NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
619565 |
5m9z   |
34061 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5m9z
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 1071
_Distance_constraint_stats_list.Viol_count 401
_Distance_constraint_stats_list.Viol_total 580.306
_Distance_constraint_stats_list.Viol_max 0.802
_Distance_constraint_stats_list.Viol_rms 0.0226
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0024
_Distance_constraint_stats_list.Viol_average_violations_only 0.0965
_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 19 GLY 1.032 0.158 1 0 "[ . 1 .]"
1 20 LYS 0.000 0.000 . 0 "[ . 1 .]"
1 21 TYR 3.732 0.238 13 0 "[ . 1 .]"
1 22 VAL 1.196 0.399 1 0 "[ . 1 .]"
1 23 VAL 1.658 0.167 2 0 "[ . 1 .]"
1 24 VAL 1.009 0.144 10 0 "[ . 1 .]"
1 25 PRO 2.834 0.217 10 0 "[ . 1 .]"
1 27 THR 0.000 0.000 . 0 "[ . 1 .]"
1 28 SER 0.348 0.217 10 0 "[ . 1 .]"
1 29 GLN 0.000 0.000 . 0 "[ . 1 .]"
1 30 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 31 MET 3.442 0.531 14 2 "[ . - +.]"
1 32 ALA 0.319 0.069 11 0 "[ . 1 .]"
1 33 PHE 2.396 0.238 13 0 "[ . 1 .]"
1 34 LYS 2.703 0.186 8 0 "[ . 1 .]"
1 35 CYS 1.485 0.156 12 0 "[ . 1 .]"
1 36 PRO 1.702 0.144 10 0 "[ . 1 .]"
1 37 ILE 4.168 0.278 15 0 "[ . 1 .]"
1 38 CYS 0.049 0.038 2 0 "[ . 1 .]"
1 39 LYS 0.000 0.000 . 0 "[ . 1 .]"
1 40 GLU 0.124 0.063 1 0 "[ . 1 .]"
1 41 THR 2.703 0.186 8 0 "[ . 1 .]"
1 42 VAL 2.553 0.399 1 0 "[ . 1 .]"
1 43 THR 0.049 0.038 9 0 "[ . 1 .]"
1 44 GLY 1.956 0.162 11 0 "[ . 1 .]"
1 45 VAL 0.260 0.057 13 0 "[ . 1 .]"
1 46 TYR 0.314 0.073 11 0 "[ . 1 .]"
1 47 ASP 0.974 0.167 2 0 "[ . 1 .]"
1 48 GLU 0.121 0.073 11 0 "[ . 1 .]"
1 49 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 50 SER 0.000 0.000 . 0 "[ . 1 .]"
1 51 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 52 GLU 0.333 0.069 7 0 "[ . 1 .]"
1 53 TRP 4.870 0.167 2 0 "[ . 1 .]"
1 54 VAL 4.656 0.238 11 0 "[ . 1 .]"
1 55 TRP 9.460 0.531 14 2 "[ . - +.]"
1 56 LYS 1.056 0.167 2 0 "[ . 1 .]"
1 57 ASN 6.129 0.802 9 4 "[ - . +** .]"
1 58 THR 1.144 0.158 1 0 "[ . 1 .]"
1 59 ILE 0.028 0.028 8 0 "[ . 1 .]"
1 60 GLU 3.015 0.548 15 1 "[ . 1 +]"
1 61 VAL 1.196 0.399 1 0 "[ . 1 .]"
1 62 ASN 1.944 0.238 13 0 "[ . 1 .]"
1 63 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 64 LYS 4.626 0.548 15 1 "[ . 1 +]"
1 65 TYR 0.871 0.099 11 0 "[ . 1 .]"
1 66 PHE 3.467 0.144 10 0 "[ . 1 .]"
1 67 HIS 0.863 0.132 5 0 "[ . 1 .]"
1 68 SER 0.000 0.000 . 0 "[ . 1 .]"
1 69 THR 5.429 0.802 9 4 "[ - . +** .]"
1 70 CYS 0.045 0.045 6 0 "[ . 1 .]"
1 71 TYR 3.044 0.238 13 0 "[ . 1 .]"
1 72 HIS 0.863 0.132 5 0 "[ . 1 .]"
1 73 GLU 2.360 0.278 15 0 "[ . 1 .]"
1 74 THR 2.059 0.399 1 0 "[ . 1 .]"
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 19 GLY H 1 19 GLY QA 3.500 . 5.000 2.262 2.228 2.294 . 0 0 "[ . 1 .]" 1
2 1 19 GLY QA 1 20 LYS H 4.200 . 6.000 2.900 2.862 2.932 . 0 0 "[ . 1 .]" 1
3 1 19 GLY QA 1 58 THR H 3.600 . 6.000 6.035 5.704 6.158 0.158 1 0 "[ . 1 .]" 1
4 1 20 LYS H 1 21 TYR H 4.900 . 6.000 4.558 4.501 4.603 . 0 0 "[ . 1 .]" 1
5 1 20 LYS H 1 21 TYR QD 4.100 . 6.000 4.743 4.663 4.796 . 0 0 "[ . 1 .]" 1
6 1 20 LYS HA 1 21 TYR H 2.200 . 2.800 2.196 2.121 2.280 . 0 0 "[ . 1 .]" 1
7 1 20 LYS HA 1 21 TYR H 2.800 . 3.800 2.193 2.119 2.276 . 0 0 "[ . 1 .]" 1
8 1 20 LYS HA 1 21 TYR QD 3.600 . 5.200 3.390 2.918 3.587 . 0 0 "[ . 1 .]" 1
9 1 20 LYS HA 1 21 TYR QE 4.200 . 6.000 4.458 4.281 4.612 . 0 0 "[ . 1 .]" 1
10 1 21 TYR H 1 21 TYR HB2 3.800 . 5.600 3.772 3.728 3.851 . 0 0 "[ . 1 .]" 1
11 1 21 TYR H 1 21 TYR QB 3.200 . 4.500 2.809 2.684 2.899 . 0 0 "[ . 1 .]" 1
12 1 21 TYR H 1 21 TYR QB 3.300 . 4.600 2.597 2.513 2.658 . 0 0 "[ . 1 .]" 1
13 1 21 TYR H 1 21 TYR HB3 3.100 . 4.300 2.899 2.751 3.006 . 0 0 "[ . 1 .]" 1
14 1 21 TYR H 1 21 TYR QD 2.700 . 3.600 2.376 1.914 2.590 . 0 0 "[ . 1 .]" 1
15 1 21 TYR H 1 22 VAL H 2.900 . 3.900 2.583 2.506 2.630 . 0 0 "[ . 1 .]" 1
16 1 21 TYR H 1 56 LYS QD 2.900 . 6.000 5.212 4.387 5.879 . 0 0 "[ . 1 .]" 1
17 1 21 TYR H 1 45 VAL HB 3.600 . 6.000 5.537 4.949 5.952 . 0 0 "[ . 1 .]" 1
18 1 21 TYR H 1 54 VAL HB 2.800 . 3.800 3.652 3.589 3.724 . 0 0 "[ . 1 .]" 1
19 1 21 TYR HA 1 21 TYR HB2 2.600 . 3.400 2.383 2.344 2.427 . 0 0 "[ . 1 .]" 1
20 1 21 TYR HA 1 21 TYR QB 2.300 . 3.000 2.183 2.174 2.196 . 0 0 "[ . 1 .]" 1
21 1 21 TYR HA 1 21 TYR HB3 2.600 . 3.500 2.534 2.497 2.580 . 0 0 "[ . 1 .]" 1
22 1 21 TYR HA 1 21 TYR QD 3.600 . 5.200 3.741 3.720 3.754 . 0 0 "[ . 1 .]" 1
23 1 21 TYR HA 1 21 TYR QD 4.000 . 6.000 3.410 3.227 3.581 . 0 0 "[ . 1 .]" 1
24 1 21 TYR HA 1 21 TYR QE 5.100 . 6.000 5.439 5.374 5.484 . 0 0 "[ . 1 .]" 1
25 1 21 TYR HA 1 22 VAL H 2.400 . 3.100 2.351 2.319 2.378 . 0 0 "[ . 1 .]" 1
26 1 21 TYR HA 1 23 VAL H 4.900 . 6.000 4.732 4.541 4.933 . 0 0 "[ . 1 .]" 1
27 1 21 TYR HA 1 54 VAL HB 4.400 . 6.000 5.120 4.973 5.347 . 0 0 "[ . 1 .]" 1
28 1 21 TYR HA 1 54 VAL MG2 4.600 . 6.000 6.017 5.927 6.084 0.084 2 0 "[ . 1 .]" 1
29 1 21 TYR HA 1 55 TRP H 4.700 . 6.000 4.590 4.312 4.848 . 0 0 "[ . 1 .]" 1
30 1 21 TYR HA 1 56 LYS HA 2.700 . 3.600 2.528 2.148 2.800 . 0 0 "[ . 1 .]" 1
31 1 21 TYR HA 1 56 LYS QD 4.400 . 6.000 5.055 3.381 5.958 . 0 0 "[ . 1 .]" 1
32 1 21 TYR HA 1 57 ASN H 4.300 . 6.000 3.446 2.967 3.868 . 0 0 "[ . 1 .]" 1
33 1 21 TYR HA 1 58 THR H 2.900 . 3.900 3.217 2.789 3.478 . 0 0 "[ . 1 .]" 1
34 1 21 TYR HA 1 58 THR HB 2.900 . 4.000 3.829 3.425 4.052 0.052 4 0 "[ . 1 .]" 1
35 1 21 TYR QB 1 21 TYR QD 2.400 . 3.100 2.141 2.135 2.152 . 0 0 "[ . 1 .]" 1
36 1 21 TYR QB 1 21 TYR QE 4.100 . 6.000 3.941 3.933 3.959 . 0 0 "[ . 1 .]" 1
37 1 21 TYR QB 1 22 VAL H 2.700 . 3.600 2.565 2.490 2.604 . 0 0 "[ . 1 .]" 1
38 1 21 TYR QB 1 54 VAL HB 3.100 . 4.300 2.685 2.537 2.908 . 0 0 "[ . 1 .]" 1
39 1 21 TYR QB 1 54 VAL MG2 3.600 . 5.200 3.911 3.817 4.064 . 0 0 "[ . 1 .]" 1
40 1 21 TYR QB 1 55 TRP H 3.600 . 5.200 3.058 2.763 3.265 . 0 0 "[ . 1 .]" 1
41 1 21 TYR QB 1 57 ASN H 4.200 . 6.000 3.868 3.308 4.268 . 0 0 "[ . 1 .]" 1
42 1 21 TYR QB 1 58 THR H 4.100 . 6.000 4.622 4.306 4.857 . 0 0 "[ . 1 .]" 1
43 1 21 TYR HB2 1 21 TYR QD 2.500 . 3.300 2.365 2.303 2.402 . 0 0 "[ . 1 .]" 1
44 1 21 TYR HB2 1 22 VAL H 2.700 . 6.000 2.599 2.521 2.640 . 0 0 "[ . 1 .]" 1
45 1 21 TYR HB2 1 54 VAL HB 2.900 . 3.900 2.768 2.624 3.005 . 0 0 "[ . 1 .]" 1
46 1 21 TYR HB2 1 54 VAL QG 3.300 . 4.600 3.545 3.414 3.747 . 0 0 "[ . 1 .]" 1
47 1 21 TYR HB2 1 55 TRP H 3.500 . 5.000 3.092 2.787 3.308 . 0 0 "[ . 1 .]" 1
48 1 21 TYR HB3 1 21 TYR QD 2.600 . 3.400 2.449 2.401 2.584 . 0 0 "[ . 1 .]" 1
49 1 21 TYR HB3 1 22 VAL H 3.900 . 5.800 3.930 3.855 3.971 . 0 0 "[ . 1 .]" 1
50 1 21 TYR HB3 1 33 PHE QE 4.200 . 6.000 6.055 5.575 6.238 0.238 13 0 "[ . 1 .]" 1
51 1 21 TYR HB3 1 54 VAL QG 3.800 . 5.600 4.000 3.833 4.194 . 0 0 "[ . 1 .]" 1
52 1 21 TYR HB3 1 55 TRP H 5.200 . 6.000 4.833 4.536 5.034 . 0 0 "[ . 1 .]" 1
53 1 21 TYR QD 1 22 VAL H 2.900 . 4.000 3.177 2.894 3.601 . 0 0 "[ . 1 .]" 1
54 1 21 TYR QD 1 22 VAL H 3.000 . 4.100 3.058 2.814 3.394 . 0 0 "[ . 1 .]" 1
55 1 21 TYR QD 1 22 VAL HA 3.100 . 4.300 3.078 2.724 3.302 . 0 0 "[ . 1 .]" 1
56 1 21 TYR QD 1 22 VAL QG 4.400 . 6.000 3.696 3.510 3.868 . 0 0 "[ . 1 .]" 1
57 1 21 TYR QD 1 23 VAL H 3.900 . 5.800 3.974 3.789 4.197 . 0 0 "[ . 1 .]" 1
58 1 21 TYR QD 1 23 VAL H 3.500 . 5.000 3.883 3.737 4.100 . 0 0 "[ . 1 .]" 1
59 1 21 TYR QD 1 23 VAL HA 3.700 . 5.400 3.296 3.172 3.458 . 0 0 "[ . 1 .]" 1
60 1 21 TYR QD 1 23 VAL HA 3.500 . 5.000 3.276 3.163 3.423 . 0 0 "[ . 1 .]" 1
61 1 21 TYR QD 1 23 VAL HB 4.300 . 6.000 3.236 2.402 4.073 . 0 0 "[ . 1 .]" 1
62 1 21 TYR QD 1 23 VAL HB 3.100 . 4.300 3.237 2.402 4.078 . 0 0 "[ . 1 .]" 1
63 1 21 TYR QD 1 23 VAL QG 3.100 . 4.300 3.515 3.387 3.707 . 0 0 "[ . 1 .]" 1
64 1 21 TYR QD 1 23 VAL QG 4.200 . 6.000 3.259 3.146 3.371 . 0 0 "[ . 1 .]" 1
65 1 21 TYR QD 1 24 VAL MG2 3.500 . 5.000 2.863 2.610 3.084 . 0 0 "[ . 1 .]" 1
66 1 21 TYR QD 1 56 LYS HA 3.000 . 6.000 4.496 4.225 4.786 . 0 0 "[ . 1 .]" 1
67 1 21 TYR QD 1 44 GLY HA3 3.300 . 4.600 4.138 3.961 4.431 . 0 0 "[ . 1 .]" 1
68 1 21 TYR QD 1 54 VAL H 3.500 . 5.000 3.450 3.345 3.548 . 0 0 "[ . 1 .]" 1
69 1 21 TYR QD 1 54 VAL HA 3.300 . 4.600 2.272 2.148 2.443 . 0 0 "[ . 1 .]" 1
70 1 21 TYR QD 1 54 VAL HB 2.400 . 3.100 2.858 2.575 3.021 . 0 0 "[ . 1 .]" 1
71 1 21 TYR QD 1 54 VAL MG1 3.400 . 4.800 2.728 2.316 2.983 . 0 0 "[ . 1 .]" 1
72 1 21 TYR QD 1 54 VAL QG 2.800 . 3.800 2.693 2.306 2.918 . 0 0 "[ . 1 .]" 1
73 1 21 TYR QD 1 54 VAL MG2 3.600 . 5.300 4.230 4.058 4.340 . 0 0 "[ . 1 .]" 1
74 1 21 TYR QD 1 55 TRP H 3.200 . 4.500 2.692 2.320 3.051 . 0 0 "[ . 1 .]" 1
75 1 21 TYR QE 1 22 VAL H 4.400 . 6.000 4.418 4.272 4.584 . 0 0 "[ . 1 .]" 1
76 1 21 TYR QE 1 22 VAL H 4.600 . 6.000 4.533 4.412 4.652 . 0 0 "[ . 1 .]" 1
77 1 21 TYR QE 1 22 VAL HA 3.800 . 5.600 3.350 2.919 3.580 . 0 0 "[ . 1 .]" 1
78 1 21 TYR QE 1 23 VAL H 4.200 . 6.000 4.181 3.949 4.433 . 0 0 "[ . 1 .]" 1
79 1 21 TYR QE 1 23 VAL H 4.000 . 6.000 4.065 3.846 4.277 . 0 0 "[ . 1 .]" 1
80 1 21 TYR QE 1 23 VAL HA 3.400 . 4.900 3.249 2.608 3.654 . 0 0 "[ . 1 .]" 1
81 1 21 TYR QE 1 23 VAL HB 3.700 . 5.400 3.294 2.835 3.740 . 0 0 "[ . 1 .]" 1
82 1 21 TYR QE 1 23 VAL QG 2.400 . 3.100 2.255 2.038 2.379 . 0 0 "[ . 1 .]" 1
83 1 21 TYR QE 1 47 ASP HB3 4.100 . 6.000 3.004 2.609 3.549 . 0 0 "[ . 1 .]" 1
84 1 21 TYR QE 1 47 ASP HB3 3.500 . 5.000 3.170 2.930 3.680 . 0 0 "[ . 1 .]" 1
85 1 21 TYR QE 1 52 GLU H 3.800 . 6.000 5.677 5.066 6.069 0.069 7 0 "[ . 1 .]" 1
86 1 21 TYR QE 1 52 GLU HG3 3.100 . 4.300 3.104 2.475 3.569 . 0 0 "[ . 1 .]" 1
87 1 21 TYR QE 1 53 TRP HB2 4.000 . 6.000 6.086 5.974 6.162 0.162 9 0 "[ . 1 .]" 1
88 1 21 TYR QE 1 54 VAL HB 3.700 . 5.500 4.173 3.681 4.728 . 0 0 "[ . 1 .]" 1
89 1 21 TYR QE 1 54 VAL QG 2.500 . 3.300 2.457 2.247 2.759 . 0 0 "[ . 1 .]" 1
90 1 21 TYR QE 1 54 VAL MG2 4.700 . 6.000 4.942 4.666 5.349 . 0 0 "[ . 1 .]" 1
91 1 22 VAL H 1 22 VAL HA 2.100 . 2.700 2.127 2.071 2.203 . 0 0 "[ . 1 .]" 1
92 1 22 VAL H 1 22 VAL HB 2.800 . 3.800 2.643 2.614 2.708 . 0 0 "[ . 1 .]" 1
93 1 22 VAL H 1 23 VAL MG2 3.900 . 5.800 5.036 4.929 5.151 . 0 0 "[ . 1 .]" 1
94 1 22 VAL H 1 23 VAL MG2 3.400 . 4.800 3.687 3.656 3.710 . 0 0 "[ . 1 .]" 1
95 1 22 VAL H 1 55 TRP HD1 4.800 . 6.000 4.653 4.465 4.854 . 0 0 "[ . 1 .]" 1
96 1 22 VAL H 1 54 VAL HB 2.500 . 3.300 2.524 2.454 2.603 . 0 0 "[ . 1 .]" 1
97 1 22 VAL H 1 55 TRP HB3 4.300 . 6.000 3.735 3.550 3.879 . 0 0 "[ . 1 .]" 1
98 1 22 VAL H 1 42 VAL MG2 3.400 . 4.900 4.549 4.354 4.736 . 0 0 "[ . 1 .]" 1
99 1 22 VAL H 1 52 GLU QB 3.000 . 6.000 5.026 4.637 5.309 . 0 0 "[ . 1 .]" 1
100 1 22 VAL H 1 58 THR H 4.000 . 6.000 3.608 3.466 3.752 . 0 0 "[ . 1 .]" 1
101 1 22 VAL H 1 54 VAL HA 4.400 . 6.000 4.431 4.232 4.706 . 0 0 "[ . 1 .]" 1
102 1 22 VAL H 1 54 VAL QG 4.400 . 6.000 4.916 4.787 5.032 . 0 0 "[ . 1 .]" 1
103 1 22 VAL H 1 55 TRP H 2.800 . 3.800 2.847 2.647 3.074 . 0 0 "[ . 1 .]" 1
104 1 22 VAL H 1 55 TRP HB3 3.900 . 5.800 3.762 3.569 3.915 . 0 0 "[ . 1 .]" 1
105 1 22 VAL H 1 56 LYS H 4.100 . 6.000 4.838 4.704 4.975 . 0 0 "[ . 1 .]" 1
106 1 22 VAL H 1 58 THR H 3.700 . 5.400 4.238 3.888 4.590 . 0 0 "[ . 1 .]" 1
