NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
392975 |
1q8l   |
6022 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1q8l
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 753
_Distance_constraint_stats_list.Viol_count 1912
_Distance_constraint_stats_list.Viol_total 1664.131
_Distance_constraint_stats_list.Viol_max 0.198
_Distance_constraint_stats_list.Viol_rms 0.0181
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0055
_Distance_constraint_stats_list.Viol_average_violations_only 0.0435
_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 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 GLU 0.939 0.077 2 0 "[ . 1 . 2]"
1 9 VAL 0.703 0.058 4 0 "[ . 1 . 2]"
1 10 VAL 0.230 0.044 11 0 "[ . 1 . 2]"
1 11 LEU 0.387 0.107 14 0 "[ . 1 . 2]"
1 12 LYS 0.107 0.107 14 0 "[ . 1 . 2]"
1 13 MET 2.327 0.142 7 0 "[ . 1 . 2]"
1 14 LYS 4.226 0.142 7 0 "[ . 1 . 2]"
1 15 VAL 1.523 0.123 17 0 "[ . 1 . 2]"
1 16 GLU 0.475 0.072 15 0 "[ . 1 . 2]"
1 17 GLY 1.910 0.108 14 0 "[ . 1 . 2]"
1 18 MET 0.657 0.072 15 0 "[ . 1 . 2]"
1 19 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 CYS 0.775 0.091 14 0 "[ . 1 . 2]"
1 21 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 CYS 0.216 0.078 6 0 "[ . 1 . 2]"
1 24 THR 0.632 0.148 1 0 "[ . 1 . 2]"
1 25 SER 0.124 0.040 14 0 "[ . 1 . 2]"
1 26 THR 0.805 0.072 8 0 "[ . 1 . 2]"
1 27 ILE 0.626 0.065 4 0 "[ . 1 . 2]"
1 28 GLU 2.237 0.073 6 0 "[ . 1 . 2]"
1 29 GLY 1.397 0.073 6 0 "[ . 1 . 2]"
1 30 LYS 0.945 0.060 7 0 "[ . 1 . 2]"
1 31 ILE 1.604 0.109 14 0 "[ . 1 . 2]"
1 32 GLY 3.063 0.159 3 0 "[ . 1 . 2]"
1 33 LYS 5.350 0.122 3 0 "[ . 1 . 2]"
1 34 LEU 6.625 0.198 7 0 "[ . 1 . 2]"
1 35 GLN 1.257 0.083 17 0 "[ . 1 . 2]"
1 36 GLY 2.057 0.124 14 0 "[ . 1 . 2]"
1 37 VAL 3.429 0.198 7 0 "[ . 1 . 2]"
1 38 GLN 3.273 0.170 7 0 "[ . 1 . 2]"
1 39 ARG 3.223 0.170 7 0 "[ . 1 . 2]"
1 40 ILE 1.010 0.072 6 0 "[ . 1 . 2]"
1 41 LYS 1.150 0.093 14 0 "[ . 1 . 2]"
1 42 VAL 0.458 0.059 20 0 "[ . 1 . 2]"
1 43 SER 2.132 0.090 14 0 "[ . 1 . 2]"
1 44 LEU 0.876 0.089 16 0 "[ . 1 . 2]"
1 46 ASN 0.042 0.021 1 0 "[ . 1 . 2]"
1 47 GLN 1.386 0.082 2 0 "[ . 1 . 2]"
1 48 GLU 1.287 0.082 2 0 "[ . 1 . 2]"
1 49 ALA 2.264 0.111 5 0 "[ . 1 . 2]"
1 50 THR 2.089 0.102 18 0 "[ . 1 . 2]"
1 51 ILE 0.227 0.044 5 0 "[ . 1 . 2]"
1 52 VAL 2.427 0.067 16 0 "[ . 1 . 2]"
1 53 TYR 1.076 0.067 10 0 "[ . 1 . 2]"
1 54 GLN 1.085 0.084 16 0 "[ . 1 . 2]"
1 55 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 HIS 0.918 0.097 1 0 "[ . 1 . 2]"
1 57 LEU 1.721 0.087 1 0 "[ . 1 . 2]"
1 58 ILE 2.960 0.145 2 0 "[ . 1 . 2]"
1 59 SER 1.420 0.145 2 0 "[ . 1 . 2]"
1 60 VAL 2.344 0.096 3 0 "[ . 1 . 2]"
1 61 GLU 2.913 0.080 6 0 "[ . 1 . 2]"
1 62 GLU 2.316 0.065 15 0 "[ . 1 . 2]"
1 63 MET 5.078 0.119 5 0 "[ . 1 . 2]"
1 64 LYS 0.749 0.080 6 0 "[ . 1 . 2]"
1 65 LYS 3.456 0.070 7 0 "[ . 1 . 2]"
1 66 GLN 4.828 0.079 12 0 "[ . 1 . 2]"
1 67 ILE 2.488 0.109 11 0 "[ . 1 . 2]"
1 68 GLU 4.422 0.105 3 0 "[ . 1 . 2]"
1 69 ALA 2.391 0.105 3 0 "[ . 1 . 2]"
1 70 MET 4.228 0.100 16 0 "[ . 1 . 2]"
1 71 GLY 1.914 0.082 16 0 "[ . 1 . 2]"
1 72 PHE 1.224 0.078 6 0 "[ . 1 . 2]"
1 73 PRO 0.071 0.021 11 0 "[ . 1 . 2]"
1 74 ALA 0.071 0.021 11 0 "[ . 1 . 2]"
1 75 PHE 2.597 0.123 17 0 "[ . 1 . 2]"
1 76 VAL 0.333 0.077 4 0 "[ . 1 . 2]"
1 77 LYS 0.079 0.034 19 0 "[ . 1 . 2]"
1 78 LYS 1.040 0.156 6 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 7 GLY HA2 1 8 GLU H . . 3.640 2.835 2.129 3.504 . 0 0 "[ . 1 . 2]" 1
2 1 7 GLY HA3 1 8 GLU H . . 3.640 2.978 2.104 3.524 . 0 0 "[ . 1 . 2]" 1
3 1 8 GLU H 1 8 GLU HB2 . . 4.110 3.870 3.561 3.989 . 0 0 "[ . 1 . 2]" 1
4 1 8 GLU H 1 8 GLU HB3 . . 3.270 3.085 2.659 3.347 0.077 2 0 "[ . 1 . 2]" 1
5 1 8 GLU HA 1 8 GLU HB2 . . 2.620 2.481 2.287 2.634 0.014 8 0 "[ . 1 . 2]" 1
6 1 8 GLU HA 1 9 VAL H . . 2.400 2.360 2.079 2.458 0.058 4 0 "[ . 1 . 2]" 1
7 1 8 GLU HA 1 53 TYR H . . 5.500 4.693 3.790 5.538 0.038 16 0 "[ . 1 . 2]" 1
8 1 8 GLU HA 1 54 GLN QB . . 4.890 4.152 3.732 4.428 . 0 0 "[ . 1 . 2]" 1
9 1 8 GLU HA 1 55 PRO QD . . 4.950 2.290 1.993 3.232 . 0 0 "[ . 1 . 2]" 1
10 1 8 GLU HB2 1 9 VAL H . . 3.330 2.366 1.856 3.354 0.024 19 0 "[ . 1 . 2]" 1
11 1 8 GLU QG 1 54 GLN HA . . 6.380 4.982 4.261 5.572 . 0 0 "[ . 1 . 2]" 1
12 1 9 VAL H 1 9 VAL MG1 . . 4.700 3.009 2.246 3.343 . 0 0 "[ . 1 . 2]" 1
13 1 9 VAL H 1 9 VAL MG2 . . 4.730 2.152 1.803 2.433 . 0 0 "[ . 1 . 2]" 1
14 1 9 VAL H 1 53 TYR H . . 3.450 2.961 2.434 3.488 0.038 6 0 "[ . 1 . 2]" 1
15 1 9 VAL HA 1 10 VAL H . . 2.560 2.133 2.051 2.284 . 0 0 "[ . 1 . 2]" 1
16 1 9 VAL MG1 1 53 TYR QE . . 8.660 4.306 4.107 4.544 . 0 0 "[ . 1 . 2]" 1
17 1 9 VAL MG2 1 53 TYR HB2 . . 4.920 4.160 4.120 4.184 . 0 0 "[ . 1 . 2]" 1
18 1 9 VAL MG2 1 53 TYR QD . . 5.630 2.878 2.819 2.940 . 0 0 "[ . 1 . 2]" 1
19 1 9 VAL MG2 1 53 TYR QE . . 5.870 2.582 2.519 2.679 . 0 0 "[ . 1 . 2]" 1
20 1 9 VAL MG2 1 54 GLN H . . 5.380 4.396 4.185 4.490 . 0 0 "[ . 1 . 2]" 1
21 1 10 VAL H 1 10 VAL HB . . 4.110 3.739 3.630 3.905 . 0 0 "[ . 1 . 2]" 1
22 1 10 VAL H 1 10 VAL MG1 . . 4.170 2.667 2.290 3.003 . 0 0 "[ . 1 . 2]" 1
23 1 10 VAL H 1 10 VAL MG2 . . 4.360 2.016 1.855 2.363 . 0 0 "[ . 1 . 2]" 1
24 1 10 VAL HA 1 11 LEU H . . 2.490 2.369 2.104 2.534 0.044 11 0 "[ . 1 . 2]" 1
25 1 10 VAL HA 1 52 VAL HA . . 5.500 2.607 2.183 3.123 . 0 0 "[ . 1 . 2]" 1
26 1 10 VAL HA 1 52 VAL MG2 . . 6.530 2.378 1.979 3.226 . 0 0 "[ . 1 . 2]" 1
27 1 10 VAL HA 1 53 TYR H . . 4.940 3.985 3.480 4.417 . 0 0 "[ . 1 . 2]" 1
28 1 10 VAL MG2 1 50 THR MG . . 6.630 4.535 4.256 4.646 . 0 0 "[ . 1 . 2]" 1
29 1 11 LEU H 1 11 LEU MD1 . . 4.850 3.377 2.003 4.034 . 0 0 "[ . 1 . 2]" 1
30 1 11 LEU H 1 11 LEU QD . . 4.380 2.616 1.996 3.473 . 0 0 "[ . 1 . 2]" 1
31 1 11 LEU H 1 11 LEU MD2 . . 4.850 3.161 2.054 4.076 . 0 0 "[ . 1 . 2]" 1
32 1 11 LEU H 1 11 LEU HG . . 4.540 3.128 1.929 4.419 . 0 0 "[ . 1 . 2]" 1
33 1 11 LEU H 1 52 VAL HA . . 4.200 3.569 2.931 4.251 0.051 14 0 "[ . 1 . 2]" 1
34 1 11 LEU H 1 53 TYR QE . . 7.630 3.729 3.254 4.692 . 0 0 "[ . 1 . 2]" 1
35 1 11 LEU HA 1 11 LEU HG . . 4.230 3.226 2.412 3.797 . 0 0 "[ . 1 . 2]" 1
36 1 11 LEU HA 1 12 LYS H . . 3.240 2.211 2.069 3.347 0.107 14 0 "[ . 1 . 2]" 1
37 1 11 LEU QB 1 53 TYR QD . . 8.520 4.505 3.495 6.026 . 0 0 "[ . 1 . 2]" 1
38 1 11 LEU QB 1 53 TYR QE . . 6.710 2.876 2.097 4.646 . 0 0 "[ . 1 . 2]" 1
39 1 11 LEU QD 1 53 TYR QD . . 7.350 3.890 3.120 4.705 . 0 0 "[ . 1 . 2]" 1
40 1 11 LEU QD 1 53 TYR QE . . 7.500 2.371 1.864 2.934 . 0 0 "[ . 1 . 2]" 1
41 1 11 LEU QD 1 78 LYS H . . 8.100 4.877 3.519 5.923 . 0 0 "[ . 1 . 2]" 1
42 1 11 LEU HG 1 53 TYR QD . . 7.640 5.236 3.219 6.797 . 0 0 "[ . 1 . 2]" 1
43 1 11 LEU HG 1 53 TYR QE . . 6.640 3.433 2.114 4.856 . 0 0 "[ . 1 . 2]" 1
44 1 12 LYS H 1 50 THR MG . . 5.290 4.045 3.566 4.176 . 0 0 "[ . 1 . 2]" 1
45 1 12 LYS HA 1 12 LYS QD . . 4.110 3.229 2.031 3.801 . 0 0 "[ . 1 . 2]" 1
46 1 12 LYS HA 1 12 LYS QE . . 5.880 4.326 3.015 5.106 . 0 0 "[ . 1 . 2]" 1
47 1 12 LYS HA 1 13 MET H . . 2.650 2.125 2.045 2.337 . 0 0 "[ . 1 . 2]" 1
48 1 12 LYS HA 1 13 MET QB . . 5.010 4.374 4.207 4.482 . 0 0 "[ . 1 . 2]" 1
49 1 12 LYS HA 1 50 THR HA . . 3.730 2.411 2.064 2.903 . 0 0 "[ . 1 . 2]" 1
50 1 12 LYS HA 1 50 THR MG . . 6.530 2.534 2.168 3.130 . 0 0 "[ . 1 . 2]" 1
51 1 12 LYS QD 1 50 THR MG . . 7.400 2.861 1.788 4.489 . 0 0 "[ . 1 . 2]" 1
52 1 12 LYS QG 1 50 THR MG . . 5.670 2.742 1.930 4.075 . 0 0 "[ . 1 . 2]" 1
53 1 13 MET H 1 13 MET QB . . 3.580 2.548 2.170 2.819 . 0 0 "[ . 1 . 2]" 1
54 1 13 MET H 1 13 MET ME . . 6.530 3.648 2.515 5.113 . 0 0 "[ . 1 . 2]" 1
55 1 13 MET H 1 49 ALA H . . 4.200 4.250 4.197 4.311 0.111 5 0 "[ . 1 . 2]" 1
56 1 13 MET H 1 49 ALA MB . . 6.060 3.873 3.366 4.165 . 0 0 "[ . 1 . 2]" 1
57 1 13 MET H 1 50 THR HA . . 4.290 3.076 2.610 3.686 . 0 0 "[ . 1 . 2]" 1
58 1 13 MET HA 1 14 LYS H . . 2.400 2.155 1.915 2.264 . 0 0 "[ . 1 . 2]" 1
