Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
601015 | 2n5j RC | 25718 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n5j
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 910
_Distance_constraint_stats_list.Viol_count 541
_Distance_constraint_stats_list.Viol_total 57.739
_Distance_constraint_stats_list.Viol_max 0.060
_Distance_constraint_stats_list.Viol_rms 0.0015
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0053
_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 4 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 THR 0.009 0.005 7 0 "[ . 1 . 2]"
1 6 SER 0.028 0.015 19 0 "[ . 1 . 2]"
1 7 GLU 0.022 0.010 3 0 "[ . 1 . 2]"
1 8 LEU 0.076 0.015 19 0 "[ . 1 . 2]"
1 9 GLN 0.038 0.012 19 0 "[ . 1 . 2]"
1 10 MET 0.013 0.006 19 0 "[ . 1 . 2]"
1 11 LYS 0.035 0.004 15 0 "[ . 1 . 2]"
1 12 VAL 0.050 0.006 17 0 "[ . 1 . 2]"
1 13 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 PHE 0.561 0.016 12 0 "[ . 1 . 2]"
1 15 PHE 0.084 0.008 11 0 "[ . 1 . 2]"
1 16 ARG 0.221 0.019 18 0 "[ . 1 . 2]"
1 17 LYS 0.628 0.029 16 0 "[ . 1 . 2]"
1 18 LEU 0.592 0.029 16 0 "[ . 1 . 2]"
1 19 GLY 0.001 0.001 5 0 "[ . 1 . 2]"
1 20 TYR 0.163 0.012 20 0 "[ . 1 . 2]"
1 21 SER 0.053 0.009 10 0 "[ . 1 . 2]"
1 22 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 SER 0.040 0.006 16 0 "[ . 1 . 2]"
1 24 GLU 0.267 0.013 14 0 "[ . 1 . 2]"
1 25 ILE 0.235 0.060 20 0 "[ . 1 . 2]"
1 26 HIS 0.081 0.031 16 0 "[ . 1 . 2]"
1 27 SER 0.014 0.005 7 0 "[ . 1 . 2]"
1 28 VAL 0.054 0.007 11 0 "[ . 1 . 2]"
1 29 LEU 0.102 0.008 18 0 "[ . 1 . 2]"
1 30 GLN 0.104 0.012 8 0 "[ . 1 . 2]"
1 31 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 LEU 0.127 0.016 17 0 "[ . 1 . 2]"
1 33 GLY 0.003 0.003 7 0 "[ . 1 . 2]"
1 34 VAL 0.082 0.016 17 0 "[ . 1 . 2]"
1 35 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ALA 0.536 0.032 5 0 "[ . 1 . 2]"
1 37 ASP 0.530 0.032 5 0 "[ . 1 . 2]"
1 38 THR 0.022 0.018 12 0 "[ . 1 . 2]"
1 39 ASN 0.005 0.005 12 0 "[ . 1 . 2]"
1 40 THR 0.042 0.006 18 0 "[ . 1 . 2]"
1 41 VAL 0.096 0.008 12 0 "[ . 1 . 2]"
1 42 LEU 0.086 0.008 11 0 "[ . 1 . 2]"
1 43 GLY 0.052 0.007 19 0 "[ . 1 . 2]"
1 44 GLU 0.057 0.007 19 0 "[ . 1 . 2]"
1 45 LEU 0.287 0.013 14 0 "[ . 1 . 2]"
1 46 VAL 0.090 0.027 19 0 "[ . 1 . 2]"
1 47 LYS 0.068 0.027 19 0 "[ . 1 . 2]"
1 48 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 MET QB 1 5 THR H . . 4.830 2.886 1.949 3.988 . 0 0 "[ . 1 . 2]" 1
2 1 5 THR H 1 5 THR MG . . 4.500 3.388 1.920 4.008 . 0 0 "[ . 1 . 2]" 1
3 1 5 THR H 1 6 SER H . . 5.500 4.145 2.026 4.598 . 0 0 "[ . 1 . 2]" 1
4 1 5 THR HA 1 5 THR MG . . 3.260 2.608 2.228 3.206 . 0 0 "[ . 1 . 2]" 1
5 1 5 THR HA 1 10 MET ME . . 4.950 4.867 4.705 4.949 . 0 0 "[ . 1 . 2]" 1
6 1 5 THR HB 1 6 SER H . . 4.770 4.120 3.747 4.449 . 0 0 "[ . 1 . 2]" 1
7 1 5 THR HB 1 10 MET ME . . 5.150 3.686 2.331 5.076 . 0 0 "[ . 1 . 2]" 1
8 1 5 THR MG 1 7 GLU H . . 5.500 4.423 3.187 5.330 . 0 0 "[ . 1 . 2]" 1
9 1 5 THR MG 1 8 LEU H . . 5.500 5.468 5.365 5.505 0.005 7 0 "[ . 1 . 2]" 1
10 1 5 THR MG 1 10 MET H . . 4.910 3.602 2.741 4.837 . 0 0 "[ . 1 . 2]" 1
11 1 5 THR MG 1 10 MET QG . . 5.340 3.584 2.448 4.844 . 0 0 "[ . 1 . 2]" 1
12 1 6 SER HA 1 7 GLU H . . 3.270 2.223 2.142 2.343 . 0 0 "[ . 1 . 2]" 1
13 1 6 SER HA 1 7 GLU HA . . 4.680 4.393 4.297 4.565 . 0 0 "[ . 1 . 2]" 1
14 1 6 SER HA 1 8 LEU H . . 3.960 3.844 3.574 3.975 0.015 19 0 "[ . 1 . 2]" 1
15 1 6 SER HA 1 9 GLN H . . 4.500 4.258 3.956 4.471 . 0 0 "[ . 1 . 2]" 1
16 1 6 SER HA 1 9 GLN QB . . 4.450 4.329 4.116 4.446 . 0 0 "[ . 1 . 2]" 1
17 1 6 SER QB 1 8 LEU HB2 . . 5.340 4.834 4.515 5.335 . 0 0 "[ . 1 . 2]" 1
18 1 6 SER QB 1 8 LEU MD1 . . 4.230 2.614 2.379 3.085 . 0 0 "[ . 1 . 2]" 1
19 1 6 SER QB 1 8 LEU MD2 . . 4.630 3.218 2.412 3.809 . 0 0 "[ . 1 . 2]" 1
20 1 6 SER QB 1 8 LEU HG . . 4.380 2.326 1.948 2.947 . 0 0 "[ . 1 . 2]" 1
21 1 6 SER QB 1 9 GLN H . . 3.830 2.391 1.963 3.129 . 0 0 "[ . 1 . 2]" 1
22 1 6 SER QB 1 9 GLN QB . . 5.100 2.250 1.909 3.538 . 0 0 "[ . 1 . 2]" 1
23 1 6 SER QB 1 9 GLN QG . . 4.370 2.712 2.005 3.739 . 0 0 "[ . 1 . 2]" 1
24 1 7 GLU H 1 7 GLU HB2 . . 3.880 2.639 2.188 3.601 . 0 0 "[ . 1 . 2]" 1
25 1 7 GLU H 1 7 GLU HB3 . . 3.880 3.188 2.510 3.592 . 0 0 "[ . 1 . 2]" 1
26 1 7 GLU H 1 7 GLU QG . . 4.070 2.745 1.932 4.063 . 0 0 "[ . 1 . 2]" 1
27 1 7 GLU H 1 8 LEU H . . 3.670 2.771 2.623 2.851 . 0 0 "[ . 1 . 2]" 1
28 1 7 GLU H 1 8 LEU MD2 . . 5.500 4.449 3.664 4.631 . 0 0 "[ . 1 . 2]" 1
29 1 7 GLU HA 1 7 GLU QG . . 3.340 2.630 2.138 3.350 0.010 3 0 "[ . 1 . 2]" 1
30 1 7 GLU HA 1 10 MET H . . 3.510 3.398 3.185 3.516 0.006 19 0 "[ . 1 . 2]" 1
31 1 7 GLU HA 1 10 MET HB2 . . 3.580 3.307 3.088 3.534 . 0 0 "[ . 1 . 2]" 1
32 1 7 GLU HA 1 10 MET HB3 . . 3.370 2.913 2.541 3.101 . 0 0 "[ . 1 . 2]" 1
33 1 7 GLU HA 1 10 MET ME . . 3.520 2.976 2.614 3.323 . 0 0 "[ . 1 . 2]" 1
34 1 7 GLU HA 1 10 MET HG2 . . 5.500 5.213 4.459 5.460 . 0 0 "[ . 1 . 2]" 1
35 1 7 GLU HA 1 10 MET HG3 . . 5.500 5.435 5.282 5.499 . 0 0 "[ . 1 . 2]" 1
36 1 7 GLU HA 1 11 LYS H . . 4.390 4.188 3.879 4.391 0.001 19 0 "[ . 1 . 2]" 1
37 1 7 GLU QB 1 8 LEU HA . . 4.450 4.009 3.854 4.439 . 0 0 "[ . 1 . 2]" 1
38 1 8 LEU H 1 8 LEU HA . . 2.900 2.829 2.768 2.889 . 0 0 "[ . 1 . 2]" 1
39 1 8 LEU H 1 8 LEU HB2 . . 3.750 3.596 3.584 3.620 . 0 0 "[ . 1 . 2]" 1
40 1 8 LEU H 1 8 LEU HB3 . . 2.980 2.679 2.607 2.777 . 0 0 "[ . 1 . 2]" 1
41 1 8 LEU H 1 8 LEU MD2 . . 3.810 2.985 2.224 3.094 . 0 0 "[ . 1 . 2]" 1
42 1 8 LEU H 1 8 LEU HG . . 3.160 1.987 1.948 2.102 . 0 0 "[ . 1 . 2]" 1
43 1 8 LEU H 1 9 GLN H . . 3.000 2.575 2.361 2.755 . 0 0 "[ . 1 . 2]" 1
44 1 8 LEU HA 1 8 LEU MD1 . . 4.740 3.674 3.640 3.946 . 0 0 "[ . 1 . 2]" 1
45 1 8 LEU HA 1 8 LEU HG . . 3.710 3.646 3.622 3.654 . 0 0 "[ . 1 . 2]" 1
46 1 8 LEU HA 1 10 MET H . . 5.030 4.463 4.121 4.955 . 0 0 "[ . 1 . 2]" 1
47 1 8 LEU HA 1 11 LYS H . . 4.120 3.661 3.558 3.787 . 0 0 "[ . 1 . 2]" 1
48 1 8 LEU HA 1 11 LYS HB2 . . 3.880 2.927 2.742 3.054 . 0 0 "[ . 1 . 2]" 1
49 1 8 LEU HA 1 11 LYS HB3 . . 4.630 4.460 4.204 4.630 0.000 7 0 "[ . 1 . 2]" 1
50 1 8 LEU HA 1 11 LYS QD . . 4.280 3.553 2.886 4.283 0.003 11 0 "[ . 1 . 2]" 1
51 1 8 LEU HA 1 11 LYS QG . . 4.130 3.402 2.446 3.924 . 0 0 "[ . 1 . 2]" 1
52 1 8 LEU HB2 1 8 LEU MD2 . . 3.570 2.679 2.623 2.962 . 0 0 "[ . 1 . 2]" 1
53 1 8 LEU HB2 1 9 GLN H . . 3.770 3.746 3.618 3.782 0.012 19 0 "[ . 1 . 2]" 1
54 1 8 LEU HB2 1 9 GLN HA . . 4.560 4.418 4.322 4.460 . 0 0 "[ . 1 . 2]" 1
55 1 8 LEU HB2 1 9 GLN QE . . 5.340 5.039 4.878 5.338 . 0 0 "[ . 1 . 2]" 1
56 1 8 LEU HB2 1 9 GLN QG . . 5.440 4.466 4.353 4.514 . 0 0 "[ . 1 . 2]" 1
57 1 8 LEU HB3 1 8 LEU MD1 . . 3.580 3.109 2.925 3.127 . 0 0 "[ . 1 . 2]" 1
58 1 8 LEU HB3 1 8 LEU HG . . 2.880 2.684 2.661 2.867 . 0 0 "[ . 1 . 2]" 1
59 1 8 LEU HB3 1 9 GLN H . . 4.100 4.046 4.011 4.080 . 0 0 "[ . 1 . 2]" 1
60 1 8 LEU MD1 1 9 GLN H . . 4.100 2.593 2.482 3.125 . 0 0 "[ . 1 . 2]" 1
61 1 8 LEU MD1 1 9 GLN HA . . 3.930 2.807 2.706 3.570 . 0 0 "[ . 1 . 2]" 1
62 1 8 LEU MD1 1 9 GLN HE21 . . 4.510 3.019 2.813 4.443 . 0 0 "[ . 1 . 2]" 1
63 1 8 LEU MD1 1 9 GLN QE . . 3.860 2.942 2.775 3.751 . 0 0 "[ . 1 . 2]" 1
64 1 8 LEU MD1 1 9 GLN HE22 . . 4.510 4.333 4.042 4.480 . 0 0 "[ . 1 . 2]" 1
65 1 8 LEU MD1 1 9 GLN QG . . 4.650 1.902 1.858 2.293 . 0 0 "[ . 1 . 2]" 1
66 1 8 LEU MD1 1 10 MET H . . 5.080 4.527 4.444 5.080 0.000 12 0 "[ . 1 . 2]" 1
67 1 8 LEU HG 1 9 GLN H . . 3.700 2.302 1.978 2.410 . 0 0 "[ . 1 . 2]" 1
68 1 8 LEU HG 1 9 GLN HA . . 4.630 4.520 4.180 4.620 . 0 0 "[ . 1 . 2]" 1
69 1 8 LEU HG 1 9 GLN QE . . 5.340 5.306 5.165 5.340 . 0 0 "[ . 1 . 2]" 1
70 1 8 LEU HG 1 10 MET H . . 5.010 4.658 4.329 4.877 . 0 0 "[ . 1 . 2]" 1
71 1 9 GLN H 1 9 GLN QB . . 2.720 2.161 2.141 2.359 . 0 0 "[ . 1 . 2]" 1
72 1 9 GLN H 1 9 GLN QG . . 3.550 2.952 2.477 3.030 . 0 0 "[ . 1 . 2]" 1
73 1 9 GLN H 1 10 MET H . . 3.300 2.477 2.379 2.646 . 0 0 "[ . 1 . 2]" 1
74 1 9 GLN H 1 10 MET HA . . 5.280 5.110 5.025 5.234 . 0 0 "[ . 1 . 2]" 1
75 1 9 GLN HA 1 9 GLN QE . . 4.270 2.401 2.206 2.715 . 0 0 "[ . 1 . 2]" 1
76 1 9 GLN HA 1 9 GLN QG . . 3.440 2.450 2.368 3.006 . 0 0 "[ . 1 . 2]" 1
77 1 9 GLN HA 1 11 LYS H . . 4.540 4.210 3.983 4.320 . 0 0 "[ . 1 . 2]" 1
78 1 9 GLN HA 1 12 VAL H . . 3.840 3.688 3.622 3.775 . 0 0 "[ . 1 . 2]" 1
79 1 9 GLN HA 1 12 VAL HB . . 3.860 3.795 3.685 3.861 0.001 6 0 "[ . 1 . 2]" 1
80 1 9 GLN HA 1 12 VAL MG2 . . 3.660 3.488 3.275 3.661 0.001 1 0 "[ . 1 . 2]" 1
81 1 9 GLN HA 1 13 ASP H . . 4.470 4.124 3.918 4.394 . 0 0 "[ . 1 . 2]" 1
82 1 9 GLN QB 1 9 GLN HE22 . . 4.830 4.009 3.577 4.090 . 0 0 "[ . 1 . 2]" 1
83 1 9 GLN QB 1 10 MET H . . 3.020 2.734 2.431 2.931 . 0 0 "[ . 1 . 2]" 1
84 1 9 GLN QB 1 10 MET HA . . 4.780 3.852 3.739 3.966 . 0 0 "[ . 1 . 2]" 1
85 1 9 GLN QE 1 12 VAL HB . . 4.360 4.081 3.811 4.308 . 0 0 "[ . 1 . 2]" 1
86 1 9 GLN QE 1 12 VAL MG1 . . 5.260 4.494 4.189 4.658 . 0 0 "[ . 1 . 2]" 1
87 1 9 GLN QE 1 12 VAL MG2 . . 5.230 3.865 3.468 4.065 . 0 0 "[ . 1 . 2]" 1
88 1 9 GLN HE21 1 12 VAL HB . . 5.020 4.555 4.236 4.868 . 0 0 "[ . 1 . 2]" 1
89 1 9 GLN HE22 1 12 VAL HB . . 5.020 4.612 4.309 4.805 . 0 0 "[ . 1 . 2]" 1
90 1 9 GLN QG 1 10 MET H . . 4.550 4.382 4.228 4.490 . 0 0 "[ . 1 . 2]" 1
