3.970 3.529 3.066 4.037 0.067 17 0 "[ . 1 . 2]" 1
353 1 15 PRO HA 1 17 THR MG . . 5.340 4.649 3.866 5.420 0.080 7 0 "[ . 1 . 2]" 1
354 1 15 PRO HB2 1 16 ASP H . . 3.560 2.976 2.495 3.371 . 0 0 "[ . 1 . 2]" 1
355 1 15 PRO HB2 1 16 ASP QB . . 4.580 3.394 3.119 3.547 . 0 0 "[ . 1 . 2]" 1
356 1 15 PRO HB3 1 16 ASP H . . 3.960 3.668 3.326 3.881 . 0 0 "[ . 1 . 2]" 1
357 1 15 PRO HB3 1 16 ASP QB . . 5.150 4.856 4.584 5.041 . 0 0 "[ . 1 . 2]" 1
358 1 15 PRO HG2 1 16 ASP H . . 5.030 4.666 4.203 5.027 . 0 0 "[ . 1 . 2]" 1
359 1 16 ASP H 1 16 ASP HA . . 2.880 2.230 2.170 2.267 . 0 0 "[ . 1 . 2]" 1
360 1 16 ASP H 1 16 ASP QB . . 3.580 3.027 2.816 3.342 . 0 0 "[ . 1 . 2]" 1
361 1 16 ASP H 1 17 THR H . . 3.300 2.687 2.340 2.926 . 0 0 "[ . 1 . 2]" 1
362 1 16 ASP H 1 17 THR HA . . 5.390 5.290 5.010 5.471 0.081 17 0 "[ . 1 . 2]" 1
363 1 16 ASP H 1 17 THR MG . . 5.460 4.483 3.731 4.954 . 0 0 "[ . 1 . 2]" 1
364 1 16 ASP HA 1 17 THR H . . 3.310 2.966 2.569 3.386 0.076 7 0 "[ . 1 . 2]" 1
365 1 16 ASP QB 1 17 THR H . . 4.760 3.874 3.373 4.095 . 0 0 "[ . 1 . 2]" 1
366 1 16 ASP QB 1 17 THR MG . . 4.810 3.506 2.997 3.978 . 0 0 "[ . 1 . 2]" 1
367 1 17 THR H 1 17 THR MG . . 3.680 2.998 2.505 3.607 . 0 0 "[ . 1 . 2]" 1
368 1 17 THR H 1 18 ASP H . . 4.630 4.411 4.334 4.541 . 0 0 "[ . 1 . 2]" 1
369 1 17 THR H 1 19 GLU H . . 5.150 4.176 3.864 4.680 . 0 0 "[ . 1 . 2]" 1
370 1 17 THR HA 1 17 THR MG . . 2.970 2.409 2.275 2.553 . 0 0 "[ . 1 . 2]" 1
371 1 17 THR HA 1 18 ASP H . . 3.220 2.470 2.306 2.688 . 0 0 "[ . 1 . 2]" 1
372 1 17 THR HB 1 18 ASP H . . 2.990 2.288 2.014 2.529 . 0 0 "[ . 1 . 2]" 1
373 1 17 THR HB 1 18 ASP HA . . 4.880 4.795 4.597 4.907 0.027 14 0 "[ . 1 . 2]" 1
374 1 17 THR HB 1 18 ASP HB2 . . 4.410 4.383 4.132 4.484 0.074 5 0 "[ . 1 . 2]" 1
375 1 17 THR HB 1 19 GLU H . . 3.560 2.975 2.672 3.615 0.055 19 0 "[ . 1 . 2]" 1
376 1 17 THR HB 1 19 GLU QG . . 4.180 3.014 2.289 3.754 . 0 0 "[ . 1 . 2]" 1
377 1 17 THR HB 1 51 LEU QD . . 5.380 4.766 4.003 5.182 . 0 0 "[ . 1 . 2]" 1
378 1 17 THR MG 1 18 ASP H . . 4.130 3.642 3.204 3.837 . 0 0 "[ . 1 . 2]" 1
379 1 17 THR MG 1 19 GLU H . . 4.640 4.286 4.062 4.655 0.015 7 0 "[ . 1 . 2]" 1
380 1 17 THR MG 1 19 GLU QG . . 4.830 3.931 3.325 4.718 . 0 0 "[ . 1 . 2]" 1
381 1 18 ASP H 1 18 ASP HB2 . . 3.470 2.497 2.310 2.696 . 0 0 "[ . 1 . 2]" 1
382 1 18 ASP H 1 18 ASP HB3 . . 3.790 3.582 3.529 3.648 . 0 0 "[ . 1 . 2]" 1
383 1 18 ASP H 1 19 GLU H . . 3.560 2.743 2.141 3.211 . 0 0 "[ . 1 . 2]" 1
384 1 18 ASP H 1 19 GLU QG . . 4.480 3.778 2.995 4.511 0.031 9 0 "[ . 1 . 2]" 1
385 1 18 ASP H 1 51 LEU QD . . 4.160 3.933 3.478 4.199 0.039 20 0 "[ . 1 . 2]" 1
386 1 18 ASP HA 1 40 TRP HH2 . . 5.350 4.408 3.534 5.405 0.055 20 0 "[ . 1 . 2]" 1
387 1 18 ASP HB2 1 19 GLU HA . . 4.760 4.542 3.919 4.832 0.072 18 0 "[ . 1 . 2]" 1
388 1 18 ASP HB2 1 40 TRP HH2 . . 4.710 4.388 3.893 4.772 0.062 5 0 "[ . 1 . 2]" 1
389 1 18 ASP HB2 1 40 TRP HZ3 . . 4.270 3.365 2.730 4.213 . 0 0 "[ . 1 . 2]" 1
390 1 18 ASP HB2 1 51 LEU QD . . 3.640 2.338 2.109 2.856 . 0 0 "[ . 1 . 2]" 1
391 1 18 ASP HB2 1 51 LEU HG . . 5.020 3.413 2.724 4.393 . 0 0 "[ . 1 . 2]" 1
392 1 18 ASP HB3 1 19 GLU H . . 4.930 4.409 4.141 4.567 . 0 0 "[ . 1 . 2]" 1
393 1 18 ASP HB3 1 40 TRP HH2 . . 4.430 2.826 2.314 3.386 . 0 0 "[ . 1 . 2]" 1
394 1 18 ASP HB3 1 40 TRP HZ3 . . 3.920 2.670 2.191 3.789 . 0 0 "[ . 1 . 2]" 1
395 1 18 ASP HB3 1 51 LEU QD . . 3.930 3.178 2.387 3.792 . 0 0 "[ . 1 . 2]" 1
396 1 18 ASP HB3 1 51 LEU HG . . 4.680 3.716 2.506 4.725 0.045 8 0 "[ . 1 . 2]" 1
397 1 19 GLU H 1 19 GLU HB2 . . 3.620 2.359 2.169 3.027 . 0 0 "[ . 1 . 2]" 1
398 1 19 GLU H 1 19 GLU HB3 . . 3.830 3.543 3.483 3.674 . 0 0 "[ . 1 . 2]" 1
399 1 19 GLU H 1 19 GLU QG . . 3.370 2.570 2.185 3.250 . 0 0 "[ . 1 . 2]" 1
400 1 19 GLU H 1 20 ILE H . . 5.130 4.606 4.447 4.689 . 0 0 "[ . 1 . 2]" 1
401 1 19 GLU H 1 51 LEU H . . 4.700 4.362 4.019 4.769 0.069 20 0 "[ . 1 . 2]" 1
402 1 19 GLU H 1 51 LEU HB2 . . 5.500 4.211 3.418 4.883 . 0 0 "[ . 1 . 2]" 1
403 1 19 GLU H 1 51 LEU QD . . 5.090 4.255 3.620 4.908 . 0 0 "[ . 1 . 2]" 1
404 1 19 GLU HA 1 19 GLU QG . . 3.700 2.530 2.298 3.427 . 0 0 "[ . 1 . 2]" 1
405 1 19 GLU HA 1 20 ILE H . . 3.420 2.440 2.277 2.667 . 0 0 "[ . 1 . 2]" 1
406 1 19 GLU HA 1 20 ILE HG12 . . 4.610 3.652 3.181 4.688 0.078 2 0 "[ . 1 . 2]" 1
407 1 19 GLU HA 1 20 ILE HG13 . . 4.450 4.487 3.276 4.675 0.225 9 0 "[ . 1 . 2]" 1
408 1 19 GLU HA 1 20 ILE MG . . 4.120 3.840 3.539 4.083 . 0 0 "[ . 1 . 2]" 1
409 1 19 GLU HA 1 51 LEU H . . 3.750 2.234 1.965 2.661 . 0 0 "[ . 1 . 2]" 1
410 1 19 GLU HA 1 51 LEU HB2 . . 3.840 2.354 2.074 2.715 . 0 0 "[ . 1 . 2]" 1
411 1 19 GLU HA 1 51 LEU HB3 . . 4.220 3.870 3.304 4.292 0.072 19 0 "[ . 1 . 2]" 1
412 1 19 GLU HA 1 51 LEU QD . . 4.350 3.732 3.378 4.013 . 0 0 "[ . 1 . 2]" 1
413 1 19 GLU HB3 1 20 ILE H . . 4.140 2.403 2.203 2.631 . 0 0 "[ . 1 . 2]" 1
414 1 19 GLU HB3 1 51 LEU H . . 5.460 4.647 3.861 5.140 . 0 0 "[ . 1 . 2]" 1
415 1 19 GLU HB3 1 51 LEU HB2 . . 5.360 4.171 3.396 4.559 . 0 0 "[ . 1 . 2]" 1
416 1 19 GLU QG 1 20 ILE H . . 5.010 3.797 3.497 4.385 . 0 0 "[ . 1 . 2]" 1
417 1 19 GLU QG 1 38 TRP HH2 . . 4.440 3.518 2.461 4.551 0.111 10 0 "[ . 1 . 2]" 1
418 1 19 GLU QG 1 38 TRP HZ3 . . 4.340 3.243 2.663 4.314 . 0 0 "[ . 1 . 2]" 1
419 1 19 GLU QG 1 51 LEU H . . 5.190 4.056 3.315 5.031 . 0 0 "[ . 1 . 2]" 1
420 1 19 GLU QG 1 51 LEU HB2 . . 4.550 2.699 2.097 3.892 . 0 0 "[ . 1 . 2]" 1
421 1 19 GLU QG 1 51 LEU HB3 . . 5.090 3.461 2.367 4.396 . 0 0 "[ . 1 . 2]" 1
422 1 19 GLU QG 1 51 LEU QD . . 4.750 3.327 2.729 4.152 . 0 0 "[ . 1 . 2]" 1
423 1 20 ILE H 1 20 ILE MD . . 4.730 3.977 3.122 4.142 . 0 0 "[ . 1 . 2]" 1
424 1 20 ILE H 1 20 ILE HG12 . . 4.020 2.660 2.330 3.785 . 0 0 "[ . 1 . 2]" 1
425 1 20 ILE H 1 20 ILE HG13 . . 3.930 2.643 2.220 2.977 . 0 0 "[ . 1 . 2]" 1
426 1 20 ILE H 1 20 ILE MG . . 3.950 3.310 3.159 3.501 . 0 0 "[ . 1 . 2]" 1
427 1 20 ILE H 1 21 SER H . . 5.000 4.342 4.171 4.429 . 0 0 "[ . 1 . 2]" 1
428 1 20 ILE H 1 51 LEU H . . 4.430 3.756 3.248 4.469 0.039 20 0 "[ . 1 . 2]" 1
429 1 20 ILE HA 1 20 ILE HG13 . . 3.860 3.766 3.693 3.855 . 0 0 "[ . 1 . 2]" 1
430 1 20 ILE HA 1 20 ILE MG . . 3.210 2.227 2.172 2.342 . 0 0 "[ . 1 . 2]" 1
431 1 20 ILE HA 1 21 SER H . . 3.020 2.289 2.148 2.515 . 0 0 "[ . 1 . 2]" 1
432 1 20 ILE HB 1 20 ILE MD . . 3.680 2.349 2.225 2.560 . 0 0 "[ . 1 . 2]" 1
433 1 20 ILE HB 1 21 SER H . . 3.390 3.101 2.626 3.455 0.065 19 0 "[ . 1 . 2]" 1
434 1 20 ILE MD 1 28 PHE QE . . 3.620 3.033 2.246 3.719 0.099 20 0 "[ . 1 . 2]" 1
435 1 20 ILE MD 1 42 THR HA . . 5.500 3.600 3.191 4.558 . 0 0 "[ . 1 . 2]" 1
436 1 20 ILE MD 1 43 ASN H . . 4.430 3.133 2.724 3.701 . 0 0 "[ . 1 . 2]" 1
437 1 20 ILE MD 1 43 ASN HA . . 5.010 3.985 3.469 4.860 . 0 0 "[ . 1 . 2]" 1
438 1 20 ILE MD 1 43 ASN HB2 . . 3.840 2.205 1.990 3.067 . 0 0 "[ . 1 . 2]" 1
439 1 20 ILE MD 1 43 ASN HB3 . . 4.020 3.204 2.630 3.754 . 0 0 "[ . 1 . 2]" 1
440 1 20 ILE MD 1 43 ASN HD21 . . 5.240 3.685 2.649 5.210 . 0 0 "[ . 1 . 2]" 1
441 1 20 ILE MD 1 43 ASN HD22 . . 5.500 4.725 4.014 5.545 0.045 20 0 "[ . 1 . 2]" 1
442 1 20 ILE MD 1 48 GLU H . . 5.500 4.914 4.383 5.526 0.026 2 0 "[ . 1 . 2]" 1
443 1 20 ILE MD 1 49 GLN HA . . 4.350 3.157 2.528 4.402 0.052 2 0 "[ . 1 . 2]" 1
444 1 20 ILE MD 1 50 GLY H . . 4.320 3.310 2.593 4.148 . 0 0 "[ . 1 . 2]" 1
445 1 20 ILE MD 1 50 GLY HA3 . . 4.910 3.446 2.364 4.364 . 0 0 "[ . 1 . 2]" 1
446 1 20 ILE HG12 1 28 PHE QE . . 5.500 5.413 4.591 6.252 0.752 9 2 "[ . -+1 . 2]" 1
447 1 20 ILE HG13 1 51 LEU H . . 5.500 4.623 3.626 5.161 . 0 0 "[ . 1 . 2]" 1
448 1 20 ILE MG 1 21 SER H . . 3.880 3.738 3.496 3.907 0.027 2 0 "[ . 1 . 2]" 1
449 1 20 ILE MG 1 48 GLU HA . . 4.770 3.897 3.247 4.494 . 0 0 "[ . 1 . 2]" 1
450 1 20 ILE MG 1 48 GLU HB2 . . 4.240 3.537 2.538 4.200 . 0 0 "[ . 1 . 2]" 1
451 1 20 ILE MG 1 48 GLU HB3 . . 3.250 2.423 2.052 4.195 0.945 7 2 "[ . + -1 . 2]" 1
452 1 20 ILE MG 1 48 GLU QG . . 4.920 3.369 2.719 4.144 . 0 0 "[ . 1 . 2]" 1
453 1 20 ILE MG 1 49 GLN H . . 4.550 3.439 2.690 4.493 . 0 0 "[ . 1 . 2]" 1
454 1 20 ILE MG 1 49 GLN HA . . 4.640 3.804 3.149 4.697 0.057 11 0 "[ . 1 . 2]" 1
455 1 20 ILE MG 1 50 GLY HA2 . . 4.220 3.794 3.542 4.292 0.072 11 0 "[ . 1 . 2]" 1
456 1 20 ILE MG 1 50 GLY HA3 . . 3.330 2.294 2.072 2.746 . 0 0 "[ . 1 . 2]" 1
