NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
391389 |
1p9k   |
5818 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1p9k
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 891
_Distance_constraint_stats_list.Viol_count 701
_Distance_constraint_stats_list.Viol_total 522.124
_Distance_constraint_stats_list.Viol_max 0.162
_Distance_constraint_stats_list.Viol_rms 0.0096
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0015
_Distance_constraint_stats_list.Viol_average_violations_only 0.0372
_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 9 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 MET 0.129 0.037 5 0 "[ . 1 . 2]"
1 11 ALA 0.804 0.077 3 0 "[ . 1 . 2]"
1 12 THR 0.338 0.044 17 0 "[ . 1 . 2]"
1 13 PHE 1.854 0.097 13 0 "[ . 1 . 2]"
1 14 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 LEU 0.227 0.045 20 0 "[ . 1 . 2]"
1 16 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 LYS 0.024 0.010 7 0 "[ . 1 . 2]"
1 18 HIS 0.010 0.010 6 0 "[ . 1 . 2]"
1 19 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 HIS 3.374 0.162 1 0 "[ . 1 . 2]"
1 21 VAL 3.464 0.112 13 0 "[ . 1 . 2]"
1 22 GLU 1.378 0.152 5 0 "[ . 1 . 2]"
1 23 LEU 0.206 0.052 5 0 "[ . 1 . 2]"
1 24 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ASP 0.710 0.071 11 0 "[ . 1 . 2]"
1 26 LEU 0.552 0.073 12 0 "[ . 1 . 2]"
1 27 LEU 0.658 0.067 10 0 "[ . 1 . 2]"
1 28 LYS 0.140 0.030 5 0 "[ . 1 . 2]"
1 29 LEU 0.064 0.035 17 0 "[ . 1 . 2]"
1 30 GLU 0.305 0.062 1 0 "[ . 1 . 2]"
1 31 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 TRP 4.357 0.109 3 0 "[ . 1 . 2]"
1 33 SER 0.939 0.055 4 0 "[ . 1 . 2]"
1 34 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 SER 0.279 0.049 18 0 "[ . 1 . 2]"
1 36 GLY 0.363 0.054 12 0 "[ . 1 . 2]"
1 37 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 GLN 0.277 0.045 10 0 "[ . 1 . 2]"
1 39 ALA 0.410 0.082 6 0 "[ . 1 . 2]"
1 40 LYS 0.039 0.017 15 0 "[ . 1 . 2]"
1 41 ILE 0.017 0.014 15 0 "[ . 1 . 2]"
1 42 ALA 0.901 0.082 6 0 "[ . 1 . 2]"
1 43 ILE 0.052 0.020 15 0 "[ . 1 . 2]"
1 44 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 GLU 0.070 0.070 8 0 "[ . 1 . 2]"
1 46 GLY 0.109 0.059 14 0 "[ . 1 . 2]"
1 47 GLN 0.352 0.076 13 0 "[ . 1 . 2]"
1 48 VAL 2.634 0.109 3 0 "[ . 1 . 2]"
1 49 LYS 1.267 0.084 20 0 "[ . 1 . 2]"
1 50 VAL 0.957 0.160 15 0 "[ . 1 . 2]"
1 51 ASP 0.018 0.018 17 0 "[ . 1 . 2]"
1 52 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 ALA 0.860 0.160 15 0 "[ . 1 . 2]"
1 54 VAL 0.499 0.070 20 0 "[ . 1 . 2]"
1 55 GLU 0.317 0.076 13 0 "[ . 1 . 2]"
1 56 THR 0.109 0.059 14 0 "[ . 1 . 2]"
1 57 ARG 0.086 0.022 6 0 "[ . 1 . 2]"
1 58 LYS 0.039 0.039 20 0 "[ . 1 . 2]"
1 59 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 CYS 1.433 0.090 9 0 "[ . 1 . 2]"
1 61 LYS 0.788 0.054 12 0 "[ . 1 . 2]"
1 62 ILE 0.188 0.051 4 0 "[ . 1 . 2]"
1 63 VAL 1.493 0.112 13 0 "[ . 1 . 2]"
1 64 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 GLY 1.723 0.127 20 0 "[ . 1 . 2]"
1 66 GLN 1.778 0.127 20 0 "[ . 1 . 2]"
1 67 THR 0.054 0.019 14 0 "[ . 1 . 2]"
1 68 VAL 1.601 0.131 12 0 "[ . 1 . 2]"
1 69 SER 0.727 0.131 12 0 "[ . 1 . 2]"
1 70 PHE 2.154 0.097 11 0 "[ . 1 . 2]"
1 71 ALA 0.045 0.013 1 0 "[ . 1 . 2]"
1 72 GLY 1.727 0.094 4 0 "[ . 1 . 2]"
1 73 HIS 2.170 0.094 4 0 "[ . 1 . 2]"
1 74 SER 0.142 0.046 18 0 "[ . 1 . 2]"
1 75 VAL 1.304 0.102 14 0 "[ . 1 . 2]"
1 76 GLN 0.266 0.074 16 0 "[ . 1 . 2]"
1 77 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 VAL 0.136 0.042 9 0 "[ . 1 . 2]"
1 79 ALA 0.000 0.000 . 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 9 ASN HA 1 10 MET H 2.800 . 3.800 2.759 2.138 3.562 . 0 0 "[ . 1 . 2]" 1
2 1 9 ASN QB 1 10 MET H 4.000 . 5.000 3.092 1.964 4.033 . 0 0 "[ . 1 . 2]" 1
3 1 10 MET H 1 10 MET HB2 2.800 . 3.800 2.477 2.128 2.689 . 0 0 "[ . 1 . 2]" 1
4 1 10 MET H 1 10 MET HB3 3.500 . 5.000 3.498 2.535 3.694 . 0 0 "[ . 1 . 2]" 1
5 1 10 MET H 1 10 MET HG2 3.500 . 5.100 3.589 2.035 4.619 . 0 0 "[ . 1 . 2]" 1
6 1 10 MET HB2 1 11 ALA H 3.500 . 5.000 4.106 3.315 4.622 . 0 0 "[ . 1 . 2]" 1
7 1 10 MET HB2 1 12 THR H 3.700 . 6.000 5.766 4.769 6.037 0.037 5 0 "[ . 1 . 2]" 1
8 1 10 MET HB3 1 11 ALA H 3.100 . 4.300 3.329 1.990 4.265 . 0 0 "[ . 1 . 2]" 1
9 1 10 MET HB3 1 12 THR H 3.600 . 6.000 5.462 4.441 6.023 0.023 19 0 "[ . 1 . 2]" 1
10 1 10 MET HG2 1 11 ALA H 3.600 . 5.200 4.410 3.239 5.144 . 0 0 "[ . 1 . 2]" 1
11 1 11 ALA H 1 11 ALA MB 2.500 . 3.300 2.157 2.046 2.345 . 0 0 "[ . 1 . 2]" 1
12 1 11 ALA H 1 12 THR H 4.000 . 6.000 4.421 3.935 4.570 . 0 0 "[ . 1 . 2]" 1
13 1 11 ALA H 1 12 THR HG1 4.300 . 6.000 4.702 3.657 5.788 . 0 0 "[ . 1 . 2]" 1
14 1 11 ALA H 1 75 VAL HA 3.500 . 5.000 4.110 3.164 5.012 0.012 3 0 "[ . 1 . 2]" 1
15 1 11 ALA H 1 75 VAL MG1 4.000 . 5.000 3.990 3.212 4.524 . 0 0 "[ . 1 . 2]" 1
16 1 11 ALA H 1 76 GLN H 4.200 . 6.000 4.681 3.986 5.278 . 0 0 "[ . 1 . 2]" 1
17 1 11 ALA HA 1 12 THR HA 4.400 . 6.000 4.394 4.350 4.424 . 0 0 "[ . 1 . 2]" 1
18 1 11 ALA MB 1 12 THR H 2.800 . 6.000 3.188 2.824 3.634 . 0 0 "[ . 1 . 2]" 1
19 1 11 ALA MB 1 12 THR HA 3.800 . 5.600 4.003 3.901 4.115 . 0 0 "[ . 1 . 2]" 1
20 1 11 ALA MB 1 13 PHE H 4.000 . 5.000 5.036 4.961 5.077 0.077 3 0 "[ . 1 . 2]" 1
21 1 11 ALA MB 1 75 VAL HA 2.800 . 3.800 2.740 1.762 3.380 0.038 3 0 "[ . 1 . 2]" 1
22 1 12 THR H 1 12 THR HA 2.600 . 3.500 2.934 2.921 2.946 . 0 0 "[ . 1 . 2]" 1
23 1 12 THR H 1 12 THR HB 3.400 . 4.800 3.513 3.297 3.864 . 0 0 "[ . 1 . 2]" 1
24 1 12 THR H 1 12 THR HG1 2.600 . 3.400 2.553 2.155 2.760 . 0 0 "[ . 1 . 2]" 1
25 1 12 THR H 1 13 PHE H 4.100 . 6.000 4.270 3.987 4.433 . 0 0 "[ . 1 . 2]" 1
26 1 12 THR HA 1 12 THR HB 2.200 . 2.800 2.762 2.449 2.844 0.044 17 0 "[ . 1 . 2]" 1
27 1 12 THR HA 1 12 THR MG 2.200 . 6.000 2.166 1.998 2.387 . 0 0 "[ . 1 . 2]" 1
28 1 12 THR HA 1 13 PHE H 2.300 . 3.000 2.162 2.123 2.193 . 0 0 "[ . 1 . 2]" 1
29 1 12 THR HA 1 13 PHE QB 4.900 . 6.000 4.046 3.991 4.122 . 0 0 "[ . 1 . 2]" 1
30 1 12 THR HA 1 76 GLN H 2.500 . 3.300 2.962 2.230 3.272 . 0 0 "[ . 1 . 2]" 1
31 1 12 THR HA 1 76 GLN HB2 3.400 . 4.800 3.252 2.966 3.828 . 0 0 "[ . 1 . 2]" 1
32 1 12 THR HA 1 76 GLN HB3 4.600 . 6.000 4.497 3.333 4.840 . 0 0 "[ . 1 . 2]" 1
33 1 12 THR HB 1 12 THR MG 2.200 . 2.800 2.102 2.072 2.118 . 0 0 "[ . 1 . 2]" 1
34 1 12 THR HB 1 13 PHE H 3.000 . 4.100 3.470 3.225 3.805 . 0 0 "[ . 1 . 2]" 1
35 1 12 THR HB 1 78 VAL H 3.800 . 5.600 5.031 4.366 5.524 . 0 0 "[ . 1 . 2]" 1
36 1 12 THR HG1 1 13 PHE H 3.600 . 5.200 5.079 4.653 5.188 . 0 0 "[ . 1 . 2]" 1
37 1 12 THR HG1 1 76 GLN H 3.700 . 5.400 5.289 4.890 5.418 0.018 4 0 "[ . 1 . 2]" 1
38 1 12 THR MG 1 76 GLN HB2 2.300 . 6.000 2.507 2.218 2.934 . 0 0 "[ . 1 . 2]" 1
39 1 12 THR MG 1 76 GLN HB3 4.000 . 6.000 3.529 2.211 4.115 . 0 0 "[ . 1 . 2]" 1
40 1 13 PHE H 1 13 PHE HB2 3.100 . 4.300 2.874 2.735 3.158 . 0 0 "[ . 1 . 2]" 1
41 1 13 PHE H 1 13 PHE HB3 2.600 . 3.400 2.542 2.437 2.655 . 0 0 "[ . 1 . 2]" 1
42 1 13 PHE H 1 13 PHE QD 4.300 . 6.000 4.247 4.148 4.325 . 0 0 "[ . 1 . 2]" 1
43 1 13 PHE H 1 14 SER H 4.300 . 5.000 4.389 3.945 4.570 . 0 0 "[ . 1 . 2]" 1
44 1 13 PHE H 1 77 VAL HA 2.600 . 3.400 2.239 1.874 2.805 . 0 0 "[ . 1 . 2]" 1
45 1 13 PHE H 1 77 VAL MG1 3.000 . 6.000 3.663 3.273 3.942 . 0 0 "[ . 1 . 2]" 1
46 1 13 PHE H 1 77 VAL MG2 3.300 . 4.700 3.194 2.675 3.869 . 0 0 "[ . 1 . 2]" 1
47 1 13 PHE H 1 78 VAL H 3.800 . 5.600 3.869 3.240 4.697 . 0 0 "[ . 1 . 2]" 1
48 1 13 PHE HA 1 13 PHE HB2 2.600 . 3.400 2.469 2.425 2.507 . 0 0 "[ . 1 . 2]" 1
49 1 13 PHE HA 1 13 PHE HB3 3.000 . 4.100 3.026 3.023 3.030 . 0 0 "[ . 1 . 2]" 1
50 1 13 PHE QB 1 13 PHE QE 4.000 . 5.000 3.934 3.911 3.951 . 0 0 "[ . 1 . 2]" 1
51 1 13 PHE QB 1 30 GLU HG2 2.400 . 6.000 2.379 1.902 3.501 . 0 0 "[ . 1 . 2]" 1
52 1 13 PHE QB 1 30 GLU HG3 2.700 . 3.600 2.435 1.907 3.303 . 0 0 "[ . 1 . 2]" 1
53 1 13 PHE QB 1 68 VAL HB 3.400 . 6.000 6.011 5.804 6.097 0.097 13 0 "[ . 1 . 2]" 1
54 1 13 PHE HB2 1 13 PHE QD 2.700 . 3.600 2.581 2.253 2.742 . 0 0 "[ . 1 . 2]" 1
55 1 13 PHE HB2 1 14 SER H 3.900 . 5.800 4.131 3.774 4.577 . 0 0 "[ . 1 . 2]" 1
56 1 13 PHE HB2 1 77 VAL HA 3.500 . 5.100 4.048 3.576 4.714 . 0 0 "[ . 1 . 2]" 1
57 1 13 PHE HB3 1 13 PHE QD 2.400 . 6.000 2.320 2.239 2.677 . 0 0 "[ . 1 . 2]" 1
58 1 13 PHE QD 1 14 SER H 3.200 . 4.500 2.998 2.149 3.917 . 0 0 "[ . 1 . 2]" 1
59 1 13 PHE QD 1 14 SER HB2 4.600 . 6.000 5.002 4.246 5.899 . 0 0 "[ . 1 . 2]" 1
60 1 13 PHE QD 1 14 SER HB3 4.500 . 6.000 5.470 4.958 5.813 . 0 0 "[ . 1 . 2]" 1
61 1 13 PHE QD 1 15 LEU H 4.300 . 6.000 4.868 2.959 5.661 . 0 0 "[ . 1 . 2]" 1
62 1 13 PHE QD 1 15 LEU HG 4.000 . 5.000 3.577 2.376 4.990 . 0 0 "[ . 1 . 2]" 1
63 1 13 PHE QD 1 26 LEU MD1 3.000 . 6.000 2.164 1.644 3.448 . 0 0 "[ . 1 . 2]" 1
64 1 13 PHE QE 1 15 LEU MD1 4.000 . 5.000 4.433 3.735 4.971 . 0 0 "[ . 1 . 2]" 1
65 1 13 PHE QE 1 26 LEU MD1 4.000 . 5.000 2.863 2.109 4.089 . 0 0 "[ . 1 . 2]" 1
66 1 13 PHE QE 1 26 LEU MD2 4.000 . 5.000 4.895 4.470 5.073 0.073 12 0 "[ . 1 . 2]" 1
67 1 13 PHE QE 1 29 LEU HG 3.400 . 4.800 4.104 3.136 4.835 0.035 17 0 "[ . 1 . 2]" 1
68 1 14 SER H 1 14 SER HA 2.300 . 3.000 2.912 2.830 2.942 . 0 0 "[ . 1 . 2]" 1
69 1 14 SER H 1 14 SER HB2 2.700 . 3.600 2.600 2.116 3.506 . 0 0 "[ . 1 . 2]" 1
70 1 14 SER H 1 14 SER HB3 2.900 . 3.900 3.328 2.503 3.728 . 0 0 "[ . 1 . 2]" 1
71 1 14 SER H 1 15 LEU H 4.100 . 6.000 4.464 4.196 4.611 . 0 0 "[ . 1 . 2]" 1
72 1 14 SER H 1 78 VAL H 4.200 . 6.000 4.682 4.161 5.080 . 0 0 "[ . 1 . 2]" 1
73 1 14 SER HA 1 14 SER HB2 2.900 . 4.000 2.834 2.459 3.027 . 0 0 "[ . 1 . 2]" 1
74 1 14 SER HA 1 14 SER HB3 2.400 . 3.100 2.646 2.260 3.028 . 0 0 "[ . 1 . 2]" 1