91 1 10 MET H 1 10 MET HB2 . . 3.140 2.386 2.302 2.597 . 0 0 "[ . 1 . 2]" 1
92 1 10 MET H 1 10 MET HB3 . . 2.760 2.684 2.480 2.760 0.000 14 0 "[ . 1 . 2]" 1
93 1 10 MET H 1 10 MET HG2 . . 4.730 4.523 4.468 4.597 . 0 0 "[ . 1 . 2]" 1
94 1 10 MET H 1 10 MET QG . . 4.150 3.943 3.910 3.980 . 0 0 "[ . 1 . 2]" 1
95 1 10 MET H 1 10 MET HG3 . . 4.730 4.343 4.278 4.433 . 0 0 "[ . 1 . 2]" 1
96 1 10 MET H 1 11 LYS H . . 2.980 2.596 2.456 2.740 . 0 0 "[ . 1 . 2]" 1
97 1 10 MET H 1 11 LYS HA . . 5.430 5.184 5.072 5.292 . 0 0 "[ . 1 . 2]" 1
98 1 10 MET H 1 11 LYS QG . . 5.320 4.875 4.570 5.166 . 0 0 "[ . 1 . 2]" 1
99 1 10 MET HA 1 10 MET HG2 . . 3.550 2.975 2.698 3.503 . 0 0 "[ . 1 . 2]" 1
100 1 10 MET HA 1 10 MET QG . . 3.080 2.359 2.244 2.443 . 0 0 "[ . 1 . 2]" 1
101 1 10 MET HA 1 10 MET HG3 . . 3.550 2.498 2.282 2.764 . 0 0 "[ . 1 . 2]" 1
102 1 10 MET HA 1 11 LYS HA . . 4.990 4.867 4.851 4.876 . 0 0 "[ . 1 . 2]" 1
103 1 10 MET HA 1 12 VAL H . . 4.700 4.181 3.930 4.314 . 0 0 "[ . 1 . 2]" 1
104 1 10 MET HA 1 13 ASP H . . 3.640 3.401 3.292 3.485 . 0 0 "[ . 1 . 2]" 1
105 1 10 MET HA 1 13 ASP HB2 . . 3.480 3.247 3.005 3.456 . 0 0 "[ . 1 . 2]" 1
106 1 10 MET HA 1 13 ASP HB3 . . 3.610 2.406 2.230 2.743 . 0 0 "[ . 1 . 2]" 1
107 1 10 MET HA 1 14 PHE H . . 4.280 3.627 3.446 3.890 . 0 0 "[ . 1 . 2]" 1
108 1 10 MET HB2 1 10 MET ME . . 2.400 2.118 1.984 2.319 . 0 0 "[ . 1 . 2]" 1
109 1 10 MET HB3 1 10 MET ME . . 2.900 2.702 2.223 2.901 0.001 17 0 "[ . 1 . 2]" 1
110 1 10 MET HB3 1 11 LYS H . . 3.220 2.766 2.674 2.903 . 0 0 "[ . 1 . 2]" 1
111 1 10 MET QG 1 11 LYS HA . . 5.340 4.142 3.818 4.317 . 0 0 "[ . 1 . 2]" 1
112 1 10 MET QG 1 13 ASP HB3 . . 3.690 3.570 3.412 3.689 . 0 0 "[ . 1 . 2]" 1
113 1 10 MET HG2 1 11 LYS H . . 5.230 4.238 4.034 4.375 . 0 0 "[ . 1 . 2]" 1
114 1 10 MET HG2 1 14 PHE HA . . 5.500 4.741 4.359 5.409 . 0 0 "[ . 1 . 2]" 1
115 1 10 MET HG3 1 11 LYS H . . 5.230 4.954 4.494 5.195 . 0 0 "[ . 1 . 2]" 1
116 1 10 MET HG3 1 14 PHE HA . . 5.500 5.113 4.360 5.500 . 0 0 "[ . 1 . 2]" 1
117 1 11 LYS H 1 11 LYS HB2 . . 2.910 2.173 2.114 2.328 . 0 0 "[ . 1 . 2]" 1
118 1 11 LYS H 1 11 LYS HB3 . . 3.560 3.487 3.438 3.562 0.002 1 0 "[ . 1 . 2]" 1
119 1 11 LYS H 1 11 LYS HG2 . . 4.110 3.726 2.591 4.025 . 0 0 "[ . 1 . 2]" 1
120 1 11 LYS H 1 11 LYS HG3 . . 4.110 3.002 2.840 3.410 . 0 0 "[ . 1 . 2]" 1
121 1 11 LYS H 1 12 VAL H . . 2.960 2.794 2.714 2.843 . 0 0 "[ . 1 . 2]" 1
122 1 11 LYS HA 1 11 LYS QD . . 4.240 3.815 3.232 3.998 . 0 0 "[ . 1 . 2]" 1
123 1 11 LYS HA 1 11 LYS HG2 . . 4.250 2.239 2.122 2.504 . 0 0 "[ . 1 . 2]" 1
124 1 11 LYS HA 1 11 LYS QG . . 3.710 2.173 2.083 2.465 . 0 0 "[ . 1 . 2]" 1
125 1 11 LYS HA 1 11 LYS HG3 . . 4.250 2.994 2.698 3.679 . 0 0 "[ . 1 . 2]" 1
126 1 11 LYS HA 1 14 PHE H . . 5.500 4.112 4.005 4.201 . 0 0 "[ . 1 . 2]" 1
127 1 11 LYS HA 1 14 PHE QB . . 3.650 3.265 3.080 3.359 . 0 0 "[ . 1 . 2]" 1
128 1 11 LYS HA 1 14 PHE QD . . 5.030 4.923 3.978 5.033 0.003 15 0 "[ . 1 . 2]" 1
129 1 11 LYS HB2 1 12 VAL H . . 3.190 2.855 2.703 3.039 . 0 0 "[ . 1 . 2]" 1
130 1 11 LYS HB3 1 12 VAL H . . 4.580 3.224 3.071 3.468 . 0 0 "[ . 1 . 2]" 1
131 1 11 LYS HB3 1 29 LEU HB3 . . 5.500 5.430 5.155 5.504 0.004 15 0 "[ . 1 . 2]" 1
132 1 11 LYS QD 1 12 VAL H . . 5.500 4.954 4.731 5.242 . 0 0 "[ . 1 . 2]" 1
133 1 11 LYS QD 1 29 LEU MD2 . . 4.210 3.745 3.498 3.968 . 0 0 "[ . 1 . 2]" 1
134 1 11 LYS QD 1 41 VAL MG2 . . 4.400 3.714 3.214 4.190 . 0 0 "[ . 1 . 2]" 1
135 1 11 LYS QE 1 41 VAL MG2 . . 5.260 4.162 1.977 5.180 . 0 0 "[ . 1 . 2]" 1
136 1 11 LYS QG 1 12 VAL H . . 4.680 4.371 4.229 4.454 . 0 0 "[ . 1 . 2]" 1
137 1 11 LYS HG2 1 12 VAL H . . 5.500 4.963 4.629 5.042 . 0 0 "[ . 1 . 2]" 1
138 1 11 LYS HG3 1 12 VAL H . . 5.500 4.857 4.764 4.969 . 0 0 "[ . 1 . 2]" 1
139 1 12 VAL H 1 12 VAL HB . . 2.890 2.589 2.500 2.619 . 0 0 "[ . 1 . 2]" 1
140 1 12 VAL H 1 12 VAL MG1 . . 3.810 3.793 3.775 3.800 . 0 0 "[ . 1 . 2]" 1
141 1 12 VAL H 1 12 VAL MG2 . . 2.860 2.272 2.064 2.457 . 0 0 "[ . 1 . 2]" 1
142 1 12 VAL H 1 14 PHE QB . . 5.500 4.636 4.471 4.718 . 0 0 "[ . 1 . 2]" 1
143 1 12 VAL H 1 15 PHE H . . 5.500 5.392 5.234 5.446 . 0 0 "[ . 1 . 2]" 1
144 1 12 VAL HA 1 12 VAL MG1 . . 3.420 2.307 2.288 2.345 . 0 0 "[ . 1 . 2]" 1
145 1 12 VAL HA 1 12 VAL MG2 . . 3.250 2.399 2.318 2.471 . 0 0 "[ . 1 . 2]" 1
146 1 12 VAL HA 1 14 PHE H . . 4.570 3.950 3.913 4.017 . 0 0 "[ . 1 . 2]" 1
147 1 12 VAL HA 1 15 PHE H . . 4.480 3.873 3.792 3.911 . 0 0 "[ . 1 . 2]" 1
148 1 12 VAL HA 1 15 PHE HB2 . . 4.330 3.562 3.506 3.655 . 0 0 "[ . 1 . 2]" 1
149 1 12 VAL HA 1 15 PHE HB3 . . 5.400 5.188 5.110 5.291 . 0 0 "[ . 1 . 2]" 1
150 1 12 VAL HA 1 15 PHE QD . . 4.350 4.028 3.870 4.304 . 0 0 "[ . 1 . 2]" 1
151 1 12 VAL HA 1 16 ARG H . . 4.580 4.199 4.156 4.265 . 0 0 "[ . 1 . 2]" 1
152 1 12 VAL HA 1 25 ILE MD . . 5.270 3.610 3.477 4.559 . 0 0 "[ . 1 . 2]" 1
153 1 12 VAL HA 1 25 ILE MG . . 2.980 1.910 1.892 2.093 . 0 0 "[ . 1 . 2]" 1
154 1 12 VAL HA 1 29 LEU MD2 . . 4.530 3.972 3.485 4.213 . 0 0 "[ . 1 . 2]" 1
155 1 12 VAL HA 1 29 LEU HG . . 4.180 3.902 3.626 4.077 . 0 0 "[ . 1 . 2]" 1
156 1 12 VAL HB 1 13 ASP H . . 3.000 2.386 2.269 2.463 . 0 0 "[ . 1 . 2]" 1
157 1 12 VAL MG1 1 13 ASP H . . 3.740 3.475 3.210 3.534 . 0 0 "[ . 1 . 2]" 1
158 1 12 VAL MG1 1 16 ARG H . . 4.390 3.908 3.834 4.011 . 0 0 "[ . 1 . 2]" 1
159 1 12 VAL MG1 1 16 ARG HD2 . . 4.550 4.029 3.920 4.204 . 0 0 "[ . 1 . 2]" 1
160 1 12 VAL MG1 1 16 ARG QD . . 4.000 2.910 2.749 3.378 . 0 0 "[ . 1 . 2]" 1
161 1 12 VAL MG1 1 16 ARG HD3 . . 4.550 2.994 2.807 3.656 . 0 0 "[ . 1 . 2]" 1
162 1 12 VAL MG1 1 25 ILE MG . . 2.800 1.865 1.781 1.959 . 0 0 "[ . 1 . 2]" 1
163 1 12 VAL MG1 1 26 HIS HA . . 4.460 2.987 2.826 3.214 . 0 0 "[ . 1 . 2]" 1
164 1 12 VAL MG1 1 29 LEU HB2 . . 4.580 4.227 4.119 4.298 . 0 0 "[ . 1 . 2]" 1
165 1 12 VAL MG1 1 29 LEU HB3 . . 5.090 5.068 4.846 5.096 0.006 17 0 "[ . 1 . 2]" 1
166 1 12 VAL MG1 1 29 LEU HG . . 4.090 4.037 3.961 4.090 0.000 6 0 "[ . 1 . 2]" 1
167 1 12 VAL MG2 1 13 ASP H . . 4.000 3.644 3.592 3.784 . 0 0 "[ . 1 . 2]" 1
168 1 12 VAL MG2 1 26 HIS HA . . 4.270 3.057 2.565 3.371 . 0 0 "[ . 1 . 2]" 1
169 1 12 VAL MG2 1 29 LEU HB2 . . 4.750 3.184 2.769 3.358 . 0 0 "[ . 1 . 2]" 1
170 1 12 VAL MG2 1 29 LEU HG . . 2.480 2.099 1.904 2.240 . 0 0 "[ . 1 . 2]" 1
171 1 13 ASP H 1 13 ASP HB2 . . 2.860 2.310 2.226 2.422 . 0 0 "[ . 1 . 2]" 1
172 1 13 ASP H 1 13 ASP HB3 . . 3.290 2.774 2.643 2.880 . 0 0 "[ . 1 . 2]" 1
173 1 13 ASP H 1 14 PHE H . . 3.070 2.761 2.750 2.769 . 0 0 "[ . 1 . 2]" 1
174 1 13 ASP H 1 14 PHE QB . . 4.760 4.505 4.481 4.511 . 0 0 "[ . 1 . 2]" 1
175 1 13 ASP H 1 15 PHE H . . 5.500 5.128 5.046 5.156 . 0 0 "[ . 1 . 2]" 1
176 1 13 ASP HA 1 15 PHE H . . 5.430 5.242 5.115 5.288 . 0 0 "[ . 1 . 2]" 1
177 1 13 ASP HA 1 16 ARG H . . 3.750 3.635 3.530 3.683 . 0 0 "[ . 1 . 2]" 1
178 1 13 ASP HA 1 16 ARG HB2 . . 3.510 2.167 2.027 2.214 . 0 0 "[ . 1 . 2]" 1
179 1 13 ASP HA 1 16 ARG HB3 . . 3.650 3.468 3.357 3.510 . 0 0 "[ . 1 . 2]" 1
180 1 13 ASP HA 1 16 ARG HD2 . . 5.290 5.016 4.455 5.118 . 0 0 "[ . 1 . 2]" 1
181 1 13 ASP HA 1 16 ARG QD . . 4.530 4.358 4.221 4.415 . 0 0 "[ . 1 . 2]" 1
182 1 13 ASP HA 1 16 ARG HD3 . . 5.290 4.818 4.686 5.228 . 0 0 "[ . 1 . 2]" 1
183 1 13 ASP HA 1 16 ARG HG2 . . 4.420 3.883 3.583 3.976 . 0 0 "[ . 1 . 2]" 1
184 1 13 ASP HA 1 16 ARG HG3 . . 3.930 2.460 2.357 2.516 . 0 0 "[ . 1 . 2]" 1
185 1 13 ASP HB2 1 14 PHE H . . 4.340 3.895 3.806 3.997 . 0 0 "[ . 1 . 2]" 1
186 1 13 ASP HB3 1 14 PHE H . . 4.230 2.887 2.869 2.920 . 0 0 "[ . 1 . 2]" 1
187 1 13 ASP HB3 1 14 PHE HA . . 5.500 4.114 4.036 4.220 . 0 0 "[ . 1 . 2]" 1
188 1 14 PHE H 1 14 PHE QB . . 3.090 2.245 2.191 2.251 . 0 0 "[ . 1 . 2]" 1
189 1 14 PHE H 1 14 PHE QD . . 4.460 4.180 4.120 4.187 . 0 0 "[ . 1 . 2]" 1
190 1 14 PHE H 1 15 PHE H . . 4.390 3.036 2.992 3.059 . 0 0 "[ . 1 . 2]" 1
191 1 14 PHE H 1 15 PHE HB2 . . 5.500 4.852 4.800 4.914 . 0 0 "[ . 1 . 2]" 1
192 1 14 PHE H 1 16 ARG HG2 . . 5.500 5.472 5.171 5.516 0.016 12 0 "[ . 1 . 2]" 1
193 1 14 PHE H 1 25 ILE MG . . 5.500 4.813 4.745 4.874 . 0 0 "[ . 1 . 2]" 1
194 1 14 PHE HA 1 14 PHE QD . . 3.850 2.886 2.137 3.097 . 0 0 "[ . 1 . 2]" 1
195 1 14 PHE HA 1 16 ARG H . . 4.520 4.102 4.081 4.121 . 0 0 "[ . 1 . 2]" 1
196 1 14 PHE HA 1 17 LYS H . . 4.350 3.862 3.837 3.888 . 0 0 "[ . 1 . 2]" 1
197 1 14 PHE HA 1 17 LYS QB . . 4.050 4.062 4.054 4.066 0.016 18 0 "[ . 1 . 2]" 1
198 1 14 PHE HA 1 17 LYS QD . . 4.090 2.304 2.139 2.595 . 0 0 "[ . 1 . 2]" 1
199 1 14 PHE HA 1 17 LYS QG . . 5.130 3.782 3.756 3.789 . 0 0 "[ . 1 . 2]" 1
200 1 14 PHE HA 1 18 LEU H . . 5.040 5.050 5.015 5.056 0.016 16 0 "[ . 1 . 2]" 1
201 1 14 PHE HA 1 18 LEU MD2 . . 4.330 3.828 3.712 3.981 . 0 0 "[ . 1 . 2]" 1
202 1 14 PHE QB 1 15 PHE H . . 3.470 1.958 1.930 2.044 . 0 0 "[ . 1 . 2]" 1
203 1 14 PHE QB 1 15 PHE HA . . 4.170 4.112 3.910 4.177 0.007 18 0 "[ . 1 . 2]" 1
204 1 14 PHE QB 1 15 PHE HB2 . . 4.200 3.999 3.933 4.066 . 0 0 "[ . 1 . 2]" 1
205 1 14 PHE QB 1 15 PHE HB3 . . 5.500 5.236 5.107 5.298 . 0 0 "[ . 1 . 2]" 1
206 1 14 PHE QB 1 17 LYS QE . . 5.500 4.618 3.356 5.512 0.012 16 0 "[ . 1 . 2]" 1
207 1 14 PHE QD 1 15 PHE H . . 4.330 2.505 2.314 3.262 . 0 0 "[ . 1 . 2]" 1
208 1 14 PHE QD 1 15 PHE HA . . 4.510 2.911 2.608 4.173 . 0 0 "[ . 1 . 2]" 1
