NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
396036 |
1s6o   |
6130 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1s6o
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 1221
_Distance_constraint_stats_list.Viol_count 2077
_Distance_constraint_stats_list.Viol_total 2366.246
_Distance_constraint_stats_list.Viol_max 0.491
_Distance_constraint_stats_list.Viol_rms 0.0127
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0022
_Distance_constraint_stats_list.Viol_average_violations_only 0.0380
_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 2 GLU 0.000 0.000 30 0 "[ . 1 . 2 . 3]"
1 3 VAL 1.088 0.094 4 0 "[ . 1 . 2 . 3]"
1 4 VAL 0.727 0.069 19 0 "[ . 1 . 2 . 3]"
1 5 LEU 0.852 0.115 14 0 "[ . 1 . 2 . 3]"
1 6 LYS 0.623 0.091 9 0 "[ . 1 . 2 . 3]"
1 7 MET 0.289 0.030 10 0 "[ . 1 . 2 . 3]"
1 8 LYS 0.024 0.013 20 0 "[ . 1 . 2 . 3]"
1 9 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 10 GLU 1.495 0.069 23 0 "[ . 1 . 2 . 3]"
1 11 GLY 0.009 0.009 16 0 "[ . 1 . 2 . 3]"
1 12 MET 0.006 0.004 19 0 "[ . 1 . 2 . 3]"
1 13 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 14 CYS 0.457 0.032 19 0 "[ . 1 . 2 . 3]"
1 15 HIS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 16 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 17 CYS 0.291 0.058 21 0 "[ . 1 . 2 . 3]"
1 18 THR 0.347 0.058 21 0 "[ . 1 . 2 . 3]"
1 19 SER 1.215 0.080 22 0 "[ . 1 . 2 . 3]"
1 20 THR 1.289 0.061 16 0 "[ . 1 . 2 . 3]"
1 21 ILE 1.215 0.050 20 0 "[ . 1 . 2 . 3]"
1 22 GLU 2.572 0.080 22 0 "[ . 1 . 2 . 3]"
1 23 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 24 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 25 ILE 0.637 0.070 10 0 "[ . 1 . 2 . 3]"
1 26 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 27 LYS 3.657 0.081 30 0 "[ . 1 . 2 . 3]"
1 28 LEU 3.788 0.071 20 0 "[ . 1 . 2 . 3]"
1 29 GLN 1.170 0.062 24 0 "[ . 1 . 2 . 3]"
1 30 GLY 0.884 0.035 14 0 "[ . 1 . 2 . 3]"
1 31 VAL 2.052 0.083 21 0 "[ . 1 . 2 . 3]"
1 32 GLN 2.438 0.108 14 0 "[ . 1 . 2 . 3]"
1 33 ARG 2.611 0.100 13 0 "[ . 1 . 2 . 3]"
1 34 ILE 0.311 0.028 24 0 "[ . 1 . 2 . 3]"
1 35 LYS 0.403 0.060 22 0 "[ . 1 . 2 . 3]"
1 36 VAL 0.008 0.008 18 0 "[ . 1 . 2 . 3]"
1 37 SER 2.409 0.153 24 0 "[ . 1 . 2 . 3]"
1 38 LEU 0.823 0.083 8 0 "[ . 1 . 2 . 3]"
1 39 ASP 0.171 0.049 21 0 "[ . 1 . 2 . 3]"
1 40 ASN 1.310 0.059 23 0 "[ . 1 . 2 . 3]"
1 41 GLN 1.521 0.062 16 0 "[ . 1 . 2 . 3]"
1 42 GLU 0.884 0.059 23 0 "[ . 1 . 2 . 3]"
1 43 ALA 0.031 0.031 22 0 "[ . 1 . 2 . 3]"
1 44 THR 1.293 0.078 11 0 "[ . 1 . 2 . 3]"
1 45 ILE 2.289 0.083 13 0 "[ . 1 . 2 . 3]"
1 46 VAL 2.826 0.115 14 0 "[ . 1 . 2 . 3]"
1 47 TYR 0.490 0.061 10 0 "[ . 1 . 2 . 3]"
1 48 GLN 9.809 0.184 30 0 "[ . 1 . 2 . 3]"
1 49 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 50 HIS 8.270 0.491 13 0 "[ . 1 . 2 . 3]"
1 51 LEU 6.562 0.491 13 0 "[ . 1 . 2 . 3]"
1 52 ILE 6.187 0.138 30 0 "[ . 1 . 2 . 3]"
1 53 SER 6.437 0.112 30 0 "[ . 1 . 2 . 3]"
1 54 VAL 2.021 0.091 3 0 "[ . 1 . 2 . 3]"
1 55 GLU 3.739 0.091 3 0 "[ . 1 . 2 . 3]"
1 56 GLU 3.077 0.112 30 0 "[ . 1 . 2 . 3]"
1 57 MET 2.012 0.104 28 0 "[ . 1 . 2 . 3]"
1 58 LYS 1.460 0.118 14 0 "[ . 1 . 2 . 3]"
1 59 LYS 0.402 0.035 6 0 "[ . 1 . 2 . 3]"
1 60 GLN 5.650 0.096 30 0 "[ . 1 . 2 . 3]"
1 61 ILE 5.858 0.118 14 0 "[ . 1 . 2 . 3]"
1 62 GLU 2.938 0.143 22 0 "[ . 1 . 2 . 3]"
1 63 ALA 0.203 0.025 22 0 "[ . 1 . 2 . 3]"
1 64 MET 0.723 0.035 14 0 "[ . 1 . 2 . 3]"
1 65 GLY 0.531 0.038 26 0 "[ . 1 . 2 . 3]"
1 66 PHE 0.322 0.026 5 0 "[ . 1 . 2 . 3]"
1 67 PRO 0.075 0.026 23 0 "[ . 1 . 2 . 3]"
1 68 ALA 4.288 0.143 22 0 "[ . 1 . 2 . 3]"
1 69 PHE 4.734 0.115 27 0 "[ . 1 . 2 . 3]"
1 70 VAL 0.100 0.099 25 0 "[ . 1 . 2 . 3]"
1 71 LYS 2.047 0.104 27 0 "[ . 1 . 2 . 3]"
1 72 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 73 ILE 0.623 0.108 28 0 "[ . 1 . 2 . 3]"
1 74 GLU 2.336 0.184 30 0 "[ . 1 . 2 . 3]"
1 75 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 76 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
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 2 GLU HA 1 3 VAL H . . 2.900 2.409 2.151 2.900 0.000 30 0 "[ . 1 . 2 . 3]" 1
2 1 2 GLU QB 1 3 VAL QG . . 7.540 4.215 3.081 4.895 . 0 0 "[ . 1 . 2 . 3]" 1
3 1 3 VAL H 1 3 VAL HB . . 3.500 2.751 2.118 3.594 0.094 4 0 "[ . 1 . 2 . 3]" 1
4 1 3 VAL H 1 4 VAL H . . 4.400 4.416 4.301 4.469 0.069 19 0 "[ . 1 . 2 . 3]" 1
5 1 3 VAL H 1 4 VAL QG . . 8.060 5.071 4.741 5.528 . 0 0 "[ . 1 . 2 . 3]" 1
6 1 3 VAL H 1 47 TYR H . . 3.900 2.837 2.558 3.202 . 0 0 "[ . 1 . 2 . 3]" 1
7 1 3 VAL H 1 48 GLN HA . . 4.800 3.564 3.099 4.037 . 0 0 "[ . 1 . 2 . 3]" 1
8 1 3 VAL HA 1 3 VAL MG1 . . 3.600 2.451 2.120 3.119 . 0 0 "[ . 1 . 2 . 3]" 1
9 1 3 VAL HA 1 3 VAL MG2 . . 3.600 2.518 2.104 3.133 . 0 0 "[ . 1 . 2 . 3]" 1
10 1 3 VAL HA 1 4 VAL H . . 3.100 2.225 2.135 2.340 . 0 0 "[ . 1 . 2 . 3]" 1
11 1 3 VAL HA 1 4 VAL HB . . 4.600 4.325 4.022 4.520 . 0 0 "[ . 1 . 2 . 3]" 1
12 1 3 VAL HA 1 4 VAL QG . . 7.260 3.720 3.237 4.348 . 0 0 "[ . 1 . 2 . 3]" 1
13 1 3 VAL HB 1 4 VAL H . . 4.800 3.868 2.663 4.507 . 0 0 "[ . 1 . 2 . 3]" 1
14 1 3 VAL HB 1 47 TYR QD . . 8.000 5.336 3.452 6.802 . 0 0 "[ . 1 . 2 . 3]" 1
15 1 3 VAL HB 1 47 TYR QE . . 8.000 5.676 4.223 7.180 . 0 0 "[ . 1 . 2 . 3]" 1
16 1 3 VAL HB 1 74 GLU HA . . 6.000 4.510 2.443 6.050 0.050 19 0 "[ . 1 . 2 . 3]" 1
17 1 3 VAL QG 1 4 VAL H . . 8.060 2.566 2.024 3.279 . 0 0 "[ . 1 . 2 . 3]" 1
18 1 3 VAL QG 1 47 TYR H . . 8.560 3.893 3.162 4.564 . 0 0 "[ . 1 . 2 . 3]" 1
19 1 3 VAL QG 1 47 TYR QD . . 10.560 4.536 3.161 5.348 . 0 0 "[ . 1 . 2 . 3]" 1
20 1 3 VAL QG 1 47 TYR QE . . 7.720 4.648 2.781 5.155 . 0 0 "[ . 1 . 2 . 3]" 1
21 1 3 VAL QG 1 48 GLN HA . . 8.360 3.113 2.370 4.293 . 0 0 "[ . 1 . 2 . 3]" 1
22 1 3 VAL QG 1 49 PRO QB . . 8.440 4.970 4.050 5.588 . 0 0 "[ . 1 . 2 . 3]" 1
23 1 3 VAL QG 1 49 PRO QD . . 7.060 2.937 2.301 3.824 . 0 0 "[ . 1 . 2 . 3]" 1
24 1 3 VAL QG 1 74 GLU H . . 7.560 3.254 2.034 5.049 . 0 0 "[ . 1 . 2 . 3]" 1
25 1 3 VAL QG 1 74 GLU HA . . 6.280 2.871 1.924 3.755 . 0 0 "[ . 1 . 2 . 3]" 1
26 1 3 VAL QG 1 76 ARG H . . 8.560 3.953 1.960 6.131 . 0 0 "[ . 1 . 2 . 3]" 1
27 1 3 VAL MG1 1 47 TYR QE . . 8.900 5.341 2.799 6.620 . 0 0 "[ . 1 . 2 . 3]" 1
28 1 3 VAL MG1 1 49 PRO HD2 . . 9.020 4.862 3.292 6.236 . 0 0 "[ . 1 . 2 . 3]" 1
29 1 3 VAL MG1 1 49 PRO HD3 . . 9.020 4.364 2.625 5.623 . 0 0 "[ . 1 . 2 . 3]" 1
30 1 3 VAL MG1 1 74 GLU HA . . 7.000 3.183 1.986 5.036 . 0 0 "[ . 1 . 2 . 3]" 1
31 1 3 VAL MG2 1 47 TYR QE . . 8.900 5.621 3.955 6.627 . 0 0 "[ . 1 . 2 . 3]" 1
32 1 3 VAL MG2 1 49 PRO HD2 . . 9.020 3.674 2.638 6.091 . 0 0 "[ . 1 . 2 . 3]" 1
33 1 3 VAL MG2 1 49 PRO HD3 . . 9.020 3.690 2.782 5.800 . 0 0 "[ . 1 . 2 . 3]" 1
34 1 3 VAL MG2 1 74 GLU HA . . 7.000 3.798 2.417 4.907 . 0 0 "[ . 1 . 2 . 3]" 1
35 1 4 VAL H 1 4 VAL HB . . 3.000 2.245 2.173 2.389 . 0 0 "[ . 1 . 2 . 3]" 1
36 1 4 VAL H 1 4 VAL MG1 . . 4.300 3.365 1.943 3.656 . 0 0 "[ . 1 . 2 . 3]" 1
37 1 4 VAL H 1 4 VAL MG2 . . 4.300 2.737 2.200 3.655 . 0 0 "[ . 1 . 2 . 3]" 1
38 1 4 VAL H 1 5 LEU QB . . 6.880 5.337 4.890 5.652 . 0 0 "[ . 1 . 2 . 3]" 1
39 1 4 VAL HA 1 4 VAL MG1 . . 3.600 2.625 2.351 3.144 . 0 0 "[ . 1 . 2 . 3]" 1
40 1 4 VAL HA 1 4 VAL MG2 . . 3.600 2.280 2.098 2.515 . 0 0 "[ . 1 . 2 . 3]" 1
41 1 4 VAL HA 1 5 LEU H . . 2.600 2.193 2.114 2.300 . 0 0 "[ . 1 . 2 . 3]" 1
42 1 4 VAL HA 1 46 VAL HA . . 3.400 2.466 2.271 2.764 . 0 0 "[ . 1 . 2 . 3]" 1
43 1 4 VAL HA 1 47 TYR H . . 4.300 3.939 3.699 4.310 0.010 14 0 "[ . 1 . 2 . 3]" 1
44 1 4 VAL HA 1 47 TYR QD . . 8.000 5.567 4.989 6.350 . 0 0 "[ . 1 . 2 . 3]" 1
45 1 4 VAL HA 1 47 TYR QE . . 8.000 6.215 5.662 7.116 . 0 0 "[ . 1 . 2 . 3]" 1
46 1 4 VAL QG 1 5 LEU H . . 5.550 2.600 2.239 3.042 . 0 0 "[ . 1 . 2 . 3]" 1
47 1 4 VAL QG 1 44 THR HA . . 8.260 3.958 3.640 4.372 . 0 0 "[ . 1 . 2 . 3]" 1
48 1 4 VAL QG 1 44 THR HB . . 7.760 4.425 4.030 4.688 . 0 0 "[ . 1 . 2 . 3]" 1
49 1 4 VAL QG 1 45 ILE H . . 8.560 3.861 3.482 4.603 . 0 0 "[ . 1 . 2 . 3]" 1
50 1 4 VAL MG1 1 5 LEU H . . 6.200 2.848 2.256 4.023 . 0 0 "[ . 1 . 2 . 3]" 1
51 1 4 VAL MG2 1 5 LEU H . . 6.200 3.579 2.385 4.221 . 0 0 "[ . 1 . 2 . 3]" 1
52 1 5 LEU H 1 5 LEU HB2 . . 3.700 3.266 2.749 3.784 0.084 10 0 "[ . 1 . 2 . 3]" 1
53 1 5 LEU H 1 5 LEU HB3 . . 3.700 2.532 2.320 2.863 . 0 0 "[ . 1 . 2 . 3]" 1
54 1 5 LEU H 1 44 THR HA . . 4.500 4.325 4.049 4.512 0.012 6 0 "[ . 1 . 2 . 3]" 1
55 1 5 LEU H 1 44 THR MG . . 7.000 3.525 2.865 4.012 . 0 0 "[ . 1 . 2 . 3]" 1
56 1 5 LEU H 1 45 ILE H . . 4.300 3.022 2.721 3.433 . 0 0 "[ . 1 . 2 . 3]" 1
57 1 5 LEU H 1 45 ILE HB . . 6.000 4.008 3.656 4.310 . 0 0 "[ . 1 . 2 . 3]" 1
58 1 5 LEU H 1 46 VAL HA . . 4.400 3.336 2.976 3.550 . 0 0 "[ . 1 . 2 . 3]" 1
59 1 5 LEU H 1 46 VAL HB . . 5.000 4.624 4.261 5.115 0.115 14 0 "[ . 1 . 2 . 3]" 1
60 1 5 LEU H 1 46 VAL QG . . 6.860 4.129 3.203 4.476 . 0 0 "[ . 1 . 2 . 3]" 1
61 1 5 LEU H 1 47 TYR QD . . 8.000 4.878 4.104 5.631 . 0 0 "[ . 1 . 2 . 3]" 1
62 1 5 LEU H 1 47 TYR QE . . 8.000 4.935 4.275 5.758 . 0 0 "[ . 1 . 2 . 3]" 1
63 1 5 LEU HA 1 5 LEU MD1 . . 4.500 3.320 2.185 3.798 . 0 0 "[ . 1 . 2 . 3]" 1
64 1 5 LEU HA 1 5 LEU QD . . 3.860 2.519 2.080 2.961 . 0 0 "[ . 1 . 2 . 3]" 1
65 1 5 LEU HA 1 5 LEU MD2 . . 4.500 2.880 2.098 3.800 . 0 0 "[ . 1 . 2 . 3]" 1
66 1 5 LEU HA 1 6 LYS H . . 2.600 2.234 2.081 2.365 . 0 0 "[ . 1 . 2 . 3]" 1
67 1 5 LEU HA 1 73 ILE HA . . 3.900 3.754 2.487 3.959 0.059 21 0 "[ . 1 . 2 . 3]" 1
68 1 5 LEU HA 1 73 ILE MG . . 7.000 4.866 2.661 5.788 . 0 0 "[ . 1 . 2 . 3]" 1
69 1 5 LEU QB 1 6 LYS H . . 4.120 3.584 2.764 3.724 . 0 0 "[ . 1 . 2 . 3]" 1
70 1 5 LEU QB 1 45 ILE H . . 6.880 3.408 2.438 4.768 . 0 0 "[ . 1 . 2 . 3]" 1
71 1 5 LEU QB 1 47 TYR QE . . 8.380 2.725 2.019 4.386 . 0 0 "[ . 1 . 2 . 3]" 1
72 1 5 LEU HB2 1 6 LYS H . . 4.500 3.941 2.808 4.204 . 0 0 "[ . 1 . 2 . 3]" 1
73 1 5 LEU HB2 1 47 TYR QD . . 8.000 4.523 3.477 6.283 . 0 0 "[ . 1 . 2 . 3]" 1
74 1 5 LEU HB3 1 6 LYS H . . 4.500 4.197 3.787 4.437 . 0 0 "[ . 1 . 2 . 3]" 1
75 1 5 LEU HB3 1 47 TYR QD . . 8.000 3.763 2.970 5.176 . 0 0 "[ . 1 . 2 . 3]" 1
76 1 5 LEU QD 1 6 LYS H . . 4.680 2.250 1.902 3.262 . 0 0 "[ . 1 . 2 . 3]" 1
77 1 5 LEU QD 1 7 MET H . . 8.570 3.165 2.694 4.121 . 0 0 "[ . 1 . 2 . 3]" 1
78 1 5 LEU QD 1 7 MET QG . . 8.750 2.767 1.828 4.031 . 0 0 "[ . 1 . 2 . 3]" 1
79 1 5 LEU QD 1 45 ILE H . . 5.380 2.920 2.063 3.984 . 0 0 "[ . 1 . 2 . 3]" 1
80 1 5 LEU QD 1 45 ILE HB . . 5.970 2.582 1.944 3.589 . 0 0 "[ . 1 . 2 . 3]" 1
81 1 5 LEU QD 1 58 LYS H . . 7.170 4.596 3.561 5.324 . 0 0 "[ . 1 . 2 . 3]" 1
82 1 5 LEU QD 1 73 ILE HA . . 8.370 3.094 2.126 4.195 . 0 0 "[ . 1 . 2 . 3]" 1
83 1 5 LEU MD1 1 6 LYS H . . 5.500 3.308 1.975 4.089 . 0 0 "[ . 1 . 2 . 3]" 1
84 1 5 LEU MD1 1 6 LYS HA . . 7.000 3.907 2.747 5.751 . 0 0 "[ . 1 . 2 . 3]" 1
85 1 5 LEU MD1 1 45 ILE H . . 6.300 3.551 2.066 5.304 . 0 0 "[ . 1 . 2 . 3]" 1
86 1 5 LEU MD1 1 47 TYR QD . . 9.000 4.039 2.581 5.831 . 0 0 "[ . 1 . 2 . 3]" 1
87 1 5 LEU MD2 1 6 LYS H . . 5.500 2.549 1.922 4.592 . 0 0 "[ . 1 . 2 . 3]" 1
88 1 5 LEU MD2 1 6 LYS HA . . 7.000 3.753 2.865 5.385 . 0 0 "[ . 1 . 2 . 3]" 1
89 1 5 LEU MD2 1 45 ILE H . . 6.300 4.208 2.896 5.132 . 0 0 "[ . 1 . 2 . 3]" 1
90 1 5 LEU MD2 1 47 TYR QD . . 9.000 4.949 3.570 5.764 . 0 0 "[ . 1 . 2 . 3]" 1
91 1 5 LEU HG 1 6 LYS H . . 5.000 3.767 1.981 4.690 . 0 0 "[ . 1 . 2 . 3]" 1
92 1 5 LEU HG 1 7 MET QG . . 6.880 5.048 3.828 6.093 . 0 0 "[ . 1 . 2 . 3]" 1
93 1 6 LYS H 1 6 LYS HB2 . . 3.800 2.646 2.319 3.133 . 0 0 "[ . 1 . 2 . 3]" 1
94 1 6 LYS H 1 6 LYS QB . . 3.450 2.459 2.291 2.664 . 0 0 "[ . 1 . 2 . 3]" 1
95 1 6 LYS H 1 6 LYS HB3 . . 3.800 3.141 2.644 3.659 . 0 0 "[ . 1 . 2 . 3]" 1
96 1 6 LYS H 1 6 LYS QG . . 5.100 3.911 3.171 4.205 . 0 0 "[ . 1 . 2 . 3]" 1
97 1 6 LYS H 1 7 MET H . . 5.100 4.354 4.145 4.532 . 0 0 "[ . 1 . 2 . 3]" 1
98 1 6 LYS H 1 73 ILE HA . . 6.000 4.962 3.923 5.550 . 0 0 "[ . 1 . 2 . 3]" 1
99 1 6 LYS HA 1 6 LYS HD2 . . 4.000 3.676 2.310 4.076 0.076 6 0 "[ . 1 . 2 . 3]" 1
100 1 6 LYS HA 1 6 LYS QD . . 3.800 3.183 2.274 3.483 . 0 0 "[ . 1 . 2 . 3]" 1
101 1 6 LYS HA 1 6 LYS HD3 . . 4.000 3.608 2.639 4.091 0.091 9 0 "[ . 1 . 2 . 3]" 1
102 1 6 LYS HA 1 6 LYS QG . . 4.000 2.145 1.981 2.413 . 0 0 "[ . 1 . 2 . 3]" 1
103 1 6 LYS HA 1 7 MET H . . 2.500 2.185 2.109 2.251 . 0 0 "[ . 1 . 2 . 3]" 1
104 1 6 LYS HA 1 44 THR HA . . 3.800 2.456 2.243 2.750 . 0 0 "[ . 1 . 2 . 3]" 1
105 1 6 LYS HA 1 44 THR MG . . 5.900 3.899 3.341 4.359 . 0 0 "[ . 1 . 2 . 3]" 1
106 1 6 LYS HA 1 45 ILE H . . 5.000 3.703 3.308 4.131 . 0 0 "[ . 1 . 2 . 3]" 1
107 1 6 LYS QB 1 7 MET H . . 5.080 3.578 2.799 3.909 . 0 0 "[ . 1 . 2 . 3]" 1
108 1 6 LYS QG 1 7 MET H . . 6.600 3.210 2.437 4.205 . 0 0 "[ . 1 . 2 . 3]" 1
109 1 7 MET H 1 7 MET HB2 . . 3.800 3.668 2.425 3.830 0.030 10 0 "[ . 1 . 2 . 3]" 1
110 1 7 MET H 1 7 MET QB . . 3.450 2.975 2.392 3.108 . 0 0 "[ . 1 . 2 . 3]" 1
111 1 7 MET H 1 7 MET HB3 . . 3.800 3.240 2.912 3.796 . 0 0 "[ . 1 . 2 . 3]" 1
112 1 7 MET H 1 8 LYS H . . 4.700 4.418 4.338 4.478 . 0 0 "[ . 1 . 2 . 3]" 1
113 1 7 MET H 1 43 ALA H . . 3.600 2.949 2.679 3.243 . 0 0 "[ . 1 . 2 . 3]" 1