457 1 20 ILE MG 1 51 LEU H . . 3.810 3.698 3.355 3.889 0.079 16 0 "[ . 1 . 2]" 1
458 1 21 SER H 1 21 SER HB2 . . 3.700 3.367 2.446 3.767 0.067 18 0 "[ . 1 . 2]" 1
459 1 21 SER H 1 21 SER HB3 . . 3.410 3.175 2.831 3.593 0.183 5 0 "[ . 1 . 2]" 1
460 1 21 SER HA 1 22 PHE H . . 3.170 2.357 2.220 2.507 . 0 0 "[ . 1 . 2]" 1
461 1 21 SER HB2 1 22 PHE H . . 3.450 3.026 2.146 3.810 0.360 7 0 "[ . 1 . 2]" 1
462 1 21 SER HB3 1 22 PHE H . . 3.970 3.583 2.560 4.028 0.058 16 0 "[ . 1 . 2]" 1
463 1 22 PHE H 1 23 LEU H . . 4.600 4.390 4.220 4.550 . 0 0 "[ . 1 . 2]" 1
464 1 22 PHE H 1 23 LEU QD . . 5.480 4.337 3.482 5.216 . 0 0 "[ . 1 . 2]" 1
465 1 22 PHE HA 1 23 LEU H . . 3.540 2.447 2.231 2.799 . 0 0 "[ . 1 . 2]" 1
466 1 22 PHE HA 1 23 LEU QD . . 3.820 3.209 2.397 3.805 . 0 0 "[ . 1 . 2]" 1
467 1 22 PHE HA 1 43 ASN HD21 . . 5.400 4.169 3.230 5.469 0.069 16 0 "[ . 1 . 2]" 1
468 1 22 PHE HA 1 43 ASN HD22 . . 5.210 3.742 2.691 5.264 0.054 16 0 "[ . 1 . 2]" 1
469 1 22 PHE QB 1 23 LEU H . . 3.740 2.299 2.005 2.564 . 0 0 "[ . 1 . 2]" 1
470 1 22 PHE QB 1 26 ASP H . . 5.080 4.567 3.994 4.980 . 0 0 "[ . 1 . 2]" 1
471 1 22 PHE QB 1 26 ASP HB2 . . 4.780 2.798 2.196 3.500 . 0 0 "[ . 1 . 2]" 1
472 1 22 PHE QB 1 26 ASP HB3 . . 4.770 3.302 2.646 3.690 . 0 0 "[ . 1 . 2]" 1
473 1 22 PHE QB 1 28 PHE QE . . 4.410 2.832 2.247 3.715 . 0 0 "[ . 1 . 2]" 1
474 1 22 PHE QB 1 28 PHE HZ . . 4.760 2.524 2.106 3.550 . 0 0 "[ . 1 . 2]" 1
475 1 22 PHE QB 1 43 ASN HD21 . . 4.650 3.144 2.243 4.047 . 0 0 "[ . 1 . 2]" 1
476 1 22 PHE QB 1 43 ASN HD22 . . 4.470 2.894 1.574 3.895 . 0 0 "[ . 1 . 2]" 1
477 1 22 PHE QD 1 23 LEU H . . 5.400 3.293 2.181 3.770 . 0 0 "[ . 1 . 2]" 1
478 1 22 PHE QD 1 26 ASP HB2 . . 4.760 3.826 2.199 4.830 0.070 16 0 "[ . 1 . 2]" 1
479 1 22 PHE QD 1 26 ASP HB3 . . 5.120 4.705 2.854 5.197 0.077 8 0 "[ . 1 . 2]" 1
480 1 22 PHE QD 1 28 PHE QE . . 3.490 3.198 2.409 3.582 0.092 18 0 "[ . 1 . 2]" 1
481 1 23 LEU H 1 23 LEU HB2 . . 3.530 2.461 2.321 2.622 . 0 0 "[ . 1 . 2]" 1
482 1 23 LEU H 1 23 LEU QD . . 4.360 2.856 2.191 3.459 . 0 0 "[ . 1 . 2]" 1
483 1 23 LEU H 1 23 LEU HG . . 4.230 3.762 2.268 4.308 0.078 19 0 "[ . 1 . 2]" 1
484 1 23 LEU H 1 26 ASP HB2 . . 4.560 3.112 2.639 4.166 . 0 0 "[ . 1 . 2]" 1
485 1 23 LEU H 1 26 ASP HB3 . . 4.970 4.165 3.151 5.039 0.069 19 0 "[ . 1 . 2]" 1
486 1 23 LEU H 1 43 ASN HD21 . . 5.450 5.273 4.470 5.536 0.086 18 0 "[ . 1 . 2]" 1
487 1 23 LEU H 1 43 ASN HD22 . . 5.170 4.252 3.375 5.220 0.050 16 0 "[ . 1 . 2]" 1
488 1 23 LEU H 1 45 ARG HE . . 5.320 4.800 3.650 5.394 0.074 12 0 "[ . 1 . 2]" 1
489 1 23 LEU HA 1 23 LEU QD . . 3.060 2.276 2.063 2.706 . 0 0 "[ . 1 . 2]" 1
490 1 23 LEU HA 1 23 LEU HG . . 4.200 3.241 2.401 3.788 . 0 0 "[ . 1 . 2]" 1
491 1 23 LEU HA 1 24 LYS H . . 3.240 2.460 2.348 2.616 . 0 0 "[ . 1 . 2]" 1
492 1 23 LEU HB2 1 24 LYS H . . 4.120 3.679 3.191 3.916 . 0 0 "[ . 1 . 2]" 1
493 1 23 LEU HB3 1 24 LYS H . . 3.550 2.443 1.988 2.811 . 0 0 "[ . 1 . 2]" 1
494 1 23 LEU QD 1 24 LYS H . . 3.840 3.250 2.844 3.587 . 0 0 "[ . 1 . 2]" 1
495 1 23 LEU QD 1 45 ARG HD2 . . 4.930 4.181 2.755 5.098 0.168 9 0 "[ . 1 . 2]" 1
496 1 23 LEU QD 1 45 ARG HD3 . . 5.100 4.103 2.635 5.115 0.015 15 0 "[ . 1 . 2]" 1
497 1 23 LEU QD 1 45 ARG HE . . 4.340 3.826 2.478 4.359 0.019 18 0 "[ . 1 . 2]" 1
498 1 24 LYS H 1 24 LYS HB2 . . 3.460 2.568 2.256 2.753 . 0 0 "[ . 1 . 2]" 1
499 1 24 LYS H 1 24 LYS HB3 . . 3.270 2.424 2.285 2.779 . 0 0 "[ . 1 . 2]" 1
500 1 24 LYS H 1 24 LYS HD2 . . 5.380 4.849 4.595 5.127 . 0 0 "[ . 1 . 2]" 1
501 1 24 LYS H 1 24 LYS HD3 . . 5.200 5.004 4.709 5.249 0.049 11 0 "[ . 1 . 2]" 1
502 1 24 LYS H 1 24 LYS HG2 . . 4.820 4.431 4.333 4.599 . 0 0 "[ . 1 . 2]" 1
503 1 24 LYS H 1 24 LYS HG3 . . 5.030 4.471 4.212 4.519 . 0 0 "[ . 1 . 2]" 1
504 1 24 LYS H 1 25 GLY H . . 4.850 4.599 4.458 4.710 . 0 0 "[ . 1 . 2]" 1
505 1 24 LYS HA 1 24 LYS QE . . 5.500 4.645 4.178 4.999 . 0 0 "[ . 1 . 2]" 1
506 1 24 LYS HA 1 24 LYS HG2 . . 4.110 3.294 3.068 3.404 . 0 0 "[ . 1 . 2]" 1
507 1 24 LYS HA 1 24 LYS HG3 . . 4.070 2.534 2.209 2.616 . 0 0 "[ . 1 . 2]" 1
508 1 24 LYS HA 1 25 GLY H . . 2.920 2.248 2.158 2.376 . 0 0 "[ . 1 . 2]" 1
509 1 24 LYS HA 1 26 ASP H . . 4.240 3.626 3.445 4.101 . 0 0 "[ . 1 . 2]" 1
510 1 24 LYS HB2 1 24 LYS HD2 . . 4.140 2.376 2.289 2.527 . 0 0 "[ . 1 . 2]" 1
511 1 24 LYS HB2 1 25 GLY H . . 4.930 4.288 4.014 4.579 . 0 0 "[ . 1 . 2]" 1
512 1 24 LYS HB3 1 25 GLY H . . 4.540 4.240 3.920 4.433 . 0 0 "[ . 1 . 2]" 1
513 1 24 LYS QE 1 24 LYS HG2 . . 3.610 2.832 2.304 3.206 . 0 0 "[ . 1 . 2]" 1
514 1 24 LYS QE 1 24 LYS HG3 . . 3.530 2.383 2.264 2.680 . 0 0 "[ . 1 . 2]" 1
515 1 24 LYS QE 1 25 GLY H . . 5.500 4.840 4.208 5.475 . 0 0 "[ . 1 . 2]" 1
516 1 24 LYS HG2 1 25 GLY H . . 4.210 3.281 2.618 3.691 . 0 0 "[ . 1 . 2]" 1
517 1 24 LYS HG3 1 25 GLY H . . 4.080 3.001 2.408 3.567 . 0 0 "[ . 1 . 2]" 1
518 1 25 GLY H 1 26 ASP H . . 3.500 2.553 2.171 2.839 . 0 0 "[ . 1 . 2]" 1
519 1 26 ASP H 1 26 ASP HB2 . . 3.320 2.380 2.071 3.607 0.287 18 0 "[ . 1 . 2]" 1
520 1 26 ASP H 1 26 ASP HB3 . . 3.880 3.423 2.442 3.609 . 0 0 "[ . 1 . 2]" 1
521 1 26 ASP H 1 27 MET H . . 4.720 4.601 4.352 4.721 0.001 5 0 "[ . 1 . 2]" 1
522 1 26 ASP H 1 28 PHE QE . . 5.360 5.215 4.449 5.453 0.093 17 0 "[ . 1 . 2]" 1
523 1 26 ASP HA 1 27 MET H . . 2.840 2.487 2.295 2.887 0.047 18 0 "[ . 1 . 2]" 1
524 1 26 ASP HA 1 27 MET HA . . 4.970 4.508 4.385 4.578 . 0 0 "[ . 1 . 2]" 1
525 1 26 ASP HA 1 27 MET HB2 . . 4.730 4.202 3.764 5.499 0.769 9 2 "[ . +1 . -2]" 1
526 1 26 ASP HA 1 27 MET HB3 . . 5.410 4.937 4.080 5.490 0.080 17 0 "[ . 1 . 2]" 1
527 1 26 ASP HB2 1 27 MET H . . 4.450 3.845 2.532 4.144 . 0 0 "[ . 1 . 2]" 1
528 1 26 ASP HB2 1 28 PHE QE . . 5.140 4.155 3.364 5.212 0.072 15 0 "[ . 1 . 2]" 1
529 1 26 ASP HB2 1 43 ASN HD22 . . 5.500 3.888 3.184 5.165 . 0 0 "[ . 1 . 2]" 1
530 1 26 ASP HB3 1 27 MET H . . 4.190 2.668 2.180 3.725 . 0 0 "[ . 1 . 2]" 1
531 1 26 ASP HB3 1 28 PHE QE . . 4.990 3.776 2.817 5.171 0.181 18 0 "[ . 1 . 2]" 1
532 1 26 ASP HB3 1 43 ASN HD21 . . 5.030 4.255 2.710 5.664 0.634 18 1 "[ . 1 . + 2]" 1
533 1 26 ASP HB3 1 43 ASN HD22 . . 4.850 3.185 2.221 5.429 0.579 18 1 "[ . 1 . + 2]" 1
534 1 27 MET H 1 27 MET HB2 . . 3.250 2.936 2.472 3.739 0.489 19 0 "[ . 1 . 2]" 1
535 1 27 MET H 1 27 MET HB3 . . 3.640 3.143 2.589 3.642 0.002 15 0 "[ . 1 . 2]" 1
536 1 27 MET H 1 27 MET HG3 . . 4.370 4.208 3.108 4.628 0.258 10 0 "[ . 1 . 2]" 1
537 1 27 MET H 1 28 PHE H . . 4.630 4.322 4.097 4.543 . 0 0 "[ . 1 . 2]" 1
538 1 27 MET HA 1 27 MET ME . . 4.110 4.074 3.196 4.221 0.111 19 0 "[ . 1 . 2]" 1
539 1 27 MET HA 1 27 MET HG2 . . 3.990 2.708 2.034 3.867 . 0 0 "[ . 1 . 2]" 1
540 1 27 MET HA 1 27 MET HG3 . . 3.960 2.618 2.114 3.696 . 0 0 "[ . 1 . 2]" 1
541 1 27 MET HA 1 28 PHE H . . 3.030 2.235 2.072 2.418 . 0 0 "[ . 1 . 2]" 1
542 1 27 MET HA 1 28 PHE HB2 . . 5.160 4.567 4.308 5.040 . 0 0 "[ . 1 . 2]" 1
543 1 27 MET HA 1 28 PHE QD . . 3.990 3.574 2.936 4.055 0.065 5 0 "[ . 1 . 2]" 1
544 1 27 MET HB2 1 28 PHE H . . 4.090 3.946 2.256 4.179 0.089 3 0 "[ . 1 . 2]" 1
545 1 27 MET HB3 1 28 PHE H . . 3.940 3.421 2.491 4.135 0.195 19 0 "[ . 1 . 2]" 1
546 1 27 MET ME 1 28 PHE H . . 4.230 3.615 2.189 4.248 0.018 18 0 "[ . 1 . 2]" 1
547 1 27 MET ME 1 60 VAL QG . . 3.730 2.235 1.862 3.093 . 0 0 "[ . 1 . 2]" 1
548 1 27 MET HG2 1 28 PHE H . . 4.220 2.902 2.035 4.437 0.217 9 0 "[ . 1 . 2]" 1
549 1 27 MET HG2 1 28 PHE QD . . 5.500 5.144 4.272 6.188 0.688 9 1 "[ . +1 . 2]" 1
550 1 27 MET HG2 1 60 VAL QG . . 5.500 3.733 2.352 5.373 . 0 0 "[ . 1 . 2]" 1
551 1 27 MET HG3 1 28 PHE H . . 4.350 3.477 2.342 4.437 0.087 13 0 "[ . 1 . 2]" 1
552 1 28 PHE H 1 28 PHE HB2 . . 3.880 2.818 2.574 3.177 . 0 0 "[ . 1 . 2]" 1
553 1 28 PHE H 1 28 PHE QD . . 3.570 3.037 2.515 3.620 0.050 9 0 "[ . 1 . 2]" 1
554 1 28 PHE HA 1 28 PHE QD . . 4.030 2.864 2.468 3.419 . 0 0 "[ . 1 . 2]" 1
555 1 28 PHE HA 1 29 ILE H . . 3.130 2.386 2.244 2.660 . 0 0 "[ . 1 . 2]" 1
556 1 28 PHE HA 1 29 ILE MG . . 5.070 3.328 2.899 3.610 . 0 0 "[ . 1 . 2]" 1
557 1 28 PHE HA 1 41 VAL HB . . 4.670 3.825 3.390 4.115 . 0 0 "[ . 1 . 2]" 1
558 1 28 PHE HA 1 41 VAL MG2 . . 5.080 4.088 3.479 4.453 . 0 0 "[ . 1 . 2]" 1
559 1 28 PHE HA 1 42 THR H . . 4.520 3.962 3.713 4.277 . 0 0 "[ . 1 . 2]" 1