209 1 14 PHE QD 1 18 LEU MD1 . . 4.950 4.851 4.481 4.954 0.004 18 0 "[ . 1 . 2]" 1
210 1 14 PHE QE 1 18 LEU MD2 . . 4.100 2.578 2.021 2.773 . 0 0 "[ . 1 . 2]" 1
211 1 15 PHE H 1 15 PHE HB2 . . 3.840 2.295 2.257 2.328 . 0 0 "[ . 1 . 2]" 1
212 1 15 PHE H 1 15 PHE HB3 . . 3.940 3.550 3.535 3.561 . 0 0 "[ . 1 . 2]" 1
213 1 15 PHE H 1 15 PHE QD . . 3.830 2.563 2.333 2.816 . 0 0 "[ . 1 . 2]" 1
214 1 15 PHE H 1 16 ARG H . . 3.100 2.700 2.633 2.723 . 0 0 "[ . 1 . 2]" 1
215 1 15 PHE H 1 16 ARG HB2 . . 4.950 4.712 4.652 4.736 . 0 0 "[ . 1 . 2]" 1
216 1 15 PHE H 1 16 ARG HG3 . . 5.500 5.477 5.409 5.506 0.006 20 0 "[ . 1 . 2]" 1
217 1 15 PHE H 1 18 LEU HB2 . . 5.500 4.895 4.850 4.949 . 0 0 "[ . 1 . 2]" 1
218 1 15 PHE H 1 25 ILE MD . . 4.650 3.741 3.574 4.439 . 0 0 "[ . 1 . 2]" 1
219 1 15 PHE H 1 25 ILE MG . . 4.080 3.766 3.702 3.826 . 0 0 "[ . 1 . 2]" 1
220 1 15 PHE HA 1 15 PHE QD . . 3.650 2.779 2.568 2.987 . 0 0 "[ . 1 . 2]" 1
221 1 15 PHE HA 1 17 LYS H . . 4.610 3.736 3.718 3.803 . 0 0 "[ . 1 . 2]" 1
222 1 15 PHE HA 1 18 LEU H . . 3.480 2.914 2.890 2.959 . 0 0 "[ . 1 . 2]" 1
223 1 15 PHE HA 1 18 LEU HB2 . . 3.800 2.168 2.132 2.207 . 0 0 "[ . 1 . 2]" 1
224 1 15 PHE HA 1 18 LEU HB3 . . 4.240 3.765 3.735 3.814 . 0 0 "[ . 1 . 2]" 1
225 1 15 PHE HA 1 18 LEU MD1 . . 4.860 4.257 4.205 4.358 . 0 0 "[ . 1 . 2]" 1
226 1 15 PHE HA 1 18 LEU MD2 . . 3.100 2.090 1.979 2.519 . 0 0 "[ . 1 . 2]" 1
227 1 15 PHE HA 1 18 LEU HG . . 4.260 2.921 2.828 3.068 . 0 0 "[ . 1 . 2]" 1
228 1 15 PHE HA 1 20 TYR H . . 5.130 5.010 4.913 5.133 0.003 4 0 "[ . 1 . 2]" 1
229 1 15 PHE HA 1 20 TYR HB2 . . 4.550 4.488 4.352 4.551 0.001 4 0 "[ . 1 . 2]" 1
230 1 15 PHE HA 1 20 TYR QD . . 3.750 3.364 3.202 3.498 . 0 0 "[ . 1 . 2]" 1
231 1 15 PHE HA 1 25 ILE MD . . 5.170 3.637 3.580 3.975 . 0 0 "[ . 1 . 2]" 1
232 1 15 PHE HB2 1 16 ARG H . . 3.700 3.077 3.044 3.138 . 0 0 "[ . 1 . 2]" 1
233 1 15 PHE HB2 1 16 ARG HB2 . . 5.500 5.220 5.190 5.277 . 0 0 "[ . 1 . 2]" 1
234 1 15 PHE HB2 1 16 ARG HG3 . . 5.500 5.379 5.329 5.488 . 0 0 "[ . 1 . 2]" 1
235 1 15 PHE HB2 1 17 LYS H . . 5.500 5.150 5.124 5.200 . 0 0 "[ . 1 . 2]" 1
236 1 15 PHE HB2 1 25 ILE HB . . 4.690 4.467 4.414 4.678 . 0 0 "[ . 1 . 2]" 1
237 1 15 PHE HB2 1 25 ILE MD . . 4.110 2.408 2.269 3.146 . 0 0 "[ . 1 . 2]" 1
238 1 15 PHE HB2 1 25 ILE HG12 . . 3.940 2.625 2.406 2.690 . 0 0 "[ . 1 . 2]" 1
239 1 15 PHE HB2 1 25 ILE HG13 . . 4.180 4.176 4.162 4.185 0.005 18 0 "[ . 1 . 2]" 1
240 1 15 PHE HB2 1 25 ILE MG . . 3.560 2.419 2.248 2.570 . 0 0 "[ . 1 . 2]" 1
241 1 15 PHE HB3 1 16 ARG H . . 3.870 3.735 3.671 3.813 . 0 0 "[ . 1 . 2]" 1
242 1 15 PHE HB3 1 16 ARG HA . . 4.500 4.295 4.239 4.338 . 0 0 "[ . 1 . 2]" 1
243 1 15 PHE HB3 1 17 LYS H . . 5.500 5.160 5.133 5.215 . 0 0 "[ . 1 . 2]" 1
244 1 15 PHE HB3 1 18 LEU H . . 5.500 4.669 4.637 4.737 . 0 0 "[ . 1 . 2]" 1
245 1 15 PHE HB3 1 20 TYR H . . 5.020 4.707 4.624 4.816 . 0 0 "[ . 1 . 2]" 1
246 1 15 PHE HB3 1 20 TYR QD . . 3.620 2.671 2.463 2.851 . 0 0 "[ . 1 . 2]" 1
247 1 15 PHE HB3 1 25 ILE HB . . 5.040 4.871 4.756 4.989 . 0 0 "[ . 1 . 2]" 1
248 1 15 PHE HB3 1 25 ILE MD . . 3.620 2.033 1.954 2.552 . 0 0 "[ . 1 . 2]" 1
249 1 15 PHE HB3 1 25 ILE HG12 . . 4.120 2.376 2.138 2.524 . 0 0 "[ . 1 . 2]" 1
250 1 15 PHE HB3 1 25 ILE HG13 . . 4.350 3.607 3.508 3.676 . 0 0 "[ . 1 . 2]" 1
251 1 15 PHE HB3 1 25 ILE MG . . 4.230 3.438 3.303 3.591 . 0 0 "[ . 1 . 2]" 1
252 1 15 PHE QD 1 16 ARG H . . 4.920 4.573 4.528 4.643 . 0 0 "[ . 1 . 2]" 1
253 1 15 PHE QD 1 18 LEU MD1 . . 5.290 4.453 4.205 4.721 . 0 0 "[ . 1 . 2]" 1
254 1 15 PHE QD 1 20 TYR QD . . 2.400 2.394 2.336 2.403 0.003 17 0 "[ . 1 . 2]" 1
255 1 15 PHE QD 1 25 ILE MG . . 3.790 3.404 3.189 3.588 . 0 0 "[ . 1 . 2]" 1
256 1 15 PHE QE 1 18 LEU HB2 . . 5.160 5.065 4.938 5.164 0.004 20 0 "[ . 1 . 2]" 1
257 1 15 PHE QE 1 18 LEU HB3 . . 5.500 5.155 4.997 5.310 . 0 0 "[ . 1 . 2]" 1
258 1 15 PHE QE 1 18 LEU MD1 . . 5.500 4.724 4.467 4.949 . 0 0 "[ . 1 . 2]" 1
259 1 15 PHE QE 1 20 TYR QE . . 3.600 3.209 3.100 3.276 . 0 0 "[ . 1 . 2]" 1
260 1 15 PHE QE 1 38 THR HA . . 5.500 4.104 3.618 4.684 . 0 0 "[ . 1 . 2]" 1
261 1 15 PHE QE 1 41 VAL HB . . 4.430 3.052 2.850 3.262 . 0 0 "[ . 1 . 2]" 1
262 1 15 PHE QE 1 41 VAL MG1 . . 4.940 2.422 2.221 2.691 . 0 0 "[ . 1 . 2]" 1
263 1 15 PHE QE 1 41 VAL MG2 . . 4.850 3.280 3.127 3.479 . 0 0 "[ . 1 . 2]" 1
264 1 15 PHE QE 1 42 LEU H . . 4.840 4.305 4.073 4.458 . 0 0 "[ . 1 . 2]" 1
265 1 15 PHE QE 1 42 LEU HA . . 4.370 3.492 2.937 3.885 . 0 0 "[ . 1 . 2]" 1
266 1 15 PHE QE 1 42 LEU HB2 . . 5.330 5.205 4.911 5.338 0.008 11 0 "[ . 1 . 2]" 1
267 1 15 PHE QE 1 42 LEU HB3 . . 5.010 4.474 4.070 4.678 . 0 0 "[ . 1 . 2]" 1
268 1 15 PHE QE 1 42 LEU MD2 . . 4.300 1.908 1.880 1.939 . 0 0 "[ . 1 . 2]" 1
269 1 15 PHE QE 1 42 LEU HG . . 4.560 3.368 3.055 3.565 . 0 0 "[ . 1 . 2]" 1
270 1 15 PHE QE 1 45 LEU MD1 . . 5.500 3.014 2.642 3.319 . 0 0 "[ . 1 . 2]" 1
271 1 15 PHE HZ 1 38 THR HA . . 5.320 4.423 4.090 4.923 . 0 0 "[ . 1 . 2]" 1
272 1 15 PHE HZ 1 38 THR MG . . 4.530 3.680 3.356 4.096 . 0 0 "[ . 1 . 2]" 1
273 1 15 PHE HZ 1 41 VAL HB . . 4.010 3.077 2.793 3.372 . 0 0 "[ . 1 . 2]" 1
274 1 15 PHE HZ 1 41 VAL MG2 . . 4.640 4.295 4.021 4.548 . 0 0 "[ . 1 . 2]" 1
275 1 15 PHE HZ 1 42 LEU H . . 4.450 3.575 3.304 3.723 . 0 0 "[ . 1 . 2]" 1
276 1 15 PHE HZ 1 42 LEU HA . . 3.920 3.872 3.663 3.922 0.002 19 0 "[ . 1 . 2]" 1
277 1 15 PHE HZ 1 42 LEU MD2 . . 4.640 2.141 1.954 2.441 . 0 0 "[ . 1 . 2]" 1
278 1 15 PHE HZ 1 42 LEU HG . . 4.590 2.232 2.023 2.455 . 0 0 "[ . 1 . 2]" 1
279 1 16 ARG H 1 16 ARG HB2 . . 2.940 2.270 2.247 2.318 . 0 0 "[ . 1 . 2]" 1
280 1 16 ARG H 1 16 ARG HB3 . . 3.610 3.542 3.533 3.559 . 0 0 "[ . 1 . 2]" 1
281 1 16 ARG H 1 16 ARG HD2 . . 5.270 4.758 4.690 4.912 . 0 0 "[ . 1 . 2]" 1
282 1 16 ARG H 1 16 ARG QD . . 4.620 4.361 4.146 4.397 . 0 0 "[ . 1 . 2]" 1
283 1 16 ARG H 1 16 ARG HD3 . . 5.270 5.088 4.511 5.182 . 0 0 "[ . 1 . 2]" 1
284 1 16 ARG H 1 16 ARG HG2 . . 3.690 2.831 2.614 2.880 . 0 0 "[ . 1 . 2]" 1
285 1 16 ARG H 1 16 ARG HG3 . . 4.270 3.362 3.306 3.486 . 0 0 "[ . 1 . 2]" 1
286 1 16 ARG H 1 17 LYS H . . 2.990 2.646 2.588 2.667 . 0 0 "[ . 1 . 2]" 1
287 1 16 ARG H 1 17 LYS QB . . 4.680 4.654 4.578 4.680 0.000 9 0 "[ . 1 . 2]" 1
288 1 16 ARG H 1 18 LEU H . . 4.710 3.938 3.912 3.950 . 0 0 "[ . 1 . 2]" 1
289 1 16 ARG H 1 20 TYR H . . 5.470 5.449 5.408 5.475 0.005 20 0 "[ . 1 . 2]" 1
290 1 16 ARG H 1 20 TYR HB2 . . 5.070 4.892 4.810 4.947 . 0 0 "[ . 1 . 2]" 1
291 1 16 ARG H 1 25 ILE HB . . 5.340 5.114 5.065 5.218 . 0 0 "[ . 1 . 2]" 1
292 1 16 ARG H 1 25 ILE MD . . 4.290 2.547 2.459 3.129 . 0 0 "[ . 1 . 2]" 1
293 1 16 ARG H 1 25 ILE MG . . 4.200 3.694 3.316 3.856 . 0 0 "[ . 1 . 2]" 1
294 1 16 ARG HA 1 16 ARG QD . . 3.820 2.727 2.585 2.795 . 0 0 "[ . 1 . 2]" 1
295 1 16 ARG HA 1 16 ARG HG2 . . 3.740 2.362 2.326 2.533 . 0 0 "[ . 1 . 2]" 1
296 1 16 ARG HA 1 18 LEU H . . 4.540 4.236 4.217 4.245 . 0 0 "[ . 1 . 2]" 1
297 1 16 ARG HA 1 19 GLY H . . 4.330 4.222 4.174 4.241 . 0 0 "[ . 1 . 2]" 1
298 1 16 ARG HA 1 20 TYR H . . 3.930 3.638 3.509 3.724 . 0 0 "[ . 1 . 2]" 1
299 1 16 ARG HA 1 20 TYR HB2 . . 3.890 3.455 3.313 3.571 . 0 0 "[ . 1 . 2]" 1
300 1 16 ARG HA 1 20 TYR HB3 . . 5.500 4.610 4.518 4.704 . 0 0 "[ . 1 . 2]" 1
301 1 16 ARG HA 1 25 ILE HB . . 4.780 4.681 4.415 4.758 . 0 0 "[ . 1 . 2]" 1
302 1 16 ARG HA 1 25 ILE MD . . 3.820 2.139 1.956 2.203 . 0 0 "[ . 1 . 2]" 1
303 1 16 ARG HB2 1 16 ARG HD2 . . 4.210 3.706 3.408 3.773 . 0 0 "[ . 1 . 2]" 1
304 1 16 ARG HB2 1 16 ARG QD . . 3.640 3.456 3.218 3.506 . 0 0 "[ . 1 . 2]" 1
305 1 16 ARG HB2 1 16 ARG HD3 . . 4.210 4.135 3.952 4.187 . 0 0 "[ . 1 . 2]" 1
306 1 16 ARG HB2 1 16 ARG HG3 . . 2.400 2.237 2.229 2.270 . 0 0 "[ . 1 . 2]" 1
307 1 16 ARG HB2 1 17 LYS H . . 3.380 3.037 2.980 3.069 . 0 0 "[ . 1 . 2]" 1
308 1 16 ARG HB2 1 17 LYS HA . . 5.010 4.750 4.673 4.777 . 0 0 "[ . 1 . 2]" 1
309 1 16 ARG HB2 1 17 LYS QB . . 4.370 4.128 4.049 4.152 . 0 0 "[ . 1 . 2]" 1
310 1 16 ARG HB2 1 25 ILE MD . . 4.310 3.639 3.598 3.868 . 0 0 "[ . 1 . 2]" 1
311 1 16 ARG HB3 1 17 LYS H . . 3.740 3.703 3.663 3.751 0.011 20 0 "[ . 1 . 2]" 1
312 1 16 ARG HB3 1 17 LYS HA . . 4.390 4.320 4.299 4.371 . 0 0 "[ . 1 . 2]" 1
313 1 16 ARG HB3 1 25 ILE MD . . 4.260 3.858 3.737 3.897 . 0 0 "[ . 1 . 2]" 1
314 1 16 ARG QD 1 22 SER QB . . 4.360 2.210 1.938 2.914 . 0 0 "[ . 1 . 2]" 1
315 1 16 ARG QD 1 25 ILE MG . . 4.470 4.269 3.693 4.462 . 0 0 "[ . 1 . 2]" 1
316 1 16 ARG HD2 1 25 ILE HB . . 4.900 4.635 4.384 4.919 0.019 18 0 "[ . 1 . 2]" 1
317 1 16 ARG HD2 1 25 ILE MD . . 4.630 3.191 2.907 3.652 . 0 0 "[ . 1 . 2]" 1
318 1 16 ARG HD3 1 25 ILE HB . . 4.900 3.871 3.329 4.015 . 0 0 "[ . 1 . 2]" 1
319 1 16 ARG HD3 1 25 ILE MD . . 4.630 3.356 2.161 3.580 . 0 0 "[ . 1 . 2]" 1
320 1 16 ARG HG2 1 17 LYS H . . 4.890 4.774 4.671 4.794 . 0 0 "[ . 1 . 2]" 1
321 1 16 ARG HG2 1 25 ILE HB . . 3.250 3.157 3.072 3.200 . 0 0 "[ . 1 . 2]" 1
322 1 16 ARG HG2 1 25 ILE MD . . 3.970 1.897 1.872 1.959 . 0 0 "[ . 1 . 2]" 1
323 1 16 ARG HG2 1 25 ILE MG . . 4.400 3.194 2.240 3.441 . 0 0 "[ . 1 . 2]" 1
324 1 16 ARG HG3 1 17 LYS H . . 5.500 5.105 5.040 5.165 . 0 0 "[ . 1 . 2]" 1
325 1 16 ARG HG3 1 25 ILE HB . . 4.360 4.365 4.360 4.378 0.018 20 0 "[ . 1 . 2]" 1
