NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
478551 |
2kwh   |
15524 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kwh
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 1186
_Distance_constraint_stats_list.Viol_count 3700
_Distance_constraint_stats_list.Viol_total 16915.580
_Distance_constraint_stats_list.Viol_max 0.945
_Distance_constraint_stats_list.Viol_rms 0.0373
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0057
_Distance_constraint_stats_list.Viol_average_violations_only 0.0914
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 GLU 7.931 0.453 11 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 4 THR 12.248 0.453 11 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 5 GLN 15.030 0.916 46 2 "[ . 1 . 2 . 3 . 4 .+* 5]"
1 6 ALA 3.423 0.243 47 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 7 GLY 6.807 0.220 2 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 8 ILE 51.613 0.945 14 10 "[ . 1* +*** 2 . 3 . **4 .-** 5]"
1 9 LYS 12.236 0.324 11 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 10 GLU 3.887 0.555 47 1 "[ . 1 . 2 . 3 . 4 . + 5]"
1 11 GLU 7.042 0.824 17 4 "[ . 1 . + 2 .* - 3 . 4 *. 5]"
1 12 ILE 25.848 0.580 46 1 "[ . 1 . 2 . 3 . 4 .+ 5]"
1 13 ARG 8.801 0.555 47 1 "[ . 1 . 2 . 3 . 4 . + 5]"
1 14 ARG 24.309 0.944 7 17 "[ **+* * ** .* **2 * 3 . ** 4 - .** *5]"
1 15 GLN 19.316 0.824 17 5 "[ . 1 . +- 2 .* * 3 . 4 *. 5]"
1 16 GLU 23.338 0.429 23 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 17 PHE 46.722 0.944 7 29 "[ * **+****** ****** * * * * ** ** 4* - .** *5]"
1 18 LEU 29.139 0.585 18 1 "[ . 1 . + 2 . 3 . 4 . 5]"
1 19 LEU 38.900 0.944 7 15 "[ **+* * ** .* *2 * 3 . ** 4 - .* *5]"
1 20 ASN 43.798 0.911 41 22 "[ * . **-1*** **** * * . * * ** * 4+ * . * *5]"
1 21 SER 5.314 0.239 25 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 22 LEU 36.945 0.925 35 2 "[ . - 1 . 2 . 3 + 4 . 5]"
1 23 HIS 36.988 0.925 35 5 "[ . * 1 * 2 . 3 + * . - 5]"
1 24 ARG 30.228 0.514 33 1 "[ . 1 . 2 . 3 + . 4 . 5]"
1 25 ASP 7.438 0.868 42 5 "[ . 1 .** 2 . 3 . * + . - 5]"
1 26 LEU 43.847 0.868 42 10 "[ . 1* *** 2 . 3 . *** + . -* 5]"
1 27 GLN 6.255 0.394 27 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 28 GLY 1.197 0.178 3 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 29 GLY 1.065 0.152 47 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 30 ILE 9.047 0.499 40 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 31 LYS 5.921 0.499 40 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 32 ASP 14.864 0.429 23 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 33 LEU 1.582 0.118 26 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 34 SER 0.982 0.133 35 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 35 LYS 51.274 0.679 42 11 "[ .**- 1** . * ** . * 3 . 4 +* . 5]"
1 36 GLU 28.046 0.829 15 8 "[ . 1- +** 2 . 3 . **4 . ** 5]"
1 37 GLU 8.957 0.453 11 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 38 ARG 48.439 0.679 42 11 "[ .**- 1** . * ** . * 3 . 4 +* . 5]"
1 39 LEU 51.023 0.679 42 11 "[ .*-* 1** . * ** . * 3 . 4 +* . 5]"
1 40 TRP 19.140 0.220 2 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 41 GLU 8.947 0.288 1 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 42 VAL 9.048 0.394 27 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 43 GLN 29.782 0.453 11 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 44 ARG 23.601 0.454 9 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 45 ILE 17.037 0.464 17 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 46 LEU 40.064 0.499 40 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 47 THR 25.772 0.829 15 8 "[ . 1- +** 2 . 3 . **4 . ** 5]"
1 48 ALA 3.473 0.126 17 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 49 LEU 26.686 0.580 46 1 "[ . 1 . 2 . 3 . 4 .+ 5]"
1 50 LYS 23.709 0.419 26 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 51 ARG 19.229 0.945 14 2 "[ . 1 +. 2 . 3 . 4 . - 5]"
1 52 LYS 3.343 0.191 28 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 53 LEU 17.414 0.925 35 3 "[ . 1 . 2 . 3 + 4 .*- 5]"
1 54 ARG 3.955 0.555 47 1 "[ . 1 . 2 . 3 . 4 . + 5]"
1 55 GLU 7.011 0.555 47 1 "[ . 1 . 2 . 3 . 4 . + 5]"
1 56 ALA 1.385 0.120 27 0 "[ . 1 . 2 . 3 . 4 . 5]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 GLU H 1 3 GLU HB2 3.100 . 4.300 2.907 2.276 3.845 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
2 1 3 GLU H 1 3 GLU HB3 4.000 . 6.000 3.398 2.416 4.098 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
3 1 3 GLU HA 1 3 GLU HB2 2.900 . 3.900 2.814 2.396 3.029 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
4 1 3 GLU HA 1 3 GLU HB3 2.300 . 3.000 2.552 2.320 3.025 0.025 7 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
5 1 3 GLU HA 1 3 GLU HB3 2.700 . 3.600 2.537 2.313 2.992 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
6 1 3 GLU HA 1 3 GLU QG 3.000 . 4.100 2.818 2.358 3.528 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
7 1 3 GLU HA 1 53 LEU QD 3.300 . 4.700 2.645 1.818 3.687 0.082 2 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
8 1 3 GLU HB2 1 3 GLU QG 2.200 . 2.800 2.062 1.979 2.150 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
9 1 3 GLU HB2 1 4 THR H 6.000 . 6.000 3.699 1.820 4.604 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
10 1 3 GLU HB3 1 53 LEU MD1 3.100 . 4.300 2.327 1.506 2.894 0.394 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
11 1 3 GLU HB3 1 53 LEU MD1 2.700 . 3.600 2.237 1.474 2.753 0.326 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
12 1 3 GLU HB3 1 3 GLU QG 1.600 . 2.200 1.653 1.625 1.676 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
13 1 3 GLU HB3 1 4 THR H 3.300 . 4.700 3.608 1.688 4.648 0.212 24 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
14 1 3 GLU HB3 1 4 THR MG 3.100 . 4.300 4.215 3.322 4.753 0.453 11 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
15 1 3 GLU HB3 1 53 LEU QD 2.800 . 3.800 2.261 1.515 2.755 0.285 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
16 1 3 GLU HB3 1 53 LEU MD1 2.400 . 3.100 2.529 1.886 3.136 0.036 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
17 1 3 GLU HB3 1 53 LEU MD1 2.400 . 3.100 2.439 1.679 2.986 0.021 44 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
18 1 3 GLU HG2 1 53 LEU MD1 3.700 . 5.400 2.463 1.912 3.226 0.088 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
19 1 4 THR H 1 4 THR HA 2.200 . 2.800 2.678 2.243 2.834 0.034 2 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
20 1 4 THR H 1 4 THR MG 2.900 . 3.900 3.287 2.366 4.014 0.114 9 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
21 1 4 THR HA 1 4 THR MG 1.900 . 2.300 1.945 1.917 1.970 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
22 1 4 THR HA 1 6 ALA H 2.600 . 3.500 3.258 2.927 3.512 0.012 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
23 1 4 THR HA 1 5 GLN H 2.200 . 2.800 2.282 2.117 2.510 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
24 1 4 THR HA 1 6 ALA MB 3.200 . 4.500 4.233 3.768 4.630 0.130 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
25 1 4 THR HB 1 4 THR MG 2.300 . 2.900 2.135 2.125 2.140 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
26 1 4 THR HB 1 6 ALA MB 3.200 . 4.500 4.165 3.262 4.577 0.077 9 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
27 1 4 THR HB 1 7 GLY H 3.500 . 5.000 2.587 2.064 3.058 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
28 1 4 THR HB 1 7 GLY HA2 2.800 . 3.800 3.470 3.235 3.642 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
29 1 4 THR HB 1 7 GLY HA2 2.500 . 3.300 3.379 3.180 3.520 0.220 2 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
30 1 4 THR MG 1 6 ALA H 4.400 . 6.000 3.669 1.964 4.992 0.036 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
31 1 4 THR MG 1 7 GLY HA3 3.300 . 4.700 3.325 2.779 3.663 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
32 1 5 GLN H 1 5 GLN HA 2.800 . 3.800 2.838 2.795 2.882 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
33 1 5 GLN H 1 5 GLN QB 2.500 . 3.300 2.264 2.023 2.444 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
34 1 5 GLN H 1 5 GLN HG2 3.900 . 5.800 3.640 2.325 4.658 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
35 1 5 GLN H 1 5 GLN QG 4.700 . 6.000 3.337 2.304 4.074 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
36 1 5 GLN H 1 5 GLN HG3 3.900 . 5.800 4.183 3.702 4.521 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
37 1 5 GLN H 1 6 ALA H 2.700 . 3.600 2.534 2.355 2.723 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
38 1 5 GLN HA 1 5 GLN QB 2.200 . 2.800 2.326 2.269 2.418 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
39 1 5 GLN HA 1 5 GLN HE21 5.000 . 6.000 2.388 1.792 3.889 0.108 33 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
40 1 5 GLN HA 1 5 GLN HE22 4.300 . 6.000 3.221 2.895 5.181 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
41 1 5 GLN HA 1 5 GLN QG 2.800 . 3.800 2.815 2.362 3.072 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
42 1 5 GLN HA 1 5 GLN HG2 3.200 . 4.500 2.154 1.722 2.758 0.178 3 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
43 1 5 GLN HA 1 5 GLN HG2 2.800 . 3.800 2.322 2.140 2.684 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
44 1 5 GLN HA 1 5 GLN HG2 2.900 . 3.900 2.089 1.741 2.348 0.159 3 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
45 1 5 GLN HA 1 5 GLN HG3 2.800 . 3.800 2.676 2.261 3.340 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
46 1 5 GLN HA 1 5 GLN HG3 2.700 . 3.600 2.251 2.084 2.593 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
47 1 5 GLN HA 1 5 GLN HG3 2.700 . 3.600 2.379 2.161 2.637 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
48 1 5 GLN HA 1 6 ALA H 2.700 . 3.600 2.718 2.674 2.735 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
49 1 5 GLN HA 1 6 ALA H 2.200 . 2.800 2.089 2.075 2.102 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
50 1 5 GLN HA 1 8 ILE HG13 3.200 . 4.500 3.155 2.954 3.482 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
51 1 5 GLN HA 1 8 ILE MG 2.800 . 3.800 1.827 1.741 1.951 0.059 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
52 1 5 GLN HA 1 53 LEU HB3 2.400 . 3.100 1.838 1.582 2.020 0.118 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
53 1 5 GLN QB 1 5 GLN HE21 4.800 . 6.000 3.032 1.910 3.992 0.090 19 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
54 1 5 GLN QB 1 5 GLN HE21 3.000 . 4.200 2.432 1.878 3.056 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
55 1 5 GLN QB 1 6 ALA H 2.300 . 3.000 2.668 2.447 2.975 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
56 1 5 GLN QB 1 9 LYS H 3.800 . 5.600 5.158 4.597 5.591 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
57 1 5 GLN HB3 1 6 ALA MB 3.100 . 4.300 3.506 1.657 4.236 0.243 47 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
58 1 5 GLN HB3 1 8 ILE MD 3.200 . 4.500 3.717 2.556 4.268 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
59 1 5 GLN HE21 1 53 LEU QB 2.100 . 2.600 2.111 1.829 2.320 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
60 1 5 GLN HE21 1 5 GLN HG2 2.900 . 4.000 2.900 2.211 3.532 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
61 1 5 GLN HE21 1 5 GLN HG3 3.300 . 4.600 3.030 2.223 3.534 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
62 1 5 GLN HE21 1 8 ILE MD 4.500 . 6.000 5.293 3.823 6.065 0.065 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
63 1 5 GLN HE21 1 53 LEU QB 4.500 . 6.000 2.988 2.004 4.486 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
64 1 5 GLN HE21 1 54 ARG HA 4.400 . 6.000 4.702 2.769 6.089 0.089 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
65 1 5 GLN HE22 1 8 ILE MD 4.700 . 6.000 4.862 3.736 5.964 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
66 1 5 GLN HE22 1 8 ILE MD 3.400 . 4.800 4.623 3.692 5.380 0.580 46 1 "[ . 1 . 2 . 3 . 4 .+ 5]" 1
67 1 5 GLN HE22 1 8 ILE MG 3.000 . 4.100 3.065 2.065 4.638 0.538 46 1 "[ . 1 . 2 . 3 . 4 .+ 5]" 1
68 1 5 GLN HE22 1 8 ILE MG 3.200 . 4.400 2.929 2.064 4.569 0.169 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
69 1 5 GLN HE22 1 9 LYS QD 4.500 . 6.000 2.735 1.938 3.500 0.062 21 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
70 1 5 GLN HE22 1 53 LEU HA 3.200 . 6.000 5.452 4.514 6.916 0.916 46 2 "[ . 1 . 2 . 3 . 4 .+- 5]" 1
71 1 5 GLN HE22 1 53 LEU QB 3.500 . 5.000 2.970 2.066 4.868 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
72 1 5 GLN HE22 1 54 ARG H 5.000 . 6.000 4.020 3.278 5.393 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
73 1 5 GLN HE22 1 54 ARG HA 4.400 . 6.000 4.129 3.174 5.370 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
74 1 5 GLN HG2 1 6 ALA H 3.900 . 5.800 4.704 4.253 5.039 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
75 1 5 GLN HG2 1 8 ILE MG 2.800 . 3.800 2.281 2.081 2.553 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
76 1 5 GLN HG3 1 6 ALA H 6.000 . 6.000 4.588 3.801 5.259 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
77 1 5 GLN HG3 1 8 ILE MG 3.100 . 4.300 2.654 2.175 3.203 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
78 1 5 GLN HG3 1 8 ILE MG 3.300 . 4.700 2.494 2.121 2.865 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
79 1 6 ALA H 1 6 ALA HA 2.100 . 2.700 2.664 2.590 2.726 0.026 35 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
80 1 6 ALA H 1 6 ALA MB 2.400 . 3.100 2.238 2.206 2.255 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
81 1 6 ALA H 1 6 ALA MB 1.800 . 2.200 1.919 1.836 2.025 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
82 1 6 ALA H 1 7 GLY HA2 6.000 . 6.000 5.094 5.014 5.304 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
83 1 6 ALA H 1 9 LYS HB2 6.000 . 6.000 4.627 4.155 5.179 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
84 1 6 ALA HA 1 6 ALA MB 2.300 . 2.900 2.131 2.127 2.137 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
85 1 6 ALA HA 1 6 ALA MB 2.100 . 2.600 2.034 1.853 2.085 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
86 1 6 ALA HA 1 6 ALA MB 2.100 . 2.700 1.942 1.794 2.054 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
87 1 6 ALA HA 1 8 ILE H 2.600 . 3.400 2.821 2.641 2.958 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
88 1 6 ALA HA 1 8 ILE QG 3.500 . 5.000 4.970 4.797 5.111 0.111 8 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
89 1 6 ALA HA 1 9 LYS H 3.600 . 5.200 3.259 3.022 3.642 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
90 1 6 ALA HA 1 9 LYS QB 2.100 . 2.700 1.785 1.589 1.961 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
91 1 6 ALA HA 1 9 LYS QB 2.100 . 2.700 1.999 1.653 2.466 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
92 1 6 ALA HA 1 9 LYS HD2 2.200 . 2.800 2.088 1.778 2.243 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
93 1 6 ALA MB 1 7 GLY H 3.000 . 4.100 3.011 2.709 3.216 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
94 1 6 ALA MB 1 7 GLY HA3 2.800 . 3.800 2.282 1.911 2.953 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
95 1 6 ALA MB 1 10 GLU H 5.100 . 6.000 3.382 3.154 3.644 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
96 1 7 GLY H 1 7 GLY HA2 2.400 . 3.100 2.813 2.784 2.836 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
97 1 7 GLY H 1 7 GLY HA3 2.400 . 3.100 2.286 2.275 2.293 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
98 1 7 GLY H 1 8 ILE H 2.200 . 2.800 2.843 2.802 2.905 0.105 4 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
99 1 7 GLY H 1 8 ILE H 2.600 . 3.400 2.372 2.309 2.410 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
100 1 7 GLY H 1 8 ILE MG 2.400 . 3.100 2.090 1.947 2.498 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
101 1 7 GLY HA2 1 10 GLU HB3 3.100 . 4.300 3.366 3.080 3.650 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
102 1 7 GLY HA2 1 10 GLU QG 3.500 . 5.000 3.718 3.354 4.888 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