114 1 7 MET H 1 43 ALA MB . . 5.500 3.558 3.080 3.831 . 0 0 "[ . 1 . 2 . 3]" 1
115 1 7 MET H 1 44 THR HA . . 4.600 3.488 2.954 3.748 . 0 0 "[ . 1 . 2 . 3]" 1
116 1 7 MET HA 1 7 MET HG2 . . 4.100 3.733 2.367 4.126 0.026 10 0 "[ . 1 . 2 . 3]" 1
117 1 7 MET HA 1 7 MET QG . . 3.760 3.271 2.322 3.400 . 0 0 "[ . 1 . 2 . 3]" 1
118 1 7 MET HA 1 7 MET HG3 . . 4.100 3.665 3.163 3.847 . 0 0 "[ . 1 . 2 . 3]" 1
119 1 7 MET HA 1 8 LYS H . . 2.700 2.264 2.128 2.363 . 0 0 "[ . 1 . 2 . 3]" 1
120 1 7 MET HA 1 8 LYS QG . . 5.580 4.716 4.313 4.994 . 0 0 "[ . 1 . 2 . 3]" 1
121 1 7 MET HA 1 9 VAL QG . . 7.560 4.909 4.469 5.151 . 0 0 "[ . 1 . 2 . 3]" 1
122 1 7 MET HA 1 70 VAL HA . . 3.400 2.625 2.272 3.105 . 0 0 "[ . 1 . 2 . 3]" 1
123 1 7 MET HA 1 71 LYS H . . 3.900 2.677 2.135 3.133 . 0 0 "[ . 1 . 2 . 3]" 1
124 1 7 MET QB 1 8 LYS H . . 3.850 2.620 2.261 3.010 . 0 0 "[ . 1 . 2 . 3]" 1
125 1 7 MET QB 1 8 LYS HA . . 5.680 4.518 4.080 4.918 . 0 0 "[ . 1 . 2 . 3]" 1
126 1 7 MET QB 1 43 ALA H . . 6.280 4.479 3.460 4.889 . 0 0 "[ . 1 . 2 . 3]" 1
127 1 7 MET QB 1 70 VAL HA . . 6.880 2.969 2.405 4.161 . 0 0 "[ . 1 . 2 . 3]" 1
128 1 7 MET QB 1 70 VAL QG . . 7.140 3.103 2.195 4.636 . 0 0 "[ . 1 . 2 . 3]" 1
129 1 7 MET QB 1 71 LYS H . . 6.880 3.901 3.282 4.958 . 0 0 "[ . 1 . 2 . 3]" 1
130 1 7 MET HB2 1 8 LYS H . . 4.100 2.781 2.281 4.103 0.003 13 0 "[ . 1 . 2 . 3]" 1
131 1 7 MET HB3 1 8 LYS H . . 4.100 3.763 2.502 4.052 . 0 0 "[ . 1 . 2 . 3]" 1
132 1 7 MET QG 1 70 VAL HA . . 6.880 4.717 2.605 5.478 . 0 0 "[ . 1 . 2 . 3]" 1
133 1 8 LYS H 1 8 LYS HB2 . . 3.600 2.291 2.132 2.440 . 0 0 "[ . 1 . 2 . 3]" 1
134 1 8 LYS H 1 8 LYS QB . . 3.390 2.254 2.100 2.400 . 0 0 "[ . 1 . 2 . 3]" 1
135 1 8 LYS H 1 8 LYS HB3 . . 3.600 3.371 3.102 3.556 . 0 0 "[ . 1 . 2 . 3]" 1
136 1 8 LYS H 1 8 LYS HG2 . . 4.700 3.718 3.309 4.115 . 0 0 "[ . 1 . 2 . 3]" 1
137 1 8 LYS H 1 8 LYS QG . . 4.280 3.534 3.190 3.831 . 0 0 "[ . 1 . 2 . 3]" 1
138 1 8 LYS H 1 8 LYS HG3 . . 4.700 4.426 4.183 4.666 . 0 0 "[ . 1 . 2 . 3]" 1
139 1 8 LYS H 1 69 PHE H . . 4.600 3.146 2.829 3.476 . 0 0 "[ . 1 . 2 . 3]" 1
140 1 8 LYS H 1 69 PHE QB . . 6.880 3.399 3.028 3.897 . 0 0 "[ . 1 . 2 . 3]" 1
141 1 8 LYS H 1 71 LYS QD . . 7.000 4.742 3.605 5.781 . 0 0 "[ . 1 . 2 . 3]" 1
142 1 8 LYS HA 1 8 LYS HD2 . . 4.000 2.636 2.170 3.465 . 0 0 "[ . 1 . 2 . 3]" 1
143 1 8 LYS HA 1 8 LYS QD . . 3.650 2.209 2.034 2.363 . 0 0 "[ . 1 . 2 . 3]" 1
144 1 8 LYS HA 1 8 LYS HD3 . . 4.000 2.540 2.104 3.585 . 0 0 "[ . 1 . 2 . 3]" 1
145 1 8 LYS HA 1 8 LYS HE2 . . 4.900 4.626 3.947 4.913 0.013 20 0 "[ . 1 . 2 . 3]" 1
146 1 8 LYS HA 1 8 LYS HE3 . . 4.900 4.657 3.824 4.903 0.003 30 0 "[ . 1 . 2 . 3]" 1
147 1 8 LYS HA 1 8 LYS HG2 . . 4.200 2.579 2.406 2.855 . 0 0 "[ . 1 . 2 . 3]" 1
148 1 8 LYS HA 1 8 LYS QG . . 3.770 2.526 2.371 2.765 . 0 0 "[ . 1 . 2 . 3]" 1
149 1 8 LYS HA 1 8 LYS HG3 . . 4.200 3.625 3.575 3.699 . 0 0 "[ . 1 . 2 . 3]" 1
150 1 8 LYS HA 1 9 VAL H . . 2.600 2.202 2.133 2.281 . 0 0 "[ . 1 . 2 . 3]" 1
151 1 8 LYS HA 1 42 GLU HA . . 3.500 2.484 2.227 2.830 . 0 0 "[ . 1 . 2 . 3]" 1
152 1 8 LYS HA 1 43 ALA H . . 4.600 3.657 3.364 3.871 . 0 0 "[ . 1 . 2 . 3]" 1
153 1 8 LYS QB 1 69 PHE H . . 6.880 3.354 3.038 3.729 . 0 0 "[ . 1 . 2 . 3]" 1
154 1 8 LYS QB 1 69 PHE QB . . 6.670 2.343 2.030 3.004 . 0 0 "[ . 1 . 2 . 3]" 1
155 1 8 LYS QB 1 69 PHE QD . . 8.880 4.039 3.127 4.887 . 0 0 "[ . 1 . 2 . 3]" 1
156 1 8 LYS QB 1 69 PHE QE . . 8.880 5.931 5.195 6.757 . 0 0 "[ . 1 . 2 . 3]" 1
157 1 8 LYS HB2 1 69 PHE HB2 . . 7.750 3.373 2.453 4.262 . 0 0 "[ . 1 . 2 . 3]" 1
158 1 8 LYS HB2 1 69 PHE HB3 . . 7.750 2.575 2.127 3.577 . 0 0 "[ . 1 . 2 . 3]" 1
159 1 8 LYS HB3 1 69 PHE HB2 . . 7.750 3.532 2.614 4.691 . 0 0 "[ . 1 . 2 . 3]" 1
160 1 8 LYS HB3 1 69 PHE HB3 . . 7.750 3.521 2.430 4.888 . 0 0 "[ . 1 . 2 . 3]" 1
161 1 8 LYS QD 1 41 GLN HA . . 5.580 4.610 4.239 4.990 . 0 0 "[ . 1 . 2 . 3]" 1
162 1 8 LYS QD 1 42 GLU H . . 6.880 4.449 3.897 4.981 . 0 0 "[ . 1 . 2 . 3]" 1
163 1 8 LYS QD 1 42 GLU HA . . 6.880 3.004 2.390 3.618 . 0 0 "[ . 1 . 2 . 3]" 1
164 1 8 LYS HD2 1 9 VAL H . . 6.000 2.840 2.259 3.555 . 0 0 "[ . 1 . 2 . 3]" 1
165 1 8 LYS HD3 1 9 VAL H . . 6.000 3.441 2.461 4.530 . 0 0 "[ . 1 . 2 . 3]" 1
166 1 8 LYS QG 1 9 VAL H . . 5.210 4.154 3.956 4.527 . 0 0 "[ . 1 . 2 . 3]" 1
167 1 8 LYS QG 1 69 PHE QB . . 7.750 3.686 3.177 4.246 . 0 0 "[ . 1 . 2 . 3]" 1
168 1 8 LYS HG2 1 9 VAL H . . 5.800 4.456 4.172 4.900 . 0 0 "[ . 1 . 2 . 3]" 1
169 1 8 LYS HG3 1 9 VAL H . . 5.800 4.979 4.621 5.324 . 0 0 "[ . 1 . 2 . 3]" 1
170 1 9 VAL H 1 9 VAL HB . . 3.500 2.751 2.568 3.058 . 0 0 "[ . 1 . 2 . 3]" 1
171 1 9 VAL H 1 9 VAL MG1 . . 4.800 3.908 3.834 3.980 . 0 0 "[ . 1 . 2 . 3]" 1
172 1 9 VAL H 1 9 VAL QG . . 4.280 2.613 2.445 2.752 . 0 0 "[ . 1 . 2 . 3]" 1
173 1 9 VAL H 1 9 VAL MG2 . . 4.800 2.655 2.471 2.811 . 0 0 "[ . 1 . 2 . 3]" 1
174 1 9 VAL H 1 10 GLU QG . . 6.880 4.007 3.364 5.083 . 0 0 "[ . 1 . 2 . 3]" 1
175 1 9 VAL H 1 42 GLU HA . . 4.000 3.030 2.596 3.741 . 0 0 "[ . 1 . 2 . 3]" 1
176 1 9 VAL H 1 42 GLU QB . . 6.180 4.868 4.341 5.509 . 0 0 "[ . 1 . 2 . 3]" 1
177 1 9 VAL HA 1 10 GLU H . . 3.000 2.423 2.255 2.669 . 0 0 "[ . 1 . 2 . 3]" 1
178 1 9 VAL QG 1 10 GLU H . . 6.360 3.626 3.407 3.795 . 0 0 "[ . 1 . 2 . 3]" 1
179 1 9 VAL QG 1 12 MET QG . . 6.650 2.992 2.388 3.628 . 0 0 "[ . 1 . 2 . 3]" 1
180 1 9 VAL QG 1 42 GLU H . . 8.060 4.617 4.096 5.148 . 0 0 "[ . 1 . 2 . 3]" 1
181 1 9 VAL QG 1 42 GLU HA . . 6.660 3.344 2.636 4.046 . 0 0 "[ . 1 . 2 . 3]" 1
182 1 9 VAL QG 1 43 ALA H . . 6.460 3.239 2.758 3.808 . 0 0 "[ . 1 . 2 . 3]" 1
183 1 9 VAL QG 1 43 ALA MB . . 6.360 2.136 1.928 2.933 . 0 0 "[ . 1 . 2 . 3]" 1
184 1 9 VAL QG 1 66 PHE QB . . 7.160 3.504 2.862 4.050 . 0 0 "[ . 1 . 2 . 3]" 1
185 1 9 VAL MG1 1 12 MET HG2 . . 8.420 3.616 2.429 4.284 . 0 0 "[ . 1 . 2 . 3]" 1
186 1 9 VAL MG1 1 12 MET HG3 . . 8.420 3.497 2.538 4.545 . 0 0 "[ . 1 . 2 . 3]" 1
187 1 9 VAL MG1 1 66 PHE HB2 . . 8.920 4.025 3.323 4.642 . 0 0 "[ . 1 . 2 . 3]" 1
188 1 9 VAL MG1 1 66 PHE HB3 . . 8.920 3.946 3.165 4.603 . 0 0 "[ . 1 . 2 . 3]" 1
189 1 9 VAL MG2 1 12 MET HG2 . . 8.420 6.044 4.783 6.771 . 0 0 "[ . 1 . 2 . 3]" 1
190 1 9 VAL MG2 1 12 MET HG3 . . 8.420 5.950 4.787 6.931 . 0 0 "[ . 1 . 2 . 3]" 1
191 1 9 VAL MG2 1 66 PHE HB2 . . 8.920 6.162 5.337 6.758 . 0 0 "[ . 1 . 2 . 3]" 1
192 1 9 VAL MG2 1 66 PHE HB3 . . 8.920 6.231 5.481 6.812 . 0 0 "[ . 1 . 2 . 3]" 1
193 1 10 GLU H 1 10 GLU HG2 . . 4.600 2.411 1.977 3.369 . 0 0 "[ . 1 . 2 . 3]" 1
194 1 10 GLU H 1 10 GLU HG3 . . 4.600 3.375 2.041 4.294 . 0 0 "[ . 1 . 2 . 3]" 1
195 1 10 GLU H 1 67 PRO QB . . 6.880 5.621 4.352 6.137 . 0 0 "[ . 1 . 2 . 3]" 1
196 1 10 GLU H 1 67 PRO QG . . 6.880 5.079 3.960 5.689 . 0 0 "[ . 1 . 2 . 3]" 1
197 1 10 GLU H 1 68 ALA HA . . 5.700 2.524 2.099 2.899 . 0 0 "[ . 1 . 2 . 3]" 1
198 1 10 GLU H 1 69 PHE H . . 4.300 4.297 4.028 4.363 0.063 19 0 "[ . 1 . 2 . 3]" 1
199 1 10 GLU HA 1 10 GLU HG2 . . 3.700 2.931 2.274 3.563 . 0 0 "[ . 1 . 2 . 3]" 1
200 1 10 GLU HA 1 10 GLU QG . . 3.440 2.809 2.245 3.225 . 0 0 "[ . 1 . 2 . 3]" 1
201 1 10 GLU HA 1 10 GLU HG3 . . 3.700 3.689 3.379 3.769 0.069 23 0 "[ . 1 . 2 . 3]" 1
202 1 10 GLU HA 1 11 GLY H . . 3.100 2.400 2.137 2.670 . 0 0 "[ . 1 . 2 . 3]" 1
203 1 10 GLU HA 1 12 MET H . . 4.500 3.924 3.493 4.504 0.004 19 0 "[ . 1 . 2 . 3]" 1
204 1 10 GLU QB 1 11 GLY H . . 3.870 2.542 2.153 3.413 . 0 0 "[ . 1 . 2 . 3]" 1
205 1 10 GLU HB2 1 11 GLY H . . 4.300 3.577 2.281 4.309 0.009 16 0 "[ . 1 . 2 . 3]" 1
206 1 10 GLU HB3 1 11 GLY H . . 4.300 2.707 2.181 3.788 . 0 0 "[ . 1 . 2 . 3]" 1
207 1 10 GLU QG 1 69 PHE QD . . 8.880 5.081 4.233 5.444 . 0 0 "[ . 1 . 2 . 3]" 1
208 1 10 GLU QG 1 69 PHE QE . . 8.880 6.761 6.020 7.069 . 0 0 "[ . 1 . 2 . 3]" 1
209 1 11 GLY H 1 12 MET H . . 4.000 3.328 2.804 3.867 . 0 0 "[ . 1 . 2 . 3]" 1
210 1 11 GLY QA 1 12 MET QB . . 6.550 4.516 3.927 4.696 . 0 0 "[ . 1 . 2 . 3]" 1
211 1 11 GLY QA 1 66 PHE QD . . 7.560 2.670 2.189 4.237 . 0 0 "[ . 1 . 2 . 3]" 1
212 1 11 GLY HA2 1 66 PHE QD . . 8.000 4.085 3.440 5.809 . 0 0 "[ . 1 . 2 . 3]" 1
213 1 11 GLY HA3 1 66 PHE QD . . 8.000 2.711 2.208 4.354 . 0 0 "[ . 1 . 2 . 3]" 1
214 1 12 MET H 1 12 MET QB . . 3.860 2.324 2.030 2.526 . 0 0 "[ . 1 . 2 . 3]" 1
215 1 12 MET H 1 12 MET HG2 . . 5.000 3.602 2.364 4.866 . 0 0 "[ . 1 . 2 . 3]" 1
216 1 12 MET H 1 12 MET QG . . 4.400 2.999 2.224 3.895 . 0 0 "[ . 1 . 2 . 3]" 1
217 1 12 MET H 1 12 MET HG3 . . 5.000 3.512 2.254 4.260 . 0 0 "[ . 1 . 2 . 3]" 1
218 1 12 MET HA 1 12 MET HG2 . . 3.900 2.994 2.408 3.642 . 0 0 "[ . 1 . 2 . 3]" 1
219 1 12 MET HA 1 12 MET HG3 . . 3.900 2.970 2.228 3.758 . 0 0 "[ . 1 . 2 . 3]" 1
220 1 12 MET HA 1 66 PHE QD . . 7.100 3.983 2.761 6.215 . 0 0 "[ . 1 . 2 . 3]" 1
221 1 12 MET QB 1 17 CYS QB . . 5.050 2.906 2.263 3.975 . 0 0 "[ . 1 . 2 . 3]" 1
222 1 12 MET QB 1 38 LEU QD . . 6.660 2.615 1.887 4.328 . 0 0 "[ . 1 . 2 . 3]" 1
223 1 12 MET HB2 1 17 CYS HB2 . . 6.000 4.597 3.721 5.775 . 0 0 "[ . 1 . 2 . 3]" 1
224 1 12 MET HB2 1 17 CYS HB3 . . 6.000 4.616 3.908 5.422 . 0 0 "[ . 1 . 2 . 3]" 1
225 1 12 MET HB2 1 38 LEU MD1 . . 8.340 4.668 2.314 6.959 . 0 0 "[ . 1 . 2 . 3]" 1
226 1 12 MET HB2 1 38 LEU MD2 . . 8.340 3.633 2.337 5.643 . 0 0 "[ . 1 . 2 . 3]" 1
227 1 12 MET HB3 1 17 CYS HB2 . . 6.000 3.405 2.377 4.885 . 0 0 "[ . 1 . 2 . 3]" 1
228 1 12 MET HB3 1 17 CYS HB3 . . 6.000 3.734 2.353 5.380 . 0 0 "[ . 1 . 2 . 3]" 1
229 1 12 MET HB3 1 38 LEU MD1 . . 8.340 3.899 2.046 6.772 . 0 0 "[ . 1 . 2 . 3]" 1
230 1 12 MET HB3 1 38 LEU MD2 . . 8.340 3.001 2.069 4.815 . 0 0 "[ . 1 . 2 . 3]" 1
231 1 12 MET QG 1 17 CYS QB . . 5.450 2.438 1.963 3.550 . 0 0 "[ . 1 . 2 . 3]" 1
232 1 12 MET QG 1 21 ILE MD . . 6.200 3.502 2.172 4.133 . 0 0 "[ . 1 . 2 . 3]" 1
233 1 12 MET QG 1 21 ILE MG . . 7.580 5.346 4.771 5.637 . 0 0 "[ . 1 . 2 . 3]" 1
234 1 12 MET HG2 1 17 CYS HB2 . . 6.000 3.536 2.342 5.652 . 0 0 "[ . 1 . 2 . 3]" 1
235 1 12 MET HG2 1 17 CYS HB3 . . 6.000 3.391 2.271 5.532 . 0 0 "[ . 1 . 2 . 3]" 1
236 1 12 MET HG2 1 21 ILE MD . . 6.700 4.147 3.047 5.353 . 0 0 "[ . 1 . 2 . 3]" 1
237 1 12 MET HG2 1 66 PHE QD . . 7.800 4.121 3.123 6.067 . 0 0 "[ . 1 . 2 . 3]" 1
238 1 12 MET HG3 1 17 CYS HB2 . . 6.000 3.419 2.316 5.740 . 0 0 "[ . 1 . 2 . 3]" 1
239 1 12 MET HG3 1 17 CYS HB3 . . 6.000 3.219 2.318 4.782 . 0 0 "[ . 1 . 2 . 3]" 1
240 1 12 MET HG3 1 21 ILE MD . . 6.700 4.028 2.197 4.940 . 0 0 "[ . 1 . 2 . 3]" 1
241 1 12 MET HG3 1 66 PHE QD . . 7.800 3.980 3.153 5.193 . 0 0 "[ . 1 . 2 . 3]" 1
242 1 13 THR HA 1 13 THR HB . . 2.700 2.464 2.332 2.694 . 0 0 "[ . 1 . 2 . 3]" 1
243 1 13 THR HA 1 38 LEU QD . . 7.470 3.215 2.105 5.280 . 0 0 "[ . 1 . 2 . 3]" 1
244 1 13 THR MG 1 14 CYS QB . . 7.880 4.105 2.662 5.630 . 0 0 "[ . 1 . 2 . 3]" 1
245 1 14 CYS HA 1 14 CYS HB2 . . 3.000 2.679 2.290 3.032 0.032 19 0 "[ . 1 . 2 . 3]" 1
246 1 14 CYS HA 1 14 CYS HB3 . . 3.000 2.752 2.477 3.031 0.031 17 0 "[ . 1 . 2 . 3]" 1
247 1 14 CYS HA 1 38 LEU MD1 . . 6.900 3.938 2.015 5.791 . 0 0 "[ . 1 . 2 . 3]" 1
248 1 14 CYS HA 1 38 LEU QD . . 5.900 3.286 2.011 4.403 . 0 0 "[ . 1 . 2 . 3]" 1
249 1 14 CYS HA 1 38 LEU MD2 . . 6.900 4.287 2.051 5.775 . 0 0 "[ . 1 . 2 . 3]" 1
250 1 14 CYS QB 1 38 LEU QD . . 9.450 3.995 3.000 4.683 . 0 0 "[ . 1 . 2 . 3]" 1
251 1 15 HIS HA 1 18 THR MG . . 6.200 3.850 2.157 5.471 . 0 0 "[ . 1 . 2 . 3]" 1
252 1 15 HIS HA 1 38 LEU MD1 . . 7.000 2.790 1.994 4.582 . 0 0 "[ . 1 . 2 . 3]" 1
253 1 15 HIS HA 1 38 LEU QD . . 6.010 2.578 1.873 4.067 . 0 0 "[ . 1 . 2 . 3]" 1
254 1 15 HIS HA 1 38 LEU MD2 . . 7.000 3.567 2.110 6.015 . 0 0 "[ . 1 . 2 . 3]" 1
255 1 15 HIS QB 1 18 THR MG . . 8.000 4.939 3.157 6.552 . 0 0 "[ . 1 . 2 . 3]" 1
256 1 15 HIS QB 1 38 LEU QD . . 9.570 3.584 2.611 4.866 . 0 0 "[ . 1 . 2 . 3]" 1
257 1 16 SER QB 1 38 LEU QB . . 7.750 6.082 5.464 6.201 . 0 0 "[ . 1 . 2 . 3]" 1
258 1 16 SER QB 1 38 LEU QD . . 8.550 4.176 3.312 5.350 . 0 0 "[ . 1 . 2 . 3]" 1
259 1 16 SER QB 1 38 LEU HG . . 6.880 5.883 5.139 6.236 . 0 0 "[ . 1 . 2 . 3]" 1
260 1 17 CYS HA 1 20 THR HB . . 3.600 3.312 2.727 3.624 0.024 3 0 "[ . 1 . 2 . 3]" 1
261 1 17 CYS HA 1 20 THR MG . . 6.500 4.228 2.624 4.646 . 0 0 "[ . 1 . 2 . 3]" 1
262 1 17 CYS HA 1 66 PHE QE . . 7.800 6.292 5.065 6.989 . 0 0 "[ . 1 . 2 . 3]" 1
263 1 17 CYS QB 1 18 THR H . . 4.740 3.719 1.919 4.059 . 0 0 "[ . 1 . 2 . 3]" 1
264 1 17 CYS QB 1 18 THR HA . . 5.730 4.454 3.695 4.651 . 0 0 "[ . 1 . 2 . 3]" 1
265 1 17 CYS QB 1 18 THR MG . . 6.650 3.994 2.953 4.555 . 0 0 "[ . 1 . 2 . 3]" 1
266 1 17 CYS QB 1 38 LEU QD . . 8.520 3.273 2.161 4.847 . 0 0 "[ . 1 . 2 . 3]" 1
267 1 17 CYS QB 1 66 PHE QE . . 7.470 4.445 3.267 5.834 . 0 0 "[ . 1 . 2 . 3]" 1
268 1 17 CYS HB2 1 18 THR H . . 5.200 4.317 2.220 4.729 . 0 0 "[ . 1 . 2 . 3]" 1
269 1 17 CYS HB2 1 18 THR HA . . 5.900 5.403 4.118 5.958 0.058 21 0 "[ . 1 . 2 . 3]" 1
270 1 17 CYS HB2 1 18 THR MG . . 7.000 4.502 3.364 5.110 . 0 0 "[ . 1 . 2 . 3]" 1
271 1 17 CYS HB2 1 21 ILE MD . . 7.000 3.735 2.271 4.584 . 0 0 "[ . 1 . 2 . 3]" 1
272 1 17 CYS HB2 1 38 LEU MD1 . . 10.140 4.508 2.627 7.763 . 0 0 "[ . 1 . 2 . 3]" 1
273 1 17 CYS HB2 1 38 LEU MD2 . . 10.140 4.087 2.284 5.810 . 0 0 "[ . 1 . 2 . 3]" 1