107 1 22 VAL H 1 58 THR HB 3.100 . 4.300 3.093 2.730 3.324 . 0 0 "[ . 1 .]" 1
108 1 22 VAL HA 1 55 TRP HD1 3.800 . 5.600 3.350 2.922 3.586 . 0 0 "[ . 1 .]" 1
109 1 22 VAL HA 1 22 VAL HB 2.700 . 3.600 3.032 3.028 3.036 . 0 0 "[ . 1 .]" 1
110 1 22 VAL HA 1 23 VAL H 2.100 . 2.600 2.179 2.155 2.232 . 0 0 "[ . 1 .]" 1
111 1 22 VAL HA 1 65 TYR QD 3.900 . 5.800 4.446 4.177 4.800 . 0 0 "[ . 1 .]" 1
112 1 22 VAL HB 1 23 VAL H 3.500 . 5.000 4.072 4.004 4.116 . 0 0 "[ . 1 .]" 1
113 1 22 VAL HB 1 55 TRP HD1 2.800 . 3.800 3.040 2.688 3.348 . 0 0 "[ . 1 .]" 1
114 1 22 VAL HB 1 55 TRP HB2 3.300 . 4.700 2.596 2.270 2.987 . 0 0 "[ . 1 .]" 1
115 1 22 VAL HB 1 55 TRP HB3 3.800 . 5.600 3.657 3.234 3.880 . 0 0 "[ . 1 .]" 1
116 1 22 VAL HB 1 55 TRP HE3 2.800 . 3.800 3.053 2.694 3.372 . 0 0 "[ . 1 .]" 1
117 1 22 VAL HB 1 58 THR HB 3.200 . 4.500 3.038 2.618 3.590 . 0 0 "[ . 1 .]" 1
118 1 22 VAL HB 1 65 TYR QD 3.900 . 5.800 4.057 3.465 4.550 . 0 0 "[ . 1 .]" 1
119 1 22 VAL QG 1 42 VAL HB 3.400 . 4.800 4.796 4.441 5.199 0.399 1 0 "[ . 1 .]" 1
120 1 22 VAL QG 1 24 VAL H 3.600 . 5.200 3.395 3.155 3.775 . 0 0 "[ . 1 .]" 1
121 1 22 VAL MG1 1 65 TYR QD 3.500 . 5.000 2.488 2.216 2.764 . 0 0 "[ . 1 .]" 1
122 1 22 VAL MG2 1 59 ILE H 3.900 . 5.800 4.168 3.869 4.448 . 0 0 "[ . 1 .]" 1
123 1 23 VAL H 1 23 VAL HA 2.900 . 3.900 2.824 2.810 2.841 . 0 0 "[ . 1 .]" 1
124 1 23 VAL H 1 23 VAL HB 2.400 . 3.100 2.571 2.517 2.633 . 0 0 "[ . 1 .]" 1
125 1 23 VAL H 1 23 VAL MG1 3.100 . 4.300 3.766 3.754 3.782 . 0 0 "[ . 1 .]" 1
126 1 23 VAL H 1 23 VAL QG 2.200 . 2.800 1.993 1.870 2.068 . 0 0 "[ . 1 .]" 1
127 1 23 VAL H 1 23 VAL MG2 2.500 . 3.300 2.001 1.875 2.078 . 0 0 "[ . 1 .]" 1
128 1 23 VAL H 1 24 VAL H 4.300 . 6.000 4.559 4.528 4.590 . 0 0 "[ . 1 .]" 1
129 1 23 VAL H 1 54 VAL MG1 4.200 . 6.000 3.441 3.300 3.563 . 0 0 "[ . 1 .]" 1
130 1 23 VAL H 1 53 TRP HB3 5.200 . 6.000 6.038 5.962 6.167 0.167 2 0 "[ . 1 .]" 1
131 1 23 VAL H 1 54 VAL HA 4.400 . 6.000 4.552 4.499 4.650 . 0 0 "[ . 1 .]" 1
132 1 23 VAL HA 1 23 VAL HB 2.700 . 3.600 3.028 3.021 3.033 . 0 0 "[ . 1 .]" 1
133 1 23 VAL HA 1 24 VAL H 2.100 . 2.600 2.166 2.137 2.201 . 0 0 "[ . 1 .]" 1
134 1 23 VAL HA 1 24 VAL MG1 5.500 . 6.000 5.477 5.457 5.507 . 0 0 "[ . 1 .]" 1
135 1 23 VAL HA 1 24 VAL MG2 4.100 . 6.000 3.570 3.489 3.657 . 0 0 "[ . 1 .]" 1
136 1 23 VAL HA 1 46 TYR H 4.000 . 6.000 5.613 5.381 5.904 . 0 0 "[ . 1 .]" 1
137 1 23 VAL HA 1 54 VAL HA 2.200 . 2.800 2.856 2.779 2.918 0.118 11 0 "[ . 1 .]" 1
138 1 23 VAL HA 1 54 VAL HB 3.800 . 5.600 5.143 4.923 5.242 . 0 0 "[ . 1 .]" 1
139 1 23 VAL HA 1 55 TRP H 3.400 . 4.900 3.493 3.333 3.722 . 0 0 "[ . 1 .]" 1
140 1 23 VAL HA 1 55 TRP H 3.400 . 4.900 3.487 3.329 3.713 . 0 0 "[ . 1 .]" 1
141 1 23 VAL HB 1 24 VAL H 3.900 . 5.800 4.028 3.962 4.100 . 0 0 "[ . 1 .]" 1
142 1 23 VAL HB 1 53 TRP HD1 5.000 . 6.000 5.206 4.862 5.550 . 0 0 "[ . 1 .]" 1
143 1 23 VAL HB 1 65 TYR QE 3.000 . 4.100 3.248 2.815 3.627 . 0 0 "[ . 1 .]" 1
144 1 23 VAL HB 1 54 VAL HA 3.000 . 6.000 5.861 5.794 5.924 . 0 0 "[ . 1 .]" 1
145 1 23 VAL QG 1 24 VAL H 2.500 . 3.300 2.531 2.444 2.650 . 0 0 "[ . 1 .]" 1
146 1 23 VAL QG 1 24 VAL H 2.600 . 3.500 2.494 2.417 2.590 . 0 0 "[ . 1 .]" 1
147 1 23 VAL QG 1 24 VAL MG2 4.300 . 6.000 3.786 3.715 3.873 . 0 0 "[ . 1 .]" 1
148 1 23 VAL QG 1 47 ASP H 4.500 . 6.000 4.179 4.075 4.286 . 0 0 "[ . 1 .]" 1
149 1 23 VAL QG 1 55 TRP HD1 2.700 . 6.000 4.655 4.547 4.797 . 0 0 "[ . 1 .]" 1
150 1 23 VAL QG 1 46 TYR QE 5.000 . 6.000 5.117 4.617 5.483 . 0 0 "[ . 1 .]" 1
151 1 23 VAL QG 1 47 ASP H 2.700 . 6.000 4.243 4.135 4.353 . 0 0 "[ . 1 .]" 1
152 1 23 VAL QG 1 54 VAL H 3.500 . 5.000 4.307 4.261 4.355 . 0 0 "[ . 1 .]" 1
153 1 23 VAL QG 1 53 TRP H 3.000 . 6.000 2.596 2.271 3.146 . 0 0 "[ . 1 .]" 1
154 1 23 VAL QG 1 54 VAL HA 3.600 . 5.300 3.755 3.681 3.855 . 0 0 "[ . 1 .]" 1
155 1 23 VAL MG1 1 52 GLU H 4.900 . 6.000 4.172 3.807 4.496 . 0 0 "[ . 1 .]" 1
156 1 23 VAL MG1 1 46 TYR QD 4.300 . 6.000 4.450 4.331 4.562 . 0 0 "[ . 1 .]" 1
157 1 23 VAL MG1 1 47 ASP H 4.200 . 6.000 4.260 4.137 4.387 . 0 0 "[ . 1 .]" 1
158 1 23 VAL MG1 1 53 TRP H 3.100 . 4.300 2.616 2.282 3.180 . 0 0 "[ . 1 .]" 1
159 1 23 VAL MG2 1 24 VAL H 3.900 . 5.800 3.565 3.549 3.598 . 0 0 "[ . 1 .]" 1
160 1 23 VAL MG2 1 24 VAL MG1 3.800 . 5.600 4.688 4.500 4.964 . 0 0 "[ . 1 .]" 1
161 1 23 VAL MG2 1 24 VAL MG1 3.800 . 5.600 5.536 5.264 5.641 0.041 2 0 "[ . 1 .]" 1
162 1 23 VAL MG2 1 24 VAL MG2 4.100 . 6.000 4.397 4.298 4.488 . 0 0 "[ . 1 .]" 1
163 1 23 VAL MG2 1 55 TRP H 2.600 . 6.000 4.906 4.786 5.048 . 0 0 "[ . 1 .]" 1
164 1 23 VAL MG2 1 54 VAL MG2 1.900 . 6.000 3.215 3.111 3.423 . 0 0 "[ . 1 .]" 1
165 1 23 VAL MG2 1 55 TRP H 4.000 . 6.000 4.924 4.799 5.066 . 0 0 "[ . 1 .]" 1
166 1 24 VAL H 1 24 VAL HA 2.800 . 3.800 2.801 2.792 2.818 . 0 0 "[ . 1 .]" 1
167 1 24 VAL H 1 24 VAL HB 2.300 . 3.000 2.577 2.543 2.654 . 0 0 "[ . 1 .]" 1
168 1 24 VAL H 1 24 VAL MG1 3.800 . 5.600 3.771 3.762 3.779 . 0 0 "[ . 1 .]" 1
169 1 24 VAL H 1 24 VAL MG2 2.200 . 2.800 2.024 1.933 2.087 . 0 0 "[ . 1 .]" 1
170 1 24 VAL H 1 25 PRO HD2 4.400 . 6.000 4.098 3.750 4.391 . 0 0 "[ . 1 .]" 1
171 1 24 VAL H 1 25 PRO HG2 4.000 . 6.000 3.599 3.468 3.708 . 0 0 "[ . 1 .]" 1
172 1 24 VAL H 1 55 TRP HD1 3.900 . 5.800 3.092 2.773 3.357 . 0 0 "[ . 1 .]" 1
173 1 24 VAL H 1 44 GLY H 4.500 . 6.000 3.943 3.801 4.252 . 0 0 "[ . 1 .]" 1
174 1 24 VAL H 1 53 TRP H 4.300 . 6.000 3.671 3.594 3.844 . 0 0 "[ . 1 .]" 1
175 1 24 VAL H 1 53 TRP HB2 3.400 . 4.900 2.498 2.140 3.059 . 0 0 "[ . 1 .]" 1
176 1 24 VAL H 1 53 TRP HB3 3.900 . 5.800 3.122 2.703 3.591 . 0 0 "[ . 1 .]" 1
177 1 24 VAL H 1 54 VAL H 4.000 . 6.000 4.222 4.037 4.442 . 0 0 "[ . 1 .]" 1
178 1 24 VAL H 1 54 VAL HA 2.700 . 3.600 3.494 3.213 3.656 0.056 13 0 "[ . 1 .]" 1
179 1 24 VAL H 1 54 VAL MG1 3.600 . 5.200 4.805 4.655 4.937 . 0 0 "[ . 1 .]" 1
180 1 24 VAL H 1 55 TRP H 3.600 . 5.200 3.936 3.778 4.097 . 0 0 "[ . 1 .]" 1
181 1 24 VAL HA 1 24 VAL MG1 2.600 . 3.400 2.395 2.355 2.425 . 0 0 "[ . 1 .]" 1
182 1 24 VAL HA 1 24 VAL MG2 2.600 . 3.500 2.392 2.367 2.460 . 0 0 "[ . 1 .]" 1
183 1 24 VAL HA 1 25 PRO HD2 2.600 . 3.500 2.414 2.367 2.500 . 0 0 "[ . 1 .]" 1
184 1 24 VAL HA 1 25 PRO HD3 2.200 . 2.800 1.855 1.807 1.899 . 0 0 "[ . 1 .]" 1
185 1 24 VAL HA 1 33 PHE QD 4.000 . 6.000 3.770 3.723 3.832 . 0 0 "[ . 1 .]" 1
186 1 24 VAL HA 1 33 PHE QD 3.900 . 5.800 4.228 4.157 4.339 . 0 0 "[ . 1 .]" 1
187 1 24 VAL HB 1 24 VAL MG1 2.100 . 2.700 2.129 2.125 2.133 . 0 0 "[ . 1 .]" 1
188 1 24 VAL HB 1 24 VAL MG2 2.200 . 2.800 2.128 2.123 2.132 . 0 0 "[ . 1 .]" 1
189 1 24 VAL HB 1 53 TRP HD1 3.100 . 4.300 1.969 1.756 2.256 0.144 10 0 "[ . 1 .]" 1
190 1 24 VAL HB 1 53 TRP H 3.800 . 5.600 3.722 3.543 4.109 . 0 0 "[ . 1 .]" 1
191 1 24 VAL HB 1 53 TRP HB2 2.400 . 3.100 2.004 1.738 2.365 . 0 0 "[ . 1 .]" 1
192 1 24 VAL HB 1 53 TRP HB3 2.900 . 3.900 2.168 1.767 2.473 0.133 7 0 "[ . 1 .]" 1
193 1 24 VAL HB 1 53 TRP HD1 4.100 . 6.000 4.175 3.832 4.385 . 0 0 "[ . 1 .]" 1
194 1 24 VAL MG1 1 24 VAL MG2 2.100 . 2.600 2.084 2.076 2.090 . 0 0 "[ . 1 .]" 1
195 1 24 VAL MG1 1 25 PRO HB2 2.800 . 3.800 2.189 1.764 2.814 0.036 13 0 "[ . 1 .]" 1
196 1 24 VAL MG1 1 25 PRO HD2 2.500 . 3.300 2.410 2.278 2.605 . 0 0 "[ . 1 .]" 1
197 1 24 VAL MG1 1 25 PRO HD3 3.600 . 5.300 3.311 3.181 3.406 . 0 0 "[ . 1 .]" 1
198 1 24 VAL MG1 1 25 PRO HD3 3.400 . 4.800 2.963 2.860 3.071 . 0 0 "[ . 1 .]" 1
199 1 24 VAL MG1 1 25 PRO HG2 3.100 . 4.300 3.017 1.812 3.822 0.088 1 0 "[ . 1 .]" 1
200 1 24 VAL MG1 1 25 PRO HG3 4.700 . 6.000 4.759 4.659 4.848 . 0 0 "[ . 1 .]" 1
201 1 24 VAL MG1 1 31 MET H 4.700 . 6.000 3.959 3.531 4.341 . 0 0 "[ . 1 .]" 1
202 1 24 VAL MG1 1 31 MET HA 2.500 . 3.300 2.531 2.119 3.143 . 0 0 "[ . 1 .]" 1
203 1 24 VAL MG1 1 31 MET QG 2.700 . 3.600 2.445 1.798 3.165 0.002 1 0 "[ . 1 .]" 1
204 1 24 VAL MG1 1 33 PHE QD 3.500 . 5.100 3.554 3.463 3.648 . 0 0 "[ . 1 .]" 1
205 1 24 VAL MG1 1 33 PHE QD 4.400 . 6.000 3.539 3.451 3.634 . 0 0 "[ . 1 .]" 1
206 1 24 VAL MG1 1 33 PHE QD 4.200 . 6.000 3.911 3.776 4.025 . 0 0 "[ . 1 .]" 1
207 1 24 VAL MG1 1 33 PHE QD 3.600 . 5.200 3.621 3.521 3.710 . 0 0 "[ . 1 .]" 1
208 1 24 VAL MG1 1 44 GLY H 4.500 . 6.000 4.452 3.559 4.863 . 0 0 "[ . 1 .]" 1
209 1 24 VAL MG1 1 53 TRP HB2 4.500 . 6.000 3.707 3.485 4.038 . 0 0 "[ . 1 .]" 1
210 1 24 VAL MG1 1 53 TRP HB3 3.500 . 5.000 3.345 3.181 3.491 . 0 0 "[ . 1 .]" 1
211 1 24 VAL MG1 1 53 TRP HD1 4.700 . 6.000 5.155 4.789 5.428 . 0 0 "[ . 1 .]" 1
212 1 24 VAL MG1 1 53 TRP HE3 4.300 . 6.000 3.897 3.417 4.227 . 0 0 "[ . 1 .]" 1
213 1 24 VAL MG1 1 55 TRP HD1 3.700 . 5.400 4.263 4.009 4.441 . 0 0 "[ . 1 .]" 1
214 1 24 VAL MG1 1 55 TRP HE1 3.500 . 5.000 2.856 2.488 3.131 . 0 0 "[ . 1 .]" 1
215 1 24 VAL MG1 1 55 TRP HH2 2.900 . 6.000 4.049 3.872 4.187 . 0 0 "[ . 1 .]" 1
216 1 24 VAL MG1 1 55 TRP HZ2 2.600 . 3.500 2.738 2.553 2.917 . 0 0 "[ . 1 .]" 1
217 1 24 VAL MG2 1 25 PRO HD2 4.300 . 6.000 3.898 3.781 4.035 . 0 0 "[ . 1 .]" 1
218 1 24 VAL MG2 1 25 PRO HD3 4.500 . 6.000 3.873 3.814 3.975 . 0 0 "[ . 1 .]" 1
219 1 24 VAL MG2 1 25 PRO HD3 2.900 . 4.000 1.926 1.873 1.991 . 0 0 "[ . 1 .]" 1
220 1 24 VAL MG2 1 25 PRO HG3 6.000 . 6.000 5.796 5.746 5.891 . 0 0 "[ . 1 .]" 1
221 1 24 VAL MG2 1 31 MET HA 4.000 . 6.000 4.554 3.907 5.569 . 0 0 "[ . 1 .]" 1
222 1 24 VAL MG2 1 31 MET HB2 4.800 . 6.000 4.973 4.517 5.245 . 0 0 "[ . 1 .]" 1
223 1 24 VAL MG2 1 44 GLY H 3.600 . 5.300 3.954 3.685 4.271 . 0 0 "[ . 1 .]" 1
224 1 24 VAL MG2 1 44 GLY HA2 3.700 . 5.400 3.819 3.488 4.185 . 0 0 "[ . 1 .]" 1
225 1 24 VAL MG2 1 44 GLY HA3 2.900 . 4.000 2.459 2.127 2.802 . 0 0 "[ . 1 .]" 1
226 1 24 VAL MG2 1 45 VAL H 3.700 . 5.400 3.775 3.402 4.080 . 0 0 "[ . 1 .]" 1
227 1 24 VAL MG2 1 45 VAL H 3.400 . 4.900 2.808 2.575 3.013 . 0 0 "[ . 1 .]" 1
228 1 24 VAL MG2 1 53 TRP H 5.000 . 6.000 4.440 4.325 4.537 . 0 0 "[ . 1 .]" 1
229 1 24 VAL MG2 1 53 TRP HB2 3.300 . 4.700 2.736 2.598 2.925 . 0 0 "[ . 1 .]" 1
230 1 24 VAL MG2 1 53 TRP HB3 2.400 . 3.100 1.931 1.876 1.997 . 0 0 "[ . 1 .]" 1
231 1 24 VAL MG2 1 53 TRP HD1 5.200 . 6.000 4.946 4.836 5.084 . 0 0 "[ . 1 .]" 1
232 1 24 VAL MG2 1 53 TRP HE3 3.400 . 4.900 2.883 2.619 3.121 . 0 0 "[ . 1 .]" 1
233 1 24 VAL MG2 1 54 VAL H 3.300 . 4.700 2.897 2.666 3.103 . 0 0 "[ . 1 .]" 1
234 1 24 VAL MG2 1 54 VAL HA 2.600 . 3.400 3.272 2.988 3.422 0.022 15 0 "[ . 1 .]" 1
235 1 24 VAL MG2 1 54 VAL MG2 4.000 . 6.000 3.956 3.787 4.113 . 0 0 "[ . 1 .]" 1
236 1 24 VAL MG2 1 55 TRP H 3.200 . 4.500 3.334 3.072 3.510 . 0 0 "[ . 1 .]" 1
237 1 24 VAL MG2 1 55 TRP HA 3.900 . 5.800 3.764 3.506 3.976 . 0 0 "[ . 1 .]" 1
238 1 24 VAL MG2 1 55 TRP HB3 4.100 . 6.000 4.496 4.335 4.653 . 0 0 "[ . 1 .]" 1
239 1 24 VAL MG2 1 55 TRP HD1 2.800 . 3.800 2.490 2.359 2.584 . 0 0 "[ . 1 .]" 1
240 1 24 VAL MG2 1 55 TRP HE1 3.000 . 4.100 2.485 2.323 2.666 . 0 0 "[ . 1 .]" 1
241 1 24 VAL MG2 1 55 TRP HZ2 3.500 . 5.100 3.973 3.862 4.171 . 0 0 "[ . 1 .]" 1
242 1 25 PRO HA 1 25 PRO QB 2.300 . 3.000 2.210 2.186 2.222 . 0 0 "[ . 1 .]" 1
243 1 25 PRO HA 1 25 PRO HD2 4.100 . 6.000 3.945 3.923 3.963 . 0 0 "[ . 1 .]" 1
