NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
400937 |
1v86   |
10112 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1v86
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 978
_Distance_constraint_stats_list.Viol_count 1492
_Distance_constraint_stats_list.Viol_total 1800.749
_Distance_constraint_stats_list.Viol_max 0.957
_Distance_constraint_stats_list.Viol_rms 0.0350
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0046
_Distance_constraint_stats_list.Viol_average_violations_only 0.0603
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 12 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 VAL 0.239 0.132 17 0 "[ . 1 . 2]"
1 14 GLY 0.000 0.000 20 0 "[ . 1 . 2]"
1 15 LYS 5.507 0.536 11 2 "[ . 1+- . 2]"
1 16 GLU 3.875 0.332 9 0 "[ . 1 . 2]"
1 17 LEU 8.268 0.569 19 3 "[ . 1 *- +2]"
1 18 VAL 0.299 0.053 19 0 "[ . 1 . 2]"
1 19 ASP 0.099 0.020 5 0 "[ . 1 . 2]"
1 20 LEU 0.091 0.020 5 0 "[ . 1 . 2]"
1 21 LYS 0.071 0.012 6 0 "[ . 1 . 2]"
1 22 ILE 2.250 0.164 11 0 "[ . 1 . 2]"
1 23 ILE 2.117 0.582 9 2 "[ . +1- . 2]"
1 24 TRP 2.113 0.379 20 0 "[ . 1 . 2]"
1 25 ASN 2.027 0.379 20 0 "[ . 1 . 2]"
1 26 LYS 0.229 0.037 20 0 "[ . 1 . 2]"
1 27 THR 0.858 0.116 10 0 "[ . 1 . 2]"
1 28 LYS 0.264 0.076 8 0 "[ . 1 . 2]"
1 29 HIS 0.508 0.137 13 0 "[ . 1 . 2]"
1 30 ASP 3.415 0.488 6 0 "[ . 1 . 2]"
1 31 VAL 5.742 0.488 6 0 "[ . 1 . 2]"
1 32 LYS 9.564 0.569 19 3 "[ . 1 *- +2]"
1 33 VAL 0.940 0.144 1 0 "[ . 1 . 2]"
1 34 PRO 2.415 0.144 1 0 "[ . 1 . 2]"
1 35 LEU 2.120 0.090 3 0 "[ . 1 . 2]"
1 36 ASP 0.025 0.007 19 0 "[ . 1 . 2]"
1 37 SER 0.042 0.022 16 0 "[ . 1 . 2]"
1 38 THR 0.001 0.001 11 0 "[ . 1 . 2]"
1 39 GLY 0.123 0.015 4 0 "[ . 1 . 2]"
1 40 SER 2.186 0.233 12 0 "[ . 1 . 2]"
1 41 GLU 1.959 0.233 12 0 "[ . 1 . 2]"
1 42 LEU 0.456 0.053 16 0 "[ . 1 . 2]"
1 43 LYS 1.504 0.425 13 0 "[ . 1 . 2]"
1 44 GLN 1.238 0.425 13 0 "[ . 1 . 2]"
1 45 LYS 0.343 0.076 16 0 "[ . 1 . 2]"
1 46 ILE 1.068 0.054 16 0 "[ . 1 . 2]"
1 47 HIS 0.962 0.104 20 0 "[ . 1 . 2]"
1 48 SER 0.686 0.104 20 0 "[ . 1 . 2]"
1 49 ILE 1.029 0.073 19 0 "[ . 1 . 2]"
1 50 THR 0.492 0.078 19 0 "[ . 1 . 2]"
1 51 GLY 0.705 0.073 19 0 "[ . 1 . 2]"
1 52 LEU 2.354 0.135 14 0 "[ . 1 . 2]"
1 53 PRO 3.468 0.239 8 0 "[ . 1 . 2]"
1 54 PRO 1.135 0.183 16 0 "[ . 1 . 2]"
1 55 ALA 3.653 0.720 8 1 "[ . + 1 . 2]"
1 56 MET 6.228 0.818 13 7 "[- ** * 1 *+ .* 2]"
1 57 GLN 1.879 0.183 16 0 "[ . 1 . 2]"
1 58 LYS 2.896 0.501 1 1 "[+ . 1 . 2]"
1 59 VAL 0.677 0.190 11 0 "[ . 1 . 2]"
1 60 MET 0.167 0.019 17 0 "[ . 1 . 2]"
1 61 TYR 1.515 0.778 14 2 "[ - 1 +. 2]"
1 62 LYS 2.185 0.778 14 2 "[ - 1 +. 2]"
1 63 GLY 0.004 0.003 5 0 "[ . 1 . 2]"
1 64 LEU 6.864 0.204 19 0 "[ . 1 . 2]"
1 65 VAL 4.984 0.204 19 0 "[ . 1 . 2]"
1 66 PRO 0.911 0.058 17 0 "[ . 1 . 2]"
1 67 GLU 0.627 0.046 12 0 "[ . 1 . 2]"
1 68 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 LYS 0.487 0.171 17 0 "[ . 1 . 2]"
1 70 THR 0.545 0.103 18 0 "[ . 1 . 2]"
1 71 LEU 2.390 0.149 17 0 "[ . 1 . 2]"
1 72 ARG 5.133 0.745 8 6 "[ **. +*1- * 2]"
1 73 GLU 0.580 0.171 17 0 "[ . 1 . 2]"
1 74 ILE 4.310 0.186 12 0 "[ . 1 . 2]"
1 75 LYS 3.927 0.957 8 1 "[ . + 1 . 2]"
1 76 VAL 1.961 0.149 17 0 "[ . 1 . 2]"
1 77 THR 0.367 0.054 12 0 "[ . 1 . 2]"
1 78 SER 0.241 0.053 19 0 "[ . 1 . 2]"
1 79 GLY 0.208 0.043 19 0 "[ . 1 . 2]"
1 80 ALA 0.288 0.054 4 0 "[ . 1 . 2]"
1 81 LYS 1.772 0.582 9 1 "[ . +1 . 2]"
1 82 ILE 0.803 0.511 11 1 "[ . 1+ . 2]"
1 83 MET 0.020 0.015 20 0 "[ . 1 . 2]"
1 84 VAL 0.252 0.024 16 0 "[ . 1 . 2]"
1 85 VAL 2.443 0.889 10 2 "[ . + - . 2]"
1 86 GLY 1.873 0.889 10 2 "[ . + - . 2]"
1 87 SER 1.701 0.298 16 0 "[ . 1 . 2]"
1 88 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 ILE 1.884 0.319 3 0 "[ . 1 . 2]"
1 90 SER 0.412 0.100 14 0 "[ . 1 . 2]"
1 91 GLY 0.001 0.001 13 0 "[ . 1 . 2]"
1 92 PRO 0.001 0.001 13 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 12 GLY QA 1 13 VAL H . . 3.510 2.265 2.176 2.427 . 0 0 "[ . 1 . 2]" 1
2 1 13 VAL H 1 13 VAL HB . . 3.730 3.194 2.406 3.862 0.132 17 0 "[ . 1 . 2]" 1
3 1 13 VAL H 1 13 VAL QG . . 3.730 2.301 1.806 2.861 . 0 0 "[ . 1 . 2]" 1
4 1 13 VAL H 1 14 GLY H . . 4.740 4.262 2.959 4.674 . 0 0 "[ . 1 . 2]" 1
5 1 13 VAL HA 1 14 GLY H . . 3.310 2.338 2.185 2.890 . 0 0 "[ . 1 . 2]" 1
6 1 13 VAL HB 1 14 GLY H . . 4.870 3.804 2.046 4.563 . 0 0 "[ . 1 . 2]" 1
7 1 13 VAL QG 1 14 GLY H . . 4.510 2.786 2.014 3.581 . 0 0 "[ . 1 . 2]" 1
8 1 14 GLY H 1 15 LYS H . . 4.060 3.471 2.716 4.060 0.000 20 0 "[ . 1 . 2]" 1
9 1 14 GLY QA 1 15 LYS H . . 3.270 2.350 2.180 2.602 . 0 0 "[ . 1 . 2]" 1
10 1 15 LYS H 1 15 LYS HB2 . . 3.440 3.108 2.642 3.976 0.536 11 2 "[ . 1+- . 2]" 1
11 1 15 LYS H 1 15 LYS HB3 . . 4.050 3.690 3.168 4.081 0.031 16 0 "[ . 1 . 2]" 1
12 1 15 LYS H 1 15 LYS HG2 . . 4.380 3.397 2.088 4.307 . 0 0 "[ . 1 . 2]" 1
13 1 15 LYS H 1 15 LYS HG3 . . 4.140 3.778 3.064 4.394 0.254 18 0 "[ . 1 . 2]" 1
14 1 15 LYS H 1 16 GLU H . . 4.160 4.173 4.042 4.316 0.156 7 0 "[ . 1 . 2]" 1
15 1 15 LYS HA 1 15 LYS HG2 . . 3.940 2.600 2.001 3.829 . 0 0 "[ . 1 . 2]" 1
16 1 15 LYS HA 1 15 LYS HG3 . . 3.630 3.424 2.620 3.926 0.296 9 0 "[ . 1 . 2]" 1
17 1 15 LYS HA 1 16 GLU H . . 3.100 2.422 2.176 3.090 . 0 0 "[ . 1 . 2]" 1
18 1 15 LYS HB2 1 16 GLU H . . 4.430 3.757 1.961 4.468 0.038 10 0 "[ . 1 . 2]" 1
19 1 15 LYS HB3 1 16 GLU H . . 4.100 3.272 1.918 4.432 0.332 9 0 "[ . 1 . 2]" 1
20 1 15 LYS QE 1 15 LYS HG3 . . 3.750 2.538 2.013 3.317 . 0 0 "[ . 1 . 2]" 1
21 1 15 LYS HG2 1 16 GLU H . . 5.390 4.055 2.611 5.220 . 0 0 "[ . 1 . 2]" 1
22 1 16 GLU H 1 16 GLU HB2 . . 3.530 2.431 2.019 3.619 0.089 16 0 "[ . 1 . 2]" 1
23 1 16 GLU H 1 16 GLU HB3 . . 3.600 2.887 2.327 3.390 . 0 0 "[ . 1 . 2]" 1
24 1 16 GLU H 1 16 GLU HG2 . . 4.520 4.154 1.922 4.527 0.007 14 0 "[ . 1 . 2]" 1
25 1 16 GLU H 1 16 GLU HG3 . . 4.330 3.975 3.051 4.537 0.207 6 0 "[ . 1 . 2]" 1
26 1 16 GLU HA 1 16 GLU HG2 . . 3.810 2.872 1.968 3.809 . 0 0 "[ . 1 . 2]" 1
27 1 16 GLU HA 1 16 GLU HG3 . . 3.700 2.673 2.026 3.817 0.117 16 0 "[ . 1 . 2]" 1
28 1 16 GLU HA 1 17 LEU H . . 2.690 2.284 2.202 2.738 0.048 16 0 "[ . 1 . 2]" 1
29 1 16 GLU HB2 1 16 GLU HG2 . . 2.980 2.982 2.630 3.056 0.076 8 0 "[ . 1 . 2]" 1
30 1 16 GLU HB3 1 17 LEU H . . 4.480 3.979 3.024 4.713 0.233 16 0 "[ . 1 . 2]" 1
31 1 16 GLU HG2 1 17 LEU H . . 4.550 3.506 2.409 4.484 . 0 0 "[ . 1 . 2]" 1
32 1 16 GLU HG3 1 17 LEU H . . 4.370 3.821 2.806 4.586 0.216 16 0 "[ . 1 . 2]" 1
33 1 17 LEU H 1 17 LEU HB2 . . 3.520 2.665 2.554 2.716 . 0 0 "[ . 1 . 2]" 1
34 1 17 LEU H 1 17 LEU HB3 . . 4.010 3.536 3.529 3.543 . 0 0 "[ . 1 . 2]" 1
35 1 17 LEU H 1 17 LEU MD1 . . 4.020 2.194 2.040 2.533 . 0 0 "[ . 1 . 2]" 1
36 1 17 LEU H 1 17 LEU MD2 . . 4.350 1.855 1.834 1.883 . 0 0 "[ . 1 . 2]" 1
37 1 17 LEU H 1 17 LEU HG . . 3.560 3.623 3.583 3.687 0.127 11 0 "[ . 1 . 2]" 1
38 1 17 LEU HA 1 17 LEU MD1 . . 2.860 2.007 1.960 2.069 . 0 0 "[ . 1 . 2]" 1
39 1 17 LEU HA 1 17 LEU MD2 . . 4.210 3.497 3.406 3.547 . 0 0 "[ . 1 . 2]" 1
40 1 17 LEU HA 1 17 LEU HG . . 3.950 3.616 3.610 3.632 . 0 0 "[ . 1 . 2]" 1
41 1 17 LEU HA 1 18 VAL H . . 3.180 2.354 2.309 2.487 . 0 0 "[ . 1 . 2]" 1
42 1 17 LEU HB2 1 17 LEU MD2 . . 3.400 2.029 2.015 2.069 . 0 0 "[ . 1 . 2]" 1
43 1 17 LEU HB2 1 18 VAL H . . 3.880 3.801 3.584 3.885 0.005 16 0 "[ . 1 . 2]" 1
44 1 17 LEU HB3 1 17 LEU MD1 . . 3.340 2.638 2.560 2.686 . 0 0 "[ . 1 . 2]" 1
45 1 17 LEU HB3 1 17 LEU MD2 . . 3.480 3.123 3.115 3.140 . 0 0 "[ . 1 . 2]" 1
46 1 17 LEU HB3 1 18 VAL H . . 3.790 2.763 2.451 2.888 . 0 0 "[ . 1 . 2]" 1
47 1 17 LEU HB3 1 32 LYS HB2 . . 3.530 3.119 2.877 3.303 . 0 0 "[ . 1 . 2]" 1
48 1 17 LEU HB3 1 32 LYS HB3 . . 4.540 4.585 4.331 4.731 0.191 4 0 "[ . 1 . 2]" 1
49 1 17 LEU MD1 1 18 VAL H . . 4.050 3.704 3.532 3.826 . 0 0 "[ . 1 . 2]" 1
50 1 17 LEU MD1 1 33 VAL HA . . 3.760 3.359 3.257 3.424 . 0 0 "[ . 1 . 2]" 1
51 1 17 LEU MD1 1 34 PRO HB3 . . 4.040 2.094 1.990 2.270 . 0 0 "[ . 1 . 2]" 1
52 1 17 LEU MD1 1 34 PRO HD2 . . 3.740 3.729 3.676 3.757 0.017 11 0 "[ . 1 . 2]" 1
53 1 17 LEU MD1 1 34 PRO HD3 . . 3.670 2.597 2.474 2.672 . 0 0 "[ . 1 . 2]" 1
54 1 17 LEU MD1 1 34 PRO HG2 . . 3.940 3.761 3.679 3.848 . 0 0 "[ . 1 . 2]" 1
55 1 17 LEU MD1 1 34 PRO HG3 . . 3.390 2.668 2.544 2.828 . 0 0 "[ . 1 . 2]" 1
56 1 17 LEU MD1 1 35 LEU H . . 4.500 4.169 3.961 4.343 . 0 0 "[ . 1 . 2]" 1
57 1 17 LEU MD2 1 32 LYS HB2 . . 3.750 3.301 3.162 3.475 . 0 0 "[ . 1 . 2]" 1
58 1 17 LEU MD2 1 32 LYS HB3 . . 4.370 4.294 4.138 4.381 0.011 6 0 "[ . 1 . 2]" 1
59 1 17 LEU MD2 1 32 LYS QD . . 3.260 2.228 1.945 2.818 . 0 0 "[ . 1 . 2]" 1
60 1 17 LEU MD2 1 32 LYS QE . . 3.580 2.644 2.024 3.059 . 0 0 "[ . 1 . 2]" 1
61 1 17 LEU MD2 1 32 LYS HG3 . . 4.060 2.216 2.043 2.447 . 0 0 "[ . 1 . 2]" 1
62 1 17 LEU HG 1 32 LYS HG2 . . 3.550 3.782 3.355 4.119 0.569 19 3 "[ . 1 *- +2]" 1
63 1 18 VAL H 1 18 VAL MG1 . . 3.280 1.961 1.913 2.053 . 0 0 "[ . 1 . 2]" 1
64 1 18 VAL H 1 18 VAL MG2 . . 3.740 3.719 3.702 3.760 0.020 4 0 "[ . 1 . 2]" 1
65 1 18 VAL H 1 33 VAL H . . 3.690 3.095 2.736 3.364 . 0 0 "[ . 1 . 2]" 1
66 1 18 VAL H 1 33 VAL MG2 . . 4.480 3.587 3.468 3.764 . 0 0 "[ . 1 . 2]" 1
67 1 18 VAL H 1 35 LEU H . . 4.900 4.108 3.858 4.412 . 0 0 "[ . 1 . 2]" 1
68 1 18 VAL H 1 35 LEU HB2 . . 4.780 4.694 4.504 4.784 0.004 13 0 "[ . 1 . 2]" 1
69 1 18 VAL HA 1 18 VAL MG1 . . 3.630 3.208 3.200 3.217 . 0 0 "[ . 1 . 2]" 1
70 1 18 VAL HA 1 18 VAL MG2 . . 3.150 2.472 2.356 2.534 . 0 0 "[ . 1 . 2]" 1
71 1 18 VAL HA 1 19 ASP H . . 3.340 2.293 2.249 2.364 . 0 0 "[ . 1 . 2]" 1
72 1 18 VAL HB 1 19 ASP H . . 4.070 4.030 3.941 4.076 0.006 7 0 "[ . 1 . 2]" 1
73 1 18 VAL HB 1 35 LEU HB2 . . 4.000 3.594 3.299 3.852 . 0 0 "[ . 1 . 2]" 1
74 1 18 VAL HB 1 35 LEU MD1 . . 3.600 2.578 2.035 2.995 . 0 0 "[ . 1 . 2]" 1
75 1 18 VAL HB 1 35 LEU MD2 . . 3.740 3.599 3.436 3.748 0.008 11 0 "[ . 1 . 2]" 1
76 1 18 VAL HB 1 78 SER HA . . 4.260 4.262 4.153 4.313 0.053 19 0 "[ . 1 . 2]" 1
77 1 18 VAL MG1 1 20 LEU MD1 . . 2.890 2.444 2.195 2.672 . 0 0 "[ . 1 . 2]" 1
78 1 18 VAL MG1 1 20 LEU HG . . 3.530 2.643 1.974 2.844 . 0 0 "[ . 1 . 2]" 1
79 1 18 VAL MG1 1 33 VAL H . . 3.810 2.888 2.757 3.091 . 0 0 "[ . 1 . 2]" 1
80 1 18 VAL MG1 1 33 VAL MG2 . . 2.750 2.310 2.140 2.404 . 0 0 "[ . 1 . 2]" 1