75 1 14 SER HB2 1 15 LEU H 4.400 . 6.000 4.033 2.803 4.666 . 0 0 "[ . 1 . 2]" 1
76 1 14 SER HB3 1 15 LEU H 3.900 . 5.800 3.458 2.711 4.461 . 0 0 "[ . 1 . 2]" 1
77 1 15 LEU H 1 15 LEU HB2 2.400 . 3.100 2.370 2.047 2.750 . 0 0 "[ . 1 . 2]" 1
78 1 15 LEU H 1 15 LEU HB3 3.200 . 4.500 3.396 2.966 3.779 . 0 0 "[ . 1 . 2]" 1
79 1 15 LEU H 1 15 LEU MD1 4.000 . 5.000 4.125 3.533 4.587 . 0 0 "[ . 1 . 2]" 1
80 1 15 LEU H 1 15 LEU MD2 3.300 . 6.000 4.127 3.559 4.431 . 0 0 "[ . 1 . 2]" 1
81 1 15 LEU H 1 15 LEU HG 3.500 . 5.000 3.678 2.672 4.914 . 0 0 "[ . 1 . 2]" 1
82 1 15 LEU H 1 16 GLY H 2.800 . 3.800 2.180 1.846 2.727 . 0 0 "[ . 1 . 2]" 1
83 1 15 LEU H 1 17 LYS H 2.000 . 6.000 5.089 3.438 6.010 0.010 7 0 "[ . 1 . 2]" 1
84 1 15 LEU H 1 78 VAL H 3.700 . 5.400 3.678 2.956 4.053 . 0 0 "[ . 1 . 2]" 1
85 1 15 LEU H 1 79 ALA MB 3.700 . 5.400 4.133 2.706 5.190 . 0 0 "[ . 1 . 2]" 1
86 1 15 LEU HA 1 15 LEU HB2 2.700 . 3.600 2.893 2.697 3.019 . 0 0 "[ . 1 . 2]" 1
87 1 15 LEU HA 1 15 LEU HB3 2.600 . 3.400 2.750 2.419 2.958 . 0 0 "[ . 1 . 2]" 1
88 1 15 LEU HA 1 15 LEU MD1 2.700 . 6.000 3.709 2.298 3.927 . 0 0 "[ . 1 . 2]" 1
89 1 15 LEU HA 1 15 LEU MD2 2.600 . 6.000 2.167 1.884 2.646 . 0 0 "[ . 1 . 2]" 1
90 1 15 LEU HA 1 15 LEU HG 2.700 . 3.600 2.703 2.321 3.609 0.009 14 0 "[ . 1 . 2]" 1
91 1 15 LEU HB2 1 15 LEU HG 2.000 . 2.500 2.482 2.411 2.545 0.045 20 0 "[ . 1 . 2]" 1
92 1 15 LEU HB2 1 16 GLY H 3.000 . 4.200 3.087 2.600 3.536 . 0 0 "[ . 1 . 2]" 1
93 1 15 LEU HB3 1 15 LEU MD1 2.400 . 6.000 2.384 2.216 2.549 . 0 0 "[ . 1 . 2]" 1
94 1 15 LEU HB3 1 15 LEU MD2 2.000 . 6.000 2.361 2.160 3.188 . 0 0 "[ . 1 . 2]" 1
95 1 15 LEU HB3 1 16 GLY H 2.800 . 3.800 3.225 2.791 3.757 . 0 0 "[ . 1 . 2]" 1
96 1 15 LEU MD1 1 15 LEU HG 2.100 . 2.700 2.103 2.081 2.125 . 0 0 "[ . 1 . 2]" 1
97 1 15 LEU MD1 1 18 HIS H 2.000 . 6.000 4.186 3.236 6.010 0.010 6 0 "[ . 1 . 2]" 1
98 1 15 LEU MD1 1 20 HIS HA 2.700 . 6.000 2.884 1.954 3.710 . 0 0 "[ . 1 . 2]" 1
99 1 15 LEU MD2 1 20 HIS HA 2.700 . 6.000 3.473 1.847 5.192 . 0 0 "[ . 1 . 2]" 1
100 1 15 LEU HG 1 16 GLY H 3.600 . 5.200 4.895 4.141 5.196 . 0 0 "[ . 1 . 2]" 1
101 1 16 GLY H 1 16 GLY HA2 2.600 . 3.400 2.386 2.298 2.739 . 0 0 "[ . 1 . 2]" 1
102 1 16 GLY H 1 16 GLY HA3 2.600 . 3.400 2.848 2.302 2.948 . 0 0 "[ . 1 . 2]" 1
103 1 16 GLY H 1 17 LYS H 3.900 . 5.800 3.415 2.253 4.388 . 0 0 "[ . 1 . 2]" 1
104 1 16 GLY H 1 18 HIS H 2.000 . 6.000 4.701 3.901 5.285 . 0 0 "[ . 1 . 2]" 1
105 1 16 GLY H 1 79 ALA MB 3.400 . 6.000 3.728 2.775 5.229 . 0 0 "[ . 1 . 2]" 1
106 1 16 GLY QA 1 18 HIS H 2.000 . 6.000 4.187 3.727 4.695 . 0 0 "[ . 1 . 2]" 1
107 1 16 GLY HA2 1 17 LYS H 4.100 . 6.000 3.237 2.725 3.551 . 0 0 "[ . 1 . 2]" 1
108 1 16 GLY HA3 1 17 LYS H 3.600 . 5.300 2.758 2.140 3.559 . 0 0 "[ . 1 . 2]" 1
109 1 17 LYS H 1 17 LYS HA 2.800 . 3.800 2.657 2.270 2.933 . 0 0 "[ . 1 . 2]" 1
110 1 17 LYS H 1 17 LYS HB2 3.600 . 5.300 3.121 2.044 3.988 . 0 0 "[ . 1 . 2]" 1
111 1 17 LYS H 1 17 LYS HB3 4.100 . 6.000 3.565 2.805 4.097 . 0 0 "[ . 1 . 2]" 1
112 1 17 LYS H 1 18 HIS H 2.000 . 5.800 2.712 2.103 3.053 . 0 0 "[ . 1 . 2]" 1
113 1 17 LYS HA 1 18 HIS H 2.000 . 4.000 2.724 2.407 3.537 . 0 0 "[ . 1 . 2]" 1
114 1 17 LYS QB 1 18 HIS H 2.000 . 6.000 3.813 2.705 4.033 . 0 0 "[ . 1 . 2]" 1
115 1 18 HIS H 1 19 PRO QD 2.000 . 4.500 4.400 4.378 4.434 . 0 0 "[ . 1 . 2]" 1
116 1 18 HIS H 1 20 HIS H 2.000 . 6.000 5.103 4.748 5.884 . 0 0 "[ . 1 . 2]" 1
117 1 18 HIS HA 1 20 HIS H 2.000 . 6.000 4.483 4.163 5.024 . 0 0 "[ . 1 . 2]" 1
118 1 18 HIS QB 1 20 HIS H 2.000 . 6.000 2.737 2.374 3.227 . 0 0 "[ . 1 . 2]" 1
119 1 19 PRO HA 1 20 HIS H 3.000 . 4.100 3.541 3.504 3.578 . 0 0 "[ . 1 . 2]" 1
120 1 19 PRO HB2 1 20 HIS H 2.600 . 3.400 3.009 2.426 3.338 . 0 0 "[ . 1 . 2]" 1
121 1 19 PRO HB3 1 20 HIS H 3.800 . 5.600 4.023 3.704 4.213 . 0 0 "[ . 1 . 2]" 1
122 1 19 PRO HD2 1 20 HIS H 2.700 . 3.600 3.032 2.716 3.356 . 0 0 "[ . 1 . 2]" 1
123 1 19 PRO HD3 1 20 HIS H 3.200 . 4.500 4.028 3.854 4.207 . 0 0 "[ . 1 . 2]" 1
124 1 19 PRO HG2 1 20 HIS H 2.400 . 3.100 2.297 1.989 2.592 . 0 0 "[ . 1 . 2]" 1
125 1 19 PRO HG3 1 20 HIS H 4.400 . 6.000 3.858 3.585 4.091 . 0 0 "[ . 1 . 2]" 1
126 1 20 HIS H 1 20 HIS HA 2.500 . 3.300 2.718 2.664 2.777 . 0 0 "[ . 1 . 2]" 1
127 1 20 HIS H 1 20 HIS HB2 3.600 . 5.300 4.150 4.118 4.174 . 0 0 "[ . 1 . 2]" 1
128 1 20 HIS H 1 20 HIS HB3 2.800 . 3.800 3.542 3.407 3.679 . 0 0 "[ . 1 . 2]" 1
129 1 20 HIS H 1 20 HIS HD2 3.500 . 5.000 4.470 4.110 4.870 . 0 0 "[ . 1 . 2]" 1
130 1 20 HIS H 1 20 HIS HE1 3.600 . 6.000 5.776 5.419 6.051 0.051 12 0 "[ . 1 . 2]" 1
131 1 20 HIS H 1 21 VAL H 3.500 . 5.000 4.357 4.337 4.371 . 0 0 "[ . 1 . 2]" 1
132 1 20 HIS H 1 63 VAL MG1 2.400 . 6.000 3.503 3.190 4.033 . 0 0 "[ . 1 . 2]" 1
133 1 20 HIS HA 1 20 HIS HB2 2.300 . 2.900 2.376 2.323 2.455 . 0 0 "[ . 1 . 2]" 1
134 1 20 HIS HA 1 20 HIS HB3 2.600 . 3.400 2.533 2.454 2.607 . 0 0 "[ . 1 . 2]" 1
135 1 20 HIS HA 1 20 HIS HE1 4.600 . 6.000 6.126 6.094 6.162 0.162 1 0 "[ . 1 . 2]" 1
136 1 20 HIS HA 1 21 VAL H 2.400 . 3.100 2.722 2.592 2.829 . 0 0 "[ . 1 . 2]" 1
137 1 20 HIS HA 1 63 VAL HA 2.900 . 3.900 3.794 3.555 3.945 0.045 6 0 "[ . 1 . 2]" 1
138 1 20 HIS HA 1 63 VAL MG2 4.000 . 5.000 4.223 3.416 4.983 . 0 0 "[ . 1 . 2]" 1
139 1 20 HIS HA 1 64 ALA H 4.000 . 6.000 5.606 5.389 5.859 . 0 0 "[ . 1 . 2]" 1
140 1 20 HIS HB2 1 20 HIS HE1 3.600 . 5.200 4.810 4.750 4.868 . 0 0 "[ . 1 . 2]" 1
141 1 20 HIS HB2 1 21 VAL H 2.700 . 3.600 2.070 1.845 2.377 . 0 0 "[ . 1 . 2]" 1
142 1 20 HIS HB2 1 62 ILE H 3.300 . 4.700 2.213 1.905 2.800 . 0 0 "[ . 1 . 2]" 1
143 1 20 HIS HB3 1 21 VAL H 3.700 . 5.400 3.585 3.435 3.801 . 0 0 "[ . 1 . 2]" 1
144 1 20 HIS HB3 1 61 LYS HA 4.800 . 6.000 3.616 2.994 4.627 . 0 0 "[ . 1 . 2]" 1
145 1 20 HIS HB3 1 61 LYS HB3 2.600 . 6.000 4.302 3.729 5.268 . 0 0 "[ . 1 . 2]" 1
146 1 20 HIS HB3 1 62 ILE H 4.900 . 6.000 3.662 3.091 4.433 . 0 0 "[ . 1 . 2]" 1
147 1 20 HIS HD2 1 63 VAL MG1 3.000 . 6.000 4.475 3.967 4.994 . 0 0 "[ . 1 . 2]" 1
148 1 20 HIS HE1 1 21 VAL H 4.200 . 6.000 4.598 4.466 4.876 . 0 0 "[ . 1 . 2]" 1
149 1 20 HIS HE1 1 22 GLU H 3.400 . 4.800 4.707 4.279 4.819 0.019 1 0 "[ . 1 . 2]" 1
150 1 20 HIS HE1 1 61 LYS H 4.100 . 6.000 5.599 5.287 5.913 . 0 0 "[ . 1 . 2]" 1
151 1 20 HIS HE1 1 61 LYS HA 3.300 . 4.700 4.020 3.858 4.205 . 0 0 "[ . 1 . 2]" 1
152 1 20 HIS HE1 1 61 LYS HB2 4.000 . 6.000 6.013 5.849 6.054 0.054 12 0 "[ . 1 . 2]" 1
153 1 20 HIS HE1 1 61 LYS HB3 4.100 . 6.000 5.840 5.204 6.047 0.047 7 0 "[ . 1 . 2]" 1
154 1 20 HIS HE1 1 62 ILE H 4.900 . 6.000 5.492 5.175 5.794 . 0 0 "[ . 1 . 2]" 1
155 1 21 VAL H 1 21 VAL HA 2.800 . 3.700 2.933 2.918 2.951 . 0 0 "[ . 1 . 2]" 1
156 1 21 VAL H 1 21 VAL HB 3.400 . 4.800 3.858 3.778 3.912 . 0 0 "[ . 1 . 2]" 1
157 1 21 VAL H 1 21 VAL MG1 2.900 . 6.000 3.264 3.098 3.410 . 0 0 "[ . 1 . 2]" 1
158 1 21 VAL H 1 21 VAL MG2 2.400 . 6.000 2.243 1.963 2.429 . 0 0 "[ . 1 . 2]" 1
159 1 21 VAL H 1 22 GLU H 4.000 . 6.000 4.421 4.382 4.441 . 0 0 "[ . 1 . 2]" 1
160 1 21 VAL H 1 62 ILE H 2.900 . 3.900 2.830 2.526 3.102 . 0 0 "[ . 1 . 2]" 1
161 1 21 VAL H 1 62 ILE HB 3.200 . 4.500 4.441 4.247 4.551 0.051 4 0 "[ . 1 . 2]" 1
162 1 21 VAL H 1 62 ILE HG13 4.200 . 6.000 5.481 4.986 6.023 0.023 2 0 "[ . 1 . 2]" 1
163 1 21 VAL H 1 63 VAL HA 3.500 . 5.000 5.065 5.014 5.112 0.112 13 0 "[ . 1 . 2]" 1
164 1 21 VAL H 1 63 VAL MG1 4.000 . 5.000 3.659 3.370 3.806 . 0 0 "[ . 1 . 2]" 1
165 1 21 VAL HA 1 21 VAL HB 2.700 . 3.600 2.520 2.458 2.578 . 0 0 "[ . 1 . 2]" 1
166 1 21 VAL HA 1 21 VAL MG1 3.800 . 5.600 2.260 2.162 2.397 . 0 0 "[ . 1 . 2]" 1
167 1 21 VAL HA 1 21 VAL MG2 3.600 . 5.200 3.182 3.163 3.196 . 0 0 "[ . 1 . 2]" 1
168 1 21 VAL HA 1 25 ASP HB2 4.300 . 6.000 3.727 3.340 4.099 . 0 0 "[ . 1 . 2]" 1
169 1 21 VAL HB 1 22 GLU H 2.400 . 3.100 2.453 2.184 2.879 . 0 0 "[ . 1 . 2]" 1
170 1 21 VAL HB 1 22 GLU HB2 3.500 . 6.000 4.919 4.401 5.948 . 0 0 "[ . 1 . 2]" 1
171 1 21 VAL HB 1 25 ASP H 3.200 . 4.500 4.407 4.148 4.519 0.019 11 0 "[ . 1 . 2]" 1
172 1 21 VAL HB 1 25 ASP HB2 1.800 . 2.200 2.224 2.150 2.271 0.071 11 0 "[ . 1 . 2]" 1
173 1 21 VAL HB 1 25 ASP HB3 4.600 . 6.000 3.135 2.582 3.483 . 0 0 "[ . 1 . 2]" 1
174 1 21 VAL HB 1 60 CYS H 3.200 . 6.000 6.031 5.945 6.089 0.089 5 0 "[ . 1 . 2]" 1
175 1 21 VAL MG1 1 22 GLU H 3.000 . 4.100 3.487 3.300 3.687 . 0 0 "[ . 1 . 2]" 1
176 1 21 VAL MG1 1 25 ASP H 3.500 . 6.000 5.392 5.110 5.608 . 0 0 "[ . 1 . 2]" 1
177 1 21 VAL MG1 1 26 LEU HB2 2.800 . 6.000 4.123 3.647 4.717 . 0 0 "[ . 1 . 2]" 1
178 1 21 VAL MG2 1 22 GLU H 3.400 . 4.900 3.655 3.442 3.876 . 0 0 "[ . 1 . 2]" 1
179 1 21 VAL MG2 1 25 ASP H 3.600 . 6.000 5.187 4.832 5.499 . 0 0 "[ . 1 . 2]" 1
180 1 21 VAL MG2 1 60 CYS H 4.000 . 5.000 5.032 4.950 5.090 0.090 9 0 "[ . 1 . 2]" 1
181 1 22 GLU H 1 22 GLU HA 2.300 . 2.900 2.911 2.876 2.928 0.028 20 0 "[ . 1 . 2]" 1
182 1 22 GLU H 1 22 GLU HB2 3.100 . 4.300 2.636 2.132 3.709 . 0 0 "[ . 1 . 2]" 1
183 1 22 GLU H 1 22 GLU HB3 2.600 . 3.400 3.202 2.391 3.552 0.152 5 0 "[ . 1 . 2]" 1
184 1 22 GLU H 1 22 GLU HG2 3.200 . 4.500 3.768 1.956 4.552 0.052 2 0 "[ . 1 . 2]" 1
185 1 22 GLU H 1 22 GLU HG3 3.600 . 5.200 3.574 2.835 4.692 . 0 0 "[ . 1 . 2]" 1
186 1 22 GLU H 1 23 LEU H 4.300 . 6.000 4.545 4.508 4.589 . 0 0 "[ . 1 . 2]" 1
187 1 22 GLU H 1 24 CYS H 3.900 . 5.800 5.050 4.796 5.466 . 0 0 "[ . 1 . 2]" 1
188 1 22 GLU H 1 25 ASP H 3.700 . 5.400 3.542 3.425 3.723 . 0 0 "[ . 1 . 2]" 1
189 1 22 GLU HA 1 61 LYS HA 3.000 . 6.000 5.359 4.416 6.034 0.034 16 0 "[ . 1 . 2]" 1
190 1 22 GLU HB2 1 23 LEU H 3.800 . 5.600 3.829 2.706 4.388 . 0 0 "[ . 1 . 2]" 1
191 1 22 GLU HB2 1 59 ARG HA 3.600 . 5.200 3.848 2.011 5.192 . 0 0 "[ . 1 . 2]" 1