274 1 17 CYS HB2 1 66 PHE QE . . 8.000 5.226 4.279 6.586 . 0 0 "[ . 1 . 2 . 3]" 1
275 1 17 CYS HB3 1 18 THR H . . 5.200 4.132 2.014 4.668 . 0 0 "[ . 1 . 2 . 3]" 1
276 1 17 CYS HB3 1 18 THR HA . . 5.900 4.841 3.916 5.951 0.051 6 0 "[ . 1 . 2 . 3]" 1
277 1 17 CYS HB3 1 18 THR MG . . 7.000 4.592 3.001 5.382 . 0 0 "[ . 1 . 2 . 3]" 1
278 1 17 CYS HB3 1 21 ILE MD . . 7.000 2.716 2.128 4.091 . 0 0 "[ . 1 . 2 . 3]" 1
279 1 17 CYS HB3 1 38 LEU MD1 . . 10.140 5.109 2.614 8.464 . 0 0 "[ . 1 . 2 . 3]" 1
280 1 17 CYS HB3 1 38 LEU MD2 . . 10.140 4.510 2.848 6.534 . 0 0 "[ . 1 . 2 . 3]" 1
281 1 17 CYS HB3 1 66 PHE QE . . 8.000 4.853 3.390 6.856 . 0 0 "[ . 1 . 2 . 3]" 1
282 1 18 THR H 1 18 THR MG . . 4.500 2.902 2.186 3.297 . 0 0 "[ . 1 . 2 . 3]" 1
283 1 18 THR H 1 21 ILE H . . 4.200 4.025 3.566 4.240 0.040 9 0 "[ . 1 . 2 . 3]" 1
284 1 18 THR HA 1 18 THR HB . . 2.900 2.520 2.205 2.608 . 0 0 "[ . 1 . 2 . 3]" 1
285 1 18 THR HA 1 18 THR MG . . 3.600 2.401 2.236 3.119 . 0 0 "[ . 1 . 2 . 3]" 1
286 1 18 THR HA 1 21 ILE H . . 6.000 3.725 3.515 3.852 . 0 0 "[ . 1 . 2 . 3]" 1
287 1 18 THR HA 1 21 ILE HB . . 4.000 2.875 2.653 2.999 . 0 0 "[ . 1 . 2 . 3]" 1
288 1 18 THR HA 1 21 ILE MD . . 5.600 3.275 2.760 4.068 . 0 0 "[ . 1 . 2 . 3]" 1
289 1 18 THR HA 1 21 ILE HG12 . . 6.000 4.860 4.560 5.168 . 0 0 "[ . 1 . 2 . 3]" 1
290 1 18 THR HA 1 21 ILE QG . . 5.450 4.579 4.302 4.776 . 0 0 "[ . 1 . 2 . 3]" 1
291 1 18 THR HA 1 21 ILE HG13 . . 6.000 5.631 5.156 5.905 . 0 0 "[ . 1 . 2 . 3]" 1
292 1 18 THR HA 1 21 ILE MG . . 4.500 3.792 3.772 3.810 . 0 0 "[ . 1 . 2 . 3]" 1
293 1 18 THR HA 1 22 GLU HG2 . . 6.000 4.843 4.336 5.266 . 0 0 "[ . 1 . 2 . 3]" 1
294 1 18 THR HA 1 22 GLU HG3 . . 6.000 3.463 3.080 3.773 . 0 0 "[ . 1 . 2 . 3]" 1
295 1 18 THR HA 1 36 VAL HB . . 4.400 3.106 2.157 3.657 . 0 0 "[ . 1 . 2 . 3]" 1
296 1 18 THR HA 1 36 VAL MG1 . . 6.800 2.522 2.302 2.763 . 0 0 "[ . 1 . 2 . 3]" 1
297 1 18 THR HA 1 36 VAL QG . . 5.760 2.460 2.234 2.677 . 0 0 "[ . 1 . 2 . 3]" 1
298 1 18 THR HA 1 36 VAL MG2 . . 6.800 3.445 2.947 3.806 . 0 0 "[ . 1 . 2 . 3]" 1
299 1 18 THR HB 1 22 GLU HG2 . . 6.000 4.837 4.403 5.751 . 0 0 "[ . 1 . 2 . 3]" 1
300 1 18 THR HB 1 22 GLU HG3 . . 6.000 3.576 3.140 4.529 . 0 0 "[ . 1 . 2 . 3]" 1
301 1 18 THR HB 1 36 VAL HB . . 3.500 2.943 2.174 3.508 0.008 18 0 "[ . 1 . 2 . 3]" 1
302 1 18 THR HB 1 36 VAL QG . . 7.160 3.197 2.136 3.683 . 0 0 "[ . 1 . 2 . 3]" 1
303 1 18 THR MG 1 36 VAL HB . . 5.100 3.195 2.387 4.216 . 0 0 "[ . 1 . 2 . 3]" 1
304 1 18 THR MG 1 36 VAL QG . . 7.260 2.217 1.895 3.691 . 0 0 "[ . 1 . 2 . 3]" 1
305 1 18 THR MG 1 38 LEU H . . 6.000 2.978 2.255 4.160 . 0 0 "[ . 1 . 2 . 3]" 1
306 1 18 THR MG 1 38 LEU HA . . 5.900 3.789 2.709 4.914 . 0 0 "[ . 1 . 2 . 3]" 1
307 1 18 THR MG 1 38 LEU HB2 . . 5.900 2.517 2.001 4.159 . 0 0 "[ . 1 . 2 . 3]" 1
308 1 18 THR MG 1 38 LEU QB . . 5.220 2.447 1.924 3.853 . 0 0 "[ . 1 . 2 . 3]" 1
309 1 18 THR MG 1 38 LEU HB3 . . 5.900 3.546 2.190 4.595 . 0 0 "[ . 1 . 2 . 3]" 1
310 1 18 THR MG 1 38 LEU QD . . 7.970 2.241 1.884 3.410 . 0 0 "[ . 1 . 2 . 3]" 1
311 1 19 SER H 1 19 SER HB2 . . 3.800 2.624 2.295 3.588 . 0 0 "[ . 1 . 2 . 3]" 1
312 1 19 SER H 1 19 SER HB3 . . 3.800 3.058 2.560 3.632 . 0 0 "[ . 1 . 2 . 3]" 1
313 1 19 SER H 1 20 THR H . . 4.500 3.084 2.993 3.229 . 0 0 "[ . 1 . 2 . 3]" 1
314 1 19 SER HA 1 20 THR MG . . 7.000 5.907 5.806 5.933 . 0 0 "[ . 1 . 2 . 3]" 1
315 1 19 SER HA 1 22 GLU H . . 3.000 3.034 2.958 3.080 0.080 22 0 "[ . 1 . 2 . 3]" 1
316 1 19 SER HA 1 22 GLU HB2 . . 3.800 2.154 2.067 2.250 . 0 0 "[ . 1 . 2 . 3]" 1
317 1 19 SER HA 1 22 GLU QB . . 3.450 2.142 2.056 2.233 . 0 0 "[ . 1 . 2 . 3]" 1
318 1 19 SER HA 1 22 GLU HB3 . . 3.800 3.785 3.618 3.829 0.029 11 0 "[ . 1 . 2 . 3]" 1
319 1 19 SER HA 1 22 GLU QG . . 6.880 2.991 2.408 3.439 . 0 0 "[ . 1 . 2 . 3]" 1
320 1 19 SER HB2 1 20 THR H . . 5.100 3.441 2.721 4.041 . 0 0 "[ . 1 . 2 . 3]" 1
321 1 19 SER HB3 1 20 THR H . . 5.100 3.310 2.675 4.037 . 0 0 "[ . 1 . 2 . 3]" 1
322 1 20 THR H 1 20 THR HB . . 3.100 2.307 2.056 2.540 . 0 0 "[ . 1 . 2 . 3]" 1
323 1 20 THR H 1 21 ILE H . . 3.900 2.930 2.680 3.101 . 0 0 "[ . 1 . 2 . 3]" 1
324 1 20 THR HA 1 20 THR MG . . 3.600 2.544 2.285 3.023 . 0 0 "[ . 1 . 2 . 3]" 1
325 1 20 THR HA 1 22 GLU H . . 4.600 4.639 4.536 4.661 0.061 16 0 "[ . 1 . 2 . 3]" 1
326 1 20 THR HB 1 21 ILE H . . 3.300 2.584 2.305 3.314 0.014 22 0 "[ . 1 . 2 . 3]" 1
327 1 20 THR MG 1 21 ILE HA . . 6.300 3.231 3.096 3.434 . 0 0 "[ . 1 . 2 . 3]" 1
328 1 21 ILE H 1 21 ILE HB . . 3.700 2.177 2.123 2.256 . 0 0 "[ . 1 . 2 . 3]" 1
329 1 21 ILE H 1 21 ILE MD . . 5.600 2.184 2.079 2.458 . 0 0 "[ . 1 . 2 . 3]" 1
330 1 21 ILE H 1 21 ILE HG12 . . 4.000 4.035 4.018 4.050 0.050 20 0 "[ . 1 . 2 . 3]" 1
331 1 21 ILE H 1 21 ILE HG13 . . 4.000 3.495 2.944 4.021 0.021 22 0 "[ . 1 . 2 . 3]" 1
332 1 21 ILE H 1 22 GLU H . . 4.200 2.635 2.571 2.729 . 0 0 "[ . 1 . 2 . 3]" 1
333 1 21 ILE HA 1 21 ILE HG12 . . 3.600 3.454 3.102 3.615 0.015 22 0 "[ . 1 . 2 . 3]" 1
334 1 21 ILE HA 1 21 ILE QG . . 3.390 2.209 2.146 2.378 . 0 0 "[ . 1 . 2 . 3]" 1
335 1 21 ILE HA 1 21 ILE HG13 . . 3.600 2.236 2.169 2.412 . 0 0 "[ . 1 . 2 . 3]" 1
336 1 21 ILE HA 1 21 ILE MG . . 3.500 2.712 2.631 2.767 . 0 0 "[ . 1 . 2 . 3]" 1
337 1 21 ILE HA 1 24 LYS H . . 6.000 3.775 3.583 3.968 . 0 0 "[ . 1 . 2 . 3]" 1
338 1 21 ILE HA 1 24 LYS QB . . 4.880 2.767 2.484 3.119 . 0 0 "[ . 1 . 2 . 3]" 1
339 1 21 ILE HB 1 22 GLU H . . 3.400 2.794 2.696 2.901 . 0 0 "[ . 1 . 2 . 3]" 1
340 1 21 ILE MD 1 61 ILE QG . . 7.680 4.624 3.702 5.381 . 0 0 "[ . 1 . 2 . 3]" 1
341 1 21 ILE MD 1 61 ILE MG . . 7.500 4.304 3.692 4.708 . 0 0 "[ . 1 . 2 . 3]" 1
342 1 21 ILE MD 1 66 PHE QD . . 7.700 4.361 3.376 5.226 . 0 0 "[ . 1 . 2 . 3]" 1
343 1 21 ILE MD 1 66 PHE QE . . 9.000 4.365 2.531 5.289 . 0 0 "[ . 1 . 2 . 3]" 1
344 1 21 ILE QG 1 61 ILE MG . . 5.480 3.362 2.919 3.740 . 0 0 "[ . 1 . 2 . 3]" 1
345 1 21 ILE QG 1 66 PHE QD . . 7.700 4.970 3.503 5.904 . 0 0 "[ . 1 . 2 . 3]" 1
346 1 21 ILE QG 1 66 PHE QE . . 8.880 5.635 3.871 6.588 . 0 0 "[ . 1 . 2 . 3]" 1
347 1 21 ILE HG12 1 66 PHE QD . . 8.000 5.387 3.663 6.562 . 0 0 "[ . 1 . 2 . 3]" 1
348 1 21 ILE HG13 1 66 PHE QD . . 8.000 5.864 4.455 6.695 . 0 0 "[ . 1 . 2 . 3]" 1
349 1 21 ILE MG 1 22 GLU H . . 5.700 3.027 2.890 3.163 . 0 0 "[ . 1 . 2 . 3]" 1
350 1 21 ILE MG 1 22 GLU HA . . 5.700 3.105 2.907 3.275 . 0 0 "[ . 1 . 2 . 3]" 1
351 1 21 ILE MG 1 22 GLU HG2 . . 6.200 3.641 3.244 4.024 . 0 0 "[ . 1 . 2 . 3]" 1
352 1 21 ILE MG 1 22 GLU HG3 . . 6.200 3.495 3.019 4.118 . 0 0 "[ . 1 . 2 . 3]" 1
353 1 22 GLU H 1 22 GLU HB2 . . 3.600 2.497 2.354 2.644 . 0 0 "[ . 1 . 2 . 3]" 1
354 1 22 GLU H 1 22 GLU QB . . 3.200 2.452 2.321 2.581 . 0 0 "[ . 1 . 2 . 3]" 1
355 1 22 GLU H 1 22 GLU HB3 . . 3.600 3.582 3.531 3.611 0.011 30 0 "[ . 1 . 2 . 3]" 1
356 1 22 GLU H 1 22 GLU HG2 . . 4.200 3.288 2.868 3.588 . 0 0 "[ . 1 . 2 . 3]" 1
357 1 22 GLU H 1 22 GLU QG . . 3.910 2.194 2.053 2.408 . 0 0 "[ . 1 . 2 . 3]" 1
358 1 22 GLU H 1 22 GLU HG3 . . 4.200 2.235 2.084 2.476 . 0 0 "[ . 1 . 2 . 3]" 1
359 1 22 GLU H 1 25 ILE HB . . 5.200 4.911 4.796 4.951 . 0 0 "[ . 1 . 2 . 3]" 1
360 1 22 GLU H 1 25 ILE MG . . 7.000 5.862 5.791 5.887 . 0 0 "[ . 1 . 2 . 3]" 1
361 1 22 GLU H 1 36 VAL MG1 . . 5.900 4.868 4.476 4.942 . 0 0 "[ . 1 . 2 . 3]" 1
362 1 22 GLU H 1 36 VAL QG . . 5.100 3.528 3.232 3.767 . 0 0 "[ . 1 . 2 . 3]" 1
363 1 22 GLU H 1 36 VAL MG2 . . 5.900 3.625 3.278 3.908 . 0 0 "[ . 1 . 2 . 3]" 1
364 1 22 GLU HA 1 22 GLU HG2 . . 3.600 2.430 2.273 2.682 . 0 0 "[ . 1 . 2 . 3]" 1
365 1 22 GLU HA 1 22 GLU QG . . 3.340 2.329 2.226 2.432 . 0 0 "[ . 1 . 2 . 3]" 1
366 1 22 GLU HA 1 22 GLU HG3 . . 3.600 3.063 2.767 3.358 . 0 0 "[ . 1 . 2 . 3]" 1
367 1 22 GLU HA 1 25 ILE MG . . 4.800 3.921 3.687 4.018 . 0 0 "[ . 1 . 2 . 3]" 1
368 1 22 GLU HA 1 34 ILE MD . . 4.100 2.132 2.033 2.387 . 0 0 "[ . 1 . 2 . 3]" 1
369 1 22 GLU HA 1 34 ILE QG . . 6.680 2.864 2.469 3.342 . 0 0 "[ . 1 . 2 . 3]" 1
370 1 22 GLU HA 1 34 ILE MG . . 3.800 2.085 1.919 2.433 . 0 0 "[ . 1 . 2 . 3]" 1
371 1 22 GLU QB 1 23 GLY H . . 3.600 2.075 1.991 2.131 . 0 0 "[ . 1 . 2 . 3]" 1
372 1 22 GLU QB 1 24 LYS H . . 5.280 4.661 4.562 4.715 . 0 0 "[ . 1 . 2 . 3]" 1
373 1 22 GLU QB 1 34 ILE MG . . 5.600 2.122 1.965 2.253 . 0 0 "[ . 1 . 2 . 3]" 1
374 1 22 GLU HB2 1 23 GLY H . . 3.900 2.111 2.025 2.171 . 0 0 "[ . 1 . 2 . 3]" 1
375 1 22 GLU HB2 1 34 ILE MG . . 6.100 3.545 3.377 3.657 . 0 0 "[ . 1 . 2 . 3]" 1
376 1 22 GLU HB3 1 23 GLY H . . 3.900 3.066 2.901 3.176 . 0 0 "[ . 1 . 2 . 3]" 1
377 1 22 GLU HB3 1 34 ILE MG . . 6.100 2.138 1.978 2.277 . 0 0 "[ . 1 . 2 . 3]" 1
378 1 22 GLU QG 1 34 ILE QG . . 4.440 2.149 2.038 2.257 . 0 0 "[ . 1 . 2 . 3]" 1
379 1 22 GLU QG 1 34 ILE MG . . 5.080 2.687 2.338 3.181 . 0 0 "[ . 1 . 2 . 3]" 1
380 1 22 GLU HG2 1 34 ILE HG12 . . 5.550 2.174 2.069 2.286 . 0 0 "[ . 1 . 2 . 3]" 1
381 1 22 GLU HG2 1 34 ILE HG13 . . 5.550 3.847 3.608 4.034 . 0 0 "[ . 1 . 2 . 3]" 1
382 1 22 GLU HG3 1 34 ILE HG12 . . 5.550 3.798 3.085 3.952 . 0 0 "[ . 1 . 2 . 3]" 1
383 1 22 GLU HG3 1 34 ILE HG13 . . 5.550 5.422 4.719 5.569 0.019 20 0 "[ . 1 . 2 . 3]" 1
384 1 23 GLY H 1 24 LYS H . . 4.000 3.065 3.010 3.158 . 0 0 "[ . 1 . 2 . 3]" 1
385 1 23 GLY H 1 34 ILE MG . . 4.800 4.093 4.069 4.119 . 0 0 "[ . 1 . 2 . 3]" 1
386 1 24 LYS H 1 24 LYS HB2 . . 3.300 2.485 2.324 2.690 . 0 0 "[ . 1 . 2 . 3]" 1
387 1 24 LYS H 1 24 LYS QB . . 3.080 2.234 2.168 2.282 . 0 0 "[ . 1 . 2 . 3]" 1
388 1 24 LYS H 1 24 LYS HB3 . . 3.300 2.545 2.402 2.736 . 0 0 "[ . 1 . 2 . 3]" 1
389 1 24 LYS H 1 24 LYS HG2 . . 4.800 4.518 4.383 4.651 . 0 0 "[ . 1 . 2 . 3]" 1
390 1 24 LYS H 1 24 LYS HG3 . . 4.800 4.482 4.390 4.573 . 0 0 "[ . 1 . 2 . 3]" 1
391 1 24 LYS H 1 25 ILE H . . 3.100 2.840 2.758 2.934 . 0 0 "[ . 1 . 2 . 3]" 1
392 1 24 LYS H 1 25 ILE HA . . 5.500 5.413 5.341 5.498 . 0 0 "[ . 1 . 2 . 3]" 1
393 1 24 LYS H 1 25 ILE HB . . 4.900 4.691 4.494 4.777 . 0 0 "[ . 1 . 2 . 3]" 1
394 1 24 LYS H 1 26 GLY H . . 4.400 4.014 3.934 4.119 . 0 0 "[ . 1 . 2 . 3]" 1
395 1 24 LYS HA 1 24 LYS QD . . 5.100 3.399 2.149 4.078 . 0 0 "[ . 1 . 2 . 3]" 1
396 1 24 LYS HA 1 24 LYS QE . . 6.300 3.956 2.145 5.070 . 0 0 "[ . 1 . 2 . 3]" 1
397 1 24 LYS HA 1 24 LYS HG2 . . 4.000 3.323 2.350 3.888 . 0 0 "[ . 1 . 2 . 3]" 1
398 1 24 LYS HA 1 24 LYS HG3 . . 4.000 2.803 2.295 3.543 . 0 0 "[ . 1 . 2 . 3]" 1
399 1 24 LYS HA 1 27 LYS H . . 5.800 3.827 3.531 4.025 . 0 0 "[ . 1 . 2 . 3]" 1
400 1 24 LYS QE 1 25 ILE HA . . 7.000 5.272 4.190 6.239 . 0 0 "[ . 1 . 2 . 3]" 1
401 1 24 LYS QG 1 27 LYS H . . 5.880 4.554 4.327 5.037 . 0 0 "[ . 1 . 2 . 3]" 1
402 1 25 ILE H 1 25 ILE HB . . 3.000 2.207 2.178 2.246 . 0 0 "[ . 1 . 2 . 3]" 1
403 1 25 ILE H 1 25 ILE MD . . 4.200 3.355 2.024 3.540 . 0 0 "[ . 1 . 2 . 3]" 1
404 1 25 ILE H 1 25 ILE HG12 . . 3.900 2.392 2.182 3.294 . 0 0 "[ . 1 . 2 . 3]" 1
405 1 25 ILE H 1 25 ILE QG . . 3.410 2.349 2.154 3.100 . 0 0 "[ . 1 . 2 . 3]" 1
406 1 25 ILE H 1 25 ILE HG13 . . 3.900 3.541 3.318 3.853 . 0 0 "[ . 1 . 2 . 3]" 1
407 1 25 ILE H 1 25 ILE MG . . 4.300 3.612 3.582 3.622 . 0 0 "[ . 1 . 2 . 3]" 1
408 1 25 ILE H 1 26 GLY H . . 3.400 2.684 2.620 2.777 . 0 0 "[ . 1 . 2 . 3]" 1
409 1 25 ILE H 1 34 ILE MD . . 5.800 4.040 3.853 4.268 . 0 0 "[ . 1 . 2 . 3]" 1
410 1 25 ILE HA 1 25 ILE MD . . 3.400 2.100 2.026 2.240 . 0 0 "[ . 1 . 2 . 3]" 1
411 1 25 ILE HA 1 25 ILE HG12 . . 4.100 3.041 2.841 3.838 . 0 0 "[ . 1 . 2 . 3]" 1
412 1 25 ILE HA 1 25 ILE QG . . 3.620 2.856 2.766 2.930 . 0 0 "[ . 1 . 2 . 3]" 1
413 1 25 ILE HA 1 25 ILE HG13 . . 4.100 3.693 2.890 3.834 . 0 0 "[ . 1 . 2 . 3]" 1
414 1 25 ILE HA 1 25 ILE MG . . 3.700 2.586 2.471 2.650 . 0 0 "[ . 1 . 2 . 3]" 1
415 1 25 ILE HA 1 28 LEU H . . 4.800 3.187 3.034 3.333 . 0 0 "[ . 1 . 2 . 3]" 1
416 1 25 ILE HA 1 28 LEU HA . . 5.000 4.989 4.832 5.070 0.070 10 0 "[ . 1 . 2 . 3]" 1
417 1 25 ILE HA 1 28 LEU MD1 . . 4.800 3.739 3.520 3.999 . 0 0 "[ . 1 . 2 . 3]" 1
418 1 25 ILE HA 1 28 LEU QD . . 4.380 2.415 2.134 3.035 . 0 0 "[ . 1 . 2 . 3]" 1
419 1 25 ILE HA 1 28 LEU MD2 . . 4.800 2.452 2.152 3.158 . 0 0 "[ . 1 . 2 . 3]" 1
420 1 25 ILE HA 1 28 LEU HG . . 3.800 2.200 2.130 2.356 . 0 0 "[ . 1 . 2 . 3]" 1
421 1 25 ILE HA 1 34 ILE MD . . 6.600 4.733 4.582 4.859 . 0 0 "[ . 1 . 2 . 3]" 1
422 1 25 ILE HB 1 25 ILE MD . . 3.700 3.141 2.812 3.184 . 0 0 "[ . 1 . 2 . 3]" 1
423 1 25 ILE HB 1 25 ILE QG . . 2.640 2.144 2.110 2.220 . 0 0 "[ . 1 . 2 . 3]" 1
424 1 25 ILE HB 1 26 GLY H . . 3.700 2.894 2.586 3.105 . 0 0 "[ . 1 . 2 . 3]" 1
425 1 25 ILE HB 1 34 ILE MD . . 4.600 2.305 2.181 2.586 . 0 0 "[ . 1 . 2 . 3]" 1
426 1 25 ILE MD 1 26 GLY H . . 5.900 4.746 4.186 4.864 . 0 0 "[ . 1 . 2 . 3]" 1
427 1 25 ILE QG 1 26 GLY H . . 4.990 4.307 4.177 4.459 . 0 0 "[ . 1 . 2 . 3]" 1
428 1 25 ILE HG12 1 26 GLY H . . 5.500 4.610 4.496 4.857 . 0 0 "[ . 1 . 2 . 3]" 1
429 1 25 ILE HG13 1 26 GLY H . . 5.500 5.174 4.946 5.325 . 0 0 "[ . 1 . 2 . 3]" 1
430 1 25 ILE MG 1 26 GLY H . . 5.100 3.343 3.106 3.559 . 0 0 "[ . 1 . 2 . 3]" 1
431 1 25 ILE MG 1 26 GLY HA2 . . 7.000 3.659 3.372 3.833 . 0 0 "[ . 1 . 2 . 3]" 1
432 1 25 ILE MG 1 26 GLY HA3 . . 7.000 4.545 4.249 4.737 . 0 0 "[ . 1 . 2 . 3]" 1