103 1 7 GLY HA2 1 8 ILE H 2.800 . 3.800 2.732 2.722 2.754 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
104 1 7 GLY HA2 1 11 GLU HG3 3.900 . 5.800 3.400 2.876 4.309 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
105 1 7 GLY HA2 1 8 ILE MG 2.600 . 3.400 2.330 1.904 2.482 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
106 1 7 GLY HA2 1 8 ILE MG 3.000 . 4.100 2.104 1.908 2.386 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
107 1 7 GLY HA2 1 8 ILE MG 2.900 . 4.000 3.046 2.858 3.311 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
108 1 7 GLY HA3 1 8 ILE H 2.300 . 2.900 2.578 2.458 2.677 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
109 1 7 GLY HA3 1 8 ILE H 2.200 . 2.800 2.038 1.876 2.218 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
110 1 7 GLY HA3 1 49 LEU MD2 2.800 . 3.800 2.346 1.780 2.542 0.020 28 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
111 1 7 GLY HA3 1 49 LEU MD2 3.000 . 4.100 2.449 1.792 2.722 0.108 28 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
112 1 7 GLY HA3 1 49 LEU MD2 2.600 . 3.400 2.083 1.828 2.713 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
113 1 7 GLY HA3 1 49 LEU MD2 3.300 . 4.600 2.385 1.895 2.578 0.105 45 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
114 1 7 GLY HA3 1 49 LEU MD2 2.500 . 3.300 2.385 2.126 2.658 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
115 1 7 GLY HA3 1 49 LEU MD2 2.700 . 3.600 2.114 1.860 2.959 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
116 1 8 ILE H 1 8 ILE HA 2.200 . 2.800 2.837 2.822 2.866 0.066 4 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
117 1 8 ILE H 1 8 ILE HB 2.400 . 3.100 2.748 2.518 2.855 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
118 1 8 ILE H 1 8 ILE HB 2.100 . 2.700 2.222 2.070 2.379 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
119 1 8 ILE H 1 8 ILE MD 3.500 . 5.000 4.135 4.013 4.252 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
120 1 8 ILE H 1 8 ILE QG 3.300 . 4.600 4.127 4.103 4.155 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
121 1 8 ILE H 1 8 ILE MG 2.300 . 3.000 1.885 1.748 2.281 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
122 1 8 ILE H 1 9 LYS H 2.000 . 2.500 2.542 2.424 2.602 0.102 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
123 1 8 ILE H 1 9 LYS QD 3.200 . 4.500 4.178 3.118 4.600 0.100 34 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
124 1 8 ILE H 1 10 GLU HB2 5.500 . 6.000 4.515 4.150 4.824 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
125 1 8 ILE HA 1 8 ILE MD 2.500 . 3.300 1.926 1.743 2.194 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
126 1 8 ILE HA 1 8 ILE MD 2.200 . 2.800 1.720 1.508 1.844 0.092 29 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
127 1 8 ILE HA 1 8 ILE HG12 2.700 . 3.600 2.079 1.786 2.500 0.014 2 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
128 1 8 ILE HA 1 8 ILE MG 2.100 . 2.700 1.686 1.462 1.893 0.038 29 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
129 1 8 ILE HA 1 8 ILE HB 1.900 . 2.400 2.396 2.345 2.511 0.111 28 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
130 1 8 ILE HA 1 8 ILE HB 2.000 . 2.500 1.911 1.888 1.949 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
131 1 8 ILE HA 1 8 ILE MD 2.100 . 2.700 2.003 1.651 2.165 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
132 1 8 ILE HA 1 8 ILE MD 3.500 . 5.000 2.461 1.888 2.748 0.112 28 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
133 1 8 ILE HA 1 8 ILE MD 2.100 . 2.700 1.933 1.640 2.182 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
134 1 8 ILE HA 1 8 ILE QG 2.300 . 3.000 2.075 1.785 2.451 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
135 1 8 ILE HA 1 8 ILE MG 2.200 . 2.800 1.787 1.544 1.971 0.056 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
136 1 8 ILE HA 1 8 ILE MG 2.800 . 3.800 2.208 1.913 2.610 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
137 1 8 ILE HA 1 8 ILE MG 2.100 . 2.700 1.717 1.482 1.901 0.018 29 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
138 1 8 ILE HA 1 9 LYS H 2.700 . 3.600 2.688 2.658 2.714 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
139 1 8 ILE HA 1 10 GLU H 3.000 . 4.100 3.451 3.396 3.496 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
140 1 8 ILE HA 1 12 ILE H 3.200 . 4.500 3.162 3.041 3.274 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
141 1 8 ILE HA 1 49 LEU MD2 2.400 . 3.100 1.825 1.674 2.026 0.026 29 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
142 1 8 ILE HA 1 11 GLU H 3.200 . 4.500 3.435 3.156 3.736 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
143 1 8 ILE HA 1 11 GLU QB 2.200 . 2.800 2.269 1.745 2.680 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
144 1 8 ILE HA 1 11 GLU QB 2.500 . 3.300 2.201 1.735 2.507 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
145 1 8 ILE HA 1 11 GLU QB 2.500 . 3.300 2.054 1.703 2.225 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
146 1 8 ILE HA 1 11 GLU QG 3.300 . 4.700 3.642 2.909 4.413 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
147 1 8 ILE HA 1 49 LEU MD2 2.300 . 3.000 1.713 1.468 1.889 0.132 29 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
148 1 8 ILE HB 1 8 ILE MD 1.700 . 2.200 1.367 1.270 1.457 0.030 17 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
149 1 8 ILE HB 1 49 LEU HB2 2.600 . 3.500 2.241 2.101 2.323 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
150 1 8 ILE HB 1 8 ILE MD 2.300 . 3.000 1.490 1.270 1.762 0.330 39 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
151 1 8 ILE HB 1 8 ILE MD 2.500 . 3.300 1.660 1.365 2.214 0.335 15 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
152 1 8 ILE HB 1 8 ILE QG 2.300 . 3.000 1.786 1.680 1.990 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
153 1 8 ILE HB 1 8 ILE QG 2.400 . 3.100 1.719 1.645 1.876 0.055 18 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
154 1 8 ILE HB 1 8 ILE QG 2.400 . 3.100 1.785 1.680 1.985 0.020 48 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
155 1 8 ILE HB 1 8 ILE MG 1.800 . 2.200 1.556 1.511 1.599 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
156 1 8 ILE HB 1 50 LYS H 1.800 . 2.200 2.064 1.875 2.218 0.018 47 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
157 1 8 ILE HB 1 11 GLU QB 3.800 . 5.600 2.766 2.339 3.437 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
158 1 8 ILE HB 1 11 GLU QB 3.500 . 5.100 2.831 2.449 3.698 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
159 1 8 ILE HB 1 11 GLU HB2 2.200 . 2.800 2.030 1.992 2.074 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
160 1 8 ILE HB 1 49 LEU MD2 1.800 . 2.200 1.434 1.303 1.551 0.097 17 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
161 1 8 ILE MD 1 9 LYS HG3 3.000 . 4.100 2.910 2.478 3.229 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
162 1 8 ILE MD 1 9 LYS QG 3.000 . 4.100 3.201 2.896 3.706 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
163 1 8 ILE MD 1 47 THR HA 2.800 . 3.800 3.086 2.775 3.503 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
164 1 8 ILE MD 1 8 ILE QG 2.100 . 2.600 1.888 1.881 1.892 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
165 1 8 ILE MD 1 8 ILE QG 2.100 . 2.600 1.858 1.789 1.877 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
166 1 8 ILE MD 1 10 GLU H 3.400 . 4.800 3.072 2.854 3.171 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
167 1 8 ILE MD 1 8 ILE MG 1.700 . 2.200 1.486 1.362 1.621 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
168 1 8 ILE MD 1 8 ILE MG 1.800 . 2.200 1.419 1.313 1.496 0.087 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
169 1 8 ILE MD 1 8 ILE MG 1.800 . 2.200 1.491 1.351 1.600 0.049 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
170 1 8 ILE MD 1 8 ILE MG 2.000 . 2.500 1.736 1.684 2.049 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
171 1 8 ILE MD 1 8 ILE MG 2.400 . 3.100 1.749 1.683 2.044 0.017 15 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
172 1 8 ILE MD 1 9 LYS H 3.900 . 5.800 3.398 3.134 4.702 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
173 1 8 ILE MD 1 9 LYS H 3.000 . 4.100 3.176 2.999 3.586 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
174 1 8 ILE MD 1 9 LYS QG 3.400 . 4.800 3.092 2.874 3.521 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
175 1 8 ILE MD 1 9 LYS HG3 3.600 . 5.300 3.142 2.969 3.707 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
176 1 8 ILE MD 1 11 GLU HA 2.900 . 4.000 3.606 2.071 3.891 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
177 1 8 ILE MD 1 11 GLU H 3.600 . 5.200 3.410 3.290 3.618 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
178 1 8 ILE MD 1 11 GLU QB 3.200 . 4.500 3.798 2.106 4.341 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
179 1 8 ILE MD 1 12 ILE H 2.700 . 3.600 3.540 2.830 3.656 0.056 11 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
180 1 8 ILE MD 1 12 ILE HB 1.900 . 2.400 1.450 1.297 1.522 0.103 17 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
181 1 8 ILE MD 1 15 GLN QB 3.100 . 4.300 3.081 2.708 3.651 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
182 1 8 ILE MD 1 50 LYS QD 2.000 . 2.500 1.891 1.673 2.041 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
183 1 8 ILE MD 1 50 LYS QE 2.700 . 3.600 3.070 2.296 3.469 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
184 1 8 ILE MD 1 50 LYS HD3 1.900 . 2.400 1.831 1.586 1.937 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
185 1 8 ILE MD 1 47 THR HA 2.500 . 3.300 3.417 2.959 4.129 0.829 15 8 "[ . 1- +** 2 . 3 . **4 . ** 5]" 1
186 1 8 ILE MD 1 53 LEU H 3.100 . 6.000 5.673 5.435 5.935 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
187 1 8 ILE QG 1 50 LYS QD 2.400 . 3.100 2.256 1.930 2.568 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
188 1 8 ILE QG 1 50 LYS QD 2.600 . 3.400 2.277 1.933 2.637 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
189 1 8 ILE QG 1 11 GLU HB2 2.900 . 4.000 3.686 3.290 4.039 0.039 21 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
190 1 8 ILE HG12 1 46 LEU HG 2.500 . 3.300 3.049 2.405 3.401 0.101 45 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
191 1 8 ILE QG 1 9 LYS HE2 3.400 . 4.900 4.910 4.266 5.224 0.324 11 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
192 1 8 ILE QG 1 9 LYS HE2 3.500 . 5.000 4.812 4.236 5.115 0.115 11 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
193 1 8 ILE QG 1 50 LYS HD3 2.900 . 4.000 2.307 1.954 2.707 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
194 1 8 ILE QG 1 46 LEU HA 3.300 . 4.700 2.744 2.489 2.874 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
195 1 8 ILE QG 1 46 LEU HA 2.300 . 3.000 3.009 2.581 3.118 0.118 28 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
196 1 8 ILE QG 1 46 LEU HG 2.600 . 3.500 3.023 2.401 3.334 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
197 1 8 ILE QG 1 9 LYS H 5.500 . 6.000 4.253 4.041 4.419 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
198 1 8 ILE QG 1 9 LYS HA 3.400 . 4.800 3.483 3.206 3.770 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
199 1 8 ILE QG 1 9 LYS HA 3.700 . 5.400 3.701 3.325 4.112 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
200 1 8 ILE QG 1 9 LYS QE 3.300 . 6.000 5.037 4.254 5.545 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
201 1 8 ILE QG 1 12 ILE HA 2.800 . 6.000 4.193 3.960 4.523 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
202 1 8 ILE QG 1 12 ILE HA 3.000 . 4.100 3.915 3.749 4.071 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
203 1 8 ILE QG 1 12 ILE HB 3.400 . 4.900 2.005 1.821 2.202 0.079 3 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
204 1 8 ILE QG 1 12 ILE HB 3.200 . 4.500 2.264 2.023 2.544 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
205 1 8 ILE QG 1 16 GLU QG 3.300 . 6.000 5.845 5.736 5.935 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
206 1 8 ILE QG 1 49 LEU MD2 2.100 . 2.600 1.780 1.561 1.957 0.039 34 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
207 1 8 ILE QG 1 46 LEU HA 3.200 . 4.500 2.741 2.488 2.870 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
208 1 8 ILE QG 1 46 LEU H 3.100 . 4.300 3.954 3.403 4.308 0.008 47 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
209 1 8 ILE QG 1 46 LEU HA 2.300 . 3.000 3.022 2.585 3.128 0.128 45 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
210 1 8 ILE QG 1 49 LEU QB 2.600 . 3.500 2.844 2.460 3.245 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
211 1 8 ILE QG 1 51 ARG HG2 2.200 . 6.000 6.164 6.062 6.945 0.945 14 1 "[ . 1 +. 2 . 3 . 4 . 5]" 1
212 1 8 ILE HG12 1 16 GLU QG 3.600 . 5.200 4.197 3.543 4.705 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
213 1 8 ILE MG 1 11 GLU HB3 3.100 . 4.300 2.650 1.773 2.942 0.127 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
214 1 8 ILE MG 1 9 LYS H 3.100 . 4.300 2.328 2.177 2.583 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
215 1 8 ILE MG 1 9 LYS QE 3.000 . 4.200 3.253 2.674 4.157 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
216 1 8 ILE MG 1 9 LYS QG 2.600 . 3.400 2.190 1.995 2.260 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
217 1 8 ILE MG 1 10 GLU H 4.300 . 6.000 3.797 3.138 3.975 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
218 1 8 ILE MG 1 11 GLU H 3.400 . 4.900 3.555 3.400 3.749 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
219 1 8 ILE MG 1 11 GLU QB 3.300 . 4.600 2.861 2.387 3.332 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
220 1 8 ILE MG 1 11 GLU QG 2.800 . 3.800 2.436 1.850 3.090 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
221 1 8 ILE MG 1 11 GLU HG3 2.600 . 3.400 2.144 1.703 2.560 0.097 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
222 1 8 ILE MG 1 50 LYS QB 1.900 . 2.300 1.525 1.462 1.568 0.038 22 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
223 1 8 ILE MG 1 50 LYS HA 3.200 . 4.500 1.964 1.814 2.375 0.086 45 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
224 1 8 ILE MG 1 50 LYS QE 2.800 . 3.800 2.791 2.078 3.419 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
225 1 8 ILE MG 1 50 LYS QE 2.500 . 3.300 2.801 2.083 3.439 0.139 8 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
226 1 8 ILE MG 1 51 ARG H 3.700 . 5.400 3.926 3.808 4.261 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
227 1 8 ILE MG 1 49 LEU HG 2.100 . 2.600 2.108 2.085 2.118 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
228 1 8 ILE MG 1 50 LYS H 4.400 . 6.000 3.628 3.406 3.928 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
229 1 9 LYS H 1 9 LYS QB 2.300 . 3.000 2.254 2.048 2.543 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
230 1 9 LYS H 1 9 LYS QD 2.900 . 3.900 3.344 2.274 4.159 0.259 19 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
231 1 9 LYS H 1 9 LYS QD 2.100 . 2.600 2.341 2.048 2.695 0.095 17 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
232 1 9 LYS H 1 9 LYS QG 3.900 . 5.800 3.353 2.140 4.061 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
233 1 9 LYS H 1 10 GLU H 2.300 . 3.000 2.874 2.717 3.030 0.030 10 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
234 1 9 LYS H 1 11 GLU H 4.600 . 6.000 4.147 3.957 4.349 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
235 1 9 LYS HA 1 9 LYS QB 2.100 . 2.700 1.751 1.542 1.871 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
236 1 9 LYS HA 1 9 LYS QD 2.400 . 3.100 1.781 1.546 2.116 0.154 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
237 1 9 LYS HA 1 9 LYS QD 2.500 . 3.300 1.747 1.535 2.057 0.165 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
238 1 9 LYS HA 1 9 LYS QG 2.600 . 3.500 2.717 2.330 3.060 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
239 1 9 LYS HA 1 12 ILE H 2.900 . 3.900 3.792 3.515 3.962 0.062 10 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