244 1 25 PRO HA 1 25 PRO HD3 3.600 . 5.200 3.745 3.644 3.875 . 0 0 "[ . 1 .]" 1
245 1 25 PRO HA 1 25 PRO HG2 3.900 . 5.800 3.982 3.946 4.044 . 0 0 "[ . 1 .]" 1
246 1 25 PRO QB 1 55 TRP HZ2 4.100 . 6.000 4.203 3.873 4.403 . 0 0 "[ . 1 .]" 1
247 1 25 PRO HB2 1 53 TRP H 3.400 . 4.800 3.929 3.040 4.597 . 0 0 "[ . 1 .]" 1
248 1 25 PRO HD2 1 25 PRO HG2 2.600 . 3.400 2.309 2.298 2.319 . 0 0 "[ . 1 .]" 1
249 1 25 PRO HD2 1 33 PHE QD 3.200 . 4.500 2.798 2.624 2.961 . 0 0 "[ . 1 .]" 1
250 1 25 PRO HD2 1 33 PHE QD 4.000 . 6.000 4.024 3.809 4.324 . 0 0 "[ . 1 .]" 1
251 1 25 PRO HD2 1 65 TYR QD 4.700 . 6.000 4.982 4.505 5.469 . 0 0 "[ . 1 .]" 1
252 1 25 PRO HD2 1 55 TRP HD1 4.000 . 6.000 6.112 6.072 6.172 0.172 9 0 "[ . 1 .]" 1
253 1 25 PRO HD2 1 55 TRP HH2 3.300 . 4.700 2.992 2.744 3.249 . 0 0 "[ . 1 .]" 1
254 1 25 PRO HD2 1 55 TRP HZ2 3.400 . 4.800 3.312 3.079 3.701 . 0 0 "[ . 1 .]" 1
255 1 25 PRO HD3 1 25 PRO HG3 2.500 . 3.300 2.302 2.290 2.314 . 0 0 "[ . 1 .]" 1
256 1 25 PRO HD3 1 33 PHE QD 3.700 . 5.400 3.271 3.172 3.392 . 0 0 "[ . 1 .]" 1
257 1 25 PRO HD3 1 33 PHE QD 3.300 . 4.700 3.824 3.571 4.057 . 0 0 "[ . 1 .]" 1
258 1 25 PRO HD3 1 33 PHE QD 3.800 . 5.600 3.551 3.302 3.837 . 0 0 "[ . 1 .]" 1
259 1 25 PRO HD3 1 55 TRP HZ2 3.900 . 5.800 4.548 4.207 4.915 . 0 0 "[ . 1 .]" 1
260 1 25 PRO HD3 1 55 TRP HD1 3.900 . 6.000 6.043 6.012 6.070 0.070 1 0 "[ . 1 .]" 1
261 1 25 PRO HD3 1 55 TRP HZ2 4.300 . 6.000 4.608 4.240 5.020 . 0 0 "[ . 1 .]" 1
262 1 25 PRO HG2 1 44 GLY H 4.200 . 6.000 5.777 5.263 6.028 0.028 8 0 "[ . 1 .]" 1
263 1 25 PRO HG2 1 33 PHE QD 3.300 . 4.700 3.052 2.757 3.373 . 0 0 "[ . 1 .]" 1
264 1 25 PRO HG3 1 28 SER HB2 2.200 . 6.000 5.266 4.006 6.217 0.217 10 0 "[ . 1 .]" 1
265 1 27 THR HA 1 27 THR HB 2.100 . 2.700 2.536 2.512 2.552 . 0 0 "[ . 1 .]" 1
266 1 27 THR HA 1 27 THR MG 2.200 . 2.800 2.282 2.257 2.313 . 0 0 "[ . 1 .]" 1
267 1 27 THR HA 1 28 SER H 4.000 . 6.000 3.092 2.309 3.557 . 0 0 "[ . 1 .]" 1
268 1 27 THR HA 1 29 GLN H 3.300 . 4.700 3.473 2.935 3.652 . 0 0 "[ . 1 .]" 1
269 1 27 THR HB 1 27 THR MG 2.100 . 2.600 2.135 2.129 2.139 . 0 0 "[ . 1 .]" 1
270 1 30 ASP HA 1 30 ASP HB2 2.600 . 3.400 2.709 2.439 3.029 . 0 0 "[ . 1 .]" 1
271 1 30 ASP HA 1 30 ASP HB3 2.400 . 3.100 2.669 2.384 3.034 . 0 0 "[ . 1 .]" 1
272 1 30 ASP HA 1 31 MET H 3.600 . 5.200 2.740 2.146 3.398 . 0 0 "[ . 1 .]" 1
273 1 31 MET H 1 31 MET HA 2.900 . 4.000 2.479 2.256 2.956 . 0 0 "[ . 1 .]" 1
274 1 31 MET H 1 31 MET HA 3.000 . 4.100 2.327 2.174 2.691 . 0 0 "[ . 1 .]" 1
275 1 31 MET H 1 31 MET HB2 3.500 . 5.000 3.172 2.444 3.588 . 0 0 "[ . 1 .]" 1
276 1 31 MET H 1 31 MET HB2 3.800 . 5.600 3.037 2.425 3.363 . 0 0 "[ . 1 .]" 1
277 1 31 MET H 1 31 MET HB3 4.500 . 6.000 3.672 3.465 3.774 . 0 0 "[ . 1 .]" 1
278 1 31 MET H 1 31 MET QG 3.500 . 5.100 3.015 2.187 3.514 . 0 0 "[ . 1 .]" 1
279 1 31 MET H 1 31 MET HG3 3.600 . 5.200 3.096 2.209 3.582 . 0 0 "[ . 1 .]" 1
280 1 31 MET HA 1 31 MET HB2 3.000 . 4.100 3.020 3.010 3.027 . 0 0 "[ . 1 .]" 1
281 1 31 MET HA 1 31 MET HB3 2.600 . 3.400 2.505 2.440 2.547 . 0 0 "[ . 1 .]" 1
282 1 31 MET HA 1 31 MET HG2 3.100 . 4.300 3.082 2.443 3.707 . 0 0 "[ . 1 .]" 1
283 1 31 MET HA 1 31 MET QG 2.600 . 3.400 2.423 2.344 2.534 . 0 0 "[ . 1 .]" 1
284 1 31 MET HA 1 31 MET HG3 2.700 . 3.600 2.756 2.418 3.146 . 0 0 "[ . 1 .]" 1
285 1 31 MET HA 1 32 ALA H 2.900 . 4.000 2.929 2.780 3.095 . 0 0 "[ . 1 .]" 1
286 1 31 MET HA 1 32 ALA HA 4.000 . 6.000 4.262 4.188 4.322 . 0 0 "[ . 1 .]" 1
287 1 31 MET HA 1 33 PHE QD 4.200 . 6.000 4.691 4.275 4.993 . 0 0 "[ . 1 .]" 1
288 1 31 MET HA 1 55 TRP HE1 4.000 . 6.000 4.494 3.683 5.429 . 0 0 "[ . 1 .]" 1
289 1 31 MET HA 1 55 TRP HZ2 2.700 . 3.600 3.337 2.806 3.634 0.034 14 0 "[ . 1 .]" 1
290 1 31 MET HB2 1 44 GLY H 3.400 . 4.800 4.473 3.607 4.876 0.076 11 0 "[ . 1 .]" 1
291 1 31 MET HB2 1 44 GLY H 3.600 . 5.200 4.422 3.595 4.763 . 0 0 "[ . 1 .]" 1
292 1 31 MET HB2 1 44 GLY HA3 4.000 . 6.000 5.860 5.201 6.162 0.162 11 0 "[ . 1 .]" 1
293 1 31 MET HB2 1 53 TRP HE3 4.000 . 6.000 5.435 4.874 5.893 . 0 0 "[ . 1 .]" 1
294 1 31 MET HB2 1 53 TRP HE3 2.800 . 3.800 2.631 2.063 2.879 . 0 0 "[ . 1 .]" 1
295 1 31 MET HB2 1 55 TRP HE1 4.200 . 6.000 5.092 4.515 5.375 . 0 0 "[ . 1 .]" 1
296 1 31 MET HB2 1 55 TRP HZ2 4.400 . 6.000 5.335 4.982 5.614 . 0 0 "[ . 1 .]" 1
297 1 31 MET HB3 1 31 MET QG 2.500 . 3.300 2.248 2.155 2.361 . 0 0 "[ . 1 .]" 1
298 1 31 MET HB3 1 44 GLY H 3.100 . 6.000 3.947 3.042 4.636 . 0 0 "[ . 1 .]" 1
299 1 31 MET HB3 1 55 TRP HE1 3.600 . 5.200 3.859 3.103 4.508 . 0 0 "[ . 1 .]" 1
300 1 31 MET ME 1 31 MET QG 2.400 . 3.100 2.322 2.225 2.457 . 0 0 "[ . 1 .]" 1
301 1 31 MET HG3 1 55 TRP HZ2 4.500 . 6.000 5.875 4.938 6.531 0.531 14 2 "[ . - +.]" 1
302 1 32 ALA H 1 32 ALA HA 2.900 . 3.900 2.915 2.910 2.925 . 0 0 "[ . 1 .]" 1
303 1 32 ALA H 1 32 ALA MB 2.400 . 3.100 2.642 2.615 2.669 . 0 0 "[ . 1 .]" 1
304 1 32 ALA H 1 33 PHE H 3.900 . 5.800 4.366 4.301 4.408 . 0 0 "[ . 1 .]" 1
305 1 32 ALA H 1 55 TRP HE1 4.200 . 6.000 5.171 4.716 5.764 . 0 0 "[ . 1 .]" 1
306 1 32 ALA H 1 55 TRP HH2 4.200 . 6.000 4.877 4.303 5.405 . 0 0 "[ . 1 .]" 1
307 1 32 ALA H 1 55 TRP HZ2 3.000 . 4.100 3.484 3.121 3.925 . 0 0 "[ . 1 .]" 1
308 1 32 ALA HA 1 32 ALA MB 2.100 . 2.700 2.131 2.124 2.135 . 0 0 "[ . 1 .]" 1
309 1 32 ALA HA 1 33 PHE H 2.200 . 2.800 2.298 2.191 2.407 . 0 0 "[ . 1 .]" 1
310 1 32 ALA HA 1 33 PHE QD 3.700 . 5.400 3.695 3.489 3.902 . 0 0 "[ . 1 .]" 1
311 1 32 ALA HA 1 41 THR MG 4.000 . 6.000 4.593 4.013 5.308 . 0 0 "[ . 1 .]" 1
312 1 32 ALA HA 1 42 VAL H 4.400 . 6.000 4.958 4.629 5.302 . 0 0 "[ . 1 .]" 1
313 1 32 ALA HA 1 42 VAL HB 4.100 . 6.000 4.257 3.987 4.431 . 0 0 "[ . 1 .]" 1
314 1 32 ALA HA 1 42 VAL MG1 4.400 . 6.000 4.400 4.189 4.553 . 0 0 "[ . 1 .]" 1
315 1 32 ALA HA 1 43 THR HA 2.600 . 3.500 2.832 2.387 3.072 . 0 0 "[ . 1 .]" 1
316 1 32 ALA HA 1 43 THR HB 4.000 . 6.000 5.173 4.702 5.415 . 0 0 "[ . 1 .]" 1
317 1 32 ALA HA 1 43 THR MG 3.700 . 5.400 3.871 3.335 4.243 . 0 0 "[ . 1 .]" 1
318 1 32 ALA HA 1 44 GLY H 3.700 . 5.400 4.228 3.994 4.498 . 0 0 "[ . 1 .]" 1
319 1 32 ALA HA 1 55 TRP HE1 2.700 . 3.600 3.418 3.008 3.669 0.069 11 0 "[ . 1 .]" 1
320 1 32 ALA HA 1 55 TRP HH2 4.100 . 6.000 4.646 4.160 4.972 . 0 0 "[ . 1 .]" 1
321 1 32 ALA HA 1 55 TRP HZ2 2.800 . 3.800 2.789 2.453 3.198 . 0 0 "[ . 1 .]" 1
322 1 32 ALA MB 1 33 PHE H 2.700 . 3.600 2.601 2.455 2.797 . 0 0 "[ . 1 .]" 1
323 1 32 ALA MB 1 33 PHE QD 2.200 . 2.800 2.050 1.879 2.296 . 0 0 "[ . 1 .]" 1
324 1 32 ALA MB 1 33 PHE QE 2.600 . 3.400 2.677 2.384 3.158 . 0 0 "[ . 1 .]" 1
325 1 32 ALA MB 1 42 VAL H 3.600 . 5.200 3.817 3.529 4.338 . 0 0 "[ . 1 .]" 1
326 1 32 ALA MB 1 42 VAL HB 4.300 . 6.000 4.066 3.933 4.229 . 0 0 "[ . 1 .]" 1
327 1 32 ALA MB 1 42 VAL MG2 4.100 . 6.000 4.166 3.975 4.351 . 0 0 "[ . 1 .]" 1
328 1 32 ALA MB 1 43 THR HA 2.900 . 3.900 2.535 2.298 2.874 . 0 0 "[ . 1 .]" 1
329 1 32 ALA MB 1 44 GLY H 3.900 . 5.800 3.953 3.579 4.344 . 0 0 "[ . 1 .]" 1
330 1 32 ALA MB 1 44 GLY H 2.600 . 3.500 2.355 2.317 2.388 . 0 0 "[ . 1 .]" 1
331 1 32 ALA MB 1 55 TRP HE1 3.600 . 5.200 4.501 4.195 4.795 . 0 0 "[ . 1 .]" 1
332 1 32 ALA MB 1 55 TRP HZ2 4.100 . 6.000 4.250 4.025 4.560 . 0 0 "[ . 1 .]" 1
333 1 33 PHE H 1 33 PHE QD 3.100 . 4.300 2.801 2.572 3.019 . 0 0 "[ . 1 .]" 1
334 1 33 PHE H 1 33 PHE QD 3.400 . 4.800 2.771 2.548 2.989 . 0 0 "[ . 1 .]" 1
335 1 33 PHE H 1 33 PHE QE 4.400 . 6.000 4.421 4.283 4.605 . 0 0 "[ . 1 .]" 1
336 1 33 PHE H 1 33 PHE QE 4.500 . 6.000 4.277 4.171 4.446 . 0 0 "[ . 1 .]" 1
337 1 33 PHE H 1 34 LYS H 2.700 . 3.600 2.645 2.588 2.714 . 0 0 "[ . 1 .]" 1
338 1 33 PHE H 1 34 LYS H 3.400 . 4.900 2.641 2.583 2.708 . 0 0 "[ . 1 .]" 1
339 1 33 PHE H 1 41 THR MG 3.900 . 5.800 3.461 3.020 3.701 . 0 0 "[ . 1 .]" 1
340 1 33 PHE H 1 35 CYS H 4.100 . 6.000 4.206 4.123 4.300 . 0 0 "[ . 1 .]" 1
341 1 33 PHE H 1 43 THR MG 3.100 . 4.300 2.707 2.544 2.800 . 0 0 "[ . 1 .]" 1
342 1 33 PHE H 1 41 THR MG 3.200 . 4.400 3.590 3.075 3.879 . 0 0 "[ . 1 .]" 1
343 1 33 PHE H 1 42 VAL H 2.700 . 3.600 3.200 2.943 3.387 . 0 0 "[ . 1 .]" 1
344 1 33 PHE H 1 42 VAL HB 3.000 . 4.100 2.736 2.519 2.987 . 0 0 "[ . 1 .]" 1
345 1 33 PHE H 1 42 VAL HB 3.100 . 4.300 2.702 2.501 2.928 . 0 0 "[ . 1 .]" 1
346 1 33 PHE H 1 42 VAL MG2 3.300 . 4.600 3.655 3.534 3.735 . 0 0 "[ . 1 .]" 1
347 1 33 PHE H 1 43 THR HA 3.000 . 4.100 2.875 2.846 2.896 . 0 0 "[ . 1 .]" 1
348 1 33 PHE H 1 55 TRP HE1 3.600 . 5.200 4.683 4.538 4.935 . 0 0 "[ . 1 .]" 1
349 1 33 PHE H 1 55 TRP HE1 4.000 . 6.000 5.023 4.777 5.405 . 0 0 "[ . 1 .]" 1
350 1 33 PHE H 1 55 TRP HZ2 4.300 . 6.000 4.017 3.630 4.459 . 0 0 "[ . 1 .]" 1
351 1 33 PHE HA 1 34 LYS H 2.400 . 3.100 2.394 2.233 2.519 . 0 0 "[ . 1 .]" 1
352 1 33 PHE QB 1 34 LYS H 3.300 . 4.700 2.571 2.395 2.713 . 0 0 "[ . 1 .]" 1
353 1 33 PHE QD 1 43 THR MG 4.400 . 6.000 5.141 5.040 5.223 . 0 0 "[ . 1 .]" 1
354 1 33 PHE QD 1 34 LYS H 3.800 . 5.600 3.119 2.784 3.410 . 0 0 "[ . 1 .]" 1
355 1 33 PHE QD 1 35 CYS H 3.800 . 5.600 3.673 3.447 3.854 . 0 0 "[ . 1 .]" 1
356 1 33 PHE QD 1 35 CYS HB2 3.500 . 5.000 4.036 3.798 4.522 . 0 0 "[ . 1 .]" 1
357 1 33 PHE QD 1 36 PRO HB3 3.300 . 6.000 5.244 5.115 5.323 . 0 0 "[ . 1 .]" 1
358 1 33 PHE QD 1 42 VAL HB 3.100 . 4.300 3.027 2.960 3.174 . 0 0 "[ . 1 .]" 1
359 1 33 PHE QD 1 42 VAL MG1 2.600 . 3.400 2.735 2.519 2.853 . 0 0 "[ . 1 .]" 1
360 1 33 PHE QD 1 42 VAL MG2 2.800 . 3.800 2.654 2.526 2.776 . 0 0 "[ . 1 .]" 1
361 1 33 PHE QD 1 61 VAL H 3.900 . 5.800 5.486 5.313 5.574 . 0 0 "[ . 1 .]" 1
362 1 33 PHE QD 1 65 TYR QB 3.000 . 4.100 2.739 2.605 2.884 . 0 0 "[ . 1 .]" 1
363 1 33 PHE QD 1 65 TYR H 4.200 . 6.000 3.899 3.656 4.058 . 0 0 "[ . 1 .]" 1
364 1 33 PHE QD 1 42 VAL HB 3.100 . 4.300 3.154 3.038 3.312 . 0 0 "[ . 1 .]" 1
365 1 33 PHE QD 1 42 VAL MG1 2.800 . 3.800 3.656 3.494 3.829 0.029 13 0 "[ . 1 .]" 1
366 1 33 PHE QD 1 42 VAL MG2 3.000 . 4.100 3.552 3.375 3.745 . 0 0 "[ . 1 .]" 1
367 1 33 PHE QD 1 65 TYR HA 3.900 . 5.800 4.255 4.183 4.337 . 0 0 "[ . 1 .]" 1
368 1 33 PHE QD 1 65 TYR QB 3.400 . 4.900 2.926 2.817 3.108 . 0 0 "[ . 1 .]" 1
369 1 33 PHE QD 1 66 PHE HA 2.000 . 6.000 4.424 3.959 5.015 . 0 0 "[ . 1 .]" 1
370 1 33 PHE QE 1 37 ILE MD 4.000 . 6.000 4.834 4.335 5.174 . 0 0 "[ . 1 .]" 1
371 1 33 PHE QE 1 34 LYS H 4.400 . 6.000 4.181 3.934 4.394 . 0 0 "[ . 1 .]" 1
372 1 33 PHE QE 1 35 CYS H 3.800 . 5.600 3.993 3.783 4.250 . 0 0 "[ . 1 .]" 1
373 1 33 PHE QE 1 35 CYS H 3.900 . 5.800 3.948 3.751 4.182 . 0 0 "[ . 1 .]" 1
374 1 33 PHE QE 1 35 CYS HB2 3.300 . 4.600 3.415 3.025 3.984 . 0 0 "[ . 1 .]" 1
375 1 33 PHE QE 1 35 CYS HB3 4.600 . 6.000 4.894 4.584 5.383 . 0 0 "[ . 1 .]" 1
376 1 33 PHE QE 1 36 PRO HD2 4.300 . 6.000 4.064 3.539 4.592 . 0 0 "[ . 1 .]" 1
377 1 33 PHE QE 1 36 PRO HD2 3.400 . 4.800 3.926 3.509 4.370 . 0 0 "[ . 1 .]" 1
378 1 33 PHE QE 1 36 PRO HD3 3.900 . 5.800 3.548 2.970 4.169 . 0 0 "[ . 1 .]" 1
379 1 33 PHE QE 1 65 TYR QB 3.200 . 4.500 3.256 2.898 3.649 . 0 0 "[ . 1 .]" 1
380 1 33 PHE QE 1 42 VAL H 4.800 . 6.000 5.048 4.734 5.284 . 0 0 "[ . 1 .]" 1
381 1 33 PHE QE 1 42 VAL HB 2.900 . 3.900 3.133 2.864 3.400 . 0 0 "[ . 1 .]" 1