433 1 26 GLY H 1 27 LYS H . . 3.700 2.996 2.907 3.065 . 0 0 "[ . 1 . 2 . 3]" 1
434 1 26 GLY H 1 28 LEU H . . 5.400 4.306 4.236 4.370 . 0 0 "[ . 1 . 2 . 3]" 1
435 1 26 GLY H 1 34 ILE MG . . 5.600 3.254 2.849 3.687 . 0 0 "[ . 1 . 2 . 3]" 1
436 1 26 GLY QA 1 31 VAL HB . . 5.360 3.756 3.527 4.056 . 0 0 "[ . 1 . 2 . 3]" 1
437 1 26 GLY QA 1 31 VAL QG . . 6.810 2.309 2.081 2.698 . 0 0 "[ . 1 . 2 . 3]" 1
438 1 26 GLY QA 1 34 ILE MG . . 6.080 3.254 2.834 3.651 . 0 0 "[ . 1 . 2 . 3]" 1
439 1 26 GLY HA2 1 31 VAL HB . . 6.000 3.827 3.587 4.143 . 0 0 "[ . 1 . 2 . 3]" 1
440 1 26 GLY HA2 1 31 VAL MG1 . . 8.720 2.340 2.103 2.751 . 0 0 "[ . 1 . 2 . 3]" 1
441 1 26 GLY HA2 1 31 VAL MG2 . . 8.720 4.383 4.131 4.752 . 0 0 "[ . 1 . 2 . 3]" 1
442 1 26 GLY HA3 1 31 VAL HB . . 6.000 5.465 5.204 5.776 . 0 0 "[ . 1 . 2 . 3]" 1
443 1 26 GLY HA3 1 31 VAL MG1 . . 8.720 3.799 3.541 4.210 . 0 0 "[ . 1 . 2 . 3]" 1
444 1 26 GLY HA3 1 31 VAL MG2 . . 8.720 5.742 5.385 6.094 . 0 0 "[ . 1 . 2 . 3]" 1
445 1 27 LYS H 1 27 LYS HB2 . . 3.400 2.353 2.134 3.284 . 0 0 "[ . 1 . 2 . 3]" 1
446 1 27 LYS H 1 27 LYS HB3 . . 3.400 3.225 2.176 3.481 0.081 30 0 "[ . 1 . 2 . 3]" 1
447 1 27 LYS H 1 27 LYS QD . . 5.200 4.311 4.013 4.603 . 0 0 "[ . 1 . 2 . 3]" 1
448 1 27 LYS H 1 27 LYS HG2 . . 4.600 3.728 2.978 4.520 . 0 0 "[ . 1 . 2 . 3]" 1
449 1 27 LYS H 1 27 LYS QG . . 4.080 3.226 2.836 3.754 . 0 0 "[ . 1 . 2 . 3]" 1
450 1 27 LYS H 1 27 LYS HG3 . . 4.600 3.769 2.920 4.557 . 0 0 "[ . 1 . 2 . 3]" 1
451 1 27 LYS H 1 28 LEU H . . 3.000 2.327 2.208 2.409 . 0 0 "[ . 1 . 2 . 3]" 1
452 1 27 LYS H 1 28 LEU HA . . 4.600 4.650 4.627 4.671 0.071 20 0 "[ . 1 . 2 . 3]" 1
453 1 27 LYS H 1 28 LEU QD . . 6.970 2.859 2.677 3.191 . 0 0 "[ . 1 . 2 . 3]" 1
454 1 27 LYS H 1 28 LEU HG . . 4.600 4.600 4.518 4.633 0.033 4 0 "[ . 1 . 2 . 3]" 1
455 1 27 LYS HA 1 27 LYS HB2 . . 3.000 2.871 2.210 3.026 0.026 30 0 "[ . 1 . 2 . 3]" 1
456 1 27 LYS HA 1 27 LYS HB3 . . 3.000 2.711 2.515 3.029 0.029 23 0 "[ . 1 . 2 . 3]" 1
457 1 27 LYS HA 1 27 LYS QD . . 4.900 3.222 2.124 4.371 . 0 0 "[ . 1 . 2 . 3]" 1
458 1 27 LYS HA 1 27 LYS HG2 . . 3.500 2.558 2.256 3.545 0.045 20 0 "[ . 1 . 2 . 3]" 1
459 1 27 LYS HA 1 27 LYS HG3 . . 3.500 3.130 2.366 3.569 0.069 16 0 "[ . 1 . 2 . 3]" 1
460 1 27 LYS QB 1 28 LEU H . . 4.280 3.329 3.108 3.561 . 0 0 "[ . 1 . 2 . 3]" 1
461 1 27 LYS HB2 1 28 LEU H . . 4.700 3.719 3.341 4.638 . 0 0 "[ . 1 . 2 . 3]" 1
462 1 27 LYS HB3 1 28 LEU H . . 4.700 3.890 3.331 4.118 . 0 0 "[ . 1 . 2 . 3]" 1
463 1 28 LEU H 1 28 LEU HB2 . . 3.800 2.374 2.289 2.411 . 0 0 "[ . 1 . 2 . 3]" 1
464 1 28 LEU H 1 28 LEU QB . . 3.450 2.337 2.259 2.371 . 0 0 "[ . 1 . 2 . 3]" 1
465 1 28 LEU H 1 28 LEU HB3 . . 3.800 3.500 3.467 3.521 . 0 0 "[ . 1 . 2 . 3]" 1
466 1 28 LEU H 1 28 LEU MD1 . . 4.700 3.996 3.969 4.026 . 0 0 "[ . 1 . 2 . 3]" 1
467 1 28 LEU H 1 28 LEU MD2 . . 4.700 2.103 2.038 2.245 . 0 0 "[ . 1 . 2 . 3]" 1
468 1 28 LEU H 1 28 LEU HG . . 3.100 3.100 3.052 3.159 0.059 7 0 "[ . 1 . 2 . 3]" 1
469 1 28 LEU H 1 29 GLN H . . 4.700 4.496 4.423 4.567 . 0 0 "[ . 1 . 2 . 3]" 1
470 1 28 LEU H 1 31 VAL H . . 5.300 4.864 4.594 5.133 . 0 0 "[ . 1 . 2 . 3]" 1
471 1 28 LEU H 1 31 VAL HB . . 4.100 3.621 3.309 3.992 . 0 0 "[ . 1 . 2 . 3]" 1
472 1 28 LEU H 1 31 VAL MG1 . . 7.000 4.040 3.823 4.281 . 0 0 "[ . 1 . 2 . 3]" 1
473 1 28 LEU H 1 31 VAL QG . . 6.670 3.617 3.413 3.952 . 0 0 "[ . 1 . 2 . 3]" 1
474 1 28 LEU H 1 31 VAL MG2 . . 7.000 4.095 3.778 4.640 . 0 0 "[ . 1 . 2 . 3]" 1
475 1 28 LEU HA 1 28 LEU MD1 . . 3.500 2.854 2.607 2.924 . 0 0 "[ . 1 . 2 . 3]" 1
476 1 28 LEU HA 1 28 LEU MD2 . . 3.500 2.087 2.032 2.111 . 0 0 "[ . 1 . 2 . 3]" 1
477 1 28 LEU HA 1 28 LEU HG . . 4.200 3.731 3.635 3.775 . 0 0 "[ . 1 . 2 . 3]" 1
478 1 28 LEU HA 1 29 GLN H . . 2.600 2.103 2.030 2.195 . 0 0 "[ . 1 . 2 . 3]" 1
479 1 28 LEU HA 1 30 GLY H . . 5.900 5.618 5.432 5.785 . 0 0 "[ . 1 . 2 . 3]" 1
480 1 28 LEU QB 1 29 GLN H . . 3.650 2.871 2.800 2.925 . 0 0 "[ . 1 . 2 . 3]" 1
481 1 28 LEU QB 1 31 VAL H . . 5.280 3.507 3.173 3.848 . 0 0 "[ . 1 . 2 . 3]" 1
482 1 28 LEU QB 1 31 VAL HB . . 6.880 2.794 2.403 3.204 . 0 0 "[ . 1 . 2 . 3]" 1
483 1 28 LEU QB 1 31 VAL QG . . 7.240 2.491 2.194 3.137 . 0 0 "[ . 1 . 2 . 3]" 1
484 1 28 LEU HB2 1 28 LEU MD1 . . 3.600 2.931 2.875 3.004 . 0 0 "[ . 1 . 2 . 3]" 1
485 1 28 LEU HB2 1 28 LEU MD2 . . 3.600 3.018 2.982 3.037 . 0 0 "[ . 1 . 2 . 3]" 1
486 1 28 LEU HB2 1 29 GLN H . . 4.000 4.036 4.014 4.062 0.062 24 0 "[ . 1 . 2 . 3]" 1
487 1 28 LEU HB3 1 28 LEU MD1 . . 3.600 2.044 2.015 2.065 . 0 0 "[ . 1 . 2 . 3]" 1
488 1 28 LEU HB3 1 28 LEU MD2 . . 3.600 3.054 3.040 3.090 . 0 0 "[ . 1 . 2 . 3]" 1
489 1 28 LEU HB3 1 29 GLN H . . 4.000 2.939 2.857 2.999 . 0 0 "[ . 1 . 2 . 3]" 1
490 1 28 LEU QD 1 29 GLN H . . 4.450 3.262 3.044 3.328 . 0 0 "[ . 1 . 2 . 3]" 1
491 1 28 LEU QD 1 60 GLN QB . . 6.360 2.975 2.324 3.645 . 0 0 "[ . 1 . 2 . 3]" 1
492 1 28 LEU MD1 1 29 GLN H . . 5.100 3.571 3.218 3.697 . 0 0 "[ . 1 . 2 . 3]" 1
493 1 28 LEU MD1 1 60 GLN HB2 . . 8.040 3.523 2.639 4.340 . 0 0 "[ . 1 . 2 . 3]" 1
494 1 28 LEU MD1 1 60 GLN HB3 . . 8.040 3.328 2.473 4.146 . 0 0 "[ . 1 . 2 . 3]" 1
495 1 28 LEU MD2 1 29 GLN H . . 5.100 3.778 3.618 3.882 . 0 0 "[ . 1 . 2 . 3]" 1
496 1 28 LEU MD2 1 60 GLN HB2 . . 8.040 5.068 3.913 5.860 . 0 0 "[ . 1 . 2 . 3]" 1
497 1 28 LEU MD2 1 60 GLN HB3 . . 8.040 4.819 3.587 6.165 . 0 0 "[ . 1 . 2 . 3]" 1
498 1 29 GLN H 1 29 GLN QB . . 3.700 2.406 2.159 2.526 . 0 0 "[ . 1 . 2 . 3]" 1
499 1 29 GLN H 1 29 GLN HG2 . . 5.000 2.381 2.060 4.649 . 0 0 "[ . 1 . 2 . 3]" 1
500 1 29 GLN H 1 29 GLN QG . . 4.820 2.309 2.046 4.085 . 0 0 "[ . 1 . 2 . 3]" 1
501 1 29 GLN H 1 29 GLN HG3 . . 5.000 3.691 3.517 4.533 . 0 0 "[ . 1 . 2 . 3]" 1
502 1 29 GLN HA 1 29 GLN HG2 . . 4.000 3.601 3.550 3.646 . 0 0 "[ . 1 . 2 . 3]" 1
503 1 29 GLN HA 1 29 GLN QG . . 3.650 3.231 2.395 3.320 . 0 0 "[ . 1 . 2 . 3]" 1
504 1 29 GLN HA 1 29 GLN HG3 . . 4.000 3.747 2.431 3.992 . 0 0 "[ . 1 . 2 . 3]" 1
505 1 29 GLN HA 1 30 GLY H . . 2.600 2.185 2.169 2.207 . 0 0 "[ . 1 . 2 . 3]" 1
506 1 29 GLN HA 1 30 GLY QA . . 5.880 3.938 3.914 3.979 . 0 0 "[ . 1 . 2 . 3]" 1
507 1 29 GLN HA 1 31 VAL H . . 3.900 3.849 3.645 3.921 0.021 24 0 "[ . 1 . 2 . 3]" 1
508 1 29 GLN HA 1 51 LEU QD . . 8.170 3.269 3.023 3.804 . 0 0 "[ . 1 . 2 . 3]" 1
509 1 29 GLN QB 1 30 GLY QA . . 7.280 4.206 4.110 4.330 . 0 0 "[ . 1 . 2 . 3]" 1
510 1 29 GLN QB 1 31 VAL H . . 6.200 5.135 4.997 5.221 . 0 0 "[ . 1 . 2 . 3]" 1
511 1 29 GLN QG 1 52 ILE H . . 6.880 5.012 4.679 5.837 . 0 0 "[ . 1 . 2 . 3]" 1
512 1 29 GLN HG2 1 30 GLY H . . 5.400 4.854 4.739 4.954 . 0 0 "[ . 1 . 2 . 3]" 1
513 1 29 GLN HG3 1 30 GLY H . . 5.400 4.678 3.144 5.013 . 0 0 "[ . 1 . 2 . 3]" 1
514 1 30 GLY H 1 31 VAL H . . 3.200 2.493 2.425 2.564 . 0 0 "[ . 1 . 2 . 3]" 1
515 1 30 GLY H 1 31 VAL HB . . 4.400 4.418 4.401 4.435 0.035 14 0 "[ . 1 . 2 . 3]" 1
516 1 30 GLY H 1 31 VAL QG . . 7.460 4.429 4.305 4.564 . 0 0 "[ . 1 . 2 . 3]" 1
517 1 30 GLY H 1 51 LEU QD . . 7.270 2.754 2.638 2.919 . 0 0 "[ . 1 . 2 . 3]" 1
518 1 30 GLY H 1 51 LEU HG . . 5.500 5.504 5.420 5.527 0.027 25 0 "[ . 1 . 2 . 3]" 1
519 1 30 GLY H 1 52 ILE MG . . 7.000 5.661 5.388 5.831 . 0 0 "[ . 1 . 2 . 3]" 1
520 1 30 GLY QA 1 48 GLN H . . 5.480 3.442 3.258 3.665 . 0 0 "[ . 1 . 2 . 3]" 1
521 1 30 GLY QA 1 51 LEU QB . . 3.770 2.023 1.970 2.095 . 0 0 "[ . 1 . 2 . 3]" 1
522 1 30 GLY QA 1 51 LEU QD . . 6.620 2.167 2.044 2.288 . 0 0 "[ . 1 . 2 . 3]" 1
523 1 30 GLY QA 1 52 ILE HB . . 6.680 2.933 2.589 3.079 . 0 0 "[ . 1 . 2 . 3]" 1
524 1 30 GLY QA 1 52 ILE QG . . 7.750 4.597 4.332 4.785 . 0 0 "[ . 1 . 2 . 3]" 1
525 1 30 GLY QA 1 52 ILE MG . . 5.330 3.108 2.869 3.295 . 0 0 "[ . 1 . 2 . 3]" 1
526 1 30 GLY HA2 1 51 LEU HB2 . . 4.500 2.301 2.186 2.386 . 0 0 "[ . 1 . 2 . 3]" 1
527 1 30 GLY HA2 1 51 LEU HB3 . . 4.500 3.443 3.067 3.657 . 0 0 "[ . 1 . 2 . 3]" 1
528 1 30 GLY HA2 1 51 LEU MD1 . . 8.540 2.224 2.106 2.444 . 0 0 "[ . 1 . 2 . 3]" 1
529 1 30 GLY HA2 1 51 LEU MD2 . . 8.540 4.172 2.365 4.661 . 0 0 "[ . 1 . 2 . 3]" 1
530 1 30 GLY HA2 1 52 ILE MG . . 5.600 4.423 4.125 4.659 . 0 0 "[ . 1 . 2 . 3]" 1
531 1 30 GLY HA3 1 51 LEU HB2 . . 4.500 2.324 2.222 2.442 . 0 0 "[ . 1 . 2 . 3]" 1
532 1 30 GLY HA3 1 51 LEU HB3 . . 4.500 3.299 3.000 3.722 . 0 0 "[ . 1 . 2 . 3]" 1
533 1 30 GLY HA3 1 51 LEU MD1 . . 8.540 3.395 3.277 3.527 . 0 0 "[ . 1 . 2 . 3]" 1
534 1 30 GLY HA3 1 51 LEU MD2 . . 8.540 4.693 3.529 5.082 . 0 0 "[ . 1 . 2 . 3]" 1
535 1 30 GLY HA3 1 52 ILE MG . . 5.600 3.175 2.922 3.369 . 0 0 "[ . 1 . 2 . 3]" 1
536 1 31 VAL H 1 31 VAL HB . . 2.800 2.118 2.080 2.161 . 0 0 "[ . 1 . 2 . 3]" 1
537 1 31 VAL H 1 31 VAL MG1 . . 4.200 3.558 3.532 3.579 . 0 0 "[ . 1 . 2 . 3]" 1
538 1 31 VAL H 1 31 VAL QG . . 3.690 2.593 2.399 2.770 . 0 0 "[ . 1 . 2 . 3]" 1
539 1 31 VAL H 1 31 VAL MG2 . . 4.200 2.667 2.438 2.895 . 0 0 "[ . 1 . 2 . 3]" 1
540 1 31 VAL H 1 52 ILE MG . . 6.900 5.027 4.747 5.201 . 0 0 "[ . 1 . 2 . 3]" 1
541 1 31 VAL HA 1 31 VAL MG1 . . 3.500 2.627 2.520 2.768 . 0 0 "[ . 1 . 2 . 3]" 1
542 1 31 VAL HA 1 31 VAL MG2 . . 3.500 2.249 2.080 2.317 . 0 0 "[ . 1 . 2 . 3]" 1
543 1 31 VAL HA 1 32 GLN H . . 2.700 2.132 2.093 2.242 . 0 0 "[ . 1 . 2 . 3]" 1
544 1 31 VAL HA 1 32 GLN HG2 . . 6.000 4.885 4.128 5.258 . 0 0 "[ . 1 . 2 . 3]" 1
545 1 31 VAL HA 1 32 GLN QG . . 5.840 4.622 3.996 4.943 . 0 0 "[ . 1 . 2 . 3]" 1
546 1 31 VAL HA 1 32 GLN HG3 . . 6.000 5.727 5.011 6.025 0.025 6 0 "[ . 1 . 2 . 3]" 1
547 1 31 VAL HA 1 33 ARG H . . 4.000 3.972 3.704 4.039 0.039 22 0 "[ . 1 . 2 . 3]" 1
548 1 31 VAL HA 1 46 VAL QG . . 8.260 4.308 4.058 4.503 . 0 0 "[ . 1 . 2 . 3]" 1
549 1 31 VAL HA 1 47 TYR HA . . 3.600 2.948 2.770 3.178 . 0 0 "[ . 1 . 2 . 3]" 1
550 1 31 VAL HA 1 47 TYR HB2 . . 4.400 3.029 2.811 3.247 . 0 0 "[ . 1 . 2 . 3]" 1
551 1 31 VAL HA 1 47 TYR HB3 . . 4.400 2.213 2.083 2.487 . 0 0 "[ . 1 . 2 . 3]" 1
552 1 31 VAL HA 1 48 GLN H . . 4.600 4.625 4.427 4.683 0.083 21 0 "[ . 1 . 2 . 3]" 1
553 1 31 VAL HA 1 52 ILE MG . . 7.000 4.872 4.640 5.114 . 0 0 "[ . 1 . 2 . 3]" 1
554 1 31 VAL QG 1 32 GLN H . . 4.590 2.615 2.462 2.778 . 0 0 "[ . 1 . 2 . 3]" 1
555 1 31 VAL QG 1 32 GLN QG . . 8.240 4.642 4.063 4.876 . 0 0 "[ . 1 . 2 . 3]" 1
556 1 31 VAL QG 1 33 ARG H . . 5.760 2.767 2.386 2.931 . 0 0 "[ . 1 . 2 . 3]" 1
557 1 31 VAL QG 1 33 ARG HA . . 7.760 3.427 3.011 3.821 . 0 0 "[ . 1 . 2 . 3]" 1
558 1 31 VAL QG 1 46 VAL H . . 6.960 3.315 3.096 3.542 . 0 0 "[ . 1 . 2 . 3]" 1
559 1 31 VAL QG 1 47 TYR HA . . 6.310 3.995 3.769 4.194 . 0 0 "[ . 1 . 2 . 3]" 1
560 1 31 VAL QG 1 47 TYR QB . . 6.830 2.373 2.160 2.579 . 0 0 "[ . 1 . 2 . 3]" 1
561 1 31 VAL QG 1 47 TYR QD . . 10.260 3.076 2.575 3.430 . 0 0 "[ . 1 . 2 . 3]" 1
562 1 31 VAL QG 1 47 TYR QE . . 10.560 4.456 3.995 4.934 . 0 0 "[ . 1 . 2 . 3]" 1
563 1 31 VAL MG1 1 32 GLN H . . 5.000 2.677 2.506 2.855 . 0 0 "[ . 1 . 2 . 3]" 1
564 1 31 VAL MG1 1 47 TYR HA . . 6.600 4.808 4.612 5.048 . 0 0 "[ . 1 . 2 . 3]" 1
565 1 31 VAL MG1 1 47 TYR HB2 . . 8.350 5.008 4.700 5.382 . 0 0 "[ . 1 . 2 . 3]" 1
566 1 31 VAL MG1 1 47 TYR HB3 . . 8.350 3.849 3.639 4.345 . 0 0 "[ . 1 . 2 . 3]" 1
567 1 31 VAL MG2 1 32 GLN H . . 5.000 3.679 3.421 3.890 . 0 0 "[ . 1 . 2 . 3]" 1
568 1 31 VAL MG2 1 47 TYR HA . . 6.600 4.273 3.954 4.532 . 0 0 "[ . 1 . 2 . 3]" 1
569 1 31 VAL MG2 1 47 TYR HB2 . . 8.350 3.337 3.065 3.598 . 0 0 "[ . 1 . 2 . 3]" 1
570 1 31 VAL MG2 1 47 TYR HB3 . . 8.350 2.464 2.212 2.704 . 0 0 "[ . 1 . 2 . 3]" 1
571 1 32 GLN H 1 32 GLN HB2 . . 3.800 2.361 2.121 3.837 0.037 17 0 "[ . 1 . 2 . 3]" 1
572 1 32 GLN H 1 32 GLN QB . . 3.550 2.279 2.098 3.031 . 0 0 "[ . 1 . 2 . 3]" 1
573 1 32 GLN H 1 32 GLN HB3 . . 3.800 3.393 3.160 3.661 . 0 0 "[ . 1 . 2 . 3]" 1
574 1 32 GLN H 1 32 GLN HG2 . . 4.400 3.632 2.329 3.995 . 0 0 "[ . 1 . 2 . 3]" 1
575 1 32 GLN H 1 32 GLN QG . . 4.210 3.423 2.273 3.707 . 0 0 "[ . 1 . 2 . 3]" 1
576 1 32 GLN H 1 32 GLN HG3 . . 4.400 4.200 2.975 4.412 0.012 29 0 "[ . 1 . 2 . 3]" 1
577 1 32 GLN H 1 33 ARG H . . 3.000 2.219 1.991 2.515 . 0 0 "[ . 1 . 2 . 3]" 1
578 1 32 GLN H 1 33 ARG HA . . 5.100 4.677 4.527 4.922 . 0 0 "[ . 1 . 2 . 3]" 1
579 1 32 GLN H 1 46 VAL HB . . 6.000 5.315 4.223 5.570 . 0 0 "[ . 1 . 2 . 3]" 1
580 1 32 GLN H 1 47 TYR HA . . 3.400 3.096 2.703 3.405 0.005 30 0 "[ . 1 . 2 . 3]" 1
581 1 32 GLN H 1 47 TYR QB . . 6.880 3.389 3.176 3.828 . 0 0 "[ . 1 . 2 . 3]" 1
582 1 32 GLN HA 1 32 GLN HB2 . . 2.800 2.841 2.328 2.908 0.108 14 0 "[ . 1 . 2 . 3]" 1
583 1 32 GLN HA 1 32 GLN HB3 . . 2.800 2.736 2.369 2.821 0.021 7 0 "[ . 1 . 2 . 3]" 1
584 1 32 GLN HA 1 32 GLN HG2 . . 3.800 2.433 2.166 3.820 0.020 24 0 "[ . 1 . 2 . 3]" 1
585 1 32 GLN HA 1 32 GLN HG3 . . 3.800 3.524 3.418 3.703 . 0 0 "[ . 1 . 2 . 3]" 1
586 1 32 GLN QB 1 33 ARG H . . 4.480 2.856 2.663 3.710 . 0 0 "[ . 1 . 2 . 3]" 1
587 1 32 GLN QB 1 47 TYR HA . . 5.680 3.445 2.863 4.756 . 0 0 "[ . 1 . 2 . 3]" 1
588 1 32 GLN QG 1 33 ARG H . . 6.680 4.411 2.305 4.629 . 0 0 "[ . 1 . 2 . 3]" 1
589 1 32 GLN QG 1 47 TYR HA . . 4.710 4.118 3.330 4.240 . 0 0 "[ . 1 . 2 . 3]" 1
590 1 32 GLN QG 1 47 TYR QB . . 7.750 5.204 4.498 5.415 . 0 0 "[ . 1 . 2 . 3]" 1