240 1 9 LYS HA 1 13 ARG H 3.300 . 4.700 4.347 4.090 4.606 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
241 1 9 LYS QB 1 10 GLU H 2.600 . 3.500 2.414 1.998 2.751 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
242 1 9 LYS HB2 1 10 GLU HA 3.300 . 4.700 2.778 2.023 3.369 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
243 1 9 LYS HB3 1 11 GLU H 3.900 . 5.800 4.505 4.158 4.760 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
244 1 9 LYS QD 1 9 LYS QG 1.600 . 2.200 1.528 1.501 1.541 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
245 1 9 LYS QD 1 9 LYS QG 1.600 . 2.200 1.533 1.515 1.546 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
246 1 9 LYS QD 1 9 LYS QG 1.800 . 2.200 1.733 1.704 1.754 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
247 1 9 LYS QD 1 10 GLU H 3.000 . 6.000 4.718 4.320 5.142 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
248 1 9 LYS QE 1 9 LYS QG 3.200 . 4.500 2.373 2.140 2.777 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
249 1 9 LYS QE 1 12 ILE MG 3.000 . 4.100 3.042 2.114 3.732 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
250 1 10 GLU H 1 10 GLU HA 2.600 . 3.400 2.330 2.214 2.405 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
251 1 10 GLU H 1 10 GLU HB2 2.200 . 2.800 2.484 2.205 2.753 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
252 1 10 GLU H 1 10 GLU HB3 2.600 . 3.400 2.767 2.397 3.570 0.170 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
253 1 10 GLU H 1 10 GLU HB3 2.200 . 2.800 2.091 1.881 2.268 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
254 1 10 GLU H 1 10 GLU QG 2.800 . 3.800 3.015 2.058 3.265 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
255 1 10 GLU H 1 11 GLU H 2.400 . 3.100 2.604 2.471 2.772 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
256 1 10 GLU HA 1 10 GLU HB2 2.400 . 3.100 2.598 2.410 3.025 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
257 1 10 GLU HA 1 10 GLU HB2 2.400 . 3.100 2.214 2.130 2.400 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
258 1 10 GLU HA 1 10 GLU HB2 2.300 . 2.900 2.050 1.949 2.178 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
259 1 10 GLU HA 1 10 GLU HB2 2.300 . 2.900 2.006 1.692 2.133 0.008 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
260 1 10 GLU HA 1 10 GLU HB3 2.400 . 3.100 2.233 2.042 2.360 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
261 1 10 GLU HA 1 10 GLU QG 2.500 . 3.300 2.576 2.211 3.069 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
262 1 10 GLU HA 1 10 GLU QG 2.400 . 3.100 2.105 1.964 2.368 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
263 1 10 GLU HA 1 10 GLU QG 2.800 . 3.700 2.294 2.101 2.829 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
264 1 10 GLU HA 1 11 GLU H 2.400 . 3.100 2.703 2.658 2.737 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
265 1 10 GLU HA 1 12 ILE H 3.500 . 5.000 3.422 3.322 3.482 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
266 1 10 GLU HA 1 13 ARG QG 2.900 . 3.900 2.824 2.028 3.478 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
267 1 10 GLU HA 1 14 ARG H 3.400 . 4.900 3.362 3.010 3.577 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
268 1 10 GLU HA 1 14 ARG HG3 3.400 . 4.800 3.487 2.593 4.529 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
269 1 10 GLU HA 1 12 ILE MG 3.100 . 4.300 2.868 2.578 2.979 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
270 1 10 GLU HA 1 13 ARG HG3 2.600 . 3.400 2.126 1.947 2.555 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
271 1 10 GLU HA 1 13 ARG QD 2.800 . 3.800 2.595 1.817 3.811 0.011 24 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
272 1 10 GLU HA 1 13 ARG QD 2.700 . 3.600 2.364 1.803 2.913 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
273 1 10 GLU HA 1 13 ARG QD 2.600 . 3.400 2.306 1.801 2.877 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
274 1 10 GLU HB2 1 10 GLU QG 2.000 . 2.500 1.958 1.898 1.995 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
275 1 10 GLU HB2 1 11 GLU H 2.200 . 2.800 2.295 2.042 2.450 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
276 1 10 GLU QG 1 13 ARG HD3 3.300 . 4.700 2.601 1.345 3.856 0.555 47 1 "[ . 1 . 2 . 3 . 4 . + 5]" 1
277 1 10 GLU QG 1 13 ARG QD 3.100 . 4.300 3.085 2.153 3.949 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
278 1 11 GLU H 1 11 GLU HA 2.300 . 3.000 2.803 2.745 2.850 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
279 1 11 GLU H 1 11 GLU QB 2.200 . 2.800 2.345 2.090 2.484 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
280 1 11 GLU H 1 11 GLU QG 2.600 . 3.400 2.462 2.179 3.718 0.318 32 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
281 1 11 GLU H 1 12 ILE H 2.400 . 3.100 2.741 2.567 2.871 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
282 1 11 GLU H 1 12 ILE MD 4.300 . 6.000 4.227 4.017 4.761 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
283 1 11 GLU HA 1 11 GLU QB 2.000 . 2.500 2.419 2.373 2.519 0.019 50 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
284 1 11 GLU HA 1 14 ARG HG3 3.500 . 5.000 3.504 2.598 4.480 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
285 1 11 GLU HA 1 14 ARG QB 2.800 . 3.800 2.304 2.175 2.404 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
286 1 11 GLU HA 1 15 GLN QG 3.000 . 4.100 2.347 2.251 2.657 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
287 1 11 GLU HB2 1 12 ILE MG 2.500 . 3.300 2.524 1.894 2.870 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
288 1 11 GLU QB 1 12 ILE H 2.900 . 3.900 2.639 2.257 2.991 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
289 1 11 GLU QB 1 12 ILE HA 3.600 . 5.200 3.125 2.712 3.553 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
290 1 11 GLU QB 1 13 ARG H 4.900 . 6.000 4.662 4.458 4.912 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
291 1 11 GLU QB 1 15 GLN QG 2.600 . 3.500 2.685 2.302 3.093 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
292 1 11 GLU QB 1 49 LEU HG 3.500 . 5.000 3.627 3.014 4.525 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
293 1 11 GLU HB3 1 15 GLN HE21 3.100 . 4.300 2.135 1.578 2.778 0.322 13 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
294 1 11 GLU HB3 1 15 GLN HE22 3.100 . 4.300 2.911 2.382 3.385 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
295 1 11 GLU QG 1 12 ILE H 5.500 . 6.000 4.220 3.914 4.426 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
296 1 11 GLU QG 1 15 GLN HE22 3.200 . 6.000 4.928 3.423 6.824 0.824 17 4 "[ . 1 . + 2 .* - 3 . 4 *. 5]" 1
297 1 11 GLU QG 1 15 GLN HE22 4.500 . 6.000 4.701 3.416 5.630 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
298 1 11 GLU QG 1 49 LEU MD2 2.500 . 3.300 2.256 2.005 2.540 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
299 1 11 GLU HG3 1 49 LEU MD2 3.300 . 4.700 3.131 1.954 3.646 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
300 1 11 GLU HG3 1 49 LEU MD2 2.400 . 3.100 2.481 2.086 2.925 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
301 1 12 ILE H 1 12 ILE HA 2.600 . 3.400 2.831 2.789 2.860 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
302 1 12 ILE H 1 12 ILE HB 2.100 . 2.600 2.407 2.096 2.555 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
303 1 12 ILE H 1 12 ILE MD 2.600 . 3.500 2.423 2.268 3.046 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
304 1 12 ILE H 1 12 ILE MG 2.700 . 3.600 2.438 2.279 3.127 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
305 1 12 ILE H 1 13 ARG H 2.300 . 3.000 2.645 2.532 2.787 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
306 1 12 ILE HA 1 12 ILE HB 2.300 . 3.000 2.579 2.525 2.786 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
307 1 12 ILE HA 1 12 ILE HB 2.700 . 3.600 2.480 2.410 2.585 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
308 1 12 ILE HA 1 12 ILE QG 2.200 . 2.800 2.215 2.075 2.628 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
309 1 12 ILE HA 1 12 ILE MG 2.500 . 3.300 3.200 3.063 3.232 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
310 1 12 ILE HA 1 13 ARG H 2.900 . 4.000 3.537 3.514 3.576 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
311 1 12 ILE HA 1 15 GLN H 3.000 . 4.100 3.087 2.871 3.300 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
312 1 12 ILE HA 1 15 GLN QB 2.800 . 3.800 2.063 1.757 2.595 0.043 35 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
313 1 12 ILE HA 1 15 GLN QG 3.500 . 5.000 3.223 2.752 3.628 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
314 1 12 ILE HA 1 15 GLN QG 3.600 . 5.200 3.183 2.733 3.533 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
315 1 12 ILE HA 1 18 LEU QD 3.300 . 6.000 5.641 5.362 5.915 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
316 1 12 ILE HA 1 46 LEU QD 3.400 . 4.900 3.050 1.972 3.715 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
317 1 12 ILE HB 1 15 GLN H 3.200 . 4.400 3.982 3.793 4.081 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
318 1 12 ILE HB 1 15 GLN HE22 3.400 . 4.800 4.217 3.482 5.179 0.379 5 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
319 1 12 ILE HB 1 16 GLU QG 3.300 . 4.600 2.906 1.571 3.462 0.429 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
320 1 12 ILE MD 1 16 GLU QG 2.200 . 2.800 1.652 1.542 1.725 0.058 50 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
321 1 12 ILE MD 1 16 GLU QB 2.900 . 3.900 2.744 1.779 2.974 0.121 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
322 1 12 ILE MD 1 16 GLU QG 3.200 . 4.500 1.684 1.582 1.777 0.318 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
323 1 12 ILE MD 1 16 GLU QG 2.800 . 3.800 1.830 1.732 1.940 0.068 17 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
324 1 12 ILE MD 1 16 GLU QG 2.500 . 3.300 1.751 1.636 1.871 0.064 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
325 1 12 ILE MD 1 13 ARG H 2.800 . 3.800 2.277 2.111 2.447 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
326 1 12 ILE QG 1 14 ARG HG3 2.900 . 6.000 5.263 4.743 6.016 0.016 19 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
327 1 12 ILE QG 1 50 LYS QE 3.100 . 4.300 3.885 3.080 4.256 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
328 1 12 ILE HG12 1 13 ARG HA 3.100 . 4.300 2.649 2.124 2.778 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
329 1 12 ILE HG12 1 13 ARG HA 3.200 . 4.500 2.675 2.131 2.814 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
330 1 12 ILE HG13 1 15 GLN H 4.900 . 6.000 4.469 4.304 4.633 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
331 1 12 ILE HG13 1 16 GLU QG 3.100 . 4.300 2.099 1.819 2.456 0.081 13 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
332 1 12 ILE HG13 1 15 GLN QG 3.200 . 4.500 3.126 1.785 3.463 0.115 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
333 1 12 ILE HG13 1 15 GLN QG 3.400 . 4.900 2.330 1.808 3.660 0.092 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
334 1 12 ILE MG 1 13 ARG H 2.400 . 3.100 2.281 2.114 2.452 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
335 1 12 ILE MG 1 13 ARG HA 2.600 . 3.400 1.954 1.784 2.285 0.016 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
336 1 12 ILE MG 1 14 ARG H 6.000 . 6.000 4.476 4.255 4.658 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
337 1 12 ILE MG 1 15 GLN H 3.500 . 5.000 4.888 4.743 5.026 0.026 13 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
338 1 12 ILE MG 1 16 GLU H 3.700 . 5.400 4.425 3.828 4.715 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
339 1 13 ARG H 1 13 ARG HA 2.000 . 2.500 2.334 2.308 2.345 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
340 1 13 ARG H 1 13 ARG HA 2.300 . 3.000 2.523 2.484 2.547 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
341 1 13 ARG H 1 13 ARG QB 2.200 . 2.800 2.463 2.301 2.656 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
342 1 13 ARG H 1 13 ARG QB 1.700 . 2.200 1.808 1.728 1.915 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
343 1 13 ARG H 1 13 ARG QD 5.200 . 6.000 3.841 3.314 4.315 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
344 1 13 ARG H 1 13 ARG QD 3.900 . 5.800 3.232 2.689 3.453 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
345 1 13 ARG H 1 13 ARG QG 2.400 . 3.100 2.292 2.070 2.592 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
346 1 13 ARG H 1 14 ARG H 2.300 . 2.900 2.730 2.563 2.848 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
347 1 13 ARG H 1 14 ARG HG3 4.000 . 6.000 4.981 4.188 6.297 0.297 38 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
348 1 13 ARG H 1 15 GLN H 4.800 . 6.000 3.839 3.619 4.049 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
349 1 13 ARG HA 1 16 GLU HB2 2.700 . 3.600 3.321 3.000 3.644 0.044 28 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
350 1 13 ARG HA 1 13 ARG QB 1.900 . 2.300 1.774 1.713 1.834 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
351 1 13 ARG HA 1 13 ARG QD 2.500 . 3.300 2.289 1.907 2.725 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
352 1 13 ARG HA 1 13 ARG QD 3.200 . 4.500 2.695 1.800 3.729 0.100 29 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
353 1 13 ARG HA 1 13 ARG QG 2.200 . 2.800 1.911 1.839 1.986 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
354 1 13 ARG HA 1 13 ARG QG 2.100 . 2.700 1.938 1.885 1.993 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
355 1 13 ARG HA 1 13 ARG QG 2.500 . 3.300 2.114 1.965 2.317 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
356 1 13 ARG HA 1 14 ARG H 2.700 . 3.600 2.733 2.704 2.759 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
357 1 13 ARG HA 1 15 GLN H 3.000 . 4.100 3.425 3.307 3.467 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
358 1 13 ARG HA 1 16 GLU H 3.300 . 4.700 3.806 3.561 3.930 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
359 1 13 ARG HA 1 17 PHE H 3.400 . 4.800 3.380 3.109 3.544 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
360 1 13 ARG HA 1 16 GLU H 3.000 . 4.100 3.998 3.704 4.144 0.044 17 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
361 1 13 ARG HA 1 16 GLU QB 2.500 . 3.300 2.073 1.682 2.581 0.018 6 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
362 1 13 ARG HA 1 16 GLU HB2 3.100 . 4.300 2.683 1.942 2.864 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
363 1 13 ARG HA 1 16 GLU QG 3.400 . 4.800 4.298 3.672 4.705 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
364 1 13 ARG HA 1 16 GLU QG 3.500 . 5.000 3.946 3.518 4.231 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
365 1 13 ARG QB 1 13 ARG QD 2.300 . 3.000 1.819 1.712 2.126 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
366 1 13 ARG QB 1 13 ARG QD 2.300 . 3.000 1.800 1.708 1.928 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
367 1 13 ARG QB 1 13 ARG QG 1.600 . 2.200 1.694 1.671 1.716 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
368 1 13 ARG QB 1 13 ARG QG 1.700 . 2.200 1.748 1.715 1.783 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
369 1 13 ARG QB 1 14 ARG H 2.500 . 3.300 2.433 2.211 3.400 0.100 31 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
370 1 13 ARG QB 1 17 PHE QD 3.000 . 4.100 4.142 3.720 4.199 0.099 8 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
371 1 14 ARG H 1 14 ARG HA 2.200 . 2.800 2.844 2.808 2.884 0.084 39 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
372 1 14 ARG H 1 14 ARG QB 2.300 . 2.900 2.475 2.046 2.813 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
373 1 14 ARG H 1 14 ARG QD 3.600 . 5.200 3.750 2.846 4.592 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
374 1 14 ARG H 1 14 ARG HG2 3.000 . 4.200 2.966 1.811 4.362 0.162 33 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
375 1 14 ARG H 1 14 ARG HG3 3.000 . 4.100 2.705 1.972 4.000 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
376 1 14 ARG H 1 15 GLN H 2.300 . 3.000 2.578 2.385 2.753 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