59 1 13 MET HA 1 76 VAL HA . . 3.950 2.389 2.037 2.962 . 0 0 "[ . 1 . 2]" 1
60 1 13 MET HA 1 77 LYS H . . 4.290 3.606 2.617 4.324 0.034 19 0 "[ . 1 . 2]" 1
61 1 13 MET QB 1 14 LYS HA . . 5.290 4.260 4.157 4.671 . 0 0 "[ . 1 . 2]" 1
62 1 13 MET QB 1 49 ALA H . . 4.360 3.344 3.050 3.812 . 0 0 "[ . 1 . 2]" 1
63 1 13 MET QB 1 49 ALA MB . . 6.780 2.503 1.984 3.134 . 0 0 "[ . 1 . 2]" 1
64 1 13 MET HB2 1 14 LYS H . . 3.920 3.973 3.921 4.062 0.142 7 0 "[ . 1 . 2]" 1
65 1 13 MET HB2 1 49 ALA H . . 4.850 3.522 3.119 4.829 . 0 0 "[ . 1 . 2]" 1
66 1 13 MET HB3 1 14 LYS H . . 3.920 3.191 2.967 4.058 0.138 5 0 "[ . 1 . 2]" 1
67 1 13 MET HB3 1 49 ALA H . . 4.850 4.522 3.146 4.874 0.024 2 0 "[ . 1 . 2]" 1
68 1 13 MET ME 1 49 ALA MB . . 7.560 3.310 1.896 5.107 . 0 0 "[ . 1 . 2]" 1
69 1 13 MET ME 1 53 TYR QE . . 8.660 3.944 3.000 5.679 . 0 0 "[ . 1 . 2]" 1
70 1 13 MET ME 1 60 VAL QG . . 9.120 2.594 1.967 4.322 . 0 0 "[ . 1 . 2]" 1
71 1 13 MET QG 1 76 VAL MG2 . . 6.630 2.489 1.977 3.677 . 0 0 "[ . 1 . 2]" 1
72 1 14 LYS H 1 14 LYS HB2 . . 2.930 2.937 2.794 3.026 0.096 6 0 "[ . 1 . 2]" 1
73 1 14 LYS H 1 14 LYS QB . . 2.630 2.421 2.316 2.475 . 0 0 "[ . 1 . 2]" 1
74 1 14 LYS H 1 14 LYS HB3 . . 2.930 2.582 2.428 2.760 . 0 0 "[ . 1 . 2]" 1
75 1 14 LYS H 1 74 ALA HA . . 5.500 4.270 3.958 4.799 . 0 0 "[ . 1 . 2]" 1
76 1 14 LYS H 1 75 PHE H . . 3.550 3.361 2.760 3.626 0.076 6 0 "[ . 1 . 2]" 1
77 1 14 LYS H 1 75 PHE HB2 . . 5.500 3.593 2.848 4.245 . 0 0 "[ . 1 . 2]" 1
78 1 14 LYS H 1 75 PHE HB3 . . 5.500 4.916 4.260 5.440 . 0 0 "[ . 1 . 2]" 1
79 1 14 LYS H 1 75 PHE QD . . 7.620 4.730 4.164 5.330 . 0 0 "[ . 1 . 2]" 1
80 1 14 LYS H 1 76 VAL HA . . 3.390 3.201 2.097 3.467 0.077 4 0 "[ . 1 . 2]" 1
81 1 14 LYS HA 1 14 LYS HB2 . . 2.870 2.466 2.417 2.612 . 0 0 "[ . 1 . 2]" 1
82 1 14 LYS HA 1 14 LYS HB3 . . 2.870 2.972 2.960 2.986 0.116 6 0 "[ . 1 . 2]" 1
83 1 14 LYS HA 1 15 VAL H . . 2.400 2.230 2.118 2.303 . 0 0 "[ . 1 . 2]" 1
84 1 14 LYS HA 1 48 GLU HA . . 3.110 2.042 1.892 2.270 . 0 0 "[ . 1 . 2]" 1
85 1 14 LYS HA 1 49 ALA H . . 3.640 3.591 3.342 3.700 0.060 18 0 "[ . 1 . 2]" 1
86 1 14 LYS HA 1 49 ALA MB . . 6.160 5.001 4.739 5.067 . 0 0 "[ . 1 . 2]" 1
87 1 14 LYS QB 1 15 VAL H . . 4.490 3.921 3.454 4.015 . 0 0 "[ . 1 . 2]" 1
88 1 14 LYS QB 1 75 PHE H . . 4.760 3.172 2.576 3.597 . 0 0 "[ . 1 . 2]" 1
89 1 14 LYS QB 1 75 PHE HB2 . . 3.530 2.109 1.939 2.257 . 0 0 "[ . 1 . 2]" 1
90 1 14 LYS QB 1 75 PHE QD . . 5.780 2.913 2.172 3.667 . 0 0 "[ . 1 . 2]" 1
91 1 14 LYS QB 1 75 PHE QE . . 7.630 4.986 4.130 5.683 . 0 0 "[ . 1 . 2]" 1
92 1 14 LYS HB2 1 75 PHE HB2 . . 4.070 3.689 3.363 3.935 . 0 0 "[ . 1 . 2]" 1
93 1 14 LYS HB2 1 75 PHE QD . . 6.160 4.470 3.755 5.230 . 0 0 "[ . 1 . 2]" 1
94 1 14 LYS HB3 1 75 PHE HB2 . . 4.070 2.122 1.951 2.272 . 0 0 "[ . 1 . 2]" 1
95 1 14 LYS HB3 1 75 PHE QD . . 6.160 2.955 2.186 3.752 . 0 0 "[ . 1 . 2]" 1
96 1 15 VAL H 1 15 VAL HB . . 3.330 2.109 2.041 2.448 . 0 0 "[ . 1 . 2]" 1
97 1 15 VAL H 1 15 VAL MG1 . . 4.170 3.568 3.541 3.595 . 0 0 "[ . 1 . 2]" 1
98 1 15 VAL H 1 47 GLN QB . . 5.450 3.924 3.521 4.282 . 0 0 "[ . 1 . 2]" 1
99 1 15 VAL H 1 48 GLU HA . . 2.960 2.610 2.229 2.996 0.036 5 0 "[ . 1 . 2]" 1
100 1 15 VAL H 1 49 ALA H . . 4.940 3.335 3.103 4.397 . 0 0 "[ . 1 . 2]" 1
101 1 15 VAL HA 1 15 VAL MG1 . . 3.740 2.821 2.776 2.866 . 0 0 "[ . 1 . 2]" 1
102 1 15 VAL HA 1 16 GLU H . . 2.400 2.347 2.213 2.411 0.011 6 0 "[ . 1 . 2]" 1
103 1 15 VAL HA 1 74 ALA HA . . 3.110 1.944 1.900 2.017 . 0 0 "[ . 1 . 2]" 1
104 1 15 VAL HA 1 74 ALA MB . . 4.950 2.638 2.405 2.835 . 0 0 "[ . 1 . 2]" 1
105 1 15 VAL HA 1 75 PHE H . . 3.300 3.373 3.314 3.423 0.123 17 0 "[ . 1 . 2]" 1
106 1 15 VAL HB 1 16 GLU H . . 4.170 3.901 3.784 3.990 . 0 0 "[ . 1 . 2]" 1
107 1 15 VAL HB 1 74 ALA MB . . 5.260 4.223 3.982 4.305 . 0 0 "[ . 1 . 2]" 1
108 1 15 VAL MG1 1 48 GLU HA . . 6.530 5.107 4.805 5.446 . 0 0 "[ . 1 . 2]" 1
109 1 15 VAL MG1 1 49 ALA H . . 6.160 5.183 5.141 5.219 . 0 0 "[ . 1 . 2]" 1
110 1 15 VAL MG1 1 74 ALA MB . . 6.940 3.876 3.675 4.066 . 0 0 "[ . 1 . 2]" 1
111 1 15 VAL MG2 1 16 GLU H . . 3.990 3.002 2.874 3.140 . 0 0 "[ . 1 . 2]" 1
112 1 15 VAL MG2 1 46 ASN QB . . 7.160 5.295 5.053 5.410 . 0 0 "[ . 1 . 2]" 1
113 1 15 VAL MG2 1 47 GLN QB . . 4.800 3.229 3.129 3.391 . 0 0 "[ . 1 . 2]" 1
114 1 15 VAL MG2 1 67 ILE MG . . 6.560 1.986 1.816 2.400 . 0 0 "[ . 1 . 2]" 1
115 1 15 VAL MG2 1 72 PHE HB2 . . 4.360 3.461 3.424 3.521 . 0 0 "[ . 1 . 2]" 1
116 1 15 VAL MG2 1 72 PHE HB3 . . 5.100 3.001 2.586 3.562 . 0 0 "[ . 1 . 2]" 1
117 1 15 VAL MG2 1 72 PHE QD . . 6.540 3.861 3.594 4.431 . 0 0 "[ . 1 . 2]" 1
118 1 15 VAL MG2 1 72 PHE QE . . 7.690 5.528 5.301 5.872 . 0 0 "[ . 1 . 2]" 1
119 1 16 GLU H 1 16 GLU HG2 . . 4.660 4.412 4.335 4.691 0.031 5 0 "[ . 1 . 2]" 1
120 1 16 GLU H 1 16 GLU QG . . 4.380 3.996 3.966 4.013 . 0 0 "[ . 1 . 2]" 1
121 1 16 GLU H 1 16 GLU HG3 . . 4.660 4.585 4.344 4.669 0.009 10 0 "[ . 1 . 2]" 1
122 1 16 GLU H 1 74 ALA HA . . 4.450 3.603 3.495 3.741 . 0 0 "[ . 1 . 2]" 1
123 1 16 GLU H 1 74 ALA MB . . 5.070 4.051 3.855 4.101 . 0 0 "[ . 1 . 2]" 1
124 1 16 GLU H 1 75 PHE H . . 5.160 5.032 4.721 5.198 0.038 4 0 "[ . 1 . 2]" 1
125 1 16 GLU HA 1 16 GLU HG2 . . 3.760 3.076 2.932 3.731 . 0 0 "[ . 1 . 2]" 1
126 1 16 GLU HA 1 16 GLU QG . . 3.340 2.475 2.204 2.959 . 0 0 "[ . 1 . 2]" 1
127 1 16 GLU HA 1 16 GLU HG3 . . 3.760 2.621 2.227 3.104 . 0 0 "[ . 1 . 2]" 1
128 1 16 GLU HA 1 17 GLY H . . 2.400 2.195 2.129 2.254 . 0 0 "[ . 1 . 2]" 1
129 1 16 GLU HA 1 18 MET H . . 3.760 3.699 3.500 3.832 0.072 15 0 "[ . 1 . 2]" 1
130 1 16 GLU QB 1 73 PRO QD . . 7.250 2.282 2.109 2.825 . 0 0 "[ . 1 . 2]" 1
131 1 16 GLU QB 1 75 PHE QE . . 8.500 3.244 2.310 4.529 . 0 0 "[ . 1 . 2]" 1
132 1 16 GLU QG 1 17 GLY H . . 3.520 2.955 2.385 3.248 . 0 0 "[ . 1 . 2]" 1
133 1 16 GLU QG 1 75 PHE QE . . 7.440 3.900 3.147 5.008 . 0 0 "[ . 1 . 2]" 1
134 1 17 GLY H 1 17 GLY HA2 . . 2.770 2.847 2.805 2.878 0.108 14 0 "[ . 1 . 2]" 1
135 1 17 GLY H 1 17 GLY QA . . 2.440 2.224 2.210 2.241 . 0 0 "[ . 1 . 2]" 1
136 1 17 GLY H 1 17 GLY HA3 . . 2.770 2.322 2.309 2.345 . 0 0 "[ . 1 . 2]" 1
137 1 17 GLY H 1 18 MET H . . 2.900 2.876 2.710 2.955 0.055 17 0 "[ . 1 . 2]" 1
138 1 17 GLY QA 1 24 THR MG . . 5.200 3.670 3.545 3.888 . 0 0 "[ . 1 . 2]" 1
139 1 17 GLY QA 1 72 PHE QD . . 6.930 3.488 2.314 4.554 . 0 0 "[ . 1 . 2]" 1
140 1 17 GLY HA2 1 72 PHE QD . . 7.620 3.555 2.328 4.689 . 0 0 "[ . 1 . 2]" 1
141 1 17 GLY HA3 1 72 PHE QD . . 7.620 5.137 4.034 6.171 . 0 0 "[ . 1 . 2]" 1
142 1 18 MET H 1 18 MET ME . . 6.000 4.683 3.939 4.900 . 0 0 "[ . 1 . 2]" 1
143 1 18 MET H 1 18 MET QG . . 4.950 4.234 4.082 4.484 . 0 0 "[ . 1 . 2]" 1
144 1 18 MET H 1 19 THR MG . . 6.530 5.190 4.870 5.310 . 0 0 "[ . 1 . 2]" 1
145 1 18 MET H 1 72 PHE QD . . 7.620 4.115 2.590 5.141 . 0 0 "[ . 1 . 2]" 1
146 1 18 MET HA 1 19 THR MG . . 5.600 3.621 3.305 4.432 . 0 0 "[ . 1 . 2]" 1
147 1 18 MET HA 1 72 PHE QD . . 7.620 4.891 3.235 5.518 . 0 0 "[ . 1 . 2]" 1
148 1 18 MET HA 1 72 PHE QE . . 5.730 5.000 4.049 5.434 . 0 0 "[ . 1 . 2]" 1
149 1 18 MET QB 1 19 THR MG . . 7.030 3.933 2.505 5.034 . 0 0 "[ . 1 . 2]" 1
150 1 18 MET QB 1 72 PHE QD . . 8.500 3.336 2.303 4.127 . 0 0 "[ . 1 . 2]" 1
151 1 18 MET QB 1 72 PHE QE . . 8.500 2.781 1.962 3.622 . 0 0 "[ . 1 . 2]" 1
152 1 18 MET ME 1 21 HIS H . . 6.160 4.688 2.512 5.160 . 0 0 "[ . 1 . 2]" 1
153 1 18 MET ME 1 70 MET ME . . 5.880 3.919 3.667 4.091 . 0 0 "[ . 1 . 2]" 1
154 1 18 MET ME 1 72 PHE QD . . 8.250 3.174 2.114 4.097 . 0 0 "[ . 1 . 2]" 1
155 1 18 MET ME 1 72 PHE QE . . 6.910 2.274 2.035 2.639 . 0 0 "[ . 1 . 2]" 1
156 1 18 MET ME 1 72 PHE HZ . . 6.530 2.851 2.075 4.175 . 0 0 "[ . 1 . 2]" 1
157 1 18 MET QG 1 19 THR MG . . 5.420 2.680 1.957 3.936 . 0 0 "[ . 1 . 2]" 1
158 1 18 MET QG 1 72 PHE QD . . 6.950 4.616 3.199 5.409 . 0 0 "[ . 1 . 2]" 1
