NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
470060 |
2aj0   |
6811 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2aj0
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 1241
_Distance_constraint_stats_list.Viol_count 852
_Distance_constraint_stats_list.Viol_total 1020.635
_Distance_constraint_stats_list.Viol_max 1.480
_Distance_constraint_stats_list.Viol_rms 0.0233
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0021
_Distance_constraint_stats_list.Viol_average_violations_only 0.0599
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 GLU 0.027 0.027 16 0 "[ . 1 . 2]"
1 4 LYS 0.060 0.027 16 0 "[ . 1 . 2]"
1 5 THR 0.494 0.066 7 0 "[ . 1 . 2]"
1 6 VAL 1.982 0.125 6 0 "[ . 1 . 2]"
1 7 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 ARG 0.948 0.116 9 0 "[ . 1 . 2]"
1 9 VAL 1.825 0.195 18 0 "[ . 1 . 2]"
1 10 ASP 1.733 0.116 13 0 "[ . 1 . 2]"
1 11 GLY 0.419 0.113 7 0 "[ . 1 . 2]"
1 12 LEU 0.712 0.113 7 0 "[ . 1 . 2]"
1 13 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 CYS 0.228 0.047 17 0 "[ . 1 . 2]"
1 15 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ASN 1.346 0.100 14 0 "[ . 1 . 2]"
1 17 CYS 0.791 0.088 2 0 "[ . 1 . 2]"
1 18 ALA 0.075 0.023 7 0 "[ . 1 . 2]"
1 19 ALA 0.616 0.088 2 0 "[ . 1 . 2]"
1 20 LYS 0.411 0.056 11 0 "[ . 1 . 2]"
1 21 PHE 0.318 0.058 8 0 "[ . 1 . 2]"
1 22 GLU 0.978 0.184 12 0 "[ . 1 . 2]"
1 23 ARG 2.362 0.107 8 0 "[ . 1 . 2]"
1 24 ASN 1.433 0.089 13 0 "[ . 1 . 2]"
1 25 VAL 1.486 0.213 3 0 "[ . 1 . 2]"
1 26 LYS 2.881 0.107 8 0 "[ . 1 . 2]"
1 27 GLU 0.084 0.032 17 0 "[ . 1 . 2]"
1 28 ILE 3.921 0.228 14 0 "[ . 1 . 2]"
1 29 GLU 6.682 0.228 14 0 "[ . 1 . 2]"
1 30 GLY 1.279 0.125 14 0 "[ . 1 . 2]"
1 31 VAL 0.363 0.075 10 0 "[ . 1 . 2]"
1 32 THR 0.502 0.076 9 0 "[ . 1 . 2]"
1 33 GLU 3.466 0.192 9 0 "[ . 1 . 2]"
1 34 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ILE 1.726 0.130 13 0 "[ . 1 . 2]"
1 36 VAL 1.091 0.184 12 0 "[ . 1 . 2]"
1 37 ASN 0.134 0.040 12 0 "[ . 1 . 2]"
1 38 PHE 0.010 0.010 7 0 "[ . 1 . 2]"
1 39 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 ALA 0.330 0.058 19 0 "[ . 1 . 2]"
1 41 SER 1.709 0.195 18 0 "[ . 1 . 2]"
1 42 LYS 0.885 0.085 8 0 "[ . 1 . 2]"
1 43 ILE 1.019 0.116 9 0 "[ . 1 . 2]"
1 44 THR 0.052 0.021 10 0 "[ . 1 . 2]"
1 45 VAL 1.601 0.130 13 0 "[ . 1 . 2]"
1 46 THR 1.107 0.066 7 0 "[ . 1 . 2]"
1 47 GLY 3.206 0.162 4 0 "[ . 1 . 2]"
1 48 GLU 1.514 0.107 7 0 "[ . 1 . 2]"
1 49 ALA 0.082 0.022 7 0 "[ . 1 . 2]"
1 50 SER 1.168 0.061 4 0 "[ . 1 . 2]"
1 51 ILE 0.913 0.067 17 0 "[ . 1 . 2]"
1 52 GLN 0.690 0.043 4 0 "[ . 1 . 2]"
1 53 GLN 1.226 0.061 4 0 "[ . 1 . 2]"
1 54 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 GLU 0.549 0.067 17 0 "[ . 1 . 2]"
1 56 GLN 0.051 0.021 2 0 "[ . 1 . 2]"
1 57 ALA 1.345 0.089 13 0 "[ . 1 . 2]"
1 58 GLY 1.774 0.122 19 0 "[ . 1 . 2]"
1 59 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 PHE 0.215 0.058 8 0 "[ . 1 . 2]"
1 61 GLU 11.577 1.480 12 8 "[ *.* 1*+ *** -]"
1 62 HIS 12.234 1.480 12 8 "[ *.* 1*+ *** -]"
1 63 LEU 1.971 0.122 19 0 "[ . 1 . 2]"
1 64 LYS 3.375 0.173 3 0 "[ . 1 . 2]"
1 65 ILE 2.210 0.173 3 0 "[ . 1 . 2]"
1 66 ILE 0.235 0.058 1 0 "[ . 1 . 2]"
1 67 PRO 0.050 0.029 8 0 "[ . 1 . 2]"
1 68 GLU 0.817 0.165 16 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 GLU H 1 3 GLU QB . . 3.600 2.644 2.062 3.259 . 0 0 "[ . 1 . 2]" 1
2 1 3 GLU HA 1 4 LYS H . . 3.100 2.523 2.083 3.127 0.027 16 0 "[ . 1 . 2]" 1
3 1 4 LYS H 1 4 LYS QB . . 3.910 2.999 2.526 3.408 . 0 0 "[ . 1 . 2]" 1
4 1 4 LYS H 1 5 THR H . . 4.700 4.429 3.878 4.689 . 0 0 "[ . 1 . 2]" 1
5 1 4 LYS HA 1 5 THR H . . 2.900 2.326 2.240 2.479 . 0 0 "[ . 1 . 2]" 1
6 1 4 LYS HA 1 45 VAL H . . 5.200 4.773 4.582 4.947 . 0 0 "[ . 1 . 2]" 1
7 1 4 LYS HA 1 46 THR HA . . 3.700 2.222 2.112 2.450 . 0 0 "[ . 1 . 2]" 1
8 1 4 LYS HA 1 46 THR HB . . 5.400 4.749 4.424 5.413 0.013 9 0 "[ . 1 . 2]" 1
9 1 4 LYS HA 1 46 THR MG . . 6.100 3.270 2.898 3.965 . 0 0 "[ . 1 . 2]" 1
10 1 4 LYS HA 1 47 GLY H . . 3.700 3.520 3.111 3.719 0.019 12 0 "[ . 1 . 2]" 1
11 1 4 LYS QB 1 5 THR H . . 5.150 2.911 2.418 3.417 . 0 0 "[ . 1 . 2]" 1
12 1 4 LYS QB 1 6 VAL H . . 6.880 5.793 5.395 6.135 . 0 0 "[ . 1 . 2]" 1
13 1 4 LYS QB 1 45 VAL H . . 6.880 4.759 4.091 5.405 . 0 0 "[ . 1 . 2]" 1
14 1 4 LYS QB 1 46 THR HA . . 5.090 3.107 2.279 3.511 . 0 0 "[ . 1 . 2]" 1
15 1 4 LYS QB 1 47 GLY H . . 6.880 4.266 3.580 4.811 . 0 0 "[ . 1 . 2]" 1
16 1 4 LYS HB2 1 5 THR H . . 6.000 2.984 2.445 3.561 . 0 0 "[ . 1 . 2]" 1
17 1 4 LYS HB2 1 46 THR HA . . 5.500 3.711 2.543 4.389 . 0 0 "[ . 1 . 2]" 1
18 1 4 LYS HB2 1 46 THR MG . . 5.100 3.436 2.907 3.814 . 0 0 "[ . 1 . 2]" 1
19 1 4 LYS HB3 1 5 THR H . . 6.000 4.093 3.813 4.401 . 0 0 "[ . 1 . 2]" 1
20 1 4 LYS HB3 1 46 THR HA . . 5.500 3.354 2.573 3.726 . 0 0 "[ . 1 . 2]" 1
21 1 4 LYS HB3 1 46 THR MG . . 5.100 2.375 2.231 2.632 . 0 0 "[ . 1 . 2]" 1
22 1 4 LYS QG 1 5 THR H . . 7.000 4.090 3.498 4.650 . 0 0 "[ . 1 . 2]" 1
23 1 4 LYS QG 1 46 THR HA . . 6.600 4.926 4.387 5.119 . 0 0 "[ . 1 . 2]" 1
24 1 5 THR H 1 5 THR HB . . 3.800 2.981 2.883 3.088 . 0 0 "[ . 1 . 2]" 1
25 1 5 THR H 1 6 VAL H . . 4.700 4.299 4.208 4.378 . 0 0 "[ . 1 . 2]" 1
26 1 5 THR H 1 44 THR MG . . 6.100 3.329 2.937 3.616 . 0 0 "[ . 1 . 2]" 1
27 1 5 THR H 1 45 VAL H . . 3.300 2.961 2.795 3.081 . 0 0 "[ . 1 . 2]" 1
28 1 5 THR H 1 45 VAL HB . . 6.000 3.744 3.127 4.115 . 0 0 "[ . 1 . 2]" 1
29 1 5 THR H 1 45 VAL MG1 . . 7.000 3.836 3.550 4.451 . 0 0 "[ . 1 . 2]" 1
30 1 5 THR H 1 45 VAL MG2 . . 7.000 5.030 4.582 5.302 . 0 0 "[ . 1 . 2]" 1
31 1 5 THR H 1 46 THR HA . . 3.600 3.617 3.511 3.666 0.066 7 0 "[ . 1 . 2]" 1
32 1 5 THR HA 1 6 VAL H . . 2.700 2.284 2.168 2.403 . 0 0 "[ . 1 . 2]" 1
33 1 5 THR HB 1 6 VAL H . . 5.200 3.907 3.773 4.079 . 0 0 "[ . 1 . 2]" 1
34 1 5 THR HB 1 45 VAL H . . 6.000 4.253 3.954 4.497 . 0 0 "[ . 1 . 2]" 1
35 1 5 THR MG 1 6 VAL H . . 4.100 2.267 2.096 2.497 . 0 0 "[ . 1 . 2]" 1
36 1 5 THR MG 1 6 VAL HA . . 5.600 3.372 3.235 3.536 . 0 0 "[ . 1 . 2]" 1
37 1 5 THR MG 1 7 TYR QE . . 6.600 2.791 2.319 2.929 . 0 0 "[ . 1 . 2]" 1
38 1 5 THR MG 1 45 VAL H . . 7.000 4.747 4.627 4.903 . 0 0 "[ . 1 . 2]" 1
39 1 6 VAL H 1 6 VAL HB . . 3.200 3.297 3.263 3.325 0.125 6 0 "[ . 1 . 2]" 1
40 1 6 VAL H 1 6 VAL MG1 . . 4.800 2.285 2.197 2.350 . 0 0 "[ . 1 . 2]" 1
41 1 6 VAL H 1 6 VAL QG . . 4.180 2.269 2.184 2.331 . 0 0 "[ . 1 . 2]" 1
42 1 6 VAL H 1 6 VAL MG2 . . 4.800 3.848 3.796 3.879 . 0 0 "[ . 1 . 2]" 1
43 1 6 VAL H 1 7 TYR H . . 4.900 4.331 4.286 4.365 . 0 0 "[ . 1 . 2]" 1
44 1 6 VAL HA 1 7 TYR H . . 2.900 2.201 2.119 2.272 . 0 0 "[ . 1 . 2]" 1
45 1 6 VAL HA 1 44 THR HA . . 2.700 2.182 2.119 2.313 . 0 0 "[ . 1 . 2]" 1
46 1 6 VAL HA 1 44 THR MG . . 5.000 3.632 3.422 3.871 . 0 0 "[ . 1 . 2]" 1
47 1 6 VAL HA 1 45 VAL H . . 3.200 3.155 3.087 3.226 0.026 17 0 "[ . 1 . 2]" 1
48 1 6 VAL HB 1 7 TYR H . . 5.000 3.867 3.805 3.958 . 0 0 "[ . 1 . 2]" 1
49 1 6 VAL HB 1 44 THR HA . . 4.000 2.360 2.202 2.528 . 0 0 "[ . 1 . 2]" 1
50 1 6 VAL HB 1 44 THR MG . . 6.300 2.507 2.206 2.842 . 0 0 "[ . 1 . 2]" 1
51 1 6 VAL QG 1 7 TYR H . . 4.610 2.345 2.177 2.511 . 0 0 "[ . 1 . 2]" 1
52 1 6 VAL QG 1 8 ARG H . . 8.560 4.684 4.538 4.900 . 0 0 "[ . 1 . 2]" 1
53 1 6 VAL QG 1 43 ILE H . . 6.160 2.760 2.270 3.158 . 0 0 "[ . 1 . 2]" 1
54 1 6 VAL QG 1 44 THR HB . . 5.700 3.994 3.798 4.227 . 0 0 "[ . 1 . 2]" 1
55 1 6 VAL QG 1 44 THR MG . . 5.190 3.150 2.921 3.357 . 0 0 "[ . 1 . 2]" 1
56 1 6 VAL MG1 1 7 TYR H . . 5.600 4.095 3.982 4.192 . 0 0 "[ . 1 . 2]" 1
57 1 6 VAL MG1 1 44 THR HB . . 6.200 5.235 5.225 5.248 . 0 0 "[ . 1 . 2]" 1
58 1 6 VAL MG1 1 44 THR MG . . 5.800 3.443 3.112 3.743 . 0 0 "[ . 1 . 2]" 1
59 1 6 VAL MG2 1 7 TYR H . . 5.600 2.359 2.187 2.532 . 0 0 "[ . 1 . 2]" 1
60 1 6 VAL MG2 1 44 THR HB . . 6.200 4.148 3.899 4.458 . 0 0 "[ . 1 . 2]" 1
61 1 6 VAL MG2 1 44 THR MG . . 5.800 3.663 3.456 4.028 . 0 0 "[ . 1 . 2]" 1
62 1 7 TYR H 1 7 TYR QE . . 7.000 4.639 4.415 4.791 . 0 0 "[ . 1 . 2]" 1
63 1 7 TYR H 1 8 ARG H . . 5.700 4.464 4.417 4.524 . 0 0 "[ . 1 . 2]" 1
64 1 7 TYR H 1 42 LYS QB . . 6.880 3.797 3.299 4.770 . 0 0 "[ . 1 . 2]" 1
65 1 7 TYR H 1 43 ILE H . . 3.100 2.891 2.735 3.039 . 0 0 "[ . 1 . 2]" 1
66 1 7 TYR H 1 43 ILE HB . . 6.000 5.252 5.115 5.403 . 0 0 "[ . 1 . 2]" 1
67 1 7 TYR H 1 43 ILE MG . . 6.600 2.913 2.692 3.126 . 0 0 "[ . 1 . 2]" 1
68 1 7 TYR H 1 44 THR HA . . 3.700 3.539 3.430 3.689 . 0 0 "[ . 1 . 2]" 1
69 1 7 TYR H 1 65 ILE MG . . 7.000 4.212 4.053 4.334 . 0 0 "[ . 1 . 2]" 1
70 1 7 TYR HA 1 8 ARG H . . 2.900 2.374 2.296 2.486 . 0 0 "[ . 1 . 2]" 1
71 1 7 TYR HA 1 65 ILE MG . . 7.000 3.932 3.715 4.098 . 0 0 "[ . 1 . 2]" 1
72 1 7 TYR HA 1 67 PRO HA . . 6.000 2.718 2.473 3.024 . 0 0 "[ . 1 . 2]" 1
73 1 7 TYR HA 1 68 GLU H . . 3.000 2.597 2.140 2.969 . 0 0 "[ . 1 . 2]" 1
74 1 7 TYR QB 1 8 ARG H . . 3.920 2.778 2.520 3.034 . 0 0 "[ . 1 . 2]" 1
75 1 7 TYR QB 1 43 ILE MG . . 5.310 2.213 2.091 2.359 . 0 0 "[ . 1 . 2]" 1
76 1 7 TYR QB 1 54 VAL QG . . 8.520 4.920 4.767 5.102 . 0 0 "[ . 1 . 2]" 1
77 1 7 TYR QB 1 65 ILE MG . . 4.530 1.943 1.867 2.048 . 0 0 "[ . 1 . 2]" 1
78 1 7 TYR QB 1 66 ILE H . . 5.690 3.531 3.160 4.033 . 0 0 "[ . 1 . 2]" 1
79 1 7 TYR QB 1 67 PRO HA . . 6.880 2.944 2.235 3.189 . 0 0 "[ . 1 . 2]" 1
80 1 7 TYR HB2 1 8 ARG H . . 4.400 3.766 3.543 3.977 . 0 0 "[ . 1 . 2]" 1
81 1 7 TYR HB2 1 43 ILE H . . 6.000 3.871 3.615 4.135 . 0 0 "[ . 1 . 2]" 1
82 1 7 TYR HB2 1 43 ILE MD . . 7.000 3.848 3.255 4.658 . 0 0 "[ . 1 . 2]" 1
83 1 7 TYR HB2 1 43 ILE MG . . 5.900 2.233 2.107 2.384 . 0 0 "[ . 1 . 2]" 1
84 1 7 TYR HB2 1 54 VAL MG1 . . 10.120 5.638 5.425 5.829 . 0 0 "[ . 1 . 2]" 1
85 1 7 TYR HB2 1 54 VAL MG2 . . 10.120 6.027 5.846 6.303 . 0 0 "[ . 1 . 2]" 1
86 1 7 TYR HB2 1 65 ILE MD . . 7.000 4.099 3.751 4.349 . 0 0 "[ . 1 . 2]" 1
87 1 7 TYR HB2 1 65 ILE MG . . 5.000 2.218 2.106 2.324 . 0 0 "[ . 1 . 2]" 1
88 1 7 TYR HB2 1 66 ILE H . . 6.000 4.729 4.299 5.151 . 0 0 "[ . 1 . 2]" 1
89 1 7 TYR HB3 1 8 ARG H . . 4.400 2.862 2.579 3.147 . 0 0 "[ . 1 . 2]" 1
90 1 7 TYR HB3 1 43 ILE H . . 6.000 5.130 4.944 5.314 . 0 0 "[ . 1 . 2]" 1
91 1 7 TYR HB3 1 43 ILE MD . . 7.000 5.307 4.685 5.964 . 0 0 "[ . 1 . 2]" 1
92 1 7 TYR HB3 1 43 ILE MG . . 5.900 3.636 3.513 3.758 . 0 0 "[ . 1 . 2]" 1
93 1 7 TYR HB3 1 54 VAL MG1 . . 10.120 6.757 6.518 6.987 . 0 0 "[ . 1 . 2]" 1
94 1 7 TYR HB3 1 54 VAL MG2 . . 10.120 7.093 6.896 7.345 . 0 0 "[ . 1 . 2]" 1
95 1 7 TYR HB3 1 65 ILE MD . . 7.000 4.802 4.369 5.068 . 0 0 "[ . 1 . 2]" 1
96 1 7 TYR HB3 1 65 ILE MG . . 5.000 2.152 2.056 2.341 . 0 0 "[ . 1 . 2]" 1
97 1 7 TYR HB3 1 66 ILE H . . 6.000 3.647 3.252 4.271 . 0 0 "[ . 1 . 2]" 1
98 1 7 TYR QD 1 8 ARG H . . 8.000 4.476 4.295 4.662 . 0 0 "[ . 1 . 2]" 1
99 1 7 TYR QD 1 43 ILE H . . 8.000 4.670 4.375 4.843 . 0 0 "[ . 1 . 2]" 1
100 1 7 TYR QD 1 43 ILE MD . . 8.200 3.233 2.294 5.015 . 0 0 "[ . 1 . 2]" 1
101 1 7 TYR QD 1 43 ILE QG . . 8.880 5.006 4.017 5.481 . 0 0 "[ . 1 . 2]" 1
102 1 7 TYR QD 1 43 ILE MG . . 6.600 2.984 2.224 3.217 . 0 0 "[ . 1 . 2]" 1
103 1 7 TYR QD 1 44 THR HA . . 7.600 3.922 3.681 4.256 . 0 0 "[ . 1 . 2]" 1
104 1 7 TYR QD 1 45 VAL H . . 8.000 4.144 3.911 4.481 . 0 0 "[ . 1 . 2]" 1
105 1 7 TYR QD 1 45 VAL HB . . 7.500 3.745 3.374 4.081 . 0 0 "[ . 1 . 2]" 1
106 1 7 TYR QD 1 45 VAL QG . . 8.960 3.397 2.531 4.169 . 0 0 "[ . 1 . 2]" 1
107 1 7 TYR QD 1 51 ILE HB . . 8.000 3.043 2.831 3.519 . 0 0 "[ . 1 . 2]" 1
108 1 7 TYR QD 1 51 ILE HG12 . . 7.700 3.849 3.309 4.401 . 0 0 "[ . 1 . 2]" 1
109 1 7 TYR QD 1 51 ILE QG . . 7.400 3.574 3.125 4.126 . 0 0 "[ . 1 . 2]" 1
110 1 7 TYR QD 1 51 ILE HG13 . . 7.700 4.520 3.453 5.091 . 0 0 "[ . 1 . 2]" 1
111 1 7 TYR QD 1 51 ILE MG . . 8.000 2.943 2.612 4.417 . 0 0 "[ . 1 . 2]" 1
112 1 7 TYR QD 1 54 VAL MG1 . . 7.700 5.525 4.689 5.719 . 0 0 "[ . 1 . 2]" 1
113 1 7 TYR QD 1 54 VAL QG . . 7.290 4.721 4.047 4.826 . 0 0 "[ . 1 . 2]" 1
114 1 7 TYR QD 1 54 VAL MG2 . . 7.700 5.128 4.424 5.326 . 0 0 "[ . 1 . 2]" 1
115 1 7 TYR QD 1 65 ILE HB . . 7.100 4.800 4.475 5.504 . 0 0 "[ . 1 . 2]" 1
116 1 7 TYR QD 1 65 ILE MG . . 7.200 3.443 3.197 3.603 . 0 0 "[ . 1 . 2]" 1
117 1 7 TYR QD 1 66 ILE H . . 8.000 5.016 4.671 6.185 . 0 0 "[ . 1 . 2]" 1
118 1 7 TYR QD 1 67 PRO HA . . 5.700 2.318 2.104 2.434 . 0 0 "[ . 1 . 2]" 1
119 1 7 TYR QD 1 67 PRO HB2 . . 8.000 3.847 3.020 4.036 . 0 0 "[ . 1 . 2]" 1
120 1 7 TYR QD 1 67 PRO QB . . 7.560 2.349 2.275 2.518 . 0 0 "[ . 1 . 2]" 1
121 1 7 TYR QD 1 67 PRO HB3 . . 8.000 2.376 2.292 2.670 . 0 0 "[ . 1 . 2]" 1
122 1 7 TYR QD 1 67 PRO HD2 . . 7.500 4.536 4.312 5.753 . 0 0 "[ . 1 . 2]" 1