326 1 16 ARG HG3 1 25 ILE MD . . 4.480 3.307 3.249 3.513 . 0 0 "[ . 1 . 2]" 1
327 1 16 ARG HG3 1 25 ILE MG . . 4.490 3.943 3.329 4.120 . 0 0 "[ . 1 . 2]" 1
328 1 17 LYS H 1 17 LYS QB . . 2.880 2.472 2.449 2.483 . 0 0 "[ . 1 . 2]" 1
329 1 17 LYS H 1 17 LYS QD . . 3.870 3.176 3.121 3.258 . 0 0 "[ . 1 . 2]" 1
330 1 17 LYS H 1 17 LYS QE . . 5.500 4.317 3.733 5.003 . 0 0 "[ . 1 . 2]" 1
331 1 17 LYS H 1 17 LYS HG2 . . 4.260 2.569 2.557 2.600 . 0 0 "[ . 1 . 2]" 1
332 1 17 LYS H 1 17 LYS HG3 . . 4.260 3.981 3.976 4.001 . 0 0 "[ . 1 . 2]" 1
333 1 17 LYS H 1 18 LEU H . . 3.120 2.194 2.187 2.234 . 0 0 "[ . 1 . 2]" 1
334 1 17 LYS H 1 18 LEU HA . . 5.000 4.797 4.789 4.830 . 0 0 "[ . 1 . 2]" 1
335 1 17 LYS H 1 18 LEU HB2 . . 5.500 4.055 4.011 4.081 . 0 0 "[ . 1 . 2]" 1
336 1 17 LYS H 1 18 LEU MD2 . . 5.020 3.402 3.256 3.574 . 0 0 "[ . 1 . 2]" 1
337 1 17 LYS H 1 20 TYR HB2 . . 5.500 5.498 5.490 5.511 0.011 20 0 "[ . 1 . 2]" 1
338 1 17 LYS H 1 25 ILE MD . . 5.500 4.197 4.146 4.326 . 0 0 "[ . 1 . 2]" 1
339 1 17 LYS HA 1 17 LYS QD . . 4.580 4.326 4.238 4.438 . 0 0 "[ . 1 . 2]" 1
340 1 17 LYS HA 1 17 LYS HG2 . . 4.140 3.602 3.598 3.603 . 0 0 "[ . 1 . 2]" 1
341 1 17 LYS HA 1 17 LYS QG . . 3.590 3.297 3.293 3.299 . 0 0 "[ . 1 . 2]" 1
342 1 17 LYS HA 1 17 LYS HG3 . . 4.140 3.823 3.809 3.835 . 0 0 "[ . 1 . 2]" 1
343 1 17 LYS HA 1 19 GLY H . . 3.940 3.532 3.512 3.570 . 0 0 "[ . 1 . 2]" 1
344 1 17 LYS HA 1 19 GLY HA2 . . 4.870 4.708 4.699 4.734 . 0 0 "[ . 1 . 2]" 1
345 1 17 LYS HA 1 20 TYR H . . 5.300 4.997 4.864 5.162 . 0 0 "[ . 1 . 2]" 1
346 1 17 LYS QB 1 18 LEU H . . 3.910 3.607 3.605 3.610 . 0 0 "[ . 1 . 2]" 1
347 1 17 LYS QD 1 18 LEU MD2 . . 4.150 3.176 2.881 3.601 . 0 0 "[ . 1 . 2]" 1
348 1 17 LYS QE 1 18 LEU H . . 5.500 4.742 3.747 5.372 . 0 0 "[ . 1 . 2]" 1
349 1 17 LYS QE 1 18 LEU MD2 . . 4.990 3.354 2.054 4.512 . 0 0 "[ . 1 . 2]" 1
350 1 17 LYS QG 1 18 LEU H . . 3.270 2.281 2.271 2.312 . 0 0 "[ . 1 . 2]" 1
351 1 17 LYS QG 1 18 LEU HA . . 3.120 3.122 3.111 3.126 0.006 4 0 "[ . 1 . 2]" 1
352 1 17 LYS QG 1 18 LEU HB2 . . 5.340 3.875 3.810 3.913 . 0 0 "[ . 1 . 2]" 1
353 1 17 LYS QG 1 18 LEU MD2 . . 2.900 1.969 1.921 2.073 . 0 0 "[ . 1 . 2]" 1
354 1 17 LYS QG 1 19 GLY H . . 5.040 4.325 4.313 4.337 . 0 0 "[ . 1 . 2]" 1
355 1 17 LYS HG2 1 18 LEU H . . 3.920 2.301 2.291 2.333 . 0 0 "[ . 1 . 2]" 1
356 1 17 LYS HG2 1 18 LEU HA . . 3.710 3.351 3.331 3.360 . 0 0 "[ . 1 . 2]" 1
357 1 17 LYS HG2 1 18 LEU MD2 . . 3.770 2.001 1.949 2.119 . 0 0 "[ . 1 . 2]" 1
358 1 17 LYS HG3 1 18 LEU H . . 3.920 3.726 3.718 3.758 . 0 0 "[ . 1 . 2]" 1
359 1 17 LYS HG3 1 18 LEU HA . . 3.710 3.724 3.721 3.739 0.029 16 0 "[ . 1 . 2]" 1
360 1 17 LYS HG3 1 18 LEU MD2 . . 3.770 2.934 2.871 3.096 . 0 0 "[ . 1 . 2]" 1
361 1 18 LEU H 1 18 LEU HB2 . . 3.090 2.148 2.115 2.161 . 0 0 "[ . 1 . 2]" 1
362 1 18 LEU H 1 18 LEU HB3 . . 4.170 3.471 3.442 3.483 . 0 0 "[ . 1 . 2]" 1
363 1 18 LEU H 1 18 LEU MD1 . . 4.040 3.963 3.923 4.042 0.002 17 0 "[ . 1 . 2]" 1
364 1 18 LEU H 1 18 LEU MD2 . . 3.880 2.301 2.110 2.395 . 0 0 "[ . 1 . 2]" 1
365 1 18 LEU H 1 18 LEU HG . . 4.360 3.995 3.938 4.091 . 0 0 "[ . 1 . 2]" 1
366 1 18 LEU H 1 19 GLY H . . 3.080 2.649 2.628 2.656 . 0 0 "[ . 1 . 2]" 1
367 1 18 LEU H 1 19 GLY HA3 . . 5.400 5.288 5.273 5.293 . 0 0 "[ . 1 . 2]" 1
368 1 18 LEU H 1 20 TYR H . . 4.610 3.842 3.810 3.907 . 0 0 "[ . 1 . 2]" 1
369 1 18 LEU H 1 20 TYR HB2 . . 5.080 4.744 4.713 4.765 . 0 0 "[ . 1 . 2]" 1
370 1 18 LEU H 1 20 TYR QD . . 4.300 4.219 4.124 4.280 . 0 0 "[ . 1 . 2]" 1
371 1 18 LEU HA 1 18 LEU MD1 . . 2.930 2.149 1.991 2.250 . 0 0 "[ . 1 . 2]" 1
372 1 18 LEU HA 1 18 LEU MD2 . . 2.890 2.318 2.279 2.471 . 0 0 "[ . 1 . 2]" 1
373 1 18 LEU HA 1 20 TYR H . . 5.500 5.003 4.952 5.111 . 0 0 "[ . 1 . 2]" 1
374 1 18 LEU HA 1 20 TYR QD . . 5.500 5.122 4.992 5.220 . 0 0 "[ . 1 . 2]" 1
375 1 18 LEU HB2 1 19 GLY H . . 4.170 3.257 3.231 3.305 . 0 0 "[ . 1 . 2]" 1
376 1 18 LEU HB2 1 20 TYR H . . 4.630 3.714 3.626 3.903 . 0 0 "[ . 1 . 2]" 1
377 1 18 LEU HB2 1 20 TYR QD . . 3.690 2.546 2.450 2.640 . 0 0 "[ . 1 . 2]" 1
378 1 18 LEU HB2 1 20 TYR QE . . 3.780 3.746 3.563 3.786 0.006 4 0 "[ . 1 . 2]" 1
379 1 18 LEU HB2 1 25 ILE MD . . 5.120 4.180 4.129 4.362 . 0 0 "[ . 1 . 2]" 1
380 1 18 LEU HB3 1 19 GLY H . . 4.080 3.670 3.613 3.695 . 0 0 "[ . 1 . 2]" 1
381 1 18 LEU HB3 1 20 TYR H . . 4.840 4.163 4.040 4.365 . 0 0 "[ . 1 . 2]" 1
382 1 18 LEU HB3 1 20 TYR QD . . 4.040 2.935 2.762 3.053 . 0 0 "[ . 1 . 2]" 1
383 1 18 LEU HB3 1 20 TYR QE . . 3.650 3.144 3.071 3.270 . 0 0 "[ . 1 . 2]" 1
384 1 18 LEU MD1 1 19 GLY H . . 5.430 4.747 4.696 4.794 . 0 0 "[ . 1 . 2]" 1
385 1 18 LEU MD1 1 20 TYR QD . . 5.500 4.607 4.429 4.700 . 0 0 "[ . 1 . 2]" 1
386 1 18 LEU MD1 1 20 TYR QE . . 5.140 4.100 3.882 4.231 . 0 0 "[ . 1 . 2]" 1
387 1 18 LEU MD2 1 19 GLY H . . 4.930 4.281 4.243 4.345 . 0 0 "[ . 1 . 2]" 1
388 1 18 LEU MD2 1 20 TYR H . . 5.500 5.242 5.183 5.372 . 0 0 "[ . 1 . 2]" 1
389 1 18 LEU MD2 1 20 TYR QD . . 4.550 4.386 4.271 4.523 . 0 0 "[ . 1 . 2]" 1
390 1 19 GLY H 1 20 TYR H . . 3.060 1.968 1.957 2.010 . 0 0 "[ . 1 . 2]" 1
391 1 19 GLY H 1 20 TYR HA . . 5.500 4.714 4.705 4.744 . 0 0 "[ . 1 . 2]" 1
392 1 19 GLY H 1 20 TYR HB2 . . 5.470 3.995 3.980 4.023 . 0 0 "[ . 1 . 2]" 1
393 1 19 GLY H 1 20 TYR HB3 . . 5.500 5.486 5.474 5.501 0.001 5 0 "[ . 1 . 2]" 1
394 1 19 GLY H 1 25 ILE MD . . 5.500 4.555 4.314 4.651 . 0 0 "[ . 1 . 2]" 1
395 1 19 GLY HA2 1 20 TYR HA . . 4.650 4.575 4.521 4.613 . 0 0 "[ . 1 . 2]" 1
396 1 20 TYR H 1 20 TYR HB2 . . 3.700 2.324 2.257 2.388 . 0 0 "[ . 1 . 2]" 1
397 1 20 TYR H 1 20 TYR HB3 . . 3.830 3.584 3.537 3.623 . 0 0 "[ . 1 . 2]" 1
398 1 20 TYR H 1 21 SER H . . 5.250 4.471 4.442 4.549 . 0 0 "[ . 1 . 2]" 1
399 1 20 TYR H 1 25 ILE MD . . 4.440 3.512 3.178 3.597 . 0 0 "[ . 1 . 2]" 1
400 1 20 TYR HA 1 20 TYR QD . . 3.650 2.547 2.465 2.678 . 0 0 "[ . 1 . 2]" 1
401 1 20 TYR HA 1 21 SER H . . 2.850 2.606 2.480 2.631 . 0 0 "[ . 1 . 2]" 1
402 1 20 TYR HA 1 24 GLU HB2 . . 5.500 5.084 4.961 5.269 . 0 0 "[ . 1 . 2]" 1
403 1 20 TYR HB2 1 21 SER H . . 4.200 3.441 3.362 3.704 . 0 0 "[ . 1 . 2]" 1
404 1 20 TYR HB2 1 25 ILE H . . 5.070 5.047 5.001 5.071 0.001 14 0 "[ . 1 . 2]" 1
405 1 20 TYR HB2 1 25 ILE MD . . 3.470 1.949 1.899 1.958 . 0 0 "[ . 1 . 2]" 1
406 1 20 TYR HB2 1 25 ILE HG12 . . 3.880 3.639 3.255 3.767 . 0 0 "[ . 1 . 2]" 1
407 1 20 TYR HB2 1 25 ILE HG13 . . 3.810 3.305 3.240 3.340 . 0 0 "[ . 1 . 2]" 1
408 1 20 TYR HB2 1 45 LEU MD1 . . 4.920 4.045 3.869 4.206 . 0 0 "[ . 1 . 2]" 1
409 1 20 TYR HB2 1 45 LEU MD2 . . 4.690 4.587 4.357 4.702 0.012 4 0 "[ . 1 . 2]" 1
410 1 20 TYR HB3 1 21 SER H . . 4.210 2.006 1.954 2.284 . 0 0 "[ . 1 . 2]" 1
411 1 20 TYR HB3 1 24 GLU HG3 . . 4.340 4.299 4.063 4.352 0.012 20 0 "[ . 1 . 2]" 1
412 1 20 TYR HB3 1 25 ILE H . . 4.870 4.022 3.877 4.121 . 0 0 "[ . 1 . 2]" 1
413 1 20 TYR HB3 1 25 ILE MD . . 4.010 2.716 2.230 2.812 . 0 0 "[ . 1 . 2]" 1
414 1 20 TYR HB3 1 25 ILE HG12 . . 4.720 3.730 3.447 3.850 . 0 0 "[ . 1 . 2]" 1
415 1 20 TYR HB3 1 25 ILE HG13 . . 4.440 2.709 2.523 2.806 . 0 0 "[ . 1 . 2]" 1
416 1 20 TYR HB3 1 45 LEU MD1 . . 5.500 3.819 3.583 4.017 . 0 0 "[ . 1 . 2]" 1
417 1 20 TYR HB3 1 45 LEU MD2 . . 5.500 3.662 3.425 3.786 . 0 0 "[ . 1 . 2]" 1
418 1 20 TYR QD 1 21 SER H . . 4.290 3.093 2.919 3.221 . 0 0 "[ . 1 . 2]" 1
419 1 20 TYR QD 1 25 ILE MD . . 4.170 3.179 3.021 3.413 . 0 0 "[ . 1 . 2]" 1
420 1 20 TYR QD 1 45 LEU HB3 . . 4.560 3.843 3.635 4.066 . 0 0 "[ . 1 . 2]" 1
421 1 20 TYR QD 1 45 LEU MD1 . . 4.660 3.099 2.938 3.308 . 0 0 "[ . 1 . 2]" 1
422 1 20 TYR QD 1 45 LEU MD2 . . 4.300 3.330 2.999 3.596 . 0 0 "[ . 1 . 2]" 1
423 1 20 TYR QE 1 42 LEU MD2 . . 4.530 3.891 3.716 3.999 . 0 0 "[ . 1 . 2]" 1
424 1 20 TYR QE 1 45 LEU HB2 . . 4.700 3.653 3.292 4.095 . 0 0 "[ . 1 . 2]" 1
425 1 20 TYR QE 1 45 LEU HB3 . . 3.500 2.616 2.188 2.975 . 0 0 "[ . 1 . 2]" 1
426 1 20 TYR QE 1 45 LEU MD1 . . 5.050 2.776 2.581 3.034 . 0 0 "[ . 1 . 2]" 1
427 1 20 TYR QE 1 45 LEU MD2 . . 5.420 3.614 3.203 3.900 . 0 0 "[ . 1 . 2]" 1
428 1 20 TYR QE 1 46 VAL HA . . 5.500 5.480 5.330 5.502 0.002 18 0 "[ . 1 . 2]" 1
429 1 21 SER H 1 21 SER HB2 . . 3.880 2.474 2.258 2.923 . 0 0 "[ . 1 . 2]" 1
430 1 21 SER H 1 21 SER QB . . 3.160 2.385 2.204 2.817 . 0 0 "[ . 1 . 2]" 1
431 1 21 SER H 1 21 SER HB3 . . 3.880 3.210 2.885 3.695 . 0 0 "[ . 1 . 2]" 1
432 1 21 SER H 1 23 SER H . . 5.500 5.483 5.415 5.506 0.006 10 0 "[ . 1 . 2]" 1
433 1 21 SER H 1 24 GLU H . . 4.650 4.112 4.032 4.304 . 0 0 "[ . 1 . 2]" 1
434 1 21 SER H 1 24 GLU HB2 . . 3.660 2.734 2.632 3.212 . 0 0 "[ . 1 . 2]" 1
435 1 21 SER H 1 24 GLU HB3 . . 5.070 4.099 3.975 4.620 . 0 0 "[ . 1 . 2]" 1
436 1 21 SER H 1 24 GLU HG2 . . 5.020 4.278 4.143 4.539 . 0 0 "[ . 1 . 2]" 1
437 1 21 SER H 1 24 GLU HG3 . . 4.130 2.884 2.594 2.999 . 0 0 "[ . 1 . 2]" 1
438 1 21 SER H 1 25 ILE H . . 5.240 4.121 4.051 4.284 . 0 0 "[ . 1 . 2]" 1
439 1 21 SER H 1 25 ILE MD . . 4.960 3.757 3.299 3.886 . 0 0 "[ . 1 . 2]" 1
440 1 21 SER HA 1 24 GLU H . . 4.870 4.402 4.351 4.486 . 0 0 "[ . 1 . 2]" 1
441 1 21 SER HA 1 24 GLU HB2 . . 5.500 4.646 4.530 5.043 . 0 0 "[ . 1 . 2]" 1
442 1 21 SER HA 1 24 GLU HG2 . . 5.500 5.320 5.206 5.507 0.007 20 0 "[ . 1 . 2]" 1