159 1 18 MET QG 1 72 PHE QE . . 6.890 3.951 2.227 4.782 . 0 0 "[ . 1 . 2]" 1
160 1 20 CYS H 1 20 CYS HA . . 2.830 2.793 2.311 2.921 0.091 14 0 "[ . 1 . 2]" 1
161 1 20 CYS HA 1 21 HIS H . . 3.640 3.209 2.083 3.590 . 0 0 "[ . 1 . 2]" 1
162 1 22 SER QB 1 70 MET ME . . 7.400 5.394 5.024 5.547 . 0 0 "[ . 1 . 2]" 1
163 1 23 CYS H 1 24 THR H . . 3.210 2.699 2.011 3.214 0.004 11 0 "[ . 1 . 2]" 1
164 1 23 CYS H 1 24 THR MG . . 6.280 3.400 2.420 4.478 . 0 0 "[ . 1 . 2]" 1
165 1 23 CYS HA 1 26 THR H . . 4.540 4.325 3.978 4.582 0.042 1 0 "[ . 1 . 2]" 1
166 1 23 CYS HA 1 72 PHE HZ . . 5.500 4.803 4.115 5.578 0.078 6 0 "[ . 1 . 2]" 1
167 1 23 CYS QB 1 70 MET QG . . 7.220 4.998 3.790 5.618 . 0 0 "[ . 1 . 2]" 1
168 1 23 CYS QB 1 72 PHE HZ . . 5.260 3.155 2.367 4.669 . 0 0 "[ . 1 . 2]" 1
169 1 23 CYS HB2 1 72 PHE QE . . 7.620 3.797 2.185 4.777 . 0 0 "[ . 1 . 2]" 1
170 1 23 CYS HB2 1 72 PHE HZ . . 5.500 3.592 2.419 5.506 0.006 19 0 "[ . 1 . 2]" 1
171 1 23 CYS HB3 1 72 PHE QE . . 7.620 4.073 2.836 5.476 . 0 0 "[ . 1 . 2]" 1
172 1 23 CYS HB3 1 72 PHE HZ . . 5.500 4.005 2.505 5.254 . 0 0 "[ . 1 . 2]" 1
173 1 24 THR H 1 24 THR HB . . 3.730 3.634 3.570 3.878 0.148 1 0 "[ . 1 . 2]" 1
174 1 24 THR H 1 24 THR MG . . 4.450 2.106 1.911 2.544 . 0 0 "[ . 1 . 2]" 1
175 1 24 THR H 1 25 SER H . . 3.390 2.720 2.540 3.159 . 0 0 "[ . 1 . 2]" 1
176 1 24 THR HA 1 27 ILE HB . . 3.860 2.774 1.999 3.819 . 0 0 "[ . 1 . 2]" 1
177 1 24 THR HB 1 27 ILE H . . 4.480 4.500 4.443 4.545 0.065 4 0 "[ . 1 . 2]" 1
178 1 24 THR HB 1 27 ILE HB . . 3.520 3.135 2.953 3.535 0.015 14 0 "[ . 1 . 2]" 1
179 1 24 THR HB 1 27 ILE MD . . 4.980 2.901 2.111 4.175 . 0 0 "[ . 1 . 2]" 1
180 1 24 THR HB 1 27 ILE MG . . 4.920 3.997 3.805 4.042 . 0 0 "[ . 1 . 2]" 1
181 1 24 THR MG 1 47 GLN QB . . 6.100 2.475 2.015 3.775 . 0 0 "[ . 1 . 2]" 1
182 1 24 THR MG 1 47 GLN QE . . 7.390 2.981 1.824 4.650 . 0 0 "[ . 1 . 2]" 1
183 1 25 SER H 1 26 THR H . . 3.830 2.570 2.121 2.690 . 0 0 "[ . 1 . 2]" 1
184 1 25 SER HA 1 28 GLU H . . 4.420 3.702 3.422 3.904 . 0 0 "[ . 1 . 2]" 1
185 1 25 SER HA 1 28 GLU HB2 . . 3.390 3.273 2.934 3.430 0.040 14 0 "[ . 1 . 2]" 1
186 1 26 THR H 1 26 THR HA . . 2.830 2.867 2.849 2.902 0.072 8 0 "[ . 1 . 2]" 1
187 1 26 THR H 1 26 THR HB . . 4.200 3.617 3.605 3.641 . 0 0 "[ . 1 . 2]" 1
188 1 26 THR H 1 26 THR MG . . 4.570 2.061 2.013 2.203 . 0 0 "[ . 1 . 2]" 1
189 1 26 THR H 1 27 ILE H . . 3.330 2.500 2.349 2.576 . 0 0 "[ . 1 . 2]" 1
190 1 26 THR HA 1 26 THR MG . . 3.640 2.484 2.453 2.512 . 0 0 "[ . 1 . 2]" 1
191 1 26 THR HA 1 29 GLY H . . 4.970 3.894 3.598 4.084 . 0 0 "[ . 1 . 2]" 1
192 1 26 THR HB 1 27 ILE H . . 4.420 3.765 3.651 3.910 . 0 0 "[ . 1 . 2]" 1
193 1 26 THR MG 1 27 ILE HA . . 6.530 5.445 5.426 5.461 . 0 0 "[ . 1 . 2]" 1
194 1 27 ILE H 1 27 ILE HB . . 2.870 2.505 2.383 2.649 . 0 0 "[ . 1 . 2]" 1
195 1 27 ILE H 1 27 ILE MD . . 4.850 3.546 2.986 3.665 . 0 0 "[ . 1 . 2]" 1
196 1 27 ILE H 1 27 ILE HG12 . . 3.330 3.225 1.793 3.364 0.034 4 0 "[ . 1 . 2]" 1
197 1 27 ILE H 1 27 ILE QG . . 3.030 2.038 1.786 2.177 . 0 0 "[ . 1 . 2]" 1
198 1 27 ILE H 1 27 ILE HG13 . . 3.330 2.135 1.926 3.338 0.008 14 0 "[ . 1 . 2]" 1
199 1 27 ILE H 1 28 GLU H . . 2.770 2.692 2.569 2.781 0.011 3 0 "[ . 1 . 2]" 1
200 1 27 ILE HA 1 27 ILE QG . . 3.720 2.409 2.306 3.004 . 0 0 "[ . 1 . 2]" 1
201 1 27 ILE HA 1 27 ILE MG . . 3.610 2.462 2.416 2.528 . 0 0 "[ . 1 . 2]" 1
202 1 27 ILE HA 1 30 LYS H . . 4.540 3.500 3.124 3.730 . 0 0 "[ . 1 . 2]" 1
203 1 27 ILE HA 1 31 ILE H . . 4.850 3.671 3.064 4.236 . 0 0 "[ . 1 . 2]" 1
204 1 27 ILE HA 1 67 ILE MD . . 5.720 3.739 2.410 4.597 . 0 0 "[ . 1 . 2]" 1
205 1 27 ILE HB 1 28 GLU H . . 3.450 2.760 2.399 3.008 . 0 0 "[ . 1 . 2]" 1
206 1 27 ILE MD 1 67 ILE MG . . 6.470 2.040 1.865 2.596 . 0 0 "[ . 1 . 2]" 1
207 1 27 ILE MD 1 72 PHE QD . . 6.760 3.408 2.111 4.461 . 0 0 "[ . 1 . 2]" 1
208 1 27 ILE MD 1 72 PHE QE . . 7.530 3.866 2.516 4.925 . 0 0 "[ . 1 . 2]" 1
209 1 27 ILE QG 1 72 PHE QD . . 8.500 5.096 3.284 6.215 . 0 0 "[ . 1 . 2]" 1
210 1 27 ILE QG 1 72 PHE QE . . 8.500 5.178 3.378 6.423 . 0 0 "[ . 1 . 2]" 1
211 1 27 ILE MG 1 28 GLU H . . 4.510 3.539 3.218 3.706 . 0 0 "[ . 1 . 2]" 1
212 1 27 ILE MG 1 31 ILE HB . . 5.260 3.490 2.515 4.080 . 0 0 "[ . 1 . 2]" 1
213 1 28 GLU H 1 28 GLU HA . . 2.740 2.768 2.709 2.794 0.054 7 0 "[ . 1 . 2]" 1
214 1 28 GLU H 1 28 GLU HB2 . . 2.830 2.199 2.104 2.266 . 0 0 "[ . 1 . 2]" 1
215 1 28 GLU H 1 28 GLU HB3 . . 2.740 2.679 2.597 2.773 0.033 4 0 "[ . 1 . 2]" 1
216 1 28 GLU H 1 28 GLU HG2 . . 4.450 4.303 4.103 4.454 0.004 6 0 "[ . 1 . 2]" 1
217 1 28 GLU H 1 28 GLU QG . . 4.170 3.840 3.796 3.859 . 0 0 "[ . 1 . 2]" 1
218 1 28 GLU H 1 28 GLU HG3 . . 4.450 4.346 4.195 4.476 0.026 4 0 "[ . 1 . 2]" 1
219 1 28 GLU HA 1 28 GLU HB2 . . 2.900 2.579 2.545 2.640 . 0 0 "[ . 1 . 2]" 1
220 1 28 GLU HA 1 28 GLU HG2 . . 3.980 2.681 2.425 2.933 . 0 0 "[ . 1 . 2]" 1
221 1 28 GLU HA 1 28 GLU QG . . 3.370 2.365 2.264 2.480 . 0 0 "[ . 1 . 2]" 1
222 1 28 GLU HA 1 28 GLU HG3 . . 3.980 3.048 2.367 3.670 . 0 0 "[ . 1 . 2]" 1
223 1 28 GLU HA 1 32 GLY H . . 4.540 4.536 4.384 4.558 0.018 10 0 "[ . 1 . 2]" 1
224 1 28 GLU HB2 1 28 GLU QG . . 2.600 2.274 2.182 2.375 . 0 0 "[ . 1 . 2]" 1
225 1 28 GLU HB2 1 29 GLY H . . 3.300 3.355 3.335 3.373 0.073 6 0 "[ . 1 . 2]" 1
226 1 28 GLU HB3 1 28 GLU QG . . 2.690 2.361 2.332 2.375 . 0 0 "[ . 1 . 2]" 1
227 1 28 GLU HB3 1 29 GLY H . . 4.230 1.972 1.848 2.270 . 0 0 "[ . 1 . 2]" 1
228 1 29 GLY H 1 29 GLY HA2 . . 2.930 2.880 2.842 2.920 . 0 0 "[ . 1 . 2]" 1
229 1 29 GLY H 1 29 GLY HA3 . . 2.930 2.343 2.334 2.357 . 0 0 "[ . 1 . 2]" 1
230 1 29 GLY H 1 30 LYS H . . 2.650 2.651 2.499 2.710 0.060 7 0 "[ . 1 . 2]" 1
231 1 29 GLY QA 1 30 LYS H . . 3.190 2.848 2.735 2.924 . 0 0 "[ . 1 . 2]" 1
232 1 29 GLY HA2 1 30 LYS H . . 3.550 3.451 3.373 3.511 . 0 0 "[ . 1 . 2]" 1
233 1 29 GLY HA3 1 30 LYS H . . 3.550 3.041 2.853 3.197 . 0 0 "[ . 1 . 2]" 1
234 1 30 LYS H 1 30 LYS HB2 . . 2.990 2.642 2.516 2.780 . 0 0 "[ . 1 . 2]" 1
235 1 30 LYS H 1 30 LYS QB . . 2.760 2.264 2.214 2.334 . 0 0 "[ . 1 . 2]" 1
236 1 30 LYS H 1 30 LYS HB3 . . 2.990 2.471 2.329 2.692 . 0 0 "[ . 1 . 2]" 1
237 1 30 LYS H 1 31 ILE H . . 2.460 2.491 2.477 2.506 0.046 8 0 "[ . 1 . 2]" 1
238 1 30 LYS HA 1 31 ILE H . . 3.580 3.482 3.433 3.512 . 0 0 "[ . 1 . 2]" 1
239 1 30 LYS HA 1 33 LYS H . . 4.290 3.778 3.476 4.316 0.026 14 0 "[ . 1 . 2]" 1
240 1 30 LYS HA 1 33 LYS QB . . 5.230 3.031 2.692 3.695 . 0 0 "[ . 1 . 2]" 1
241 1 30 LYS QB 1 31 ILE H . . 3.760 2.332 2.065 2.661 . 0 0 "[ . 1 . 2]" 1
242 1 30 LYS HB2 1 31 ILE H . . 4.110 3.695 3.528 3.904 . 0 0 "[ . 1 . 2]" 1
243 1 30 LYS HB3 1 31 ILE H . . 4.110 2.359 2.079 2.716 . 0 0 "[ . 1 . 2]" 1
244 1 31 ILE H 1 31 ILE HA . . 2.830 2.872 2.845 2.939 0.109 14 0 "[ . 1 . 2]" 1
245 1 31 ILE H 1 31 ILE HB . . 2.830 2.410 1.992 2.552 . 0 0 "[ . 1 . 2]" 1
246 1 31 ILE H 1 31 ILE HG12 . . 4.540 2.947 2.087 3.740 . 0 0 "[ . 1 . 2]" 1
247 1 31 ILE H 1 31 ILE QG . . 3.910 2.296 2.073 3.531 . 0 0 "[ . 1 . 2]" 1
248 1 31 ILE H 1 31 ILE HG13 . . 4.540 2.997 2.139 4.336 . 0 0 "[ . 1 . 2]" 1
249 1 31 ILE H 1 31 ILE MG . . 4.700 3.722 2.910 3.825 . 0 0 "[ . 1 . 2]" 1
250 1 31 ILE H 1 32 GLY H . . 2.590 2.502 2.065 2.628 0.038 7 0 "[ . 1 . 2]" 1
251 1 31 ILE HA 1 34 LEU H . . 4.540 3.768 3.510 4.165 . 0 0 "[ . 1 . 2]" 1
252 1 31 ILE HA 1 34 LEU QB . . 6.310 3.788 3.359 4.522 . 0 0 "[ . 1 . 2]" 1
253 1 31 ILE HA 1 34 LEU QD . . 5.310 2.192 2.030 3.204 . 0 0 "[ . 1 . 2]" 1
254 1 31 ILE HA 1 34 LEU HG . . 2.930 2.272 2.040 2.972 0.042 13 0 "[ . 1 . 2]" 1
255 1 31 ILE HB 1 32 GLY H . . 4.070 2.997 2.710 3.585 . 0 0 "[ . 1 . 2]" 1
256 1 31 ILE QG 1 40 ILE MD . . 7.400 4.507 3.965 5.403 . 0 0 "[ . 1 . 2]" 1
257 1 31 ILE MG 1 32 GLY H . . 5.010 3.630 2.504 4.153 . 0 0 "[ . 1 . 2]" 1