123 1 7 TYR QD 1 67 PRO HD3 . . 7.500 3.171 2.842 4.916 . 0 0 "[ . 1 . 2]" 1
124 1 7 TYR QD 1 67 PRO HG2 . . 8.000 4.766 4.649 5.029 . 0 0 "[ . 1 . 2]" 1
125 1 7 TYR QD 1 67 PRO HG3 . . 8.000 4.134 3.908 4.934 . 0 0 "[ . 1 . 2]" 1
126 1 7 TYR QD 1 68 GLU H . . 8.000 4.310 3.771 4.504 . 0 0 "[ . 1 . 2]" 1
127 1 7 TYR QE 1 8 ARG H . . 8.000 6.553 6.388 6.743 . 0 0 "[ . 1 . 2]" 1
128 1 7 TYR QE 1 43 ILE MD . . 8.400 4.219 3.021 6.174 . 0 0 "[ . 1 . 2]" 1
129 1 7 TYR QE 1 43 ILE QG . . 8.880 6.227 5.210 6.722 . 0 0 "[ . 1 . 2]" 1
130 1 7 TYR QE 1 43 ILE MG . . 8.900 4.796 4.206 4.977 . 0 0 "[ . 1 . 2]" 1
131 1 7 TYR QE 1 44 THR HA . . 8.000 4.927 4.551 5.351 . 0 0 "[ . 1 . 2]" 1
132 1 7 TYR QE 1 45 VAL H . . 8.000 4.001 3.601 4.540 . 0 0 "[ . 1 . 2]" 1
133 1 7 TYR QE 1 45 VAL HB . . 6.100 2.481 2.268 3.024 . 0 0 "[ . 1 . 2]" 1
134 1 7 TYR QE 1 45 VAL QG . . 9.160 2.809 2.223 3.446 . 0 0 "[ . 1 . 2]" 1
135 1 7 TYR QE 1 51 ILE HB . . 6.800 3.072 2.898 3.356 . 0 0 "[ . 1 . 2]" 1
136 1 7 TYR QE 1 51 ILE HG12 . . 6.900 4.736 3.985 5.121 . 0 0 "[ . 1 . 2]" 1
137 1 7 TYR QE 1 51 ILE QG . . 6.740 4.358 3.761 4.723 . 0 0 "[ . 1 . 2]" 1
138 1 7 TYR QE 1 51 ILE HG13 . . 6.900 5.140 4.425 5.614 . 0 0 "[ . 1 . 2]" 1
139 1 7 TYR QE 1 51 ILE MG . . 8.100 2.996 2.591 4.208 . 0 0 "[ . 1 . 2]" 1
140 1 7 TYR QE 1 54 VAL QG . . 10.560 4.678 3.619 4.905 . 0 0 "[ . 1 . 2]" 1
141 1 7 TYR QE 1 65 ILE HB . . 7.900 6.253 5.916 6.719 . 0 0 "[ . 1 . 2]" 1
142 1 7 TYR QE 1 65 ILE MG . . 9.000 4.989 4.758 5.205 . 0 0 "[ . 1 . 2]" 1
143 1 7 TYR QE 1 67 PRO HA . . 6.800 3.975 3.654 4.248 . 0 0 "[ . 1 . 2]" 1
144 1 7 TYR QE 1 67 PRO HB2 . . 8.000 4.020 3.410 4.439 . 0 0 "[ . 1 . 2]" 1
145 1 7 TYR QE 1 67 PRO QB . . 7.470 2.518 2.321 2.970 . 0 0 "[ . 1 . 2]" 1
146 1 7 TYR QE 1 67 PRO HB3 . . 8.000 2.555 2.337 3.259 . 0 0 "[ . 1 . 2]" 1
147 1 7 TYR QE 1 67 PRO QD . . 6.980 4.212 3.830 5.555 . 0 0 "[ . 1 . 2]" 1
148 1 7 TYR QE 1 67 PRO HG2 . . 8.000 5.328 5.068 5.726 . 0 0 "[ . 1 . 2]" 1
149 1 7 TYR QE 1 67 PRO HG3 . . 8.000 4.163 3.725 5.146 . 0 0 "[ . 1 . 2]" 1
150 1 8 ARG H 1 8 ARG HB2 . . 4.000 2.371 2.186 2.554 . 0 0 "[ . 1 . 2]" 1
151 1 8 ARG H 1 8 ARG HB3 . . 4.000 3.374 2.691 3.713 . 0 0 "[ . 1 . 2]" 1
152 1 8 ARG H 1 8 ARG HG2 . . 4.700 4.052 2.908 4.545 . 0 0 "[ . 1 . 2]" 1
153 1 8 ARG H 1 8 ARG QG . . 4.280 3.289 2.569 3.900 . 0 0 "[ . 1 . 2]" 1
154 1 8 ARG H 1 8 ARG HG3 . . 4.700 3.568 2.630 4.291 . 0 0 "[ . 1 . 2]" 1
155 1 8 ARG H 1 9 VAL H . . 4.700 4.544 4.368 4.637 . 0 0 "[ . 1 . 2]" 1
156 1 8 ARG H 1 65 ILE MG . . 7.000 3.294 2.967 3.614 . 0 0 "[ . 1 . 2]" 1
157 1 8 ARG H 1 66 ILE H . . 3.400 3.119 2.936 3.404 0.004 4 0 "[ . 1 . 2]" 1
158 1 8 ARG H 1 66 ILE HB . . 5.700 3.763 3.351 4.262 . 0 0 "[ . 1 . 2]" 1
159 1 8 ARG H 1 66 ILE MD . . 6.500 5.294 4.634 5.813 . 0 0 "[ . 1 . 2]" 1
160 1 8 ARG H 1 67 PRO HA . . 3.900 3.753 3.465 3.929 0.029 8 0 "[ . 1 . 2]" 1
161 1 8 ARG H 1 68 GLU H . . 4.200 2.918 2.507 3.322 . 0 0 "[ . 1 . 2]" 1
162 1 8 ARG H 1 68 GLU HA . . 5.100 4.890 4.175 5.147 0.047 17 0 "[ . 1 . 2]" 1
163 1 8 ARG HA 1 9 VAL H . . 2.700 2.233 2.147 2.334 . 0 0 "[ . 1 . 2]" 1
164 1 8 ARG HA 1 42 LYS HA . . 3.600 2.334 2.125 2.476 . 0 0 "[ . 1 . 2]" 1
165 1 8 ARG HA 1 43 ILE H . . 3.500 3.525 3.364 3.616 0.116 9 0 "[ . 1 . 2]" 1
166 1 8 ARG QB 1 42 LYS HA . . 6.880 4.390 4.049 4.630 . 0 0 "[ . 1 . 2]" 1
167 1 8 ARG HB2 1 9 VAL H . . 5.700 4.334 3.965 4.561 . 0 0 "[ . 1 . 2]" 1
168 1 8 ARG HB2 1 66 ILE H . . 6.000 3.837 3.222 4.663 . 0 0 "[ . 1 . 2]" 1
169 1 8 ARG HB3 1 9 VAL H . . 5.700 3.408 2.743 4.056 . 0 0 "[ . 1 . 2]" 1
170 1 8 ARG HB3 1 66 ILE H . . 6.000 4.074 3.145 4.801 . 0 0 "[ . 1 . 2]" 1
171 1 8 ARG QG 1 9 VAL H . . 5.690 3.577 2.405 4.567 . 0 0 "[ . 1 . 2]" 1
172 1 8 ARG HG2 1 9 VAL H . . 6.000 3.772 2.453 4.913 . 0 0 "[ . 1 . 2]" 1
173 1 8 ARG HG3 1 9 VAL H . . 6.000 4.609 3.465 5.547 . 0 0 "[ . 1 . 2]" 1
174 1 9 VAL H 1 9 VAL HB . . 3.700 3.324 3.139 3.553 . 0 0 "[ . 1 . 2]" 1
175 1 9 VAL H 1 9 VAL MG1 . . 4.800 2.158 1.962 2.490 . 0 0 "[ . 1 . 2]" 1
176 1 9 VAL H 1 9 VAL MG2 . . 4.800 3.810 3.708 3.928 . 0 0 "[ . 1 . 2]" 1
177 1 9 VAL H 1 10 ASP H . . 4.600 4.448 4.241 4.574 . 0 0 "[ . 1 . 2]" 1
178 1 9 VAL H 1 41 SER H . . 4.600 4.450 3.884 4.795 0.195 18 0 "[ . 1 . 2]" 1
179 1 9 VAL H 1 42 LYS HA . . 3.100 2.469 2.087 3.133 0.033 11 0 "[ . 1 . 2]" 1
180 1 9 VAL HA 1 10 ASP H . . 3.200 2.242 2.137 2.308 . 0 0 "[ . 1 . 2]" 1
181 1 9 VAL HA 1 65 ILE HA . . 4.600 2.250 2.147 2.476 . 0 0 "[ . 1 . 2]" 1
182 1 9 VAL HA 1 65 ILE MD . . 6.300 4.038 3.552 4.743 . 0 0 "[ . 1 . 2]" 1
183 1 9 VAL HA 1 65 ILE MG . . 6.500 2.641 2.308 3.231 . 0 0 "[ . 1 . 2]" 1
184 1 9 VAL HA 1 66 ILE H . . 3.900 3.645 3.464 3.821 . 0 0 "[ . 1 . 2]" 1
185 1 9 VAL HB 1 10 ASP H . . 4.700 3.961 3.757 4.214 . 0 0 "[ . 1 . 2]" 1
186 1 9 VAL HB 1 12 LEU QD . . 8.070 4.942 3.958 6.009 . 0 0 "[ . 1 . 2]" 1
187 1 9 VAL HB 1 63 LEU QD . . 8.570 4.816 3.804 5.657 . 0 0 "[ . 1 . 2]" 1
188 1 9 VAL HB 1 65 ILE HB . . 4.500 4.541 4.426 4.590 0.090 6 0 "[ . 1 . 2]" 1
189 1 9 VAL HB 1 65 ILE MD . . 7.000 2.458 2.113 3.139 . 0 0 "[ . 1 . 2]" 1
190 1 9 VAL HB 1 65 ILE QG . . 5.580 2.689 2.397 2.941 . 0 0 "[ . 1 . 2]" 1
191 1 9 VAL HB 1 65 ILE MG . . 7.000 2.103 2.043 2.236 . 0 0 "[ . 1 . 2]" 1
192 1 9 VAL QG 1 10 ASP H . . 4.560 2.271 1.928 2.759 . 0 0 "[ . 1 . 2]" 1
193 1 9 VAL QG 1 11 GLY H . . 8.560 4.492 3.962 5.021 . 0 0 "[ . 1 . 2]" 1
194 1 9 VAL QG 1 12 LEU H . . 8.560 3.877 3.564 4.805 . 0 0 "[ . 1 . 2]" 1
195 1 9 VAL QG 1 12 LEU QD . . 8.930 2.558 1.795 3.547 . 0 0 "[ . 1 . 2]" 1
196 1 9 VAL QG 1 12 LEU HG . . 5.900 3.252 2.566 3.708 . 0 0 "[ . 1 . 2]" 1
197 1 9 VAL QG 1 21 PHE QB . . 7.540 4.882 4.654 5.037 . 0 0 "[ . 1 . 2]" 1
198 1 9 VAL QG 1 41 SER QB . . 7.720 4.076 3.576 4.442 . 0 0 "[ . 1 . 2]" 1
199 1 9 VAL QG 1 42 LYS H . . 8.560 3.305 2.517 3.652 . 0 0 "[ . 1 . 2]" 1
200 1 9 VAL QG 1 42 LYS HA . . 6.190 2.402 2.091 3.141 . 0 0 "[ . 1 . 2]" 1
201 1 9 VAL QG 1 43 ILE H . . 8.560 3.102 2.473 3.545 . 0 0 "[ . 1 . 2]" 1
202 1 9 VAL QG 1 63 LEU QD . . 11.030 2.636 2.002 3.516 . 0 0 "[ . 1 . 2]" 1
203 1 9 VAL QG 1 65 ILE HA . . 6.190 3.541 3.108 3.740 . 0 0 "[ . 1 . 2]" 1
204 1 9 VAL QG 1 65 ILE MD . . 4.960 2.688 2.196 3.043 . 0 0 "[ . 1 . 2]" 1
205 1 9 VAL QG 1 65 ILE QG . . 7.540 2.438 2.084 2.857 . 0 0 "[ . 1 . 2]" 1
206 1 9 VAL QG 1 65 ILE MG . . 5.470 2.940 2.799 3.038 . 0 0 "[ . 1 . 2]" 1
207 1 9 VAL MG1 1 10 ASP H . . 5.200 4.088 3.869 4.320 . 0 0 "[ . 1 . 2]" 1
208 1 9 VAL MG1 1 12 LEU HG . . 6.300 4.650 3.729 5.287 . 0 0 "[ . 1 . 2]" 1
209 1 9 VAL MG1 1 41 SER HB2 . . 8.750 4.638 3.993 5.055 . 0 0 "[ . 1 . 2]" 1
210 1 9 VAL MG1 1 41 SER HB3 . . 8.750 4.834 3.839 5.224 . 0 0 "[ . 1 . 2]" 1
211 1 9 VAL MG1 1 42 LYS HA . . 7.000 2.407 2.093 3.154 . 0 0 "[ . 1 . 2]" 1
212 1 9 VAL MG1 1 65 ILE HA . . 7.000 4.707 4.377 4.899 . 0 0 "[ . 1 . 2]" 1
213 1 9 VAL MG1 1 65 ILE MD . . 5.300 3.437 3.023 3.738 . 0 0 "[ . 1 . 2]" 1
214 1 9 VAL MG1 1 65 ILE MG . . 6.300 3.231 2.921 3.439 . 0 0 "[ . 1 . 2]" 1
215 1 9 VAL MG2 1 10 ASP H . . 5.200 2.283 1.933 2.792 . 0 0 "[ . 1 . 2]" 1
216 1 9 VAL MG2 1 12 LEU HG . . 6.300 3.329 2.595 3.894 . 0 0 "[ . 1 . 2]" 1
217 1 9 VAL MG2 1 41 SER HB2 . . 8.750 6.516 6.146 6.922 . 0 0 "[ . 1 . 2]" 1
218 1 9 VAL MG2 1 41 SER HB3 . . 8.750 6.859 4.829 7.341 . 0 0 "[ . 1 . 2]" 1
219 1 9 VAL MG2 1 42 LYS HA . . 7.000 5.106 4.771 5.824 . 0 0 "[ . 1 . 2]" 1
220 1 9 VAL MG2 1 65 ILE HA . . 7.000 3.667 3.176 3.941 . 0 0 "[ . 1 . 2]" 1
221 1 9 VAL MG2 1 65 ILE MD . . 5.300 2.823 2.242 3.342 . 0 0 "[ . 1 . 2]" 1
222 1 9 VAL MG2 1 65 ILE MG . . 6.300 3.407 3.204 3.590 . 0 0 "[ . 1 . 2]" 1
223 1 10 ASP H 1 10 ASP HB2 . . 3.700 2.895 2.499 3.331 . 0 0 "[ . 1 . 2]" 1
224 1 10 ASP H 1 10 ASP QB . . 3.490 2.648 2.352 2.836 . 0 0 "[ . 1 . 2]" 1
225 1 10 ASP H 1 10 ASP HB3 . . 3.700 3.316 2.697 3.740 0.040 14 0 "[ . 1 . 2]" 1
226 1 10 ASP H 1 11 GLY H . . 5.600 4.332 4.265 4.451 . 0 0 "[ . 1 . 2]" 1
227 1 10 ASP H 1 63 LEU HA . . 6.000 5.168 5.022 5.429 . 0 0 "[ . 1 . 2]" 1
228 1 10 ASP H 1 63 LEU QD . . 8.570 4.034 3.027 4.939 . 0 0 "[ . 1 . 2]" 1
229 1 10 ASP H 1 64 LYS H . . 3.200 3.271 3.212 3.316 0.116 13 0 "[ . 1 . 2]" 1
230 1 10 ASP H 1 64 LYS QB . . 7.000 4.871 4.422 5.157 . 0 0 "[ . 1 . 2]" 1
231 1 10 ASP H 1 64 LYS QD . . 6.880 3.183 2.261 3.986 . 0 0 "[ . 1 . 2]" 1
232 1 10 ASP H 1 65 ILE HA . . 4.100 3.705 3.362 4.103 0.003 8 0 "[ . 1 . 2]" 1
233 1 10 ASP H 1 65 ILE MD . . 7.000 5.162 4.620 5.990 . 0 0 "[ . 1 . 2]" 1
234 1 10 ASP H 1 66 ILE QG . . 6.880 5.614 4.999 6.140 . 0 0 "[ . 1 . 2]" 1
235 1 10 ASP HA 1 11 GLY H . . 3.000 2.363 2.234 2.642 . 0 0 "[ . 1 . 2]" 1
236 1 10 ASP HA 1 12 LEU H . . 5.000 4.256 3.619 4.686 . 0 0 "[ . 1 . 2]" 1
237 1 10 ASP QB 1 64 LYS QB . . 6.540 4.743 4.239 5.183 . 0 0 "[ . 1 . 2]" 1
238 1 10 ASP QB 1 64 LYS QD . . 4.980 2.645 1.962 3.726 . 0 0 "[ . 1 . 2]" 1
239 1 10 ASP HB2 1 11 GLY H . . 4.800 3.969 3.748 4.280 . 0 0 "[ . 1 . 2]" 1
240 1 10 ASP HB2 1 64 LYS H . . 6.000 5.411 4.336 6.015 0.015 16 0 "[ . 1 . 2]" 1
241 1 10 ASP HB2 1 64 LYS QB . . 6.700 5.498 4.471 6.086 . 0 0 "[ . 1 . 2]" 1
242 1 10 ASP HB2 1 64 LYS HD2 . . 5.400 4.132 2.476 5.466 0.066 5 0 "[ . 1 . 2]" 1
243 1 10 ASP HB2 1 64 LYS HD3 . . 5.400 3.988 2.882 4.580 . 0 0 "[ . 1 . 2]" 1
244 1 10 ASP HB3 1 11 GLY H . . 4.800 3.019 2.462 3.685 . 0 0 "[ . 1 . 2]" 1
245 1 10 ASP HB3 1 64 LYS H . . 6.000 5.298 4.578 6.019 0.019 6 0 "[ . 1 . 2]" 1
246 1 10 ASP HB3 1 64 LYS QB . . 6.700 5.416 4.509 6.013 . 0 0 "[ . 1 . 2]" 1
247 1 10 ASP HB3 1 64 LYS HD2 . . 5.400 3.630 1.992 5.445 0.045 13 0 "[ . 1 . 2]" 1
248 1 10 ASP HB3 1 64 LYS HD3 . . 5.400 3.543 2.283 4.743 . 0 0 "[ . 1 . 2]" 1
249 1 11 GLY H 1 12 LEU H . . 3.600 3.320 2.439 3.656 0.056 1 0 "[ . 1 . 2]" 1
250 1 11 GLY H 1 12 LEU QB . . 6.880 5.413 4.947 5.820 . 0 0 "[ . 1 . 2]" 1
251 1 11 GLY H 1 12 LEU HG . . 6.000 5.461 4.160 6.113 0.113 7 0 "[ . 1 . 2]" 1
252 1 11 GLY H 1 63 LEU QD . . 8.570 4.655 3.964 6.160 . 0 0 "[ . 1 . 2]" 1
253 1 11 GLY QA 1 63 LEU QD . . 7.380 3.106 2.200 4.661 . 0 0 "[ . 1 . 2]" 1
254 1 11 GLY HA2 1 63 LEU MD1 . . 9.440 4.503 3.724 6.312 . 0 0 "[ . 1 . 2]" 1
255 1 11 GLY HA2 1 63 LEU MD2 . . 9.440 6.679 5.836 7.615 . 0 0 "[ . 1 . 2]" 1
256 1 11 GLY HA3 1 63 LEU MD1 . . 9.440 3.230 2.220 5.020 . 0 0 "[ . 1 . 2]" 1
257 1 11 GLY HA3 1 63 LEU MD2 . . 9.440 5.421 4.432 7.045 . 0 0 "[ . 1 . 2]" 1
258 1 12 LEU H 1 12 LEU QB . . 3.760 2.608 2.334 3.356 . 0 0 "[ . 1 . 2]" 1
259 1 12 LEU H 1 12 LEU MD1 . . 5.100 2.762 1.859 3.976 . 0 0 "[ . 1 . 2]" 1
260 1 12 LEU H 1 12 LEU MD2 . . 5.100 3.686 3.300 4.300 . 0 0 "[ . 1 . 2]" 1
261 1 12 LEU H 1 12 LEU HG . . 3.900 2.909 1.988 3.965 0.065 18 0 "[ . 1 . 2]" 1
262 1 12 LEU H 1 13 SER H . . 6.000 4.603 4.296 4.707 . 0 0 "[ . 1 . 2]" 1
263 1 12 LEU H 1 63 LEU QD . . 7.470 2.648 1.841 4.428 . 0 0 "[ . 1 . 2]" 1
264 1 12 LEU HA 1 63 LEU MD1 . . 7.000 3.538 2.214 4.799 . 0 0 "[ . 1 . 2]" 1
265 1 12 LEU HA 1 63 LEU QD . . 6.140 3.442 2.210 4.581 . 0 0 "[ . 1 . 2]" 1
266 1 12 LEU HA 1 63 LEU MD2 . . 7.000 5.009 4.361 5.864 . 0 0 "[ . 1 . 2]" 1
267 1 12 LEU QB 1 13 SER H . . 6.880 2.478 2.142 2.724 . 0 0 "[ . 1 . 2]" 1
268 1 12 LEU QB 1 38 PHE QD . . 8.180 4.215 2.929 5.194 . 0 0 "[ . 1 . 2]" 1
269 1 12 LEU QB 1 38 PHE QE . . 7.680 4.405 2.398 6.073 . 0 0 "[ . 1 . 2]" 1
270 1 12 LEU QB 1 60 PHE QD . . 8.880 6.163 5.444 6.797 . 0 0 "[ . 1 . 2]" 1
271 1 12 LEU QB 1 60 PHE QE . . 8.880 4.881 4.155 5.419 . 0 0 "[ . 1 . 2]" 1
272 1 12 LEU QB 1 63 LEU QB . . 7.750 4.675 3.489 5.551 . 0 0 "[ . 1 . 2]" 1
273 1 12 LEU QB 1 63 LEU QD . . 6.910 2.110 1.910 2.815 . 0 0 "[ . 1 . 2]" 1
274 1 12 LEU QB 1 63 LEU HG . . 4.480 3.544 2.537 4.081 . 0 0 "[ . 1 . 2]" 1
275 1 12 LEU HB2 1 14 CYS H . . 6.000 3.889 3.252 4.544 . 0 0 "[ . 1 . 2]" 1
276 1 12 LEU HB2 1 63 LEU MD1 . . 8.750 3.418 2.261 3.976 . 0 0 "[ . 1 . 2]" 1
277 1 12 LEU HB2 1 63 LEU MD2 . . 8.750 4.202 3.515 4.866 . 0 0 "[ . 1 . 2]" 1
278 1 12 LEU HB3 1 14 CYS H . . 6.000 5.463 4.907 5.928 . 0 0 "[ . 1 . 2]" 1
279 1 12 LEU HB3 1 63 LEU MD1 . . 8.750 2.198 2.042 2.951 . 0 0 "[ . 1 . 2]" 1
280 1 12 LEU HB3 1 63 LEU MD2 . . 8.750 3.308 2.574 4.308 . 0 0 "[ . 1 . 2]" 1
281 1 12 LEU QD 1 13 SER H . . 8.570 2.903 2.407 3.565 . 0 0 "[ . 1 . 2]" 1
282 1 12 LEU QD 1 14 CYS H . . 8.570 2.517 1.894 3.585 . 0 0 "[ . 1 . 2]" 1
283 1 12 LEU QD 1 18 ALA HA . . 5.670 3.853 2.942 4.281 . 0 0 "[ . 1 . 2]" 1