382 1 33 PHE QE 1 42 VAL MG1 2.500 . 3.300 2.477 2.214 2.610 . 0 0 "[ . 1 .]" 1
383 1 33 PHE QE 1 42 VAL MG1 2.500 . 3.300 2.137 1.974 2.333 . 0 0 "[ . 1 .]" 1
384 1 33 PHE QE 1 42 VAL MG2 2.900 . 3.900 2.833 2.605 3.044 . 0 0 "[ . 1 .]" 1
385 1 33 PHE QE 1 55 TRP HA 3.900 . 6.000 5.374 5.058 5.881 . 0 0 "[ . 1 .]" 1
386 1 33 PHE QE 1 55 TRP HB2 3.800 . 5.600 4.146 4.061 4.252 . 0 0 "[ . 1 .]" 1
387 1 33 PHE QE 1 55 TRP HB3 3.100 . 6.000 3.585 3.208 4.186 . 0 0 "[ . 1 .]" 1
388 1 33 PHE QE 1 58 THR HB 4.300 . 6.000 4.901 4.533 5.501 . 0 0 "[ . 1 .]" 1
389 1 33 PHE QE 1 58 THR MG 4.000 . 6.000 2.681 2.386 3.169 . 0 0 "[ . 1 .]" 1
390 1 33 PHE QE 1 65 TYR H 3.800 . 5.600 3.886 3.258 4.264 . 0 0 "[ . 1 .]" 1
391 1 33 PHE QE 1 65 TYR QB 3.200 . 4.500 3.288 2.930 3.679 . 0 0 "[ . 1 .]" 1
392 1 33 PHE QE 1 65 TYR QD 4.000 . 6.000 4.827 4.403 5.273 . 0 0 "[ . 1 .]" 1
393 1 33 PHE QE 1 66 PHE HA 2.900 . 3.900 2.410 2.119 2.834 . 0 0 "[ . 1 .]" 1
394 1 33 PHE QE 1 67 HIS H 3.800 . 5.600 3.469 2.850 4.098 . 0 0 "[ . 1 .]" 1
395 1 33 PHE HZ 1 58 THR HA 3.900 . 5.800 4.227 3.900 4.759 . 0 0 "[ . 1 .]" 1
396 1 33 PHE HZ 1 61 VAL H 5.000 . 6.000 5.643 5.415 5.759 . 0 0 "[ . 1 .]" 1
397 1 33 PHE HZ 1 66 PHE HA 2.400 . 3.100 3.152 3.113 3.189 0.089 13 0 "[ . 1 .]" 1
398 1 33 PHE HZ 1 67 HIS HA 3.400 . 4.800 3.915 3.375 4.571 . 0 0 "[ . 1 .]" 1
399 1 34 LYS H 1 34 LYS QB 2.200 . 2.800 2.371 2.270 2.474 . 0 0 "[ . 1 .]" 1
400 1 34 LYS H 1 34 LYS HE2 3.200 . 4.500 2.920 2.796 3.144 . 0 0 "[ . 1 .]" 1
401 1 34 LYS H 1 34 LYS QG 3.800 . 5.600 4.047 3.985 4.097 . 0 0 "[ . 1 .]" 1
402 1 34 LYS H 1 34 LYS QG 3.000 . 4.100 2.700 2.419 2.976 . 0 0 "[ . 1 .]" 1
403 1 34 LYS H 1 34 LYS QG 2.700 . 3.600 2.106 2.008 2.208 . 0 0 "[ . 1 .]" 1
404 1 34 LYS H 1 41 THR H 3.100 . 4.300 4.395 4.283 4.456 0.156 12 0 "[ . 1 .]" 1
405 1 34 LYS H 1 35 CYS H 3.500 . 5.000 3.489 3.218 3.692 . 0 0 "[ . 1 .]" 1
406 1 34 LYS H 1 41 THR HA 3.900 . 5.800 3.066 2.765 3.360 . 0 0 "[ . 1 .]" 1
407 1 34 LYS H 1 67 HIS HE1 3.700 . 5.400 4.978 4.654 5.157 . 0 0 "[ . 1 .]" 1
408 1 34 LYS H 1 42 VAL H 4.100 . 6.000 4.606 4.483 4.735 . 0 0 "[ . 1 .]" 1
409 1 34 LYS HA 1 34 LYS QG 2.800 . 3.800 2.609 2.337 2.946 . 0 0 "[ . 1 .]" 1
410 1 34 LYS HA 1 35 CYS H 2.100 . 2.600 2.138 2.089 2.203 . 0 0 "[ . 1 .]" 1
411 1 34 LYS HA 1 35 CYS H 2.100 . 2.600 2.133 2.084 2.196 . 0 0 "[ . 1 .]" 1
412 1 34 LYS HA 1 41 THR HA 1.900 . 2.300 2.126 1.818 2.408 0.108 12 0 "[ . 1 .]" 1
413 1 34 LYS HA 1 42 VAL MG2 3.700 . 5.500 3.274 2.721 3.661 . 0 0 "[ . 1 .]" 1
414 1 34 LYS QB 1 35 CYS H 3.600 . 5.300 3.786 3.633 3.937 . 0 0 "[ . 1 .]" 1
415 1 34 LYS QB 1 41 THR HA 3.300 . 4.700 3.542 3.143 3.960 . 0 0 "[ . 1 .]" 1
416 1 34 LYS QD 1 41 THR H 3.200 . 4.500 3.943 3.077 4.686 0.186 8 0 "[ . 1 .]" 1
417 1 34 LYS HE2 1 41 THR H 4.100 . 6.000 4.614 4.050 5.381 . 0 0 "[ . 1 .]" 1
418 1 34 LYS QG 1 35 CYS H 2.800 . 3.800 2.890 2.485 3.312 . 0 0 "[ . 1 .]" 1
419 1 34 LYS HG3 1 66 PHE QD 2.700 . 6.000 3.435 2.718 4.159 . 0 0 "[ . 1 .]" 1
420 1 34 LYS HG3 1 41 THR HA 3.100 . 4.300 3.542 2.445 4.406 0.106 4 0 "[ . 1 .]" 1
421 1 35 CYS H 1 36 PRO HD3 2.700 . 3.600 2.857 2.831 2.882 . 0 0 "[ . 1 .]" 1
422 1 35 CYS H 1 37 ILE H 4.000 . 6.000 3.986 3.915 4.041 . 0 0 "[ . 1 .]" 1
423 1 35 CYS H 1 35 CYS HB2 2.800 . 3.800 2.593 2.486 2.747 . 0 0 "[ . 1 .]" 1
424 1 35 CYS H 1 35 CYS HB2 2.800 . 3.800 2.559 2.459 2.729 . 0 0 "[ . 1 .]" 1
425 1 35 CYS H 1 35 CYS HB3 2.400 . 3.100 2.408 2.249 2.532 . 0 0 "[ . 1 .]" 1
426 1 35 CYS H 1 35 CYS HB3 2.700 . 3.600 2.050 1.898 2.304 . 0 0 "[ . 1 .]" 1
427 1 35 CYS H 1 35 CYS HB3 2.400 . 3.100 2.399 2.241 2.524 . 0 0 "[ . 1 .]" 1
428 1 35 CYS H 1 37 ILE H 3.700 . 5.400 3.872 3.815 3.928 . 0 0 "[ . 1 .]" 1
429 1 35 CYS H 1 37 ILE HB 3.800 . 5.600 4.128 4.059 4.223 . 0 0 "[ . 1 .]" 1
430 1 35 CYS H 1 38 CYS H 4.700 . 6.000 5.645 5.372 6.038 0.038 2 0 "[ . 1 .]" 1
431 1 35 CYS H 1 38 CYS H 3.700 . 5.400 3.593 3.384 4.003 . 0 0 "[ . 1 .]" 1
432 1 35 CYS H 1 38 CYS HB2 3.400 . 4.800 4.037 3.667 4.295 . 0 0 "[ . 1 .]" 1
433 1 35 CYS H 1 39 LYS HA 2.800 . 3.800 2.898 2.807 3.068 . 0 0 "[ . 1 .]" 1
434 1 35 CYS H 1 66 PHE QE 4.500 . 6.000 4.403 4.256 4.548 . 0 0 "[ . 1 .]" 1
435 1 35 CYS H 1 67 HIS HE1 3.400 . 4.900 4.430 4.280 4.577 . 0 0 "[ . 1 .]" 1
436 1 35 CYS H 1 40 GLU HB2 3.700 . 5.400 3.465 3.129 3.726 . 0 0 "[ . 1 .]" 1
437 1 35 CYS H 1 41 THR HA 3.800 . 5.600 3.107 2.793 3.432 . 0 0 "[ . 1 .]" 1
438 1 35 CYS H 1 41 THR HA 3.200 . 4.500 3.082 2.782 3.375 . 0 0 "[ . 1 .]" 1
439 1 35 CYS H 1 42 VAL H 3.800 . 5.600 3.405 3.160 3.843 . 0 0 "[ . 1 .]" 1
440 1 35 CYS H 1 42 VAL HB 4.500 . 6.000 3.968 3.744 4.135 . 0 0 "[ . 1 .]" 1
441 1 35 CYS H 1 42 VAL MG1 4.000 . 6.000 4.917 4.688 5.082 . 0 0 "[ . 1 .]" 1
442 1 35 CYS H 1 42 VAL MG2 3.300 . 4.600 2.524 2.122 2.811 . 0 0 "[ . 1 .]" 1
443 1 35 CYS H 1 66 PHE QE 3.100 . 6.000 4.859 4.686 5.053 . 0 0 "[ . 1 .]" 1
444 1 35 CYS HA 1 35 CYS HB2 2.700 . 3.600 2.445 2.371 2.488 . 0 0 "[ . 1 .]" 1
445 1 35 CYS HA 1 36 PRO HD2 2.800 . 3.800 2.494 2.071 2.745 . 0 0 "[ . 1 .]" 1
446 1 35 CYS HA 1 36 PRO HD3 2.500 . 3.300 1.961 1.768 2.395 . 0 0 "[ . 1 .]" 1
447 1 35 CYS HB2 1 37 ILE H 3.500 . 5.100 4.704 4.487 4.911 . 0 0 "[ . 1 .]" 1
448 1 35 CYS HB2 1 39 LYS H 4.200 . 6.000 5.071 4.420 5.436 . 0 0 "[ . 1 .]" 1
449 1 35 CYS HB2 1 40 GLU H 3.500 . 5.000 3.965 3.650 4.682 . 0 0 "[ . 1 .]" 1
450 1 35 CYS HB2 1 42 VAL MG2 2.800 . 3.800 2.246 1.952 2.528 . 0 0 "[ . 1 .]" 1
451 1 35 CYS HB2 1 66 PHE QE 3.600 . 5.300 3.395 3.019 3.636 . 0 0 "[ . 1 .]" 1
452 1 35 CYS HB2 1 67 HIS H 3.300 . 4.600 4.085 3.672 4.499 . 0 0 "[ . 1 .]" 1
453 1 35 CYS HB3 1 37 ILE H 4.000 . 6.000 4.184 3.991 4.326 . 0 0 "[ . 1 .]" 1
454 1 35 CYS HB3 1 38 CYS H 3.400 . 4.800 3.668 3.311 3.985 . 0 0 "[ . 1 .]" 1
455 1 35 CYS HB3 1 39 LYS H 3.300 . 4.700 3.514 2.881 3.998 . 0 0 "[ . 1 .]" 1
456 1 35 CYS HB3 1 40 GLU H 3.000 . 4.100 2.272 1.985 2.932 . 0 0 "[ . 1 .]" 1
457 1 35 CYS HB3 1 42 VAL MG2 3.600 . 5.200 3.203 2.725 3.505 . 0 0 "[ . 1 .]" 1
458 1 35 CYS HB3 1 67 HIS HE1 3.500 . 5.000 3.922 3.561 4.299 . 0 0 "[ . 1 .]" 1
459 1 36 PRO HB2 1 36 PRO HD2 4.000 . 6.000 3.277 2.855 4.052 . 0 0 "[ . 1 .]" 1
460 1 36 PRO HB2 1 36 PRO HG2 2.500 . 3.300 2.316 2.293 2.337 . 0 0 "[ . 1 .]" 1
461 1 36 PRO HB2 1 37 ILE H 3.700 . 5.400 2.836 2.603 2.996 . 0 0 "[ . 1 .]" 1
462 1 36 PRO HB2 1 37 ILE H 3.600 . 5.300 2.877 2.626 3.049 . 0 0 "[ . 1 .]" 1
463 1 36 PRO HB2 1 66 PHE QE 4.700 . 6.000 2.880 2.177 3.489 . 0 0 "[ . 1 .]" 1
464 1 36 PRO HB2 1 66 PHE QD 4.500 . 6.000 4.537 3.703 5.517 . 0 0 "[ . 1 .]" 1
465 1 36 PRO HB2 1 66 PHE QE 4.600 . 6.000 3.573 2.893 4.593 . 0 0 "[ . 1 .]" 1
466 1 36 PRO HB2 1 66 PHE HZ 4.900 . 6.000 5.571 5.092 6.112 0.112 10 0 "[ . 1 .]" 1
467 1 36 PRO HB3 1 36 PRO HD3 3.800 . 5.600 3.717 2.948 4.080 . 0 0 "[ . 1 .]" 1
468 1 36 PRO HB3 1 36 PRO HG2 3.000 . 4.200 2.777 2.650 2.996 . 0 0 "[ . 1 .]" 1
469 1 36 PRO HB3 1 36 PRO HG3 2.500 . 3.300 2.311 2.279 2.330 . 0 0 "[ . 1 .]" 1
470 1 36 PRO HB3 1 37 ILE H 2.600 . 3.500 2.483 2.419 2.556 . 0 0 "[ . 1 .]" 1
471 1 36 PRO HB3 1 37 ILE H 2.500 . 3.300 2.158 1.962 3.107 . 0 0 "[ . 1 .]" 1
472 1 36 PRO HB3 1 66 PHE QD 4.900 . 6.000 5.327 4.939 6.027 0.027 7 0 "[ . 1 .]" 1
473 1 36 PRO HB3 1 66 PHE QE 4.500 . 6.000 4.137 3.939 4.483 . 0 0 "[ . 1 .]" 1
474 1 36 PRO HB3 1 66 PHE HZ 4.400 . 6.000 6.024 5.891 6.077 0.077 1 0 "[ . 1 .]" 1
475 1 36 PRO HD2 1 36 PRO HG2 2.700 . 3.600 2.324 2.278 2.348 . 0 0 "[ . 1 .]" 1
476 1 36 PRO HD2 1 37 ILE MD 3.900 . 5.800 3.733 3.369 4.065 . 0 0 "[ . 1 .]" 1
477 1 36 PRO HD2 1 66 PHE HA 3.400 . 4.800 4.046 3.661 4.761 . 0 0 "[ . 1 .]" 1
478 1 36 PRO HD2 1 66 PHE QD 2.600 . 3.400 2.238 1.946 2.587 . 0 0 "[ . 1 .]" 1
479 1 36 PRO HD2 1 66 PHE QE 4.300 . 6.000 3.118 2.367 3.742 . 0 0 "[ . 1 .]" 1
480 1 36 PRO HD3 1 36 PRO HG3 2.600 . 3.400 2.320 2.272 2.340 . 0 0 "[ . 1 .]" 1
481 1 36 PRO HD3 1 37 ILE MG 3.600 . 5.200 3.833 3.608 4.150 . 0 0 "[ . 1 .]" 1
482 1 36 PRO HD3 1 66 PHE HA 3.300 . 4.700 4.362 3.842 4.842 0.142 11 0 "[ . 1 .]" 1
483 1 36 PRO HD3 1 66 PHE QD 3.700 . 5.400 3.281 2.822 3.535 . 0 0 "[ . 1 .]" 1
484 1 36 PRO HG2 1 37 ILE H 4.000 . 6.000 3.713 2.551 4.341 . 0 0 "[ . 1 .]" 1
485 1 36 PRO HG2 1 66 PHE QD 4.000 . 6.000 3.221 2.647 3.885 . 0 0 "[ . 1 .]" 1
486 1 36 PRO HG2 1 66 PHE QE 3.200 . 4.500 2.247 1.844 3.267 0.056 1 0 "[ . 1 .]" 1
487 1 36 PRO HG3 1 66 PHE QD 3.100 . 4.300 2.638 2.478 2.757 . 0 0 "[ . 1 .]" 1
488 1 36 PRO HG3 1 66 PHE QD 3.800 . 5.600 4.065 2.837 4.958 . 0 0 "[ . 1 .]" 1
489 1 36 PRO HG3 1 66 PHE QE 3.000 . 4.200 3.030 1.819 3.734 . 0 0 "[ . 1 .]" 1
490 1 36 PRO HG3 1 66 PHE QE 3.000 . 4.100 2.995 1.817 3.677 0.083 10 0 "[ . 1 .]" 1
491 1 37 ILE H 1 37 ILE HA 2.700 . 3.600 2.858 2.827 2.905 . 0 0 "[ . 1 .]" 1
492 1 37 ILE H 1 37 ILE HB 2.600 . 3.400 2.552 2.476 2.637 . 0 0 "[ . 1 .]" 1
493 1 37 ILE H 1 37 ILE MD 3.600 . 5.200 3.255 3.082 3.365 . 0 0 "[ . 1 .]" 1
494 1 37 ILE H 1 37 ILE HG12 3.400 . 4.800 3.249 2.110 3.605 . 0 0 "[ . 1 .]" 1
495 1 37 ILE H 1 37 ILE HG13 2.600 . 3.400 2.208 1.975 3.569 0.169 6 0 "[ . 1 .]" 1
496 1 37 ILE H 1 38 CYS H 2.500 . 3.300 2.571 2.415 2.730 . 0 0 "[ . 1 .]" 1
497 1 37 ILE H 1 39 LYS H 3.300 . 4.600 3.507 3.160 3.761 . 0 0 "[ . 1 .]" 1
498 1 37 ILE H 1 39 LYS H 3.600 . 5.200 3.496 3.155 3.744 . 0 0 "[ . 1 .]" 1
499 1 37 ILE H 1 66 PHE QE 3.300 . 6.000 4.608 4.042 5.055 . 0 0 "[ . 1 .]" 1
500 1 37 ILE H 1 66 PHE QE 3.100 . 6.000 4.855 4.128 5.438 . 0 0 "[ . 1 .]" 1
501 1 37 ILE H 1 73 GLU QG 4.200 . 6.000 6.157 6.032 6.278 0.278 15 0 "[ . 1 .]" 1
502 1 37 ILE HA 1 37 ILE MD 3.400 . 4.800 3.715 2.094 3.896 . 0 0 "[ . 1 .]" 1
503 1 37 ILE HA 1 37 ILE HG12 2.900 . 4.000 2.587 2.439 3.062 . 0 0 "[ . 1 .]" 1
504 1 37 ILE HA 1 37 ILE MG 2.500 . 3.300 2.358 2.311 2.425 . 0 0 "[ . 1 .]" 1
505 1 37 ILE HA 1 38 CYS H 4.000 . 6.000 3.551 3.515 3.604 . 0 0 "[ . 1 .]" 1
506 1 37 ILE HB 1 37 ILE MD 3.100 . 4.300 2.506 2.366 3.240 . 0 0 "[ . 1 .]" 1
507 1 37 ILE HB 1 38 CYS H 2.400 . 3.100 2.616 2.247 2.881 . 0 0 "[ . 1 .]" 1
508 1 37 ILE HB 1 39 LYS H 4.000 . 6.000 4.520 4.229 4.821 . 0 0 "[ . 1 .]" 1
509 1 37 ILE HB 1 70 CYS H 3.000 . 4.100 2.938 2.700 3.201 . 0 0 "[ . 1 .]" 1
510 1 37 ILE HB 1 70 CYS HA 4.700 . 6.000 4.754 4.234 5.232 . 0 0 "[ . 1 .]" 1
511 1 37 ILE HB 1 70 CYS HB2 3.400 . 4.800 3.769 3.188 4.425 . 0 0 "[ . 1 .]" 1
512 1 37 ILE HB 1 70 CYS HB3 3.200 . 4.500 2.547 2.036 3.046 . 0 0 "[ . 1 .]" 1
513 1 37 ILE MD 1 66 PHE HB2 4.200 . 6.000 4.339 3.385 5.126 . 0 0 "[ . 1 .]" 1
514 1 37 ILE MD 1 66 PHE QD 3.000 . 4.100 3.439 2.719 4.166 0.066 5 0 "[ . 1 .]" 1
515 1 37 ILE MD 1 66 PHE QE 3.900 . 5.800 4.332 3.677 4.999 . 0 0 "[ . 1 .]" 1
516 1 37 ILE MD 1 66 PHE QE 3.700 . 5.400 4.188 3.575 4.785 . 0 0 "[ . 1 .]" 1
517 1 37 ILE MD 1 67 HIS H 3.900 . 5.800 4.429 3.817 5.425 . 0 0 "[ . 1 .]" 1
518 1 37 ILE MD 1 70 CYS H 5.000 . 6.000 4.589 4.095 6.045 0.045 6 0 "[ . 1 .]" 1
519 1 37 ILE MD 1 70 CYS HA 4.400 . 6.000 3.874 3.476 5.062 . 0 0 "[ . 1 .]" 1