258 1 32 GLY H 1 32 GLY HA2 . . 2.770 2.871 2.853 2.929 0.159 3 0 "[ . 1 . 2]" 1
259 1 32 GLY H 1 32 GLY QA . . 2.530 2.233 2.220 2.321 . 0 0 "[ . 1 . 2]" 1
260 1 32 GLY H 1 32 GLY HA3 . . 2.770 2.328 2.314 2.434 . 0 0 "[ . 1 . 2]" 1
261 1 32 GLY H 1 33 LYS H . . 2.400 2.408 2.008 2.456 0.056 5 0 "[ . 1 . 2]" 1
262 1 32 GLY H 1 40 ILE MD . . 6.500 3.320 2.670 4.254 . 0 0 "[ . 1 . 2]" 1
263 1 32 GLY QA 1 40 ILE MD . . 6.630 2.224 1.905 2.941 . 0 0 "[ . 1 . 2]" 1
264 1 33 LYS H 1 33 LYS HA . . 2.800 2.905 2.867 2.922 0.122 3 0 "[ . 1 . 2]" 1
265 1 33 LYS H 1 33 LYS HB2 . . 2.990 2.639 2.271 2.778 . 0 0 "[ . 1 . 2]" 1
266 1 33 LYS H 1 33 LYS QB . . 2.760 2.228 2.090 2.289 . 0 0 "[ . 1 . 2]" 1
267 1 33 LYS H 1 33 LYS HB3 . . 2.990 2.438 2.169 2.950 . 0 0 "[ . 1 . 2]" 1
268 1 33 LYS H 1 33 LYS QD . . 5.820 4.520 4.130 4.835 . 0 0 "[ . 1 . 2]" 1
269 1 33 LYS H 1 34 LEU H . . 2.400 2.448 2.422 2.514 0.114 3 0 "[ . 1 . 2]" 1
270 1 33 LYS H 1 34 LEU QD . . 6.550 4.033 3.558 4.504 . 0 0 "[ . 1 . 2]" 1
271 1 33 LYS H 1 34 LEU HG . . 4.380 3.455 3.203 3.998 . 0 0 "[ . 1 . 2]" 1
272 1 33 LYS HA 1 33 LYS HB2 . . 2.930 2.439 2.350 2.676 . 0 0 "[ . 1 . 2]" 1
273 1 33 LYS HA 1 33 LYS QB . . 2.530 2.332 2.268 2.479 . 0 0 "[ . 1 . 2]" 1
274 1 33 LYS HA 1 33 LYS HB3 . . 2.930 2.975 2.928 2.991 0.061 13 0 "[ . 1 . 2]" 1
275 1 33 LYS HA 1 33 LYS QD . . 4.140 3.032 2.106 3.926 . 0 0 "[ . 1 . 2]" 1
276 1 33 LYS HA 1 33 LYS QG . . 3.770 2.691 2.125 3.145 . 0 0 "[ . 1 . 2]" 1
277 1 33 LYS HA 1 34 LEU H . . 3.270 3.295 3.224 3.354 0.084 6 0 "[ . 1 . 2]" 1
278 1 33 LYS QB 1 34 LEU H . . 4.890 3.360 3.091 3.542 . 0 0 "[ . 1 . 2]" 1
279 1 34 LEU H 1 34 LEU HA . . 2.710 2.820 2.771 2.864 0.154 5 0 "[ . 1 . 2]" 1
280 1 34 LEU H 1 34 LEU HB2 . . 3.450 2.467 2.224 3.462 0.012 3 0 "[ . 1 . 2]" 1
281 1 34 LEU H 1 34 LEU QB . . 3.050 2.375 2.200 2.846 . 0 0 "[ . 1 . 2]" 1
282 1 34 LEU H 1 34 LEU HB3 . . 3.450 3.471 2.994 3.546 0.096 6 0 "[ . 1 . 2]" 1
283 1 34 LEU H 1 34 LEU QD . . 4.720 2.947 1.850 3.236 . 0 0 "[ . 1 . 2]" 1
284 1 34 LEU H 1 34 LEU HG . . 3.210 2.200 1.809 2.682 . 0 0 "[ . 1 . 2]" 1
285 1 34 LEU H 1 35 GLN H . . 4.630 4.471 4.240 4.580 . 0 0 "[ . 1 . 2]" 1
286 1 34 LEU H 1 37 VAL HB . . 4.540 4.618 4.568 4.738 0.198 7 0 "[ . 1 . 2]" 1
287 1 34 LEU HA 1 34 LEU HG . . 3.920 3.089 2.630 3.628 . 0 0 "[ . 1 . 2]" 1
288 1 34 LEU HA 1 35 GLN H . . 2.560 2.112 2.058 2.153 . 0 0 "[ . 1 . 2]" 1
289 1 34 LEU HA 1 35 GLN QG . . 6.350 4.232 3.608 5.737 . 0 0 "[ . 1 . 2]" 1
290 1 34 LEU QB 1 35 GLN H . . 4.700 3.230 2.940 3.624 . 0 0 "[ . 1 . 2]" 1
291 1 34 LEU QB 1 37 VAL HB . . 5.380 3.176 2.652 3.908 . 0 0 "[ . 1 . 2]" 1
292 1 34 LEU QD 1 35 GLN H . . 5.370 3.505 3.005 4.039 . 0 0 "[ . 1 . 2]" 1
293 1 34 LEU QD 1 63 MET QB . . 6.770 2.541 1.927 3.396 . 0 0 "[ . 1 . 2]" 1
294 1 34 LEU QD 1 63 MET QG . . 7.550 1.937 1.741 2.743 . 0 0 "[ . 1 . 2]" 1
295 1 35 GLN H 1 35 GLN HA . . 2.830 2.891 2.848 2.913 0.083 17 0 "[ . 1 . 2]" 1
296 1 35 GLN H 1 35 GLN QB . . 3.280 2.425 2.232 2.669 . 0 0 "[ . 1 . 2]" 1
297 1 35 GLN HA 1 35 GLN HG2 . . 4.200 3.292 2.481 3.784 . 0 0 "[ . 1 . 2]" 1
298 1 35 GLN HA 1 35 GLN QG . . 3.840 2.765 2.356 3.504 . 0 0 "[ . 1 . 2]" 1
299 1 35 GLN HA 1 35 GLN HG3 . . 4.200 3.216 2.456 4.238 0.038 8 0 "[ . 1 . 2]" 1
300 1 35 GLN HA 1 36 GLY H . . 2.400 2.216 2.054 2.346 . 0 0 "[ . 1 . 2]" 1
301 1 35 GLN HA 1 37 VAL H . . 3.670 3.208 2.981 3.369 . 0 0 "[ . 1 . 2]" 1
302 1 35 GLN QB 1 36 GLY H . . 3.770 2.874 2.390 3.503 . 0 0 "[ . 1 . 2]" 1
303 1 35 GLN QG 1 36 GLY H . . 4.530 3.867 2.553 4.182 . 0 0 "[ . 1 . 2]" 1
304 1 35 GLN HG2 1 36 GLY H . . 5.070 4.587 2.582 5.076 0.006 18 0 "[ . 1 . 2]" 1
305 1 35 GLN HG3 1 36 GLY H . . 5.070 4.378 3.811 4.999 . 0 0 "[ . 1 . 2]" 1
306 1 36 GLY H 1 36 GLY HA2 . . 2.830 2.342 2.320 2.443 . 0 0 "[ . 1 . 2]" 1
307 1 36 GLY H 1 36 GLY QA . . 2.600 2.248 2.228 2.333 . 0 0 "[ . 1 . 2]" 1
308 1 36 GLY H 1 36 GLY HA3 . . 2.830 2.898 2.871 2.954 0.124 14 0 "[ . 1 . 2]" 1
309 1 36 GLY H 1 37 VAL H . . 2.430 2.437 1.886 2.498 0.068 13 0 "[ . 1 . 2]" 1
310 1 36 GLY H 1 57 LEU QD . . 7.660 4.201 3.913 4.591 . 0 0 "[ . 1 . 2]" 1
311 1 36 GLY QA 1 54 GLN H . . 5.730 4.042 3.651 4.694 . 0 0 "[ . 1 . 2]" 1
312 1 36 GLY QA 1 57 LEU QB . . 5.680 2.205 1.984 2.648 . 0 0 "[ . 1 . 2]" 1
313 1 36 GLY QA 1 57 LEU HG . . 3.540 2.359 2.084 3.025 . 0 0 "[ . 1 . 2]" 1
314 1 36 GLY QA 1 58 ILE MG . . 7.030 3.087 2.207 3.923 . 0 0 "[ . 1 . 2]" 1
315 1 36 GLY HA2 1 57 LEU HB2 . . 6.450 4.162 3.282 4.724 . 0 0 "[ . 1 . 2]" 1
316 1 36 GLY HA2 1 57 LEU HB3 . . 6.450 3.735 2.901 4.617 . 0 0 "[ . 1 . 2]" 1
317 1 36 GLY HA2 1 57 LEU HG . . 3.920 2.951 2.273 3.835 . 0 0 "[ . 1 . 2]" 1
318 1 36 GLY HA3 1 57 LEU HB2 . . 6.450 3.073 2.228 4.315 . 0 0 "[ . 1 . 2]" 1
319 1 36 GLY HA3 1 57 LEU HB3 . . 6.450 2.378 2.061 3.138 . 0 0 "[ . 1 . 2]" 1
320 1 36 GLY HA3 1 57 LEU HG . . 3.920 2.520 2.139 3.167 . 0 0 "[ . 1 . 2]" 1
321 1 37 VAL H 1 37 VAL HA . . 2.900 2.929 2.874 2.945 0.045 6 0 "[ . 1 . 2]" 1
322 1 37 VAL H 1 37 VAL HB . . 2.460 2.347 2.265 2.425 . 0 0 "[ . 1 . 2]" 1
323 1 37 VAL H 1 37 VAL MG1 . . 4.330 3.722 3.702 3.733 . 0 0 "[ . 1 . 2]" 1
324 1 37 VAL H 1 37 VAL MG2 . . 3.430 2.670 2.580 2.722 . 0 0 "[ . 1 . 2]" 1
325 1 37 VAL H 1 38 GLN H . . 4.690 4.514 4.394 4.596 . 0 0 "[ . 1 . 2]" 1
326 1 37 VAL H 1 54 GLN HE22 . . 4.850 4.818 4.148 4.907 0.057 8 0 "[ . 1 . 2]" 1
327 1 37 VAL H 1 57 LEU QD . . 7.140 5.122 4.614 5.366 . 0 0 "[ . 1 . 2]" 1
328 1 37 VAL HA 1 38 GLN H . . 2.400 2.144 2.060 2.230 . 0 0 "[ . 1 . 2]" 1
329 1 37 VAL HA 1 39 ARG H . . 5.470 4.828 4.624 4.992 . 0 0 "[ . 1 . 2]" 1
330 1 37 VAL HA 1 53 TYR HA . . 3.080 2.519 2.228 3.060 . 0 0 "[ . 1 . 2]" 1
331 1 37 VAL HA 1 53 TYR HB2 . . 3.860 2.372 2.151 2.659 . 0 0 "[ . 1 . 2]" 1
332 1 37 VAL HA 1 53 TYR QD . . 7.640 4.219 4.056 4.445 . 0 0 "[ . 1 . 2]" 1
333 1 37 VAL HA 1 54 GLN H . . 3.640 3.224 2.795 3.650 0.010 12 0 "[ . 1 . 2]" 1
334 1 37 VAL HA 1 58 ILE MG . . 6.530 4.336 3.150 5.444 . 0 0 "[ . 1 . 2]" 1
335 1 37 VAL MG1 1 38 GLN H . . 3.920 2.524 2.335 2.893 . 0 0 "[ . 1 . 2]" 1
336 1 37 VAL MG1 1 39 ARG H . . 4.570 3.514 3.381 3.648 . 0 0 "[ . 1 . 2]" 1
337 1 37 VAL MG1 1 40 ILE MD . . 7.560 3.653 2.710 5.043 . 0 0 "[ . 1 . 2]" 1
338 1 37 VAL MG1 1 52 VAL H . . 6.190 3.526 3.158 3.796 . 0 0 "[ . 1 . 2]" 1
339 1 37 VAL MG2 1 38 GLN H . . 4.390 3.608 3.551 3.671 . 0 0 "[ . 1 . 2]" 1
340 1 37 VAL MG2 1 53 TYR QE . . 8.540 4.910 4.556 5.297 . 0 0 "[ . 1 . 2]" 1
341 1 38 GLN H 1 38 GLN HB2 . . 3.700 2.509 2.364 2.680 . 0 0 "[ . 1 . 2]" 1
342 1 38 GLN H 1 38 GLN HB3 . . 3.700 3.659 3.617 3.705 0.005 19 0 "[ . 1 . 2]" 1
343 1 38 GLN H 1 38 GLN HE22 . . 5.000 4.731 3.306 5.130 0.130 16 0 "[ . 1 . 2]" 1
344 1 38 GLN H 1 38 GLN HG2 . . 4.480 3.162 2.336 4.311 . 0 0 "[ . 1 . 2]" 1
345 1 38 GLN H 1 38 GLN QG . . 4.040 2.538 2.315 3.560 . 0 0 "[ . 1 . 2]" 1
346 1 38 GLN H 1 38 GLN HG3 . . 4.480 3.289 2.401 3.913 . 0 0 "[ . 1 . 2]" 1
347 1 38 GLN H 1 39 ARG H . . 2.650 2.768 2.714 2.820 0.170 7 0 "[ . 1 . 2]" 1
348 1 38 GLN H 1 52 VAL HB . . 5.500 4.141 3.793 4.584 . 0 0 "[ . 1 . 2]" 1
349 1 38 GLN H 1 53 TYR HA . . 2.590 1.970 1.815 2.178 . 0 0 "[ . 1 . 2]" 1
350 1 38 GLN H 1 53 TYR HB3 . . 4.820 3.046 2.603 3.366 . 0 0 "[ . 1 . 2]" 1
351 1 38 GLN H 1 54 GLN H . . 3.790 3.797 3.579 3.874 0.084 16 0 "[ . 1 . 2]" 1
352 1 38 GLN HA 1 38 GLN HG2 . . 3.860 3.062 2.584 3.573 . 0 0 "[ . 1 . 2]" 1
353 1 38 GLN HA 1 38 GLN QG . . 3.450 2.757 2.203 3.196 . 0 0 "[ . 1 . 2]" 1
354 1 38 GLN HA 1 38 GLN HG3 . . 3.860 3.306 2.228 3.849 . 0 0 "[ . 1 . 2]" 1
355 1 38 GLN QB 1 38 GLN QG . . 2.450 2.055 1.990 2.117 . 0 0 "[ . 1 . 2]" 1
356 1 38 GLN QB 1 39 ARG H . . 3.480 1.795 1.740 1.910 . 0 0 "[ . 1 . 2]" 1