284 1 12 LEU QD 1 41 SER H . . 8.570 5.204 3.417 6.395 . 0 0 "[ . 1 . 2]" 1
285 1 12 LEU QD 1 60 PHE QE . . 10.570 4.273 2.366 6.057 . 0 0 "[ . 1 . 2]" 1
286 1 12 LEU QD 1 63 LEU QD . . 6.700 2.242 1.778 3.334 . 0 0 "[ . 1 . 2]" 1
287 1 12 LEU QD 1 63 LEU HG . . 5.470 2.877 2.008 4.100 . 0 0 "[ . 1 . 2]" 1
288 1 12 LEU MD1 1 21 PHE QD . . 9.000 5.162 3.785 6.678 . 0 0 "[ . 1 . 2]" 1
289 1 12 LEU MD1 1 38 PHE QD . . 9.000 2.929 2.149 3.790 . 0 0 "[ . 1 . 2]" 1
290 1 12 LEU MD1 1 38 PHE QE . . 9.000 3.896 2.888 5.293 . 0 0 "[ . 1 . 2]" 1
291 1 12 LEU MD1 1 63 LEU MD1 . . 8.840 3.411 2.053 4.575 . 0 0 "[ . 1 . 2]" 1
292 1 12 LEU MD1 1 63 LEU MD2 . . 8.840 4.408 2.398 5.601 . 0 0 "[ . 1 . 2]" 1
293 1 12 LEU MD2 1 21 PHE QD . . 9.000 4.073 2.232 6.227 . 0 0 "[ . 1 . 2]" 1
294 1 12 LEU MD2 1 38 PHE QD . . 9.000 2.781 2.070 3.666 . 0 0 "[ . 1 . 2]" 1
295 1 12 LEU MD2 1 38 PHE QE . . 9.000 3.206 2.221 5.474 . 0 0 "[ . 1 . 2]" 1
296 1 12 LEU MD2 1 63 LEU MD1 . . 8.840 2.968 2.067 4.469 . 0 0 "[ . 1 . 2]" 1
297 1 12 LEU MD2 1 63 LEU MD2 . . 8.840 3.298 1.940 5.535 . 0 0 "[ . 1 . 2]" 1
298 1 12 LEU HG 1 13 SER H . . 6.000 4.629 4.106 5.001 . 0 0 "[ . 1 . 2]" 1
299 1 12 LEU HG 1 14 CYS H . . 6.000 5.208 4.422 6.034 0.034 3 0 "[ . 1 . 2]" 1
300 1 12 LEU HG 1 38 PHE QD . . 6.900 3.472 2.215 4.975 . 0 0 "[ . 1 . 2]" 1
301 1 12 LEU HG 1 38 PHE QE . . 7.900 4.061 2.529 5.104 . 0 0 "[ . 1 . 2]" 1
302 1 12 LEU HG 1 63 LEU QB . . 5.680 4.823 3.752 5.130 . 0 0 "[ . 1 . 2]" 1
303 1 12 LEU HG 1 63 LEU MD1 . . 7.000 2.821 2.106 4.350 . 0 0 "[ . 1 . 2]" 1
304 1 12 LEU HG 1 63 LEU QD . . 6.330 2.723 2.028 3.806 . 0 0 "[ . 1 . 2]" 1
305 1 12 LEU HG 1 63 LEU MD2 . . 7.000 3.998 2.401 5.363 . 0 0 "[ . 1 . 2]" 1
306 1 12 LEU HG 1 63 LEU HG . . 4.100 3.583 2.343 4.184 0.084 5 0 "[ . 1 . 2]" 1
307 1 13 SER H 1 14 CYS H . . 4.600 2.970 1.976 3.468 . 0 0 "[ . 1 . 2]" 1
308 1 13 SER H 1 63 LEU QD . . 8.570 4.733 3.309 5.396 . 0 0 "[ . 1 . 2]" 1
309 1 14 CYS H 1 17 CYS H . . 4.900 4.393 2.910 4.928 0.028 3 0 "[ . 1 . 2]" 1
310 1 14 CYS H 1 17 CYS HB2 . . 4.900 3.312 2.223 4.104 . 0 0 "[ . 1 . 2]" 1
311 1 14 CYS H 1 17 CYS QB . . 4.620 3.206 2.210 3.733 . 0 0 "[ . 1 . 2]" 1
312 1 14 CYS H 1 17 CYS HB3 . . 4.900 4.602 3.424 4.947 0.047 17 0 "[ . 1 . 2]" 1
313 1 14 CYS H 1 18 ALA MB . . 7.000 4.455 3.887 5.272 . 0 0 "[ . 1 . 2]" 1
314 1 15 THR HA 1 19 ALA H . . 5.200 4.028 3.814 4.929 . 0 0 "[ . 1 . 2]" 1
315 1 16 ASN H 1 16 ASN HA . . 2.700 2.767 2.701 2.800 0.100 14 0 "[ . 1 . 2]" 1
316 1 16 ASN H 1 17 CYS H . . 5.200 2.828 2.667 3.200 . 0 0 "[ . 1 . 2]" 1
317 1 16 ASN HA 1 19 ALA MB . . 5.800 2.695 2.461 3.153 . 0 0 "[ . 1 . 2]" 1
318 1 16 ASN HB2 1 17 CYS H . . 4.300 3.092 2.511 4.006 . 0 0 "[ . 1 . 2]" 1
319 1 16 ASN HB3 1 17 CYS H . . 4.300 3.395 2.639 4.145 . 0 0 "[ . 1 . 2]" 1
320 1 17 CYS H 1 17 CYS HB2 . . 3.900 2.358 2.118 2.538 . 0 0 "[ . 1 . 2]" 1
321 1 17 CYS H 1 17 CYS QB . . 3.700 2.319 2.093 2.490 . 0 0 "[ . 1 . 2]" 1
322 1 17 CYS H 1 17 CYS HB3 . . 3.900 3.515 2.619 3.627 . 0 0 "[ . 1 . 2]" 1
323 1 17 CYS H 1 18 ALA H . . 3.900 2.564 2.371 2.777 . 0 0 "[ . 1 . 2]" 1
324 1 17 CYS HA 1 20 LYS H . . 4.800 3.317 3.064 3.564 . 0 0 "[ . 1 . 2]" 1
325 1 17 CYS HA 1 20 LYS HB2 . . 4.400 3.087 2.442 3.764 . 0 0 "[ . 1 . 2]" 1
326 1 17 CYS HA 1 20 LYS QB . . 4.110 2.476 2.266 2.702 . 0 0 "[ . 1 . 2]" 1
327 1 17 CYS HA 1 20 LYS HB3 . . 4.400 2.686 2.389 3.096 . 0 0 "[ . 1 . 2]" 1
328 1 17 CYS HA 1 20 LYS QG . . 6.780 4.237 3.690 4.751 . 0 0 "[ . 1 . 2]" 1
329 1 17 CYS HA 1 21 PHE H . . 5.000 3.898 3.715 4.050 . 0 0 "[ . 1 . 2]" 1
330 1 17 CYS HA 1 60 PHE QE . . 7.000 3.421 2.288 3.935 . 0 0 "[ . 1 . 2]" 1
331 1 17 CYS HA 1 60 PHE HZ . . 5.200 3.731 3.140 4.505 . 0 0 "[ . 1 . 2]" 1
332 1 17 CYS QB 1 18 ALA H . . 3.960 2.663 2.364 2.910 . 0 0 "[ . 1 . 2]" 1
333 1 17 CYS QB 1 19 ALA H . . 5.330 4.754 4.573 4.812 . 0 0 "[ . 1 . 2]" 1
334 1 17 CYS QB 1 20 LYS H . . 5.980 4.871 4.718 5.065 . 0 0 "[ . 1 . 2]" 1
335 1 17 CYS QB 1 21 PHE H . . 5.980 4.526 4.344 5.061 . 0 0 "[ . 1 . 2]" 1
336 1 17 CYS QB 1 60 PHE QE . . 8.880 2.964 2.336 4.405 . 0 0 "[ . 1 . 2]" 1
337 1 17 CYS QB 1 60 PHE HZ . . 6.880 3.485 2.403 5.404 . 0 0 "[ . 1 . 2]" 1
338 1 17 CYS HB2 1 18 ALA H . . 4.200 2.835 2.591 3.619 . 0 0 "[ . 1 . 2]" 1
339 1 17 CYS HB2 1 19 ALA H . . 5.500 5.233 5.037 5.588 0.088 2 0 "[ . 1 . 2]" 1
340 1 17 CYS HB3 1 18 ALA H . . 4.200 3.450 2.397 3.816 . 0 0 "[ . 1 . 2]" 1
341 1 17 CYS HB3 1 19 ALA H . . 5.500 5.482 4.853 5.568 0.068 6 0 "[ . 1 . 2]" 1
342 1 18 ALA H 1 18 ALA MB . . 3.600 2.236 2.088 2.276 . 0 0 "[ . 1 . 2]" 1
343 1 18 ALA H 1 19 ALA H . . 3.800 2.765 2.566 2.875 . 0 0 "[ . 1 . 2]" 1
344 1 18 ALA HA 1 21 PHE H . . 4.400 3.476 3.246 3.637 . 0 0 "[ . 1 . 2]" 1
345 1 18 ALA HA 1 21 PHE HB2 . . 3.700 2.647 2.272 3.072 . 0 0 "[ . 1 . 2]" 1
346 1 18 ALA HA 1 21 PHE HB3 . . 3.700 3.372 2.854 3.723 0.023 7 0 "[ . 1 . 2]" 1
347 1 18 ALA HA 1 21 PHE QD . . 7.200 3.855 2.823 4.808 . 0 0 "[ . 1 . 2]" 1
348 1 18 ALA HA 1 22 GLU H . . 4.800 3.975 3.723 4.118 . 0 0 "[ . 1 . 2]" 1
349 1 18 ALA HA 1 63 LEU QD . . 8.570 5.855 5.052 6.362 . 0 0 "[ . 1 . 2]" 1
350 1 18 ALA MB 1 19 ALA H . . 3.900 2.476 2.348 2.646 . 0 0 "[ . 1 . 2]" 1
351 1 18 ALA MB 1 22 GLU H . . 6.000 4.395 4.254 4.509 . 0 0 "[ . 1 . 2]" 1
352 1 18 ALA MB 1 38 PHE QD . . 9.000 2.709 2.072 3.467 . 0 0 "[ . 1 . 2]" 1
353 1 18 ALA MB 1 38 PHE QE . . 9.000 4.248 3.101 5.269 . 0 0 "[ . 1 . 2]" 1
354 1 19 ALA H 1 19 ALA MB . . 3.400 2.257 2.233 2.290 . 0 0 "[ . 1 . 2]" 1
355 1 19 ALA H 1 20 LYS H . . 3.900 2.753 2.532 2.846 . 0 0 "[ . 1 . 2]" 1
356 1 19 ALA H 1 21 PHE H . . 5.500 4.081 3.902 4.277 . 0 0 "[ . 1 . 2]" 1
357 1 19 ALA HA 1 22 GLU H . . 4.700 3.535 3.272 3.756 . 0 0 "[ . 1 . 2]" 1
358 1 19 ALA HA 1 23 ARG H . . 5.000 3.865 3.689 4.008 . 0 0 "[ . 1 . 2]" 1
359 1 19 ALA MB 1 20 LYS H . . 4.300 2.388 2.311 2.546 . 0 0 "[ . 1 . 2]" 1
360 1 20 LYS H 1 20 LYS HB2 . . 3.800 2.329 2.131 2.601 . 0 0 "[ . 1 . 2]" 1
361 1 20 LYS H 1 20 LYS QB . . 3.400 2.180 2.092 2.331 . 0 0 "[ . 1 . 2]" 1
362 1 20 LYS H 1 20 LYS HB3 . . 3.800 2.709 2.376 3.072 . 0 0 "[ . 1 . 2]" 1
363 1 20 LYS H 1 20 LYS HD2 . . 6.000 4.837 3.642 5.785 . 0 0 "[ . 1 . 2]" 1
364 1 20 LYS H 1 20 LYS QD . . 5.640 4.180 3.362 4.798 . 0 0 "[ . 1 . 2]" 1
365 1 20 LYS H 1 20 LYS HD3 . . 6.000 4.745 3.440 5.990 . 0 0 "[ . 1 . 2]" 1
366 1 20 LYS H 1 20 LYS HG2 . . 5.600 4.537 3.967 4.659 . 0 0 "[ . 1 . 2]" 1
367 1 20 LYS H 1 20 LYS QG . . 5.090 3.976 3.695 4.082 . 0 0 "[ . 1 . 2]" 1
368 1 20 LYS H 1 20 LYS HG3 . . 5.600 4.409 4.115 4.547 . 0 0 "[ . 1 . 2]" 1
369 1 20 LYS H 1 21 PHE H . . 3.700 2.816 2.700 2.916 . 0 0 "[ . 1 . 2]" 1
370 1 20 LYS HA 1 23 ARG H . . 4.100 3.955 3.668 4.119 0.019 7 0 "[ . 1 . 2]" 1
371 1 20 LYS HA 1 23 ARG HB2 . . 4.000 3.730 2.802 4.048 0.048 9 0 "[ . 1 . 2]" 1
372 1 20 LYS HA 1 23 ARG QB . . 3.650 2.853 2.548 3.174 . 0 0 "[ . 1 . 2]" 1
373 1 20 LYS HA 1 23 ARG HB3 . . 4.000 3.022 2.608 4.045 0.045 8 0 "[ . 1 . 2]" 1
374 1 20 LYS QB 1 60 PHE QD . . 8.880 4.488 3.920 5.151 . 0 0 "[ . 1 . 2]" 1
375 1 20 LYS QB 1 60 PHE QE . . 8.880 3.273 2.443 3.906 . 0 0 "[ . 1 . 2]" 1
376 1 20 LYS HB2 1 21 PHE H . . 4.300 3.724 3.300 3.983 . 0 0 "[ . 1 . 2]" 1
377 1 20 LYS HB3 1 21 PHE H . . 4.300 2.555 2.291 2.757 . 0 0 "[ . 1 . 2]" 1
378 1 20 LYS QE 1 24 ASN QD . . 6.810 4.211 2.396 5.274 . 0 0 "[ . 1 . 2]" 1
379 1 20 LYS QE 1 60 PHE QE . . 8.880 4.335 2.645 5.942 . 0 0 "[ . 1 . 2]" 1
380 1 20 LYS HE2 1 24 ASN HD21 . . 7.730 6.191 4.026 7.746 0.016 3 0 "[ . 1 . 2]" 1
381 1 20 LYS HE2 1 24 ASN HD22 . . 7.730 5.276 2.436 7.154 . 0 0 "[ . 1 . 2]" 1
382 1 20 LYS HE2 1 60 PHE QD . . 8.000 4.403 2.819 6.147 . 0 0 "[ . 1 . 2]" 1
383 1 20 LYS HE3 1 24 ASN HD21 . . 7.730 6.094 4.341 7.713 . 0 0 "[ . 1 . 2]" 1
384 1 20 LYS HE3 1 24 ASN HD22 . . 7.730 5.200 3.778 6.431 . 0 0 "[ . 1 . 2]" 1
385 1 20 LYS HE3 1 60 PHE QD . . 8.000 4.715 2.897 6.814 . 0 0 "[ . 1 . 2]" 1
386 1 20 LYS QG 1 21 PHE H . . 6.880 3.814 3.306 4.481 . 0 0 "[ . 1 . 2]" 1
387 1 20 LYS HG2 1 24 ASN HD21 . . 6.000 4.848 2.710 6.056 0.056 11 0 "[ . 1 . 2]" 1
388 1 20 LYS HG2 1 24 ASN HD22 . . 6.000 4.484 2.741 5.936 . 0 0 "[ . 1 . 2]" 1
389 1 20 LYS HG2 1 60 PHE QD . . 8.000 3.858 3.219 5.396 . 0 0 "[ . 1 . 2]" 1
390 1 20 LYS HG2 1 60 PHE QE . . 8.000 3.330 2.706 5.044 . 0 0 "[ . 1 . 2]" 1
391 1 20 LYS HG3 1 24 ASN HD21 . . 6.000 4.947 3.331 6.029 0.029 19 0 "[ . 1 . 2]" 1
392 1 20 LYS HG3 1 24 ASN HD22 . . 6.000 4.552 3.077 6.029 0.029 2 0 "[ . 1 . 2]" 1
393 1 20 LYS HG3 1 60 PHE QD . . 8.000 4.663 3.207 5.611 . 0 0 "[ . 1 . 2]" 1
394 1 20 LYS HG3 1 60 PHE QE . . 8.000 4.085 2.669 4.807 . 0 0 "[ . 1 . 2]" 1
395 1 21 PHE H 1 21 PHE HB2 . . 3.900 2.177 2.091 2.254 . 0 0 "[ . 1 . 2]" 1
396 1 21 PHE H 1 21 PHE QB . . 3.600 2.137 2.061 2.194 . 0 0 "[ . 1 . 2]" 1
397 1 21 PHE H 1 21 PHE HB3 . . 3.900 3.188 2.847 3.497 . 0 0 "[ . 1 . 2]" 1
398 1 21 PHE H 1 22 GLU H . . 3.400 3.014 2.871 3.115 . 0 0 "[ . 1 . 2]" 1
399 1 21 PHE H 1 23 ARG H . . 4.500 4.343 4.155 4.510 0.010 2 0 "[ . 1 . 2]" 1
400 1 21 PHE H 1 25 VAL QG . . 8.560 5.550 5.413 5.677 . 0 0 "[ . 1 . 2]" 1
401 1 21 PHE H 1 36 VAL QG . . 8.560 4.287 3.820 4.778 . 0 0 "[ . 1 . 2]" 1
402 1 21 PHE H 1 60 PHE QE . . 8.000 3.997 3.637 4.298 . 0 0 "[ . 1 . 2]" 1
403 1 21 PHE H 1 60 PHE HZ . . 5.900 3.182 2.851 3.506 . 0 0 "[ . 1 . 2]" 1
404 1 21 PHE H 1 63 LEU QD . . 8.570 6.074 5.358 6.392 . 0 0 "[ . 1 . 2]" 1
405 1 21 PHE HA 1 24 ASN H . . 4.600 3.546 3.443 3.728 . 0 0 "[ . 1 . 2]" 1
406 1 21 PHE HA 1 24 ASN HB2 . . 4.300 2.584 2.315 3.146 . 0 0 "[ . 1 . 2]" 1
407 1 21 PHE HA 1 24 ASN QB . . 3.910 2.529 2.291 2.834 . 0 0 "[ . 1 . 2]" 1
408 1 21 PHE HA 1 24 ASN HB3 . . 4.300 3.915 3.179 4.310 0.010 12 0 "[ . 1 . 2]" 1
409 1 21 PHE HA 1 58 GLY QA . . 5.580 4.957 4.788 5.041 . 0 0 "[ . 1 . 2]" 1
410 1 21 PHE HA 1 60 PHE QD . . 8.000 5.059 4.716 5.556 . 0 0 "[ . 1 . 2]" 1
411 1 21 PHE HA 1 60 PHE QE . . 6.300 2.896 2.540 4.149 . 0 0 "[ . 1 . 2]" 1
412 1 21 PHE QB 1 22 GLU H . . 4.330 2.435 2.300 2.552 . 0 0 "[ . 1 . 2]" 1
413 1 21 PHE QB 1 25 VAL QG . . 7.940 3.686 3.324 4.076 . 0 0 "[ . 1 . 2]" 1
414 1 21 PHE QB 1 38 PHE QE . . 6.700 2.680 2.084 3.302 . 0 0 "[ . 1 . 2]" 1
415 1 21 PHE QB 1 58 GLY QA . . 7.750 5.209 4.930 5.414 . 0 0 "[ . 1 . 2]" 1
416 1 21 PHE QB 1 60 PHE QD . . 8.880 5.897 5.576 6.362 . 0 0 "[ . 1 . 2]" 1
417 1 21 PHE QB 1 60 PHE QE . . 7.050 3.980 3.641 4.464 . 0 0 "[ . 1 . 2]" 1
418 1 21 PHE QB 1 60 PHE HZ . . 4.570 3.169 2.483 3.759 . 0 0 "[ . 1 . 2]" 1
419 1 21 PHE QB 1 63 LEU QD . . 7.990 4.785 3.870 5.302 . 0 0 "[ . 1 . 2]" 1
420 1 21 PHE HB2 1 22 GLU H . . 4.800 3.190 2.753 3.591 . 0 0 "[ . 1 . 2]" 1
421 1 21 PHE HB2 1 38 PHE QE . . 7.000 3.248 2.242 4.003 . 0 0 "[ . 1 . 2]" 1
422 1 21 PHE HB2 1 60 PHE QE . . 7.300 4.197 3.756 4.852 . 0 0 "[ . 1 . 2]" 1
423 1 21 PHE HB2 1 60 PHE HZ . . 4.800 3.242 2.502 3.925 . 0 0 "[ . 1 . 2]" 1
424 1 21 PHE HB2 1 63 LEU MD1 . . 10.140 6.510 5.618 7.210 . 0 0 "[ . 1 . 2]" 1
425 1 21 PHE HB2 1 63 LEU MD2 . . 10.140 5.373 4.150 6.211 . 0 0 "[ . 1 . 2]" 1
426 1 21 PHE HB3 1 22 GLU H . . 4.800 2.578 2.337 2.893 . 0 0 "[ . 1 . 2]" 1
427 1 21 PHE HB3 1 38 PHE QE . . 7.000 3.156 2.318 4.143 . 0 0 "[ . 1 . 2]" 1
428 1 21 PHE HB3 1 60 PHE QE . . 7.300 5.039 4.660 5.505 . 0 0 "[ . 1 . 2]" 1
429 1 21 PHE HB3 1 60 PHE HZ . . 4.800 4.629 4.164 4.858 0.058 8 0 "[ . 1 . 2]" 1
430 1 21 PHE HB3 1 63 LEU MD1 . . 10.140 7.276 6.492 7.867 . 0 0 "[ . 1 . 2]" 1
431 1 21 PHE HB3 1 63 LEU MD2 . . 10.140 6.154 5.006 6.951 . 0 0 "[ . 1 . 2]" 1
432 1 21 PHE QD 1 22 GLU H . . 8.000 4.359 4.090 4.558 . 0 0 "[ . 1 . 2]" 1
433 1 21 PHE QD 1 24 ASN QD . . 8.870 4.549 3.217 5.716 . 0 0 "[ . 1 . 2]" 1
434 1 21 PHE QD 1 25 VAL MG1 . . 9.000 5.353 4.598 5.670 . 0 0 "[ . 1 . 2]" 1
435 1 21 PHE QD 1 25 VAL QG . . 8.040 3.055 2.608 3.709 . 0 0 "[ . 1 . 2]" 1
436 1 21 PHE QD 1 25 VAL MG2 . . 9.000 3.076 2.616 3.759 . 0 0 "[ . 1 . 2]" 1
437 1 21 PHE QD 1 36 VAL HB . . 8.000 4.180 2.341 5.393 . 0 0 "[ . 1 . 2]" 1
438 1 21 PHE QD 1 43 ILE HB . . 6.800 4.884 3.602 6.072 . 0 0 "[ . 1 . 2]" 1
439 1 21 PHE QD 1 43 ILE MD . . 9.000 4.456 2.867 5.378 . 0 0 "[ . 1 . 2]" 1
440 1 21 PHE QD 1 43 ILE MG . . 7.500 4.886 4.018 5.579 . 0 0 "[ . 1 . 2]" 1
441 1 21 PHE QD 1 54 VAL QG . . 9.060 2.797 2.250 3.213 . 0 0 "[ . 1 . 2]" 1
442 1 21 PHE QD 1 57 ALA H . . 8.000 6.272 5.699 7.061 . 0 0 "[ . 1 . 2]" 1
443 1 21 PHE QD 1 57 ALA MB . . 8.200 3.642 2.988 4.265 . 0 0 "[ . 1 . 2]" 1