520 1 37 ILE MD 1 70 CYS HB2 3.400 . 4.800 2.671 2.121 4.206 . 0 0 "[ . 1 .]" 1
521 1 37 ILE MD 1 70 CYS HB3 2.800 . 3.800 2.198 1.857 3.430 . 0 0 "[ . 1 .]" 1
522 1 37 ILE MD 1 71 TYR HA 2.800 . 3.800 2.802 2.084 3.746 . 0 0 "[ . 1 .]" 1
523 1 37 ILE MD 1 71 TYR QB 3.900 . 5.800 4.004 3.475 5.021 . 0 0 "[ . 1 .]" 1
524 1 37 ILE MD 1 74 THR HB 2.900 . 4.000 2.686 1.892 3.687 . 0 0 "[ . 1 .]" 1
525 1 37 ILE MG 1 38 CYS H 3.200 . 4.500 3.515 3.237 3.782 . 0 0 "[ . 1 .]" 1
526 1 37 ILE MG 1 70 CYS HA 3.800 . 5.600 3.798 3.192 4.352 . 0 0 "[ . 1 .]" 1
527 1 37 ILE MG 1 70 CYS HB2 4.100 . 6.000 4.107 3.288 4.744 . 0 0 "[ . 1 .]" 1
528 1 37 ILE MG 1 70 CYS HB3 2.500 . 3.300 2.662 1.779 3.244 . 0 0 "[ . 1 .]" 1
529 1 37 ILE MG 1 74 THR HB 3.400 . 4.900 3.422 2.051 4.812 . 0 0 "[ . 1 .]" 1
530 1 38 CYS H 1 38 CYS HA 3.000 . 4.100 2.934 2.916 2.943 . 0 0 "[ . 1 .]" 1
531 1 38 CYS H 1 38 CYS HB2 4.400 . 6.000 3.796 3.704 3.875 . 0 0 "[ . 1 .]" 1
532 1 38 CYS H 1 38 CYS HB3 2.800 . 3.800 3.114 2.950 3.243 . 0 0 "[ . 1 .]" 1
533 1 38 CYS H 1 39 LYS H 2.300 . 2.900 2.006 1.863 2.189 . 0 0 "[ . 1 .]" 1
534 1 38 CYS H 1 39 LYS HA 4.900 . 6.000 4.223 4.076 4.421 . 0 0 "[ . 1 .]" 1
535 1 38 CYS H 1 40 GLU H 4.300 . 6.000 3.636 3.416 4.062 . 0 0 "[ . 1 .]" 1
536 1 38 CYS HA 1 38 CYS HB2 2.500 . 3.300 2.455 2.442 2.472 . 0 0 "[ . 1 .]" 1
537 1 38 CYS HA 1 38 CYS HB3 2.600 . 3.400 2.429 2.398 2.449 . 0 0 "[ . 1 .]" 1
538 1 38 CYS HA 1 39 LYS H 4.200 . 6.000 3.262 3.224 3.345 . 0 0 "[ . 1 .]" 1
539 1 38 CYS HB2 1 39 LYS H 4.800 . 6.000 4.311 4.223 4.371 . 0 0 "[ . 1 .]" 1
540 1 38 CYS HB2 1 40 GLU H 4.000 . 6.000 4.063 3.683 4.328 . 0 0 "[ . 1 .]" 1
541 1 38 CYS HB2 1 40 GLU QG 3.200 . 4.500 3.514 2.972 4.347 . 0 0 "[ . 1 .]" 1
542 1 38 CYS HB3 1 39 LYS H 4.900 . 6.000 4.397 4.301 4.475 . 0 0 "[ . 1 .]" 1
543 1 39 LYS H 1 39 LYS HA 2.100 . 2.600 2.254 2.232 2.281 . 0 0 "[ . 1 .]" 1
544 1 39 LYS H 1 39 LYS HB2 3.300 . 4.600 3.571 3.390 3.728 . 0 0 "[ . 1 .]" 1
545 1 39 LYS H 1 39 LYS HB3 3.600 . 5.200 4.084 4.057 4.113 . 0 0 "[ . 1 .]" 1
546 1 39 LYS H 1 39 LYS HD2 4.000 . 6.000 4.839 2.202 5.528 . 0 0 "[ . 1 .]" 1
547 1 39 LYS H 1 39 LYS QD 4.000 . 6.000 4.204 2.176 4.887 . 0 0 "[ . 1 .]" 1
548 1 39 LYS H 1 39 LYS HD3 4.200 . 6.000 4.792 2.748 5.517 . 0 0 "[ . 1 .]" 1
549 1 39 LYS H 1 39 LYS HG2 3.600 . 5.200 3.591 2.874 4.597 . 0 0 "[ . 1 .]" 1
550 1 39 LYS H 1 39 LYS HG3 3.500 . 5.000 3.271 2.705 4.476 . 0 0 "[ . 1 .]" 1
551 1 39 LYS H 1 40 GLU H 2.500 . 3.300 2.679 2.614 2.754 . 0 0 "[ . 1 .]" 1
552 1 39 LYS HA 1 39 LYS QG 2.600 . 3.500 2.511 2.311 3.076 . 0 0 "[ . 1 .]" 1
553 1 39 LYS HA 1 40 GLU H 3.000 . 4.100 2.988 2.881 3.174 . 0 0 "[ . 1 .]" 1
554 1 40 GLU H 1 40 GLU HA 2.600 . 3.500 2.922 2.882 2.940 . 0 0 "[ . 1 .]" 1
555 1 40 GLU H 1 40 GLU QB 2.700 . 3.600 2.525 2.278 3.067 . 0 0 "[ . 1 .]" 1
556 1 40 GLU H 1 40 GLU HB2 3.600 . 5.200 2.167 1.937 2.317 0.063 1 0 "[ . 1 .]" 1
557 1 40 GLU H 1 40 GLU HB3 3.100 . 4.300 2.462 1.949 2.971 . 0 0 "[ . 1 .]" 1
558 1 40 GLU HA 1 40 GLU HG3 3.200 . 4.500 3.370 2.993 3.758 . 0 0 "[ . 1 .]" 1
559 1 40 GLU HA 1 41 THR H 2.100 . 2.700 2.194 2.127 2.292 . 0 0 "[ . 1 .]" 1
560 1 40 GLU QB 1 41 THR H 3.700 . 5.400 3.086 2.851 3.247 . 0 0 "[ . 1 .]" 1
561 1 41 THR H 1 41 THR HA 2.800 . 3.800 2.862 2.820 2.907 . 0 0 "[ . 1 .]" 1
562 1 41 THR H 1 41 THR HB 2.300 . 3.000 2.544 2.506 2.580 . 0 0 "[ . 1 .]" 1
563 1 41 THR H 1 41 THR MG 3.700 . 5.500 3.771 3.730 3.796 . 0 0 "[ . 1 .]" 1
564 1 41 THR H 1 42 VAL H 4.100 . 6.000 4.473 4.413 4.523 . 0 0 "[ . 1 .]" 1
565 1 41 THR HA 1 41 THR HB 2.500 . 3.300 3.032 3.025 3.039 . 0 0 "[ . 1 .]" 1
566 1 41 THR HA 1 41 THR MG 2.200 . 2.800 2.374 2.341 2.423 . 0 0 "[ . 1 .]" 1
567 1 41 THR HA 1 42 VAL H 2.100 . 2.600 2.163 2.137 2.203 . 0 0 "[ . 1 .]" 1
568 1 41 THR HA 1 42 VAL MG2 3.600 . 5.200 3.402 3.283 3.566 . 0 0 "[ . 1 .]" 1
569 1 41 THR HB 1 41 THR MG 2.000 . 2.500 2.136 2.130 2.143 . 0 0 "[ . 1 .]" 1
570 1 41 THR HB 1 42 VAL H 3.600 . 5.300 4.232 4.128 4.278 . 0 0 "[ . 1 .]" 1
571 1 41 THR MG 1 42 VAL H 2.600 . 3.400 2.838 2.657 2.918 . 0 0 "[ . 1 .]" 1
572 1 41 THR MG 1 42 VAL HB 4.400 . 6.000 4.678 4.412 4.865 . 0 0 "[ . 1 .]" 1
573 1 41 THR MG 1 42 VAL MG2 4.200 . 6.000 4.307 4.172 4.389 . 0 0 "[ . 1 .]" 1
574 1 41 THR MG 1 43 THR H 3.400 . 4.900 4.236 3.985 4.503 . 0 0 "[ . 1 .]" 1
575 1 42 VAL H 1 42 VAL HA 2.700 . 3.600 2.924 2.895 2.942 . 0 0 "[ . 1 .]" 1
576 1 42 VAL H 1 42 VAL HB 2.400 . 3.100 2.622 2.569 2.650 . 0 0 "[ . 1 .]" 1
577 1 42 VAL H 1 42 VAL MG1 4.000 . 6.000 3.819 3.788 3.842 . 0 0 "[ . 1 .]" 1
578 1 42 VAL H 1 42 VAL MG2 2.500 . 3.300 2.192 2.088 2.339 . 0 0 "[ . 1 .]" 1
579 1 42 VAL HA 1 42 VAL HB 2.900 . 4.000 3.017 3.011 3.024 . 0 0 "[ . 1 .]" 1
580 1 42 VAL HA 1 42 VAL MG1 2.400 . 3.100 2.324 2.285 2.363 . 0 0 "[ . 1 .]" 1
581 1 42 VAL HA 1 42 VAL MG2 2.200 . 2.800 2.483 2.438 2.516 . 0 0 "[ . 1 .]" 1
582 1 42 VAL HA 1 43 THR H 2.000 . 2.500 2.124 2.108 2.151 . 0 0 "[ . 1 .]" 1
583 1 42 VAL HB 1 42 VAL MG1 2.200 . 2.800 2.127 2.122 2.131 . 0 0 "[ . 1 .]" 1
584 1 42 VAL HB 1 42 VAL MG2 2.200 . 2.800 2.127 2.123 2.134 . 0 0 "[ . 1 .]" 1
585 1 42 VAL HB 1 43 THR H 3.600 . 5.200 4.210 4.154 4.246 . 0 0 "[ . 1 .]" 1
586 1 42 VAL MG1 1 43 THR HA 3.000 . 4.200 3.185 3.082 3.254 . 0 0 "[ . 1 .]" 1
587 1 42 VAL MG1 1 42 VAL MG2 2.100 . 2.600 2.100 2.091 2.112 . 0 0 "[ . 1 .]" 1
588 1 42 VAL MG1 1 43 THR H 2.800 . 3.800 2.954 2.779 3.030 . 0 0 "[ . 1 .]" 1
589 1 42 VAL MG1 1 53 TRP HH2 3.000 . 6.000 6.042 5.907 6.081 0.081 15 0 "[ . 1 .]" 1
590 1 42 VAL MG1 1 55 TRP HA 2.900 . 3.900 3.431 3.243 3.533 . 0 0 "[ . 1 .]" 1
591 1 42 VAL MG1 1 55 TRP HD1 3.100 . 4.300 3.643 3.463 3.801 . 0 0 "[ . 1 .]" 1
592 1 42 VAL MG1 1 56 LYS H 3.200 . 4.500 3.506 3.351 3.649 . 0 0 "[ . 1 .]" 1
593 1 42 VAL MG1 1 55 TRP HB2 3.600 . 5.200 5.092 4.727 5.403 0.203 14 0 "[ . 1 .]" 1
594 1 42 VAL MG1 1 55 TRP HB3 3.000 . 6.000 3.794 3.366 4.134 . 0 0 "[ . 1 .]" 1
595 1 42 VAL MG1 1 55 TRP HE1 3.300 . 4.600 4.186 3.915 4.622 0.022 9 0 "[ . 1 .]" 1
596 1 42 VAL MG1 1 55 TRP HZ3 3.300 . 6.000 5.790 5.394 6.023 0.023 3 0 "[ . 1 .]" 1
597 1 42 VAL MG1 1 58 THR HA 4.200 . 6.000 3.515 3.439 3.601 . 0 0 "[ . 1 .]" 1
598 1 42 VAL MG1 1 58 THR HB 4.100 . 6.000 4.678 4.389 4.854 . 0 0 "[ . 1 .]" 1
599 1 42 VAL MG1 1 67 HIS HA 4.000 . 6.000 4.774 4.162 5.101 . 0 0 "[ . 1 .]" 1
600 1 42 VAL MG1 1 67 HIS HD2 3.900 . 5.800 3.310 3.021 3.664 . 0 0 "[ . 1 .]" 1
601 1 42 VAL MG2 1 43 THR H 2.400 . 6.000 4.211 4.142 4.251 . 0 0 "[ . 1 .]" 1
602 1 42 VAL MG2 1 43 THR HA 3.900 . 5.800 5.286 5.155 5.351 . 0 0 "[ . 1 .]" 1
603 1 42 VAL MG2 1 43 THR MG 3.100 . 6.000 5.236 5.150 5.298 . 0 0 "[ . 1 .]" 1
604 1 42 VAL MG2 1 67 HIS H 4.200 . 6.000 4.122 3.595 4.451 . 0 0 "[ . 1 .]" 1
605 1 42 VAL MG2 1 67 HIS HA 3.900 . 5.800 4.768 4.333 5.200 . 0 0 "[ . 1 .]" 1
606 1 42 VAL MG2 1 67 HIS HD2 3.200 . 4.500 3.807 3.493 3.950 . 0 0 "[ . 1 .]" 1
607 1 42 VAL MG2 1 67 HIS HE1 2.700 . 3.600 2.208 1.959 2.608 . 0 0 "[ . 1 .]" 1
608 1 43 THR H 1 43 THR HA 2.900 . 3.900 2.936 2.925 2.944 . 0 0 "[ . 1 .]" 1
609 1 43 THR H 1 43 THR HB 3.300 . 4.700 3.672 3.649 3.705 . 0 0 "[ . 1 .]" 1
610 1 43 THR H 1 43 THR MG 2.800 . 3.800 2.853 2.784 2.928 . 0 0 "[ . 1 .]" 1
611 1 43 THR H 1 44 GLY H 4.200 . 6.000 4.524 4.492 4.543 . 0 0 "[ . 1 .]" 1
612 1 43 THR H 1 44 GLY H 3.900 . 5.800 3.291 3.157 3.478 . 0 0 "[ . 1 .]" 1
613 1 43 THR H 1 55 TRP HE1 3.500 . 6.000 5.644 5.372 5.983 . 0 0 "[ . 1 .]" 1
614 1 43 THR HA 1 43 THR HB 2.200 . 2.800 2.531 2.521 2.540 . 0 0 "[ . 1 .]" 1
615 1 43 THR HA 1 43 THR MG 2.300 . 3.000 2.303 2.282 2.322 . 0 0 "[ . 1 .]" 1
616 1 43 THR HA 1 44 GLY H 2.300 . 3.000 2.411 2.356 2.455 . 0 0 "[ . 1 .]" 1
617 1 43 THR HA 1 44 GLY HA2 3.600 . 5.300 3.448 3.175 3.658 . 0 0 "[ . 1 .]" 1
618 1 43 THR HA 1 44 GLY HA3 3.800 . 5.600 3.525 3.117 3.714 . 0 0 "[ . 1 .]" 1
619 1 43 THR HA 1 45 VAL H 4.300 . 6.000 4.127 3.996 4.328 . 0 0 "[ . 1 .]" 1
620 1 43 THR HA 1 55 TRP HD1 3.000 . 6.000 5.026 4.700 5.232 . 0 0 "[ . 1 .]" 1
621 1 43 THR HA 1 55 TRP HE1 2.800 . 3.800 3.645 3.414 3.838 0.038 9 0 "[ . 1 .]" 1
622 1 43 THR HB 1 43 THR MG 2.200 . 2.800 2.134 2.131 2.140 . 0 0 "[ . 1 .]" 1
623 1 43 THR HB 1 44 GLY H 3.000 . 4.100 2.537 2.490 2.605 . 0 0 "[ . 1 .]" 1
624 1 43 THR HB 1 55 TRP HE1 4.500 . 6.000 5.283 4.969 5.478 . 0 0 "[ . 1 .]" 1
625 1 43 THR MG 1 44 GLY H 3.700 . 5.400 3.611 3.572 3.649 . 0 0 "[ . 1 .]" 1
626 1 43 THR MG 1 44 GLY H 5.200 . 6.000 3.510 3.425 3.550 . 0 0 "[ . 1 .]" 1
627 1 43 THR MG 1 55 TRP HE1 4.600 . 6.000 5.282 5.108 5.454 . 0 0 "[ . 1 .]" 1
628 1 44 GLY H 1 44 GLY HA2 2.900 . 4.000 2.947 2.944 2.952 . 0 0 "[ . 1 .]" 1
629 1 44 GLY H 1 44 GLY HA3 2.600 . 3.400 2.526 2.509 2.545 . 0 0 "[ . 1 .]" 1
630 1 44 GLY H 1 45 VAL H 4.400 . 6.000 4.435 4.418 4.450 . 0 0 "[ . 1 .]" 1
631 1 44 GLY H 1 53 TRP HB3 3.300 . 6.000 6.096 6.024 6.157 0.157 4 0 "[ . 1 .]" 1
632 1 44 GLY H 1 55 TRP HD1 3.300 . 4.600 4.028 3.725 4.171 . 0 0 "[ . 1 .]" 1
633 1 44 GLY H 1 55 TRP HE1 2.700 . 3.600 3.006 2.718 3.237 . 0 0 "[ . 1 .]" 1
634 1 44 GLY H 1 55 TRP HZ2 4.800 . 6.000 5.236 4.724 5.528 . 0 0 "[ . 1 .]" 1
635 1 44 GLY H 1 55 TRP HZ2 3.400 . 6.000 5.222 4.716 5.507 . 0 0 "[ . 1 .]" 1
636 1 44 GLY HA2 1 45 VAL H 2.500 . 3.300 2.302 2.253 2.338 . 0 0 "[ . 1 .]" 1
637 1 44 GLY HA2 1 55 TRP HD1 2.900 . 3.900 2.641 2.503 2.844 . 0 0 "[ . 1 .]" 1
638 1 44 GLY HA2 1 55 TRP HE1 4.100 . 6.000 3.832 3.419 4.198 . 0 0 "[ . 1 .]" 1
639 1 44 GLY HA3 1 45 VAL H 2.900 . 4.000 2.801 2.769 2.818 . 0 0 "[ . 1 .]" 1
640 1 44 GLY HA3 1 45 VAL H 3.100 . 4.300 2.659 2.633 2.697 . 0 0 "[ . 1 .]" 1
641 1 44 GLY HA3 1 53 TRP HE3 2.900 . 6.000 4.160 3.978 4.466 . 0 0 "[ . 1 .]" 1
642 1 44 GLY HA3 1 55 TRP HA 3.800 . 5.600 3.744 3.193 4.034 . 0 0 "[ . 1 .]" 1
643 1 44 GLY HA3 1 55 TRP HD1 2.400 . 3.100 1.984 1.703 2.144 . 0 0 "[ . 1 .]" 1
644 1 44 GLY HA3 1 55 TRP HE1 3.100 . 4.300 2.513 2.173 2.748 . 0 0 "[ . 1 .]" 1
645 1 44 GLY HA3 1 56 LYS H 4.500 . 6.000 5.436 4.645 5.907 . 0 0 "[ . 1 .]" 1
646 1 45 VAL H 1 45 VAL HA 2.900 . 3.900 2.947 2.942 2.953 . 0 0 "[ . 1 .]" 1
647 1 45 VAL H 1 45 VAL HB 3.000 . 4.100 2.656 2.599 2.698 . 0 0 "[ . 1 .]" 1
648 1 45 VAL H 1 45 VAL MG1 3.400 . 4.900 3.865 3.839 3.889 . 0 0 "[ . 1 .]" 1
649 1 45 VAL H 1 45 VAL QG 2.800 . 3.800 2.501 2.432 2.622 . 0 0 "[ . 1 .]" 1
650 1 45 VAL H 1 46 TYR H 3.900 . 5.800 4.463 4.433 4.484 . 0 0 "[ . 1 .]" 1
651 1 45 VAL H 1 46 TYR QD 3.400 . 4.800 4.795 4.765 4.857 0.057 13 0 "[ . 1 .]" 1
652 1 45 VAL H 1 47 ASP H 3.800 . 6.000 5.828 5.639 6.014 0.014 14 0 "[ . 1 .]" 1
653 1 45 VAL H 1 55 TRP HD1 3.600 . 5.200 3.710 3.574 3.884 . 0 0 "[ . 1 .]" 1
654 1 45 VAL H 1 56 LYS H 4.600 . 6.000 4.955 4.547 5.282 . 0 0 "[ . 1 .]" 1
655 1 45 VAL H 1 54 VAL QG 3.200 . 4.500 2.497 2.241 2.837 . 0 0 "[ . 1 .]" 1
656 1 45 VAL H 1 55 TRP HD1 3.500 . 5.100 3.866 3.701 4.125 . 0 0 "[ . 1 .]" 1
657 1 45 VAL HA 1 45 VAL HB 2.400 . 3.100 3.028 3.022 3.032 . 0 0 "[ . 1 .]" 1