443 1 21 SER HA 1 25 ILE MD . . 4.860 4.320 3.809 4.521 . 0 0 "[ . 1 . 2]" 1
444 1 21 SER QB 1 24 GLU H . . 3.430 2.465 2.334 2.693 . 0 0 "[ . 1 . 2]" 1
445 1 21 SER QB 1 24 GLU HG2 . . 5.340 2.447 2.236 2.725 . 0 0 "[ . 1 . 2]" 1
446 1 21 SER QB 1 24 GLU HG3 . . 3.960 2.040 1.909 2.243 . 0 0 "[ . 1 . 2]" 1
447 1 21 SER HB2 1 22 SER H . . 5.390 4.246 3.670 4.385 . 0 0 "[ . 1 . 2]" 1
448 1 21 SER HB2 1 24 GLU H . . 4.130 3.684 2.379 4.139 0.009 10 0 "[ . 1 . 2]" 1
449 1 21 SER HB3 1 22 SER H . . 5.390 3.465 3.133 3.753 . 0 0 "[ . 1 . 2]" 1
450 1 21 SER HB3 1 24 GLU H . . 4.130 2.706 2.348 3.970 . 0 0 "[ . 1 . 2]" 1
451 1 22 SER H 1 24 GLU H . . 5.490 4.021 3.970 4.057 . 0 0 "[ . 1 . 2]" 1
452 1 22 SER QB 1 25 ILE HB . . 5.340 4.677 4.413 5.206 . 0 0 "[ . 1 . 2]" 1
453 1 22 SER QB 1 25 ILE MD . . 5.340 4.394 4.110 4.694 . 0 0 "[ . 1 . 2]" 1
454 1 23 SER H 1 24 GLU H . . 4.260 2.623 2.582 2.657 . 0 0 "[ . 1 . 2]" 1
455 1 23 SER HA 1 25 ILE H . . 5.390 4.996 4.936 5.136 . 0 0 "[ . 1 . 2]" 1
456 1 23 SER HA 1 26 HIS H . . 4.290 3.991 3.765 4.296 0.006 16 0 "[ . 1 . 2]" 1
457 1 23 SER HA 1 26 HIS HB2 . . 4.060 3.872 3.692 4.053 . 0 0 "[ . 1 . 2]" 1
458 1 23 SER HA 1 26 HIS HB3 . . 3.680 3.092 2.885 3.546 . 0 0 "[ . 1 . 2]" 1
459 1 23 SER HA 1 27 SER H . . 4.200 4.092 4.006 4.202 0.002 20 0 "[ . 1 . 2]" 1
460 1 23 SER QB 1 24 GLU H . . 3.300 2.979 2.910 3.301 0.001 3 0 "[ . 1 . 2]" 1
461 1 24 GLU H 1 24 GLU HB2 . . 2.990 2.447 2.402 2.625 . 0 0 "[ . 1 . 2]" 1
462 1 24 GLU H 1 24 GLU HB3 . . 3.700 3.614 3.599 3.657 . 0 0 "[ . 1 . 2]" 1
463 1 24 GLU H 1 24 GLU HG2 . . 3.220 2.562 2.489 2.661 . 0 0 "[ . 1 . 2]" 1
464 1 24 GLU H 1 24 GLU HG3 . . 3.410 3.299 2.900 3.407 . 0 0 "[ . 1 . 2]" 1
465 1 24 GLU H 1 25 ILE H . . 2.930 2.570 2.468 2.620 . 0 0 "[ . 1 . 2]" 1
466 1 24 GLU H 1 25 ILE HA . . 5.440 5.171 5.086 5.217 . 0 0 "[ . 1 . 2]" 1
467 1 24 GLU H 1 25 ILE HB . . 5.410 4.690 4.551 4.758 . 0 0 "[ . 1 . 2]" 1
468 1 24 GLU H 1 25 ILE MD . . 4.890 4.739 4.359 4.869 . 0 0 "[ . 1 . 2]" 1
469 1 24 GLU H 1 25 ILE HG13 . . 5.500 4.364 4.302 4.403 . 0 0 "[ . 1 . 2]" 1
470 1 24 GLU H 1 26 HIS H . . 4.700 3.810 3.539 4.060 . 0 0 "[ . 1 . 2]" 1
471 1 24 GLU HA 1 24 GLU HG2 . . 3.730 2.624 2.502 2.679 . 0 0 "[ . 1 . 2]" 1
472 1 24 GLU HA 1 24 GLU HG3 . . 3.860 3.757 3.709 3.777 . 0 0 "[ . 1 . 2]" 1
473 1 24 GLU HA 1 27 SER H . . 4.000 3.575 3.291 3.797 . 0 0 "[ . 1 . 2]" 1
474 1 24 GLU HA 1 27 SER QB . . 2.990 2.576 2.422 2.693 . 0 0 "[ . 1 . 2]" 1
475 1 24 GLU HA 1 28 VAL H . . 4.170 4.048 3.590 4.169 . 0 0 "[ . 1 . 2]" 1
476 1 24 GLU HB2 1 24 GLU HG2 . . 3.000 2.722 2.666 2.859 . 0 0 "[ . 1 . 2]" 1
477 1 24 GLU HB2 1 25 ILE H . . 3.360 2.284 2.210 2.327 . 0 0 "[ . 1 . 2]" 1
478 1 24 GLU HB2 1 25 ILE HG12 . . 5.500 4.671 4.608 4.726 . 0 0 "[ . 1 . 2]" 1
479 1 24 GLU HB2 1 27 SER H . . 5.500 5.294 5.142 5.396 . 0 0 "[ . 1 . 2]" 1
480 1 24 GLU HB2 1 45 LEU MD2 . . 4.720 3.474 3.127 3.556 . 0 0 "[ . 1 . 2]" 1
481 1 24 GLU HB3 1 25 ILE H . . 3.600 3.346 3.272 3.505 . 0 0 "[ . 1 . 2]" 1
482 1 24 GLU HB3 1 25 ILE HA . . 5.020 4.305 4.247 4.513 . 0 0 "[ . 1 . 2]" 1
483 1 24 GLU HB3 1 25 ILE MD . . 5.230 5.218 5.144 5.238 0.008 20 0 "[ . 1 . 2]" 1
484 1 24 GLU HB3 1 25 ILE HG13 . . 4.760 3.966 3.900 4.238 . 0 0 "[ . 1 . 2]" 1
485 1 24 GLU HB3 1 27 SER H . . 5.500 5.278 5.125 5.458 . 0 0 "[ . 1 . 2]" 1
486 1 24 GLU HB3 1 28 VAL MG2 . . 5.360 4.469 4.226 4.547 . 0 0 "[ . 1 . 2]" 1
487 1 24 GLU HB3 1 45 LEU MD2 . . 4.230 2.699 2.656 2.770 . 0 0 "[ . 1 . 2]" 1
488 1 24 GLU HG2 1 25 ILE H . . 5.000 4.356 4.263 4.438 . 0 0 "[ . 1 . 2]" 1
489 1 24 GLU HG2 1 45 LEU MD2 . . 5.070 5.070 4.873 5.083 0.013 14 0 "[ . 1 . 2]" 1
490 1 24 GLU HG3 1 25 ILE H . . 4.590 4.403 4.008 4.505 . 0 0 "[ . 1 . 2]" 1
491 1 24 GLU HG3 1 45 LEU MD2 . . 5.050 4.450 4.300 4.589 . 0 0 "[ . 1 . 2]" 1
492 1 25 ILE H 1 25 ILE HB . . 2.670 2.541 2.526 2.559 . 0 0 "[ . 1 . 2]" 1
493 1 25 ILE H 1 25 ILE MD . . 3.320 3.193 2.986 3.294 . 0 0 "[ . 1 . 2]" 1
494 1 25 ILE H 1 25 ILE HG12 . . 3.980 3.582 3.550 3.651 . 0 0 "[ . 1 . 2]" 1
495 1 25 ILE H 1 25 ILE HG13 . . 3.160 2.099 2.069 2.147 . 0 0 "[ . 1 . 2]" 1
496 1 25 ILE H 1 25 ILE MG . . 4.760 3.764 3.763 3.765 . 0 0 "[ . 1 . 2]" 1
497 1 25 ILE H 1 26 HIS H . . 3.140 2.701 2.637 2.790 . 0 0 "[ . 1 . 2]" 1
498 1 25 ILE H 1 26 HIS HB2 . . 4.860 4.785 4.653 4.822 . 0 0 "[ . 1 . 2]" 1
499 1 25 ILE H 1 27 SER QB . . 5.310 4.714 4.558 4.877 . 0 0 "[ . 1 . 2]" 1
500 1 25 ILE H 1 45 LEU MD2 . . 4.500 4.009 3.872 4.138 . 0 0 "[ . 1 . 2]" 1
501 1 25 ILE HA 1 25 ILE MD . . 4.180 3.882 3.867 3.885 . 0 0 "[ . 1 . 2]" 1
502 1 25 ILE HA 1 25 ILE HG12 . . 3.590 2.738 2.677 2.884 . 0 0 "[ . 1 . 2]" 1
503 1 25 ILE HA 1 25 ILE HG13 . . 3.530 2.763 2.624 2.808 . 0 0 "[ . 1 . 2]" 1
504 1 25 ILE HA 1 25 ILE MG . . 3.130 2.353 2.312 2.395 . 0 0 "[ . 1 . 2]" 1
505 1 25 ILE HA 1 27 SER H . . 5.030 4.063 3.941 4.218 . 0 0 "[ . 1 . 2]" 1
506 1 25 ILE HA 1 28 VAL H . . 4.030 3.797 3.643 4.029 . 0 0 "[ . 1 . 2]" 1
507 1 25 ILE HA 1 28 VAL HB . . 5.110 5.007 4.845 5.114 0.004 14 0 "[ . 1 . 2]" 1
508 1 25 ILE HA 1 28 VAL MG1 . . 3.940 3.824 3.683 3.941 0.001 5 0 "[ . 1 . 2]" 1
509 1 25 ILE HA 1 28 VAL MG2 . . 3.690 2.177 2.012 2.287 . 0 0 "[ . 1 . 2]" 1
510 1 25 ILE HA 1 29 LEU H . . 4.330 4.090 3.908 4.215 . 0 0 "[ . 1 . 2]" 1
511 1 25 ILE HA 1 45 LEU MD1 . . 4.830 4.303 4.137 4.537 . 0 0 "[ . 1 . 2]" 1
512 1 25 ILE HA 1 45 LEU MD2 . . 3.550 3.097 2.918 3.400 . 0 0 "[ . 1 . 2]" 1
513 1 25 ILE HB 1 25 ILE MD . . 3.470 2.322 2.138 2.347 . 0 0 "[ . 1 . 2]" 1
514 1 25 ILE HB 1 26 HIS H . . 3.220 2.592 2.307 2.858 . 0 0 "[ . 1 . 2]" 1
515 1 25 ILE HB 1 26 HIS HA . . 4.380 4.271 4.190 4.376 . 0 0 "[ . 1 . 2]" 1
516 1 25 ILE HB 1 27 SER H . . 5.500 4.808 4.601 4.974 . 0 0 "[ . 1 . 2]" 1
517 1 25 ILE MD 1 25 ILE MG . . 2.400 2.142 2.048 2.460 0.060 20 0 "[ . 1 . 2]" 1
518 1 25 ILE MD 1 26 HIS H . . 4.510 4.346 4.130 4.517 0.007 15 0 "[ . 1 . 2]" 1
519 1 25 ILE MD 1 45 LEU MD1 . . 4.960 3.982 3.832 4.335 . 0 0 "[ . 1 . 2]" 1
520 1 25 ILE HG12 1 25 ILE MG . . 3.140 2.263 2.188 2.300 . 0 0 "[ . 1 . 2]" 1
521 1 25 ILE HG12 1 26 HIS H . . 5.500 5.068 4.940 5.247 . 0 0 "[ . 1 . 2]" 1
522 1 25 ILE HG13 1 25 ILE MG . . 3.660 3.168 3.119 3.183 . 0 0 "[ . 1 . 2]" 1
523 1 25 ILE HG13 1 45 LEU MD2 . . 4.960 3.302 3.074 3.469 . 0 0 "[ . 1 . 2]" 1
524 1 25 ILE MG 1 26 HIS H . . 3.960 3.411 3.173 3.612 . 0 0 "[ . 1 . 2]" 1
525 1 25 ILE MG 1 26 HIS HA . . 4.640 3.428 3.313 3.534 . 0 0 "[ . 1 . 2]" 1
526 1 25 ILE MG 1 29 LEU H . . 5.150 4.182 3.921 4.550 . 0 0 "[ . 1 . 2]" 1
527 1 25 ILE MG 1 29 LEU HB2 . . 5.350 3.525 3.284 3.794 . 0 0 "[ . 1 . 2]" 1
528 1 25 ILE MG 1 29 LEU MD2 . . 2.850 2.370 2.033 2.819 . 0 0 "[ . 1 . 2]" 1
529 1 26 HIS H 1 26 HIS HB2 . . 3.140 2.294 2.104 2.402 . 0 0 "[ . 1 . 2]" 1
530 1 26 HIS H 1 26 HIS HB3 . . 3.200 2.817 2.734 3.063 . 0 0 "[ . 1 . 2]" 1
531 1 26 HIS H 1 26 HIS HD2 . . 4.830 4.763 4.546 4.845 0.015 16 0 "[ . 1 . 2]" 1
532 1 26 HIS H 1 27 SER H . . 3.150 2.547 2.339 2.727 . 0 0 "[ . 1 . 2]" 1
533 1 26 HIS H 1 27 SER QB . . 4.600 4.286 4.124 4.490 . 0 0 "[ . 1 . 2]" 1
534 1 26 HIS HA 1 26 HIS HD2 . . 4.400 3.123 2.303 3.987 . 0 0 "[ . 1 . 2]" 1
535 1 26 HIS HA 1 26 HIS HE1 . . 5.500 5.351 4.868 5.531 0.031 16 0 "[ . 1 . 2]" 1
536 1 26 HIS HA 1 28 VAL H . . 5.500 5.010 4.502 5.172 . 0 0 "[ . 1 . 2]" 1
537 1 26 HIS HA 1 28 VAL MG2 . . 4.550 4.387 4.190 4.549 . 0 0 "[ . 1 . 2]" 1
538 1 26 HIS HA 1 29 LEU H . . 3.850 3.771 3.542 3.858 0.008 18 0 "[ . 1 . 2]" 1
539 1 26 HIS HA 1 29 LEU HB2 . . 3.290 2.753 2.659 2.945 . 0 0 "[ . 1 . 2]" 1
540 1 26 HIS HA 1 29 LEU HB3 . . 4.340 3.918 3.805 4.119 . 0 0 "[ . 1 . 2]" 1
541 1 26 HIS HA 1 29 LEU MD2 . . 4.910 4.203 4.135 4.363 . 0 0 "[ . 1 . 2]" 1
542 1 26 HIS HA 1 29 LEU HG . . 4.770 4.290 4.170 4.528 . 0 0 "[ . 1 . 2]" 1
543 1 26 HIS HA 1 30 GLN H . . 4.680 4.102 3.880 4.363 . 0 0 "[ . 1 . 2]" 1
544 1 26 HIS HB2 1 27 SER H . . 3.880 3.840 3.677 3.881 0.001 13 0 "[ . 1 . 2]" 1
545 1 26 HIS HB3 1 27 SER H . . 3.160 2.997 2.911 3.115 . 0 0 "[ . 1 . 2]" 1
546 1 26 HIS HB3 1 27 SER HA . . 5.020 4.096 4.009 4.137 . 0 0 "[ . 1 . 2]" 1
547 1 27 SER H 1 27 SER QB . . 2.680 2.172 2.127 2.252 . 0 0 "[ . 1 . 2]" 1
548 1 27 SER H 1 28 VAL H . . 3.130 2.714 2.489 2.845 . 0 0 "[ . 1 . 2]" 1
549 1 27 SER H 1 28 VAL MG1 . . 4.610 4.321 4.086 4.537 . 0 0 "[ . 1 . 2]" 1
550 1 27 SER H 1 28 VAL MG2 . . 4.610 3.568 3.447 3.652 . 0 0 "[ . 1 . 2]" 1
551 1 27 SER H 1 29 LEU HB2 . . 5.500 4.672 4.533 4.818 . 0 0 "[ . 1 . 2]" 1
552 1 27 SER H 1 30 GLN HB3 . . 5.470 5.072 4.904 5.381 . 0 0 "[ . 1 . 2]" 1
553 1 27 SER HA 1 28 VAL HA . . 4.990 4.802 4.737 4.831 . 0 0 "[ . 1 . 2]" 1
554 1 27 SER HA 1 30 GLN H . . 3.790 3.389 3.249 3.572 . 0 0 "[ . 1 . 2]" 1
555 1 27 SER HA 1 30 GLN HB2 . . 4.020 3.476 3.064 3.748 . 0 0 "[ . 1 . 2]" 1
556 1 27 SER HA 1 30 GLN HB3 . . 3.680 2.656 2.451 2.894 . 0 0 "[ . 1 . 2]" 1
557 1 27 SER HA 1 30 GLN HG2 . . 5.230 4.520 4.099 5.112 . 0 0 "[ . 1 . 2]" 1
558 1 27 SER HA 1 30 GLN QG . . 4.600 4.209 3.878 4.605 0.005 7 0 "[ . 1 . 2]" 1
559 1 27 SER HA 1 30 GLN HG3 . . 5.230 5.034 4.763 5.233 0.003 19 0 "[ . 1 . 2]" 1