444 1 21 PHE QD 1 58 GLY H . . 7.700 4.529 3.986 5.172 . 0 0 "[ . 1 . 2]" 1
445 1 21 PHE QD 1 58 GLY HA2 . . 6.400 3.710 3.011 4.363 . 0 0 "[ . 1 . 2]" 1
446 1 21 PHE QD 1 58 GLY QA . . 6.190 3.521 2.937 4.048 . 0 0 "[ . 1 . 2]" 1
447 1 21 PHE QD 1 58 GLY HA3 . . 6.400 4.463 4.006 4.898 . 0 0 "[ . 1 . 2]" 1
448 1 21 PHE QD 1 59 ALA H . . 8.000 6.559 6.132 6.962 . 0 0 "[ . 1 . 2]" 1
449 1 21 PHE QD 1 60 PHE QD . . 10.000 4.706 4.033 5.316 . 0 0 "[ . 1 . 2]" 1
450 1 21 PHE QD 1 60 PHE QE . . 9.100 2.824 2.134 3.557 . 0 0 "[ . 1 . 2]" 1
451 1 21 PHE QD 1 63 LEU MD1 . . 9.000 5.183 4.748 6.190 . 0 0 "[ . 1 . 2]" 1
452 1 21 PHE QD 1 63 LEU QD . . 8.760 3.699 3.247 4.286 . 0 0 "[ . 1 . 2]" 1
453 1 21 PHE QD 1 63 LEU MD2 . . 9.000 3.809 3.286 4.413 . 0 0 "[ . 1 . 2]" 1
454 1 21 PHE QD 1 63 LEU HG . . 8.000 4.789 4.022 6.388 . 0 0 "[ . 1 . 2]" 1
455 1 21 PHE QD 1 65 ILE MD . . 9.000 4.339 4.058 4.530 . 0 0 "[ . 1 . 2]" 1
456 1 21 PHE QD 1 65 ILE MG . . 9.000 6.255 5.709 6.670 . 0 0 "[ . 1 . 2]" 1
457 1 21 PHE QE 1 25 VAL QG . . 10.560 4.146 3.432 4.736 . 0 0 "[ . 1 . 2]" 1
458 1 21 PHE QE 1 43 ILE HB . . 8.000 4.648 2.770 6.476 . 0 0 "[ . 1 . 2]" 1
459 1 21 PHE QE 1 43 ILE MD . . 9.000 4.524 3.288 5.871 . 0 0 "[ . 1 . 2]" 1
460 1 21 PHE QE 1 43 ILE MG . . 8.000 3.912 2.528 5.362 . 0 0 "[ . 1 . 2]" 1
461 1 21 PHE QE 1 54 VAL QG . . 8.960 2.488 2.065 3.146 . 0 0 "[ . 1 . 2]" 1
462 1 21 PHE QE 1 57 ALA MB . . 9.000 3.701 3.000 4.734 . 0 0 "[ . 1 . 2]" 1
463 1 21 PHE QE 1 63 LEU MD1 . . 9.000 4.025 3.013 5.537 . 0 0 "[ . 1 . 2]" 1
464 1 21 PHE QE 1 63 LEU MD2 . . 9.000 2.320 2.085 3.132 . 0 0 "[ . 1 . 2]" 1
465 1 21 PHE QE 1 65 ILE MD . . 8.900 2.779 2.352 3.309 . 0 0 "[ . 1 . 2]" 1
466 1 21 PHE QE 1 65 ILE QG . . 9.000 4.318 3.911 4.792 . 0 0 "[ . 1 . 2]" 1
467 1 21 PHE QE 1 65 ILE MG . . 9.000 4.909 3.966 5.935 . 0 0 "[ . 1 . 2]" 1
468 1 22 GLU H 1 22 GLU HG2 . . 4.300 3.021 2.197 3.671 . 0 0 "[ . 1 . 2]" 1
469 1 22 GLU H 1 22 GLU QG . . 3.640 2.503 2.145 2.992 . 0 0 "[ . 1 . 2]" 1
470 1 22 GLU H 1 22 GLU HG3 . . 4.300 3.118 2.164 4.054 . 0 0 "[ . 1 . 2]" 1
471 1 22 GLU H 1 23 ARG H . . 3.800 2.777 2.705 2.852 . 0 0 "[ . 1 . 2]" 1
472 1 22 GLU H 1 36 VAL MG1 . . 7.000 3.223 2.439 4.197 . 0 0 "[ . 1 . 2]" 1
473 1 22 GLU H 1 36 VAL QG . . 6.140 2.568 2.271 3.074 . 0 0 "[ . 1 . 2]" 1
474 1 22 GLU H 1 36 VAL MG2 . . 7.000 3.192 2.295 4.228 . 0 0 "[ . 1 . 2]" 1
475 1 22 GLU HA 1 24 ASN H . . 5.400 4.646 4.467 4.969 . 0 0 "[ . 1 . 2]" 1
476 1 22 GLU HA 1 25 VAL H . . 4.400 3.414 3.241 3.841 . 0 0 "[ . 1 . 2]" 1
477 1 22 GLU HA 1 25 VAL HB . . 3.300 2.728 2.385 3.032 . 0 0 "[ . 1 . 2]" 1
478 1 22 GLU HA 1 25 VAL MG1 . . 7.000 4.139 3.764 4.435 . 0 0 "[ . 1 . 2]" 1
479 1 22 GLU HA 1 25 VAL QG . . 6.470 2.859 2.386 3.309 . 0 0 "[ . 1 . 2]" 1
480 1 22 GLU HA 1 25 VAL MG2 . . 7.000 2.925 2.400 3.492 . 0 0 "[ . 1 . 2]" 1
481 1 22 GLU HA 1 26 LYS H . . 4.500 3.969 3.857 4.088 . 0 0 "[ . 1 . 2]" 1
482 1 22 GLU HA 1 34 ALA MB . . 6.300 3.748 2.903 4.416 . 0 0 "[ . 1 . 2]" 1
483 1 22 GLU HA 1 36 VAL QG . . 6.960 2.503 1.982 3.496 . 0 0 "[ . 1 . 2]" 1
484 1 22 GLU HA 1 43 ILE QG . . 5.480 4.919 4.835 4.986 . 0 0 "[ . 1 . 2]" 1
485 1 22 GLU QB 1 23 ARG H . . 3.830 3.439 3.379 3.486 . 0 0 "[ . 1 . 2]" 1
486 1 22 GLU QB 1 25 VAL QG . . 7.420 4.065 3.795 4.413 . 0 0 "[ . 1 . 2]" 1
487 1 22 GLU QB 1 36 VAL H . . 5.690 3.302 3.099 3.562 . 0 0 "[ . 1 . 2]" 1
488 1 22 GLU HB2 1 23 ARG H . . 4.400 3.866 3.714 4.068 . 0 0 "[ . 1 . 2]" 1
489 1 22 GLU HB2 1 25 VAL MG1 . . 8.750 5.288 4.804 5.752 . 0 0 "[ . 1 . 2]" 1
490 1 22 GLU HB2 1 25 VAL MG2 . . 8.750 4.863 4.372 5.487 . 0 0 "[ . 1 . 2]" 1
491 1 22 GLU HB2 1 36 VAL H . . 6.000 3.950 3.336 4.964 . 0 0 "[ . 1 . 2]" 1
492 1 22 GLU HB3 1 23 ARG H . . 4.400 3.880 3.634 4.096 . 0 0 "[ . 1 . 2]" 1
493 1 22 GLU HB3 1 25 VAL MG1 . . 8.750 5.935 5.214 6.525 . 0 0 "[ . 1 . 2]" 1
494 1 22 GLU HB3 1 25 VAL MG2 . . 8.750 4.889 4.500 5.404 . 0 0 "[ . 1 . 2]" 1
495 1 22 GLU HB3 1 36 VAL H . . 6.000 3.607 3.279 4.190 . 0 0 "[ . 1 . 2]" 1
496 1 22 GLU QG 1 25 VAL H . . 6.880 5.377 5.108 5.769 . 0 0 "[ . 1 . 2]" 1
497 1 22 GLU HG2 1 36 VAL H . . 6.000 5.370 4.260 6.085 0.085 19 0 "[ . 1 . 2]" 1
498 1 22 GLU HG3 1 36 VAL H . . 6.000 6.016 5.653 6.184 0.184 12 0 "[ . 1 . 2]" 1
499 1 23 ARG H 1 23 ARG HB2 . . 4.000 2.340 2.150 2.506 . 0 0 "[ . 1 . 2]" 1
500 1 23 ARG H 1 23 ARG QB . . 3.650 2.195 2.082 2.303 . 0 0 "[ . 1 . 2]" 1
501 1 23 ARG H 1 23 ARG HB3 . . 4.000 2.729 2.471 3.499 . 0 0 "[ . 1 . 2]" 1
502 1 23 ARG H 1 24 ASN H . . 3.500 2.862 2.790 2.931 . 0 0 "[ . 1 . 2]" 1
503 1 23 ARG H 1 25 VAL H . . 4.200 4.197 4.099 4.233 0.033 6 0 "[ . 1 . 2]" 1
504 1 23 ARG HA 1 26 LYS HB2 . . 3.600 2.212 2.157 2.272 . 0 0 "[ . 1 . 2]" 1
505 1 23 ARG HA 1 26 LYS QB . . 3.340 2.194 2.141 2.252 . 0 0 "[ . 1 . 2]" 1
506 1 23 ARG HA 1 26 LYS HB3 . . 3.600 3.666 3.624 3.707 0.107 8 0 "[ . 1 . 2]" 1
507 1 23 ARG HA 1 26 LYS HG2 . . 4.800 4.740 4.014 4.886 0.086 12 0 "[ . 1 . 2]" 1
508 1 23 ARG HA 1 26 LYS QG . . 4.520 3.952 3.788 4.103 . 0 0 "[ . 1 . 2]" 1
509 1 23 ARG HA 1 26 LYS HG3 . . 4.800 4.282 3.961 4.895 0.095 9 0 "[ . 1 . 2]" 1
510 1 23 ARG HA 1 27 GLU H . . 5.300 4.076 4.005 4.187 . 0 0 "[ . 1 . 2]" 1
511 1 23 ARG QB 1 24 ASN H . . 4.130 2.413 2.122 2.560 . 0 0 "[ . 1 . 2]" 1
512 1 23 ARG HB2 1 24 ASN H . . 4.900 3.664 2.684 3.889 . 0 0 "[ . 1 . 2]" 1
513 1 23 ARG HB3 1 24 ASN H . . 4.900 2.464 2.142 2.847 . 0 0 "[ . 1 . 2]" 1
514 1 23 ARG QG 1 24 ASN H . . 7.000 3.779 3.291 4.377 . 0 0 "[ . 1 . 2]" 1
515 1 24 ASN H 1 24 ASN HB2 . . 4.000 2.310 2.101 2.537 . 0 0 "[ . 1 . 2]" 1
516 1 24 ASN H 1 24 ASN QB . . 3.650 2.278 2.073 2.491 . 0 0 "[ . 1 . 2]" 1
517 1 24 ASN H 1 24 ASN HB3 . . 4.000 3.485 3.056 3.624 . 0 0 "[ . 1 . 2]" 1
518 1 24 ASN H 1 24 ASN HD21 . . 5.900 4.488 3.325 5.074 . 0 0 "[ . 1 . 2]" 1
519 1 24 ASN H 1 24 ASN QD . . 5.590 4.202 3.238 4.667 . 0 0 "[ . 1 . 2]" 1
520 1 24 ASN H 1 24 ASN HD22 . . 5.900 5.116 4.451 5.592 . 0 0 "[ . 1 . 2]" 1
521 1 24 ASN H 1 25 VAL H . . 4.300 2.854 2.744 2.944 . 0 0 "[ . 1 . 2]" 1
522 1 24 ASN H 1 25 VAL QG . . 8.560 4.267 4.175 4.398 . 0 0 "[ . 1 . 2]" 1
523 1 24 ASN H 1 26 LYS H . . 4.900 4.350 4.237 4.455 . 0 0 "[ . 1 . 2]" 1
524 1 24 ASN H 1 57 ALA MB . . 6.100 4.828 4.540 5.062 . 0 0 "[ . 1 . 2]" 1
525 1 24 ASN HA 1 24 ASN HD22 . . 5.600 4.361 3.584 4.745 . 0 0 "[ . 1 . 2]" 1
526 1 24 ASN HA 1 27 GLU H . . 4.400 3.422 3.281 3.553 . 0 0 "[ . 1 . 2]" 1
527 1 24 ASN HA 1 27 GLU HB2 . . 4.600 2.760 2.581 3.026 . 0 0 "[ . 1 . 2]" 1
528 1 24 ASN HA 1 27 GLU QB . . 4.220 2.731 2.560 2.986 . 0 0 "[ . 1 . 2]" 1
529 1 24 ASN HA 1 27 GLU HB3 . . 4.600 4.355 4.210 4.597 . 0 0 "[ . 1 . 2]" 1
530 1 24 ASN HA 1 27 GLU HG2 . . 6.000 4.600 3.626 5.154 . 0 0 "[ . 1 . 2]" 1
531 1 24 ASN HA 1 27 GLU QG . . 5.550 3.312 2.461 3.813 . 0 0 "[ . 1 . 2]" 1
532 1 24 ASN HA 1 27 GLU HG3 . . 6.000 3.403 2.504 3.928 . 0 0 "[ . 1 . 2]" 1
533 1 24 ASN QB 1 25 VAL H . . 4.210 2.574 2.385 2.722 . 0 0 "[ . 1 . 2]" 1
534 1 24 ASN QB 1 57 ALA H . . 6.880 4.959 4.542 5.329 . 0 0 "[ . 1 . 2]" 1
535 1 24 ASN QB 1 57 ALA HA . . 4.880 4.187 3.461 4.405 . 0 0 "[ . 1 . 2]" 1
536 1 24 ASN HB2 1 25 VAL H . . 4.500 2.828 2.441 3.602 . 0 0 "[ . 1 . 2]" 1
537 1 24 ASN HB3 1 25 VAL H . . 4.500 3.128 2.754 3.395 . 0 0 "[ . 1 . 2]" 1
538 1 24 ASN QD 1 57 ALA MB . . 6.800 2.125 1.838 2.537 . 0 0 "[ . 1 . 2]" 1
539 1 24 ASN HD21 1 57 ALA H . . 6.000 5.306 4.613 6.048 0.048 9 0 "[ . 1 . 2]" 1
540 1 24 ASN HD21 1 57 ALA HA . . 6.000 3.556 2.337 4.839 . 0 0 "[ . 1 . 2]" 1
541 1 24 ASN HD21 1 57 ALA MB . . 7.000 2.200 1.848 2.707 . 0 0 "[ . 1 . 2]" 1
542 1 24 ASN HD21 1 60 PHE QD . . 8.000 3.453 2.346 6.383 . 0 0 "[ . 1 . 2]" 1
543 1 24 ASN HD21 1 60 PHE QE . . 8.000 3.256 2.057 6.736 . 0 0 "[ . 1 . 2]" 1
544 1 24 ASN HD22 1 57 ALA H . . 6.000 6.016 5.562 6.089 0.089 13 0 "[ . 1 . 2]" 1
545 1 24 ASN HD22 1 57 ALA HA . . 6.000 3.653 3.001 4.108 . 0 0 "[ . 1 . 2]" 1
546 1 24 ASN HD22 1 57 ALA MB . . 7.000 3.061 2.648 3.476 . 0 0 "[ . 1 . 2]" 1
547 1 24 ASN HD22 1 60 PHE QD . . 8.000 3.079 2.180 6.027 . 0 0 "[ . 1 . 2]" 1
548 1 24 ASN HD22 1 60 PHE QE . . 8.000 3.792 2.553 6.614 . 0 0 "[ . 1 . 2]" 1
549 1 25 VAL H 1 25 VAL HB . . 3.300 2.588 2.450 2.744 . 0 0 "[ . 1 . 2]" 1
550 1 25 VAL H 1 25 VAL MG1 . . 4.600 3.795 3.747 3.826 . 0 0 "[ . 1 . 2]" 1
551 1 25 VAL H 1 25 VAL QG . . 3.870 2.177 2.098 2.247 . 0 0 "[ . 1 . 2]" 1
552 1 25 VAL H 1 25 VAL MG2 . . 4.600 2.191 2.108 2.263 . 0 0 "[ . 1 . 2]" 1
553 1 25 VAL H 1 26 LYS H . . 3.300 2.800 2.669 2.899 . 0 0 "[ . 1 . 2]" 1
554 1 25 VAL H 1 27 GLU H . . 4.400 4.112 4.038 4.197 . 0 0 "[ . 1 . 2]" 1
555 1 25 VAL H 1 57 ALA MB . . 5.300 4.305 3.897 4.453 . 0 0 "[ . 1 . 2]" 1
556 1 25 VAL HA 1 27 GLU H . . 4.900 4.237 4.135 4.335 . 0 0 "[ . 1 . 2]" 1
557 1 25 VAL HA 1 28 ILE H . . 4.100 3.465 3.391 3.780 . 0 0 "[ . 1 . 2]" 1
558 1 25 VAL HA 1 28 ILE HB . . 3.600 3.635 3.367 3.731 0.131 1 0 "[ . 1 . 2]" 1
559 1 25 VAL HA 1 28 ILE MD . . 3.600 2.480 1.984 3.813 0.213 3 0 "[ . 1 . 2]" 1
560 1 25 VAL HA 1 28 ILE QG . . 4.880 2.463 2.127 2.703 . 0 0 "[ . 1 . 2]" 1
561 1 25 VAL HA 1 28 ILE MG . . 6.500 4.575 4.328 4.704 . 0 0 "[ . 1 . 2]" 1
562 1 25 VAL HB 1 26 LYS H . . 3.900 2.621 2.542 2.701 . 0 0 "[ . 1 . 2]" 1
563 1 25 VAL QG 1 26 LYS H . . 5.120 3.235 3.174 3.286 . 0 0 "[ . 1 . 2]" 1
564 1 25 VAL QG 1 27 GLU H . . 8.560 4.609 4.562 4.671 . 0 0 "[ . 1 . 2]" 1
565 1 25 VAL QG 1 28 ILE H . . 6.260 4.077 3.954 4.175 . 0 0 "[ . 1 . 2]" 1
566 1 25 VAL QG 1 28 ILE HB . . 6.570 3.552 3.260 3.681 . 0 0 "[ . 1 . 2]" 1
567 1 25 VAL QG 1 28 ILE MD . . 7.960 2.644 2.041 4.111 . 0 0 "[ . 1 . 2]" 1
568 1 25 VAL QG 1 28 ILE MG . . 9.560 4.122 3.807 4.277 . 0 0 "[ . 1 . 2]" 1
569 1 25 VAL QG 1 34 ALA MB . . 8.560 1.883 1.791 1.981 . 0 0 "[ . 1 . 2]" 1
570 1 25 VAL QG 1 36 VAL QG . . 9.320 3.099 2.330 4.152 . 0 0 "[ . 1 . 2]" 1
571 1 25 VAL QG 1 43 ILE QG . . 6.940 3.228 2.811 3.458 . 0 0 "[ . 1 . 2]" 1
572 1 25 VAL QG 1 45 VAL QG . . 9.520 2.434 2.098 2.808 . 0 0 "[ . 1 . 2]" 1
573 1 25 VAL QG 1 54 VAL HA . . 6.460 2.819 2.418 3.040 . 0 0 "[ . 1 . 2]" 1
574 1 25 VAL QG 1 54 VAL HB . . 8.560 3.715 3.639 3.821 . 0 0 "[ . 1 . 2]" 1
575 1 25 VAL QG 1 54 VAL QG . . 8.480 1.719 1.679 1.764 . 0 0 "[ . 1 . 2]" 1
576 1 25 VAL QG 1 57 ALA H . . 8.560 5.292 4.716 5.544 . 0 0 "[ . 1 . 2]" 1
577 1 25 VAL QG 1 57 ALA MB . . 6.560 3.425 3.008 3.702 . 0 0 "[ . 1 . 2]" 1
578 1 25 VAL QG 1 58 GLY H . . 8.560 5.329 4.977 5.598 . 0 0 "[ . 1 . 2]" 1
579 1 25 VAL MG1 1 26 LYS H . . 5.500 3.459 3.353 3.595 . 0 0 "[ . 1 . 2]" 1
580 1 25 VAL MG1 1 28 ILE HB . . 7.000 3.618 3.307 3.757 . 0 0 "[ . 1 . 2]" 1
581 1 25 VAL MG1 1 54 VAL MG1 . . 11.120 3.508 3.342 3.686 . 0 0 "[ . 1 . 2]" 1
582 1 25 VAL MG1 1 54 VAL MG2 . . 11.120 2.312 2.042 2.646 . 0 0 "[ . 1 . 2]" 1
583 1 25 VAL MG2 1 26 LYS H . . 5.500 3.899 3.789 4.009 . 0 0 "[ . 1 . 2]" 1
584 1 25 VAL MG2 1 28 ILE HB . . 7.000 5.174 4.946 5.412 . 0 0 "[ . 1 . 2]" 1
585 1 25 VAL MG2 1 54 VAL MG1 . . 11.120 1.977 1.916 2.056 . 0 0 "[ . 1 . 2]" 1
586 1 25 VAL MG2 1 54 VAL MG2 . . 11.120 2.029 1.984 2.117 . 0 0 "[ . 1 . 2]" 1
587 1 26 LYS H 1 26 LYS HD2 . . 4.200 3.353 2.663 3.672 . 0 0 "[ . 1 . 2]" 1
588 1 26 LYS H 1 26 LYS QD . . 4.010 3.211 2.563 3.428 . 0 0 "[ . 1 . 2]" 1
589 1 26 LYS H 1 26 LYS HD3 . . 4.200 4.132 3.340 4.298 0.098 4 0 "[ . 1 . 2]" 1
590 1 26 LYS H 1 26 LYS HG2 . . 5.400 3.938 3.724 4.308 . 0 0 "[ . 1 . 2]" 1
591 1 26 LYS H 1 26 LYS QG . . 4.990 2.678 2.411 3.540 . 0 0 "[ . 1 . 2]" 1
592 1 26 LYS H 1 26 LYS HG3 . . 5.400 2.734 2.442 3.793 . 0 0 "[ . 1 . 2]" 1
593 1 26 LYS H 1 27 GLU H . . 3.300 2.861 2.783 3.004 . 0 0 "[ . 1 . 2]" 1
594 1 26 LYS H 1 28 ILE MD . . 7.000 5.233 4.776 6.197 . 0 0 "[ . 1 . 2]" 1
595 1 26 LYS HA 1 26 LYS HD2 . . 4.900 4.322 3.182 4.589 . 0 0 "[ . 1 . 2]" 1
596 1 26 LYS HA 1 26 LYS QD . . 4.530 3.881 3.096 3.995 . 0 0 "[ . 1 . 2]" 1
597 1 26 LYS HA 1 26 LYS HD3 . . 4.900 4.436 4.238 4.573 . 0 0 "[ . 1 . 2]" 1
598 1 26 LYS QB 1 26 LYS QD . . 3.000 2.132 2.049 2.341 . 0 0 "[ . 1 . 2]" 1
599 1 26 LYS QB 1 27 GLU H . . 4.170 2.838 2.722 2.950 . 0 0 "[ . 1 . 2]" 1
600 1 26 LYS QB 1 34 ALA H . . 6.880 6.156 6.129 6.182 . 0 0 "[ . 1 . 2]" 1
601 1 26 LYS HB2 1 26 LYS HD2 . . 3.800 2.629 2.381 3.053 . 0 0 "[ . 1 . 2]" 1
602 1 26 LYS HB2 1 26 LYS HD3 . . 3.800 2.515 2.308 2.682 . 0 0 "[ . 1 . 2]" 1
603 1 26 LYS HB2 1 27 GLU H . . 4.600 2.989 2.852 3.097 . 0 0 "[ . 1 . 2]" 1