357 1 38 GLN QB 1 52 VAL HB . . 5.200 2.844 2.500 3.250 . 0 0 "[ . 1 . 2]" 1
358 1 38 GLN QB 1 52 VAL MG1 . . 5.950 2.507 2.064 3.383 . 0 0 "[ . 1 . 2]" 1
359 1 38 GLN QB 1 53 TYR HA . . 5.170 3.005 2.469 3.396 . 0 0 "[ . 1 . 2]" 1
360 1 38 GLN HB2 1 39 ARG H . . 4.010 1.820 1.763 1.968 . 0 0 "[ . 1 . 2]" 1
361 1 38 GLN HB3 1 39 ARG H . . 4.010 2.791 2.448 3.044 . 0 0 "[ . 1 . 2]" 1
362 1 38 GLN HE21 1 52 VAL MG1 . . 6.530 4.081 1.997 5.292 . 0 0 "[ . 1 . 2]" 1
363 1 38 GLN QG 1 53 TYR HA . . 3.900 2.377 1.991 3.648 . 0 0 "[ . 1 . 2]" 1
364 1 38 GLN HG2 1 53 TYR HA . . 4.070 3.095 1.999 4.113 0.043 14 0 "[ . 1 . 2]" 1
365 1 38 GLN HG3 1 53 TYR HA . . 4.070 3.195 2.154 4.111 0.041 6 0 "[ . 1 . 2]" 1
366 1 39 ARG H 1 39 ARG HB2 . . 3.020 2.703 2.390 2.897 . 0 0 "[ . 1 . 2]" 1
367 1 39 ARG H 1 39 ARG HB3 . . 2.740 2.679 2.569 2.792 0.052 17 0 "[ . 1 . 2]" 1
368 1 39 ARG H 1 52 VAL H . . 3.330 3.327 3.212 3.382 0.052 8 0 "[ . 1 . 2]" 1
369 1 39 ARG H 1 52 VAL MG1 . . 4.950 3.143 2.800 3.774 . 0 0 "[ . 1 . 2]" 1
370 1 39 ARG H 1 52 VAL MG2 . . 4.880 3.780 3.566 4.038 . 0 0 "[ . 1 . 2]" 1
371 1 39 ARG H 1 53 TYR HA . . 4.010 3.929 3.619 4.043 0.033 16 0 "[ . 1 . 2]" 1
372 1 39 ARG HA 1 39 ARG HB2 . . 2.650 2.595 2.505 2.679 0.029 17 0 "[ . 1 . 2]" 1
373 1 39 ARG HA 1 39 ARG HD2 . . 4.690 3.110 1.950 3.743 . 0 0 "[ . 1 . 2]" 1
374 1 39 ARG HA 1 39 ARG QD . . 3.840 2.369 1.937 2.885 . 0 0 "[ . 1 . 2]" 1
375 1 39 ARG HA 1 39 ARG HD3 . . 4.690 2.998 2.051 3.899 . 0 0 "[ . 1 . 2]" 1
376 1 39 ARG HA 1 39 ARG HE . . 3.790 2.835 1.899 3.858 0.068 8 0 "[ . 1 . 2]" 1
377 1 39 ARG HA 1 40 ILE H . . 2.460 2.337 2.237 2.457 . 0 0 "[ . 1 . 2]" 1
378 1 40 ILE H 1 40 ILE HB . . 3.390 3.415 3.235 3.462 0.072 6 0 "[ . 1 . 2]" 1
379 1 40 ILE H 1 40 ILE MG . . 3.430 2.397 2.288 2.540 . 0 0 "[ . 1 . 2]" 1
380 1 40 ILE HA 1 40 ILE HG12 . . 3.730 3.057 2.461 3.326 . 0 0 "[ . 1 . 2]" 1
381 1 40 ILE HA 1 40 ILE QG . . 3.180 2.459 2.410 2.514 . 0 0 "[ . 1 . 2]" 1
382 1 40 ILE HA 1 40 ILE HG13 . . 3.730 2.784 2.500 3.732 0.002 2 0 "[ . 1 . 2]" 1
383 1 40 ILE HA 1 41 LYS H . . 2.400 2.149 2.084 2.187 . 0 0 "[ . 1 . 2]" 1
384 1 40 ILE HA 1 51 ILE HA . . 5.100 2.199 2.098 2.320 . 0 0 "[ . 1 . 2]" 1
385 1 40 ILE HA 1 51 ILE MD . . 5.440 3.393 2.820 3.825 . 0 0 "[ . 1 . 2]" 1
386 1 40 ILE HA 1 51 ILE MG . . 6.530 2.945 2.431 3.350 . 0 0 "[ . 1 . 2]" 1
387 1 40 ILE HA 1 52 VAL H . . 3.300 3.297 3.167 3.364 0.064 16 0 "[ . 1 . 2]" 1
388 1 40 ILE QG 1 51 ILE HA . . 4.450 3.823 3.655 3.933 . 0 0 "[ . 1 . 2]" 1
389 1 41 LYS H 1 41 LYS QB . . 3.830 3.124 2.483 3.435 . 0 0 "[ . 1 . 2]" 1
390 1 41 LYS H 1 41 LYS QD . . 4.700 3.752 2.130 4.284 . 0 0 "[ . 1 . 2]" 1
391 1 41 LYS H 1 41 LYS QG . . 4.240 2.507 1.884 3.714 . 0 0 "[ . 1 . 2]" 1
392 1 41 LYS H 1 50 THR H . . 3.420 3.466 3.440 3.513 0.093 14 0 "[ . 1 . 2]" 1
393 1 41 LYS H 1 50 THR HB . . 4.790 4.312 3.869 4.661 . 0 0 "[ . 1 . 2]" 1
394 1 41 LYS H 1 51 ILE HA . . 2.870 2.831 2.677 2.914 0.044 5 0 "[ . 1 . 2]" 1
395 1 41 LYS H 1 51 ILE MD . . 4.360 2.914 2.287 3.373 . 0 0 "[ . 1 . 2]" 1
396 1 41 LYS H 1 51 ILE QG . . 5.290 3.242 2.142 3.903 . 0 0 "[ . 1 . 2]" 1
397 1 41 LYS HA 1 41 LYS QD . . 4.730 4.020 2.059 4.290 . 0 0 "[ . 1 . 2]" 1
398 1 41 LYS HA 1 42 VAL H . . 2.400 2.226 2.053 2.381 . 0 0 "[ . 1 . 2]" 1
399 1 41 LYS QB 1 42 VAL H . . 5.320 3.194 2.388 3.891 . 0 0 "[ . 1 . 2]" 1
400 1 41 LYS QB 1 50 THR H . . 5.510 4.378 2.806 4.950 . 0 0 "[ . 1 . 2]" 1
401 1 41 LYS QG 1 50 THR H . . 5.850 3.672 2.445 5.170 . 0 0 "[ . 1 . 2]" 1
402 1 42 VAL H 1 42 VAL HB . . 2.740 2.605 2.449 2.798 0.058 19 0 "[ . 1 . 2]" 1
403 1 42 VAL H 1 42 VAL MG2 . . 4.330 2.593 2.165 2.991 . 0 0 "[ . 1 . 2]" 1
404 1 42 VAL HA 1 42 VAL MG1 . . 3.680 2.428 2.376 2.474 . 0 0 "[ . 1 . 2]" 1
405 1 42 VAL HA 1 42 VAL MG2 . . 3.740 2.438 2.384 2.491 . 0 0 "[ . 1 . 2]" 1
406 1 42 VAL HA 1 43 SER H . . 2.400 2.144 2.072 2.220 . 0 0 "[ . 1 . 2]" 1
407 1 42 VAL HA 1 49 ALA HA . . 3.520 1.968 1.886 2.131 . 0 0 "[ . 1 . 2]" 1
408 1 42 VAL HA 1 49 ALA MB . . 4.420 3.448 3.078 3.647 . 0 0 "[ . 1 . 2]" 1
409 1 42 VAL HA 1 50 THR H . . 2.990 2.862 2.366 3.049 0.059 20 0 "[ . 1 . 2]" 1
410 1 42 VAL MG1 1 43 SER H . . 3.890 2.483 1.993 3.118 . 0 0 "[ . 1 . 2]" 1
411 1 42 VAL MG1 1 49 ALA HA . . 4.850 2.722 2.108 3.333 . 0 0 "[ . 1 . 2]" 1
412 1 42 VAL MG1 1 49 ALA MB . . 5.080 2.711 2.224 3.055 . 0 0 "[ . 1 . 2]" 1
413 1 42 VAL MG1 1 50 THR H . . 5.810 4.447 3.917 4.763 . 0 0 "[ . 1 . 2]" 1
414 1 42 VAL MG2 1 43 SER H . . 5.810 3.957 3.710 4.181 . 0 0 "[ . 1 . 2]" 1
415 1 42 VAL MG2 1 49 ALA HA . . 4.540 2.556 2.176 3.122 . 0 0 "[ . 1 . 2]" 1
416 1 42 VAL MG2 1 49 ALA MB . . 5.140 2.390 2.104 2.933 . 0 0 "[ . 1 . 2]" 1
417 1 42 VAL MG2 1 50 THR H . . 6.160 3.480 2.849 3.927 . 0 0 "[ . 1 . 2]" 1
418 1 43 SER H 1 43 SER HB2 . . 3.550 2.787 2.391 3.185 . 0 0 "[ . 1 . 2]" 1
419 1 43 SER H 1 43 SER HB3 . . 3.550 2.760 2.509 3.640 0.090 14 0 "[ . 1 . 2]" 1
420 1 43 SER H 1 48 GLU H . . 3.420 3.423 3.231 3.474 0.054 8 0 "[ . 1 . 2]" 1
421 1 43 SER H 1 49 ALA HA . . 2.990 3.041 3.006 3.078 0.088 16 0 "[ . 1 . 2]" 1
422 1 43 SER H 1 49 ALA MB . . 6.530 4.284 3.927 4.469 . 0 0 "[ . 1 . 2]" 1
423 1 43 SER HA 1 44 LEU H . . 2.400 2.330 2.141 2.471 0.071 20 0 "[ . 1 . 2]" 1
424 1 43 SER QB 1 48 GLU H . . 5.570 2.733 1.728 3.924 . 0 0 "[ . 1 . 2]" 1
425 1 43 SER QB 1 48 GLU QG . . 5.890 3.287 2.497 3.982 . 0 0 "[ . 1 . 2]" 1
426 1 44 LEU H 1 44 LEU HG . . 4.040 3.369 1.863 4.129 0.089 16 0 "[ . 1 . 2]" 1
427 1 44 LEU HA 1 44 LEU HG . . 4.200 2.977 2.387 3.799 . 0 0 "[ . 1 . 2]" 1
428 1 44 LEU HA 1 47 GLN H . . 3.920 3.813 3.424 3.990 0.070 10 0 "[ . 1 . 2]" 1
429 1 46 ASN HA 1 47 GLN H . . 3.110 2.674 2.251 3.131 0.021 1 0 "[ . 1 . 2]" 1
430 1 47 GLN H 1 47 GLN HA . . 2.400 2.308 2.288 2.334 . 0 0 "[ . 1 . 2]" 1
431 1 47 GLN H 1 47 GLN HB2 . . 3.390 2.731 2.594 2.810 . 0 0 "[ . 1 . 2]" 1
432 1 47 GLN H 1 47 GLN QB . . 2.890 2.624 2.521 2.680 . 0 0 "[ . 1 . 2]" 1
433 1 47 GLN H 1 47 GLN HB3 . . 3.390 3.400 3.320 3.463 0.073 11 0 "[ . 1 . 2]" 1
434 1 47 GLN H 1 47 GLN QG . . 4.860 4.227 3.910 4.423 . 0 0 "[ . 1 . 2]" 1
435 1 47 GLN HA 1 47 GLN HB2 . . 3.050 2.548 2.464 2.623 . 0 0 "[ . 1 . 2]" 1
436 1 47 GLN HA 1 47 GLN HB3 . . 3.050 3.026 3.012 3.037 . 0 0 "[ . 1 . 2]" 1
437 1 47 GLN HA 1 48 GLU H . . 2.520 2.552 2.334 2.602 0.082 2 0 "[ . 1 . 2]" 1
438 1 48 GLU H 1 48 GLU HB2 . . 4.010 2.691 2.485 2.849 . 0 0 "[ . 1 . 2]" 1
439 1 48 GLU H 1 48 GLU HB3 . . 3.170 2.499 2.302 2.695 . 0 0 "[ . 1 . 2]" 1
440 1 48 GLU H 1 48 GLU HG2 . . 5.500 4.492 4.375 4.743 . 0 0 "[ . 1 . 2]" 1
441 1 48 GLU H 1 48 GLU QG . . 5.100 4.029 3.988 4.138 . 0 0 "[ . 1 . 2]" 1
442 1 48 GLU H 1 48 GLU HG3 . . 5.500 4.562 4.429 4.757 . 0 0 "[ . 1 . 2]" 1
443 1 48 GLU H 1 49 ALA H . . 4.140 4.013 3.793 4.133 . 0 0 "[ . 1 . 2]" 1
444 1 48 GLU HA 1 48 GLU HB2 . . 2.930 2.483 2.395 2.590 . 0 0 "[ . 1 . 2]" 1
445 1 48 GLU HA 1 49 ALA H . . 2.400 2.140 2.095 2.198 . 0 0 "[ . 1 . 2]" 1
446 1 48 GLU HA 1 49 ALA MB . . 4.880 3.981 3.916 4.025 . 0 0 "[ . 1 . 2]" 1
447 1 48 GLU HB2 1 49 ALA H . . 4.540 4.480 4.386 4.551 0.011 4 0 "[ . 1 . 2]" 1
448 1 49 ALA H 1 49 ALA MB . . 3.640 2.206 2.176 2.267 . 0 0 "[ . 1 . 2]" 1
449 1 49 ALA HA 1 50 THR H . . 2.400 2.172 2.045 2.279 . 0 0 "[ . 1 . 2]" 1
450 1 49 ALA MB 1 50 THR H . . 3.830 3.108 2.814 3.287 . 0 0 "[ . 1 . 2]" 1
451 1 49 ALA MB 1 51 ILE MD . . 5.290 1.930 1.860 2.101 . 0 0 "[ . 1 . 2]" 1
452 1 50 THR H 1 50 THR HB . . 2.650 2.692 2.626 2.752 0.102 18 0 "[ . 1 . 2]" 1
453 1 50 THR H 1 50 THR MG . . 4.790 3.950 3.910 3.981 . 0 0 "[ . 1 . 2]" 1
454 1 50 THR HA 1 50 THR MG . . 3.430 2.401 2.345 2.453 . 0 0 "[ . 1 . 2]" 1
455 1 50 THR HA 1 51 ILE H . . 2.620 2.350 2.152 2.627 0.007 8 0 "[ . 1 . 2]" 1
456 1 50 THR MG 1 51 ILE H . . 5.690 3.875 3.514 4.200 . 0 0 "[ . 1 . 2]" 1