591 1 32 GLN HG2 1 47 TYR HA . . 5.400 4.609 3.377 5.239 . 0 0 "[ . 1 . 2 . 3]" 1
592 1 32 GLN HG3 1 47 TYR HA . . 5.400 4.720 4.240 5.063 . 0 0 "[ . 1 . 2 . 3]" 1
593 1 33 ARG H 1 33 ARG QB . . 3.900 2.783 2.618 2.875 . 0 0 "[ . 1 . 2 . 3]" 1
594 1 33 ARG H 1 33 ARG HG2 . . 5.300 5.008 4.485 5.200 . 0 0 "[ . 1 . 2 . 3]" 1
595 1 33 ARG H 1 33 ARG QG . . 5.130 4.278 4.041 4.406 . 0 0 "[ . 1 . 2 . 3]" 1
596 1 33 ARG H 1 33 ARG HG3 . . 5.300 4.655 4.254 4.802 . 0 0 "[ . 1 . 2 . 3]" 1
597 1 33 ARG H 1 34 ILE H . . 4.400 4.401 4.358 4.428 0.028 24 0 "[ . 1 . 2 . 3]" 1
598 1 33 ARG H 1 45 ILE MG . . 7.000 3.716 3.483 4.143 . 0 0 "[ . 1 . 2 . 3]" 1
599 1 33 ARG H 1 46 VAL H . . 3.700 2.894 2.737 3.413 . 0 0 "[ . 1 . 2 . 3]" 1
600 1 33 ARG H 1 46 VAL HB . . 4.100 4.052 2.873 4.200 0.100 13 0 "[ . 1 . 2 . 3]" 1
601 1 33 ARG H 1 46 VAL MG1 . . 5.200 1.886 1.778 2.410 . 0 0 "[ . 1 . 2 . 3]" 1
602 1 33 ARG H 1 46 VAL QG . . 4.700 1.883 1.777 2.398 . 0 0 "[ . 1 . 2 . 3]" 1
603 1 33 ARG H 1 46 VAL MG2 . . 5.200 4.215 3.981 4.372 . 0 0 "[ . 1 . 2 . 3]" 1
604 1 33 ARG H 1 47 TYR HA . . 5.300 4.833 4.393 5.121 . 0 0 "[ . 1 . 2 . 3]" 1
605 1 33 ARG HA 1 33 ARG HG2 . . 4.100 3.305 2.676 3.697 . 0 0 "[ . 1 . 2 . 3]" 1
606 1 33 ARG HA 1 33 ARG QG . . 3.850 2.291 2.116 2.591 . 0 0 "[ . 1 . 2 . 3]" 1
607 1 33 ARG HA 1 33 ARG HG3 . . 4.100 2.343 2.147 2.648 . 0 0 "[ . 1 . 2 . 3]" 1
608 1 33 ARG HA 1 34 ILE H . . 2.500 2.411 2.325 2.503 0.003 18 0 "[ . 1 . 2 . 3]" 1
609 1 33 ARG HA 1 34 ILE MG . . 5.100 3.402 3.162 3.571 . 0 0 "[ . 1 . 2 . 3]" 1
610 1 33 ARG QB 1 34 ILE HA . . 6.100 4.119 3.815 4.476 . 0 0 "[ . 1 . 2 . 3]" 1
611 1 33 ARG QB 1 46 VAL H . . 6.500 4.035 3.819 4.390 . 0 0 "[ . 1 . 2 . 3]" 1
612 1 33 ARG QB 1 46 VAL QG . . 7.460 2.105 1.949 2.549 . 0 0 "[ . 1 . 2 . 3]" 1
613 1 33 ARG QG 1 34 ILE H . . 5.320 2.241 1.973 2.868 . 0 0 "[ . 1 . 2 . 3]" 1
614 1 33 ARG QG 1 34 ILE MG . . 7.080 3.867 3.435 4.279 . 0 0 "[ . 1 . 2 . 3]" 1
615 1 33 ARG HG2 1 34 ILE H . . 6.000 2.967 2.131 3.787 . 0 0 "[ . 1 . 2 . 3]" 1
616 1 33 ARG HG3 1 34 ILE H . . 6.000 2.598 1.988 3.678 . 0 0 "[ . 1 . 2 . 3]" 1
617 1 34 ILE H 1 34 ILE MG . . 3.700 2.376 2.268 2.520 . 0 0 "[ . 1 . 2 . 3]" 1
618 1 34 ILE H 1 35 LYS H . . 4.600 4.277 4.208 4.355 . 0 0 "[ . 1 . 2 . 3]" 1
619 1 34 ILE HA 1 34 ILE HB . . 2.800 2.413 2.354 2.457 . 0 0 "[ . 1 . 2 . 3]" 1
620 1 34 ILE HA 1 34 ILE MD . . 4.500 3.589 3.404 3.752 . 0 0 "[ . 1 . 2 . 3]" 1
621 1 34 ILE HA 1 34 ILE HG12 . . 3.500 3.328 3.218 3.445 . 0 0 "[ . 1 . 2 . 3]" 1
622 1 34 ILE HA 1 34 ILE QG . . 3.240 2.323 2.244 2.427 . 0 0 "[ . 1 . 2 . 3]" 1
623 1 34 ILE HA 1 34 ILE HG13 . . 3.500 2.372 2.288 2.481 . 0 0 "[ . 1 . 2 . 3]" 1
624 1 34 ILE HA 1 35 LYS H . . 2.800 2.215 2.156 2.301 . 0 0 "[ . 1 . 2 . 3]" 1
625 1 34 ILE HA 1 45 ILE HA . . 3.400 2.157 2.096 2.289 . 0 0 "[ . 1 . 2 . 3]" 1
626 1 34 ILE HA 1 45 ILE QG . . 6.680 3.136 2.377 4.177 . 0 0 "[ . 1 . 2 . 3]" 1
627 1 34 ILE HA 1 45 ILE MG . . 6.500 3.038 2.465 3.570 . 0 0 "[ . 1 . 2 . 3]" 1
628 1 34 ILE HA 1 46 VAL H . . 4.400 3.613 3.232 3.894 . 0 0 "[ . 1 . 2 . 3]" 1
629 1 34 ILE HB 1 34 ILE MD . . 3.500 2.306 2.189 2.402 . 0 0 "[ . 1 . 2 . 3]" 1
630 1 34 ILE HB 1 35 LYS H . . 4.100 4.061 3.938 4.116 0.016 17 0 "[ . 1 . 2 . 3]" 1
631 1 34 ILE HB 1 45 ILE HA . . 4.700 3.542 2.959 3.928 . 0 0 "[ . 1 . 2 . 3]" 1
632 1 34 ILE MD 1 35 LYS H . . 5.700 3.985 3.786 4.141 . 0 0 "[ . 1 . 2 . 3]" 1
633 1 34 ILE QG 1 45 ILE HA . . 5.360 3.202 2.483 3.691 . 0 0 "[ . 1 . 2 . 3]" 1
634 1 34 ILE HG12 1 35 LYS H . . 4.500 3.032 2.569 3.413 . 0 0 "[ . 1 . 2 . 3]" 1
635 1 34 ILE HG12 1 45 ILE HA . . 6.000 4.821 4.168 5.281 . 0 0 "[ . 1 . 2 . 3]" 1
636 1 34 ILE HG13 1 35 LYS H . . 4.500 2.326 2.174 2.496 . 0 0 "[ . 1 . 2 . 3]" 1
637 1 34 ILE HG13 1 45 ILE HA . . 6.000 3.252 2.502 3.774 . 0 0 "[ . 1 . 2 . 3]" 1
638 1 34 ILE MG 1 35 LYS H . . 5.700 3.994 3.804 4.169 . 0 0 "[ . 1 . 2 . 3]" 1
639 1 35 LYS H 1 35 LYS HB2 . . 3.800 2.838 2.584 3.860 0.060 22 0 "[ . 1 . 2 . 3]" 1
640 1 35 LYS H 1 35 LYS QB . . 3.600 2.656 2.426 3.208 . 0 0 "[ . 1 . 2 . 3]" 1
641 1 35 LYS H 1 35 LYS HB3 . . 3.800 3.593 2.494 3.826 0.026 7 0 "[ . 1 . 2 . 3]" 1
642 1 35 LYS H 1 35 LYS HD2 . . 4.400 3.735 3.143 4.440 0.040 27 0 "[ . 1 . 2 . 3]" 1
643 1 35 LYS H 1 35 LYS HD3 . . 4.400 3.749 2.554 4.423 0.023 4 0 "[ . 1 . 2 . 3]" 1
644 1 35 LYS H 1 36 VAL QG . . 6.660 3.655 3.380 3.856 . 0 0 "[ . 1 . 2 . 3]" 1
645 1 35 LYS H 1 43 ALA MB . . 7.000 4.051 3.491 4.592 . 0 0 "[ . 1 . 2 . 3]" 1
646 1 35 LYS H 1 44 THR H . . 4.000 3.016 2.823 3.339 . 0 0 "[ . 1 . 2 . 3]" 1
647 1 35 LYS H 1 44 THR HB . . 5.300 3.830 3.225 4.916 . 0 0 "[ . 1 . 2 . 3]" 1
648 1 35 LYS H 1 44 THR MG . . 7.000 4.034 3.495 4.436 . 0 0 "[ . 1 . 2 . 3]" 1
649 1 35 LYS H 1 45 ILE HG12 . . 6.000 4.132 3.331 5.385 . 0 0 "[ . 1 . 2 . 3]" 1
650 1 35 LYS H 1 45 ILE QG . . 5.150 3.525 2.896 4.491 . 0 0 "[ . 1 . 2 . 3]" 1
651 1 35 LYS H 1 45 ILE HG13 . . 6.000 4.082 3.038 5.575 . 0 0 "[ . 1 . 2 . 3]" 1
652 1 35 LYS HA 1 35 LYS QE . . 5.500 4.623 4.059 4.967 . 0 0 "[ . 1 . 2 . 3]" 1
653 1 35 LYS HA 1 36 VAL H . . 2.900 2.260 2.154 2.311 . 0 0 "[ . 1 . 2 . 3]" 1
654 1 35 LYS QB 1 36 VAL H . . 5.680 3.607 3.262 4.038 . 0 0 "[ . 1 . 2 . 3]" 1
655 1 35 LYS QB 1 44 THR HB . . 6.180 2.629 2.206 4.434 . 0 0 "[ . 1 . 2 . 3]" 1
656 1 35 LYS QD 1 36 VAL H . . 6.580 5.028 3.844 5.883 . 0 0 "[ . 1 . 2 . 3]" 1
657 1 35 LYS QD 1 44 THR H . . 6.880 4.613 2.406 5.635 . 0 0 "[ . 1 . 2 . 3]" 1
658 1 35 LYS QG 1 36 VAL H . . 7.000 4.301 3.204 5.012 . 0 0 "[ . 1 . 2 . 3]" 1
659 1 35 LYS QG 1 44 THR HB . . 7.000 4.184 2.137 5.532 . 0 0 "[ . 1 . 2 . 3]" 1
660 1 36 VAL H 1 36 VAL HB . . 3.400 2.481 2.378 2.703 . 0 0 "[ . 1 . 2 . 3]" 1
661 1 36 VAL HA 1 36 VAL MG1 . . 3.700 2.443 2.352 2.529 . 0 0 "[ . 1 . 2 . 3]" 1
662 1 36 VAL HA 1 36 VAL MG2 . . 3.700 2.398 2.292 2.530 . 0 0 "[ . 1 . 2 . 3]" 1
663 1 36 VAL HA 1 37 SER H . . 2.800 2.249 2.163 2.373 . 0 0 "[ . 1 . 2 . 3]" 1
664 1 36 VAL HA 1 37 SER HA . . 5.300 4.488 4.433 4.541 . 0 0 "[ . 1 . 2 . 3]" 1
665 1 36 VAL HA 1 43 ALA HA . . 3.200 2.340 2.240 2.480 . 0 0 "[ . 1 . 2 . 3]" 1
666 1 36 VAL HA 1 43 ALA MB . . 5.500 2.151 2.009 2.341 . 0 0 "[ . 1 . 2 . 3]" 1
667 1 36 VAL HA 1 44 THR H . . 4.100 3.427 3.028 3.654 . 0 0 "[ . 1 . 2 . 3]" 1
668 1 36 VAL QG 1 37 SER H . . 5.250 2.964 2.305 3.495 . 0 0 "[ . 1 . 2 . 3]" 1
669 1 36 VAL QG 1 43 ALA HA . . 4.540 3.389 3.369 3.410 . 0 0 "[ . 1 . 2 . 3]" 1
670 1 36 VAL QG 1 43 ALA MB . . 5.290 1.877 1.799 2.005 . 0 0 "[ . 1 . 2 . 3]" 1
671 1 36 VAL QG 1 44 THR H . . 6.310 3.831 3.629 4.086 . 0 0 "[ . 1 . 2 . 3]" 1
672 1 36 VAL MG1 1 37 SER H . . 6.300 3.044 2.320 3.685 . 0 0 "[ . 1 . 2 . 3]" 1
673 1 36 VAL MG1 1 43 ALA HA . . 4.900 3.832 3.725 3.957 . 0 0 "[ . 1 . 2 . 3]" 1
674 1 36 VAL MG1 1 43 ALA MB . . 6.300 2.212 2.007 2.354 . 0 0 "[ . 1 . 2 . 3]" 1
675 1 36 VAL MG1 1 44 THR H . . 6.600 5.133 4.841 5.326 . 0 0 "[ . 1 . 2 . 3]" 1
676 1 36 VAL MG2 1 37 SER H . . 6.300 4.160 3.930 4.378 . 0 0 "[ . 1 . 2 . 3]" 1
677 1 36 VAL MG2 1 43 ALA HA . . 4.900 3.784 3.668 3.872 . 0 0 "[ . 1 . 2 . 3]" 1
678 1 36 VAL MG2 1 43 ALA MB . . 6.300 2.036 1.931 2.184 . 0 0 "[ . 1 . 2 . 3]" 1
679 1 36 VAL MG2 1 44 THR H . . 6.600 3.957 3.706 4.272 . 0 0 "[ . 1 . 2 . 3]" 1
680 1 37 SER H 1 37 SER HB2 . . 3.200 2.573 2.109 3.177 . 0 0 "[ . 1 . 2 . 3]" 1
681 1 37 SER H 1 37 SER HB3 . . 3.200 2.894 2.439 3.353 0.153 24 0 "[ . 1 . 2 . 3]" 1
682 1 37 SER H 1 42 GLU H . . 4.500 4.038 2.995 4.528 0.028 28 0 "[ . 1 . 2 . 3]" 1
683 1 37 SER H 1 43 ALA HA . . 3.900 2.577 2.148 3.239 . 0 0 "[ . 1 . 2 . 3]" 1
684 1 37 SER HA 1 37 SER HB2 . . 3.000 2.708 2.413 3.034 0.034 13 0 "[ . 1 . 2 . 3]" 1
685 1 37 SER HA 1 37 SER HB3 . . 3.000 2.805 2.348 3.024 0.024 22 0 "[ . 1 . 2 . 3]" 1
686 1 37 SER HA 1 38 LEU H . . 3.300 2.328 2.148 2.539 . 0 0 "[ . 1 . 2 . 3]" 1
687 1 37 SER QB 1 40 ASN H . . 5.230 3.228 2.132 4.193 . 0 0 "[ . 1 . 2 . 3]" 1
688 1 37 SER QB 1 40 ASN QB . . 4.890 2.405 2.067 2.887 . 0 0 "[ . 1 . 2 . 3]" 1
689 1 37 SER QB 1 42 GLU H . . 6.280 3.192 2.245 3.633 . 0 0 "[ . 1 . 2 . 3]" 1
690 1 37 SER QB 1 42 GLU QB . . 6.270 3.440 2.366 4.081 . 0 0 "[ . 1 . 2 . 3]" 1
691 1 37 SER HB2 1 40 ASN H . . 6.000 4.364 3.318 5.634 . 0 0 "[ . 1 . 2 . 3]" 1
692 1 37 SER HB2 1 40 ASN HB2 . . 6.000 3.883 2.742 4.823 . 0 0 "[ . 1 . 2 . 3]" 1
693 1 37 SER HB2 1 40 ASN HB3 . . 6.000 3.697 2.461 4.516 . 0 0 "[ . 1 . 2 . 3]" 1
694 1 37 SER HB2 1 42 GLU HB2 . . 7.450 5.625 4.020 6.833 . 0 0 "[ . 1 . 2 . 3]" 1
695 1 37 SER HB2 1 42 GLU HB3 . . 7.450 4.402 2.420 5.886 . 0 0 "[ . 1 . 2 . 3]" 1
696 1 37 SER HB3 1 40 ASN H . . 6.000 3.336 2.150 4.325 . 0 0 "[ . 1 . 2 . 3]" 1
697 1 37 SER HB3 1 40 ASN HB2 . . 6.000 3.016 2.294 3.678 . 0 0 "[ . 1 . 2 . 3]" 1
698 1 37 SER HB3 1 40 ASN HB3 . . 6.000 2.846 2.278 4.130 . 0 0 "[ . 1 . 2 . 3]" 1
699 1 37 SER HB3 1 42 GLU HB2 . . 7.450 5.082 4.072 6.560 . 0 0 "[ . 1 . 2 . 3]" 1
700 1 37 SER HB3 1 42 GLU HB3 . . 7.450 4.151 3.075 6.085 . 0 0 "[ . 1 . 2 . 3]" 1
701 1 38 LEU H 1 38 LEU HB2 . . 4.100 2.238 2.000 2.858 . 0 0 "[ . 1 . 2 . 3]" 1
702 1 38 LEU H 1 38 LEU QB . . 3.850 2.138 1.975 2.637 . 0 0 "[ . 1 . 2 . 3]" 1
703 1 38 LEU H 1 38 LEU HB3 . . 4.100 3.101 2.035 3.715 . 0 0 "[ . 1 . 2 . 3]" 1
704 1 38 LEU H 1 38 LEU HG . . 4.200 3.931 2.468 4.283 0.083 8 0 "[ . 1 . 2 . 3]" 1
705 1 38 LEU H 1 39 ASP H . . 4.700 3.322 2.179 4.646 . 0 0 "[ . 1 . 2 . 3]" 1
706 1 38 LEU HA 1 38 LEU MD1 . . 4.600 3.209 2.291 3.834 . 0 0 "[ . 1 . 2 . 3]" 1
707 1 38 LEU HA 1 38 LEU QD . . 3.770 2.243 1.957 2.846 . 0 0 "[ . 1 . 2 . 3]" 1
708 1 38 LEU HA 1 38 LEU MD2 . . 4.600 2.363 2.024 3.822 . 0 0 "[ . 1 . 2 . 3]" 1
709 1 38 LEU HA 1 38 LEU HG . . 3.900 3.025 2.192 3.911 0.011 27 0 "[ . 1 . 2 . 3]" 1
710 1 38 LEU HA 1 41 GLN H . . 4.700 3.233 2.926 3.760 . 0 0 "[ . 1 . 2 . 3]" 1
711 1 38 LEU HA 1 41 GLN HA . . 4.500 3.267 2.865 4.141 . 0 0 "[ . 1 . 2 . 3]" 1
712 1 38 LEU QB 1 39 ASP H . . 4.140 2.532 2.052 3.081 . 0 0 "[ . 1 . 2 . 3]" 1
713 1 38 LEU HB2 1 39 ASP H . . 4.700 3.492 2.324 4.174 . 0 0 "[ . 1 . 2 . 3]" 1
714 1 38 LEU HB3 1 39 ASP H . . 4.700 2.674 2.074 3.173 . 0 0 "[ . 1 . 2 . 3]" 1
715 1 38 LEU MD1 1 39 ASP H . . 7.000 3.831 1.778 4.813 . 0 0 "[ . 1 . 2 . 3]" 1
716 1 38 LEU MD2 1 39 ASP H . . 7.000 3.864 1.763 4.798 . 0 0 "[ . 1 . 2 . 3]" 1
717 1 39 ASP H 1 39 ASP HB2 . . 4.100 2.992 2.619 3.659 . 0 0 "[ . 1 . 2 . 3]" 1
718 1 39 ASP H 1 39 ASP QB . . 3.710 2.860 2.559 3.395 . 0 0 "[ . 1 . 2 . 3]" 1
719 1 39 ASP H 1 39 ASP HB3 . . 4.100 3.687 3.513 4.076 . 0 0 "[ . 1 . 2 . 3]" 1
720 1 39 ASP H 1 40 ASN H . . 4.500 3.169 2.765 3.780 . 0 0 "[ . 1 . 2 . 3]" 1
721 1 39 ASP H 1 42 GLU H . . 6.000 5.781 5.367 6.049 0.049 21 0 "[ . 1 . 2 . 3]" 1
722 1 39 ASP QB 1 40 ASN HA . . 3.910 3.577 3.547 3.636 . 0 0 "[ . 1 . 2 . 3]" 1
723 1 39 ASP HB2 1 40 ASN H . . 4.900 2.178 1.981 2.451 . 0 0 "[ . 1 . 2 . 3]" 1
724 1 39 ASP HB2 1 40 ASN HA . . 4.300 3.948 3.778 4.237 . 0 0 "[ . 1 . 2 . 3]" 1
725 1 39 ASP HB3 1 40 ASN H . . 4.900 3.359 2.981 3.571 . 0 0 "[ . 1 . 2 . 3]" 1
726 1 39 ASP HB3 1 40 ASN HA . . 4.300 4.116 3.866 4.316 0.016 13 0 "[ . 1 . 2 . 3]" 1
727 1 40 ASN H 1 42 GLU QB . . 6.880 5.021 4.718 5.414 . 0 0 "[ . 1 . 2 . 3]" 1
728 1 40 ASN HA 1 40 ASN HB2 . . 3.000 2.661 2.510 2.989 . 0 0 "[ . 1 . 2 . 3]" 1
729 1 40 ASN HA 1 40 ASN HB3 . . 3.000 3.001 2.817 3.031 0.031 29 0 "[ . 1 . 2 . 3]" 1
730 1 40 ASN HA 1 41 GLN H . . 3.400 3.399 3.328 3.442 0.042 9 0 "[ . 1 . 2 . 3]" 1
731 1 40 ASN QB 1 42 GLU QB . . 4.460 2.637 2.283 2.972 . 0 0 "[ . 1 . 2 . 3]" 1
732 1 40 ASN HB2 1 42 GLU HB2 . . 4.800 4.748 4.069 4.859 0.059 23 0 "[ . 1 . 2 . 3]" 1
733 1 40 ASN HB2 1 42 GLU HB3 . . 4.800 4.495 4.045 4.833 0.033 24 0 "[ . 1 . 2 . 3]" 1
734 1 40 ASN HB3 1 42 GLU HB2 . . 4.800 3.126 2.371 3.412 . 0 0 "[ . 1 . 2 . 3]" 1
735 1 40 ASN HB3 1 42 GLU HB3 . . 4.800 2.954 2.524 3.435 . 0 0 "[ . 1 . 2 . 3]" 1
736 1 41 GLN H 1 41 GLN QB . . 3.910 3.385 2.718 3.505 . 0 0 "[ . 1 . 2 . 3]" 1
737 1 41 GLN H 1 41 GLN HG2 . . 4.200 3.085 2.678 4.260 0.060 22 0 "[ . 1 . 2 . 3]" 1
738 1 41 GLN H 1 41 GLN HG3 . . 4.200 3.041 2.700 4.262 0.062 16 0 "[ . 1 . 2 . 3]" 1
739 1 41 GLN H 1 42 GLU QB . . 5.080 4.370 3.985 4.538 . 0 0 "[ . 1 . 2 . 3]" 1
740 1 41 GLN HA 1 41 GLN HG2 . . 3.400 2.443 2.204 2.690 . 0 0 "[ . 1 . 2 . 3]" 1
741 1 41 GLN HA 1 41 GLN QG . . 3.180 2.368 2.106 2.594 . 0 0 "[ . 1 . 2 . 3]" 1
742 1 41 GLN HA 1 41 GLN HG3 . . 3.400 3.193 2.654 3.403 0.003 3 0 "[ . 1 . 2 . 3]" 1
743 1 41 GLN HA 1 42 GLU H . . 3.400 2.847 2.433 3.100 . 0 0 "[ . 1 . 2 . 3]" 1
744 1 41 GLN HB2 1 41 GLN HG2 . . 3.000 3.008 2.955 3.023 0.023 7 0 "[ . 1 . 2 . 3]" 1
745 1 41 GLN HB2 1 41 GLN HG3 . . 3.000 2.372 2.210 2.447 . 0 0 "[ . 1 . 2 . 3]" 1
746 1 41 GLN HB3 1 41 GLN HG2 . . 3.000 2.539 2.447 2.827 . 0 0 "[ . 1 . 2 . 3]" 1
747 1 41 GLN HB3 1 41 GLN HG3 . . 3.000 3.015 2.961 3.029 0.029 4 0 "[ . 1 . 2 . 3]" 1
748 1 41 GLN QG 1 42 GLU H . . 4.440 4.064 3.810 4.141 . 0 0 "[ . 1 . 2 . 3]" 1