81 1 18 VAL MG1 1 35 LEU H . . 4.060 3.274 2.985 4.069 0.009 4 0 "[ . 1 . 2]" 1
82 1 18 VAL MG1 1 35 LEU HA . . 3.490 2.964 2.790 3.256 . 0 0 "[ . 1 . 2]" 1
83 1 18 VAL MG1 1 35 LEU HB2 . . 4.080 3.238 2.980 3.772 . 0 0 "[ . 1 . 2]" 1
84 1 18 VAL MG1 1 76 VAL MG1 . . 3.720 2.762 2.520 2.895 . 0 0 "[ . 1 . 2]" 1
85 1 18 VAL MG2 1 19 ASP H . . 3.430 2.265 1.957 2.438 . 0 0 "[ . 1 . 2]" 1
86 1 18 VAL MG2 1 19 ASP HB2 . . 4.530 3.794 3.561 4.112 . 0 0 "[ . 1 . 2]" 1
87 1 18 VAL MG2 1 19 ASP HB3 . . 4.820 4.370 3.887 4.700 . 0 0 "[ . 1 . 2]" 1
88 1 18 VAL MG2 1 20 LEU MD2 . . 2.610 2.202 1.869 2.503 . 0 0 "[ . 1 . 2]" 1
89 1 18 VAL MG2 1 20 LEU HG . . 3.680 2.848 2.582 3.436 . 0 0 "[ . 1 . 2]" 1
90 1 18 VAL MG2 1 76 VAL MG1 . . 3.510 2.606 2.184 3.080 . 0 0 "[ . 1 . 2]" 1
91 1 18 VAL MG2 1 78 SER H . . 4.160 2.945 2.526 3.330 . 0 0 "[ . 1 . 2]" 1
92 1 18 VAL MG2 1 78 SER HA . . 3.250 1.787 1.765 1.817 . 0 0 "[ . 1 . 2]" 1
93 1 18 VAL MG2 1 78 SER QB . . 3.960 2.566 2.157 3.374 . 0 0 "[ . 1 . 2]" 1
94 1 18 VAL MG2 1 79 GLY H . . 4.420 3.013 2.852 3.137 . 0 0 "[ . 1 . 2]" 1
95 1 19 ASP H 1 19 ASP HB2 . . 3.420 2.182 2.043 2.322 . 0 0 "[ . 1 . 2]" 1
96 1 19 ASP H 1 19 ASP HB3 . . 3.670 3.273 2.755 3.529 . 0 0 "[ . 1 . 2]" 1
97 1 19 ASP H 1 78 SER HA . . 3.760 2.576 1.948 2.997 . 0 0 "[ . 1 . 2]" 1
98 1 19 ASP H 1 79 GLY H . . 4.890 3.782 3.305 4.105 . 0 0 "[ . 1 . 2]" 1
99 1 19 ASP HA 1 20 LEU H . . 2.910 2.272 2.252 2.306 . 0 0 "[ . 1 . 2]" 1
100 1 19 ASP HA 1 20 LEU HG . . 3.870 3.816 3.609 3.879 0.009 15 0 "[ . 1 . 2]" 1
101 1 19 ASP HA 1 32 LYS HA . . 3.350 3.030 2.714 3.317 . 0 0 "[ . 1 . 2]" 1
102 1 19 ASP HA 1 33 VAL H . . 4.820 4.170 3.991 4.356 . 0 0 "[ . 1 . 2]" 1
103 1 19 ASP HB2 1 20 LEU H . . 4.520 4.453 4.305 4.540 0.020 5 0 "[ . 1 . 2]" 1
104 1 19 ASP HB2 1 78 SER QB . . 4.370 3.160 2.045 4.171 . 0 0 "[ . 1 . 2]" 1
105 1 19 ASP HB2 1 79 GLY H . . 4.480 3.725 2.719 4.455 . 0 0 "[ . 1 . 2]" 1
106 1 19 ASP HB3 1 20 LEU H . . 4.160 3.585 3.186 4.039 . 0 0 "[ . 1 . 2]" 1
107 1 19 ASP HB3 1 79 GLY H . . 4.580 3.573 2.585 4.331 . 0 0 "[ . 1 . 2]" 1
108 1 20 LEU H 1 20 LEU HB2 . . 3.630 2.779 2.657 2.893 . 0 0 "[ . 1 . 2]" 1
109 1 20 LEU H 1 20 LEU MD1 . . 4.640 4.160 3.646 4.347 . 0 0 "[ . 1 . 2]" 1
110 1 20 LEU H 1 20 LEU HG . . 3.460 3.072 2.552 3.342 . 0 0 "[ . 1 . 2]" 1
111 1 20 LEU H 1 31 VAL H . . 4.020 3.279 2.894 3.636 . 0 0 "[ . 1 . 2]" 1
112 1 20 LEU H 1 31 VAL MG2 . . 4.060 3.413 2.950 3.849 . 0 0 "[ . 1 . 2]" 1
113 1 20 LEU H 1 32 LYS HA . . 4.260 3.770 3.474 4.082 . 0 0 "[ . 1 . 2]" 1
114 1 20 LEU HA 1 20 LEU MD1 . . 4.140 3.892 3.825 3.962 . 0 0 "[ . 1 . 2]" 1
115 1 20 LEU HA 1 20 LEU MD2 . . 3.100 2.043 1.964 2.232 . 0 0 "[ . 1 . 2]" 1
116 1 20 LEU HA 1 21 LYS H . . 2.970 2.304 2.247 2.365 . 0 0 "[ . 1 . 2]" 1
117 1 20 LEU HA 1 79 GLY H . . 4.750 3.287 3.036 4.108 . 0 0 "[ . 1 . 2]" 1
118 1 20 LEU HA 1 80 ALA H . . 4.480 3.114 2.724 3.568 . 0 0 "[ . 1 . 2]" 1
119 1 20 LEU HA 1 80 ALA MB . . 4.030 3.726 3.340 4.004 . 0 0 "[ . 1 . 2]" 1
120 1 20 LEU HB2 1 20 LEU MD1 . . 3.260 2.340 2.214 2.469 . 0 0 "[ . 1 . 2]" 1
121 1 20 LEU HB2 1 21 LYS H . . 4.060 3.931 3.772 4.053 . 0 0 "[ . 1 . 2]" 1
122 1 20 LEU HB2 1 31 VAL H . . 4.780 4.340 4.006 4.752 . 0 0 "[ . 1 . 2]" 1
123 1 20 LEU HB2 1 31 VAL MG2 . . 3.380 2.815 2.326 3.198 . 0 0 "[ . 1 . 2]" 1
124 1 20 LEU HB3 1 20 LEU MD1 . . 3.360 2.377 2.210 2.495 . 0 0 "[ . 1 . 2]" 1
125 1 20 LEU HB3 1 20 LEU MD2 . . 3.370 2.384 2.334 2.436 . 0 0 "[ . 1 . 2]" 1
126 1 20 LEU HB3 1 21 LYS H . . 3.700 2.900 2.722 3.082 . 0 0 "[ . 1 . 2]" 1
127 1 20 LEU MD1 1 21 LYS H . . 4.910 4.837 4.649 4.907 . 0 0 "[ . 1 . 2]" 1
128 1 20 LEU MD2 1 21 LYS H . . 3.960 3.532 3.227 3.766 . 0 0 "[ . 1 . 2]" 1
129 1 20 LEU MD2 1 80 ALA H . . 3.700 2.105 1.863 2.691 . 0 0 "[ . 1 . 2]" 1
130 1 20 LEU MD2 1 80 ALA MB . . 2.960 1.837 1.681 2.043 . 0 0 "[ . 1 . 2]" 1
131 1 21 LYS H 1 21 LYS HB2 . . 3.520 2.271 2.214 2.397 . 0 0 "[ . 1 . 2]" 1
132 1 21 LYS H 1 21 LYS HB3 . . 3.790 3.364 3.232 3.574 . 0 0 "[ . 1 . 2]" 1
133 1 21 LYS H 1 21 LYS QG . . 3.690 3.614 3.251 3.702 0.012 6 0 "[ . 1 . 2]" 1
134 1 21 LYS H 1 82 ILE H . . 4.440 4.010 3.615 4.239 . 0 0 "[ . 1 . 2]" 1
135 1 21 LYS HA 1 21 LYS QG . . 3.390 2.034 1.966 2.222 . 0 0 "[ . 1 . 2]" 1
136 1 21 LYS HA 1 22 ILE H . . 3.040 2.182 2.176 2.201 . 0 0 "[ . 1 . 2]" 1
137 1 21 LYS HA 1 30 ASP HA . . 3.630 3.381 3.007 3.637 0.007 18 0 "[ . 1 . 2]" 1
138 1 21 LYS HA 1 31 VAL H . . 4.370 4.008 3.612 4.363 . 0 0 "[ . 1 . 2]" 1
139 1 21 LYS HB2 1 82 ILE H . . 4.380 4.244 3.924 4.389 0.009 8 0 "[ . 1 . 2]" 1
140 1 21 LYS HB3 1 22 ILE H . . 4.060 3.750 3.423 3.980 . 0 0 "[ . 1 . 2]" 1
141 1 21 LYS QE 1 21 LYS QG . . 3.230 2.095 1.951 2.317 . 0 0 "[ . 1 . 2]" 1
142 1 21 LYS QG 1 28 LYS HA . . 3.880 3.695 3.391 3.882 0.002 17 0 "[ . 1 . 2]" 1
143 1 21 LYS QG 1 28 LYS QB . . 2.770 2.421 1.982 2.781 0.011 6 0 "[ . 1 . 2]" 1
144 1 21 LYS QG 1 29 HIS H . . 4.600 4.351 3.604 4.605 0.005 12 0 "[ . 1 . 2]" 1
145 1 21 LYS QG 1 30 ASP HA . . 4.150 3.448 2.890 3.891 . 0 0 "[ . 1 . 2]" 1
146 1 22 ILE H 1 22 ILE HB . . 3.230 2.549 2.443 2.650 . 0 0 "[ . 1 . 2]" 1
147 1 22 ILE H 1 22 ILE MD . . 4.280 3.299 2.727 3.634 . 0 0 "[ . 1 . 2]" 1
148 1 22 ILE H 1 22 ILE HG12 . . 3.910 1.999 1.938 2.142 . 0 0 "[ . 1 . 2]" 1
149 1 22 ILE H 1 22 ILE HG13 . . 4.190 3.377 3.212 3.562 . 0 0 "[ . 1 . 2]" 1
150 1 22 ILE H 1 22 ILE MG . . 4.090 3.749 3.724 3.789 . 0 0 "[ . 1 . 2]" 1
151 1 22 ILE H 1 29 HIS HB2 . . 4.750 3.525 3.024 3.992 . 0 0 "[ . 1 . 2]" 1
152 1 22 ILE H 1 29 HIS HB3 . . 5.290 4.838 4.333 5.175 . 0 0 "[ . 1 . 2]" 1
153 1 22 ILE H 1 30 ASP HA . . 4.130 4.091 3.922 4.161 0.031 6 0 "[ . 1 . 2]" 1
154 1 22 ILE HA 1 22 ILE MD . . 3.430 2.216 1.960 2.366 . 0 0 "[ . 1 . 2]" 1
155 1 22 ILE HA 1 22 ILE HG12 . . 4.020 3.078 2.815 3.370 . 0 0 "[ . 1 . 2]" 1
156 1 22 ILE HA 1 22 ILE HG13 . . 4.150 3.831 3.758 3.864 . 0 0 "[ . 1 . 2]" 1
157 1 22 ILE HA 1 22 ILE MG . . 3.230 2.253 2.144 2.364 . 0 0 "[ . 1 . 2]" 1
158 1 22 ILE HA 1 23 ILE H . . 3.140 2.293 2.178 2.343 . 0 0 "[ . 1 . 2]" 1
159 1 22 ILE HA 1 23 ILE HG12 . . 4.310 3.912 3.380 4.474 0.164 11 0 "[ . 1 . 2]" 1
160 1 22 ILE HB 1 22 ILE MD . . 3.200 3.194 3.158 3.216 0.016 5 0 "[ . 1 . 2]" 1
161 1 22 ILE HB 1 29 HIS H . . 4.570 2.552 1.917 3.184 . 0 0 "[ . 1 . 2]" 1
162 1 22 ILE HB 1 29 HIS HB2 . . 3.400 2.010 1.973 2.105 . 0 0 "[ . 1 . 2]" 1
163 1 22 ILE HB 1 29 HIS HB3 . . 3.830 3.720 3.624 3.777 . 0 0 "[ . 1 . 2]" 1
164 1 22 ILE HB 1 31 VAL MG1 . . 4.070 4.051 3.540 4.097 0.027 9 0 "[ . 1 . 2]" 1
165 1 22 ILE HB 1 31 VAL MG2 . . 3.990 3.844 3.557 4.040 0.050 1 0 "[ . 1 . 2]" 1
166 1 22 ILE MD 1 22 ILE MG . . 2.520 1.945 1.827 2.195 . 0 0 "[ . 1 . 2]" 1
167 1 22 ILE MD 1 23 ILE H . . 4.270 4.163 3.905 4.282 0.012 7 0 "[ . 1 . 2]" 1
168 1 22 ILE MD 1 31 VAL HB . . 3.860 3.922 3.874 3.983 0.123 9 0 "[ . 1 . 2]" 1
169 1 22 ILE HG12 1 22 ILE MG . . 3.510 3.225 3.203 3.239 . 0 0 "[ . 1 . 2]" 1
170 1 22 ILE HG12 1 31 VAL MG2 . . 2.850 1.932 1.805 2.013 . 0 0 "[ . 1 . 2]" 1
171 1 22 ILE HG13 1 22 ILE MG . . 3.070 2.475 2.270 2.622 . 0 0 "[ . 1 . 2]" 1
172 1 22 ILE HG13 1 31 VAL MG2 . . 3.660 2.062 1.816 2.279 . 0 0 "[ . 1 . 2]" 1
173 1 22 ILE MG 1 23 ILE H . . 3.610 3.553 2.866 3.620 0.010 13 0 "[ . 1 . 2]" 1
174 1 22 ILE MG 1 24 TRP HB2 . . 3.650 3.318 3.065 3.629 . 0 0 "[ . 1 . 2]" 1
175 1 22 ILE MG 1 24 TRP HB3 . . 3.940 3.849 3.492 3.952 0.012 16 0 "[ . 1 . 2]" 1
176 1 22 ILE MG 1 29 HIS H . . 4.520 4.029 3.494 4.521 0.001 20 0 "[ . 1 . 2]" 1
177 1 22 ILE MG 1 29 HIS HB2 . . 4.080 3.266 2.940 3.636 . 0 0 "[ . 1 . 2]" 1
178 1 22 ILE MG 1 29 HIS HD2 . . 4.340 3.220 2.757 4.396 0.056 6 0 "[ . 1 . 2]" 1
179 1 23 ILE H 1 23 ILE HB . . 3.370 2.508 2.446 2.811 . 0 0 "[ . 1 . 2]" 1
180 1 23 ILE H 1 23 ILE HG12 . . 4.110 2.110 1.949 3.007 . 0 0 "[ . 1 . 2]" 1
181 1 23 ILE H 1 23 ILE HG13 . . 4.070 3.413 2.610 3.764 . 0 0 "[ . 1 . 2]" 1
182 1 23 ILE H 1 23 ILE MG . . 4.000 3.747 3.723 3.872 . 0 0 "[ . 1 . 2]" 1
183 1 23 ILE H 1 82 ILE HB . . 4.350 3.118 2.831 3.412 . 0 0 "[ . 1 . 2]" 1
184 1 23 ILE H 1 83 MET HA . . 4.140 3.731 3.332 4.044 . 0 0 "[ . 1 . 2]" 1
185 1 23 ILE H 1 84 VAL H . . 4.910 4.663 4.038 4.901 . 0 0 "[ . 1 . 2]" 1
186 1 23 ILE HA 1 23 ILE MD . . 3.380 2.195 1.971 3.453 0.073 11 0 "[ . 1 . 2]" 1
187 1 23 ILE HA 1 23 ILE HG12 . . 3.900 3.052 2.444 3.404 . 0 0 "[ . 1 . 2]" 1
188 1 23 ILE HA 1 23 ILE HG13 . . 4.060 3.784 3.520 3.893 . 0 0 "[ . 1 . 2]" 1
189 1 23 ILE HA 1 23 ILE MG . . 3.210 2.285 2.135 2.417 . 0 0 "[ . 1 . 2]" 1
190 1 23 ILE HA 1 24 TRP H . . 3.050 2.203 2.176 2.268 . 0 0 "[ . 1 . 2]" 1
191 1 23 ILE HA 1 27 THR H . . 5.000 3.953 3.549 4.901 . 0 0 "[ . 1 . 2]" 1
192 1 23 ILE HB 1 23 ILE MD . . 3.540 3.174 2.709 3.212 . 0 0 "[ . 1 . 2]" 1
193 1 23 ILE HB 1 83 MET HA . . 3.360 2.119 1.998 2.682 . 0 0 "[ . 1 . 2]" 1
194 1 23 ILE HB 1 84 VAL H . . 4.430 3.695 3.342 4.066 . 0 0 "[ . 1 . 2]" 1
195 1 23 ILE MD 1 28 LYS HA . . 3.630 3.091 2.443 3.558 . 0 0 "[ . 1 . 2]" 1
196 1 23 ILE MD 1 28 LYS QB . . 3.860 3.153 2.509 3.684 . 0 0 "[ . 1 . 2]" 1
197 1 23 ILE MD 1 81 LYS QD . . 3.190 2.587 1.909 3.191 0.001 19 0 "[ . 1 . 2]" 1
198 1 23 ILE MD 1 81 LYS QE . . 4.140 3.589 2.440 4.142 0.002 20 0 "[ . 1 . 2]" 1
199 1 23 ILE MD 1 81 LYS HG3 . . 3.420 3.030 2.174 4.002 0.582 9 1 "[ . +1 . 2]" 1
200 1 23 ILE MD 1 82 ILE H . . 4.040 3.931 3.710 4.044 0.004 12 0 "[ . 1 . 2]" 1
201 1 23 ILE MD 1 83 MET ME . . 4.080 3.889 3.336 4.083 0.003 10 0 "[ . 1 . 2]" 1
202 1 23 ILE HG12 1 23 ILE MG . . 3.260 3.205 2.779 3.239 . 0 0 "[ . 1 . 2]" 1
203 1 23 ILE HG12 1 81 LYS QD . . 4.050 3.670 2.761 4.214 0.164 11 0 "[ . 1 . 2]" 1
204 1 23 ILE HG12 1 82 ILE H . . 3.840 2.485 2.104 4.351 0.511 11 1 "[ . 1+ . 2]" 1
205 1 23 ILE HG13 1 23 ILE MG . . 3.580 2.466 2.160 3.146 . 0 0 "[ . 1 . 2]" 1
206 1 23 ILE HG13 1 81 LYS QD . . 4.210 2.912 1.981 3.939 . 0 0 "[ . 1 . 2]" 1
207 1 23 ILE HG13 1 82 ILE H . . 4.630 2.997 2.579 3.444 . 0 0 "[ . 1 . 2]" 1
208 1 23 ILE MG 1 24 TRP H . . 3.570 2.651 2.228 2.960 . 0 0 "[ . 1 . 2]" 1