457 1 51 ILE H 1 51 ILE HB . . 3.520 2.412 2.270 2.555 . 0 0 "[ . 1 . 2]" 1
458 1 51 ILE HA 1 51 ILE MD . . 3.710 2.774 2.539 3.056 . 0 0 "[ . 1 . 2]" 1
459 1 51 ILE HA 1 51 ILE MG . . 3.550 2.516 2.426 2.678 . 0 0 "[ . 1 . 2]" 1
460 1 51 ILE HA 1 52 VAL H . . 2.490 2.199 2.137 2.250 . 0 0 "[ . 1 . 2]" 1
461 1 51 ILE HB 1 52 VAL H . . 4.630 4.164 3.976 4.333 . 0 0 "[ . 1 . 2]" 1
462 1 51 ILE MD 1 52 VAL H . . 5.880 4.616 4.369 4.846 . 0 0 "[ . 1 . 2]" 1
463 1 51 ILE MG 1 52 VAL H . . 3.830 2.536 2.199 2.879 . 0 0 "[ . 1 . 2]" 1
464 1 51 ILE MG 1 53 TYR HB2 . . 5.230 4.205 3.928 4.404 . 0 0 "[ . 1 . 2]" 1
465 1 51 ILE MG 1 53 TYR HB3 . . 5.470 2.744 2.483 2.978 . 0 0 "[ . 1 . 2]" 1
466 1 51 ILE MG 1 53 TYR QD . . 6.870 2.302 2.017 3.002 . 0 0 "[ . 1 . 2]" 1
467 1 52 VAL H 1 52 VAL HA . . 2.900 2.955 2.949 2.967 0.067 16 0 "[ . 1 . 2]" 1
468 1 52 VAL H 1 52 VAL HB . . 2.870 2.544 2.459 2.708 . 0 0 "[ . 1 . 2]" 1
469 1 52 VAL H 1 52 VAL MG1 . . 4.420 3.801 3.780 3.833 . 0 0 "[ . 1 . 2]" 1
470 1 52 VAL H 1 52 VAL MG2 . . 3.990 2.508 2.192 2.763 . 0 0 "[ . 1 . 2]" 1
471 1 52 VAL H 1 53 TYR HA . . 4.970 4.991 4.917 5.037 0.067 10 0 "[ . 1 . 2]" 1
472 1 52 VAL HA 1 53 TYR H . . 2.680 2.177 2.118 2.274 . 0 0 "[ . 1 . 2]" 1
473 1 52 VAL HA 1 53 TYR QD . . 7.550 3.089 2.778 3.424 . 0 0 "[ . 1 . 2]" 1
474 1 52 VAL MG1 1 53 TYR H . . 3.770 2.480 2.197 2.650 . 0 0 "[ . 1 . 2]" 1
475 1 52 VAL MG2 1 53 TYR H . . 4.790 4.022 3.963 4.072 . 0 0 "[ . 1 . 2]" 1
476 1 53 TYR HA 1 53 TYR HB2 . . 3.080 2.493 2.458 2.540 . 0 0 "[ . 1 . 2]" 1
477 1 53 TYR HA 1 53 TYR HB3 . . 3.020 2.447 2.405 2.518 . 0 0 "[ . 1 . 2]" 1
478 1 53 TYR HA 1 54 GLN H . . 2.460 2.347 2.246 2.478 0.018 6 0 "[ . 1 . 2]" 1
479 1 53 TYR HB2 1 54 GLN H . . 2.650 2.315 2.004 2.621 . 0 0 "[ . 1 . 2]" 1
480 1 53 TYR HB3 1 54 GLN H . . 3.890 3.631 3.427 3.901 0.011 12 0 "[ . 1 . 2]" 1
481 1 53 TYR QD 1 54 GLN H . . 6.830 3.401 3.027 3.701 . 0 0 "[ . 1 . 2]" 1
482 1 53 TYR QE 1 58 ILE H . . 7.630 4.302 3.594 5.068 . 0 0 "[ . 1 . 2]" 1
483 1 53 TYR QE 1 60 VAL QG . . 9.570 2.887 2.504 3.301 . 0 0 "[ . 1 . 2]" 1
484 1 54 GLN H 1 54 GLN QB . . 3.560 2.528 2.341 2.959 . 0 0 "[ . 1 . 2]" 1
485 1 54 GLN H 1 54 GLN HG2 . . 3.760 3.088 2.002 3.797 0.037 2 0 "[ . 1 . 2]" 1
486 1 54 GLN H 1 54 GLN HG3 . . 3.760 2.698 1.852 3.573 . 0 0 "[ . 1 . 2]" 1
487 1 54 GLN HA 1 54 GLN QG . . 3.670 2.829 2.406 3.409 . 0 0 "[ . 1 . 2]" 1
488 1 54 GLN HA 1 55 PRO HD2 . . 3.640 2.717 2.184 3.389 . 0 0 "[ . 1 . 2]" 1
489 1 54 GLN HA 1 55 PRO QD . . 3.030 2.010 1.909 2.082 . 0 0 "[ . 1 . 2]" 1
490 1 54 GLN HA 1 55 PRO HD3 . . 3.640 2.130 1.926 2.365 . 0 0 "[ . 1 . 2]" 1
491 1 54 GLN QB 1 55 PRO QD . . 6.290 2.627 2.105 3.216 . 0 0 "[ . 1 . 2]" 1
492 1 54 GLN HE22 1 57 LEU QD . . 7.480 3.442 2.223 4.657 . 0 0 "[ . 1 . 2]" 1
493 1 54 GLN QG 1 55 PRO QD . . 7.250 3.659 3.268 4.089 . 0 0 "[ . 1 . 2]" 1
494 1 54 GLN QG 1 57 LEU QD . . 8.630 3.026 1.859 3.713 . 0 0 "[ . 1 . 2]" 1
495 1 56 HIS H 1 56 HIS HB3 . . 3.890 2.969 2.478 3.568 . 0 0 "[ . 1 . 2]" 1
496 1 56 HIS H 1 57 LEU H . . 3.360 2.514 1.794 3.195 . 0 0 "[ . 1 . 2]" 1
497 1 56 HIS HA 1 56 HIS HB3 . . 2.710 2.457 2.423 2.523 . 0 0 "[ . 1 . 2]" 1
498 1 56 HIS HA 1 56 HIS HD2 . . 4.320 4.364 4.280 4.417 0.097 1 0 "[ . 1 . 2]" 1
499 1 56 HIS HB2 1 56 HIS HD2 . . 3.330 2.958 2.761 3.116 . 0 0 "[ . 1 . 2]" 1
500 1 56 HIS HD2 1 57 LEU HA . . 4.970 3.164 2.443 4.051 . 0 0 "[ . 1 . 2]" 1
501 1 56 HIS HD2 1 57 LEU MD1 . . 4.230 3.029 2.119 3.459 . 0 0 "[ . 1 . 2]" 1
502 1 56 HIS HD2 1 57 LEU QD . . 3.520 2.178 1.941 2.466 . 0 0 "[ . 1 . 2]" 1
503 1 56 HIS HD2 1 57 LEU MD2 . . 4.230 2.518 1.952 3.372 . 0 0 "[ . 1 . 2]" 1
504 1 57 LEU H 1 57 LEU HA . . 2.870 2.914 2.883 2.957 0.087 1 0 "[ . 1 . 2]" 1
505 1 57 LEU H 1 57 LEU HB2 . . 3.550 2.253 2.132 2.421 . 0 0 "[ . 1 . 2]" 1
506 1 57 LEU H 1 57 LEU QB . . 2.990 2.217 2.085 2.386 . 0 0 "[ . 1 . 2]" 1
507 1 57 LEU H 1 57 LEU HB3 . . 3.550 3.341 2.886 3.596 0.046 1 0 "[ . 1 . 2]" 1
508 1 57 LEU H 1 57 LEU MD1 . . 5.190 3.921 3.680 4.184 . 0 0 "[ . 1 . 2]" 1
509 1 57 LEU H 1 57 LEU QD . . 4.490 2.749 2.047 3.465 . 0 0 "[ . 1 . 2]" 1
510 1 57 LEU H 1 57 LEU MD2 . . 5.190 2.944 2.056 4.102 . 0 0 "[ . 1 . 2]" 1
511 1 57 LEU H 1 58 ILE H . . 2.400 2.383 2.220 2.463 0.063 17 0 "[ . 1 . 2]" 1
512 1 57 LEU HA 1 57 LEU MD1 . . 4.760 1.988 1.909 2.077 . 0 0 "[ . 1 . 2]" 1
513 1 57 LEU HA 1 57 LEU QD . . 3.840 1.928 1.856 1.994 . 0 0 "[ . 1 . 2]" 1
514 1 57 LEU HA 1 57 LEU MD2 . . 4.760 2.828 2.381 3.767 . 0 0 "[ . 1 . 2]" 1
515 1 57 LEU HA 1 57 LEU HG . . 4.010 3.513 2.823 3.793 . 0 0 "[ . 1 . 2]" 1
516 1 57 LEU HA 1 58 ILE H . . 3.580 3.497 3.446 3.544 . 0 0 "[ . 1 . 2]" 1
517 1 57 LEU QB 1 58 ILE MG . . 6.010 2.471 2.202 2.753 . 0 0 "[ . 1 . 2]" 1
518 1 57 LEU HB2 1 58 ILE H . . 3.270 2.765 2.164 3.329 0.059 10 0 "[ . 1 . 2]" 1
519 1 57 LEU HB3 1 58 ILE H . . 3.270 2.941 2.397 3.296 0.026 13 0 "[ . 1 . 2]" 1
520 1 57 LEU MD1 1 58 ILE H . . 6.530 4.558 4.091 4.689 . 0 0 "[ . 1 . 2]" 1
521 1 57 LEU MD2 1 58 ILE H . . 6.530 4.226 3.750 4.724 . 0 0 "[ . 1 . 2]" 1
522 1 58 ILE H 1 58 ILE HA . . 2.830 2.879 2.849 2.911 0.081 14 0 "[ . 1 . 2]" 1
523 1 58 ILE H 1 58 ILE HB . . 3.580 3.479 3.322 3.593 0.013 18 0 "[ . 1 . 2]" 1
524 1 58 ILE H 1 58 ILE MG . . 3.430 2.526 2.367 2.657 . 0 0 "[ . 1 . 2]" 1
525 1 58 ILE HA 1 58 ILE HB . . 2.400 2.447 2.418 2.462 0.062 13 0 "[ . 1 . 2]" 1
526 1 58 ILE HA 1 58 ILE QG . . 3.520 2.523 2.361 3.096 . 0 0 "[ . 1 . 2]" 1
527 1 58 ILE HA 1 59 SER H . . 2.490 2.360 2.266 2.467 . 0 0 "[ . 1 . 2]" 1
528 1 58 ILE HB 1 59 SER H . . 4.660 3.751 3.657 3.813 . 0 0 "[ . 1 . 2]" 1
529 1 58 ILE MD 1 59 SER H . . 4.200 3.281 1.867 3.609 . 0 0 "[ . 1 . 2]" 1
530 1 58 ILE QG 1 59 SER H . . 3.020 1.868 1.740 1.902 . 0 0 "[ . 1 . 2]" 1
531 1 58 ILE HG12 1 59 SER H . . 3.210 2.323 1.746 3.295 0.085 13 0 "[ . 1 . 2]" 1
532 1 58 ILE HG13 1 59 SER H . . 3.210 2.096 1.822 3.355 0.145 2 0 "[ . 1 . 2]" 1
533 1 59 SER H 1 59 SER HB2 . . 3.790 3.172 2.523 3.804 0.014 14 0 "[ . 1 . 2]" 1
534 1 59 SER H 1 59 SER QB . . 3.510 2.734 2.482 3.086 . 0 0 "[ . 1 . 2]" 1
535 1 59 SER H 1 59 SER HB3 . . 3.790 3.391 2.695 3.841 0.051 8 0 "[ . 1 . 2]" 1
536 1 59 SER H 1 60 VAL H . . 4.760 4.135 3.680 4.381 . 0 0 "[ . 1 . 2]" 1
537 1 59 SER H 1 62 GLU QB . . 5.510 4.051 3.516 4.512 . 0 0 "[ . 1 . 2]" 1
538 1 59 SER HA 1 59 SER QB . . 2.720 2.291 2.211 2.371 . 0 0 "[ . 1 . 2]" 1
539 1 59 SER HA 1 60 VAL H . . 2.400 2.065 2.018 2.104 . 0 0 "[ . 1 . 2]" 1
540 1 59 SER HA 1 60 VAL QG . . 6.510 3.576 3.464 3.700 . 0 0 "[ . 1 . 2]" 1
541 1 59 SER HA 1 61 GLU H . . 3.270 3.314 3.285 3.347 0.077 17 0 "[ . 1 . 2]" 1
542 1 59 SER QB 1 60 VAL H . . 3.870 3.486 3.400 3.603 . 0 0 "[ . 1 . 2]" 1
543 1 59 SER QB 1 61 GLU H . . 4.390 2.994 2.603 3.472 . 0 0 "[ . 1 . 2]" 1
544 1 60 VAL H 1 60 VAL HA . . 2.800 2.858 2.840 2.896 0.096 3 0 "[ . 1 . 2]" 1
545 1 60 VAL H 1 60 VAL HB . . 2.400 2.418 2.326 2.449 0.049 8 0 "[ . 1 . 2]" 1
546 1 60 VAL H 1 60 VAL MG1 . . 4.480 3.766 3.729 3.785 . 0 0 "[ . 1 . 2]" 1
547 1 60 VAL H 1 60 VAL QG . . 3.670 2.117 1.997 2.348 . 0 0 "[ . 1 . 2]" 1
548 1 60 VAL H 1 60 VAL MG2 . . 4.480 2.129 2.005 2.374 . 0 0 "[ . 1 . 2]" 1
549 1 60 VAL H 1 61 GLU H . . 3.730 2.442 2.222 2.565 . 0 0 "[ . 1 . 2]" 1
550 1 60 VAL HA 1 60 VAL MG1 . . 3.430 2.474 2.425 2.540 . 0 0 "[ . 1 . 2]" 1
551 1 60 VAL HA 1 60 VAL MG2 . . 3.430 2.377 2.305 2.421 . 0 0 "[ . 1 . 2]" 1
552 1 60 VAL HA 1 61 GLU H . . 3.360 3.395 3.365 3.419 0.059 15 0 "[ . 1 . 2]" 1
553 1 60 VAL HA 1 62 GLU H . . 4.880 3.800 3.353 4.100 . 0 0 "[ . 1 . 2]" 1
554 1 60 VAL HA 1 63 MET H . . 4.230 3.150 2.927 3.488 . 0 0 "[ . 1 . 2]" 1
555 1 60 VAL HA 1 63 MET QB . . 4.700 2.801 2.123 3.829 . 0 0 "[ . 1 . 2]" 1