192 1 22 GLU HB3 1 23 LEU H 3.700 . 5.400 3.371 2.718 4.081 . 0 0 "[ . 1 . 2]" 1
193 1 22 GLU HB3 1 23 LEU HG 4.200 . 6.000 5.016 3.285 6.052 0.052 5 0 "[ . 1 . 2]" 1
194 1 23 LEU H 1 23 LEU HB3 3.100 . 4.300 3.129 2.434 3.608 . 0 0 "[ . 1 . 2]" 1
195 1 23 LEU H 1 23 LEU MD1 3.400 . 4.800 3.161 2.029 3.901 . 0 0 "[ . 1 . 2]" 1
196 1 23 LEU H 1 23 LEU MD2 4.000 . 5.000 3.472 2.285 4.333 . 0 0 "[ . 1 . 2]" 1
197 1 23 LEU H 1 23 LEU HG 4.000 . 5.000 2.470 1.841 3.434 . 0 0 "[ . 1 . 2]" 1
198 1 23 LEU H 1 24 CYS H 3.200 . 4.500 3.015 2.904 3.140 . 0 0 "[ . 1 . 2]" 1
199 1 23 LEU H 1 25 ASP H 3.900 . 5.800 4.313 4.109 4.471 . 0 0 "[ . 1 . 2]" 1
200 1 23 LEU H 1 60 CYS H 3.100 . 4.300 2.400 1.882 2.975 0.018 8 0 "[ . 1 . 2]" 1
201 1 23 LEU HA 1 23 LEU HB2 2.900 . 3.900 2.761 2.419 3.017 . 0 0 "[ . 1 . 2]" 1
202 1 23 LEU HA 1 23 LEU MD1 2.400 . 6.000 3.626 3.085 4.093 . 0 0 "[ . 1 . 2]" 1
203 1 23 LEU HA 1 23 LEU MD2 3.000 . 4.100 3.402 2.049 4.053 . 0 0 "[ . 1 . 2]" 1
204 1 23 LEU HA 1 23 LEU HG 2.900 . 4.000 3.039 2.101 3.667 . 0 0 "[ . 1 . 2]" 1
205 1 23 LEU HA 1 24 CYS H 3.400 . 4.800 3.543 3.496 3.575 . 0 0 "[ . 1 . 2]" 1
206 1 23 LEU HA 1 26 LEU H 3.400 . 4.800 3.873 3.652 4.114 . 0 0 "[ . 1 . 2]" 1
207 1 23 LEU HA 1 26 LEU MD1 4.500 . 6.000 4.990 4.088 5.695 . 0 0 "[ . 1 . 2]" 1
208 1 23 LEU HA 1 26 LEU MD2 3.700 . 5.400 4.087 3.743 4.499 . 0 0 "[ . 1 . 2]" 1
209 1 23 LEU HA 1 27 LEU H 4.100 . 6.000 3.950 3.681 4.266 . 0 0 "[ . 1 . 2]" 1
210 1 23 LEU HA 1 60 CYS H 4.200 . 6.000 4.587 3.709 5.440 . 0 0 "[ . 1 . 2]" 1
211 1 23 LEU HB2 1 23 LEU MD2 3.200 . 4.500 2.823 2.389 3.196 . 0 0 "[ . 1 . 2]" 1
212 1 23 LEU HB3 1 24 CYS H 3.100 . 4.300 3.676 2.802 4.213 . 0 0 "[ . 1 . 2]" 1
213 1 23 LEU HB3 1 60 CYS H 3.800 . 5.600 5.041 3.703 5.610 0.010 18 0 "[ . 1 . 2]" 1
214 1 23 LEU MD1 1 60 CYS H 3.400 . 6.000 4.273 2.375 6.014 0.014 7 0 "[ . 1 . 2]" 1
215 1 23 LEU HG 1 27 LEU MD2 2.900 . 6.000 5.239 3.986 5.990 . 0 0 "[ . 1 . 2]" 1
216 1 23 LEU HG 1 60 CYS HB2 3.100 . 6.000 3.355 1.930 4.753 . 0 0 "[ . 1 . 2]" 1
217 1 24 CYS H 1 24 CYS HA 2.800 . 3.800 2.827 2.785 2.866 . 0 0 "[ . 1 . 2]" 1
218 1 24 CYS H 1 24 CYS HB2 2.900 . 3.900 2.314 2.077 2.635 . 0 0 "[ . 1 . 2]" 1
219 1 24 CYS H 1 24 CYS HB3 3.000 . 4.100 2.808 2.443 3.173 . 0 0 "[ . 1 . 2]" 1
220 1 24 CYS H 1 25 ASP H 3.000 . 4.200 2.612 2.485 2.727 . 0 0 "[ . 1 . 2]" 1
221 1 24 CYS HA 1 24 CYS HB2 2.500 . 3.300 2.611 2.428 2.789 . 0 0 "[ . 1 . 2]" 1
222 1 24 CYS HA 1 24 CYS HB3 2.800 . 3.800 2.986 2.904 3.027 . 0 0 "[ . 1 . 2]" 1
223 1 24 CYS HA 1 25 ASP H 3.300 . 4.700 3.525 3.494 3.545 . 0 0 "[ . 1 . 2]" 1
224 1 24 CYS HA 1 27 LEU H 3.300 . 4.700 3.806 3.592 4.062 . 0 0 "[ . 1 . 2]" 1
225 1 24 CYS HB3 1 25 ASP H 3.000 . 4.200 2.767 2.646 3.013 . 0 0 "[ . 1 . 2]" 1
226 1 24 CYS HB3 1 25 ASP HA 4.000 . 6.000 4.053 3.864 4.330 . 0 0 "[ . 1 . 2]" 1
227 1 25 ASP H 1 25 ASP HA 2.700 . 3.600 2.824 2.805 2.853 . 0 0 "[ . 1 . 2]" 1
228 1 25 ASP H 1 25 ASP HB2 2.400 . 3.100 2.489 2.170 2.651 . 0 0 "[ . 1 . 2]" 1
229 1 25 ASP H 1 25 ASP HB3 3.300 . 4.700 3.584 3.479 3.612 . 0 0 "[ . 1 . 2]" 1
230 1 25 ASP H 1 26 LEU H 2.400 . 3.100 2.805 2.678 2.931 . 0 0 "[ . 1 . 2]" 1
231 1 25 ASP H 1 26 LEU HB2 4.100 . 6.000 4.868 4.667 5.217 . 0 0 "[ . 1 . 2]" 1
232 1 25 ASP H 1 26 LEU HB3 3.700 . 5.500 5.139 4.808 5.404 . 0 0 "[ . 1 . 2]" 1
233 1 25 ASP H 1 27 LEU H 3.600 . 5.200 4.108 3.981 4.229 . 0 0 "[ . 1 . 2]" 1
234 1 25 ASP HA 1 25 ASP HB2 2.900 . 3.900 3.022 2.967 3.034 . 0 0 "[ . 1 . 2]" 1
235 1 25 ASP HA 1 25 ASP HB3 2.800 . 3.800 2.487 2.412 2.697 . 0 0 "[ . 1 . 2]" 1
236 1 25 ASP HA 1 26 LEU H 3.300 . 4.700 3.562 3.550 3.576 . 0 0 "[ . 1 . 2]" 1
237 1 25 ASP HA 1 28 LYS H 3.100 . 4.300 3.999 3.925 4.122 . 0 0 "[ . 1 . 2]" 1
238 1 25 ASP HA 1 28 LYS HB2 3.800 . 5.600 3.940 3.462 4.188 . 0 0 "[ . 1 . 2]" 1
239 1 25 ASP HA 1 28 LYS HB3 2.800 . 3.800 3.306 2.965 3.784 . 0 0 "[ . 1 . 2]" 1
240 1 25 ASP HA 1 29 LEU H 3.700 . 5.400 3.570 3.323 3.832 . 0 0 "[ . 1 . 2]" 1
241 1 25 ASP HB2 1 26 LEU H 2.800 . 3.800 2.245 2.085 2.531 . 0 0 "[ . 1 . 2]" 1
242 1 25 ASP HB2 1 28 LYS H 4.400 . 6.000 5.926 5.750 6.016 0.016 9 0 "[ . 1 . 2]" 1
243 1 25 ASP HB2 1 29 LEU H 4.600 . 6.000 5.698 5.482 6.001 0.001 6 0 "[ . 1 . 2]" 1
244 1 25 ASP HB3 1 26 LEU H 3.600 . 5.200 3.261 2.802 3.489 . 0 0 "[ . 1 . 2]" 1
245 1 25 ASP HB3 1 28 LYS H 4.200 . 6.000 5.970 5.849 6.030 0.030 5 0 "[ . 1 . 2]" 1
246 1 25 ASP HB3 1 29 LEU H 4.400 . 6.000 4.934 4.665 5.111 . 0 0 "[ . 1 . 2]" 1
247 1 26 LEU H 1 26 LEU HA 2.800 . 3.800 2.764 2.729 2.793 . 0 0 "[ . 1 . 2]" 1
248 1 26 LEU H 1 26 LEU HB2 2.600 . 3.500 2.241 2.107 2.528 . 0 0 "[ . 1 . 2]" 1
249 1 26 LEU H 1 26 LEU HB3 2.700 . 3.600 2.816 2.479 3.041 . 0 0 "[ . 1 . 2]" 1
250 1 26 LEU H 1 26 LEU MD1 3.900 . 5.800 3.720 3.322 4.234 . 0 0 "[ . 1 . 2]" 1
251 1 26 LEU H 1 26 LEU MD2 4.000 . 6.000 4.249 4.044 4.372 . 0 0 "[ . 1 . 2]" 1
252 1 26 LEU H 1 26 LEU HG 3.300 . 4.700 4.446 4.321 4.590 . 0 0 "[ . 1 . 2]" 1
253 1 26 LEU H 1 27 LEU H 3.000 . 4.100 2.834 2.741 2.915 . 0 0 "[ . 1 . 2]" 1
254 1 26 LEU H 1 28 LYS H 3.700 . 5.400 4.694 4.559 4.905 . 0 0 "[ . 1 . 2]" 1
255 1 26 LEU HA 1 26 LEU HB2 2.600 . 3.400 2.588 2.423 2.690 . 0 0 "[ . 1 . 2]" 1
256 1 26 LEU HA 1 26 LEU MD1 2.500 . 6.000 2.651 1.692 3.633 . 0 0 "[ . 1 . 2]" 1
257 1 26 LEU HA 1 26 LEU MD2 3.500 . 5.000 3.680 3.309 3.845 . 0 0 "[ . 1 . 2]" 1
258 1 26 LEU HA 1 26 LEU HG 3.300 . 4.700 2.551 2.285 2.987 . 0 0 "[ . 1 . 2]" 1
259 1 26 LEU HA 1 29 LEU H 3.600 . 5.200 4.289 3.941 4.546 . 0 0 "[ . 1 . 2]" 1
260 1 26 LEU HA 1 29 LEU HB2 3.000 . 4.100 3.439 2.862 3.957 . 0 0 "[ . 1 . 2]" 1
261 1 26 LEU HA 1 30 GLU H 4.400 . 6.000 4.034 3.759 4.229 . 0 0 "[ . 1 . 2]" 1
262 1 26 LEU HB2 1 26 LEU MD1 2.700 . 3.600 2.185 1.912 2.502 . 0 0 "[ . 1 . 2]" 1
263 1 26 LEU HB2 1 26 LEU MD2 2.800 . 3.800 2.722 2.261 3.155 . 0 0 "[ . 1 . 2]" 1
264 1 26 LEU HB2 1 26 LEU HG 2.300 . 3.000 2.903 2.613 3.017 0.017 11 0 "[ . 1 . 2]" 1
265 1 26 LEU HB3 1 26 LEU MD1 3.200 . 4.400 3.001 2.531 3.195 . 0 0 "[ . 1 . 2]" 1
266 1 26 LEU HB3 1 26 LEU MD2 2.600 . 6.000 2.128 1.970 2.418 . 0 0 "[ . 1 . 2]" 1
267 1 26 LEU MD1 1 27 LEU H 4.200 . 6.000 4.703 4.544 4.867 . 0 0 "[ . 1 . 2]" 1
268 1 26 LEU MD1 1 30 GLU H 3.600 . 6.000 5.562 4.543 6.062 0.062 1 0 "[ . 1 . 2]" 1
269 1 26 LEU MD1 1 30 GLU HG2 3.100 . 6.000 4.551 3.449 5.316 . 0 0 "[ . 1 . 2]" 1
270 1 26 LEU MD1 1 68 VAL HB 3.600 . 5.300 4.302 2.610 4.960 . 0 0 "[ . 1 . 2]" 1
271 1 26 LEU MD1 1 77 VAL HA 5.000 . 6.000 4.434 3.834 4.767 . 0 0 "[ . 1 . 2]" 1
272 1 26 LEU MD2 1 68 VAL HB 2.700 . 4.100 2.463 1.983 3.107 . 0 0 "[ . 1 . 2]" 1
273 1 26 LEU HG 1 27 LEU H 3.200 . 4.500 4.371 4.144 4.524 0.024 16 0 "[ . 1 . 2]" 1
274 1 27 LEU H 1 27 LEU HA 2.700 . 3.600 2.818 2.797 2.836 . 0 0 "[ . 1 . 2]" 1
275 1 27 LEU H 1 27 LEU HB2 2.400 . 3.100 2.210 2.134 2.472 . 0 0 "[ . 1 . 2]" 1
276 1 27 LEU H 1 27 LEU HB3 3.200 . 4.500 3.494 3.446 3.577 . 0 0 "[ . 1 . 2]" 1
277 1 27 LEU H 1 27 LEU MD1 2.900 . 3.900 2.332 1.875 3.196 0.025 1 0 "[ . 1 . 2]" 1
278 1 27 LEU H 1 27 LEU MD2 4.000 . 5.000 3.758 3.585 4.057 . 0 0 "[ . 1 . 2]" 1
279 1 27 LEU H 1 27 LEU HG 3.200 . 4.400 3.762 2.268 4.158 . 0 0 "[ . 1 . 2]" 1
280 1 27 LEU H 1 28 LYS H 2.700 . 3.600 2.871 2.806 2.941 . 0 0 "[ . 1 . 2]" 1
281 1 27 LEU H 1 29 LEU H 3.700 . 5.400 4.416 4.241 4.639 . 0 0 "[ . 1 . 2]" 1
282 1 27 LEU HA 1 27 LEU HB3 2.600 . 3.400 2.639 2.474 2.710 . 0 0 "[ . 1 . 2]" 1
283 1 27 LEU HA 1 27 LEU MD1 3.500 . 5.000 2.576 1.990 3.898 0.010 15 0 "[ . 1 . 2]" 1
284 1 27 LEU HA 1 27 LEU MD2 3.600 . 5.200 3.556 2.508 3.830 . 0 0 "[ . 1 . 2]" 1
285 1 27 LEU HA 1 27 LEU HG 2.600 . 3.500 2.603 2.462 2.786 . 0 0 "[ . 1 . 2]" 1
286 1 27 LEU HA 1 28 LYS H 3.100 . 4.300 3.569 3.556 3.579 . 0 0 "[ . 1 . 2]" 1
287 1 27 LEU HA 1 30 GLU H 3.400 . 4.800 3.775 3.572 4.025 . 0 0 "[ . 1 . 2]" 1
288 1 27 LEU HA 1 31 GLY H 4.100 . 6.000 4.607 4.377 4.901 . 0 0 "[ . 1 . 2]" 1
289 1 27 LEU HA 1 32 TRP HE1 2.700 . 3.600 3.606 3.543 3.667 0.067 10 0 "[ . 1 . 2]" 1
290 1 27 LEU HA 1 33 SER H 4.300 . 6.000 4.475 4.208 4.903 . 0 0 "[ . 1 . 2]" 1
291 1 27 LEU HB2 1 27 LEU MD1 2.800 . 3.800 2.403 1.959 2.593 . 0 0 "[ . 1 . 2]" 1
292 1 27 LEU HB3 1 27 LEU MD1 3.500 . 5.100 3.085 2.647 3.200 . 0 0 "[ . 1 . 2]" 1
293 1 27 LEU HB3 1 32 TRP HE1 4.400 . 6.000 5.917 5.795 6.026 0.026 16 0 "[ . 1 . 2]" 1
294 1 27 LEU MD1 1 32 TRP QB 4.400 . 6.000 3.690 3.371 3.944 . 0 0 "[ . 1 . 2]" 1
295 1 27 LEU MD1 1 32 TRP HB3 4.600 . 6.000 4.365 3.969 4.706 . 0 0 "[ . 1 . 2]" 1
296 1 27 LEU MD1 1 32 TRP HZ3 3.800 . 5.600 3.957 3.164 5.592 . 0 0 "[ . 1 . 2]" 1
297 1 27 LEU MD1 1 33 SER H 4.000 . 6.000 5.344 4.883 5.745 . 0 0 "[ . 1 . 2]" 1
298 1 27 LEU MD1 1 42 ALA HA 4.000 . 6.000 4.172 1.818 5.257 . 0 0 "[ . 1 . 2]" 1
299 1 27 LEU MD1 1 42 ALA MB 3.200 . 6.000 4.972 2.852 5.883 . 0 0 "[ . 1 . 2]" 1
300 1 27 LEU MD2 1 32 TRP QB 3.600 . 5.300 2.877 1.850 3.424 0.050 8 0 "[ . 1 . 2]" 1
301 1 27 LEU MD2 1 32 TRP HE1 4.000 . 5.000 2.736 2.091 3.872 . 0 0 "[ . 1 . 2]" 1
302 1 27 LEU MD2 1 32 TRP HZ3 3.600 . 5.200 3.830 3.142 5.010 . 0 0 "[ . 1 . 2]" 1
303 1 27 LEU MD2 1 33 SER H 4.200 . 6.000 4.281 3.682 4.600 . 0 0 "[ . 1 . 2]" 1
304 1 27 LEU MD2 1 42 ALA HA 3.700 . 6.000 3.010 2.248 4.424 . 0 0 "[ . 1 . 2]" 1
305 1 27 LEU HG 1 32 TRP QB 2.900 . 4.000 2.734 2.098 4.003 0.003 19 0 "[ . 1 . 2]" 1
306 1 27 LEU HG 1 32 TRP HE1 2.700 . 6.000 5.074 4.649 5.740 . 0 0 "[ . 1 . 2]" 1
307 1 27 LEU HG 1 32 TRP HZ3 4.100 . 6.000 4.257 3.608 5.641 . 0 0 "[ . 1 . 2]" 1