560 1 28 PHE HA 1 42 THR HB . . 5.470 4.991 4.624 5.301 . 0 0 "[ . 1 . 2]" 1
561 1 28 PHE HA 1 43 ASN HA . . 3.860 2.978 2.435 3.647 . 0 0 "[ . 1 . 2]" 1
562 1 28 PHE HA 1 44 LEU H . . 3.870 3.295 2.601 3.724 . 0 0 "[ . 1 . 2]" 1
563 1 28 PHE HA 1 44 LEU MD2 . . 4.450 4.062 3.595 4.531 0.081 3 0 "[ . 1 . 2]" 1
564 1 28 PHE HA 1 44 LEU HG . . 3.730 3.274 2.276 3.801 0.071 3 0 "[ . 1 . 2]" 1
565 1 28 PHE HB2 1 29 ILE H . . 4.380 3.389 2.744 3.829 . 0 0 "[ . 1 . 2]" 1
566 1 28 PHE HB2 1 41 VAL HB . . 4.430 3.555 2.889 4.206 . 0 0 "[ . 1 . 2]" 1
567 1 28 PHE HB2 1 41 VAL MG2 . . 4.560 3.618 2.733 4.295 . 0 0 "[ . 1 . 2]" 1
568 1 28 PHE HB2 1 52 ILE MD . . 5.280 3.751 2.841 4.373 . 0 0 "[ . 1 . 2]" 1
569 1 28 PHE HB3 1 29 ILE H . . 3.960 2.490 2.110 2.898 . 0 0 "[ . 1 . 2]" 1
570 1 28 PHE HB3 1 41 VAL HA . . 4.860 4.546 4.410 4.785 . 0 0 "[ . 1 . 2]" 1
571 1 28 PHE HB3 1 41 VAL HB . . 3.890 2.200 2.068 2.475 . 0 0 "[ . 1 . 2]" 1
572 1 28 PHE HB3 1 41 VAL MG1 . . 4.290 2.671 2.194 3.118 . 0 0 "[ . 1 . 2]" 1
573 1 28 PHE HB3 1 41 VAL MG2 . . 4.290 2.513 2.044 3.117 . 0 0 "[ . 1 . 2]" 1
574 1 28 PHE HB3 1 42 THR H . . 4.600 3.515 2.831 4.183 . 0 0 "[ . 1 . 2]" 1
575 1 28 PHE HB3 1 52 ILE MD . . 5.500 4.160 3.056 5.001 . 0 0 "[ . 1 . 2]" 1
576 1 28 PHE HB3 1 52 ILE MG . . 4.220 4.190 3.628 4.326 0.106 4 0 "[ . 1 . 2]" 1
577 1 28 PHE QD 1 29 ILE H . . 4.670 4.020 3.429 4.381 . 0 0 "[ . 1 . 2]" 1
578 1 28 PHE QD 1 29 ILE MG . . 5.290 5.259 4.929 5.405 0.115 7 0 "[ . 1 . 2]" 1
579 1 28 PHE QD 1 41 VAL HB . . 4.110 3.561 2.711 4.171 0.061 19 0 "[ . 1 . 2]" 1
580 1 28 PHE QD 1 41 VAL MG1 . . 4.320 3.778 3.590 3.993 . 0 0 "[ . 1 . 2]" 1
581 1 28 PHE QD 1 41 VAL MG2 . . 3.490 2.479 2.066 3.185 . 0 0 "[ . 1 . 2]" 1
582 1 28 PHE QD 1 43 ASN H . . 4.680 4.071 3.592 4.494 . 0 0 "[ . 1 . 2]" 1
583 1 28 PHE QD 1 43 ASN HA . . 3.460 2.427 2.132 2.900 . 0 0 "[ . 1 . 2]" 1
584 1 28 PHE QD 1 44 LEU H . . 4.560 4.187 3.757 4.523 . 0 0 "[ . 1 . 2]" 1
585 1 28 PHE QD 1 52 ILE MD . . 4.050 3.303 2.430 4.156 0.106 12 0 "[ . 1 . 2]" 1
586 1 28 PHE QD 1 52 ILE MG . . 3.260 3.258 2.929 3.368 0.108 18 0 "[ . 1 . 2]" 1
587 1 28 PHE QD 1 57 VAL MG1 . . 5.420 2.811 2.145 4.104 . 0 0 "[ . 1 . 2]" 1
588 1 28 PHE QE 1 43 ASN H . . 5.500 5.124 4.095 5.577 0.077 14 0 "[ . 1 . 2]" 1
589 1 28 PHE QE 1 43 ASN HA . . 4.660 3.657 3.037 4.340 . 0 0 "[ . 1 . 2]" 1
590 1 28 PHE QE 1 43 ASN HB2 . . 4.180 2.938 2.216 4.263 0.083 18 0 "[ . 1 . 2]" 1
591 1 28 PHE QE 1 43 ASN HB3 . . 4.990 4.392 3.904 5.050 0.060 14 0 "[ . 1 . 2]" 1
592 1 28 PHE QE 1 43 ASN HD22 . . 5.500 3.686 2.764 4.771 . 0 0 "[ . 1 . 2]" 1
593 1 28 PHE QE 1 52 ILE MD . . 4.650 3.498 2.723 4.500 . 0 0 "[ . 1 . 2]" 1
594 1 28 PHE QE 1 52 ILE MG . . 3.800 2.766 2.250 3.230 . 0 0 "[ . 1 . 2]" 1
595 1 28 PHE QE 1 57 VAL HA . . 5.260 4.821 4.211 5.307 0.047 13 0 "[ . 1 . 2]" 1
596 1 28 PHE QE 1 57 VAL MG1 . . 3.740 2.496 2.086 3.532 . 0 0 "[ . 1 . 2]" 1
597 1 28 PHE HZ 1 52 ILE HB . . 4.700 4.520 3.806 4.777 0.077 10 0 "[ . 1 . 2]" 1
598 1 28 PHE HZ 1 52 ILE MD . . 5.170 4.462 3.422 5.241 0.071 19 0 "[ . 1 . 2]" 1
599 1 28 PHE HZ 1 52 ILE MG . . 4.630 3.328 2.645 3.702 . 0 0 "[ . 1 . 2]" 1
600 1 29 ILE H 1 29 ILE HB . . 3.850 3.789 3.674 3.918 0.068 13 0 "[ . 1 . 2]" 1
601 1 29 ILE H 1 29 ILE MD . . 5.130 3.890 3.597 4.118 . 0 0 "[ . 1 . 2]" 1
602 1 29 ILE H 1 29 ILE HG12 . . 3.430 2.316 2.134 2.575 . 0 0 "[ . 1 . 2]" 1
603 1 29 ILE H 1 29 ILE HG13 . . 4.280 3.312 2.839 3.556 . 0 0 "[ . 1 . 2]" 1
604 1 29 ILE H 1 29 ILE MG . . 4.540 2.724 2.346 3.121 . 0 0 "[ . 1 . 2]" 1
605 1 29 ILE H 1 41 VAL HA . . 4.690 3.996 3.762 4.288 . 0 0 "[ . 1 . 2]" 1
606 1 29 ILE H 1 41 VAL HB . . 5.040 2.535 2.230 2.986 . 0 0 "[ . 1 . 2]" 1
607 1 29 ILE H 1 42 THR HB . . 4.730 4.030 3.775 4.440 . 0 0 "[ . 1 . 2]" 1
608 1 29 ILE H 1 43 ASN HA . . 4.850 4.574 4.044 4.921 0.071 10 0 "[ . 1 . 2]" 1
609 1 29 ILE H 1 44 LEU MD2 . . 4.250 4.298 4.069 4.345 0.095 16 0 "[ . 1 . 2]" 1
610 1 29 ILE HA 1 29 ILE MD . . 4.120 4.179 4.117 4.214 0.094 4 0 "[ . 1 . 2]" 1
611 1 29 ILE HA 1 29 ILE HG12 . . 3.970 3.817 3.751 3.899 . 0 0 "[ . 1 . 2]" 1
612 1 29 ILE HA 1 29 ILE HG13 . . 4.070 3.755 3.671 3.865 . 0 0 "[ . 1 . 2]" 1
613 1 29 ILE HA 1 29 ILE MG . . 3.450 2.358 2.143 2.498 . 0 0 "[ . 1 . 2]" 1
614 1 29 ILE HA 1 30 VAL H . . 2.940 2.271 2.152 2.399 . 0 0 "[ . 1 . 2]" 1
615 1 29 ILE HA 1 30 VAL QG . . 4.200 3.749 3.599 3.916 . 0 0 "[ . 1 . 2]" 1
616 1 29 ILE HB 1 30 VAL H . . 4.400 3.298 2.947 3.585 . 0 0 "[ . 1 . 2]" 1
617 1 29 ILE MD 1 30 VAL H . . 5.100 4.996 4.651 5.194 0.094 18 0 "[ . 1 . 2]" 1
618 1 29 ILE MD 1 41 VAL HA . . 4.750 4.821 4.657 4.860 0.110 6 0 "[ . 1 . 2]" 1
619 1 29 ILE MD 1 42 THR HB . . 4.520 2.361 2.116 2.844 . 0 0 "[ . 1 . 2]" 1
620 1 29 ILE HG12 1 41 VAL HA . . 5.250 4.062 3.694 4.600 . 0 0 "[ . 1 . 2]" 1
621 1 29 ILE HG12 1 42 THR H . . 4.290 2.296 1.979 2.586 . 0 0 "[ . 1 . 2]" 1
622 1 29 ILE HG12 1 42 THR HB . . 3.640 2.353 2.161 2.568 . 0 0 "[ . 1 . 2]" 1
623 1 29 ILE HG13 1 29 ILE MG . . 3.530 3.236 3.218 3.250 . 0 0 "[ . 1 . 2]" 1
624 1 29 ILE HG13 1 30 VAL H . . 4.860 4.203 3.860 4.647 . 0 0 "[ . 1 . 2]" 1
625 1 29 ILE HG13 1 31 HIS HA . . 5.160 4.569 4.063 5.228 0.068 19 0 "[ . 1 . 2]" 1
626 1 29 ILE HG13 1 42 THR H . . 4.590 3.114 2.691 3.473 . 0 0 "[ . 1 . 2]" 1
627 1 29 ILE HG13 1 42 THR HB . . 4.680 3.532 2.994 3.971 . 0 0 "[ . 1 . 2]" 1
628 1 29 ILE MG 1 42 THR H . . 5.350 4.062 3.547 4.340 . 0 0 "[ . 1 . 2]" 1
629 1 29 ILE MG 1 42 THR HB . . 3.980 3.651 2.995 4.064 0.084 14 0 "[ . 1 . 2]" 1
630 1 30 VAL H 1 30 VAL HB . . 3.200 2.596 2.210 2.951 . 0 0 "[ . 1 . 2]" 1
631 1 30 VAL H 1 30 VAL QG . . 3.280 2.210 1.896 2.574 . 0 0 "[ . 1 . 2]" 1
632 1 30 VAL H 1 31 HIS H . . 4.980 4.526 4.343 4.637 . 0 0 "[ . 1 . 2]" 1
633 1 30 VAL H 1 41 VAL HA . . 5.360 5.295 5.042 5.419 0.059 14 0 "[ . 1 . 2]" 1
634 1 30 VAL H 1 41 VAL MG1 . . 5.280 4.291 4.003 4.465 . 0 0 "[ . 1 . 2]" 1
635 1 30 VAL HA 1 31 HIS H . . 3.170 2.200 2.138 2.276 . 0 0 "[ . 1 . 2]" 1
636 1 30 VAL HA 1 31 HIS HA . . 5.200 4.458 4.411 4.491 . 0 0 "[ . 1 . 2]" 1
637 1 30 VAL HA 1 32 ASN H . . 4.070 3.775 3.514 4.011 . 0 0 "[ . 1 . 2]" 1
638 1 30 VAL HA 1 41 VAL HA . . 3.690 3.494 3.029 3.754 0.064 10 0 "[ . 1 . 2]" 1
639 1 30 VAL HA 1 41 VAL HB . . 4.240 4.203 3.828 4.317 0.077 12 0 "[ . 1 . 2]" 1
640 1 30 VAL HA 1 41 VAL MG1 . . 3.130 2.340 2.084 2.570 . 0 0 "[ . 1 . 2]" 1
641 1 30 VAL QG 1 31 HIS H . . 3.710 2.897 2.607 3.360 . 0 0 "[ . 1 . 2]" 1
642 1 30 VAL QG 1 31 HIS HA . . 4.800 3.680 3.440 3.978 . 0 0 "[ . 1 . 2]" 1
643 1 30 VAL QG 1 32 ASN H . . 3.740 3.108 2.798 3.711 . 0 0 "[ . 1 . 2]" 1
644 1 30 VAL QG 1 32 ASN HA . . 4.180 3.767 3.424 4.147 . 0 0 "[ . 1 . 2]" 1
645 1 30 VAL QG 1 33 GLU H . . 5.180 4.563 4.270 4.897 . 0 0 "[ . 1 . 2]" 1
646 1 30 VAL QG 1 33 GLU QB . . 5.130 4.091 2.838 4.430 . 0 0 "[ . 1 . 2]" 1
647 1 30 VAL QG 1 33 GLU QG . . 3.720 2.516 2.187 3.798 0.078 20 0 "[ . 1 . 2]" 1
648 1 30 VAL QG 1 39 MET HB3 . . 3.990 3.257 2.789 3.781 . 0 0 "[ . 1 . 2]" 1
649 1 30 VAL QG 1 40 TRP H . . 5.030 4.588 4.102 5.030 . 0 0 "[ . 1 . 2]" 1
650 1 31 HIS H 1 31 HIS HB2 . . 3.830 2.421 2.164 2.562 . 0 0 "[ . 1 . 2]" 1
651 1 31 HIS H 1 31 HIS HD2 . . 4.570 4.584 4.037 4.654 0.084 8 0 "[ . 1 . 2]" 1
652 1 31 HIS H 1 32 ASN H . . 3.190 2.034 1.880 2.346 . 0 0 "[ . 1 . 2]" 1
653 1 31 HIS H 1 32 ASN HB2 . . 5.140 5.042 4.795 5.213 0.073 2 0 "[ . 1 . 2]" 1
654 1 31 HIS H 1 32 ASN HB3 . . 5.100 5.117 4.799 5.188 0.088 14 0 "[ . 1 . 2]" 1
655 1 31 HIS H 1 40 TRP H . . 5.030 4.486 4.162 4.981 . 0 0 "[ . 1 . 2]" 1
656 1 31 HIS H 1 40 TRP HB3 . . 5.420 3.955 3.685 4.253 . 0 0 "[ . 1 . 2]" 1
657 1 31 HIS H 1 40 TRP HD1 . . 4.960 4.244 3.927 4.512 . 0 0 "[ . 1 . 2]" 1
658 1 31 HIS H 1 41 VAL HA . . 3.540 2.767 2.470 3.099 . 0 0 "[ . 1 . 2]" 1
659 1 31 HIS H 1 41 VAL HB . . 5.220 4.647 4.259 4.937 . 0 0 "[ . 1 . 2]" 1
660 1 31 HIS H 1 41 VAL MG1 . . 3.740 3.053 2.906 3.219 . 0 0 "[ . 1 . 2]" 1
661 1 31 HIS H 1 42 THR H . . 5.200 5.075 4.832 5.262 0.062 19 0 "[ . 1 . 2]" 1
662 1 31 HIS HA 1 31 HIS HD1 . . 4.300 2.442 2.186 2.883 . 0 0 "[ . 1 . 2]" 1
663 1 31 HIS HA 1 41 VAL HA . . 4.900 4.802 4.583 4.964 0.064 14 0 "[ . 1 . 2]" 1