556 1 60 VAL HB 1 61 GLU H . . 3.170 3.023 2.819 3.186 0.016 5 0 "[ . 1 . 2]" 1
557 1 60 VAL QG 1 61 GLU H . . 4.560 3.448 3.298 3.549 . 0 0 "[ . 1 . 2]" 1
558 1 60 VAL QG 1 61 GLU HA . . 8.090 3.749 3.508 3.996 . 0 0 "[ . 1 . 2]" 1
559 1 60 VAL QG 1 62 GLU H . . 6.140 4.453 4.170 4.637 . 0 0 "[ . 1 . 2]" 1
560 1 60 VAL QG 1 63 MET H . . 5.480 4.002 3.793 4.124 . 0 0 "[ . 1 . 2]" 1
561 1 60 VAL MG1 1 61 GLU H . . 5.290 3.810 3.553 3.999 . 0 0 "[ . 1 . 2]" 1
562 1 60 VAL MG2 1 61 GLU H . . 5.290 3.944 3.831 4.067 . 0 0 "[ . 1 . 2]" 1
563 1 61 GLU H 1 61 GLU HA . . 2.800 2.837 2.815 2.867 0.067 3 0 "[ . 1 . 2]" 1
564 1 61 GLU H 1 61 GLU HB2 . . 2.650 2.397 2.233 2.573 . 0 0 "[ . 1 . 2]" 1
565 1 61 GLU H 1 61 GLU QB . . 2.390 2.188 2.128 2.224 . 0 0 "[ . 1 . 2]" 1
566 1 61 GLU H 1 61 GLU HB3 . . 2.650 2.546 2.387 2.680 0.030 15 0 "[ . 1 . 2]" 1
567 1 61 GLU H 1 61 GLU HG2 . . 4.910 4.409 4.247 4.475 . 0 0 "[ . 1 . 2]" 1
568 1 61 GLU H 1 61 GLU QG . . 4.260 3.923 3.897 3.936 . 0 0 "[ . 1 . 2]" 1
569 1 61 GLU H 1 61 GLU HG3 . . 4.910 4.406 4.331 4.557 . 0 0 "[ . 1 . 2]" 1
570 1 61 GLU H 1 62 GLU H . . 2.680 2.562 2.332 2.670 . 0 0 "[ . 1 . 2]" 1
571 1 61 GLU HA 1 61 GLU QG . . 3.680 2.378 2.284 2.482 . 0 0 "[ . 1 . 2]" 1
572 1 61 GLU HA 1 62 GLU H . . 3.610 3.469 3.376 3.524 . 0 0 "[ . 1 . 2]" 1
573 1 61 GLU HA 1 64 LYS H . . 3.170 3.193 3.135 3.250 0.080 6 0 "[ . 1 . 2]" 1
574 1 61 GLU HA 1 64 LYS QB . . 4.110 2.547 2.211 3.418 . 0 0 "[ . 1 . 2]" 1
575 1 61 GLU HA 1 64 LYS QG . . 6.380 2.898 1.917 4.182 . 0 0 "[ . 1 . 2]" 1
576 1 61 GLU HA 1 65 LYS H . . 5.340 4.498 4.245 4.732 . 0 0 "[ . 1 . 2]" 1
577 1 61 GLU QB 1 62 GLU H . . 4.450 2.779 2.559 3.098 . 0 0 "[ . 1 . 2]" 1
578 1 61 GLU QG 1 76 VAL MG1 . . 6.290 2.737 1.962 4.371 . 0 0 "[ . 1 . 2]" 1
579 1 62 GLU H 1 62 GLU HB2 . . 2.430 2.458 2.434 2.479 0.049 9 0 "[ . 1 . 2]" 1
580 1 62 GLU H 1 62 GLU HB3 . . 2.430 2.451 2.435 2.474 0.044 16 0 "[ . 1 . 2]" 1
581 1 62 GLU H 1 62 GLU QG . . 4.550 4.012 3.966 4.057 . 0 0 "[ . 1 . 2]" 1
582 1 62 GLU H 1 63 MET H . . 2.400 2.416 2.279 2.465 0.065 15 0 "[ . 1 . 2]" 1
583 1 62 GLU HA 1 65 LYS H . . 3.360 3.284 2.979 3.408 0.048 19 0 "[ . 1 . 2]" 1
584 1 62 GLU HA 1 65 LYS HB2 . . 4.170 2.954 2.357 3.441 . 0 0 "[ . 1 . 2]" 1
585 1 62 GLU HA 1 65 LYS QB . . 3.870 2.688 2.187 3.073 . 0 0 "[ . 1 . 2]" 1
586 1 62 GLU HA 1 65 LYS HB3 . . 4.170 3.114 2.591 3.457 . 0 0 "[ . 1 . 2]" 1
587 1 62 GLU QB 1 63 MET H . . 3.420 2.430 2.347 2.509 . 0 0 "[ . 1 . 2]" 1
588 1 62 GLU HB2 1 63 MET H . . 3.670 3.702 3.650 3.727 0.057 3 0 "[ . 1 . 2]" 1
589 1 62 GLU HB3 1 63 MET H . . 3.670 2.464 2.376 2.550 . 0 0 "[ . 1 . 2]" 1
590 1 63 MET H 1 63 MET HA . . 2.740 2.826 2.772 2.845 0.105 6 0 "[ . 1 . 2]" 1
591 1 63 MET H 1 63 MET HB2 . . 3.700 2.392 2.190 2.560 . 0 0 "[ . 1 . 2]" 1
592 1 63 MET H 1 63 MET HB3 . . 3.700 3.492 2.569 3.629 . 0 0 "[ . 1 . 2]" 1
593 1 63 MET H 1 63 MET ME . . 4.880 3.052 2.567 4.070 . 0 0 "[ . 1 . 2]" 1
594 1 63 MET H 1 63 MET QG . . 4.300 2.736 2.027 3.959 . 0 0 "[ . 1 . 2]" 1
595 1 63 MET H 1 64 LYS H . . 2.590 2.566 2.466 2.617 0.027 10 0 "[ . 1 . 2]" 1
596 1 63 MET HA 1 63 MET HB2 . . 2.870 2.935 2.556 2.989 0.119 5 0 "[ . 1 . 2]" 1
597 1 63 MET HA 1 63 MET QB . . 2.620 2.391 2.341 2.462 . 0 0 "[ . 1 . 2]" 1
598 1 63 MET HA 1 63 MET HB3 . . 2.870 2.562 2.447 2.975 0.105 19 0 "[ . 1 . 2]" 1
599 1 63 MET HA 1 63 MET ME . . 4.230 2.079 1.837 2.258 . 0 0 "[ . 1 . 2]" 1
600 1 63 MET HA 1 66 GLN H . . 4.510 3.660 3.308 4.099 . 0 0 "[ . 1 . 2]" 1
601 1 63 MET QB 1 64 LYS H . . 3.520 2.747 2.497 3.093 . 0 0 "[ . 1 . 2]" 1
602 1 63 MET HB2 1 63 MET ME . . 4.730 3.732 3.173 3.868 . 0 0 "[ . 1 . 2]" 1
603 1 63 MET HB3 1 63 MET ME . . 4.730 3.613 2.189 3.860 . 0 0 "[ . 1 . 2]" 1
604 1 63 MET ME 1 66 GLN H . . 5.750 4.502 4.076 4.643 . 0 0 "[ . 1 . 2]" 1
605 1 63 MET QG 1 64 LYS H . . 6.380 4.232 3.913 4.767 . 0 0 "[ . 1 . 2]" 1
606 1 64 LYS H 1 64 LYS QB . . 3.460 2.350 2.091 2.591 . 0 0 "[ . 1 . 2]" 1
607 1 64 LYS H 1 64 LYS QD . . 5.010 3.708 2.546 4.373 . 0 0 "[ . 1 . 2]" 1
608 1 64 LYS H 1 64 LYS QG . . 4.210 2.794 2.110 3.913 . 0 0 "[ . 1 . 2]" 1
609 1 64 LYS H 1 65 LYS H . . 2.650 2.462 2.124 2.707 0.057 18 0 "[ . 1 . 2]" 1
610 1 64 LYS HA 1 64 LYS QD . . 4.420 2.543 2.003 4.039 . 0 0 "[ . 1 . 2]" 1
611 1 64 LYS HA 1 65 LYS H . . 3.550 3.478 3.366 3.545 . 0 0 "[ . 1 . 2]" 1
612 1 64 LYS HA 1 67 ILE H . . 4.790 3.165 2.831 3.459 . 0 0 "[ . 1 . 2]" 1
613 1 64 LYS HA 1 67 ILE HB . . 4.230 2.683 2.126 3.805 . 0 0 "[ . 1 . 2]" 1
614 1 64 LYS HA 1 68 GLU H . . 5.070 4.412 4.008 5.147 0.077 6 0 "[ . 1 . 2]" 1
615 1 64 LYS QD 1 67 ILE MD . . 5.020 2.479 1.847 3.602 . 0 0 "[ . 1 . 2]" 1
616 1 65 LYS H 1 65 LYS HA . . 2.800 2.833 2.814 2.864 0.064 3 0 "[ . 1 . 2]" 1
617 1 65 LYS H 1 65 LYS HB2 . . 2.430 2.451 2.432 2.482 0.052 12 0 "[ . 1 . 2]" 1
618 1 65 LYS H 1 65 LYS HB3 . . 2.430 2.464 2.439 2.486 0.056 8 0 "[ . 1 . 2]" 1
619 1 65 LYS H 1 65 LYS HD2 . . 5.190 4.782 4.548 5.006 . 0 0 "[ . 1 . 2]" 1
620 1 65 LYS H 1 65 LYS QD . . 4.960 4.267 4.161 4.366 . 0 0 "[ . 1 . 2]" 1
621 1 65 LYS H 1 65 LYS HD3 . . 5.190 4.807 4.625 4.947 . 0 0 "[ . 1 . 2]" 1
622 1 65 LYS H 1 65 LYS HG2 . . 5.040 4.483 4.410 4.584 . 0 0 "[ . 1 . 2]" 1
623 1 65 LYS H 1 65 LYS QG . . 4.400 3.979 3.938 4.016 . 0 0 "[ . 1 . 2]" 1
624 1 65 LYS H 1 65 LYS HG3 . . 5.040 4.454 4.404 4.576 . 0 0 "[ . 1 . 2]" 1
625 1 65 LYS HA 1 66 GLN H . . 3.450 3.487 3.456 3.520 0.070 7 0 "[ . 1 . 2]" 1
626 1 65 LYS HA 1 67 ILE H . . 4.200 4.159 3.760 4.254 0.054 8 0 "[ . 1 . 2]" 1
627 1 65 LYS HA 1 68 GLU H . . 3.270 3.274 3.225 3.323 0.053 18 0 "[ . 1 . 2]" 1
628 1 65 LYS HA 1 68 GLU QB . . 3.990 2.512 2.149 3.198 . 0 0 "[ . 1 . 2]" 1
629 1 65 LYS QB 1 65 LYS QG . . 2.450 2.072 2.018 2.119 . 0 0 "[ . 1 . 2]" 1
630 1 65 LYS QB 1 66 GLN H . . 4.270 2.662 2.402 2.824 . 0 0 "[ . 1 . 2]" 1
631 1 66 GLN H 1 66 GLN HA . . 2.770 2.832 2.814 2.845 0.075 10 0 "[ . 1 . 2]" 1
632 1 66 GLN H 1 66 GLN HB2 . . 3.480 2.736 2.415 3.550 0.070 16 0 "[ . 1 . 2]" 1
633 1 66 GLN H 1 66 GLN QB . . 2.970 2.513 2.304 2.596 . 0 0 "[ . 1 . 2]" 1
634 1 66 GLN H 1 66 GLN HB3 . . 3.480 3.367 2.335 3.559 0.079 12 0 "[ . 1 . 2]" 1
635 1 66 GLN H 1 66 GLN HG2 . . 3.270 2.325 1.798 3.285 0.015 11 0 "[ . 1 . 2]" 1
636 1 66 GLN H 1 66 GLN QG . . 2.840 1.902 1.791 2.374 . 0 0 "[ . 1 . 2]" 1
637 1 66 GLN H 1 66 GLN HG3 . . 3.270 2.904 1.979 3.349 0.079 13 0 "[ . 1 . 2]" 1
638 1 66 GLN H 1 67 ILE H . . 2.900 2.505 2.418 2.672 . 0 0 "[ . 1 . 2]" 1
639 1 66 GLN H 1 67 ILE QG . . 6.380 3.952 3.839 4.096 . 0 0 "[ . 1 . 2]" 1
640 1 66 GLN HA 1 69 ALA H . . 3.020 3.067 3.022 3.091 0.071 11 0 "[ . 1 . 2]" 1
641 1 66 GLN HA 1 69 ALA MB . . 3.830 2.260 2.125 2.346 . 0 0 "[ . 1 . 2]" 1
642 1 66 GLN QB 1 67 ILE H . . 4.240 2.714 2.442 3.630 . 0 0 "[ . 1 . 2]" 1
643 1 66 GLN HE21 1 66 GLN QG . . 3.140 2.412 2.186 2.959 . 0 0 "[ . 1 . 2]" 1
644 1 67 ILE H 1 67 ILE HA . . 2.930 2.862 2.850 2.879 . 0 0 "[ . 1 . 2]" 1
645 1 67 ILE H 1 67 ILE HB . . 2.430 2.334 2.194 2.467 0.037 6 0 "[ . 1 . 2]" 1
646 1 67 ILE H 1 67 ILE MD . . 4.420 3.470 3.350 3.608 . 0 0 "[ . 1 . 2]" 1
647 1 67 ILE H 1 67 ILE HG12 . . 3.360 3.407 3.361 3.469 0.109 11 0 "[ . 1 . 2]" 1
648 1 67 ILE H 1 67 ILE QG . . 3.090 2.107 2.001 2.195 . 0 0 "[ . 1 . 2]" 1
649 1 67 ILE H 1 67 ILE HG13 . . 3.360 2.128 2.017 2.220 . 0 0 "[ . 1 . 2]" 1
650 1 67 ILE H 1 67 ILE MG . . 4.360 3.721 3.676 3.745 . 0 0 "[ . 1 . 2]" 1
651 1 67 ILE H 1 68 GLU H . . 2.520 2.420 2.349 2.500 . 0 0 "[ . 1 . 2]" 1
652 1 67 ILE HA 1 67 ILE HG12 . . 3.210 2.445 2.330 2.621 . 0 0 "[ . 1 . 2]" 1
653 1 67 ILE HA 1 67 ILE QG . . 2.900 2.323 2.216 2.474 . 0 0 "[ . 1 . 2]" 1
654 1 67 ILE HA 1 67 ILE HG13 . . 3.210 2.905 2.769 3.035 . 0 0 "[ . 1 . 2]" 1