209 1 23 ILE MG 1 24 TRP HA . . 4.160 3.571 3.332 3.890 . 0 0 "[ . 1 . 2]" 1
210 1 23 ILE MG 1 26 LYS HA . . 3.940 3.781 2.701 3.963 0.023 16 0 "[ . 1 . 2]" 1
211 1 23 ILE MG 1 27 THR H . . 4.850 3.861 3.608 4.158 . 0 0 "[ . 1 . 2]" 1
212 1 23 ILE MG 1 83 MET HA . . 3.840 2.983 2.453 3.714 . 0 0 "[ . 1 . 2]" 1
213 1 23 ILE MG 1 83 MET ME . . 3.430 2.154 1.753 3.242 . 0 0 "[ . 1 . 2]" 1
214 1 24 TRP H 1 24 TRP HB2 . . 4.180 3.412 3.302 3.498 . 0 0 "[ . 1 . 2]" 1
215 1 24 TRP H 1 24 TRP HB3 . . 4.040 3.040 2.751 3.210 . 0 0 "[ . 1 . 2]" 1
216 1 24 TRP H 1 27 THR H . . 4.220 2.608 2.204 4.223 0.003 20 0 "[ . 1 . 2]" 1
217 1 24 TRP HA 1 24 TRP HD1 . . 3.500 2.254 2.152 2.402 . 0 0 "[ . 1 . 2]" 1
218 1 24 TRP HA 1 25 ASN H . . 3.280 2.280 2.206 2.921 . 0 0 "[ . 1 . 2]" 1
219 1 24 TRP HA 1 25 ASN HA . . 4.260 4.319 4.303 4.336 0.076 5 0 "[ . 1 . 2]" 1
220 1 24 TRP HA 1 84 VAL H . . 4.350 2.702 2.355 3.021 . 0 0 "[ . 1 . 2]" 1
221 1 24 TRP HA 1 84 VAL HB . . 4.110 2.877 2.334 3.328 . 0 0 "[ . 1 . 2]" 1
222 1 24 TRP HB2 1 24 TRP HD1 . . 3.780 3.430 3.367 3.488 . 0 0 "[ . 1 . 2]" 1
223 1 24 TRP HB2 1 24 TRP HE3 . . 3.810 3.236 3.149 3.328 . 0 0 "[ . 1 . 2]" 1
224 1 24 TRP HB2 1 50 THR MG . . 4.390 3.217 2.859 3.451 . 0 0 "[ . 1 . 2]" 1
225 1 24 TRP HB2 1 84 VAL HB . . 3.670 2.013 1.994 2.084 . 0 0 "[ . 1 . 2]" 1
226 1 24 TRP HB2 1 84 VAL MG1 . . 3.900 3.332 3.027 3.522 . 0 0 "[ . 1 . 2]" 1
227 1 24 TRP HB2 1 84 VAL MG2 . . 4.240 2.768 2.020 3.169 . 0 0 "[ . 1 . 2]" 1
228 1 24 TRP HB3 1 24 TRP HE3 . . 3.620 2.557 2.491 2.622 . 0 0 "[ . 1 . 2]" 1
229 1 24 TRP HB3 1 50 THR MG . . 4.100 3.636 3.061 3.969 . 0 0 "[ . 1 . 2]" 1
230 1 24 TRP HB3 1 84 VAL HB . . 4.340 3.633 3.482 3.711 . 0 0 "[ . 1 . 2]" 1
231 1 24 TRP HB3 1 84 VAL MG2 . . 4.560 4.227 3.552 4.542 . 0 0 "[ . 1 . 2]" 1
232 1 24 TRP HD1 1 25 ASN H . . 5.010 2.778 2.178 4.611 . 0 0 "[ . 1 . 2]" 1
233 1 24 TRP HD1 1 84 VAL H . . 4.120 3.879 3.596 4.128 0.008 4 0 "[ . 1 . 2]" 1
234 1 24 TRP HD1 1 84 VAL HB . . 3.720 3.162 2.507 3.646 . 0 0 "[ . 1 . 2]" 1
235 1 24 TRP HD1 1 84 VAL MG1 . . 3.690 3.466 2.859 3.693 0.003 19 0 "[ . 1 . 2]" 1
236 1 24 TRP HD1 1 85 VAL HA . . 4.050 3.007 2.574 3.648 . 0 0 "[ . 1 . 2]" 1
237 1 24 TRP HE1 1 25 ASN HD22 . . 4.710 4.529 3.763 5.089 0.379 20 0 "[ . 1 . 2]" 1
238 1 24 TRP HE1 1 52 LEU MD1 . . 4.040 3.762 3.332 4.054 0.014 16 0 "[ . 1 . 2]" 1
239 1 24 TRP HE1 1 52 LEU MD2 . . 4.360 4.191 3.754 4.371 0.011 11 0 "[ . 1 . 2]" 1
240 1 24 TRP HE1 1 85 VAL HA . . 4.820 3.056 2.557 3.844 . 0 0 "[ . 1 . 2]" 1
241 1 24 TRP HE1 1 86 GLY H . . 4.180 3.088 2.433 3.772 . 0 0 "[ . 1 . 2]" 1
242 1 24 TRP HE3 1 50 THR MG . . 3.790 2.236 1.966 2.871 . 0 0 "[ . 1 . 2]" 1
243 1 24 TRP HE3 1 84 VAL HB . . 4.500 4.506 4.482 4.524 0.024 16 0 "[ . 1 . 2]" 1
244 1 24 TRP HE3 1 84 VAL MG1 . . 4.460 4.178 3.687 4.451 . 0 0 "[ . 1 . 2]" 1
245 1 24 TRP HZ2 1 52 LEU MD1 . . 4.310 2.812 2.324 3.327 . 0 0 "[ . 1 . 2]" 1
246 1 24 TRP HZ3 1 50 THR HB . . 4.360 2.483 2.321 2.715 . 0 0 "[ . 1 . 2]" 1
247 1 25 ASN H 1 26 LYS H . . 4.610 3.727 2.266 4.027 . 0 0 "[ . 1 . 2]" 1
248 1 25 ASN HB2 1 26 LYS H . . 3.650 2.693 1.944 3.092 . 0 0 "[ . 1 . 2]" 1
249 1 25 ASN HB2 1 27 THR H . . 4.460 4.179 3.614 4.576 0.116 10 0 "[ . 1 . 2]" 1
250 1 25 ASN HB3 1 26 LYS H . . 3.990 2.228 2.011 2.761 . 0 0 "[ . 1 . 2]" 1
251 1 25 ASN HB3 1 27 THR H . . 5.090 4.047 2.968 4.677 . 0 0 "[ . 1 . 2]" 1
252 1 26 LYS H 1 26 LYS QG . . 3.860 3.099 2.452 3.897 0.037 20 0 "[ . 1 . 2]" 1
253 1 26 LYS H 1 27 THR H . . 3.450 2.013 1.895 2.211 . 0 0 "[ . 1 . 2]" 1
254 1 26 LYS HA 1 26 LYS QG . . 3.360 2.800 2.015 3.357 . 0 0 "[ . 1 . 2]" 1
255 1 26 LYS HB2 1 27 THR H . . 5.090 4.394 3.167 4.614 . 0 0 "[ . 1 . 2]" 1
256 1 26 LYS QG 1 27 THR H . . 4.690 4.092 1.996 4.655 . 0 0 "[ . 1 . 2]" 1
257 1 27 THR H 1 27 THR HB . . 3.590 3.527 2.717 3.629 0.039 6 0 "[ . 1 . 2]" 1
258 1 27 THR H 1 27 THR MG . . 3.720 3.021 2.131 3.800 0.080 15 0 "[ . 1 . 2]" 1
259 1 27 THR HA 1 27 THR MG . . 3.290 2.350 1.998 3.210 . 0 0 "[ . 1 . 2]" 1
260 1 27 THR HA 1 28 LYS H . . 2.930 2.355 2.247 2.517 . 0 0 "[ . 1 . 2]" 1
261 1 27 THR HA 1 28 LYS QB . . 4.220 4.182 3.887 4.296 0.076 8 0 "[ . 1 . 2]" 1
262 1 27 THR HB 1 28 LYS H . . 3.500 2.933 2.566 3.520 0.020 5 0 "[ . 1 . 2]" 1
263 1 27 THR HB 1 29 HIS HE1 . . 4.060 3.643 2.705 4.075 0.015 6 0 "[ . 1 . 2]" 1
264 1 27 THR MG 1 28 LYS H . . 3.840 3.527 1.931 3.776 . 0 0 "[ . 1 . 2]" 1
265 1 27 THR MG 1 29 HIS HE1 . . 4.360 3.619 2.125 4.333 . 0 0 "[ . 1 . 2]" 1
266 1 28 LYS H 1 28 LYS QB . . 3.340 2.888 2.477 3.183 . 0 0 "[ . 1 . 2]" 1
267 1 28 LYS H 1 29 HIS H . . 4.550 3.930 3.793 4.307 . 0 0 "[ . 1 . 2]" 1
268 1 28 LYS H 1 29 HIS HA . . 4.770 4.505 4.384 4.751 . 0 0 "[ . 1 . 2]" 1
269 1 28 LYS HA 1 28 LYS QG . . 3.960 2.925 2.166 3.391 . 0 0 "[ . 1 . 2]" 1
270 1 28 LYS HA 1 29 HIS H . . 3.080 2.218 2.183 2.252 . 0 0 "[ . 1 . 2]" 1
271 1 28 LYS QB 1 28 LYS QE . . 3.690 3.245 2.325 3.700 0.010 18 0 "[ . 1 . 2]" 1
272 1 28 LYS QB 1 29 HIS H . . 4.070 3.701 3.185 3.998 . 0 0 "[ . 1 . 2]" 1
273 1 28 LYS QE 1 28 LYS QG . . 3.410 2.102 1.942 2.304 . 0 0 "[ . 1 . 2]" 1
274 1 29 HIS H 1 29 HIS HB2 . . 3.870 2.518 2.401 2.777 . 0 0 "[ . 1 . 2]" 1
275 1 29 HIS H 1 29 HIS HB3 . . 4.060 3.656 3.579 3.836 . 0 0 "[ . 1 . 2]" 1
276 1 29 HIS H 1 29 HIS HD2 . . 4.010 3.711 2.545 4.014 0.004 16 0 "[ . 1 . 2]" 1
277 1 29 HIS HA 1 30 ASP H . . 3.440 2.196 2.185 2.203 . 0 0 "[ . 1 . 2]" 1
278 1 29 HIS HB2 1 29 HIS HD2 . . 3.710 2.815 2.717 3.644 . 0 0 "[ . 1 . 2]" 1
279 1 29 HIS HB2 1 31 VAL MG1 . . 3.930 3.234 2.866 3.479 . 0 0 "[ . 1 . 2]" 1
280 1 29 HIS HB2 1 31 VAL MG2 . . 4.360 3.915 3.710 4.191 . 0 0 "[ . 1 . 2]" 1
281 1 29 HIS HB2 1 49 ILE MD . . 3.650 3.608 3.329 3.663 0.013 19 0 "[ . 1 . 2]" 1
282 1 29 HIS HB2 1 49 ILE MG . . 3.990 2.946 2.605 3.492 . 0 0 "[ . 1 . 2]" 1
283 1 29 HIS HB3 1 29 HIS HD2 . . 3.730 3.648 3.473 3.867 0.137 13 0 "[ . 1 . 2]" 1
284 1 29 HIS HB3 1 30 ASP H . . 4.450 3.708 3.441 3.809 . 0 0 "[ . 1 . 2]" 1
285 1 29 HIS HB3 1 31 VAL MG1 . . 4.140 2.956 2.800 3.257 . 0 0 "[ . 1 . 2]" 1
286 1 29 HIS HB3 1 49 ILE MD . . 3.780 3.770 3.659 3.798 0.018 6 0 "[ . 1 . 2]" 1
287 1 29 HIS HB3 1 49 ILE MG . . 3.970 2.762 2.421 3.189 . 0 0 "[ . 1 . 2]" 1
288 1 30 ASP H 1 30 ASP HB2 . . 3.770 2.869 2.013 3.557 . 0 0 "[ . 1 . 2]" 1
289 1 30 ASP H 1 30 ASP HB3 . . 3.510 3.059 2.157 3.555 0.045 3 0 "[ . 1 . 2]" 1
290 1 30 ASP HA 1 31 VAL H . . 2.820 2.261 2.252 2.281 . 0 0 "[ . 1 . 2]" 1
291 1 30 ASP HB2 1 31 VAL H . . 4.190 4.114 3.403 4.678 0.488 6 0 "[ . 1 . 2]" 1
292 1 31 VAL H 1 31 VAL HB . . 4.090 3.721 3.630 3.786 . 0 0 "[ . 1 . 2]" 1
293 1 31 VAL H 1 31 VAL MG1 . . 3.960 3.172 3.021 3.328 . 0 0 "[ . 1 . 2]" 1
294 1 31 VAL H 1 31 VAL MG2 . . 3.400 2.064 1.897 2.228 . 0 0 "[ . 1 . 2]" 1
295 1 31 VAL HA 1 31 VAL MG1 . . 3.360 2.151 2.076 2.188 . 0 0 "[ . 1 . 2]" 1
296 1 31 VAL HA 1 32 LYS H . . 2.980 2.269 2.251 2.331 . 0 0 "[ . 1 . 2]" 1
297 1 31 VAL HB 1 32 LYS H . . 3.300 3.031 2.859 3.093 . 0 0 "[ . 1 . 2]" 1
298 1 31 VAL HB 1 49 ILE MD . . 4.310 2.741 2.452 3.058 . 0 0 "[ . 1 . 2]" 1
299 1 31 VAL MG1 1 32 LYS H . . 3.810 3.795 3.575 3.850 0.040 19 0 "[ . 1 . 2]" 1
300 1 31 VAL MG1 1 49 ILE MD . . 2.940 1.695 1.640 1.850 . 0 0 "[ . 1 . 2]" 1
301 1 31 VAL MG2 1 32 LYS H . . 3.980 4.009 3.963 4.029 0.049 15 0 "[ . 1 . 2]" 1
302 1 32 LYS H 1 32 LYS HB2 . . 3.600 3.709 3.675 3.733 0.133 7 0 "[ . 1 . 2]" 1
303 1 32 LYS H 1 32 LYS HB3 . . 3.510 2.667 2.539 2.817 . 0 0 "[ . 1 . 2]" 1
304 1 32 LYS H 1 32 LYS HG2 . . 4.180 2.383 2.148 2.576 . 0 0 "[ . 1 . 2]" 1
305 1 32 LYS H 1 32 LYS HG3 . . 4.780 3.729 3.568 3.861 . 0 0 "[ . 1 . 2]" 1
306 1 32 LYS HA 1 32 LYS HG2 . . 3.980 3.676 3.651 3.709 . 0 0 "[ . 1 . 2]" 1
307 1 32 LYS HA 1 32 LYS HG3 . . 3.710 3.674 3.564 3.779 0.069 18 0 "[ . 1 . 2]" 1
308 1 32 LYS HA 1 33 VAL H . . 2.850 2.181 2.176 2.206 . 0 0 "[ . 1 . 2]" 1
309 1 32 LYS HA 1 33 VAL MG2 . . 4.270 4.021 3.891 4.223 . 0 0 "[ . 1 . 2]" 1
310 1 32 LYS HB2 1 32 LYS QE . . 4.450 4.070 2.050 4.285 . 0 0 "[ . 1 . 2]" 1
311 1 32 LYS HB2 1 33 VAL H . . 4.090 3.653 3.352 3.784 . 0 0 "[ . 1 . 2]" 1
312 1 32 LYS HB3 1 32 LYS QE . . 4.020 3.714 2.517 4.045 0.025 8 0 "[ . 1 . 2]" 1
313 1 32 LYS HB3 1 33 VAL H . . 4.640 4.534 4.397 4.603 . 0 0 "[ . 1 . 2]" 1
314 1 32 LYS QE 1 32 LYS HG2 . . 3.290 2.225 2.033 3.332 0.042 19 0 "[ . 1 . 2]" 1
315 1 32 LYS QE 1 32 LYS HG3 . . 3.660 2.692 2.449 2.831 . 0 0 "[ . 1 . 2]" 1
316 1 32 LYS HG3 1 33 VAL H . . 4.860 4.223 3.976 4.440 . 0 0 "[ . 1 . 2]" 1
317 1 33 VAL H 1 33 VAL MG1 . . 3.810 2.764 2.611 2.890 . 0 0 "[ . 1 . 2]" 1
318 1 33 VAL H 1 33 VAL MG2 . . 3.150 2.319 2.174 2.549 . 0 0 "[ . 1 . 2]" 1
319 1 33 VAL HA 1 33 VAL MG1 . . 3.130 2.445 2.379 2.521 . 0 0 "[ . 1 . 2]" 1
320 1 33 VAL HA 1 34 PRO HD2 . . 3.310 2.687 2.658 2.716 . 0 0 "[ . 1 . 2]" 1
321 1 33 VAL HA 1 34 PRO HD3 . . 2.940 1.982 1.969 1.996 . 0 0 "[ . 1 . 2]" 1
322 1 33 VAL HB 1 34 PRO HD2 . . 3.050 2.181 2.103 2.215 . 0 0 "[ . 1 . 2]" 1
323 1 33 VAL HB 1 34 PRO HD3 . . 3.410 3.085 3.028 3.150 . 0 0 "[ . 1 . 2]" 1
324 1 33 VAL HB 1 45 LYS HG2 . . 3.450 2.872 2.548 3.225 . 0 0 "[ . 1 . 2]" 1
325 1 33 VAL HB 1 45 LYS HG3 . . 3.510 3.517 3.496 3.531 0.021 16 0 "[ . 1 . 2]" 1
326 1 33 VAL MG1 1 34 PRO HD2 . . 3.990 3.732 3.614 3.839 . 0 0 "[ . 1 . 2]" 1
327 1 33 VAL MG1 1 34 PRO HD3 . . 3.850 3.881 3.797 3.994 0.144 1 0 "[ . 1 . 2]" 1
328 1 33 VAL MG1 1 45 LYS QD . . 4.040 3.771 3.570 3.866 . 0 0 "[ . 1 . 2]" 1
329 1 33 VAL MG2 1 34 PRO HD2 . . 4.160 3.262 3.052 3.422 . 0 0 "[ . 1 . 2]" 1
330 1 33 VAL MG2 1 34 PRO HD3 . . 4.150 4.071 3.959 4.171 0.021 5 0 "[ . 1 . 2]" 1
331 1 34 PRO HA 1 35 LEU H . . 3.140 2.280 2.225 2.397 . 0 0 "[ . 1 . 2]" 1
332 1 34 PRO HA 1 35 LEU HA . . 4.150 4.226 4.218 4.240 0.090 3 0 "[ . 1 . 2]" 1
333 1 34 PRO HB2 1 35 LEU H . . 4.420 3.141 2.810 3.320 . 0 0 "[ . 1 . 2]" 1
334 1 34 PRO HB2 1 36 ASP H . . 4.320 2.267 2.082 2.393 . 0 0 "[ . 1 . 2]" 1
335 1 34 PRO HB2 1 37 SER H . . 3.990 3.263 3.001 3.719 . 0 0 "[ . 1 . 2]" 1
336 1 34 PRO HB3 1 35 LEU H . . 4.300 3.635 3.449 3.745 . 0 0 "[ . 1 . 2]" 1