377 1 14 ARG H 1 15 GLN QG 4.700 . 6.000 4.314 4.006 4.777 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
378 1 14 ARG H 1 16 GLU H 5.600 . 6.000 4.333 4.102 4.575 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
379 1 14 ARG HA 1 17 PHE HB2 2.500 . 3.300 2.431 1.925 2.793 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
380 1 14 ARG HA 1 14 ARG QB 2.300 . 3.000 2.132 1.947 2.230 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
381 1 14 ARG HA 1 14 ARG HG3 2.900 . 3.900 3.012 2.603 3.441 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
382 1 14 ARG HA 1 14 ARG HG3 2.400 . 3.100 2.053 1.928 2.080 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
383 1 14 ARG HA 1 15 GLN H 3.300 . 4.600 3.530 3.440 3.563 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
384 1 14 ARG QB 1 14 ARG QD 2.900 . 4.000 2.334 2.083 2.861 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
385 1 14 ARG QB 1 14 ARG QD 3.000 . 4.100 2.300 1.980 2.836 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
386 1 14 ARG QB 1 14 ARG HG3 2.600 . 3.400 2.290 2.154 2.393 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
387 1 14 ARG QB 1 15 GLN H 2.500 . 3.300 2.172 2.047 2.317 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
388 1 14 ARG QB 1 17 PHE HA 2.800 . 6.000 4.533 4.287 4.675 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
389 1 14 ARG QB 1 18 LEU MD2 3.100 . 4.300 2.221 1.837 2.644 0.063 19 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
390 1 14 ARG QB 1 18 LEU MD2 2.700 . 3.600 3.019 2.763 4.185 0.585 18 1 "[ . 1 . + 2 . 3 . 4 . 5]" 1
391 1 14 ARG QB 1 18 LEU HG 3.200 . 4.500 2.832 2.680 2.942 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
392 1 14 ARG QD 1 14 ARG HG3 2.200 . 2.800 2.046 1.933 2.131 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
393 1 14 ARG QD 1 14 ARG HG3 2.100 . 2.700 1.945 1.851 2.089 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
394 1 14 ARG HG2 1 15 GLN H 4.000 . 6.000 4.518 2.822 5.087 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
395 1 14 ARG HG2 1 15 GLN QG 3.700 . 5.400 3.510 2.792 3.964 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
396 1 14 ARG HG3 1 15 GLN HA 3.700 . 5.400 4.852 3.008 5.872 0.472 14 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
397 1 14 ARG HG3 1 15 GLN QG 3.600 . 5.200 4.057 2.328 4.815 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
398 1 14 ARG HG3 1 17 PHE QD 3.100 . 6.000 6.305 5.529 6.944 0.944 7 15 "[ **+* * ** .* *2 * 3 . ** 4 - .* *5]" 1
399 1 15 GLN H 1 15 GLN HA 2.400 . 3.100 2.821 2.785 2.900 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
400 1 15 GLN H 1 15 GLN QB 2.200 . 2.800 2.364 2.197 2.460 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
401 1 15 GLN H 1 15 GLN HE22 6.000 . 6.000 5.583 5.082 6.315 0.315 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
402 1 15 GLN H 1 15 GLN QG 2.900 . 3.300 2.370 2.094 2.748 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
403 1 15 GLN H 1 15 GLN QG 2.600 . 3.500 2.364 2.092 2.725 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
404 1 15 GLN H 1 16 GLU H 2.400 . 3.100 2.774 2.446 2.974 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
405 1 15 GLN H 1 18 LEU QD 3.900 . 5.800 4.062 3.873 4.309 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
406 1 15 GLN HA 1 15 GLN QG 2.800 . 3.800 2.385 2.273 2.773 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
407 1 15 GLN HA 1 15 GLN QG 3.000 . 4.100 2.279 2.102 2.640 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
408 1 15 GLN HA 1 16 GLU H 3.300 . 4.600 3.585 3.539 3.613 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
409 1 15 GLN HA 1 16 GLU HA 2.600 . 3.400 2.609 2.230 2.874 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
410 1 15 GLN HA 1 19 LEU MD1 2.200 . 2.800 2.874 2.347 3.299 0.499 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
411 1 15 GLN HA 1 17 PHE QB 3.700 . 5.400 3.583 1.933 4.103 0.067 49 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
412 1 15 GLN HA 1 18 LEU H 4.300 . 6.000 3.544 3.209 3.764 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
413 1 15 GLN HA 1 18 LEU QB 3.200 . 4.400 3.308 3.112 3.415 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
414 1 15 GLN HA 1 18 LEU QB 2.600 . 3.400 2.329 2.145 2.387 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
415 1 15 GLN HA 1 18 LEU QD 2.500 . 3.300 2.122 1.881 2.282 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
416 1 15 GLN HA 1 18 LEU QD 2.800 . 3.800 1.908 1.669 2.162 0.131 34 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
417 1 15 GLN HA 1 18 LEU QD 2.300 . 2.900 1.768 1.658 2.024 0.042 7 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
418 1 15 GLN HA 1 18 LEU HG 2.100 . 2.700 2.022 1.817 2.249 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
419 1 15 GLN HA 1 18 LEU HG 2.200 . 2.800 1.958 1.821 2.219 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
420 1 15 GLN HA 1 18 LEU HG 2.200 . 2.800 1.939 1.793 2.176 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
421 1 15 GLN HA 1 18 LEU HG 2.300 . 3.000 2.024 1.773 2.602 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
422 1 15 GLN HA 1 19 LEU H 4.400 . 6.000 3.872 3.677 4.061 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
423 1 15 GLN HA 1 22 LEU QD 3.100 . 4.300 2.826 2.025 4.091 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
424 1 15 GLN HA 1 42 VAL QG 2.800 . 3.800 3.033 2.507 3.512 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
425 1 15 GLN QB 1 42 VAL MG1 2.500 . 3.300 2.099 1.815 2.371 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
426 1 15 GLN QB 1 15 GLN HE21 4.500 . 6.000 2.853 1.817 3.751 0.083 34 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
427 1 15 GLN QB 1 15 GLN HE22 3.400 . 4.800 3.259 2.508 3.841 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
428 1 15 GLN QB 1 15 GLN QG 2.900 . 3.900 2.077 2.008 2.090 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
429 1 15 GLN QB 1 16 GLU H 2.900 . 4.000 2.527 2.264 2.867 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
430 1 15 GLN HB2 1 46 LEU MD2 2.300 . 3.000 1.816 1.707 1.925 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
431 1 15 GLN HB3 1 19 LEU QB 2.700 . 3.600 2.759 2.125 2.998 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
432 1 15 GLN HE21 1 15 GLN QG 2.900 . 3.900 2.324 2.158 2.793 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
433 1 15 GLN HE21 1 45 ILE MD 3.700 . 5.400 3.163 1.996 4.148 0.004 11 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
434 1 15 GLN HE21 1 45 ILE MD 3.700 . 5.400 3.189 1.998 4.178 0.002 11 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
435 1 15 GLN HE21 1 45 ILE MG 3.600 . 5.200 3.249 2.000 4.287 0.000 11 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
436 1 15 GLN HE22 1 45 ILE MD 3.000 . 4.100 2.664 1.944 3.693 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
437 1 15 GLN HE22 1 45 ILE MG 2.800 . 3.800 2.732 1.953 4.264 0.464 17 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
438 1 15 GLN QG 1 18 LEU MD1 2.700 . 3.600 2.984 2.549 3.535 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
439 1 15 GLN QG 1 18 LEU QD 3.200 . 4.400 2.633 1.782 2.928 0.218 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
440 1 15 GLN QG 1 18 LEU QD 3.600 . 5.200 2.689 1.782 3.009 0.218 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
441 1 15 GLN QG 1 18 LEU QD 3.500 . 5.000 2.534 2.031 3.254 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
442 1 15 GLN QG 1 18 LEU MD2 2.800 . 3.800 2.950 2.513 3.590 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
443 1 15 GLN QG 1 18 LEU QD 3.100 . 4.300 2.673 1.782 3.041 0.118 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
444 1 15 GLN QG 1 18 LEU QD 3.000 . 4.100 2.711 1.784 3.082 0.116 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
445 1 15 GLN QG 1 18 LEU HG 3.100 . 4.300 3.361 2.752 4.307 0.007 18 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
446 1 15 GLN QG 1 18 LEU HG 4.000 . 6.000 3.640 2.080 4.344 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
447 1 15 GLN QG 1 18 LEU HG 3.900 . 5.800 3.509 2.090 4.114 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
448 1 15 GLN QG 1 46 LEU QB 3.000 . 4.100 2.973 1.571 3.545 0.329 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
449 1 15 GLN QG 1 19 LEU MD1 2.800 . 3.800 2.336 1.752 3.498 0.048 44 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
450 1 15 GLN QG 1 20 ASN HA 2.600 . 6.000 5.581 5.044 5.813 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
451 1 16 GLU H 1 16 GLU HA 2.500 . 3.300 2.842 2.806 2.895 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
452 1 16 GLU H 1 16 GLU QB 2.600 . 3.400 2.442 2.378 2.525 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
453 1 16 GLU H 1 16 GLU HB3 3.200 . 4.500 3.621 3.595 3.656 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
454 1 16 GLU H 1 16 GLU QG 3.100 . 3.800 2.361 2.109 2.585 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
455 1 16 GLU H 1 17 PHE H 2.300 . 2.900 2.525 2.346 2.650 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
456 1 16 GLU H 1 18 LEU H 5.900 . 6.000 4.494 4.335 4.732 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
457 1 16 GLU H 1 18 LEU QD 3.800 . 5.600 4.482 4.097 4.605 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
458 1 16 GLU H 1 18 LEU QD 3.700 . 5.400 3.996 3.781 4.249 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
459 1 16 GLU HA 1 16 GLU HB2 2.600 . 3.400 3.022 3.012 3.030 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
460 1 16 GLU HA 1 16 GLU QG 3.200 . 4.500 2.622 2.308 2.922 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
461 1 16 GLU HA 1 17 PHE H 3.700 . 5.400 3.457 3.394 3.501 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
462 1 16 GLU HA 1 18 LEU H 4.800 . 6.000 4.622 4.479 4.798 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
463 1 16 GLU HA 1 18 LEU QD 2.700 . 6.000 4.271 4.002 4.441 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
464 1 16 GLU HA 1 18 LEU QD 3.600 . 5.200 4.017 3.767 4.318 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
465 1 16 GLU HA 1 18 LEU QD 3.500 . 5.000 3.698 3.407 3.937 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
466 1 16 GLU HA 1 19 LEU H 3.000 . 4.100 3.224 2.958 3.560 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
467 1 16 GLU HA 1 19 LEU QB 2.300 . 3.000 1.739 1.548 1.837 0.052 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
468 1 16 GLU HA 1 19 LEU QD 2.000 . 2.500 1.801 1.714 1.909 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
469 1 16 GLU HA 1 19 LEU HG 3.600 . 5.200 4.525 3.157 4.938 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
470 1 16 GLU HA 1 19 LEU HG 4.100 . 6.000 3.907 3.052 4.410 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
471 1 16 GLU HA 1 19 LEU HG 2.900 . 4.000 2.362 1.975 3.172 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
472 1 16 GLU HA 1 20 ASN H 3.300 . 4.700 3.494 3.388 3.793 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
473 1 16 GLU QB 1 16 GLU QG 2.200 . 2.800 1.921 1.882 1.961 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
474 1 16 GLU QB 1 16 GLU QG 2.200 . 2.800 2.045 2.004 2.095 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
475 1 16 GLU HB2 1 16 GLU QG 2.100 . 2.600 2.220 2.151 2.329 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
476 1 16 GLU HB3 1 16 GLU QG 2.300 . 2.900 2.057 1.986 2.120 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
477 1 16 GLU HB3 1 17 PHE H 2.700 . 3.600 2.497 1.767 3.025 0.033 17 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
478 1 16 GLU HB3 1 20 ASN HA 3.400 . 6.000 6.071 5.779 6.197 0.197 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
479 1 16 GLU QG 1 17 PHE H 6.000 . 6.000 4.200 4.086 4.285 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
480 1 16 GLU QG 1 17 PHE H 4.200 . 6.000 3.789 3.657 3.861 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
481 1 16 GLU QG 1 18 LEU QD 3.500 . 6.000 5.205 4.908 5.454 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
482 1 16 GLU QG 1 46 LEU QD 3.000 . 4.100 2.176 1.835 2.531 0.065 7 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
483 1 16 GLU QG 1 46 LEU QD 3.600 . 5.300 2.342 1.907 3.062 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
484 1 17 PHE H 1 17 PHE HA 2.300 . 3.000 2.821 2.791 2.858 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
485 1 17 PHE H 1 17 PHE QB 1.900 . 2.400 2.164 2.055 2.221 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
486 1 17 PHE H 1 17 PHE QD 5.200 . 6.000 4.069 3.903 4.149 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
487 1 17 PHE H 1 18 LEU H 2.200 . 2.800 2.775 2.636 2.851 0.051 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
488 1 17 PHE H 1 19 LEU H 4.300 . 6.000 3.730 3.495 3.922 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
489 1 17 PHE H 1 19 LEU HA 4.000 . 6.000 4.917 4.832 4.999 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
490 1 17 PHE HA 1 17 PHE QB 2.300 . 2.900 2.469 2.428 2.497 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
491 1 17 PHE HA 1 17 PHE QD 2.500 . 3.300 3.074 2.910 3.125 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
492 1 17 PHE HA 1 17 PHE QE 2.500 . 6.000 4.592 4.483 4.656 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
493 1 17 PHE HA 1 18 LEU QD 2.600 . 3.400 3.022 2.304 3.306 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
494 1 17 PHE HA 1 18 LEU HG 2.400 . 3.100 2.287 1.839 2.765 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
495 1 17 PHE HA 1 19 LEU QB 2.400 . 3.100 2.381 2.315 2.469 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
496 1 17 PHE HA 1 20 ASN H 2.900 . 4.000 3.762 3.462 4.050 0.050 1 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
497 1 17 PHE HA 1 20 ASN QB 2.900 . 3.900 3.034 2.678 3.524 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
498 1 17 PHE HA 1 20 ASN HB2 2.900 . 4.000 3.182 2.118 3.766 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
499 1 17 PHE HA 1 20 ASN HB3 2.800 . 3.700 3.151 2.752 3.645 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
500 1 17 PHE HA 1 20 ASN HD22 5.400 . 6.000 6.390 5.673 6.911 0.911 41 22 "[ * . **-1*** **** * * . * * ** * 4+ * . * *5]" 1
501 1 17 PHE QB 1 18 LEU HG 3.900 . 5.800 3.372 3.142 3.702 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
502 1 17 PHE QB 1 17 PHE QD 2.100 . 2.600 2.118 2.097 2.139 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
503 1 17 PHE QB 1 17 PHE QE 3.100 . 4.300 3.922 3.905 3.937 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
504 1 17 PHE QB 1 18 LEU H 2.300 . 2.900 2.214 2.066 2.334 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
505 1 17 PHE QB 1 18 LEU QB 4.000 . 6.000 3.820 3.517 3.950 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
506 1 17 PHE QD 1 18 LEU H 4.700 . 6.000 3.637 3.272 3.836 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
507 1 17 PHE QD 1 18 LEU HA 2.600 . 3.400 3.332 3.032 3.560 0.160 17 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
508 1 17 PHE QD 1 18 LEU QB 3.600 . 5.200 4.108 3.417 4.417 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
509 1 17 PHE QD 1 18 LEU QD 3.300 . 6.000 4.812 4.298 5.049 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
510 1 17 PHE QD 1 18 LEU HG 4.300 . 6.000 5.189 4.680 6.069 0.069 34 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
511 1 17 PHE QE 1 18 LEU HA 2.600 . 6.000 5.298 4.836 5.651 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
512 1 18 LEU H 1 18 LEU HA 2.200 . 2.800 2.845 2.828 2.863 0.063 18 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
513 1 18 LEU H 1 18 LEU QB 3.000 . 4.100 2.739 2.361 2.826 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