308 1 27 LEU HG 1 70 PHE HB2 2.700 . 6.000 5.148 4.485 6.054 0.054 8 0 "[ . 1 . 2]" 1
309 1 28 LYS H 1 28 LYS HA 2.900 . 3.900 2.751 2.708 2.797 . 0 0 "[ . 1 . 2]" 1
310 1 28 LYS H 1 28 LYS HB2 2.400 . 3.100 2.264 2.089 2.434 . 0 0 "[ . 1 . 2]" 1
311 1 28 LYS H 1 28 LYS HB3 2.600 . 3.400 2.849 2.635 3.166 . 0 0 "[ . 1 . 2]" 1
312 1 28 LYS H 1 28 LYS QD 4.000 . 5.000 4.583 3.931 4.951 . 0 0 "[ . 1 . 2]" 1
313 1 28 LYS H 1 28 LYS HE2 4.500 . 6.000 5.289 4.561 6.008 0.008 5 0 "[ . 1 . 2]" 1
314 1 28 LYS H 1 28 LYS QE 4.000 . 5.000 4.667 3.953 4.957 . 0 0 "[ . 1 . 2]" 1
315 1 28 LYS H 1 28 LYS HG2 3.900 . 5.800 4.380 4.099 4.600 . 0 0 "[ . 1 . 2]" 1
316 1 28 LYS H 1 29 LEU H 2.600 . 3.500 2.998 2.803 3.155 . 0 0 "[ . 1 . 2]" 1
317 1 28 LYS H 1 30 GLU H 3.900 . 5.800 4.289 4.038 4.515 . 0 0 "[ . 1 . 2]" 1
318 1 28 LYS HA 1 28 LYS HB2 2.500 . 3.300 2.587 2.457 2.750 . 0 0 "[ . 1 . 2]" 1
319 1 28 LYS HA 1 28 LYS HB3 3.000 . 4.100 2.993 2.929 3.023 . 0 0 "[ . 1 . 2]" 1
320 1 28 LYS HA 1 28 LYS HD2 4.200 . 6.000 4.453 3.722 4.876 . 0 0 "[ . 1 . 2]" 1
321 1 28 LYS HA 1 28 LYS HG2 3.300 . 4.700 2.511 2.096 3.328 . 0 0 "[ . 1 . 2]" 1
322 1 28 LYS HA 1 29 LEU H 3.500 . 5.000 3.566 3.552 3.576 . 0 0 "[ . 1 . 2]" 1
323 1 28 LYS HA 1 31 GLY H 3.200 . 4.400 3.520 3.287 3.704 . 0 0 "[ . 1 . 2]" 1
324 1 28 LYS HA 1 32 TRP H 3.200 . 4.500 3.433 3.177 3.627 . 0 0 "[ . 1 . 2]" 1
325 1 28 LYS HB2 1 33 SER HB2 2.900 . 6.000 5.573 4.987 6.008 0.008 2 0 "[ . 1 . 2]" 1
326 1 28 LYS HB3 1 28 LYS HG2 2.900 . 4.000 2.695 2.290 2.967 . 0 0 "[ . 1 . 2]" 1
327 1 28 LYS HB3 1 29 LEU H 2.800 . 3.800 2.264 2.038 2.462 . 0 0 "[ . 1 . 2]" 1
328 1 28 LYS HB3 1 30 GLU H 4.400 . 6.000 4.860 4.642 5.086 . 0 0 "[ . 1 . 2]" 1
329 1 28 LYS HB3 1 31 GLY H 4.500 . 6.000 5.163 4.996 5.325 . 0 0 "[ . 1 . 2]" 1
330 1 29 LEU H 1 29 LEU HA 2.800 . 3.800 2.770 2.747 2.790 . 0 0 "[ . 1 . 2]" 1
331 1 29 LEU H 1 29 LEU HB2 2.400 . 3.100 2.154 2.056 2.433 . 0 0 "[ . 1 . 2]" 1
332 1 29 LEU H 1 29 LEU QB 3.200 . 4.000 2.130 2.033 2.395 . 0 0 "[ . 1 . 2]" 1
333 1 29 LEU H 1 29 LEU HB3 2.700 . 3.600 3.375 3.098 3.583 . 0 0 "[ . 1 . 2]" 1
334 1 29 LEU H 1 29 LEU MD1 3.900 . 5.800 3.744 3.164 4.204 . 0 0 "[ . 1 . 2]" 1
335 1 29 LEU H 1 29 LEU MD2 3.600 . 5.200 3.571 1.986 4.413 0.014 10 0 "[ . 1 . 2]" 1
336 1 29 LEU H 1 29 LEU HG 3.900 . 5.800 3.536 2.351 4.442 . 0 0 "[ . 1 . 2]" 1
337 1 29 LEU H 1 30 GLU H 3.300 . 4.600 2.846 2.756 2.947 . 0 0 "[ . 1 . 2]" 1
338 1 29 LEU H 1 31 GLY H 3.300 . 4.700 4.008 3.916 4.090 . 0 0 "[ . 1 . 2]" 1
339 1 29 LEU HA 1 29 LEU HB2 2.600 . 3.400 2.888 2.741 3.008 . 0 0 "[ . 1 . 2]" 1
340 1 29 LEU HA 1 29 LEU MD1 4.000 . 5.000 3.153 1.954 3.840 . 0 0 "[ . 1 . 2]" 1
341 1 29 LEU HA 1 29 LEU MD2 2.300 . 3.000 2.383 1.855 2.898 . 0 0 "[ . 1 . 2]" 1
342 1 29 LEU HA 1 29 LEU HG 3.200 . 4.500 2.871 2.150 3.651 . 0 0 "[ . 1 . 2]" 1
343 1 29 LEU HA 1 32 TRP H 3.700 . 6.000 5.911 5.765 5.986 . 0 0 "[ . 1 . 2]" 1
344 1 29 LEU QB 1 32 TRP H 4.000 . 6.000 5.892 5.763 5.995 . 0 0 "[ . 1 . 2]" 1
345 1 29 LEU HB2 1 29 LEU MD1 2.400 . 6.000 2.532 2.028 3.192 . 0 0 "[ . 1 . 2]" 1
346 1 29 LEU HB2 1 29 LEU HG 2.200 . 2.800 2.542 2.402 2.688 . 0 0 "[ . 1 . 2]" 1
347 1 29 LEU HG 1 30 GLU H 4.100 . 6.000 4.953 4.559 5.193 . 0 0 "[ . 1 . 2]" 1
348 1 30 GLU H 1 30 GLU HA 2.600 . 3.500 2.852 2.806 2.893 . 0 0 "[ . 1 . 2]" 1
349 1 30 GLU H 1 30 GLU HB2 2.700 . 3.600 2.152 2.093 2.235 . 0 0 "[ . 1 . 2]" 1
350 1 30 GLU H 1 30 GLU HB3 3.200 . 4.500 3.429 3.292 3.523 . 0 0 "[ . 1 . 2]" 1
351 1 30 GLU H 1 30 GLU HG2 2.600 . 3.500 3.265 2.899 3.556 0.056 5 0 "[ . 1 . 2]" 1
352 1 30 GLU H 1 30 GLU HG3 3.100 . 4.300 4.027 3.544 4.252 . 0 0 "[ . 1 . 2]" 1
353 1 30 GLU HA 1 30 GLU HB2 2.800 . 3.800 2.934 2.842 2.984 . 0 0 "[ . 1 . 2]" 1
354 1 30 GLU HA 1 30 GLU HG2 2.800 . 3.800 2.476 2.188 2.776 . 0 0 "[ . 1 . 2]" 1
355 1 30 GLU HA 1 30 GLU HG3 4.400 . 6.000 3.586 3.507 3.638 . 0 0 "[ . 1 . 2]" 1
356 1 30 GLU HA 1 31 GLY H 2.900 . 4.000 3.403 3.358 3.423 . 0 0 "[ . 1 . 2]" 1
357 1 30 GLU HA 1 32 TRP H 3.900 . 5.800 4.935 4.801 5.007 . 0 0 "[ . 1 . 2]" 1
358 1 30 GLU HA 1 32 TRP HA 4.800 . 7.000 6.978 6.813 7.040 0.040 5 0 "[ . 1 . 2]" 1
359 1 30 GLU HA 1 32 TRP HE1 4.800 . 6.000 4.464 4.395 4.552 . 0 0 "[ . 1 . 2]" 1
360 1 30 GLU HB2 1 31 GLY H 3.800 . 5.600 3.509 3.374 3.664 . 0 0 "[ . 1 . 2]" 1
361 1 30 GLU HB2 1 32 TRP H 4.500 . 6.000 3.767 3.367 4.106 . 0 0 "[ . 1 . 2]" 1
362 1 30 GLU HB3 1 31 GLY H 3.700 . 5.400 3.756 3.542 3.907 . 0 0 "[ . 1 . 2]" 1
363 1 30 GLU HB3 1 32 TRP H 4.600 . 6.000 3.845 3.605 4.100 . 0 0 "[ . 1 . 2]" 1
364 1 30 GLU HG2 1 31 GLY H 4.000 . 6.000 5.063 4.892 5.198 . 0 0 "[ . 1 . 2]" 1
365 1 31 GLY H 1 31 GLY HA2 2.500 . 3.300 2.355 2.332 2.369 . 0 0 "[ . 1 . 2]" 1
366 1 31 GLY H 1 31 GLY HA3 2.900 . 3.900 2.919 2.900 2.927 . 0 0 "[ . 1 . 2]" 1
367 1 31 GLY H 1 33 SER H 2.700 . 6.000 4.476 4.280 4.792 . 0 0 "[ . 1 . 2]" 1
368 1 31 GLY HA2 1 32 TRP H 2.900 . 4.000 3.047 3.017 3.108 . 0 0 "[ . 1 . 2]" 1
369 1 31 GLY HA2 1 33 SER H 3.500 . 5.000 4.564 4.354 4.765 . 0 0 "[ . 1 . 2]" 1
370 1 31 GLY HA3 1 32 TRP H 3.400 . 4.800 3.481 3.442 3.504 . 0 0 "[ . 1 . 2]" 1
371 1 32 TRP H 1 32 TRP HA 2.700 . 3.600 2.864 2.825 2.882 . 0 0 "[ . 1 . 2]" 1
372 1 32 TRP H 1 32 TRP HB2 2.300 . 2.900 2.480 2.412 2.544 . 0 0 "[ . 1 . 2]" 1
373 1 32 TRP H 1 32 TRP HB3 3.100 . 4.300 3.621 3.592 3.645 . 0 0 "[ . 1 . 2]" 1
374 1 32 TRP H 1 32 TRP HD1 2.600 . 3.400 1.931 1.874 1.999 . 0 0 "[ . 1 . 2]" 1
375 1 32 TRP H 1 32 TRP HE1 5.600 . 6.000 4.483 4.434 4.558 . 0 0 "[ . 1 . 2]" 1
376 1 32 TRP H 1 33 SER H 2.500 . 3.300 2.764 2.667 3.026 . 0 0 "[ . 1 . 2]" 1
377 1 32 TRP HA 1 32 TRP HB2 2.900 . 3.900 3.028 3.022 3.031 . 0 0 "[ . 1 . 2]" 1
378 1 32 TRP HA 1 32 TRP HB3 2.500 . 3.300 2.488 2.464 2.509 . 0 0 "[ . 1 . 2]" 1
379 1 32 TRP HA 1 32 TRP HD1 2.800 . 3.800 3.288 3.107 3.536 . 0 0 "[ . 1 . 2]" 1
380 1 32 TRP QB 1 70 PHE QD 4.000 . 5.000 3.764 3.417 4.272 . 0 0 "[ . 1 . 2]" 1
381 1 32 TRP QB 1 70 PHE QE 4.000 . 5.000 4.762 4.464 5.018 0.018 17 0 "[ . 1 . 2]" 1
382 1 32 TRP HB2 1 32 TRP HD1 3.200 . 4.500 3.106 2.974 3.215 . 0 0 "[ . 1 . 2]" 1
383 1 32 TRP HB2 1 33 SER H 2.600 . 3.500 2.116 1.991 2.227 . 0 0 "[ . 1 . 2]" 1
384 1 32 TRP HB3 1 33 SER H 3.400 . 4.900 3.151 2.893 3.277 . 0 0 "[ . 1 . 2]" 1
385 1 32 TRP HE1 1 70 PHE QB 4.000 . 5.000 2.716 2.433 3.189 . 0 0 "[ . 1 . 2]" 1
386 1 32 TRP HE1 1 73 HIS HB2 3.300 . 6.000 5.924 5.703 6.015 0.015 17 0 "[ . 1 . 2]" 1
387 1 32 TRP HE1 1 73 HIS HB3 3.700 . 5.400 5.093 4.778 5.447 0.047 11 0 "[ . 1 . 2]" 1
388 1 32 TRP HE1 1 75 VAL MG1 4.200 . 6.000 3.264 2.978 3.661 . 0 0 "[ . 1 . 2]" 1
389 1 32 TRP HE3 1 48 VAL MG2 4.000 . 6.000 6.059 6.014 6.109 0.109 3 0 "[ . 1 . 2]" 1
390 1 32 TRP HH2 1 68 VAL HB 3.100 . 4.300 3.974 2.315 4.332 0.032 3 0 "[ . 1 . 2]" 1
391 1 32 TRP HH2 1 68 VAL MG2 4.200 . 6.000 4.496 3.600 4.776 . 0 0 "[ . 1 . 2]" 1
392 1 32 TRP HH2 1 69 SER HA 3.100 . 4.300 2.741 2.444 3.187 . 0 0 "[ . 1 . 2]" 1
393 1 32 TRP HH2 1 74 SER HA 3.100 . 4.300 3.130 2.742 3.753 . 0 0 "[ . 1 . 2]" 1
394 1 32 TRP HH2 1 75 VAL HA 4.100 . 6.000 5.305 5.110 5.662 . 0 0 "[ . 1 . 2]" 1
395 1 32 TRP HH2 1 75 VAL HB 2.800 . 3.700 3.615 3.417 3.712 0.012 14 0 "[ . 1 . 2]" 1
396 1 32 TRP HH2 1 75 VAL MG1 4.000 . 5.000 5.041 4.901 5.102 0.102 14 0 "[ . 1 . 2]" 1
397 1 32 TRP HH2 1 75 VAL MG2 4.000 . 5.000 3.402 3.109 3.924 . 0 0 "[ . 1 . 2]" 1
398 1 32 TRP HZ2 1 73 HIS HA 4.000 . 5.000 4.788 4.595 5.026 0.026 5 0 "[ . 1 . 2]" 1
399 1 32 TRP HZ2 1 69 SER HA 4.700 . 6.000 5.014 4.591 5.457 . 0 0 "[ . 1 . 2]" 1
400 1 32 TRP HZ2 1 74 SER HA 4.400 . 6.000 4.476 4.021 4.783 . 0 0 "[ . 1 . 2]" 1
401 1 32 TRP HZ2 1 75 VAL HA 5.100 . 6.000 4.246 4.033 4.397 . 0 0 "[ . 1 . 2]" 1
402 1 32 TRP HZ2 1 75 VAL HB 2.200 . 2.800 1.620 1.548 1.794 0.052 1 0 "[ . 1 . 2]" 1
403 1 32 TRP HZ2 1 75 VAL MG1 3.400 . 4.800 3.250 3.128 3.319 . 0 0 "[ . 1 . 2]" 1
404 1 32 TRP HZ2 1 75 VAL MG2 3.700 . 5.400 2.142 1.978 2.604 0.022 3 0 "[ . 1 . 2]" 1
405 1 32 TRP HZ3 1 68 VAL HB 4.400 . 6.000 5.636 4.064 6.031 0.031 18 0 "[ . 1 . 2]" 1
406 1 32 TRP HZ3 1 68 VAL MG2 3.500 . 6.000 5.228 5.026 5.733 . 0 0 "[ . 1 . 2]" 1
407 1 32 TRP HZ3 1 69 SER HA 3.600 . 5.200 3.469 3.136 3.929 . 0 0 "[ . 1 . 2]" 1
408 1 32 TRP HZ3 1 70 PHE HB2 2.900 . 4.000 2.810 2.030 3.568 . 0 0 "[ . 1 . 2]" 1
409 1 32 TRP HZ3 1 70 PHE HB3 4.600 . 6.000 1.949 1.903 1.984 0.097 11 0 "[ . 1 . 2]" 1
410 1 32 TRP HZ3 1 74 SER HA 4.300 . 6.000 4.723 4.252 5.458 . 0 0 "[ . 1 . 2]" 1
411 1 32 TRP HZ3 1 75 VAL HB 4.900 . 6.000 5.724 5.588 5.817 . 0 0 "[ . 1 . 2]" 1
412 1 33 SER H 1 33 SER HB2 2.800 . 3.800 2.742 2.504 3.035 . 0 0 "[ . 1 . 2]" 1
413 1 33 SER H 1 33 SER HB3 3.400 . 4.800 2.692 2.464 2.979 . 0 0 "[ . 1 . 2]" 1
414 1 33 SER H 1 36 GLY HA2 2.900 . 6.000 4.434 4.163 4.670 . 0 0 "[ . 1 . 2]" 1
415 1 33 SER H 1 36 GLY HA3 3.500 . 6.000 6.004 5.895 6.054 0.054 12 0 "[ . 1 . 2]" 1
416 1 33 SER HA 1 33 SER HB2 2.800 . 3.800 2.553 2.407 2.705 . 0 0 "[ . 1 . 2]" 1
417 1 33 SER HA 1 33 SER HB3 2.600 . 3.400 3.013 2.963 3.030 . 0 0 "[ . 1 . 2]" 1
418 1 33 SER HA 1 34 GLU H 3.600 . 5.200 2.237 2.175 2.346 . 0 0 "[ . 1 . 2]" 1
419 1 33 SER QB 1 42 ALA HA 3.700 . 5.400 5.240 4.903 5.455 0.055 4 0 "[ . 1 . 2]" 1
420 1 33 SER HB2 1 39 ALA MB 2.700 . 6.000 4.796 4.387 5.181 . 0 0 "[ . 1 . 2]" 1
421 1 33 SER HB2 1 73 HIS HD2 3.800 . 6.000 6.008 5.878 6.052 0.052 13 0 "[ . 1 . 2]" 1
422 1 33 SER HB3 1 38 GLN HB3 3.000 . 6.000 5.746 4.865 6.024 0.024 13 0 "[ . 1 . 2]" 1
423 1 34 GLU H 1 34 GLU HB2 3.200 . 4.500 2.428 2.098 3.604 . 0 0 "[ . 1 . 2]" 1