658 1 45 VAL HA 1 45 VAL MG1 2.600 . 3.400 2.373 2.328 2.420 . 0 0 "[ . 1 .]" 1
659 1 45 VAL HA 1 45 VAL QG 2.600 . 3.500 2.150 2.135 2.162 . 0 0 "[ . 1 .]" 1
660 1 45 VAL HA 1 45 VAL MG2 2.500 . 3.300 2.460 2.422 2.490 . 0 0 "[ . 1 .]" 1
661 1 45 VAL HA 1 46 TYR H 1.900 . 2.300 2.258 2.198 2.303 0.003 12 0 "[ . 1 .]" 1
662 1 45 VAL HA 1 53 TRP HE3 2.900 . 3.900 3.420 3.254 3.554 . 0 0 "[ . 1 .]" 1
663 1 45 VAL HA 1 53 TRP HH2 3.900 . 5.800 5.457 5.085 5.637 . 0 0 "[ . 1 .]" 1
664 1 45 VAL HA 1 53 TRP HZ3 2.600 . 3.500 3.300 3.020 3.507 0.007 9 0 "[ . 1 .]" 1
665 1 45 VAL HB 1 46 TYR H 2.300 . 2.900 2.630 2.540 2.675 . 0 0 "[ . 1 .]" 1
666 1 45 VAL QG 1 46 TYR H 2.500 . 3.300 2.226 2.084 2.363 . 0 0 "[ . 1 .]" 1
667 1 45 VAL QG 1 56 LYS H 3.800 . 6.000 5.533 5.157 5.992 . 0 0 "[ . 1 .]" 1
668 1 46 TYR H 1 46 TYR HA 2.500 . 3.300 2.884 2.867 2.893 . 0 0 "[ . 1 .]" 1
669 1 46 TYR H 1 46 TYR HB2 2.200 . 2.800 2.679 2.573 2.732 . 0 0 "[ . 1 .]" 1
670 1 46 TYR H 1 46 TYR HB3 2.300 . 3.000 2.467 2.411 2.544 . 0 0 "[ . 1 .]" 1
671 1 46 TYR H 1 46 TYR QD 3.800 . 5.600 4.208 4.181 4.237 . 0 0 "[ . 1 .]" 1
672 1 46 TYR H 1 47 ASP H 3.600 . 5.300 4.432 4.391 4.462 . 0 0 "[ . 1 .]" 1
673 1 46 TYR H 1 48 GLU QG 3.900 . 6.000 5.612 5.230 6.073 0.073 11 0 "[ . 1 .]" 1
674 1 46 TYR H 1 53 TRP HE3 3.300 . 4.700 3.516 3.355 3.679 . 0 0 "[ . 1 .]" 1
675 1 46 TYR H 1 53 TRP HE3 3.100 . 4.300 2.738 2.572 2.937 . 0 0 "[ . 1 .]" 1
676 1 46 TYR H 1 53 TRP HE3 2.900 . 4.000 2.458 2.358 2.500 . 0 0 "[ . 1 .]" 1
677 1 46 TYR H 1 53 TRP HZ3 3.600 . 5.200 3.341 3.094 3.544 . 0 0 "[ . 1 .]" 1
678 1 46 TYR HA 1 46 TYR HB2 2.500 . 3.300 2.462 2.436 2.501 . 0 0 "[ . 1 .]" 1
679 1 46 TYR HA 1 46 TYR HB3 3.000 . 4.100 3.028 3.022 3.032 . 0 0 "[ . 1 .]" 1
680 1 46 TYR HA 1 46 TYR QD 2.100 . 2.700 2.373 2.270 2.462 . 0 0 "[ . 1 .]" 1
681 1 46 TYR HA 1 47 ASP H 2.000 . 2.500 2.147 2.130 2.167 . 0 0 "[ . 1 .]" 1
682 1 46 TYR HA 1 47 ASP H 2.200 . 2.800 2.067 2.047 2.091 . 0 0 "[ . 1 .]" 1
683 1 46 TYR HA 1 47 ASP HA 4.400 . 6.000 3.897 3.858 3.924 . 0 0 "[ . 1 .]" 1
684 1 46 TYR HA 1 47 ASP HB3 2.500 . 3.300 2.450 2.419 2.504 . 0 0 "[ . 1 .]" 1
685 1 46 TYR HA 1 53 TRP H 4.000 . 6.000 4.355 4.234 4.442 . 0 0 "[ . 1 .]" 1
686 1 46 TYR HA 1 53 TRP HA 2.000 . 2.500 1.954 1.832 2.077 . 0 0 "[ . 1 .]" 1
687 1 46 TYR HA 1 53 TRP HE3 3.400 . 4.800 3.469 3.243 3.769 . 0 0 "[ . 1 .]" 1
688 1 46 TYR HB2 1 46 TYR QD 2.400 . 3.100 2.629 2.591 2.664 . 0 0 "[ . 1 .]" 1
689 1 46 TYR HB2 1 46 TYR QE 4.700 . 6.000 4.477 4.465 4.488 . 0 0 "[ . 1 .]" 1
690 1 46 TYR HB2 1 47 ASP H 3.800 . 5.600 4.327 4.278 4.362 . 0 0 "[ . 1 .]" 1
691 1 46 TYR HB2 1 53 TRP HD1 3.200 . 4.500 3.964 3.619 4.248 . 0 0 "[ . 1 .]" 1
692 1 46 TYR HB2 1 53 TRP HE3 3.000 . 4.100 3.485 3.243 3.749 . 0 0 "[ . 1 .]" 1
693 1 46 TYR HB2 1 53 TRP HH2 3.500 . 5.000 3.595 3.378 3.848 . 0 0 "[ . 1 .]" 1
694 1 46 TYR HB2 1 53 TRP HZ2 3.800 . 5.600 3.659 3.467 3.937 . 0 0 "[ . 1 .]" 1
695 1 46 TYR HB2 1 53 TRP HZ3 3.300 . 4.600 3.507 3.228 3.941 . 0 0 "[ . 1 .]" 1
696 1 46 TYR HB3 1 46 TYR QD 2.200 . 2.800 2.276 2.262 2.296 . 0 0 "[ . 1 .]" 1
697 1 46 TYR HB3 1 46 TYR QE 4.500 . 6.000 4.381 4.366 4.397 . 0 0 "[ . 1 .]" 1
698 1 46 TYR HB3 1 47 ASP H 4.200 . 6.000 4.288 4.234 4.340 . 0 0 "[ . 1 .]" 1
699 1 46 TYR HB3 1 53 TRP HA 5.000 . 6.000 4.900 4.782 5.053 . 0 0 "[ . 1 .]" 1
700 1 46 TYR HB3 1 53 TRP HE3 4.600 . 6.000 4.831 4.566 5.081 . 0 0 "[ . 1 .]" 1
701 1 46 TYR HB3 1 53 TRP HH2 4.100 . 6.000 4.566 4.255 4.879 . 0 0 "[ . 1 .]" 1
702 1 46 TYR HB3 1 53 TRP HZ2 4.800 . 6.000 4.941 4.649 5.325 . 0 0 "[ . 1 .]" 1
703 1 46 TYR HB3 1 53 TRP HZ3 4.400 . 6.000 4.506 4.189 4.874 . 0 0 "[ . 1 .]" 1
704 1 46 TYR QD 1 47 ASP H 3.100 . 4.300 3.288 3.075 3.483 . 0 0 "[ . 1 .]" 1
705 1 46 TYR QD 1 48 GLU H 3.800 . 5.600 4.422 4.105 4.705 . 0 0 "[ . 1 .]" 1
706 1 46 TYR QD 1 48 GLU QG 2.600 . 3.500 2.569 2.039 3.154 . 0 0 "[ . 1 .]" 1
707 1 46 TYR QD 1 53 TRP H 3.600 . 5.200 3.298 3.151 3.499 . 0 0 "[ . 1 .]" 1
708 1 46 TYR QD 1 53 TRP HA 2.900 . 3.900 2.773 2.667 2.889 . 0 0 "[ . 1 .]" 1
709 1 46 TYR QD 1 53 TRP HB2 4.500 . 6.000 4.285 4.097 4.427 . 0 0 "[ . 1 .]" 1
710 1 46 TYR QD 1 53 TRP HB3 3.900 . 5.800 4.299 4.088 4.547 . 0 0 "[ . 1 .]" 1
711 1 46 TYR QD 1 53 TRP HD1 3.100 . 4.300 3.243 2.956 3.486 . 0 0 "[ . 1 .]" 1
712 1 46 TYR QD 1 53 TRP HE1 3.200 . 4.500 3.583 3.316 3.798 . 0 0 "[ . 1 .]" 1
713 1 46 TYR QD 1 53 TRP HE3 3.900 . 5.800 4.430 4.098 4.806 . 0 0 "[ . 1 .]" 1
714 1 46 TYR QD 1 53 TRP HE3 4.400 . 6.000 4.226 3.941 4.575 . 0 0 "[ . 1 .]" 1
715 1 46 TYR QD 1 53 TRP HH2 3.100 . 6.000 4.704 4.537 5.025 . 0 0 "[ . 1 .]" 1
716 1 46 TYR QD 1 53 TRP HZ2 3.900 . 5.800 4.521 4.330 4.770 . 0 0 "[ . 1 .]" 1
717 1 46 TYR QD 1 54 VAL H 5.300 . 6.000 4.897 4.860 4.981 . 0 0 "[ . 1 .]" 1
718 1 46 TYR QD 1 54 VAL QG 2.800 . 6.000 4.733 4.619 4.851 . 0 0 "[ . 1 .]" 1
719 1 46 TYR QE 1 47 ASP H 3.700 . 5.400 4.103 3.846 4.260 . 0 0 "[ . 1 .]" 1
720 1 46 TYR QE 1 47 ASP HB3 4.100 . 6.000 4.042 3.596 4.466 . 0 0 "[ . 1 .]" 1
721 1 46 TYR QE 1 48 GLU H 4.400 . 6.000 4.949 4.455 5.147 . 0 0 "[ . 1 .]" 1
722 1 46 TYR QE 1 48 GLU HA 2.500 . 3.300 3.059 2.663 3.332 0.032 9 0 "[ . 1 .]" 1
723 1 46 TYR QE 1 48 GLU QG 2.500 . 3.300 2.638 2.140 3.137 . 0 0 "[ . 1 .]" 1
724 1 46 TYR QE 1 51 GLY HA2 3.400 . 4.800 3.308 2.831 3.565 . 0 0 "[ . 1 .]" 1
725 1 46 TYR QE 1 51 GLY HA3 3.700 . 5.500 4.276 3.902 4.557 . 0 0 "[ . 1 .]" 1
726 1 46 TYR QE 1 52 GLU H 3.800 . 5.600 3.770 3.320 4.103 . 0 0 "[ . 1 .]" 1
727 1 46 TYR QE 1 52 GLU H 4.100 . 6.000 3.746 3.311 4.052 . 0 0 "[ . 1 .]" 1
728 1 46 TYR QE 1 52 GLU HA 2.800 . 3.700 2.721 2.488 3.249 . 0 0 "[ . 1 .]" 1
729 1 46 TYR QE 1 53 TRP H 4.000 . 6.000 3.836 3.348 4.174 . 0 0 "[ . 1 .]" 1
730 1 46 TYR QE 1 53 TRP HD1 3.500 . 5.000 3.761 3.294 4.113 . 0 0 "[ . 1 .]" 1
731 1 46 TYR QE 1 53 TRP HE1 3.400 . 4.900 4.074 3.662 4.538 . 0 0 "[ . 1 .]" 1
732 1 46 TYR QE 1 53 TRP HZ2 3.400 . 6.000 5.582 5.338 6.020 0.020 13 0 "[ . 1 .]" 1
733 1 47 ASP H 1 52 GLU H 3.200 . 4.500 2.393 2.344 2.423 . 0 0 "[ . 1 .]" 1
734 1 47 ASP H 1 47 ASP HA 2.800 . 3.800 2.917 2.909 2.929 . 0 0 "[ . 1 .]" 1
735 1 47 ASP H 1 47 ASP HB2 2.700 . 3.600 2.811 2.719 2.927 . 0 0 "[ . 1 .]" 1
736 1 47 ASP H 1 47 ASP HB2 3.600 . 5.200 2.800 2.710 2.914 . 0 0 "[ . 1 .]" 1
737 1 47 ASP H 1 47 ASP HB3 2.500 . 3.300 2.502 2.450 2.587 . 0 0 "[ . 1 .]" 1
738 1 47 ASP H 1 47 ASP HB3 2.800 . 3.800 2.462 2.406 2.529 . 0 0 "[ . 1 .]" 1
739 1 47 ASP H 1 48 GLU H 4.200 . 6.000 3.922 3.818 4.013 . 0 0 "[ . 1 .]" 1
740 1 47 ASP H 1 52 GLU H 3.700 . 5.400 3.590 3.361 3.878 . 0 0 "[ . 1 .]" 1
741 1 47 ASP H 1 54 VAL H 3.800 . 5.600 3.724 3.561 3.934 . 0 0 "[ . 1 .]" 1
742 1 47 ASP HA 1 47 ASP HB2 2.300 . 3.000 2.460 2.420 2.509 . 0 0 "[ . 1 .]" 1
743 1 47 ASP HA 1 47 ASP HB3 2.700 . 3.600 3.028 3.023 3.038 . 0 0 "[ . 1 .]" 1
744 1 47 ASP HA 1 48 GLU H 2.200 . 2.800 2.118 2.071 2.166 . 0 0 "[ . 1 .]" 1
745 1 47 ASP HA 1 52 GLU H 4.300 . 6.000 5.216 4.979 5.468 . 0 0 "[ . 1 .]" 1
746 1 47 ASP HA 1 54 VAL QG 4.000 . 6.000 3.858 3.655 4.192 . 0 0 "[ . 1 .]" 1
747 1 47 ASP HB2 1 48 GLU H 4.600 . 6.000 4.370 4.265 4.490 . 0 0 "[ . 1 .]" 1
748 1 47 ASP HB2 1 49 GLU H 3.900 . 5.800 4.471 4.213 4.797 . 0 0 "[ . 1 .]" 1
749 1 47 ASP HB2 1 52 GLU H 4.100 . 6.000 4.729 4.476 5.076 . 0 0 "[ . 1 .]" 1
750 1 47 ASP HB2 1 54 VAL MG2 2.400 . 3.100 3.030 2.558 3.146 0.046 2 0 "[ . 1 .]" 1
751 1 47 ASP HB3 1 51 GLY H 3.100 . 4.300 3.682 3.513 3.851 . 0 0 "[ . 1 .]" 1
752 1 48 GLU H 1 48 GLU HA 2.700 . 3.600 2.827 2.806 2.841 . 0 0 "[ . 1 .]" 1
753 1 48 GLU H 1 48 GLU QG 2.600 . 3.500 2.187 1.964 2.864 . 0 0 "[ . 1 .]" 1
754 1 48 GLU H 1 49 GLU H 2.900 . 3.900 2.600 2.519 2.649 . 0 0 "[ . 1 .]" 1
755 1 48 GLU H 1 50 SER H 4.600 . 6.000 4.419 4.222 4.561 . 0 0 "[ . 1 .]" 1
756 1 48 GLU HA 1 48 GLU HB3 2.500 . 3.300 2.459 2.428 2.515 . 0 0 "[ . 1 .]" 1
757 1 48 GLU HA 1 48 GLU QG 2.600 . 3.400 2.434 2.382 2.499 . 0 0 "[ . 1 .]" 1
758 1 48 GLU HA 1 49 GLU H 3.300 . 4.700 3.452 3.422 3.521 . 0 0 "[ . 1 .]" 1
759 1 48 GLU HA 1 49 GLU H 2.800 . 3.800 2.391 2.210 2.669 . 0 0 "[ . 1 .]" 1
760 1 48 GLU HB2 1 49 GLU H 3.000 . 4.100 2.190 2.068 2.420 . 0 0 "[ . 1 .]" 1
761 1 48 GLU HG3 1 49 GLU H 3.900 . 5.800 3.516 2.043 4.041 . 0 0 "[ . 1 .]" 1
762 1 48 GLU HG3 1 49 GLU H 3.900 . 5.800 4.311 4.171 4.600 . 0 0 "[ . 1 .]" 1
763 1 49 GLU H 1 49 GLU HB2 2.800 . 3.800 2.343 2.210 2.581 . 0 0 "[ . 1 .]" 1
764 1 49 GLU H 1 49 GLU HA 2.700 . 3.600 2.856 2.827 2.872 . 0 0 "[ . 1 .]" 1
765 1 49 GLU H 1 49 GLU QG 3.600 . 5.200 3.235 2.033 4.086 . 0 0 "[ . 1 .]" 1
766 1 49 GLU H 1 50 SER H 2.600 . 3.500 2.586 2.479 2.662 . 0 0 "[ . 1 .]" 1
767 1 49 GLU HA 1 49 GLU QG 2.600 . 3.400 2.590 2.282 3.139 . 0 0 "[ . 1 .]" 1
768 1 49 GLU HA 1 50 SER H 3.700 . 5.400 3.556 3.520 3.583 . 0 0 "[ . 1 .]" 1
769 1 50 SER H 1 50 SER HA 2.900 . 4.000 2.906 2.887 2.936 . 0 0 "[ . 1 .]" 1
770 1 50 SER H 1 50 SER HB2 3.600 . 5.300 3.634 3.598 3.684 . 0 0 "[ . 1 .]" 1
771 1 50 SER H 1 50 SER HB3 3.000 . 4.100 2.795 2.704 2.908 . 0 0 "[ . 1 .]" 1
772 1 50 SER H 1 51 GLY H 2.100 . 2.700 2.272 2.101 2.360 . 0 0 "[ . 1 .]" 1
773 1 50 SER H 1 52 GLU H 3.900 . 5.800 3.843 3.704 3.990 . 0 0 "[ . 1 .]" 1
774 1 50 SER HA 1 50 SER HB2 2.400 . 3.100 2.487 2.478 2.498 . 0 0 "[ . 1 .]" 1
775 1 50 SER HA 1 50 SER HB3 2.400 . 3.100 2.433 2.418 2.444 . 0 0 "[ . 1 .]" 1
776 1 50 SER HA 1 51 GLY H 3.300 . 4.700 3.430 3.397 3.450 . 0 0 "[ . 1 .]" 1
777 1 50 SER HA 1 52 GLU H 3.500 . 5.000 3.078 2.494 3.892 . 0 0 "[ . 1 .]" 1
778 1 50 SER HB2 1 51 GLY H 4.400 . 6.000 3.998 3.927 4.086 . 0 0 "[ . 1 .]" 1
779 1 50 SER HB3 1 52 GLU H 3.200 . 4.400 2.754 2.409 3.102 . 0 0 "[ . 1 .]" 1
780 1 51 GLY H 1 51 GLY HA2 2.400 . 3.100 2.317 2.309 2.323 . 0 0 "[ . 1 .]" 1
781 1 51 GLY H 1 51 GLY HA2 2.400 . 3.100 2.194 2.173 2.215 . 0 0 "[ . 1 .]" 1
782 1 51 GLY H 1 51 GLY HA3 2.700 . 3.600 2.886 2.878 2.896 . 0 0 "[ . 1 .]" 1
783 1 51 GLY H 1 52 GLU H 2.400 . 3.100 2.431 2.368 2.481 . 0 0 "[ . 1 .]" 1
784 1 51 GLY HA2 1 52 GLU H 3.200 . 4.500 3.041 2.955 3.115 . 0 0 "[ . 1 .]" 1
785 1 51 GLY HA3 1 52 GLU H 3.500 . 5.000 3.455 3.401 3.519 . 0 0 "[ . 1 .]" 1
786 1 52 GLU H 1 52 GLU HA 2.700 . 3.600 2.935 2.906 2.954 . 0 0 "[ . 1 .]" 1
787 1 52 GLU H 1 52 GLU HB2 2.800 . 3.800 2.940 2.613 3.865 0.065 10 0 "[ . 1 .]" 1
788 1 52 GLU H 1 52 GLU QG 2.900 . 3.900 2.846 2.138 3.212 . 0 0 "[ . 1 .]" 1
789 1 52 GLU H 1 53 TRP H 3.800 . 5.600 4.418 4.384 4.478 . 0 0 "[ . 1 .]" 1
790 1 52 GLU HA 1 52 GLU HB2 2.800 . 3.800 2.920 2.483 3.031 . 0 0 "[ . 1 .]" 1
791 1 52 GLU HA 1 52 GLU HB3 2.300 . 2.900 2.459 2.372 2.557 . 0 0 "[ . 1 .]" 1
792 1 52 GLU HA 1 53 TRP H 2.100 . 2.700 2.303 2.172 2.373 . 0 0 "[ . 1 .]" 1
793 1 52 GLU QB 1 53 TRP H 2.900 . 3.900 2.647 2.450 3.022 . 0 0 "[ . 1 .]" 1
794 1 52 GLU QG 1 53 TRP H 3.700 . 5.500 4.042 3.805 4.546 . 0 0 "[ . 1 .]" 1
795 1 53 TRP H 1 53 TRP HB2 2.300 . 3.000 2.419 2.385 2.473 . 0 0 "[ . 1 .]" 1
796 1 53 TRP H 1 53 TRP HB3 3.200 . 4.500 3.607 3.584 3.629 . 0 0 "[ . 1 .]" 1