514 1 18 LEU H 1 18 LEU HB3 2.100 . 2.700 2.067 1.908 2.263 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
515 1 18 LEU H 1 18 LEU QD 3.300 . 4.700 2.835 2.023 2.931 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
516 1 18 LEU H 1 18 LEU HG 2.700 . 3.600 1.956 1.787 3.697 0.097 34 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
517 1 18 LEU H 1 19 LEU H 2.200 . 2.800 2.511 2.395 2.586 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
518 1 18 LEU H 1 42 VAL QG 5.900 . 6.000 4.772 4.443 5.039 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
519 1 18 LEU HA 1 18 LEU QD 2.600 . 3.400 3.418 3.375 3.433 0.033 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
520 1 18 LEU HA 1 18 LEU QD 2.300 . 3.000 2.228 1.787 2.849 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
521 1 18 LEU HA 1 18 LEU HG 2.100 . 2.700 2.091 1.778 2.245 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
522 1 18 LEU HA 1 19 LEU H 3.000 . 4.200 3.486 3.450 3.514 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
523 1 18 LEU HA 1 20 ASN H 3.300 . 4.600 4.336 4.096 4.504 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
524 1 18 LEU HA 1 20 ASN H 4.600 . 6.000 4.151 3.975 4.273 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
525 1 18 LEU HA 1 21 SER H 2.800 . 3.800 2.579 2.476 2.642 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
526 1 18 LEU HA 1 22 LEU QD 3.300 . 4.700 3.069 2.168 3.221 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
527 1 18 LEU QB 1 18 LEU QD 2.200 . 2.800 1.907 1.887 1.935 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
528 1 18 LEU QB 1 18 LEU HG 1.500 . 2.200 1.463 1.456 1.470 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
529 1 18 LEU QB 1 18 LEU HG 1.600 . 2.200 1.561 1.548 1.569 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
530 1 18 LEU QB 1 18 LEU HG 1.600 . 2.200 1.637 1.620 1.646 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
531 1 18 LEU QB 1 19 LEU H 3.200 . 4.400 3.532 3.467 3.609 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
532 1 18 LEU QB 1 21 SER H 5.500 . 6.000 4.557 4.409 4.758 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
533 1 18 LEU HB2 1 22 LEU H 2.900 . 4.000 4.103 3.967 4.172 0.172 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
534 1 18 LEU MD1 1 18 LEU HG 1.700 . 2.200 1.863 1.852 1.891 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
535 1 18 LEU QD 1 19 LEU H 2.900 . 4.000 2.115 1.880 2.289 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
536 1 18 LEU QD 1 19 LEU QB 2.300 . 2.900 2.782 2.636 2.920 0.020 34 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
537 1 18 LEU QD 1 42 VAL H 5.000 . 6.000 3.702 3.498 3.921 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
538 1 18 LEU QD 1 19 LEU HG 3.700 . 5.400 4.433 3.838 5.040 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
539 1 18 LEU QD 1 19 LEU HG 3.600 . 5.200 3.118 2.071 4.285 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
540 1 18 LEU QD 1 20 ASN QB 3.900 . 5.800 5.442 5.129 5.598 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
541 1 18 LEU QD 1 22 LEU H 4.200 . 6.000 2.909 2.738 3.085 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
542 1 18 LEU QD 1 22 LEU QD 2.500 . 3.300 2.457 2.088 2.825 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
543 1 18 LEU HG 1 19 LEU H 2.200 . 2.800 2.134 2.083 2.171 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
544 1 19 LEU H 1 19 LEU HA 2.400 . 3.100 2.804 2.773 2.828 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
545 1 19 LEU H 1 19 LEU QB 2.300 . 3.000 2.209 2.146 2.245 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
546 1 19 LEU H 1 19 LEU QD 3.800 . 5.600 3.732 3.587 3.774 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
547 1 19 LEU H 1 19 LEU HG 3.700 . 5.400 4.415 4.260 4.536 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
548 1 19 LEU H 1 20 ASN H 2.300 . 2.900 2.715 2.601 2.827 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
549 1 19 LEU H 1 21 SER H 5.700 . 6.000 3.977 3.814 4.291 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
550 1 19 LEU H 1 42 VAL QG 3.200 . 4.500 3.560 3.249 3.850 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
551 1 19 LEU HA 1 19 LEU QB 2.200 . 2.800 2.138 1.871 2.256 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
552 1 19 LEU HA 1 19 LEU QD 2.300 . 3.000 1.765 1.550 1.923 0.050 45 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
553 1 19 LEU HA 1 19 LEU QD 3.500 . 5.000 2.599 1.958 2.929 0.042 29 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
554 1 19 LEU HA 1 19 LEU HG 2.200 . 2.800 2.167 1.865 2.469 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
555 1 19 LEU HA 1 19 LEU HG 2.300 . 2.900 2.371 2.010 3.216 0.316 29 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
556 1 19 LEU HA 1 19 LEU HG 2.300 . 3.000 2.106 1.845 2.494 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
557 1 19 LEU HA 1 20 ASN H 2.800 . 3.800 3.543 3.498 3.576 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
558 1 19 LEU HA 1 23 HIS H 4.600 . 6.000 3.689 3.560 3.854 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
559 1 19 LEU HA 1 22 LEU HG 2.000 . 2.500 2.047 1.772 2.341 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
560 1 19 LEU HA 1 23 HIS H 3.200 . 4.500 3.965 3.799 4.216 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
561 1 19 LEU HA 1 39 LEU HB3 2.800 . 3.800 2.439 2.390 2.490 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
562 1 19 LEU QB 1 19 LEU QD 1.700 . 2.200 1.423 1.401 1.456 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
563 1 19 LEU QB 1 19 LEU QD 1.800 . 2.200 1.649 1.620 1.705 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
564 1 19 LEU QB 1 19 LEU HG 2.400 . 3.100 2.078 1.574 2.337 0.126 17 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
565 1 19 LEU QB 1 19 LEU HG 2.000 . 2.500 1.969 1.837 2.016 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
566 1 19 LEU QB 1 20 ASN H . . 2.400 2.340 2.219 2.439 0.039 35 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
567 1 19 LEU QB 1 20 ASN QB 4.500 . 6.000 3.825 3.712 3.981 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
568 1 19 LEU QB 1 20 ASN HD21 5.100 . 6.000 4.733 3.966 4.990 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
569 1 19 LEU QB 1 21 SER H 5.200 . 6.000 4.372 4.237 4.651 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
570 1 19 LEU QD 1 39 LEU MD1 3.100 . 4.300 2.341 1.991 2.593 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
571 1 19 LEU QD 1 19 LEU HG 2.200 . 2.800 1.895 1.887 1.900 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
572 1 19 LEU QD 1 19 LEU HG 2.100 . 2.700 1.869 1.825 1.888 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
573 1 19 LEU QD 1 20 ASN H 4.400 . 6.000 3.363 3.047 3.853 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
574 1 19 LEU QD 1 20 ASN HB2 3.000 . 4.100 2.301 1.808 3.433 0.092 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
575 1 19 LEU QD 1 23 HIS HA 3.100 . 4.300 2.602 2.312 3.040 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
576 1 19 LEU QD 1 23 HIS HB2 3.200 . 4.500 2.641 1.841 4.110 0.059 30 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
577 1 19 LEU QD 1 43 GLN QG 3.000 . 4.100 2.166 1.782 2.774 0.118 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
578 1 19 LEU QD 1 43 GLN QG 2.900 . 3.900 2.322 1.950 3.055 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
579 1 19 LEU QD 1 43 GLN H 2.700 . 3.600 3.244 2.711 3.628 0.028 29 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
580 1 19 LEU QD 1 43 GLN HE21 2.900 . 3.900 3.006 2.052 3.988 0.088 11 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
581 1 19 LEU QD 1 43 GLN HE22 2.600 . 6.000 3.875 2.111 4.949 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
582 1 19 LEU QD 1 43 GLN HE22 3.600 . 5.200 3.831 2.105 4.844 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
583 1 19 LEU QD 1 44 ARG H 6.000 . 6.000 4.171 4.047 4.348 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
584 1 19 LEU HG 1 42 VAL MG1 3.300 . 4.700 3.184 2.079 4.524 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
585 1 19 LEU HG 1 20 ASN H 4.500 . 6.000 4.447 3.379 4.875 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
586 1 19 LEU HG 1 22 LEU QD 3.400 . 4.800 2.863 2.355 3.884 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
587 1 19 LEU HG 1 22 LEU QD 3.200 . 4.500 2.846 2.352 3.795 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
588 1 19 LEU HG 1 22 LEU QD 3.200 . 4.400 2.688 2.185 3.181 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
589 1 19 LEU HG 1 23 HIS HA 3.600 . 5.300 3.767 3.600 3.937 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
590 1 19 LEU HG 1 39 LEU QB 2.400 . 3.100 2.088 1.690 2.378 0.010 33 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
591 1 19 LEU HG 1 39 LEU HA 2.600 . 3.400 2.758 2.122 3.612 0.212 32 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
592 1 19 LEU HG 1 39 LEU QD 3.600 . 5.200 3.844 3.267 4.948 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
593 1 19 LEU HG 1 42 VAL QG 3.000 . 4.100 2.616 2.027 3.102 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
594 1 20 ASN H 1 20 ASN HA 2.200 . 2.800 2.793 2.763 2.821 0.021 25 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
595 1 20 ASN H 1 20 ASN HB2 2.700 . 3.600 2.611 2.305 3.300 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
596 1 20 ASN H 1 20 ASN QB 2.600 . 3.400 2.216 2.067 2.264 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
597 1 20 ASN H 1 20 ASN HB3 2.000 . 2.500 2.430 2.091 2.684 0.184 7 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
598 1 20 ASN H 1 20 ASN HD22 5.900 . 6.000 5.721 5.584 5.819 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
599 1 20 ASN H 1 21 SER H 2.200 . 2.800 2.713 2.582 2.825 0.025 15 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
600 1 20 ASN H 1 21 SER H 2.800 . 3.700 2.472 2.380 2.546 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
601 1 20 ASN HA 1 20 ASN HB2 2.200 . 2.800 2.415 2.234 2.553 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
602 1 20 ASN HA 1 20 ASN QB 2.900 . 3.900 2.322 2.156 2.420 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
603 1 20 ASN HA 1 20 ASN HB3 2.400 . 3.100 2.532 2.367 2.701 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
604 1 20 ASN HA 1 21 SER H 2.900 . 3.900 3.532 3.502 3.577 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
605 1 20 ASN HA 1 23 HIS H 3.000 . 4.100 3.612 3.361 3.878 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
606 1 20 ASN HA 1 23 HIS HB2 2.400 . 3.100 2.888 2.376 3.343 0.243 8 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
607 1 20 ASN HA 1 23 HIS QB 2.800 . 3.800 2.449 2.271 2.826 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
608 1 20 ASN HA 1 23 HIS HB3 3.100 . 4.300 2.986 2.357 4.308 0.008 15 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
609 1 20 ASN HA 1 23 HIS HD2 3.000 . 6.000 5.911 4.128 6.159 0.159 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
610 1 20 ASN HA 1 24 ARG H 3.400 . 4.800 4.269 3.793 4.605 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
611 1 20 ASN QB 1 20 ASN HD21 3.500 . 5.000 2.305 2.134 2.798 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
612 1 20 ASN QB 1 21 SER H 3.600 . 5.200 2.572 2.266 3.147 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
613 1 20 ASN HB2 1 20 ASN HD21 2.800 . 3.800 2.890 2.208 3.523 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
614 1 20 ASN HB2 1 21 SER H 3.200 . 4.500 3.906 3.547 4.168 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
615 1 20 ASN HB3 1 20 ASN HD21 3.100 . 4.300 2.925 2.158 3.526 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
616 1 20 ASN HB3 1 20 ASN HD22 3.100 . 4.300 3.800 3.433 4.085 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
617 1 20 ASN HB3 1 21 SER H 2.600 . 3.400 2.610 2.293 3.256 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
618 1 20 ASN HD21 1 24 ARG QB 3.400 . 4.800 4.948 4.011 5.258 0.458 33 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
619 1 20 ASN HD22 1 21 SER H 6.000 . 6.000 5.214 4.548 5.900 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
620 1 20 ASN HD22 1 24 ARG QB 3.500 . 5.100 4.560 3.836 5.030 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
621 1 21 SER H 1 21 SER HA 2.200 . 2.800 2.804 2.770 2.827 0.027 35 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
622 1 21 SER H 1 21 SER QB 2.100 . 2.600 2.423 2.191 2.674 0.074 19 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
623 1 21 SER H 1 22 LEU H 2.300 . 3.000 2.854 2.698 2.999 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
624 1 21 SER HA 1 22 LEU HG 2.900 . 3.900 3.045 2.782 3.195 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
625 1 21 SER HA 1 23 HIS H 3.400 . 4.800 3.300 3.226 3.370 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
626 1 21 SER HA 1 23 HIS HD2 3.400 . 4.900 4.990 4.761 5.139 0.239 25 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
627 1 21 SER HA 1 24 ARG HG2 2.300 . 3.000 2.160 1.830 2.441 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
628 1 21 SER QB 1 22 LEU H 2.500 . 3.300 2.389 2.142 3.326 0.026 35 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
629 1 22 LEU H 1 22 LEU HA 2.400 . 3.100 2.836 2.772 2.880 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
630 1 22 LEU H 1 22 LEU QB 2.400 . 3.100 2.633 2.423 2.778 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
631 1 22 LEU H 1 22 LEU QD 3.200 . 4.300 2.949 2.771 3.138 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
632 1 22 LEU H 1 22 LEU HG 2.300 . 3.000 1.991 1.641 2.525 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
633 1 22 LEU H 1 23 HIS H 2.400 . 3.100 2.596 2.462 2.728 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
634 1 22 LEU H 1 24 ARG H 4.900 . 6.000 4.224 3.974 4.478 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
635 1 22 LEU HA 1 35 LYS HG2 3.500 . 5.100 3.246 2.444 4.696 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
636 1 22 LEU HA 1 22 LEU QD 1.900 . 2.400 1.974 1.740 2.274 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
637 1 22 LEU HA 1 22 LEU HG 3.200 . 4.500 2.825 2.374 3.157 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
638 1 22 LEU HA 1 22 LEU HG 2.600 . 3.500 2.668 2.322 2.917 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
639 1 22 LEU HA 1 23 HIS H 2.600 . 3.500 3.449 3.379 3.496 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
640 1 22 LEU HA 1 25 ASP HB2 2.400 . 3.100 2.384 1.741 3.074 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
641 1 22 LEU HA 1 25 ASP HB3 3.500 . 5.000 3.410 2.130 4.440 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
642 1 22 LEU HA 1 35 LYS QG 3.700 . 5.400 3.242 2.444 4.682 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
643 1 22 LEU HB2 1 35 LYS HG2 2.600 . 3.400 2.023 1.463 2.397 0.337 22 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
644 1 22 LEU QB 1 22 LEU HG 2.200 . 2.800 2.443 2.387 2.472 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
645 1 22 LEU QB 1 22 LEU HG 2.500 . 3.300 2.420 2.361 2.447 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
646 1 22 LEU QB 1 22 LEU HG 2.300 . 3.000 2.412 2.346 2.441 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
647 1 22 LEU QB 1 23 HIS H 2.800 . 3.800 3.532 2.221 3.761 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
648 1 22 LEU QB 1 23 HIS HD2 3.800 . 5.600 5.186 3.315 6.118 0.518 8 1 "[ . + 1 . 2 . 3 . 4 . 5]" 1
649 1 22 LEU QB 1 26 LEU H 4.400 . 6.000 5.530 4.811 6.030 0.030 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