424 1 34 GLU H 1 34 GLU HB3 4.000 . 6.000 3.136 2.569 3.622 . 0 0 "[ . 1 . 2]" 1
425 1 34 GLU H 1 35 SER H 4.000 . 6.000 2.469 2.302 2.638 . 0 0 "[ . 1 . 2]" 1
426 1 34 GLU HA 1 34 GLU HB2 2.600 . 3.500 2.784 2.482 3.026 . 0 0 "[ . 1 . 2]" 1
427 1 34 GLU HA 1 34 GLU HB3 3.000 . 4.100 2.752 2.353 3.021 . 0 0 "[ . 1 . 2]" 1
428 1 34 GLU HA 1 35 SER H 3.200 . 4.500 3.504 3.493 3.518 . 0 0 "[ . 1 . 2]" 1
429 1 35 SER H 1 35 SER HB2 3.900 . 5.800 3.507 3.237 3.747 . 0 0 "[ . 1 . 2]" 1
430 1 35 SER H 1 35 SER HB3 3.000 . 4.100 3.150 2.565 3.582 . 0 0 "[ . 1 . 2]" 1
431 1 35 SER H 1 36 GLY HA2 4.300 . 6.000 4.319 4.254 4.407 . 0 0 "[ . 1 . 2]" 1
432 1 35 SER H 1 36 GLY HA3 3.700 . 5.400 4.781 4.719 4.886 . 0 0 "[ . 1 . 2]" 1
433 1 35 SER H 1 38 GLN H 3.800 . 5.600 4.046 3.810 4.578 . 0 0 "[ . 1 . 2]" 1
434 1 35 SER H 1 38 GLN HB2 2.800 . 6.000 4.094 3.760 4.954 . 0 0 "[ . 1 . 2]" 1
435 1 35 SER H 1 38 GLN HB3 2.800 . 3.800 3.680 3.469 3.801 0.001 20 0 "[ . 1 . 2]" 1
436 1 35 SER H 1 38 GLN HG2 3.500 . 5.100 5.077 4.888 5.145 0.045 10 0 "[ . 1 . 2]" 1
437 1 35 SER H 1 39 ALA H 3.900 . 5.800 4.937 4.425 5.243 . 0 0 "[ . 1 . 2]" 1
438 1 35 SER H 1 39 ALA MB 4.000 . 6.000 5.553 4.533 6.049 0.049 18 0 "[ . 1 . 2]" 1
439 1 35 SER HA 1 35 SER HB2 2.800 . 3.800 2.607 2.277 2.866 . 0 0 "[ . 1 . 2]" 1
440 1 35 SER HA 1 35 SER HB3 2.300 . 3.000 2.401 2.235 2.699 . 0 0 "[ . 1 . 2]" 1
441 1 37 ALA HA 1 37 ALA MB 2.200 . 2.800 2.113 2.080 2.129 . 0 0 "[ . 1 . 2]" 1
442 1 37 ALA HA 1 38 GLN H 3.000 . 4.100 3.267 3.168 3.413 . 0 0 "[ . 1 . 2]" 1
443 1 37 ALA MB 1 38 GLN H 2.800 . 6.000 3.329 3.103 3.464 . 0 0 "[ . 1 . 2]" 1
444 1 38 GLN H 1 38 GLN HA 2.800 . 3.800 2.780 2.759 2.817 . 0 0 "[ . 1 . 2]" 1
445 1 38 GLN H 1 38 GLN HB2 2.700 . 3.600 2.548 2.432 2.643 . 0 0 "[ . 1 . 2]" 1
446 1 38 GLN H 1 38 GLN HB3 2.900 . 3.900 2.491 2.408 2.648 . 0 0 "[ . 1 . 2]" 1
447 1 38 GLN H 1 38 GLN HG2 3.700 . 5.400 4.581 4.533 4.624 . 0 0 "[ . 1 . 2]" 1
448 1 38 GLN H 1 38 GLN HG3 3.400 . 4.800 4.420 4.385 4.480 . 0 0 "[ . 1 . 2]" 1
449 1 38 GLN H 1 39 ALA H 2.900 . 3.900 3.144 2.961 3.240 . 0 0 "[ . 1 . 2]" 1
450 1 38 GLN H 1 40 LYS H 3.700 . 5.400 3.793 3.575 4.001 . 0 0 "[ . 1 . 2]" 1
451 1 38 GLN HA 1 38 GLN HB3 2.700 . 3.600 3.021 3.015 3.025 . 0 0 "[ . 1 . 2]" 1
452 1 38 GLN HA 1 38 GLN HG2 3.600 . 5.200 3.819 3.740 3.884 . 0 0 "[ . 1 . 2]" 1
453 1 38 GLN HB2 1 39 ALA H 4.100 . 6.000 3.544 3.489 3.678 . 0 0 "[ . 1 . 2]" 1
454 1 38 GLN HB3 1 39 ALA H 3.100 . 4.300 2.010 1.942 2.184 . 0 0 "[ . 1 . 2]" 1
455 1 38 GLN HG2 1 39 ALA H 4.600 . 6.000 3.543 3.215 3.959 . 0 0 "[ . 1 . 2]" 1
456 1 39 ALA H 1 39 ALA HA 2.900 . 4.000 2.863 2.845 2.882 . 0 0 "[ . 1 . 2]" 1
457 1 39 ALA H 1 39 ALA MB 2.800 . 3.800 2.205 2.057 2.257 . 0 0 "[ . 1 . 2]" 1
458 1 39 ALA H 1 40 LYS H 3.200 . 4.500 2.852 2.763 2.930 . 0 0 "[ . 1 . 2]" 1
459 1 39 ALA HA 1 39 ALA MB 2.200 . 2.800 2.116 2.087 2.128 . 0 0 "[ . 1 . 2]" 1
460 1 39 ALA HA 1 40 LYS H 3.300 . 4.600 3.136 3.128 3.177 . 0 0 "[ . 1 . 2]" 1
461 1 39 ALA MB 1 40 LYS H 3.000 . 6.000 3.502 3.453 3.527 . 0 0 "[ . 1 . 2]" 1
462 1 39 ALA MB 1 41 ILE H 3.400 . 4.900 3.104 3.009 3.205 . 0 0 "[ . 1 . 2]" 1
463 1 39 ALA MB 1 42 ALA H 3.700 . 5.400 5.404 5.324 5.482 0.082 6 0 "[ . 1 . 2]" 1
464 1 40 LYS H 1 40 LYS HA 3.000 . 4.100 2.268 2.261 2.273 . 0 0 "[ . 1 . 2]" 1
465 1 40 LYS H 1 40 LYS HB2 2.900 . 4.000 3.587 3.246 3.746 . 0 0 "[ . 1 . 2]" 1
466 1 40 LYS H 1 40 LYS HB3 3.100 . 4.300 4.059 4.000 4.114 . 0 0 "[ . 1 . 2]" 1
467 1 40 LYS H 1 40 LYS HE2 2.700 . 6.000 5.147 3.102 6.005 0.005 5 0 "[ . 1 . 2]" 1
468 1 40 LYS H 1 40 LYS HG2 3.100 . 4.300 3.499 2.659 4.308 0.008 16 0 "[ . 1 . 2]" 1
469 1 40 LYS H 1 41 ILE H 3.000 . 4.100 2.562 2.468 2.636 . 0 0 "[ . 1 . 2]" 1
470 1 40 LYS H 1 42 ALA H 3.900 . 5.800 4.208 3.892 4.394 . 0 0 "[ . 1 . 2]" 1
471 1 40 LYS HA 1 40 LYS HB3 2.400 . 3.100 2.472 2.376 2.732 . 0 0 "[ . 1 . 2]" 1
472 1 40 LYS HA 1 40 LYS HG2 2.500 . 3.300 2.796 2.154 3.317 0.017 15 0 "[ . 1 . 2]" 1
473 1 41 ILE H 1 41 ILE HA 2.600 . 3.500 2.791 2.755 2.826 . 0 0 "[ . 1 . 2]" 1
474 1 41 ILE H 1 41 ILE HB 2.500 . 3.300 2.570 2.461 2.736 . 0 0 "[ . 1 . 2]" 1
475 1 41 ILE H 1 41 ILE MD 3.900 . 5.800 3.228 2.040 3.884 . 0 0 "[ . 1 . 2]" 1
476 1 41 ILE H 1 41 ILE HG12 3.100 . 4.300 2.996 1.886 3.901 0.014 15 0 "[ . 1 . 2]" 1
477 1 41 ILE H 1 41 ILE MG 3.500 . 5.000 3.759 3.750 3.769 . 0 0 "[ . 1 . 2]" 1
478 1 41 ILE H 1 43 ILE H 2.900 . 6.000 5.289 5.201 5.419 . 0 0 "[ . 1 . 2]" 1
479 1 41 ILE HA 1 41 ILE MD 4.800 . 6.000 3.401 2.047 3.841 . 0 0 "[ . 1 . 2]" 1
480 1 41 ILE HA 1 41 ILE HG12 3.300 . 4.600 2.764 2.316 3.404 . 0 0 "[ . 1 . 2]" 1
481 1 41 ILE HA 1 41 ILE MG 2.400 . 3.100 2.392 2.326 2.488 . 0 0 "[ . 1 . 2]" 1
482 1 41 ILE HB 1 41 ILE MG 2.300 . 3.000 2.093 2.081 2.127 . 0 0 "[ . 1 . 2]" 1
483 1 41 ILE HB 1 42 ALA H 2.700 . 3.600 3.073 2.878 3.262 . 0 0 "[ . 1 . 2]" 1
484 1 41 ILE HG12 1 42 ALA H 3.900 . 5.800 4.915 4.079 5.523 . 0 0 "[ . 1 . 2]" 1
485 1 42 ALA H 1 42 ALA HA 2.500 . 3.300 2.849 2.826 2.867 . 0 0 "[ . 1 . 2]" 1
486 1 42 ALA H 1 42 ALA MB 2.400 . 6.000 2.154 2.038 2.261 . 0 0 "[ . 1 . 2]" 1
487 1 42 ALA H 1 43 ILE H 2.900 . 4.000 3.058 2.974 3.132 . 0 0 "[ . 1 . 2]" 1
488 1 42 ALA H 1 44 ALA H 4.000 . 6.000 3.751 3.596 3.916 . 0 0 "[ . 1 . 2]" 1
489 1 42 ALA HA 1 42 ALA MB 2.100 . 2.600 2.107 2.083 2.129 . 0 0 "[ . 1 . 2]" 1
490 1 42 ALA HA 1 43 ILE H 3.200 . 4.500 3.552 3.537 3.563 . 0 0 "[ . 1 . 2]" 1
491 1 42 ALA HA 1 45 GLU H 3.000 . 6.000 4.137 3.735 4.323 . 0 0 "[ . 1 . 2]" 1
492 1 42 ALA HA 1 70 PHE QD 4.000 . 6.000 5.904 5.416 6.024 0.024 2 0 "[ . 1 . 2]" 1
493 1 42 ALA HA 1 70 PHE QE 3.700 . 6.000 5.907 4.970 6.060 0.060 1 0 "[ . 1 . 2]" 1
494 1 43 ILE H 1 43 ILE HA 3.000 . 4.100 2.751 2.731 2.770 . 0 0 "[ . 1 . 2]" 1
495 1 43 ILE H 1 43 ILE HB 3.000 . 4.100 2.724 2.630 2.815 . 0 0 "[ . 1 . 2]" 1
496 1 43 ILE H 1 43 ILE MD 3.500 . 5.100 2.776 2.206 3.086 . 0 0 "[ . 1 . 2]" 1
497 1 43 ILE H 1 43 ILE MG 3.600 . 5.200 3.761 3.743 3.773 . 0 0 "[ . 1 . 2]" 1
498 1 43 ILE H 1 44 ALA H 2.800 . 3.800 2.825 2.733 2.924 . 0 0 "[ . 1 . 2]" 1
499 1 43 ILE H 1 45 GLU H 3.600 . 5.300 4.943 4.686 5.096 . 0 0 "[ . 1 . 2]" 1
500 1 43 ILE HA 1 43 ILE HB 2.500 . 3.300 3.020 3.012 3.024 . 0 0 "[ . 1 . 2]" 1
501 1 43 ILE HA 1 43 ILE MD 3.500 . 6.000 2.026 1.913 2.274 . 0 0 "[ . 1 . 2]" 1
502 1 43 ILE HA 1 43 ILE MG 2.900 . 3.900 2.284 2.181 2.392 . 0 0 "[ . 1 . 2]" 1
503 1 43 ILE HA 1 46 GLY H 3.800 . 5.600 3.819 3.740 3.925 . 0 0 "[ . 1 . 2]" 1
504 1 43 ILE MD 1 57 ARG H 4.000 . 6.000 5.861 5.480 6.020 0.020 15 0 "[ . 1 . 2]" 1
505 1 43 ILE MG 1 57 ARG H 3.600 . 6.000 5.607 4.998 5.991 . 0 0 "[ . 1 . 2]" 1
506 1 44 ALA H 1 44 ALA HA 2.700 . 3.600 2.799 2.773 2.821 . 0 0 "[ . 1 . 2]" 1
507 1 44 ALA H 1 44 ALA MB 2.300 . 6.000 2.188 2.053 2.241 . 0 0 "[ . 1 . 2]" 1
508 1 44 ALA HA 1 44 ALA MB 2.400 . 3.100 2.117 2.084 2.130 . 0 0 "[ . 1 . 2]" 1
509 1 44 ALA HA 1 47 GLN H 3.700 . 5.400 3.823 3.682 3.962 . 0 0 "[ . 1 . 2]" 1
510 1 45 GLU H 1 45 GLU HA 2.500 . 3.300 2.657 2.632 2.674 . 0 0 "[ . 1 . 2]" 1
511 1 45 GLU H 1 45 GLU HB2 2.400 . 3.100 2.489 2.354 2.725 . 0 0 "[ . 1 . 2]" 1
512 1 45 GLU H 1 45 GLU HB3 2.200 . 2.800 2.688 2.413 2.870 0.070 8 0 "[ . 1 . 2]" 1
513 1 45 GLU H 1 45 GLU HG2 3.500 . 5.000 4.484 4.291 4.685 . 0 0 "[ . 1 . 2]" 1
514 1 45 GLU H 1 45 GLU HG3 3.400 . 4.800 4.526 4.393 4.597 . 0 0 "[ . 1 . 2]" 1
515 1 45 GLU H 1 46 GLY H 2.700 . 3.600 3.047 3.005 3.129 . 0 0 "[ . 1 . 2]" 1
516 1 45 GLU H 1 47 GLN H 3.800 . 5.600 5.199 5.136 5.265 . 0 0 "[ . 1 . 2]" 1
517 1 45 GLU HA 1 45 GLU HB2 2.800 . 3.800 2.431 2.316 2.509 . 0 0 "[ . 1 . 2]" 1
518 1 45 GLU HA 1 45 GLU HB3 2.500 . 3.300 3.017 2.993 3.025 . 0 0 "[ . 1 . 2]" 1
519 1 45 GLU HA 1 45 GLU HG2 3.500 . 5.000 2.964 2.292 3.868 . 0 0 "[ . 1 . 2]" 1
520 1 45 GLU HA 1 45 GLU HG3 3.600 . 5.200 3.391 3.010 3.570 . 0 0 "[ . 1 . 2]" 1
521 1 45 GLU HA 1 46 GLY H 3.000 . 4.200 3.538 3.527 3.554 . 0 0 "[ . 1 . 2]" 1
522 1 45 GLU HB2 1 46 GLY H 4.100 . 6.000 3.897 3.813 4.076 . 0 0 "[ . 1 . 2]" 1
523 1 45 GLU HB2 1 70 PHE QE 4.300 . 6.000 4.161 3.195 4.752 . 0 0 "[ . 1 . 2]" 1
524 1 45 GLU HB3 1 45 GLU HG2 2.400 . 3.100 2.735 2.320 2.976 . 0 0 "[ . 1 . 2]" 1
525 1 45 GLU HB3 1 46 GLY H 3.100 . 4.300 2.610 2.500 2.817 . 0 0 "[ . 1 . 2]" 1
526 1 45 GLU HG2 1 46 GLY H 4.500 . 6.000 4.456 4.243 4.698 . 0 0 "[ . 1 . 2]" 1
527 1 46 GLY H 1 46 GLY HA2 2.700 . 3.600 2.821 2.791 2.863 . 0 0 "[ . 1 . 2]" 1
528 1 46 GLY H 1 46 GLY HA3 2.500 . 3.300 2.309 2.302 2.316 . 0 0 "[ . 1 . 2]" 1
529 1 46 GLY H 1 47 GLN H 2.900 . 3.900 3.085 2.956 3.176 . 0 0 "[ . 1 . 2]" 1
530 1 46 GLY H 1 48 VAL H 4.100 . 6.000 3.824 3.776 3.918 . 0 0 "[ . 1 . 2]" 1
531 1 46 GLY HA2 1 47 GLN H 3.300 . 4.700 3.534 3.520 3.548 . 0 0 "[ . 1 . 2]" 1
532 1 46 GLY HA2 1 56 THR HB 4.200 . 6.000 5.658 4.600 6.059 0.059 14 0 "[ . 1 . 2]" 1
533 1 46 GLY HA3 1 47 GLN H 2.800 . 3.800 2.383 2.359 2.426 . 0 0 "[ . 1 . 2]" 1
534 1 46 GLY HA3 1 47 GLN HA 3.400 . 4.900 4.282 4.265 4.292 . 0 0 "[ . 1 . 2]" 1
535 1 46 GLY HA3 1 56 THR HB 3.700 . 6.000 4.592 3.454 5.124 . 0 0 "[ . 1 . 2]" 1
536 1 47 GLN H 1 47 GLN HA 2.700 . 3.600 2.722 2.681 2.744 . 0 0 "[ . 1 . 2]" 1
537 1 47 GLN H 1 47 GLN HB2 3.600 . 5.200 3.376 2.050 3.634 . 0 0 "[ . 1 . 2]" 1
538 1 47 GLN H 1 47 GLN HB3 2.600 . 3.500 2.700 2.343 3.496 . 0 0 "[ . 1 . 2]" 1
539 1 47 GLN H 1 47 GLN HE21 3.900 . 5.800 4.701 3.057 5.230 . 0 0 "[ . 1 . 2]" 1
540 1 47 GLN H 1 47 GLN HG2 2.700 . 3.600 2.562 1.980 3.626 0.026 4 0 "[ . 1 . 2]" 1
