NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
402340 |
1wex   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wex
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 1479
_Distance_constraint_stats_list.Viol_count 1964
_Distance_constraint_stats_list.Viol_total 3047.526
_Distance_constraint_stats_list.Viol_max 0.975
_Distance_constraint_stats_list.Viol_rms 0.0392
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0052
_Distance_constraint_stats_list.Viol_average_violations_only 0.0776
_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 11 LYS 0.961 0.414 15 0 "[ . 1 . 2]"
1 12 VAL 1.128 0.414 15 0 "[ . 1 . 2]"
1 13 SER 0.216 0.133 12 0 "[ . 1 . 2]"
1 14 VAL 4.183 0.552 14 1 "[ . 1 +. 2]"
1 15 SER 1.445 0.224 20 0 "[ . 1 . 2]"
1 16 PRO 4.961 0.741 14 3 "[ . 1 *-+. 2]"
1 17 VAL 6.301 0.924 4 3 "[- +. 1 . * 2]"
1 18 VAL 1.755 0.125 18 0 "[ . 1 . 2]"
1 19 HIS 5.259 0.666 9 5 "[* *. +1 . -*2]"
1 20 VAL 2.254 0.077 15 0 "[ . 1 . 2]"
1 21 ARG 4.049 0.687 9 3 "[ * . +1 . -2]"
1 22 GLY 0.762 0.348 3 0 "[ . 1 . 2]"
1 23 LEU 10.603 0.948 3 2 "[ + . *1 . 2]"
1 24 CYS 3.207 0.803 19 3 "[ . 1 . * +-]"
1 25 GLU 0.306 0.077 16 0 "[ . 1 . 2]"
1 27 VAL 3.133 0.948 3 2 "[ + . *1 . 2]"
1 28 VAL 0.167 0.035 8 0 "[ . 1 . 2]"
1 29 GLU 3.048 0.134 11 0 "[ . 1 . 2]"
1 30 ALA 0.347 0.114 16 0 "[ . 1 . 2]"
1 31 ASP 0.979 0.975 16 1 "[ . 1 .+ 2]"
1 32 LEU 2.937 0.717 3 2 "[ + . -1 . 2]"
1 33 VAL 3.593 0.164 9 0 "[ . 1 . 2]"
1 34 GLU 7.436 0.975 16 1 "[ . 1 .+ 2]"
1 35 ALA 8.316 0.807 16 1 "[ . 1 .+ 2]"
1 36 LEU 3.363 0.105 16 0 "[ . 1 . 2]"
1 37 GLU 5.762 0.280 11 0 "[ . 1 . 2]"
1 38 LYS 2.731 0.446 5 0 "[ . 1 . 2]"
1 39 PHE 2.822 0.401 7 0 "[ . 1 . 2]"
1 40 GLY 0.047 0.029 17 0 "[ . 1 . 2]"
1 41 THR 3.083 0.221 16 0 "[ . 1 . 2]"
1 42 ILE 1.913 0.076 16 0 "[ . 1 . 2]"
1 43 CYS 0.278 0.058 13 0 "[ . 1 . 2]"
1 44 TYR 0.978 0.112 11 0 "[ . 1 . 2]"
1 45 VAL 1.160 0.296 11 0 "[ . 1 . 2]"
1 46 MET 4.582 0.493 11 0 "[ . 1 . 2]"
1 47 MET 0.050 0.015 11 0 "[ . 1 . 2]"
1 48 MET 0.674 0.190 15 0 "[ . 1 . 2]"
1 49 PRO 0.111 0.043 20 0 "[ . 1 . 2]"
1 50 PHE 0.007 0.007 20 0 "[ . 1 . 2]"
1 51 LYS 0.007 0.007 20 0 "[ . 1 . 2]"
1 52 ARG 7.315 0.652 9 7 "[ *-. **+* . * 2]"
1 53 GLN 1.251 0.425 15 0 "[ . 1 . 2]"
1 54 ALA 1.591 0.425 15 0 "[ . 1 . 2]"
1 55 LEU 2.306 0.118 15 0 "[ . 1 . 2]"
1 56 VAL 1.273 0.139 15 0 "[ . 1 . 2]"
1 57 GLU 1.227 0.139 15 0 "[ . 1 . 2]"
1 58 PHE 3.591 0.078 20 0 "[ . 1 . 2]"
1 59 GLU 5.904 0.221 16 0 "[ . 1 . 2]"
1 60 ASN 0.287 0.194 13 0 "[ . 1 . 2]"
1 61 ILE 7.925 0.956 14 3 "[ . 1 *-+. 2]"
1 62 ASP 0.035 0.017 5 0 "[ . 1 . 2]"
1 63 SER 0.084 0.026 19 0 "[ . 1 . 2]"
1 64 ALA 3.392 0.956 14 2 "[ . 1 - +. 2]"
1 65 LYS 1.929 0.526 17 2 "[ . 1 . +- 2]"
1 66 GLU 2.849 0.192 17 0 "[ . 1 . 2]"
1 67 CYS 2.325 0.192 17 0 "[ . 1 . 2]"
1 68 VAL 5.049 0.526 17 2 "[ . 1 . +- 2]"
1 69 THR 4.117 0.414 19 0 "[ . 1 . 2]"
1 70 PHE 2.071 0.297 19 0 "[ . 1 . 2]"
1 71 ALA 1.043 0.171 7 0 "[ . 1 . 2]"
1 72 ALA 1.509 0.097 5 0 "[ . 1 . 2]"
1 73 ASP 0.531 0.057 4 0 "[ . 1 . 2]"
1 74 VAL 4.694 0.264 2 0 "[ . 1 . 2]"
1 75 PRO 4.805 0.264 2 0 "[ . 1 . 2]"
1 76 VAL 2.739 0.225 5 0 "[ . 1 . 2]"
1 77 TYR 7.115 0.710 18 6 "[ * . 1 * *+-*]"
1 78 ILE 1.447 0.111 5 0 "[ . 1 . 2]"
1 79 ALA 0.156 0.052 7 0 "[ . 1 . 2]"
1 80 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 GLN 9.600 0.803 19 3 "[ . 1 . * +-]"
1 82 GLN 19.777 0.710 18 11 "[ * * 1 *-****+**]"
1 83 ALA 0.650 0.122 20 0 "[ . 1 . 2]"
1 84 PHE 0.321 0.051 8 0 "[ . 1 . 2]"
1 85 PHE 1.558 0.113 7 0 "[ . 1 . 2]"
1 86 ASN 2.630 0.297 6 0 "[ . 1 . 2]"
1 87 TYR 5.084 0.232 20 0 "[ . 1 . 2]"
1 88 SER 5.428 0.924 4 3 "[* +. 1 . - 2]"
1 89 THR 0.264 0.112 15 0 "[ . 1 . 2]"
1 90 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 LYS 0.822 0.189 13 0 "[ . 1 . 2]"
1 92 ARG 13.185 0.640 5 5 "[- **+ 1 . * 2]"
1 93 ILE 3.281 0.330 18 0 "[ . 1 . 2]"
1 94 THR 0.102 0.029 8 0 "[ . 1 . 2]"
1 95 ARG 3.355 0.499 11 0 "[ . 1 . 2]"
1 96 PRO 2.936 0.499 11 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 11 LYS HA 1 11 LYS HG3 . . 3.980 2.723 1.972 3.735 . 0 0 "[ . 1 . 2]" 1
2 1 11 LYS HA 1 12 VAL H . . 3.280 2.369 2.178 2.557 . 0 0 "[ . 1 . 2]" 1
3 1 11 LYS HA 1 12 VAL QG . . 4.610 3.624 3.067 4.132 . 0 0 "[ . 1 . 2]" 1
4 1 11 LYS HB2 1 12 VAL H . . 4.570 4.333 3.755 4.676 0.106 9 0 "[ . 1 . 2]" 1
5 1 11 LYS HB3 1 12 VAL H . . 4.410 3.689 2.375 4.527 0.117 3 0 "[ . 1 . 2]" 1
6 1 11 LYS HG3 1 12 VAL H . . 5.500 4.349 2.296 5.914 0.414 15 0 "[ . 1 . 2]" 1
7 1 12 VAL H 1 12 VAL HB . . 3.840 3.178 2.378 3.844 0.004 16 0 "[ . 1 . 2]" 1
8 1 12 VAL H 1 12 VAL QG . . 3.980 2.491 2.044 2.983 . 0 0 "[ . 1 . 2]" 1
9 1 12 VAL HA 1 12 VAL QG . . 2.960 2.163 2.051 2.313 . 0 0 "[ . 1 . 2]" 1
10 1 12 VAL HB 1 13 SER HA . . 4.860 4.766 4.389 4.870 0.010 9 0 "[ . 1 . 2]" 1
11 1 12 VAL HB 1 87 TYR HB2 . . 4.550 4.405 3.613 4.579 0.029 18 0 "[ . 1 . 2]" 1
12 1 12 VAL HB 1 87 TYR QD . . 5.050 4.720 4.071 5.076 0.026 12 0 "[ . 1 . 2]" 1
13 1 12 VAL QG 1 13 SER HA . . 4.840 3.991 3.492 4.399 . 0 0 "[ . 1 . 2]" 1
14 1 12 VAL QG 1 14 VAL H . . 5.500 5.000 3.804 5.347 . 0 0 "[ . 1 . 2]" 1
15 1 12 VAL QG 1 87 TYR H . . 5.080 4.326 3.634 4.972 . 0 0 "[ . 1 . 2]" 1
16 1 12 VAL QG 1 87 TYR HB2 . . 4.050 2.514 2.053 3.002 . 0 0 "[ . 1 . 2]" 1
17 1 12 VAL QG 1 87 TYR HB3 . . 4.920 3.029 2.682 3.505 . 0 0 "[ . 1 . 2]" 1
18 1 12 VAL QG 1 87 TYR QD . . 4.500 3.270 2.581 3.680 . 0 0 "[ . 1 . 2]" 1
19 1 12 VAL QG 1 87 TYR QE . . 5.500 5.134 4.579 5.368 . 0 0 "[ . 1 . 2]" 1
20 1 12 VAL QG 1 89 THR HA . . 4.050 3.111 2.370 3.862 . 0 0 "[ . 1 . 2]" 1
21 1 12 VAL QG 1 89 THR MG . . 3.460 2.644 1.738 3.209 . 0 0 "[ . 1 . 2]" 1
22 1 13 SER H 1 14 VAL H . . 5.500 4.499 4.158 4.656 . 0 0 "[ . 1 . 2]" 1
23 1 13 SER HA 1 14 VAL H . . 2.990 2.588 2.217 2.763 . 0 0 "[ . 1 . 2]" 1
24 1 13 SER HA 1 14 VAL HB . . 4.960 4.837 4.558 4.952 . 0 0 "[ . 1 . 2]" 1
25 1 13 SER HA 1 14 VAL QG . . 4.250 3.908 3.548 4.113 . 0 0 "[ . 1 . 2]" 1
26 1 13 SER HB2 1 14 VAL H . . 3.840 3.077 2.117 3.973 0.133 12 0 "[ . 1 . 2]" 1
27 1 13 SER HB3 1 14 VAL H . . 3.940 3.006 2.018 3.877 . 0 0 "[ . 1 . 2]" 1
28 1 14 VAL H 1 14 VAL HB . . 3.390 2.322 2.138 3.522 0.132 12 0 "[ . 1 . 2]" 1
29 1 14 VAL H 1 14 VAL QG . . 3.260 2.381 2.199 2.620 . 0 0 "[ . 1 . 2]" 1
30 1 14 VAL H 1 15 SER H . . 4.710 4.647 4.325 4.674 . 0 0 "[ . 1 . 2]" 1
31 1 14 VAL H 1 87 TYR QE . . 5.500 4.148 2.673 4.585 . 0 0 "[ . 1 . 2]" 1
32 1 14 VAL HA 1 14 VAL QG . . 3.150 2.097 2.038 2.153 . 0 0 "[ . 1 . 2]" 1
33 1 14 VAL HA 1 15 SER H . . 2.990 2.421 2.345 2.474 . 0 0 "[ . 1 . 2]" 1
34 1 14 VAL HA 1 15 SER HA . . 5.050 4.471 4.447 4.499 . 0 0 "[ . 1 . 2]" 1
35 1 14 VAL HA 1 15 SER HB3 . . 4.670 4.386 4.222 4.754 0.084 13 0 "[ . 1 . 2]" 1
36 1 14 VAL HA 1 87 TYR HB3 . . 5.340 3.458 3.157 3.630 . 0 0 "[ . 1 . 2]" 1
37 1 14 VAL HA 1 87 TYR QD . . 3.860 2.763 2.662 2.860 . 0 0 "[ . 1 . 2]" 1
38 1 14 VAL HA 1 87 TYR QE . . 4.140 2.878 2.723 3.080 . 0 0 "[ . 1 . 2]" 1
39 1 14 VAL HB 1 15 SER H . . 3.890 3.925 3.898 3.949 0.059 2 0 "[ . 1 . 2]" 1
40 1 14 VAL HB 1 61 ILE MD . . 3.190 3.211 2.799 3.742 0.552 14 1 "[ . 1 +. 2]" 1
41 1 14 VAL HB 1 61 ILE MG . . 5.070 4.899 4.512 5.048 . 0 0 "[ . 1 . 2]" 1
42 1 14 VAL HB 1 87 TYR QE . . 4.590 4.660 4.624 4.784 0.194 12 0 "[ . 1 . 2]" 1
43 1 14 VAL QG 1 15 SER H . . 3.700 1.967 1.851 2.066 . 0 0 "[ . 1 . 2]" 1
44 1 14 VAL QG 1 15 SER HB2 . . 5.110 4.304 4.163 4.537 . 0 0 "[ . 1 . 2]" 1
45 1 14 VAL QG 1 15 SER HB3 . . 5.010 4.268 4.166 4.414 . 0 0 "[ . 1 . 2]" 1
46 1 14 VAL QG 1 61 ILE HB . . 4.030 4.058 4.026 4.183 0.153 12 0 "[ . 1 . 2]" 1
47 1 14 VAL QG 1 61 ILE HG12 . . 3.780 1.989 1.813 3.232 . 0 0 "[ . 1 . 2]" 1
48 1 14 VAL QG 1 61 ILE HG13 . . 4.060 2.347 2.135 2.529 . 0 0 "[ . 1 . 2]" 1
49 1 14 VAL QG 1 61 ILE MG . . 4.070 3.141 2.724 3.427 . 0 0 "[ . 1 . 2]" 1
50 1 14 VAL QG 1 64 ALA MB . . 4.880 3.364 3.071 3.513 . 0 0 "[ . 1 . 2]" 1
51 1 14 VAL QG 1 65 LYS H . . 5.340 3.605 3.318 3.910 . 0 0 "[ . 1 . 2]" 1
52 1 14 VAL QG 1 65 LYS HA . . 4.250 3.387 2.945 3.761 . 0 0 "[ . 1 . 2]" 1
53 1 14 VAL QG 1 65 LYS QB . . 3.590 3.161 3.043 3.229 . 0 0 "[ . 1 . 2]" 1
54 1 14 VAL QG 1 65 LYS QD . . 3.400 1.944 1.703 2.142 . 0 0 "[ . 1 . 2]" 1
55 1 14 VAL QG 1 65 LYS QE . . 3.560 1.958 1.693 2.504 . 0 0 "[ . 1 . 2]" 1
56 1 14 VAL QG 1 65 LYS HG2 . . 2.970 1.756 1.680 1.828 . 0 0 "[ . 1 . 2]" 1
57 1 14 VAL QG 1 65 LYS HG3 . . 3.060 2.228 2.043 2.497 . 0 0 "[ . 1 . 2]" 1
58 1 14 VAL QG 1 87 TYR QD . . 4.280 3.217 3.021 3.385 . 0 0 "[ . 1 . 2]" 1
59 1 14 VAL QG 1 87 TYR QE . . 3.820 2.178 2.035 2.543 . 0 0 "[ . 1 . 2]" 1
60 1 15 SER H 1 15 SER HB2 . . 4.120 3.446 3.168 3.561 . 0 0 "[ . 1 . 2]" 1
61 1 15 SER H 1 15 SER HB3 . . 3.880 2.954 2.858 3.139 . 0 0 "[ . 1 . 2]" 1
62 1 15 SER H 1 15 SER HG . . 5.500 4.918 4.706 5.027 . 0 0 "[ . 1 . 2]" 1
63 1 15 SER H 1 16 PRO HA . . 5.500 4.608 4.539 4.670 . 0 0 "[ . 1 . 2]" 1
64 1 15 SER H 1 16 PRO HD2 . . 5.300 4.949 4.912 4.969 . 0 0 "[ . 1 . 2]" 1
65 1 15 SER H 1 17 VAL H . . 5.500 4.683 4.514 4.883 . 0 0 "[ . 1 . 2]" 1
66 1 15 SER H 1 61 ILE MD . . 4.500 3.197 1.938 3.655 . 0 0 "[ . 1 . 2]" 1
67 1 15 SER H 1 87 TYR HB2 . . 4.870 4.722 4.484 4.880 0.010 10 0 "[ . 1 . 2]" 1
68 1 15 SER H 1 87 TYR HB3 . . 4.380 3.431 3.168 3.586 . 0 0 "[ . 1 . 2]" 1
69 1 15 SER H 1 87 TYR QD . . 3.510 2.660 2.449 2.828 . 0 0 "[ . 1 . 2]" 1
70 1 15 SER H 1 87 TYR QE . . 4.100 3.183 2.962 3.445 . 0 0 "[ . 1 . 2]" 1
71 1 15 SER H 1 88 SER H . . 5.500 4.989 4.717 5.343 . 0 0 "[ . 1 . 2]" 1
72 1 15 SER HA 1 16 PRO HD2 . . 3.350 2.566 2.451 2.640 . 0 0 "[ . 1 . 2]" 1
73 1 15 SER HA 1 16 PRO HD3 . . 3.440 1.957 1.939 1.979 . 0 0 "[ . 1 . 2]" 1
74 1 15 SER HA 1 61 ILE MD . . 3.720 2.155 1.963 3.139 . 0 0 "[ . 1 . 2]" 1
75 1 15 SER HA 1 91 LYS QD . . 4.450 2.926 2.478 3.480 . 0 0 "[ . 1 . 2]" 1
76 1 15 SER HB2 1 16 PRO HD2 . . 4.980 3.765 3.565 4.028 . 0 0 "[ . 1 . 2]" 1
77 1 15 SER HB2 1 17 VAL H . . 4.080 4.065 4.017 4.118 0.038 13 0 "[ . 1 . 2]" 1
78 1 15 SER HB2 1 87 TYR HB2 . . 4.560 4.353 3.778 4.582 0.022 17 0 "[ . 1 . 2]" 1
79 1 15 SER HB2 1 87 TYR HB3 . . 4.230 2.660 2.131 2.905 . 0 0 "[ . 1 . 2]" 1
80 1 15 SER HB2 1 87 TYR QD . . 4.480 4.238 3.892 4.464 . 0 0 "[ . 1 . 2]" 1
81 1 15 SER HB2 1 88 SER H . . 4.670 3.412 2.960 4.047 . 0 0 "[ . 1 . 2]" 1
82 1 15 SER HB2 1 91 LYS HA . . 4.670 4.152 3.247 4.859 0.189 13 0 "[ . 1 . 2]" 1
83 1 15 SER HB2 1 91 LYS QD . . 4.150 3.341 2.758 3.807 . 0 0 "[ . 1 . 2]" 1
84 1 15 SER HB3 1 17 VAL H . . 4.190 3.213 2.686 3.588 . 0 0 "[ . 1 . 2]" 1
85 1 15 SER HB3 1 87 TYR HB2 . . 4.280 3.898 3.527 4.504 0.224 20 0 "[ . 1 . 2]" 1
86 1 15 SER HB3 1 87 TYR HB3 . . 3.840 2.266 1.996 2.912 . 0 0 "[ . 1 . 2]" 1
87 1 15 SER HB3 1 87 TYR QD . . 4.210 3.000 2.641 3.435 . 0 0 "[ . 1 . 2]" 1
88 1 15 SER HB3 1 88 SER H . . 4.210 2.253 1.957 2.716 . 0 0 "[ . 1 . 2]" 1
89 1 15 SER HB3 1 91 LYS QD . . 5.030 4.601 4.066 5.024 . 0 0 "[ . 1 . 2]" 1
90 1 15 SER HG 1 17 VAL H . . 3.980 2.905 2.083 3.332 . 0 0 "[ . 1 . 2]" 1
91 1 15 SER HG 1 17 VAL HB . . 4.270 3.259 2.526 3.742 . 0 0 "[ . 1 . 2]" 1
92 1 15 SER HG 1 91 LYS HA . . 4.030 2.495 2.000 2.978 . 0 0 "[ . 1 . 2]" 1
93 1 15 SER HG 1 91 LYS QD . . 4.930 3.125 2.232 4.336 . 0 0 "[ . 1 . 2]" 1
94 1 16 PRO HA 1 58 PHE H . . 5.000 4.172 4.031 4.288 . 0 0 "[ . 1 . 2]" 1
95 1 16 PRO HA 1 61 ILE HA . . 3.470 2.169 2.006 2.357 . 0 0 "[ . 1 . 2]" 1
96 1 16 PRO HA 1 61 ILE HB . . 4.810 3.769 3.557 4.105 . 0 0 "[ . 1 . 2]" 1
97 1 16 PRO HA 1 61 ILE HG13 . . 4.200 2.833 2.388 4.247 0.047 12 0 "[ . 1 . 2]" 1
98 1 16 PRO HA 1 64 ALA H . . 4.870 3.761 3.504 4.059 . 0 0 "[ . 1 . 2]" 1
99 1 16 PRO HA 1 64 ALA MB . . 3.070 1.982 1.883 2.052 . 0 0 "[ . 1 . 2]" 1
100 1 16 PRO HB2 1 58 PHE H . . 5.450 3.954 3.706 4.226 . 0 0 "[ . 1 . 2]" 1
101 1 16 PRO HB2 1 61 ILE HA . . 4.490 3.669 3.452 3.971 . 0 0 "[ . 1 . 2]" 1
102 1 16 PRO HB3 1 61 ILE HA . . 3.560 2.252 1.997 2.615 . 0 0 "[ . 1 . 2]" 1
103 1 16 PRO HB3 1 61 ILE HB . . 2.540 2.476 2.279 2.584 0.044 12 0 "[ . 1 . 2]" 1
104 1 16 PRO HB3 1 61 ILE MD . . 3.650 3.597 3.221 3.684 0.034 6 0 "[ . 1 . 2]" 1
105 1 16 PRO HB3 1 61 ILE HG13 . . 4.120 3.340 2.984 3.900 . 0 0 "[ . 1 . 2]" 1
106 1 16 PRO HB3 1 61 ILE MG . . 4.030 3.994 3.814 4.095 0.065 12 0 "[ . 1 . 2]" 1
107 1 16 PRO HB3 1 64 ALA MB . . 3.640 3.668 3.498 3.713 0.073 20 0 "[ . 1 . 2]" 1
108 1 16 PRO HD2 1 17 VAL H . . 4.390 2.578 2.420 2.728 . 0 0 "[ . 1 . 2]" 1
109 1 16 PRO HD2 1 61 ILE MD . . 3.500 3.550 3.387 4.241 0.741 14 2 "[ . 1 - +. 2]" 1
110 1 16 PRO HD2 1 61 ILE HG13 . . 4.260 4.321 4.132 4.808 0.548 13 1 "[ . 1 + . 2]" 1
111 1 16 PRO HD2 1 91 LYS HA . . 3.330 2.433 1.971 2.729 . 0 0 "[ . 1 . 2]" 1
112 1 16 PRO HD2 1 91 LYS QD . . 4.960 2.755 1.911 3.907 . 0 0 "[ . 1 . 2]" 1
113 1 16 PRO HD3 1 17 VAL H . . 4.040 3.768 3.699 3.837 . 0 0 "[ . 1 . 2]" 1
114 1 16 PRO HD3 1 61 ILE MD . . 4.060 2.144 1.937 3.328 . 0 0 "[ . 1 . 2]" 1
115 1 16 PRO HD3 1 91 LYS HA . . 3.900 3.740 3.339 3.914 0.014 5 0 "[ . 1 . 2]" 1
116 1 16 PRO HG2 1 17 VAL MG2 . . 2.770 2.739 2.589 2.813 0.043 18 0 "[ . 1 . 2]" 1
117 1 17 VAL H 1 17 VAL HB . . 3.540 2.569 2.506 2.668 . 0 0 "[ . 1 . 2]" 1
118 1 17 VAL H 1 17 VAL MG1 . . 3.760 3.818 3.789 3.861 0.101 12 0 "[ . 1 . 2]" 1
119 1 17 VAL H 1 17 VAL MG2 . . 3.640 2.530 2.274 2.670 . 0 0 "[ . 1 . 2]" 1
120 1 17 VAL H 1 18 VAL H . . 5.500 4.156 3.996 4.270 . 0 0 "[ . 1 . 2]" 1
121 1 17 VAL H 1 64 ALA MB . . 5.500 3.701 3.504 3.883 . 0 0 "[ . 1 . 2]" 1
122 1 17 VAL H 1 91 LYS HA . . 4.330 4.057 3.584 4.330 . 0 0 "[ . 1 . 2]" 1
123 1 17 VAL HA 1 17 VAL MG1 . . 3.350 2.421 2.355 2.458 . 0 0 "[ . 1 . 2]" 1
124 1 17 VAL HA 1 17 VAL MG2 . . 3.070 2.474 2.399 2.535 . 0 0 "[ . 1 . 2]" 1
125 1 17 VAL HA 1 18 VAL H . . 3.380 2.201 2.187 2.217 . 0 0 "[ . 1 . 2]" 1
126 1 17 VAL HA 1 18 VAL MG2 . . 3.730 3.417 3.359 3.515 . 0 0 "[ . 1 . 2]" 1
127 1 17 VAL HA 1 57 GLU HA . . 3.760 2.248 2.092 2.349 . 0 0 "[ . 1 . 2]" 1
128 1 17 VAL HB 1 88 SER H . . 4.740 3.719 3.480 3.883 . 0 0 "[ . 1 . 2]" 1
129 1 17 VAL HB 1 88 SER HB2 . . 3.930 3.290 2.235 3.879 . 0 0 "[ . 1 . 2]" 1
130 1 17 VAL HB 1 88 SER HB3 . . 3.480 2.568 2.007 3.865 0.385 4 0 "[ . 1 . 2]" 1
131 1 17 VAL MG1 1 18 VAL H . . 3.710 3.148 3.041 3.274 . 0 0 "[ . 1 . 2]" 1
132 1 17 VAL MG1 1 18 VAL HA . . 4.290 4.206 4.129 4.273 . 0 0 "[ . 1 . 2]" 1
133 1 17 VAL MG1 1 19 HIS H . . 4.730 4.524 4.401 4.718 . 0 0 "[ . 1 . 2]" 1
134 1 17 VAL MG1 1 19 HIS HA . . 4.980 3.927 3.855 4.063 . 0 0 "[ . 1 . 2]" 1
135 1 17 VAL MG1 1 55 LEU HA . . 3.040 3.097 3.058 3.158 0.118 15 0 "[ . 1 . 2]" 1
136 1 17 VAL MG1 1 55 LEU HB2 . . 3.020 3.002 2.899 3.076 0.056 9 0 "[ . 1 . 2]" 1
137 1 17 VAL MG1 1 55 LEU HB3 . . 2.870 1.876 1.842 1.912 . 0 0 "[ . 1 . 2]" 1
138 1 17 VAL MG1 1 56 VAL H . . 4.260 2.564 2.416 2.713 . 0 0 "[ . 1 . 2]" 1
139 1 17 VAL MG1 1 57 GLU H . . 5.450 3.554 3.293 3.741 . 0 0 "[ . 1 . 2]" 1
140 1 17 VAL MG1 1 57 GLU HA . . 3.410 3.184 2.935 3.389 . 0 0 "[ . 1 . 2]" 1
141 1 17 VAL MG1 1 57 GLU HB2 . . 3.970 2.879 2.644 3.054 . 0 0 "[ . 1 . 2]" 1
142 1 17 VAL MG1 1 88 SER H . . 4.460 4.269 3.941 4.456 . 0 0 "[ . 1 . 2]" 1