604 1 26 LYS HB3 1 26 LYS HD2 . . 3.800 3.545 3.333 3.836 0.036 3 0 "[ . 1 . 2]" 1
605 1 26 LYS HB3 1 26 LYS HD3 . . 3.800 2.717 2.362 3.640 . 0 0 "[ . 1 . 2]" 1
606 1 26 LYS HB3 1 27 GLU H . . 4.600 3.545 3.342 3.765 . 0 0 "[ . 1 . 2]" 1
607 1 26 LYS QD 1 27 GLU H . . 6.880 4.838 4.682 4.992 . 0 0 "[ . 1 . 2]" 1
608 1 26 LYS QD 1 34 ALA H . . 6.880 5.192 3.785 5.712 . 0 0 "[ . 1 . 2]" 1
609 1 26 LYS QE 1 34 ALA H . . 7.000 3.919 3.005 5.153 . 0 0 "[ . 1 . 2]" 1
610 1 26 LYS HG2 1 27 GLU H . . 6.000 5.271 5.188 5.398 . 0 0 "[ . 1 . 2]" 1
611 1 26 LYS HG3 1 27 GLU H . . 6.000 4.846 4.716 5.114 . 0 0 "[ . 1 . 2]" 1
612 1 27 GLU H 1 27 GLU HB2 . . 3.900 2.431 2.221 2.650 . 0 0 "[ . 1 . 2]" 1
613 1 27 GLU H 1 27 GLU QB . . 3.500 2.394 2.199 2.590 . 0 0 "[ . 1 . 2]" 1
614 1 27 GLU H 1 27 GLU HB3 . . 3.900 3.599 3.533 3.645 . 0 0 "[ . 1 . 2]" 1
615 1 27 GLU H 1 27 GLU HG2 . . 3.900 3.286 2.355 3.790 . 0 0 "[ . 1 . 2]" 1
616 1 27 GLU H 1 27 GLU QG . . 3.650 2.400 2.240 2.794 . 0 0 "[ . 1 . 2]" 1
617 1 27 GLU H 1 27 GLU HG3 . . 3.900 2.670 2.328 3.707 . 0 0 "[ . 1 . 2]" 1
618 1 27 GLU H 1 28 ILE H . . 3.200 2.841 2.772 2.991 . 0 0 "[ . 1 . 2]" 1
619 1 27 GLU H 1 28 ILE MD . . 7.000 5.061 4.736 5.219 . 0 0 "[ . 1 . 2]" 1
620 1 27 GLU H 1 28 ILE QG . . 6.880 4.081 3.987 4.297 . 0 0 "[ . 1 . 2]" 1
621 1 27 GLU HA 1 27 GLU HG2 . . 3.700 2.522 2.388 2.707 . 0 0 "[ . 1 . 2]" 1
622 1 27 GLU HA 1 27 GLU HG3 . . 3.700 3.170 2.724 3.732 0.032 17 0 "[ . 1 . 2]" 1
623 1 27 GLU QB 1 28 ILE H . . 3.980 3.326 2.978 3.625 . 0 0 "[ . 1 . 2]" 1
624 1 27 GLU QG 1 28 ILE H . . 5.590 4.513 4.319 4.660 . 0 0 "[ . 1 . 2]" 1
625 1 27 GLU HG2 1 28 ILE H . . 6.000 5.227 4.733 5.511 . 0 0 "[ . 1 . 2]" 1
626 1 27 GLU HG3 1 28 ILE H . . 6.000 4.998 4.717 5.663 . 0 0 "[ . 1 . 2]" 1
627 1 28 ILE H 1 28 ILE HB . . 2.900 2.510 2.406 2.626 . 0 0 "[ . 1 . 2]" 1
628 1 28 ILE H 1 28 ILE MD . . 4.100 3.468 3.269 3.658 . 0 0 "[ . 1 . 2]" 1
629 1 28 ILE H 1 28 ILE HG12 . . 4.000 3.317 2.210 3.833 . 0 0 "[ . 1 . 2]" 1
630 1 28 ILE H 1 28 ILE QG . . 3.610 2.270 2.064 2.476 . 0 0 "[ . 1 . 2]" 1
631 1 28 ILE H 1 28 ILE HG13 . . 4.000 2.634 2.080 3.768 . 0 0 "[ . 1 . 2]" 1
632 1 28 ILE H 1 29 GLU H . . 5.400 4.487 4.252 4.643 . 0 0 "[ . 1 . 2]" 1
633 1 28 ILE H 1 31 VAL QG . . 7.560 3.386 3.241 3.714 . 0 0 "[ . 1 . 2]" 1
634 1 28 ILE HA 1 28 ILE MD . . 4.600 3.531 2.214 3.995 . 0 0 "[ . 1 . 2]" 1
635 1 28 ILE HA 1 28 ILE QG . . 3.850 2.705 2.368 3.050 . 0 0 "[ . 1 . 2]" 1
636 1 28 ILE HA 1 29 GLU H . . 2.800 2.179 2.038 2.287 . 0 0 "[ . 1 . 2]" 1
637 1 28 ILE HB 1 29 GLU H . . 4.000 4.131 4.039 4.228 0.228 14 0 "[ . 1 . 2]" 1
638 1 28 ILE HB 1 31 VAL H . . 4.400 3.347 2.950 4.222 . 0 0 "[ . 1 . 2]" 1
639 1 28 ILE HB 1 31 VAL QG . . 5.860 2.324 2.035 2.785 . 0 0 "[ . 1 . 2]" 1
640 1 28 ILE MD 1 29 GLU H . . 6.900 4.905 3.660 5.438 . 0 0 "[ . 1 . 2]" 1
641 1 28 ILE MD 1 53 GLN QE . . 7.870 4.075 3.184 4.686 . 0 0 "[ . 1 . 2]" 1
642 1 28 ILE MD 1 54 VAL HA . . 4.600 3.291 2.825 4.345 . 0 0 "[ . 1 . 2]" 1
643 1 28 ILE QG 1 31 VAL H . . 6.780 5.196 4.979 5.538 . 0 0 "[ . 1 . 2]" 1
644 1 28 ILE QG 1 31 VAL QG . . 6.040 3.712 3.366 4.008 . 0 0 "[ . 1 . 2]" 1
645 1 28 ILE QG 1 54 VAL HA . . 5.790 4.490 3.746 4.935 . 0 0 "[ . 1 . 2]" 1
646 1 28 ILE HG12 1 29 GLU H . . 6.000 4.815 4.067 5.173 . 0 0 "[ . 1 . 2]" 1
647 1 28 ILE HG12 1 54 VAL HA . . 6.000 5.221 4.817 5.586 . 0 0 "[ . 1 . 2]" 1
648 1 28 ILE HG13 1 29 GLU H . . 6.000 5.212 4.794 5.722 . 0 0 "[ . 1 . 2]" 1
649 1 28 ILE HG13 1 54 VAL HA . . 6.000 4.931 3.905 5.495 . 0 0 "[ . 1 . 2]" 1
650 1 28 ILE MG 1 29 GLU H . . 4.400 2.700 2.277 3.177 . 0 0 "[ . 1 . 2]" 1
651 1 28 ILE MG 1 30 GLY H . . 5.000 2.501 1.846 4.195 . 0 0 "[ . 1 . 2]" 1
652 1 28 ILE MG 1 31 VAL H . . 5.000 2.710 2.298 3.309 . 0 0 "[ . 1 . 2]" 1
653 1 28 ILE MG 1 50 SER H . . 7.000 5.237 4.613 5.805 . 0 0 "[ . 1 . 2]" 1
654 1 28 ILE MG 1 53 GLN HE21 . . 5.000 3.273 2.288 4.182 . 0 0 "[ . 1 . 2]" 1
655 1 28 ILE MG 1 53 GLN HE22 . . 5.000 2.900 2.367 3.736 . 0 0 "[ . 1 . 2]" 1
656 1 28 ILE MG 1 54 VAL HA . . 7.000 5.746 5.248 5.862 . 0 0 "[ . 1 . 2]" 1
657 1 29 GLU H 1 29 GLU HB2 . . 3.300 2.191 2.087 2.580 . 0 0 "[ . 1 . 2]" 1
658 1 29 GLU H 1 29 GLU HB3 . . 3.300 3.389 2.630 3.457 0.157 2 0 "[ . 1 . 2]" 1
659 1 29 GLU H 1 29 GLU HG2 . . 4.500 3.586 2.602 4.517 0.017 6 0 "[ . 1 . 2]" 1
660 1 29 GLU H 1 29 GLU HG3 . . 4.500 3.153 2.329 4.472 . 0 0 "[ . 1 . 2]" 1
661 1 29 GLU H 1 30 GLY H . . 4.400 3.159 2.461 4.447 0.047 15 0 "[ . 1 . 2]" 1
662 1 29 GLU H 1 31 VAL QG . . 8.560 4.791 4.418 5.128 . 0 0 "[ . 1 . 2]" 1
663 1 29 GLU HA 1 30 GLY H . . 3.300 2.963 2.134 3.425 0.125 14 0 "[ . 1 . 2]" 1
664 1 29 GLU HA 1 31 VAL H . . 4.000 3.976 3.778 4.075 0.075 10 0 "[ . 1 . 2]" 1
665 1 29 GLU QB 1 30 GLY H . . 4.260 3.246 2.645 3.839 . 0 0 "[ . 1 . 2]" 1
666 1 29 GLU HB2 1 30 GLY H . . 4.500 3.640 2.753 4.534 0.034 19 0 "[ . 1 . 2]" 1
667 1 29 GLU HB3 1 30 GLY H . . 4.500 3.804 3.167 4.314 . 0 0 "[ . 1 . 2]" 1
668 1 29 GLU HG2 1 30 GLY H . . 6.000 4.909 3.080 5.497 . 0 0 "[ . 1 . 2]" 1
669 1 29 GLU HG3 1 30 GLY H . . 6.000 4.962 3.535 5.829 . 0 0 "[ . 1 . 2]" 1
670 1 30 GLY H 1 31 VAL H . . 3.300 2.549 1.903 3.034 . 0 0 "[ . 1 . 2]" 1
671 1 30 GLY H 1 31 VAL HA . . 5.700 5.062 4.344 5.435 . 0 0 "[ . 1 . 2]" 1
672 1 30 GLY H 1 31 VAL QG . . 8.560 3.808 3.091 4.576 . 0 0 "[ . 1 . 2]" 1
673 1 31 VAL H 1 31 VAL HB . . 3.000 2.596 2.318 3.052 0.052 3 0 "[ . 1 . 2]" 1
674 1 31 VAL H 1 31 VAL MG1 . . 4.400 2.143 1.903 2.737 . 0 0 "[ . 1 . 2]" 1
675 1 31 VAL H 1 31 VAL QG . . 4.010 2.127 1.898 2.667 . 0 0 "[ . 1 . 2]" 1
676 1 31 VAL H 1 31 VAL MG2 . . 4.400 3.746 3.682 3.789 . 0 0 "[ . 1 . 2]" 1
677 1 31 VAL H 1 32 THR H . . 5.600 4.520 4.382 4.668 . 0 0 "[ . 1 . 2]" 1
678 1 31 VAL HA 1 32 THR H . . 2.800 2.455 2.295 2.692 . 0 0 "[ . 1 . 2]" 1
679 1 31 VAL HB 1 32 THR H . . 5.400 3.997 3.836 4.094 . 0 0 "[ . 1 . 2]" 1
680 1 31 VAL QG 1 32 THR H . . 5.020 2.030 1.790 2.184 . 0 0 "[ . 1 . 2]" 1
681 1 31 VAL QG 1 33 GLU H . . 4.110 2.753 2.384 3.031 . 0 0 "[ . 1 . 2]" 1
682 1 31 VAL QG 1 34 ALA H . . 6.520 4.040 3.307 4.387 . 0 0 "[ . 1 . 2]" 1
683 1 31 VAL QG 1 45 VAL HB . . 8.560 4.292 4.020 4.403 . 0 0 "[ . 1 . 2]" 1
684 1 31 VAL QG 1 45 VAL QG . . 8.220 1.945 1.863 2.000 . 0 0 "[ . 1 . 2]" 1
685 1 31 VAL QG 1 47 GLY H . . 8.560 3.955 3.221 4.366 . 0 0 "[ . 1 . 2]" 1
686 1 31 VAL QG 1 49 ALA H . . 6.620 3.754 3.223 4.268 . 0 0 "[ . 1 . 2]" 1
687 1 31 VAL MG1 1 32 THR H . . 6.200 3.211 2.398 3.791 . 0 0 "[ . 1 . 2]" 1
688 1 31 VAL MG1 1 33 GLU H . . 5.200 4.186 3.521 4.354 . 0 0 "[ . 1 . 2]" 1
689 1 31 VAL MG1 1 34 ALA H . . 7.000 4.874 4.184 5.353 . 0 0 "[ . 1 . 2]" 1
690 1 31 VAL MG1 1 49 ALA H . . 6.900 5.789 5.772 5.814 . 0 0 "[ . 1 . 2]" 1
691 1 31 VAL MG2 1 32 THR H . . 6.200 2.061 1.843 2.222 . 0 0 "[ . 1 . 2]" 1
692 1 31 VAL MG2 1 33 GLU H . . 5.200 2.811 2.395 3.308 . 0 0 "[ . 1 . 2]" 1
693 1 31 VAL MG2 1 34 ALA H . . 7.000 4.347 3.465 5.001 . 0 0 "[ . 1 . 2]" 1
694 1 31 VAL MG2 1 49 ALA H . . 6.900 3.809 3.239 4.397 . 0 0 "[ . 1 . 2]" 1
695 1 32 THR H 1 32 THR MG . . 4.200 3.886 3.808 3.965 . 0 0 "[ . 1 . 2]" 1
696 1 32 THR H 1 33 GLU H . . 3.000 2.152 2.094 2.360 . 0 0 "[ . 1 . 2]" 1
697 1 32 THR H 1 46 THR HB . . 6.000 4.671 4.456 5.183 . 0 0 "[ . 1 . 2]" 1
698 1 32 THR H 1 47 GLY HA2 . . 4.000 3.212 2.594 3.647 . 0 0 "[ . 1 . 2]" 1
699 1 32 THR H 1 47 GLY QA . . 3.650 2.072 1.901 2.430 . 0 0 "[ . 1 . 2]" 1
700 1 32 THR H 1 47 GLY HA3 . . 4.000 2.099 1.954 2.467 . 0 0 "[ . 1 . 2]" 1
701 1 32 THR HA 1 33 GLU H . . 3.600 3.625 3.610 3.676 0.076 9 0 "[ . 1 . 2]" 1
702 1 32 THR HB 1 33 GLU H . . 4.300 2.357 2.253 2.565 . 0 0 "[ . 1 . 2]" 1
703 1 32 THR MG 1 33 GLU H . . 5.100 3.350 3.118 3.484 . 0 0 "[ . 1 . 2]" 1
704 1 33 GLU H 1 33 GLU HB2 . . 4.000 2.734 2.314 2.905 . 0 0 "[ . 1 . 2]" 1
705 1 33 GLU H 1 33 GLU HB3 . . 4.000 3.819 3.451 3.942 . 0 0 "[ . 1 . 2]" 1
706 1 33 GLU H 1 33 GLU HG2 . . 4.000 3.885 3.554 4.030 0.030 17 0 "[ . 1 . 2]" 1
707 1 33 GLU H 1 33 GLU HG3 . . 4.000 3.651 3.210 4.192 0.192 9 0 "[ . 1 . 2]" 1
708 1 33 GLU H 1 34 ALA H . . 4.700 4.466 4.104 4.567 . 0 0 "[ . 1 . 2]" 1
709 1 33 GLU H 1 34 ALA HA . . 6.000 4.944 4.761 5.039 . 0 0 "[ . 1 . 2]" 1
710 1 33 GLU H 1 46 THR H . . 3.200 3.226 3.111 3.255 0.055 18 0 "[ . 1 . 2]" 1
711 1 33 GLU H 1 46 THR HB . . 4.200 3.010 2.853 3.238 . 0 0 "[ . 1 . 2]" 1
712 1 33 GLU H 1 46 THR MG . . 5.000 3.371 2.974 3.797 . 0 0 "[ . 1 . 2]" 1
713 1 33 GLU H 1 47 GLY HA2 . . 3.700 3.788 3.707 3.862 0.162 4 0 "[ . 1 . 2]" 1
714 1 33 GLU H 1 47 GLY QA . . 3.440 3.235 3.186 3.284 . 0 0 "[ . 1 . 2]" 1
715 1 33 GLU H 1 47 GLY HA3 . . 3.700 3.513 3.427 3.613 . 0 0 "[ . 1 . 2]" 1
716 1 33 GLU HA 1 34 ALA H . . 2.800 2.268 2.159 2.380 . 0 0 "[ . 1 . 2]" 1
717 1 33 GLU QB 1 34 ALA H . . 4.400 2.734 2.400 3.543 . 0 0 "[ . 1 . 2]" 1
718 1 33 GLU HB2 1 34 ALA H . . 5.000 3.999 3.702 4.507 . 0 0 "[ . 1 . 2]" 1
719 1 33 GLU HB2 1 46 THR H . . 6.000 4.268 4.147 4.515 . 0 0 "[ . 1 . 2]" 1
720 1 33 GLU HB3 1 34 ALA H . . 5.000 2.789 2.432 3.705 . 0 0 "[ . 1 . 2]" 1
721 1 33 GLU HB3 1 46 THR H . . 6.000 4.928 4.221 5.216 . 0 0 "[ . 1 . 2]" 1
722 1 33 GLU QG 1 34 ALA H . . 5.640 3.951 3.655 4.369 . 0 0 "[ . 1 . 2]" 1
723 1 33 GLU HG2 1 34 ALA H . . 5.900 4.126 3.884 4.552 . 0 0 "[ . 1 . 2]" 1
724 1 33 GLU HG3 1 34 ALA H . . 5.900 5.069 4.346 5.631 . 0 0 "[ . 1 . 2]" 1
725 1 34 ALA H 1 35 ILE H . . 5.100 4.252 4.161 4.461 . 0 0 "[ . 1 . 2]" 1
726 1 34 ALA H 1 35 ILE QG . . 6.880 3.787 3.235 4.759 . 0 0 "[ . 1 . 2]" 1
727 1 34 ALA HA 1 35 ILE H . . 2.900 2.246 2.191 2.320 . 0 0 "[ . 1 . 2]" 1
728 1 34 ALA HA 1 45 VAL HA . . 3.000 2.414 2.289 2.544 . 0 0 "[ . 1 . 2]" 1
729 1 34 ALA HA 1 45 VAL MG1 . . 7.000 4.545 4.235 4.810 . 0 0 "[ . 1 . 2]" 1
730 1 34 ALA HA 1 45 VAL QG . . 6.720 3.597 3.421 3.823 . 0 0 "[ . 1 . 2]" 1
731 1 34 ALA HA 1 45 VAL MG2 . . 7.000 3.790 3.535 4.151 . 0 0 "[ . 1 . 2]" 1
732 1 34 ALA HA 1 46 THR H . . 3.500 3.242 2.741 3.388 . 0 0 "[ . 1 . 2]" 1
733 1 34 ALA MB 1 35 ILE H . . 4.400 2.973 2.709 3.241 . 0 0 "[ . 1 . 2]" 1
734 1 34 ALA MB 1 45 VAL HA . . 5.300 2.666 2.316 3.271 . 0 0 "[ . 1 . 2]" 1
735 1 34 ALA MB 1 45 VAL QG . . 6.360 2.606 2.299 3.157 . 0 0 "[ . 1 . 2]" 1
736 1 35 ILE H 1 35 ILE HB . . 3.600 2.789 2.679 2.897 . 0 0 "[ . 1 . 2]" 1
737 1 35 ILE H 1 35 ILE MD . . 4.300 3.666 2.289 4.186 . 0 0 "[ . 1 . 2]" 1
738 1 35 ILE H 1 35 ILE HG12 . . 4.300 3.905 2.772 4.361 0.061 11 0 "[ . 1 . 2]" 1
739 1 35 ILE H 1 35 ILE QG . . 4.110 3.010 2.734 3.569 . 0 0 "[ . 1 . 2]" 1
740 1 35 ILE H 1 35 ILE HG13 . . 4.300 3.422 2.948 4.293 . 0 0 "[ . 1 . 2]" 1
741 1 35 ILE H 1 36 VAL H . . 4.800 4.006 3.720 4.338 . 0 0 "[ . 1 . 2]" 1
742 1 35 ILE H 1 44 THR H . . 3.200 3.082 2.875 3.221 0.021 10 0 "[ . 1 . 2]" 1
743 1 35 ILE H 1 44 THR HB . . 5.800 2.445 2.040 2.827 . 0 0 "[ . 1 . 2]" 1
744 1 35 ILE H 1 44 THR MG . . 4.600 3.338 3.011 3.724 . 0 0 "[ . 1 . 2]" 1
745 1 35 ILE H 1 45 VAL HA . . 3.800 3.816 3.756 3.881 0.081 12 0 "[ . 1 . 2]" 1
746 1 35 ILE H 1 45 VAL HB . . 6.000 6.054 5.980 6.130 0.130 13 0 "[ . 1 . 2]" 1
747 1 35 ILE HA 1 35 ILE MD . . 4.700 3.442 2.193 3.974 . 0 0 "[ . 1 . 2]" 1
748 1 35 ILE HA 1 36 VAL H . . 3.000 2.210 2.173 2.299 . 0 0 "[ . 1 . 2]" 1
749 1 35 ILE HB 1 36 VAL H . . 4.800 4.455 4.168 4.555 . 0 0 "[ . 1 . 2]" 1
750 1 35 ILE HB 1 44 THR H . . 5.700 3.669 3.273 3.831 . 0 0 "[ . 1 . 2]" 1
751 1 35 ILE MD 1 36 VAL H . . 7.000 5.090 3.951 5.615 . 0 0 "[ . 1 . 2]" 1
752 1 35 ILE MD 1 44 THR H . . 7.000 5.261 4.542 5.872 . 0 0 "[ . 1 . 2]" 1
753 1 35 ILE QG 1 44 THR H . . 6.180 5.185 4.749 5.542 . 0 0 "[ . 1 . 2]" 1
754 1 35 ILE HG12 1 36 VAL H . . 6.000 5.106 4.635 5.831 . 0 0 "[ . 1 . 2]" 1
755 1 35 ILE HG13 1 36 VAL H . . 6.000 5.253 4.743 5.907 . 0 0 "[ . 1 . 2]" 1
756 1 35 ILE MG 1 36 VAL H . . 6.500 3.259 2.640 3.646 . 0 0 "[ . 1 . 2]" 1
757 1 36 VAL H 1 36 VAL HB . . 3.700 3.220 2.382 3.727 0.027 1 0 "[ . 1 . 2]" 1
758 1 36 VAL H 1 37 ASN H . . 5.300 4.511 4.208 4.634 . 0 0 "[ . 1 . 2]" 1
759 1 36 VAL H 1 43 ILE QG . . 6.880 4.442 3.952 4.946 . 0 0 "[ . 1 . 2]" 1
760 1 36 VAL HA 1 37 ASN H . . 2.900 2.227 2.150 2.306 . 0 0 "[ . 1 . 2]" 1
761 1 36 VAL HA 1 43 ILE H . . 6.000 4.968 4.782 5.197 . 0 0 "[ . 1 . 2]" 1
762 1 36 VAL HA 1 43 ILE HA . . 2.700 2.140 2.074 2.320 . 0 0 "[ . 1 . 2]" 1
763 1 36 VAL HA 1 43 ILE HB . . 4.100 3.331 2.691 3.628 . 0 0 "[ . 1 . 2]" 1
764 1 36 VAL HA 1 43 ILE HG12 . . 5.500 2.849 2.343 4.767 . 0 0 "[ . 1 . 2]" 1