337 1 34 PRO HB3 1 36 ASP H . . 4.020 3.747 3.657 3.827 . 0 0 "[ . 1 . 2]" 1
338 1 35 LEU H 1 35 LEU HB2 . . 3.420 2.110 2.043 2.218 . 0 0 "[ . 1 . 2]" 1
339 1 35 LEU H 1 35 LEU HB3 . . 3.530 2.959 2.926 2.997 . 0 0 "[ . 1 . 2]" 1
340 1 35 LEU H 1 36 ASP H . . 3.870 2.465 2.331 2.672 . 0 0 "[ . 1 . 2]" 1
341 1 35 LEU H 1 36 ASP QB . . 4.420 4.095 3.901 4.273 . 0 0 "[ . 1 . 2]" 1
342 1 35 LEU HA 1 35 LEU MD1 . . 2.820 1.987 1.915 2.135 . 0 0 "[ . 1 . 2]" 1
343 1 35 LEU HA 1 35 LEU MD2 . . 3.750 3.769 3.749 3.787 0.037 11 0 "[ . 1 . 2]" 1
344 1 35 LEU HA 1 35 LEU HG . . 4.070 2.729 2.546 2.826 . 0 0 "[ . 1 . 2]" 1
345 1 35 LEU HA 1 37 SER H . . 4.570 3.393 3.206 3.645 . 0 0 "[ . 1 . 2]" 1
346 1 35 LEU HA 1 71 LEU MD1 . . 3.510 2.547 2.278 3.258 . 0 0 "[ . 1 . 2]" 1
347 1 35 LEU HB2 1 35 LEU MD2 . . 3.090 2.355 2.209 2.491 . 0 0 "[ . 1 . 2]" 1
348 1 35 LEU HB2 1 36 ASP H . . 5.090 3.878 3.743 4.290 . 0 0 "[ . 1 . 2]" 1
349 1 35 LEU HB2 1 72 ARG HB2 . . 3.730 3.678 3.497 3.743 0.013 13 0 "[ . 1 . 2]" 1
350 1 35 LEU HB3 1 35 LEU MD2 . . 3.190 2.307 2.161 2.434 . 0 0 "[ . 1 . 2]" 1
351 1 35 LEU HB3 1 36 ASP H . . 5.130 3.533 3.364 4.096 . 0 0 "[ . 1 . 2]" 1
352 1 35 LEU HB3 1 72 ARG HB3 . . 3.870 3.697 3.457 3.838 . 0 0 "[ . 1 . 2]" 1
353 1 35 LEU HB3 1 72 ARG HG3 . . 3.450 3.414 3.098 3.462 0.012 20 0 "[ . 1 . 2]" 1
354 1 35 LEU MD1 1 71 LEU HB3 . . 3.570 2.494 2.108 2.980 . 0 0 "[ . 1 . 2]" 1
355 1 35 LEU MD1 1 72 ARG H . . 4.300 3.442 3.193 3.965 . 0 0 "[ . 1 . 2]" 1
356 1 35 LEU MD1 1 72 ARG HA . . 3.580 3.553 3.433 3.616 0.036 19 0 "[ . 1 . 2]" 1
357 1 35 LEU MD1 1 76 VAL H . . 4.380 4.042 3.756 4.187 . 0 0 "[ . 1 . 2]" 1
358 1 35 LEU MD1 1 76 VAL HB . . 3.620 2.513 2.281 2.772 . 0 0 "[ . 1 . 2]" 1
359 1 35 LEU MD1 1 76 VAL MG1 . . 2.860 1.874 1.742 2.121 . 0 0 "[ . 1 . 2]" 1
360 1 35 LEU MD2 1 72 ARG H . . 4.130 3.678 3.495 4.087 . 0 0 "[ . 1 . 2]" 1
361 1 35 LEU MD2 1 72 ARG HA . . 3.260 2.194 1.981 2.662 . 0 0 "[ . 1 . 2]" 1
362 1 35 LEU MD2 1 72 ARG HB2 . . 4.550 2.433 2.134 2.596 . 0 0 "[ . 1 . 2]" 1
363 1 35 LEU MD2 1 72 ARG HB3 . . 4.030 3.729 3.380 3.987 . 0 0 "[ . 1 . 2]" 1
364 1 35 LEU MD2 1 72 ARG HG3 . . 3.910 2.230 1.864 2.459 . 0 0 "[ . 1 . 2]" 1
365 1 35 LEU HG 1 72 ARG H . . 4.480 2.260 2.025 2.617 . 0 0 "[ . 1 . 2]" 1
366 1 35 LEU HG 1 72 ARG HB3 . . 3.540 3.497 3.410 3.540 0.000 15 0 "[ . 1 . 2]" 1
367 1 36 ASP H 1 36 ASP QB . . 3.500 2.100 1.988 2.360 . 0 0 "[ . 1 . 2]" 1
368 1 36 ASP H 1 37 SER H . . 3.530 2.497 2.106 2.614 . 0 0 "[ . 1 . 2]" 1
369 1 36 ASP HA 1 72 ARG H . . 4.670 4.601 4.363 4.677 0.007 19 0 "[ . 1 . 2]" 1
370 1 36 ASP QB 1 37 SER H . . 4.100 3.211 2.962 3.747 . 0 0 "[ . 1 . 2]" 1
371 1 37 SER H 1 37 SER QB . . 3.330 2.228 2.039 2.731 . 0 0 "[ . 1 . 2]" 1
372 1 37 SER H 1 37 SER HG . . 4.350 3.336 2.574 4.207 . 0 0 "[ . 1 . 2]" 1
373 1 37 SER H 1 38 THR H . . 5.120 4.614 4.548 4.667 . 0 0 "[ . 1 . 2]" 1
374 1 37 SER H 1 71 LEU H . . 4.850 4.724 4.504 4.845 . 0 0 "[ . 1 . 2]" 1
375 1 37 SER H 1 71 LEU MD1 . . 4.400 3.035 2.683 3.953 . 0 0 "[ . 1 . 2]" 1
376 1 37 SER HA 1 38 THR H . . 3.200 2.275 2.221 2.372 . 0 0 "[ . 1 . 2]" 1
377 1 37 SER QB 1 38 THR H . . 3.510 3.184 2.789 3.400 . 0 0 "[ . 1 . 2]" 1
378 1 37 SER QB 1 41 GLU HB2 . . 3.340 2.935 2.483 3.336 . 0 0 "[ . 1 . 2]" 1
379 1 37 SER QB 1 41 GLU HB3 . . 3.730 3.002 2.418 3.368 . 0 0 "[ . 1 . 2]" 1
380 1 37 SER QB 1 42 LEU H . . 4.700 3.999 3.710 4.354 . 0 0 "[ . 1 . 2]" 1
381 1 37 SER QB 1 71 LEU MD1 . . 3.630 1.912 1.704 2.347 . 0 0 "[ . 1 . 2]" 1
382 1 37 SER QB 1 71 LEU HG . . 3.650 3.596 3.382 3.672 0.022 16 0 "[ . 1 . 2]" 1
383 1 38 THR H 1 38 THR MG . . 3.140 2.047 1.890 2.359 . 0 0 "[ . 1 . 2]" 1
384 1 38 THR H 1 41 GLU H . . 4.340 3.471 3.330 3.599 . 0 0 "[ . 1 . 2]" 1
385 1 38 THR H 1 41 GLU HB2 . . 3.500 2.272 2.041 2.507 . 0 0 "[ . 1 . 2]" 1
386 1 38 THR H 1 41 GLU HB3 . . 4.020 3.661 3.369 3.929 . 0 0 "[ . 1 . 2]" 1
387 1 38 THR H 1 41 GLU HG2 . . 4.770 4.422 4.044 4.755 . 0 0 "[ . 1 . 2]" 1
388 1 38 THR H 1 41 GLU HG3 . . 4.470 3.007 2.471 3.418 . 0 0 "[ . 1 . 2]" 1
389 1 38 THR HA 1 39 GLY H . . 3.340 2.249 2.227 2.291 . 0 0 "[ . 1 . 2]" 1
390 1 38 THR HA 1 70 THR HA . . 3.260 2.036 1.989 2.291 . 0 0 "[ . 1 . 2]" 1
391 1 38 THR HA 1 70 THR HB . . 4.150 2.967 2.506 3.243 . 0 0 "[ . 1 . 2]" 1
392 1 38 THR HA 1 70 THR MG . . 2.970 2.208 1.960 2.808 . 0 0 "[ . 1 . 2]" 1
393 1 38 THR HA 1 71 LEU H . . 4.540 3.586 3.447 3.775 . 0 0 "[ . 1 . 2]" 1
394 1 38 THR HB 1 39 GLY H . . 3.490 3.095 2.946 3.172 . 0 0 "[ . 1 . 2]" 1
395 1 38 THR HB 1 40 SER H . . 3.580 2.942 2.710 3.152 . 0 0 "[ . 1 . 2]" 1
396 1 38 THR MG 1 40 SER H . . 4.700 4.294 4.221 4.345 . 0 0 "[ . 1 . 2]" 1
397 1 38 THR MG 1 41 GLU HB2 . . 3.780 3.611 3.222 3.781 0.001 11 0 "[ . 1 . 2]" 1
398 1 39 GLY H 1 40 SER H . . 3.510 2.893 2.816 2.981 . 0 0 "[ . 1 . 2]" 1
399 1 39 GLY H 1 65 VAL MG1 . . 4.850 4.502 4.160 4.809 . 0 0 "[ . 1 . 2]" 1
400 1 39 GLY H 1 67 GLU HA . . 4.080 3.496 3.204 3.727 . 0 0 "[ . 1 . 2]" 1
401 1 39 GLY H 1 70 THR HA . . 4.350 2.056 1.946 2.216 . 0 0 "[ . 1 . 2]" 1
402 1 39 GLY H 1 70 THR MG . . 4.170 3.456 3.258 3.822 . 0 0 "[ . 1 . 2]" 1
403 1 39 GLY H 1 71 LEU H . . 3.860 3.866 3.859 3.875 0.015 4 0 "[ . 1 . 2]" 1
404 1 39 GLY HA2 1 42 LEU H . . 4.320 3.719 3.486 3.990 . 0 0 "[ . 1 . 2]" 1
405 1 39 GLY HA2 1 42 LEU HB2 . . 3.950 3.327 2.967 3.784 . 0 0 "[ . 1 . 2]" 1
406 1 39 GLY HA2 1 65 VAL MG1 . . 3.490 2.957 2.616 3.232 . 0 0 "[ . 1 . 2]" 1
407 1 39 GLY HA2 1 67 GLU HA . . 4.140 3.868 3.547 4.141 0.001 16 0 "[ . 1 . 2]" 1
408 1 39 GLY HA3 1 65 VAL MG1 . . 3.660 2.834 2.470 3.146 . 0 0 "[ . 1 . 2]" 1
409 1 39 GLY HA3 1 67 GLU HA . . 3.350 2.257 1.996 2.546 . 0 0 "[ . 1 . 2]" 1
410 1 40 SER H 1 40 SER HB2 . . 3.420 2.721 2.354 3.540 0.120 15 0 "[ . 1 . 2]" 1
411 1 40 SER H 1 40 SER HB3 . . 3.570 2.404 2.094 2.678 . 0 0 "[ . 1 . 2]" 1
412 1 40 SER H 1 41 GLU H . . 3.390 2.475 2.371 2.582 . 0 0 "[ . 1 . 2]" 1
413 1 40 SER H 1 41 GLU HB2 . . 4.990 4.245 4.154 4.356 . 0 0 "[ . 1 . 2]" 1
414 1 40 SER H 1 67 GLU HA . . 3.290 3.033 2.791 3.265 . 0 0 "[ . 1 . 2]" 1
415 1 40 SER H 1 67 GLU HB3 . . 4.170 3.378 3.144 3.649 . 0 0 "[ . 1 . 2]" 1
416 1 40 SER HA 1 67 GLU HG2 . . 3.570 2.744 2.033 3.572 0.002 16 0 "[ . 1 . 2]" 1
417 1 40 SER HB2 1 41 GLU H . . 3.830 3.900 3.630 4.063 0.233 12 0 "[ . 1 . 2]" 1
418 1 40 SER HB3 1 41 GLU H . . 4.060 2.737 2.466 3.671 . 0 0 "[ . 1 . 2]" 1
419 1 40 SER HB3 1 67 GLU HB3 . . 3.730 3.393 1.999 3.749 0.019 1 0 "[ . 1 . 2]" 1
420 1 41 GLU H 1 41 GLU HB2 . . 3.460 2.152 2.092 2.264 . 0 0 "[ . 1 . 2]" 1
421 1 41 GLU H 1 41 GLU HB3 . . 3.820 3.446 3.398 3.513 . 0 0 "[ . 1 . 2]" 1
422 1 41 GLU H 1 41 GLU HG2 . . 3.770 3.643 3.347 3.766 . 0 0 "[ . 1 . 2]" 1
423 1 41 GLU H 1 41 GLU HG3 . . 3.160 2.952 2.629 3.155 . 0 0 "[ . 1 . 2]" 1
424 1 41 GLU H 1 42 LEU H . . 3.610 2.825 2.578 2.995 . 0 0 "[ . 1 . 2]" 1
425 1 41 GLU HA 1 41 GLU HG2 . . 3.030 2.103 1.994 2.327 . 0 0 "[ . 1 . 2]" 1
426 1 41 GLU HA 1 44 GLN H . . 4.110 3.335 3.031 3.490 . 0 0 "[ . 1 . 2]" 1
427 1 41 GLU HA 1 44 GLN QB . . 3.880 3.053 2.353 3.373 . 0 0 "[ . 1 . 2]" 1
428 1 41 GLU HB2 1 42 LEU H . . 3.860 3.069 2.894 3.299 . 0 0 "[ . 1 . 2]" 1
429 1 41 GLU HB3 1 42 LEU H . . 4.100 3.409 3.176 3.603 . 0 0 "[ . 1 . 2]" 1
430 1 42 LEU H 1 42 LEU HB2 . . 3.470 2.140 2.068 2.207 . 0 0 "[ . 1 . 2]" 1
431 1 42 LEU H 1 42 LEU HB3 . . 3.540 3.440 3.379 3.482 . 0 0 "[ . 1 . 2]" 1
432 1 42 LEU H 1 42 LEU MD1 . . 4.130 3.621 3.385 4.004 . 0 0 "[ . 1 . 2]" 1
433 1 42 LEU H 1 42 LEU MD2 . . 4.100 3.930 3.712 4.087 . 0 0 "[ . 1 . 2]" 1
434 1 42 LEU H 1 42 LEU HG . . 4.380 2.896 2.729 3.106 . 0 0 "[ . 1 . 2]" 1
435 1 42 LEU H 1 43 LYS H . . 3.670 3.003 2.836 3.094 . 0 0 "[ . 1 . 2]" 1
436 1 42 LEU H 1 44 GLN H . . 4.970 4.738 4.228 4.917 . 0 0 "[ . 1 . 2]" 1
437 1 42 LEU HA 1 42 LEU MD2 . . 2.960 2.282 1.910 2.518 . 0 0 "[ . 1 . 2]" 1
438 1 42 LEU HA 1 42 LEU HG . . 3.630 2.569 2.400 2.809 . 0 0 "[ . 1 . 2]" 1
439 1 42 LEU HA 1 45 LYS H . . 3.840 3.176 3.103 3.233 . 0 0 "[ . 1 . 2]" 1
440 1 42 LEU HA 1 45 LYS HB3 . . 3.700 2.595 2.411 2.999 . 0 0 "[ . 1 . 2]" 1
441 1 42 LEU HB2 1 42 LEU MD1 . . 3.220 2.254 2.044 2.511 . 0 0 "[ . 1 . 2]" 1
442 1 42 LEU HB2 1 42 LEU MD2 . . 3.570 3.189 3.165 3.216 . 0 0 "[ . 1 . 2]" 1
443 1 42 LEU HB2 1 43 LYS H . . 3.820 2.857 2.737 2.988 . 0 0 "[ . 1 . 2]" 1
444 1 42 LEU HB3 1 42 LEU MD1 . . 3.180 2.446 2.194 2.618 . 0 0 "[ . 1 . 2]" 1
445 1 42 LEU HB3 1 42 LEU MD2 . . 3.260 2.252 2.106 2.500 . 0 0 "[ . 1 . 2]" 1
446 1 42 LEU HB3 1 46 ILE H . . 4.860 4.778 4.675 4.862 0.002 2 0 "[ . 1 . 2]" 1
447 1 42 LEU HB3 1 46 ILE MD . . 3.840 2.028 1.945 2.228 . 0 0 "[ . 1 . 2]" 1
448 1 42 LEU HB3 1 46 ILE HG12 . . 4.400 4.409 4.363 4.453 0.053 16 0 "[ . 1 . 2]" 1
449 1 42 LEU HB3 1 46 ILE HG13 . . 3.810 3.752 3.559 3.827 0.017 4 0 "[ . 1 . 2]" 1
450 1 42 LEU MD1 1 82 ILE MD . . 4.160 2.645 1.899 3.233 . 0 0 "[ . 1 . 2]" 1
451 1 42 LEU MD2 1 43 LYS H . . 4.690 4.577 4.418 4.697 0.007 19 0 "[ . 1 . 2]" 1
452 1 42 LEU MD2 1 45 LYS HB2 . . 3.840 3.551 3.121 3.847 0.007 18 0 "[ . 1 . 2]" 1
453 1 42 LEU MD2 1 45 LYS HB3 . . 3.790 3.013 2.591 3.355 . 0 0 "[ . 1 . 2]" 1
454 1 42 LEU MD2 1 46 ILE MD . . 2.690 2.353 2.090 2.545 . 0 0 "[ . 1 . 2]" 1
455 1 42 LEU MD2 1 46 ILE HG12 . . 3.260 3.249 3.122 3.276 0.016 13 0 "[ . 1 . 2]" 1
456 1 42 LEU MD2 1 46 ILE HG13 . . 3.770 2.818 2.465 3.005 . 0 0 "[ . 1 . 2]" 1
457 1 42 LEU MD2 1 71 LEU MD2 . . 2.790 2.241 1.931 2.602 . 0 0 "[ . 1 . 2]" 1
458 1 42 LEU MD2 1 82 ILE MD . . 2.660 2.524 2.210 2.666 0.006 16 0 "[ . 1 . 2]" 1
459 1 42 LEU HG 1 71 LEU MD1 . . 3.500 2.697 2.319 2.959 . 0 0 "[ . 1 . 2]" 1
460 1 42 LEU HG 1 71 LEU MD2 . . 3.760 2.255 1.960 3.158 . 0 0 "[ . 1 . 2]" 1
461 1 42 LEU HG 1 71 LEU HG . . 3.760 3.348 3.061 3.765 0.005 12 0 "[ . 1 . 2]" 1
462 1 43 LYS H 1 43 LYS HB2 . . 3.520 2.370 2.213 2.643 . 0 0 "[ . 1 . 2]" 1
463 1 43 LYS H 1 43 LYS HB3 . . 3.580 3.523 3.483 3.542 . 0 0 "[ . 1 . 2]" 1
464 1 43 LYS H 1 43 LYS HG2 . . 4.060 2.914 1.899 3.968 . 0 0 "[ . 1 . 2]" 1
465 1 43 LYS H 1 43 LYS HG3 . . 3.480 3.399 2.723 3.616 0.136 12 0 "[ . 1 . 2]" 1