143 1 17 VAL MG1 1 88 SER HB2 . . 3.270 2.947 2.604 3.277 0.007 16 0 "[ . 1 . 2]" 1
144 1 17 VAL MG1 1 88 SER HB3 . . 3.370 2.949 2.611 3.278 . 0 0 "[ . 1 . 2]" 1
145 1 17 VAL MG1 1 93 ILE H . . 5.230 4.339 3.985 5.040 . 0 0 "[ . 1 . 2]" 1
146 1 17 VAL MG1 1 93 ILE MD . . 2.400 2.205 1.945 2.404 0.004 6 0 "[ . 1 . 2]" 1
147 1 17 VAL MG1 1 93 ILE HG12 . . 2.890 2.190 1.930 2.539 . 0 0 "[ . 1 . 2]" 1
148 1 17 VAL MG2 1 18 VAL H . . 4.660 4.286 4.233 4.322 . 0 0 "[ . 1 . 2]" 1
149 1 17 VAL MG2 1 57 GLU HA . . 3.360 2.379 2.075 2.626 . 0 0 "[ . 1 . 2]" 1
150 1 17 VAL MG2 1 57 GLU HB2 . . 2.830 1.989 1.967 2.072 . 0 0 "[ . 1 . 2]" 1
151 1 17 VAL MG2 1 57 GLU HB3 . . 4.490 3.539 3.451 3.606 . 0 0 "[ . 1 . 2]" 1
152 1 17 VAL MG2 1 57 GLU QG . . 3.640 3.108 2.939 3.327 . 0 0 "[ . 1 . 2]" 1
153 1 17 VAL MG2 1 58 PHE H . . 4.930 4.097 3.838 4.359 . 0 0 "[ . 1 . 2]" 1
154 1 17 VAL MG2 1 88 SER HB3 . . 4.140 4.110 3.642 5.064 0.924 4 3 "[- +. 1 . * 2]" 1
155 1 17 VAL MG2 1 91 LYS HA . . 4.070 3.512 2.638 3.965 . 0 0 "[ . 1 . 2]" 1
156 1 17 VAL MG2 1 92 ARG H . . 4.130 3.918 3.620 4.143 0.013 16 0 "[ . 1 . 2]" 1
157 1 17 VAL MG2 1 92 ARG HA . . 3.290 2.522 2.159 3.228 . 0 0 "[ . 1 . 2]" 1
158 1 17 VAL MG2 1 93 ILE H . . 3.980 3.176 2.659 3.879 . 0 0 "[ . 1 . 2]" 1
159 1 17 VAL MG2 1 93 ILE MD . . 3.180 2.946 2.697 3.095 . 0 0 "[ . 1 . 2]" 1
160 1 17 VAL MG2 1 93 ILE HG12 . . 3.220 2.912 2.684 3.205 . 0 0 "[ . 1 . 2]" 1
161 1 17 VAL MG2 1 93 ILE HG13 . . 4.090 2.300 1.931 2.674 . 0 0 "[ . 1 . 2]" 1
162 1 18 VAL H 1 18 VAL HB . . 3.290 2.712 2.608 2.786 . 0 0 "[ . 1 . 2]" 1
163 1 18 VAL H 1 18 VAL MG1 . . 4.030 3.716 3.688 3.739 . 0 0 "[ . 1 . 2]" 1
164 1 18 VAL H 1 18 VAL MG2 . . 3.450 1.901 1.854 2.009 . 0 0 "[ . 1 . 2]" 1
165 1 18 VAL H 1 56 VAL H . . 4.520 2.912 2.831 3.015 . 0 0 "[ . 1 . 2]" 1
166 1 18 VAL H 1 56 VAL HB . . 4.390 3.291 3.086 3.611 . 0 0 "[ . 1 . 2]" 1
167 1 18 VAL H 1 56 VAL QG . . 5.400 3.650 3.527 3.945 . 0 0 "[ . 1 . 2]" 1
168 1 18 VAL H 1 58 PHE H . . 5.160 4.021 3.882 4.211 . 0 0 "[ . 1 . 2]" 1
169 1 18 VAL H 1 58 PHE QD . . 5.140 3.321 3.117 3.528 . 0 0 "[ . 1 . 2]" 1
170 1 18 VAL HA 1 18 VAL MG1 . . 3.350 2.158 2.083 2.254 . 0 0 "[ . 1 . 2]" 1
171 1 18 VAL HA 1 18 VAL MG2 . . 3.510 2.585 2.498 2.643 . 0 0 "[ . 1 . 2]" 1
172 1 18 VAL HA 1 19 HIS H . . 3.390 2.189 2.183 2.200 . 0 0 "[ . 1 . 2]" 1
173 1 18 VAL HA 1 56 VAL H . . 5.440 4.704 4.535 4.904 . 0 0 "[ . 1 . 2]" 1
174 1 18 VAL HA 1 68 VAL QG . . 4.870 3.569 3.413 3.845 . 0 0 "[ . 1 . 2]" 1
175 1 18 VAL HA 1 87 TYR QD . . 4.590 3.743 3.509 4.003 . 0 0 "[ . 1 . 2]" 1
176 1 18 VAL HA 1 88 SER H . . 3.700 3.405 2.944 3.715 0.015 20 0 "[ . 1 . 2]" 1
177 1 18 VAL HB 1 19 HIS H . . 4.730 4.095 4.006 4.153 . 0 0 "[ . 1 . 2]" 1
178 1 18 VAL HB 1 20 VAL MG2 . . 3.980 3.153 3.018 3.393 . 0 0 "[ . 1 . 2]" 1
179 1 18 VAL HB 1 56 VAL H . . 4.750 3.785 3.550 3.967 . 0 0 "[ . 1 . 2]" 1
180 1 18 VAL HB 1 56 VAL HB . . 3.520 2.851 2.543 3.369 . 0 0 "[ . 1 . 2]" 1
181 1 18 VAL HB 1 56 VAL QG . . 4.060 3.517 3.324 3.789 . 0 0 "[ . 1 . 2]" 1
182 1 18 VAL HB 1 58 PHE QE . . 3.730 3.126 2.717 3.280 . 0 0 "[ . 1 . 2]" 1
183 1 18 VAL HB 1 68 VAL QG . . 5.490 4.153 4.035 4.303 . 0 0 "[ . 1 . 2]" 1
184 1 18 VAL MG1 1 19 HIS H . . 3.460 2.927 2.817 3.071 . 0 0 "[ . 1 . 2]" 1
185 1 18 VAL MG1 1 19 HIS HA . . 4.740 4.540 4.368 4.669 . 0 0 "[ . 1 . 2]" 1
186 1 18 VAL MG1 1 20 VAL MG2 . . 3.340 3.362 3.283 3.399 0.059 18 0 "[ . 1 . 2]" 1
187 1 18 VAL MG1 1 58 PHE QE . . 3.530 3.513 3.355 3.585 0.055 20 0 "[ . 1 . 2]" 1
188 1 18 VAL MG1 1 68 VAL HA . . 4.550 3.340 3.123 3.579 . 0 0 "[ . 1 . 2]" 1
189 1 18 VAL MG1 1 68 VAL QG . . 2.890 1.863 1.752 2.064 . 0 0 "[ . 1 . 2]" 1
190 1 18 VAL MG1 1 85 PHE HA . . 3.940 2.457 2.155 2.725 . 0 0 "[ . 1 . 2]" 1
191 1 18 VAL MG1 1 85 PHE HB2 . . 4.100 3.343 3.186 3.610 . 0 0 "[ . 1 . 2]" 1
192 1 18 VAL MG1 1 85 PHE HB3 . . 3.520 1.926 1.784 2.200 . 0 0 "[ . 1 . 2]" 1
193 1 18 VAL MG1 1 85 PHE QD . . 3.220 2.250 1.843 2.525 . 0 0 "[ . 1 . 2]" 1
194 1 18 VAL MG1 1 86 ASN H . . 3.920 2.499 2.091 2.809 . 0 0 "[ . 1 . 2]" 1
195 1 18 VAL MG1 1 87 TYR QD . . 3.610 3.651 3.620 3.735 0.125 18 0 "[ . 1 . 2]" 1
196 1 18 VAL MG2 1 56 VAL H . . 4.280 4.038 3.809 4.285 0.005 8 0 "[ . 1 . 2]" 1
197 1 18 VAL MG2 1 56 VAL HB . . 3.560 3.201 2.833 3.481 . 0 0 "[ . 1 . 2]" 1
198 1 18 VAL MG2 1 58 PHE QD . . 3.600 2.022 1.926 2.218 . 0 0 "[ . 1 . 2]" 1
199 1 18 VAL MG2 1 58 PHE QE . . 3.050 1.861 1.766 2.036 . 0 0 "[ . 1 . 2]" 1
200 1 18 VAL MG2 1 64 ALA HA . . 3.510 2.311 1.972 2.615 . 0 0 "[ . 1 . 2]" 1
201 1 18 VAL MG2 1 64 ALA MB . . 3.070 2.114 1.819 2.359 . 0 0 "[ . 1 . 2]" 1
202 1 18 VAL MG2 1 67 CYS QB . . 3.230 2.227 2.062 2.396 . 0 0 "[ . 1 . 2]" 1
203 1 18 VAL MG2 1 68 VAL QG . . 2.890 2.749 2.461 2.885 . 0 0 "[ . 1 . 2]" 1
204 1 18 VAL MG2 1 85 PHE QD . . 4.220 3.928 3.449 4.289 0.069 16 0 "[ . 1 . 2]" 1
205 1 18 VAL MG2 1 87 TYR QD . . 4.250 3.653 3.237 3.982 . 0 0 "[ . 1 . 2]" 1
206 1 18 VAL MG2 1 87 TYR QE . . 4.850 4.214 3.687 4.674 . 0 0 "[ . 1 . 2]" 1
207 1 19 HIS H 1 19 HIS HB2 . . 3.940 2.678 2.593 2.844 . 0 0 "[ . 1 . 2]" 1
208 1 19 HIS H 1 19 HIS HB3 . . 3.690 2.366 2.227 2.435 . 0 0 "[ . 1 . 2]" 1
209 1 19 HIS H 1 19 HIS HD2 . . 5.240 4.928 4.838 5.003 . 0 0 "[ . 1 . 2]" 1
210 1 19 HIS H 1 20 VAL H . . 4.340 4.366 4.338 4.400 0.060 8 0 "[ . 1 . 2]" 1
211 1 19 HIS H 1 55 LEU MD2 . . 4.670 4.137 3.976 4.241 . 0 0 "[ . 1 . 2]" 1
212 1 19 HIS H 1 68 VAL QG . . 4.970 4.407 4.166 4.620 . 0 0 "[ . 1 . 2]" 1
213 1 19 HIS H 1 86 ASN H . . 4.200 2.837 2.676 2.999 . 0 0 "[ . 1 . 2]" 1
214 1 19 HIS H 1 88 SER H . . 4.900 3.654 3.060 4.046 . 0 0 "[ . 1 . 2]" 1
215 1 19 HIS H 1 88 SER HB2 . . 5.500 3.436 2.886 4.687 . 0 0 "[ . 1 . 2]" 1
216 1 19 HIS HA 1 19 HIS HD2 . . 4.020 2.568 2.425 2.840 . 0 0 "[ . 1 . 2]" 1
217 1 19 HIS HA 1 20 VAL H . . 3.270 2.199 2.191 2.207 . 0 0 "[ . 1 . 2]" 1
218 1 19 HIS HA 1 20 VAL HB . . 4.880 4.777 4.735 4.827 . 0 0 "[ . 1 . 2]" 1
219 1 19 HIS HA 1 20 VAL MG2 . . 3.840 3.479 3.378 3.589 . 0 0 "[ . 1 . 2]" 1
220 1 19 HIS HA 1 55 LEU HA . . 3.850 2.788 2.616 3.075 . 0 0 "[ . 1 . 2]" 1
221 1 19 HIS HA 1 55 LEU MD2 . . 3.150 2.189 1.937 2.340 . 0 0 "[ . 1 . 2]" 1
222 1 19 HIS HA 1 56 VAL H . . 4.700 4.111 3.887 4.478 . 0 0 "[ . 1 . 2]" 1
223 1 19 HIS HB2 1 20 VAL H . . 5.500 4.460 4.364 4.515 . 0 0 "[ . 1 . 2]" 1
224 1 19 HIS HB2 1 55 LEU MD2 . . 3.770 2.854 2.557 3.045 . 0 0 "[ . 1 . 2]" 1
225 1 19 HIS HB2 1 88 SER H . . 4.760 4.214 3.711 4.658 . 0 0 "[ . 1 . 2]" 1
226 1 19 HIS HB2 1 88 SER HB2 . . 4.400 2.617 2.003 4.109 . 0 0 "[ . 1 . 2]" 1
227 1 19 HIS HB3 1 20 VAL H . . 5.500 4.511 4.481 4.582 . 0 0 "[ . 1 . 2]" 1
228 1 19 HIS HB3 1 55 LEU MD2 . . 4.120 4.072 3.868 4.139 0.019 11 0 "[ . 1 . 2]" 1
229 1 19 HIS HB3 1 86 ASN H . . 4.630 3.345 2.991 3.603 . 0 0 "[ . 1 . 2]" 1
230 1 19 HIS HB3 1 86 ASN HB3 . . 5.180 4.747 3.119 5.477 0.297 6 0 "[ . 1 . 2]" 1
231 1 19 HIS HB3 1 88 SER HA . . 4.040 3.544 3.002 4.002 . 0 0 "[ . 1 . 2]" 1
232 1 19 HIS HB3 1 88 SER HB2 . . 4.800 4.025 3.333 5.398 0.598 4 3 "[* +. 1 . - 2]" 1
233 1 19 HIS HD2 1 20 VAL H . . 3.830 2.585 2.442 2.738 . 0 0 "[ . 1 . 2]" 1
234 1 19 HIS HD2 1 20 VAL MG1 . . 5.500 5.158 4.708 5.516 0.016 8 0 "[ . 1 . 2]" 1
235 1 19 HIS HD2 1 20 VAL MG2 . . 4.550 4.287 4.130 4.481 . 0 0 "[ . 1 . 2]" 1
236 1 19 HIS HD2 1 21 ARG HG2 . . 5.440 3.352 2.576 4.266 . 0 0 "[ . 1 . 2]" 1
237 1 19 HIS HD2 1 21 ARG HG3 . . 4.760 4.602 3.817 5.426 0.666 9 2 "[ . +1 . -2]" 1
238 1 19 HIS HD2 1 48 MET ME . . 4.360 2.961 2.462 3.532 . 0 0 "[ . 1 . 2]" 1
239 1 19 HIS HD2 1 53 GLN HB2 . . 4.930 4.396 4.043 5.080 0.150 15 0 "[ . 1 . 2]" 1
240 1 19 HIS HD2 1 53 GLN HB3 . . 4.810 2.803 2.465 4.926 0.116 15 0 "[ . 1 . 2]" 1
241 1 19 HIS HD2 1 54 ALA H . . 4.650 2.667 2.447 2.936 . 0 0 "[ . 1 . 2]" 1
242 1 19 HIS HD2 1 55 LEU MD2 . . 3.810 2.726 2.083 3.356 . 0 0 "[ . 1 . 2]" 1
243 1 19 HIS HD2 1 55 LEU HG . . 4.920 4.331 3.888 4.939 0.019 15 0 "[ . 1 . 2]" 1
244 1 19 HIS HE1 1 21 ARG QB . . 4.670 4.606 4.084 4.697 0.027 14 0 "[ . 1 . 2]" 1
245 1 19 HIS HE1 1 21 ARG QD . . 4.690 3.603 2.453 4.696 0.006 3 0 "[ . 1 . 2]" 1
246 1 19 HIS HE1 1 48 MET ME . . 4.420 4.234 3.936 4.610 0.190 15 0 "[ . 1 . 2]" 1
247 1 19 HIS HE1 1 55 LEU MD2 . . 4.950 4.950 4.844 5.024 0.074 15 0 "[ . 1 . 2]" 1
248 1 20 VAL H 1 20 VAL HB . . 3.610 2.584 2.544 2.632 . 0 0 "[ . 1 . 2]" 1
249 1 20 VAL H 1 20 VAL MG1 . . 4.450 3.751 3.747 3.758 . 0 0 "[ . 1 . 2]" 1
250 1 20 VAL H 1 20 VAL MG2 . . 3.390 2.072 1.917 2.217 . 0 0 "[ . 1 . 2]" 1
251 1 20 VAL H 1 21 ARG H . . 5.500 4.498 4.337 4.582 . 0 0 "[ . 1 . 2]" 1
252 1 20 VAL H 1 54 ALA H . . 4.280 2.924 2.847 3.106 . 0 0 "[ . 1 . 2]" 1
253 1 20 VAL H 1 54 ALA MB . . 4.410 3.767 3.654 3.922 . 0 0 "[ . 1 . 2]" 1
254 1 20 VAL H 1 55 LEU HA . . 4.530 2.933 2.788 3.015 . 0 0 "[ . 1 . 2]" 1
255 1 20 VAL H 1 55 LEU MD2 . . 3.920 3.409 2.816 3.719 . 0 0 "[ . 1 . 2]" 1
256 1 20 VAL HA 1 20 VAL MG1 . . 3.210 2.287 2.208 2.333 . 0 0 "[ . 1 . 2]" 1
257 1 20 VAL HA 1 20 VAL MG2 . . 3.390 2.509 2.434 2.555 . 0 0 "[ . 1 . 2]" 1
258 1 20 VAL HA 1 21 ARG H . . 3.150 2.198 2.182 2.240 . 0 0 "[ . 1 . 2]" 1
259 1 20 VAL HA 1 85 PHE HA . . 3.900 3.015 2.742 3.270 . 0 0 "[ . 1 . 2]" 1
260 1 20 VAL HA 1 86 ASN H . . 4.520 4.192 3.926 4.498 . 0 0 "[ . 1 . 2]" 1
261 1 20 VAL HB 1 54 ALA H . . 3.520 2.851 2.688 3.023 . 0 0 "[ . 1 . 2]" 1
262 1 20 VAL HB 1 54 ALA MB . . 3.070 2.218 2.045 2.408 . 0 0 "[ . 1 . 2]" 1
263 1 20 VAL MG1 1 21 ARG H . . 3.440 2.840 2.558 3.230 . 0 0 "[ . 1 . 2]" 1
264 1 20 VAL MG1 1 23 LEU MD2 . . 2.540 2.044 1.750 2.393 . 0 0 "[ . 1 . 2]" 1
265 1 20 VAL MG1 1 23 LEU HG . . 3.220 2.367 1.976 2.807 . 0 0 "[ . 1 . 2]" 1
266 1 20 VAL MG1 1 54 ALA H . . 4.180 4.173 4.044 4.257 0.077 15 0 "[ . 1 . 2]" 1
267 1 20 VAL MG1 1 54 ALA MB . . 3.270 3.155 2.937 3.279 0.009 7 0 "[ . 1 . 2]" 1
268 1 20 VAL MG1 1 83 ALA MB . . 2.990 2.500 2.299 2.874 . 0 0 "[ . 1 . 2]" 1
269 1 20 VAL MG1 1 84 PHE H . . 4.410 3.365 3.086 3.890 . 0 0 "[ . 1 . 2]" 1
270 1 20 VAL MG1 1 85 PHE HA . . 4.290 4.071 3.677 4.283 . 0 0 "[ . 1 . 2]" 1
271 1 20 VAL MG1 1 85 PHE QE . . 3.780 2.740 2.179 3.239 . 0 0 "[ . 1 . 2]" 1
272 1 20 VAL MG1 1 85 PHE HZ . . 4.380 3.382 3.040 3.791 . 0 0 "[ . 1 . 2]" 1
273 1 20 VAL MG2 1 21 ARG H . . 4.480 4.279 4.184 4.365 . 0 0 "[ . 1 . 2]" 1
274 1 20 VAL MG2 1 54 ALA H . . 4.330 3.897 3.739 4.085 . 0 0 "[ . 1 . 2]" 1
275 1 20 VAL MG2 1 54 ALA MB . . 2.770 2.795 2.777 2.813 0.043 5 0 "[ . 1 . 2]" 1
276 1 20 VAL MG2 1 55 LEU HA . . 3.760 3.096 2.910 3.321 . 0 0 "[ . 1 . 2]" 1
277 1 20 VAL MG2 1 56 VAL H . . 3.510 3.440 3.290 3.538 0.028 12 0 "[ . 1 . 2]" 1
278 1 20 VAL MG2 1 56 VAL HB . . 3.100 3.107 3.051 3.155 0.055 15 0 "[ . 1 . 2]" 1
279 1 20 VAL MG2 1 85 PHE HA . . 4.850 3.709 3.406 3.882 . 0 0 "[ . 1 . 2]" 1
280 1 20 VAL MG2 1 85 PHE QD . . 3.110 2.515 2.014 3.117 0.007 17 0 "[ . 1 . 2]" 1
281 1 20 VAL MG2 1 85 PHE QE . . 3.680 2.208 1.914 2.528 . 0 0 "[ . 1 . 2]" 1
282 1 21 ARG H 1 21 ARG QB . . 3.850 2.933 2.687 3.276 . 0 0 "[ . 1 . 2]" 1
283 1 21 ARG H 1 21 ARG QD . . 4.430 4.152 3.729 4.364 . 0 0 "[ . 1 . 2]" 1
284 1 21 ARG H 1 21 ARG HG2 . . 4.080 3.092 2.751 3.757 . 0 0 "[ . 1 . 2]" 1
285 1 21 ARG H 1 21 ARG HG3 . . 4.150 2.312 1.936 2.620 . 0 0 "[ . 1 . 2]" 1
286 1 21 ARG H 1 23 LEU MD2 . . 4.550 4.467 4.026 5.237 0.687 9 2 "[ - . +1 . 2]" 1
287 1 21 ARG H 1 83 ALA MB . . 5.180 3.837 3.081 4.346 . 0 0 "[ . 1 . 2]" 1
288 1 21 ARG H 1 84 PHE H . . 3.760 2.612 2.314 3.007 . 0 0 "[ . 1 . 2]" 1
289 1 21 ARG H 1 84 PHE HB2 . . 4.800 2.769 2.505 3.278 . 0 0 "[ . 1 . 2]" 1
290 1 21 ARG H 1 84 PHE HB3 . . 5.460 4.243 3.840 4.769 . 0 0 "[ . 1 . 2]" 1
291 1 21 ARG H 1 85 PHE HA . . 4.520 4.146 3.773 4.486 . 0 0 "[ . 1 . 2]" 1
292 1 21 ARG HA 1 21 ARG QD . . 4.510 4.303 3.694 4.544 0.034 19 0 "[ . 1 . 2]" 1
293 1 21 ARG HA 1 23 LEU H . . 4.760 4.033 3.590 4.578 . 0 0 "[ . 1 . 2]" 1
294 1 21 ARG HA 1 53 GLN HA . . 3.660 2.357 2.148 2.586 . 0 0 "[ . 1 . 2]" 1
295 1 21 ARG HA 1 53 GLN QG . . 4.140 2.344 1.858 2.842 . 0 0 "[ . 1 . 2]" 1
296 1 21 ARG HA 1 54 ALA H . . 4.000 3.942 3.790 4.024 0.024 15 0 "[ . 1 . 2]" 1
297 1 21 ARG QB 1 21 ARG QD . . 3.040 2.313 1.995 2.566 . 0 0 "[ . 1 . 2]" 1
298 1 21 ARG QB 1 22 GLY H . . 3.270 2.547 2.287 3.076 . 0 0 "[ . 1 . 2]" 1
299 1 21 ARG QB 1 23 LEU H . . 5.260 4.911 4.552 5.185 . 0 0 "[ . 1 . 2]" 1
300 1 21 ARG QB 1 53 GLN QG . . 4.200 2.572 1.858 3.500 . 0 0 "[ . 1 . 2]" 1
301 1 21 ARG QB 1 84 PHE HB2 . . 3.980 2.664 1.975 3.904 . 0 0 "[ . 1 . 2]" 1
302 1 21 ARG QD 1 84 PHE HB2 . . 5.500 3.363 2.318 4.030 . 0 0 "[ . 1 . 2]" 1
303 1 21 ARG HG2 1 22 GLY H . . 5.120 4.813 4.509 5.468 0.348 3 0 "[ . 1 . 2]" 1
304 1 21 ARG HG2 1 53 GLN QG . . 4.530 2.868 2.296 3.500 . 0 0 "[ . 1 . 2]" 1
305 1 21 ARG HG2 1 84 PHE HB2 . . 4.180 4.106 3.676 4.231 0.051 8 0 "[ . 1 . 2]" 1
306 1 21 ARG HG3 1 53 GLN QG . . 4.710 4.205 3.520 4.558 . 0 0 "[ . 1 . 2]" 1
307 1 21 ARG HG3 1 84 PHE H . . 5.360 4.126 3.608 4.711 . 0 0 "[ . 1 . 2]" 1
308 1 21 ARG HG3 1 84 PHE HB2 . . 4.000 2.540 1.998 3.036 . 0 0 "[ . 1 . 2]" 1
309 1 22 GLY H 1 23 LEU H . . 3.790 2.883 2.143 3.412 . 0 0 "[ . 1 . 2]" 1
310 1 22 GLY H 1 23 LEU HG . . 4.700 4.360 3.968 4.723 0.023 3 0 "[ . 1 . 2]" 1
311 1 22 GLY H 1 52 ARG HB2 . . 5.500 4.161 3.463 5.018 . 0 0 "[ . 1 . 2]" 1
312 1 22 GLY H 1 53 GLN QG . . 5.500 3.433 3.012 4.808 . 0 0 "[ . 1 . 2]" 1
313 1 22 GLY HA2 1 84 PHE QD . . 4.520 4.263 3.848 4.531 0.011 19 0 "[ . 1 . 2]" 1
314 1 22 GLY HA3 1 84 PHE H . . 4.930 4.272 3.771 4.813 . 0 0 "[ . 1 . 2]" 1
315 1 22 GLY HA3 1 84 PHE QD . . 4.360 2.802 2.454 3.082 . 0 0 "[ . 1 . 2]" 1
316 1 23 LEU H 1 23 LEU QB . . 3.110 2.343 2.223 2.497 . 0 0 "[ . 1 . 2]" 1
317 1 23 LEU H 1 23 LEU MD1 . . 4.000 3.706 1.811 4.014 0.014 16 0 "[ . 1 . 2]" 1
318 1 23 LEU H 1 23 LEU MD2 . . 3.960 3.885 3.662 3.972 0.012 7 0 "[ . 1 . 2]" 1
319 1 23 LEU H 1 23 LEU HG . . 3.610 3.042 2.851 3.338 . 0 0 "[ . 1 . 2]" 1
320 1 23 LEU H 1 24 CYS H . . 5.450 4.450 3.927 4.593 . 0 0 "[ . 1 . 2]" 1
321 1 23 LEU H 1 27 VAL QG . . 5.240 4.836 4.593 4.951 . 0 0 "[ . 1 . 2]" 1
322 1 23 LEU H 1 52 ARG HB2 . . 4.330 3.288 2.717 4.321 . 0 0 "[ . 1 . 2]" 1
323 1 23 LEU H 1 52 ARG HB3 . . 4.810 2.096 1.931 2.603 . 0 0 "[ . 1 . 2]" 1
324 1 23 LEU H 1 53 GLN HA . . 5.330 4.282 3.703 4.542 . 0 0 "[ . 1 . 2]" 1
325 1 23 LEU HA 1 23 LEU MD1 . . 4.110 3.767 3.127 3.868 . 0 0 "[ . 1 . 2]" 1
326 1 23 LEU HA 1 23 LEU MD2 . . 3.060 2.156 1.943 3.718 0.658 3 2 "[ + . -1 . 2]" 1
327 1 23 LEU HA 1 24 CYS H . . 3.150 2.625 2.320 3.243 0.093 3 0 "[ . 1 . 2]" 1
328 1 23 LEU HA 1 27 VAL QG . . 4.130 3.348 3.032 3.602 . 0 0 "[ . 1 . 2]" 1
329 1 23 LEU QB 1 23 LEU MD1 . . 2.740 2.117 2.078 2.202 . 0 0 "[ . 1 . 2]" 1
330 1 23 LEU QB 1 24 CYS H . . 3.820 2.247 1.806 2.820 . 0 0 "[ . 1 . 2]" 1
331 1 23 LEU QB 1 27 VAL HB . . 3.610 2.858 2.442 3.173 . 0 0 "[ . 1 . 2]" 1
332 1 23 LEU QB 1 27 VAL QG . . 3.400 2.181 1.957 2.386 . 0 0 "[ . 1 . 2]" 1
333 1 23 LEU QB 1 52 ARG HA . . 4.050 3.762 3.311 4.073 0.023 3 0 "[ . 1 . 2]" 1