765 1 36 VAL HA 1 43 ILE QG . . 5.230 2.735 2.305 3.257 . 0 0 "[ . 1 . 2]" 1
766 1 36 VAL HA 1 43 ILE HG13 . . 5.500 4.147 3.221 4.768 . 0 0 "[ . 1 . 2]" 1
767 1 36 VAL HA 1 44 THR H . . 3.700 3.071 2.661 3.619 . 0 0 "[ . 1 . 2]" 1
768 1 36 VAL HB 1 37 ASN H . . 5.300 3.793 3.009 4.570 . 0 0 "[ . 1 . 2]" 1
769 1 36 VAL HB 1 43 ILE HA . . 6.000 3.862 3.180 5.260 . 0 0 "[ . 1 . 2]" 1
770 1 36 VAL HB 1 43 ILE HG12 . . 5.400 2.937 2.223 4.522 . 0 0 "[ . 1 . 2]" 1
771 1 36 VAL HB 1 43 ILE QG . . 4.800 2.752 2.186 4.308 . 0 0 "[ . 1 . 2]" 1
772 1 36 VAL HB 1 43 ILE HG13 . . 5.400 3.725 2.570 5.450 0.050 16 0 "[ . 1 . 2]" 1
773 1 36 VAL QG 1 37 ASN H . . 5.020 3.104 2.302 3.673 . 0 0 "[ . 1 . 2]" 1
774 1 36 VAL QG 1 38 PHE H . . 8.560 2.940 1.996 4.529 . 0 0 "[ . 1 . 2]" 1
775 1 36 VAL QG 1 38 PHE QD . . 10.560 2.237 1.990 2.912 . 0 0 "[ . 1 . 2]" 1
776 1 36 VAL QG 1 38 PHE QE . . 8.260 2.560 2.074 3.263 . 0 0 "[ . 1 . 2]" 1
777 1 36 VAL QG 1 42 LYS H . . 8.560 5.310 4.103 6.072 . 0 0 "[ . 1 . 2]" 1
778 1 36 VAL QG 1 42 LYS HA . . 8.560 5.879 5.139 6.419 . 0 0 "[ . 1 . 2]" 1
779 1 36 VAL QG 1 43 ILE HA . . 7.660 3.298 2.816 3.770 . 0 0 "[ . 1 . 2]" 1
780 1 36 VAL QG 1 43 ILE HB . . 6.560 3.063 2.221 3.830 . 0 0 "[ . 1 . 2]" 1
781 1 36 VAL QG 1 43 ILE QG . . 5.900 2.209 1.882 2.865 . 0 0 "[ . 1 . 2]" 1
782 1 36 VAL QG 1 54 VAL QG . . 8.130 3.686 3.179 4.244 . 0 0 "[ . 1 . 2]" 1
783 1 36 VAL MG1 1 37 ASN H . . 5.400 4.027 2.887 4.473 . 0 0 "[ . 1 . 2]" 1
784 1 36 VAL MG1 1 43 ILE HG12 . . 7.000 2.928 1.977 4.224 . 0 0 "[ . 1 . 2]" 1
785 1 36 VAL MG1 1 43 ILE HG13 . . 7.000 3.623 2.014 5.026 . 0 0 "[ . 1 . 2]" 1
786 1 36 VAL MG1 1 54 VAL MG1 . . 10.320 4.364 3.350 5.414 . 0 0 "[ . 1 . 2]" 1
787 1 36 VAL MG1 1 54 VAL MG2 . . 10.320 5.350 4.181 6.658 . 0 0 "[ . 1 . 2]" 1
788 1 36 VAL MG2 1 37 ASN H . . 5.400 3.432 2.316 4.437 . 0 0 "[ . 1 . 2]" 1
789 1 36 VAL MG2 1 43 ILE HG12 . . 7.000 3.425 2.045 5.365 . 0 0 "[ . 1 . 2]" 1
790 1 36 VAL MG2 1 43 ILE HG13 . . 7.000 3.878 2.491 5.189 . 0 0 "[ . 1 . 2]" 1
791 1 36 VAL MG2 1 54 VAL MG1 . . 10.320 4.702 3.584 5.588 . 0 0 "[ . 1 . 2]" 1
792 1 36 VAL MG2 1 54 VAL MG2 . . 10.320 5.966 4.521 6.767 . 0 0 "[ . 1 . 2]" 1
793 1 37 ASN H 1 37 ASN HB2 . . 4.100 2.602 2.419 2.815 . 0 0 "[ . 1 . 2]" 1
794 1 37 ASN H 1 37 ASN QB . . 3.850 2.555 2.386 2.752 . 0 0 "[ . 1 . 2]" 1
795 1 37 ASN H 1 37 ASN HB3 . . 4.100 3.738 3.642 3.877 . 0 0 "[ . 1 . 2]" 1
796 1 37 ASN H 1 38 PHE H . . 4.300 2.951 2.113 4.035 . 0 0 "[ . 1 . 2]" 1
797 1 37 ASN H 1 42 LYS H . . 3.600 3.507 3.292 3.620 0.020 17 0 "[ . 1 . 2]" 1
798 1 37 ASN H 1 42 LYS QB . . 6.880 5.023 4.234 5.256 . 0 0 "[ . 1 . 2]" 1
799 1 37 ASN H 1 42 LYS QD . . 7.000 5.503 2.957 6.305 . 0 0 "[ . 1 . 2]" 1
800 1 37 ASN H 1 42 LYS HG2 . . 6.000 4.705 3.530 5.950 . 0 0 "[ . 1 . 2]" 1
801 1 37 ASN H 1 42 LYS HG3 . . 6.000 4.849 2.918 6.004 0.004 3 0 "[ . 1 . 2]" 1
802 1 37 ASN H 1 43 ILE HA . . 3.400 2.878 2.513 3.217 . 0 0 "[ . 1 . 2]" 1
803 1 37 ASN H 1 43 ILE HB . . 6.000 3.799 3.257 4.225 . 0 0 "[ . 1 . 2]" 1
804 1 37 ASN H 1 43 ILE MD . . 6.800 5.455 5.031 5.845 . 0 0 "[ . 1 . 2]" 1
805 1 37 ASN HA 1 38 PHE H . . 3.600 2.838 2.174 3.610 0.010 7 0 "[ . 1 . 2]" 1
806 1 37 ASN QB 1 40 ALA H . . 5.790 4.489 3.170 5.245 . 0 0 "[ . 1 . 2]" 1
807 1 37 ASN QB 1 42 LYS H . . 5.840 2.445 1.959 4.097 . 0 0 "[ . 1 . 2]" 1
808 1 37 ASN QB 1 42 LYS QB . . 6.150 4.403 3.016 4.779 . 0 0 "[ . 1 . 2]" 1
809 1 37 ASN QB 1 42 LYS QD . . 7.880 3.885 2.255 5.060 . 0 0 "[ . 1 . 2]" 1
810 1 37 ASN QB 1 42 LYS QG . . 5.370 2.928 2.077 3.671 . 0 0 "[ . 1 . 2]" 1
811 1 37 ASN HB2 1 38 PHE H . . 6.000 3.745 2.163 4.548 . 0 0 "[ . 1 . 2]" 1
812 1 37 ASN HB2 1 40 ALA H . . 6.000 5.385 4.198 6.040 0.040 12 0 "[ . 1 . 2]" 1
813 1 37 ASN HB2 1 42 LYS H . . 6.000 2.511 1.971 4.409 . 0 0 "[ . 1 . 2]" 1
814 1 37 ASN HB2 1 42 LYS HG2 . . 6.750 3.414 2.646 4.703 . 0 0 "[ . 1 . 2]" 1
815 1 37 ASN HB2 1 42 LYS HG3 . . 6.750 3.990 2.127 5.450 . 0 0 "[ . 1 . 2]" 1
816 1 37 ASN HB3 1 38 PHE H . . 6.000 3.964 3.232 4.495 . 0 0 "[ . 1 . 2]" 1
817 1 37 ASN HB3 1 40 ALA H . . 6.000 4.855 3.251 5.998 . 0 0 "[ . 1 . 2]" 1
818 1 37 ASN HB3 1 42 LYS H . . 6.000 3.706 3.200 4.866 . 0 0 "[ . 1 . 2]" 1
819 1 37 ASN HB3 1 42 LYS HG2 . . 6.750 4.624 3.355 6.036 . 0 0 "[ . 1 . 2]" 1
820 1 37 ASN HB3 1 42 LYS HG3 . . 6.750 5.367 2.590 6.709 . 0 0 "[ . 1 . 2]" 1
821 1 37 ASN QD 1 42 LYS QG . . 6.520 3.546 2.292 5.024 . 0 0 "[ . 1 . 2]" 1
822 1 37 ASN HD21 1 42 LYS HG2 . . 7.650 4.277 2.784 6.977 . 0 0 "[ . 1 . 2]" 1
823 1 37 ASN HD21 1 42 LYS HG3 . . 7.650 4.561 2.915 6.718 . 0 0 "[ . 1 . 2]" 1
824 1 37 ASN HD22 1 42 LYS HG2 . . 7.650 5.045 2.978 7.620 . 0 0 "[ . 1 . 2]" 1
825 1 37 ASN HD22 1 42 LYS HG3 . . 7.650 5.138 2.899 6.190 . 0 0 "[ . 1 . 2]" 1
826 1 38 PHE H 1 38 PHE QE . . 7.000 4.904 4.491 5.954 . 0 0 "[ . 1 . 2]" 1
827 1 38 PHE H 1 39 GLY H . . 5.200 4.125 2.757 4.796 . 0 0 "[ . 1 . 2]" 1
828 1 38 PHE HA 1 40 ALA H . . 6.000 3.838 3.135 4.311 . 0 0 "[ . 1 . 2]" 1
829 1 38 PHE HA 1 41 SER H . . 5.300 4.097 3.446 5.040 . 0 0 "[ . 1 . 2]" 1
830 1 38 PHE QB 1 39 GLY QA . . 5.490 3.652 3.432 4.285 . 0 0 "[ . 1 . 2]" 1
831 1 38 PHE HB2 1 39 GLY H . . 5.500 3.612 2.863 4.649 . 0 0 "[ . 1 . 2]" 1
832 1 38 PHE HB2 1 39 GLY HA2 . . 7.050 5.040 4.311 6.029 . 0 0 "[ . 1 . 2]" 1
833 1 38 PHE HB2 1 39 GLY HA3 . . 7.050 5.047 4.352 6.116 . 0 0 "[ . 1 . 2]" 1
834 1 38 PHE HB3 1 39 GLY H . . 5.500 2.906 1.962 4.389 . 0 0 "[ . 1 . 2]" 1
835 1 38 PHE HB3 1 39 GLY HA2 . . 7.050 4.165 3.849 4.887 . 0 0 "[ . 1 . 2]" 1
836 1 38 PHE HB3 1 39 GLY HA3 . . 7.050 4.692 4.169 5.248 . 0 0 "[ . 1 . 2]" 1
837 1 38 PHE QD 1 39 GLY H . . 8.000 4.022 2.966 4.674 . 0 0 "[ . 1 . 2]" 1
838 1 38 PHE QD 1 39 GLY QA . . 8.880 5.119 4.524 5.360 . 0 0 "[ . 1 . 2]" 1
839 1 38 PHE QD 1 65 ILE QG . . 8.680 5.933 4.941 6.916 . 0 0 "[ . 1 . 2]" 1
840 1 38 PHE QE 1 39 GLY QA . . 8.880 6.935 5.961 7.196 . 0 0 "[ . 1 . 2]" 1
841 1 38 PHE QE 1 43 ILE MD . . 9.000 4.811 2.847 6.499 . 0 0 "[ . 1 . 2]" 1
842 1 38 PHE QE 1 43 ILE QG . . 8.680 3.486 2.161 5.329 . 0 0 "[ . 1 . 2]" 1
843 1 38 PHE QE 1 54 VAL QG . . 8.360 4.159 2.987 5.379 . 0 0 "[ . 1 . 2]" 1
844 1 38 PHE QE 1 63 LEU MD1 . . 9.000 3.910 2.584 6.037 . 0 0 "[ . 1 . 2]" 1
845 1 38 PHE QE 1 63 LEU QD . . 8.040 3.375 2.539 4.928 . 0 0 "[ . 1 . 2]" 1
846 1 38 PHE QE 1 63 LEU MD2 . . 9.000 3.871 2.648 5.353 . 0 0 "[ . 1 . 2]" 1
847 1 38 PHE QE 1 65 ILE MD . . 8.700 3.418 2.079 4.867 . 0 0 "[ . 1 . 2]" 1
848 1 38 PHE QE 1 65 ILE QG . . 8.180 4.466 3.299 5.650 . 0 0 "[ . 1 . 2]" 1
849 1 38 PHE QE 1 65 ILE MG . . 9.000 4.974 4.067 6.188 . 0 0 "[ . 1 . 2]" 1
850 1 39 GLY H 1 40 ALA H . . 4.200 2.991 2.387 3.778 . 0 0 "[ . 1 . 2]" 1
851 1 40 ALA H 1 40 ALA MB . . 3.600 2.839 2.552 3.035 . 0 0 "[ . 1 . 2]" 1
852 1 40 ALA H 1 41 SER H . . 3.200 2.770 2.244 3.240 0.040 11 0 "[ . 1 . 2]" 1
853 1 40 ALA H 1 41 SER HA . . 5.200 4.676 4.259 5.258 0.058 19 0 "[ . 1 . 2]" 1
854 1 41 SER H 1 42 LYS QD . . 7.000 5.406 4.227 6.257 . 0 0 "[ . 1 . 2]" 1
855 1 41 SER HA 1 42 LYS H . . 3.400 3.273 2.532 3.485 0.085 8 0 "[ . 1 . 2]" 1
856 1 42 LYS H 1 42 LYS QB . . 3.910 3.302 3.210 3.392 . 0 0 "[ . 1 . 2]" 1
857 1 42 LYS H 1 42 LYS QD . . 6.100 3.831 2.910 4.507 . 0 0 "[ . 1 . 2]" 1
858 1 42 LYS H 1 42 LYS HG2 . . 4.300 2.744 2.398 4.313 0.013 6 0 "[ . 1 . 2]" 1
859 1 42 LYS H 1 42 LYS QG . . 4.110 2.500 2.328 2.806 . 0 0 "[ . 1 . 2]" 1
860 1 42 LYS H 1 42 LYS HG3 . . 4.300 3.618 2.477 4.301 0.001 2 0 "[ . 1 . 2]" 1
861 1 42 LYS H 1 43 ILE H . . 5.000 4.323 4.210 4.403 . 0 0 "[ . 1 . 2]" 1
862 1 42 LYS H 1 43 ILE MG . . 7.000 5.102 4.537 5.429 . 0 0 "[ . 1 . 2]" 1
863 1 42 LYS HA 1 43 ILE H . . 2.900 2.323 2.096 2.492 . 0 0 "[ . 1 . 2]" 1
864 1 42 LYS HB2 1 43 ILE H . . 3.800 2.503 2.169 3.212 . 0 0 "[ . 1 . 2]" 1
865 1 42 LYS HB3 1 43 ILE H . . 3.800 3.672 3.354 3.883 0.083 18 0 "[ . 1 . 2]" 1
866 1 42 LYS QD 1 43 ILE H . . 7.000 4.910 3.040 5.446 . 0 0 "[ . 1 . 2]" 1
867 1 42 LYS HG2 1 43 ILE H . . 6.000 4.549 3.849 5.369 . 0 0 "[ . 1 . 2]" 1
868 1 42 LYS HG3 1 43 ILE H . . 6.000 4.171 3.589 4.977 . 0 0 "[ . 1 . 2]" 1
869 1 43 ILE H 1 43 ILE MD . . 5.300 4.165 3.994 4.678 . 0 0 "[ . 1 . 2]" 1
870 1 43 ILE H 1 43 ILE MG . . 3.700 2.215 2.106 2.387 . 0 0 "[ . 1 . 2]" 1
871 1 43 ILE H 1 44 THR H . . 4.800 4.170 3.956 4.337 . 0 0 "[ . 1 . 2]" 1
872 1 43 ILE HA 1 44 THR H . . 2.900 2.146 2.113 2.245 . 0 0 "[ . 1 . 2]" 1
873 1 43 ILE HB 1 44 THR H . . 4.400 4.324 4.239 4.415 0.015 18 0 "[ . 1 . 2]" 1
874 1 43 ILE MD 1 44 THR H . . 6.500 3.236 2.889 4.975 . 0 0 "[ . 1 . 2]" 1
875 1 43 ILE QG 1 44 THR H . . 5.740 3.399 3.099 3.745 . 0 0 "[ . 1 . 2]" 1
876 1 43 ILE QG 1 45 VAL H . . 6.880 5.733 5.000 6.121 . 0 0 "[ . 1 . 2]" 1
877 1 43 ILE QG 1 54 VAL HB . . 5.080 4.548 4.378 4.621 . 0 0 "[ . 1 . 2]" 1
878 1 43 ILE QG 1 54 VAL QG . . 9.040 2.441 2.216 2.878 . 0 0 "[ . 1 . 2]" 1
879 1 43 ILE QG 1 65 ILE QG . . 7.050 5.481 5.219 5.641 . 0 0 "[ . 1 . 2]" 1
880 1 43 ILE QG 1 65 ILE MG . . 7.880 4.246 3.918 4.718 . 0 0 "[ . 1 . 2]" 1
881 1 43 ILE HG12 1 44 THR H . . 6.000 3.503 3.140 4.239 . 0 0 "[ . 1 . 2]" 1
882 1 43 ILE HG12 1 65 ILE MD . . 7.000 4.864 3.820 5.145 . 0 0 "[ . 1 . 2]" 1
883 1 43 ILE HG13 1 44 THR H . . 6.000 4.871 3.606 5.168 . 0 0 "[ . 1 . 2]" 1
884 1 43 ILE HG13 1 65 ILE MD . . 7.000 3.579 3.263 4.461 . 0 0 "[ . 1 . 2]" 1
885 1 43 ILE MG 1 44 THR H . . 7.000 4.339 4.263 4.414 . 0 0 "[ . 1 . 2]" 1
886 1 43 ILE MG 1 65 ILE MD . . 7.900 2.131 1.976 2.352 . 0 0 "[ . 1 . 2]" 1
887 1 43 ILE MG 1 65 ILE MG . . 8.000 2.068 1.929 2.271 . 0 0 "[ . 1 . 2]" 1
888 1 44 THR H 1 44 THR HB . . 3.500 2.482 2.353 2.566 . 0 0 "[ . 1 . 2]" 1
889 1 44 THR H 1 45 VAL H . . 5.000 4.490 4.433 4.517 . 0 0 "[ . 1 . 2]" 1
890 1 44 THR HA 1 45 VAL H . . 2.800 2.148 2.109 2.189 . 0 0 "[ . 1 . 2]" 1
891 1 44 THR HB 1 45 VAL H . . 5.700 3.984 3.879 4.131 . 0 0 "[ . 1 . 2]" 1
892 1 44 THR MG 1 45 VAL H . . 4.400 2.437 2.181 2.674 . 0 0 "[ . 1 . 2]" 1
893 1 45 VAL H 1 45 VAL HB . . 3.300 2.479 2.383 2.596 . 0 0 "[ . 1 . 2]" 1
894 1 45 VAL H 1 45 VAL MG1 . . 4.800 3.675 3.478 3.869 . 0 0 "[ . 1 . 2]" 1
895 1 45 VAL H 1 45 VAL QG . . 4.130 2.978 2.767 3.099 . 0 0 "[ . 1 . 2]" 1
896 1 45 VAL H 1 45 VAL MG2 . . 4.800 3.178 2.846 3.418 . 0 0 "[ . 1 . 2]" 1
897 1 45 VAL H 1 46 THR H . . 4.400 4.317 4.221 4.389 . 0 0 "[ . 1 . 2]" 1
898 1 45 VAL HA 1 46 THR H . . 2.800 2.264 2.207 2.308 . 0 0 "[ . 1 . 2]" 1
899 1 45 VAL HB 1 46 THR H . . 4.900 4.315 4.153 4.507 . 0 0 "[ . 1 . 2]" 1
900 1 45 VAL QG 1 46 THR H . . 4.900 2.676 2.374 2.983 . 0 0 "[ . 1 . 2]" 1
901 1 45 VAL QG 1 47 GLY H . . 8.560 3.854 2.962 4.417 . 0 0 "[ . 1 . 2]" 1
902 1 45 VAL MG1 1 46 THR H . . 6.000 2.737 2.407 3.051 . 0 0 "[ . 1 . 2]" 1
903 1 45 VAL MG2 1 46 THR H . . 6.000 3.820 3.382 4.227 . 0 0 "[ . 1 . 2]" 1
904 1 46 THR H 1 46 THR HB . . 3.300 2.756 2.644 2.835 . 0 0 "[ . 1 . 2]" 1
905 1 46 THR H 1 46 THR MG . . 4.500 3.907 3.838 3.974 . 0 0 "[ . 1 . 2]" 1
906 1 46 THR H 1 47 GLY H . . 4.700 4.006 3.239 4.210 . 0 0 "[ . 1 . 2]" 1
907 1 46 THR HB 1 47 GLY H . . 4.700 4.272 4.110 4.521 . 0 0 "[ . 1 . 2]" 1
908 1 46 THR MG 1 47 GLY H . . 3.900 2.893 2.477 3.849 . 0 0 "[ . 1 . 2]" 1
909 1 47 GLY H 1 48 GLU H . . 3.600 3.672 3.635 3.707 0.107 7 0 "[ . 1 . 2]" 1
910 1 47 GLY H 1 48 GLU QB . . 6.880 4.957 4.863 5.155 . 0 0 "[ . 1 . 2]" 1
911 1 47 GLY HA2 1 48 GLU H . . 3.600 3.459 3.315 3.520 . 0 0 "[ . 1 . 2]" 1
912 1 47 GLY HA3 1 48 GLU H . . 3.600 2.218 2.138 2.292 . 0 0 "[ . 1 . 2]" 1
913 1 48 GLU H 1 48 GLU HB2 . . 3.600 3.277 2.987 3.416 . 0 0 "[ . 1 . 2]" 1
914 1 48 GLU H 1 48 GLU HB3 . . 3.600 3.243 3.119 3.362 . 0 0 "[ . 1 . 2]" 1
915 1 48 GLU HA 1 49 ALA H . . 2.700 2.665 2.491 2.722 0.022 7 0 "[ . 1 . 2]" 1
916 1 48 GLU HB2 1 49 ALA H . . 6.000 4.716 4.642 4.793 . 0 0 "[ . 1 . 2]" 1
917 1 48 GLU HB3 1 49 ALA H . . 6.000 4.460 4.374 4.514 . 0 0 "[ . 1 . 2]" 1
918 1 48 GLU QG 1 49 ALA H . . 7.000 4.368 4.214 4.695 . 0 0 "[ . 1 . 2]" 1
919 1 49 ALA H 1 49 ALA MB . . 3.600 2.686 2.537 2.782 . 0 0 "[ . 1 . 2]" 1
920 1 49 ALA H 1 50 SER H . . 4.700 4.391 4.353 4.426 . 0 0 "[ . 1 . 2]" 1
921 1 49 ALA HA 1 50 SER H . . 2.800 2.465 2.356 2.622 . 0 0 "[ . 1 . 2]" 1
922 1 49 ALA HA 1 53 GLN QE . . 6.870 4.291 2.553 5.169 . 0 0 "[ . 1 . 2]" 1
923 1 49 ALA MB 1 50 SER H . . 3.800 2.254 2.079 2.460 . 0 0 "[ . 1 . 2]" 1
924 1 49 ALA MB 1 53 GLN H . . 5.800 4.454 4.186 4.709 . 0 0 "[ . 1 . 2]" 1