541 1 47 GLN H 1 47 GLN HG3 3.900 . 5.800 3.081 1.991 4.307 0.009 20 0 "[ . 1 . 2]" 1
542 1 47 GLN H 1 48 VAL H 3.000 . 4.100 2.963 2.930 3.047 . 0 0 "[ . 1 . 2]" 1
543 1 47 GLN HA 1 47 GLN HB2 2.700 . 3.600 2.555 2.388 2.935 . 0 0 "[ . 1 . 2]" 1
544 1 47 GLN HA 1 47 GLN HB3 2.800 . 3.800 2.451 2.328 2.904 . 0 0 "[ . 1 . 2]" 1
545 1 47 GLN HA 1 47 GLN HG2 3.100 . 4.300 3.586 2.057 4.149 . 0 0 "[ . 1 . 2]" 1
546 1 47 GLN HA 1 47 GLN HG3 3.300 . 4.700 3.664 3.225 3.882 . 0 0 "[ . 1 . 2]" 1
547 1 47 GLN HA 1 48 VAL H 3.400 . 4.800 3.404 3.353 3.444 . 0 0 "[ . 1 . 2]" 1
548 1 47 GLN HA 1 55 GLU HB2 3.600 . 6.000 5.870 5.534 6.076 0.076 13 0 "[ . 1 . 2]" 1
549 1 47 GLN HB2 1 48 VAL H 4.100 . 6.000 4.045 3.533 4.295 . 0 0 "[ . 1 . 2]" 1
550 1 47 GLN HB3 1 48 VAL H 4.600 . 6.000 4.254 3.507 4.450 . 0 0 "[ . 1 . 2]" 1
551 1 47 GLN HB3 1 56 THR HA 4.300 . 6.000 3.683 2.998 5.309 . 0 0 "[ . 1 . 2]" 1
552 1 47 GLN HE21 1 48 VAL H 4.700 . 6.000 5.274 3.566 5.937 . 0 0 "[ . 1 . 2]" 1
553 1 47 GLN HG2 1 48 VAL H 3.800 . 5.600 3.936 3.007 5.310 . 0 0 "[ . 1 . 2]" 1
554 1 48 VAL H 1 48 VAL HB 2.700 . 3.600 2.611 2.491 3.300 . 0 0 "[ . 1 . 2]" 1
555 1 48 VAL H 1 48 VAL MG1 3.700 . 5.400 3.783 3.567 3.809 . 0 0 "[ . 1 . 2]" 1
556 1 48 VAL H 1 48 VAL MG2 2.900 . 4.000 2.237 1.747 2.403 0.053 17 0 "[ . 1 . 2]" 1
557 1 48 VAL H 1 49 LYS H 4.300 . 6.000 3.368 3.190 3.556 . 0 0 "[ . 1 . 2]" 1
558 1 48 VAL HA 1 48 VAL HB 2.700 . 3.600 3.014 2.874 3.026 . 0 0 "[ . 1 . 2]" 1
559 1 48 VAL HA 1 48 VAL MG1 2.500 . 6.000 2.314 1.930 2.394 . 0 0 "[ . 1 . 2]" 1
560 1 48 VAL HA 1 48 VAL MG2 2.400 . 3.100 2.431 2.327 2.923 . 0 0 "[ . 1 . 2]" 1
561 1 48 VAL HA 1 49 LYS H 2.600 . 6.000 3.554 3.510 3.584 . 0 0 "[ . 1 . 2]" 1
562 1 48 VAL HA 1 70 PHE QD 4.900 . 6.000 4.849 4.767 4.974 . 0 0 "[ . 1 . 2]" 1
563 1 48 VAL HA 1 70 PHE QE 5.200 . 6.000 6.014 5.951 6.067 0.067 6 0 "[ . 1 . 2]" 1
564 1 48 VAL HB 1 48 VAL MG1 2.200 . 2.800 2.094 2.082 2.119 . 0 0 "[ . 1 . 2]" 1
565 1 48 VAL HB 1 48 VAL MG2 2.100 . 2.700 2.090 2.082 2.126 . 0 0 "[ . 1 . 2]" 1
566 1 48 VAL HB 1 49 LYS H 3.100 . 4.300 1.861 1.816 1.896 0.084 20 0 "[ . 1 . 2]" 1
567 1 48 VAL MG1 1 48 VAL MG2 2.200 . 6.000 1.923 1.873 2.050 . 0 0 "[ . 1 . 2]" 1
568 1 48 VAL MG1 1 49 LYS H 3.200 . 4.500 2.468 1.921 3.555 . 0 0 "[ . 1 . 2]" 1
569 1 48 VAL MG1 1 69 SER HB3 2.600 . 6.000 3.800 2.988 4.827 . 0 0 "[ . 1 . 2]" 1
570 1 48 VAL MG1 1 70 PHE HA 3.000 . 6.100 1.946 1.854 2.240 0.046 3 0 "[ . 1 . 2]" 1
571 1 48 VAL MG1 1 70 PHE HB2 4.300 . 6.000 3.774 2.763 4.177 . 0 0 "[ . 1 . 2]" 1
572 1 48 VAL MG1 1 70 PHE QD 3.300 . 6.000 2.713 2.162 3.048 . 0 0 "[ . 1 . 2]" 1
573 1 48 VAL MG1 1 70 PHE QE 4.500 . 6.000 4.410 3.503 4.720 . 0 0 "[ . 1 . 2]" 1
574 1 48 VAL MG2 1 70 PHE HB3 3.700 . 6.000 4.006 3.413 4.453 . 0 0 "[ . 1 . 2]" 1
575 1 49 LYS H 1 49 LYS HB2 2.800 . 3.800 2.951 2.868 3.061 . 0 0 "[ . 1 . 2]" 1
576 1 49 LYS H 1 49 LYS HB3 3.600 . 5.200 3.736 3.604 3.809 . 0 0 "[ . 1 . 2]" 1
577 1 49 LYS H 1 49 LYS HD2 3.700 . 5.400 5.173 4.866 5.440 0.040 12 0 "[ . 1 . 2]" 1
578 1 49 LYS H 1 49 LYS HG2 3.000 . 4.200 4.168 4.042 4.251 0.051 9 0 "[ . 1 . 2]" 1
579 1 49 LYS H 1 50 VAL H 4.400 . 6.000 4.074 3.966 4.280 . 0 0 "[ . 1 . 2]" 1
580 1 49 LYS H 1 69 SER H 3.200 . 4.500 3.802 3.708 3.934 . 0 0 "[ . 1 . 2]" 1
581 1 49 LYS HA 1 49 LYS HB2 3.000 . 4.100 2.921 2.879 2.958 . 0 0 "[ . 1 . 2]" 1
582 1 49 LYS HA 1 49 LYS HB3 2.700 . 3.600 2.766 2.713 2.818 . 0 0 "[ . 1 . 2]" 1
583 1 49 LYS HA 1 49 LYS HD2 2.500 . 3.300 2.795 2.192 3.316 0.016 13 0 "[ . 1 . 2]" 1
584 1 49 LYS HA 1 49 LYS HG2 2.600 . 3.500 2.374 2.127 2.740 . 0 0 "[ . 1 . 2]" 1
585 1 49 LYS HA 1 50 VAL H 2.500 . 3.300 2.172 2.147 2.250 . 0 0 "[ . 1 . 2]" 1
586 1 49 LYS HA 1 54 VAL HA 2.200 . 2.800 2.559 2.298 2.870 0.070 20 0 "[ . 1 . 2]" 1
587 1 49 LYS HA 1 54 VAL HB 3.600 . 5.200 3.532 2.345 4.478 . 0 0 "[ . 1 . 2]" 1
588 1 49 LYS HA 1 54 VAL MG2 3.600 . 5.200 2.773 2.293 3.457 . 0 0 "[ . 1 . 2]" 1
589 1 49 LYS HB2 1 49 LYS HG2 2.400 . 3.100 2.580 2.427 2.735 . 0 0 "[ . 1 . 2]" 1
590 1 49 LYS HB2 1 69 SER H 3.600 . 5.200 4.971 4.508 5.141 . 0 0 "[ . 1 . 2]" 1
591 1 49 LYS HB3 1 69 SER H 3.500 . 5.000 4.642 4.126 4.873 . 0 0 "[ . 1 . 2]" 1
592 1 49 LYS HD2 1 49 LYS HG2 2.700 . 3.600 2.761 2.445 3.006 . 0 0 "[ . 1 . 2]" 1
593 1 49 LYS HD2 1 50 VAL HB 2.800 . 6.000 5.636 5.011 6.034 0.034 19 0 "[ . 1 . 2]" 1
594 1 49 LYS HE2 1 50 VAL H 4.800 . 6.000 5.319 3.766 6.025 0.025 5 0 "[ . 1 . 2]" 1
595 1 50 VAL H 1 50 VAL HA 2.900 . 4.000 2.949 2.937 2.956 . 0 0 "[ . 1 . 2]" 1
596 1 50 VAL H 1 50 VAL HB 2.800 . 3.800 2.754 2.687 2.917 . 0 0 "[ . 1 . 2]" 1
597 1 50 VAL H 1 50 VAL MG1 3.200 . 6.000 3.900 3.874 3.960 . 0 0 "[ . 1 . 2]" 1
598 1 50 VAL H 1 50 VAL MG2 2.800 . 6.000 2.696 2.545 2.964 . 0 0 "[ . 1 . 2]" 1
599 1 50 VAL H 1 51 ASP H 4.300 . 6.000 4.453 4.366 4.497 . 0 0 "[ . 1 . 2]" 1
600 1 50 VAL H 1 53 ALA H 2.600 . 3.400 3.441 3.375 3.560 0.160 15 0 "[ . 1 . 2]" 1
601 1 50 VAL H 1 55 GLU H 3.600 . 5.200 4.208 3.723 5.009 . 0 0 "[ . 1 . 2]" 1
602 1 50 VAL HA 1 50 VAL MG1 2.100 . 6.000 2.273 2.171 2.413 . 0 0 "[ . 1 . 2]" 1
603 1 50 VAL HA 1 50 VAL MG2 2.300 . 6.000 2.447 2.313 2.563 . 0 0 "[ . 1 . 2]" 1
604 1 50 VAL HA 1 51 ASP H 2.200 . 2.800 2.294 2.243 2.368 . 0 0 "[ . 1 . 2]" 1
605 1 50 VAL HA 1 51 ASP HA 4.800 . 6.000 4.308 4.282 4.337 . 0 0 "[ . 1 . 2]" 1
606 1 50 VAL HA 1 68 VAL HA 2.200 . 2.800 2.330 2.074 2.680 . 0 0 "[ . 1 . 2]" 1
607 1 50 VAL HA 1 69 SER H 3.200 . 4.500 2.786 2.556 3.023 . 0 0 "[ . 1 . 2]" 1
608 1 50 VAL HB 1 50 VAL MG1 2.300 . 3.000 2.101 2.080 2.124 . 0 0 "[ . 1 . 2]" 1
609 1 50 VAL HB 1 50 VAL MG2 2.400 . 3.100 2.103 2.084 2.129 . 0 0 "[ . 1 . 2]" 1
610 1 50 VAL HB 1 51 ASP H 3.900 . 5.800 3.760 3.534 3.910 . 0 0 "[ . 1 . 2]" 1
611 1 50 VAL MG1 1 51 ASP HB2 3.200 . 6.000 3.570 3.191 4.441 . 0 0 "[ . 1 . 2]" 1
612 1 51 ASP H 1 51 ASP HA 2.300 . 2.900 2.733 2.694 2.828 . 0 0 "[ . 1 . 2]" 1
613 1 51 ASP H 1 51 ASP HB2 3.400 . 4.800 2.329 2.079 3.605 . 0 0 "[ . 1 . 2]" 1
614 1 51 ASP H 1 51 ASP HB3 3.200 . 4.500 2.969 2.562 3.441 . 0 0 "[ . 1 . 2]" 1
615 1 51 ASP H 1 52 GLY H 3.100 . 5.300 4.190 3.829 4.308 . 0 0 "[ . 1 . 2]" 1
616 1 51 ASP H 1 53 ALA H 3.800 . 5.600 4.199 4.069 4.391 . 0 0 "[ . 1 . 2]" 1
617 1 51 ASP H 1 67 THR H 3.500 . 5.000 3.571 3.215 3.976 . 0 0 "[ . 1 . 2]" 1
618 1 51 ASP H 1 68 VAL HA 2.900 . 4.000 2.973 2.646 3.396 . 0 0 "[ . 1 . 2]" 1
619 1 51 ASP H 1 69 SER H 5.200 . 6.000 4.528 4.222 4.786 . 0 0 "[ . 1 . 2]" 1
620 1 51 ASP HA 1 51 ASP HB2 2.700 . 3.600 2.643 2.502 2.935 . 0 0 "[ . 1 . 2]" 1
621 1 51 ASP HA 1 51 ASP HB3 2.900 . 4.000 2.904 2.379 3.018 . 0 0 "[ . 1 . 2]" 1
622 1 51 ASP HA 1 52 GLY H 2.800 . 3.800 2.231 2.171 2.425 . 0 0 "[ . 1 . 2]" 1
623 1 51 ASP HA 1 67 THR HB 3.200 . 4.500 3.872 3.371 4.518 0.018 17 0 "[ . 1 . 2]" 1
624 1 51 ASP HA 1 67 THR MG 4.300 . 6.000 4.932 4.428 5.736 . 0 0 "[ . 1 . 2]" 1
625 1 51 ASP QB 1 52 GLY H 3.800 . 5.600 3.908 3.601 4.029 . 0 0 "[ . 1 . 2]" 1
626 1 52 GLY H 1 52 GLY HA2 2.700 . 3.600 2.350 2.292 2.566 . 0 0 "[ . 1 . 2]" 1
627 1 52 GLY H 1 52 GLY HA3 2.800 . 3.800 2.869 2.788 2.954 . 0 0 "[ . 1 . 2]" 1
628 1 52 GLY H 1 53 ALA H 2.600 . 3.500 2.564 2.137 2.864 . 0 0 "[ . 1 . 2]" 1
629 1 52 GLY HA2 1 53 ALA H 2.900 . 3.900 3.210 3.006 3.553 . 0 0 "[ . 1 . 2]" 1
630 1 52 GLY HA3 1 53 ALA H 3.300 . 4.600 3.339 2.989 3.465 . 0 0 "[ . 1 . 2]" 1
631 1 53 ALA H 1 53 ALA HA 2.400 . 3.100 2.920 2.909 2.942 . 0 0 "[ . 1 . 2]" 1
632 1 53 ALA H 1 53 ALA MB 2.100 . 6.000 2.621 2.434 2.692 . 0 0 "[ . 1 . 2]" 1
633 1 53 ALA H 1 54 VAL H 3.500 . 5.000 3.712 3.237 4.352 . 0 0 "[ . 1 . 2]" 1
634 1 53 ALA HA 1 53 ALA MB 2.200 . 2.800 2.104 2.082 2.124 . 0 0 "[ . 1 . 2]" 1
635 1 53 ALA HA 1 54 VAL H 2.100 . 2.700 2.306 2.148 2.417 . 0 0 "[ . 1 . 2]" 1
636 1 53 ALA HA 1 54 VAL HA 4.200 . 6.000 4.463 4.379 4.525 . 0 0 "[ . 1 . 2]" 1
637 1 53 ALA MB 1 54 VAL H 2.500 . 6.000 3.428 2.854 3.699 . 0 0 "[ . 1 . 2]" 1
638 1 54 VAL H 1 54 VAL HA 3.000 . 4.100 2.915 2.893 2.946 . 0 0 "[ . 1 . 2]" 1
639 1 54 VAL H 1 54 VAL HB 2.300 . 3.000 2.843 2.691 3.068 0.068 1 0 "[ . 1 . 2]" 1
640 1 54 VAL H 1 54 VAL MG1 2.700 . 3.600 2.074 1.924 2.318 . 0 0 "[ . 1 . 2]" 1
641 1 54 VAL H 1 54 VAL MG2 3.100 . 6.000 3.823 3.762 3.919 . 0 0 "[ . 1 . 2]" 1
642 1 54 VAL H 1 55 GLU H 3.500 . 5.000 3.399 2.435 4.219 . 0 0 "[ . 1 . 2]" 1
643 1 54 VAL HA 1 54 VAL HB 2.700 . 3.600 2.459 2.396 2.518 . 0 0 "[ . 1 . 2]" 1
644 1 54 VAL HA 1 54 VAL MG1 2.900 . 3.900 3.201 3.189 3.214 . 0 0 "[ . 1 . 2]" 1
645 1 54 VAL HA 1 54 VAL MG2 2.500 . 3.300 2.340 2.218 2.435 . 0 0 "[ . 1 . 2]" 1
646 1 54 VAL HA 1 55 GLU H 2.600 . 3.500 2.575 2.175 2.933 . 0 0 "[ . 1 . 2]" 1
647 1 54 VAL HB 1 54 VAL MG1 2.200 . 2.800 2.098 2.078 2.124 . 0 0 "[ . 1 . 2]" 1
648 1 54 VAL HB 1 54 VAL MG2 2.300 . 2.900 2.108 2.085 2.128 . 0 0 "[ . 1 . 2]" 1
649 1 55 GLU H 1 55 GLU HA 2.700 . 3.600 2.934 2.928 2.944 . 0 0 "[ . 1 . 2]" 1
650 1 55 GLU H 1 55 GLU HB2 3.100 . 4.300 2.453 2.238 2.773 . 0 0 "[ . 1 . 2]" 1
651 1 55 GLU H 1 55 GLU HB3 3.500 . 5.000 3.598 3.371 3.731 . 0 0 "[ . 1 . 2]" 1
652 1 55 GLU H 1 55 GLU HG2 3.700 . 5.400 3.549 2.244 4.607 . 0 0 "[ . 1 . 2]" 1
653 1 55 GLU H 1 56 THR H 4.100 . 6.000 4.407 4.190 4.550 . 0 0 "[ . 1 . 2]" 1
654 1 55 GLU HA 1 55 GLU HB3 2.700 . 3.600 2.546 2.339 2.781 . 0 0 "[ . 1 . 2]" 1
655 1 55 GLU HA 1 55 GLU HG2 4.800 . 6.000 2.699 2.105 3.244 . 0 0 "[ . 1 . 2]" 1
656 1 55 GLU HB3 1 56 THR MG 3.400 . 6.000 3.939 3.564 4.187 . 0 0 "[ . 1 . 2]" 1
657 1 55 GLU HG2 1 56 THR H 4.400 . 6.000 4.000 3.095 4.735 . 0 0 "[ . 1 . 2]" 1