334 1 23 LEU QB 1 52 ARG HB2 . . 4.160 4.218 3.715 4.812 0.652 9 2 "[ - . +1 . 2]" 1
335 1 23 LEU QB 1 52 ARG HB3 . . 4.790 2.761 2.210 3.635 . 0 0 "[ . 1 . 2]" 1
336 1 23 LEU QB 1 52 ARG QD . . 4.930 3.580 2.709 4.423 . 0 0 "[ . 1 . 2]" 1
337 1 23 LEU QB 1 53 GLN H . . 5.500 4.652 4.306 4.988 . 0 0 "[ . 1 . 2]" 1
338 1 23 LEU QB 1 53 GLN HA . . 4.030 3.999 3.830 4.091 0.061 9 0 "[ . 1 . 2]" 1
339 1 23 LEU MD1 1 24 CYS H . . 5.460 4.250 3.980 4.710 . 0 0 "[ . 1 . 2]" 1
340 1 23 LEU MD1 1 27 VAL HB . . 4.480 3.622 3.246 5.428 0.948 3 2 "[ + . -1 . 2]" 1
341 1 23 LEU MD1 1 27 VAL QG . . 3.410 2.299 1.971 4.042 0.632 9 2 "[ - . +1 . 2]" 1
342 1 23 LEU MD1 1 32 LEU QD . . 3.400 2.278 1.857 3.595 0.195 9 0 "[ . 1 . 2]" 1
343 1 23 LEU MD1 1 32 LEU HG . . 5.000 3.897 2.957 5.717 0.717 3 2 "[ + . -1 . 2]" 1
344 1 23 LEU MD1 1 53 GLN H . . 4.970 4.160 3.408 4.991 0.021 19 0 "[ . 1 . 2]" 1
345 1 23 LEU MD1 1 53 GLN HA . . 3.820 2.881 1.818 3.404 . 0 0 "[ . 1 . 2]" 1
346 1 23 LEU MD1 1 54 ALA H . . 4.380 3.424 3.010 3.843 . 0 0 "[ . 1 . 2]" 1
347 1 23 LEU MD1 1 54 ALA MB . . 2.970 2.059 1.762 2.981 0.011 9 0 "[ . 1 . 2]" 1
348 1 23 LEU MD2 1 24 CYS H . . 3.960 3.060 2.823 3.651 . 0 0 "[ . 1 . 2]" 1
349 1 24 CYS H 1 24 CYS HB2 . . 3.710 2.223 2.050 2.936 . 0 0 "[ . 1 . 2]" 1
350 1 24 CYS H 1 24 CYS HB3 . . 3.680 3.131 2.844 3.344 . 0 0 "[ . 1 . 2]" 1
351 1 24 CYS H 1 27 VAL HB . . 4.710 3.443 2.775 3.955 . 0 0 "[ . 1 . 2]" 1
352 1 24 CYS H 1 27 VAL QG . . 3.750 1.861 1.778 2.185 . 0 0 "[ . 1 . 2]" 1
353 1 24 CYS HA 1 25 GLU HA . . 5.000 4.296 4.270 4.339 . 0 0 "[ . 1 . 2]" 1
354 1 24 CYS HA 1 52 ARG QD . . 4.770 4.073 3.267 4.625 . 0 0 "[ . 1 . 2]" 1
355 1 24 CYS HA 1 81 GLN QE . . 4.990 3.267 2.204 4.791 . 0 0 "[ . 1 . 2]" 1
356 1 24 CYS HB2 1 25 GLU H . . 4.350 3.970 3.703 4.237 . 0 0 "[ . 1 . 2]" 1
357 1 24 CYS HB2 1 27 VAL H . . 5.500 5.251 4.993 5.527 0.027 14 0 "[ . 1 . 2]" 1
358 1 24 CYS HB2 1 27 VAL HB . . 4.630 4.413 4.187 4.642 0.012 2 0 "[ . 1 . 2]" 1
359 1 24 CYS HB2 1 27 VAL QG . . 3.740 2.068 1.931 2.320 . 0 0 "[ . 1 . 2]" 1
360 1 24 CYS HB2 1 79 ALA MB . . 4.490 3.426 2.898 4.130 . 0 0 "[ . 1 . 2]" 1
361 1 24 CYS HB2 1 81 GLN HB2 . . 5.090 3.581 2.545 4.106 . 0 0 "[ . 1 . 2]" 1
362 1 24 CYS HB2 1 81 GLN HG2 . . 4.880 4.220 3.120 5.683 0.803 19 3 "[ . 1 . * +-]" 1
363 1 24 CYS HB3 1 25 GLU H . . 5.420 2.764 2.313 3.211 . 0 0 "[ . 1 . 2]" 1
364 1 24 CYS HB3 1 27 VAL H . . 5.370 4.229 3.875 4.461 . 0 0 "[ . 1 . 2]" 1
365 1 24 CYS HB3 1 27 VAL HA . . 5.280 4.246 3.871 4.628 . 0 0 "[ . 1 . 2]" 1
366 1 24 CYS HB3 1 27 VAL HB . . 4.540 4.181 3.794 4.547 0.007 16 0 "[ . 1 . 2]" 1
367 1 24 CYS HB3 1 27 VAL QG . . 3.980 2.146 1.963 2.530 . 0 0 "[ . 1 . 2]" 1
368 1 24 CYS HB3 1 79 ALA MB . . 4.500 4.086 3.568 4.509 0.009 9 0 "[ . 1 . 2]" 1
369 1 24 CYS HB3 1 81 GLN HB2 . . 5.500 4.902 4.025 5.286 . 0 0 "[ . 1 . 2]" 1
370 1 25 GLU H 1 25 GLU QB . . 3.770 2.205 2.012 2.621 . 0 0 "[ . 1 . 2]" 1
371 1 25 GLU H 1 25 GLU HG3 . . 5.500 3.624 2.166 4.436 . 0 0 "[ . 1 . 2]" 1
372 1 25 GLU HA 1 25 GLU QB . . 2.730 2.452 2.192 2.566 . 0 0 "[ . 1 . 2]" 1
373 1 25 GLU HA 1 27 VAL H . . 4.780 4.583 3.760 4.804 0.024 19 0 "[ . 1 . 2]" 1
374 1 25 GLU HA 1 52 ARG QD . . 3.720 2.180 1.953 3.065 . 0 0 "[ . 1 . 2]" 1
375 1 25 GLU HA 1 52 ARG HG2 . . 4.320 4.231 3.949 4.381 0.061 20 0 "[ . 1 . 2]" 1
376 1 25 GLU HA 1 52 ARG HG3 . . 4.330 3.960 3.459 4.407 0.077 16 0 "[ . 1 . 2]" 1
377 1 27 VAL H 1 27 VAL HB . . 3.120 2.310 2.224 2.363 . 0 0 "[ . 1 . 2]" 1
378 1 27 VAL H 1 27 VAL QG . . 3.330 2.933 2.819 3.001 . 0 0 "[ . 1 . 2]" 1
379 1 27 VAL H 1 28 VAL H . . 5.100 4.491 4.438 4.536 . 0 0 "[ . 1 . 2]" 1
380 1 27 VAL HA 1 27 VAL QG . . 3.160 2.069 2.006 2.133 . 0 0 "[ . 1 . 2]" 1
381 1 27 VAL HA 1 28 VAL H . . 2.830 2.269 2.216 2.418 . 0 0 "[ . 1 . 2]" 1
382 1 27 VAL HA 1 28 VAL MG1 . . 4.220 3.607 3.400 3.893 . 0 0 "[ . 1 . 2]" 1
383 1 27 VAL HA 1 28 VAL MG2 . . 3.730 3.568 3.302 3.716 . 0 0 "[ . 1 . 2]" 1
384 1 27 VAL HA 1 31 ASP QB . . 4.440 3.599 3.341 4.253 . 0 0 "[ . 1 . 2]" 1
385 1 27 VAL HA 1 79 ALA MB . . 4.170 3.646 3.334 3.943 . 0 0 "[ . 1 . 2]" 1
386 1 27 VAL HB 1 28 VAL H . . 4.370 4.289 4.030 4.385 0.015 15 0 "[ . 1 . 2]" 1
387 1 27 VAL HB 1 79 ALA MB . . 5.500 5.144 4.747 5.520 0.020 7 0 "[ . 1 . 2]" 1
388 1 27 VAL QG 1 28 VAL H . . 3.660 2.348 1.939 2.623 . 0 0 "[ . 1 . 2]" 1
389 1 27 VAL QG 1 28 VAL HA . . 4.390 3.379 3.202 3.510 . 0 0 "[ . 1 . 2]" 1
390 1 27 VAL QG 1 31 ASP QB . . 3.480 2.621 2.267 2.998 . 0 0 "[ . 1 . 2]" 1
391 1 27 VAL QG 1 32 LEU H . . 4.410 3.908 3.506 4.135 . 0 0 "[ . 1 . 2]" 1
392 1 27 VAL QG 1 32 LEU HG . . 3.550 2.823 2.500 3.509 . 0 0 "[ . 1 . 2]" 1
393 1 27 VAL QG 1 47 MET ME . . 3.040 2.193 1.852 2.922 . 0 0 "[ . 1 . 2]" 1
394 1 27 VAL QG 1 78 ILE HB . . 3.690 3.321 2.925 3.548 . 0 0 "[ . 1 . 2]" 1
395 1 27 VAL QG 1 78 ILE MG . . 2.930 2.010 1.704 2.189 . 0 0 "[ . 1 . 2]" 1
396 1 27 VAL QG 1 79 ALA MB . . 3.160 2.489 2.086 2.812 . 0 0 "[ . 1 . 2]" 1
397 1 28 VAL H 1 28 VAL MG1 . . 3.690 2.946 2.686 3.160 . 0 0 "[ . 1 . 2]" 1
398 1 28 VAL H 1 28 VAL MG2 . . 3.030 1.963 1.912 2.232 . 0 0 "[ . 1 . 2]" 1
399 1 28 VAL H 1 31 ASP H . . 4.450 3.701 3.358 3.995 . 0 0 "[ . 1 . 2]" 1
400 1 28 VAL H 1 31 ASP QB . . 3.890 2.295 1.970 3.316 . 0 0 "[ . 1 . 2]" 1
401 1 28 VAL H 1 47 MET ME . . 4.880 4.144 3.557 4.733 . 0 0 "[ . 1 . 2]" 1
402 1 28 VAL H 1 79 ALA MB . . 5.500 4.268 3.960 4.591 . 0 0 "[ . 1 . 2]" 1
403 1 28 VAL HA 1 28 VAL MG1 . . 2.810 2.315 2.210 2.416 . 0 0 "[ . 1 . 2]" 1
404 1 28 VAL HA 1 47 MET ME . . 3.130 3.002 2.367 3.136 0.006 8 0 "[ . 1 . 2]" 1
405 1 28 VAL HB 1 29 GLU H . . 3.100 2.307 1.950 2.618 . 0 0 "[ . 1 . 2]" 1
406 1 28 VAL HB 1 29 GLU HA . . 4.840 4.721 4.539 4.855 0.015 8 0 "[ . 1 . 2]" 1
407 1 28 VAL HB 1 29 GLU HB3 . . 4.500 4.362 4.260 4.466 . 0 0 "[ . 1 . 2]" 1
408 1 28 VAL HB 1 30 ALA H . . 4.190 3.312 2.876 3.597 . 0 0 "[ . 1 . 2]" 1
409 1 28 VAL HB 1 30 ALA MB . . 5.060 3.838 3.493 4.169 . 0 0 "[ . 1 . 2]" 1
410 1 28 VAL HB 1 31 ASP H . . 5.040 4.158 3.833 4.633 . 0 0 "[ . 1 . 2]" 1
411 1 28 VAL MG1 1 29 GLU H . . 3.730 3.618 3.344 3.765 0.035 8 0 "[ . 1 . 2]" 1
412 1 28 VAL MG2 1 29 GLU H . . 3.740 3.401 2.617 3.759 0.019 10 0 "[ . 1 . 2]" 1
413 1 28 VAL MG2 1 30 ALA H . . 3.170 2.928 2.529 3.177 0.007 1 0 "[ . 1 . 2]" 1
414 1 28 VAL MG2 1 30 ALA MB . . 3.060 2.495 2.267 2.767 . 0 0 "[ . 1 . 2]" 1
415 1 28 VAL MG2 1 31 ASP H . . 3.210 2.006 1.878 2.222 . 0 0 "[ . 1 . 2]" 1
416 1 28 VAL MG2 1 31 ASP HA . . 4.670 3.933 3.697 4.189 . 0 0 "[ . 1 . 2]" 1
417 1 28 VAL MG2 1 31 ASP QB . . 3.150 2.334 1.958 2.939 . 0 0 "[ . 1 . 2]" 1
418 1 29 GLU H 1 29 GLU HB2 . . 3.600 2.245 2.141 2.392 . 0 0 "[ . 1 . 2]" 1
419 1 29 GLU H 1 29 GLU HB3 . . 3.480 2.752 2.621 2.930 . 0 0 "[ . 1 . 2]" 1
420 1 29 GLU H 1 29 GLU HG3 . . 4.330 4.209 4.026 4.405 0.075 11 0 "[ . 1 . 2]" 1
421 1 29 GLU H 1 30 ALA H . . 4.040 2.883 2.593 3.110 . 0 0 "[ . 1 . 2]" 1
422 1 29 GLU H 1 47 MET ME . . 3.870 3.611 2.949 3.872 0.002 5 0 "[ . 1 . 2]" 1
423 1 29 GLU HA 1 29 GLU HB3 . . 3.030 3.038 3.027 3.051 0.021 11 0 "[ . 1 . 2]" 1
424 1 29 GLU HA 1 29 GLU HG2 . . 3.860 2.882 2.542 3.163 . 0 0 "[ . 1 . 2]" 1
425 1 29 GLU HA 1 29 GLU HG3 . . 3.860 2.412 2.250 3.000 . 0 0 "[ . 1 . 2]" 1
426 1 29 GLU HA 1 32 LEU H . . 4.150 3.391 3.299 3.422 . 0 0 "[ . 1 . 2]" 1
427 1 29 GLU HA 1 32 LEU HB2 . . 3.050 2.550 2.286 2.674 . 0 0 "[ . 1 . 2]" 1
428 1 29 GLU HA 1 32 LEU QD . . 3.230 2.647 1.962 2.889 . 0 0 "[ . 1 . 2]" 1
429 1 29 GLU HA 1 32 LEU HG . . 4.700 4.696 4.527 4.738 0.038 16 0 "[ . 1 . 2]" 1
430 1 29 GLU HA 1 33 VAL MG2 . . 4.180 3.481 3.395 3.585 . 0 0 "[ . 1 . 2]" 1
431 1 29 GLU HA 1 45 VAL HB . . 5.300 4.308 4.107 4.519 . 0 0 "[ . 1 . 2]" 1
432 1 29 GLU HA 1 45 VAL QG . . 3.690 2.812 2.560 3.411 . 0 0 "[ . 1 . 2]" 1
433 1 29 GLU HA 1 47 MET ME . . 3.780 3.048 2.712 3.300 . 0 0 "[ . 1 . 2]" 1
434 1 29 GLU HB2 1 29 GLU HG3 . . 2.920 2.512 2.290 2.645 . 0 0 "[ . 1 . 2]" 1
435 1 29 GLU HB2 1 30 ALA H . . 3.690 3.575 3.484 3.793 0.103 11 0 "[ . 1 . 2]" 1
436 1 29 GLU HB2 1 33 VAL MG2 . . 4.300 4.008 3.852 4.038 . 0 0 "[ . 1 . 2]" 1
437 1 29 GLU HB2 1 45 VAL HB . . 3.960 3.989 3.966 4.047 0.087 11 0 "[ . 1 . 2]" 1
438 1 29 GLU HB2 1 45 VAL QG . . 3.420 3.254 2.236 3.396 . 0 0 "[ . 1 . 2]" 1
439 1 29 GLU HB3 1 30 ALA H . . 3.760 2.319 2.211 2.560 . 0 0 "[ . 1 . 2]" 1
440 1 29 GLU HB3 1 30 ALA MB . . 4.050 3.822 3.754 3.974 . 0 0 "[ . 1 . 2]" 1
441 1 29 GLU HB3 1 33 VAL MG2 . . 2.850 2.935 2.899 2.984 0.134 11 0 "[ . 1 . 2]" 1
442 1 29 GLU HG2 1 30 ALA H . . 4.320 3.979 3.899 4.162 . 0 0 "[ . 1 . 2]" 1
443 1 29 GLU HG2 1 30 ALA HA . . 4.400 4.177 4.072 4.337 . 0 0 "[ . 1 . 2]" 1
444 1 29 GLU HG2 1 33 VAL MG2 . . 3.850 1.841 1.770 1.919 . 0 0 "[ . 1 . 2]" 1
445 1 29 GLU HG2 1 45 VAL HB . . 4.070 3.271 3.064 3.950 . 0 0 "[ . 1 . 2]" 1
446 1 29 GLU HG2 1 45 VAL QG . . 3.660 2.575 2.440 2.845 . 0 0 "[ . 1 . 2]" 1
447 1 29 GLU HG3 1 33 VAL MG2 . . 3.750 3.097 2.859 3.197 . 0 0 "[ . 1 . 2]" 1
448 1 29 GLU HG3 1 45 VAL HB . . 3.760 2.111 1.964 2.663 . 0 0 "[ . 1 . 2]" 1
449 1 29 GLU HG3 1 45 VAL QG . . 3.110 1.840 1.702 1.887 . 0 0 "[ . 1 . 2]" 1
450 1 30 ALA H 1 30 ALA MB . . 2.880 2.003 1.958 2.118 . 0 0 "[ . 1 . 2]" 1
451 1 30 ALA H 1 31 ASP H . . 3.940 3.174 3.027 3.285 . 0 0 "[ . 1 . 2]" 1
452 1 30 ALA H 1 32 LEU H . . 5.210 4.065 3.940 4.393 . 0 0 "[ . 1 . 2]" 1
453 1 30 ALA HA 1 33 VAL H . . 3.680 2.960 2.822 3.325 . 0 0 "[ . 1 . 2]" 1
454 1 30 ALA HA 1 33 VAL HB . . 3.080 2.002 1.965 2.192 . 0 0 "[ . 1 . 2]" 1
455 1 30 ALA HA 1 33 VAL MG1 . . 3.570 3.502 3.359 3.596 0.026 16 0 "[ . 1 . 2]" 1
456 1 30 ALA HA 1 33 VAL MG2 . . 3.250 2.278 1.976 2.582 . 0 0 "[ . 1 . 2]" 1
457 1 30 ALA MB 1 31 ASP H . . 3.560 2.135 1.986 2.310 . 0 0 "[ . 1 . 2]" 1
458 1 30 ALA MB 1 31 ASP HA . . 4.920 3.579 3.545 3.663 . 0 0 "[ . 1 . 2]" 1
459 1 30 ALA MB 1 33 VAL HB . . 3.700 3.598 3.513 3.814 0.114 16 0 "[ . 1 . 2]" 1
460 1 30 ALA MB 1 33 VAL MG1 . . 4.690 4.379 4.317 4.536 . 0 0 "[ . 1 . 2]" 1
461 1 30 ALA MB 1 33 VAL MG2 . . 3.960 3.639 3.400 3.884 . 0 0 "[ . 1 . 2]" 1
462 1 31 ASP H 1 31 ASP QB . . 3.750 2.289 2.084 2.510 . 0 0 "[ . 1 . 2]" 1
463 1 31 ASP H 1 32 LEU H . . 3.380 2.929 2.867 3.057 . 0 0 "[ . 1 . 2]" 1
464 1 31 ASP HA 1 32 LEU HA . . 4.790 4.709 4.670 4.778 . 0 0 "[ . 1 . 2]" 1
465 1 31 ASP HA 1 34 GLU H . . 4.170 3.984 3.619 4.174 0.004 19 0 "[ . 1 . 2]" 1
466 1 31 ASP HA 1 34 GLU HB2 . . 3.670 3.377 3.001 4.645 0.975 16 1 "[ . 1 .+ 2]" 1
467 1 31 ASP HA 1 78 ILE MG . . 4.500 4.181 3.899 4.457 . 0 0 "[ . 1 . 2]" 1
468 1 31 ASP QB 1 32 LEU H . . 3.850 2.756 2.370 3.254 . 0 0 "[ . 1 . 2]" 1
469 1 31 ASP QB 1 32 LEU HA . . 4.490 3.849 3.733 4.128 . 0 0 "[ . 1 . 2]" 1
470 1 31 ASP QB 1 78 ILE MG . . 3.470 2.193 1.926 2.397 . 0 0 "[ . 1 . 2]" 1
471 1 31 ASP QB 1 79 ALA MB . . 4.080 2.536 2.286 2.763 . 0 0 "[ . 1 . 2]" 1
472 1 32 LEU H 1 32 LEU HB2 . . 3.410 2.191 2.082 2.393 . 0 0 "[ . 1 . 2]" 1
473 1 32 LEU H 1 32 LEU HB3 . . 3.590 3.457 3.318 3.538 . 0 0 "[ . 1 . 2]" 1
474 1 32 LEU H 1 32 LEU QD . . 3.730 3.175 1.849 3.442 . 0 0 "[ . 1 . 2]" 1
475 1 32 LEU H 1 32 LEU HG . . 3.500 3.242 2.846 3.893 0.393 16 0 "[ . 1 . 2]" 1
476 1 32 LEU H 1 33 VAL H . . 3.440 2.378 2.234 2.694 . 0 0 "[ . 1 . 2]" 1
477 1 32 LEU H 1 33 VAL MG2 . . 3.970 3.792 3.566 4.036 0.066 16 0 "[ . 1 . 2]" 1
478 1 32 LEU H 1 78 ILE MG . . 4.910 3.760 3.285 4.086 . 0 0 "[ . 1 . 2]" 1
479 1 32 LEU HA 1 32 LEU QD . . 2.970 2.482 1.903 2.672 . 0 0 "[ . 1 . 2]" 1
480 1 32 LEU HA 1 32 LEU HG . . 3.680 2.456 2.295 3.059 . 0 0 "[ . 1 . 2]" 1
481 1 32 LEU HA 1 35 ALA H . . 3.840 3.269 3.163 3.365 . 0 0 "[ . 1 . 2]" 1
482 1 32 LEU HA 1 35 ALA MB . . 3.450 2.195 1.923 2.514 . 0 0 "[ . 1 . 2]" 1
483 1 32 LEU HA 1 36 LEU MD1 . . 3.940 3.195 2.734 3.438 . 0 0 "[ . 1 . 2]" 1
484 1 32 LEU HA 1 36 LEU HG . . 4.590 3.536 3.289 3.779 . 0 0 "[ . 1 . 2]" 1
485 1 32 LEU HA 1 78 ILE MD . . 3.440 1.956 1.906 2.067 . 0 0 "[ . 1 . 2]" 1
486 1 32 LEU HA 1 78 ILE MG . . 3.750 2.820 2.232 3.238 . 0 0 "[ . 1 . 2]" 1
487 1 32 LEU HB2 1 32 LEU QD . . 3.130 2.046 1.910 2.191 . 0 0 "[ . 1 . 2]" 1
488 1 32 LEU HB2 1 33 VAL H . . 3.850 2.802 2.437 2.998 . 0 0 "[ . 1 . 2]" 1
489 1 32 LEU HB2 1 33 VAL MG2 . . 4.110 3.540 3.200 3.921 . 0 0 "[ . 1 . 2]" 1
490 1 32 LEU HB3 1 32 LEU QD . . 3.090 2.104 1.998 2.586 . 0 0 "[ . 1 . 2]" 1
491 1 32 LEU HB3 1 33 VAL H . . 3.960 3.388 3.169 3.598 . 0 0 "[ . 1 . 2]" 1
492 1 32 LEU HB3 1 33 VAL MG2 . . 4.280 3.866 3.715 4.061 . 0 0 "[ . 1 . 2]" 1
493 1 32 LEU HB3 1 35 ALA H . . 4.860 4.767 4.684 4.966 0.106 16 0 "[ . 1 . 2]" 1
494 1 32 LEU HB3 1 36 LEU MD1 . . 3.710 1.872 1.740 1.926 . 0 0 "[ . 1 . 2]" 1
495 1 32 LEU HB3 1 36 LEU MD2 . . 4.350 4.041 3.780 4.433 0.083 14 0 "[ . 1 . 2]" 1
496 1 32 LEU HB3 1 45 VAL QG . . 3.990 3.287 3.082 3.990 0.000 11 0 "[ . 1 . 2]" 1
497 1 32 LEU QD 1 35 ALA MB . . 3.530 3.224 3.062 3.456 . 0 0 "[ . 1 . 2]" 1
498 1 32 LEU QD 1 36 LEU MD1 . . 3.340 2.225 1.845 3.208 . 0 0 "[ . 1 . 2]" 1
499 1 32 LEU QD 1 47 MET ME . . 3.410 2.054 1.755 2.535 . 0 0 "[ . 1 . 2]" 1
500 1 32 LEU QD 1 54 ALA MB . . 2.660 2.225 1.860 2.438 . 0 0 "[ . 1 . 2]" 1
501 1 32 LEU HG 1 33 VAL H . . 5.250 4.847 4.703 5.107 . 0 0 "[ . 1 . 2]" 1
502 1 32 LEU HG 1 36 LEU MD1 . . 4.160 4.026 2.954 4.193 0.033 19 0 "[ . 1 . 2]" 1
503 1 32 LEU HG 1 78 ILE MD . . 2.920 2.545 2.070 2.929 0.009 5 0 "[ . 1 . 2]" 1
504 1 32 LEU HG 1 78 ILE MG . . 3.340 2.048 1.768 3.388 0.048 16 0 "[ . 1 . 2]" 1
505 1 33 VAL H 1 33 VAL HB . . 2.950 2.472 2.390 2.541 . 0 0 "[ . 1 . 2]" 1
506 1 33 VAL H 1 33 VAL MG1 . . 3.700 3.699 3.696 3.702 0.002 4 0 "[ . 1 . 2]" 1
507 1 33 VAL H 1 33 VAL MG2 . . 2.900 2.125 1.994 2.238 . 0 0 "[ . 1 . 2]" 1
508 1 33 VAL H 1 45 VAL QG . . 4.900 4.103 3.791 4.579 . 0 0 "[ . 1 . 2]" 1
509 1 33 VAL HA 1 33 VAL MG1 . . 3.190 2.418 2.301 2.501 . 0 0 "[ . 1 . 2]" 1
510 1 33 VAL HA 1 33 VAL MG2 . . 2.810 2.327 2.227 2.405 . 0 0 "[ . 1 . 2]" 1
511 1 33 VAL HA 1 35 ALA H . . 5.500 3.661 3.548 4.159 . 0 0 "[ . 1 . 2]" 1
512 1 33 VAL HA 1 36 LEU H . . 4.400 3.142 2.980 3.497 . 0 0 "[ . 1 . 2]" 1
513 1 33 VAL HA 1 36 LEU HB3 . . 4.730 4.572 4.171 4.757 0.027 11 0 "[ . 1 . 2]" 1
514 1 33 VAL HA 1 37 GLU H . . 4.300 3.305 2.593 4.373 0.073 16 0 "[ . 1 . 2]" 1
515 1 33 VAL HA 1 42 ILE MD . . 3.200 1.972 1.835 2.132 . 0 0 "[ . 1 . 2]" 1
516 1 33 VAL HA 1 42 ILE MG . . 5.330 3.930 3.679 4.177 . 0 0 "[ . 1 . 2]" 1
517 1 33 VAL HB 1 34 GLU H . . 3.120 2.465 2.169 2.657 . 0 0 "[ . 1 . 2]" 1
518 1 33 VAL MG1 1 34 GLU H . . 3.430 3.374 2.963 3.475 0.045 7 0 "[ . 1 . 2]" 1
519 1 33 VAL MG1 1 34 GLU HA . . 3.990 3.477 3.256 3.612 . 0 0 "[ . 1 . 2]" 1
520 1 33 VAL MG1 1 35 ALA H . . 4.840 4.521 4.415 4.855 0.015 16 0 "[ . 1 . 2]" 1
521 1 33 VAL MG1 1 36 LEU H . . 4.860 4.230 3.912 4.458 . 0 0 "[ . 1 . 2]" 1
522 1 33 VAL MG1 1 37 GLU H . . 4.440 3.489 3.058 4.188 . 0 0 "[ . 1 . 2]" 1
523 1 33 VAL MG1 1 37 GLU HB2 . . 3.350 3.312 3.068 3.432 0.082 2 0 "[ . 1 . 2]" 1
524 1 33 VAL MG1 1 37 GLU HB3 . . 2.900 2.119 1.936 2.359 . 0 0 "[ . 1 . 2]" 1
525 1 33 VAL MG1 1 37 GLU HG2 . . 3.620 3.330 2.544 3.679 0.059 4 0 "[ . 1 . 2]" 1