925 1 49 ALA MB 1 53 GLN QB . . 7.880 3.366 3.110 3.701 . 0 0 "[ . 1 . 2]" 1
926 1 49 ALA MB 1 53 GLN QE . . 7.870 3.015 1.968 3.884 . 0 0 "[ . 1 . 2]" 1
927 1 49 ALA MB 1 53 GLN QG . . 7.780 3.178 2.191 4.137 . 0 0 "[ . 1 . 2]" 1
928 1 49 ALA MB 1 54 VAL H . . 7.000 5.182 4.945 5.546 . 0 0 "[ . 1 . 2]" 1
929 1 50 SER H 1 50 SER HB2 . . 4.000 2.529 2.420 2.659 . 0 0 "[ . 1 . 2]" 1
930 1 50 SER H 1 50 SER QB . . 3.610 2.488 2.387 2.609 . 0 0 "[ . 1 . 2]" 1
931 1 50 SER H 1 50 SER HB3 . . 4.000 3.705 3.634 3.784 . 0 0 "[ . 1 . 2]" 1
932 1 50 SER H 1 51 ILE H . . 4.500 4.497 4.421 4.555 0.055 4 0 "[ . 1 . 2]" 1
933 1 50 SER H 1 53 GLN H . . 4.700 3.971 3.802 4.154 . 0 0 "[ . 1 . 2]" 1
934 1 50 SER H 1 53 GLN QB . . 4.980 4.148 3.515 4.460 . 0 0 "[ . 1 . 2]" 1
935 1 50 SER H 1 53 GLN HE21 . . 6.000 4.639 2.808 6.025 0.025 12 0 "[ . 1 . 2]" 1
936 1 50 SER H 1 53 GLN HE22 . . 6.000 5.354 2.324 6.020 0.020 11 0 "[ . 1 . 2]" 1
937 1 50 SER H 1 53 GLN HG2 . . 6.000 4.878 3.731 5.758 . 0 0 "[ . 1 . 2]" 1
938 1 50 SER H 1 53 GLN QG . . 5.230 3.475 2.837 4.560 . 0 0 "[ . 1 . 2]" 1
939 1 50 SER H 1 53 GLN HG3 . . 6.000 3.589 2.905 5.268 . 0 0 "[ . 1 . 2]" 1
940 1 50 SER H 1 54 VAL QG . . 7.960 4.927 4.461 5.430 . 0 0 "[ . 1 . 2]" 1
941 1 50 SER HA 1 51 ILE H . . 3.000 2.424 2.350 2.509 . 0 0 "[ . 1 . 2]" 1
942 1 50 SER HA 1 52 GLN H . . 5.000 4.461 4.329 4.720 . 0 0 "[ . 1 . 2]" 1
943 1 50 SER QB 1 51 ILE H . . 3.710 2.462 2.287 2.612 . 0 0 "[ . 1 . 2]" 1
944 1 50 SER QB 1 52 GLN H . . 3.810 2.777 2.539 3.125 . 0 0 "[ . 1 . 2]" 1
945 1 50 SER QB 1 53 GLN H . . 4.480 3.990 3.845 4.079 . 0 0 "[ . 1 . 2]" 1
946 1 50 SER HB2 1 51 ILE H . . 4.100 3.748 3.646 3.877 . 0 0 "[ . 1 . 2]" 1
947 1 50 SER HB2 1 52 GLN H . . 4.100 3.370 3.123 3.596 . 0 0 "[ . 1 . 2]" 1
948 1 50 SER HB2 1 53 GLN H . . 4.900 4.217 4.007 4.419 . 0 0 "[ . 1 . 2]" 1
949 1 50 SER HB3 1 51 ILE H . . 4.100 2.497 2.311 2.655 . 0 0 "[ . 1 . 2]" 1
950 1 50 SER HB3 1 52 GLN H . . 4.100 2.963 2.684 3.432 . 0 0 "[ . 1 . 2]" 1
951 1 50 SER HB3 1 53 GLN H . . 4.900 4.935 4.788 4.961 0.061 4 0 "[ . 1 . 2]" 1
952 1 51 ILE H 1 51 ILE HB . . 3.200 2.335 2.229 2.437 . 0 0 "[ . 1 . 2]" 1
953 1 51 ILE H 1 51 ILE HG12 . . 5.000 4.469 4.185 4.622 . 0 0 "[ . 1 . 2]" 1
954 1 51 ILE H 1 51 ILE QG . . 4.400 3.987 3.871 4.056 . 0 0 "[ . 1 . 2]" 1
955 1 51 ILE H 1 51 ILE HG13 . . 5.000 4.497 4.427 4.635 . 0 0 "[ . 1 . 2]" 1
956 1 51 ILE H 1 51 ILE MG . . 3.900 2.655 2.464 2.847 . 0 0 "[ . 1 . 2]" 1
957 1 51 ILE H 1 52 GLN H . . 3.600 3.005 2.903 3.188 . 0 0 "[ . 1 . 2]" 1
958 1 51 ILE H 1 53 GLN H . . 5.400 4.904 4.791 5.050 . 0 0 "[ . 1 . 2]" 1
959 1 51 ILE HA 1 51 ILE QG . . 3.990 2.534 2.252 2.701 . 0 0 "[ . 1 . 2]" 1
960 1 51 ILE HA 1 54 VAL H . . 4.100 3.090 2.839 3.330 . 0 0 "[ . 1 . 2]" 1
961 1 51 ILE HA 1 54 VAL HB . . 3.000 2.623 2.358 2.806 . 0 0 "[ . 1 . 2]" 1
962 1 51 ILE HA 1 54 VAL MG1 . . 7.000 4.035 3.798 4.246 . 0 0 "[ . 1 . 2]" 1
963 1 51 ILE HA 1 54 VAL QG . . 6.380 2.497 2.178 2.745 . 0 0 "[ . 1 . 2]" 1
964 1 51 ILE HA 1 54 VAL MG2 . . 7.000 2.524 2.187 2.792 . 0 0 "[ . 1 . 2]" 1
965 1 51 ILE HA 1 55 GLU H . . 3.900 3.912 3.822 3.967 0.067 17 0 "[ . 1 . 2]" 1
966 1 51 ILE HA 1 65 ILE MD . . 7.000 4.480 4.224 4.981 . 0 0 "[ . 1 . 2]" 1
967 1 51 ILE HA 1 65 ILE MG . . 7.000 4.928 4.642 5.205 . 0 0 "[ . 1 . 2]" 1
968 1 51 ILE HB 1 52 GLN H . . 4.000 3.993 3.873 4.043 0.043 4 0 "[ . 1 . 2]" 1
969 1 51 ILE HB 1 65 ILE HB . . 5.900 4.497 4.361 4.630 . 0 0 "[ . 1 . 2]" 1
970 1 51 ILE HB 1 65 ILE QG . . 6.380 5.803 5.755 5.854 . 0 0 "[ . 1 . 2]" 1
971 1 51 ILE HB 1 65 ILE MG . . 7.000 3.772 3.515 4.032 . 0 0 "[ . 1 . 2]" 1
972 1 51 ILE MD 1 52 GLN H . . 7.000 4.543 3.648 4.925 . 0 0 "[ . 1 . 2]" 1
973 1 51 ILE MD 1 54 VAL H . . 5.700 3.874 3.518 4.127 . 0 0 "[ . 1 . 2]" 1
974 1 51 ILE MD 1 55 GLU H . . 5.500 3.566 2.252 4.291 . 0 0 "[ . 1 . 2]" 1
975 1 51 ILE MD 1 65 ILE HB . . 5.700 3.165 2.075 3.754 . 0 0 "[ . 1 . 2]" 1
976 1 51 ILE MD 1 65 ILE MD . . 6.300 2.124 2.028 2.250 . 0 0 "[ . 1 . 2]" 1
977 1 51 ILE MD 1 65 ILE MG . . 5.800 2.441 1.959 3.076 . 0 0 "[ . 1 . 2]" 1
978 1 51 ILE QG 1 55 GLU H . . 6.880 3.306 2.678 4.402 . 0 0 "[ . 1 . 2]" 1
979 1 51 ILE QG 1 65 ILE HB . . 5.240 2.233 2.127 2.434 . 0 0 "[ . 1 . 2]" 1
980 1 51 ILE QG 1 65 ILE MD . . 6.800 2.227 1.954 2.891 . 0 0 "[ . 1 . 2]" 1
981 1 51 ILE QG 1 65 ILE MG . . 5.790 2.162 2.014 2.547 . 0 0 "[ . 1 . 2]" 1
982 1 51 ILE HG12 1 52 GLN H . . 6.000 5.116 4.972 5.274 . 0 0 "[ . 1 . 2]" 1
983 1 51 ILE HG12 1 65 ILE HB . . 5.600 2.633 2.169 3.775 . 0 0 "[ . 1 . 2]" 1
984 1 51 ILE HG12 1 65 ILE MD . . 7.000 2.529 2.248 3.278 . 0 0 "[ . 1 . 2]" 1
985 1 51 ILE HG12 1 65 ILE MG . . 6.000 2.359 2.037 3.329 . 0 0 "[ . 1 . 2]" 1
986 1 51 ILE HG13 1 52 GLN H . . 6.000 4.635 4.227 5.332 . 0 0 "[ . 1 . 2]" 1
987 1 51 ILE HG13 1 65 ILE HB . . 5.600 3.024 2.173 3.534 . 0 0 "[ . 1 . 2]" 1
988 1 51 ILE HG13 1 65 ILE MD . . 7.000 2.530 2.082 3.214 . 0 0 "[ . 1 . 2]" 1
989 1 51 ILE HG13 1 65 ILE MG . . 6.000 3.039 2.123 3.636 . 0 0 "[ . 1 . 2]" 1
990 1 51 ILE MG 1 52 GLN H . . 3.800 2.336 2.151 2.505 . 0 0 "[ . 1 . 2]" 1
991 1 51 ILE MG 1 52 GLN HE21 . . 7.000 3.634 2.634 4.835 . 0 0 "[ . 1 . 2]" 1
992 1 51 ILE MG 1 52 GLN HE22 . . 7.000 4.837 3.719 5.812 . 0 0 "[ . 1 . 2]" 1
993 1 51 ILE MG 1 53 GLN H . . 6.400 4.667 4.572 4.826 . 0 0 "[ . 1 . 2]" 1
994 1 51 ILE MG 1 54 VAL H . . 7.000 4.735 4.583 4.980 . 0 0 "[ . 1 . 2]" 1
995 1 51 ILE MG 1 55 GLU H . . 5.600 3.920 3.675 4.242 . 0 0 "[ . 1 . 2]" 1
996 1 51 ILE MG 1 55 GLU HA . . 5.800 4.875 4.853 4.927 . 0 0 "[ . 1 . 2]" 1
997 1 51 ILE MG 1 65 ILE MD . . 7.500 3.947 3.543 4.603 . 0 0 "[ . 1 . 2]" 1
998 1 51 ILE MG 1 65 ILE MG . . 8.000 3.492 3.173 3.888 . 0 0 "[ . 1 . 2]" 1
999 1 52 GLN H 1 52 GLN HB2 . . 3.600 2.554 2.383 2.724 . 0 0 "[ . 1 . 2]" 1
1000 1 52 GLN H 1 52 GLN QB . . 3.290 2.503 2.350 2.649 . 0 0 "[ . 1 . 2]" 1
1001 1 52 GLN H 1 52 GLN HB3 . . 3.600 3.607 3.584 3.622 0.022 4 0 "[ . 1 . 2]" 1
1002 1 52 GLN H 1 52 GLN HG2 . . 4.000 2.579 2.044 3.745 . 0 0 "[ . 1 . 2]" 1
1003 1 52 GLN H 1 52 GLN HG3 . . 4.000 3.053 2.047 3.559 . 0 0 "[ . 1 . 2]" 1
1004 1 52 GLN H 1 53 GLN H . . 3.200 3.164 3.054 3.241 0.041 14 0 "[ . 1 . 2]" 1
1005 1 52 GLN H 1 54 VAL H . . 5.100 4.425 4.305 4.525 . 0 0 "[ . 1 . 2]" 1
1006 1 52 GLN HA 1 52 GLN QG . . 4.000 2.647 2.318 2.923 . 0 0 "[ . 1 . 2]" 1
1007 1 52 GLN HA 1 55 GLU H . . 3.900 3.626 3.374 3.838 . 0 0 "[ . 1 . 2]" 1
1008 1 52 GLN HA 1 55 GLU HB2 . . 3.400 3.066 2.206 3.425 0.025 13 0 "[ . 1 . 2]" 1
1009 1 52 GLN HA 1 55 GLU QB . . 3.130 2.535 2.118 2.782 . 0 0 "[ . 1 . 2]" 1
1010 1 52 GLN HA 1 55 GLU HB3 . . 3.400 2.802 2.378 3.196 . 0 0 "[ . 1 . 2]" 1
1011 1 52 GLN HA 1 56 GLN H . . 4.800 3.981 3.755 4.309 . 0 0 "[ . 1 . 2]" 1
1012 1 52 GLN HB2 1 53 GLN H . . 4.300 2.494 2.371 2.749 . 0 0 "[ . 1 . 2]" 1
1013 1 52 GLN HB3 1 53 GLN H . . 4.300 3.391 3.263 3.518 . 0 0 "[ . 1 . 2]" 1
1014 1 52 GLN QG 1 53 GLN H . . 4.880 4.165 4.049 4.364 . 0 0 "[ . 1 . 2]" 1
1015 1 52 GLN HG2 1 53 GLN H . . 5.200 4.683 4.419 5.123 . 0 0 "[ . 1 . 2]" 1
1016 1 52 GLN HG3 1 53 GLN H . . 5.200 4.724 4.448 5.002 . 0 0 "[ . 1 . 2]" 1
1017 1 53 GLN H 1 53 GLN HG2 . . 3.800 3.033 2.229 3.820 0.020 5 0 "[ . 1 . 2]" 1
1018 1 53 GLN H 1 53 GLN QG . . 3.360 2.291 2.163 2.809 . 0 0 "[ . 1 . 2]" 1
1019 1 53 GLN H 1 53 GLN HG3 . . 3.800 2.574 2.181 3.097 . 0 0 "[ . 1 . 2]" 1
1020 1 53 GLN H 1 54 VAL H . . 3.100 2.610 2.520 2.840 . 0 0 "[ . 1 . 2]" 1
1021 1 53 GLN H 1 54 VAL QG . . 7.260 3.797 3.643 4.003 . 0 0 "[ . 1 . 2]" 1
1022 1 53 GLN H 1 55 GLU H . . 4.800 3.958 3.629 4.280 . 0 0 "[ . 1 . 2]" 1
1023 1 53 GLN HA 1 53 GLN HE21 . . 5.800 4.912 4.540 5.179 . 0 0 "[ . 1 . 2]" 1
1024 1 53 GLN HA 1 53 GLN QE . . 5.210 4.592 4.381 4.756 . 0 0 "[ . 1 . 2]" 1
1025 1 53 GLN HA 1 53 GLN HE22 . . 5.800 5.615 5.176 5.842 0.042 19 0 "[ . 1 . 2]" 1
1026 1 53 GLN HA 1 53 GLN HG2 . . 4.000 2.550 2.205 3.330 . 0 0 "[ . 1 . 2]" 1
1027 1 53 GLN HA 1 53 GLN QG . . 3.700 2.423 2.172 2.742 . 0 0 "[ . 1 . 2]" 1
1028 1 53 GLN HA 1 53 GLN HG3 . . 4.000 3.303 2.236 3.831 . 0 0 "[ . 1 . 2]" 1
1029 1 53 GLN HA 1 55 GLU H . . 5.000 4.387 3.933 4.682 . 0 0 "[ . 1 . 2]" 1
1030 1 53 GLN HA 1 56 GLN H . . 4.300 3.572 3.301 3.826 . 0 0 "[ . 1 . 2]" 1
1031 1 53 GLN HA 1 56 GLN HB2 . . 3.700 3.395 2.920 3.713 0.013 15 0 "[ . 1 . 2]" 1
1032 1 53 GLN HA 1 56 GLN QB . . 3.490 2.799 2.574 3.079 . 0 0 "[ . 1 . 2]" 1
1033 1 53 GLN HA 1 56 GLN HB3 . . 3.700 2.996 2.721 3.403 . 0 0 "[ . 1 . 2]" 1
1034 1 53 GLN HA 1 57 ALA H . . 5.000 4.256 4.059 4.645 . 0 0 "[ . 1 . 2]" 1
1035 1 53 GLN QB 1 54 VAL H . . 4.380 2.588 2.369 2.751 . 0 0 "[ . 1 . 2]" 1
1036 1 53 GLN HB2 1 54 VAL H . . 4.800 2.645 2.409 2.826 . 0 0 "[ . 1 . 2]" 1
1037 1 53 GLN HB3 1 54 VAL H . . 4.800 3.680 3.495 3.876 . 0 0 "[ . 1 . 2]" 1
1038 1 53 GLN QG 1 54 VAL H . . 5.320 4.056 3.910 4.460 . 0 0 "[ . 1 . 2]" 1
1039 1 53 GLN HG2 1 54 VAL H . . 6.000 4.779 4.361 5.235 . 0 0 "[ . 1 . 2]" 1
1040 1 53 GLN HG3 1 54 VAL H . . 6.000 4.414 4.231 4.833 . 0 0 "[ . 1 . 2]" 1
1041 1 54 VAL H 1 54 VAL HB . . 3.200 2.555 2.438 2.659 . 0 0 "[ . 1 . 2]" 1
1042 1 54 VAL H 1 54 VAL QG . . 4.050 2.088 2.012 2.143 . 0 0 "[ . 1 . 2]" 1
1043 1 54 VAL H 1 55 GLU H . . 3.200 2.472 2.387 2.577 . 0 0 "[ . 1 . 2]" 1
1044 1 54 VAL H 1 56 GLN H . . 5.900 4.147 3.937 4.390 . 0 0 "[ . 1 . 2]" 1
1045 1 54 VAL H 1 65 ILE MD . . 7.000 5.217 4.546 5.751 . 0 0 "[ . 1 . 2]" 1
1046 1 54 VAL HA 1 57 ALA H . . 3.900 3.356 3.126 3.552 . 0 0 "[ . 1 . 2]" 1
1047 1 54 VAL HA 1 57 ALA MB . . 3.700 2.450 2.123 2.745 . 0 0 "[ . 1 . 2]" 1
1048 1 54 VAL HA 1 58 GLY H . . 6.000 4.010 3.838 4.167 . 0 0 "[ . 1 . 2]" 1
1049 1 54 VAL HB 1 55 GLU H . . 3.300 2.767 2.558 3.009 . 0 0 "[ . 1 . 2]" 1
1050 1 54 VAL QG 1 55 GLU H . . 6.960 3.314 3.192 3.425 . 0 0 "[ . 1 . 2]" 1
1051 1 54 VAL QG 1 57 ALA H . . 8.560 4.360 4.226 4.512 . 0 0 "[ . 1 . 2]" 1
1052 1 54 VAL QG 1 58 GLY H . . 8.560 3.840 3.729 3.994 . 0 0 "[ . 1 . 2]" 1
1053 1 55 GLU H 1 55 GLU HB2 . . 3.400 2.240 2.078 2.328 . 0 0 "[ . 1 . 2]" 1
1054 1 55 GLU H 1 55 GLU QB . . 3.080 2.129 2.038 2.251 . 0 0 "[ . 1 . 2]" 1
1055 1 55 GLU H 1 55 GLU HB3 . . 3.400 2.708 2.461 3.031 . 0 0 "[ . 1 . 2]" 1
1056 1 55 GLU H 1 55 GLU HG2 . . 5.100 4.390 4.105 4.548 . 0 0 "[ . 1 . 2]" 1
1057 1 55 GLU H 1 55 GLU QG . . 4.290 3.850 3.762 3.883 . 0 0 "[ . 1 . 2]" 1
1058 1 55 GLU H 1 55 GLU HG3 . . 5.100 4.291 4.013 4.559 . 0 0 "[ . 1 . 2]" 1
1059 1 55 GLU H 1 56 GLN H . . 3.300 2.697 2.592 2.798 . 0 0 "[ . 1 . 2]" 1
1060 1 55 GLU H 1 57 ALA H . . 4.700 4.167 3.909 4.379 . 0 0 "[ . 1 . 2]" 1
1061 1 55 GLU H 1 65 ILE MD . . 5.700 4.030 3.410 4.916 . 0 0 "[ . 1 . 2]" 1
1062 1 55 GLU H 1 65 ILE QG . . 7.000 5.166 4.671 5.803 . 0 0 "[ . 1 . 2]" 1
1063 1 55 GLU HA 1 58 GLY H . . 4.400 3.289 2.951 3.523 . 0 0 "[ . 1 . 2]" 1
1064 1 55 GLU HA 1 59 ALA H . . 6.000 4.598 4.199 5.026 . 0 0 "[ . 1 . 2]" 1
1065 1 55 GLU HA 1 65 ILE MD . . 7.000 3.134 2.614 3.881 . 0 0 "[ . 1 . 2]" 1
1066 1 55 GLU HA 1 65 ILE MG . . 7.000 5.467 5.128 5.732 . 0 0 "[ . 1 . 2]" 1
1067 1 55 GLU QB 1 56 GLN H . . 3.490 2.347 2.174 2.625 . 0 0 "[ . 1 . 2]" 1
1068 1 55 GLU QB 1 65 ILE H . . 6.880 5.084 4.329 5.913 . 0 0 "[ . 1 . 2]" 1
1069 1 55 GLU QB 1 65 ILE MD . . 7.880 3.750 2.919 4.775 . 0 0 "[ . 1 . 2]" 1
1070 1 55 GLU QB 1 65 ILE MG . . 7.880 5.071 4.423 5.790 . 0 0 "[ . 1 . 2]" 1
1071 1 55 GLU HB2 1 56 GLN H . . 3.700 3.548 3.210 3.721 0.021 2 0 "[ . 1 . 2]" 1
1072 1 55 GLU HB3 1 56 GLN H . . 3.700 2.383 2.203 2.684 . 0 0 "[ . 1 . 2]" 1
1073 1 55 GLU QG 1 65 ILE H . . 6.880 3.612 3.199 4.052 . 0 0 "[ . 1 . 2]" 1
1074 1 55 GLU QG 1 65 ILE MD . . 7.880 3.724 2.838 4.389 . 0 0 "[ . 1 . 2]" 1
1075 1 55 GLU QG 1 65 ILE MG . . 7.880 5.034 4.629 5.391 . 0 0 "[ . 1 . 2]" 1
1076 1 56 GLN H 1 56 GLN HB2 . . 3.400 2.317 2.184 2.434 . 0 0 "[ . 1 . 2]" 1
1077 1 56 GLN H 1 56 GLN QB . . 3.180 2.186 2.102 2.241 . 0 0 "[ . 1 . 2]" 1
1078 1 56 GLN H 1 56 GLN HB3 . . 3.400 2.693 2.591 2.809 . 0 0 "[ . 1 . 2]" 1
1079 1 56 GLN H 1 56 GLN QE . . 6.870 5.390 4.439 6.043 . 0 0 "[ . 1 . 2]" 1
1080 1 56 GLN H 1 56 GLN HG2 . . 4.600 4.442 4.285 4.545 . 0 0 "[ . 1 . 2]" 1
1081 1 56 GLN H 1 56 GLN QG . . 4.420 3.962 3.928 4.013 . 0 0 "[ . 1 . 2]" 1
1082 1 56 GLN H 1 56 GLN HG3 . . 4.600 4.460 4.339 4.588 . 0 0 "[ . 1 . 2]" 1
1083 1 56 GLN H 1 57 ALA H . . 3.200 2.983 2.905 3.073 . 0 0 "[ . 1 . 2]" 1