749 1 41 GLN HG2 1 42 GLU H . . 5.000 4.657 3.947 4.856 . 0 0 "[ . 1 . 2 . 3]" 1
750 1 41 GLN HG3 1 42 GLU H . . 5.000 4.530 4.338 5.045 0.045 23 0 "[ . 1 . 2 . 3]" 1
751 1 42 GLU H 1 42 GLU HB2 . . 3.800 2.822 2.552 3.198 . 0 0 "[ . 1 . 2 . 3]" 1
752 1 42 GLU H 1 42 GLU QB . . 3.550 2.588 2.348 2.830 . 0 0 "[ . 1 . 2 . 3]" 1
753 1 42 GLU H 1 42 GLU HB3 . . 3.800 3.050 2.686 3.625 . 0 0 "[ . 1 . 2 . 3]" 1
754 1 42 GLU H 1 42 GLU HG2 . . 5.100 4.759 4.215 4.927 . 0 0 "[ . 1 . 2 . 3]" 1
755 1 42 GLU H 1 42 GLU HG3 . . 5.100 4.576 3.916 5.014 . 0 0 "[ . 1 . 2 . 3]" 1
756 1 42 GLU HA 1 42 GLU HG2 . . 3.700 2.959 2.275 3.720 0.020 23 0 "[ . 1 . 2 . 3]" 1
757 1 42 GLU HA 1 42 GLU QG . . 3.440 2.294 2.113 2.681 . 0 0 "[ . 1 . 2 . 3]" 1
758 1 42 GLU HA 1 42 GLU HG3 . . 3.700 2.483 2.213 3.596 . 0 0 "[ . 1 . 2 . 3]" 1
759 1 42 GLU HA 1 43 ALA H . . 2.500 2.317 2.185 2.475 . 0 0 "[ . 1 . 2 . 3]" 1
760 1 42 GLU HA 1 43 ALA MB . . 5.700 3.870 3.600 4.153 . 0 0 "[ . 1 . 2 . 3]" 1
761 1 42 GLU HG2 1 43 ALA H . . 5.000 2.943 2.114 4.495 . 0 0 "[ . 1 . 2 . 3]" 1
762 1 42 GLU HG3 1 43 ALA H . . 5.000 3.164 2.141 4.480 . 0 0 "[ . 1 . 2 . 3]" 1
763 1 43 ALA H 1 43 ALA MB . . 3.400 2.580 2.401 2.772 . 0 0 "[ . 1 . 2 . 3]" 1
764 1 43 ALA HA 1 44 THR H . . 2.600 2.350 2.208 2.444 . 0 0 "[ . 1 . 2 . 3]" 1
765 1 43 ALA HA 1 44 THR HB . . 4.500 4.196 3.933 4.531 0.031 22 0 "[ . 1 . 2 . 3]" 1
766 1 43 ALA HA 1 44 THR MG . . 6.800 5.296 5.095 5.425 . 0 0 "[ . 1 . 2 . 3]" 1
767 1 43 ALA MB 1 44 THR H . . 3.500 2.599 2.356 2.903 . 0 0 "[ . 1 . 2 . 3]" 1
768 1 43 ALA MB 1 44 THR HA . . 5.600 4.141 3.914 4.338 . 0 0 "[ . 1 . 2 . 3]" 1
769 1 43 ALA MB 1 44 THR HB . . 7.000 4.745 4.634 4.939 . 0 0 "[ . 1 . 2 . 3]" 1
770 1 44 THR H 1 44 THR HB . . 3.200 2.505 2.378 2.764 . 0 0 "[ . 1 . 2 . 3]" 1
771 1 44 THR H 1 44 THR MG . . 4.400 3.677 3.326 3.752 . 0 0 "[ . 1 . 2 . 3]" 1
772 1 44 THR H 1 45 ILE HA . . 4.600 4.641 4.604 4.678 0.078 11 0 "[ . 1 . 2 . 3]" 1
773 1 44 THR H 1 45 ILE QG . . 6.880 3.703 3.237 4.217 . 0 0 "[ . 1 . 2 . 3]" 1
774 1 44 THR HA 1 44 THR MG . . 3.500 2.500 2.306 2.942 . 0 0 "[ . 1 . 2 . 3]" 1
775 1 44 THR HA 1 45 ILE H . . 2.600 2.233 2.111 2.352 . 0 0 "[ . 1 . 2 . 3]" 1
776 1 44 THR HA 1 45 ILE HB . . 5.400 4.756 4.124 5.038 . 0 0 "[ . 1 . 2 . 3]" 1
777 1 44 THR HA 1 45 ILE MD . . 7.000 4.441 2.513 5.443 . 0 0 "[ . 1 . 2 . 3]" 1
778 1 44 THR HA 1 45 ILE QG . . 4.580 3.753 3.328 4.106 . 0 0 "[ . 1 . 2 . 3]" 1
779 1 44 THR MG 1 45 ILE H . . 5.900 3.065 2.440 3.430 . 0 0 "[ . 1 . 2 . 3]" 1
780 1 45 ILE H 1 45 ILE HB . . 3.500 2.664 2.329 2.864 . 0 0 "[ . 1 . 2 . 3]" 1
781 1 45 ILE H 1 45 ILE MD . . 4.400 3.342 2.037 3.749 . 0 0 "[ . 1 . 2 . 3]" 1
782 1 45 ILE H 1 45 ILE HG12 . . 4.100 3.877 3.041 4.183 0.083 13 0 "[ . 1 . 2 . 3]" 1
783 1 45 ILE H 1 45 ILE QG . . 3.850 2.699 2.098 3.175 . 0 0 "[ . 1 . 2 . 3]" 1
784 1 45 ILE H 1 45 ILE HG13 . . 4.100 2.756 2.139 3.289 . 0 0 "[ . 1 . 2 . 3]" 1
785 1 45 ILE HA 1 45 ILE MD . . 4.500 3.758 3.588 3.833 . 0 0 "[ . 1 . 2 . 3]" 1
786 1 45 ILE HA 1 45 ILE HG12 . . 4.200 2.808 2.431 3.659 . 0 0 "[ . 1 . 2 . 3]" 1
787 1 45 ILE HA 1 45 ILE QG . . 3.860 2.454 2.265 2.630 . 0 0 "[ . 1 . 2 . 3]" 1
788 1 45 ILE HA 1 45 ILE HG13 . . 4.200 2.907 2.499 3.456 . 0 0 "[ . 1 . 2 . 3]" 1
789 1 45 ILE HA 1 46 VAL H . . 2.900 2.461 2.362 2.620 . 0 0 "[ . 1 . 2 . 3]" 1
790 1 45 ILE HB 1 45 ILE MD . . 3.400 2.264 2.098 2.403 . 0 0 "[ . 1 . 2 . 3]" 1
791 1 45 ILE HB 1 45 ILE HG12 . . 3.000 2.947 2.629 3.034 0.034 17 0 "[ . 1 . 2 . 3]" 1
792 1 45 ILE HB 1 45 ILE HG13 . . 3.000 2.670 2.376 3.015 0.015 23 0 "[ . 1 . 2 . 3]" 1
793 1 45 ILE HB 1 47 TYR QD . . 8.000 2.901 2.361 3.997 . 0 0 "[ . 1 . 2 . 3]" 1
794 1 45 ILE HB 1 47 TYR QE . . 8.000 3.104 2.265 4.394 . 0 0 "[ . 1 . 2 . 3]" 1
795 1 45 ILE QG 1 46 VAL H . . 6.880 4.137 3.711 4.370 . 0 0 "[ . 1 . 2 . 3]" 1
796 1 45 ILE MG 1 46 VAL H . . 5.600 2.009 1.828 2.132 . 0 0 "[ . 1 . 2 . 3]" 1
797 1 45 ILE MG 1 46 VAL HA . . 7.000 3.789 3.440 4.022 . 0 0 "[ . 1 . 2 . 3]" 1
798 1 45 ILE MG 1 47 TYR H . . 7.000 4.253 3.740 4.591 . 0 0 "[ . 1 . 2 . 3]" 1
799 1 45 ILE MG 1 47 TYR HA . . 7.000 4.654 4.191 4.996 . 0 0 "[ . 1 . 2 . 3]" 1
800 1 45 ILE MG 1 47 TYR HB2 . . 6.000 4.481 3.996 4.865 . 0 0 "[ . 1 . 2 . 3]" 1
801 1 45 ILE MG 1 47 TYR QB . . 5.690 2.975 2.510 3.281 . 0 0 "[ . 1 . 2 . 3]" 1
802 1 45 ILE MG 1 47 TYR HB3 . . 6.000 3.020 2.537 3.336 . 0 0 "[ . 1 . 2 . 3]" 1
803 1 45 ILE MG 1 47 TYR QD . . 7.600 2.234 2.016 2.937 . 0 0 "[ . 1 . 2 . 3]" 1
804 1 45 ILE MG 1 47 TYR QE . . 9.000 3.558 3.114 4.437 . 0 0 "[ . 1 . 2 . 3]" 1
805 1 46 VAL H 1 46 VAL HB . . 3.400 3.063 2.370 3.267 . 0 0 "[ . 1 . 2 . 3]" 1
806 1 46 VAL H 1 46 VAL MG1 . . 4.800 2.484 2.224 3.489 . 0 0 "[ . 1 . 2 . 3]" 1
807 1 46 VAL H 1 46 VAL QG . . 4.090 2.434 2.212 3.074 . 0 0 "[ . 1 . 2 . 3]" 1
808 1 46 VAL H 1 46 VAL MG2 . . 4.800 3.953 3.414 4.032 . 0 0 "[ . 1 . 2 . 3]" 1
809 1 46 VAL H 1 47 TYR H . . 4.200 4.207 4.091 4.261 0.061 10 0 "[ . 1 . 2 . 3]" 1
810 1 46 VAL H 1 57 MET QG . . 6.880 6.163 6.137 6.202 . 0 0 "[ . 1 . 2 . 3]" 1
811 1 46 VAL HA 1 46 VAL MG1 . . 3.600 3.086 2.822 3.123 . 0 0 "[ . 1 . 2 . 3]" 1
812 1 46 VAL HA 1 46 VAL QG . . 3.130 2.193 2.106 2.288 . 0 0 "[ . 1 . 2 . 3]" 1
813 1 46 VAL HA 1 46 VAL MG2 . . 3.600 2.245 2.142 2.354 . 0 0 "[ . 1 . 2 . 3]" 1
814 1 46 VAL HA 1 47 TYR H . . 3.100 2.162 2.095 2.214 . 0 0 "[ . 1 . 2 . 3]" 1
815 1 46 VAL HA 1 47 TYR QD . . 8.000 3.991 3.361 4.711 . 0 0 "[ . 1 . 2 . 3]" 1
816 1 46 VAL QG 1 47 TYR H . . 4.570 2.809 2.592 3.050 . 0 0 "[ . 1 . 2 . 3]" 1
817 1 46 VAL QG 1 47 TYR QD . . 10.560 4.562 4.223 4.875 . 0 0 "[ . 1 . 2 . 3]" 1
818 1 46 VAL QG 1 47 TYR QE . . 10.560 5.801 5.526 6.084 . 0 0 "[ . 1 . 2 . 3]" 1
819 1 46 VAL MG1 1 47 TYR H . . 5.300 3.862 3.183 4.152 . 0 0 "[ . 1 . 2 . 3]" 1
820 1 46 VAL MG2 1 47 TYR H . . 5.300 2.930 2.643 3.727 . 0 0 "[ . 1 . 2 . 3]" 1
821 1 47 TYR H 1 47 TYR QE . . 6.500 4.839 4.582 5.048 . 0 0 "[ . 1 . 2 . 3]" 1
822 1 47 TYR H 1 48 GLN H . . 5.300 4.426 4.380 4.478 . 0 0 "[ . 1 . 2 . 3]" 1
823 1 47 TYR HA 1 47 TYR HB2 . . 2.900 2.447 2.397 2.505 . 0 0 "[ . 1 . 2 . 3]" 1
824 1 47 TYR HA 1 47 TYR HB3 . . 2.900 2.487 2.435 2.566 . 0 0 "[ . 1 . 2 . 3]" 1
825 1 47 TYR HA 1 48 GLN H . . 3.100 2.666 2.597 2.765 . 0 0 "[ . 1 . 2 . 3]" 1
826 1 47 TYR HA 1 48 GLN QG . . 6.880 4.143 3.041 5.770 . 0 0 "[ . 1 . 2 . 3]" 1
827 1 47 TYR HA 1 52 ILE MG . . 6.500 4.759 4.513 4.950 . 0 0 "[ . 1 . 2 . 3]" 1
828 1 47 TYR QB 1 48 GLN H . . 3.730 2.304 2.127 2.516 . 0 0 "[ . 1 . 2 . 3]" 1
829 1 47 TYR QB 1 52 ILE MG . . 5.380 2.676 2.405 2.913 . 0 0 "[ . 1 . 2 . 3]" 1
830 1 47 TYR HB2 1 48 GLN H . . 4.300 2.324 2.141 2.543 . 0 0 "[ . 1 . 2 . 3]" 1
831 1 47 TYR HB2 1 52 ILE MG . . 5.700 2.738 2.457 2.983 . 0 0 "[ . 1 . 2 . 3]" 1
832 1 47 TYR HB3 1 48 GLN H . . 4.300 3.795 3.632 3.996 . 0 0 "[ . 1 . 2 . 3]" 1
833 1 47 TYR HB3 1 52 ILE MG . . 5.700 3.784 3.382 4.107 . 0 0 "[ . 1 . 2 . 3]" 1
834 1 47 TYR QD 1 48 GLN H . . 8.000 2.779 2.476 2.973 . 0 0 "[ . 1 . 2 . 3]" 1
835 1 47 TYR QD 1 49 PRO HA . . 7.500 4.028 3.675 4.441 . 0 0 "[ . 1 . 2 . 3]" 1
836 1 47 TYR QD 1 49 PRO HB2 . . 8.000 6.196 5.769 6.597 . 0 0 "[ . 1 . 2 . 3]" 1
837 1 47 TYR QD 1 49 PRO HB3 . . 8.000 4.944 4.467 5.334 . 0 0 "[ . 1 . 2 . 3]" 1
838 1 47 TYR QD 1 49 PRO QD . . 8.880 3.708 3.120 4.253 . 0 0 "[ . 1 . 2 . 3]" 1
839 1 47 TYR QD 1 49 PRO QG . . 8.880 5.407 4.904 5.752 . 0 0 "[ . 1 . 2 . 3]" 1
840 1 47 TYR QD 1 52 ILE H . . 8.000 4.711 4.133 5.277 . 0 0 "[ . 1 . 2 . 3]" 1
841 1 47 TYR QD 1 52 ILE MD . . 7.800 5.512 5.333 5.794 . 0 0 "[ . 1 . 2 . 3]" 1
842 1 47 TYR QD 1 52 ILE MG . . 7.000 2.373 2.087 2.852 . 0 0 "[ . 1 . 2 . 3]" 1
843 1 47 TYR QD 1 54 VAL QG . . 10.560 3.909 3.481 4.406 . 0 0 "[ . 1 . 2 . 3]" 1
844 1 47 TYR QE 1 49 PRO HA . . 7.100 4.172 3.239 4.990 . 0 0 "[ . 1 . 2 . 3]" 1
845 1 47 TYR QE 1 49 PRO HB2 . . 8.000 5.787 4.960 6.716 . 0 0 "[ . 1 . 2 . 3]" 1
846 1 47 TYR QE 1 49 PRO HB3 . . 8.000 4.164 3.369 5.096 . 0 0 "[ . 1 . 2 . 3]" 1
847 1 47 TYR QE 1 49 PRO QD . . 8.880 3.821 2.820 4.833 . 0 0 "[ . 1 . 2 . 3]" 1
848 1 47 TYR QE 1 49 PRO QG . . 8.880 5.172 4.347 6.024 . 0 0 "[ . 1 . 2 . 3]" 1
849 1 47 TYR QE 1 54 VAL QG . . 9.960 2.378 2.040 3.186 . 0 0 "[ . 1 . 2 . 3]" 1
850 1 47 TYR QE 1 73 ILE MG . . 9.000 3.996 2.331 6.449 . 0 0 "[ . 1 . 2 . 3]" 1
851 1 48 GLN H 1 48 GLN HB2 . . 3.500 3.338 2.441 3.625 0.125 18 0 "[ . 1 . 2 . 3]" 1
852 1 48 GLN H 1 48 GLN HB3 . . 3.500 3.240 2.383 3.596 0.096 21 0 "[ . 1 . 2 . 3]" 1
853 1 48 GLN H 1 48 GLN HG2 . . 4.200 3.130 2.242 4.298 0.098 19 0 "[ . 1 . 2 . 3]" 1
854 1 48 GLN H 1 48 GLN HG3 . . 4.200 3.220 2.159 4.321 0.121 17 0 "[ . 1 . 2 . 3]" 1
855 1 48 GLN H 1 49 PRO QD . . 6.880 4.346 4.233 4.390 . 0 0 "[ . 1 . 2 . 3]" 1
856 1 48 GLN H 1 52 ILE MG . . 4.700 3.380 3.013 3.642 . 0 0 "[ . 1 . 2 . 3]" 1
857 1 48 GLN HA 1 48 GLN HG2 . . 3.700 3.299 2.112 3.744 0.044 25 0 "[ . 1 . 2 . 3]" 1
858 1 48 GLN HA 1 48 GLN QG . . 3.490 2.897 2.069 3.234 . 0 0 "[ . 1 . 2 . 3]" 1
859 1 48 GLN HA 1 48 GLN HG3 . . 3.700 3.405 2.806 3.717 0.017 27 0 "[ . 1 . 2 . 3]" 1
860 1 48 GLN HA 1 51 LEU H . . 6.000 5.903 5.683 6.025 0.025 9 0 "[ . 1 . 2 . 3]" 1
861 1 48 GLN HA 1 52 ILE H . . 6.000 6.085 6.063 6.138 0.138 30 0 "[ . 1 . 2 . 3]" 1
862 1 48 GLN HA 1 74 GLU HA . . 6.000 6.076 6.015 6.184 0.184 30 0 "[ . 1 . 2 . 3]" 1
863 1 48 GLN QB 1 49 PRO QD . . 6.650 2.607 2.253 3.325 . 0 0 "[ . 1 . 2 . 3]" 1
864 1 49 PRO HA 1 52 ILE MG . . 5.300 3.014 2.584 3.341 . 0 0 "[ . 1 . 2 . 3]" 1
865 1 49 PRO QB 1 54 VAL QG . . 5.930 2.101 1.984 2.268 . 0 0 "[ . 1 . 2 . 3]" 1
866 1 49 PRO HB2 1 54 VAL MG1 . . 8.020 5.435 5.094 5.824 . 0 0 "[ . 1 . 2 . 3]" 1
867 1 49 PRO HB2 1 54 VAL MG2 . . 8.020 3.503 3.103 3.682 . 0 0 "[ . 1 . 2 . 3]" 1
868 1 49 PRO HB3 1 54 VAL MG1 . . 8.020 4.452 4.001 4.842 . 0 0 "[ . 1 . 2 . 3]" 1
869 1 49 PRO HB3 1 54 VAL MG2 . . 8.020 2.124 2.002 2.295 . 0 0 "[ . 1 . 2 . 3]" 1
870 1 50 HIS H 1 51 LEU H . . 4.200 2.152 1.971 2.311 . 0 0 "[ . 1 . 2 . 3]" 1
871 1 50 HIS HA 1 50 HIS HB2 . . 2.900 2.806 2.318 3.015 0.115 3 0 "[ . 1 . 2 . 3]" 1
872 1 50 HIS HA 1 50 HIS HB3 . . 2.900 2.870 2.719 3.053 0.153 5 0 "[ . 1 . 2 . 3]" 1
873 1 50 HIS HA 1 50 HIS HD2 . . 5.100 4.036 2.363 4.954 . 0 0 "[ . 1 . 2 . 3]" 1
874 1 50 HIS HD2 1 51 LEU HA . . 6.000 5.743 4.182 6.399 0.399 29 0 "[ . 1 . 2 . 3]" 1
875 1 50 HIS HD2 1 51 LEU QD . . 7.370 4.387 2.993 5.004 . 0 0 "[ . 1 . 2 . 3]" 1
876 1 50 HIS HD2 1 51 LEU HG . . 5.000 4.476 2.329 5.491 0.491 13 0 "[ . 1 . 2 . 3]" 1
877 1 51 LEU H 1 51 LEU QB . . 3.710 2.272 2.201 2.398 . 0 0 "[ . 1 . 2 . 3]" 1
878 1 51 LEU H 1 51 LEU MD1 . . 4.900 3.266 1.947 3.516 . 0 0 "[ . 1 . 2 . 3]" 1
879 1 51 LEU H 1 51 LEU QD . . 4.430 3.097 1.943 3.302 . 0 0 "[ . 1 . 2 . 3]" 1
880 1 51 LEU H 1 51 LEU MD2 . . 4.900 4.014 3.910 4.093 . 0 0 "[ . 1 . 2 . 3]" 1
881 1 51 LEU H 1 51 LEU HG . . 3.800 2.838 2.558 3.433 . 0 0 "[ . 1 . 2 . 3]" 1
882 1 51 LEU H 1 52 ILE H . . 2.900 2.406 2.305 2.484 . 0 0 "[ . 1 . 2 . 3]" 1
883 1 51 LEU H 1 52 ILE HA . . 5.400 5.067 4.983 5.142 . 0 0 "[ . 1 . 2 . 3]" 1
884 1 51 LEU H 1 52 ILE HB . . 4.700 4.717 4.675 4.745 0.045 24 0 "[ . 1 . 2 . 3]" 1
885 1 51 LEU H 1 52 ILE MG . . 7.000 3.667 3.507 3.841 . 0 0 "[ . 1 . 2 . 3]" 1
886 1 51 LEU HA 1 51 LEU HG . . 2.700 2.674 2.396 2.738 0.038 25 0 "[ . 1 . 2 . 3]" 1
887 1 51 LEU QB 1 52 ILE H . . 4.080 3.070 2.802 3.251 . 0 0 "[ . 1 . 2 . 3]" 1
888 1 51 LEU QB 1 52 ILE HA . . 5.180 4.287 4.162 4.402 . 0 0 "[ . 1 . 2 . 3]" 1
889 1 51 LEU HB2 1 52 ILE H . . 4.600 3.188 2.891 3.388 . 0 0 "[ . 1 . 2 . 3]" 1
890 1 51 LEU HB3 1 52 ILE H . . 4.600 4.010 3.760 4.187 . 0 0 "[ . 1 . 2 . 3]" 1
891 1 51 LEU QD 1 52 ILE H . . 8.270 4.353 3.861 4.510 . 0 0 "[ . 1 . 2 . 3]" 1
892 1 52 ILE H 1 52 ILE HB . . 3.700 2.892 2.807 2.982 . 0 0 "[ . 1 . 2 . 3]" 1
893 1 52 ILE H 1 52 ILE MD . . 5.000 4.209 4.191 4.227 . 0 0 "[ . 1 . 2 . 3]" 1
894 1 52 ILE H 1 52 ILE MG . . 3.700 2.053 1.997 2.196 . 0 0 "[ . 1 . 2 . 3]" 1
895 1 52 ILE H 1 53 SER H . . 4.400 4.439 4.414 4.471 0.071 30 0 "[ . 1 . 2 . 3]" 1
896 1 52 ILE H 1 53 SER HA . . 4.900 4.910 4.788 4.950 0.050 11 0 "[ . 1 . 2 . 3]" 1
897 1 52 ILE HA 1 52 ILE HB . . 2.700 2.488 2.446 2.521 . 0 0 "[ . 1 . 2 . 3]" 1
898 1 52 ILE HA 1 52 ILE MD . . 4.100 2.054 2.016 2.096 . 0 0 "[ . 1 . 2 . 3]" 1
899 1 52 ILE HA 1 52 ILE HG12 . . 3.600 3.624 3.611 3.646 0.046 26 0 "[ . 1 . 2 . 3]" 1
900 1 52 ILE HA 1 52 ILE QG . . 3.340 2.834 2.747 2.907 . 0 0 "[ . 1 . 2 . 3]" 1
901 1 52 ILE HA 1 52 ILE HG13 . . 3.600 2.960 2.845 3.060 . 0 0 "[ . 1 . 2 . 3]" 1
902 1 52 ILE HA 1 52 ILE MG . . 3.700 3.175 3.168 3.185 . 0 0 "[ . 1 . 2 . 3]" 1
903 1 52 ILE HA 1 53 SER H . . 2.600 2.271 2.209 2.339 . 0 0 "[ . 1 . 2 . 3]" 1
904 1 52 ILE HA 1 53 SER HA . . 4.300 4.315 4.272 4.331 0.031 1 0 "[ . 1 . 2 . 3]" 1
905 1 52 ILE HA 1 56 GLU H . . 6.000 5.699 5.450 5.930 . 0 0 "[ . 1 . 2 . 3]" 1
906 1 52 ILE HA 1 57 MET H . . 5.700 5.084 4.816 5.440 . 0 0 "[ . 1 . 2 . 3]" 1
907 1 52 ILE HB 1 52 ILE MD . . 3.400 2.264 2.178 2.392 . 0 0 "[ . 1 . 2 . 3]" 1