658 1 56 THR H 1 56 THR HB 3.600 . 5.200 3.420 2.683 3.931 . 0 0 "[ . 1 . 2]" 1
659 1 56 THR H 1 56 THR HG1 3.600 . 5.200 4.468 3.772 4.964 . 0 0 "[ . 1 . 2]" 1
660 1 56 THR H 1 57 ARG H 2.900 . 3.900 2.602 1.990 3.425 . 0 0 "[ . 1 . 2]" 1
661 1 56 THR H 1 57 ARG HA 3.900 . 5.800 4.360 4.168 4.822 . 0 0 "[ . 1 . 2]" 1
662 1 56 THR HA 1 56 THR MG 2.800 . 3.800 3.135 2.622 3.230 . 0 0 "[ . 1 . 2]" 1
663 1 56 THR HB 1 57 ARG H 4.100 . 6.000 4.641 4.540 4.694 . 0 0 "[ . 1 . 2]" 1
664 1 56 THR HG1 1 57 ARG H 4.100 . 6.000 4.801 4.252 5.575 . 0 0 "[ . 1 . 2]" 1
665 1 57 ARG H 1 57 ARG HB2 2.800 . 3.800 2.438 2.092 3.656 . 0 0 "[ . 1 . 2]" 1
666 1 57 ARG H 1 57 ARG HD2 3.900 . 5.800 4.728 2.604 5.781 . 0 0 "[ . 1 . 2]" 1
667 1 57 ARG H 1 57 ARG HD3 4.100 . 6.000 4.645 2.868 5.333 . 0 0 "[ . 1 . 2]" 1
668 1 57 ARG H 1 57 ARG HG2 3.000 . 4.100 3.508 2.227 4.122 0.022 6 0 "[ . 1 . 2]" 1
669 1 57 ARG H 1 58 LYS H 3.900 . 5.800 4.546 4.513 4.584 . 0 0 "[ . 1 . 2]" 1
670 1 57 ARG HA 1 57 ARG HB2 2.800 . 3.800 2.956 2.465 3.024 . 0 0 "[ . 1 . 2]" 1
671 1 57 ARG HA 1 57 ARG HG2 3.400 . 4.900 2.473 2.038 3.575 . 0 0 "[ . 1 . 2]" 1
672 1 57 ARG HA 1 58 LYS H 2.800 . 3.700 2.498 2.412 2.539 . 0 0 "[ . 1 . 2]" 1
673 1 58 LYS H 1 58 LYS HB2 2.700 . 3.600 2.482 2.104 3.639 0.039 20 0 "[ . 1 . 2]" 1
674 1 58 LYS H 1 58 LYS HE2 4.100 . 6.000 5.007 3.834 5.817 . 0 0 "[ . 1 . 2]" 1
675 1 58 LYS HA 1 58 LYS HB2 2.900 . 3.900 2.853 2.423 3.026 . 0 0 "[ . 1 . 2]" 1
676 1 59 ARG H 1 59 ARG HB2 3.000 . 4.200 3.184 2.395 3.992 . 0 0 "[ . 1 . 2]" 1
677 1 59 ARG H 1 59 ARG HB3 3.400 . 4.800 3.442 2.540 3.906 . 0 0 "[ . 1 . 2]" 1
678 1 59 ARG H 1 59 ARG HD2 4.000 . 6.000 3.996 2.124 5.830 . 0 0 "[ . 1 . 2]" 1
679 1 59 ARG H 1 59 ARG HD3 4.200 . 6.000 4.217 2.474 5.426 . 0 0 "[ . 1 . 2]" 1
680 1 59 ARG H 1 60 CYS H 3.300 . 4.600 4.468 4.337 4.552 . 0 0 "[ . 1 . 2]" 1
681 1 59 ARG HA 1 59 ARG HB2 2.800 . 3.800 2.751 2.421 3.023 . 0 0 "[ . 1 . 2]" 1
682 1 59 ARG HA 1 59 ARG HB3 2.900 . 4.000 2.450 2.345 3.024 . 0 0 "[ . 1 . 2]" 1
683 1 59 ARG HA 1 60 CYS H 2.700 . 3.600 2.273 2.175 2.390 . 0 0 "[ . 1 . 2]" 1
684 1 60 CYS H 1 60 CYS HA 2.500 . 3.300 2.938 2.924 2.949 . 0 0 "[ . 1 . 2]" 1
685 1 60 CYS H 1 60 CYS HB2 2.700 . 3.600 2.627 2.286 3.119 . 0 0 "[ . 1 . 2]" 1
686 1 60 CYS H 1 60 CYS HB3 2.700 . 3.600 3.130 2.865 3.354 . 0 0 "[ . 1 . 2]" 1
687 1 60 CYS H 1 61 LYS H 3.300 . 4.700 4.233 4.086 4.446 . 0 0 "[ . 1 . 2]" 1
688 1 60 CYS HA 1 60 CYS HB2 3.000 . 4.100 2.743 2.523 2.839 . 0 0 "[ . 1 . 2]" 1
689 1 60 CYS HA 1 60 CYS HB3 3.000 . 4.100 2.930 2.865 3.020 . 0 0 "[ . 1 . 2]" 1
690 1 60 CYS HB2 1 61 LYS H 4.000 . 6.000 4.521 4.344 4.576 . 0 0 "[ . 1 . 2]" 1
691 1 60 CYS HB3 1 61 LYS H 3.500 . 5.100 3.927 3.559 4.231 . 0 0 "[ . 1 . 2]" 1
692 1 61 LYS H 1 61 LYS HA 2.300 . 2.900 2.884 2.843 2.936 0.036 10 0 "[ . 1 . 2]" 1
693 1 61 LYS H 1 61 LYS HB2 3.100 . 4.300 2.275 2.108 2.423 . 0 0 "[ . 1 . 2]" 1
694 1 61 LYS H 1 61 LYS HB3 3.500 . 5.100 3.539 3.383 3.643 . 0 0 "[ . 1 . 2]" 1
695 1 61 LYS H 1 61 LYS HD2 3.700 . 5.400 3.895 2.505 5.168 . 0 0 "[ . 1 . 2]" 1
696 1 61 LYS H 1 61 LYS HE2 3.900 . 5.800 4.681 2.883 5.777 . 0 0 "[ . 1 . 2]" 1
697 1 61 LYS H 1 61 LYS HG2 3.200 . 4.500 4.100 3.362 4.500 . 0 0 "[ . 1 . 2]" 1
698 1 61 LYS H 1 62 ILE H 3.700 . 5.500 3.989 3.627 4.294 . 0 0 "[ . 1 . 2]" 1
699 1 61 LYS HA 1 61 LYS HB2 3.000 . 4.100 2.993 2.924 3.021 . 0 0 "[ . 1 . 2]" 1
700 1 61 LYS HA 1 61 LYS HB3 2.600 . 3.500 2.618 2.502 2.765 . 0 0 "[ . 1 . 2]" 1
701 1 61 LYS HB2 1 61 LYS HG2 2.500 . 3.300 2.829 2.467 3.011 . 0 0 "[ . 1 . 2]" 1
702 1 61 LYS HB3 1 62 ILE H 4.000 . 6.000 4.068 3.809 4.234 . 0 0 "[ . 1 . 2]" 1
703 1 62 ILE H 1 62 ILE HA 3.000 . 4.100 2.939 2.931 2.945 . 0 0 "[ . 1 . 2]" 1
704 1 62 ILE H 1 62 ILE HB 2.800 . 3.800 2.843 2.758 2.960 . 0 0 "[ . 1 . 2]" 1
705 1 62 ILE H 1 62 ILE MD 3.100 . 6.000 3.810 3.141 4.232 . 0 0 "[ . 1 . 2]" 1
706 1 62 ILE H 1 62 ILE HG13 3.500 . 5.000 3.012 2.661 4.032 . 0 0 "[ . 1 . 2]" 1
707 1 62 ILE H 1 62 ILE MG 3.300 . 6.000 3.933 3.903 3.957 . 0 0 "[ . 1 . 2]" 1
708 1 62 ILE H 1 63 VAL H 4.300 . 6.000 4.381 4.322 4.412 . 0 0 "[ . 1 . 2]" 1
709 1 62 ILE HA 1 62 ILE HB 3.000 . 4.100 3.013 2.992 3.023 . 0 0 "[ . 1 . 2]" 1
710 1 62 ILE HA 1 62 ILE MD 2.500 . 6.000 3.653 2.253 3.943 . 0 0 "[ . 1 . 2]" 1
711 1 62 ILE HA 1 62 ILE HG13 3.700 . 5.400 3.098 2.415 3.917 . 0 0 "[ . 1 . 2]" 1
712 1 62 ILE HA 1 62 ILE MG 2.600 . 3.500 2.296 2.143 2.413 . 0 0 "[ . 1 . 2]" 1
713 1 62 ILE HA 1 63 VAL H 2.300 . 3.000 2.210 2.155 2.288 . 0 0 "[ . 1 . 2]" 1
714 1 62 ILE HA 1 63 VAL MG2 4.200 . 6.000 3.362 3.060 3.772 . 0 0 "[ . 1 . 2]" 1
715 1 62 ILE HB 1 62 ILE MG 2.400 . 3.100 2.104 2.080 2.125 . 0 0 "[ . 1 . 2]" 1
716 1 63 VAL H 1 63 VAL HB 3.500 . 5.100 3.849 3.781 3.924 . 0 0 "[ . 1 . 2]" 1
717 1 63 VAL H 1 63 VAL MG1 2.500 . 6.000 3.365 3.089 3.617 . 0 0 "[ . 1 . 2]" 1
718 1 63 VAL H 1 63 VAL MG2 4.000 . 5.000 2.225 2.084 2.361 . 0 0 "[ . 1 . 2]" 1
719 1 63 VAL H 1 64 ALA H 4.200 . 6.000 4.391 4.377 4.404 . 0 0 "[ . 1 . 2]" 1
720 1 63 VAL H 1 66 GLN H 4.100 . 6.000 5.908 5.710 6.023 0.023 18 0 "[ . 1 . 2]" 1
721 1 63 VAL HA 1 63 VAL HB 2.300 . 2.900 2.557 2.453 2.659 . 0 0 "[ . 1 . 2]" 1
722 1 63 VAL HA 1 63 VAL MG2 2.600 . 6.000 3.181 3.144 3.209 . 0 0 "[ . 1 . 2]" 1
723 1 63 VAL HA 1 64 ALA H 2.400 . 3.100 2.546 2.506 2.570 . 0 0 "[ . 1 . 2]" 1
724 1 63 VAL HB 1 63 VAL MG1 2.300 . 3.000 2.101 2.076 2.127 . 0 0 "[ . 1 . 2]" 1
725 1 63 VAL HB 1 63 VAL MG2 2.300 . 2.900 2.111 2.085 2.131 . 0 0 "[ . 1 . 2]" 1
726 1 63 VAL HB 1 64 ALA H 2.500 . 3.300 2.108 2.052 2.234 . 0 0 "[ . 1 . 2]" 1
727 1 63 VAL HB 1 64 ALA HA 3.500 . 5.000 3.962 3.828 4.134 . 0 0 "[ . 1 . 2]" 1
728 1 63 VAL MG1 1 63 VAL MG2 2.200 . 6.000 2.024 1.899 2.096 . 0 0 "[ . 1 . 2]" 1
729 1 64 ALA H 1 64 ALA HA 2.800 . 3.800 2.280 2.267 2.292 . 0 0 "[ . 1 . 2]" 1
730 1 64 ALA H 1 64 ALA MB 2.600 . 6.000 2.943 2.906 2.989 . 0 0 "[ . 1 . 2]" 1
731 1 64 ALA H 1 65 GLY H 4.600 . 6.000 4.639 4.618 4.663 . 0 0 "[ . 1 . 2]" 1
732 1 64 ALA HA 1 64 ALA MB 2.100 . 2.700 2.103 2.083 2.126 . 0 0 "[ . 1 . 2]" 1
733 1 64 ALA HA 1 79 ALA H 3.200 . 4.500 3.110 2.496 3.749 . 0 0 "[ . 1 . 2]" 1
734 1 65 GLY H 1 65 GLY HA2 2.900 . 4.000 2.900 2.877 2.938 . 0 0 "[ . 1 . 2]" 1
735 1 65 GLY H 1 65 GLY HA3 2.000 . 2.500 2.339 2.309 2.407 . 0 0 "[ . 1 . 2]" 1
736 1 65 GLY H 1 66 GLN H 2.800 . 3.800 3.886 3.841 3.927 0.127 20 0 "[ . 1 . 2]" 1
737 1 65 GLY H 1 79 ALA H 3.800 . 5.600 4.531 3.593 5.532 . 0 0 "[ . 1 . 2]" 1
738 1 65 GLY HA2 1 66 GLN H 2.700 . 3.600 2.347 2.293 2.415 . 0 0 "[ . 1 . 2]" 1
739 1 65 GLY HA3 1 66 GLN H 3.100 . 4.300 3.518 3.497 3.545 . 0 0 "[ . 1 . 2]" 1
740 1 65 GLY HA3 1 78 VAL HA 3.600 . 5.200 3.713 3.351 4.074 . 0 0 "[ . 1 . 2]" 1
741 1 66 GLN H 1 66 GLN HA 2.800 . 3.800 2.950 2.945 2.954 . 0 0 "[ . 1 . 2]" 1
742 1 66 GLN H 1 66 GLN HB2 2.400 . 3.100 2.622 2.470 2.793 . 0 0 "[ . 1 . 2]" 1
743 1 66 GLN H 1 66 GLN HB3 3.300 . 4.600 3.745 3.630 3.819 . 0 0 "[ . 1 . 2]" 1
744 1 66 GLN H 1 66 GLN HG2 2.900 . 3.900 3.078 2.637 3.582 . 0 0 "[ . 1 . 2]" 1
745 1 66 GLN H 1 67 THR H 3.800 . 5.600 4.487 4.454 4.509 . 0 0 "[ . 1 . 2]" 1
746 1 66 GLN H 1 77 VAL H 3.500 . 5.100 3.144 2.848 3.540 . 0 0 "[ . 1 . 2]" 1
747 1 66 GLN HA 1 66 GLN HB3 2.400 . 3.100 2.487 2.374 2.648 . 0 0 "[ . 1 . 2]" 1
748 1 66 GLN HA 1 66 GLN HG2 2.500 . 3.300 2.714 2.297 3.016 . 0 0 "[ . 1 . 2]" 1
749 1 66 GLN HA 1 67 THR H 2.400 . 3.100 2.362 2.262 2.522 . 0 0 "[ . 1 . 2]" 1
750 1 66 GLN HB2 1 67 THR H 3.600 . 5.200 3.675 3.413 3.956 . 0 0 "[ . 1 . 2]" 1
751 1 66 GLN HB3 1 67 THR H 2.800 . 3.800 2.524 2.135 2.760 . 0 0 "[ . 1 . 2]" 1
752 1 66 GLN HG2 1 67 THR H 3.600 . 5.300 4.582 4.112 4.889 . 0 0 "[ . 1 . 2]" 1
753 1 67 THR H 1 67 THR HA 2.800 . 3.800 2.943 2.936 2.948 . 0 0 "[ . 1 . 2]" 1
754 1 67 THR H 1 67 THR HB 2.700 . 3.600 2.725 2.540 3.067 . 0 0 "[ . 1 . 2]" 1
755 1 67 THR H 1 67 THR HG1 3.400 . 4.800 2.872 2.307 3.625 . 0 0 "[ . 1 . 2]" 1
756 1 67 THR H 1 68 VAL H 3.900 . 5.800 4.496 4.429 4.525 . 0 0 "[ . 1 . 2]" 1
757 1 67 THR HA 1 67 THR HB 2.600 . 3.500 3.008 2.934 3.023 . 0 0 "[ . 1 . 2]" 1
758 1 67 THR HA 1 67 THR MG 2.400 . 6.000 2.314 2.081 2.506 . 0 0 "[ . 1 . 2]" 1
759 1 67 THR HA 1 68 VAL H 2.200 . 2.800 2.268 2.200 2.322 . 0 0 "[ . 1 . 2]" 1
760 1 67 THR HA 1 76 GLN H 4.500 . 6.000 4.553 4.394 4.758 . 0 0 "[ . 1 . 2]" 1
761 1 67 THR HA 1 76 GLN HA 1.900 . 2.400 1.807 1.686 1.913 . 0 0 "[ . 1 . 2]" 1
762 1 67 THR HA 1 76 GLN HB3 3.600 . 5.200 3.594 3.011 4.392 . 0 0 "[ . 1 . 2]" 1
763 1 67 THR HA 1 77 VAL H 2.800 . 3.800 3.160 2.781 3.442 . 0 0 "[ . 1 . 2]" 1
764 1 67 THR HB 1 67 THR MG 2.100 . 2.600 2.096 2.069 2.116 . 0 0 "[ . 1 . 2]" 1
765 1 67 THR HB 1 68 VAL H 3.800 . 5.700 3.685 3.159 3.893 . 0 0 "[ . 1 . 2]" 1
766 1 67 THR HB 1 76 GLN HA 4.400 . 6.000 4.378 4.138 4.649 . 0 0 "[ . 1 . 2]" 1
767 1 67 THR HG1 1 68 VAL H 3.500 . 5.000 4.637 4.097 5.019 0.019 14 0 "[ . 1 . 2]" 1
768 1 67 THR HG1 1 77 VAL H 3.700 . 5.400 4.224 3.153 5.214 . 0 0 "[ . 1 . 2]" 1
769 1 67 THR MG 1 74 SER HA 4.200 . 6.000 3.826 3.501 4.247 . 0 0 "[ . 1 . 2]" 1
770 1 68 VAL H 1 68 VAL HA 3.000 . 4.100 2.942 2.936 2.950 . 0 0 "[ . 1 . 2]" 1
771 1 68 VAL H 1 68 VAL HB 2.600 . 3.500 2.655 2.475 3.257 . 0 0 "[ . 1 . 2]" 1
772 1 68 VAL H 1 68 VAL MG1 3.600 . 5.200 3.357 3.169 3.920 . 0 0 "[ . 1 . 2]" 1
773 1 68 VAL H 1 68 VAL MG2 2.500 . 6.000 3.524 1.801 3.749 . 0 0 "[ . 1 . 2]" 1
774 1 68 VAL H 1 69 SER H 3.800 . 5.600 4.439 4.410 4.475 . 0 0 "[ . 1 . 2]" 1
775 1 68 VAL H 1 75 VAL H 2.900 . 6.000 3.189 2.806 3.519 . 0 0 "[ . 1 . 2]" 1