560 1 27 SER QB 1 28 VAL H . . 3.220 2.404 2.256 2.683 . 0 0 "[ . 1 . 2]" 1
561 1 27 SER QB 1 28 VAL MG1 . . 4.260 3.325 3.139 3.521 . 0 0 "[ . 1 . 2]" 1
562 1 27 SER QB 1 28 VAL MG2 . . 4.320 3.883 3.691 4.079 . 0 0 "[ . 1 . 2]" 1
563 1 28 VAL H 1 28 VAL HB . . 3.620 3.615 3.611 3.622 0.002 15 0 "[ . 1 . 2]" 1
564 1 28 VAL H 1 28 VAL MG1 . . 3.060 2.145 2.077 2.247 . 0 0 "[ . 1 . 2]" 1
565 1 28 VAL H 1 28 VAL MG2 . . 3.570 2.044 1.924 2.169 . 0 0 "[ . 1 . 2]" 1
566 1 28 VAL H 1 29 LEU H . . 2.970 2.751 2.520 2.823 . 0 0 "[ . 1 . 2]" 1
567 1 28 VAL H 1 29 LEU HB2 . . 4.760 4.628 4.373 4.693 . 0 0 "[ . 1 . 2]" 1
568 1 28 VAL HA 1 28 VAL MG1 . . 3.300 2.336 2.293 2.373 . 0 0 "[ . 1 . 2]" 1
569 1 28 VAL HA 1 28 VAL MG2 . . 3.370 3.194 3.187 3.200 . 0 0 "[ . 1 . 2]" 1
570 1 28 VAL HA 1 30 GLN H . . 4.340 4.271 4.063 4.342 0.002 17 0 "[ . 1 . 2]" 1
571 1 28 VAL HA 1 31 LYS H . . 4.020 3.613 3.383 3.785 . 0 0 "[ . 1 . 2]" 1
572 1 28 VAL HA 1 31 LYS QB . . 3.630 3.187 2.884 3.487 . 0 0 "[ . 1 . 2]" 1
573 1 28 VAL HA 1 32 LEU H . . 4.380 3.994 3.879 4.097 . 0 0 "[ . 1 . 2]" 1
574 1 28 VAL HB 1 29 LEU H . . 4.040 3.725 3.579 3.780 . 0 0 "[ . 1 . 2]" 1
575 1 28 VAL HB 1 29 LEU HA . . 4.920 4.405 4.297 4.450 . 0 0 "[ . 1 . 2]" 1
576 1 28 VAL HB 1 32 LEU QD . . 3.820 2.458 2.029 2.868 . 0 0 "[ . 1 . 2]" 1
577 1 28 VAL HB 1 44 GLU QB . . 3.310 2.821 2.634 3.022 . 0 0 "[ . 1 . 2]" 1
578 1 28 VAL HB 1 44 GLU QG . . 3.220 2.625 2.439 2.860 . 0 0 "[ . 1 . 2]" 1
579 1 28 VAL MG1 1 29 LEU H . . 4.120 3.954 3.934 3.991 . 0 0 "[ . 1 . 2]" 1
580 1 28 VAL MG1 1 41 VAL MG1 . . 4.530 4.140 4.028 4.291 . 0 0 "[ . 1 . 2]" 1
581 1 28 VAL MG1 1 44 GLU HB2 . . 3.940 2.570 2.230 2.825 . 0 0 "[ . 1 . 2]" 1
582 1 28 VAL MG1 1 44 GLU QB . . 3.370 1.897 1.838 1.969 . 0 0 "[ . 1 . 2]" 1
583 1 28 VAL MG1 1 44 GLU HB3 . . 3.940 1.957 1.910 2.019 . 0 0 "[ . 1 . 2]" 1
584 1 28 VAL MG1 1 44 GLU QG . . 3.910 3.120 3.020 3.369 . 0 0 "[ . 1 . 2]" 1
585 1 28 VAL MG1 1 45 LEU HA . . 4.100 3.968 3.659 4.102 0.002 12 0 "[ . 1 . 2]" 1
586 1 28 VAL MG1 1 45 LEU MD2 . . 3.640 2.483 2.191 2.838 . 0 0 "[ . 1 . 2]" 1
587 1 28 VAL MG1 1 45 LEU HG . . 4.170 3.526 3.270 3.733 . 0 0 "[ . 1 . 2]" 1
588 1 28 VAL MG2 1 29 LEU H . . 3.350 2.007 1.916 2.099 . 0 0 "[ . 1 . 2]" 1
589 1 28 VAL MG2 1 29 LEU HA . . 3.710 3.411 3.288 3.512 . 0 0 "[ . 1 . 2]" 1
590 1 28 VAL MG2 1 29 LEU HB2 . . 3.860 3.265 3.196 3.313 . 0 0 "[ . 1 . 2]" 1
591 1 28 VAL MG2 1 29 LEU HB3 . . 4.490 4.481 4.452 4.497 0.007 11 0 "[ . 1 . 2]" 1
592 1 28 VAL MG2 1 29 LEU MD2 . . 2.400 1.873 1.836 1.954 . 0 0 "[ . 1 . 2]" 1
593 1 28 VAL MG2 1 41 VAL HA . . 4.350 3.666 3.400 3.861 . 0 0 "[ . 1 . 2]" 1
594 1 28 VAL MG2 1 41 VAL MG1 . . 4.090 2.683 2.474 2.804 . 0 0 "[ . 1 . 2]" 1
595 1 28 VAL MG2 1 44 GLU HB2 . . 4.200 3.512 3.361 3.757 . 0 0 "[ . 1 . 2]" 1
596 1 28 VAL MG2 1 44 GLU QB . . 3.460 3.251 3.135 3.431 . 0 0 "[ . 1 . 2]" 1
597 1 28 VAL MG2 1 44 GLU HB3 . . 4.200 3.844 3.683 3.975 . 0 0 "[ . 1 . 2]" 1
598 1 28 VAL MG2 1 44 GLU QG . . 3.870 3.796 3.662 3.872 0.002 20 0 "[ . 1 . 2]" 1
599 1 28 VAL MG2 1 45 LEU MD2 . . 4.410 2.593 2.309 2.825 . 0 0 "[ . 1 . 2]" 1
600 1 28 VAL MG2 1 45 LEU HG . . 4.840 3.712 3.416 3.975 . 0 0 "[ . 1 . 2]" 1
601 1 29 LEU H 1 29 LEU HB2 . . 2.680 2.119 2.092 2.142 . 0 0 "[ . 1 . 2]" 1
602 1 29 LEU H 1 29 LEU HB3 . . 3.630 3.432 3.405 3.452 . 0 0 "[ . 1 . 2]" 1
603 1 29 LEU H 1 29 LEU MD2 . . 3.270 2.565 2.503 2.620 . 0 0 "[ . 1 . 2]" 1
604 1 29 LEU H 1 29 LEU HG . . 4.300 4.080 4.048 4.151 . 0 0 "[ . 1 . 2]" 1
605 1 29 LEU H 1 30 GLN H . . 2.990 2.485 2.413 2.564 . 0 0 "[ . 1 . 2]" 1
606 1 29 LEU H 1 31 LYS H . . 4.530 4.014 3.945 4.123 . 0 0 "[ . 1 . 2]" 1
607 1 29 LEU HA 1 29 LEU MD2 . . 2.820 2.193 2.126 2.386 . 0 0 "[ . 1 . 2]" 1
608 1 29 LEU HA 1 31 LYS H . . 5.260 3.992 3.846 4.420 . 0 0 "[ . 1 . 2]" 1
609 1 29 LEU HA 1 32 LEU H . . 3.770 3.319 3.170 3.476 . 0 0 "[ . 1 . 2]" 1
610 1 29 LEU HA 1 32 LEU HB2 . . 3.800 2.521 2.230 2.645 . 0 0 "[ . 1 . 2]" 1
611 1 29 LEU HA 1 32 LEU HB3 . . 5.120 3.910 3.726 4.124 . 0 0 "[ . 1 . 2]" 1
612 1 29 LEU HA 1 33 GLY H . . 3.610 2.768 2.614 3.091 . 0 0 "[ . 1 . 2]" 1
613 1 29 LEU HA 1 36 ALA MB . . 4.980 3.993 3.816 4.136 . 0 0 "[ . 1 . 2]" 1
614 1 29 LEU HB2 1 29 LEU MD2 . . 3.430 2.417 2.312 2.450 . 0 0 "[ . 1 . 2]" 1
615 1 29 LEU HB2 1 30 GLN H . . 3.370 3.046 2.991 3.166 . 0 0 "[ . 1 . 2]" 1
616 1 29 LEU HB2 1 32 LEU HB2 . . 5.500 5.418 5.169 5.500 0.000 6 0 "[ . 1 . 2]" 1
617 1 29 LEU HB3 1 30 GLN H . . 4.060 3.397 3.341 3.451 . 0 0 "[ . 1 . 2]" 1
618 1 29 LEU HB3 1 30 GLN HA . . 5.500 4.047 4.017 4.079 . 0 0 "[ . 1 . 2]" 1
619 1 29 LEU HB3 1 30 GLN HB2 . . 5.500 4.892 4.718 5.066 . 0 0 "[ . 1 . 2]" 1
620 1 29 LEU HB3 1 33 GLY H . . 5.240 4.237 4.058 4.522 . 0 0 "[ . 1 . 2]" 1
621 1 29 LEU MD1 1 41 VAL MG1 . . 5.500 4.161 3.984 4.427 . 0 0 "[ . 1 . 2]" 1
622 1 29 LEU MD2 1 33 GLY H . . 5.000 4.495 4.335 4.851 . 0 0 "[ . 1 . 2]" 1
623 1 29 LEU MD2 1 41 VAL MG1 . . 3.800 2.610 2.462 2.767 . 0 0 "[ . 1 . 2]" 1
624 1 30 GLN H 1 30 GLN HB2 . . 3.070 2.682 2.453 2.778 . 0 0 "[ . 1 . 2]" 1
625 1 30 GLN H 1 30 GLN HB3 . . 2.820 2.395 2.358 2.594 . 0 0 "[ . 1 . 2]" 1
626 1 30 GLN H 1 30 GLN HG2 . . 4.700 4.516 4.360 4.616 . 0 0 "[ . 1 . 2]" 1
627 1 30 GLN H 1 30 GLN QG . . 3.960 3.962 3.947 3.972 0.012 8 0 "[ . 1 . 2]" 1
628 1 30 GLN H 1 30 GLN HG3 . . 4.700 4.399 4.312 4.530 . 0 0 "[ . 1 . 2]" 1
629 1 30 GLN H 1 31 LYS H . . 3.130 2.556 2.450 2.651 . 0 0 "[ . 1 . 2]" 1
630 1 30 GLN H 1 32 LEU H . . 4.350 4.086 3.754 4.336 . 0 0 "[ . 1 . 2]" 1
631 1 30 GLN HA 1 30 GLN HG2 . . 3.890 3.575 3.049 3.844 . 0 0 "[ . 1 . 2]" 1
632 1 30 GLN HA 1 30 GLN HG3 . . 3.890 3.002 2.518 3.277 . 0 0 "[ . 1 . 2]" 1
633 1 30 GLN HA 1 33 GLY H . . 4.600 4.449 4.055 4.603 0.003 7 0 "[ . 1 . 2]" 1
634 1 30 GLN HB3 1 31 LYS H . . 3.630 2.947 2.746 3.028 . 0 0 "[ . 1 . 2]" 1
635 1 31 LYS H 1 31 LYS QB . . 3.070 2.336 2.191 2.499 . 0 0 "[ . 1 . 2]" 1
636 1 31 LYS H 1 31 LYS QD . . 5.160 4.210 2.789 4.722 . 0 0 "[ . 1 . 2]" 1
637 1 31 LYS H 1 31 LYS HG2 . . 4.940 4.012 2.486 4.744 . 0 0 "[ . 1 . 2]" 1
638 1 31 LYS H 1 31 LYS QG . . 4.200 3.500 2.456 4.117 . 0 0 "[ . 1 . 2]" 1
639 1 31 LYS H 1 31 LYS HG3 . . 4.940 4.064 2.700 4.591 . 0 0 "[ . 1 . 2]" 1
640 1 31 LYS H 1 32 LEU H . . 3.220 2.278 2.176 2.391 . 0 0 "[ . 1 . 2]" 1
641 1 31 LYS H 1 32 LEU HA . . 5.090 4.952 4.867 5.062 . 0 0 "[ . 1 . 2]" 1
642 1 31 LYS H 1 32 LEU HB2 . . 5.460 4.168 4.081 4.391 . 0 0 "[ . 1 . 2]" 1
643 1 31 LYS H 1 33 GLY H . . 5.500 4.061 3.923 4.345 . 0 0 "[ . 1 . 2]" 1
644 1 31 LYS HA 1 31 LYS QG . . 3.310 2.503 2.199 2.959 . 0 0 "[ . 1 . 2]" 1
645 1 31 LYS QB 1 32 LEU H . . 3.360 2.596 2.323 2.873 . 0 0 "[ . 1 . 2]" 1
646 1 31 LYS QB 1 33 GLY H . . 5.210 4.985 4.830 5.146 . 0 0 "[ . 1 . 2]" 1
647 1 31 LYS QD 1 31 LYS QG . . 2.310 2.062 2.028 2.096 . 0 0 "[ . 1 . 2]" 1
648 1 31 LYS QG 1 32 LEU H . . 4.690 4.016 3.513 4.407 . 0 0 "[ . 1 . 2]" 1
649 1 32 LEU H 1 32 LEU HB2 . . 3.040 2.215 2.160 2.294 . 0 0 "[ . 1 . 2]" 1
650 1 32 LEU H 1 32 LEU HB3 . . 3.890 3.510 3.472 3.557 . 0 0 "[ . 1 . 2]" 1
651 1 32 LEU H 1 32 LEU MD1 . . 4.320 2.723 2.000 3.437 . 0 0 "[ . 1 . 2]" 1
652 1 32 LEU H 1 32 LEU QD . . 3.690 2.652 1.992 3.290 . 0 0 "[ . 1 . 2]" 1
653 1 32 LEU H 1 32 LEU MD2 . . 4.320 3.950 3.746 4.230 . 0 0 "[ . 1 . 2]" 1
654 1 32 LEU H 1 32 LEU HG . . 4.290 3.576 2.767 4.286 . 0 0 "[ . 1 . 2]" 1
655 1 32 LEU H 1 33 GLY H . . 2.900 2.709 2.515 2.874 . 0 0 "[ . 1 . 2]" 1
656 1 32 LEU H 1 33 GLY QA . . 5.300 4.391 4.201 4.552 . 0 0 "[ . 1 . 2]" 1
657 1 32 LEU H 1 36 ALA MB . . 4.910 4.700 4.584 4.775 . 0 0 "[ . 1 . 2]" 1
658 1 32 LEU HA 1 32 LEU MD1 . . 4.020 3.020 2.217 3.862 . 0 0 "[ . 1 . 2]" 1
659 1 32 LEU HA 1 32 LEU QD . . 2.860 2.360 2.203 2.469 . 0 0 "[ . 1 . 2]" 1
660 1 32 LEU HA 1 32 LEU MD2 . . 4.020 3.182 2.307 3.816 . 0 0 "[ . 1 . 2]" 1
661 1 32 LEU HA 1 32 LEU HG . . 3.490 2.577 2.514 2.679 . 0 0 "[ . 1 . 2]" 1
662 1 32 LEU HB2 1 32 LEU QD . . 3.140 2.016 1.937 2.109 . 0 0 "[ . 1 . 2]" 1
663 1 32 LEU HB2 1 33 GLY H . . 3.560 2.451 2.328 2.535 . 0 0 "[ . 1 . 2]" 1
664 1 32 LEU HB2 1 36 ALA HA . . 5.500 5.083 4.824 5.249 . 0 0 "[ . 1 . 2]" 1
665 1 32 LEU HB2 1 36 ALA MB . . 4.120 2.934 2.756 3.054 . 0 0 "[ . 1 . 2]" 1
666 1 32 LEU HB3 1 33 GLY H . . 4.130 2.964 2.861 3.104 . 0 0 "[ . 1 . 2]" 1
667 1 32 LEU HB3 1 34 VAL H . . 5.500 5.504 5.498 5.516 0.016 17 0 "[ . 1 . 2]" 1
668 1 32 LEU HB3 1 36 ALA H . . 5.500 3.261 3.114 3.456 . 0 0 "[ . 1 . 2]" 1
669 1 32 LEU HB3 1 36 ALA HA . . 5.500 3.480 3.236 3.634 . 0 0 "[ . 1 . 2]" 1
670 1 32 LEU HB3 1 36 ALA MB . . 4.030 1.906 1.892 1.940 . 0 0 "[ . 1 . 2]" 1
671 1 32 LEU QD 1 36 ALA HA . . 4.420 2.917 2.351 3.402 . 0 0 "[ . 1 . 2]" 1
672 1 32 LEU QD 1 36 ALA MB . . 3.560 1.915 1.854 2.036 . 0 0 "[ . 1 . 2]" 1
673 1 32 LEU QD 1 40 THR HB . . 4.420 2.654 2.097 3.098 . 0 0 "[ . 1 . 2]" 1
674 1 32 LEU QD 1 40 THR MG . . 3.190 1.812 1.686 1.979 . 0 0 "[ . 1 . 2]" 1
675 1 32 LEU QD 1 41 VAL HA . . 4.170 2.909 2.808 3.104 . 0 0 "[ . 1 . 2]" 1
676 1 32 LEU MD1 1 36 ALA HA . . 5.290 4.643 3.883 5.293 0.003 18 0 "[ . 1 . 2]" 1