650 1 22 LEU HB2 1 35 LYS QE 3.300 . 4.600 2.918 1.581 3.378 0.419 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
651 1 22 LEU QB 1 39 LEU MD2 3.400 . 4.900 3.816 2.403 4.257 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
652 1 22 LEU HB2 1 25 ASP H 3.200 . 4.500 3.313 2.738 3.716 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
653 1 22 LEU HB2 1 35 LYS QE 3.400 . 4.900 2.946 1.600 3.397 0.300 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
654 1 22 LEU QD 1 39 LEU MD1 2.100 . 2.600 1.918 1.785 2.275 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
655 1 22 LEU QD 1 23 HIS H 3.900 . 5.200 2.556 2.155 3.781 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
656 1 22 LEU QD 1 23 HIS HA 2.200 . 2.800 2.130 1.813 2.617 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
657 1 22 LEU QD 1 23 HIS HA 2.400 . 3.100 1.871 1.725 2.317 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
658 1 22 LEU QD 1 23 HIS HA 2.200 . 2.800 2.228 1.839 3.725 0.925 35 1 "[ . 1 . 2 . 3 + 4 . 5]" 1
659 1 22 LEU QD 1 23 HIS HD2 2.500 . 3.300 2.039 1.629 2.859 0.071 3 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
660 1 22 LEU QD 1 37 GLU H 5.600 . 6.000 4.514 4.145 4.896 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
661 1 22 LEU QD 1 36 GLU H 3.600 . 5.300 3.510 2.964 4.031 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
662 1 22 LEU QD 1 39 LEU H 2.900 . 3.500 2.639 2.386 3.032 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
663 1 22 LEU QD 1 42 VAL QG 2.200 . 2.800 2.666 2.171 2.832 0.032 38 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
664 1 22 LEU HG 1 23 HIS H 2.600 . 3.400 2.965 2.461 3.771 0.371 29 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
665 1 22 LEU HG 1 23 HIS HB2 3.200 . 4.400 3.573 2.927 4.091 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
666 1 22 LEU HG 1 35 LYS HA 3.200 . 4.500 3.193 2.716 3.779 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
667 1 22 LEU HG 1 39 LEU QB 3.000 . 4.100 2.646 2.355 3.017 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
668 1 22 LEU HG 1 39 LEU HB3 3.000 . 4.100 2.657 2.360 3.049 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
669 1 22 LEU HG 1 39 LEU QD 2.600 . 6.000 4.820 4.404 5.251 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
670 1 23 HIS H 1 23 HIS HA 2.300 . 3.000 2.834 2.788 2.883 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
671 1 23 HIS H 1 23 HIS HB2 2.200 . 2.800 2.380 2.120 2.652 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
672 1 23 HIS H 1 23 HIS QB 2.500 . 3.300 2.230 2.083 2.312 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
673 1 23 HIS H 1 23 HIS HB3 2.800 . 3.800 2.911 2.459 3.576 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
674 1 23 HIS H 1 23 HIS HE1 5.600 . 6.000 6.003 5.464 6.176 0.176 39 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
675 1 23 HIS H 1 24 ARG H 2.300 . 3.000 2.602 2.392 2.834 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
676 1 23 HIS H 1 24 ARG HG2 4.900 . 6.000 3.987 3.236 4.700 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
677 1 23 HIS H 1 39 LEU QD 3.300 . 4.700 4.412 3.265 4.790 0.090 11 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
678 1 23 HIS HA 1 23 HIS HB2 2.500 . 3.300 2.665 2.436 2.996 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
679 1 23 HIS HA 1 23 HIS QB 2.500 . 3.300 2.432 2.339 2.519 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
680 1 23 HIS HA 1 23 HIS HD2 2.500 . 3.300 2.304 1.934 3.220 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
681 1 23 HIS HA 1 24 ARG H 2.800 . 3.800 3.529 3.472 3.569 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
682 1 23 HIS HA 1 26 LEU H 2.800 . 3.800 2.804 2.682 2.904 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
683 1 23 HIS HA 1 26 LEU H 3.800 . 5.600 3.622 3.146 4.134 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
684 1 23 HIS HA 1 36 GLU HA 2.400 . 3.100 2.966 2.948 2.982 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
685 1 23 HIS HA 1 36 GLU HA 2.300 . 2.900 2.982 2.963 2.998 0.098 16 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
686 1 23 HIS HA 1 39 LEU MD2 2.800 . 3.800 3.018 1.938 3.870 0.070 38 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
687 1 23 HIS HA 1 39 LEU HG 3.700 . 5.400 3.757 3.578 3.951 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
688 1 23 HIS QB 1 24 ARG H 3.300 . 4.700 2.658 2.395 2.894 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
689 1 23 HIS HB2 1 23 HIS HD2 2.800 . 3.800 3.476 3.082 3.749 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
690 1 23 HIS HB2 1 24 ARG H 2.700 . 3.600 3.542 2.751 3.977 0.377 14 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
691 1 23 HIS HB2 1 39 LEU QD 3.500 . 5.000 3.751 2.605 5.097 0.097 4 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
692 1 23 HIS HB3 1 23 HIS HD2 3.000 . 4.100 3.808 3.596 3.962 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
693 1 23 HIS HB3 1 39 LEU QD 3.800 . 5.600 4.563 3.836 5.276 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
694 1 23 HIS HD2 1 26 LEU MD2 3.600 . 5.200 4.815 2.544 5.738 0.538 15 3 "[ . 1 + 2 . 3 . * . - 5]" 1
695 1 23 HIS HD2 1 26 LEU HG 3.800 . 5.600 4.000 2.335 5.410 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
696 1 23 HIS HD2 1 39 LEU QB 3.300 . 4.600 4.071 2.439 4.671 0.071 50 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
697 1 23 HIS HD2 1 39 LEU QD 2.500 . 3.300 2.463 1.644 3.015 0.056 35 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
698 1 23 HIS HD2 1 39 LEU HG 3.100 . 6.000 5.349 4.543 6.032 0.032 19 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
699 1 24 ARG H 1 24 ARG HA 2.200 . 2.800 2.864 2.816 2.891 0.091 29 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
700 1 24 ARG H 1 24 ARG QB 2.100 . 2.700 2.463 2.158 2.755 0.055 37 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
701 1 24 ARG H 1 24 ARG QD 3.200 . 4.500 3.917 3.485 4.483 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
702 1 24 ARG H 1 24 ARG HG2 2.600 . 3.500 2.771 1.882 4.014 0.514 33 1 "[ . 1 . 2 . 3 + . 4 . 5]" 1
703 1 24 ARG H 1 24 ARG HG3 3.000 . 4.100 3.146 2.039 4.071 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
704 1 24 ARG H 1 25 ASP H 2.400 . 3.100 2.427 2.276 2.578 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
705 1 24 ARG HA 1 24 ARG QB 2.200 . 2.800 1.886 1.664 1.995 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
706 1 24 ARG HA 1 25 ASP H 3.400 . 4.900 3.401 3.271 3.483 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
707 1 24 ARG HA 1 26 LEU H 4.200 . 6.000 3.451 3.041 4.026 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
708 1 24 ARG HA 1 27 GLN H 3.000 . 4.200 3.586 2.825 4.287 0.087 37 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
709 1 24 ARG QB 1 24 ARG HG3 2.300 . 3.000 2.308 2.156 2.429 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
710 1 24 ARG QB 1 27 GLN HE21 3.000 . 6.000 4.408 2.772 6.033 0.033 11 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
711 1 24 ARG QD 1 24 ARG HG3 2.200 . 2.800 2.031 1.928 2.163 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
712 1 24 ARG HG2 1 25 ASP H 4.400 . 6.000 4.050 2.636 5.243 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
713 1 25 ASP H 1 25 ASP HA 2.400 . 3.100 2.852 2.719 2.937 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
714 1 25 ASP H 1 25 ASP HA 2.800 . 3.800 2.729 2.627 2.791 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
715 1 25 ASP H 1 25 ASP HB2 2.400 . 3.100 2.373 2.076 2.591 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
716 1 25 ASP H 1 25 ASP HB3 3.000 . 4.200 3.253 2.549 3.635 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
717 1 25 ASP H 1 26 LEU H 2.700 . 3.600 2.557 2.216 2.974 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
718 1 25 ASP HA 1 25 ASP HB2 2.600 . 3.500 2.844 2.498 3.023 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
719 1 25 ASP HA 1 26 LEU H 2.900 . 4.000 3.355 2.965 3.540 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
720 1 25 ASP HA 1 27 GLN H 4.400 . 6.000 3.757 3.131 4.909 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
721 1 25 ASP HB2 1 26 LEU H 3.100 . 4.300 3.576 2.752 4.447 0.147 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
722 1 25 ASP HB2 1 26 LEU HG 3.300 . 4.600 4.169 3.269 5.468 0.868 42 5 "[ . 1 .** 2 . 3 . * + . - 5]" 1
723 1 25 ASP HB3 1 26 LEU H 3.400 . 4.800 3.662 2.491 4.298 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
724 1 25 ASP HB3 1 30 ILE QG 2.900 . 6.000 5.227 4.473 5.818 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
725 1 26 LEU H 1 26 LEU HA 2.300 . 3.000 2.905 2.807 2.951 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
726 1 26 LEU H 1 26 LEU QB 2.300 . 2.900 2.464 2.342 2.923 0.023 24 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
727 1 26 LEU H 1 26 LEU MD1 3.400 . 4.800 3.695 1.998 4.098 0.002 37 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
728 1 26 LEU H 1 26 LEU MD2 3.400 . 4.800 3.459 1.925 4.140 0.075 24 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
729 1 26 LEU H 1 26 LEU HG 2.300 . 3.000 2.530 1.852 3.056 0.056 47 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
730 1 26 LEU HA 1 26 LEU QB 2.200 . 2.800 1.995 1.894 2.110 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
731 1 26 LEU HA 1 26 LEU MD2 2.700 . 3.600 2.140 1.889 3.576 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
732 1 26 LEU HA 1 27 GLN H 2.700 . 3.600 3.276 2.790 3.560 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
733 1 26 LEU HA 1 27 GLN QG 3.500 . 5.100 3.864 1.863 5.017 0.037 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
734 1 26 LEU HA 1 30 ILE H 4.900 . 6.000 4.344 3.421 5.156 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
735 1 26 LEU QB 1 26 LEU MD2 2.200 . 2.800 2.165 1.637 2.333 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
736 1 26 LEU QB 1 27 GLN H 3.500 . 5.000 3.236 2.300 4.019 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
737 1 26 LEU QD 1 36 GLU HA 2.900 . 4.000 2.156 1.971 2.358 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
738 1 26 LEU MD1 1 27 GLN H 4.700 . 6.000 3.973 2.308 4.391 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
739 1 26 LEU MD1 1 36 GLU HA 2.500 . 3.300 2.181 1.984 2.376 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
740 1 26 LEU MD1 1 38 ARG H 3.400 . 6.000 5.641 4.837 6.066 0.066 30 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
741 1 26 LEU MD2 1 35 LYS QD 3.100 . 4.300 3.813 2.600 4.403 0.103 37 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
742 1 26 LEU MD2 1 35 LYS QG 3.300 . 4.600 3.178 2.373 4.223 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
743 1 26 LEU MD2 1 35 LYS HG3 2.200 . 2.800 2.110 2.048 2.129 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
744 1 26 LEU HG 1 39 LEU MD1 3.200 . 4.500 3.297 2.918 3.612 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
745 1 26 LEU HG 1 27 GLN H 3.900 . 5.800 4.568 3.775 5.096 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
746 1 27 GLN H 1 27 GLN HA 2.500 . 3.300 2.848 2.248 2.951 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
747 1 27 GLN H 1 27 GLN QB 2.500 . 3.300 2.674 2.212 3.304 0.004 30 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
748 1 27 GLN H 1 27 GLN QG 2.600 . 3.500 2.571 1.882 3.627 0.127 10 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
749 1 27 GLN H 1 28 GLY H 3.300 . 4.700 4.452 2.826 4.667 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
750 1 27 GLN HA 1 27 GLN QG 3.000 . 4.100 2.705 2.322 3.469 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
751 1 27 GLN HA 1 27 GLN QG 3.000 . 4.200 2.319 2.121 2.807 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
752 1 27 GLN HA 1 28 GLY H 2.600 . 3.400 2.407 2.141 3.508 0.108 30 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
753 1 27 GLN HA 1 29 GLY H 5.000 . 6.000 3.845 3.006 6.044 0.044 3 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
754 1 27 GLN HA 1 30 ILE QG 3.300 . 4.600 4.375 3.677 4.609 0.009 15 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
755 1 27 GLN HA 1 30 ILE QG 3.000 . 4.100 3.709 3.469 3.876 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
756 1 27 GLN QB 1 27 GLN HE21 3.600 . 5.200 2.919 1.714 3.999 0.286 11 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
757 1 27 GLN QB 1 28 GLY H 3.000 . 4.100 2.548 1.792 3.675 0.108 47 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
758 1 27 GLN HB2 1 28 GLY HA3 2.400 . 3.100 2.239 2.112 2.302 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
759 1 27 GLN HE21 1 27 GLN QG 2.700 . 3.600 2.347 2.144 2.828 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
760 1 27 GLN HE22 1 27 GLN QG 3.600 . 5.200 3.316 3.209 3.500 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
761 1 27 GLN QG 1 28 GLY H 5.200 . 6.000 3.823 3.064 4.721 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
762 1 28 GLY H 1 28 GLY QA 2.600 . 3.400 2.288 2.189 2.446 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
763 1 28 GLY H 1 29 GLY H 4.000 . 6.000 2.559 1.932 4.505 0.068 38 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
764 1 28 GLY H 1 30 ILE H 4.900 . 6.000 3.939 2.332 5.171 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
765 1 29 GLY H 1 29 GLY HA2 2.200 . 2.800 2.427 2.296 2.952 0.152 47 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
766 1 29 GLY H 1 29 GLY HA3 2.600 . 3.500 2.873 2.339 2.961 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
767 1 29 GLY H 1 30 ILE H 2.800 . 3.800 2.393 1.983 3.909 0.109 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
768 1 29 GLY HA2 1 30 ILE H 2.800 . 3.800 2.614 2.146 2.780 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
769 1 29 GLY HA3 1 30 ILE H 2.900 . 3.900 3.408 3.017 3.554 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
770 1 30 ILE H 1 30 ILE HB 2.500 . 3.300 2.650 2.442 3.586 0.286 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
771 1 30 ILE H 1 30 ILE MD 3.200 . 4.500 3.432 2.996 4.090 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
772 1 30 ILE H 1 30 ILE MD 2.900 . 3.900 3.167 2.429 3.560 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
773 1 30 ILE H 1 30 ILE QG 2.600 . 3.400 2.392 1.706 3.060 0.294 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
774 1 30 ILE H 1 30 ILE MG 3.500 . 5.100 3.773 2.568 3.915 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
775 1 30 ILE H 1 31 LYS H 5.000 . 6.000 4.436 4.224 4.585 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
776 1 30 ILE HA 1 30 ILE MD 2.100 . 2.600 1.828 1.652 2.199 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
777 1 30 ILE HA 1 30 ILE QG 2.600 . 3.500 2.073 1.656 2.465 0.044 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
778 1 30 ILE HA 1 31 LYS H 2.000 . 2.500 2.180 2.101 2.484 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
779 1 30 ILE HB 1 31 LYS H 3.100 . 4.300 4.052 2.299 4.344 0.044 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
780 1 30 ILE HB 1 32 ASP QB 3.100 . 4.300 3.085 1.573 3.704 0.327 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
781 1 30 ILE MD 1 30 ILE QG 2.100 . 2.700 1.889 1.885 1.893 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
782 1 30 ILE MD 1 30 ILE QG 2.000 . 2.500 1.766 1.763 1.768 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
783 1 30 ILE MG 1 31 LYS H 2.800 . 3.700 2.694 2.148 3.657 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
784 1 31 LYS H 1 31 LYS HA 2.400 . 3.100 2.929 2.884 2.950 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
785 1 31 LYS H 1 31 LYS QB 2.400 . 3.100 2.507 2.236 3.023 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
786 1 31 LYS H 1 31 LYS QG 3.400 . 4.800 3.067 1.987 4.199 0.013 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