664 1 31 HIS HB2 1 32 ASN H . . 4.320 3.296 2.629 3.587 . 0 0 "[ . 1 . 2]" 1
665 1 31 HIS HB2 1 40 TRP HD1 . . 3.600 2.472 2.227 2.804 . 0 0 "[ . 1 . 2]" 1
666 1 31 HIS HB3 1 32 ASN H . . 4.090 3.462 3.120 3.825 . 0 0 "[ . 1 . 2]" 1
667 1 31 HIS HB3 1 40 TRP HD1 . . 4.140 2.497 2.180 3.151 . 0 0 "[ . 1 . 2]" 1
668 1 31 HIS HD2 1 40 TRP HE1 . . 4.870 4.640 3.128 4.951 0.081 9 0 "[ . 1 . 2]" 1
669 1 31 HIS HD2 1 41 VAL H . . 5.500 5.194 4.469 5.567 0.067 3 0 "[ . 1 . 2]" 1
670 1 31 HIS HD2 1 41 VAL HA . . 3.810 3.375 2.901 3.672 . 0 0 "[ . 1 . 2]" 1
671 1 31 HIS HD2 1 42 THR H . . 4.300 3.490 2.758 3.950 . 0 0 "[ . 1 . 2]" 1
672 1 32 ASN H 1 32 ASN HB2 . . 3.890 3.290 3.022 3.497 . 0 0 "[ . 1 . 2]" 1
673 1 32 ASN H 1 32 ASN HB3 . . 3.960 3.167 2.869 3.318 . 0 0 "[ . 1 . 2]" 1
674 1 32 ASN H 1 33 GLU H . . 4.740 4.260 4.145 4.349 . 0 0 "[ . 1 . 2]" 1
675 1 32 ASN H 1 39 MET HB3 . . 5.330 4.153 3.674 4.690 . 0 0 "[ . 1 . 2]" 1
676 1 32 ASN H 1 40 TRP H . . 3.570 3.205 2.897 3.631 0.061 20 0 "[ . 1 . 2]" 1
677 1 32 ASN H 1 40 TRP HB2 . . 4.560 4.186 3.778 4.601 0.041 11 0 "[ . 1 . 2]" 1
678 1 32 ASN H 1 40 TRP HB3 . . 4.270 2.674 2.256 3.052 . 0 0 "[ . 1 . 2]" 1
679 1 32 ASN H 1 41 VAL HA . . 4.670 4.196 4.041 4.399 . 0 0 "[ . 1 . 2]" 1
680 1 32 ASN H 1 41 VAL MG1 . . 5.390 4.102 3.911 4.224 . 0 0 "[ . 1 . 2]" 1
681 1 32 ASN HA 1 32 ASN HD22 . . 4.640 4.410 4.072 4.675 0.035 10 0 "[ . 1 . 2]" 1
682 1 32 ASN HA 1 33 GLU H . . 2.720 2.382 2.239 2.687 . 0 0 "[ . 1 . 2]" 1
683 1 32 ASN HA 1 33 GLU QB . . 4.370 4.100 3.891 4.302 . 0 0 "[ . 1 . 2]" 1
684 1 32 ASN HA 1 33 GLU QG . . 4.080 3.584 2.878 4.115 0.035 11 0 "[ . 1 . 2]" 1
685 1 32 ASN HB2 1 32 ASN HD22 . . 3.890 3.922 3.805 4.049 0.159 15 0 "[ . 1 . 2]" 1
686 1 32 ASN HB2 1 33 GLU H . . 3.650 3.736 3.719 3.744 0.094 14 0 "[ . 1 . 2]" 1
687 1 32 ASN HB2 1 34 LEU MD1 . . 5.340 5.278 4.833 5.436 0.096 8 0 "[ . 1 . 2]" 1
688 1 32 ASN HB2 1 34 LEU HG . . 5.320 5.278 4.795 5.392 0.072 2 0 "[ . 1 . 2]" 1
689 1 32 ASN HB2 1 40 TRP H . . 4.720 4.479 4.095 4.774 0.054 11 0 "[ . 1 . 2]" 1
690 1 32 ASN HB2 1 40 TRP HB2 . . 4.480 3.779 3.255 4.201 . 0 0 "[ . 1 . 2]" 1
691 1 32 ASN HB2 1 40 TRP HB3 . . 3.930 2.843 2.467 3.085 . 0 0 "[ . 1 . 2]" 1
692 1 32 ASN HB3 1 32 ASN HD22 . . 3.890 3.553 3.471 3.648 . 0 0 "[ . 1 . 2]" 1
693 1 32 ASN HB3 1 33 GLU H . . 3.630 3.136 2.786 3.418 . 0 0 "[ . 1 . 2]" 1
694 1 32 ASN HB3 1 34 LEU MD2 . . 4.090 3.977 2.920 4.193 0.103 11 0 "[ . 1 . 2]" 1
695 1 32 ASN HB3 1 34 LEU HG . . 4.960 3.645 3.055 3.881 . 0 0 "[ . 1 . 2]" 1
696 1 32 ASN HB3 1 40 TRP H . . 4.980 3.058 2.509 3.451 . 0 0 "[ . 1 . 2]" 1
697 1 32 ASN HB3 1 40 TRP HB3 . . 4.070 2.356 2.202 2.703 . 0 0 "[ . 1 . 2]" 1
698 1 32 ASN HD21 1 34 LEU MD1 . . 5.500 3.864 3.131 4.311 . 0 0 "[ . 1 . 2]" 1
699 1 32 ASN HD21 1 34 LEU MD2 . . 4.270 2.777 1.977 3.331 . 0 0 "[ . 1 . 2]" 1
700 1 32 ASN HD21 1 34 LEU HG . . 5.460 3.066 2.261 3.626 . 0 0 "[ . 1 . 2]" 1
701 1 32 ASN HD22 1 33 GLU H . . 4.960 3.229 2.655 3.620 . 0 0 "[ . 1 . 2]" 1
702 1 32 ASN HD22 1 34 LEU MD2 . . 4.010 3.421 2.669 4.275 0.265 18 0 "[ . 1 . 2]" 1
703 1 32 ASN HD22 1 34 LEU HG . . 4.900 4.087 3.272 5.047 0.147 8 0 "[ . 1 . 2]" 1
704 1 33 GLU H 1 33 GLU QB . . 3.370 2.563 2.353 3.247 . 0 0 "[ . 1 . 2]" 1
705 1 33 GLU H 1 33 GLU QG . . 3.480 3.151 2.320 3.453 . 0 0 "[ . 1 . 2]" 1
706 1 33 GLU H 1 34 LEU H . . 5.110 4.224 4.028 4.419 . 0 0 "[ . 1 . 2]" 1
707 1 33 GLU H 1 34 LEU HG . . 4.450 4.027 3.619 4.259 . 0 0 "[ . 1 . 2]" 1
708 1 33 GLU HA 1 33 GLU QG . . 3.180 2.391 2.257 3.238 0.058 20 0 "[ . 1 . 2]" 1
709 1 33 GLU HA 1 34 LEU H . . 2.940 2.125 1.984 2.196 . 0 0 "[ . 1 . 2]" 1
710 1 33 GLU HA 1 34 LEU MD1 . . 5.230 4.377 3.828 4.840 . 0 0 "[ . 1 . 2]" 1
711 1 33 GLU HA 1 34 LEU MD2 . . 5.340 5.090 4.446 5.283 . 0 0 "[ . 1 . 2]" 1
712 1 33 GLU HA 1 34 LEU HG . . 5.030 3.807 3.452 4.036 . 0 0 "[ . 1 . 2]" 1
713 1 33 GLU HA 1 39 MET HA . . 3.290 3.089 2.546 3.374 0.084 11 0 "[ . 1 . 2]" 1
714 1 33 GLU HA 1 39 MET HB3 . . 4.410 3.768 2.942 4.281 . 0 0 "[ . 1 . 2]" 1
715 1 33 GLU HA 1 39 MET HG2 . . 4.200 2.904 2.403 3.429 . 0 0 "[ . 1 . 2]" 1
716 1 33 GLU HA 1 40 TRP H . . 4.410 3.863 3.347 4.250 . 0 0 "[ . 1 . 2]" 1
717 1 33 GLU QB 1 34 LEU H . . 3.920 3.305 3.034 3.508 . 0 0 "[ . 1 . 2]" 1
718 1 33 GLU QG 1 34 LEU H . . 3.960 4.032 3.846 4.080 0.120 20 0 "[ . 1 . 2]" 1
719 1 34 LEU H 1 34 LEU HB2 . . 4.040 2.612 2.437 2.733 . 0 0 "[ . 1 . 2]" 1
720 1 34 LEU H 1 34 LEU HB3 . . 4.070 3.755 3.682 3.834 . 0 0 "[ . 1 . 2]" 1
721 1 34 LEU H 1 34 LEU MD1 . . 3.860 3.404 2.923 3.937 0.077 8 0 "[ . 1 . 2]" 1
722 1 34 LEU H 1 34 LEU MD2 . . 4.100 4.127 3.738 4.198 0.098 20 0 "[ . 1 . 2]" 1
723 1 34 LEU H 1 34 LEU HG . . 3.640 2.893 2.518 3.172 . 0 0 "[ . 1 . 2]" 1
724 1 34 LEU H 1 35 GLU H . . 4.940 4.414 4.279 4.579 . 0 0 "[ . 1 . 2]" 1
725 1 34 LEU H 1 38 TRP H . . 5.010 4.661 3.986 5.079 0.069 19 0 "[ . 1 . 2]" 1
726 1 34 LEU H 1 39 MET H . . 5.410 5.282 4.813 5.486 0.076 9 0 "[ . 1 . 2]" 1
727 1 34 LEU H 1 39 MET HA . . 3.520 2.928 2.750 3.152 . 0 0 "[ . 1 . 2]" 1
728 1 34 LEU H 1 39 MET HB3 . . 5.090 4.682 4.093 5.127 0.037 2 0 "[ . 1 . 2]" 1
729 1 34 LEU H 1 39 MET HG2 . . 4.780 3.433 2.918 3.978 . 0 0 "[ . 1 . 2]" 1
730 1 34 LEU H 1 40 TRP H . . 4.290 4.368 4.342 4.377 0.087 20 0 "[ . 1 . 2]" 1
731 1 34 LEU HA 1 34 LEU MD1 . . 4.550 3.919 3.845 3.970 . 0 0 "[ . 1 . 2]" 1
732 1 34 LEU HA 1 34 LEU MD2 . . 3.030 2.483 2.259 2.752 . 0 0 "[ . 1 . 2]" 1
733 1 34 LEU HA 1 34 LEU HG . . 3.790 2.831 2.627 3.165 . 0 0 "[ . 1 . 2]" 1
734 1 34 LEU HA 1 35 GLU H . . 3.260 2.734 2.207 2.913 . 0 0 "[ . 1 . 2]" 1
735 1 34 LEU HB2 1 34 LEU MD1 . . 3.110 2.223 2.189 2.290 . 0 0 "[ . 1 . 2]" 1
736 1 34 LEU HB2 1 35 GLU H . . 3.740 3.132 2.812 3.800 0.060 2 0 "[ . 1 . 2]" 1
737 1 34 LEU HB2 1 38 TRP H . . 4.940 3.447 2.946 3.820 . 0 0 "[ . 1 . 2]" 1
738 1 34 LEU HB2 1 38 TRP HB2 . . 4.140 2.921 2.311 3.488 . 0 0 "[ . 1 . 2]" 1
739 1 34 LEU HB3 1 34 LEU MD2 . . 3.230 2.269 2.187 2.390 . 0 0 "[ . 1 . 2]" 1
740 1 34 LEU HB3 1 35 GLU H . . 3.340 2.165 1.930 2.816 . 0 0 "[ . 1 . 2]" 1
741 1 34 LEU MD1 1 35 GLU H . . 4.910 4.448 4.118 4.977 0.067 2 0 "[ . 1 . 2]" 1
742 1 34 LEU MD1 1 38 TRP H . . 5.500 4.316 4.036 4.841 . 0 0 "[ . 1 . 2]" 1
743 1 34 LEU MD1 1 38 TRP HB2 . . 4.420 2.887 2.468 3.441 . 0 0 "[ . 1 . 2]" 1
744 1 34 LEU MD1 1 38 TRP HB3 . . 4.270 2.676 2.238 3.213 . 0 0 "[ . 1 . 2]" 1
745 1 34 LEU MD1 1 39 MET H . . 4.660 3.462 3.167 3.953 . 0 0 "[ . 1 . 2]" 1
746 1 34 LEU MD1 1 39 MET HA . . 3.940 2.546 2.117 3.326 . 0 0 "[ . 1 . 2]" 1
747 1 34 LEU MD1 1 40 TRP H . . 3.800 2.941 2.540 3.379 . 0 0 "[ . 1 . 2]" 1
748 1 34 LEU MD1 1 40 TRP HB2 . . 3.410 2.953 2.538 3.310 . 0 0 "[ . 1 . 2]" 1
749 1 34 LEU MD1 1 40 TRP HB3 . . 4.520 4.233 3.779 4.570 0.050 15 0 "[ . 1 . 2]" 1
750 1 34 LEU MD1 1 51 LEU QD . . 4.160 1.904 1.806 2.032 . 0 0 "[ . 1 . 2]" 1
751 1 34 LEU MD2 1 35 GLU H . . 4.000 3.668 3.392 3.892 . 0 0 "[ . 1 . 2]" 1
752 1 34 LEU MD2 1 39 MET HA . . 4.990 4.792 4.181 5.067 0.077 11 0 "[ . 1 . 2]" 1
753 1 34 LEU MD2 1 40 TRP H . . 4.780 4.622 3.639 4.861 0.081 15 0 "[ . 1 . 2]" 1
754 1 34 LEU MD2 1 51 LEU QD . . 4.180 3.325 3.117 3.532 . 0 0 "[ . 1 . 2]" 1
755 1 34 LEU HG 1 39 MET HA . . 4.120 3.495 2.619 3.931 . 0 0 "[ . 1 . 2]" 1
756 1 35 GLU H 1 35 GLU HB2 . . 3.460 2.526 2.146 2.756 . 0 0 "[ . 1 . 2]" 1
757 1 35 GLU H 1 35 GLU QG . . 3.410 3.039 2.239 3.373 . 0 0 "[ . 1 . 2]" 1
758 1 35 GLU H 1 36 ASP H . . 4.800 2.862 2.186 3.623 . 0 0 "[ . 1 . 2]" 1
759 1 35 GLU H 1 38 TRP HB2 . . 5.340 4.863 4.353 5.360 0.020 2 0 "[ . 1 . 2]" 1
760 1 35 GLU HA 1 35 GLU QG . . 3.190 2.479 2.261 2.853 . 0 0 "[ . 1 . 2]" 1
761 1 35 GLU HA 1 36 ASP H . . 2.880 2.644 2.152 2.970 0.090 7 0 "[ . 1 . 2]" 1
762 1 35 GLU HA 1 38 TRP H . . 5.390 4.968 4.395 5.426 0.036 17 0 "[ . 1 . 2]" 1
763 1 35 GLU HB2 1 36 ASP QB . . 4.670 4.310 3.852 4.610 . 0 0 "[ . 1 . 2]" 1
764 1 35 GLU HB3 1 36 ASP H . . 4.250 4.257 3.916 4.339 0.089 16 0 "[ . 1 . 2]" 1
765 1 35 GLU HB3 1 36 ASP HA . . 4.960 4.806 4.496 5.014 0.054 12 0 "[ . 1 . 2]" 1
766 1 35 GLU HB3 1 36 ASP QB . . 4.940 4.755 3.939 4.863 . 0 0 "[ . 1 . 2]" 1
767 1 35 GLU QG 1 36 ASP H . . 4.800 4.462 4.259 4.654 . 0 0 "[ . 1 . 2]" 1