526 1 33 VAL MG1 1 37 GLU HG3 . . 4.350 4.154 3.767 4.514 0.164 9 0 "[ . 1 . 2]" 1
527 1 33 VAL MG1 1 42 ILE H . . 5.500 4.557 4.236 4.916 . 0 0 "[ . 1 . 2]" 1
528 1 33 VAL MG1 1 42 ILE HB . . 3.880 3.247 2.939 3.681 . 0 0 "[ . 1 . 2]" 1
529 1 33 VAL MG1 1 42 ILE MG . . 4.120 3.745 3.514 4.100 . 0 0 "[ . 1 . 2]" 1
530 1 33 VAL MG2 1 42 ILE HB . . 3.990 3.805 3.431 4.024 0.034 20 0 "[ . 1 . 2]" 1
531 1 33 VAL MG2 1 42 ILE MG . . 3.380 3.123 2.761 3.395 0.015 7 0 "[ . 1 . 2]" 1
532 1 33 VAL MG2 1 45 VAL QG . . 2.970 2.623 2.422 2.841 . 0 0 "[ . 1 . 2]" 1
533 1 34 GLU H 1 34 GLU HB2 . . 3.070 2.158 2.067 3.237 0.167 16 0 "[ . 1 . 2]" 1
534 1 34 GLU H 1 34 GLU HB3 . . 3.320 3.333 2.019 3.421 0.101 9 0 "[ . 1 . 2]" 1
535 1 34 GLU H 1 34 GLU HG2 . . 4.480 3.632 3.308 3.992 . 0 0 "[ . 1 . 2]" 1
536 1 34 GLU H 1 34 GLU HG3 . . 3.520 3.271 2.973 4.254 0.734 16 1 "[ . 1 .+ 2]" 1
537 1 34 GLU H 1 35 ALA H . . 3.170 2.651 2.550 2.744 . 0 0 "[ . 1 . 2]" 1
538 1 34 GLU HA 1 34 GLU HB3 . . 2.810 2.764 2.741 2.828 0.018 16 0 "[ . 1 . 2]" 1
539 1 34 GLU HA 1 34 GLU HG2 . . 3.230 2.172 1.992 3.751 0.521 16 1 "[ . 1 .+ 2]" 1
540 1 34 GLU HA 1 35 ALA HA . . 4.650 4.578 4.566 4.626 . 0 0 "[ . 1 . 2]" 1
541 1 34 GLU HA 1 36 LEU H . . 4.690 3.898 3.570 4.606 . 0 0 "[ . 1 . 2]" 1
542 1 34 GLU HA 1 37 GLU H . . 4.790 3.648 3.310 4.146 . 0 0 "[ . 1 . 2]" 1
543 1 34 GLU HA 1 37 GLU HB2 . . 4.850 4.348 4.073 4.653 . 0 0 "[ . 1 . 2]" 1
544 1 34 GLU HA 1 37 GLU HB3 . . 4.730 3.314 2.899 3.810 . 0 0 "[ . 1 . 2]" 1
545 1 34 GLU HA 1 37 GLU HG2 . . 3.040 1.997 1.964 2.051 . 0 0 "[ . 1 . 2]" 1
546 1 34 GLU HA 1 37 GLU HG3 . . 3.550 2.577 2.169 3.455 . 0 0 "[ . 1 . 2]" 1
547 1 34 GLU HB2 1 34 GLU HG3 . . 2.520 2.341 2.264 2.532 0.012 16 0 "[ . 1 . 2]" 1
548 1 34 GLU HB2 1 35 ALA H . . 3.490 3.638 3.517 4.297 0.807 16 1 "[ . 1 .+ 2]" 1
549 1 34 GLU HB3 1 35 ALA H . . 3.970 3.910 3.428 3.997 0.027 1 0 "[ . 1 . 2]" 1
550 1 34 GLU HG2 1 35 ALA H . . 5.290 4.982 2.511 5.298 0.008 18 0 "[ . 1 . 2]" 1
551 1 35 ALA H 1 35 ALA MB . . 2.920 2.307 2.186 2.351 . 0 0 "[ . 1 . 2]" 1
552 1 35 ALA H 1 36 LEU H . . 3.140 2.071 1.955 2.434 . 0 0 "[ . 1 . 2]" 1
553 1 35 ALA H 1 36 LEU MD1 . . 5.070 3.910 3.764 4.215 . 0 0 "[ . 1 . 2]" 1
554 1 35 ALA H 1 36 LEU HG . . 3.610 3.555 3.349 3.654 0.044 12 0 "[ . 1 . 2]" 1
555 1 35 ALA H 1 37 GLU H . . 4.150 3.590 3.444 4.124 . 0 0 "[ . 1 . 2]" 1
556 1 35 ALA H 1 78 ILE MD . . 4.110 3.779 3.445 3.937 . 0 0 "[ . 1 . 2]" 1
557 1 35 ALA HA 1 37 GLU H . . 5.470 4.650 3.852 5.151 . 0 0 "[ . 1 . 2]" 1
558 1 35 ALA HA 1 78 ILE MD . . 4.910 3.888 3.792 4.173 . 0 0 "[ . 1 . 2]" 1
559 1 35 ALA MB 1 36 LEU H . . 3.360 3.151 2.641 3.465 0.105 16 0 "[ . 1 . 2]" 1
560 1 35 ALA MB 1 36 LEU HA . . 4.570 4.160 3.907 4.343 . 0 0 "[ . 1 . 2]" 1
561 1 35 ALA MB 1 36 LEU MD1 . . 3.920 3.559 3.246 3.736 . 0 0 "[ . 1 . 2]" 1
562 1 35 ALA MB 1 36 LEU MD2 . . 3.600 3.533 3.281 3.635 0.035 1 0 "[ . 1 . 2]" 1
563 1 35 ALA MB 1 36 LEU HG . . 3.330 2.713 2.490 2.812 . 0 0 "[ . 1 . 2]" 1
564 1 35 ALA MB 1 37 GLU H . . 4.590 4.737 4.625 4.870 0.280 11 0 "[ . 1 . 2]" 1
565 1 35 ALA MB 1 76 VAL QG . . 3.210 2.953 2.652 3.311 0.101 7 0 "[ . 1 . 2]" 1
566 1 35 ALA MB 1 78 ILE HA . . 2.990 2.959 2.553 3.049 0.059 3 0 "[ . 1 . 2]" 1
567 1 35 ALA MB 1 78 ILE MD . . 2.980 1.659 1.614 1.719 . 0 0 "[ . 1 . 2]" 1
568 1 35 ALA MB 1 78 ILE HG12 . . 3.520 3.495 2.925 3.631 0.111 5 0 "[ . 1 . 2]" 1
569 1 35 ALA MB 1 78 ILE HG13 . . 3.990 3.926 3.824 4.049 0.059 13 0 "[ . 1 . 2]" 1
570 1 35 ALA MB 1 78 ILE MG . . 3.580 3.280 3.043 3.619 0.039 7 0 "[ . 1 . 2]" 1
571 1 35 ALA MB 1 79 ALA MB . . 5.280 5.222 5.043 5.332 0.052 7 0 "[ . 1 . 2]" 1
572 1 36 LEU H 1 36 LEU HB2 . . 3.260 2.738 2.602 2.946 . 0 0 "[ . 1 . 2]" 1
573 1 36 LEU H 1 36 LEU HB3 . . 3.850 3.766 3.596 3.904 0.054 16 0 "[ . 1 . 2]" 1
574 1 36 LEU H 1 36 LEU MD1 . . 3.880 3.378 2.961 3.904 0.024 16 0 "[ . 1 . 2]" 1
575 1 36 LEU H 1 36 LEU MD2 . . 4.060 4.025 3.674 4.151 0.091 11 0 "[ . 1 . 2]" 1
576 1 36 LEU H 1 36 LEU HG . . 3.430 2.699 2.148 3.018 . 0 0 "[ . 1 . 2]" 1
577 1 36 LEU H 1 37 GLU H . . 3.380 2.016 1.777 2.431 . 0 0 "[ . 1 . 2]" 1
578 1 36 LEU H 1 37 GLU HB3 . . 5.100 3.938 3.611 4.430 . 0 0 "[ . 1 . 2]" 1
579 1 36 LEU H 1 38 LYS H . . 5.500 3.603 3.134 3.900 . 0 0 "[ . 1 . 2]" 1
580 1 36 LEU H 1 42 ILE MD . . 4.070 3.318 3.144 3.485 . 0 0 "[ . 1 . 2]" 1
581 1 36 LEU HA 1 36 LEU MD1 . . 4.470 3.970 3.958 4.002 . 0 0 "[ . 1 . 2]" 1
582 1 36 LEU HA 1 36 LEU MD2 . . 3.030 2.649 2.467 2.784 . 0 0 "[ . 1 . 2]" 1
583 1 36 LEU HA 1 36 LEU HG . . 3.980 2.911 2.862 3.017 . 0 0 "[ . 1 . 2]" 1
584 1 36 LEU HA 1 38 LYS H . . 4.490 3.674 3.523 3.961 . 0 0 "[ . 1 . 2]" 1
585 1 36 LEU HA 1 38 LYS QG . . 4.200 3.295 3.004 4.010 . 0 0 "[ . 1 . 2]" 1
586 1 36 LEU HA 1 39 PHE QD . . 3.840 2.044 1.973 2.355 . 0 0 "[ . 1 . 2]" 1
587 1 36 LEU HA 1 39 PHE QE . . 4.770 2.395 1.975 2.826 . 0 0 "[ . 1 . 2]" 1
588 1 36 LEU HA 1 42 ILE MD . . 4.460 3.981 3.810 4.193 . 0 0 "[ . 1 . 2]" 1
589 1 36 LEU HB2 1 36 LEU MD1 . . 3.200 2.150 1.960 2.216 . 0 0 "[ . 1 . 2]" 1
590 1 36 LEU HB2 1 37 GLU H . . 4.050 3.023 2.483 4.096 0.046 16 0 "[ . 1 . 2]" 1
591 1 36 LEU HB2 1 39 PHE QD . . 3.960 3.960 3.822 4.030 0.070 16 0 "[ . 1 . 2]" 1
592 1 36 LEU HB2 1 42 ILE MD . . 3.050 1.883 1.771 1.972 . 0 0 "[ . 1 . 2]" 1
593 1 36 LEU HB2 1 56 VAL QG . . 3.090 2.986 2.639 3.129 0.039 11 0 "[ . 1 . 2]" 1
594 1 36 LEU HB2 1 58 PHE HZ . . 3.650 3.698 3.654 3.728 0.078 20 0 "[ . 1 . 2]" 1
595 1 36 LEU HB3 1 36 LEU MD1 . . 2.980 2.704 2.604 2.755 . 0 0 "[ . 1 . 2]" 1
596 1 36 LEU HB3 1 36 LEU MD2 . . 3.140 2.063 1.989 2.191 . 0 0 "[ . 1 . 2]" 1
597 1 36 LEU HB3 1 37 GLU H . . 4.870 4.065 3.739 4.618 . 0 0 "[ . 1 . 2]" 1
598 1 36 LEU HB3 1 39 PHE QD . . 4.100 2.624 2.500 2.735 . 0 0 "[ . 1 . 2]" 1
599 1 36 LEU HB3 1 42 ILE MD . . 3.560 2.976 2.755 3.164 . 0 0 "[ . 1 . 2]" 1
600 1 36 LEU HB3 1 56 VAL QG . . 3.690 2.694 2.568 3.049 . 0 0 "[ . 1 . 2]" 1
601 1 36 LEU HB3 1 58 PHE QE . . 4.160 2.761 2.481 3.087 . 0 0 "[ . 1 . 2]" 1
602 1 36 LEU HB3 1 58 PHE HZ . . 3.500 1.971 1.949 1.997 . 0 0 "[ . 1 . 2]" 1
603 1 36 LEU MD1 1 42 ILE MG . . 3.620 3.406 3.219 3.696 0.076 16 0 "[ . 1 . 2]" 1
604 1 36 LEU MD1 1 56 VAL HB . . 3.490 3.155 2.256 3.406 . 0 0 "[ . 1 . 2]" 1
605 1 36 LEU MD1 1 56 VAL QG . . 2.800 1.571 1.511 1.632 . 0 0 "[ . 1 . 2]" 1
606 1 36 LEU MD1 1 85 PHE QE . . 3.300 3.197 2.829 3.381 0.081 15 0 "[ . 1 . 2]" 1
607 1 36 LEU MD2 1 39 PHE QD . . 3.410 3.010 2.508 3.330 . 0 0 "[ . 1 . 2]" 1
608 1 36 LEU MD2 1 39 PHE QE . . 3.030 2.411 1.839 2.769 . 0 0 "[ . 1 . 2]" 1
609 1 36 LEU MD2 1 39 PHE HZ . . 4.650 4.319 3.430 4.660 0.010 9 0 "[ . 1 . 2]" 1
610 1 36 LEU MD2 1 56 VAL QG . . 3.350 2.245 1.842 2.917 . 0 0 "[ . 1 . 2]" 1
611 1 36 LEU MD2 1 58 PHE HZ . . 3.460 2.131 1.936 2.505 . 0 0 "[ . 1 . 2]" 1
612 1 36 LEU MD2 1 85 PHE QE . . 3.200 1.918 1.755 2.234 . 0 0 "[ . 1 . 2]" 1
613 1 36 LEU MD2 1 85 PHE HZ . . 3.060 2.635 2.164 3.046 . 0 0 "[ . 1 . 2]" 1
614 1 36 LEU HG 1 58 PHE HZ . . 4.970 4.432 4.219 4.688 . 0 0 "[ . 1 . 2]" 1
615 1 36 LEU HG 1 78 ILE MD . . 4.020 3.281 2.973 3.633 . 0 0 "[ . 1 . 2]" 1
616 1 37 GLU H 1 37 GLU HB2 . . 3.490 3.541 3.472 3.695 0.205 16 0 "[ . 1 . 2]" 1
617 1 37 GLU H 1 37 GLU HB3 . . 3.500 2.373 2.186 2.899 . 0 0 "[ . 1 . 2]" 1
618 1 37 GLU H 1 37 GLU HG2 . . 3.790 3.390 2.559 3.632 . 0 0 "[ . 1 . 2]" 1
619 1 37 GLU H 1 37 GLU HG3 . . 3.630 2.628 1.923 3.687 0.057 3 0 "[ . 1 . 2]" 1
620 1 37 GLU H 1 38 LYS H . . 3.850 2.669 1.990 2.943 . 0 0 "[ . 1 . 2]" 1
621 1 37 GLU H 1 42 ILE MD . . 4.160 2.587 2.084 3.601 . 0 0 "[ . 1 . 2]" 1
622 1 37 GLU HA 1 39 PHE H . . 4.450 3.555 3.349 3.779 . 0 0 "[ . 1 . 2]" 1
623 1 37 GLU HA 1 42 ILE MD . . 3.670 2.455 2.289 2.649 . 0 0 "[ . 1 . 2]" 1
624 1 37 GLU HA 1 42 ILE HG13 . . 4.520 3.660 3.357 3.902 . 0 0 "[ . 1 . 2]" 1
625 1 37 GLU HB2 1 38 LYS H . . 4.600 4.195 4.025 4.295 . 0 0 "[ . 1 . 2]" 1
626 1 37 GLU HB2 1 42 ILE MD . . 3.620 3.586 3.303 3.696 0.076 16 0 "[ . 1 . 2]" 1
627 1 37 GLU HB3 1 37 GLU HG2 . . 2.480 2.348 2.286 2.474 . 0 0 "[ . 1 . 2]" 1
628 1 37 GLU HB3 1 38 LYS H . . 4.500 4.023 3.887 4.209 . 0 0 "[ . 1 . 2]" 1
629 1 37 GLU HB3 1 42 ILE MD . . 3.140 2.771 2.513 2.971 . 0 0 "[ . 1 . 2]" 1
630 1 37 GLU HG2 1 38 LYS H . . 4.290 3.830 2.372 4.317 0.027 17 0 "[ . 1 . 2]" 1
631 1 37 GLU HG2 1 42 ILE MD . . 4.990 4.616 4.085 4.885 . 0 0 "[ . 1 . 2]" 1
632 1 37 GLU HG3 1 38 LYS H . . 4.560 2.312 1.985 2.685 . 0 0 "[ . 1 . 2]" 1
633 1 37 GLU HG3 1 42 ILE MD . . 4.660 4.482 4.168 4.687 0.027 9 0 "[ . 1 . 2]" 1
634 1 38 LYS H 1 38 LYS QB . . 3.290 2.311 2.180 2.491 . 0 0 "[ . 1 . 2]" 1
635 1 38 LYS H 1 38 LYS QD . . 4.580 3.872 1.975 4.403 . 0 0 "[ . 1 . 2]" 1
636 1 38 LYS H 1 38 LYS QG . . 3.400 2.493 2.248 2.771 . 0 0 "[ . 1 . 2]" 1
637 1 38 LYS H 1 39 PHE H . . 3.110 2.647 2.388 2.845 . 0 0 "[ . 1 . 2]" 1
638 1 38 LYS HA 1 38 LYS QD . . 4.440 3.777 3.369 4.287 . 0 0 "[ . 1 . 2]" 1
639 1 38 LYS HA 1 38 LYS QG . . 3.970 3.384 3.326 3.451 . 0 0 "[ . 1 . 2]" 1
640 1 38 LYS QB 1 38 LYS QD . . 3.150 2.080 1.956 2.239 . 0 0 "[ . 1 . 2]" 1
641 1 38 LYS QB 1 38 LYS HE2 . . 3.860 3.707 3.231 4.306 0.446 5 0 "[ . 1 . 2]" 1
642 1 38 LYS QB 1 39 PHE H . . 4.290 3.728 3.678 3.827 . 0 0 "[ . 1 . 2]" 1
643 1 38 LYS QD 1 39 PHE H . . 5.500 3.636 3.090 4.601 . 0 0 "[ . 1 . 2]" 1
644 1 38 LYS QD 1 39 PHE QD . . 3.680 3.062 2.266 3.728 0.048 15 0 "[ . 1 . 2]" 1
645 1 38 LYS QD 1 39 PHE QE . . 4.390 3.030 2.471 3.430 . 0 0 "[ . 1 . 2]" 1
646 1 38 LYS QD 1 39 PHE HZ . . 4.490 3.958 3.190 4.498 0.008 11 0 "[ . 1 . 2]" 1
647 1 38 LYS HE2 1 39 PHE QD . . 5.110 4.331 2.340 5.003 . 0 0 "[ . 1 . 2]" 1
648 1 38 LYS HE2 1 39 PHE QE . . 4.530 3.415 2.222 4.178 . 0 0 "[ . 1 . 2]" 1
649 1 38 LYS HE2 1 39 PHE HZ . . 4.660 3.835 2.791 4.650 . 0 0 "[ . 1 . 2]" 1
650 1 38 LYS HE3 1 39 PHE QD . . 4.710 4.045 2.129 5.111 0.401 7 0 "[ . 1 . 2]" 1
651 1 38 LYS HE3 1 39 PHE QE . . 4.340 3.307 2.692 4.086 . 0 0 "[ . 1 . 2]" 1
652 1 38 LYS HE3 1 39 PHE HZ . . 4.800 4.038 2.410 4.777 . 0 0 "[ . 1 . 2]" 1
653 1 38 LYS QG 1 39 PHE H . . 4.070 2.317 2.084 2.551 . 0 0 "[ . 1 . 2]" 1
654 1 38 LYS QG 1 39 PHE HA . . 5.300 3.592 3.311 3.816 . 0 0 "[ . 1 . 2]" 1
655 1 38 LYS QG 1 39 PHE QD . . 4.060 3.221 3.063 3.424 . 0 0 "[ . 1 . 2]" 1
656 1 39 PHE H 1 39 PHE HB2 . . 3.600 2.303 2.224 2.413 . 0 0 "[ . 1 . 2]" 1
657 1 39 PHE H 1 39 PHE HB3 . . 3.980 3.485 3.461 3.530 . 0 0 "[ . 1 . 2]" 1
658 1 39 PHE H 1 39 PHE QD . . 4.060 2.946 2.844 3.070 . 0 0 "[ . 1 . 2]" 1
659 1 39 PHE H 1 40 GLY H . . 3.280 2.683 2.459 2.797 . 0 0 "[ . 1 . 2]" 1
660 1 39 PHE H 1 58 PHE QE . . 3.880 3.807 3.584 3.951 0.071 16 0 "[ . 1 . 2]" 1
661 1 39 PHE H 1 58 PHE HZ . . 5.150 4.867 4.604 5.101 . 0 0 "[ . 1 . 2]" 1
662 1 39 PHE HA 1 39 PHE QD . . 3.570 2.344 2.202 2.426 . 0 0 "[ . 1 . 2]" 1
663 1 39 PHE HA 1 66 GLU QG . . 4.530 4.062 3.454 4.567 0.037 6 0 "[ . 1 . 2]" 1
664 1 39 PHE HB2 1 40 GLY H . . 4.510 1.985 1.918 2.098 . 0 0 "[ . 1 . 2]" 1
665 1 39 PHE HB2 1 58 PHE QE . . 3.460 2.196 2.115 2.271 . 0 0 "[ . 1 . 2]" 1
666 1 39 PHE HB2 1 58 PHE HZ . . 4.720 3.500 3.278 3.780 . 0 0 "[ . 1 . 2]" 1
667 1 39 PHE HB2 1 67 CYS QB . . 4.420 4.154 3.969 4.293 . 0 0 "[ . 1 . 2]" 1
668 1 39 PHE HB3 1 40 GLY H . . 4.700 3.065 2.866 3.214 . 0 0 "[ . 1 . 2]" 1
669 1 39 PHE HB3 1 58 PHE QE . . 3.460 3.485 3.429 3.523 0.063 11 0 "[ . 1 . 2]" 1
670 1 39 PHE HB3 1 66 GLU HB3 . . 4.360 3.161 2.766 3.933 . 0 0 "[ . 1 . 2]" 1
671 1 39 PHE HB3 1 67 CYS H . . 4.390 4.203 3.906 4.439 0.049 18 0 "[ . 1 . 2]" 1
672 1 39 PHE HB3 1 67 CYS QB . . 4.310 3.996 3.711 4.192 . 0 0 "[ . 1 . 2]" 1
673 1 39 PHE QD 1 40 GLY H . . 3.930 3.850 3.728 3.959 0.029 17 0 "[ . 1 . 2]" 1
674 1 39 PHE QD 1 58 PHE HZ . . 2.950 2.068 1.966 2.342 . 0 0 "[ . 1 . 2]" 1
675 1 39 PHE QD 1 66 GLU HB3 . . 3.490 3.357 2.964 3.542 0.052 10 0 "[ . 1 . 2]" 1
676 1 39 PHE QD 1 66 GLU QG . . 3.400 2.871 2.505 3.413 0.013 4 0 "[ . 1 . 2]" 1
677 1 39 PHE QD 1 67 CYS QB . . 3.300 3.106 2.905 3.258 . 0 0 "[ . 1 . 2]" 1
678 1 39 PHE QE 1 66 GLU QG . . 4.080 3.897 3.458 4.113 0.033 6 0 "[ . 1 . 2]" 1
679 1 39 PHE QE 1 67 CYS HA . . 4.260 2.752 2.517 2.951 . 0 0 "[ . 1 . 2]" 1
680 1 39 PHE QE 1 70 PHE H . . 5.160 4.455 4.194 4.894 . 0 0 "[ . 1 . 2]" 1
681 1 39 PHE QE 1 70 PHE HB2 . . 4.030 2.797 2.399 2.995 . 0 0 "[ . 1 . 2]" 1
682 1 39 PHE QE 1 70 PHE HB3 . . 4.100 2.414 2.042 2.977 . 0 0 "[ . 1 . 2]" 1
683 1 39 PHE QE 1 70 PHE QD . . 4.660 2.747 2.548 2.888 . 0 0 "[ . 1 . 2]" 1
684 1 39 PHE QE 1 76 VAL QG . . 3.960 3.496 3.275 3.839 . 0 0 "[ . 1 . 2]" 1
685 1 39 PHE HZ 1 67 CYS HA . . 4.670 2.874 2.641 3.257 . 0 0 "[ . 1 . 2]" 1
686 1 39 PHE HZ 1 70 PHE HB2 . . 4.710 4.556 4.020 4.746 0.036 19 0 "[ . 1 . 2]" 1
687 1 39 PHE HZ 1 70 PHE HB3 . . 4.610 3.212 2.810 3.505 . 0 0 "[ . 1 . 2]" 1
688 1 39 PHE HZ 1 70 PHE QD . . 3.810 2.612 2.147 3.058 . 0 0 "[ . 1 . 2]" 1
689 1 39 PHE HZ 1 76 VAL QG . . 4.010 2.863 2.670 3.060 . 0 0 "[ . 1 . 2]" 1
690 1 40 GLY H 1 41 THR H . . 4.540 3.969 3.706 4.219 . 0 0 "[ . 1 . 2]" 1
691 1 40 GLY H 1 58 PHE QE . . 3.870 2.797 2.560 3.115 . 0 0 "[ . 1 . 2]" 1
692 1 40 GLY HA2 1 41 THR H . . 3.450 3.161 2.968 3.312 . 0 0 "[ . 1 . 2]" 1
693 1 40 GLY HA2 1 41 THR HA . . 5.120 4.446 4.383 4.528 . 0 0 "[ . 1 . 2]" 1
694 1 40 GLY HA3 1 41 THR H . . 3.600 2.239 2.199 2.330 . 0 0 "[ . 1 . 2]" 1
695 1 41 THR H 1 41 THR HB . . 3.010 2.290 2.150 2.419 . 0 0 "[ . 1 . 2]" 1
696 1 41 THR H 1 41 THR MG . . 4.370 3.694 3.615 3.751 . 0 0 "[ . 1 . 2]" 1
697 1 41 THR H 1 42 ILE H . . 4.870 4.572 4.475 4.627 . 0 0 "[ . 1 . 2]" 1
698 1 41 THR H 1 58 PHE QD . . 4.850 3.790 3.430 4.218 . 0 0 "[ . 1 . 2]" 1
699 1 41 THR H 1 59 GLU H . . 3.890 3.858 3.556 3.932 0.042 15 0 "[ . 1 . 2]" 1
700 1 41 THR H 1 59 GLU HB2 . . 5.500 3.797 3.383 5.106 . 0 0 "[ . 1 . 2]" 1
701 1 41 THR H 1 59 GLU HB3 . . 5.360 3.527 3.101 4.177 . 0 0 "[ . 1 . 2]" 1
702 1 41 THR HA 1 41 THR HB . . 3.030 3.053 3.037 3.064 0.034 20 0 "[ . 1 . 2]" 1
703 1 41 THR HA 1 41 THR MG . . 3.170 2.472 2.368 2.598 . 0 0 "[ . 1 . 2]" 1
704 1 41 THR HA 1 42 ILE H . . 3.060 2.264 2.202 2.323 . 0 0 "[ . 1 . 2]" 1
705 1 41 THR HA 1 42 ILE HG13 . . 5.100 3.835 3.734 3.957 . 0 0 "[ . 1 . 2]" 1
706 1 41 THR HB 1 59 GLU H . . 3.660 3.634 3.562 3.690 0.030 5 0 "[ . 1 . 2]" 1
707 1 41 THR HB 1 59 GLU HB2 . . 3.420 2.219 1.991 3.520 0.100 13 0 "[ . 1 . 2]" 1
708 1 41 THR HB 1 59 GLU HB3 . . 3.490 2.672 2.306 3.061 . 0 0 "[ . 1 . 2]" 1
709 1 41 THR HB 1 59 GLU QG . . 3.520 3.101 2.248 3.461 . 0 0 "[ . 1 . 2]" 1
710 1 41 THR MG 1 42 ILE H . . 3.390 2.191 1.969 2.488 . 0 0 "[ . 1 . 2]" 1
711 1 41 THR MG 1 42 ILE HA . . 5.500 3.788 3.504 3.998 . 0 0 "[ . 1 . 2]" 1
712 1 41 THR MG 1 43 CYS HA . . 3.780 3.676 3.522 3.833 0.053 12 0 "[ . 1 . 2]" 1
713 1 41 THR MG 1 59 GLU H . . 4.740 3.488 3.144 3.693 . 0 0 "[ . 1 . 2]" 1
714 1 41 THR MG 1 59 GLU HB2 . . 3.600 2.140 1.954 3.429 . 0 0 "[ . 1 . 2]" 1
715 1 41 THR MG 1 59 GLU HB3 . . 3.390 3.426 1.966 3.611 0.221 16 0 "[ . 1 . 2]" 1
716 1 41 THR MG 1 59 GLU QG . . 3.340 2.958 2.490 3.309 . 0 0 "[ . 1 . 2]" 1