797 1 53 TRP H 1 53 TRP HD1 2.700 . 3.600 2.419 2.175 2.622 . 0 0 "[ . 1 .]" 1
798 1 53 TRP H 1 54 VAL H 4.400 . 6.000 4.588 4.545 4.636 . 0 0 "[ . 1 .]" 1
799 1 53 TRP HA 1 53 TRP HB2 3.000 . 4.100 3.024 3.019 3.030 . 0 0 "[ . 1 .]" 1
800 1 53 TRP HA 1 53 TRP HB3 2.400 . 3.100 2.506 2.466 2.537 . 0 0 "[ . 1 .]" 1
801 1 53 TRP HA 1 53 TRP HD1 3.800 . 5.600 4.021 3.953 4.120 . 0 0 "[ . 1 .]" 1
802 1 53 TRP HA 1 53 TRP HE1 4.100 . 6.000 5.406 5.345 5.458 . 0 0 "[ . 1 .]" 1
803 1 53 TRP HA 1 53 TRP HE3 3.000 . 4.200 3.422 3.247 3.526 . 0 0 "[ . 1 .]" 1
804 1 53 TRP HA 1 54 VAL H 2.300 . 3.000 2.245 2.205 2.321 . 0 0 "[ . 1 .]" 1
805 1 53 TRP HA 1 54 VAL QG 3.600 . 5.200 3.066 2.992 3.109 . 0 0 "[ . 1 .]" 1
806 1 53 TRP HB2 1 53 TRP HD1 2.500 . 3.300 2.731 2.699 2.763 . 0 0 "[ . 1 .]" 1
807 1 53 TRP HB2 1 53 TRP HE3 3.400 . 4.800 4.033 3.997 4.067 . 0 0 "[ . 1 .]" 1
808 1 53 TRP HB2 1 54 VAL H 4.100 . 6.000 4.046 3.811 4.184 . 0 0 "[ . 1 .]" 1
809 1 53 TRP HB3 1 53 TRP HD1 3.400 . 4.900 3.852 3.834 3.867 . 0 0 "[ . 1 .]" 1
810 1 53 TRP HB3 1 53 TRP HE3 2.300 . 3.000 2.470 2.442 2.503 . 0 0 "[ . 1 .]" 1
811 1 53 TRP HB3 1 53 TRP HZ3 4.700 . 6.000 4.867 4.841 4.897 . 0 0 "[ . 1 .]" 1
812 1 53 TRP HB3 1 54 VAL H 2.900 . 3.900 2.985 2.714 3.160 . 0 0 "[ . 1 .]" 1
813 1 54 VAL H 1 54 VAL HA 3.000 . 4.100 2.951 2.944 2.957 . 0 0 "[ . 1 .]" 1
814 1 54 VAL H 1 54 VAL HB 3.900 . 5.800 3.797 3.768 3.825 . 0 0 "[ . 1 .]" 1
815 1 54 VAL H 1 54 VAL QG 2.400 . 3.100 2.079 2.040 2.126 . 0 0 "[ . 1 .]" 1
816 1 54 VAL H 1 54 VAL MG2 2.400 . 3.100 2.165 2.102 2.233 . 0 0 "[ . 1 .]" 1
817 1 54 VAL H 1 55 TRP H 3.800 . 5.600 4.379 4.343 4.435 . 0 0 "[ . 1 .]" 1
818 1 54 VAL HA 1 54 VAL HB 2.300 . 2.900 2.426 2.405 2.448 . 0 0 "[ . 1 .]" 1
819 1 54 VAL HA 1 54 VAL MG1 2.300 . 2.900 2.387 2.360 2.420 . 0 0 "[ . 1 .]" 1
820 1 54 VAL HA 1 54 VAL QG 2.600 . 3.500 2.325 2.303 2.352 . 0 0 "[ . 1 .]" 1
821 1 54 VAL HA 1 54 VAL MG2 3.100 . 4.300 3.207 3.196 3.219 . 0 0 "[ . 1 .]" 1
822 1 54 VAL HA 1 55 TRP H 2.200 . 2.800 2.142 2.120 2.171 . 0 0 "[ . 1 .]" 1
823 1 54 VAL HB 1 54 VAL MG1 2.100 . 2.600 2.127 2.123 2.133 . 0 0 "[ . 1 .]" 1
824 1 54 VAL HB 1 54 VAL MG2 2.100 . 2.600 2.129 2.124 2.135 . 0 0 "[ . 1 .]" 1
825 1 54 VAL HB 1 55 TRP H 2.600 . 3.500 3.275 3.063 3.381 . 0 0 "[ . 1 .]" 1
826 1 54 VAL HB 1 56 LYS HA 3.700 . 5.400 4.453 4.130 4.659 . 0 0 "[ . 1 .]" 1
827 1 54 VAL MG1 1 55 TRP H 3.700 . 5.400 4.017 3.940 4.067 . 0 0 "[ . 1 .]" 1
828 1 54 VAL MG2 1 55 TRP H 3.200 . 4.500 3.914 3.778 3.984 . 0 0 "[ . 1 .]" 1
829 1 54 VAL MG2 1 55 TRP HE1 4.400 . 6.000 6.137 6.050 6.238 0.238 11 0 "[ . 1 .]" 1
830 1 54 VAL MG2 1 56 LYS H 3.100 . 4.300 3.629 3.421 3.783 . 0 0 "[ . 1 .]" 1
831 1 54 VAL MG2 1 56 LYS HA 3.300 . 6.000 4.869 4.542 5.151 . 0 0 "[ . 1 .]" 1
832 1 55 TRP H 1 55 TRP HA 2.900 . 4.000 2.947 2.935 2.956 . 0 0 "[ . 1 .]" 1
833 1 55 TRP H 1 55 TRP HB2 2.700 . 3.600 2.416 2.352 2.451 . 0 0 "[ . 1 .]" 1
834 1 55 TRP H 1 55 TRP HB3 3.500 . 5.000 3.626 3.581 3.653 . 0 0 "[ . 1 .]" 1
835 1 55 TRP H 1 55 TRP HD1 3.500 . 5.000 3.835 3.744 3.906 . 0 0 "[ . 1 .]" 1
836 1 55 TRP H 1 56 LYS H 3.900 . 5.800 4.147 4.126 4.172 . 0 0 "[ . 1 .]" 1
837 1 55 TRP HA 1 55 TRP HB2 2.900 . 4.000 3.015 3.001 3.027 . 0 0 "[ . 1 .]" 1
838 1 55 TRP HA 1 55 TRP HB3 2.800 . 3.700 2.607 2.584 2.635 . 0 0 "[ . 1 .]" 1
839 1 55 TRP HA 1 55 TRP HD1 2.100 . 2.700 2.091 1.969 2.189 . 0 0 "[ . 1 .]" 1
840 1 55 TRP HA 1 55 TRP HE1 3.800 . 5.600 4.572 4.454 4.669 . 0 0 "[ . 1 .]" 1
841 1 55 TRP HA 1 56 LYS H 2.200 . 2.800 2.189 2.120 2.234 . 0 0 "[ . 1 .]" 1
842 1 55 TRP HB2 1 55 TRP HE3 2.700 . 3.600 2.838 2.788 2.916 . 0 0 "[ . 1 .]" 1
843 1 55 TRP HB2 1 58 THR HB 3.200 . 4.500 3.218 2.965 3.447 . 0 0 "[ . 1 .]" 1
844 1 55 TRP HB2 1 58 THR MG 3.700 . 5.400 3.194 3.024 3.349 . 0 0 "[ . 1 .]" 1
845 1 55 TRP HB3 1 55 TRP HE3 2.600 . 3.500 3.052 2.987 3.092 . 0 0 "[ . 1 .]" 1
846 1 55 TRP HB3 1 56 LYS H 4.000 . 6.000 3.783 3.759 3.812 . 0 0 "[ . 1 .]" 1
847 1 55 TRP HB3 1 58 THR HB 2.700 . 3.600 2.653 2.389 2.956 . 0 0 "[ . 1 .]" 1
848 1 55 TRP HB3 1 58 THR MG 3.300 . 4.600 2.496 2.331 2.640 . 0 0 "[ . 1 .]" 1
849 1 55 TRP HD1 1 56 LYS H 4.200 . 6.000 4.129 3.887 4.299 . 0 0 "[ . 1 .]" 1
850 1 55 TRP HE3 1 58 THR HB 3.600 . 5.200 3.959 3.571 4.290 . 0 0 "[ . 1 .]" 1
851 1 56 LYS H 1 56 LYS QB 2.700 . 3.600 2.684 2.447 3.015 . 0 0 "[ . 1 .]" 1
852 1 56 LYS H 1 56 LYS QD 2.900 . 4.000 2.839 1.720 3.873 0.080 8 0 "[ . 1 .]" 1
853 1 56 LYS H 1 56 LYS HG2 2.900 . 4.000 3.009 2.094 3.696 . 0 0 "[ . 1 .]" 1
854 1 56 LYS H 1 56 LYS HG3 3.000 . 4.100 3.023 1.789 4.005 0.111 11 0 "[ . 1 .]" 1
855 1 56 LYS H 1 57 ASN H 4.500 . 6.000 4.579 4.551 4.604 . 0 0 "[ . 1 .]" 1
856 1 56 LYS HA 1 56 LYS QB 2.600 . 3.500 2.209 2.144 2.330 . 0 0 "[ . 1 .]" 1
857 1 56 LYS HA 1 57 ASN H 2.900 . 3.900 2.283 2.184 2.351 . 0 0 "[ . 1 .]" 1
858 1 56 LYS QB 1 57 ASN H 3.700 . 5.400 2.641 2.525 2.816 . 0 0 "[ . 1 .]" 1
859 1 56 LYS QD 1 58 THR H 4.500 . 6.000 5.326 5.002 5.851 . 0 0 "[ . 1 .]" 1
860 1 56 LYS HG2 1 58 THR H 4.200 . 6.000 4.841 4.537 5.108 . 0 0 "[ . 1 .]" 1
861 1 57 ASN H 1 57 ASN HA 2.800 . 3.800 2.271 2.254 2.286 . 0 0 "[ . 1 .]" 1
862 1 57 ASN H 1 57 ASN HB2 4.100 . 6.000 3.653 3.542 3.725 . 0 0 "[ . 1 .]" 1
863 1 57 ASN H 1 58 THR H 3.400 . 4.800 2.781 2.681 2.894 . 0 0 "[ . 1 .]" 1
864 1 57 ASN HA 1 57 ASN HB2 3.000 . 4.100 3.032 3.023 3.041 . 0 0 "[ . 1 .]" 1
865 1 57 ASN HA 1 57 ASN HB3 2.300 . 3.000 2.419 2.383 2.477 . 0 0 "[ . 1 .]" 1
866 1 57 ASN HA 1 58 THR H 2.700 . 3.600 2.701 2.623 2.733 . 0 0 "[ . 1 .]" 1
867 1 57 ASN HB2 1 57 ASN HD21 3.000 . 4.100 2.816 2.197 3.460 . 0 0 "[ . 1 .]" 1
868 1 57 ASN HB2 1 58 THR H 4.100 . 6.000 4.291 4.251 4.339 . 0 0 "[ . 1 .]" 1
869 1 57 ASN HB2 1 67 HIS HD2 3.000 . 4.100 3.402 2.876 4.076 . 0 0 "[ . 1 .]" 1
870 1 57 ASN HB2 1 69 THR HA 5.200 . 6.000 6.361 6.123 6.802 0.802 9 4 "[ - . +** .]" 1
871 1 57 ASN HB2 1 69 THR HB 4.300 . 6.000 4.613 4.442 5.152 . 0 0 "[ . 1 .]" 1
872 1 57 ASN HB3 1 57 ASN HD21 3.200 . 4.500 2.442 2.155 2.943 . 0 0 "[ . 1 .]" 1
873 1 57 ASN HB3 1 67 HIS HD2 3.700 . 5.400 4.363 3.792 5.144 . 0 0 "[ . 1 .]" 1
874 1 57 ASN HB3 1 69 THR HB 3.100 . 4.300 3.514 2.847 4.313 0.013 14 0 "[ . 1 .]" 1
875 1 57 ASN HB3 1 69 THR MG 3.700 . 5.400 3.850 2.767 4.552 . 0 0 "[ . 1 .]" 1
876 1 57 ASN HD22 1 69 THR MG 2.600 . 6.000 4.864 3.875 5.587 . 0 0 "[ . 1 .]" 1
877 1 58 THR H 1 58 THR MG 3.800 . 5.600 3.897 3.852 3.943 . 0 0 "[ . 1 .]" 1
878 1 58 THR H 1 67 HIS HD2 4.400 . 6.000 4.957 4.618 5.368 . 0 0 "[ . 1 .]" 1
879 1 58 THR H 1 68 SER QB 3.400 . 4.900 3.875 3.031 4.513 . 0 0 "[ . 1 .]" 1
880 1 58 THR HA 1 58 THR HB 2.900 . 4.000 3.029 3.024 3.034 . 0 0 "[ . 1 .]" 1
881 1 58 THR HA 1 58 THR MG 2.300 . 3.000 2.377 2.347 2.401 . 0 0 "[ . 1 .]" 1
882 1 58 THR HA 1 59 ILE H 2.200 . 2.800 2.208 2.182 2.241 . 0 0 "[ . 1 .]" 1
883 1 58 THR HA 1 59 ILE MG 4.200 . 6.000 3.604 3.496 3.710 . 0 0 "[ . 1 .]" 1
884 1 58 THR HA 1 67 HIS HA 2.200 . 2.800 2.243 2.135 2.382 . 0 0 "[ . 1 .]" 1
885 1 58 THR HA 1 67 HIS HB3 4.400 . 6.000 4.623 4.431 4.846 . 0 0 "[ . 1 .]" 1
886 1 58 THR HA 1 67 HIS HD2 3.900 . 5.800 3.476 3.168 3.812 . 0 0 "[ . 1 .]" 1
887 1 58 THR HA 1 68 SER H 2.500 . 3.300 2.336 2.064 2.629 . 0 0 "[ . 1 .]" 1
888 1 58 THR HA 1 68 SER QB 3.400 . 4.900 3.726 2.974 4.489 . 0 0 "[ . 1 .]" 1
889 1 58 THR HB 1 58 THR MG 2.200 . 2.800 2.137 2.133 2.140 . 0 0 "[ . 1 .]" 1
890 1 58 THR HB 1 59 ILE H 4.400 . 6.000 3.960 3.924 3.998 . 0 0 "[ . 1 .]" 1
891 1 58 THR HB 1 67 HIS HA 4.500 . 6.000 5.019 4.840 5.199 . 0 0 "[ . 1 .]" 1
892 1 58 THR MG 1 59 ILE H 2.700 . 3.600 2.374 2.340 2.411 . 0 0 "[ . 1 .]" 1
893 1 58 THR MG 1 65 TYR H 4.400 . 6.000 4.012 3.703 4.321 . 0 0 "[ . 1 .]" 1
894 1 58 THR MG 1 65 TYR QE 2.500 . 6.000 4.311 3.874 4.910 . 0 0 "[ . 1 .]" 1
895 1 58 THR MG 1 66 PHE H 3.000 . 4.100 3.131 2.956 3.285 . 0 0 "[ . 1 .]" 1
896 1 58 THR MG 1 67 HIS HA 3.700 . 5.400 3.404 3.150 3.648 . 0 0 "[ . 1 .]" 1
897 1 59 ILE H 1 59 ILE HB 3.800 . 5.600 3.244 3.181 3.291 . 0 0 "[ . 1 .]" 1
898 1 59 ILE H 1 59 ILE HG13 2.700 . 3.600 2.277 2.217 2.343 . 0 0 "[ . 1 .]" 1
899 1 59 ILE H 1 60 GLU H 4.300 . 6.000 4.364 4.333 4.405 . 0 0 "[ . 1 .]" 1
900 1 59 ILE H 1 66 PHE H 3.000 . 4.100 2.904 2.744 3.018 . 0 0 "[ . 1 .]" 1
901 1 59 ILE H 1 67 HIS HA 3.900 . 5.800 3.552 3.335 3.776 . 0 0 "[ . 1 .]" 1
902 1 59 ILE H 1 68 SER H 4.000 . 6.000 3.382 3.221 3.617 . 0 0 "[ . 1 .]" 1
903 1 59 ILE HA 1 59 ILE HG12 3.500 . 5.000 3.075 3.033 3.107 . 0 0 "[ . 1 .]" 1
904 1 59 ILE HA 1 59 ILE HG13 3.200 . 4.500 2.476 2.434 2.512 . 0 0 "[ . 1 .]" 1
905 1 59 ILE HA 1 59 ILE MG 3.100 . 4.300 3.216 3.209 3.221 . 0 0 "[ . 1 .]" 1
906 1 59 ILE HA 1 60 GLU H 2.300 . 2.900 2.269 2.233 2.305 . 0 0 "[ . 1 .]" 1
907 1 59 ILE HB 1 59 ILE MD 3.100 . 4.300 2.430 2.404 2.450 . 0 0 "[ . 1 .]" 1
908 1 59 ILE HB 1 61 VAL MG2 4.400 . 6.000 3.938 3.836 4.017 . 0 0 "[ . 1 .]" 1
909 1 59 ILE HB 1 68 SER H 3.400 . 4.900 4.213 3.710 4.572 . 0 0 "[ . 1 .]" 1
910 1 59 ILE MD 1 61 VAL MG2 2.800 . 3.800 2.544 2.414 2.738 . 0 0 "[ . 1 .]" 1
911 1 59 ILE MD 1 71 TYR QD 3.000 . 4.100 3.841 3.560 4.050 . 0 0 "[ . 1 .]" 1
912 1 59 ILE MD 1 71 TYR QE 3.300 . 4.700 4.284 3.805 4.667 . 0 0 "[ . 1 .]" 1
913 1 59 ILE HG12 1 61 VAL MG2 3.100 . 4.300 2.455 2.330 2.747 . 0 0 "[ . 1 .]" 1
914 1 59 ILE HG12 1 66 PHE QD 4.800 . 6.000 4.435 4.301 4.532 . 0 0 "[ . 1 .]" 1
915 1 59 ILE HG13 1 60 GLU H 2.800 . 3.800 2.611 2.559 2.694 . 0 0 "[ . 1 .]" 1
916 1 59 ILE MG 1 66 PHE H 3.400 . 4.800 3.178 3.012 3.424 . 0 0 "[ . 1 .]" 1
917 1 60 GLU H 1 60 GLU HB2 2.700 . 3.600 2.854 2.684 2.969 . 0 0 "[ . 1 .]" 1
918 1 60 GLU H 1 60 GLU HB3 2.400 . 3.100 2.559 2.460 2.674 . 0 0 "[ . 1 .]" 1
919 1 60 GLU H 1 60 GLU QG 3.600 . 5.300 4.117 3.996 4.191 . 0 0 "[ . 1 .]" 1
920 1 60 GLU H 1 61 VAL H 4.400 . 6.000 4.348 4.265 4.409 . 0 0 "[ . 1 .]" 1
921 1 60 GLU H 1 61 VAL MG2 4.200 . 6.000 3.948 3.787 4.078 . 0 0 "[ . 1 .]" 1
922 1 60 GLU H 1 65 TYR QD 4.600 . 6.000 4.240 3.791 4.660 . 0 0 "[ . 1 .]" 1
923 1 60 GLU HA 1 60 GLU HB3 3.000 . 4.100 2.323 2.232 2.379 . 0 0 "[ . 1 .]" 1
924 1 60 GLU HA 1 60 GLU QG 3.000 . 3.300 2.413 2.299 2.488 . 0 0 "[ . 1 .]" 1
925 1 60 GLU HA 1 61 VAL H 2.100 . 2.700 2.113 2.089 2.146 . 0 0 "[ . 1 .]" 1
926 1 60 GLU HB2 1 64 LYS H 2.600 . 3.400 2.886 2.697 3.085 . 0 0 "[ . 1 .]" 1
927 1 60 GLU HB2 1 65 TYR H 3.700 . 5.400 3.598 3.238 3.849 . 0 0 "[ . 1 .]" 1
928 1 60 GLU HB2 1 65 TYR QD 3.200 . 4.500 2.655 2.354 2.889 . 0 0 "[ . 1 .]" 1
929 1 60 GLU HB2 1 65 TYR QE 2.500 . 3.300 2.468 2.049 2.665 . 0 0 "[ . 1 .]" 1
930 1 60 GLU HB2 1 61 VAL H 3.500 . 5.100 4.305 4.242 4.371 . 0 0 "[ . 1 .]" 1
931 1 60 GLU HB2 1 65 TYR QD 2.400 . 3.100 2.749 2.395 3.044 . 0 0 "[ . 1 .]" 1
932 1 60 GLU HB2 1 65 TYR QE 2.100 . 2.700 2.566 2.067 2.762 0.062 7 0 "[ . 1 .]" 1
933 1 60 GLU HB3 1 61 VAL H 3.500 . 5.000 2.809 2.736 2.894 . 0 0 "[ . 1 .]" 1
934 1 60 GLU HB3 1 61 VAL HA 4.000 . 6.000 3.905 3.541 4.090 . 0 0 "[ . 1 .]" 1