466 1 43 LYS H 1 44 GLN H . . 3.580 3.071 2.739 3.194 . 0 0 "[ . 1 . 2]" 1
467 1 43 LYS H 1 45 LYS H . . 3.760 3.731 3.642 3.836 0.076 16 0 "[ . 1 . 2]" 1
468 1 43 LYS HA 1 43 LYS HG2 . . 3.980 3.074 2.587 3.562 . 0 0 "[ . 1 . 2]" 1
469 1 43 LYS HA 1 45 LYS H . . 3.990 3.949 3.859 4.004 0.014 6 0 "[ . 1 . 2]" 1
470 1 43 LYS HA 1 46 ILE H . . 4.110 3.345 3.149 3.461 . 0 0 "[ . 1 . 2]" 1
471 1 43 LYS HA 1 46 ILE HB . . 3.400 3.150 2.754 3.351 . 0 0 "[ . 1 . 2]" 1
472 1 43 LYS HA 1 46 ILE MD . . 3.420 2.161 1.916 2.588 . 0 0 "[ . 1 . 2]" 1
473 1 43 LYS HB2 1 43 LYS QD . . 3.810 2.845 2.196 3.327 . 0 0 "[ . 1 . 2]" 1
474 1 43 LYS HB2 1 44 GLN H . . 3.840 2.442 2.273 2.672 . 0 0 "[ . 1 . 2]" 1
475 1 43 LYS HB3 1 44 GLN H . . 4.330 3.166 2.939 3.834 . 0 0 "[ . 1 . 2]" 1
476 1 43 LYS HB3 1 44 GLN HA . . 4.180 4.172 4.044 4.605 0.425 13 0 "[ . 1 . 2]" 1
477 1 43 LYS HB3 1 54 PRO HA . . 3.930 3.766 2.409 3.954 0.024 9 0 "[ . 1 . 2]" 1
478 1 43 LYS QD 1 46 ILE MD . . 3.160 3.070 2.915 3.145 . 0 0 "[ . 1 . 2]" 1
479 1 43 LYS QE 1 59 VAL MG2 . . 3.550 2.004 1.723 3.553 0.003 18 0 "[ . 1 . 2]" 1
480 1 43 LYS HG2 1 59 VAL MG2 . . 3.300 2.784 1.916 3.303 0.003 17 0 "[ . 1 . 2]" 1
481 1 44 GLN H 1 44 GLN QB . . 3.230 2.305 2.030 2.478 . 0 0 "[ . 1 . 2]" 1
482 1 44 GLN H 1 44 GLN HG2 . . 3.710 2.849 2.119 3.598 . 0 0 "[ . 1 . 2]" 1
483 1 44 GLN H 1 44 GLN HG3 . . 3.590 2.956 1.964 3.563 . 0 0 "[ . 1 . 2]" 1
484 1 44 GLN HA 1 44 GLN HG2 . . 3.820 2.336 1.963 2.656 . 0 0 "[ . 1 . 2]" 1
485 1 44 GLN HA 1 44 GLN HG3 . . 3.690 3.464 2.937 3.770 0.080 18 0 "[ . 1 . 2]" 1
486 1 44 GLN HA 1 47 HIS H . . 4.010 3.270 3.151 3.416 . 0 0 "[ . 1 . 2]" 1
487 1 44 GLN HA 1 47 HIS HB2 . . 3.970 3.969 3.904 3.997 0.027 19 0 "[ . 1 . 2]" 1
488 1 44 GLN HA 1 47 HIS HB3 . . 3.520 2.305 2.254 2.482 . 0 0 "[ . 1 . 2]" 1
489 1 44 GLN QB 1 45 LYS H . . 3.690 3.126 3.048 3.227 . 0 0 "[ . 1 . 2]" 1
490 1 44 GLN QB 1 45 LYS QD . . 3.530 3.409 3.338 3.466 . 0 0 "[ . 1 . 2]" 1
491 1 45 LYS H 1 45 LYS HB2 . . 3.240 2.106 2.071 2.185 . 0 0 "[ . 1 . 2]" 1
492 1 45 LYS H 1 45 LYS HB3 . . 3.510 3.097 3.036 3.129 . 0 0 "[ . 1 . 2]" 1
493 1 45 LYS H 1 45 LYS QD . . 4.500 3.126 3.024 3.327 . 0 0 "[ . 1 . 2]" 1
494 1 45 LYS H 1 45 LYS HG2 . . 4.590 4.420 4.360 4.517 . 0 0 "[ . 1 . 2]" 1
495 1 45 LYS H 1 46 ILE H . . 3.590 2.356 2.224 2.421 . 0 0 "[ . 1 . 2]" 1
496 1 45 LYS H 1 47 HIS H . . 4.670 3.847 3.643 4.029 . 0 0 "[ . 1 . 2]" 1
497 1 45 LYS HA 1 45 LYS QD . . 3.240 2.019 1.946 2.163 . 0 0 "[ . 1 . 2]" 1
498 1 45 LYS HA 1 45 LYS HG2 . . 4.100 3.507 3.504 3.512 . 0 0 "[ . 1 . 2]" 1
499 1 45 LYS HB2 1 45 LYS QD . . 3.420 2.475 2.446 2.528 . 0 0 "[ . 1 . 2]" 1
500 1 45 LYS HB2 1 46 ILE H . . 3.900 3.530 3.476 3.576 . 0 0 "[ . 1 . 2]" 1
501 1 45 LYS HB3 1 45 LYS QD . . 3.520 3.349 3.335 3.376 . 0 0 "[ . 1 . 2]" 1
502 1 45 LYS HB3 1 46 ILE H . . 3.880 3.272 3.137 3.348 . 0 0 "[ . 1 . 2]" 1
503 1 46 ILE H 1 46 ILE HB . . 3.130 2.532 2.480 2.560 . 0 0 "[ . 1 . 2]" 1
504 1 46 ILE H 1 46 ILE MD . . 3.800 2.883 2.721 3.110 . 0 0 "[ . 1 . 2]" 1
505 1 46 ILE H 1 46 ILE HG12 . . 3.740 3.743 3.566 3.783 0.043 6 0 "[ . 1 . 2]" 1
506 1 46 ILE H 1 46 ILE HG13 . . 3.450 2.270 2.053 2.314 . 0 0 "[ . 1 . 2]" 1
507 1 46 ILE H 1 46 ILE MG . . 4.150 3.769 3.733 3.781 . 0 0 "[ . 1 . 2]" 1
508 1 46 ILE H 1 47 HIS H . . 3.860 2.274 2.190 2.443 . 0 0 "[ . 1 . 2]" 1
509 1 46 ILE HA 1 46 ILE MD . . 3.950 3.907 3.891 3.924 . 0 0 "[ . 1 . 2]" 1
510 1 46 ILE HA 1 46 ILE HG12 . . 3.770 3.021 2.894 3.092 . 0 0 "[ . 1 . 2]" 1
511 1 46 ILE HA 1 46 ILE HG13 . . 3.480 2.725 2.680 2.796 . 0 0 "[ . 1 . 2]" 1
512 1 46 ILE HA 1 46 ILE MG . . 3.010 2.243 2.201 2.319 . 0 0 "[ . 1 . 2]" 1
513 1 46 ILE HA 1 49 ILE H . . 4.200 3.391 3.241 3.523 . 0 0 "[ . 1 . 2]" 1
514 1 46 ILE HA 1 49 ILE HB . . 3.530 3.462 3.304 3.554 0.024 16 0 "[ . 1 . 2]" 1
515 1 46 ILE HA 1 49 ILE MD . . 3.540 2.600 2.271 2.907 . 0 0 "[ . 1 . 2]" 1
516 1 46 ILE HA 1 49 ILE HG13 . . 3.850 2.746 2.423 2.995 . 0 0 "[ . 1 . 2]" 1
517 1 46 ILE HA 1 50 THR H . . 3.680 3.601 3.416 3.700 0.020 15 0 "[ . 1 . 2]" 1
518 1 46 ILE HA 1 50 THR MG . . 3.350 3.323 3.180 3.404 0.054 16 0 "[ . 1 . 2]" 1
519 1 46 ILE HB 1 46 ILE MD . . 3.180 2.078 1.944 2.166 . 0 0 "[ . 1 . 2]" 1
520 1 46 ILE HB 1 47 HIS H . . 3.910 2.681 2.541 2.851 . 0 0 "[ . 1 . 2]" 1
521 1 46 ILE HB 1 57 GLN HE22 . . 3.880 2.343 1.965 3.138 . 0 0 "[ . 1 . 2]" 1
522 1 46 ILE MD 1 46 ILE MG . . 2.800 2.499 2.336 2.605 . 0 0 "[ . 1 . 2]" 1
523 1 46 ILE HG13 1 46 ILE MG . . 3.530 3.139 3.110 3.184 . 0 0 "[ . 1 . 2]" 1
524 1 46 ILE MG 1 47 HIS H . . 4.260 3.714 3.581 3.876 . 0 0 "[ . 1 . 2]" 1
525 1 46 ILE MG 1 49 ILE HB . . 3.750 3.573 3.410 3.680 . 0 0 "[ . 1 . 2]" 1
526 1 46 ILE MG 1 57 GLN HE21 . . 4.420 3.902 3.314 4.261 . 0 0 "[ . 1 . 2]" 1
527 1 46 ILE MG 1 57 GLN HE22 . . 4.040 2.843 2.273 3.495 . 0 0 "[ . 1 . 2]" 1
528 1 47 HIS H 1 47 HIS HB2 . . 3.480 2.910 2.788 3.047 . 0 0 "[ . 1 . 2]" 1
529 1 47 HIS H 1 47 HIS HB3 . . 3.510 2.091 2.043 2.164 . 0 0 "[ . 1 . 2]" 1
530 1 47 HIS H 1 48 SER H . . 3.870 2.668 2.546 2.778 . 0 0 "[ . 1 . 2]" 1
531 1 47 HIS H 1 57 GLN HE21 . . 4.350 3.771 3.300 4.358 0.008 19 0 "[ . 1 . 2]" 1
532 1 47 HIS H 1 57 GLN HE22 . . 3.890 2.469 2.105 2.958 . 0 0 "[ . 1 . 2]" 1
533 1 47 HIS HA 1 47 HIS HD2 . . 3.440 3.229 3.026 3.444 0.004 16 0 "[ . 1 . 2]" 1
534 1 47 HIS HA 1 50 THR H . . 4.910 3.535 3.372 3.715 . 0 0 "[ . 1 . 2]" 1
535 1 47 HIS HA 1 52 LEU H . . 3.850 3.424 2.900 3.864 0.014 5 0 "[ . 1 . 2]" 1
536 1 47 HIS HA 1 57 GLN HE21 . . 4.660 3.096 2.461 3.837 . 0 0 "[ . 1 . 2]" 1
537 1 47 HIS HA 1 57 GLN HE22 . . 5.110 2.650 1.946 3.515 . 0 0 "[ . 1 . 2]" 1
538 1 47 HIS HB2 1 48 SER H . . 4.340 4.361 4.230 4.444 0.104 20 0 "[ . 1 . 2]" 1
539 1 47 HIS HB2 1 53 PRO HA . . 4.390 3.767 3.334 4.130 . 0 0 "[ . 1 . 2]" 1
540 1 47 HIS HB2 1 54 PRO HD3 . . 3.860 3.173 2.743 3.706 . 0 0 "[ . 1 . 2]" 1
541 1 47 HIS HB2 1 54 PRO HG3 . . 4.300 3.711 3.229 4.329 0.029 16 0 "[ . 1 . 2]" 1
542 1 47 HIS HB2 1 57 GLN HE21 . . 4.360 2.586 2.178 3.101 . 0 0 "[ . 1 . 2]" 1
543 1 47 HIS HB2 1 57 GLN HE22 . . 3.980 2.791 1.947 3.168 . 0 0 "[ . 1 . 2]" 1
544 1 47 HIS HB3 1 48 SER H . . 3.800 3.246 3.018 3.395 . 0 0 "[ . 1 . 2]" 1
545 1 47 HIS HB3 1 57 GLN HE21 . . 5.270 3.869 3.375 4.249 . 0 0 "[ . 1 . 2]" 1
546 1 47 HIS HB3 1 57 GLN HE22 . . 5.140 3.388 2.671 3.658 . 0 0 "[ . 1 . 2]" 1
547 1 47 HIS HD2 1 51 GLY H . . 4.740 3.790 3.448 4.283 . 0 0 "[ . 1 . 2]" 1
548 1 47 HIS HD2 1 51 GLY HA2 . . 3.560 3.212 3.007 3.450 . 0 0 "[ . 1 . 2]" 1
549 1 47 HIS HD2 1 52 LEU H . . 4.410 3.845 3.609 4.079 . 0 0 "[ . 1 . 2]" 1
550 1 47 HIS HD2 1 53 PRO HA . . 3.710 3.653 3.511 3.718 0.008 13 0 "[ . 1 . 2]" 1
551 1 48 SER H 1 48 SER QB . . 3.210 2.080 2.015 2.234 . 0 0 "[ . 1 . 2]" 1
552 1 48 SER H 1 49 ILE H . . 3.800 2.547 2.421 2.715 . 0 0 "[ . 1 . 2]" 1
553 1 48 SER H 1 49 ILE HG12 . . 4.980 4.642 4.336 4.921 . 0 0 "[ . 1 . 2]" 1
554 1 48 SER QB 1 49 ILE H . . 3.710 3.226 3.149 3.281 . 0 0 "[ . 1 . 2]" 1
555 1 49 ILE H 1 49 ILE HB . . 3.360 2.843 2.763 2.954 . 0 0 "[ . 1 . 2]" 1
556 1 49 ILE H 1 49 ILE MD . . 4.260 3.740 3.686 3.811 . 0 0 "[ . 1 . 2]" 1
557 1 49 ILE H 1 49 ILE HG12 . . 3.280 3.265 3.086 3.303 0.023 16 0 "[ . 1 . 2]" 1
558 1 49 ILE H 1 49 ILE HG13 . . 3.740 2.140 2.002 2.215 . 0 0 "[ . 1 . 2]" 1
559 1 49 ILE H 1 49 ILE MG . . 3.950 3.863 3.846 3.869 . 0 0 "[ . 1 . 2]" 1
560 1 49 ILE H 1 50 THR H . . 3.360 2.267 2.254 2.329 . 0 0 "[ . 1 . 2]" 1
561 1 49 ILE H 1 50 THR MG . . 4.130 3.792 3.546 3.956 . 0 0 "[ . 1 . 2]" 1
562 1 49 ILE H 1 51 GLY H . . 4.700 3.091 3.000 3.266 . 0 0 "[ . 1 . 2]" 1
563 1 49 ILE HA 1 49 ILE MD . . 3.990 3.924 3.886 3.966 . 0 0 "[ . 1 . 2]" 1
564 1 49 ILE HA 1 49 ILE HG13 . . 3.530 3.357 3.328 3.435 . 0 0 "[ . 1 . 2]" 1
565 1 49 ILE HA 1 49 ILE MG . . 3.160 2.144 1.982 2.252 . 0 0 "[ . 1 . 2]" 1
566 1 49 ILE HA 1 51 GLY H . . 4.150 4.185 4.160 4.223 0.073 19 0 "[ . 1 . 2]" 1
567 1 49 ILE HB 1 49 ILE MD . . 3.420 2.406 2.367 2.453 . 0 0 "[ . 1 . 2]" 1
568 1 49 ILE HB 1 50 THR H . . 3.630 2.290 2.235 2.338 . 0 0 "[ . 1 . 2]" 1
569 1 49 ILE HB 1 50 THR MG . . 3.500 3.002 2.874 3.118 . 0 0 "[ . 1 . 2]" 1
570 1 49 ILE HG13 1 49 ILE MG . . 3.310 3.229 3.225 3.237 . 0 0 "[ . 1 . 2]" 1
571 1 49 ILE HG13 1 50 THR H . . 5.060 3.478 3.230 3.598 . 0 0 "[ . 1 . 2]" 1
572 1 50 THR H 1 50 THR MG . . 3.480 2.018 1.860 2.149 . 0 0 "[ . 1 . 2]" 1
573 1 50 THR H 1 51 GLY H . . 3.290 2.768 2.702 2.874 . 0 0 "[ . 1 . 2]" 1
574 1 50 THR HA 1 50 THR MG . . 3.190 2.366 2.301 2.444 . 0 0 "[ . 1 . 2]" 1
575 1 50 THR HA 1 52 LEU H . . 4.960 3.991 3.941 4.039 . 0 0 "[ . 1 . 2]" 1
576 1 50 THR HB 1 51 GLY H . . 4.950 3.856 3.802 3.945 . 0 0 "[ . 1 . 2]" 1
577 1 50 THR HB 1 52 LEU H . . 3.990 2.801 2.694 2.949 . 0 0 "[ . 1 . 2]" 1
578 1 50 THR HB 1 52 LEU MD1 . . 4.310 4.138 3.853 4.388 0.078 19 0 "[ . 1 . 2]" 1
579 1 50 THR HB 1 52 LEU HG . . 4.390 4.287 4.019 4.439 0.049 13 0 "[ . 1 . 2]" 1
580 1 50 THR HG1 1 51 GLY H . . 4.080 2.663 1.968 3.692 . 0 0 "[ . 1 . 2]" 1
581 1 50 THR HG1 1 52 LEU H . . 3.650 2.661 1.948 3.592 . 0 0 "[ . 1 . 2]" 1
582 1 50 THR MG 1 51 GLY H . . 4.900 3.980 3.824 4.061 . 0 0 "[ . 1 . 2]" 1
583 1 51 GLY H 1 52 LEU H . . 3.680 2.762 2.640 3.032 . 0 0 "[ . 1 . 2]" 1
584 1 52 LEU H 1 52 LEU HB2 . . 3.620 3.522 3.444 3.580 . 0 0 "[ . 1 . 2]" 1
585 1 52 LEU H 1 52 LEU HB3 . . 3.210 2.265 2.142 2.357 . 0 0 "[ . 1 . 2]" 1
586 1 52 LEU H 1 52 LEU MD2 . . 4.360 2.287 2.082 2.644 . 0 0 "[ . 1 . 2]" 1
587 1 52 LEU H 1 52 LEU HG . . 3.770 3.470 3.153 3.587 . 0 0 "[ . 1 . 2]" 1
588 1 52 LEU HA 1 52 LEU MD1 . . 3.710 3.803 3.687 3.845 0.135 14 0 "[ . 1 . 2]" 1
589 1 52 LEU HA 1 53 PRO HD2 . . 3.180 2.938 2.927 2.958 . 0 0 "[ . 1 . 2]" 1
590 1 52 LEU HA 1 53 PRO HD3 . . 3.140 2.138 2.130 2.154 . 0 0 "[ . 1 . 2]" 1
591 1 52 LEU HB2 1 52 LEU MD2 . . 3.520 3.113 2.969 3.160 . 0 0 "[ . 1 . 2]" 1
592 1 52 LEU HB3 1 52 LEU MD1 . . 3.590 2.774 2.721 2.905 . 0 0 "[ . 1 . 2]" 1
593 1 52 LEU HB3 1 52 LEU MD2 . . 3.490 2.169 1.949 2.256 . 0 0 "[ . 1 . 2]" 1
594 1 52 LEU MD1 1 53 PRO HD2 . . 4.170 2.223 1.909 2.360 . 0 0 "[ . 1 . 2]" 1