908 1 52 ILE MD 1 53 SER H . . 4.500 2.324 2.131 2.589 . 0 0 "[ . 1 . 2 . 3]" 1
909 1 52 ILE MD 1 54 VAL H . . 5.000 4.156 3.937 4.222 . 0 0 "[ . 1 . 2 . 3]" 1
910 1 52 ILE MD 1 56 GLU QB . . 5.180 1.965 1.897 2.033 . 0 0 "[ . 1 . 2 . 3]" 1
911 1 52 ILE MD 1 56 GLU HG2 . . 5.000 4.011 3.779 4.199 . 0 0 "[ . 1 . 2 . 3]" 1
912 1 52 ILE MD 1 56 GLU QG . . 4.720 3.376 3.045 3.531 . 0 0 "[ . 1 . 2 . 3]" 1
913 1 52 ILE MD 1 56 GLU HG3 . . 5.000 3.722 3.128 4.146 . 0 0 "[ . 1 . 2 . 3]" 1
914 1 52 ILE MD 1 57 MET HA . . 5.100 2.862 2.621 3.284 . 0 0 "[ . 1 . 2 . 3]" 1
915 1 52 ILE MD 1 57 MET HG2 . . 5.100 3.189 2.526 4.035 . 0 0 "[ . 1 . 2 . 3]" 1
916 1 52 ILE MD 1 57 MET HG3 . . 5.100 4.142 2.527 4.286 . 0 0 "[ . 1 . 2 . 3]" 1
917 1 52 ILE QG 1 57 MET HA . . 6.680 3.110 2.620 3.758 . 0 0 "[ . 1 . 2 . 3]" 1
918 1 52 ILE HG12 1 52 ILE MG . . 3.600 2.286 2.207 2.333 . 0 0 "[ . 1 . 2 . 3]" 1
919 1 52 ILE HG12 1 53 SER H . . 4.200 4.062 3.543 4.241 0.041 12 0 "[ . 1 . 2 . 3]" 1
920 1 52 ILE HG13 1 52 ILE MG . . 3.600 2.396 2.323 2.518 . 0 0 "[ . 1 . 2 . 3]" 1
921 1 52 ILE HG13 1 53 SER H . . 4.200 2.517 1.997 2.735 . 0 0 "[ . 1 . 2 . 3]" 1
922 1 52 ILE MG 1 53 SER H . . 6.500 3.631 3.360 3.778 . 0 0 "[ . 1 . 2 . 3]" 1
923 1 52 ILE MG 1 54 VAL H . . 6.600 2.118 1.938 2.373 . 0 0 "[ . 1 . 2 . 3]" 1
924 1 52 ILE MG 1 54 VAL HA . . 6.400 2.713 2.558 3.098 . 0 0 "[ . 1 . 2 . 3]" 1
925 1 52 ILE MG 1 56 GLU H . . 6.700 4.951 4.804 5.101 . 0 0 "[ . 1 . 2 . 3]" 1
926 1 53 SER H 1 53 SER HB2 . . 4.000 2.428 2.069 2.595 . 0 0 "[ . 1 . 2 . 3]" 1
927 1 53 SER H 1 53 SER QB . . 3.750 2.389 2.046 2.534 . 0 0 "[ . 1 . 2 . 3]" 1
928 1 53 SER H 1 53 SER HB3 . . 4.000 3.567 3.220 3.674 . 0 0 "[ . 1 . 2 . 3]" 1
929 1 53 SER H 1 54 VAL HA . . 5.400 5.068 4.732 5.258 . 0 0 "[ . 1 . 2 . 3]" 1
930 1 53 SER H 1 55 GLU QB . . 6.480 5.817 5.759 5.865 . 0 0 "[ . 1 . 2 . 3]" 1
931 1 53 SER H 1 56 GLU QB . . 5.180 2.205 2.051 2.379 . 0 0 "[ . 1 . 2 . 3]" 1
932 1 53 SER H 1 56 GLU QG . . 6.680 3.347 2.982 3.656 . 0 0 "[ . 1 . 2 . 3]" 1
933 1 53 SER H 1 57 MET QB . . 5.880 5.181 4.961 5.301 . 0 0 "[ . 1 . 2 . 3]" 1
934 1 53 SER HA 1 53 SER HB2 . . 2.900 2.946 2.861 2.968 0.068 18 0 "[ . 1 . 2 . 3]" 1
935 1 53 SER HA 1 53 SER HB3 . . 2.900 2.430 2.323 2.889 . 0 0 "[ . 1 . 2 . 3]" 1
936 1 53 SER HA 1 54 VAL H . . 3.200 2.889 2.757 2.994 . 0 0 "[ . 1 . 2 . 3]" 1
937 1 53 SER HA 1 55 GLU H . . 4.600 4.461 4.366 4.518 . 0 0 "[ . 1 . 2 . 3]" 1
938 1 53 SER HA 1 56 GLU H . . 4.600 4.683 4.661 4.712 0.112 30 0 "[ . 1 . 2 . 3]" 1
939 1 53 SER QB 1 54 VAL H . . 4.060 3.679 3.642 3.717 . 0 0 "[ . 1 . 2 . 3]" 1
940 1 53 SER QB 1 55 GLU H . . 4.010 3.458 2.988 3.575 . 0 0 "[ . 1 . 2 . 3]" 1
941 1 53 SER QB 1 56 GLU H . . 6.880 2.618 2.392 2.759 . 0 0 "[ . 1 . 2 . 3]" 1
942 1 53 SER HB2 1 54 VAL H . . 4.400 3.956 3.875 4.160 . 0 0 "[ . 1 . 2 . 3]" 1
943 1 53 SER HB2 1 55 GLU H . . 4.300 3.826 3.602 4.325 0.025 4 0 "[ . 1 . 2 . 3]" 1
944 1 53 SER HB3 1 54 VAL H . . 4.400 4.383 4.104 4.429 0.029 18 0 "[ . 1 . 2 . 3]" 1
945 1 53 SER HB3 1 55 GLU H . . 4.300 4.022 3.045 4.315 0.015 17 0 "[ . 1 . 2 . 3]" 1
946 1 54 VAL H 1 54 VAL HB . . 3.200 3.175 3.062 3.222 0.022 11 0 "[ . 1 . 2 . 3]" 1
947 1 54 VAL H 1 55 GLU H . . 3.500 3.556 3.507 3.591 0.091 3 0 "[ . 1 . 2 . 3]" 1
948 1 54 VAL H 1 56 GLU H . . 4.600 3.925 3.800 4.080 . 0 0 "[ . 1 . 2 . 3]" 1
949 1 54 VAL HA 1 54 VAL HB . . 3.000 2.834 2.740 2.967 . 0 0 "[ . 1 . 2 . 3]" 1
950 1 54 VAL HA 1 54 VAL MG1 . . 3.600 3.022 2.830 3.061 . 0 0 "[ . 1 . 2 . 3]" 1
951 1 54 VAL HA 1 54 VAL QG . . 3.130 2.046 2.000 2.105 . 0 0 "[ . 1 . 2 . 3]" 1
952 1 54 VAL HA 1 54 VAL MG2 . . 3.600 2.082 2.028 2.149 . 0 0 "[ . 1 . 2 . 3]" 1
953 1 54 VAL HB 1 55 GLU H . . 3.400 3.168 2.799 3.407 0.007 21 0 "[ . 1 . 2 . 3]" 1
954 1 54 VAL QG 1 55 GLU H . . 5.330 2.113 2.036 2.375 . 0 0 "[ . 1 . 2 . 3]" 1
955 1 54 VAL QG 1 55 GLU HA . . 8.560 3.126 2.990 3.278 . 0 0 "[ . 1 . 2 . 3]" 1
956 1 54 VAL QG 1 55 GLU QG . . 6.840 3.702 2.969 4.333 . 0 0 "[ . 1 . 2 . 3]" 1
957 1 54 VAL QG 1 56 GLU H . . 7.360 4.124 3.958 4.239 . 0 0 "[ . 1 . 2 . 3]" 1
958 1 54 VAL QG 1 57 MET H . . 6.860 5.056 4.893 5.154 . 0 0 "[ . 1 . 2 . 3]" 1
959 1 54 VAL MG1 1 55 GLU H . . 5.800 2.120 2.042 2.392 . 0 0 "[ . 1 . 2 . 3]" 1
960 1 54 VAL MG2 1 55 GLU H . . 5.800 4.038 3.950 4.103 . 0 0 "[ . 1 . 2 . 3]" 1
961 1 55 GLU H 1 55 GLU HB2 . . 3.000 2.236 2.058 2.521 . 0 0 "[ . 1 . 2 . 3]" 1
962 1 55 GLU H 1 55 GLU QB . . 2.770 2.128 2.025 2.259 . 0 0 "[ . 1 . 2 . 3]" 1
963 1 55 GLU H 1 55 GLU HB3 . . 3.000 2.823 2.319 3.041 0.041 26 0 "[ . 1 . 2 . 3]" 1
964 1 55 GLU H 1 55 GLU HG2 . . 4.500 4.490 4.367 4.553 0.053 12 0 "[ . 1 . 2 . 3]" 1
965 1 55 GLU H 1 55 GLU HG3 . . 4.500 4.231 3.793 4.507 0.007 9 0 "[ . 1 . 2 . 3]" 1
966 1 55 GLU H 1 56 GLU H . . 3.500 2.430 2.289 2.585 . 0 0 "[ . 1 . 2 . 3]" 1
967 1 55 GLU HA 1 55 GLU HB2 . . 2.900 2.707 2.479 2.864 . 0 0 "[ . 1 . 2 . 3]" 1
968 1 55 GLU HA 1 55 GLU HB3 . . 2.900 2.946 2.911 2.980 0.080 28 0 "[ . 1 . 2 . 3]" 1
969 1 55 GLU HA 1 55 GLU HG2 . . 4.000 3.067 2.203 3.816 . 0 0 "[ . 1 . 2 . 3]" 1
970 1 55 GLU HA 1 55 GLU QG . . 3.610 2.363 2.042 2.934 . 0 0 "[ . 1 . 2 . 3]" 1
971 1 55 GLU HA 1 55 GLU HG3 . . 4.000 2.515 2.107 3.063 . 0 0 "[ . 1 . 2 . 3]" 1
972 1 55 GLU HA 1 57 MET H . . 5.200 4.450 4.044 4.724 . 0 0 "[ . 1 . 2 . 3]" 1
973 1 55 GLU HA 1 58 LYS H . . 4.900 3.583 3.271 3.964 . 0 0 "[ . 1 . 2 . 3]" 1
974 1 55 GLU HA 1 58 LYS QB . . 4.280 3.385 2.975 3.824 . 0 0 "[ . 1 . 2 . 3]" 1
975 1 55 GLU HA 1 59 LYS H . . 4.700 4.267 4.020 4.501 . 0 0 "[ . 1 . 2 . 3]" 1
976 1 55 GLU QB 1 56 GLU H . . 3.830 2.742 2.524 3.037 . 0 0 "[ . 1 . 2 . 3]" 1
977 1 55 GLU HB2 1 56 GLU H . . 4.400 3.627 3.281 3.913 . 0 0 "[ . 1 . 2 . 3]" 1
978 1 55 GLU HB3 1 56 GLU H . . 4.400 2.852 2.564 3.228 . 0 0 "[ . 1 . 2 . 3]" 1
979 1 55 GLU QG 1 69 PHE QE . . 8.880 6.751 5.749 7.089 . 0 0 "[ . 1 . 2 . 3]" 1
980 1 56 GLU H 1 56 GLU HB2 . . 3.500 2.236 2.157 2.304 . 0 0 "[ . 1 . 2 . 3]" 1
981 1 56 GLU H 1 56 GLU HB3 . . 3.500 3.506 3.403 3.539 0.039 19 0 "[ . 1 . 2 . 3]" 1
982 1 56 GLU H 1 56 GLU HG2 . . 4.200 3.498 2.519 4.150 . 0 0 "[ . 1 . 2 . 3]" 1
983 1 56 GLU H 1 56 GLU QG . . 3.670 2.860 2.482 3.277 . 0 0 "[ . 1 . 2 . 3]" 1
984 1 56 GLU H 1 56 GLU HG3 . . 4.200 3.395 2.635 4.069 . 0 0 "[ . 1 . 2 . 3]" 1
985 1 56 GLU H 1 57 MET H . . 3.300 3.016 2.841 3.154 . 0 0 "[ . 1 . 2 . 3]" 1
986 1 56 GLU H 1 57 MET QG . . 6.880 5.902 5.580 6.107 . 0 0 "[ . 1 . 2 . 3]" 1
987 1 56 GLU H 1 59 LYS QG . . 6.880 4.717 3.849 5.594 . 0 0 "[ . 1 . 2 . 3]" 1
988 1 56 GLU HA 1 56 GLU QG . . 3.810 2.379 2.124 2.677 . 0 0 "[ . 1 . 2 . 3]" 1
989 1 56 GLU HA 1 57 MET HA . . 5.000 4.939 4.825 5.023 0.023 7 0 "[ . 1 . 2 . 3]" 1
990 1 56 GLU HA 1 58 LYS H . . 6.000 4.486 4.141 5.003 . 0 0 "[ . 1 . 2 . 3]" 1
991 1 56 GLU QB 1 57 MET H . . 2.980 2.464 2.287 2.657 . 0 0 "[ . 1 . 2 . 3]" 1
992 1 56 GLU HB2 1 57 MET H . . 3.200 2.679 2.440 2.844 . 0 0 "[ . 1 . 2 . 3]" 1
993 1 56 GLU HB3 1 57 MET H . . 3.200 2.924 2.552 3.216 0.016 15 0 "[ . 1 . 2 . 3]" 1
994 1 56 GLU QG 1 57 MET H . . 5.780 4.305 4.192 4.440 . 0 0 "[ . 1 . 2 . 3]" 1
995 1 57 MET H 1 57 MET HB2 . . 3.800 1.985 1.949 2.009 . 0 0 "[ . 1 . 2 . 3]" 1
996 1 57 MET H 1 57 MET QB . . 3.310 1.965 1.920 1.990 . 0 0 "[ . 1 . 2 . 3]" 1
997 1 57 MET H 1 57 MET HB3 . . 3.800 3.150 2.887 3.364 . 0 0 "[ . 1 . 2 . 3]" 1
998 1 57 MET H 1 57 MET HG2 . . 4.000 3.594 3.284 4.095 0.095 11 0 "[ . 1 . 2 . 3]" 1
999 1 57 MET H 1 57 MET QG . . 3.750 3.324 2.890 3.484 . 0 0 "[ . 1 . 2 . 3]" 1
1000 1 57 MET H 1 57 MET HG3 . . 4.000 3.994 2.955 4.104 0.104 28 0 "[ . 1 . 2 . 3]" 1
1001 1 57 MET H 1 58 LYS H . . 3.200 3.104 2.972 3.213 0.013 8 0 "[ . 1 . 2 . 3]" 1
1002 1 57 MET H 1 58 LYS HA . . 6.000 5.631 5.545 5.699 . 0 0 "[ . 1 . 2 . 3]" 1
1003 1 57 MET H 1 60 GLN H . . 6.000 4.870 4.706 4.988 . 0 0 "[ . 1 . 2 . 3]" 1
1004 1 57 MET HA 1 57 MET HB2 . . 3.000 2.812 2.721 2.975 . 0 0 "[ . 1 . 2 . 3]" 1
1005 1 57 MET HA 1 57 MET HB3 . . 3.000 2.971 2.812 3.024 0.024 7 0 "[ . 1 . 2 . 3]" 1
1006 1 57 MET HA 1 57 MET HG2 . . 3.500 2.305 2.122 2.614 . 0 0 "[ . 1 . 2 . 3]" 1
1007 1 57 MET HA 1 57 MET QG . . 3.140 2.259 2.094 2.447 . 0 0 "[ . 1 . 2 . 3]" 1
1008 1 57 MET HA 1 57 MET HG3 . . 3.500 3.454 2.239 3.522 0.022 20 0 "[ . 1 . 2 . 3]" 1
1009 1 57 MET HA 1 60 GLN H . . 5.000 3.940 3.645 4.350 . 0 0 "[ . 1 . 2 . 3]" 1
1010 1 57 MET HA 1 60 GLN QB . . 4.880 3.589 3.075 4.037 . 0 0 "[ . 1 . 2 . 3]" 1
1011 1 57 MET HA 1 61 ILE H . . 5.700 5.124 4.712 5.727 0.027 30 0 "[ . 1 . 2 . 3]" 1
1012 1 57 MET QB 1 58 LYS H . . 3.760 2.469 2.198 2.729 . 0 0 "[ . 1 . 2 . 3]" 1
1013 1 57 MET HB2 1 58 LYS H . . 4.100 3.261 2.927 3.475 . 0 0 "[ . 1 . 2 . 3]" 1
1014 1 57 MET HB3 1 58 LYS H . . 4.100 2.571 2.232 3.038 . 0 0 "[ . 1 . 2 . 3]" 1
1015 1 57 MET QG 1 58 LYS H . . 6.880 4.396 4.173 4.590 . 0 0 "[ . 1 . 2 . 3]" 1
1016 1 58 LYS H 1 58 LYS HB2 . . 3.100 2.492 2.049 2.853 . 0 0 "[ . 1 . 2 . 3]" 1
1017 1 58 LYS H 1 58 LYS QB . . 2.870 2.175 2.027 2.276 . 0 0 "[ . 1 . 2 . 3]" 1
1018 1 58 LYS H 1 58 LYS HB3 . . 3.100 2.575 2.203 3.212 0.112 8 0 "[ . 1 . 2 . 3]" 1
1019 1 58 LYS H 1 58 LYS QG . . 5.080 3.954 3.697 4.082 . 0 0 "[ . 1 . 2 . 3]" 1
1020 1 58 LYS H 1 59 LYS H . . 3.500 2.510 2.263 2.808 . 0 0 "[ . 1 . 2 . 3]" 1
1021 1 58 LYS H 1 59 LYS HA . . 5.600 5.146 4.931 5.411 . 0 0 "[ . 1 . 2 . 3]" 1
1022 1 58 LYS H 1 59 LYS QD . . 7.000 4.493 3.581 5.314 . 0 0 "[ . 1 . 2 . 3]" 1
1023 1 58 LYS H 1 60 GLN H . . 6.000 4.037 3.856 4.192 . 0 0 "[ . 1 . 2 . 3]" 1
1024 1 58 LYS H 1 61 ILE MD . . 7.000 4.468 4.208 5.831 . 0 0 "[ . 1 . 2 . 3]" 1
1025 1 58 LYS HA 1 58 LYS HG2 . . 4.000 2.920 2.272 3.927 . 0 0 "[ . 1 . 2 . 3]" 1
1026 1 58 LYS HA 1 58 LYS QG . . 3.510 2.521 2.159 3.154 . 0 0 "[ . 1 . 2 . 3]" 1
1027 1 58 LYS HA 1 58 LYS HG3 . . 4.000 3.234 2.184 3.697 . 0 0 "[ . 1 . 2 . 3]" 1
1028 1 58 LYS HA 1 59 LYS HA . . 5.000 4.773 4.649 4.858 . 0 0 "[ . 1 . 2 . 3]" 1
1029 1 58 LYS HA 1 61 ILE H . . 4.600 3.339 3.143 3.498 . 0 0 "[ . 1 . 2 . 3]" 1
1030 1 58 LYS HA 1 61 ILE HA . . 5.500 5.503 5.056 5.618 0.118 14 0 "[ . 1 . 2 . 3]" 1
1031 1 58 LYS HA 1 61 ILE HB . . 3.800 2.944 2.550 3.280 . 0 0 "[ . 1 . 2 . 3]" 1
1032 1 58 LYS HA 1 61 ILE MD . . 5.900 2.416 2.069 3.577 . 0 0 "[ . 1 . 2 . 3]" 1
1033 1 58 LYS HA 1 62 GLU H . . 4.900 4.421 4.183 4.906 0.006 29 0 "[ . 1 . 2 . 3]" 1
1034 1 58 LYS QB 1 59 LYS H . . 3.530 2.681 2.388 2.978 . 0 0 "[ . 1 . 2 . 3]" 1
1035 1 58 LYS HB2 1 59 LYS H . . 4.100 3.792 2.881 4.129 0.029 4 0 "[ . 1 . 2 . 3]" 1
1036 1 58 LYS HB3 1 59 LYS H . . 4.100 2.770 2.413 3.158 . 0 0 "[ . 1 . 2 . 3]" 1
1037 1 58 LYS QG 1 59 LYS H . . 6.880 4.109 3.413 4.770 . 0 0 "[ . 1 . 2 . 3]" 1
1038 1 58 LYS QG 1 61 ILE MD . . 6.380 3.846 3.116 4.736 . 0 0 "[ . 1 . 2 . 3]" 1
1039 1 59 LYS H 1 59 LYS HB2 . . 3.600 2.378 2.003 2.691 . 0 0 "[ . 1 . 2 . 3]" 1
1040 1 59 LYS H 1 59 LYS HB3 . . 3.600 3.552 3.333 3.635 0.035 6 0 "[ . 1 . 2 . 3]" 1
1041 1 59 LYS H 1 59 LYS QD . . 5.600 2.761 2.238 3.435 . 0 0 "[ . 1 . 2 . 3]" 1
1042 1 59 LYS H 1 59 LYS HG2 . . 4.600 3.048 2.110 3.989 . 0 0 "[ . 1 . 2 . 3]" 1
1043 1 59 LYS H 1 59 LYS QG . . 3.990 2.872 2.097 3.614 . 0 0 "[ . 1 . 2 . 3]" 1
1044 1 59 LYS H 1 59 LYS HG3 . . 4.600 3.902 3.613 4.246 . 0 0 "[ . 1 . 2 . 3]" 1
1045 1 59 LYS H 1 60 GLN H . . 3.200 2.799 2.611 2.930 . 0 0 "[ . 1 . 2 . 3]" 1
1046 1 59 LYS H 1 61 ILE H . . 5.400 4.294 4.113 4.456 . 0 0 "[ . 1 . 2 . 3]" 1
1047 1 59 LYS HA 1 59 LYS HG2 . . 3.800 3.410 3.010 3.620 . 0 0 "[ . 1 . 2 . 3]" 1
1048 1 59 LYS HA 1 59 LYS QG . . 3.500 2.763 2.335 3.137 . 0 0 "[ . 1 . 2 . 3]" 1
1049 1 59 LYS HA 1 59 LYS HG3 . . 3.800 3.120 2.367 3.772 . 0 0 "[ . 1 . 2 . 3]" 1
1050 1 59 LYS HA 1 62 GLU H . . 5.100 2.873 2.696 3.014 . 0 0 "[ . 1 . 2 . 3]" 1
1051 1 59 LYS QD 1 69 PHE H . . 7.000 6.325 6.268 6.419 . 0 0 "[ . 1 . 2 . 3]" 1
1052 1 59 LYS QD 1 69 PHE QD . . 9.000 6.215 5.591 6.743 . 0 0 "[ . 1 . 2 . 3]" 1
1053 1 59 LYS QD 1 69 PHE QE . . 9.000 6.654 5.907 7.144 . 0 0 "[ . 1 . 2 . 3]" 1
1054 1 59 LYS QD 1 70 VAL MG1 . . 8.000 4.744 2.738 5.977 . 0 0 "[ . 1 . 2 . 3]" 1
1055 1 59 LYS QD 1 70 VAL QG . . 6.940 4.103 2.720 4.594 . 0 0 "[ . 1 . 2 . 3]" 1
1056 1 59 LYS QD 1 70 VAL MG2 . . 8.000 5.031 3.395 5.958 . 0 0 "[ . 1 . 2 . 3]" 1
1057 1 59 LYS QG 1 60 GLN H . . 5.790 4.563 4.187 4.903 . 0 0 "[ . 1 . 2 . 3]" 1
1058 1 59 LYS HG2 1 60 GLN H . . 6.000 5.015 4.397 5.662 . 0 0 "[ . 1 . 2 . 3]" 1
1059 1 59 LYS HG3 1 60 GLN H . . 6.000 5.352 5.219 5.566 . 0 0 "[ . 1 . 2 . 3]" 1
1060 1 60 GLN H 1 60 GLN HB2 . . 3.500 2.841 2.362 3.539 0.039 30 0 "[ . 1 . 2 . 3]" 1
1061 1 60 GLN H 1 60 GLN QB . . 3.090 2.377 2.133 2.611 . 0 0 "[ . 1 . 2 . 3]" 1
1062 1 60 GLN H 1 60 GLN HB3 . . 3.500 3.112 2.156 3.563 0.063 13 0 "[ . 1 . 2 . 3]" 1
1063 1 60 GLN H 1 60 GLN HG2 . . 4.100 2.521 2.190 3.362 . 0 0 "[ . 1 . 2 . 3]" 1
1064 1 60 GLN H 1 60 GLN QG . . 3.660 2.424 2.098 3.229 . 0 0 "[ . 1 . 2 . 3]" 1