717 1 42 ILE H 1 42 ILE HB . . 3.190 2.415 2.338 2.509 . 0 0 "[ . 1 . 2]" 1
718 1 42 ILE H 1 42 ILE MD . . 4.090 3.293 3.070 3.563 . 0 0 "[ . 1 . 2]" 1
719 1 42 ILE H 1 42 ILE HG12 . . 4.570 4.324 4.185 4.449 . 0 0 "[ . 1 . 2]" 1
720 1 42 ILE H 1 42 ILE HG13 . . 3.790 3.084 2.910 3.248 . 0 0 "[ . 1 . 2]" 1
721 1 42 ILE H 1 58 PHE QD . . 5.370 4.961 4.743 5.254 . 0 0 "[ . 1 . 2]" 1
722 1 42 ILE HA 1 42 ILE MD . . 4.170 3.781 3.751 3.801 . 0 0 "[ . 1 . 2]" 1
723 1 42 ILE HA 1 42 ILE HG12 . . 3.690 2.881 2.749 2.956 . 0 0 "[ . 1 . 2]" 1
724 1 42 ILE HA 1 42 ILE HG13 . . 3.580 2.442 2.384 2.485 . 0 0 "[ . 1 . 2]" 1
725 1 42 ILE HA 1 42 ILE MG . . 3.490 2.512 2.454 2.574 . 0 0 "[ . 1 . 2]" 1
726 1 42 ILE HA 1 43 CYS H . . 3.210 2.182 2.176 2.213 . 0 0 "[ . 1 . 2]" 1
727 1 42 ILE HA 1 44 TYR H . . 4.510 4.394 4.176 4.569 0.059 11 0 "[ . 1 . 2]" 1
728 1 42 ILE HA 1 56 VAL QG . . 4.470 3.724 3.499 3.818 . 0 0 "[ . 1 . 2]" 1
729 1 42 ILE HA 1 58 PHE HA . . 3.520 2.028 1.973 2.134 . 0 0 "[ . 1 . 2]" 1
730 1 42 ILE HA 1 58 PHE QD . . 4.360 3.390 3.163 3.635 . 0 0 "[ . 1 . 2]" 1
731 1 42 ILE HA 1 59 GLU H . . 4.440 3.002 2.839 3.231 . 0 0 "[ . 1 . 2]" 1
732 1 42 ILE HB 1 42 ILE MD . . 3.250 2.067 1.993 2.157 . 0 0 "[ . 1 . 2]" 1
733 1 42 ILE HB 1 43 CYS H . . 5.500 4.460 4.293 4.556 . 0 0 "[ . 1 . 2]" 1
734 1 42 ILE MD 1 42 ILE MG . . 2.460 2.476 2.411 2.509 0.049 16 0 "[ . 1 . 2]" 1
735 1 42 ILE MD 1 56 VAL QG . . 3.410 3.061 2.674 3.376 . 0 0 "[ . 1 . 2]" 1
736 1 42 ILE MD 1 58 PHE QE . . 3.500 3.524 3.497 3.565 0.065 5 0 "[ . 1 . 2]" 1
737 1 42 ILE MD 1 58 PHE HZ . . 5.140 4.398 4.056 4.649 . 0 0 "[ . 1 . 2]" 1
738 1 42 ILE HG12 1 42 ILE MG . . 3.450 2.245 2.222 2.281 . 0 0 "[ . 1 . 2]" 1
739 1 42 ILE HG12 1 43 CYS H . . 5.150 4.663 4.499 4.843 . 0 0 "[ . 1 . 2]" 1
740 1 42 ILE HG12 1 56 VAL QG . . 3.750 2.261 2.014 2.462 . 0 0 "[ . 1 . 2]" 1
741 1 42 ILE HG12 1 58 PHE QD . . 3.910 3.883 3.744 3.954 0.044 10 0 "[ . 1 . 2]" 1
742 1 42 ILE HG12 1 58 PHE QE . . 4.770 3.601 3.400 3.740 . 0 0 "[ . 1 . 2]" 1
743 1 42 ILE HG13 1 42 ILE MG . . 3.550 3.141 3.114 3.183 . 0 0 "[ . 1 . 2]" 1
744 1 42 ILE HG13 1 56 VAL QG . . 4.540 3.567 3.317 3.727 . 0 0 "[ . 1 . 2]" 1
745 1 42 ILE HG13 1 58 PHE QD . . 3.710 3.129 2.980 3.267 . 0 0 "[ . 1 . 2]" 1
746 1 42 ILE HG13 1 58 PHE QE . . 4.110 3.124 2.958 3.336 . 0 0 "[ . 1 . 2]" 1
747 1 42 ILE MG 1 43 CYS H . . 3.290 2.972 2.616 3.166 . 0 0 "[ . 1 . 2]" 1
748 1 42 ILE MG 1 43 CYS HA . . 4.240 4.148 3.951 4.288 0.049 16 0 "[ . 1 . 2]" 1
749 1 42 ILE MG 1 43 CYS HB2 . . 5.400 4.626 4.467 4.787 . 0 0 "[ . 1 . 2]" 1
750 1 42 ILE MG 1 43 CYS HB3 . . 5.070 4.512 4.346 4.646 . 0 0 "[ . 1 . 2]" 1
751 1 42 ILE MG 1 44 TYR H . . 3.390 3.025 2.857 3.262 . 0 0 "[ . 1 . 2]" 1
752 1 42 ILE MG 1 44 TYR HA . . 5.500 3.341 3.197 3.502 . 0 0 "[ . 1 . 2]" 1
753 1 42 ILE MG 1 45 VAL H . . 4.850 4.251 4.095 4.437 . 0 0 "[ . 1 . 2]" 1
754 1 42 ILE MG 1 45 VAL QG . . 2.690 1.846 1.717 2.029 . 0 0 "[ . 1 . 2]" 1
755 1 42 ILE MG 1 56 VAL QG . . 2.880 2.215 1.912 2.366 . 0 0 "[ . 1 . 2]" 1
756 1 42 ILE MG 1 57 GLU H . . 3.630 3.560 3.454 3.643 0.013 4 0 "[ . 1 . 2]" 1
757 1 42 ILE MG 1 58 PHE HA . . 4.440 3.404 3.313 3.529 . 0 0 "[ . 1 . 2]" 1
758 1 42 ILE MG 1 59 GLU H . . 5.500 4.931 4.762 5.129 . 0 0 "[ . 1 . 2]" 1
759 1 43 CYS H 1 43 CYS HB2 . . 3.630 2.177 2.084 2.385 . 0 0 "[ . 1 . 2]" 1
760 1 43 CYS H 1 43 CYS HB3 . . 4.070 2.935 2.690 3.066 . 0 0 "[ . 1 . 2]" 1
761 1 43 CYS H 1 44 TYR H . . 3.340 2.822 2.607 3.046 . 0 0 "[ . 1 . 2]" 1
762 1 43 CYS H 1 57 GLU QG . . 5.070 3.757 3.273 3.885 . 0 0 "[ . 1 . 2]" 1
763 1 43 CYS H 1 58 PHE HA . . 4.040 2.346 2.183 2.611 . 0 0 "[ . 1 . 2]" 1
764 1 43 CYS H 1 59 GLU H . . 4.700 3.125 2.823 3.602 . 0 0 "[ . 1 . 2]" 1
765 1 43 CYS HB2 1 44 TYR H . . 3.990 3.268 3.077 3.523 . 0 0 "[ . 1 . 2]" 1
766 1 43 CYS HB2 1 57 GLU HB3 . . 4.710 4.085 3.880 4.420 . 0 0 "[ . 1 . 2]" 1
767 1 43 CYS HB2 1 57 GLU QG . . 3.840 2.698 2.175 2.927 . 0 0 "[ . 1 . 2]" 1
768 1 43 CYS HB2 1 59 GLU HA . . 4.200 2.587 2.294 2.855 . 0 0 "[ . 1 . 2]" 1
769 1 43 CYS HB2 1 59 GLU QG . . 4.840 4.699 4.445 4.898 0.058 13 0 "[ . 1 . 2]" 1
770 1 43 CYS HB3 1 44 TYR H . . 4.290 2.201 1.978 2.435 . 0 0 "[ . 1 . 2]" 1
771 1 43 CYS HB3 1 57 GLU QG . . 4.080 1.988 1.931 2.102 . 0 0 "[ . 1 . 2]" 1
772 1 43 CYS HB3 1 59 GLU HA . . 4.660 4.275 4.023 4.581 . 0 0 "[ . 1 . 2]" 1
773 1 44 TYR H 1 44 TYR HB3 . . 3.500 2.673 2.596 2.774 . 0 0 "[ . 1 . 2]" 1
774 1 44 TYR H 1 44 TYR QD . . 5.500 4.274 4.197 4.366 . 0 0 "[ . 1 . 2]" 1
775 1 44 TYR H 1 45 VAL H . . 4.460 4.423 4.400 4.445 . 0 0 "[ . 1 . 2]" 1
776 1 44 TYR H 1 45 VAL QG . . 4.630 3.855 3.752 3.976 . 0 0 "[ . 1 . 2]" 1
777 1 44 TYR H 1 56 VAL QG . . 4.660 4.468 4.197 4.533 . 0 0 "[ . 1 . 2]" 1
778 1 44 TYR H 1 57 GLU H . . 3.430 3.045 2.936 3.153 . 0 0 "[ . 1 . 2]" 1
779 1 44 TYR H 1 57 GLU HB2 . . 5.500 3.886 3.730 4.124 . 0 0 "[ . 1 . 2]" 1
780 1 44 TYR H 1 57 GLU HB3 . . 3.900 2.172 2.005 2.454 . 0 0 "[ . 1 . 2]" 1
781 1 44 TYR H 1 57 GLU QG . . 3.940 3.094 2.972 3.204 . 0 0 "[ . 1 . 2]" 1
782 1 44 TYR HA 1 44 TYR QD . . 3.550 3.013 2.492 3.206 . 0 0 "[ . 1 . 2]" 1
783 1 44 TYR HA 1 44 TYR QE . . 5.500 4.776 4.623 4.859 . 0 0 "[ . 1 . 2]" 1
784 1 44 TYR HA 1 45 VAL H . . 2.970 2.487 2.372 2.544 . 0 0 "[ . 1 . 2]" 1
785 1 44 TYR HA 1 45 VAL QG . . 3.400 3.311 3.208 3.382 . 0 0 "[ . 1 . 2]" 1
786 1 44 TYR HA 1 57 GLU HB3 . . 4.760 4.371 4.277 4.485 . 0 0 "[ . 1 . 2]" 1
787 1 44 TYR HB2 1 45 VAL H . . 4.640 3.943 3.864 4.106 . 0 0 "[ . 1 . 2]" 1
788 1 44 TYR HB2 1 57 GLU H . . 5.500 5.083 4.898 5.227 . 0 0 "[ . 1 . 2]" 1
789 1 44 TYR HB2 1 57 GLU HB3 . . 3.940 3.562 3.419 3.720 . 0 0 "[ . 1 . 2]" 1
790 1 44 TYR HB2 1 57 GLU QG . . 4.010 4.027 4.009 4.056 0.046 19 0 "[ . 1 . 2]" 1
791 1 44 TYR HB2 1 93 ILE MD . . 3.690 3.685 3.604 3.766 0.076 11 0 "[ . 1 . 2]" 1
792 1 44 TYR HB3 1 45 VAL H . . 3.930 3.615 3.495 3.811 . 0 0 "[ . 1 . 2]" 1
793 1 44 TYR HB3 1 57 GLU H . . 4.690 3.620 3.385 3.777 . 0 0 "[ . 1 . 2]" 1
794 1 44 TYR HB3 1 57 GLU HB3 . . 3.760 2.227 2.110 2.332 . 0 0 "[ . 1 . 2]" 1
795 1 44 TYR HB3 1 57 GLU QG . . 3.590 3.441 3.350 3.586 . 0 0 "[ . 1 . 2]" 1
796 1 44 TYR HB3 1 93 ILE MD . . 3.610 2.089 2.010 2.162 . 0 0 "[ . 1 . 2]" 1
797 1 44 TYR QD 1 45 VAL H . . 4.180 2.724 2.493 3.032 . 0 0 "[ . 1 . 2]" 1
798 1 44 TYR QD 1 45 VAL HA . . 4.670 3.316 2.917 4.127 . 0 0 "[ . 1 . 2]" 1
799 1 44 TYR QD 1 46 MET H . . 5.230 3.636 3.073 4.558 . 0 0 "[ . 1 . 2]" 1
800 1 44 TYR QD 1 46 MET HB2 . . 4.350 3.190 2.934 3.424 . 0 0 "[ . 1 . 2]" 1
801 1 44 TYR QD 1 57 GLU HB3 . . 4.480 3.807 3.675 3.944 . 0 0 "[ . 1 . 2]" 1
802 1 44 TYR QD 1 93 ILE HB . . 3.820 3.183 2.710 3.677 . 0 0 "[ . 1 . 2]" 1
803 1 44 TYR QD 1 93 ILE MD . . 3.000 1.832 1.771 1.967 . 0 0 "[ . 1 . 2]" 1
804 1 44 TYR QD 1 93 ILE HG12 . . 5.330 4.317 4.080 4.579 . 0 0 "[ . 1 . 2]" 1
805 1 44 TYR QD 1 93 ILE MG . . 3.050 2.426 2.082 2.904 . 0 0 "[ . 1 . 2]" 1
806 1 44 TYR QD 1 95 ARG QD . . 4.650 4.366 3.934 4.487 . 0 0 "[ . 1 . 2]" 1
807 1 44 TYR QE 1 45 VAL H . . 4.430 3.637 3.493 3.935 . 0 0 "[ . 1 . 2]" 1
808 1 44 TYR QE 1 46 MET HB2 . . 4.050 2.533 2.230 3.322 . 0 0 "[ . 1 . 2]" 1
809 1 44 TYR QE 1 46 MET HB3 . . 4.860 4.122 3.789 4.889 0.029 10 0 "[ . 1 . 2]" 1
810 1 44 TYR QE 1 46 MET ME . . 4.340 4.288 4.086 4.353 0.013 15 0 "[ . 1 . 2]" 1
811 1 44 TYR QE 1 46 MET HG2 . . 4.830 4.520 3.852 4.942 0.112 11 0 "[ . 1 . 2]" 1
812 1 44 TYR QE 1 46 MET HG3 . . 4.900 3.643 3.204 4.083 . 0 0 "[ . 1 . 2]" 1
813 1 44 TYR QE 1 93 ILE MD . . 3.360 3.354 3.303 3.378 0.018 10 0 "[ . 1 . 2]" 1
814 1 44 TYR QE 1 93 ILE MG . . 3.530 2.383 2.134 2.859 . 0 0 "[ . 1 . 2]" 1
815 1 44 TYR QE 1 95 ARG QD . . 5.060 3.635 3.418 4.095 . 0 0 "[ . 1 . 2]" 1
816 1 45 VAL H 1 45 VAL HB . . 3.480 2.843 2.652 3.776 0.296 11 0 "[ . 1 . 2]" 1
817 1 45 VAL H 1 45 VAL QG . . 3.480 2.889 2.219 3.028 . 0 0 "[ . 1 . 2]" 1
818 1 45 VAL H 1 46 MET H . . 4.840 4.202 3.976 4.489 . 0 0 "[ . 1 . 2]" 1
819 1 45 VAL HA 1 45 VAL QG . . 3.000 2.111 2.059 2.293 . 0 0 "[ . 1 . 2]" 1
820 1 45 VAL HA 1 46 MET H . . 3.340 2.221 2.182 2.414 . 0 0 "[ . 1 . 2]" 1
821 1 45 VAL HA 1 56 VAL HA . . 3.720 2.384 2.103 2.499 . 0 0 "[ . 1 . 2]" 1
822 1 45 VAL HA 1 56 VAL QG . . 4.040 3.229 2.856 3.387 . 0 0 "[ . 1 . 2]" 1
823 1 45 VAL HA 1 57 GLU H . . 4.620 3.021 2.897 3.239 . 0 0 "[ . 1 . 2]" 1
824 1 45 VAL HA 1 93 ILE MD . . 4.030 2.979 2.749 3.255 . 0 0 "[ . 1 . 2]" 1
825 1 45 VAL HB 1 46 MET H . . 4.610 4.170 2.643 4.499 . 0 0 "[ . 1 . 2]" 1
826 1 45 VAL QG 1 46 MET H . . 3.330 2.620 2.050 3.244 . 0 0 "[ . 1 . 2]" 1
827 1 45 VAL QG 1 47 MET H . . 4.670 4.556 4.285 4.628 . 0 0 "[ . 1 . 2]" 1
828 1 45 VAL QG 1 47 MET ME . . 2.980 2.829 2.578 2.959 . 0 0 "[ . 1 . 2]" 1
829 1 45 VAL QG 1 47 MET HG2 . . 3.600 3.163 2.917 3.577 . 0 0 "[ . 1 . 2]" 1
830 1 45 VAL QG 1 47 MET HG3 . . 4.290 4.058 3.588 4.256 . 0 0 "[ . 1 . 2]" 1
831 1 45 VAL QG 1 56 VAL HA . . 3.450 2.288 2.013 2.818 . 0 0 "[ . 1 . 2]" 1
832 1 45 VAL QG 1 56 VAL QG . . 3.510 1.995 1.679 2.402 . 0 0 "[ . 1 . 2]" 1
833 1 45 VAL QG 1 57 GLU H . . 3.670 3.298 3.083 3.629 . 0 0 "[ . 1 . 2]" 1
834 1 46 MET H 1 46 MET HB2 . . 3.840 2.805 2.543 3.035 . 0 0 "[ . 1 . 2]" 1
835 1 46 MET H 1 46 MET HB3 . . 3.800 2.572 2.409 2.851 . 0 0 "[ . 1 . 2]" 1
836 1 46 MET H 1 46 MET HG2 . . 4.360 4.547 4.385 4.853 0.493 11 0 "[ . 1 . 2]" 1
837 1 46 MET H 1 46 MET HG3 . . 5.500 4.500 4.370 4.842 . 0 0 "[ . 1 . 2]" 1
838 1 46 MET H 1 54 ALA MB . . 4.370 4.236 3.722 4.410 0.040 15 0 "[ . 1 . 2]" 1
839 1 46 MET H 1 55 LEU H . . 3.820 2.699 2.479 2.924 . 0 0 "[ . 1 . 2]" 1
840 1 46 MET H 1 55 LEU HB2 . . 4.230 2.809 2.524 3.316 . 0 0 "[ . 1 . 2]" 1
841 1 46 MET H 1 55 LEU HB3 . . 4.600 4.236 3.986 4.682 0.082 11 0 "[ . 1 . 2]" 1
842 1 46 MET H 1 56 VAL HA . . 4.750 3.697 3.459 3.816 . 0 0 "[ . 1 . 2]" 1
843 1 46 MET H 1 93 ILE MD . . 3.630 2.873 2.548 3.447 . 0 0 "[ . 1 . 2]" 1
844 1 46 MET HB2 1 55 LEU HB2 . . 3.830 2.923 2.234 3.448 . 0 0 "[ . 1 . 2]" 1
845 1 46 MET HB2 1 93 ILE MD . . 3.190 2.445 2.199 2.626 . 0 0 "[ . 1 . 2]" 1
846 1 46 MET HB2 1 93 ILE MG . . 3.300 1.884 1.780 2.018 . 0 0 "[ . 1 . 2]" 1
847 1 46 MET HB3 1 55 LEU H . . 4.150 2.538 2.010 2.970 . 0 0 "[ . 1 . 2]" 1
848 1 46 MET HB3 1 55 LEU HB2 . . 3.580 2.036 1.959 2.192 . 0 0 "[ . 1 . 2]" 1
849 1 46 MET HB3 1 55 LEU HB3 . . 4.020 3.721 3.566 3.924 . 0 0 "[ . 1 . 2]" 1
850 1 46 MET HB3 1 93 ILE MD . . 3.370 3.234 2.942 3.461 0.091 11 0 "[ . 1 . 2]" 1
851 1 46 MET HB3 1 93 ILE MG . . 3.400 2.807 2.437 3.377 . 0 0 "[ . 1 . 2]" 1
852 1 46 MET ME 1 46 MET HG2 . . 3.990 2.463 2.039 3.275 . 0 0 "[ . 1 . 2]" 1
853 1 46 MET ME 1 55 LEU HB3 . . 4.820 4.692 4.481 4.808 . 0 0 "[ . 1 . 2]" 1
854 1 46 MET ME 1 55 LEU MD1 . . 3.100 1.924 1.775 2.118 . 0 0 "[ . 1 . 2]" 1
855 1 46 MET ME 1 55 LEU MD2 . . 4.340 4.236 4.017 4.345 0.005 20 0 "[ . 1 . 2]" 1
856 1 46 MET ME 1 55 LEU HG . . 4.920 4.000 3.780 4.281 . 0 0 "[ . 1 . 2]" 1
857 1 46 MET ME 1 93 ILE MG . . 3.510 1.965 1.790 2.288 . 0 0 "[ . 1 . 2]" 1
858 1 46 MET HG2 1 47 MET H . . 3.970 3.260 2.018 3.785 . 0 0 "[ . 1 . 2]" 1
859 1 46 MET HG2 1 55 LEU MD1 . . 5.500 2.882 2.276 4.242 . 0 0 "[ . 1 . 2]" 1
860 1 46 MET HG2 1 93 ILE MG . . 3.930 3.587 3.411 3.938 0.008 9 0 "[ . 1 . 2]" 1
861 1 46 MET HG3 1 47 MET H . . 3.740 2.567 1.996 3.741 0.001 10 0 "[ . 1 . 2]" 1
862 1 46 MET HG3 1 55 LEU MD1 . . 5.500 3.834 3.542 4.203 . 0 0 "[ . 1 . 2]" 1
863 1 46 MET HG3 1 93 ILE MG . . 3.870 3.576 2.522 3.939 0.069 14 0 "[ . 1 . 2]" 1
864 1 47 MET H 1 47 MET QB . . 3.400 2.411 2.349 2.498 . 0 0 "[ . 1 . 2]" 1
865 1 47 MET H 1 47 MET ME . . 4.710 4.525 4.184 4.696 . 0 0 "[ . 1 . 2]" 1
866 1 47 MET H 1 47 MET HG2 . . 3.440 2.995 2.659 3.196 . 0 0 "[ . 1 . 2]" 1
867 1 47 MET H 1 47 MET HG3 . . 3.950 3.250 3.087 3.447 . 0 0 "[ . 1 . 2]" 1
868 1 47 MET H 1 48 MET H . . 5.010 4.411 4.263 4.535 . 0 0 "[ . 1 . 2]" 1
869 1 47 MET H 1 54 ALA MB . . 5.500 4.739 4.217 5.156 . 0 0 "[ . 1 . 2]" 1
870 1 47 MET HA 1 47 MET HG3 . . 4.000 3.675 3.615 3.806 . 0 0 "[ . 1 . 2]" 1
871 1 47 MET HA 1 48 MET H . . 3.270 2.218 2.202 2.257 . 0 0 "[ . 1 . 2]" 1
872 1 47 MET HA 1 54 ALA HA . . 4.740 2.700 2.429 3.005 . 0 0 "[ . 1 . 2]" 1
873 1 47 MET HA 1 54 ALA MB . . 3.520 2.588 2.097 2.960 . 0 0 "[ . 1 . 2]" 1
874 1 47 MET HA 1 55 LEU H . . 4.190 3.804 3.641 4.092 . 0 0 "[ . 1 . 2]" 1
875 1 47 MET QB 1 47 MET ME . . 3.450 3.164 2.904 3.270 . 0 0 "[ . 1 . 2]" 1
876 1 47 MET QB 1 48 MET H . . 4.430 3.330 3.089 3.577 . 0 0 "[ . 1 . 2]" 1
877 1 47 MET QB 1 49 PRO HD3 . . 3.970 3.771 3.687 3.985 0.015 11 0 "[ . 1 . 2]" 1
878 1 47 MET ME 1 47 MET HG2 . . 3.490 2.022 1.962 2.236 . 0 0 "[ . 1 . 2]" 1
879 1 47 MET ME 1 47 MET HG3 . . 3.220 3.140 3.084 3.232 0.012 4 0 "[ . 1 . 2]" 1
880 1 47 MET ME 1 48 MET H . . 4.210 4.176 4.117 4.216 0.006 11 0 "[ . 1 . 2]" 1
881 1 47 MET ME 1 54 ALA MB . . 3.300 2.216 2.004 2.445 . 0 0 "[ . 1 . 2]" 1
882 1 47 MET HG2 1 48 MET H . . 5.060 4.595 4.479 4.822 . 0 0 "[ . 1 . 2]" 1
883 1 47 MET HG2 1 54 ALA MB . . 5.050 3.332 2.816 4.053 . 0 0 "[ . 1 . 2]" 1
884 1 48 MET H 1 48 MET HB2 . . 3.530 2.416 2.140 2.572 . 0 0 "[ . 1 . 2]" 1
885 1 48 MET H 1 48 MET HB3 . . 3.710 3.595 3.348 3.701 . 0 0 "[ . 1 . 2]" 1
886 1 48 MET H 1 48 MET ME . . 4.540 3.764 3.186 4.249 . 0 0 "[ . 1 . 2]" 1
887 1 48 MET H 1 48 MET HG2 . . 4.780 4.143 3.703 4.734 . 0 0 "[ . 1 . 2]" 1
888 1 48 MET H 1 48 MET HG3 . . 4.220 3.295 2.662 4.049 . 0 0 "[ . 1 . 2]" 1
889 1 48 MET H 1 49 PRO HD2 . . 5.100 4.873 4.833 4.959 . 0 0 "[ . 1 . 2]" 1
890 1 48 MET H 1 49 PRO HD3 . . 4.260 4.071 3.997 4.240 . 0 0 "[ . 1 . 2]" 1
891 1 48 MET H 1 53 GLN H . . 4.770 3.800 3.328 4.232 . 0 0 "[ . 1 . 2]" 1
892 1 48 MET H 1 54 ALA MB . . 4.070 3.267 2.981 3.552 . 0 0 "[ . 1 . 2]" 1
893 1 48 MET H 1 55 LEU H . . 4.930 4.534 4.155 4.897 . 0 0 "[ . 1 . 2]" 1
894 1 48 MET HA 1 48 MET HG2 . . 3.390 2.619 2.234 3.407 0.017 7 0 "[ . 1 . 2]" 1
895 1 48 MET HA 1 48 MET HG3 . . 3.180 2.804 2.026 3.242 0.062 11 0 "[ . 1 . 2]" 1
896 1 48 MET HA 1 49 PRO HD2 . . 3.070 2.222 2.214 2.249 . 0 0 "[ . 1 . 2]" 1
897 1 48 MET HA 1 49 PRO HD3 . . 3.370 2.067 2.016 2.082 . 0 0 "[ . 1 . 2]" 1
898 1 48 MET ME 1 48 MET HG2 . . 3.530 3.122 2.383 3.384 . 0 0 "[ . 1 . 2]" 1
899 1 48 MET ME 1 53 GLN H . . 4.480 4.378 3.912 4.495 0.015 14 0 "[ . 1 . 2]" 1
900 1 48 MET ME 1 53 GLN HB2 . . 3.200 2.477 2.140 3.204 0.004 15 0 "[ . 1 . 2]" 1
901 1 48 MET ME 1 53 GLN HB3 . . 3.720 2.171 1.948 2.604 . 0 0 "[ . 1 . 2]" 1
902 1 48 MET ME 1 53 GLN QG . . 4.540 3.592 1.997 3.970 . 0 0 "[ . 1 . 2]" 1
903 1 48 MET ME 1 54 ALA H . . 4.860 3.054 2.357 3.406 . 0 0 "[ . 1 . 2]" 1
904 1 48 MET ME 1 54 ALA HA . . 3.610 3.008 2.571 3.550 . 0 0 "[ . 1 . 2]" 1
905 1 48 MET ME 1 54 ALA MB . . 4.540 4.168 3.677 4.554 0.014 16 0 "[ . 1 . 2]" 1
906 1 48 MET ME 1 55 LEU H . . 3.810 3.511 3.108 3.768 . 0 0 "[ . 1 . 2]" 1
907 1 48 MET ME 1 55 LEU HB3 . . 4.340 4.352 4.260 4.402 0.062 15 0 "[ . 1 . 2]" 1
908 1 48 MET ME 1 55 LEU MD1 . . 3.700 2.526 2.210 2.960 . 0 0 "[ . 1 . 2]" 1
909 1 48 MET ME 1 55 LEU MD2 . . 3.360 1.855 1.735 2.002 . 0 0 "[ . 1 . 2]" 1