768 1 36 ASP H 1 36 ASP HA . . 2.890 2.905 2.688 2.976 0.086 7 0 "[ . 1 . 2]" 1
769 1 36 ASP H 1 37 GLY H . . 3.630 2.104 1.652 2.627 . 0 0 "[ . 1 . 2]" 1
770 1 36 ASP H 1 38 TRP H . . 4.920 2.829 2.609 3.400 . 0 0 "[ . 1 . 2]" 1
771 1 36 ASP H 1 38 TRP HD1 . . 5.450 4.500 4.032 5.039 . 0 0 "[ . 1 . 2]" 1
772 1 36 ASP HA 1 37 GLY H . . 3.460 3.063 2.674 3.347 . 0 0 "[ . 1 . 2]" 1
773 1 36 ASP QB 1 37 GLY H . . 4.770 3.862 3.530 4.111 . 0 0 "[ . 1 . 2]" 1
774 1 36 ASP QB 1 38 TRP HD1 . . 3.520 2.365 2.041 3.262 . 0 0 "[ . 1 . 2]" 1
775 1 36 ASP QB 1 38 TRP HE1 . . 4.500 4.329 3.879 4.453 . 0 0 "[ . 1 . 2]" 1
776 1 37 GLY H 1 38 TRP H . . 3.420 2.556 2.284 2.952 . 0 0 "[ . 1 . 2]" 1
777 1 37 GLY HA2 1 53 VAL QG . . 5.260 4.396 3.939 5.033 . 0 0 "[ . 1 . 2]" 1
778 1 37 GLY HA2 1 54 GLU HB3 . . 4.480 4.209 3.822 4.535 0.055 9 0 "[ . 1 . 2]" 1
779 1 37 GLY HA2 1 54 GLU HG2 . . 5.150 2.814 2.261 3.677 . 0 0 "[ . 1 . 2]" 1
780 1 37 GLY HA2 1 54 GLU HG3 . . 4.620 4.049 3.352 4.540 . 0 0 "[ . 1 . 2]" 1
781 1 37 GLY HA3 1 53 VAL QG . . 5.120 3.494 2.925 4.205 . 0 0 "[ . 1 . 2]" 1
782 1 37 GLY HA3 1 54 GLU HB3 . . 5.190 5.149 4.792 5.269 0.079 11 0 "[ . 1 . 2]" 1
783 1 37 GLY HA3 1 54 GLU HG2 . . 4.450 3.280 2.964 4.518 0.068 19 0 "[ . 1 . 2]" 1
784 1 37 GLY HA3 1 54 GLU HG3 . . 4.630 4.560 3.560 4.707 0.077 3 0 "[ . 1 . 2]" 1
785 1 38 TRP H 1 38 TRP HB2 . . 3.460 2.517 2.327 2.786 . 0 0 "[ . 1 . 2]" 1
786 1 38 TRP H 1 39 MET H . . 4.880 4.483 4.272 4.639 . 0 0 "[ . 1 . 2]" 1
787 1 38 TRP H 1 39 MET HG3 . . 5.420 4.341 3.915 4.956 . 0 0 "[ . 1 . 2]" 1
788 1 38 TRP H 1 53 VAL QG . . 5.500 4.733 4.014 5.256 . 0 0 "[ . 1 . 2]" 1
789 1 38 TRP HA 1 39 MET H . . 2.990 2.307 2.218 2.413 . 0 0 "[ . 1 . 2]" 1
790 1 38 TRP HA 1 39 MET ME . . 4.330 3.891 2.685 4.396 0.066 14 0 "[ . 1 . 2]" 1
791 1 38 TRP HA 1 52 ILE H . . 4.920 4.323 3.992 4.495 . 0 0 "[ . 1 . 2]" 1
792 1 38 TRP HA 1 53 VAL H . . 4.970 4.885 4.576 5.040 0.070 16 0 "[ . 1 . 2]" 1
793 1 38 TRP HA 1 53 VAL HA . . 3.240 2.462 2.249 2.653 . 0 0 "[ . 1 . 2]" 1
794 1 38 TRP HA 1 53 VAL HB . . 5.080 4.509 3.679 5.103 0.023 10 0 "[ . 1 . 2]" 1
795 1 38 TRP HA 1 53 VAL QG . . 4.090 3.544 2.762 3.833 . 0 0 "[ . 1 . 2]" 1
796 1 38 TRP HA 1 54 GLU H . . 4.050 3.457 3.135 3.828 . 0 0 "[ . 1 . 2]" 1
797 1 38 TRP HB2 1 51 LEU QD . . 5.500 3.470 2.971 3.851 . 0 0 "[ . 1 . 2]" 1
798 1 38 TRP HB3 1 38 TRP HE3 . . 3.720 2.591 2.407 2.838 . 0 0 "[ . 1 . 2]" 1
799 1 38 TRP HB3 1 39 MET H . . 3.790 2.789 2.466 3.006 . 0 0 "[ . 1 . 2]" 1
800 1 38 TRP HB3 1 51 LEU QD . . 3.810 2.374 1.986 2.741 . 0 0 "[ . 1 . 2]" 1
801 1 38 TRP HE1 1 53 VAL QG . . 4.690 3.881 3.248 4.567 . 0 0 "[ . 1 . 2]" 1
802 1 38 TRP HE3 1 39 MET H . . 4.160 3.040 2.593 3.403 . 0 0 "[ . 1 . 2]" 1
803 1 38 TRP HE3 1 51 LEU HB2 . . 4.520 3.851 3.604 4.162 . 0 0 "[ . 1 . 2]" 1
804 1 38 TRP HE3 1 51 LEU HB3 . . 3.830 2.265 2.150 2.437 . 0 0 "[ . 1 . 2]" 1
805 1 38 TRP HE3 1 51 LEU QD . . 4.720 3.012 2.528 3.297 . 0 0 "[ . 1 . 2]" 1
806 1 38 TRP HE3 1 52 ILE H . . 4.360 2.733 2.432 2.971 . 0 0 "[ . 1 . 2]" 1
807 1 38 TRP HE3 1 52 ILE HA . . 5.030 3.506 3.321 3.746 . 0 0 "[ . 1 . 2]" 1
808 1 38 TRP HE3 1 53 VAL QG . . 5.420 4.205 3.333 4.489 . 0 0 "[ . 1 . 2]" 1
809 1 38 TRP HH2 1 51 LEU HB3 . . 5.420 5.070 4.736 5.341 . 0 0 "[ . 1 . 2]" 1
810 1 38 TRP HH2 1 52 ILE HA . . 4.530 4.314 4.126 4.442 . 0 0 "[ . 1 . 2]" 1
811 1 38 TRP HH2 1 53 VAL HB . . 5.050 3.490 3.035 5.152 0.102 10 0 "[ . 1 . 2]" 1
812 1 38 TRP HH2 1 53 VAL QG . . 4.720 3.565 2.304 3.979 . 0 0 "[ . 1 . 2]" 1
813 1 38 TRP HZ2 1 53 VAL HB . . 5.450 3.885 3.005 5.475 0.025 19 0 "[ . 1 . 2]" 1
814 1 38 TRP HZ2 1 53 VAL QG . . 4.230 3.593 2.569 3.990 . 0 0 "[ . 1 . 2]" 1
815 1 38 TRP HZ3 1 51 LEU HB2 . . 5.180 3.846 3.433 4.180 . 0 0 "[ . 1 . 2]" 1
816 1 38 TRP HZ3 1 51 LEU HB3 . . 4.580 3.185 2.867 3.488 . 0 0 "[ . 1 . 2]" 1
817 1 38 TRP HZ3 1 51 LEU QD . . 5.500 4.289 4.024 4.510 . 0 0 "[ . 1 . 2]" 1
818 1 38 TRP HZ3 1 52 ILE H . . 5.320 3.638 3.520 3.782 . 0 0 "[ . 1 . 2]" 1
819 1 38 TRP HZ3 1 52 ILE HB . . 5.340 4.544 4.355 4.739 . 0 0 "[ . 1 . 2]" 1
820 1 38 TRP HZ3 1 52 ILE HG13 . . 5.130 5.210 5.187 5.216 0.086 3 0 "[ . 1 . 2]" 1
821 1 38 TRP HZ3 1 53 VAL H . . 5.000 3.211 2.992 3.710 . 0 0 "[ . 1 . 2]" 1
822 1 38 TRP HZ3 1 53 VAL QG . . 5.280 3.854 2.891 4.144 . 0 0 "[ . 1 . 2]" 1
823 1 39 MET H 1 39 MET HB2 . . 3.730 2.767 2.630 2.967 . 0 0 "[ . 1 . 2]" 1
824 1 39 MET H 1 39 MET HB3 . . 4.130 3.853 3.782 3.936 . 0 0 "[ . 1 . 2]" 1
825 1 39 MET H 1 39 MET ME . . 4.230 3.506 2.328 3.842 . 0 0 "[ . 1 . 2]" 1
826 1 39 MET H 1 39 MET HG3 . . 4.140 3.227 2.992 3.439 . 0 0 "[ . 1 . 2]" 1
827 1 39 MET H 1 40 TRP H . . 4.540 4.304 4.148 4.419 . 0 0 "[ . 1 . 2]" 1
828 1 39 MET H 1 51 LEU HA . . 4.670 4.073 3.821 4.223 . 0 0 "[ . 1 . 2]" 1
829 1 39 MET H 1 51 LEU QD . . 4.450 3.276 2.679 3.575 . 0 0 "[ . 1 . 2]" 1
830 1 39 MET H 1 52 ILE H . . 3.580 2.779 2.538 3.006 . 0 0 "[ . 1 . 2]" 1
831 1 39 MET H 1 52 ILE MD . . 5.500 4.063 3.584 4.727 . 0 0 "[ . 1 . 2]" 1
832 1 39 MET H 1 52 ILE MG . . 5.480 5.196 4.814 5.353 . 0 0 "[ . 1 . 2]" 1
833 1 39 MET H 1 53 VAL HA . . 4.020 3.850 3.369 4.070 0.050 17 0 "[ . 1 . 2]" 1
834 1 39 MET H 1 53 VAL QG . . 5.500 5.019 4.366 5.238 . 0 0 "[ . 1 . 2]" 1
835 1 39 MET H 1 54 GLU H . . 5.110 4.894 4.554 5.172 0.062 13 0 "[ . 1 . 2]" 1
836 1 39 MET HA 1 39 MET HG2 . . 4.100 2.736 2.541 3.341 . 0 0 "[ . 1 . 2]" 1
837 1 39 MET HA 1 40 TRP H . . 3.010 2.234 2.054 2.440 . 0 0 "[ . 1 . 2]" 1
838 1 39 MET HB2 1 40 TRP H . . 3.970 3.985 3.671 4.057 0.087 2 0 "[ . 1 . 2]" 1
839 1 39 MET HB2 1 41 VAL MG1 . . 3.440 2.789 2.458 3.059 . 0 0 "[ . 1 . 2]" 1
840 1 39 MET HB2 1 52 ILE MD . . 5.090 3.156 2.761 3.462 . 0 0 "[ . 1 . 2]" 1
841 1 39 MET HB3 1 40 TRP H . . 3.860 3.019 2.626 3.303 . 0 0 "[ . 1 . 2]" 1
842 1 39 MET HB3 1 41 VAL MG1 . . 4.030 3.002 2.629 3.671 . 0 0 "[ . 1 . 2]" 1
843 1 39 MET HB3 1 52 ILE MD . . 5.280 4.449 3.994 4.754 . 0 0 "[ . 1 . 2]" 1
844 1 39 MET ME 1 39 MET HG3 . . 3.220 2.339 2.255 2.449 . 0 0 "[ . 1 . 2]" 1
845 1 39 MET ME 1 52 ILE H . . 4.850 4.652 3.637 4.937 0.087 12 0 "[ . 1 . 2]" 1
846 1 39 MET ME 1 52 ILE HB . . 4.580 4.578 3.603 4.684 0.104 12 0 "[ . 1 . 2]" 1
847 1 39 MET ME 1 52 ILE MD . . 3.570 2.057 1.861 2.679 . 0 0 "[ . 1 . 2]" 1
848 1 39 MET ME 1 52 ILE HG12 . . 4.870 3.853 3.515 4.238 . 0 0 "[ . 1 . 2]" 1
849 1 39 MET ME 1 53 VAL H . . 5.500 4.905 3.865 5.466 . 0 0 "[ . 1 . 2]" 1
850 1 39 MET ME 1 53 VAL HA . . 4.310 3.883 2.700 4.397 0.087 14 0 "[ . 1 . 2]" 1
851 1 39 MET ME 1 54 GLU H . . 3.570 3.169 2.437 3.644 0.074 7 0 "[ . 1 . 2]" 1
852 1 39 MET ME 1 54 GLU HA . . 2.930 2.374 2.141 2.938 0.008 3 0 "[ . 1 . 2]" 1
853 1 39 MET ME 1 54 GLU HB3 . . 2.840 2.107 1.998 2.209 . 0 0 "[ . 1 . 2]" 1
854 1 39 MET ME 1 54 GLU HG2 . . 4.150 4.064 3.406 4.228 0.078 18 0 "[ . 1 . 2]" 1
855 1 39 MET ME 1 57 VAL MG1 . . 4.150 3.605 3.115 4.258 0.108 19 0 "[ . 1 . 2]" 1
856 1 39 MET ME 1 57 VAL MG2 . . 2.910 2.427 2.044 3.001 0.091 13 0 "[ . 1 . 2]" 1
857 1 39 MET HG3 1 52 ILE MD . . 5.500 4.468 3.804 5.292 . 0 0 "[ . 1 . 2]" 1
858 1 39 MET HG3 1 54 GLU H . . 5.260 4.610 3.839 5.304 0.044 9 0 "[ . 1 . 2]" 1
859 1 40 TRP H 1 40 TRP HB2 . . 3.690 2.632 2.481 2.766 . 0 0 "[ . 1 . 2]" 1
860 1 40 TRP H 1 40 TRP HB3 . . 3.660 2.689 2.524 2.817 . 0 0 "[ . 1 . 2]" 1
861 1 40 TRP H 1 40 TRP HE3 . . 4.630 4.703 4.689 4.711 0.081 7 0 "[ . 1 . 2]" 1
862 1 40 TRP HA 1 40 TRP HD1 . . 5.000 3.889 3.651 4.160 . 0 0 "[ . 1 . 2]" 1
863 1 40 TRP HA 1 40 TRP HE3 . . 4.260 3.349 2.973 3.763 . 0 0 "[ . 1 . 2]" 1
864 1 40 TRP HA 1 41 VAL H . . 2.890 2.218 2.174 2.256 . 0 0 "[ . 1 . 2]" 1
865 1 40 TRP HA 1 41 VAL MG2 . . 4.510 3.661 3.298 4.186 . 0 0 "[ . 1 . 2]" 1
866 1 40 TRP HA 1 51 LEU HA . . 3.860 2.697 2.402 3.163 . 0 0 "[ . 1 . 2]" 1
867 1 40 TRP HA 1 51 LEU QD . . 4.030 2.411 2.092 2.721 . 0 0 "[ . 1 . 2]" 1
868 1 40 TRP HB2 1 40 TRP HE3 . . 3.930 2.484 2.351 2.635 . 0 0 "[ . 1 . 2]" 1
869 1 40 TRP HB2 1 41 VAL H . . 4.850 4.302 4.187 4.399 . 0 0 "[ . 1 . 2]" 1
870 1 40 TRP HB3 1 41 VAL H . . 5.000 4.001 3.834 4.170 . 0 0 "[ . 1 . 2]" 1
871 1 40 TRP HD1 1 41 VAL H . . 4.580 3.310 3.035 3.667 . 0 0 "[ . 1 . 2]" 1