1084 1 56 GLN H 1 58 GLY H . . 4.600 4.209 4.051 4.308 . 0 0 "[ . 1 . 2]" 1
1085 1 56 GLN HA 1 58 GLY H . . 4.700 4.498 4.384 4.649 . 0 0 "[ . 1 . 2]" 1
1086 1 56 GLN HA 1 59 ALA H . . 3.800 3.479 3.343 3.614 . 0 0 "[ . 1 . 2]" 1
1087 1 56 GLN HA 1 59 ALA MB . . 3.800 2.980 2.748 3.172 . 0 0 "[ . 1 . 2]" 1
1088 1 56 GLN QB 1 57 ALA H . . 3.760 2.486 2.370 2.621 . 0 0 "[ . 1 . 2]" 1
1089 1 56 GLN HB2 1 57 ALA H . . 4.100 3.802 3.676 3.910 . 0 0 "[ . 1 . 2]" 1
1090 1 56 GLN HB3 1 57 ALA H . . 4.100 2.520 2.400 2.663 . 0 0 "[ . 1 . 2]" 1
1091 1 56 GLN HG2 1 57 ALA H . . 6.000 4.435 3.628 4.902 . 0 0 "[ . 1 . 2]" 1
1092 1 56 GLN HG3 1 57 ALA H . . 6.000 4.600 3.888 5.068 . 0 0 "[ . 1 . 2]" 1
1093 1 57 ALA H 1 57 ALA MB . . 3.400 2.169 2.017 2.275 . 0 0 "[ . 1 . 2]" 1
1094 1 57 ALA H 1 58 GLY H . . 2.900 2.860 2.633 2.929 0.029 1 0 "[ . 1 . 2]" 1
1095 1 57 ALA HA 1 60 PHE QD . . 6.400 4.108 3.619 4.748 . 0 0 "[ . 1 . 2]" 1
1096 1 57 ALA HA 1 60 PHE QE . . 6.400 5.147 4.442 5.760 . 0 0 "[ . 1 . 2]" 1
1097 1 57 ALA MB 1 58 GLY H . . 4.000 2.515 2.350 2.676 . 0 0 "[ . 1 . 2]" 1
1098 1 57 ALA MB 1 60 PHE QD . . 9.000 3.720 3.316 4.426 . 0 0 "[ . 1 . 2]" 1
1099 1 57 ALA MB 1 60 PHE QE . . 9.000 3.480 2.668 4.415 . 0 0 "[ . 1 . 2]" 1
1100 1 58 GLY H 1 59 ALA H . . 3.400 2.823 2.727 2.898 . 0 0 "[ . 1 . 2]" 1
1101 1 58 GLY H 1 59 ALA MB . . 5.500 4.491 4.371 4.564 . 0 0 "[ . 1 . 2]" 1
1102 1 58 GLY H 1 63 LEU H . . 5.400 5.483 5.445 5.522 0.122 19 0 "[ . 1 . 2]" 1
1103 1 58 GLY H 1 63 LEU QD . . 8.570 4.600 4.037 5.253 . 0 0 "[ . 1 . 2]" 1
1104 1 58 GLY H 1 65 ILE MD . . 7.000 4.703 4.041 4.965 . 0 0 "[ . 1 . 2]" 1
1105 1 58 GLY H 1 65 ILE QG . . 6.880 5.880 5.457 6.173 . 0 0 "[ . 1 . 2]" 1
1106 1 58 GLY QA 1 60 PHE QD . . 8.280 3.381 2.299 3.823 . 0 0 "[ . 1 . 2]" 1
1107 1 58 GLY QA 1 60 PHE QE . . 7.880 3.211 2.260 3.463 . 0 0 "[ . 1 . 2]" 1
1108 1 58 GLY QA 1 63 LEU H . . 5.980 3.292 3.203 3.454 . 0 0 "[ . 1 . 2]" 1
1109 1 58 GLY QA 1 63 LEU QB . . 5.670 3.067 2.405 3.479 . 0 0 "[ . 1 . 2]" 1
1110 1 58 GLY QA 1 63 LEU QD . . 6.310 2.492 2.042 3.036 . 0 0 "[ . 1 . 2]" 1
1111 1 58 GLY QA 1 63 LEU HG . . 6.280 4.218 3.771 4.691 . 0 0 "[ . 1 . 2]" 1
1112 1 58 GLY HA2 1 63 LEU HB2 . . 6.950 4.293 3.622 4.775 . 0 0 "[ . 1 . 2]" 1
1113 1 58 GLY HA2 1 63 LEU HB3 . . 6.950 5.848 5.186 6.254 . 0 0 "[ . 1 . 2]" 1
1114 1 58 GLY HA2 1 63 LEU MD1 . . 8.440 5.166 2.976 5.858 . 0 0 "[ . 1 . 2]" 1
1115 1 58 GLY HA2 1 63 LEU MD2 . . 8.440 2.840 2.227 3.385 . 0 0 "[ . 1 . 2]" 1
1116 1 58 GLY HA3 1 63 LEU HB2 . . 6.950 3.199 2.465 3.677 . 0 0 "[ . 1 . 2]" 1
1117 1 58 GLY HA3 1 63 LEU HB3 . . 6.950 4.876 4.053 5.360 . 0 0 "[ . 1 . 2]" 1
1118 1 58 GLY HA3 1 63 LEU MD1 . . 8.440 5.051 3.204 5.576 . 0 0 "[ . 1 . 2]" 1
1119 1 58 GLY HA3 1 63 LEU MD2 . . 8.440 2.836 2.283 3.495 . 0 0 "[ . 1 . 2]" 1
1120 1 59 ALA H 1 59 ALA MB . . 3.400 2.236 2.222 2.254 . 0 0 "[ . 1 . 2]" 1
1121 1 59 ALA H 1 60 PHE H . . 3.900 2.970 2.861 3.067 . 0 0 "[ . 1 . 2]" 1
1122 1 59 ALA H 1 61 GLU H . . 5.200 4.573 4.498 4.655 . 0 0 "[ . 1 . 2]" 1
1123 1 59 ALA HA 1 61 GLU H . . 4.700 3.908 3.753 4.023 . 0 0 "[ . 1 . 2]" 1
1124 1 59 ALA HA 1 62 HIS H . . 4.400 2.831 2.665 2.999 . 0 0 "[ . 1 . 2]" 1
1125 1 59 ALA MB 1 60 PHE H . . 4.400 2.927 2.729 3.048 . 0 0 "[ . 1 . 2]" 1
1126 1 59 ALA MB 1 60 PHE QD . . 9.000 4.906 4.514 5.124 . 0 0 "[ . 1 . 2]" 1
1127 1 59 ALA MB 1 60 PHE QE . . 9.000 6.302 5.964 6.601 . 0 0 "[ . 1 . 2]" 1
1128 1 59 ALA MB 1 61 GLU H . . 5.600 4.590 4.531 4.673 . 0 0 "[ . 1 . 2]" 1
1129 1 59 ALA MB 1 62 HIS H . . 5.200 4.247 4.117 4.354 . 0 0 "[ . 1 . 2]" 1
1130 1 59 ALA MB 1 63 LEU H . . 7.000 5.286 5.041 5.534 . 0 0 "[ . 1 . 2]" 1
1131 1 60 PHE H 1 60 PHE QE . . 6.100 4.607 4.326 4.777 . 0 0 "[ . 1 . 2]" 1
1132 1 60 PHE H 1 61 GLU H . . 4.300 2.878 2.774 2.967 . 0 0 "[ . 1 . 2]" 1
1133 1 60 PHE H 1 63 LEU QD . . 8.570 4.625 4.330 5.027 . 0 0 "[ . 1 . 2]" 1
1134 1 60 PHE QD 1 61 GLU H . . 8.000 3.028 2.153 3.499 . 0 0 "[ . 1 . 2]" 1
1135 1 60 PHE QD 1 61 GLU HA . . 8.000 3.821 3.553 4.674 . 0 0 "[ . 1 . 2]" 1
1136 1 60 PHE QD 1 61 GLU HB2 . . 8.000 2.677 2.215 3.437 . 0 0 "[ . 1 . 2]" 1
1137 1 60 PHE QD 1 61 GLU QB . . 7.560 2.632 2.181 3.345 . 0 0 "[ . 1 . 2]" 1
1138 1 60 PHE QD 1 61 GLU HB3 . . 8.000 3.931 3.273 4.588 . 0 0 "[ . 1 . 2]" 1
1139 1 60 PHE QD 1 61 GLU HG2 . . 7.700 3.743 2.208 5.360 . 0 0 "[ . 1 . 2]" 1
1140 1 60 PHE QD 1 61 GLU QG . . 7.350 3.198 2.057 4.685 . 0 0 "[ . 1 . 2]" 1
1141 1 60 PHE QD 1 61 GLU HG3 . . 7.700 3.641 2.164 5.560 . 0 0 "[ . 1 . 2]" 1
1142 1 60 PHE QD 1 63 LEU QD . . 10.570 3.977 3.179 4.556 . 0 0 "[ . 1 . 2]" 1
1143 1 60 PHE QE 1 61 GLU H . . 7.500 4.201 3.688 4.488 . 0 0 "[ . 1 . 2]" 1
1144 1 60 PHE QE 1 61 GLU HB2 . . 8.000 2.914 2.566 3.424 . 0 0 "[ . 1 . 2]" 1
1145 1 60 PHE QE 1 61 GLU QB . . 7.470 2.820 2.497 3.343 . 0 0 "[ . 1 . 2]" 1
1146 1 60 PHE QE 1 61 GLU HB3 . . 8.000 3.933 2.946 4.673 . 0 0 "[ . 1 . 2]" 1
1147 1 60 PHE QE 1 61 GLU HG2 . . 8.000 4.169 3.114 5.205 . 0 0 "[ . 1 . 2]" 1
1148 1 60 PHE QE 1 61 GLU QG . . 7.850 3.325 2.164 4.597 . 0 0 "[ . 1 . 2]" 1
1149 1 60 PHE QE 1 61 GLU HG3 . . 8.000 3.760 2.207 5.546 . 0 0 "[ . 1 . 2]" 1
1150 1 60 PHE QE 1 63 LEU MD1 . . 9.000 4.929 3.158 5.966 . 0 0 "[ . 1 . 2]" 1
1151 1 60 PHE QE 1 63 LEU MD2 . . 9.000 3.513 2.341 4.102 . 0 0 "[ . 1 . 2]" 1
1152 1 60 PHE QE 1 63 LEU HG . . 8.000 5.422 4.446 5.865 . 0 0 "[ . 1 . 2]" 1
1153 1 60 PHE HZ 1 63 LEU QD . . 8.570 4.003 3.255 4.611 . 0 0 "[ . 1 . 2]" 1
1154 1 61 GLU H 1 61 GLU HB2 . . 3.900 2.699 2.406 3.172 . 0 0 "[ . 1 . 2]" 1
1155 1 61 GLU H 1 61 GLU QB . . 3.650 2.461 2.343 2.611 . 0 0 "[ . 1 . 2]" 1
1156 1 61 GLU H 1 61 GLU HB3 . . 3.900 3.230 2.467 3.736 . 0 0 "[ . 1 . 2]" 1
1157 1 61 GLU H 1 61 GLU HG2 . . 5.300 4.296 3.687 4.952 . 0 0 "[ . 1 . 2]" 1
1158 1 61 GLU H 1 61 GLU QG . . 5.080 3.832 3.440 4.298 . 0 0 "[ . 1 . 2]" 1
1159 1 61 GLU H 1 61 GLU HG3 . . 5.300 4.379 3.718 4.782 . 0 0 "[ . 1 . 2]" 1
1160 1 61 GLU H 1 62 HIS H . . 3.200 1.983 1.958 2.015 . 0 0 "[ . 1 . 2]" 1
1161 1 61 GLU H 1 62 HIS HA . . 4.500 4.194 4.149 4.239 . 0 0 "[ . 1 . 2]" 1
1162 1 61 GLU H 1 63 LEU H . . 4.300 3.927 3.459 4.226 . 0 0 "[ . 1 . 2]" 1
1163 1 61 GLU H 1 63 LEU MD1 . . 7.000 4.830 2.753 5.870 . 0 0 "[ . 1 . 2]" 1
1164 1 61 GLU H 1 63 LEU MD2 . . 7.000 3.117 2.691 4.645 . 0 0 "[ . 1 . 2]" 1
1165 1 61 GLU H 1 63 LEU HG . . 6.000 5.813 5.632 6.002 0.002 20 0 "[ . 1 . 2]" 1
1166 1 61 GLU HA 1 62 HIS HD2 . . 4.800 5.362 4.572 6.280 1.480 12 8 "[ *.* 1*+ *** -]" 1
1167 1 61 GLU QB 1 63 LEU H . . 6.180 4.068 3.703 4.693 . 0 0 "[ . 1 . 2]" 1
1168 1 61 GLU QB 1 63 LEU QD . . 6.880 1.941 1.845 2.215 . 0 0 "[ . 1 . 2]" 1
1169 1 61 GLU HB2 1 62 HIS H . . 6.000 3.915 3.413 4.478 . 0 0 "[ . 1 . 2]" 1
1170 1 61 GLU HB2 1 63 LEU MD1 . . 8.050 3.924 2.037 5.545 . 0 0 "[ . 1 . 2]" 1
1171 1 61 GLU HB2 1 63 LEU MD2 . . 8.050 2.814 2.056 3.963 . 0 0 "[ . 1 . 2]" 1
1172 1 61 GLU HB3 1 62 HIS H . . 6.000 3.787 3.018 4.271 . 0 0 "[ . 1 . 2]" 1
1173 1 61 GLU HB3 1 63 LEU MD1 . . 8.050 3.152 2.176 4.227 . 0 0 "[ . 1 . 2]" 1
1174 1 61 GLU HB3 1 63 LEU MD2 . . 8.050 2.453 1.954 4.696 . 0 0 "[ . 1 . 2]" 1
1175 1 62 HIS H 1 62 HIS HD2 . . 5.500 5.447 5.016 5.673 0.173 12 0 "[ . 1 . 2]" 1
1176 1 62 HIS H 1 63 LEU H . . 3.800 2.759 2.503 3.050 . 0 0 "[ . 1 . 2]" 1
1177 1 62 HIS H 1 63 LEU QB . . 6.080 4.766 4.391 5.097 . 0 0 "[ . 1 . 2]" 1
1178 1 62 HIS H 1 63 LEU QD . . 8.570 2.922 2.595 3.303 . 0 0 "[ . 1 . 2]" 1
1179 1 62 HIS H 1 63 LEU HG . . 6.000 5.837 5.636 6.030 0.030 9 0 "[ . 1 . 2]" 1
1180 1 62 HIS HA 1 62 HIS HE1 . . 5.700 5.094 4.824 5.237 . 0 0 "[ . 1 . 2]" 1
1181 1 62 HIS HA 1 63 LEU H . . 3.600 2.624 2.520 2.710 . 0 0 "[ . 1 . 2]" 1
1182 1 62 HIS QB 1 63 LEU H . . 6.400 3.991 3.969 4.010 . 0 0 "[ . 1 . 2]" 1
1183 1 63 LEU H 1 63 LEU QB . . 3.540 2.388 2.205 2.586 . 0 0 "[ . 1 . 2]" 1
1184 1 63 LEU H 1 63 LEU MD1 . . 4.700 3.374 2.188 3.932 . 0 0 "[ . 1 . 2]" 1
1185 1 63 LEU H 1 63 LEU QD . . 4.330 2.135 1.942 2.336 . 0 0 "[ . 1 . 2]" 1
1186 1 63 LEU H 1 63 LEU MD2 . . 4.700 2.303 1.982 3.786 . 0 0 "[ . 1 . 2]" 1
1187 1 63 LEU H 1 63 LEU HG . . 4.000 3.988 3.914 4.021 0.021 4 0 "[ . 1 . 2]" 1
1188 1 63 LEU H 1 64 LYS H . . 5.000 4.669 4.537 4.760 . 0 0 "[ . 1 . 2]" 1
1189 1 63 LEU H 1 65 ILE MD . . 7.000 5.256 4.887 5.723 . 0 0 "[ . 1 . 2]" 1
1190 1 63 LEU HA 1 63 LEU HG . . 3.800 3.528 2.387 3.688 . 0 0 "[ . 1 . 2]" 1
1191 1 63 LEU HA 1 64 LYS H . . 2.900 2.495 2.335 2.811 . 0 0 "[ . 1 . 2]" 1
1192 1 63 LEU QB 1 64 LYS H . . 4.980 2.311 1.963 2.715 . 0 0 "[ . 1 . 2]" 1
1193 1 63 LEU QB 1 65 ILE QG . . 6.150 2.620 2.352 2.859 . 0 0 "[ . 1 . 2]" 1
1194 1 63 LEU QD 1 64 LYS H . . 6.100 3.188 2.486 3.879 . 0 0 "[ . 1 . 2]" 1
1195 1 63 LEU QD 1 65 ILE MD . . 9.570 3.814 2.496 4.159 . 0 0 "[ . 1 . 2]" 1
1196 1 63 LEU MD1 1 64 LYS H . . 7.000 3.285 2.500 4.341 . 0 0 "[ . 1 . 2]" 1
1197 1 63 LEU MD2 1 64 LYS H . . 7.000 4.577 4.366 4.803 . 0 0 "[ . 1 . 2]" 1
1198 1 63 LEU HG 1 64 LYS H . . 6.000 4.355 3.533 4.643 . 0 0 "[ . 1 . 2]" 1
1199 1 63 LEU HG 1 65 ILE QG . . 4.980 4.299 3.833 4.484 . 0 0 "[ . 1 . 2]" 1
1200 1 64 LYS H 1 64 LYS HD2 . . 4.000 2.896 2.131 3.835 . 0 0 "[ . 1 . 2]" 1
1201 1 64 LYS H 1 64 LYS QD . . 3.800 2.744 2.111 3.427 . 0 0 "[ . 1 . 2]" 1
1202 1 64 LYS H 1 64 LYS HD3 . . 4.000 3.596 2.686 4.098 0.098 1 0 "[ . 1 . 2]" 1
1203 1 64 LYS H 1 64 LYS HG2 . . 4.500 3.305 2.277 4.012 . 0 0 "[ . 1 . 2]" 1
1204 1 64 LYS H 1 64 LYS QG . . 4.210 2.421 2.082 2.851 . 0 0 "[ . 1 . 2]" 1
1205 1 64 LYS H 1 64 LYS HG3 . . 4.500 3.042 2.094 4.243 . 0 0 "[ . 1 . 2]" 1
1206 1 64 LYS H 1 65 ILE H . . 4.700 3.652 2.700 4.214 . 0 0 "[ . 1 . 2]" 1
1207 1 64 LYS HA 1 64 LYS HD2 . . 5.100 4.379 3.626 5.143 0.043 6 0 "[ . 1 . 2]" 1
1208 1 64 LYS HA 1 64 LYS QD . . 4.680 3.834 3.528 4.039 . 0 0 "[ . 1 . 2]" 1
1209 1 64 LYS HA 1 64 LYS HD3 . . 5.100 4.545 4.009 5.125 0.025 13 0 "[ . 1 . 2]" 1
1210 1 64 LYS HA 1 65 ILE H . . 2.700 2.227 2.106 2.386 . 0 0 "[ . 1 . 2]" 1
1211 1 64 LYS QB 1 65 ILE H . . 6.000 3.640 3.238 3.925 . 0 0 "[ . 1 . 2]" 1
1212 1 64 LYS QD 1 65 ILE H . . 5.640 4.649 4.302 4.985 . 0 0 "[ . 1 . 2]" 1
1213 1 64 LYS HD2 1 65 ILE H . . 6.000 5.366 4.895 6.070 0.070 6 0 "[ . 1 . 2]" 1
1214 1 64 LYS HD3 1 65 ILE H . . 6.000 5.366 4.585 6.173 0.173 3 0 "[ . 1 . 2]" 1
1215 1 64 LYS QG 1 65 ILE H . . 5.740 4.678 4.387 4.943 . 0 0 "[ . 1 . 2]" 1
1216 1 64 LYS HG2 1 65 ILE H . . 6.000 5.284 4.553 5.938 . 0 0 "[ . 1 . 2]" 1
1217 1 64 LYS HG3 1 65 ILE H . . 6.000 5.466 4.898 5.818 . 0 0 "[ . 1 . 2]" 1
1218 1 65 ILE H 1 65 ILE HB . . 3.400 2.836 2.686 2.936 . 0 0 "[ . 1 . 2]" 1
1219 1 65 ILE H 1 65 ILE HG12 . . 5.500 2.961 2.523 3.545 . 0 0 "[ . 1 . 2]" 1
1220 1 65 ILE H 1 65 ILE QG . . 4.770 2.258 1.928 2.744 . 0 0 "[ . 1 . 2]" 1
1221 1 65 ILE H 1 65 ILE HG13 . . 5.500 2.348 1.977 2.857 . 0 0 "[ . 1 . 2]" 1
1222 1 65 ILE HA 1 65 ILE MD . . 4.800 3.842 3.668 3.941 . 0 0 "[ . 1 . 2]" 1
1223 1 65 ILE HA 1 66 ILE H . . 3.200 2.240 2.152 2.316 . 0 0 "[ . 1 . 2]" 1
1224 1 65 ILE HB 1 66 ILE H . . 6.000 3.913 3.726 4.328 . 0 0 "[ . 1 . 2]" 1
1225 1 65 ILE MD 1 66 ILE H . . 6.400 5.108 4.918 5.439 . 0 0 "[ . 1 . 2]" 1
1226 1 65 ILE MG 1 66 ILE H . . 6.700 2.474 2.263 2.991 . 0 0 "[ . 1 . 2]" 1
1227 1 66 ILE H 1 66 ILE HB . . 3.800 2.580 2.379 2.775 . 0 0 "[ . 1 . 2]" 1
1228 1 66 ILE H 1 66 ILE MD . . 5.100 3.403 2.257 4.093 . 0 0 "[ . 1 . 2]" 1
1229 1 66 ILE H 1 66 ILE HG12 . . 4.900 3.860 2.430 4.542 . 0 0 "[ . 1 . 2]" 1
1230 1 66 ILE H 1 66 ILE QG . . 4.620 2.915 2.405 3.484 . 0 0 "[ . 1 . 2]" 1
1231 1 66 ILE H 1 66 ILE HG13 . . 4.900 3.254 2.478 4.242 . 0 0 "[ . 1 . 2]" 1
1232 1 66 ILE H 1 67 PRO QD . . 6.880 4.291 4.134 4.375 . 0 0 "[ . 1 . 2]" 1
1233 1 66 ILE H 1 68 GLU H . . 5.300 5.081 4.286 5.358 0.058 1 0 "[ . 1 . 2]" 1
1234 1 67 PRO HA 1 68 GLU H . . 3.000 2.291 2.187 2.553 . 0 0 "[ . 1 . 2]" 1
1235 1 67 PRO QG 1 68 GLU H . . 5.560 4.735 4.469 4.806 . 0 0 "[ . 1 . 2]" 1
1236 1 68 GLU H 1 68 GLU HB2 . . 3.600 2.616 2.030 3.765 0.165 16 0 "[ . 1 . 2]" 1
1237 1 68 GLU H 1 68 GLU QB . . 3.390 2.315 1.973 2.804 . 0 0 "[ . 1 . 2]" 1
1238 1 68 GLU H 1 68 GLU HB3 . . 3.600 3.010 2.218 3.613 0.013 3 0 "[ . 1 . 2]" 1
1239 1 68 GLU H 1 68 GLU HG2 . . 4.400 3.449 2.019 4.457 0.057 4 0 "[ . 1 . 2]" 1
1240 1 68 GLU H 1 68 GLU QG . . 4.110 2.932 1.985 3.815 . 0 0 "[ . 1 . 2]" 1
1241 1 68 GLU H 1 68 GLU HG3 . . 4.400 3.430 2.011 4.368 . 0 0 "[ . 1 . 2]" 1
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