910 1 48 MET ME 1 55 LEU HG . . 3.890 1.971 1.883 2.091 . 0 0 "[ . 1 . 2]" 1
911 1 49 PRO HA 1 52 ARG H . . 4.790 3.475 2.854 4.528 . 0 0 "[ . 1 . 2]" 1
912 1 49 PRO HA 1 52 ARG HA . . 4.350 3.602 2.924 4.393 0.043 20 0 "[ . 1 . 2]" 1
913 1 49 PRO HA 1 53 GLN H . . 4.510 4.018 3.365 4.526 0.016 14 0 "[ . 1 . 2]" 1
914 1 50 PHE H 1 50 PHE QD . . 5.110 3.065 2.131 3.918 . 0 0 "[ . 1 . 2]" 1
915 1 50 PHE HA 1 50 PHE QD . . 4.000 2.772 2.421 3.054 . 0 0 "[ . 1 . 2]" 1
916 1 50 PHE HA 1 50 PHE QE . . 4.610 4.496 4.328 4.602 . 0 0 "[ . 1 . 2]" 1
917 1 50 PHE QB 1 51 LYS H . . 3.280 2.220 1.914 3.287 0.007 20 0 "[ . 1 . 2]" 1
918 1 50 PHE QB 1 51 LYS QG . . 4.330 3.175 2.253 3.821 . 0 0 "[ . 1 . 2]" 1
919 1 51 LYS H 1 51 LYS HB2 . . 3.930 2.763 2.266 3.801 . 0 0 "[ . 1 . 2]" 1
920 1 51 LYS H 1 51 LYS QG . . 4.020 3.173 2.298 3.586 . 0 0 "[ . 1 . 2]" 1
921 1 51 LYS HA 1 51 LYS QG . . 3.690 2.170 2.031 3.243 . 0 0 "[ . 1 . 2]" 1
922 1 51 LYS HB2 1 51 LYS QD . . 3.460 2.847 2.129 3.363 . 0 0 "[ . 1 . 2]" 1
923 1 51 LYS QE 1 51 LYS QG . . 3.210 2.183 1.998 2.436 . 0 0 "[ . 1 . 2]" 1
924 1 52 ARG H 1 52 ARG QD . . 5.030 3.768 2.793 4.454 . 0 0 "[ . 1 . 2]" 1
925 1 52 ARG H 1 52 ARG HG2 . . 4.390 3.593 2.403 4.989 0.599 10 6 "[ -. ***+ . * 2]" 1
926 1 52 ARG H 1 53 GLN H . . 3.840 3.085 2.737 3.571 . 0 0 "[ . 1 . 2]" 1
927 1 52 ARG HA 1 52 ARG QD . . 3.810 2.741 1.955 3.435 . 0 0 "[ . 1 . 2]" 1
928 1 52 ARG HA 1 52 ARG HG2 . . 3.570 2.979 2.312 3.543 . 0 0 "[ . 1 . 2]" 1
929 1 52 ARG HA 1 52 ARG HG3 . . 3.680 3.051 1.995 3.713 0.033 15 0 "[ . 1 . 2]" 1
930 1 52 ARG HA 1 53 GLN H . . 3.520 2.604 2.291 2.857 . 0 0 "[ . 1 . 2]" 1
931 1 52 ARG HB2 1 52 ARG QD . . 3.730 2.894 2.044 3.593 . 0 0 "[ . 1 . 2]" 1
932 1 52 ARG HB3 1 52 ARG QD . . 3.800 2.727 2.058 3.507 . 0 0 "[ . 1 . 2]" 1
933 1 53 GLN H 1 53 GLN HB2 . . 4.130 2.560 2.301 2.780 . 0 0 "[ . 1 . 2]" 1
934 1 53 GLN H 1 53 GLN HB3 . . 3.780 3.642 2.785 3.832 0.052 20 0 "[ . 1 . 2]" 1
935 1 53 GLN H 1 53 GLN QG . . 4.470 3.190 2.602 3.997 . 0 0 "[ . 1 . 2]" 1
936 1 53 GLN H 1 54 ALA H . . 5.250 4.472 4.392 4.558 . 0 0 "[ . 1 . 2]" 1
937 1 53 GLN HA 1 53 GLN QG . . 3.790 2.304 2.140 2.443 . 0 0 "[ . 1 . 2]" 1
938 1 53 GLN HA 1 54 ALA H . . 3.440 2.600 2.515 2.691 . 0 0 "[ . 1 . 2]" 1
939 1 53 GLN HA 1 54 ALA MB . . 4.570 3.719 3.699 3.764 . 0 0 "[ . 1 . 2]" 1
940 1 53 GLN HB2 1 54 ALA H . . 3.590 3.593 3.390 4.015 0.425 15 0 "[ . 1 . 2]" 1
941 1 53 GLN HB3 1 54 ALA H . . 3.420 2.299 2.141 3.270 . 0 0 "[ . 1 . 2]" 1
942 1 53 GLN QG 1 54 ALA H . . 4.740 3.519 1.839 3.855 . 0 0 "[ . 1 . 2]" 1
943 1 54 ALA H 1 54 ALA MB . . 3.090 2.849 2.796 2.894 . 0 0 "[ . 1 . 2]" 1
944 1 54 ALA H 1 55 LEU MD2 . . 4.270 3.897 3.560 4.272 0.002 2 0 "[ . 1 . 2]" 1
945 1 54 ALA HA 1 55 LEU H . . 3.220 2.282 2.232 2.390 . 0 0 "[ . 1 . 2]" 1
946 1 54 ALA MB 1 55 LEU H . . 3.090 2.950 2.666 3.089 . 0 0 "[ . 1 . 2]" 1
947 1 55 LEU H 1 55 LEU HB2 . . 3.670 2.656 2.541 2.773 . 0 0 "[ . 1 . 2]" 1
948 1 55 LEU H 1 55 LEU MD1 . . 4.010 3.582 3.403 3.829 . 0 0 "[ . 1 . 2]" 1
949 1 55 LEU H 1 55 LEU MD2 . . 3.860 3.677 3.470 3.846 . 0 0 "[ . 1 . 2]" 1
950 1 55 LEU H 1 55 LEU HG . . 3.760 2.469 2.297 2.665 . 0 0 "[ . 1 . 2]" 1
951 1 55 LEU HA 1 55 LEU MD1 . . 4.610 3.967 3.921 3.996 . 0 0 "[ . 1 . 2]" 1
952 1 55 LEU HA 1 55 LEU MD2 . . 3.090 2.272 1.981 2.497 . 0 0 "[ . 1 . 2]" 1
953 1 55 LEU HA 1 55 LEU HG . . 4.180 3.108 2.956 3.247 . 0 0 "[ . 1 . 2]" 1
954 1 55 LEU HA 1 56 VAL H . . 3.130 2.277 2.234 2.309 . 0 0 "[ . 1 . 2]" 1
955 1 55 LEU HA 1 56 VAL HB . . 4.770 4.313 4.153 4.362 . 0 0 "[ . 1 . 2]" 1
956 1 55 LEU HB2 1 55 LEU MD1 . . 3.040 2.207 2.030 2.326 . 0 0 "[ . 1 . 2]" 1
957 1 55 LEU HB2 1 55 LEU MD2 . . 3.330 3.190 3.169 3.213 . 0 0 "[ . 1 . 2]" 1
958 1 55 LEU HB2 1 56 VAL H . . 4.360 3.892 3.800 3.992 . 0 0 "[ . 1 . 2]" 1
959 1 55 LEU HB2 1 93 ILE MD . . 2.900 2.613 2.399 2.853 . 0 0 "[ . 1 . 2]" 1
960 1 55 LEU HB2 1 93 ILE MG . . 2.990 2.961 2.721 3.013 0.023 13 0 "[ . 1 . 2]" 1
961 1 55 LEU HB3 1 55 LEU MD1 . . 2.900 2.549 2.418 2.641 . 0 0 "[ . 1 . 2]" 1
962 1 55 LEU HB3 1 55 LEU MD2 . . 2.950 2.261 2.130 2.444 . 0 0 "[ . 1 . 2]" 1
963 1 55 LEU HB3 1 56 VAL H . . 4.140 3.003 2.900 3.156 . 0 0 "[ . 1 . 2]" 1
964 1 55 LEU HB3 1 93 ILE MD . . 3.490 3.071 2.852 3.375 . 0 0 "[ . 1 . 2]" 1
965 1 55 LEU MD1 1 93 ILE HA . . 4.870 3.457 3.150 4.283 . 0 0 "[ . 1 . 2]" 1
966 1 55 LEU MD1 1 93 ILE HG12 . . 3.500 2.914 2.626 3.506 0.006 13 0 "[ . 1 . 2]" 1
967 1 55 LEU MD2 1 56 VAL H . . 3.910 3.753 3.607 3.914 0.004 15 0 "[ . 1 . 2]" 1
968 1 55 LEU MD2 1 88 SER HB2 . . 3.840 2.903 2.348 3.899 0.059 18 0 "[ . 1 . 2]" 1
969 1 55 LEU MD2 1 88 SER HB3 . . 4.270 3.463 2.299 3.941 . 0 0 "[ . 1 . 2]" 1
970 1 56 VAL H 1 56 VAL HB . . 3.480 2.569 2.498 2.636 . 0 0 "[ . 1 . 2]" 1
971 1 56 VAL H 1 56 VAL QG . . 3.420 2.934 2.851 3.119 . 0 0 "[ . 1 . 2]" 1
972 1 56 VAL H 1 57 GLU H . . 3.890 3.927 3.815 4.029 0.139 15 0 "[ . 1 . 2]" 1
973 1 56 VAL HA 1 56 VAL QG . . 3.290 2.131 2.015 2.177 . 0 0 "[ . 1 . 2]" 1
974 1 56 VAL HA 1 57 GLU H . . 3.330 2.229 2.201 2.247 . 0 0 "[ . 1 . 2]" 1
975 1 56 VAL HA 1 93 ILE MD . . 3.480 3.305 3.022 3.483 0.003 20 0 "[ . 1 . 2]" 1
976 1 56 VAL HB 1 57 GLU H . . 4.960 4.581 4.549 4.625 . 0 0 "[ . 1 . 2]" 1
977 1 56 VAL HB 1 58 PHE QE . . 4.380 3.556 3.183 3.859 . 0 0 "[ . 1 . 2]" 1
978 1 56 VAL QG 1 57 GLU H . . 3.600 3.235 3.024 3.306 . 0 0 "[ . 1 . 2]" 1
979 1 56 VAL QG 1 58 PHE HA . . 4.320 3.514 3.425 3.574 . 0 0 "[ . 1 . 2]" 1
980 1 56 VAL QG 1 58 PHE QE . . 3.470 2.733 2.497 2.955 . 0 0 "[ . 1 . 2]" 1
981 1 56 VAL QG 1 58 PHE HZ . . 4.570 3.139 2.927 3.300 . 0 0 "[ . 1 . 2]" 1
982 1 57 GLU H 1 57 GLU HB2 . . 3.760 2.775 2.707 2.834 . 0 0 "[ . 1 . 2]" 1
983 1 57 GLU H 1 57 GLU HB3 . . 3.920 2.336 2.256 2.365 . 0 0 "[ . 1 . 2]" 1
984 1 57 GLU H 1 93 ILE MD . . 3.760 2.185 1.965 2.289 . 0 0 "[ . 1 . 2]" 1
985 1 57 GLU HA 1 57 GLU QG . . 3.820 2.629 2.565 3.081 . 0 0 "[ . 1 . 2]" 1
986 1 57 GLU HA 1 58 PHE H . . 3.170 2.263 2.247 2.271 . 0 0 "[ . 1 . 2]" 1
987 1 57 GLU HB2 1 93 ILE H . . 4.290 3.650 3.228 4.195 . 0 0 "[ . 1 . 2]" 1
988 1 57 GLU HB2 1 93 ILE MD . . 3.120 2.013 1.871 2.221 . 0 0 "[ . 1 . 2]" 1
989 1 57 GLU HB2 1 93 ILE HG12 . . 3.770 3.297 3.032 3.517 . 0 0 "[ . 1 . 2]" 1
990 1 57 GLU HB2 1 93 ILE HG13 . . 4.100 2.069 1.993 2.317 . 0 0 "[ . 1 . 2]" 1
991 1 57 GLU HB3 1 93 ILE MD . . 3.310 2.180 1.972 2.357 . 0 0 "[ . 1 . 2]" 1
992 1 57 GLU QG 1 58 PHE H . . 3.760 3.355 3.249 3.788 0.028 19 0 "[ . 1 . 2]" 1
993 1 58 PHE H 1 58 PHE HB2 . . 3.900 2.089 2.067 2.118 . 0 0 "[ . 1 . 2]" 1
994 1 58 PHE H 1 58 PHE HB3 . . 3.730 3.399 3.388 3.412 . 0 0 "[ . 1 . 2]" 1
995 1 58 PHE H 1 58 PHE QD . . 3.730 2.489 2.279 2.653 . 0 0 "[ . 1 . 2]" 1
996 1 58 PHE H 1 59 GLU H . . 4.880 4.655 4.643 4.665 . 0 0 "[ . 1 . 2]" 1
997 1 58 PHE H 1 64 ALA MB . . 4.940 3.446 3.169 3.883 . 0 0 "[ . 1 . 2]" 1
998 1 58 PHE HA 1 58 PHE QD . . 3.700 2.849 2.729 3.015 . 0 0 "[ . 1 . 2]" 1
999 1 58 PHE HA 1 59 GLU H . . 3.380 2.414 2.352 2.479 . 0 0 "[ . 1 . 2]" 1
1000 1 58 PHE HA 1 59 GLU HA . . 4.200 4.243 4.240 4.245 0.045 7 0 "[ . 1 . 2]" 1
1001 1 58 PHE HB2 1 59 GLU H . . 4.120 4.012 3.893 4.127 0.007 10 0 "[ . 1 . 2]" 1
1002 1 58 PHE HB2 1 60 ASN H . . 4.050 3.880 3.581 4.063 0.013 6 0 "[ . 1 . 2]" 1
1003 1 58 PHE HB2 1 63 SER HB2 . . 3.900 3.446 3.101 3.916 0.016 14 0 "[ . 1 . 2]" 1
1004 1 58 PHE HB2 1 63 SER HB3 . . 4.190 3.726 3.134 4.150 . 0 0 "[ . 1 . 2]" 1
1005 1 58 PHE HB2 1 64 ALA MB . . 3.340 2.700 2.499 2.903 . 0 0 "[ . 1 . 2]" 1
1006 1 58 PHE HB3 1 59 GLU H . . 4.440 2.717 2.549 2.889 . 0 0 "[ . 1 . 2]" 1
1007 1 58 PHE HB3 1 60 ASN H . . 3.670 2.713 2.425 2.905 . 0 0 "[ . 1 . 2]" 1
1008 1 58 PHE HB3 1 63 SER HB2 . . 4.150 2.284 1.998 2.732 . 0 0 "[ . 1 . 2]" 1
1009 1 58 PHE HB3 1 63 SER HB3 . . 3.120 2.698 2.195 3.075 . 0 0 "[ . 1 . 2]" 1
1010 1 58 PHE HB3 1 64 ALA H . . 4.290 3.217 2.992 3.493 . 0 0 "[ . 1 . 2]" 1
1011 1 58 PHE HB3 1 64 ALA MB . . 3.970 3.913 3.812 4.000 0.030 12 0 "[ . 1 . 2]" 1
1012 1 58 PHE QD 1 59 GLU H . . 4.630 3.209 3.062 3.322 . 0 0 "[ . 1 . 2]" 1
1013 1 58 PHE QD 1 63 SER HB2 . . 3.960 3.403 2.962 3.906 . 0 0 "[ . 1 . 2]" 1
1014 1 58 PHE QD 1 63 SER HB3 . . 3.820 2.596 2.164 3.146 . 0 0 "[ . 1 . 2]" 1
1015 1 58 PHE QD 1 64 ALA H . . 4.660 3.623 3.232 4.032 . 0 0 "[ . 1 . 2]" 1
1016 1 58 PHE QD 1 64 ALA HA . . 3.390 2.494 2.156 3.009 . 0 0 "[ . 1 . 2]" 1
1017 1 58 PHE QD 1 64 ALA MB . . 3.160 2.385 2.114 2.813 . 0 0 "[ . 1 . 2]" 1
1018 1 58 PHE QE 1 64 ALA HA . . 5.130 3.016 2.616 3.270 . 0 0 "[ . 1 . 2]" 1
1019 1 58 PHE HZ 1 67 CYS QB . . 3.800 2.542 2.359 2.742 . 0 0 "[ . 1 . 2]" 1
1020 1 59 GLU H 1 59 GLU HB2 . . 3.490 2.444 2.081 3.551 0.061 13 0 "[ . 1 . 2]" 1
1021 1 59 GLU H 1 59 GLU HB3 . . 3.590 2.583 2.460 2.987 . 0 0 "[ . 1 . 2]" 1
1022 1 59 GLU H 1 59 GLU QG . . 3.950 3.867 2.030 4.020 0.070 11 0 "[ . 1 . 2]" 1
1023 1 59 GLU H 1 60 ASN H . . 3.830 2.907 2.740 3.073 . 0 0 "[ . 1 . 2]" 1
1024 1 59 GLU HA 1 59 GLU QG . . 3.150 2.492 2.325 3.324 0.174 13 0 "[ . 1 . 2]" 1
1025 1 59 GLU HB2 1 60 ASN H . . 4.270 3.830 3.480 4.039 . 0 0 "[ . 1 . 2]" 1
1026 1 59 GLU HB3 1 59 GLU QG . . 2.400 2.439 2.190 2.571 0.171 4 0 "[ . 1 . 2]" 1
1027 1 59 GLU HB3 1 60 ASN H . . 3.900 2.610 2.356 4.094 0.194 13 0 "[ . 1 . 2]" 1
1028 1 59 GLU HB3 1 60 ASN HB2 . . 5.500 3.637 3.228 5.228 . 0 0 "[ . 1 . 2]" 1
1029 1 59 GLU QG 1 60 ASN H . . 4.290 3.913 1.911 4.185 . 0 0 "[ . 1 . 2]" 1
1030 1 59 GLU QG 1 60 ASN HB2 . . 4.300 4.062 2.489 4.319 0.019 6 0 "[ . 1 . 2]" 1
1031 1 59 GLU QG 1 60 ASN HD21 . . 5.500 4.452 3.661 5.388 . 0 0 "[ . 1 . 2]" 1
1032 1 60 ASN H 1 60 ASN HB2 . . 3.970 2.703 2.456 2.893 . 0 0 "[ . 1 . 2]" 1
1033 1 60 ASN H 1 60 ASN HB3 . . 3.720 3.015 2.881 3.409 . 0 0 "[ . 1 . 2]" 1
1034 1 60 ASN H 1 63 SER H . . 4.830 3.692 3.493 3.899 . 0 0 "[ . 1 . 2]" 1
1035 1 60 ASN H 1 63 SER HB2 . . 4.610 2.797 2.583 2.988 . 0 0 "[ . 1 . 2]" 1
1036 1 60 ASN HA 1 61 ILE H . . 3.420 2.525 2.349 2.670 . 0 0 "[ . 1 . 2]" 1
1037 1 60 ASN HA 1 61 ILE HB . . 4.560 4.514 4.321 4.596 0.036 2 0 "[ . 1 . 2]" 1
1038 1 60 ASN HA 1 61 ILE MG . . 4.660 4.227 4.087 4.555 . 0 0 "[ . 1 . 2]" 1
1039 1 60 ASN HB2 1 60 ASN HD22 . . 4.110 3.508 3.446 3.618 . 0 0 "[ . 1 . 2]" 1
1040 1 60 ASN HB2 1 61 ILE H . . 4.510 4.067 3.860 4.329 . 0 0 "[ . 1 . 2]" 1
1041 1 60 ASN HB2 1 63 SER H . . 4.680 4.056 3.635 4.439 . 0 0 "[ . 1 . 2]" 1
1042 1 60 ASN HB3 1 61 ILE H . . 4.690 3.142 2.440 3.736 . 0 0 "[ . 1 . 2]" 1
1043 1 60 ASN HB3 1 62 ASP H . . 4.420 2.464 2.057 3.430 . 0 0 "[ . 1 . 2]" 1
1044 1 60 ASN HB3 1 63 SER H . . 3.570 2.661 2.423 2.968 . 0 0 "[ . 1 . 2]" 1
1045 1 61 ILE H 1 61 ILE HB . . 3.600 2.471 2.092 2.675 . 0 0 "[ . 1 . 2]" 1
1046 1 61 ILE H 1 61 ILE MD . . 4.520 4.209 4.052 4.305 . 0 0 "[ . 1 . 2]" 1
1047 1 61 ILE H 1 61 ILE HG12 . . 4.860 4.421 3.981 4.523 . 0 0 "[ . 1 . 2]" 1
1048 1 61 ILE H 1 61 ILE HG13 . . 4.970 4.395 4.294 4.551 . 0 0 "[ . 1 . 2]" 1
1049 1 61 ILE H 1 61 ILE MG . . 3.610 2.112 1.904 2.650 . 0 0 "[ . 1 . 2]" 1
1050 1 61 ILE H 1 62 ASP H . . 4.460 2.509 2.291 2.849 . 0 0 "[ . 1 . 2]" 1
1051 1 61 ILE HA 1 61 ILE MD . . 3.700 3.463 1.954 3.692 . 0 0 "[ . 1 . 2]" 1
1052 1 61 ILE HA 1 61 ILE HG12 . . 3.900 3.138 2.530 3.306 . 0 0 "[ . 1 . 2]" 1
1053 1 61 ILE HA 1 61 ILE HG13 . . 3.510 2.442 2.238 3.597 0.087 12 0 "[ . 1 . 2]" 1
1054 1 61 ILE HA 1 61 ILE MG . . 3.680 3.203 3.157 3.216 . 0 0 "[ . 1 . 2]" 1
1055 1 61 ILE HA 1 64 ALA H . . 4.150 3.238 2.948 3.459 . 0 0 "[ . 1 . 2]" 1
1056 1 61 ILE HA 1 64 ALA MB . . 3.080 2.406 2.036 2.633 . 0 0 "[ . 1 . 2]" 1
1057 1 61 ILE HA 1 65 LYS H . . 4.680 4.249 4.121 4.493 . 0 0 "[ . 1 . 2]" 1
1058 1 61 ILE HB 1 61 ILE MD . . 3.120 2.235 2.044 3.195 0.075 14 0 "[ . 1 . 2]" 1
1059 1 61 ILE HB 1 62 ASP H . . 4.540 4.085 3.570 4.346 . 0 0 "[ . 1 . 2]" 1
1060 1 61 ILE MD 1 65 LYS QD . . 4.150 3.652 2.541 4.077 . 0 0 "[ . 1 . 2]" 1
1061 1 61 ILE HG12 1 61 ILE MG . . 3.310 2.381 2.199 3.207 . 0 0 "[ . 1 . 2]" 1
1062 1 61 ILE HG12 1 62 ASP H . . 5.300 4.486 4.182 5.169 . 0 0 "[ . 1 . 2]" 1
1063 1 61 ILE HG13 1 61 ILE MG . . 3.480 3.121 2.256 3.229 . 0 0 "[ . 1 . 2]" 1
1064 1 61 ILE HG13 1 62 ASP H . . 5.030 4.930 4.827 5.046 0.016 17 0 "[ . 1 . 2]" 1
1065 1 61 ILE HG13 1 64 ALA MB . . 3.370 3.103 2.734 4.326 0.956 14 2 "[ . 1 - +. 2]" 1
1066 1 61 ILE MG 1 62 ASP H . . 3.440 2.263 1.896 2.802 . 0 0 "[ . 1 . 2]" 1
1067 1 61 ILE MG 1 62 ASP HA . . 4.150 3.243 2.733 3.610 . 0 0 "[ . 1 . 2]" 1
1068 1 62 ASP H 1 62 ASP HB2 . . 3.650 2.293 2.018 2.640 . 0 0 "[ . 1 . 2]" 1
1069 1 62 ASP H 1 62 ASP HB3 . . 3.600 3.118 2.285 3.579 . 0 0 "[ . 1 . 2]" 1
1070 1 62 ASP H 1 63 SER H . . 3.690 2.748 2.433 3.086 . 0 0 "[ . 1 . 2]" 1
1071 1 62 ASP H 1 64 ALA H . . 5.500 4.399 3.960 4.740 . 0 0 "[ . 1 . 2]" 1
1072 1 62 ASP HA 1 64 ALA H . . 5.500 4.823 4.394 5.043 . 0 0 "[ . 1 . 2]" 1
1073 1 62 ASP HA 1 65 LYS H . . 3.970 3.701 3.420 3.881 . 0 0 "[ . 1 . 2]" 1
1074 1 62 ASP HA 1 65 LYS QB . . 3.590 3.172 2.804 3.444 . 0 0 "[ . 1 . 2]" 1
1075 1 62 ASP HA 1 65 LYS QD . . 4.090 2.098 1.933 3.766 . 0 0 "[ . 1 . 2]" 1
1076 1 62 ASP HA 1 65 LYS QE . . 4.260 3.934 1.930 4.261 0.001 19 0 "[ . 1 . 2]" 1
1077 1 62 ASP HA 1 65 LYS HG2 . . 5.200 4.656 4.327 4.884 . 0 0 "[ . 1 . 2]" 1
1078 1 62 ASP HA 1 65 LYS HG3 . . 5.500 3.551 2.638 4.017 . 0 0 "[ . 1 . 2]" 1
1079 1 62 ASP HB2 1 63 SER H . . 4.120 3.112 2.188 4.137 0.017 5 0 "[ . 1 . 2]" 1
1080 1 62 ASP HB3 1 63 SER H . . 3.970 2.969 2.248 3.734 . 0 0 "[ . 1 . 2]" 1
1081 1 63 SER H 1 63 SER HB2 . . 3.590 2.171 2.046 2.286 . 0 0 "[ . 1 . 2]" 1
1082 1 63 SER H 1 63 SER HB3 . . 3.760 3.435 3.116 3.517 . 0 0 "[ . 1 . 2]" 1
1083 1 63 SER H 1 64 ALA H . . 3.560 2.793 2.535 3.021 . 0 0 "[ . 1 . 2]" 1
1084 1 63 SER H 1 64 ALA MB . . 4.630 4.208 3.999 4.409 . 0 0 "[ . 1 . 2]" 1
1085 1 63 SER H 1 65 LYS H . . 4.620 4.222 3.916 4.442 . 0 0 "[ . 1 . 2]" 1
1086 1 63 SER HA 1 66 GLU H . . 4.090 3.307 2.976 3.624 . 0 0 "[ . 1 . 2]" 1
1087 1 63 SER HA 1 66 GLU HB2 . . 3.730 2.914 2.448 3.707 . 0 0 "[ . 1 . 2]" 1
1088 1 63 SER HA 1 66 GLU HB3 . . 3.570 3.201 2.568 3.582 0.012 15 0 "[ . 1 . 2]" 1
1089 1 63 SER HA 1 66 GLU QG . . 5.080 4.619 4.031 5.106 0.026 19 0 "[ . 1 . 2]" 1
1090 1 63 SER HA 1 67 CYS H . . 5.500 4.247 3.985 4.441 . 0 0 "[ . 1 . 2]" 1
1091 1 63 SER HB2 1 64 ALA H . . 3.630 2.650 2.352 3.098 . 0 0 "[ . 1 . 2]" 1
1092 1 63 SER HB3 1 64 ALA H . . 4.120 3.033 2.520 3.410 . 0 0 "[ . 1 . 2]" 1
1093 1 64 ALA H 1 64 ALA MB . . 3.120 2.053 1.947 2.171 . 0 0 "[ . 1 . 2]" 1
1094 1 64 ALA H 1 65 LYS H . . 3.500 2.965 2.827 3.075 . 0 0 "[ . 1 . 2]" 1
1095 1 64 ALA H 1 66 GLU H . . 4.970 4.489 3.988 4.901 . 0 0 "[ . 1 . 2]" 1
1096 1 64 ALA HA 1 67 CYS H . . 4.240 3.453 3.171 3.641 . 0 0 "[ . 1 . 2]" 1
1097 1 64 ALA HA 1 67 CYS QB . . 3.630 2.735 2.206 3.001 . 0 0 "[ . 1 . 2]" 1
1098 1 64 ALA HA 1 68 VAL QG . . 4.460 3.830 3.402 4.103 . 0 0 "[ . 1 . 2]" 1
1099 1 64 ALA MB 1 65 LYS H . . 3.150 2.582 2.401 2.737 . 0 0 "[ . 1 . 2]" 1
1100 1 64 ALA MB 1 65 LYS HA . . 3.890 3.750 3.636 3.834 . 0 0 "[ . 1 . 2]" 1