872 1 40 TRP HD1 1 49 GLN HB3 . . 5.240 4.456 3.290 4.947 . 0 0 "[ . 1 . 2]" 1
873 1 40 TRP HE1 1 49 GLN HA . . 5.430 4.382 3.834 5.129 . 0 0 "[ . 1 . 2]" 1
874 1 40 TRP HE1 1 49 GLN HB3 . . 3.480 2.471 1.840 2.998 . 0 0 "[ . 1 . 2]" 1
875 1 40 TRP HE1 1 49 GLN HE21 . . 5.500 5.348 4.401 5.940 0.440 18 0 "[ . 1 . 2]" 1
876 1 40 TRP HE1 1 49 GLN HG2 . . 4.750 3.513 2.427 4.126 . 0 0 "[ . 1 . 2]" 1
877 1 40 TRP HE1 1 49 GLN HG3 . . 5.300 4.777 3.640 5.374 0.074 12 0 "[ . 1 . 2]" 1
878 1 40 TRP HE1 1 50 GLY H . . 4.940 3.604 3.135 4.515 . 0 0 "[ . 1 . 2]" 1
879 1 40 TRP HE3 1 51 LEU QD . . 3.330 2.115 1.823 2.574 . 0 0 "[ . 1 . 2]" 1
880 1 40 TRP HE3 1 51 LEU HG . . 3.810 3.018 2.505 3.918 0.108 12 0 "[ . 1 . 2]" 1
881 1 40 TRP HH2 1 50 GLY HA2 . . 4.790 3.352 2.786 4.248 . 0 0 "[ . 1 . 2]" 1
882 1 40 TRP HH2 1 51 LEU QD . . 4.990 4.390 3.742 4.752 . 0 0 "[ . 1 . 2]" 1
883 1 40 TRP HZ2 1 49 GLN HB2 . . 4.170 3.637 2.707 4.230 0.060 13 0 "[ . 1 . 2]" 1
884 1 40 TRP HZ2 1 49 GLN HB3 . . 4.190 3.205 2.603 3.974 . 0 0 "[ . 1 . 2]" 1
885 1 40 TRP HZ3 1 50 GLY HA2 . . 4.890 3.855 3.252 4.676 . 0 0 "[ . 1 . 2]" 1
886 1 40 TRP HZ3 1 51 LEU QD . . 4.410 2.756 2.150 3.227 . 0 0 "[ . 1 . 2]" 1
887 1 40 TRP HZ3 1 51 LEU HG . . 3.970 3.058 2.406 4.049 0.079 11 0 "[ . 1 . 2]" 1
888 1 41 VAL H 1 41 VAL MG1 . . 3.580 3.049 2.908 3.167 . 0 0 "[ . 1 . 2]" 1
889 1 41 VAL H 1 41 VAL MG2 . . 3.320 2.368 2.198 2.603 . 0 0 "[ . 1 . 2]" 1
890 1 41 VAL H 1 50 GLY H . . 3.660 2.982 2.767 3.347 . 0 0 "[ . 1 . 2]" 1
891 1 41 VAL H 1 50 GLY HA3 . . 5.400 5.008 4.747 5.376 . 0 0 "[ . 1 . 2]" 1
892 1 41 VAL H 1 51 LEU QD . . 5.310 4.089 3.635 4.421 . 0 0 "[ . 1 . 2]" 1
893 1 41 VAL HA 1 41 VAL MG1 . . 3.420 2.453 2.389 2.542 . 0 0 "[ . 1 . 2]" 1
894 1 41 VAL HA 1 42 THR H . . 3.260 2.603 2.477 2.800 . 0 0 "[ . 1 . 2]" 1
895 1 41 VAL HA 1 42 THR HB . . 5.130 5.001 4.880 5.167 0.037 8 0 "[ . 1 . 2]" 1
896 1 41 VAL HB 1 42 THR H . . 3.390 2.086 1.891 2.272 . 0 0 "[ . 1 . 2]" 1
897 1 41 VAL HB 1 52 ILE MD . . 5.420 4.737 3.849 5.072 . 0 0 "[ . 1 . 2]" 1
898 1 41 VAL MG1 1 42 THR H . . 3.980 3.668 3.588 3.825 . 0 0 "[ . 1 . 2]" 1
899 1 41 VAL MG1 1 52 ILE MD . . 3.650 2.693 2.139 2.957 . 0 0 "[ . 1 . 2]" 1
900 1 41 VAL MG2 1 42 THR H . . 4.140 2.981 2.601 3.183 . 0 0 "[ . 1 . 2]" 1
901 1 41 VAL MG2 1 42 THR HB . . 5.490 4.982 4.631 5.217 . 0 0 "[ . 1 . 2]" 1
902 1 41 VAL MG2 1 50 GLY H . . 4.250 3.501 3.124 4.082 . 0 0 "[ . 1 . 2]" 1
903 1 41 VAL MG2 1 51 LEU HA . . 5.390 3.643 3.296 4.451 . 0 0 "[ . 1 . 2]" 1
904 1 41 VAL MG2 1 52 ILE HB . . 5.500 4.038 3.883 4.140 . 0 0 "[ . 1 . 2]" 1
905 1 41 VAL MG2 1 52 ILE MD . . 3.850 3.345 2.412 3.597 . 0 0 "[ . 1 . 2]" 1
906 1 41 VAL MG2 1 52 ILE HG13 . . 3.850 3.062 2.660 3.833 . 0 0 "[ . 1 . 2]" 1
907 1 42 THR H 1 42 THR HB . . 3.530 2.850 2.702 2.981 . 0 0 "[ . 1 . 2]" 1
908 1 42 THR H 1 43 ASN H . . 4.800 4.226 4.039 4.368 . 0 0 "[ . 1 . 2]" 1
909 1 42 THR HA 1 42 THR MG . . 3.460 2.355 2.194 2.519 . 0 0 "[ . 1 . 2]" 1
910 1 42 THR HA 1 43 ASN H . . 3.080 2.237 2.111 2.361 . 0 0 "[ . 1 . 2]" 1
911 1 42 THR HA 1 49 GLN H . . 4.940 4.621 4.168 5.004 0.064 19 0 "[ . 1 . 2]" 1
912 1 42 THR HA 1 49 GLN HA . . 3.280 2.178 1.929 2.544 . 0 0 "[ . 1 . 2]" 1
913 1 42 THR HA 1 49 GLN HG2 . . 4.290 3.502 2.396 4.365 0.075 3 0 "[ . 1 . 2]" 1
914 1 42 THR HA 1 49 GLN HG3 . . 4.350 3.358 2.544 4.335 . 0 0 "[ . 1 . 2]" 1
915 1 42 THR HA 1 50 GLY H . . 3.980 3.735 3.346 4.037 0.057 19 0 "[ . 1 . 2]" 1
916 1 42 THR HB 1 43 ASN H . . 4.630 3.995 3.748 4.203 . 0 0 "[ . 1 . 2]" 1
917 1 42 THR HB 1 44 LEU MD2 . . 4.860 3.205 2.466 4.161 . 0 0 "[ . 1 . 2]" 1
918 1 42 THR MG 1 43 ASN H . . 3.400 2.540 2.257 2.852 . 0 0 "[ . 1 . 2]" 1
919 1 42 THR MG 1 47 ASP H . . 4.190 3.648 3.100 4.145 . 0 0 "[ . 1 . 2]" 1
920 1 42 THR MG 1 47 ASP HA . . 3.560 2.257 1.883 2.725 . 0 0 "[ . 1 . 2]" 1
921 1 42 THR MG 1 47 ASP HB2 . . 5.000 4.105 3.674 4.592 . 0 0 "[ . 1 . 2]" 1
922 1 42 THR MG 1 47 ASP HB3 . . 4.880 4.255 3.842 4.634 . 0 0 "[ . 1 . 2]" 1
923 1 42 THR MG 1 48 GLU H . . 4.430 3.640 3.176 3.931 . 0 0 "[ . 1 . 2]" 1
924 1 42 THR MG 1 49 GLN H . . 5.500 4.021 3.340 4.769 . 0 0 "[ . 1 . 2]" 1
925 1 42 THR MG 1 49 GLN HA . . 4.180 3.188 2.472 3.761 . 0 0 "[ . 1 . 2]" 1
926 1 42 THR MG 1 49 GLN HE21 . . 5.180 2.978 1.753 4.097 . 0 0 "[ . 1 . 2]" 1
927 1 42 THR MG 1 49 GLN HE22 . . 4.840 4.092 2.815 4.918 0.078 11 0 "[ . 1 . 2]" 1
928 1 42 THR MG 1 49 GLN HG2 . . 4.820 2.922 2.272 3.788 . 0 0 "[ . 1 . 2]" 1
929 1 42 THR MG 1 49 GLN HG3 . . 4.660 2.289 2.142 2.637 . 0 0 "[ . 1 . 2]" 1
930 1 43 ASN H 1 43 ASN HB2 . . 3.600 2.652 2.131 3.120 . 0 0 "[ . 1 . 2]" 1
931 1 43 ASN H 1 43 ASN HB3 . . 3.560 2.585 2.170 3.089 . 0 0 "[ . 1 . 2]" 1
932 1 43 ASN H 1 43 ASN HD21 . . 5.470 4.996 4.665 5.276 . 0 0 "[ . 1 . 2]" 1
933 1 43 ASN H 1 48 GLU H . . 4.230 3.706 3.100 4.221 . 0 0 "[ . 1 . 2]" 1
934 1 43 ASN H 1 48 GLU HB2 . . 4.950 3.931 3.556 4.868 . 0 0 "[ . 1 . 2]" 1
935 1 43 ASN H 1 49 GLN HA . . 3.960 3.391 3.199 3.690 . 0 0 "[ . 1 . 2]" 1
936 1 43 ASN HA 1 44 LEU H . . 3.060 2.184 2.069 2.583 . 0 0 "[ . 1 . 2]" 1
937 1 43 ASN HA 1 44 LEU HG . . 4.370 3.994 3.488 4.434 0.064 18 0 "[ . 1 . 2]" 1
938 1 43 ASN HA 1 45 ARG H . . 4.710 3.699 3.482 4.508 . 0 0 "[ . 1 . 2]" 1
939 1 43 ASN HB2 1 44 LEU H . . 4.640 4.435 4.165 4.694 0.054 18 0 "[ . 1 . 2]" 1
940 1 43 ASN HB2 1 48 GLU HB2 . . 5.180 3.785 2.841 5.064 . 0 0 "[ . 1 . 2]" 1
941 1 43 ASN HB2 1 49 GLN HA . . 5.120 5.140 4.345 5.206 0.086 19 0 "[ . 1 . 2]" 1
942 1 43 ASN HB3 1 44 LEU H . . 5.190 4.231 3.520 4.511 . 0 0 "[ . 1 . 2]" 1
943 1 43 ASN HB3 1 45 ARG H . . 4.800 3.541 3.010 3.981 . 0 0 "[ . 1 . 2]" 1
944 1 43 ASN HB3 1 46 THR H . . 4.630 3.630 3.350 4.057 . 0 0 "[ . 1 . 2]" 1
945 1 43 ASN HB3 1 47 ASP H . . 4.690 4.259 3.830 4.692 0.002 20 0 "[ . 1 . 2]" 1
946 1 43 ASN HB3 1 47 ASP HA . . 5.000 4.960 4.553 5.078 0.078 17 0 "[ . 1 . 2]" 1
947 1 43 ASN HB3 1 48 GLU H . . 3.870 3.194 2.546 3.669 . 0 0 "[ . 1 . 2]" 1
948 1 43 ASN HB3 1 48 GLU HB2 . . 4.660 2.715 2.217 4.800 0.140 7 0 "[ . 1 . 2]" 1
949 1 43 ASN HD21 1 46 THR MG . . 5.490 4.837 3.720 5.598 0.108 13 0 "[ . 1 . 2]" 1
950 1 43 ASN HD22 1 46 THR MG . . 5.500 5.085 3.752 5.593 0.093 18 0 "[ . 1 . 2]" 1
951 1 44 LEU H 1 44 LEU HB2 . . 4.140 2.583 2.348 2.863 . 0 0 "[ . 1 . 2]" 1
952 1 44 LEU H 1 44 LEU HB3 . . 4.010 3.626 3.541 3.742 . 0 0 "[ . 1 . 2]" 1
953 1 44 LEU H 1 44 LEU MD1 . . 5.500 3.787 3.422 4.149 . 0 0 "[ . 1 . 2]" 1
954 1 44 LEU H 1 44 LEU MD2 . . 3.910 3.056 2.690 3.551 . 0 0 "[ . 1 . 2]" 1
955 1 44 LEU H 1 44 LEU HG . . 3.340 2.322 1.795 2.852 . 0 0 "[ . 1 . 2]" 1
956 1 44 LEU H 1 45 ARG H . . 3.770 2.844 2.346 3.053 . 0 0 "[ . 1 . 2]" 1
957 1 44 LEU H 1 46 THR H . . 5.370 4.789 4.567 5.048 . 0 0 "[ . 1 . 2]" 1
958 1 44 LEU H 1 47 ASP H . . 5.160 5.007 4.761 5.234 0.074 7 0 "[ . 1 . 2]" 1
959 1 44 LEU HA 1 44 LEU MD1 . . 3.930 3.791 3.590 3.990 0.060 1 0 "[ . 1 . 2]" 1
960 1 44 LEU HA 1 44 LEU MD2 . . 2.990 2.181 2.050 2.400 . 0 0 "[ . 1 . 2]" 1
961 1 44 LEU HA 1 46 THR H . . 5.010 3.823 3.287 4.466 . 0 0 "[ . 1 . 2]" 1
962 1 44 LEU HA 1 47 ASP H . . 4.410 3.214 2.671 3.696 . 0 0 "[ . 1 . 2]" 1
963 1 44 LEU HB2 1 45 ARG H . . 3.930 3.599 2.871 4.001 0.071 13 0 "[ . 1 . 2]" 1
964 1 44 LEU HB3 1 45 ARG H . . 4.490 4.326 3.737 4.508 0.018 3 0 "[ . 1 . 2]" 1
965 1 45 ARG H 1 45 ARG QB . . 3.470 2.323 2.137 2.665 . 0 0 "[ . 1 . 2]" 1
966 1 45 ARG H 1 45 ARG HD3 . . 5.350 4.916 4.135 6.061 0.711 8 2 "[ . +-1 . 2]" 1
967 1 45 ARG H 1 45 ARG HE . . 5.430 4.968 4.132 5.503 0.073 17 0 "[ . 1 . 2]" 1
968 1 45 ARG H 1 46 THR H . . 3.280 2.652 2.146 3.076 . 0 0 "[ . 1 . 2]" 1
969 1 45 ARG H 1 46 THR MG . . 4.780 4.410 3.598 4.876 0.096 2 0 "[ . 1 . 2]" 1
970 1 45 ARG H 1 47 ASP H . . 4.590 3.847 3.034 4.310 . 0 0 "[ . 1 . 2]" 1
971 1 45 ARG HA 1 45 ARG HD2 . . 5.110 4.816 4.220 5.602 0.492 20 0 "[ . 1 . 2]" 1
972 1 45 ARG HA 1 45 ARG QG . . 3.570 2.685 2.281 3.455 . 0 0 "[ . 1 . 2]" 1
973 1 45 ARG QB 1 45 ARG HD3 . . 3.890 2.553 2.112 3.372 . 0 0 "[ . 1 . 2]" 1
974 1 45 ARG QB 1 45 ARG HE . . 4.670 2.643 1.989 3.993 . 0 0 "[ . 1 . 2]" 1
975 1 45 ARG QB 1 46 THR H . . 4.040 2.961 2.409 3.632 . 0 0 "[ . 1 . 2]" 1