595 1 52 LEU MD1 1 56 MET HB2 . . 4.010 3.311 2.570 3.897 . 0 0 "[ . 1 . 2]" 1
596 1 52 LEU MD1 1 56 MET HB3 . . 3.960 2.711 2.312 2.996 . 0 0 "[ . 1 . 2]" 1
597 1 52 LEU MD1 1 57 GLN HG2 . . 4.080 2.685 2.232 2.996 . 0 0 "[ . 1 . 2]" 1
598 1 52 LEU MD2 1 57 GLN HA . . 4.020 3.779 3.434 4.037 0.017 19 0 "[ . 1 . 2]" 1
599 1 52 LEU MD2 1 57 GLN HB3 . . 4.250 4.225 4.117 4.286 0.036 19 0 "[ . 1 . 2]" 1
600 1 52 LEU MD2 1 57 GLN HG2 . . 3.760 2.032 1.961 2.231 . 0 0 "[ . 1 . 2]" 1
601 1 52 LEU MD2 1 57 GLN HG3 . . 4.280 2.392 2.253 2.796 . 0 0 "[ . 1 . 2]" 1
602 1 52 LEU HG 1 57 GLN HE21 . . 4.800 2.981 1.945 3.771 . 0 0 "[ . 1 . 2]" 1
603 1 52 LEU HG 1 57 GLN HG2 . . 3.850 3.377 2.925 3.562 . 0 0 "[ . 1 . 2]" 1
604 1 52 LEU HG 1 57 GLN HG3 . . 4.010 2.448 1.996 2.741 . 0 0 "[ . 1 . 2]" 1
605 1 53 PRO HA 1 54 PRO HD2 . . 3.000 2.566 2.502 2.635 . 0 0 "[ . 1 . 2]" 1
606 1 53 PRO HA 1 54 PRO HD3 . . 2.910 1.959 1.943 1.983 . 0 0 "[ . 1 . 2]" 1
607 1 53 PRO HA 1 54 PRO HG3 . . 4.190 4.216 4.200 4.238 0.048 13 0 "[ . 1 . 2]" 1
608 1 53 PRO HB2 1 55 ALA H . . 4.360 2.777 2.614 2.890 . 0 0 "[ . 1 . 2]" 1
609 1 53 PRO HB2 1 56 MET H . . 4.470 2.808 2.695 3.197 . 0 0 "[ . 1 . 2]" 1
610 1 53 PRO HB3 1 54 PRO HD2 . . 3.760 3.176 3.083 3.270 . 0 0 "[ . 1 . 2]" 1
611 1 53 PRO HB3 1 54 PRO HD3 . . 3.980 3.682 3.580 3.779 . 0 0 "[ . 1 . 2]" 1
612 1 53 PRO HB3 1 55 ALA H . . 3.960 4.094 4.006 4.195 0.235 16 0 "[ . 1 . 2]" 1
613 1 53 PRO HD2 1 56 MET HB2 . . 4.050 3.463 3.132 4.289 0.239 8 0 "[ . 1 . 2]" 1
614 1 53 PRO HD2 1 56 MET HB3 . . 4.450 3.784 2.999 4.142 . 0 0 "[ . 1 . 2]" 1
615 1 54 PRO HA 1 56 MET H . . 5.030 3.741 3.324 3.964 . 0 0 "[ . 1 . 2]" 1
616 1 54 PRO HA 1 57 GLN H . . 4.410 3.290 2.620 3.714 . 0 0 "[ . 1 . 2]" 1
617 1 54 PRO HA 1 57 GLN HB2 . . 3.420 2.038 1.967 2.199 . 0 0 "[ . 1 . 2]" 1
618 1 54 PRO HA 1 57 GLN HE21 . . 3.930 2.745 1.985 4.022 0.092 16 0 "[ . 1 . 2]" 1
619 1 54 PRO HA 1 57 GLN HE22 . . 4.030 3.860 3.466 4.042 0.012 13 0 "[ . 1 . 2]" 1
620 1 54 PRO HA 1 57 GLN HG3 . . 4.090 2.669 2.275 3.380 . 0 0 "[ . 1 . 2]" 1
621 1 54 PRO HB2 1 55 ALA H . . 3.470 3.440 3.330 3.531 0.061 12 0 "[ . 1 . 2]" 1
622 1 54 PRO HD2 1 55 ALA H . . 4.300 2.264 2.253 2.283 . 0 0 "[ . 1 . 2]" 1
623 1 54 PRO HD2 1 56 MET H . . 5.110 4.318 4.249 4.441 . 0 0 "[ . 1 . 2]" 1
624 1 54 PRO HD3 1 57 GLN HE21 . . 5.230 4.485 4.020 5.413 0.183 16 0 "[ . 1 . 2]" 1
625 1 55 ALA H 1 55 ALA MB . . 2.890 2.066 1.935 2.160 . 0 0 "[ . 1 . 2]" 1
626 1 55 ALA H 1 56 MET H . . 3.770 2.658 2.586 2.742 . 0 0 "[ . 1 . 2]" 1
627 1 55 ALA H 1 56 MET HB2 . . 4.670 4.586 4.365 5.390 0.720 8 1 "[ . + 1 . 2]" 1
628 1 55 ALA H 1 57 GLN H . . 4.860 4.197 3.827 4.380 . 0 0 "[ . 1 . 2]" 1
629 1 55 ALA MB 1 56 MET H . . 3.710 2.871 2.667 3.131 . 0 0 "[ . 1 . 2]" 1
630 1 55 ALA MB 1 56 MET HB2 . . 4.180 3.897 3.746 4.270 0.090 8 0 "[ . 1 . 2]" 1
631 1 56 MET H 1 56 MET HB2 . . 3.690 2.240 2.025 3.089 . 0 0 "[ . 1 . 2]" 1
632 1 56 MET H 1 56 MET HB3 . . 3.500 3.255 2.150 3.397 . 0 0 "[ . 1 . 2]" 1
633 1 56 MET H 1 56 MET HG2 . . 3.810 4.003 3.552 4.628 0.818 13 7 "[- ** * 1 *+ .* 2]" 1
634 1 56 MET H 1 57 GLN H . . 3.300 2.627 2.003 2.931 . 0 0 "[ . 1 . 2]" 1
635 1 56 MET H 1 57 GLN HA . . 4.930 4.708 4.598 4.928 . 0 0 "[ . 1 . 2]" 1
636 1 56 MET H 1 57 GLN HG3 . . 4.980 4.158 3.912 4.413 . 0 0 "[ . 1 . 2]" 1
637 1 56 MET HA 1 56 MET ME . . 4.300 3.766 2.883 4.261 . 0 0 "[ . 1 . 2]" 1
638 1 57 GLN H 1 57 GLN HB2 . . 3.390 2.305 2.195 2.359 . 0 0 "[ . 1 . 2]" 1
639 1 57 GLN H 1 57 GLN HB3 . . 3.420 3.467 3.428 3.535 0.115 16 0 "[ . 1 . 2]" 1
640 1 57 GLN H 1 57 GLN HG2 . . 4.170 4.019 3.364 4.197 0.027 13 0 "[ . 1 . 2]" 1
641 1 57 GLN H 1 57 GLN HG3 . . 3.690 3.357 2.358 3.708 0.018 5 0 "[ . 1 . 2]" 1
642 1 57 GLN H 1 58 LYS H . . 4.840 4.570 4.495 4.657 . 0 0 "[ . 1 . 2]" 1
643 1 57 GLN HA 1 57 GLN HG2 . . 3.650 2.161 2.075 2.549 . 0 0 "[ . 1 . 2]" 1
644 1 57 GLN HA 1 57 GLN HG3 . . 3.800 2.924 2.618 3.102 . 0 0 "[ . 1 . 2]" 1
645 1 57 GLN HA 1 58 LYS H . . 2.960 2.410 2.292 2.534 . 0 0 "[ . 1 . 2]" 1
646 1 57 GLN HB2 1 59 VAL MG2 . . 3.770 3.775 3.611 3.823 0.053 16 0 "[ . 1 . 2]" 1
647 1 57 GLN HB3 1 59 VAL MG2 . . 3.030 2.804 2.610 3.046 0.016 19 0 "[ . 1 . 2]" 1
648 1 57 GLN HB3 1 84 VAL MG1 . . 3.750 3.289 2.551 3.745 . 0 0 "[ . 1 . 2]" 1
649 1 57 GLN HG2 1 84 VAL MG1 . . 3.990 2.259 1.923 2.840 . 0 0 "[ . 1 . 2]" 1
650 1 58 LYS H 1 58 LYS QB . . 3.450 2.514 2.428 2.560 . 0 0 "[ . 1 . 2]" 1
651 1 58 LYS H 1 58 LYS HG2 . . 4.480 4.503 3.910 4.981 0.501 1 1 "[+ . 1 . 2]" 1
652 1 58 LYS H 1 59 VAL MG2 . . 4.130 3.787 3.394 4.126 . 0 0 "[ . 1 . 2]" 1
653 1 58 LYS H 1 84 VAL MG1 . . 4.450 2.850 2.379 3.720 . 0 0 "[ . 1 . 2]" 1
654 1 58 LYS H 1 85 VAL H . . 4.060 2.340 1.897 2.755 . 0 0 "[ . 1 . 2]" 1
655 1 58 LYS HA 1 58 LYS HG2 . . 4.000 2.719 1.989 3.775 . 0 0 "[ . 1 . 2]" 1
656 1 58 LYS HA 1 58 LYS HG3 . . 4.130 2.696 1.998 3.491 . 0 0 "[ . 1 . 2]" 1
657 1 58 LYS HA 1 59 VAL H . . 3.000 2.258 2.197 2.268 . 0 0 "[ . 1 . 2]" 1
658 1 58 LYS HA 1 59 VAL MG2 . . 3.980 3.606 3.469 3.711 . 0 0 "[ . 1 . 2]" 1
659 1 58 LYS QB 1 59 VAL H . . 4.360 3.997 3.831 4.092 . 0 0 "[ . 1 . 2]" 1
660 1 58 LYS QB 1 85 VAL H . . 4.130 3.092 2.626 3.726 . 0 0 "[ . 1 . 2]" 1
661 1 58 LYS QB 1 85 VAL HB . . 3.290 2.477 1.906 3.358 0.068 17 0 "[ . 1 . 2]" 1
662 1 58 LYS QB 1 85 VAL QG . . 3.450 1.944 1.514 2.934 . 0 0 "[ . 1 . 2]" 1
663 1 58 LYS QE 1 58 LYS HG2 . . 3.440 2.566 1.991 3.398 . 0 0 "[ . 1 . 2]" 1
664 1 58 LYS HG2 1 59 VAL H . . 5.050 4.322 3.626 5.240 0.190 11 0 "[ . 1 . 2]" 1
665 1 59 VAL H 1 59 VAL HB . . 3.300 2.573 2.465 2.761 . 0 0 "[ . 1 . 2]" 1
666 1 59 VAL H 1 59 VAL MG1 . . 4.180 3.744 3.717 3.834 . 0 0 "[ . 1 . 2]" 1
667 1 59 VAL H 1 59 VAL MG2 . . 3.330 2.013 1.917 2.312 . 0 0 "[ . 1 . 2]" 1
668 1 59 VAL HA 1 59 VAL MG1 . . 3.150 2.267 2.074 2.399 . 0 0 "[ . 1 . 2]" 1
669 1 59 VAL HA 1 59 VAL MG2 . . 3.300 2.523 2.450 2.578 . 0 0 "[ . 1 . 2]" 1
670 1 59 VAL HA 1 60 MET H . . 3.220 2.204 2.183 2.232 . 0 0 "[ . 1 . 2]" 1
671 1 59 VAL HB 1 65 VAL H . . 4.760 4.756 4.698 4.784 0.024 14 0 "[ . 1 . 2]" 1
672 1 59 VAL HB 1 65 VAL HB . . 3.540 3.454 3.361 3.543 0.003 2 0 "[ . 1 . 2]" 1
673 1 59 VAL MG1 1 60 MET H . . 3.490 3.199 3.053 3.371 . 0 0 "[ . 1 . 2]" 1
674 1 59 VAL MG1 1 65 VAL HB . . 3.520 2.768 2.391 3.060 . 0 0 "[ . 1 . 2]" 1
675 1 60 MET H 1 60 MET QB . . 3.370 2.638 2.565 2.647 . 0 0 "[ . 1 . 2]" 1
676 1 60 MET H 1 60 MET QG . . 3.820 3.795 3.728 3.826 0.006 14 0 "[ . 1 . 2]" 1
677 1 60 MET H 1 61 TYR H . . 5.160 4.092 4.082 4.143 . 0 0 "[ . 1 . 2]" 1
678 1 60 MET H 1 65 VAL MG2 . . 4.280 4.277 4.147 4.299 0.019 17 0 "[ . 1 . 2]" 1
679 1 60 MET H 1 82 ILE MG . . 3.800 3.623 3.385 3.807 0.007 12 0 "[ . 1 . 2]" 1
680 1 60 MET H 1 83 MET H . . 4.220 3.485 3.010 4.187 . 0 0 "[ . 1 . 2]" 1
681 1 60 MET HA 1 60 MET ME . . 4.220 3.695 3.554 3.838 . 0 0 "[ . 1 . 2]" 1
682 1 60 MET HA 1 60 MET QG . . 3.510 2.147 2.102 2.182 . 0 0 "[ . 1 . 2]" 1
683 1 60 MET HA 1 61 TYR H . . 3.010 2.205 2.204 2.206 . 0 0 "[ . 1 . 2]" 1
684 1 60 MET HA 1 65 VAL H . . 4.270 3.430 3.273 3.710 . 0 0 "[ . 1 . 2]" 1
685 1 60 MET HA 1 65 VAL MG2 . . 3.530 2.911 2.839 3.000 . 0 0 "[ . 1 . 2]" 1
686 1 60 MET QB 1 61 TYR H . . 3.570 3.538 3.507 3.578 0.008 14 0 "[ . 1 . 2]" 1
687 1 60 MET QB 1 63 GLY H . . 5.160 3.779 3.696 3.984 . 0 0 "[ . 1 . 2]" 1
688 1 60 MET ME 1 63 GLY HA2 . . 4.150 2.992 2.829 3.155 . 0 0 "[ . 1 . 2]" 1
689 1 60 MET ME 1 63 GLY HA3 . . 4.380 4.246 4.078 4.383 0.003 5 0 "[ . 1 . 2]" 1
690 1 60 MET ME 1 64 LEU H . . 4.950 3.389 3.199 3.658 . 0 0 "[ . 1 . 2]" 1
691 1 60 MET ME 1 64 LEU MD2 . . 3.900 2.020 1.890 2.291 . 0 0 "[ . 1 . 2]" 1
692 1 60 MET QG 1 61 TYR H . . 4.930 3.574 3.485 3.659 . 0 0 "[ . 1 . 2]" 1
693 1 60 MET QG 1 64 LEU H . . 5.020 4.028 3.788 4.517 . 0 0 "[ . 1 . 2]" 1
694 1 60 MET QG 1 64 LEU HA . . 3.910 2.140 1.974 2.953 . 0 0 "[ . 1 . 2]" 1
695 1 60 MET QG 1 64 LEU MD1 . . 3.990 2.641 2.347 3.403 . 0 0 "[ . 1 . 2]" 1
696 1 60 MET QG 1 64 LEU MD2 . . 3.650 2.389 2.151 2.802 . 0 0 "[ . 1 . 2]" 1
697 1 60 MET QG 1 65 VAL H . . 4.250 3.302 3.058 3.986 . 0 0 "[ . 1 . 2]" 1
698 1 61 TYR H 1 61 TYR QB . . 3.600 2.281 2.262 2.386 . 0 0 "[ . 1 . 2]" 1
699 1 61 TYR H 1 62 LYS H . . 4.460 4.010 3.979 4.055 . 0 0 "[ . 1 . 2]" 1
700 1 61 TYR H 1 63 GLY H . . 4.710 3.005 2.958 3.060 . 0 0 "[ . 1 . 2]" 1
701 1 61 TYR H 1 64 LEU HA . . 4.860 4.212 4.126 4.269 . 0 0 "[ . 1 . 2]" 1
702 1 61 TYR H 1 65 VAL MG2 . . 4.110 2.370 2.183 2.540 . 0 0 "[ . 1 . 2]" 1
703 1 61 TYR HA 1 61 TYR QD . . 3.140 2.393 2.212 3.191 0.051 14 0 "[ . 1 . 2]" 1
704 1 61 TYR QB 1 65 VAL MG2 . . 3.120 2.416 2.080 2.609 . 0 0 "[ . 1 . 2]" 1
705 1 61 TYR QB 1 74 ILE MD . . 3.880 3.218 2.323 3.498 . 0 0 "[ . 1 . 2]" 1
706 1 61 TYR QB 1 82 ILE MD . . 3.160 2.332 2.088 2.986 . 0 0 "[ . 1 . 2]" 1
707 1 61 TYR QB 1 82 ILE MG . . 3.950 3.875 3.601 3.958 0.008 16 0 "[ . 1 . 2]" 1
708 1 61 TYR QD 1 62 LYS H . . 3.840 2.986 2.706 3.593 . 0 0 "[ . 1 . 2]" 1
709 1 61 TYR QD 1 62 LYS HA . . 4.930 4.467 4.132 4.802 . 0 0 "[ . 1 . 2]" 1
710 1 61 TYR QD 1 62 LYS HB2 . . 4.070 3.126 2.679 4.722 0.652 5 1 "[ + 1 . 2]" 1
711 1 61 TYR QD 1 62 LYS HG3 . . 4.360 3.459 2.495 5.138 0.778 14 1 "[ . 1 +. 2]" 1
712 1 61 TYR QD 1 65 VAL MG2 . . 4.080 3.425 3.193 3.735 . 0 0 "[ . 1 . 2]" 1
713 1 61 TYR QD 1 74 ILE MD . . 3.550 2.548 2.104 3.086 . 0 0 "[ . 1 . 2]" 1
714 1 61 TYR QD 1 76 VAL MG2 . . 3.400 2.755 2.468 3.103 . 0 0 "[ . 1 . 2]" 1
715 1 61 TYR QD 1 80 ALA MB . . 3.820 3.529 3.220 3.777 . 0 0 "[ . 1 . 2]" 1
716 1 61 TYR QD 1 82 ILE MD . . 3.540 3.308 1.870 3.543 0.003 16 0 "[ . 1 . 2]" 1
717 1 61 TYR QE 1 76 VAL HA . . 3.560 2.696 2.165 3.286 . 0 0 "[ . 1 . 2]" 1
718 1 61 TYR QE 1 76 VAL MG2 . . 3.430 2.848 2.272 3.427 . 0 0 "[ . 1 . 2]" 1
719 1 61 TYR QE 1 80 ALA HA . . 4.350 3.676 3.078 4.333 . 0 0 "[ . 1 . 2]" 1
720 1 61 TYR QE 1 80 ALA MB . . 3.110 2.666 1.809 2.995 . 0 0 "[ . 1 . 2]" 1
721 1 61 TYR QE 1 81 LYS H . . 4.410 3.045 2.371 4.114 . 0 0 "[ . 1 . 2]" 1
722 1 62 LYS H 1 62 LYS HB2 . . 4.190 3.220 2.878 3.870 . 0 0 "[ . 1 . 2]" 1