1065 1 60 GLN H 1 60 GLN HG3 . . 4.100 3.182 2.478 4.174 0.074 24 0 "[ . 1 . 2 . 3]" 1
1066 1 60 GLN H 1 61 ILE H . . 3.200 2.531 2.453 2.605 . 0 0 "[ . 1 . 2 . 3]" 1
1067 1 60 GLN H 1 61 ILE HB . . 4.600 4.656 4.636 4.696 0.096 30 0 "[ . 1 . 2 . 3]" 1
1068 1 60 GLN H 1 61 ILE MD . . 7.000 3.854 3.458 5.711 . 0 0 "[ . 1 . 2 . 3]" 1
1069 1 60 GLN H 1 61 ILE QG . . 6.880 5.338 4.135 5.607 . 0 0 "[ . 1 . 2 . 3]" 1
1070 1 60 GLN HA 1 60 GLN HB2 . . 3.000 2.753 2.182 3.028 0.028 16 0 "[ . 1 . 2 . 3]" 1
1071 1 60 GLN HA 1 60 GLN HB3 . . 3.000 2.521 2.316 2.831 . 0 0 "[ . 1 . 2 . 3]" 1
1072 1 60 GLN HA 1 60 GLN HG2 . . 3.800 2.972 2.484 3.800 . 4 0 "[ . 1 . 2 . 3]" 1
1073 1 60 GLN HA 1 60 GLN QG . . 3.550 2.747 2.447 3.216 . 0 0 "[ . 1 . 2 . 3]" 1
1074 1 60 GLN HA 1 60 GLN HG3 . . 3.800 3.632 3.218 3.788 . 0 0 "[ . 1 . 2 . 3]" 1
1075 1 60 GLN HA 1 61 ILE H . . 3.500 3.514 3.492 3.543 0.043 14 0 "[ . 1 . 2 . 3]" 1
1076 1 60 GLN HA 1 63 ALA H . . 4.300 3.550 3.199 3.862 . 0 0 "[ . 1 . 2 . 3]" 1
1077 1 60 GLN HA 1 63 ALA MB . . 3.400 2.493 2.252 2.782 . 0 0 "[ . 1 . 2 . 3]" 1
1078 1 60 GLN QB 1 61 ILE H . . 4.080 2.763 2.208 3.539 . 0 0 "[ . 1 . 2 . 3]" 1
1079 1 60 GLN HB2 1 61 ILE H . . 4.900 3.048 2.240 4.315 . 0 0 "[ . 1 . 2 . 3]" 1
1080 1 60 GLN HB3 1 61 ILE H . . 4.900 3.630 3.338 3.773 . 0 0 "[ . 1 . 2 . 3]" 1
1081 1 60 GLN QG 1 63 ALA MB . . 7.880 4.406 4.172 4.795 . 0 0 "[ . 1 . 2 . 3]" 1
1082 1 60 GLN HG2 1 61 ILE H . . 4.200 3.650 2.311 4.289 0.089 6 0 "[ . 1 . 2 . 3]" 1
1083 1 60 GLN HG3 1 61 ILE H . . 4.200 3.909 3.029 4.268 0.068 28 0 "[ . 1 . 2 . 3]" 1
1084 1 61 ILE H 1 61 ILE HB . . 3.000 2.420 2.338 2.559 . 0 0 "[ . 1 . 2 . 3]" 1
1085 1 61 ILE H 1 61 ILE MD . . 4.700 2.308 2.077 3.930 . 0 0 "[ . 1 . 2 . 3]" 1
1086 1 61 ILE H 1 61 ILE QG . . 4.480 3.250 2.263 3.438 . 0 0 "[ . 1 . 2 . 3]" 1
1087 1 61 ILE H 1 62 GLU H . . 3.500 2.691 2.444 2.914 . 0 0 "[ . 1 . 2 . 3]" 1
1088 1 61 ILE H 1 63 ALA H . . 4.500 4.156 3.919 4.301 . 0 0 "[ . 1 . 2 . 3]" 1
1089 1 61 ILE HA 1 61 ILE MD . . 3.900 3.214 3.029 3.306 . 0 0 "[ . 1 . 2 . 3]" 1
1090 1 61 ILE HA 1 61 ILE HG12 . . 3.400 3.323 2.190 3.442 0.042 22 0 "[ . 1 . 2 . 3]" 1
1091 1 61 ILE HA 1 61 ILE HG13 . . 3.400 2.280 2.159 3.321 . 0 0 "[ . 1 . 2 . 3]" 1
1092 1 61 ILE HA 1 61 ILE MG . . 3.600 2.497 2.351 2.614 . 0 0 "[ . 1 . 2 . 3]" 1
1093 1 61 ILE HA 1 64 MET H . . 4.400 3.240 3.143 3.373 . 0 0 "[ . 1 . 2 . 3]" 1
1094 1 61 ILE HA 1 64 MET HG2 . . 6.000 2.277 2.175 2.432 . 0 0 "[ . 1 . 2 . 3]" 1
1095 1 61 ILE HA 1 64 MET HG3 . . 6.000 2.763 2.526 3.053 . 0 0 "[ . 1 . 2 . 3]" 1
1096 1 61 ILE HA 1 65 GLY H . . 5.200 5.208 5.037 5.238 0.038 26 0 "[ . 1 . 2 . 3]" 1
1097 1 61 ILE HB 1 61 ILE MD . . 3.400 2.225 2.140 2.781 . 0 0 "[ . 1 . 2 . 3]" 1
1098 1 61 ILE HB 1 62 GLU H . . 3.300 2.893 2.652 3.246 . 0 0 "[ . 1 . 2 . 3]" 1
1099 1 61 ILE MG 1 62 GLU H . . 6.100 3.339 3.177 3.628 . 0 0 "[ . 1 . 2 . 3]" 1
1100 1 61 ILE MG 1 64 MET QG . . 5.480 3.381 3.207 3.644 . 0 0 "[ . 1 . 2 . 3]" 1
1101 1 61 ILE MG 1 66 PHE HB2 . . 5.400 3.380 2.740 3.683 . 0 0 "[ . 1 . 2 . 3]" 1
1102 1 61 ILE MG 1 66 PHE QB . . 5.230 3.269 2.676 3.527 . 0 0 "[ . 1 . 2 . 3]" 1
1103 1 61 ILE MG 1 66 PHE HB3 . . 5.400 4.349 3.753 4.517 . 0 0 "[ . 1 . 2 . 3]" 1
1104 1 61 ILE MG 1 66 PHE QE . . 8.300 5.910 5.142 6.175 . 0 0 "[ . 1 . 2 . 3]" 1
1105 1 62 GLU H 1 62 GLU HB2 . . 3.800 2.571 2.244 2.703 . 0 0 "[ . 1 . 2 . 3]" 1
1106 1 62 GLU H 1 62 GLU QB . . 3.400 2.519 2.220 2.637 . 0 0 "[ . 1 . 2 . 3]" 1
1107 1 62 GLU H 1 62 GLU HB3 . . 3.800 3.634 3.521 3.689 . 0 0 "[ . 1 . 2 . 3]" 1
1108 1 62 GLU H 1 62 GLU HG2 . . 4.000 3.278 2.344 4.039 0.039 11 0 "[ . 1 . 2 . 3]" 1
1109 1 62 GLU H 1 62 GLU QG . . 3.610 2.311 2.032 2.954 . 0 0 "[ . 1 . 2 . 3]" 1
1110 1 62 GLU H 1 62 GLU HG3 . . 4.000 2.394 2.059 3.041 . 0 0 "[ . 1 . 2 . 3]" 1
1111 1 62 GLU H 1 63 ALA H . . 3.500 2.653 2.409 2.698 . 0 0 "[ . 1 . 2 . 3]" 1
1112 1 62 GLU H 1 63 ALA HA . . 5.300 5.286 5.051 5.325 0.025 22 0 "[ . 1 . 2 . 3]" 1
1113 1 62 GLU H 1 63 ALA MB . . 5.000 4.190 4.057 4.208 . 0 0 "[ . 1 . 2 . 3]" 1
1114 1 62 GLU H 1 68 ALA H . . 5.400 4.773 4.325 5.220 . 0 0 "[ . 1 . 2 . 3]" 1
1115 1 62 GLU H 1 68 ALA MB . . 6.900 3.513 3.124 4.340 . 0 0 "[ . 1 . 2 . 3]" 1
1116 1 62 GLU HA 1 62 GLU HG2 . . 3.400 2.390 2.137 2.648 . 0 0 "[ . 1 . 2 . 3]" 1
1117 1 62 GLU HA 1 62 GLU QG . . 3.080 2.291 2.110 2.521 . 0 0 "[ . 1 . 2 . 3]" 1
1118 1 62 GLU HA 1 62 GLU HG3 . . 3.400 3.092 2.397 3.491 0.091 6 0 "[ . 1 . 2 . 3]" 1
1119 1 62 GLU HA 1 65 GLY H . . 4.300 3.881 3.579 4.116 . 0 0 "[ . 1 . 2 . 3]" 1
1120 1 62 GLU HA 1 66 PHE H . . 4.300 3.930 3.145 4.326 0.026 5 0 "[ . 1 . 2 . 3]" 1
1121 1 62 GLU HA 1 68 ALA H . . 2.900 2.973 2.909 3.043 0.143 22 0 "[ . 1 . 2 . 3]" 1
1122 1 62 GLU QB 1 63 ALA H . . 3.920 2.386 2.254 2.563 . 0 0 "[ . 1 . 2 . 3]" 1
1123 1 62 GLU HB2 1 63 ALA H . . 4.400 2.436 2.289 2.645 . 0 0 "[ . 1 . 2 . 3]" 1
1124 1 62 GLU HB3 1 63 ALA H . . 4.400 3.458 3.065 3.656 . 0 0 "[ . 1 . 2 . 3]" 1
1125 1 62 GLU QG 1 68 ALA H . . 5.040 2.016 1.861 2.641 . 0 0 "[ . 1 . 2 . 3]" 1
1126 1 62 GLU QG 1 68 ALA MB . . 4.780 2.216 1.977 2.840 . 0 0 "[ . 1 . 2 . 3]" 1
1127 1 62 GLU HG2 1 68 ALA H . . 5.500 2.058 1.973 2.677 . 0 0 "[ . 1 . 2 . 3]" 1
1128 1 62 GLU HG2 1 68 ALA MB . . 5.100 2.482 2.022 3.904 . 0 0 "[ . 1 . 2 . 3]" 1
1129 1 62 GLU HG3 1 68 ALA H . . 5.500 3.420 1.984 4.033 . 0 0 "[ . 1 . 2 . 3]" 1
1130 1 62 GLU HG3 1 68 ALA MB . . 5.100 2.871 2.203 4.007 . 0 0 "[ . 1 . 2 . 3]" 1
1131 1 63 ALA H 1 63 ALA MB . . 3.400 2.155 2.109 2.218 . 0 0 "[ . 1 . 2 . 3]" 1
1132 1 63 ALA H 1 64 MET H . . 3.600 2.943 2.876 2.976 . 0 0 "[ . 1 . 2 . 3]" 1
1133 1 63 ALA HA 1 65 GLY H . . 4.400 3.673 3.432 3.826 . 0 0 "[ . 1 . 2 . 3]" 1
1134 1 63 ALA MB 1 64 MET H . . 3.700 3.027 2.801 3.091 . 0 0 "[ . 1 . 2 . 3]" 1
1135 1 63 ALA MB 1 64 MET QB . . 7.880 4.784 4.692 4.834 . 0 0 "[ . 1 . 2 . 3]" 1
1136 1 63 ALA MB 1 64 MET QG . . 7.880 3.887 3.627 4.127 . 0 0 "[ . 1 . 2 . 3]" 1
1137 1 64 MET H 1 64 MET HB2 . . 3.600 2.556 2.490 2.639 . 0 0 "[ . 1 . 2 . 3]" 1
1138 1 64 MET H 1 64 MET QB . . 3.390 2.507 2.448 2.579 . 0 0 "[ . 1 . 2 . 3]" 1
1139 1 64 MET H 1 64 MET HB3 . . 3.600 3.624 3.613 3.635 0.035 14 0 "[ . 1 . 2 . 3]" 1
1140 1 64 MET H 1 64 MET HG2 . . 3.900 2.229 2.124 2.377 . 0 0 "[ . 1 . 2 . 3]" 1
1141 1 64 MET H 1 64 MET QG . . 3.650 2.209 2.109 2.351 . 0 0 "[ . 1 . 2 . 3]" 1
1142 1 64 MET H 1 64 MET HG3 . . 3.900 3.621 3.522 3.723 . 0 0 "[ . 1 . 2 . 3]" 1
1143 1 64 MET H 1 65 GLY H . . 3.300 2.572 2.435 2.842 . 0 0 "[ . 1 . 2 . 3]" 1
1144 1 64 MET H 1 66 PHE H . . 6.000 4.182 3.914 4.622 . 0 0 "[ . 1 . 2 . 3]" 1
1145 1 64 MET HA 1 64 MET HG2 . . 4.000 3.098 2.971 3.233 . 0 0 "[ . 1 . 2 . 3]" 1
1146 1 64 MET HA 1 64 MET QG . . 3.430 2.968 2.868 3.074 . 0 0 "[ . 1 . 2 . 3]" 1
1147 1 64 MET HA 1 64 MET HG3 . . 4.000 3.807 3.762 3.849 . 0 0 "[ . 1 . 2 . 3]" 1
1148 1 64 MET HB2 1 66 PHE QD . . 6.500 3.075 2.611 3.794 . 0 0 "[ . 1 . 2 . 3]" 1
1149 1 64 MET HB2 1 66 PHE QE . . 8.000 4.739 4.097 5.411 . 0 0 "[ . 1 . 2 . 3]" 1
1150 1 64 MET HB3 1 66 PHE QD . . 6.500 3.535 2.986 4.345 . 0 0 "[ . 1 . 2 . 3]" 1
1151 1 64 MET HB3 1 66 PHE QE . . 8.000 4.269 3.600 5.216 . 0 0 "[ . 1 . 2 . 3]" 1
1152 1 65 GLY H 1 66 PHE H . . 3.500 2.297 2.026 2.625 . 0 0 "[ . 1 . 2 . 3]" 1
1153 1 65 GLY H 1 66 PHE QB . . 6.080 4.187 3.749 4.479 . 0 0 "[ . 1 . 2 . 3]" 1
1154 1 66 PHE H 1 66 PHE QB . . 3.750 2.500 2.285 2.746 . 0 0 "[ . 1 . 2 . 3]" 1
1155 1 66 PHE HA 1 66 PHE QE . . 4.900 4.386 4.333 4.412 . 0 0 "[ . 1 . 2 . 3]" 1
1156 1 66 PHE HA 1 67 PRO HD2 . . 3.300 2.238 2.187 2.323 . 0 0 "[ . 1 . 2 . 3]" 1
1157 1 66 PHE HA 1 67 PRO QD . . 3.030 2.100 2.075 2.156 . 0 0 "[ . 1 . 2 . 3]" 1
1158 1 66 PHE HA 1 67 PRO HD3 . . 3.300 2.551 2.415 2.679 . 0 0 "[ . 1 . 2 . 3]" 1
1159 1 67 PRO HA 1 68 ALA H . . 2.900 2.220 2.153 2.264 . 0 0 "[ . 1 . 2 . 3]" 1
1160 1 67 PRO HA 1 68 ALA MB . . 4.800 3.984 3.885 4.027 . 0 0 "[ . 1 . 2 . 3]" 1
1161 1 67 PRO HB2 1 68 ALA H . . 4.400 3.861 3.373 4.149 . 0 0 "[ . 1 . 2 . 3]" 1
1162 1 67 PRO HB3 1 68 ALA H . . 4.400 4.259 3.955 4.426 0.026 23 0 "[ . 1 . 2 . 3]" 1
1163 1 68 ALA H 1 68 ALA MB . . 3.400 2.405 2.249 2.599 . 0 0 "[ . 1 . 2 . 3]" 1
1164 1 68 ALA H 1 69 PHE HA . . 4.800 4.867 4.810 4.915 0.115 27 0 "[ . 1 . 2 . 3]" 1
1165 1 68 ALA HA 1 69 PHE H . . 2.900 2.709 2.484 2.895 . 0 0 "[ . 1 . 2 . 3]" 1
1166 1 68 ALA HA 1 69 PHE QD . . 8.000 4.861 3.759 5.597 . 0 0 "[ . 1 . 2 . 3]" 1
1167 1 68 ALA MB 1 69 PHE H . . 3.600 2.168 2.025 2.410 . 0 0 "[ . 1 . 2 . 3]" 1
1168 1 69 PHE HA 1 71 LYS H . . 6.000 6.068 6.037 6.104 0.104 27 0 "[ . 1 . 2 . 3]" 1
1169 1 70 VAL H 1 70 VAL HB . . 3.300 2.748 2.171 3.399 0.099 25 0 "[ . 1 . 2 . 3]" 1
1170 1 70 VAL H 1 70 VAL MG1 . . 4.800 2.651 1.861 3.738 . 0 0 "[ . 1 . 2 . 3]" 1
1171 1 70 VAL H 1 70 VAL QG . . 3.950 2.391 1.840 2.981 . 0 0 "[ . 1 . 2 . 3]" 1
1172 1 70 VAL H 1 70 VAL MG2 . . 4.800 3.570 1.850 3.959 . 0 0 "[ . 1 . 2 . 3]" 1
1173 1 70 VAL HA 1 70 VAL MG1 . . 3.600 2.966 2.170 3.146 . 0 0 "[ . 1 . 2 . 3]" 1
1174 1 70 VAL HA 1 70 VAL MG2 . . 3.600 2.274 2.091 3.119 . 0 0 "[ . 1 . 2 . 3]" 1
1175 1 70 VAL HA 1 71 LYS H . . 3.200 2.167 2.098 2.242 . 0 0 "[ . 1 . 2 . 3]" 1
1176 1 70 VAL HA 1 71 LYS QG . . 6.880 3.970 3.608 4.476 . 0 0 "[ . 1 . 2 . 3]" 1
1177 1 70 VAL QG 1 71 LYS H . . 5.660 2.734 2.423 3.395 . 0 0 "[ . 1 . 2 . 3]" 1
1178 1 70 VAL QG 1 72 LYS H . . 7.760 3.574 3.012 4.600 . 0 0 "[ . 1 . 2 . 3]" 1
1179 1 70 VAL QG 1 72 LYS HA . . 8.560 3.757 3.050 5.582 . 0 0 "[ . 1 . 2 . 3]" 1
1180 1 70 VAL MG1 1 71 LYS H . . 6.300 3.522 2.748 4.213 . 0 0 "[ . 1 . 2 . 3]" 1
1181 1 70 VAL MG2 1 71 LYS H . . 6.300 3.063 2.453 4.337 . 0 0 "[ . 1 . 2 . 3]" 1
1182 1 71 LYS H 1 71 LYS HB2 . . 4.000 2.520 2.357 2.685 . 0 0 "[ . 1 . 2 . 3]" 1
1183 1 71 LYS H 1 71 LYS QB . . 3.800 2.479 2.328 2.631 . 0 0 "[ . 1 . 2 . 3]" 1
1184 1 71 LYS H 1 71 LYS HB3 . . 4.000 3.685 3.609 3.772 . 0 0 "[ . 1 . 2 . 3]" 1
1185 1 71 LYS H 1 71 LYS HG2 . . 5.200 3.625 3.034 4.177 . 0 0 "[ . 1 . 2 . 3]" 1
1186 1 71 LYS H 1 71 LYS QG . . 4.740 2.671 2.273 3.125 . 0 0 "[ . 1 . 2 . 3]" 1
1187 1 71 LYS H 1 71 LYS HG3 . . 5.200 2.764 2.319 3.231 . 0 0 "[ . 1 . 2 . 3]" 1
1188 1 71 LYS H 1 72 LYS H . . 3.900 2.919 2.322 3.875 . 0 0 "[ . 1 . 2 . 3]" 1
1189 1 71 LYS HA 1 71 LYS QD . . 4.500 3.964 3.389 4.065 . 0 0 "[ . 1 . 2 . 3]" 1
1190 1 71 LYS HA 1 71 LYS HG2 . . 3.600 2.368 2.171 2.651 . 0 0 "[ . 1 . 2 . 3]" 1
1191 1 71 LYS HA 1 71 LYS QG . . 3.390 2.277 2.136 2.393 . 0 0 "[ . 1 . 2 . 3]" 1
1192 1 71 LYS HA 1 71 LYS HG3 . . 3.600 3.098 2.509 3.461 . 0 0 "[ . 1 . 2 . 3]" 1
1193 1 71 LYS QB 1 72 LYS H . . 3.710 2.190 1.933 2.494 . 0 0 "[ . 1 . 2 . 3]" 1
1194 1 71 LYS HB2 1 72 LYS H . . 4.100 2.266 2.072 2.584 . 0 0 "[ . 1 . 2 . 3]" 1
1195 1 71 LYS HB3 1 72 LYS H . . 4.100 2.968 2.155 3.440 . 0 0 "[ . 1 . 2 . 3]" 1
1196 1 71 LYS QG 1 72 LYS H . . 6.280 4.047 3.868 4.293 . 0 0 "[ . 1 . 2 . 3]" 1
1197 1 72 LYS H 1 73 ILE H . . 4.700 4.351 3.459 4.650 . 0 0 "[ . 1 . 2 . 3]" 1
1198 1 72 LYS HA 1 73 ILE H . . 3.000 2.378 2.136 2.692 . 0 0 "[ . 1 . 2 . 3]" 1
1199 1 72 LYS HA 1 73 ILE MG . . 5.300 3.466 2.738 4.414 . 0 0 "[ . 1 . 2 . 3]" 1
1200 1 72 LYS QB 1 73 ILE H . . 4.800 3.022 2.241 4.049 . 0 0 "[ . 1 . 2 . 3]" 1
1201 1 72 LYS QD 1 73 ILE H . . 7.000 4.112 1.962 5.014 . 0 0 "[ . 1 . 2 . 3]" 1
1202 1 72 LYS QE 1 73 ILE H . . 7.000 4.199 2.375 5.924 . 0 0 "[ . 1 . 2 . 3]" 1
1203 1 72 LYS QG 1 73 ILE H . . 6.700 2.993 1.946 4.496 . 0 0 "[ . 1 . 2 . 3]" 1
1204 1 73 ILE H 1 73 ILE HG12 . . 5.200 4.430 2.448 5.067 . 0 0 "[ . 1 . 2 . 3]" 1
1205 1 73 ILE H 1 73 ILE QG . . 4.640 3.764 2.042 4.225 . 0 0 "[ . 1 . 2 . 3]" 1
1206 1 73 ILE H 1 73 ILE HG13 . . 5.200 4.170 2.187 5.165 . 0 0 "[ . 1 . 2 . 3]" 1
1207 1 73 ILE HA 1 73 ILE HG12 . . 3.900 3.289 2.293 4.008 0.108 28 0 "[ . 1 . 2 . 3]" 1
1208 1 73 ILE HA 1 73 ILE QG . . 3.550 2.732 2.133 3.250 . 0 0 "[ . 1 . 2 . 3]" 1
1209 1 73 ILE HA 1 73 ILE HG13 . . 3.900 3.185 2.177 3.721 . 0 0 "[ . 1 . 2 . 3]" 1
1210 1 73 ILE HA 1 73 ILE MG . . 3.700 2.947 1.993 3.189 . 0 0 "[ . 1 . 2 . 3]" 1
1211 1 73 ILE HA 1 74 GLU H . . 3.200 2.425 2.191 2.781 . 0 0 "[ . 1 . 2 . 3]" 1
1212 1 73 ILE HB 1 73 ILE MD . . 3.700 2.520 2.125 3.177 . 0 0 "[ . 1 . 2 . 3]" 1
1213 1 73 ILE MG 1 74 GLU H . . 5.600 3.822 2.552 4.449 . 0 0 "[ . 1 . 2 . 3]" 1
1214 1 73 ILE MG 1 74 GLU HA . . 6.000 4.493 3.950 5.092 . 0 0 "[ . 1 . 2 . 3]" 1
1215 1 74 GLU H 1 74 GLU QB . . 3.910 2.834 2.054 3.394 . 0 0 "[ . 1 . 2 . 3]" 1
1216 1 74 GLU HA 1 75 GLY QA . . 6.380 3.973 3.753 4.177 . 0 0 "[ . 1 . 2 . 3]" 1
1217 1 74 GLU QB 1 75 GLY QA . . 5.450 3.943 3.469 4.321 . 0 0 "[ . 1 . 2 . 3]" 1
1218 1 75 GLY H 1 76 ARG H . . 5.900 3.999 2.598 4.650 . 0 0 "[ . 1 . 2 . 3]" 1
1219 1 76 ARG H 1 76 ARG HB2 . . 4.200 3.113 2.240 4.024 . 0 0 "[ . 1 . 2 . 3]" 1
1220 1 76 ARG H 1 76 ARG QB . . 3.860 2.790 2.126 3.380 . 0 0 "[ . 1 . 2 . 3]" 1
1221 1 76 ARG H 1 76 ARG HB3 . . 4.200 3.330 2.514 4.173 . 0 0 "[ . 1 . 2 . 3]" 1
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