976 1 45 ARG QB 1 46 THR HA . . 5.230 4.595 4.259 4.956 . 0 0 "[ . 1 . 2]" 1
977 1 45 ARG QB 1 46 THR HB . . 5.460 4.030 3.045 5.334 . 0 0 "[ . 1 . 2]" 1
978 1 45 ARG QB 1 46 THR MG . . 5.500 2.965 2.241 4.101 . 0 0 "[ . 1 . 2]" 1
979 1 45 ARG HD3 1 46 THR MG . . 5.040 4.063 2.380 5.113 0.073 4 0 "[ . 1 . 2]" 1
980 1 45 ARG HE 1 46 THR MG . . 4.680 3.950 2.615 4.790 0.110 20 0 "[ . 1 . 2]" 1
981 1 45 ARG QG 1 46 THR HA . . 5.150 4.405 3.959 4.948 . 0 0 "[ . 1 . 2]" 1
982 1 45 ARG QG 1 46 THR MG . . 4.050 2.797 1.965 4.155 0.105 6 0 "[ . 1 . 2]" 1
983 1 46 THR H 1 46 THR MG . . 3.300 2.827 2.477 3.261 . 0 0 "[ . 1 . 2]" 1
984 1 46 THR H 1 47 ASP H . . 3.120 1.943 1.771 2.109 . 0 0 "[ . 1 . 2]" 1
985 1 46 THR H 1 47 ASP HA . . 4.220 4.017 3.807 4.206 . 0 0 "[ . 1 . 2]" 1
986 1 46 THR H 1 47 ASP HB3 . . 5.090 5.432 5.148 5.614 0.524 19 2 "[ . - . +2]" 1
987 1 46 THR H 1 48 GLU H . . 4.400 3.041 2.808 3.361 . 0 0 "[ . 1 . 2]" 1
988 1 46 THR HA 1 46 THR MG . . 3.270 2.913 2.169 3.280 0.010 20 0 "[ . 1 . 2]" 1
989 1 46 THR HA 1 48 GLU QG . . 5.480 5.175 4.298 5.399 . 0 0 "[ . 1 . 2]" 1
990 1 46 THR HB 1 48 GLU H . . 4.880 4.435 3.212 4.958 0.078 20 0 "[ . 1 . 2]" 1
991 1 46 THR MG 1 47 ASP H . . 4.330 3.856 3.181 4.407 0.077 2 0 "[ . 1 . 2]" 1
992 1 46 THR MG 1 48 GLU H . . 4.800 3.222 2.042 4.620 . 0 0 "[ . 1 . 2]" 1
993 1 46 THR MG 1 48 GLU QG . . 5.320 2.699 1.936 4.128 . 0 0 "[ . 1 . 2]" 1
994 1 47 ASP H 1 47 ASP HA . . 2.870 2.202 2.129 2.245 . 0 0 "[ . 1 . 2]" 1
995 1 47 ASP H 1 47 ASP HB2 . . 3.950 3.196 3.006 3.980 0.030 3 0 "[ . 1 . 2]" 1
996 1 47 ASP H 1 47 ASP HB3 . . 4.030 3.817 3.265 3.993 . 0 0 "[ . 1 . 2]" 1
997 1 47 ASP H 1 48 GLU H . . 3.390 2.611 2.335 3.014 . 0 0 "[ . 1 . 2]" 1
998 1 47 ASP HA 1 48 GLU H . . 3.570 3.015 2.780 3.297 . 0 0 "[ . 1 . 2]" 1
999 1 47 ASP HB2 1 48 GLU H . . 5.240 4.493 4.172 4.609 . 0 0 "[ . 1 . 2]" 1
1000 1 47 ASP HB3 1 48 GLU H . . 4.850 4.106 3.478 4.427 . 0 0 "[ . 1 . 2]" 1
1001 1 48 GLU H 1 48 GLU HB2 . . 3.300 2.376 2.121 3.703 0.403 9 0 "[ . 1 . 2]" 1
1002 1 48 GLU H 1 48 GLU HB3 . . 3.860 3.422 2.559 3.571 . 0 0 "[ . 1 . 2]" 1
1003 1 48 GLU H 1 48 GLU QG . . 3.600 2.727 1.979 3.316 . 0 0 "[ . 1 . 2]" 1
1004 1 48 GLU H 1 49 GLN H . . 4.820 4.516 4.201 4.705 . 0 0 "[ . 1 . 2]" 1
1005 1 48 GLU HA 1 48 GLU QG . . 3.410 2.364 2.073 3.204 . 0 0 "[ . 1 . 2]" 1
1006 1 48 GLU HA 1 49 GLN H . . 2.810 2.236 2.126 2.446 . 0 0 "[ . 1 . 2]" 1
1007 1 48 GLU HA 1 49 GLN HA . . 4.720 4.472 4.407 4.518 . 0 0 "[ . 1 . 2]" 1
1008 1 48 GLU HA 1 49 GLN HG3 . . 5.160 4.232 3.355 5.214 0.054 15 0 "[ . 1 . 2]" 1
1009 1 48 GLU QG 1 49 GLN H . . 4.240 3.856 3.416 4.070 . 0 0 "[ . 1 . 2]" 1
1010 1 49 GLN H 1 49 GLN HB2 . . 3.160 2.575 2.206 3.158 . 0 0 "[ . 1 . 2]" 1
1011 1 49 GLN H 1 49 GLN HG2 . . 4.390 4.176 3.701 4.465 0.075 15 0 "[ . 1 . 2]" 1
1012 1 49 GLN H 1 49 GLN HG3 . . 4.040 3.129 2.446 3.618 . 0 0 "[ . 1 . 2]" 1
1013 1 49 GLN H 1 50 GLY H . . 4.930 4.514 4.360 4.669 . 0 0 "[ . 1 . 2]" 1
1014 1 49 GLN HA 1 49 GLN HG2 . . 3.830 3.011 2.324 3.871 0.041 4 0 "[ . 1 . 2]" 1
1015 1 49 GLN HA 1 49 GLN HG3 . . 3.920 2.759 2.251 3.173 . 0 0 "[ . 1 . 2]" 1
1016 1 49 GLN HA 1 50 GLY H . . 3.030 2.304 2.208 2.496 . 0 0 "[ . 1 . 2]" 1
1017 1 49 GLN HA 1 50 GLY HA3 . . 5.090 4.360 4.231 4.518 . 0 0 "[ . 1 . 2]" 1
1018 1 49 GLN HB2 1 49 GLN HE22 . . 5.450 4.547 4.320 4.767 . 0 0 "[ . 1 . 2]" 1
1019 1 49 GLN HB2 1 50 GLY H . . 4.200 3.815 2.947 4.267 0.067 10 0 "[ . 1 . 2]" 1
1020 1 49 GLN HB3 1 50 GLY H . . 3.840 2.728 2.250 3.199 . 0 0 "[ . 1 . 2]" 1
1021 1 49 GLN HG2 1 50 GLY H . . 4.640 4.302 3.896 4.705 0.065 4 0 "[ . 1 . 2]" 1
1022 1 49 GLN HG3 1 50 GLY H . . 4.880 4.636 3.986 4.950 0.070 2 0 "[ . 1 . 2]" 1
1023 1 50 GLY HA2 1 51 LEU H . . 3.520 2.726 2.558 2.931 . 0 0 "[ . 1 . 2]" 1
1024 1 50 GLY HA2 1 51 LEU HG . . 5.240 3.794 3.177 5.207 . 0 0 "[ . 1 . 2]" 1
1025 1 50 GLY HA3 1 51 LEU H . . 3.340 2.303 2.190 2.454 . 0 0 "[ . 1 . 2]" 1
1026 1 50 GLY HA3 1 51 LEU HG . . 5.500 4.548 3.990 5.586 0.086 3 0 "[ . 1 . 2]" 1
1027 1 51 LEU H 1 51 LEU HB2 . . 3.600 2.290 2.141 2.463 . 0 0 "[ . 1 . 2]" 1
1028 1 51 LEU H 1 51 LEU HB3 . . 4.170 3.546 3.451 3.658 . 0 0 "[ . 1 . 2]" 1
1029 1 51 LEU H 1 51 LEU QD . . 4.200 3.118 2.211 3.495 . 0 0 "[ . 1 . 2]" 1
1030 1 51 LEU H 1 51 LEU HG . . 3.710 2.825 2.402 3.773 0.063 11 0 "[ . 1 . 2]" 1
1031 1 51 LEU H 1 52 ILE H . . 4.870 4.594 4.494 4.666 . 0 0 "[ . 1 . 2]" 1
1032 1 51 LEU HA 1 51 LEU QD . . 3.310 2.084 1.972 2.192 . 0 0 "[ . 1 . 2]" 1
1033 1 51 LEU HA 1 52 ILE H . . 2.980 2.186 2.033 2.234 . 0 0 "[ . 1 . 2]" 1
1034 1 51 LEU HA 1 52 ILE HA . . 4.650 4.482 4.414 4.523 . 0 0 "[ . 1 . 2]" 1
1035 1 51 LEU HB2 1 52 ILE H . . 4.650 4.143 3.985 4.294 . 0 0 "[ . 1 . 2]" 1
1036 1 51 LEU HB3 1 52 ILE H . . 4.350 3.048 2.886 3.173 . 0 0 "[ . 1 . 2]" 1
1037 1 51 LEU QD 1 52 ILE H . . 3.640 3.171 2.607 3.424 . 0 0 "[ . 1 . 2]" 1
1038 1 51 LEU HG 1 52 ILE H . . 4.940 4.874 4.372 5.028 0.088 3 0 "[ . 1 . 2]" 1
1039 1 52 ILE H 1 52 ILE MD . . 4.580 3.862 3.653 4.203 . 0 0 "[ . 1 . 2]" 1
1040 1 52 ILE H 1 52 ILE HG12 . . 4.320 3.600 2.718 3.956 . 0 0 "[ . 1 . 2]" 1
1041 1 52 ILE H 1 52 ILE HG13 . . 4.050 2.416 2.244 2.957 . 0 0 "[ . 1 . 2]" 1
1042 1 52 ILE H 1 52 ILE MG . . 4.020 3.087 2.852 3.207 . 0 0 "[ . 1 . 2]" 1
1043 1 52 ILE H 1 53 VAL H . . 5.130 4.357 4.263 4.445 . 0 0 "[ . 1 . 2]" 1
1044 1 52 ILE HA 1 52 ILE MD . . 4.630 3.829 3.722 4.161 . 0 0 "[ . 1 . 2]" 1
1045 1 52 ILE HA 1 53 VAL H . . 3.360 2.332 2.235 2.545 . 0 0 "[ . 1 . 2]" 1
1046 1 52 ILE HB 1 52 ILE MD . . 3.530 2.184 2.120 2.271 . 0 0 "[ . 1 . 2]" 1
1047 1 52 ILE HB 1 53 VAL H . . 3.390 2.686 2.436 2.896 . 0 0 "[ . 1 . 2]" 1
1048 1 52 ILE MD 1 52 ILE MG . . 3.010 2.901 2.251 3.108 0.098 12 0 "[ . 1 . 2]" 1
1049 1 52 ILE MD 1 53 VAL H . . 4.740 3.385 2.876 4.416 . 0 0 "[ . 1 . 2]" 1
1050 1 52 ILE MD 1 54 GLU HA . . 5.140 3.300 2.697 4.343 . 0 0 "[ . 1 . 2]" 1
1051 1 52 ILE MD 1 54 GLU HB3 . . 5.180 4.373 3.699 5.281 0.101 7 0 "[ . 1 . 2]" 1
1052 1 52 ILE MD 1 57 VAL H . . 5.500 5.083 4.640 5.591 0.091 7 0 "[ . 1 . 2]" 1
1053 1 52 ILE MD 1 57 VAL MG1 . . 3.350 2.174 2.025 2.360 . 0 0 "[ . 1 . 2]" 1
1054 1 52 ILE MD 1 57 VAL MG2 . . 4.120 2.803 2.182 3.202 . 0 0 "[ . 1 . 2]" 1
1055 1 52 ILE HG13 1 53 VAL H . . 4.310 4.280 3.707 4.381 0.071 4 0 "[ . 1 . 2]" 1
1056 1 52 ILE MG 1 53 VAL H . . 4.370 3.880 3.710 4.071 . 0 0 "[ . 1 . 2]" 1
1057 1 53 VAL H 1 53 VAL HB . . 3.740 2.731 2.463 3.525 . 0 0 "[ . 1 . 2]" 1
1058 1 53 VAL H 1 53 VAL QG . . 3.220 2.067 1.923 2.201 . 0 0 "[ . 1 . 2]" 1
1059 1 53 VAL H 1 54 GLU H . . 4.930 4.569 4.477 4.644 . 0 0 "[ . 1 . 2]" 1
1060 1 53 VAL HA 1 53 VAL QG . . 3.240 2.265 2.034 2.360 . 0 0 "[ . 1 . 2]" 1
1061 1 53 VAL HA 1 54 GLU H . . 2.990 2.251 2.153 2.324 . 0 0 "[ . 1 . 2]" 1
1062 1 53 VAL HA 1 54 GLU HA . . 4.310 4.344 4.268 4.380 0.070 10 0 "[ . 1 . 2]" 1
1063 1 53 VAL HA 1 54 GLU HB3 . . 4.540 4.390 4.287 4.530 . 0 0 "[ . 1 . 2]" 1
1064 1 53 VAL HA 1 55 ASP H . . 4.590 3.862 3.579 3.978 . 0 0 "[ . 1 . 2]" 1
1065 1 53 VAL HB 1 54 GLU H . . 4.220 4.091 2.904 4.280 0.060 20 0 "[ . 1 . 2]" 1
1066 1 53 VAL HB 1 55 ASP H . . 4.600 4.218 1.789 4.649 0.049 18 0 "[ . 1 . 2]" 1
1067 1 53 VAL QG 1 54 GLU H . . 3.370 2.538 2.354 3.042 . 0 0 "[ . 1 . 2]" 1
1068 1 53 VAL QG 1 54 GLU HB3 . . 5.200 4.446 4.200 4.889 . 0 0 "[ . 1 . 2]" 1
1069 1 53 VAL QG 1 54 GLU HG2 . . 5.300 3.484 2.827 5.086 . 0 0 "[ . 1 . 2]" 1
1070 1 53 VAL QG 1 54 GLU HG3 . . 5.250 4.141 3.694 4.618 . 0 0 "[ . 1 . 2]" 1
1071 1 53 VAL QG 1 55 ASP H . . 3.500 2.031 1.813 2.875 . 0 0 "[ . 1 . 2]" 1
1072 1 53 VAL QG 1 55 ASP HA . . 4.700 3.875 3.606 4.365 . 0 0 "[ . 1 . 2]" 1
1073 1 53 VAL QG 1 55 ASP HB2 . . 3.570 2.496 2.057 3.156 . 0 0 "[ . 1 . 2]" 1
1074 1 53 VAL QG 1 55 ASP HB3 . . 4.180 2.312 2.036 3.373 . 0 0 "[ . 1 . 2]" 1
1075 1 53 VAL QG 1 56 LEU H . . 3.560 2.963 2.704 3.368 . 0 0 "[ . 1 . 2]" 1
1076 1 53 VAL QG 1 56 LEU HB2 . . 4.060 3.075 2.861 3.349 . 0 0 "[ . 1 . 2]" 1
1077 1 53 VAL QG 1 56 LEU HB3 . . 5.300 4.278 4.044 4.606 . 0 0 "[ . 1 . 2]" 1
1078 1 53 VAL QG 1 56 LEU MD1 . . 3.490 2.370 1.989 2.713 . 0 0 "[ . 1 . 2]" 1
1079 1 53 VAL QG 1 56 LEU HG . . 3.570 2.542 2.068 3.036 . 0 0 "[ . 1 . 2]" 1