723 1 62 LYS H 1 62 LYS HG2 . . 4.250 3.408 2.565 5.004 0.754 14 1 "[ . 1 +. 2]" 1
724 1 62 LYS H 1 62 LYS HG3 . . 5.220 3.396 2.603 4.395 . 0 0 "[ . 1 . 2]" 1
725 1 62 LYS H 1 63 GLY H . . 4.160 2.802 2.741 2.899 . 0 0 "[ . 1 . 2]" 1
726 1 62 LYS HA 1 62 LYS HG2 . . 3.960 2.358 1.993 3.931 . 0 0 "[ . 1 . 2]" 1
727 1 62 LYS HA 1 62 LYS HG3 . . 3.690 3.041 2.241 3.617 . 0 0 "[ . 1 . 2]" 1
728 1 62 LYS HA 1 63 GLY H . . 3.610 3.017 2.958 3.061 . 0 0 "[ . 1 . 2]" 1
729 1 62 LYS HB2 1 62 LYS QE . . 3.560 2.987 2.085 3.426 . 0 0 "[ . 1 . 2]" 1
730 1 62 LYS HB3 1 62 LYS QE . . 3.830 2.857 2.007 3.631 . 0 0 "[ . 1 . 2]" 1
731 1 62 LYS HB3 1 63 GLY H . . 5.220 4.422 4.234 4.603 . 0 0 "[ . 1 . 2]" 1
732 1 62 LYS QE 1 62 LYS HG2 . . 3.740 2.954 2.115 3.343 . 0 0 "[ . 1 . 2]" 1
733 1 62 LYS QE 1 62 LYS HG3 . . 3.640 2.462 1.989 3.329 . 0 0 "[ . 1 . 2]" 1
734 1 63 GLY HA2 1 64 LEU H . . 3.490 2.355 2.305 2.452 . 0 0 "[ . 1 . 2]" 1
735 1 63 GLY HA3 1 64 LEU H . . 3.470 2.931 2.804 3.009 . 0 0 "[ . 1 . 2]" 1
736 1 64 LEU H 1 64 LEU HB2 . . 3.520 2.270 2.221 2.331 . 0 0 "[ . 1 . 2]" 1
737 1 64 LEU H 1 64 LEU HB3 . . 3.360 3.499 3.483 3.515 0.155 14 0 "[ . 1 . 2]" 1
738 1 64 LEU H 1 64 LEU MD1 . . 4.280 3.937 3.897 4.001 . 0 0 "[ . 1 . 2]" 1
739 1 64 LEU H 1 64 LEU HG . . 3.660 3.491 3.348 3.554 . 0 0 "[ . 1 . 2]" 1
740 1 64 LEU HA 1 64 LEU MD1 . . 3.770 2.483 2.355 2.612 . 0 0 "[ . 1 . 2]" 1
741 1 64 LEU HA 1 64 LEU MD2 . . 3.300 2.067 2.024 2.090 . 0 0 "[ . 1 . 2]" 1
742 1 64 LEU HA 1 64 LEU HG . . 4.250 3.714 3.698 3.732 . 0 0 "[ . 1 . 2]" 1
743 1 64 LEU HA 1 65 VAL H . . 3.080 2.258 2.234 2.273 . 0 0 "[ . 1 . 2]" 1
744 1 64 LEU HA 1 65 VAL MG2 . . 3.770 3.783 3.763 3.817 0.047 17 0 "[ . 1 . 2]" 1
745 1 64 LEU HB2 1 64 LEU MD1 . . 3.620 3.145 3.107 3.163 . 0 0 "[ . 1 . 2]" 1
746 1 64 LEU HB2 1 64 LEU MD2 . . 3.420 2.650 2.630 2.707 . 0 0 "[ . 1 . 2]" 1
747 1 64 LEU HB2 1 65 VAL H . . 4.050 4.233 4.217 4.254 0.204 19 0 "[ . 1 . 2]" 1
748 1 64 LEU HB3 1 64 LEU MD1 . . 3.270 2.134 2.035 2.254 . 0 0 "[ . 1 . 2]" 1
749 1 64 LEU HB3 1 65 VAL H . . 4.220 3.086 3.044 3.158 . 0 0 "[ . 1 . 2]" 1
750 1 64 LEU MD1 1 65 VAL H . . 4.100 3.251 3.005 3.557 . 0 0 "[ . 1 . 2]" 1
751 1 64 LEU MD2 1 65 VAL H . . 4.080 4.082 4.036 4.102 0.022 17 0 "[ . 1 . 2]" 1
752 1 65 VAL H 1 65 VAL HB . . 3.240 2.307 2.263 2.352 . 0 0 "[ . 1 . 2]" 1
753 1 65 VAL H 1 65 VAL MG1 . . 3.760 3.634 3.610 3.657 . 0 0 "[ . 1 . 2]" 1
754 1 65 VAL H 1 65 VAL MG2 . . 2.950 2.931 2.840 2.971 0.021 11 0 "[ . 1 . 2]" 1
755 1 65 VAL H 1 66 PRO HD3 . . 4.910 4.244 4.107 4.547 . 0 0 "[ . 1 . 2]" 1
756 1 65 VAL HA 1 65 VAL MG1 . . 3.270 2.552 2.527 2.587 . 0 0 "[ . 1 . 2]" 1
757 1 65 VAL HA 1 65 VAL MG2 . . 3.150 2.291 2.250 2.303 . 0 0 "[ . 1 . 2]" 1
758 1 65 VAL HA 1 66 PRO HD2 . . 3.080 2.236 2.198 2.395 . 0 0 "[ . 1 . 2]" 1
759 1 65 VAL HA 1 66 PRO HD3 . . 2.880 2.010 1.915 2.072 . 0 0 "[ . 1 . 2]" 1
760 1 65 VAL HA 1 74 ILE MD . . 3.830 2.963 2.765 3.325 . 0 0 "[ . 1 . 2]" 1
761 1 65 VAL HA 1 74 ILE MG . . 4.140 3.676 3.505 3.909 . 0 0 "[ . 1 . 2]" 1
762 1 65 VAL MG1 1 66 PRO HD2 . . 3.520 2.690 2.062 2.996 . 0 0 "[ . 1 . 2]" 1
763 1 65 VAL MG2 1 66 PRO HD2 . . 3.610 3.603 3.459 3.653 0.043 10 0 "[ . 1 . 2]" 1
764 1 65 VAL MG2 1 66 PRO HD3 . . 3.860 3.860 3.693 3.918 0.058 17 0 "[ . 1 . 2]" 1
765 1 65 VAL MG2 1 74 ILE HG12 . . 4.260 3.340 3.178 3.640 . 0 0 "[ . 1 . 2]" 1
766 1 65 VAL MG2 1 74 ILE HG13 . . 4.310 4.272 4.236 4.286 . 0 0 "[ . 1 . 2]" 1
767 1 66 PRO HA 1 67 GLU H . . 3.130 2.174 2.148 2.246 . 0 0 "[ . 1 . 2]" 1
768 1 66 PRO HB2 1 67 GLU H . . 4.240 3.685 3.246 4.033 . 0 0 "[ . 1 . 2]" 1
769 1 66 PRO HB2 1 69 LYS H . . 3.950 2.772 2.300 3.078 . 0 0 "[ . 1 . 2]" 1
770 1 66 PRO HB2 1 69 LYS QG . . 3.680 2.890 2.462 3.158 . 0 0 "[ . 1 . 2]" 1
771 1 66 PRO HB3 1 67 GLU H . . 4.270 4.001 3.698 4.263 . 0 0 "[ . 1 . 2]" 1
772 1 66 PRO HB3 1 69 LYS H . . 4.730 4.467 4.024 4.735 0.005 9 0 "[ . 1 . 2]" 1
773 1 66 PRO HB3 1 69 LYS QG . . 4.120 4.009 3.562 4.124 0.004 11 0 "[ . 1 . 2]" 1
774 1 66 PRO HD2 1 69 LYS HB2 . . 3.970 3.880 3.618 3.984 0.014 1 0 "[ . 1 . 2]" 1
775 1 66 PRO HD2 1 74 ILE MD . . 3.530 3.090 2.823 3.221 . 0 0 "[ . 1 . 2]" 1
776 1 66 PRO HD2 1 74 ILE MG . . 3.540 1.966 1.936 1.989 . 0 0 "[ . 1 . 2]" 1
777 1 66 PRO HD3 1 74 ILE MD . . 3.710 3.725 3.657 3.754 0.044 19 0 "[ . 1 . 2]" 1
778 1 66 PRO QG 1 69 LYS HB2 . . 3.290 2.133 1.980 2.266 . 0 0 "[ . 1 . 2]" 1
779 1 66 PRO QG 1 74 ILE MG . . 3.360 2.359 1.945 2.567 . 0 0 "[ . 1 . 2]" 1
780 1 67 GLU H 1 67 GLU HB2 . . 3.390 2.455 2.284 2.633 . 0 0 "[ . 1 . 2]" 1
781 1 67 GLU H 1 67 GLU HB3 . . 3.920 3.562 3.518 3.614 . 0 0 "[ . 1 . 2]" 1
782 1 67 GLU H 1 67 GLU HG2 . . 3.700 3.251 2.729 3.706 0.006 5 0 "[ . 1 . 2]" 1
783 1 67 GLU H 1 67 GLU HG3 . . 3.610 2.348 2.021 2.935 . 0 0 "[ . 1 . 2]" 1
784 1 67 GLU H 1 69 LYS H . . 5.110 4.010 3.730 4.212 . 0 0 "[ . 1 . 2]" 1
785 1 67 GLU HA 1 67 GLU HG2 . . 3.560 2.415 2.211 2.777 . 0 0 "[ . 1 . 2]" 1
786 1 67 GLU HA 1 67 GLU HG3 . . 3.660 3.185 2.878 3.453 . 0 0 "[ . 1 . 2]" 1
787 1 67 GLU HA 1 69 LYS H . . 4.540 3.501 3.295 3.957 . 0 0 "[ . 1 . 2]" 1
788 1 67 GLU HB2 1 67 GLU HG2 . . 3.010 3.038 3.016 3.056 0.046 12 0 "[ . 1 . 2]" 1
789 1 67 GLU HB2 1 68 ASP H . . 3.930 3.269 2.929 3.550 . 0 0 "[ . 1 . 2]" 1
790 1 68 ASP H 1 68 ASP HB3 . . 3.720 3.257 2.994 3.519 . 0 0 "[ . 1 . 2]" 1
791 1 68 ASP H 1 69 LYS H . . 3.470 2.453 2.253 2.572 . 0 0 "[ . 1 . 2]" 1
792 1 68 ASP HB3 1 69 LYS H . . 4.900 3.671 3.137 4.090 . 0 0 "[ . 1 . 2]" 1
793 1 69 LYS H 1 69 LYS HB2 . . 3.680 2.660 2.422 2.748 . 0 0 "[ . 1 . 2]" 1
794 1 69 LYS H 1 69 LYS HB3 . . 4.040 3.766 3.624 3.820 . 0 0 "[ . 1 . 2]" 1
795 1 69 LYS H 1 69 LYS QG . . 3.980 2.944 2.647 3.173 . 0 0 "[ . 1 . 2]" 1
796 1 69 LYS H 1 70 THR H . . 4.880 4.446 4.367 4.560 . 0 0 "[ . 1 . 2]" 1
797 1 69 LYS HA 1 70 THR H . . 3.180 2.300 2.235 2.411 . 0 0 "[ . 1 . 2]" 1
798 1 69 LYS HB2 1 70 THR H . . 4.120 4.005 3.741 4.127 0.007 18 0 "[ . 1 . 2]" 1
799 1 69 LYS HB2 1 73 GLU HB2 . . 4.100 3.794 3.384 4.271 0.171 17 0 "[ . 1 . 2]" 1
800 1 69 LYS HB2 1 73 GLU HB3 . . 4.420 3.680 3.549 3.918 . 0 0 "[ . 1 . 2]" 1
801 1 69 LYS HB2 1 74 ILE MG . . 4.480 2.318 1.869 2.741 . 0 0 "[ . 1 . 2]" 1
802 1 69 LYS HB3 1 70 THR H . . 3.660 2.942 2.639 3.156 . 0 0 "[ . 1 . 2]" 1
803 1 69 LYS HB3 1 73 GLU HB2 . . 3.990 2.375 1.996 2.892 . 0 0 "[ . 1 . 2]" 1
804 1 69 LYS HB3 1 73 GLU HB3 . . 3.650 2.046 1.991 2.262 . 0 0 "[ . 1 . 2]" 1
805 1 69 LYS HB3 1 74 ILE MG . . 3.780 2.672 2.318 2.922 . 0 0 "[ . 1 . 2]" 1
806 1 69 LYS QD 1 70 THR H . . 4.060 3.848 3.286 4.065 0.005 1 0 "[ . 1 . 2]" 1
807 1 69 LYS QD 1 73 GLU HB2 . . 4.310 3.461 3.069 3.836 . 0 0 "[ . 1 . 2]" 1
808 1 70 THR H 1 70 THR MG . . 3.060 2.153 1.933 2.444 . 0 0 "[ . 1 . 2]" 1
809 1 70 THR H 1 73 GLU HB2 . . 3.780 2.077 1.938 2.259 . 0 0 "[ . 1 . 2]" 1
810 1 70 THR H 1 73 GLU HB3 . . 4.090 3.329 3.006 3.592 . 0 0 "[ . 1 . 2]" 1
811 1 70 THR HA 1 70 THR MG . . 3.030 2.475 2.326 2.588 . 0 0 "[ . 1 . 2]" 1
812 1 70 THR HA 1 71 LEU H . . 3.390 2.462 2.390 2.510 . 0 0 "[ . 1 . 2]" 1
813 1 70 THR HA 1 71 LEU HG . . 4.540 3.844 3.726 4.095 . 0 0 "[ . 1 . 2]" 1
814 1 70 THR HB 1 71 LEU H . . 3.430 2.575 2.517 2.695 . 0 0 "[ . 1 . 2]" 1
815 1 70 THR HB 1 72 ARG H . . 3.810 3.483 3.078 3.808 . 0 0 "[ . 1 . 2]" 1
816 1 70 THR HB 1 73 GLU H . . 5.060 3.963 3.596 4.269 . 0 0 "[ . 1 . 2]" 1
817 1 70 THR MG 1 71 LEU H . . 3.940 3.949 3.839 4.043 0.103 18 0 "[ . 1 . 2]" 1
818 1 71 LEU H 1 71 LEU HB2 . . 4.010 2.574 2.367 2.705 . 0 0 "[ . 1 . 2]" 1
819 1 71 LEU H 1 71 LEU HB3 . . 3.770 3.531 3.524 3.537 . 0 0 "[ . 1 . 2]" 1
820 1 71 LEU H 1 71 LEU MD1 . . 3.350 2.851 2.464 3.327 . 0 0 "[ . 1 . 2]" 1
821 1 71 LEU H 1 71 LEU MD2 . . 3.580 3.592 3.581 3.610 0.030 19 0 "[ . 1 . 2]" 1
822 1 71 LEU H 1 71 LEU HG . . 3.330 2.035 1.945 2.317 . 0 0 "[ . 1 . 2]" 1
823 1 71 LEU H 1 72 ARG H . . 3.800 2.972 2.809 3.106 . 0 0 "[ . 1 . 2]" 1
824 1 71 LEU HA 1 71 LEU MD2 . . 2.980 2.667 2.296 2.943 . 0 0 "[ . 1 . 2]" 1
825 1 71 LEU HA 1 71 LEU HG . . 3.880 2.753 2.692 2.793 . 0 0 "[ . 1 . 2]" 1
826 1 71 LEU HA 1 74 ILE H . . 4.100 2.997 2.871 3.262 . 0 0 "[ . 1 . 2]" 1
827 1 71 LEU HA 1 74 ILE MD . . 3.520 3.505 3.312 3.603 0.083 14 0 "[ . 1 . 2]" 1
828 1 71 LEU HA 1 74 ILE HG12 . . 3.600 1.992 1.972 2.054 . 0 0 "[ . 1 . 2]" 1
829 1 71 LEU HA 1 74 ILE HG13 . . 3.130 2.384 2.191 2.757 . 0 0 "[ . 1 . 2]" 1
830 1 71 LEU HA 1 74 ILE MG . . 4.530 2.511 2.084 3.232 . 0 0 "[ . 1 . 2]" 1
831 1 71 LEU HA 1 76 VAL MG2 . . 3.580 2.220 1.977 2.760 . 0 0 "[ . 1 . 2]" 1
832 1 71 LEU HB2 1 71 LEU MD1 . . 3.320 2.104 1.964 2.269 . 0 0 "[ . 1 . 2]" 1
833 1 71 LEU HB2 1 71 LEU MD2 . . 3.520 3.098 2.997 3.194 . 0 0 "[ . 1 . 2]" 1
834 1 71 LEU HB2 1 72 ARG H . . 4.310 2.387 2.259 2.681 . 0 0 "[ . 1 . 2]" 1
835 1 71 LEU HB2 1 76 VAL HB . . 3.460 3.208 2.827 3.535 0.075 14 0 "[ . 1 . 2]" 1
836 1 71 LEU HB2 1 76 VAL MG2 . . 3.520 3.513 3.348 3.669 0.149 17 0 "[ . 1 . 2]" 1
837 1 71 LEU HB3 1 71 LEU MD1 . . 3.230 2.762 2.513 2.904 . 0 0 "[ . 1 . 2]" 1
838 1 71 LEU HB3 1 71 LEU MD2 . . 3.630 2.088 2.033 2.191 . 0 0 "[ . 1 . 2]" 1
839 1 71 LEU HB3 1 72 ARG H . . 3.930 3.521 3.334 3.757 . 0 0 "[ . 1 . 2]" 1
840 1 71 LEU HB3 1 76 VAL MG1 . . 3.890 2.333 1.996 2.787 . 0 0 "[ . 1 . 2]" 1
841 1 71 LEU HB3 1 76 VAL MG2 . . 3.650 2.053 1.937 2.324 . 0 0 "[ . 1 . 2]" 1
842 1 71 LEU HG 1 76 VAL MG2 . . 4.110 3.824 3.609 3.994 . 0 0 "[ . 1 . 2]" 1
843 1 72 ARG H 1 72 ARG HB2 . . 3.410 2.374 2.287 2.497 . 0 0 "[ . 1 . 2]" 1
844 1 72 ARG H 1 72 ARG HB3 . . 3.360 2.593 2.465 2.698 . 0 0 "[ . 1 . 2]" 1
845 1 72 ARG H 1 72 ARG HD2 . . 5.130 5.077 4.491 5.875 0.745 8 6 "[ **. +*1- * 2]" 1
846 1 72 ARG H 1 72 ARG HG2 . . 4.550 4.359 4.350 4.380 . 0 0 "[ . 1 . 2]" 1
847 1 72 ARG HA 1 72 ARG HG2 . . 3.530 2.519 2.487 2.567 . 0 0 "[ . 1 . 2]" 1
848 1 72 ARG HA 1 72 ARG HG3 . . 3.220 3.076 2.885 3.217 . 0 0 "[ . 1 . 2]" 1
849 1 72 ARG HB2 1 72 ARG HD2 . . 4.160 3.433 2.899 3.890 . 0 0 "[ . 1 . 2]" 1
850 1 72 ARG HB3 1 72 ARG HE . . 4.380 3.440 2.748 4.255 . 0 0 "[ . 1 . 2]" 1