655 1 67 ILE HA 1 67 ILE MG . . 3.430 2.496 2.393 2.571 . 0 0 "[ . 1 . 2]" 1
656 1 67 ILE HA 1 68 GLU H . . 3.480 3.436 3.384 3.473 . 0 0 "[ . 1 . 2]" 1
657 1 67 ILE HA 1 70 MET H . . 4.910 3.618 3.450 3.757 . 0 0 "[ . 1 . 2]" 1
658 1 67 ILE HA 1 70 MET ME . . 4.920 3.219 2.994 3.411 . 0 0 "[ . 1 . 2]" 1
659 1 67 ILE HA 1 70 MET QG . . 6.220 2.140 2.003 2.324 . 0 0 "[ . 1 . 2]" 1
660 1 67 ILE HB 1 67 ILE MD . . 3.430 2.441 2.353 2.511 . 0 0 "[ . 1 . 2]" 1
661 1 67 ILE HB 1 68 GLU H . . 2.650 2.700 2.655 2.754 0.104 8 0 "[ . 1 . 2]" 1
662 1 67 ILE MD 1 74 ALA MB . . 7.560 4.188 3.527 4.782 . 0 0 "[ . 1 . 2]" 1
663 1 67 ILE QG 1 70 MET ME . . 5.390 3.687 3.514 3.759 . 0 0 "[ . 1 . 2]" 1
664 1 67 ILE MG 1 68 GLU H . . 4.610 3.523 3.379 3.622 . 0 0 "[ . 1 . 2]" 1
665 1 67 ILE MG 1 72 PHE H . . 5.780 3.719 3.590 3.862 . 0 0 "[ . 1 . 2]" 1
666 1 67 ILE MG 1 72 PHE HB2 . . 3.520 1.938 1.867 2.020 . 0 0 "[ . 1 . 2]" 1
667 1 67 ILE MG 1 72 PHE HB3 . . 3.950 2.765 2.492 3.108 . 0 0 "[ . 1 . 2]" 1
668 1 67 ILE MG 1 72 PHE QD . . 6.600 3.184 2.106 3.661 . 0 0 "[ . 1 . 2]" 1
669 1 67 ILE MG 1 74 ALA MB . . 5.820 3.305 2.597 3.721 . 0 0 "[ . 1 . 2]" 1
670 1 68 GLU H 1 68 GLU HB2 . . 3.580 2.376 2.305 2.540 . 0 0 "[ . 1 . 2]" 1
671 1 68 GLU H 1 68 GLU QB . . 3.220 2.344 2.278 2.491 . 0 0 "[ . 1 . 2]" 1
672 1 68 GLU H 1 68 GLU HB3 . . 3.580 3.581 3.554 3.622 0.042 6 0 "[ . 1 . 2]" 1
673 1 68 GLU H 1 68 GLU QG . . 3.620 2.381 2.073 2.642 . 0 0 "[ . 1 . 2]" 1
674 1 68 GLU H 1 69 ALA H . . 2.740 2.321 2.240 2.391 . 0 0 "[ . 1 . 2]" 1
675 1 68 GLU H 1 69 ALA MB . . 5.500 4.017 3.951 4.083 . 0 0 "[ . 1 . 2]" 1
676 1 68 GLU H 1 74 ALA MB . . 5.970 4.511 4.233 4.810 . 0 0 "[ . 1 . 2]" 1
677 1 68 GLU HA 1 68 GLU HB2 . . 2.990 3.017 3.011 3.027 0.037 6 0 "[ . 1 . 2]" 1
678 1 68 GLU HA 1 68 GLU QB . . 2.580 2.376 2.314 2.405 . 0 0 "[ . 1 . 2]" 1
679 1 68 GLU HA 1 68 GLU HB3 . . 2.990 2.487 2.402 2.527 . 0 0 "[ . 1 . 2]" 1
680 1 68 GLU HA 1 68 GLU HG2 . . 3.240 2.530 2.463 2.614 . 0 0 "[ . 1 . 2]" 1
681 1 68 GLU HA 1 68 GLU HG3 . . 3.240 2.942 2.812 3.246 0.006 3 0 "[ . 1 . 2]" 1
682 1 68 GLU HA 1 71 GLY H . . 3.390 3.446 3.411 3.472 0.082 16 0 "[ . 1 . 2]" 1
683 1 68 GLU HA 1 72 PHE H . . 2.830 2.647 2.344 2.864 0.034 12 0 "[ . 1 . 2]" 1
684 1 68 GLU QB 1 69 ALA H . . 3.510 2.895 2.743 2.986 . 0 0 "[ . 1 . 2]" 1
685 1 68 GLU QB 1 69 ALA MB . . 7.400 3.920 3.821 3.985 . 0 0 "[ . 1 . 2]" 1
686 1 68 GLU HB2 1 69 ALA H . . 3.830 2.987 2.806 3.101 . 0 0 "[ . 1 . 2]" 1
687 1 68 GLU HB3 1 69 ALA H . . 3.830 3.891 3.854 3.935 0.105 3 0 "[ . 1 . 2]" 1
688 1 68 GLU QG 1 74 ALA H . . 3.610 1.925 1.784 2.193 . 0 0 "[ . 1 . 2]" 1
689 1 68 GLU QG 1 74 ALA MB . . 6.720 2.347 2.151 2.455 . 0 0 "[ . 1 . 2]" 1
690 1 68 GLU HG2 1 74 ALA H . . 3.830 1.938 1.793 2.210 . 0 0 "[ . 1 . 2]" 1
691 1 68 GLU HG3 1 74 ALA H . . 3.830 3.312 3.100 3.671 . 0 0 "[ . 1 . 2]" 1
692 1 69 ALA H 1 69 ALA HA . . 2.900 2.911 2.896 2.920 0.020 16 0 "[ . 1 . 2]" 1
693 1 69 ALA H 1 69 ALA MB . . 3.430 2.254 2.237 2.268 . 0 0 "[ . 1 . 2]" 1
694 1 69 ALA H 1 70 MET H . . 2.680 2.417 2.374 2.520 . 0 0 "[ . 1 . 2]" 1
695 1 69 ALA H 1 70 MET QB . . 5.200 4.523 4.393 4.573 . 0 0 "[ . 1 . 2]" 1
696 1 69 ALA H 1 71 GLY H . . 4.010 3.753 3.714 3.845 . 0 0 "[ . 1 . 2]" 1
697 1 69 ALA HA 1 71 GLY H . . 4.040 3.831 3.791 3.885 . 0 0 "[ . 1 . 2]" 1
698 1 69 ALA MB 1 70 MET H . . 3.950 2.563 2.532 2.624 . 0 0 "[ . 1 . 2]" 1
699 1 69 ALA MB 1 70 MET QG . . 6.910 3.910 3.792 4.445 . 0 0 "[ . 1 . 2]" 1
700 1 69 ALA MB 1 71 GLY H . . 5.010 4.238 4.224 4.257 . 0 0 "[ . 1 . 2]" 1
701 1 70 MET H 1 70 MET HA . . 2.770 2.840 2.829 2.846 0.076 11 0 "[ . 1 . 2]" 1
702 1 70 MET H 1 70 MET HB2 . . 3.420 3.509 3.484 3.520 0.100 16 0 "[ . 1 . 2]" 1
703 1 70 MET H 1 70 MET QB . . 3.020 2.448 2.227 2.524 . 0 0 "[ . 1 . 2]" 1
704 1 70 MET H 1 70 MET HB3 . . 3.420 2.500 2.253 2.587 . 0 0 "[ . 1 . 2]" 1
705 1 70 MET H 1 70 MET ME . . 5.630 4.623 4.576 4.660 . 0 0 "[ . 1 . 2]" 1
706 1 70 MET H 1 70 MET HG2 . . 3.330 2.457 1.838 3.291 . 0 0 "[ . 1 . 2]" 1
707 1 70 MET H 1 70 MET QG . . 2.920 1.937 1.811 2.505 . 0 0 "[ . 1 . 2]" 1
708 1 70 MET H 1 70 MET HG3 . . 3.330 2.621 1.820 3.116 . 0 0 "[ . 1 . 2]" 1
709 1 70 MET H 1 71 GLY H . . 2.520 2.539 2.514 2.550 0.030 19 0 "[ . 1 . 2]" 1
710 1 70 MET H 1 71 GLY QA . . 5.260 4.543 4.527 4.554 . 0 0 "[ . 1 . 2]" 1
711 1 70 MET H 1 72 PHE H . . 3.890 3.866 3.782 3.920 0.030 2 0 "[ . 1 . 2]" 1
712 1 70 MET HA 1 70 MET HG2 . . 4.200 3.933 3.687 4.226 0.026 12 0 "[ . 1 . 2]" 1
713 1 70 MET HA 1 70 MET QG . . 3.890 3.373 3.320 3.455 . 0 0 "[ . 1 . 2]" 1
714 1 70 MET HA 1 70 MET HG3 . . 4.200 3.707 3.577 3.793 . 0 0 "[ . 1 . 2]" 1
715 1 70 MET HA 1 71 GLY H . . 3.360 3.380 3.369 3.403 0.043 6 0 "[ . 1 . 2]" 1
716 1 70 MET QB 1 71 GLY H . . 4.180 3.748 3.635 3.783 . 0 0 "[ . 1 . 2]" 1
717 1 70 MET QB 1 72 PHE QD . . 6.700 4.459 3.832 5.446 . 0 0 "[ . 1 . 2]" 1
718 1 70 MET ME 1 72 PHE QD . . 8.060 2.630 2.246 3.249 . 0 0 "[ . 1 . 2]" 1
719 1 70 MET ME 1 72 PHE QE . . 7.320 2.599 2.130 2.964 . 0 0 "[ . 1 . 2]" 1
720 1 70 MET QG 1 71 GLY H . . 5.320 2.759 2.292 2.952 . 0 0 "[ . 1 . 2]" 1
721 1 70 MET QG 1 72 PHE QD . . 8.500 2.932 2.031 4.509 . 0 0 "[ . 1 . 2]" 1
722 1 71 GLY H 1 71 GLY QA . . 2.560 2.392 2.368 2.413 . 0 0 "[ . 1 . 2]" 1
723 1 71 GLY H 1 72 PHE H . . 2.560 2.187 2.083 2.342 . 0 0 "[ . 1 . 2]" 1
724 1 71 GLY H 1 72 PHE QD . . 7.620 3.999 3.391 5.162 . 0 0 "[ . 1 . 2]" 1
725 1 71 GLY QA 1 72 PHE H . . 3.210 2.931 2.860 2.978 . 0 0 "[ . 1 . 2]" 1
726 1 71 GLY HA2 1 72 PHE H . . 3.550 3.216 3.038 3.385 . 0 0 "[ . 1 . 2]" 1
727 1 71 GLY HA3 1 72 PHE H . . 3.550 3.397 3.286 3.496 . 0 0 "[ . 1 . 2]" 1
728 1 72 PHE H 1 72 PHE HB2 . . 3.300 2.640 2.559 2.730 . 0 0 "[ . 1 . 2]" 1
729 1 72 PHE H 1 72 PHE HB3 . . 3.700 3.743 3.712 3.763 0.063 20 0 "[ . 1 . 2]" 1
730 1 72 PHE HA 1 72 PHE HB3 . . 2.740 2.479 2.374 2.564 . 0 0 "[ . 1 . 2]" 1
731 1 72 PHE HA 1 73 PRO HD2 . . 3.640 2.119 2.025 2.241 . 0 0 "[ . 1 . 2]" 1
732 1 72 PHE HA 1 73 PRO QD . . 3.270 2.068 1.993 2.184 . 0 0 "[ . 1 . 2]" 1
733 1 72 PHE HA 1 73 PRO HD3 . . 3.640 2.896 2.739 3.055 . 0 0 "[ . 1 . 2]" 1
734 1 72 PHE QD 1 73 PRO HD2 . . 7.620 4.511 3.609 4.862 . 0 0 "[ . 1 . 2]" 1
735 1 72 PHE QD 1 73 PRO HD3 . . 7.620 4.838 4.465 5.077 . 0 0 "[ . 1 . 2]" 1
736 1 73 PRO HA 1 74 ALA H . . 2.400 2.101 2.027 2.203 . 0 0 "[ . 1 . 2]" 1
737 1 73 PRO HA 1 74 ALA MB . . 6.030 3.916 3.865 3.962 . 0 0 "[ . 1 . 2]" 1
738 1 73 PRO QB 1 74 ALA H . . 3.360 3.136 3.100 3.173 . 0 0 "[ . 1 . 2]" 1
739 1 73 PRO QB 1 75 PHE QE . . 6.030 3.285 2.579 4.392 . 0 0 "[ . 1 . 2]" 1
740 1 73 PRO HB2 1 74 ALA H . . 3.670 3.615 3.509 3.691 0.021 11 0 "[ . 1 . 2]" 1
741 1 73 PRO HB2 1 75 PHE QE . . 6.410 3.409 2.615 4.528 . 0 0 "[ . 1 . 2]" 1
742 1 73 PRO HB3 1 74 ALA H . . 3.670 3.448 3.366 3.571 . 0 0 "[ . 1 . 2]" 1
743 1 73 PRO HB3 1 75 PHE QE . . 6.410 4.384 3.612 5.918 . 0 0 "[ . 1 . 2]" 1
744 1 74 ALA H 1 74 ALA MB . . 3.430 2.486 2.401 2.546 . 0 0 "[ . 1 . 2]" 1
745 1 74 ALA HA 1 75 PHE H . . 2.400 1.989 1.936 2.057 . 0 0 "[ . 1 . 2]" 1
746 1 74 ALA HA 1 75 PHE QD . . 6.100 3.896 3.159 4.256 . 0 0 "[ . 1 . 2]" 1
747 1 74 ALA MB 1 75 PHE H . . 4.110 3.194 2.873 3.484 . 0 0 "[ . 1 . 2]" 1
748 1 75 PHE H 1 75 PHE HA . . 2.870 2.913 2.848 2.948 0.078 16 0 "[ . 1 . 2]" 1
749 1 75 PHE H 1 75 PHE HB2 . . 3.210 2.585 2.414 2.724 . 0 0 "[ . 1 . 2]" 1
750 1 76 VAL H 1 76 VAL HB . . 3.550 2.620 2.412 3.574 0.024 6 0 "[ . 1 . 2]" 1
751 1 76 VAL HA 1 77 LYS H . . 2.870 2.221 2.073 2.540 . 0 0 "[ . 1 . 2]" 1
752 1 76 VAL MG2 1 77 LYS H . . 5.660 4.047 3.787 4.328 . 0 0 "[ . 1 . 2]" 1
753 1 78 LYS H 1 78 LYS HA . . 2.770 2.684 2.286 2.926 0.156 6 0 "[ . 1 . 2]" 1
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