1101 1 64 ALA MB 1 68 VAL QG . . 4.490 3.240 2.707 3.497 . 0 0 "[ . 1 . 2]" 1
1102 1 64 ALA MB 1 87 TYR QD . . 3.260 3.297 3.273 3.357 0.097 12 0 "[ . 1 . 2]" 1
1103 1 64 ALA MB 1 87 TYR QE . . 3.570 3.058 2.777 3.343 . 0 0 "[ . 1 . 2]" 1
1104 1 65 LYS H 1 65 LYS QB . . 3.190 2.495 2.450 2.556 . 0 0 "[ . 1 . 2]" 1
1105 1 65 LYS H 1 65 LYS HG2 . . 3.970 3.328 2.669 3.584 . 0 0 "[ . 1 . 2]" 1
1106 1 65 LYS H 1 65 LYS HG3 . . 4.190 1.952 1.908 2.111 . 0 0 "[ . 1 . 2]" 1
1107 1 65 LYS H 1 87 TYR QE . . 4.210 3.566 3.373 3.817 . 0 0 "[ . 1 . 2]" 1
1108 1 65 LYS HA 1 65 LYS HG2 . . 3.780 2.691 2.340 2.924 . 0 0 "[ . 1 . 2]" 1
1109 1 65 LYS HA 1 65 LYS HG3 . . 3.740 2.849 2.675 3.327 . 0 0 "[ . 1 . 2]" 1
1110 1 65 LYS HA 1 68 VAL H . . 4.560 3.460 3.172 3.750 . 0 0 "[ . 1 . 2]" 1
1111 1 65 LYS HA 1 68 VAL HB . . 3.790 3.026 2.509 4.316 0.526 17 2 "[ . 1 . +- 2]" 1
1112 1 65 LYS HA 1 68 VAL QG . . 3.530 2.562 1.731 3.232 . 0 0 "[ . 1 . 2]" 1
1113 1 65 LYS HA 1 87 TYR QE . . 3.180 2.036 1.971 2.307 . 0 0 "[ . 1 . 2]" 1
1114 1 65 LYS QB 1 65 LYS QD . . 2.780 2.143 2.032 2.390 . 0 0 "[ . 1 . 2]" 1
1115 1 65 LYS QB 1 65 LYS QE . . 3.440 2.495 1.952 2.998 . 0 0 "[ . 1 . 2]" 1
1116 1 65 LYS QB 1 66 GLU H . . 3.260 2.440 2.183 2.909 . 0 0 "[ . 1 . 2]" 1
1117 1 65 LYS QD 1 65 LYS HG2 . . 2.780 2.469 2.179 2.532 . 0 0 "[ . 1 . 2]" 1
1118 1 65 LYS QE 1 65 LYS HG2 . . 3.100 2.221 2.052 3.125 0.025 6 0 "[ . 1 . 2]" 1
1119 1 65 LYS QE 1 65 LYS HG3 . . 3.920 3.227 2.156 3.358 . 0 0 "[ . 1 . 2]" 1
1120 1 65 LYS HG2 1 87 TYR QE . . 5.130 2.941 2.525 3.544 . 0 0 "[ . 1 . 2]" 1
1121 1 65 LYS HG3 1 66 GLU H . . 4.240 4.255 4.198 4.306 0.066 18 0 "[ . 1 . 2]" 1
1122 1 65 LYS HG3 1 87 TYR QE . . 5.100 3.190 2.620 4.316 . 0 0 "[ . 1 . 2]" 1
1123 1 66 GLU H 1 66 GLU HB2 . . 3.220 2.162 2.110 2.250 . 0 0 "[ . 1 . 2]" 1
1124 1 66 GLU H 1 66 GLU HB3 . . 3.190 2.875 2.762 2.961 . 0 0 "[ . 1 . 2]" 1
1125 1 66 GLU H 1 66 GLU QG . . 3.990 3.914 3.768 4.006 0.016 18 0 "[ . 1 . 2]" 1
1126 1 66 GLU H 1 67 CYS H . . 3.630 2.867 2.546 3.041 . 0 0 "[ . 1 . 2]" 1
1127 1 66 GLU HA 1 66 GLU QG . . 3.550 2.246 2.100 2.474 . 0 0 "[ . 1 . 2]" 1
1128 1 66 GLU HA 1 70 PHE H . . 4.980 3.449 2.942 3.988 . 0 0 "[ . 1 . 2]" 1
1129 1 66 GLU HB2 1 67 CYS H . . 3.600 3.643 3.464 3.792 0.192 17 0 "[ . 1 . 2]" 1
1130 1 66 GLU HB3 1 67 CYS H . . 3.500 2.630 2.408 2.872 . 0 0 "[ . 1 . 2]" 1
1131 1 66 GLU QG 1 67 CYS H . . 4.050 4.074 3.916 4.202 0.152 17 0 "[ . 1 . 2]" 1
1132 1 66 GLU QG 1 70 PHE HB2 . . 4.790 3.039 2.329 3.815 . 0 0 "[ . 1 . 2]" 1
1133 1 66 GLU QG 1 70 PHE HB3 . . 4.960 4.135 3.455 4.865 . 0 0 "[ . 1 . 2]" 1
1134 1 67 CYS H 1 67 CYS QB . . 3.200 2.309 2.207 2.654 . 0 0 "[ . 1 . 2]" 1
1135 1 67 CYS H 1 68 VAL H . . 3.760 2.826 2.713 3.116 . 0 0 "[ . 1 . 2]" 1
1136 1 67 CYS H 1 68 VAL QG . . 4.460 3.906 3.116 4.182 . 0 0 "[ . 1 . 2]" 1
1137 1 67 CYS HA 1 68 VAL H . . 3.630 3.636 3.598 3.650 0.020 12 0 "[ . 1 . 2]" 1
1138 1 67 CYS HA 1 70 PHE H . . 4.890 3.965 3.712 4.357 . 0 0 "[ . 1 . 2]" 1
1139 1 67 CYS HA 1 70 PHE HB2 . . 4.940 3.814 3.421 4.321 . 0 0 "[ . 1 . 2]" 1
1140 1 67 CYS HA 1 70 PHE HB3 . . 4.150 2.736 2.402 3.131 . 0 0 "[ . 1 . 2]" 1
1141 1 67 CYS HA 1 71 ALA H . . 5.500 4.072 3.862 4.341 . 0 0 "[ . 1 . 2]" 1
1142 1 67 CYS QB 1 68 VAL H . . 3.600 2.377 2.073 2.731 . 0 0 "[ . 1 . 2]" 1
1143 1 67 CYS QB 1 68 VAL QG . . 3.850 2.976 2.720 3.156 . 0 0 "[ . 1 . 2]" 1
1144 1 68 VAL H 1 68 VAL HB . . 3.250 2.668 2.320 3.541 0.291 17 0 "[ . 1 . 2]" 1
1145 1 68 VAL H 1 68 VAL QG . . 3.200 2.007 1.769 2.349 . 0 0 "[ . 1 . 2]" 1
1146 1 68 VAL H 1 69 THR H . . 3.600 3.070 2.796 3.342 . 0 0 "[ . 1 . 2]" 1
1147 1 68 VAL HA 1 68 VAL QG . . 2.990 2.094 2.024 2.190 . 0 0 "[ . 1 . 2]" 1
1148 1 68 VAL HA 1 71 ALA MB . . 3.610 2.446 2.257 2.817 . 0 0 "[ . 1 . 2]" 1
1149 1 68 VAL HA 1 85 PHE HB2 . . 3.840 2.811 2.327 3.260 . 0 0 "[ . 1 . 2]" 1
1150 1 68 VAL HA 1 85 PHE HB3 . . 3.840 2.851 2.040 3.138 . 0 0 "[ . 1 . 2]" 1
1151 1 68 VAL HA 1 86 ASN HA . . 4.530 4.270 3.890 4.545 0.015 4 0 "[ . 1 . 2]" 1
1152 1 68 VAL HB 1 69 THR H . . 3.830 2.163 1.982 2.862 . 0 0 "[ . 1 . 2]" 1
1153 1 68 VAL HB 1 69 THR MG . . 4.320 4.318 3.810 4.734 0.414 19 0 "[ . 1 . 2]" 1
1154 1 68 VAL HB 1 87 TYR QE . . 4.450 3.328 2.542 4.387 . 0 0 "[ . 1 . 2]" 1
1155 1 68 VAL QG 1 69 THR H . . 4.180 2.706 1.795 3.009 . 0 0 "[ . 1 . 2]" 1
1156 1 68 VAL QG 1 69 THR HA . . 4.100 3.441 3.160 3.832 . 0 0 "[ . 1 . 2]" 1
1157 1 68 VAL QG 1 69 THR MG . . 4.610 4.049 2.799 4.448 . 0 0 "[ . 1 . 2]" 1
1158 1 68 VAL QG 1 71 ALA MB . . 4.380 3.485 3.253 3.719 . 0 0 "[ . 1 . 2]" 1
1159 1 68 VAL QG 1 72 ALA MB . . 4.440 3.267 2.554 4.121 . 0 0 "[ . 1 . 2]" 1
1160 1 68 VAL QG 1 85 PHE HA . . 4.970 4.119 3.512 4.365 . 0 0 "[ . 1 . 2]" 1
1161 1 68 VAL QG 1 85 PHE HB2 . . 3.970 3.454 2.992 3.645 . 0 0 "[ . 1 . 2]" 1
1162 1 68 VAL QG 1 85 PHE HB3 . . 3.470 2.765 2.154 2.957 . 0 0 "[ . 1 . 2]" 1
1163 1 68 VAL QG 1 85 PHE QD . . 4.520 4.182 3.662 4.323 . 0 0 "[ . 1 . 2]" 1
1164 1 68 VAL QG 1 86 ASN H . . 4.650 3.641 2.902 3.952 . 0 0 "[ . 1 . 2]" 1
1165 1 68 VAL QG 1 87 TYR H . . 4.380 2.618 2.286 3.152 . 0 0 "[ . 1 . 2]" 1
1166 1 68 VAL QG 1 87 TYR QD . . 3.860 2.547 2.210 2.820 . 0 0 "[ . 1 . 2]" 1
1167 1 68 VAL QG 1 87 TYR QE . . 3.880 2.131 1.927 2.529 . 0 0 "[ . 1 . 2]" 1
1168 1 69 THR H 1 69 THR HB . . 3.610 2.417 2.135 2.965 . 0 0 "[ . 1 . 2]" 1
1169 1 69 THR H 1 69 THR MG . . 3.680 2.620 2.027 3.440 . 0 0 "[ . 1 . 2]" 1
1170 1 69 THR H 1 70 PHE H . . 3.660 3.095 2.937 3.244 . 0 0 "[ . 1 . 2]" 1
1171 1 69 THR H 1 70 PHE HB2 . . 5.340 5.334 5.205 5.422 0.082 14 0 "[ . 1 . 2]" 1
1172 1 69 THR H 1 71 ALA H . . 5.320 4.208 4.052 4.488 . 0 0 "[ . 1 . 2]" 1
1173 1 69 THR H 1 72 ALA H . . 5.500 4.976 4.818 5.167 . 0 0 "[ . 1 . 2]" 1
1174 1 69 THR HA 1 72 ALA H . . 4.250 3.534 3.418 3.642 . 0 0 "[ . 1 . 2]" 1
1175 1 69 THR HA 1 72 ALA MB . . 3.560 2.355 2.153 2.565 . 0 0 "[ . 1 . 2]" 1
1176 1 69 THR HB 1 70 PHE H . . 3.840 3.494 2.138 3.869 0.029 17 0 "[ . 1 . 2]" 1
1177 1 69 THR MG 1 70 PHE H . . 4.270 2.203 1.773 3.756 . 0 0 "[ . 1 . 2]" 1
1178 1 69 THR MG 1 70 PHE HA . . 4.030 3.411 2.880 4.327 0.297 19 0 "[ . 1 . 2]" 1
1179 1 70 PHE H 1 70 PHE HB2 . . 3.440 2.345 2.223 2.462 . 0 0 "[ . 1 . 2]" 1
1180 1 70 PHE H 1 70 PHE HB3 . . 3.450 2.363 2.254 2.500 . 0 0 "[ . 1 . 2]" 1
1181 1 70 PHE H 1 70 PHE QD . . 4.450 4.066 4.050 4.075 . 0 0 "[ . 1 . 2]" 1
1182 1 70 PHE H 1 71 ALA H . . 3.750 2.732 2.575 2.847 . 0 0 "[ . 1 . 2]" 1
1183 1 70 PHE H 1 71 ALA MB . . 4.770 4.349 4.188 4.487 . 0 0 "[ . 1 . 2]" 1
1184 1 70 PHE H 1 72 ALA H . . 5.290 3.868 3.690 4.028 . 0 0 "[ . 1 . 2]" 1
1185 1 70 PHE HA 1 70 PHE QD . . 3.480 3.124 2.831 3.232 . 0 0 "[ . 1 . 2]" 1
1186 1 70 PHE HA 1 73 ASP HB2 . . 4.460 3.168 2.717 3.541 . 0 0 "[ . 1 . 2]" 1
1187 1 70 PHE HA 1 73 ASP HB3 . . 4.550 4.128 3.580 4.558 0.008 20 0 "[ . 1 . 2]" 1
1188 1 70 PHE HA 1 74 VAL H . . 3.680 3.455 3.096 3.708 0.028 19 0 "[ . 1 . 2]" 1
1189 1 70 PHE HA 1 74 VAL QG . . 4.990 2.995 2.505 3.571 . 0 0 "[ . 1 . 2]" 1
1190 1 70 PHE HB2 1 71 ALA H . . 3.970 3.889 3.785 3.990 0.020 16 0 "[ . 1 . 2]" 1
1191 1 70 PHE HB3 1 71 ALA H . . 3.550 2.586 2.383 2.722 . 0 0 "[ . 1 . 2]" 1
1192 1 70 PHE HB3 1 71 ALA MB . . 4.890 3.725 3.642 3.848 . 0 0 "[ . 1 . 2]" 1
1193 1 70 PHE HB3 1 72 ALA H . . 4.880 4.541 4.424 4.626 . 0 0 "[ . 1 . 2]" 1
1194 1 70 PHE HB3 1 76 VAL QG . . 4.930 4.082 3.536 4.580 . 0 0 "[ . 1 . 2]" 1
1195 1 70 PHE QD 1 71 ALA H . . 3.560 3.319 3.005 3.528 . 0 0 "[ . 1 . 2]" 1
1196 1 70 PHE QD 1 71 ALA MB . . 3.270 3.247 3.060 3.331 0.061 19 0 "[ . 1 . 2]" 1
1197 1 70 PHE QD 1 74 VAL QG . . 3.780 2.789 2.377 3.322 . 0 0 "[ . 1 . 2]" 1
1198 1 70 PHE QD 1 76 VAL QG . . 3.350 2.305 1.877 2.763 . 0 0 "[ . 1 . 2]" 1
1199 1 70 PHE QE 1 74 VAL QG . . 3.120 2.429 2.220 2.689 . 0 0 "[ . 1 . 2]" 1
1200 1 70 PHE QE 1 76 VAL QG . . 3.420 2.042 1.901 2.575 . 0 0 "[ . 1 . 2]" 1
1201 1 71 ALA H 1 71 ALA MB . . 3.040 2.118 1.976 2.211 . 0 0 "[ . 1 . 2]" 1
1202 1 71 ALA H 1 72 ALA H . . 3.460 2.594 2.547 2.647 . 0 0 "[ . 1 . 2]" 1
1203 1 71 ALA H 1 72 ALA MB . . 4.090 3.874 3.784 4.104 0.014 4 0 "[ . 1 . 2]" 1
1204 1 71 ALA H 1 76 VAL QG . . 4.450 3.884 3.451 4.313 . 0 0 "[ . 1 . 2]" 1
1205 1 71 ALA MB 1 72 ALA H . . 3.450 3.425 3.231 3.502 0.052 16 0 "[ . 1 . 2]" 1
1206 1 71 ALA MB 1 74 VAL H . . 5.330 4.851 4.724 4.959 . 0 0 "[ . 1 . 2]" 1
1207 1 71 ALA MB 1 76 VAL H . . 4.690 4.178 3.403 4.598 . 0 0 "[ . 1 . 2]" 1
1208 1 71 ALA MB 1 76 VAL HB . . 3.980 3.528 2.905 4.151 0.171 7 0 "[ . 1 . 2]" 1
1209 1 71 ALA MB 1 76 VAL QG . . 3.030 2.219 1.762 2.683 . 0 0 "[ . 1 . 2]" 1
1210 1 71 ALA MB 1 85 PHE H . . 4.080 3.064 2.391 3.804 . 0 0 "[ . 1 . 2]" 1
1211 1 71 ALA MB 1 85 PHE HB2 . . 3.680 1.981 1.777 2.239 . 0 0 "[ . 1 . 2]" 1
1212 1 71 ALA MB 1 85 PHE HB3 . . 4.170 3.113 2.767 3.435 . 0 0 "[ . 1 . 2]" 1
1213 1 71 ALA MB 1 85 PHE QD . . 3.070 1.923 1.774 2.174 . 0 0 "[ . 1 . 2]" 1
1214 1 71 ALA MB 1 85 PHE QE . . 4.700 3.516 3.107 3.805 . 0 0 "[ . 1 . 2]" 1
1215 1 72 ALA H 1 72 ALA MB . . 2.770 2.314 2.197 2.377 . 0 0 "[ . 1 . 2]" 1
1216 1 72 ALA H 1 73 ASP H . . 3.060 1.938 1.885 2.100 . 0 0 "[ . 1 . 2]" 1
1217 1 72 ALA H 1 73 ASP HB2 . . 4.880 3.843 3.741 3.925 . 0 0 "[ . 1 . 2]" 1
1218 1 72 ALA H 1 74 VAL H . . 3.140 3.158 3.009 3.237 0.097 5 0 "[ . 1 . 2]" 1
1219 1 72 ALA HA 1 73 ASP H . . 3.540 3.555 3.531 3.597 0.057 4 0 "[ . 1 . 2]" 1
1220 1 72 ALA MB 1 73 ASP H . . 2.890 2.868 2.661 2.929 0.039 14 0 "[ . 1 . 2]" 1
1221 1 72 ALA MB 1 73 ASP HA . . 4.240 3.895 3.789 3.994 . 0 0 "[ . 1 . 2]" 1
1222 1 72 ALA MB 1 73 ASP HB2 . . 4.470 3.918 3.794 4.086 . 0 0 "[ . 1 . 2]" 1
1223 1 72 ALA MB 1 73 ASP HB3 . . 5.500 5.174 5.098 5.269 . 0 0 "[ . 1 . 2]" 1
1224 1 72 ALA MB 1 74 VAL H . . 4.700 4.482 4.300 4.552 . 0 0 "[ . 1 . 2]" 1
1225 1 73 ASP H 1 73 ASP HB2 . . 3.380 2.167 2.046 2.281 . 0 0 "[ . 1 . 2]" 1
1226 1 73 ASP H 1 73 ASP HB3 . . 3.600 3.244 3.133 3.367 . 0 0 "[ . 1 . 2]" 1
1227 1 73 ASP H 1 74 VAL H . . 3.100 2.092 1.889 2.346 . 0 0 "[ . 1 . 2]" 1
1228 1 73 ASP H 1 74 VAL HB . . 5.310 4.871 4.151 5.309 . 0 0 "[ . 1 . 2]" 1
1229 1 73 ASP H 1 74 VAL QG . . 5.500 3.495 3.157 3.933 . 0 0 "[ . 1 . 2]" 1
1230 1 73 ASP HB2 1 74 VAL H . . 3.890 3.168 3.027 3.372 . 0 0 "[ . 1 . 2]" 1
1231 1 73 ASP HB2 1 74 VAL QG . . 3.460 3.287 3.117 3.420 . 0 0 "[ . 1 . 2]" 1
1232 1 73 ASP HB3 1 74 VAL H . . 4.060 3.217 2.989 3.394 . 0 0 "[ . 1 . 2]" 1
1233 1 73 ASP HB3 1 74 VAL QG . . 3.420 2.721 2.484 3.079 . 0 0 "[ . 1 . 2]" 1
1234 1 74 VAL H 1 74 VAL HB . . 3.400 3.065 2.429 3.447 0.047 7 0 "[ . 1 . 2]" 1
1235 1 74 VAL H 1 74 VAL QG . . 3.480 2.258 1.890 2.777 . 0 0 "[ . 1 . 2]" 1
1236 1 74 VAL H 1 75 PRO HD2 . . 4.900 5.010 4.977 5.032 0.132 2 0 "[ . 1 . 2]" 1
1237 1 74 VAL H 1 75 PRO HD3 . . 5.410 4.560 4.472 4.661 . 0 0 "[ . 1 . 2]" 1
1238 1 74 VAL HA 1 74 VAL QG . . 3.150 2.367 2.155 2.526 . 0 0 "[ . 1 . 2]" 1
1239 1 74 VAL HA 1 75 PRO HD2 . . 2.840 2.500 2.437 2.551 . 0 0 "[ . 1 . 2]" 1
1240 1 74 VAL HA 1 75 PRO HD3 . . 2.860 1.920 1.913 1.931 . 0 0 "[ . 1 . 2]" 1
1241 1 74 VAL HA 1 75 PRO HG2 . . 4.750 4.488 4.450 4.522 . 0 0 "[ . 1 . 2]" 1
1242 1 74 VAL HA 1 75 PRO HG3 . . 5.220 4.192 4.183 4.203 . 0 0 "[ . 1 . 2]" 1
1243 1 74 VAL HB 1 75 PRO HD2 . . 4.490 3.764 3.447 4.183 . 0 0 "[ . 1 . 2]" 1
1244 1 74 VAL HB 1 75 PRO HD3 . . 4.380 4.179 3.861 4.644 0.264 2 0 "[ . 1 . 2]" 1
1245 1 74 VAL QG 1 75 PRO HD2 . . 3.330 1.880 1.770 1.965 . 0 0 "[ . 1 . 2]" 1
1246 1 74 VAL QG 1 75 PRO HD3 . . 3.250 2.962 2.774 3.158 . 0 0 "[ . 1 . 2]" 1
1247 1 74 VAL QG 1 76 VAL QG . . 3.070 2.866 2.686 3.037 . 0 0 "[ . 1 . 2]" 1
1248 1 75 PRO HA 1 76 VAL H . . 3.020 2.219 2.151 2.288 . 0 0 "[ . 1 . 2]" 1
1249 1 75 PRO HA 1 76 VAL QG . . 3.110 3.102 3.016 3.183 0.073 18 0 "[ . 1 . 2]" 1
1250 1 75 PRO HA 1 82 GLN HE21 . . 4.250 3.596 2.987 4.483 0.233 11 0 "[ . 1 . 2]" 1
1251 1 75 PRO HA 1 82 GLN HE22 . . 4.490 3.909 3.254 4.499 0.009 2 0 "[ . 1 . 2]" 1
1252 1 75 PRO HB2 1 76 VAL H . . 4.090 3.380 3.111 3.741 . 0 0 "[ . 1 . 2]" 1
1253 1 75 PRO HB2 1 77 TYR QE . . 3.380 2.399 2.015 2.698 . 0 0 "[ . 1 . 2]" 1
1254 1 75 PRO HB3 1 76 VAL H . . 3.920 3.788 3.616 4.035 0.115 7 0 "[ . 1 . 2]" 1
1255 1 75 PRO HB3 1 77 TYR QE . . 4.200 3.878 3.336 4.222 0.022 16 0 "[ . 1 . 2]" 1
1256 1 75 PRO HG2 1 77 TYR QE . . 3.850 3.361 2.458 3.851 0.001 4 0 "[ . 1 . 2]" 1
1257 1 75 PRO HG3 1 77 TYR QE . . 5.250 4.349 3.872 4.664 . 0 0 "[ . 1 . 2]" 1
1258 1 76 VAL H 1 76 VAL HB . . 3.390 2.926 2.647 3.615 0.225 5 0 "[ . 1 . 2]" 1
1259 1 76 VAL H 1 76 VAL QG . . 3.740 2.434 1.849 2.705 . 0 0 "[ . 1 . 2]" 1
1260 1 76 VAL H 1 77 TYR H . . 5.330 4.436 4.315 4.592 . 0 0 "[ . 1 . 2]" 1
1261 1 76 VAL H 1 82 GLN HA . . 5.480 4.908 4.634 5.347 . 0 0 "[ . 1 . 2]" 1
1262 1 76 VAL H 1 82 GLN HE21 . . 4.880 3.051 2.536 4.064 . 0 0 "[ . 1 . 2]" 1
1263 1 76 VAL H 1 82 GLN HE22 . . 4.840 3.926 2.818 4.585 . 0 0 "[ . 1 . 2]" 1
1264 1 76 VAL H 1 83 ALA H . . 5.500 4.111 3.731 4.621 . 0 0 "[ . 1 . 2]" 1
1265 1 76 VAL H 1 85 PHE QE . . 4.780 4.487 4.106 4.893 0.113 7 0 "[ . 1 . 2]" 1
1266 1 76 VAL HA 1 76 VAL QG . . 3.100 2.208 2.076 2.519 . 0 0 "[ . 1 . 2]" 1
1267 1 76 VAL HA 1 77 TYR H . . 2.970 2.290 2.212 2.366 . 0 0 "[ . 1 . 2]" 1
1268 1 76 VAL HA 1 77 TYR HB2 . . 4.470 4.189 4.101 4.313 . 0 0 "[ . 1 . 2]" 1
1269 1 76 VAL HA 1 77 TYR QD . . 4.170 3.067 2.831 3.384 . 0 0 "[ . 1 . 2]" 1
1270 1 76 VAL HA 1 77 TYR QE . . 4.910 4.790 4.508 4.920 0.010 5 0 "[ . 1 . 2]" 1
1271 1 76 VAL HB 1 77 TYR QD . . 5.390 5.255 5.066 5.405 0.015 20 0 "[ . 1 . 2]" 1
1272 1 76 VAL HB 1 83 ALA H . . 5.500 4.726 4.216 5.264 . 0 0 "[ . 1 . 2]" 1
1273 1 76 VAL HB 1 85 PHE QE . . 3.400 2.065 1.961 2.577 . 0 0 "[ . 1 . 2]" 1
1274 1 76 VAL HB 1 85 PHE HZ . . 4.200 4.157 3.802 4.250 0.050 20 0 "[ . 1 . 2]" 1
1275 1 76 VAL QG 1 77 TYR H . . 3.510 2.362 1.907 3.173 . 0 0 "[ . 1 . 2]" 1
1276 1 76 VAL QG 1 85 PHE QE . . 3.240 2.235 1.805 2.669 . 0 0 "[ . 1 . 2]" 1
1277 1 76 VAL QG 1 85 PHE HZ . . 3.120 2.960 2.626 3.102 . 0 0 "[ . 1 . 2]" 1
1278 1 77 TYR H 1 77 TYR HB2 . . 3.350 2.366 2.286 2.457 . 0 0 "[ . 1 . 2]" 1
1279 1 77 TYR H 1 77 TYR QD . . 3.770 2.837 2.462 3.140 . 0 0 "[ . 1 . 2]" 1
1280 1 77 TYR H 1 77 TYR QE . . 5.500 5.123 4.778 5.334 . 0 0 "[ . 1 . 2]" 1
1281 1 77 TYR HA 1 77 TYR QD . . 4.100 3.113 2.920 3.179 . 0 0 "[ . 1 . 2]" 1
1282 1 77 TYR HA 1 78 ILE H . . 3.070 2.243 2.193 2.298 . 0 0 "[ . 1 . 2]" 1
1283 1 77 TYR HA 1 81 GLN H . . 4.840 4.251 3.279 4.852 0.012 3 0 "[ . 1 . 2]" 1
1284 1 77 TYR HA 1 82 GLN HA . . 3.280 2.207 2.000 2.678 . 0 0 "[ . 1 . 2]" 1
1285 1 77 TYR HA 1 83 ALA H . . 3.700 3.179 2.809 3.698 . 0 0 "[ . 1 . 2]" 1
1286 1 77 TYR HB2 1 78 ILE H . . 5.040 4.283 4.146 4.440 . 0 0 "[ . 1 . 2]" 1
1287 1 77 TYR HB2 1 80 GLY H . . 4.980 3.930 3.476 4.284 . 0 0 "[ . 1 . 2]" 1
1288 1 77 TYR HB2 1 81 GLN H . . 5.280 4.713 3.903 5.285 0.005 20 0 "[ . 1 . 2]" 1
1289 1 77 TYR HB3 1 78 ILE H . . 3.670 3.244 3.017 3.527 . 0 0 "[ . 1 . 2]" 1
1290 1 77 TYR HB3 1 80 GLY H . . 3.520 2.922 2.520 3.228 . 0 0 "[ . 1 . 2]" 1