851 1 72 ARG HB3 1 73 GLU H . . 4.360 3.121 2.894 3.273 . 0 0 "[ . 1 . 2]" 1
852 1 72 ARG HG2 1 73 GLU H . . 4.820 4.439 4.303 4.503 . 0 0 "[ . 1 . 2]" 1
853 1 72 ARG HG2 1 73 GLU HA . . 4.260 4.254 4.115 4.307 0.047 9 0 "[ . 1 . 2]" 1
854 1 73 GLU H 1 73 GLU HB2 . . 3.500 2.299 2.175 2.456 . 0 0 "[ . 1 . 2]" 1
855 1 73 GLU H 1 73 GLU HB3 . . 3.940 3.532 3.413 3.621 . 0 0 "[ . 1 . 2]" 1
856 1 73 GLU H 1 73 GLU QG . . 3.710 2.843 2.445 3.286 . 0 0 "[ . 1 . 2]" 1
857 1 73 GLU H 1 74 ILE H . . 3.580 2.237 2.150 2.400 . 0 0 "[ . 1 . 2]" 1
858 1 73 GLU HA 1 73 GLU QG . . 3.230 2.316 2.030 2.702 . 0 0 "[ . 1 . 2]" 1
859 1 73 GLU HB2 1 74 ILE H . . 4.320 2.876 2.708 2.992 . 0 0 "[ . 1 . 2]" 1
860 1 73 GLU HB3 1 74 ILE H . . 4.540 3.625 3.311 3.885 . 0 0 "[ . 1 . 2]" 1
861 1 73 GLU HB3 1 74 ILE MG . . 4.420 3.525 3.175 3.828 . 0 0 "[ . 1 . 2]" 1
862 1 74 ILE H 1 74 ILE HB . . 3.730 3.546 3.504 3.590 . 0 0 "[ . 1 . 2]" 1
863 1 74 ILE H 1 74 ILE MD . . 4.160 4.039 3.959 4.118 . 0 0 "[ . 1 . 2]" 1
864 1 74 ILE H 1 74 ILE HG12 . . 3.520 3.261 2.907 3.416 . 0 0 "[ . 1 . 2]" 1
865 1 74 ILE H 1 74 ILE HG13 . . 3.410 2.661 2.469 2.822 . 0 0 "[ . 1 . 2]" 1
866 1 74 ILE H 1 74 ILE MG . . 3.330 1.998 1.905 2.141 . 0 0 "[ . 1 . 2]" 1
867 1 74 ILE HA 1 74 ILE HG12 . . 4.040 4.206 4.142 4.226 0.186 12 0 "[ . 1 . 2]" 1
868 1 74 ILE HA 1 74 ILE HG13 . . 4.220 3.561 3.526 3.585 . 0 0 "[ . 1 . 2]" 1
869 1 74 ILE HA 1 74 ILE MG . . 2.990 2.530 2.495 2.559 . 0 0 "[ . 1 . 2]" 1
870 1 74 ILE HB 1 74 ILE MD . . 3.170 1.964 1.953 1.982 . 0 0 "[ . 1 . 2]" 1
871 1 74 ILE MD 1 75 LYS HB2 . . 4.250 3.699 3.390 4.083 . 0 0 "[ . 1 . 2]" 1
872 1 74 ILE MD 1 76 VAL H . . 4.780 4.628 4.402 4.793 0.013 17 0 "[ . 1 . 2]" 1
873 1 74 ILE MD 1 76 VAL MG2 . . 3.370 2.126 2.025 2.293 . 0 0 "[ . 1 . 2]" 1
874 1 74 ILE HG12 1 74 ILE MG . . 3.110 2.066 1.966 2.138 . 0 0 "[ . 1 . 2]" 1
875 1 74 ILE HG12 1 76 VAL MG2 . . 3.720 2.484 2.328 2.742 . 0 0 "[ . 1 . 2]" 1
876 1 75 LYS H 1 75 LYS HA . . 2.920 2.231 2.218 2.244 . 0 0 "[ . 1 . 2]" 1
877 1 75 LYS H 1 75 LYS HB3 . . 4.180 4.044 3.966 4.067 . 0 0 "[ . 1 . 2]" 1
878 1 75 LYS H 1 75 LYS HG3 . . 3.990 3.449 2.605 4.947 0.957 8 1 "[ . + 1 . 2]" 1
879 1 75 LYS H 1 76 VAL H . . 3.660 2.951 2.724 3.186 . 0 0 "[ . 1 . 2]" 1
880 1 75 LYS H 1 76 VAL HB . . 4.370 4.396 4.372 4.451 0.081 19 0 "[ . 1 . 2]" 1
881 1 75 LYS H 1 76 VAL MG2 . . 4.300 3.770 3.478 4.008 . 0 0 "[ . 1 . 2]" 1
882 1 75 LYS HA 1 75 LYS QD . . 4.310 3.684 2.246 4.193 . 0 0 "[ . 1 . 2]" 1
883 1 75 LYS HA 1 75 LYS HG2 . . 3.910 2.767 2.059 3.280 . 0 0 "[ . 1 . 2]" 1
884 1 75 LYS HA 1 75 LYS HG3 . . 3.440 3.172 2.019 3.840 0.400 6 0 "[ . 1 . 2]" 1
885 1 75 LYS HA 1 76 VAL H . . 3.500 2.354 2.260 2.458 . 0 0 "[ . 1 . 2]" 1
886 1 75 LYS HB3 1 76 VAL H . . 4.910 4.270 4.068 4.457 . 0 0 "[ . 1 . 2]" 1
887 1 75 LYS QE 1 75 LYS HG3 . . 3.750 2.740 1.969 3.379 . 0 0 "[ . 1 . 2]" 1
888 1 76 VAL H 1 76 VAL HB . . 3.230 2.555 2.398 2.772 . 0 0 "[ . 1 . 2]" 1
889 1 76 VAL H 1 76 VAL MG2 . . 3.110 3.120 3.009 3.207 0.097 14 0 "[ . 1 . 2]" 1
890 1 76 VAL HA 1 76 VAL MG2 . . 2.990 2.270 2.166 2.354 . 0 0 "[ . 1 . 2]" 1
891 1 76 VAL HA 1 77 THR H . . 2.850 2.338 2.276 2.463 . 0 0 "[ . 1 . 2]" 1
892 1 76 VAL HA 1 77 THR MG . . 4.100 3.434 3.038 3.744 . 0 0 "[ . 1 . 2]" 1
893 1 76 VAL HA 1 80 ALA MB . . 3.840 3.273 3.010 3.851 0.011 14 0 "[ . 1 . 2]" 1
894 1 76 VAL HB 1 77 THR H . . 4.070 4.051 3.893 4.124 0.054 12 0 "[ . 1 . 2]" 1
895 1 76 VAL MG1 1 77 THR H . . 3.420 2.061 1.871 2.244 . 0 0 "[ . 1 . 2]" 1
896 1 76 VAL MG1 1 77 THR HA . . 4.490 3.307 3.072 3.521 . 0 0 "[ . 1 . 2]" 1
897 1 76 VAL MG1 1 80 ALA MB . . 2.920 2.244 1.918 2.664 . 0 0 "[ . 1 . 2]" 1
898 1 77 THR H 1 77 THR MG . . 3.580 3.049 2.682 3.272 . 0 0 "[ . 1 . 2]" 1
899 1 77 THR H 1 79 GLY H . . 4.980 4.987 4.943 5.023 0.043 19 0 "[ . 1 . 2]" 1
900 1 77 THR H 1 80 ALA MB . . 3.200 2.349 2.083 2.562 . 0 0 "[ . 1 . 2]" 1
901 1 77 THR HA 1 77 THR MG . . 3.260 2.395 2.246 2.616 . 0 0 "[ . 1 . 2]" 1
902 1 77 THR HA 1 78 SER H . . 3.140 2.668 2.468 2.824 . 0 0 "[ . 1 . 2]" 1
903 1 77 THR HB 1 78 SER H . . 3.280 2.173 1.965 2.522 . 0 0 "[ . 1 . 2]" 1
904 1 77 THR MG 1 78 SER H . . 3.950 3.670 3.459 3.846 . 0 0 "[ . 1 . 2]" 1
905 1 78 SER H 1 78 SER QB . . 3.190 2.362 2.029 2.786 . 0 0 "[ . 1 . 2]" 1
906 1 78 SER H 1 79 GLY H . . 4.700 4.362 4.269 4.432 . 0 0 "[ . 1 . 2]" 1
907 1 78 SER HA 1 79 GLY H . . 2.910 2.231 2.220 2.250 . 0 0 "[ . 1 . 2]" 1
908 1 78 SER HA 1 80 ALA H . . 3.940 3.611 3.494 3.693 . 0 0 "[ . 1 . 2]" 1
909 1 78 SER QB 1 79 GLY H . . 4.170 3.759 3.547 4.016 . 0 0 "[ . 1 . 2]" 1
910 1 79 GLY H 1 80 ALA H . . 3.380 1.889 1.872 1.904 . 0 0 "[ . 1 . 2]" 1
911 1 80 ALA H 1 80 ALA MB . . 2.860 2.072 1.972 2.199 . 0 0 "[ . 1 . 2]" 1
912 1 80 ALA H 1 81 LYS H . . 4.550 4.525 4.444 4.604 0.054 4 0 "[ . 1 . 2]" 1
913 1 80 ALA HA 1 81 LYS H . . 2.650 2.383 2.187 2.664 0.014 20 0 "[ . 1 . 2]" 1
914 1 80 ALA HA 1 81 LYS HB2 . . 4.380 4.186 3.953 4.382 0.002 12 0 "[ . 1 . 2]" 1
915 1 80 ALA MB 1 81 LYS H . . 3.320 2.893 2.220 3.335 0.015 11 0 "[ . 1 . 2]" 1
916 1 81 LYS H 1 81 LYS HB2 . . 3.620 2.426 2.033 3.108 . 0 0 "[ . 1 . 2]" 1
917 1 81 LYS H 1 81 LYS HB3 . . 3.360 2.982 2.599 3.375 0.015 13 0 "[ . 1 . 2]" 1
918 1 81 LYS H 1 82 ILE H . . 5.140 4.560 4.373 4.651 . 0 0 "[ . 1 . 2]" 1
919 1 81 LYS HA 1 81 LYS QD . . 3.620 2.995 2.393 3.625 0.005 6 0 "[ . 1 . 2]" 1
920 1 81 LYS HA 1 81 LYS HG2 . . 3.790 3.258 2.005 3.642 . 0 0 "[ . 1 . 2]" 1
921 1 81 LYS HA 1 82 ILE H . . 3.050 2.310 2.231 2.374 . 0 0 "[ . 1 . 2]" 1
922 1 81 LYS HB2 1 82 ILE H . . 4.250 4.258 4.227 4.290 0.040 6 0 "[ . 1 . 2]" 1
923 1 81 LYS HB3 1 81 LYS QE . . 4.620 3.327 2.576 4.014 . 0 0 "[ . 1 . 2]" 1
924 1 82 ILE H 1 82 ILE HB . . 3.560 2.757 2.721 2.862 . 0 0 "[ . 1 . 2]" 1
925 1 82 ILE H 1 82 ILE MD . . 4.200 4.051 3.847 4.185 . 0 0 "[ . 1 . 2]" 1
926 1 82 ILE H 1 82 ILE HG12 . . 3.720 3.004 2.753 3.138 . 0 0 "[ . 1 . 2]" 1
927 1 82 ILE H 1 82 ILE HG13 . . 4.540 4.183 3.918 4.278 . 0 0 "[ . 1 . 2]" 1
928 1 82 ILE H 1 82 ILE MG . . 4.390 3.878 3.847 3.939 . 0 0 "[ . 1 . 2]" 1
929 1 82 ILE H 1 83 MET H . . 5.070 4.039 3.864 4.286 . 0 0 "[ . 1 . 2]" 1
930 1 82 ILE HA 1 82 ILE MD . . 3.180 2.147 1.978 2.368 . 0 0 "[ . 1 . 2]" 1
931 1 82 ILE HA 1 82 ILE HG12 . . 3.920 2.895 2.779 3.053 . 0 0 "[ . 1 . 2]" 1
932 1 82 ILE HA 1 82 ILE MG . . 3.270 2.328 2.252 2.379 . 0 0 "[ . 1 . 2]" 1
933 1 82 ILE HA 1 83 MET H . . 3.310 2.189 2.176 2.215 . 0 0 "[ . 1 . 2]" 1
934 1 82 ILE MD 1 82 ILE MG . . 2.750 1.961 1.852 2.030 . 0 0 "[ . 1 . 2]" 1
935 1 82 ILE MD 1 83 MET H . . 4.240 3.770 3.537 4.037 . 0 0 "[ . 1 . 2]" 1
936 1 82 ILE HG12 1 82 ILE MG . . 3.500 3.225 3.208 3.232 . 0 0 "[ . 1 . 2]" 1
937 1 82 ILE HG13 1 82 ILE MG . . 3.230 2.491 2.440 2.591 . 0 0 "[ . 1 . 2]" 1
938 1 82 ILE MG 1 83 MET H . . 3.510 3.006 2.666 3.317 . 0 0 "[ . 1 . 2]" 1
939 1 83 MET H 1 83 MET QB . . 3.300 2.168 2.013 2.411 . 0 0 "[ . 1 . 2]" 1
940 1 83 MET H 1 83 MET QG . . 4.040 3.553 2.610 4.055 0.015 20 0 "[ . 1 . 2]" 1
941 1 83 MET HA 1 83 MET ME . . 4.260 3.427 2.687 4.023 . 0 0 "[ . 1 . 2]" 1
942 1 83 MET HA 1 84 VAL H . . 3.090 2.252 2.203 2.309 . 0 0 "[ . 1 . 2]" 1
943 1 83 MET QB 1 84 VAL H . . 4.120 3.441 2.935 3.992 . 0 0 "[ . 1 . 2]" 1
944 1 83 MET QG 1 84 VAL H . . 5.090 3.328 2.358 4.146 . 0 0 "[ . 1 . 2]" 1
945 1 84 VAL H 1 84 VAL HB . . 3.560 2.634 2.460 2.748 . 0 0 "[ . 1 . 2]" 1
946 1 84 VAL H 1 84 VAL MG1 . . 3.920 3.842 3.768 3.895 . 0 0 "[ . 1 . 2]" 1
947 1 84 VAL H 1 84 VAL MG2 . . 3.510 2.675 2.255 3.013 . 0 0 "[ . 1 . 2]" 1
948 1 84 VAL HA 1 84 VAL MG1 . . 3.330 2.330 2.213 2.429 . 0 0 "[ . 1 . 2]" 1
949 1 84 VAL HA 1 84 VAL MG2 . . 3.290 2.459 2.328 2.544 . 0 0 "[ . 1 . 2]" 1
950 1 84 VAL HA 1 85 VAL H . . 3.050 2.350 2.221 2.449 . 0 0 "[ . 1 . 2]" 1
951 1 84 VAL HA 1 85 VAL HA . . 4.450 4.421 4.347 4.469 0.019 9 0 "[ . 1 . 2]" 1
952 1 84 VAL HA 1 85 VAL QG . . 4.090 3.643 3.104 3.965 . 0 0 "[ . 1 . 2]" 1
953 1 84 VAL MG1 1 85 VAL H . . 3.490 2.120 1.905 2.485 . 0 0 "[ . 1 . 2]" 1
954 1 84 VAL MG1 1 85 VAL HA . . 4.020 3.705 3.402 4.025 0.005 17 0 "[ . 1 . 2]" 1
955 1 84 VAL MG2 1 85 VAL H . . 4.140 4.003 3.875 4.143 0.003 6 0 "[ . 1 . 2]" 1
956 1 85 VAL H 1 85 VAL HB . . 3.460 2.945 2.583 3.652 0.192 17 0 "[ . 1 . 2]" 1
957 1 85 VAL H 1 85 VAL QG . . 3.450 2.452 1.946 3.088 . 0 0 "[ . 1 . 2]" 1
958 1 85 VAL H 1 86 GLY HA3 . . 4.990 4.884 4.628 5.879 0.889 10 2 "[ . + - . 2]" 1
959 1 85 VAL HA 1 85 VAL QG . . 3.340 2.134 2.017 2.435 . 0 0 "[ . 1 . 2]" 1
960 1 85 VAL HA 1 86 GLY H . . 3.180 2.474 2.266 2.739 . 0 0 "[ . 1 . 2]" 1
961 1 85 VAL HB 1 86 GLY H . . 4.030 3.780 2.398 4.083 0.053 11 0 "[ . 1 . 2]" 1
962 1 85 VAL QG 1 86 GLY H . . 3.570 2.043 1.801 2.797 . 0 0 "[ . 1 . 2]" 1
963 1 85 VAL QG 1 86 GLY HA3 . . 4.430 3.630 3.168 4.164 . 0 0 "[ . 1 . 2]" 1
964 1 87 SER H 1 87 SER HB2 . . 4.160 3.201 2.414 3.806 . 0 0 "[ . 1 . 2]" 1
965 1 87 SER H 1 87 SER HB3 . . 3.800 3.538 2.543 4.098 0.298 16 0 "[ . 1 . 2]" 1
966 1 87 SER HB3 1 88 THR H . . 4.770 3.728 2.259 4.619 . 0 0 "[ . 1 . 2]" 1
967 1 88 THR H 1 88 THR MG . . 4.440 3.223 2.024 4.012 . 0 0 "[ . 1 . 2]" 1
968 1 88 THR HA 1 88 THR MG . . 3.370 2.729 2.254 3.232 . 0 0 "[ . 1 . 2]" 1
969 1 88 THR HA 1 89 ILE H . . 3.440 2.296 2.150 2.742 . 0 0 "[ . 1 . 2]" 1
970 1 89 ILE H 1 89 ILE HB . . 3.700 2.920 2.194 3.700 . 0 0 "[ . 1 . 2]" 1
971 1 89 ILE H 1 89 ILE HG12 . . 4.280 3.804 2.474 4.599 0.319 3 0 "[ . 1 . 2]" 1
972 1 89 ILE H 1 89 ILE HG13 . . 4.600 3.161 1.973 4.341 . 0 0 "[ . 1 . 2]" 1
973 1 89 ILE H 1 89 ILE MG . . 4.530 3.245 2.017 4.006 . 0 0 "[ . 1 . 2]" 1
974 1 89 ILE HA 1 89 ILE MD . . 4.370 3.414 2.032 3.836 . 0 0 "[ . 1 . 2]" 1
975 1 89 ILE HA 1 89 ILE MG . . 3.570 2.576 2.242 3.211 . 0 0 "[ . 1 . 2]" 1
976 1 89 ILE HA 1 90 SER H . . 3.500 2.699 2.179 3.600 0.100 14 0 "[ . 1 . 2]" 1
977 1 91 GLY HA2 1 92 PRO QD . . 3.430 2.079 1.854 3.431 0.001 13 0 "[ . 1 . 2]" 1
978 1 91 GLY HA3 1 92 PRO QD . . 3.480 2.969 2.041 3.467 . 0 0 "[ . 1 . 2]" 1
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