787 1 31 LYS HA 1 31 LYS QG 2.900 . 4.000 2.626 2.331 3.360 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
788 1 31 LYS HA 1 32 ASP H 1.900 . 2.400 2.298 2.114 2.700 0.300 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
789 1 31 LYS QB 1 31 LYS QG 2.200 . 2.800 2.065 1.988 2.090 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
790 1 31 LYS QB 1 32 ASP H 3.100 . 4.300 3.811 3.274 4.037 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
791 1 31 LYS QD 1 31 LYS QE 3.200 . 4.500 1.977 1.910 2.055 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
792 1 31 LYS QD 1 31 LYS QE 1.900 . 2.400 1.879 1.803 1.940 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
793 1 31 LYS QE 1 31 LYS HG3 3.000 . 4.200 2.043 1.964 2.189 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
794 1 31 LYS QE 1 31 LYS QG 3.400 . 4.800 2.373 2.114 2.836 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
795 1 31 LYS QG 1 32 ASP H 5.100 . 6.000 4.259 3.444 4.925 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
796 1 32 ASP H 1 32 ASP HA 2.600 . 3.500 2.930 2.846 2.947 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
797 1 32 ASP H 1 32 ASP QB 2.800 . 3.800 2.591 2.386 2.903 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
798 1 32 ASP H 1 33 LEU H 3.900 . 5.800 4.201 2.777 4.507 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
799 1 32 ASP H 1 33 LEU HA 2.500 . 6.000 4.711 4.137 5.378 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
800 1 32 ASP H 1 33 LEU QD 3.000 . 4.100 3.791 2.557 4.172 0.072 14 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
801 1 32 ASP HA 1 32 ASP QB 2.600 . 3.500 2.392 2.185 2.511 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
802 1 32 ASP HA 1 33 LEU H 2.100 . 2.600 2.179 2.112 2.701 0.101 3 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
803 1 32 ASP HA 1 33 LEU QD 2.700 . 6.000 3.547 2.721 4.365 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
804 1 32 ASP HA 1 34 SER H 4.500 . 6.000 3.571 3.233 4.299 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
805 1 32 ASP QB 1 33 LEU H 4.500 . 6.000 3.741 3.374 3.925 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
806 1 32 ASP QB 1 35 LYS H 3.900 . 5.800 3.597 2.678 4.290 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
807 1 33 LEU H 1 33 LEU HA 2.700 . 3.600 2.928 2.802 2.956 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
808 1 33 LEU H 1 33 LEU QB 2.200 . 2.800 2.451 2.287 2.712 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
809 1 33 LEU H 1 33 LEU QB 2.200 . 2.800 2.025 1.902 2.136 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
810 1 33 LEU H 1 33 LEU QD 4.100 . 6.000 2.725 1.937 3.465 0.063 3 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
811 1 33 LEU H 1 34 SER H 2.900 . 3.900 2.124 1.889 2.628 0.011 31 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
812 1 33 LEU HA 1 33 LEU QB 2.400 . 3.100 2.166 1.978 2.312 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
813 1 33 LEU HA 1 34 SER H 2.800 . 3.800 3.391 3.233 3.537 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
814 1 33 LEU HA 1 36 GLU H 3.200 . 4.500 3.430 2.969 4.123 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
815 1 33 LEU HA 1 37 GLU H 4.200 . 6.000 4.140 3.768 4.430 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
816 1 33 LEU QB 1 33 LEU MD1 1.900 . 2.400 2.052 1.956 2.344 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
817 1 33 LEU QB 1 34 SER H 3.000 . 4.100 3.024 2.029 3.412 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
818 1 33 LEU QB 1 34 SER H 2.500 . 3.300 2.357 1.925 3.008 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
819 1 33 LEU QB 1 34 SER HB2 2.400 . 3.100 2.830 1.871 3.083 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
820 1 34 SER H 1 34 SER HA 2.300 . 2.900 2.837 2.785 2.906 0.006 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
821 1 34 SER H 1 34 SER QB 2.200 . 2.800 2.399 2.216 2.687 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
822 1 34 SER H 1 35 LYS H 2.400 . 3.100 2.597 2.286 2.826 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
823 1 34 SER H 1 36 GLU H 4.400 . 6.000 3.889 3.566 4.345 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
824 1 34 SER H 1 36 GLU H 3.600 . 5.200 3.748 3.458 4.117 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
825 1 34 SER H 1 37 GLU QB 3.900 . 5.800 5.534 5.021 5.933 0.133 35 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
826 1 34 SER HA 1 34 SER QB 2.100 . 2.700 2.338 2.181 2.443 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
827 1 34 SER HA 1 34 SER QB 2.000 . 2.500 2.182 1.969 2.292 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
828 1 34 SER HA 1 35 LYS H 3.300 . 4.700 3.544 3.442 3.574 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
829 1 34 SER HA 1 36 GLU H 4.500 . 6.000 4.066 3.678 4.335 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
830 1 34 SER HA 1 36 GLU H 2.700 . 3.600 3.351 2.684 3.628 0.028 8 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
831 1 34 SER HA 1 36 GLU QB 3.100 . 4.300 3.193 2.384 4.055 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
832 1 34 SER HA 1 37 GLU H 3.400 . 4.900 3.580 2.753 4.017 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
833 1 34 SER HA 1 37 GLU HB2 2.500 . 3.300 2.711 2.300 3.002 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
834 1 34 SER HA 1 37 GLU HG3 3.500 . 4.500 2.831 2.101 3.243 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
835 1 34 SER HA 1 38 ARG H 4.700 . 6.000 4.271 3.910 4.628 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
836 1 34 SER QB 1 35 LYS H 3.000 . 4.100 2.683 2.266 3.436 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
837 1 34 SER HB3 1 35 LYS HG3 2.600 . 3.400 2.989 2.695 3.073 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
838 1 35 LYS H 1 35 LYS HA 2.600 . 3.400 2.827 2.781 2.879 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
839 1 35 LYS H 1 35 LYS HB2 2.500 . 3.300 2.416 2.090 2.799 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
840 1 35 LYS H 1 35 LYS HB3 3.600 . 5.300 3.531 2.946 3.640 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
841 1 35 LYS H 1 35 LYS QD 3.200 . 4.500 2.760 1.998 4.078 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
842 1 35 LYS H 1 35 LYS QG 3.400 . 4.800 2.784 1.908 4.011 0.092 49 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
843 1 35 LYS H 1 36 GLU H 2.500 . 3.300 2.575 2.423 2.749 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
844 1 35 LYS HA 1 35 LYS HB2 2.100 . 2.700 1.915 1.892 1.984 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
845 1 35 LYS HA 1 35 LYS QD 3.000 . 4.200 2.404 1.983 3.392 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
846 1 35 LYS HA 1 35 LYS QG 2.500 . 3.300 2.714 2.076 3.239 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
847 1 35 LYS HA 1 35 LYS QG 2.500 . 3.300 2.500 2.046 2.787 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
848 1 35 LYS HA 1 36 GLU H 3.300 . 4.700 3.418 3.370 3.460 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
849 1 35 LYS HA 1 38 ARG H 2.800 . 3.700 3.022 2.768 3.203 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
850 1 35 LYS HA 1 39 LEU H 3.900 . 5.800 3.656 3.432 3.923 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
851 1 35 LYS HB2 1 36 GLU HA 2.600 . 3.400 3.589 3.420 3.854 0.454 9 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
852 1 35 LYS HB2 1 39 LEU MD2 2.700 . 3.600 3.853 3.352 4.279 0.679 42 11 "[ .*-* 1** . * ** . * 3 . 4 +* . 5]" 1
853 1 35 LYS HB3 1 36 GLU H 3.600 . 5.200 3.728 2.827 4.155 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
854 1 35 LYS HB3 1 37 GLU H 4.600 . 6.000 5.823 5.032 6.067 0.067 45 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
855 1 35 LYS QD 1 35 LYS QG 2.300 . 3.000 2.075 1.989 2.093 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
856 1 35 LYS QE 1 35 LYS QG 2.800 . 3.800 2.289 2.088 2.877 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
857 1 36 GLU H 1 36 GLU HA 2.700 . 3.600 2.841 2.798 2.883 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
858 1 36 GLU H 1 36 GLU HA 2.200 . 2.800 2.468 2.442 2.489 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
859 1 36 GLU H 1 36 GLU QG 3.800 . 5.600 3.731 2.181 4.037 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
860 1 36 GLU H 1 38 ARG QB 3.100 . 4.300 4.406 4.208 4.495 0.195 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
861 1 36 GLU HA 1 36 GLU QG 2.800 . 3.800 2.512 2.325 3.004 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
862 1 36 GLU HA 1 37 GLU H 3.600 . 5.200 3.553 3.515 3.586 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
863 1 36 GLU HA 1 39 LEU H 3.800 . 5.600 3.452 3.042 3.896 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
864 1 36 GLU HA 1 39 LEU MD2 2.200 . 2.800 1.935 1.662 2.174 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
865 1 36 GLU HA 1 39 LEU HB3 2.400 . 3.100 2.471 2.407 2.525 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
866 1 36 GLU HA 1 39 LEU MD2 2.600 . 3.500 1.943 1.665 2.192 0.035 12 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
867 1 36 GLU HA 1 39 LEU HG 2.300 . 2.900 2.334 1.940 2.638 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
868 1 36 GLU QB 1 38 ARG H 2.500 . 3.300 2.197 2.104 2.268 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
869 1 36 GLU QB 1 39 LEU MD2 4.100 . 6.000 3.449 2.959 3.925 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
870 1 36 GLU HB3 1 38 ARG H 2.500 . 3.300 2.704 2.309 3.180 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
871 1 36 GLU QG 1 39 LEU MD2 3.600 . 5.200 2.616 1.951 3.239 0.049 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
872 1 36 GLU QG 1 39 LEU H 5.700 . 6.000 5.119 4.691 5.778 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
873 1 36 GLU HG2 1 37 GLU H 3.700 . 5.400 2.739 1.874 3.621 0.126 17 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
874 1 36 GLU HG2 1 40 TRP HE3 2.900 . 6.000 4.361 3.739 4.649 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
875 1 36 GLU HG3 1 40 TRP H 3.700 . 5.400 3.911 3.804 4.176 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
876 1 37 GLU H 1 37 GLU HA 2.700 . 3.600 2.828 2.800 2.865 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
877 1 37 GLU H 1 37 GLU QB 2.200 . 2.800 2.461 2.312 2.572 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
878 1 37 GLU H 1 37 GLU HG2 2.600 . 3.400 2.761 1.989 3.502 0.102 49 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
879 1 37 GLU H 1 38 ARG H 2.200 . 2.800 2.542 2.443 2.627 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
880 1 37 GLU H 1 38 ARG H 2.300 . 3.000 2.268 2.219 2.319 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
881 1 37 GLU H 1 38 ARG QB 3.800 . 5.600 4.348 4.158 4.603 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
882 1 37 GLU HA 1 37 GLU QB 2.500 . 3.300 2.347 2.181 2.435 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
883 1 37 GLU HA 1 37 GLU HG2 2.900 . 4.000 2.890 2.427 3.830 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
884 1 37 GLU HA 1 37 GLU HG3 2.600 . 3.400 2.430 2.354 2.504 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
885 1 37 GLU HA 1 37 GLU HG3 2.500 . 3.300 2.172 2.132 2.314 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
886 1 37 GLU HA 1 38 ARG H 3.000 . 4.100 3.452 3.402 3.483 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
887 1 37 GLU HA 1 40 TRP H 2.700 . 3.600 3.625 3.451 3.727 0.127 39 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
888 1 37 GLU HA 1 40 TRP QB 2.600 . 3.400 3.024 2.716 3.323 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
889 1 37 GLU HA 1 40 TRP HD1 3.200 . 6.000 5.211 4.827 5.366 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
890 1 37 GLU QB 1 38 ARG H 3.100 . 4.300 2.938 2.680 3.648 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
891 1 37 GLU HB3 1 39 LEU H 4.600 . 6.000 5.254 4.684 5.667 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
892 1 37 GLU HB3 1 40 TRP H 5.000 . 6.000 4.602 4.421 4.786 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
893 1 38 ARG H 1 38 ARG HA 2.700 . 3.600 2.859 2.836 2.886 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
894 1 38 ARG H 1 38 ARG QB 2.300 . 3.000 2.243 2.183 2.333 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
895 1 38 ARG H 1 38 ARG QG 3.100 . 4.300 3.333 2.495 4.069 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
896 1 38 ARG H 1 39 LEU H 2.000 . 2.500 2.551 2.459 2.618 0.118 3 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
897 1 38 ARG H 1 41 GLU H 3.500 . 5.000 4.500 4.260 4.807 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
898 1 38 ARG HA 1 39 LEU H 3.500 . 5.100 3.565 3.542 3.584 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
899 1 38 ARG HA 1 40 TRP H 4.600 . 6.000 4.025 3.864 4.183 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
900 1 38 ARG HA 1 41 GLU QB 2.400 . 3.100 2.102 1.720 2.297 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
901 1 38 ARG HA 1 42 VAL H 3.200 . 4.500 3.328 3.169 3.406 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
902 1 38 ARG HA 1 42 VAL MG2 3.400 . 4.800 3.621 3.316 3.961 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
903 1 38 ARG QB 1 39 LEU H 2.500 . 3.300 2.528 2.233 2.984 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
904 1 38 ARG QB 1 40 TRP H 5.400 . 6.000 4.571 4.402 4.749 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
905 1 38 ARG HB3 1 41 GLU H 3.200 . 4.500 4.670 4.504 4.788 0.288 1 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
906 1 39 LEU H 1 39 LEU HA 2.300 . 3.000 2.812 2.786 2.833 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
907 1 39 LEU H 1 39 LEU QB 2.100 . 2.600 2.516 2.428 2.635 0.035 47 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
908 1 39 LEU H 1 39 LEU QD 3.000 . 4.100 3.033 2.918 3.111 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
909 1 39 LEU H 1 39 LEU HG 2.000 . 2.500 2.356 2.133 2.536 0.036 12 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
910 1 39 LEU H 1 40 TRP H 2.300 . 3.000 2.653 2.530 2.757 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
911 1 39 LEU H 1 40 TRP H 2.300 . 3.000 2.264 2.187 2.343 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
912 1 39 LEU H 1 40 TRP QB 6.000 . 6.000 4.465 4.303 4.587 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
913 1 39 LEU H 1 42 VAL QG 5.400 . 6.000 4.147 3.929 4.411 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
914 1 39 LEU HA 1 39 LEU QB 2.400 . 3.100 2.055 1.926 2.116 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
915 1 39 LEU HA 1 39 LEU QD 2.900 . 4.000 3.395 3.352 3.415 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
916 1 39 LEU HA 1 40 TRP H 2.800 . 3.800 3.509 3.473 3.545 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
917 1 39 LEU HA 1 42 VAL H 2.900 . 4.000 3.598 3.214 3.837 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
918 1 39 LEU HA 1 43 GLN H 4.000 . 6.000 3.967 3.730 4.204 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
919 1 39 LEU HB2 1 39 LEU MD1 2.200 . 2.800 1.900 1.883 1.915 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
920 1 39 LEU QB 1 39 LEU QD 2.500 . 3.300 1.885 1.869 1.900 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
921 1 39 LEU QB 1 40 TRP H 2.700 . 3.600 3.522 3.447 3.591 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
922 1 39 LEU HB2 1 40 TRP HD1 3.400 . 6.000 5.948 5.643 6.066 0.066 1 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
923 1 39 LEU HB2 1 41 GLU H 4.200 . 6.000 5.601 5.464 5.774 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