677 1 32 LEU MD1 1 40 THR HB . . 5.190 4.312 3.355 5.191 0.001 18 0 "[ . 1 . 2]" 1
678 1 32 LEU MD1 1 41 VAL MG1 . . 5.500 4.723 3.671 5.505 0.005 17 0 "[ . 1 . 2]" 1
679 1 32 LEU MD2 1 36 ALA HA . . 5.290 2.949 2.368 3.450 . 0 0 "[ . 1 . 2]" 1
680 1 32 LEU MD2 1 40 THR HB . . 5.190 2.754 2.100 3.330 . 0 0 "[ . 1 . 2]" 1
681 1 32 LEU MD2 1 41 VAL MG1 . . 5.500 4.617 3.815 5.506 0.006 12 0 "[ . 1 . 2]" 1
682 1 32 LEU HG 1 36 ALA HA . . 5.500 4.502 3.670 5.502 0.002 12 0 "[ . 1 . 2]" 1
683 1 33 GLY H 1 34 VAL QG . . 5.200 5.159 5.104 5.191 . 0 0 "[ . 1 . 2]" 1
684 1 33 GLY H 1 36 ALA H . . 5.340 4.690 4.595 4.770 . 0 0 "[ . 1 . 2]" 1
685 1 33 GLY H 1 36 ALA MB . . 5.400 3.664 3.559 3.767 . 0 0 "[ . 1 . 2]" 1
686 1 33 GLY QA 1 34 VAL H . . 2.600 2.132 2.118 2.145 . 0 0 "[ . 1 . 2]" 1
687 1 33 GLY QA 1 34 VAL QG . . 4.560 3.313 3.231 3.402 . 0 0 "[ . 1 . 2]" 1
688 1 33 GLY QA 1 35 GLN H . . 4.010 3.323 3.284 3.361 . 0 0 "[ . 1 . 2]" 1
689 1 33 GLY QA 1 36 ALA H . . 5.340 4.180 4.124 4.220 . 0 0 "[ . 1 . 2]" 1
690 1 33 GLY QA 1 36 ALA MB . . 5.340 4.221 4.176 4.265 . 0 0 "[ . 1 . 2]" 1
691 1 33 GLY HA2 1 34 VAL H . . 3.220 3.092 3.044 3.153 . 0 0 "[ . 1 . 2]" 1
692 1 33 GLY HA3 1 34 VAL H . . 3.220 2.173 2.153 2.192 . 0 0 "[ . 1 . 2]" 1
693 1 34 VAL H 1 34 VAL HB . . 3.160 2.584 2.527 2.623 . 0 0 "[ . 1 . 2]" 1
694 1 34 VAL H 1 34 VAL QG . . 2.910 2.422 2.275 2.552 . 0 0 "[ . 1 . 2]" 1
695 1 34 VAL H 1 35 GLN H . . 3.580 2.149 2.142 2.164 . 0 0 "[ . 1 . 2]" 1
696 1 34 VAL H 1 35 GLN HG2 . . 5.420 4.197 3.387 5.340 . 0 0 "[ . 1 . 2]" 1
697 1 34 VAL H 1 35 GLN QG . . 4.620 3.557 3.305 3.818 . 0 0 "[ . 1 . 2]" 1
698 1 34 VAL H 1 35 GLN HG3 . . 5.420 4.488 3.446 5.411 . 0 0 "[ . 1 . 2]" 1
699 1 34 VAL H 1 36 ALA MB . . 4.840 4.772 4.671 4.831 . 0 0 "[ . 1 . 2]" 1
700 1 34 VAL HA 1 34 VAL QG . . 3.240 2.063 2.039 2.106 . 0 0 "[ . 1 . 2]" 1
701 1 34 VAL HA 1 36 ALA H . . 5.280 3.642 3.561 3.750 . 0 0 "[ . 1 . 2]" 1
702 1 34 VAL HA 1 36 ALA MB . . 4.150 3.999 3.840 4.124 . 0 0 "[ . 1 . 2]" 1
703 1 34 VAL HB 1 35 GLN H . . 4.160 3.072 2.995 3.110 . 0 0 "[ . 1 . 2]" 1
704 1 34 VAL HB 1 35 GLN HA . . 4.400 4.244 4.209 4.293 . 0 0 "[ . 1 . 2]" 1
705 1 34 VAL QG 1 35 GLN H . . 4.000 3.471 3.421 3.493 . 0 0 "[ . 1 . 2]" 1
706 1 34 VAL QG 1 35 GLN HA . . 4.320 3.766 3.587 3.871 . 0 0 "[ . 1 . 2]" 1
707 1 35 GLN H 1 35 GLN QB . . 3.460 2.459 2.320 2.602 . 0 0 "[ . 1 . 2]" 1
708 1 35 GLN H 1 35 GLN HG2 . . 4.320 2.654 1.967 3.643 . 0 0 "[ . 1 . 2]" 1
709 1 35 GLN H 1 35 GLN QG . . 3.760 2.194 1.950 2.467 . 0 0 "[ . 1 . 2]" 1
710 1 35 GLN H 1 35 GLN HG3 . . 4.320 2.915 2.152 3.668 . 0 0 "[ . 1 . 2]" 1
711 1 35 GLN H 1 36 ALA H . . 3.880 2.576 2.571 2.588 . 0 0 "[ . 1 . 2]" 1
712 1 35 GLN H 1 36 ALA HA . . 5.500 5.087 5.062 5.118 . 0 0 "[ . 1 . 2]" 1
713 1 35 GLN H 1 36 ALA MB . . 5.160 4.149 4.133 4.165 . 0 0 "[ . 1 . 2]" 1
714 1 35 GLN HA 1 35 GLN HG2 . . 3.850 3.123 2.316 3.797 . 0 0 "[ . 1 . 2]" 1
715 1 35 GLN HA 1 35 GLN QG . . 3.370 2.876 2.274 3.341 . 0 0 "[ . 1 . 2]" 1
716 1 35 GLN HA 1 35 GLN HG3 . . 3.850 3.495 2.856 3.822 . 0 0 "[ . 1 . 2]" 1
717 1 35 GLN QB 1 35 GLN QG . . 2.350 2.076 1.994 2.091 . 0 0 "[ . 1 . 2]" 1
718 1 35 GLN HB2 1 35 GLN HE22 . . 5.500 4.464 3.731 5.100 . 0 0 "[ . 1 . 2]" 1
719 1 35 GLN HB3 1 35 GLN HE22 . . 5.500 4.230 3.625 4.776 . 0 0 "[ . 1 . 2]" 1
720 1 36 ALA H 1 36 ALA MB . . 3.580 2.043 2.030 2.069 . 0 0 "[ . 1 . 2]" 1
721 1 36 ALA H 1 41 VAL MG2 . . 5.500 5.432 5.330 5.501 0.001 6 0 "[ . 1 . 2]" 1
722 1 36 ALA HA 1 37 ASP H . . 2.490 2.462 2.379 2.483 . 0 0 "[ . 1 . 2]" 1
723 1 36 ALA HA 1 37 ASP HA . . 4.660 4.482 4.459 4.515 . 0 0 "[ . 1 . 2]" 1
724 1 36 ALA HA 1 37 ASP HB2 . . 5.500 4.869 4.070 4.960 . 0 0 "[ . 1 . 2]" 1
725 1 36 ALA HA 1 37 ASP QB . . 4.660 4.563 3.970 4.626 . 0 0 "[ . 1 . 2]" 1
726 1 36 ALA HA 1 37 ASP HB3 . . 5.500 5.526 5.522 5.532 0.032 5 0 "[ . 1 . 2]" 1
727 1 36 ALA HA 1 40 THR H . . 5.500 5.491 5.461 5.502 0.002 7 0 "[ . 1 . 2]" 1
728 1 36 ALA HA 1 41 VAL MG2 . . 5.310 4.503 4.239 4.716 . 0 0 "[ . 1 . 2]" 1
729 1 36 ALA MB 1 37 ASP H . . 3.240 2.456 2.385 2.602 . 0 0 "[ . 1 . 2]" 1
730 1 36 ALA MB 1 37 ASP HA . . 4.840 3.862 3.818 3.913 . 0 0 "[ . 1 . 2]" 1
731 1 36 ALA MB 1 40 THR HB . . 3.410 2.946 2.652 3.267 . 0 0 "[ . 1 . 2]" 1
732 1 36 ALA MB 1 40 THR MG . . 3.000 2.989 2.950 3.006 0.006 18 0 "[ . 1 . 2]" 1
733 1 36 ALA MB 1 41 VAL MG1 . . 5.180 4.464 4.321 4.588 . 0 0 "[ . 1 . 2]" 1
734 1 36 ALA MB 1 41 VAL MG2 . . 3.190 2.556 2.402 2.638 . 0 0 "[ . 1 . 2]" 1
735 1 37 ASP H 1 37 ASP QB . . 3.050 2.903 2.570 2.974 . 0 0 "[ . 1 . 2]" 1
736 1 37 ASP H 1 40 THR HB . . 3.460 2.011 1.947 2.157 . 0 0 "[ . 1 . 2]" 1
737 1 37 ASP HA 1 38 THR HA . . 4.650 4.299 4.291 4.335 . 0 0 "[ . 1 . 2]" 1
738 1 37 ASP HA 1 40 THR H . . 5.500 4.654 4.497 4.777 . 0 0 "[ . 1 . 2]" 1
739 1 37 ASP QB 1 39 ASN H . . 3.970 2.510 2.349 2.822 . 0 0 "[ . 1 . 2]" 1
740 1 37 ASP QB 1 40 THR H . . 3.590 2.372 2.251 2.862 . 0 0 "[ . 1 . 2]" 1
741 1 37 ASP QB 1 40 THR HB . . 4.740 3.672 3.310 4.000 . 0 0 "[ . 1 . 2]" 1
742 1 37 ASP QB 1 41 VAL H . . 4.640 4.280 4.108 4.426 . 0 0 "[ . 1 . 2]" 1
743 1 37 ASP HB2 1 38 THR H . . 5.500 3.184 2.606 3.669 . 0 0 "[ . 1 . 2]" 1
744 1 37 ASP HB2 1 38 THR HB . . 5.500 4.902 4.632 5.518 0.018 12 0 "[ . 1 . 2]" 1
745 1 37 ASP HB3 1 38 THR H . . 5.500 2.519 2.170 2.722 . 0 0 "[ . 1 . 2]" 1
746 1 37 ASP HB3 1 38 THR HB . . 5.500 4.554 3.862 4.691 . 0 0 "[ . 1 . 2]" 1
747 1 38 THR H 1 39 ASN H . . 4.770 2.717 2.406 2.893 . 0 0 "[ . 1 . 2]" 1
748 1 38 THR HA 1 39 ASN HA . . 5.500 4.697 4.652 4.767 . 0 0 "[ . 1 . 2]" 1
749 1 38 THR HA 1 41 VAL H . . 4.190 4.068 3.890 4.193 0.003 13 0 "[ . 1 . 2]" 1
750 1 38 THR HA 1 41 VAL HB . . 3.900 3.546 3.192 3.900 0.000 11 0 "[ . 1 . 2]" 1
751 1 38 THR HA 1 41 VAL MG2 . . 5.000 2.915 2.609 3.285 . 0 0 "[ . 1 . 2]" 1
752 1 38 THR HA 1 42 LEU MD1 . . 4.440 4.109 3.709 4.254 . 0 0 "[ . 1 . 2]" 1
753 1 38 THR HB 1 39 ASN H . . 3.420 2.817 2.347 2.983 . 0 0 "[ . 1 . 2]" 1
754 1 38 THR HB 1 39 ASN HB2 . . 5.500 4.832 3.916 5.494 . 0 0 "[ . 1 . 2]" 1
755 1 38 THR HB 1 39 ASN HB3 . . 5.500 5.148 4.001 5.499 . 0 0 "[ . 1 . 2]" 1
756 1 38 THR HB 1 40 THR H . . 5.500 5.229 4.909 5.394 . 0 0 "[ . 1 . 2]" 1
757 1 38 THR MG 1 39 ASN H . . 4.400 3.754 3.214 3.904 . 0 0 "[ . 1 . 2]" 1
758 1 38 THR MG 1 39 ASN HA . . 4.310 3.760 3.417 3.958 . 0 0 "[ . 1 . 2]" 1
759 1 38 THR MG 1 42 LEU MD1 . . 2.400 2.291 1.961 2.401 0.001 16 0 "[ . 1 . 2]" 1
760 1 38 THR MG 1 42 LEU HG . . 4.160 3.578 3.269 3.856 . 0 0 "[ . 1 . 2]" 1
761 1 39 ASN H 1 39 ASN QB . . 3.070 2.492 2.211 2.696 . 0 0 "[ . 1 . 2]" 1
762 1 39 ASN H 1 39 ASN QD . . 4.620 3.752 2.426 4.604 . 0 0 "[ . 1 . 2]" 1
763 1 39 ASN H 1 40 THR H . . 3.430 2.493 2.274 2.720 . 0 0 "[ . 1 . 2]" 1
764 1 39 ASN H 1 42 LEU MD1 . . 4.630 4.228 3.719 4.418 . 0 0 "[ . 1 . 2]" 1
765 1 39 ASN HA 1 41 VAL H . . 4.710 4.602 4.502 4.715 0.005 12 0 "[ . 1 . 2]" 1
766 1 39 ASN HA 1 42 LEU H . . 3.930 3.722 3.600 3.835 . 0 0 "[ . 1 . 2]" 1
767 1 39 ASN HA 1 42 LEU HB2 . . 3.800 3.106 2.893 3.360 . 0 0 "[ . 1 . 2]" 1
768 1 39 ASN HA 1 42 LEU HB3 . . 5.090 4.715 4.534 4.943 . 0 0 "[ . 1 . 2]" 1
769 1 39 ASN HA 1 42 LEU MD1 . . 3.960 2.183 1.963 2.376 . 0 0 "[ . 1 . 2]" 1
770 1 39 ASN HA 1 42 LEU HG . . 4.170 3.894 3.723 4.110 . 0 0 "[ . 1 . 2]" 1
771 1 39 ASN HA 1 43 GLY H . . 4.890 4.088 3.831 4.338 . 0 0 "[ . 1 . 2]" 1
772 1 39 ASN QB 1 40 THR H . . 3.650 2.523 2.267 3.467 . 0 0 "[ . 1 . 2]" 1
773 1 40 THR H 1 40 THR HB . . 3.040 2.799 2.535 3.031 . 0 0 "[ . 1 . 2]" 1
774 1 40 THR H 1 40 THR MG . . 4.040 3.704 3.608 3.768 . 0 0 "[ . 1 . 2]" 1
775 1 40 THR H 1 41 VAL H . . 3.030 2.891 2.735 2.956 . 0 0 "[ . 1 . 2]" 1
776 1 40 THR H 1 41 VAL MG2 . . 4.650 4.231 4.050 4.337 . 0 0 "[ . 1 . 2]" 1
777 1 40 THR HA 1 40 THR MG . . 3.390 2.275 2.177 2.359 . 0 0 "[ . 1 . 2]" 1
778 1 40 THR HA 1 41 VAL HA . . 5.450 4.853 4.836 4.865 . 0 0 "[ . 1 . 2]" 1
779 1 40 THR HA 1 43 GLY H . . 3.980 3.680 3.581 3.768 . 0 0 "[ . 1 . 2]" 1
780 1 40 THR HA 1 43 GLY HA2 . . 5.500 5.489 5.410 5.504 0.004 11 0 "[ . 1 . 2]" 1
781 1 40 THR HA 1 43 GLY HA3 . . 4.010 3.876 3.785 3.909 . 0 0 "[ . 1 . 2]" 1
782 1 40 THR HA 1 44 GLU H . . 5.500 4.151 4.086 4.196 . 0 0 "[ . 1 . 2]" 1
783 1 40 THR HB 1 41 VAL H . . 3.050 2.388 2.274 2.508 . 0 0 "[ . 1 . 2]" 1
784 1 40 THR HB 1 41 VAL MG2 . . 5.100 3.086 2.925 3.212 . 0 0 "[ . 1 . 2]" 1
785 1 40 THR MG 1 41 VAL H . . 4.010 3.575 3.359 3.789 . 0 0 "[ . 1 . 2]" 1
786 1 40 THR MG 1 41 VAL HA . . 5.500 3.882 3.525 4.275 . 0 0 "[ . 1 . 2]" 1
787 1 40 THR MG 1 43 GLY H . . 5.500 4.844 4.671 5.030 . 0 0 "[ . 1 . 2]" 1
788 1 41 VAL H 1 41 VAL HB . . 2.890 2.679 2.656 2.689 . 0 0 "[ . 1 . 2]" 1
789 1 41 VAL H 1 41 VAL MG1 . . 4.170 3.758 3.756 3.762 . 0 0 "[ . 1 . 2]" 1
790 1 41 VAL H 1 41 VAL MG2 . . 2.870 2.066 2.039 2.109 . 0 0 "[ . 1 . 2]" 1
791 1 41 VAL H 1 42 LEU H . . 3.050 2.959 2.911 2.999 . 0 0 "[ . 1 . 2]" 1
792 1 41 VAL H 1 42 LEU HB2 . . 5.480 5.080 5.058 5.132 . 0 0 "[ . 1 . 2]" 1
793 1 41 VAL H 1 42 LEU HG . . 4.800 4.696 4.586 4.801 0.001 11 0 "[ . 1 . 2]" 1