1080 1 54 GLU H 1 54 GLU HB3 . . 3.240 2.519 2.405 2.616 . 0 0 "[ . 1 . 2]" 1
1081 1 54 GLU H 1 54 GLU HG2 . . 4.020 2.305 2.008 3.589 . 0 0 "[ . 1 . 2]" 1
1082 1 54 GLU H 1 54 GLU HG3 . . 3.860 3.380 2.360 3.672 . 0 0 "[ . 1 . 2]" 1
1083 1 54 GLU H 1 55 ASP H . . 3.780 2.651 2.532 2.805 . 0 0 "[ . 1 . 2]" 1
1084 1 54 GLU H 1 55 ASP HA . . 5.030 5.062 4.916 5.107 0.077 6 0 "[ . 1 . 2]" 1
1085 1 54 GLU H 1 56 LEU H . . 5.310 4.726 4.519 4.934 . 0 0 "[ . 1 . 2]" 1
1086 1 54 GLU H 1 57 VAL MG2 . . 4.830 4.456 4.172 4.702 . 0 0 "[ . 1 . 2]" 1
1087 1 54 GLU HA 1 54 GLU HB2 . . 2.960 2.359 2.284 2.448 . 0 0 "[ . 1 . 2]" 1
1088 1 54 GLU HA 1 54 GLU HG2 . . 3.970 3.824 3.734 4.068 0.098 19 0 "[ . 1 . 2]" 1
1089 1 54 GLU HA 1 54 GLU HG3 . . 4.130 3.808 3.661 3.878 . 0 0 "[ . 1 . 2]" 1
1090 1 54 GLU HA 1 56 LEU H . . 4.270 3.596 3.272 3.868 . 0 0 "[ . 1 . 2]" 1
1091 1 54 GLU HA 1 57 VAL H . . 4.380 3.947 3.583 4.300 . 0 0 "[ . 1 . 2]" 1
1092 1 54 GLU HA 1 57 VAL MG1 . . 4.530 3.647 3.152 4.178 . 0 0 "[ . 1 . 2]" 1
1093 1 54 GLU HA 1 57 VAL MG2 . . 3.100 2.107 1.943 2.311 . 0 0 "[ . 1 . 2]" 1
1094 1 54 GLU HB2 1 55 ASP H . . 4.480 4.292 4.055 4.520 0.040 9 0 "[ . 1 . 2]" 1
1095 1 54 GLU HB2 1 55 ASP HA . . 5.160 4.963 4.628 5.230 0.070 9 0 "[ . 1 . 2]" 1
1096 1 54 GLU HB3 1 55 ASP H . . 4.810 4.269 4.092 4.475 . 0 0 "[ . 1 . 2]" 1
1097 1 54 GLU HG2 1 55 ASP HA . . 5.500 4.681 4.163 5.059 . 0 0 "[ . 1 . 2]" 1
1098 1 54 GLU HG2 1 57 VAL MG2 . . 5.270 5.147 4.975 5.350 0.080 10 0 "[ . 1 . 2]" 1
1099 1 54 GLU HG3 1 55 ASP HA . . 5.260 3.714 3.042 4.327 . 0 0 "[ . 1 . 2]" 1
1100 1 54 GLU HG3 1 57 VAL MG2 . . 5.350 4.736 4.483 5.093 . 0 0 "[ . 1 . 2]" 1
1101 1 55 ASP H 1 55 ASP HB2 . . 3.390 2.378 1.998 2.614 . 0 0 "[ . 1 . 2]" 1
1102 1 55 ASP H 1 55 ASP HB3 . . 3.540 2.574 2.281 3.534 . 0 0 "[ . 1 . 2]" 1
1103 1 55 ASP H 1 56 LEU H . . 3.600 2.757 2.620 2.895 . 0 0 "[ . 1 . 2]" 1
1104 1 55 ASP H 1 56 LEU HB2 . . 4.780 4.757 4.495 4.851 0.071 19 0 "[ . 1 . 2]" 1
1105 1 55 ASP H 1 56 LEU HG . . 5.160 4.009 3.690 4.499 . 0 0 "[ . 1 . 2]" 1
1106 1 55 ASP HA 1 55 ASP HB3 . . 2.970 3.011 2.750 3.043 0.073 12 0 "[ . 1 . 2]" 1
1107 1 55 ASP HA 1 57 VAL H . . 4.460 4.421 4.108 4.539 0.079 20 0 "[ . 1 . 2]" 1
1108 1 55 ASP HA 1 57 VAL MG2 . . 4.860 4.826 4.549 4.945 0.085 17 0 "[ . 1 . 2]" 1
1109 1 55 ASP HB2 1 56 LEU H . . 4.090 4.061 3.110 4.245 0.155 10 0 "[ . 1 . 2]" 1
1110 1 55 ASP HB2 1 56 LEU HG . . 4.600 3.906 2.569 4.385 . 0 0 "[ . 1 . 2]" 1
1111 1 55 ASP HB3 1 56 LEU H . . 4.220 3.165 2.941 3.541 . 0 0 "[ . 1 . 2]" 1
1112 1 55 ASP HB3 1 56 LEU MD2 . . 4.400 3.366 2.349 4.055 . 0 0 "[ . 1 . 2]" 1
1113 1 55 ASP HB3 1 56 LEU HG . . 4.840 2.360 2.176 2.851 . 0 0 "[ . 1 . 2]" 1
1114 1 56 LEU H 1 56 LEU HB2 . . 3.490 2.545 2.455 2.625 . 0 0 "[ . 1 . 2]" 1
1115 1 56 LEU H 1 56 LEU HB3 . . 3.940 3.731 3.675 3.793 . 0 0 "[ . 1 . 2]" 1
1116 1 56 LEU H 1 56 LEU MD1 . . 4.000 3.925 3.796 4.084 0.084 20 0 "[ . 1 . 2]" 1
1117 1 56 LEU H 1 56 LEU HG . . 3.690 2.839 2.542 3.232 . 0 0 "[ . 1 . 2]" 1
1118 1 56 LEU H 1 57 VAL H . . 3.170 2.469 2.217 2.693 . 0 0 "[ . 1 . 2]" 1
1119 1 56 LEU H 1 57 VAL MG1 . . 5.160 3.350 2.600 3.873 . 0 0 "[ . 1 . 2]" 1
1120 1 56 LEU H 1 57 VAL MG2 . . 4.170 3.043 2.707 3.318 . 0 0 "[ . 1 . 2]" 1
1121 1 56 LEU HA 1 56 LEU MD1 . . 4.160 3.877 3.804 3.918 . 0 0 "[ . 1 . 2]" 1
1122 1 56 LEU HA 1 56 LEU HG . . 3.910 3.146 2.982 3.318 . 0 0 "[ . 1 . 2]" 1
1123 1 56 LEU HB2 1 57 VAL H . . 4.660 3.920 3.750 4.092 . 0 0 "[ . 1 . 2]" 1
1124 1 56 LEU HB2 1 57 VAL MG1 . . 3.820 3.181 2.852 3.542 . 0 0 "[ . 1 . 2]" 1
1125 1 56 LEU HB3 1 56 LEU MD1 . . 3.280 2.399 2.297 2.532 . 0 0 "[ . 1 . 2]" 1
1126 1 56 LEU HB3 1 56 LEU MD2 . . 3.590 2.453 2.335 2.576 . 0 0 "[ . 1 . 2]" 1
1127 1 56 LEU HB3 1 57 VAL H . . 4.990 4.476 4.427 4.529 . 0 0 "[ . 1 . 2]" 1
1128 1 56 LEU HB3 1 57 VAL MG1 . . 5.160 4.018 3.741 4.265 . 0 0 "[ . 1 . 2]" 1
1129 1 57 VAL H 1 57 VAL MG1 . . 3.750 3.016 2.702 3.295 . 0 0 "[ . 1 . 2]" 1
1130 1 57 VAL H 1 57 VAL MG2 . . 3.130 2.191 2.079 2.270 . 0 0 "[ . 1 . 2]" 1
1131 1 57 VAL H 1 58 GLU H . . 4.800 4.482 4.422 4.567 . 0 0 "[ . 1 . 2]" 1
1132 1 57 VAL HA 1 57 VAL MG1 . . 3.340 2.345 2.270 2.431 . 0 0 "[ . 1 . 2]" 1
1133 1 57 VAL HA 1 58 GLU H . . 3.190 2.388 2.246 2.523 . 0 0 "[ . 1 . 2]" 1
1134 1 57 VAL HA 1 58 GLU HG2 . . 4.740 4.154 3.719 4.774 0.034 9 0 "[ . 1 . 2]" 1
1135 1 57 VAL HB 1 58 GLU H . . 3.290 2.482 2.283 2.736 . 0 0 "[ . 1 . 2]" 1
1136 1 57 VAL MG1 1 58 GLU H . . 3.970 3.654 3.285 4.027 0.057 13 0 "[ . 1 . 2]" 1
1137 1 57 VAL MG2 1 58 GLU H . . 3.920 3.594 3.237 3.985 0.065 8 0 "[ . 1 . 2]" 1
1138 1 57 VAL MG2 1 58 GLU HA . . 4.260 4.002 3.635 4.349 0.089 8 0 "[ . 1 . 2]" 1
1139 1 58 GLU H 1 58 GLU HG2 . . 3.920 2.528 2.258 3.008 . 0 0 "[ . 1 . 2]" 1
1140 1 58 GLU H 1 58 GLU HG3 . . 3.790 2.904 2.228 3.255 . 0 0 "[ . 1 . 2]" 1
1141 1 58 GLU HA 1 58 GLU HB2 . . 3.020 2.418 2.331 2.503 . 0 0 "[ . 1 . 2]" 1
1142 1 58 GLU HA 1 59 GLU H . . 2.840 2.181 2.044 2.303 . 0 0 "[ . 1 . 2]" 1
1143 1 58 GLU HA 1 59 GLU HA . . 4.250 4.306 4.230 4.332 0.082 2 0 "[ . 1 . 2]" 1
1144 1 58 GLU HA 1 59 GLU QB . . 4.530 4.104 3.570 4.405 . 0 0 "[ . 1 . 2]" 1
1145 1 58 GLU HA 1 59 GLU HG2 . . 5.500 5.083 4.160 5.536 0.036 10 0 "[ . 1 . 2]" 1
1146 1 58 GLU HA 1 59 GLU HG3 . . 5.400 4.819 3.832 5.496 0.096 8 0 "[ . 1 . 2]" 1
1147 1 58 GLU HB2 1 59 GLU H . . 2.990 2.723 2.521 2.922 . 0 0 "[ . 1 . 2]" 1
1148 1 58 GLU HB3 1 59 GLU H . . 4.130 3.928 3.797 4.056 . 0 0 "[ . 1 . 2]" 1
1149 1 58 GLU HG2 1 59 GLU H . . 4.950 4.954 4.787 5.031 0.081 1 0 "[ . 1 . 2]" 1
1150 1 58 GLU HG3 1 59 GLU H . . 5.230 4.008 3.853 4.181 . 0 0 "[ . 1 . 2]" 1
1151 1 58 GLU HG3 1 60 VAL H . . 4.130 3.376 2.553 4.213 0.083 20 0 "[ . 1 . 2]" 1
1152 1 59 GLU H 1 59 GLU QB . . 3.240 2.225 1.759 2.780 . 0 0 "[ . 1 . 2]" 1
1153 1 59 GLU H 1 59 GLU HG2 . . 3.550 3.437 2.396 3.828 0.278 18 0 "[ . 1 . 2]" 1
1154 1 59 GLU H 1 59 GLU HG3 . . 3.760 3.080 1.845 3.828 0.068 8 0 "[ . 1 . 2]" 1
1155 1 59 GLU H 1 60 VAL H . . 4.500 3.930 3.330 4.460 . 0 0 "[ . 1 . 2]" 1
1156 1 59 GLU HA 1 59 GLU HG2 . . 4.020 2.726 2.093 4.102 0.082 19 0 "[ . 1 . 2]" 1
1157 1 59 GLU HA 1 59 GLU HG3 . . 3.790 3.417 3.055 3.641 . 0 0 "[ . 1 . 2]" 1
1158 1 59 GLU HA 1 60 VAL H . . 2.860 2.362 2.065 2.718 . 0 0 "[ . 1 . 2]" 1
1159 1 59 GLU HA 1 60 VAL HB . . 4.740 4.726 4.352 4.831 0.091 4 0 "[ . 1 . 2]" 1
1160 1 59 GLU HA 1 60 VAL QG . . 4.080 3.869 3.525 4.078 . 0 0 "[ . 1 . 2]" 1
1161 1 60 VAL H 1 60 VAL HB . . 3.210 2.526 2.111 3.203 . 0 0 "[ . 1 . 2]" 1
1162 1 60 VAL H 1 60 VAL QG . . 3.380 2.272 1.920 2.523 . 0 0 "[ . 1 . 2]" 1
1163 1 60 VAL HA 1 60 VAL QG . . 3.240 2.238 2.063 2.423 . 0 0 "[ . 1 . 2]" 1
1164 1 60 VAL HA 1 61 GLY H . . 2.870 2.240 1.963 2.467 . 0 0 "[ . 1 . 2]" 1
1165 1 60 VAL HB 1 61 GLY H . . 3.980 4.005 3.456 4.073 0.093 3 0 "[ . 1 . 2]" 1
1166 1 60 VAL QG 1 61 GLY H . . 3.960 2.313 1.934 2.942 . 0 0 "[ . 1 . 2]" 1
1167 1 60 VAL QG 1 61 GLY HA2 . . 5.010 3.709 3.302 4.125 . 0 0 "[ . 1 . 2]" 1
1168 1 60 VAL QG 1 61 GLY HA3 . . 4.910 3.897 3.481 4.267 . 0 0 "[ . 1 . 2]" 1
1169 1 60 VAL QG 1 62 ARG H . . 5.060 2.186 1.660 3.647 . 0 0 "[ . 1 . 2]" 1
1170 1 60 VAL QG 1 62 ARG QD . . 4.220 2.293 1.846 3.348 . 0 0 "[ . 1 . 2]" 1
1171 1 60 VAL QG 1 62 ARG HE . . 4.900 3.234 1.710 3.987 . 0 0 "[ . 1 . 2]" 1
1172 1 61 GLY H 1 62 ARG H . . 3.830 2.645 2.053 3.531 . 0 0 "[ . 1 . 2]" 1
1173 1 61 GLY H 1 62 ARG QB . . 4.900 4.251 3.584 4.723 . 0 0 "[ . 1 . 2]" 1
1174 1 61 GLY HA2 1 62 ARG H . . 3.410 3.196 2.524 3.494 0.084 16 0 "[ . 1 . 2]" 1
1175 1 61 GLY HA3 1 62 ARG H . . 3.320 3.124 2.197 3.498 0.178 8 0 "[ . 1 . 2]" 1
1176 1 62 ARG H 1 62 ARG QB . . 3.420 2.519 2.281 3.280 . 0 0 "[ . 1 . 2]" 1
1177 1 62 ARG H 1 62 ARG QD . . 5.320 3.835 2.650 5.025 . 0 0 "[ . 1 . 2]" 1
1178 1 62 ARG H 1 62 ARG HE . . 5.080 4.868 3.214 5.167 0.087 16 0 "[ . 1 . 2]" 1
1179 1 62 ARG H 1 62 ARG QG . . 3.690 2.867 2.093 3.785 0.095 13 0 "[ . 1 . 2]" 1
1180 1 62 ARG HA 1 62 ARG QD . . 4.180 4.091 3.415 4.292 0.112 16 0 "[ . 1 . 2]" 1
1181 1 62 ARG HA 1 62 ARG QG . . 3.970 2.681 2.067 3.485 . 0 0 "[ . 1 . 2]" 1
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