935 1 60 GLU HB3 1 61 VAL H 3.400 . 4.800 4.245 4.158 4.300 . 0 0 "[ . 1 .]" 1
936 1 60 GLU HB3 1 65 TYR QD 4.400 . 6.000 4.389 4.075 4.644 . 0 0 "[ . 1 .]" 1
937 1 60 GLU HB3 1 65 TYR QE 4.000 . 6.000 3.969 3.586 4.228 . 0 0 "[ . 1 .]" 1
938 1 60 GLU QG 1 63 GLY HA2 3.300 . 4.600 3.167 2.750 3.604 . 0 0 "[ . 1 .]" 1
939 1 60 GLU QG 1 64 LYS HA 2.700 . 6.000 3.747 3.610 3.860 . 0 0 "[ . 1 .]" 1
940 1 60 GLU QG 1 64 LYS HG3 3.400 . 6.000 5.888 5.109 6.548 0.548 15 1 "[ . 1 +]" 1
941 1 60 GLU QG 1 65 TYR QD 3.700 . 5.400 3.570 3.360 3.800 . 0 0 "[ . 1 .]" 1
942 1 60 GLU QG 1 65 TYR QE 3.400 . 4.800 3.290 2.961 3.716 . 0 0 "[ . 1 .]" 1
943 1 61 VAL H 1 66 PHE QE 4.200 . 6.000 3.597 2.966 4.059 . 0 0 "[ . 1 .]" 1
944 1 61 VAL H 1 61 VAL HA 2.700 . 3.600 2.945 2.933 2.951 . 0 0 "[ . 1 .]" 1
945 1 61 VAL H 1 61 VAL HB 2.500 . 3.300 2.739 2.705 2.784 . 0 0 "[ . 1 .]" 1
946 1 61 VAL H 1 61 VAL MG1 3.800 . 5.600 3.892 3.874 3.907 . 0 0 "[ . 1 .]" 1
947 1 61 VAL H 1 61 VAL MG2 2.900 . 3.900 2.763 2.659 2.872 . 0 0 "[ . 1 .]" 1
948 1 61 VAL H 1 64 LYS H 2.500 . 3.300 2.381 2.286 2.454 . 0 0 "[ . 1 .]" 1
949 1 61 VAL H 1 65 TYR H 3.400 . 4.800 3.045 2.552 3.549 . 0 0 "[ . 1 .]" 1
950 1 61 VAL H 1 64 LYS H 3.100 . 4.300 2.991 2.767 3.115 . 0 0 "[ . 1 .]" 1
951 1 61 VAL H 1 65 TYR H 3.500 . 5.100 3.051 2.553 3.565 . 0 0 "[ . 1 .]" 1
952 1 61 VAL H 1 65 TYR QD 4.400 . 6.000 5.179 4.799 5.390 . 0 0 "[ . 1 .]" 1
953 1 61 VAL H 1 66 PHE H 3.700 . 5.400 4.098 3.782 4.305 . 0 0 "[ . 1 .]" 1
954 1 61 VAL H 1 66 PHE QD 3.200 . 4.500 3.090 2.563 3.668 . 0 0 "[ . 1 .]" 1
955 1 61 VAL H 1 66 PHE QE 3.400 . 4.800 3.665 2.995 4.173 . 0 0 "[ . 1 .]" 1
956 1 61 VAL HA 1 61 VAL HB 2.900 . 4.000 3.029 3.025 3.032 . 0 0 "[ . 1 .]" 1
957 1 61 VAL HA 1 61 VAL MG1 2.300 . 3.000 2.378 2.328 2.410 . 0 0 "[ . 1 .]" 1
958 1 61 VAL HA 1 61 VAL MG2 2.500 . 3.300 2.434 2.410 2.477 . 0 0 "[ . 1 .]" 1
959 1 61 VAL HA 1 62 ASN HB3 4.900 . 6.000 5.145 4.789 5.772 . 0 0 "[ . 1 .]" 1
960 1 61 VAL HB 1 61 VAL MG1 2.200 . 2.800 2.127 2.122 2.132 . 0 0 "[ . 1 .]" 1
961 1 61 VAL HB 1 61 VAL MG2 2.300 . 2.900 2.129 2.124 2.133 . 0 0 "[ . 1 .]" 1
962 1 61 VAL HB 1 66 PHE QD 2.800 . 3.800 2.674 2.069 2.968 . 0 0 "[ . 1 .]" 1
963 1 61 VAL HB 1 66 PHE QE 3.000 . 4.100 2.817 2.385 3.307 . 0 0 "[ . 1 .]" 1
964 1 61 VAL HB 1 71 TYR QE 3.700 . 5.400 3.796 3.202 4.409 . 0 0 "[ . 1 .]" 1
965 1 61 VAL MG1 1 61 VAL MG2 2.100 . 2.600 2.091 2.081 2.100 . 0 0 "[ . 1 .]" 1
966 1 61 VAL MG1 1 62 ASN HB2 3.000 . 4.100 2.616 2.449 3.100 . 0 0 "[ . 1 .]" 1
967 1 61 VAL MG1 1 62 ASN HB3 3.400 . 4.900 3.558 3.114 4.375 . 0 0 "[ . 1 .]" 1
968 1 61 VAL MG1 1 71 TYR QD 4.100 . 6.000 3.845 3.317 4.345 . 0 0 "[ . 1 .]" 1
969 1 61 VAL MG1 1 71 TYR QE 2.800 . 3.800 2.370 2.053 2.738 . 0 0 "[ . 1 .]" 1
970 1 61 VAL MG2 1 66 PHE QD 3.200 . 4.500 2.999 2.532 3.428 . 0 0 "[ . 1 .]" 1
971 1 61 VAL MG2 1 66 PHE QE 4.500 . 6.000 4.091 3.662 4.533 . 0 0 "[ . 1 .]" 1
972 1 61 VAL MG2 1 71 TYR QD 3.700 . 5.400 3.064 2.671 3.441 . 0 0 "[ . 1 .]" 1
973 1 61 VAL MG2 1 71 TYR QE 2.900 . 3.900 2.930 2.344 3.523 . 0 0 "[ . 1 .]" 1
974 1 62 ASN HA 1 62 ASN HB2 2.300 . 2.900 2.698 2.508 2.997 0.097 5 0 "[ . 1 .]" 1
975 1 62 ASN HA 1 62 ASN HB3 2.400 . 3.100 2.878 2.521 3.035 . 0 0 "[ . 1 .]" 1
976 1 62 ASN HA 1 63 GLY H 2.800 . 3.800 2.846 2.751 2.910 . 0 0 "[ . 1 .]" 1
977 1 62 ASN HB2 1 63 GLY H 4.200 . 6.000 4.463 4.168 4.591 . 0 0 "[ . 1 .]" 1
978 1 62 ASN HB3 1 63 GLY H 4.100 . 6.000 4.247 4.130 4.432 . 0 0 "[ . 1 .]" 1
979 1 63 GLY H 1 63 GLY HA2 2.300 . 3.000 2.321 2.302 2.331 . 0 0 "[ . 1 .]" 1
980 1 63 GLY H 1 63 GLY HA3 2.800 . 3.800 2.894 2.862 2.909 . 0 0 "[ . 1 .]" 1
981 1 63 GLY H 1 64 LYS H 2.500 . 3.300 2.503 2.424 2.589 . 0 0 "[ . 1 .]" 1
982 1 63 GLY HA2 1 64 LYS H 3.400 . 4.900 3.206 3.118 3.293 . 0 0 "[ . 1 .]" 1
983 1 63 GLY HA3 1 64 LYS H 3.300 . 4.700 3.355 3.276 3.403 . 0 0 "[ . 1 .]" 1
984 1 64 LYS H 1 64 LYS HA 2.800 . 3.800 2.941 2.933 2.948 . 0 0 "[ . 1 .]" 1
985 1 64 LYS H 1 64 LYS QB 2.500 . 3.300 2.584 2.426 2.634 . 0 0 "[ . 1 .]" 1
986 1 64 LYS H 1 65 TYR H 3.800 . 5.600 4.420 4.361 4.501 . 0 0 "[ . 1 .]" 1
987 1 64 LYS H 1 65 TYR QD 4.900 . 6.000 5.630 5.355 5.837 . 0 0 "[ . 1 .]" 1
988 1 64 LYS H 1 66 PHE QE 3.600 . 5.300 3.917 3.301 4.365 . 0 0 "[ . 1 .]" 1
989 1 64 LYS HA 1 64 LYS QB 2.400 . 3.100 2.385 2.345 2.430 . 0 0 "[ . 1 .]" 1
990 1 64 LYS HA 1 64 LYS QD 3.300 . 4.600 3.235 1.960 4.185 0.040 3 0 "[ . 1 .]" 1
991 1 64 LYS HA 1 65 TYR H 2.200 . 2.800 2.214 2.158 2.288 . 0 0 "[ . 1 .]" 1
992 1 64 LYS HA 1 65 TYR QD 3.300 . 4.600 3.771 3.376 4.371 . 0 0 "[ . 1 .]" 1
993 1 64 LYS HA 1 65 TYR QE 3.900 . 5.800 4.904 4.563 5.176 . 0 0 "[ . 1 .]" 1
994 1 64 LYS QB 1 64 LYS HG3 2.500 . 3.300 2.271 2.158 2.409 . 0 0 "[ . 1 .]" 1
995 1 64 LYS QB 1 65 TYR H 2.700 . 3.600 2.837 2.719 2.976 . 0 0 "[ . 1 .]" 1
996 1 64 LYS QB 1 66 PHE QD 4.000 . 6.000 3.658 3.503 3.795 . 0 0 "[ . 1 .]" 1
997 1 64 LYS QB 1 66 PHE QE 3.000 . 4.100 2.110 1.897 2.370 0.003 3 0 "[ . 1 .]" 1
998 1 64 LYS QD 1 65 TYR H 3.700 . 5.400 4.368 3.124 5.231 . 0 0 "[ . 1 .]" 1
999 1 64 LYS QD 1 66 PHE QE 3.300 . 4.700 3.204 2.286 4.336 . 0 0 "[ . 1 .]" 1
1000 1 64 LYS HG2 1 65 TYR H 4.600 . 6.000 4.441 3.887 5.080 . 0 0 "[ . 1 .]" 1
1001 1 65 TYR H 1 65 TYR QB 2.500 . 3.300 2.414 2.347 2.458 . 0 0 "[ . 1 .]" 1
1002 1 65 TYR H 1 65 TYR QD 2.600 . 3.500 2.692 2.530 3.049 . 0 0 "[ . 1 .]" 1
1003 1 65 TYR H 1 65 TYR QE 3.900 . 5.800 4.620 4.541 4.760 . 0 0 "[ . 1 .]" 1
1004 1 65 TYR H 1 66 PHE H 4.200 . 6.000 4.460 4.415 4.497 . 0 0 "[ . 1 .]" 1
1005 1 65 TYR H 1 66 PHE H 3.200 . 4.500 3.132 2.771 3.467 . 0 0 "[ . 1 .]" 1
1006 1 65 TYR HA 1 65 TYR QB 2.600 . 3.500 2.384 2.358 2.420 . 0 0 "[ . 1 .]" 1
1007 1 65 TYR HA 1 65 TYR QD 2.800 . 3.800 2.772 2.375 2.964 . 0 0 "[ . 1 .]" 1
1008 1 65 TYR HA 1 66 PHE H 2.100 . 2.700 2.122 2.108 2.137 . 0 0 "[ . 1 .]" 1
1009 1 65 TYR QB 1 65 TYR QD 2.200 . 2.800 2.136 2.130 2.147 . 0 0 "[ . 1 .]" 1
1010 1 65 TYR QB 1 66 PHE H 3.200 . 4.500 3.111 2.997 3.273 . 0 0 "[ . 1 .]" 1
1011 1 65 TYR QD 1 66 PHE H 3.700 . 5.400 3.951 3.893 4.022 . 0 0 "[ . 1 .]" 1
1012 1 65 TYR QD 1 66 PHE HA 2.600 . 6.000 5.866 5.766 5.940 . 0 0 "[ . 1 .]" 1
1013 1 65 TYR QE 1 66 PHE H 2.900 . 6.000 6.043 5.925 6.099 0.099 11 0 "[ . 1 .]" 1
1014 1 66 PHE H 1 66 PHE HA 2.900 . 4.000 2.941 2.928 2.952 . 0 0 "[ . 1 .]" 1
1015 1 66 PHE H 1 66 PHE HB2 3.000 . 4.200 2.784 2.724 2.849 . 0 0 "[ . 1 .]" 1
1016 1 66 PHE H 1 66 PHE HB2 3.000 . 4.100 2.766 2.715 2.827 . 0 0 "[ . 1 .]" 1
1017 1 66 PHE H 1 66 PHE HB3 3.800 . 5.600 3.856 3.826 3.891 . 0 0 "[ . 1 .]" 1
1018 1 66 PHE H 1 66 PHE QD 3.300 . 4.700 3.209 2.798 3.625 . 0 0 "[ . 1 .]" 1
1019 1 66 PHE H 1 67 HIS H 4.400 . 6.000 4.410 4.371 4.442 . 0 0 "[ . 1 .]" 1
1020 1 66 PHE HA 1 66 PHE HB3 3.000 . 4.100 2.462 2.433 2.501 . 0 0 "[ . 1 .]" 1
1021 1 66 PHE HA 1 66 PHE QD 2.800 . 3.800 2.815 2.374 3.090 . 0 0 "[ . 1 .]" 1
1022 1 66 PHE HA 1 67 HIS H 2.500 . 3.300 2.367 2.308 2.411 . 0 0 "[ . 1 .]" 1
1023 1 66 PHE HB2 1 66 PHE QD 2.500 . 3.300 2.333 2.234 2.431 . 0 0 "[ . 1 .]" 1
1024 1 66 PHE HB2 1 66 PHE QE 4.700 . 6.000 4.381 4.345 4.421 . 0 0 "[ . 1 .]" 1
1025 1 66 PHE HB2 1 67 HIS H 3.800 . 5.600 3.709 3.581 3.836 . 0 0 "[ . 1 .]" 1
1026 1 66 PHE HB3 1 66 PHE QD 3.200 . 4.500 2.462 2.348 2.642 . 0 0 "[ . 1 .]" 1
1027 1 66 PHE QD 1 67 HIS H 4.200 . 6.000 3.941 3.632 4.139 . 0 0 "[ . 1 .]" 1
1028 1 66 PHE QD 1 71 TYR QE 3.900 . 5.800 4.951 4.190 5.752 . 0 0 "[ . 1 .]" 1
1029 1 66 PHE QE 1 71 TYR QD 3.300 . 6.000 4.999 4.546 5.790 . 0 0 "[ . 1 .]" 1
1030 1 66 PHE QE 1 71 TYR QE 2.600 . 6.000 5.180 4.259 6.016 0.016 11 0 "[ . 1 .]" 1
1031 1 67 HIS H 1 67 HIS HA 3.000 . 4.100 2.830 2.808 2.853 . 0 0 "[ . 1 .]" 1
1032 1 67 HIS H 1 67 HIS HB2 2.600 . 3.400 2.361 2.214 2.511 . 0 0 "[ . 1 .]" 1
1033 1 67 HIS H 1 67 HIS HB3 3.700 . 5.500 3.586 3.513 3.620 . 0 0 "[ . 1 .]" 1
1034 1 67 HIS H 1 68 SER H 5.000 . 6.000 4.525 4.493 4.543 . 0 0 "[ . 1 .]" 1
1035 1 67 HIS H 1 70 CYS H 5.200 . 6.000 4.522 4.287 4.740 . 0 0 "[ . 1 .]" 1
1036 1 67 HIS H 1 70 CYS HB2 4.100 . 6.000 3.359 2.887 3.753 . 0 0 "[ . 1 .]" 1
1037 1 67 HIS H 1 70 CYS HB3 5.000 . 6.000 4.799 4.228 5.205 . 0 0 "[ . 1 .]" 1
1038 1 67 HIS H 1 71 TYR H 4.200 . 6.000 5.125 4.815 5.531 . 0 0 "[ . 1 .]" 1
1039 1 67 HIS HA 1 67 HIS HB3 2.700 . 3.600 2.591 2.493 2.689 . 0 0 "[ . 1 .]" 1
1040 1 67 HIS HA 1 67 HIS HD2 2.800 . 3.800 2.399 2.148 2.694 . 0 0 "[ . 1 .]" 1
1041 1 67 HIS HA 1 68 SER H 2.400 . 3.100 2.154 2.133 2.180 . 0 0 "[ . 1 .]" 1
1042 1 67 HIS HA 1 68 SER QB 4.700 . 6.000 4.306 4.050 4.627 . 0 0 "[ . 1 .]" 1
1043 1 67 HIS HA 1 70 CYS H 4.500 . 6.000 4.231 4.141 4.405 . 0 0 "[ . 1 .]" 1
1044 1 67 HIS HB2 1 70 CYS H 3.800 . 5.600 2.778 2.415 3.143 . 0 0 "[ . 1 .]" 1
1045 1 67 HIS HB2 1 70 CYS HB2 2.400 . 3.100 2.292 1.911 2.671 . 0 0 "[ . 1 .]" 1
1046 1 67 HIS HB2 1 70 CYS HB3 4.200 . 6.000 3.674 3.368 3.979 . 0 0 "[ . 1 .]" 1
1047 1 67 HIS HB3 1 67 HIS HD2 3.500 . 5.000 3.250 3.101 3.417 . 0 0 "[ . 1 .]" 1
1048 1 67 HIS HB3 1 70 CYS H 2.600 . 3.400 2.422 2.028 2.679 . 0 0 "[ . 1 .]" 1
1049 1 67 HIS HB3 1 70 CYS HB2 3.200 . 4.500 3.433 2.963 3.935 . 0 0 "[ . 1 .]" 1
1050 1 67 HIS HB3 1 70 CYS HB3 5.000 . 6.000 4.829 4.357 5.256 . 0 0 "[ . 1 .]" 1
1051 1 67 HIS HD2 1 68 SER H 4.600 . 6.000 3.927 3.540 4.344 . 0 0 "[ . 1 .]" 1
1052 1 67 HIS HD2 1 72 HIS HD2 2.500 . 6.000 5.968 4.724 6.132 0.132 5 0 "[ . 1 .]" 1
1053 1 68 SER H 1 68 SER QB 2.900 . 4.000 2.446 2.233 2.774 . 0 0 "[ . 1 .]" 1
1054 1 69 THR HA 1 69 THR HB 2.400 . 3.100 2.801 2.359 3.036 . 0 0 "[ . 1 .]" 1
1055 1 69 THR HA 1 69 THR MG 2.600 . 3.400 2.699 2.232 3.224 . 0 0 "[ . 1 .]" 1
1056 1 69 THR HA 1 70 CYS H 2.800 . 3.800 2.741 2.731 2.750 . 0 0 "[ . 1 .]" 1
1057 1 69 THR HB 1 69 THR MG 2.000 . 2.500 2.135 2.127 2.144 . 0 0 "[ . 1 .]" 1
1058 1 69 THR MG 1 70 CYS H 3.600 . 6.000 3.054 2.044 3.869 . 0 0 "[ . 1 .]" 1
1059 1 69 THR MG 1 70 CYS HB3 4.200 . 6.000 5.064 4.279 5.874 . 0 0 "[ . 1 .]" 1
1060 1 70 CYS H 1 70 CYS HB2 2.600 . 3.500 2.452 2.392 2.482 . 0 0 "[ . 1 .]" 1
1061 1 70 CYS H 1 71 TYR H 3.000 . 4.200 2.511 2.407 2.563 . 0 0 "[ . 1 .]" 1
1062 1 70 CYS H 1 71 TYR QB 3.700 . 5.500 4.276 4.128 4.409 . 0 0 "[ . 1 .]" 1
1063 1 70 CYS HA 1 70 CYS HB3 2.700 . 3.600 2.475 2.456 2.524 . 0 0 "[ . 1 .]" 1
1064 1 71 TYR H 1 71 TYR QB 2.600 . 3.400 2.258 2.228 2.311 . 0 0 "[ . 1 .]" 1
1065 1 71 TYR H 1 71 TYR QD 5.000 . 6.000 4.201 4.175 4.222 . 0 0 "[ . 1 .]" 1
1066 1 71 TYR HA 1 71 TYR QB 3.000 . 4.100 2.352 2.305 2.377 . 0 0 "[ . 1 .]" 1
1067 1 71 TYR QB 1 71 TYR QE 4.100 . 6.000 3.941 3.931 3.955 . 0 0 "[ . 1 .]" 1
1068 1 72 HIS HB2 1 72 HIS HD2 3.500 . 5.000 3.642 2.914 3.913 . 0 0 "[ . 1 .]" 1
1069 1 72 HIS HB3 1 72 HIS HD2 3.500 . 5.000 3.386 2.707 3.955 . 0 0 "[ . 1 .]" 1
1070 1 73 GLU HA 1 73 GLU QB 1.900 . 2.400 2.196 2.159 2.343 . 0 0 "[ . 1 .]" 1
1071 1 73 GLU HA 1 73 GLU QG 3.000 . 4.100 3.330 2.959 3.508 . 0 0 "[ . 1 .]" 1
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