794 1 41 VAL HA 1 41 VAL MG2 . . 3.600 2.385 2.359 2.400 . 0 0 "[ . 1 . 2]" 1
795 1 41 VAL HA 1 42 LEU HA . . 4.970 4.815 4.784 4.828 . 0 0 "[ . 1 . 2]" 1
796 1 41 VAL HA 1 43 GLY H . . 5.470 4.699 4.612 4.826 . 0 0 "[ . 1 . 2]" 1
797 1 41 VAL HA 1 44 GLU H . . 4.940 3.697 3.623 3.751 . 0 0 "[ . 1 . 2]" 1
798 1 41 VAL HA 1 44 GLU QB . . 4.080 3.047 2.871 3.196 . 0 0 "[ . 1 . 2]" 1
799 1 41 VAL HA 1 44 GLU QG . . 5.230 2.926 2.781 3.066 . 0 0 "[ . 1 . 2]" 1
800 1 41 VAL HA 1 45 LEU H . . 5.260 4.705 4.523 4.834 . 0 0 "[ . 1 . 2]" 1
801 1 41 VAL HA 1 45 LEU HG . . 5.500 4.404 4.233 4.564 . 0 0 "[ . 1 . 2]" 1
802 1 41 VAL HB 1 42 LEU H . . 3.160 2.253 2.175 2.352 . 0 0 "[ . 1 . 2]" 1
803 1 41 VAL HB 1 42 LEU HA . . 5.160 4.102 4.082 4.125 . 0 0 "[ . 1 . 2]" 1
804 1 41 VAL HB 1 42 LEU MD1 . . 5.140 4.320 4.207 4.424 . 0 0 "[ . 1 . 2]" 1
805 1 41 VAL HB 1 42 LEU MD2 . . 5.500 4.276 4.147 4.359 . 0 0 "[ . 1 . 2]" 1
806 1 41 VAL HB 1 42 LEU HG . . 3.120 3.119 3.069 3.126 0.006 15 0 "[ . 1 . 2]" 1
807 1 41 VAL MG1 1 42 LEU H . . 4.290 3.263 3.176 3.372 . 0 0 "[ . 1 . 2]" 1
808 1 41 VAL MG1 1 42 LEU HA . . 4.650 3.435 3.366 3.514 . 0 0 "[ . 1 . 2]" 1
809 1 41 VAL MG1 1 45 LEU H . . 4.670 4.495 4.340 4.613 . 0 0 "[ . 1 . 2]" 1
810 1 41 VAL MG2 1 42 LEU H . . 3.660 3.641 3.601 3.668 0.008 12 0 "[ . 1 . 2]" 1
811 1 42 LEU H 1 42 LEU HB2 . . 3.140 2.574 2.518 2.630 . 0 0 "[ . 1 . 2]" 1
812 1 42 LEU H 1 42 LEU HB3 . . 3.770 3.585 3.581 3.587 . 0 0 "[ . 1 . 2]" 1
813 1 42 LEU H 1 42 LEU MD1 . . 4.130 3.198 3.099 3.296 . 0 0 "[ . 1 . 2]" 1
814 1 42 LEU H 1 42 LEU MD2 . . 4.730 3.569 3.461 3.681 . 0 0 "[ . 1 . 2]" 1
815 1 42 LEU H 1 42 LEU HG . . 3.010 2.100 2.020 2.214 . 0 0 "[ . 1 . 2]" 1
816 1 42 LEU H 1 43 GLY H . . 3.360 2.866 2.791 2.891 . 0 0 "[ . 1 . 2]" 1
817 1 42 LEU H 1 44 GLU H . . 4.860 4.339 4.012 4.490 . 0 0 "[ . 1 . 2]" 1
818 1 42 LEU HA 1 42 LEU MD2 . . 3.320 2.345 2.240 2.511 . 0 0 "[ . 1 . 2]" 1
819 1 42 LEU HA 1 42 LEU HG . . 3.900 2.882 2.833 2.950 . 0 0 "[ . 1 . 2]" 1
820 1 42 LEU HA 1 45 LEU H . . 3.790 3.563 3.455 3.618 . 0 0 "[ . 1 . 2]" 1
821 1 42 LEU HA 1 45 LEU HB2 . . 3.590 3.290 2.993 3.482 . 0 0 "[ . 1 . 2]" 1
822 1 42 LEU HA 1 45 LEU MD1 . . 3.900 2.688 2.484 2.891 . 0 0 "[ . 1 . 2]" 1
823 1 42 LEU HA 1 45 LEU HG . . 3.640 3.467 3.374 3.532 . 0 0 "[ . 1 . 2]" 1
824 1 42 LEU HA 1 46 VAL MG2 . . 4.380 3.696 3.624 3.773 . 0 0 "[ . 1 . 2]" 1
825 1 42 LEU HB2 1 42 LEU MD1 . . 3.640 2.025 1.961 2.091 . 0 0 "[ . 1 . 2]" 1
826 1 42 LEU HB2 1 42 LEU HG . . 2.790 2.631 2.596 2.671 . 0 0 "[ . 1 . 2]" 1
827 1 42 LEU HB2 1 43 GLY H . . 3.730 2.371 2.297 2.421 . 0 0 "[ . 1 . 2]" 1
828 1 42 LEU HB2 1 43 GLY HA2 . . 5.270 4.162 4.113 4.204 . 0 0 "[ . 1 . 2]" 1
829 1 42 LEU HB3 1 43 GLY H . . 4.080 3.499 3.437 3.607 . 0 0 "[ . 1 . 2]" 1
830 1 42 LEU HB3 1 45 LEU H . . 5.290 5.245 5.147 5.292 0.002 7 0 "[ . 1 . 2]" 1
831 1 42 LEU MD2 1 43 GLY H . . 4.830 4.735 4.694 4.778 . 0 0 "[ . 1 . 2]" 1
832 1 43 GLY H 1 44 GLU H . . 3.780 2.870 2.737 2.924 . 0 0 "[ . 1 . 2]" 1
833 1 43 GLY H 1 45 LEU HG . . 5.500 5.500 5.478 5.507 0.007 19 0 "[ . 1 . 2]" 1
834 1 43 GLY H 1 46 VAL MG2 . . 3.980 3.667 3.470 3.925 . 0 0 "[ . 1 . 2]" 1
835 1 43 GLY HA2 1 46 VAL H . . 3.560 3.184 3.057 3.324 . 0 0 "[ . 1 . 2]" 1
836 1 43 GLY HA2 1 46 VAL HB . . 5.010 2.361 2.210 2.585 . 0 0 "[ . 1 . 2]" 1
837 1 43 GLY HA2 1 46 VAL MG1 . . 4.260 3.730 3.604 3.894 . 0 0 "[ . 1 . 2]" 1
838 1 43 GLY HA2 1 46 VAL MG2 . . 3.700 2.173 1.971 2.551 . 0 0 "[ . 1 . 2]" 1
839 1 43 GLY HA3 1 44 GLU QG . . 5.500 4.158 3.975 4.423 . 0 0 "[ . 1 . 2]" 1
840 1 43 GLY HA3 1 46 VAL H . . 4.840 4.355 4.254 4.509 . 0 0 "[ . 1 . 2]" 1
841 1 43 GLY HA3 1 46 VAL HB . . 4.220 3.921 3.778 4.117 . 0 0 "[ . 1 . 2]" 1
842 1 43 GLY HA3 1 46 VAL MG1 . . 5.370 5.070 4.928 5.253 . 0 0 "[ . 1 . 2]" 1
843 1 43 GLY HA3 1 46 VAL MG2 . . 4.560 3.717 3.513 4.057 . 0 0 "[ . 1 . 2]" 1
844 1 44 GLU H 1 44 GLU HB2 . . 3.900 2.486 2.378 2.575 . 0 0 "[ . 1 . 2]" 1
845 1 44 GLU H 1 44 GLU QB . . 3.320 2.443 2.345 2.521 . 0 0 "[ . 1 . 2]" 1
846 1 44 GLU H 1 44 GLU HB3 . . 3.900 3.588 3.581 3.593 . 0 0 "[ . 1 . 2]" 1
847 1 44 GLU H 1 44 GLU QG . . 4.050 2.176 2.028 2.448 . 0 0 "[ . 1 . 2]" 1
848 1 44 GLU H 1 45 LEU H . . 3.090 2.771 2.562 2.817 . 0 0 "[ . 1 . 2]" 1
849 1 44 GLU HA 1 44 GLU QG . . 3.710 2.742 2.567 2.977 . 0 0 "[ . 1 . 2]" 1
850 1 44 GLU HA 1 46 VAL H . . 4.680 4.347 4.266 4.430 . 0 0 "[ . 1 . 2]" 1
851 1 44 GLU QB 1 45 LEU H . . 3.150 2.598 2.511 2.701 . 0 0 "[ . 1 . 2]" 1
852 1 44 GLU QB 1 45 LEU MD2 . . 4.470 3.326 3.225 3.555 . 0 0 "[ . 1 . 2]" 1
853 1 44 GLU HB2 1 45 LEU H . . 3.670 2.661 2.562 2.780 . 0 0 "[ . 1 . 2]" 1
854 1 44 GLU HB2 1 46 VAL H . . 5.500 4.859 4.815 4.901 . 0 0 "[ . 1 . 2]" 1
855 1 44 GLU HB3 1 45 LEU H . . 3.670 3.642 3.574 3.671 0.001 12 0 "[ . 1 . 2]" 1
856 1 44 GLU HB3 1 46 VAL H . . 5.500 5.491 5.451 5.505 0.005 19 0 "[ . 1 . 2]" 1
857 1 44 GLU QG 1 45 LEU H . . 4.360 4.090 3.958 4.205 . 0 0 "[ . 1 . 2]" 1
858 1 44 GLU QG 1 45 LEU HG . . 4.770 4.769 4.752 4.777 0.007 19 0 "[ . 1 . 2]" 1
859 1 45 LEU H 1 45 LEU HB2 . . 2.900 2.625 2.561 2.672 . 0 0 "[ . 1 . 2]" 1
860 1 45 LEU H 1 45 LEU HB3 . . 3.640 3.615 3.597 3.641 0.001 4 0 "[ . 1 . 2]" 1
861 1 45 LEU H 1 45 LEU MD1 . . 4.060 3.484 3.404 3.607 . 0 0 "[ . 1 . 2]" 1
862 1 45 LEU H 1 45 LEU MD2 . . 4.180 3.329 3.174 3.427 . 0 0 "[ . 1 . 2]" 1
863 1 45 LEU H 1 45 LEU HG . . 3.080 2.106 2.038 2.152 . 0 0 "[ . 1 . 2]" 1
864 1 45 LEU H 1 46 VAL H . . 2.550 2.398 2.271 2.516 . 0 0 "[ . 1 . 2]" 1
865 1 45 LEU H 1 46 VAL MG2 . . 4.310 3.866 3.691 3.978 . 0 0 "[ . 1 . 2]" 1
866 1 45 LEU HA 1 45 LEU MD1 . . 4.240 3.957 3.906 3.980 . 0 0 "[ . 1 . 2]" 1
867 1 45 LEU HA 1 45 LEU MD2 . . 3.200 2.276 2.060 2.506 . 0 0 "[ . 1 . 2]" 1
868 1 45 LEU HA 1 45 LEU HG . . 3.350 3.175 3.114 3.219 . 0 0 "[ . 1 . 2]" 1
869 1 45 LEU HA 1 47 LYS H . . 4.970 4.056 3.705 4.395 . 0 0 "[ . 1 . 2]" 1
870 1 45 LEU HA 1 48 HIS H . . 5.070 3.545 3.084 3.901 . 0 0 "[ . 1 . 2]" 1
871 1 45 LEU HB2 1 46 VAL H . . 3.440 2.853 2.791 2.965 . 0 0 "[ . 1 . 2]" 1
872 1 45 LEU HB2 1 46 VAL HA . . 5.500 4.133 4.050 4.212 . 0 0 "[ . 1 . 2]" 1
873 1 45 LEU HB2 1 47 LYS H . . 5.270 5.051 4.864 5.272 0.002 18 0 "[ . 1 . 2]" 1
874 1 45 LEU HB3 1 46 VAL H . . 4.870 3.992 3.905 4.096 . 0 0 "[ . 1 . 2]" 1
875 1 45 LEU MD1 1 46 VAL H . . 5.210 4.469 4.367 4.600 . 0 0 "[ . 1 . 2]" 1
876 1 45 LEU MD2 1 46 VAL H . . 4.970 4.717 4.643 4.772 . 0 0 "[ . 1 . 2]" 1
877 1 45 LEU HG 1 46 VAL H . . 4.900 4.125 4.024 4.238 . 0 0 "[ . 1 . 2]" 1
878 1 46 VAL H 1 46 VAL HB . . 3.190 2.527 2.505 2.561 . 0 0 "[ . 1 . 2]" 1
879 1 46 VAL H 1 46 VAL MG1 . . 3.790 3.765 3.762 3.769 . 0 0 "[ . 1 . 2]" 1
880 1 46 VAL H 1 46 VAL MG2 . . 2.990 2.282 2.138 2.362 . 0 0 "[ . 1 . 2]" 1
881 1 46 VAL H 1 47 LYS H . . 3.290 2.598 2.467 2.795 . 0 0 "[ . 1 . 2]" 1
882 1 46 VAL H 1 47 LYS QB . . 5.120 4.529 4.315 4.937 . 0 0 "[ . 1 . 2]" 1
883 1 46 VAL HA 1 46 VAL MG1 . . 3.680 2.325 2.303 2.371 . 0 0 "[ . 1 . 2]" 1
884 1 46 VAL HA 1 46 VAL MG2 . . 3.560 2.341 2.291 2.377 . 0 0 "[ . 1 . 2]" 1
885 1 46 VAL HA 1 47 LYS QB . . 5.500 5.349 5.277 5.486 . 0 0 "[ . 1 . 2]" 1
886 1 46 VAL HB 1 47 LYS H . . 4.590 2.836 2.491 3.024 . 0 0 "[ . 1 . 2]" 1
887 1 46 VAL HB 1 47 LYS QB . . 4.210 4.175 4.086 4.230 0.020 19 0 "[ . 1 . 2]" 1
888 1 46 VAL MG1 1 47 LYS H . . 4.640 3.626 3.369 3.755 . 0 0 "[ . 1 . 2]" 1
889 1 46 VAL MG1 1 47 LYS HA . . 4.430 3.690 3.518 3.866 . 0 0 "[ . 1 . 2]" 1
890 1 46 VAL MG1 1 47 LYS HG2 . . 3.930 3.477 2.560 3.957 0.027 19 0 "[ . 1 . 2]" 1
891 1 46 VAL MG1 1 47 LYS QG . . 3.450 3.131 2.529 3.448 . 0 0 "[ . 1 . 2]" 1
892 1 46 VAL MG1 1 47 LYS HG3 . . 3.930 3.802 2.560 3.934 0.004 4 0 "[ . 1 . 2]" 1
893 1 46 VAL MG2 1 47 LYS H . . 5.140 3.923 3.806 3.998 . 0 0 "[ . 1 . 2]" 1
894 1 47 LYS H 1 47 LYS QB . . 3.490 2.298 2.170 2.531 . 0 0 "[ . 1 . 2]" 1
895 1 47 LYS H 1 47 LYS QD . . 5.140 4.545 2.458 4.932 . 0 0 "[ . 1 . 2]" 1
896 1 47 LYS H 1 47 LYS QG . . 4.030 3.137 2.730 3.325 . 0 0 "[ . 1 . 2]" 1
897 1 47 LYS H 1 48 HIS H . . 4.490 2.257 1.899 2.530 . 0 0 "[ . 1 . 2]" 1
898 1 47 LYS HA 1 47 LYS QD . . 3.690 3.420 2.500 3.694 0.004 10 0 "[ . 1 . 2]" 1
899 1 47 LYS HA 1 47 LYS QE . . 4.490 4.177 3.051 4.494 0.004 19 0 "[ . 1 . 2]" 1
900 1 47 LYS HA 1 47 LYS HG2 . . 3.840 2.315 2.116 3.456 . 0 0 "[ . 1 . 2]" 1
901 1 47 LYS HA 1 47 LYS QG . . 3.340 2.227 2.087 2.534 . 0 0 "[ . 1 . 2]" 1
902 1 47 LYS HA 1 47 LYS HG3 . . 3.840 3.307 2.389 3.732 . 0 0 "[ . 1 . 2]" 1
903 1 47 LYS HA 1 49 GLY H . . 5.490 4.505 4.114 5.410 . 0 0 "[ . 1 . 2]" 1
904 1 47 LYS QB 1 47 LYS QD . . 2.960 2.111 1.953 2.269 . 0 0 "[ . 1 . 2]" 1
905 1 47 LYS QB 1 47 LYS QE . . 3.820 3.109 2.097 3.715 . 0 0 "[ . 1 . 2]" 1
906 1 47 LYS QB 1 48 HIS H . . 4.680 2.559 2.243 2.932 . 0 0 "[ . 1 . 2]" 1
907 1 47 LYS QB 1 49 GLY H . . 4.920 4.375 2.562 4.919 . 0 0 "[ . 1 . 2]" 1
908 1 48 HIS QB 1 49 GLY H . . 4.270 3.497 2.141 4.047 . 0 0 "[ . 1 . 2]" 1
909 1 48 HIS HB2 1 49 GLY H . . 5.130 4.204 2.719 4.660 . 0 0 "[ . 1 . 2]" 1
910 1 48 HIS HB3 1 49 GLY H . . 5.130 3.850 2.162 4.452 . 0 0 "[ . 1 . 2]" 1
stop_
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