1291 1 77 TYR HB3 1 80 GLY HA2 . . 4.480 2.847 2.491 2.998 . 0 0 "[ . 1 . 2]" 1
1292 1 77 TYR HB3 1 80 GLY HA3 . . 4.550 4.274 3.869 4.508 . 0 0 "[ . 1 . 2]" 1
1293 1 77 TYR HB3 1 81 GLN H . . 5.000 3.058 2.267 3.642 . 0 0 "[ . 1 . 2]" 1
1294 1 77 TYR QD 1 78 ILE H . . 4.130 4.100 3.966 4.162 0.032 20 0 "[ . 1 . 2]" 1
1295 1 77 TYR QD 1 80 GLY HA2 . . 4.440 3.805 3.445 4.272 . 0 0 "[ . 1 . 2]" 1
1296 1 77 TYR QD 1 80 GLY HA3 . . 5.160 4.771 4.335 5.028 . 0 0 "[ . 1 . 2]" 1
1297 1 77 TYR QD 1 81 GLN H . . 4.870 3.593 2.947 4.098 . 0 0 "[ . 1 . 2]" 1
1298 1 77 TYR QD 1 81 GLN HA . . 3.980 2.658 2.452 2.921 . 0 0 "[ . 1 . 2]" 1
1299 1 77 TYR QD 1 82 GLN H . . 4.700 2.480 2.159 3.158 . 0 0 "[ . 1 . 2]" 1
1300 1 77 TYR QD 1 82 GLN HA . . 4.180 2.869 2.460 3.172 . 0 0 "[ . 1 . 2]" 1
1301 1 77 TYR QD 1 82 GLN HB2 . . 5.500 3.489 3.061 3.907 . 0 0 "[ . 1 . 2]" 1
1302 1 77 TYR QD 1 82 GLN HB3 . . 4.770 4.558 4.243 4.997 0.227 18 0 "[ . 1 . 2]" 1
1303 1 77 TYR QD 1 82 GLN HG2 . . 5.500 4.920 3.443 5.891 0.391 11 0 "[ . 1 . 2]" 1
1304 1 77 TYR QD 1 83 ALA H . . 5.350 4.781 4.415 5.157 . 0 0 "[ . 1 . 2]" 1
1305 1 77 TYR QE 1 82 GLN H . . 4.380 2.946 2.579 3.585 . 0 0 "[ . 1 . 2]" 1
1306 1 77 TYR QE 1 82 GLN HA . . 4.240 3.675 3.239 4.055 . 0 0 "[ . 1 . 2]" 1
1307 1 77 TYR QE 1 82 GLN HB2 . . 4.600 2.574 2.160 3.108 . 0 0 "[ . 1 . 2]" 1
1308 1 77 TYR QE 1 82 GLN HB3 . . 3.900 4.063 3.637 4.610 0.710 18 6 "[ * . 1 * *+-*]" 1
1309 1 78 ILE H 1 78 ILE HB . . 3.670 2.437 2.312 2.534 . 0 0 "[ . 1 . 2]" 1
1310 1 78 ILE H 1 78 ILE MD . . 5.060 3.858 3.483 4.038 . 0 0 "[ . 1 . 2]" 1
1311 1 78 ILE H 1 78 ILE HG12 . . 4.600 2.764 2.560 2.933 . 0 0 "[ . 1 . 2]" 1
1312 1 78 ILE H 1 78 ILE HG13 . . 4.240 3.913 3.610 4.089 . 0 0 "[ . 1 . 2]" 1
1313 1 78 ILE H 1 78 ILE MG . . 4.360 3.740 3.678 3.793 . 0 0 "[ . 1 . 2]" 1
1314 1 78 ILE H 1 81 GLN H . . 3.570 3.026 2.528 3.574 0.004 20 0 "[ . 1 . 2]" 1
1315 1 78 ILE H 1 82 GLN HA . . 4.140 3.626 3.379 3.948 . 0 0 "[ . 1 . 2]" 1
1316 1 78 ILE H 1 83 ALA H . . 4.760 4.302 3.874 4.797 0.037 20 0 "[ . 1 . 2]" 1
1317 1 78 ILE H 1 83 ALA MB . . 4.440 2.887 2.418 3.424 . 0 0 "[ . 1 . 2]" 1
1318 1 78 ILE HA 1 78 ILE MD . . 3.620 2.045 1.894 2.339 . 0 0 "[ . 1 . 2]" 1
1319 1 78 ILE HA 1 78 ILE HG12 . . 3.590 2.880 2.651 3.095 . 0 0 "[ . 1 . 2]" 1
1320 1 78 ILE HA 1 78 ILE HG13 . . 3.770 3.716 3.620 3.781 0.011 15 0 "[ . 1 . 2]" 1
1321 1 78 ILE HA 1 78 ILE MG . . 3.110 2.451 2.399 2.501 . 0 0 "[ . 1 . 2]" 1
1322 1 78 ILE HA 1 79 ALA H . . 3.160 2.194 2.177 2.238 . 0 0 "[ . 1 . 2]" 1
1323 1 78 ILE HA 1 79 ALA HA . . 4.380 4.333 4.327 4.345 . 0 0 "[ . 1 . 2]" 1
1324 1 78 ILE HA 1 79 ALA MB . . 4.180 3.904 3.839 3.986 . 0 0 "[ . 1 . 2]" 1
1325 1 78 ILE HA 1 80 GLY H . . 4.030 3.632 3.317 3.871 . 0 0 "[ . 1 . 2]" 1
1326 1 78 ILE HB 1 78 ILE MD . . 3.370 3.198 3.160 3.213 . 0 0 "[ . 1 . 2]" 1
1327 1 78 ILE HB 1 79 ALA H . . 5.500 4.496 4.384 4.610 . 0 0 "[ . 1 . 2]" 1
1328 1 78 ILE HB 1 79 ALA MB . . 5.090 4.168 4.034 4.342 . 0 0 "[ . 1 . 2]" 1
1329 1 78 ILE HB 1 83 ALA MB . . 3.350 2.722 2.398 2.940 . 0 0 "[ . 1 . 2]" 1
1330 1 78 ILE MD 1 79 ALA H . . 5.420 3.645 3.462 3.871 . 0 0 "[ . 1 . 2]" 1
1331 1 78 ILE MD 1 85 PHE QE . . 3.730 3.309 2.911 3.654 . 0 0 "[ . 1 . 2]" 1
1332 1 78 ILE MD 1 85 PHE HZ . . 3.370 2.239 1.985 2.623 . 0 0 "[ . 1 . 2]" 1
1333 1 78 ILE HG12 1 83 ALA MB . . 3.000 2.339 1.817 2.995 . 0 0 "[ . 1 . 2]" 1
1334 1 78 ILE HG12 1 85 PHE HZ . . 4.590 3.202 2.780 3.752 . 0 0 "[ . 1 . 2]" 1
1335 1 78 ILE HG13 1 78 ILE MG . . 3.120 2.475 2.258 2.624 . 0 0 "[ . 1 . 2]" 1
1336 1 78 ILE HG13 1 83 ALA MB . . 2.780 2.553 1.872 2.805 0.025 3 0 "[ . 1 . 2]" 1
1337 1 78 ILE HG13 1 85 PHE HZ . . 4.440 3.258 2.762 3.931 . 0 0 "[ . 1 . 2]" 1
1338 1 78 ILE MG 1 79 ALA H . . 3.770 3.127 2.772 3.401 . 0 0 "[ . 1 . 2]" 1
1339 1 78 ILE MG 1 79 ALA HA . . 4.420 4.223 4.021 4.420 0.000 14 0 "[ . 1 . 2]" 1
1340 1 78 ILE MG 1 79 ALA MB . . 3.160 2.500 2.333 2.665 . 0 0 "[ . 1 . 2]" 1
1341 1 79 ALA H 1 79 ALA MB . . 3.640 2.889 2.778 2.990 . 0 0 "[ . 1 . 2]" 1
1342 1 79 ALA H 1 80 GLY H . . 4.080 2.543 2.288 2.727 . 0 0 "[ . 1 . 2]" 1
1343 1 79 ALA HA 1 80 GLY H . . 3.530 3.025 2.855 3.248 . 0 0 "[ . 1 . 2]" 1
1344 1 79 ALA HA 1 81 GLN H . . 5.450 4.479 4.254 4.790 . 0 0 "[ . 1 . 2]" 1
1345 1 79 ALA MB 1 80 GLY H . . 4.160 3.641 3.462 3.748 . 0 0 "[ . 1 . 2]" 1
1346 1 79 ALA MB 1 81 GLN H . . 4.820 3.501 3.046 4.295 . 0 0 "[ . 1 . 2]" 1
1347 1 80 GLY H 1 81 GLN H . . 3.550 2.505 2.448 2.613 . 0 0 "[ . 1 . 2]" 1
1348 1 81 GLN H 1 81 GLN HB2 . . 3.970 2.938 2.165 3.586 . 0 0 "[ . 1 . 2]" 1
1349 1 81 GLN H 1 81 GLN HB3 . . 3.810 2.823 2.260 3.495 . 0 0 "[ . 1 . 2]" 1
1350 1 81 GLN H 1 81 GLN HG2 . . 4.450 4.116 2.997 4.463 0.013 8 0 "[ . 1 . 2]" 1
1351 1 81 GLN H 1 81 GLN HG3 . . 3.980 4.275 3.960 4.457 0.477 19 0 "[ . 1 . 2]" 1
1352 1 81 GLN H 1 82 GLN H . . 5.070 4.364 4.010 4.608 . 0 0 "[ . 1 . 2]" 1
1353 1 81 GLN HA 1 81 GLN HG2 . . 4.030 3.152 2.023 3.845 . 0 0 "[ . 1 . 2]" 1
1354 1 81 GLN HA 1 81 GLN HG3 . . 3.900 3.007 2.726 3.630 . 0 0 "[ . 1 . 2]" 1
1355 1 81 GLN HA 1 82 GLN H . . 3.370 2.246 2.201 2.451 . 0 0 "[ . 1 . 2]" 1
1356 1 81 GLN HB2 1 82 GLN H . . 4.530 4.241 3.959 4.519 . 0 0 "[ . 1 . 2]" 1
1357 1 81 GLN HB3 1 82 GLN H . . 4.880 4.044 2.617 4.541 . 0 0 "[ . 1 . 2]" 1
1358 1 81 GLN HG2 1 82 GLN H . . 4.740 4.014 3.006 4.555 . 0 0 "[ . 1 . 2]" 1
1359 1 81 GLN HG3 1 82 GLN H . . 4.600 3.517 2.630 4.760 0.160 11 0 "[ . 1 . 2]" 1
1360 1 82 GLN H 1 82 GLN HB2 . . 3.320 2.325 2.025 2.700 . 0 0 "[ . 1 . 2]" 1
1361 1 82 GLN H 1 82 GLN HB3 . . 3.710 2.706 2.369 3.197 . 0 0 "[ . 1 . 2]" 1
1362 1 82 GLN H 1 82 GLN HG2 . . 4.800 4.325 3.658 4.602 . 0 0 "[ . 1 . 2]" 1
1363 1 82 GLN H 1 83 ALA H . . 5.500 4.649 4.609 4.674 . 0 0 "[ . 1 . 2]" 1
1364 1 82 GLN HA 1 82 GLN HG2 . . 3.560 3.057 2.038 3.750 0.190 11 0 "[ . 1 . 2]" 1
1365 1 82 GLN HA 1 82 GLN HG3 . . 3.980 2.817 2.421 3.486 . 0 0 "[ . 1 . 2]" 1
1366 1 82 GLN HA 1 83 ALA H . . 3.050 2.386 2.276 2.660 . 0 0 "[ . 1 . 2]" 1
1367 1 82 GLN HA 1 83 ALA MB . . 4.280 3.797 3.661 3.872 . 0 0 "[ . 1 . 2]" 1
1368 1 82 GLN HB2 1 82 GLN HE21 . . 4.700 4.078 2.709 4.662 . 0 0 "[ . 1 . 2]" 1
1369 1 82 GLN HB2 1 83 ALA H . . 4.120 4.078 3.865 4.133 0.013 1 0 "[ . 1 . 2]" 1
1370 1 82 GLN HB3 1 82 GLN HG2 . . 2.890 2.541 2.264 3.030 0.140 15 0 "[ . 1 . 2]" 1
1371 1 82 GLN HB3 1 82 GLN HG3 . . 2.400 2.850 2.657 2.943 0.543 5 6 "[ * + 1 *-*.* 2]" 1
1372 1 82 GLN HB3 1 83 ALA H . . 4.130 3.699 2.583 4.160 0.030 3 0 "[ . 1 . 2]" 1
1373 1 82 GLN HE22 1 82 GLN HG2 . . 4.050 3.796 3.475 4.146 0.096 16 0 "[ . 1 . 2]" 1
1374 1 82 GLN HE22 1 82 GLN HG3 . . 3.990 3.588 3.445 3.846 . 0 0 "[ . 1 . 2]" 1
1375 1 82 GLN HG2 1 83 ALA H . . 4.050 3.151 2.172 3.756 . 0 0 "[ . 1 . 2]" 1
1376 1 82 GLN HG3 1 83 ALA H . . 3.810 2.741 1.952 3.932 0.122 20 0 "[ . 1 . 2]" 1
1377 1 83 ALA H 1 83 ALA MB . . 3.380 2.677 2.501 2.885 . 0 0 "[ . 1 . 2]" 1
1378 1 83 ALA HA 1 84 PHE H . . 3.140 2.520 2.275 2.718 . 0 0 "[ . 1 . 2]" 1
1379 1 83 ALA HA 1 84 PHE QD . . 4.430 3.442 2.439 4.214 . 0 0 "[ . 1 . 2]" 1
1380 1 83 ALA MB 1 84 PHE H . . 3.370 2.478 2.158 3.004 . 0 0 "[ . 1 . 2]" 1
1381 1 83 ALA MB 1 85 PHE QE . . 3.400 3.097 2.683 3.461 0.061 7 0 "[ . 1 . 2]" 1
1382 1 83 ALA MB 1 85 PHE HZ . . 3.550 3.491 3.279 3.582 0.032 8 0 "[ . 1 . 2]" 1
1383 1 84 PHE H 1 84 PHE HB2 . . 3.800 2.521 2.333 2.692 . 0 0 "[ . 1 . 2]" 1
1384 1 84 PHE H 1 84 PHE HB3 . . 4.060 3.664 3.517 3.777 . 0 0 "[ . 1 . 2]" 1
1385 1 84 PHE H 1 84 PHE QD . . 4.020 2.778 2.018 3.524 . 0 0 "[ . 1 . 2]" 1
1386 1 84 PHE H 1 85 PHE H . . 5.360 4.458 4.327 4.606 . 0 0 "[ . 1 . 2]" 1
1387 1 84 PHE HA 1 84 PHE QD . . 3.740 2.839 2.239 3.285 . 0 0 "[ . 1 . 2]" 1
1388 1 84 PHE HA 1 85 PHE H . . 3.230 2.314 2.210 2.530 . 0 0 "[ . 1 . 2]" 1
1389 1 84 PHE HB2 1 85 PHE H . . 4.100 3.974 3.687 4.141 0.041 15 0 "[ . 1 . 2]" 1
1390 1 84 PHE HB3 1 85 PHE H . . 3.990 3.005 2.398 3.426 . 0 0 "[ . 1 . 2]" 1
1391 1 85 PHE H 1 85 PHE HB2 . . 3.690 2.489 2.329 2.683 . 0 0 "[ . 1 . 2]" 1
1392 1 85 PHE H 1 85 PHE HB3 . . 3.980 3.663 3.567 3.775 . 0 0 "[ . 1 . 2]" 1
1393 1 85 PHE H 1 85 PHE QD . . 3.510 3.172 2.781 3.541 0.031 5 0 "[ . 1 . 2]" 1
1394 1 85 PHE HA 1 85 PHE QD . . 4.190 2.711 2.058 2.975 . 0 0 "[ . 1 . 2]" 1
1395 1 85 PHE HA 1 86 ASN H . . 3.080 2.196 2.193 2.202 . 0 0 "[ . 1 . 2]" 1
1396 1 85 PHE HA 1 86 ASN HA . . 4.510 4.345 4.337 4.362 . 0 0 "[ . 1 . 2]" 1
1397 1 85 PHE HB3 1 86 ASN H . . 4.140 3.647 3.476 3.752 . 0 0 "[ . 1 . 2]" 1
1398 1 85 PHE QD 1 86 ASN H . . 4.730 4.202 3.817 4.450 . 0 0 "[ . 1 . 2]" 1
1399 1 86 ASN H 1 86 ASN HB2 . . 3.780 3.268 2.595 3.884 0.104 14 0 "[ . 1 . 2]" 1
1400 1 86 ASN H 1 86 ASN HB3 . . 3.890 3.678 2.782 3.954 0.064 9 0 "[ . 1 . 2]" 1
1401 1 86 ASN HB2 1 87 TYR H . . 3.810 3.494 2.548 3.909 0.099 17 0 "[ . 1 . 2]" 1
1402 1 86 ASN HB3 1 87 TYR H . . 3.610 3.368 2.444 3.842 0.232 20 0 "[ . 1 . 2]" 1
1403 1 87 TYR H 1 87 TYR HB2 . . 3.460 2.420 2.249 2.519 . 0 0 "[ . 1 . 2]" 1
1404 1 87 TYR H 1 87 TYR HB3 . . 4.090 3.459 3.436 3.477 . 0 0 "[ . 1 . 2]" 1
1405 1 87 TYR H 1 87 TYR QD . . 3.770 2.980 2.832 3.140 . 0 0 "[ . 1 . 2]" 1
1406 1 87 TYR H 1 88 SER H . . 4.720 4.633 4.567 4.674 . 0 0 "[ . 1 . 2]" 1
1407 1 87 TYR HA 1 88 SER H . . 3.220 2.255 2.195 2.348 . 0 0 "[ . 1 . 2]" 1
1408 1 87 TYR HB2 1 88 SER H . . 4.480 4.156 3.903 4.345 . 0 0 "[ . 1 . 2]" 1
1409 1 87 TYR HB3 1 88 SER H . . 4.240 3.180 2.853 3.490 . 0 0 "[ . 1 . 2]" 1
1410 1 87 TYR QD 1 88 SER H . . 4.590 3.870 3.771 3.928 . 0 0 "[ . 1 . 2]" 1
1411 1 88 SER H 1 88 SER HB2 . . 3.790 2.678 2.471 2.869 . 0 0 "[ . 1 . 2]" 1
1412 1 88 SER H 1 88 SER HB3 . . 3.650 2.688 2.325 3.731 0.081 4 0 "[ . 1 . 2]" 1
1413 1 88 SER HA 1 89 THR H . . 3.340 2.335 2.216 2.497 . 0 0 "[ . 1 . 2]" 1
1414 1 88 SER HA 1 89 THR MG . . 3.550 3.472 3.225 3.583 0.033 14 0 "[ . 1 . 2]" 1
1415 1 89 THR H 1 89 THR MG . . 3.920 2.036 1.866 2.444 . 0 0 "[ . 1 . 2]" 1
1416 1 89 THR H 1 90 SER H . . 4.260 2.947 2.446 3.608 . 0 0 "[ . 1 . 2]" 1
1417 1 89 THR HA 1 89 THR MG . . 3.120 2.545 2.410 3.232 0.112 15 0 "[ . 1 . 2]" 1
1418 1 89 THR MG 1 90 SER H . . 5.500 3.809 2.168 4.404 . 0 0 "[ . 1 . 2]" 1
1419 1 90 SER H 1 90 SER QB . . 3.450 2.341 2.048 2.932 . 0 0 "[ . 1 . 2]" 1
1420 1 90 SER QB 1 92 ARG H . . 3.660 3.265 2.723 3.604 . 0 0 "[ . 1 . 2]" 1
1421 1 91 LYS H 1 92 ARG H . . 3.970 2.933 2.065 3.825 . 0 0 "[ . 1 . 2]" 1
1422 1 91 LYS HA 1 91 LYS QD . . 3.480 2.349 1.917 3.076 . 0 0 "[ . 1 . 2]" 1
1423 1 91 LYS HA 1 91 LYS QG . . 3.860 2.457 2.004 2.780 . 0 0 "[ . 1 . 2]" 1
1424 1 91 LYS HA 1 92 ARG H . . 3.600 3.628 3.598 3.640 0.040 13 0 "[ . 1 . 2]" 1
1425 1 91 LYS HB2 1 91 LYS QD . . 3.480 2.804 1.977 3.456 . 0 0 "[ . 1 . 2]" 1
1426 1 91 LYS HB2 1 92 ARG H . . 4.360 2.900 2.276 3.628 . 0 0 "[ . 1 . 2]" 1
1427 1 91 LYS HB3 1 92 ARG H . . 4.120 2.946 2.357 3.579 . 0 0 "[ . 1 . 2]" 1
1428 1 91 LYS QD 1 91 LYS QG . . 2.400 2.090 2.058 2.135 . 0 0 "[ . 1 . 2]" 1
1429 1 91 LYS QE 1 91 LYS QG . . 3.290 2.060 1.936 2.257 . 0 0 "[ . 1 . 2]" 1
1430 1 92 ARG H 1 92 ARG HB2 . . 4.170 2.744 2.166 3.766 . 0 0 "[ . 1 . 2]" 1
1431 1 92 ARG H 1 92 ARG HB3 . . 3.270 3.262 2.403 3.765 0.495 18 0 "[ . 1 . 2]" 1
1432 1 92 ARG H 1 92 ARG HG3 . . 4.190 3.544 1.976 4.818 0.628 3 1 "[ + . 1 . 2]" 1
1433 1 92 ARG HA 1 92 ARG HB2 . . 3.000 2.814 2.430 3.061 0.061 18 0 "[ . 1 . 2]" 1
1434 1 92 ARG HA 1 92 ARG HB3 . . 3.020 2.728 2.418 3.061 0.041 3 0 "[ . 1 . 2]" 1
1435 1 92 ARG HA 1 92 ARG QD . . 4.020 3.560 2.142 4.148 0.128 2 0 "[ . 1 . 2]" 1
1436 1 92 ARG HA 1 92 ARG HG2 . . 3.870 3.020 2.209 4.018 0.148 17 0 "[ . 1 . 2]" 1
1437 1 92 ARG HA 1 92 ARG HG3 . . 4.070 2.962 1.991 3.774 . 0 0 "[ . 1 . 2]" 1
1438 1 92 ARG HA 1 93 ILE H . . 3.170 2.396 2.324 2.437 . 0 0 "[ . 1 . 2]" 1
1439 1 92 ARG HB2 1 92 ARG QD . . 2.780 2.495 1.962 3.299 0.519 5 2 "[- + 1 . 2]" 1
1440 1 92 ARG HB2 1 93 ILE H . . 3.990 3.826 2.759 4.167 0.177 13 0 "[ . 1 . 2]" 1
1441 1 92 ARG HB3 1 92 ARG QD . . 3.640 2.612 2.074 3.374 . 0 0 "[ . 1 . 2]" 1
1442 1 92 ARG HB3 1 92 ARG HG2 . . 2.400 2.519 2.265 3.040 0.640 5 4 "[* *+ 1 . - 2]" 1
1443 1 92 ARG HB3 1 93 ILE H . . 4.000 3.254 2.695 4.084 0.084 7 0 "[ . 1 . 2]" 1
1444 1 92 ARG QD 1 92 ARG HG2 . . 2.780 2.349 2.183 2.573 . 0 0 "[ . 1 . 2]" 1
1445 1 92 ARG HG3 1 93 ILE H . . 5.010 4.082 1.941 5.340 0.330 18 0 "[ . 1 . 2]" 1
1446 1 93 ILE H 1 93 ILE HB . . 3.250 2.484 2.274 2.794 . 0 0 "[ . 1 . 2]" 1
1447 1 93 ILE H 1 93 ILE MD . . 4.340 3.597 3.414 3.847 . 0 0 "[ . 1 . 2]" 1
1448 1 93 ILE H 1 93 ILE HG12 . . 3.630 3.334 3.121 3.591 . 0 0 "[ . 1 . 2]" 1
1449 1 93 ILE H 1 93 ILE HG13 . . 3.550 2.139 1.957 2.442 . 0 0 "[ . 1 . 2]" 1
1450 1 93 ILE H 1 93 ILE MG . . 4.390 3.743 3.672 3.855 . 0 0 "[ . 1 . 2]" 1
1451 1 93 ILE H 1 94 THR H . . 4.850 4.574 4.417 4.642 . 0 0 "[ . 1 . 2]" 1
1452 1 93 ILE HA 1 93 ILE MD . . 4.120 3.824 3.743 3.911 . 0 0 "[ . 1 . 2]" 1
1453 1 93 ILE HA 1 93 ILE HG12 . . 3.770 2.574 2.431 2.800 . 0 0 "[ . 1 . 2]" 1
1454 1 93 ILE HA 1 93 ILE HG13 . . 4.170 3.122 2.894 3.330 . 0 0 "[ . 1 . 2]" 1
1455 1 93 ILE HA 1 93 ILE MG . . 2.950 2.405 2.165 2.511 . 0 0 "[ . 1 . 2]" 1
1456 1 93 ILE HB 1 93 ILE MD . . 2.870 2.402 2.284 2.503 . 0 0 "[ . 1 . 2]" 1
1457 1 93 ILE MD 1 93 ILE MG . . 2.400 1.998 1.877 2.178 . 0 0 "[ . 1 . 2]" 1
1458 1 93 ILE HG12 1 93 ILE MG . . 3.600 2.386 2.257 2.488 . 0 0 "[ . 1 . 2]" 1
1459 1 93 ILE MG 1 94 THR H . . 4.480 2.314 1.981 2.715 . 0 0 "[ . 1 . 2]" 1
1460 1 93 ILE MG 1 94 THR HB . . 4.700 3.841 3.556 4.685 . 0 0 "[ . 1 . 2]" 1
1461 1 94 THR H 1 94 THR HB . . 3.990 2.447 2.269 3.476 . 0 0 "[ . 1 . 2]" 1
1462 1 94 THR HA 1 94 THR MG . . 2.790 2.385 2.264 2.468 . 0 0 "[ . 1 . 2]" 1
1463 1 94 THR HA 1 95 ARG H . . 3.010 2.177 2.159 2.230 . 0 0 "[ . 1 . 2]" 1
1464 1 94 THR HB 1 95 ARG H . . 4.300 4.236 3.166 4.329 0.029 8 0 "[ . 1 . 2]" 1
1465 1 94 THR MG 1 95 ARG H . . 3.910 2.729 2.297 3.771 . 0 0 "[ . 1 . 2]" 1
1466 1 95 ARG H 1 95 ARG QB . . 3.560 2.293 2.107 2.379 . 0 0 "[ . 1 . 2]" 1
1467 1 95 ARG H 1 95 ARG QD . . 5.120 4.061 2.095 4.608 . 0 0 "[ . 1 . 2]" 1
1468 1 95 ARG H 1 95 ARG HG2 . . 3.970 2.996 2.518 4.097 0.127 13 0 "[ . 1 . 2]" 1
1469 1 95 ARG H 1 95 ARG HG3 . . 4.000 3.721 3.214 4.190 0.190 13 0 "[ . 1 . 2]" 1
1470 1 95 ARG HA 1 95 ARG QD . . 3.970 2.424 1.946 3.417 . 0 0 "[ . 1 . 2]" 1
1471 1 95 ARG HA 1 95 ARG HG2 . . 4.260 2.754 2.243 3.911 . 0 0 "[ . 1 . 2]" 1
1472 1 95 ARG HA 1 95 ARG HG3 . . 4.000 3.559 2.463 3.727 . 0 0 "[ . 1 . 2]" 1
1473 1 95 ARG HA 1 96 PRO HD2 . . 3.410 2.758 2.579 2.837 . 0 0 "[ . 1 . 2]" 1
1474 1 95 ARG HA 1 96 PRO HD3 . . 2.970 2.041 1.965 2.086 . 0 0 "[ . 1 . 2]" 1
1475 1 95 ARG QB 1 96 PRO HD2 . . 3.280 2.190 1.992 3.240 . 0 0 "[ . 1 . 2]" 1
1476 1 95 ARG QB 1 96 PRO HD3 . . 3.590 3.160 3.006 3.672 0.082 13 0 "[ . 1 . 2]" 1
1477 1 95 ARG QD 1 96 PRO HD2 . . 4.260 2.583 2.119 3.945 . 0 0 "[ . 1 . 2]" 1
1478 1 95 ARG QD 1 96 PRO HD3 . . 3.770 2.901 2.336 3.706 . 0 0 "[ . 1 . 2]" 1
1479 1 95 ARG HG2 1 96 PRO HD2 . . 4.200 4.242 3.633 4.699 0.499 11 0 "[ . 1 . 2]" 1
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