776 1 68 VAL H 1 76 GLN HA 3.100 . 4.300 3.128 2.852 3.300 . 0 0 "[ . 1 . 2]" 1
777 1 68 VAL H 1 76 GLN HB2 4.400 . 6.000 5.883 5.411 6.074 0.074 16 0 "[ . 1 . 2]" 1
778 1 68 VAL H 1 76 GLN HB3 4.500 . 6.000 5.406 4.906 6.046 0.046 13 0 "[ . 1 . 2]" 1
779 1 68 VAL H 1 77 VAL H 3.900 . 5.800 4.989 4.595 5.400 . 0 0 "[ . 1 . 2]" 1
780 1 68 VAL HA 1 68 VAL HB 3.000 . 4.100 2.886 2.846 2.956 . 0 0 "[ . 1 . 2]" 1
781 1 68 VAL HA 1 68 VAL MG1 2.300 . 3.000 2.853 2.031 3.002 0.002 17 0 "[ . 1 . 2]" 1
782 1 68 VAL HA 1 68 VAL MG2 2.300 . 6.000 2.122 1.925 2.942 . 0 0 "[ . 1 . 2]" 1
783 1 68 VAL HA 1 69 SER H 2.200 . 2.800 2.296 2.218 2.346 . 0 0 "[ . 1 . 2]" 1
784 1 68 VAL HB 1 69 SER H 3.900 . 5.800 4.215 3.219 4.388 . 0 0 "[ . 1 . 2]" 1
785 1 68 VAL MG2 1 69 SER HA 4.000 . 5.000 5.005 4.847 5.131 0.131 12 0 "[ . 1 . 2]" 1
786 1 69 SER H 1 69 SER HA 2.900 . 4.000 2.931 2.906 2.943 . 0 0 "[ . 1 . 2]" 1
787 1 69 SER H 1 69 SER HB2 3.100 . 4.300 3.157 2.580 3.933 . 0 0 "[ . 1 . 2]" 1
788 1 69 SER H 1 69 SER HB3 2.900 . 4.000 3.673 3.077 3.926 . 0 0 "[ . 1 . 2]" 1
789 1 69 SER H 1 70 PHE H 3.900 . 5.800 4.337 4.294 4.374 . 0 0 "[ . 1 . 2]" 1
790 1 69 SER HA 1 69 SER HB2 2.500 . 3.300 2.839 2.363 3.022 . 0 0 "[ . 1 . 2]" 1
791 1 69 SER HA 1 69 SER HB3 2.400 . 3.100 2.450 2.249 2.663 . 0 0 "[ . 1 . 2]" 1
792 1 69 SER HA 1 70 PHE H 2.300 . 2.900 2.156 2.121 2.191 . 0 0 "[ . 1 . 2]" 1
793 1 69 SER HA 1 70 PHE HA 4.200 . 6.000 4.431 4.397 4.451 . 0 0 "[ . 1 . 2]" 1
794 1 69 SER HA 1 73 HIS HB3 5.000 . 6.000 5.393 4.719 6.006 0.006 17 0 "[ . 1 . 2]" 1
795 1 69 SER HA 1 74 SER HA 2.000 . 2.500 2.446 2.187 2.546 0.046 18 0 "[ . 1 . 2]" 1
796 1 69 SER HA 1 75 VAL H 3.000 . 4.100 3.603 3.406 3.786 . 0 0 "[ . 1 . 2]" 1
797 1 69 SER HB2 1 70 PHE H 3.300 . 4.700 3.752 2.972 4.384 . 0 0 "[ . 1 . 2]" 1
798 1 69 SER HB2 1 70 PHE HB2 4.400 . 6.000 5.772 5.186 6.003 0.003 14 0 "[ . 1 . 2]" 1
799 1 69 SER HB3 1 70 PHE H 3.500 . 5.000 3.425 2.947 4.217 . 0 0 "[ . 1 . 2]" 1
800 1 70 PHE H 1 70 PHE HA 2.700 . 3.600 2.909 2.800 2.947 . 0 0 "[ . 1 . 2]" 1
801 1 70 PHE H 1 70 PHE HB2 2.800 . 3.800 3.440 3.292 3.694 . 0 0 "[ . 1 . 2]" 1
802 1 70 PHE H 1 70 PHE HB3 3.400 . 4.800 2.810 2.596 3.126 . 0 0 "[ . 1 . 2]" 1
803 1 70 PHE H 1 70 PHE QD 4.400 . 6.000 4.333 4.270 4.440 . 0 0 "[ . 1 . 2]" 1
804 1 70 PHE H 1 71 ALA H 4.700 . 6.000 4.056 2.901 4.152 . 0 0 "[ . 1 . 2]" 1
805 1 70 PHE H 1 73 HIS H 3.200 . 4.500 3.057 2.373 3.635 . 0 0 "[ . 1 . 2]" 1
806 1 70 PHE H 1 74 SER HA 3.300 . 4.700 3.777 3.531 4.071 . 0 0 "[ . 1 . 2]" 1
807 1 70 PHE HA 1 70 PHE HB2 2.300 . 3.000 2.401 2.368 2.451 . 0 0 "[ . 1 . 2]" 1
808 1 70 PHE HA 1 70 PHE HB3 2.500 . 3.300 3.018 3.010 3.027 . 0 0 "[ . 1 . 2]" 1
809 1 70 PHE HA 1 70 PHE QD 1.900 . 2.300 2.154 2.011 2.281 . 0 0 "[ . 1 . 2]" 1
810 1 70 PHE HA 1 70 PHE QE 5.100 . 6.000 4.492 4.367 4.593 . 0 0 "[ . 1 . 2]" 1
811 1 70 PHE HA 1 71 ALA H 2.700 . 3.600 2.225 2.134 3.533 . 0 0 "[ . 1 . 2]" 1
812 1 70 PHE HA 1 73 HIS H 3.900 . 5.800 4.655 4.128 5.685 . 0 0 "[ . 1 . 2]" 1
813 1 70 PHE HB2 1 70 PHE QD 2.600 . 3.500 2.749 2.719 2.763 . 0 0 "[ . 1 . 2]" 1
814 1 70 PHE HB2 1 70 PHE QE 4.600 . 6.000 4.498 4.483 4.510 . 0 0 "[ . 1 . 2]" 1
815 1 70 PHE HB2 1 71 ALA H 5.100 . 6.000 4.167 3.483 4.339 . 0 0 "[ . 1 . 2]" 1
816 1 70 PHE HB3 1 70 PHE QD 2.500 . 6.000 2.389 2.295 2.436 . 0 0 "[ . 1 . 2]" 1
817 1 70 PHE HB3 1 71 ALA H 3.300 . 4.600 4.202 2.029 4.368 . 0 0 "[ . 1 . 2]" 1
818 1 70 PHE QD 1 71 ALA MB 3.700 . 5.400 2.888 2.623 3.133 . 0 0 "[ . 1 . 2]" 1
819 1 70 PHE QE 1 71 ALA MB 3.400 . 6.000 2.804 2.409 3.057 . 0 0 "[ . 1 . 2]" 1
820 1 71 ALA H 1 71 ALA HA 2.900 . 3.900 2.316 2.270 2.931 . 0 0 "[ . 1 . 2]" 1
821 1 71 ALA H 1 71 ALA MB 2.800 . 3.800 2.760 2.557 2.860 . 0 0 "[ . 1 . 2]" 1
822 1 71 ALA HA 1 71 ALA MB 2.300 . 3.000 2.098 2.079 2.121 . 0 0 "[ . 1 . 2]" 1
823 1 71 ALA HA 1 72 GLY H 3.400 . 4.900 3.221 2.268 3.540 . 0 0 "[ . 1 . 2]" 1
824 1 71 ALA MB 1 72 GLY H 3.800 . 5.600 2.746 1.987 3.708 0.013 1 0 "[ . 1 . 2]" 1
825 1 71 ALA MB 1 73 HIS H 3.800 . 5.000 3.539 3.264 4.015 . 0 0 "[ . 1 . 2]" 1
826 1 72 GLY H 1 73 HIS H 3.100 . 4.300 2.154 1.896 2.849 0.004 14 0 "[ . 1 . 2]" 1
827 1 72 GLY HA2 1 73 HIS H 3.200 . 4.500 3.358 3.285 3.466 . 0 0 "[ . 1 . 2]" 1
828 1 72 GLY HA3 1 73 HIS H 3.200 . 4.500 3.224 2.986 3.304 . 0 0 "[ . 1 . 2]" 1
829 1 72 GLY HA3 1 73 HIS HA 3.100 . 4.300 4.384 4.364 4.394 0.094 4 0 "[ . 1 . 2]" 1
830 1 73 HIS H 1 73 HIS HA 2.600 . 3.400 2.895 2.890 2.903 . 0 0 "[ . 1 . 2]" 1
831 1 73 HIS H 1 73 HIS HB2 2.500 . 3.300 2.664 2.467 2.797 . 0 0 "[ . 1 . 2]" 1
832 1 73 HIS H 1 73 HIS HB3 3.400 . 4.800 3.648 3.638 3.661 . 0 0 "[ . 1 . 2]" 1
833 1 73 HIS H 1 73 HIS HD2 3.600 . 5.300 4.431 4.142 4.674 . 0 0 "[ . 1 . 2]" 1
834 1 73 HIS H 1 73 HIS HE1 2.500 . 6.000 4.496 4.237 5.233 . 0 0 "[ . 1 . 2]" 1
835 1 73 HIS H 1 74 SER H 4.000 . 6.000 4.219 3.950 4.376 . 0 0 "[ . 1 . 2]" 1
836 1 73 HIS HA 1 73 HIS HB3 2.600 . 3.400 2.384 2.334 2.483 . 0 0 "[ . 1 . 2]" 1
837 1 73 HIS HA 1 74 SER H 2.700 . 3.600 2.203 2.146 2.326 . 0 0 "[ . 1 . 2]" 1
838 1 73 HIS HB2 1 73 HIS HD2 3.000 . 4.100 2.913 2.787 3.048 . 0 0 "[ . 1 . 2]" 1
839 1 73 HIS HB2 1 74 SER H 4.100 . 6.000 4.314 4.139 4.455 . 0 0 "[ . 1 . 2]" 1
840 1 73 HIS HB3 1 73 HIS HD2 3.200 . 4.500 3.198 3.034 3.355 . 0 0 "[ . 1 . 2]" 1
841 1 73 HIS HB3 1 74 SER H 3.900 . 5.800 3.831 3.610 4.153 . 0 0 "[ . 1 . 2]" 1
842 1 74 SER H 1 74 SER HB2 3.200 . 4.500 2.594 2.213 3.117 . 0 0 "[ . 1 . 2]" 1
843 1 74 SER H 1 74 SER HB3 3.800 . 5.600 3.552 3.114 3.795 . 0 0 "[ . 1 . 2]" 1
844 1 74 SER H 1 75 VAL H 4.800 . 6.000 4.193 3.924 4.433 . 0 0 "[ . 1 . 2]" 1
845 1 74 SER HA 1 74 SER HB2 2.500 . 3.300 2.946 2.742 3.029 . 0 0 "[ . 1 . 2]" 1
846 1 74 SER HA 1 74 SER HB3 2.500 . 3.300 2.589 2.257 2.940 . 0 0 "[ . 1 . 2]" 1
847 1 74 SER HA 1 75 VAL H 2.300 . 3.000 2.164 2.132 2.220 . 0 0 "[ . 1 . 2]" 1
848 1 74 SER HA 1 75 VAL HA 4.400 . 6.000 4.403 4.388 4.420 . 0 0 "[ . 1 . 2]" 1
849 1 74 SER HB2 1 75 VAL H 3.400 . 4.900 4.414 3.938 4.641 . 0 0 "[ . 1 . 2]" 1
850 1 74 SER HB3 1 75 VAL H 3.000 . 4.100 3.791 3.389 4.071 . 0 0 "[ . 1 . 2]" 1
851 1 75 VAL H 1 75 VAL HA 2.800 . 3.800 2.942 2.921 2.953 . 0 0 "[ . 1 . 2]" 1
852 1 75 VAL H 1 75 VAL HB 2.700 . 3.600 2.768 2.634 2.894 . 0 0 "[ . 1 . 2]" 1
853 1 75 VAL H 1 75 VAL MG1 2.900 . 6.000 3.909 3.846 3.962 . 0 0 "[ . 1 . 2]" 1
854 1 75 VAL H 1 75 VAL MG2 2.600 . 6.000 2.793 2.590 3.029 . 0 0 "[ . 1 . 2]" 1
855 1 75 VAL H 1 76 GLN H 3.700 . 5.400 4.451 4.386 4.497 . 0 0 "[ . 1 . 2]" 1
856 1 75 VAL HA 1 75 VAL HB 2.400 . 3.100 3.016 3.012 3.021 . 0 0 "[ . 1 . 2]" 1
857 1 75 VAL HA 1 75 VAL MG1 2.300 . 3.000 2.304 2.196 2.421 . 0 0 "[ . 1 . 2]" 1
858 1 75 VAL HA 1 75 VAL MG2 2.200 . 6.000 2.417 2.292 2.539 . 0 0 "[ . 1 . 2]" 1
859 1 75 VAL HA 1 76 GLN H 2.200 . 2.800 2.316 2.263 2.371 . 0 0 "[ . 1 . 2]" 1
860 1 76 GLN H 1 76 GLN HA 2.900 . 4.000 2.942 2.939 2.945 . 0 0 "[ . 1 . 2]" 1
861 1 76 GLN H 1 76 GLN HB2 2.400 . 3.100 2.649 2.386 2.842 . 0 0 "[ . 1 . 2]" 1
862 1 76 GLN H 1 76 GLN HB3 3.500 . 5.100 3.689 3.246 3.774 . 0 0 "[ . 1 . 2]" 1
863 1 76 GLN H 1 76 GLN HG2 3.800 . 5.600 3.984 3.310 4.793 . 0 0 "[ . 1 . 2]" 1
864 1 76 GLN H 1 76 GLN HG3 3.600 . 5.200 2.928 2.271 4.144 . 0 0 "[ . 1 . 2]" 1
865 1 76 GLN H 1 77 VAL H 3.900 . 5.800 4.503 4.490 4.516 . 0 0 "[ . 1 . 2]" 1
866 1 76 GLN HA 1 76 GLN HB3 2.400 . 3.100 2.454 2.328 2.861 . 0 0 "[ . 1 . 2]" 1
867 1 76 GLN HA 1 77 VAL H 2.300 . 3.000 2.389 2.242 2.497 . 0 0 "[ . 1 . 2]" 1
868 1 76 GLN HB2 1 77 VAL H 3.700 . 5.400 3.519 3.111 4.103 . 0 0 "[ . 1 . 2]" 1
869 1 77 VAL H 1 77 VAL HA 2.900 . 4.000 2.940 2.927 2.949 . 0 0 "[ . 1 . 2]" 1
870 1 77 VAL H 1 77 VAL HB 2.400 . 3.100 2.830 2.679 3.007 . 0 0 "[ . 1 . 2]" 1
871 1 77 VAL H 1 77 VAL MG1 3.000 . 6.000 3.931 3.872 3.987 . 0 0 "[ . 1 . 2]" 1
872 1 77 VAL H 1 77 VAL MG2 2.700 . 6.000 2.710 2.466 2.942 . 0 0 "[ . 1 . 2]" 1
873 1 77 VAL H 1 78 VAL H 4.100 . 6.000 4.418 4.370 4.466 . 0 0 "[ . 1 . 2]" 1
874 1 77 VAL HA 1 77 VAL MG1 2.200 . 6.000 2.282 2.110 2.376 . 0 0 "[ . 1 . 2]" 1
875 1 77 VAL HA 1 77 VAL MG2 2.300 . 3.000 2.492 2.375 2.634 . 0 0 "[ . 1 . 2]" 1
876 1 77 VAL HB 1 78 VAL H 4.100 . 6.000 3.782 3.665 3.969 . 0 0 "[ . 1 . 2]" 1
877 1 78 VAL H 1 78 VAL HB 3.700 . 5.400 3.826 3.775 3.881 . 0 0 "[ . 1 . 2]" 1
878 1 78 VAL H 1 78 VAL MG1 2.700 . 6.000 3.104 2.911 3.295 . 0 0 "[ . 1 . 2]" 1
879 1 78 VAL H 1 78 VAL MG2 2.400 . 3.100 2.091 1.901 2.314 . 0 0 "[ . 1 . 2]" 1
880 1 78 VAL H 1 79 ALA H 4.100 . 6.000 4.447 4.395 4.491 . 0 0 "[ . 1 . 2]" 1
881 1 78 VAL HA 1 78 VAL HB 2.000 . 2.500 2.492 2.446 2.542 0.042 9 0 "[ . 1 . 2]" 1
882 1 78 VAL HA 1 78 VAL MG1 2.500 . 6.000 2.279 2.109 2.388 . 0 0 "[ . 1 . 2]" 1
883 1 78 VAL HA 1 78 VAL MG2 2.400 . 6.000 3.193 3.176 3.206 . 0 0 "[ . 1 . 2]" 1
884 1 78 VAL HA 1 79 ALA H 2.200 . 2.800 2.394 2.255 2.576 . 0 0 "[ . 1 . 2]" 1
885 1 78 VAL HA 1 79 ALA HA 4.000 . 6.000 4.427 4.294 4.588 . 0 0 "[ . 1 . 2]" 1
886 1 78 VAL HB 1 78 VAL MG1 2.300 . 3.000 2.103 2.081 2.128 . 0 0 "[ . 1 . 2]" 1
887 1 78 VAL HB 1 78 VAL MG2 2.300 . 3.000 2.103 2.083 2.131 . 0 0 "[ . 1 . 2]" 1
888 1 78 VAL HB 1 79 ALA H 2.400 . 3.100 2.406 2.029 2.750 . 0 0 "[ . 1 . 2]" 1
889 1 79 ALA H 1 79 ALA HA 2.600 . 3.500 2.892 2.797 2.950 . 0 0 "[ . 1 . 2]" 1
890 1 79 ALA H 1 79 ALA MB 2.300 . 6.000 2.453 2.036 2.839 . 0 0 "[ . 1 . 2]" 1
891 1 79 ALA HA 1 79 ALA MB 2.400 . 3.100 2.107 2.085 2.128 . 0 0 "[ . 1 . 2]" 1
stop_
save_
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