924 1 39 LEU MD1 1 42 VAL MG1 3.500 . 5.000 4.238 3.923 4.596 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
925 1 39 LEU QD 1 39 LEU HG 2.000 . 2.500 1.895 1.892 1.898 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
926 1 39 LEU QD 1 40 TRP H 3.200 . 4.500 2.523 2.257 2.780 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
927 1 39 LEU QD 1 43 GLN HB3 3.500 . 5.000 3.952 3.649 4.254 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
928 1 39 LEU QD 1 43 GLN QG 3.700 . 5.400 4.584 3.847 4.858 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
929 1 39 LEU MD1 1 40 TRP HA 3.200 . 4.500 2.505 2.340 2.663 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
930 1 39 LEU MD1 1 40 TRP HD1 2.900 . 4.000 3.163 3.041 3.317 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
931 1 39 LEU MD1 1 40 TRP HE1 3.600 . 5.200 5.273 5.172 5.339 0.139 15 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
932 1 39 LEU MD1 1 42 VAL QG 3.300 . 4.700 4.391 4.057 4.836 0.136 37 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
933 1 39 LEU MD1 1 43 GLN H 4.900 . 6.000 4.516 4.067 4.834 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
934 1 39 LEU MD1 1 43 GLN HE21 3.000 . 4.100 3.378 2.368 4.159 0.059 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
935 1 39 LEU MD1 1 43 GLN HE22 2.900 . 4.000 3.398 2.671 4.164 0.164 1 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
936 1 39 LEU HG 1 40 TRP H 2.200 . 2.800 2.312 2.109 2.703 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
937 1 39 LEU HG 1 40 TRP HD1 4.300 . 6.000 5.428 5.030 5.762 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
938 1 39 LEU HG 1 40 TRP HD1 4.100 . 6.000 5.136 4.899 5.370 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
939 1 40 TRP H 1 40 TRP HA 2.200 . 2.800 2.847 2.823 2.865 0.065 34 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
940 1 40 TRP H 1 40 TRP QB 2.000 . 2.500 2.255 2.203 2.290 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
941 1 40 TRP H 1 40 TRP HD1 3.200 . 4.500 4.535 4.492 4.584 0.084 30 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
942 1 40 TRP H 1 40 TRP HE3 6.000 . 6.000 5.193 5.114 5.250 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
943 1 40 TRP H 1 41 GLU H 2.100 . 2.700 2.458 2.352 2.579 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
944 1 40 TRP H 1 42 VAL H 4.800 . 6.000 4.352 4.035 4.608 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
945 1 40 TRP H 1 43 GLN HB2 4.500 . 6.000 5.018 4.632 5.430 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
946 1 40 TRP HA 1 40 TRP QB 2.200 . 2.800 2.446 2.423 2.471 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
947 1 40 TRP HA 1 40 TRP HD1 2.000 . 2.500 2.309 1.983 2.496 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
948 1 40 TRP HA 1 40 TRP HE1 4.500 . 6.000 4.521 4.431 4.579 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
949 1 40 TRP HA 1 40 TRP HE3 2.300 . 6.000 4.942 4.794 5.162 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
950 1 40 TRP HA 1 43 GLN H 2.800 . 3.800 3.332 3.168 3.476 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
951 1 40 TRP HA 1 43 GLN HB2 3.100 . 4.300 3.020 2.682 3.325 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
952 1 40 TRP HA 1 43 GLN HB3 2.600 . 3.400 2.324 2.076 2.650 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
953 1 40 TRP HA 1 43 GLN QG 4.000 . 6.000 4.155 3.474 4.566 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
954 1 40 TRP HA 1 44 ARG H 5.300 . 6.000 3.759 3.539 4.080 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
955 1 40 TRP QB 1 40 TRP HD1 2.500 . 3.300 2.886 2.787 3.089 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
956 1 40 TRP QB 1 40 TRP HE3 2.600 . 3.400 2.425 2.384 2.500 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
957 1 40 TRP QB 1 41 GLU H 2.500 . 3.300 2.803 2.674 2.941 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
958 1 40 TRP HD1 1 43 GLN HB2 4.000 . 6.000 4.192 3.719 4.500 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
959 1 40 TRP HD1 1 43 GLN HB2 3.500 . 5.000 3.711 2.872 4.016 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
960 1 40 TRP HD1 1 43 GLN HB3 3.100 . 4.300 3.295 2.688 3.523 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
961 1 40 TRP HD1 1 44 ARG QB 3.400 . 4.900 4.898 4.420 5.006 0.106 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
962 1 40 TRP HE1 1 40 TRP HZ3 5.200 . 6.000 4.665 3.757 5.758 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
963 1 40 TRP HE1 1 43 GLN HA 5.100 . 6.000 5.594 5.184 6.051 0.051 3 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
964 1 40 TRP HE1 1 43 GLN HB2 4.400 . 6.000 6.053 5.827 6.129 0.129 12 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
965 1 40 TRP HE1 1 43 GLN HB3 4.700 . 6.000 4.758 4.563 4.828 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
966 1 40 TRP HE1 1 44 ARG QB 3.700 . 5.400 4.609 4.367 4.974 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
967 1 40 TRP HE1 1 44 ARG QD 4.800 . 6.000 5.783 5.106 6.071 0.071 24 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
968 1 40 TRP HE3 1 41 GLU H 3.600 . 5.200 4.704 4.396 5.252 0.052 11 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
969 1 41 GLU H 1 41 GLU QB 2.100 . 2.600 2.239 2.183 2.296 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
970 1 41 GLU H 1 41 GLU QG 3.500 . 5.000 3.985 3.938 4.065 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
971 1 41 GLU H 1 42 VAL H 2.400 . 3.100 2.757 2.560 2.973 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
972 1 41 GLU H 1 42 VAL HA 3.700 . 5.400 5.315 5.169 5.441 0.041 11 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
973 1 41 GLU H 1 42 VAL QG 4.700 . 6.000 3.744 3.526 4.182 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
974 1 41 GLU H 1 42 VAL QG 3.200 . 4.500 3.509 3.335 3.772 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
975 1 41 GLU HA 1 41 GLU QG 2.700 . 3.600 2.619 2.386 3.020 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
976 1 41 GLU HA 1 42 VAL QG 2.900 . 4.000 3.781 3.624 4.003 0.003 45 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
977 1 41 GLU HA 1 44 ARG H 4.200 . 6.000 3.699 3.256 3.995 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
978 1 41 GLU HA 1 44 ARG HG2 2.100 . 2.600 1.885 1.608 2.042 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
979 1 41 GLU HA 1 44 ARG HG2 2.000 . 2.500 1.894 1.609 2.054 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
980 1 41 GLU HA 1 45 ILE H 3.700 . 5.400 4.424 3.895 4.680 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
981 1 41 GLU QB 1 42 VAL H 2.800 . 3.800 2.309 2.139 2.569 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
982 1 41 GLU QB 1 42 VAL QG 2.800 . 3.800 3.045 2.627 3.803 0.003 45 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
983 1 41 GLU QG 1 45 ILE MD 2.900 . 4.000 2.518 2.172 2.930 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
984 1 42 VAL H 1 42 VAL HA 2.500 . 3.300 2.817 2.780 2.848 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
985 1 42 VAL H 1 42 VAL HB 2.600 . 3.400 3.080 2.461 3.610 0.210 18 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
986 1 42 VAL H 1 42 VAL QG 2.200 . 2.800 1.922 1.718 2.165 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
987 1 42 VAL H 1 43 GLN HB3 2.900 . 6.000 4.924 4.786 5.079 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
988 1 42 VAL HA 1 42 VAL HB 2.600 . 3.500 2.567 2.342 3.032 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
989 1 42 VAL HA 1 42 VAL QG 2.200 . 2.800 2.269 2.124 2.435 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
990 1 42 VAL HA 1 43 GLN H 2.800 . 3.800 3.509 3.464 3.555 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
991 1 42 VAL HA 1 44 ARG H 5.100 . 6.000 4.486 4.311 4.694 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
992 1 42 VAL HA 1 45 ILE H 2.800 . 3.800 3.447 3.171 3.787 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
993 1 42 VAL HA 1 46 LEU H 3.800 . 5.600 3.329 3.179 3.401 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
994 1 42 VAL HA 1 45 ILE HB 2.300 . 3.000 2.715 2.143 3.055 0.055 28 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
995 1 42 VAL HA 1 45 ILE MD 2.500 . 3.300 2.502 2.037 3.165 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
996 1 42 VAL HA 1 45 ILE MD 2.600 . 3.400 2.477 2.028 3.092 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
997 1 42 VAL HA 1 45 ILE HG12 4.200 . 6.000 4.737 4.141 5.394 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
998 1 42 VAL HA 1 45 ILE MG 3.700 . 5.400 3.692 3.390 4.060 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
999 1 42 VAL HA 1 46 LEU H 3.200 . 4.500 3.956 3.546 4.266 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1000 1 42 VAL HB 1 42 VAL QG 2.000 . 2.500 1.892 1.889 1.896 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1001 1 42 VAL QG 1 43 GLN H 2.600 . 3.500 2.472 2.148 3.188 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1002 1 42 VAL QG 1 46 LEU H 2.700 . 6.000 4.097 3.435 4.714 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1003 1 43 GLN H 1 43 GLN HA 2.300 . 3.000 2.817 2.780 2.848 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1004 1 43 GLN H 1 43 GLN HB2 2.200 . 2.800 2.495 2.372 2.586 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1005 1 43 GLN H 1 43 GLN HB3 2.100 . 2.700 2.571 2.444 2.692 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1006 1 43 GLN H 1 43 GLN QG 3.500 . 4.700 3.973 3.940 4.056 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1007 1 43 GLN H 1 44 ARG H 2.100 . 2.600 2.669 2.606 2.717 0.117 1 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1008 1 43 GLN H 1 44 ARG HG2 5.400 . 6.000 4.268 3.989 4.657 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1009 1 43 GLN H 1 44 ARG HG3 5.900 . 6.000 4.385 4.085 4.872 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1010 1 43 GLN H 1 46 LEU H 5.400 . 6.000 4.880 4.672 5.087 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1011 1 43 GLN H 1 46 LEU QB 5.100 . 6.000 5.848 5.052 6.052 0.052 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1012 1 43 GLN HA 1 44 ARG H 2.200 . 2.800 2.728 2.701 2.754 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1013 1 43 GLN HA 1 46 LEU QD 2.200 . 2.800 1.828 1.733 1.939 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1014 1 43 GLN HB2 1 43 GLN HE21 3.400 . 4.900 2.025 1.625 2.353 0.275 1 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1015 1 43 GLN HB2 1 43 GLN HE22 4.100 . 6.000 3.664 3.277 4.003 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1016 1 43 GLN HB2 1 44 ARG H 4.100 . 6.000 3.275 3.193 3.359 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1017 1 43 GLN HB3 1 44 ARG H 3.000 . 4.100 2.454 2.305 2.606 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1018 1 43 GLN HE21 1 43 GLN QG 3.400 . 3.900 2.514 2.195 2.825 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1019 1 43 GLN HE22 1 43 GLN QG 3.300 . 4.600 3.395 3.284 3.498 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1020 1 43 GLN QG 1 47 THR HB 3.200 . 4.500 2.928 2.355 3.235 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1021 1 44 ARG H 1 44 ARG HA 2.700 . 3.600 2.836 2.802 2.870 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1022 1 44 ARG H 1 44 ARG QB 2.100 . 2.600 2.446 2.262 2.603 0.003 6 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1023 1 44 ARG H 1 44 ARG HD3 6.000 . 6.000 4.318 3.951 4.791 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1024 1 44 ARG H 1 44 ARG HG2 2.500 . 3.300 2.340 2.096 2.673 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1025 1 44 ARG H 1 44 ARG HG3 3.000 . 4.100 3.548 3.310 4.001 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1026 1 44 ARG H 1 45 ILE H 2.300 . 3.000 2.576 2.426 2.690 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1027 1 44 ARG H 1 46 LEU H 4.700 . 6.000 4.504 4.240 4.611 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1028 1 44 ARG H 1 47 THR H 4.700 . 6.000 4.772 4.627 4.871 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1029 1 44 ARG HA 1 44 ARG QB 2.300 . 3.000 1.939 1.927 2.016 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1030 1 44 ARG HA 1 45 ILE H 2.900 . 3.900 3.490 3.446 3.532 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1031 1 44 ARG HA 1 47 THR H 3.200 . 4.500 3.175 3.039 3.256 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1032 1 44 ARG HA 1 48 ALA H 3.800 . 5.600 3.682 3.473 3.866 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1033 1 44 ARG QB 1 44 ARG HD2 2.900 . 4.000 2.381 2.232 2.506 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1034 1 44 ARG QB 1 44 ARG QD 3.200 . 4.500 2.196 2.087 2.381 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1035 1 44 ARG QB 1 44 ARG HD3 3.400 . 4.900 2.762 2.253 3.296 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1036 1 44 ARG QB 1 45 ILE H 2.800 . 3.800 3.582 3.474 3.658 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1037 1 44 ARG HB2 1 44 ARG QD 3.200 . 4.500 2.646 2.280 3.185 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1038 1 44 ARG QD 1 44 ARG HG3 3.200 . 4.500 2.339 2.285 2.404 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1039 1 44 ARG HD2 1 44 ARG HG2 2.800 . 3.700 2.763 2.387 3.019 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1040 1 44 ARG HD2 1 44 ARG HG3 3.000 . 4.100 2.685 2.368 3.019 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1041 1 44 ARG HD3 1 44 ARG HG2 2.500 . 3.300 2.449 2.350 2.531 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1042 1 44 ARG HD3 1 44 ARG HG3 2.800 . 3.800 2.766 2.389 3.018 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1043 1 44 ARG HG2 1 45 ILE H 2.700 . 3.600 2.653 2.042 2.954 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1044 1 44 ARG HG3 1 45 ILE HG13 1.800 . 2.200 1.741 1.725 1.753 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1045 1 45 ILE H 1 45 ILE HA 2.400 . 3.100 2.850 2.829 2.883 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1046 1 45 ILE H 1 45 ILE HB 2.100 . 2.600 2.480 2.414 2.538 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1047 1 45 ILE H 1 45 ILE MD 3.300 . 4.700 3.658 3.573 3.752 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1048 1 45 ILE H 1 45 ILE MD 3.700 . 5.400 3.307 3.264 3.352 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1049 1 45 ILE H 1 45 ILE HG12 3.100 . 4.300 3.558 3.424 3.703 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1050 1 45 ILE H 1 45 ILE HG13 2.400 . 3.100 2.311 2.171 2.486 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1051 1 45 ILE H 1 45 ILE MG 3.400 . 4.900 3.772 3.751 3.791 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1052 1 45 ILE H 1 46 LEU H 2.400 . 3.100 2.737 2.605 2.829 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1053 1 45 ILE HA 1 45 ILE HB 2.400 . 3.100 3.023 3.016 3.029 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1054 1 45 ILE HA 1 46 LEU H 3.100 . 4.300 3.590 3.547 3.616 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1055 1 45 ILE HA 1 48 ALA H 3.400 . 4.800 3.217 3.154 3.241 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1056 1 45 ILE HA 1 48 ALA H 2.700 . 3.600 3.644 3.526 3.688 0.088 13 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1057 1 45 ILE HA 1 49 LEU H 3.400 . 4.800 3.861 3.638 4.206 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1058 1 45 ILE HB 1 46 LEU H 2.200 . 2.800 2.381 2.260 2.546 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1059 1 45 ILE MG 1 46 LEU H 2.800 . 3.700 3.080 2.910 3.204 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1060 1 45 ILE MG 1 46 LEU H 3.300 . 4.700 2.694 2.593 2.760 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1061 1 45 ILE MG 1 48 ALA H 5.400 . 6.000 4.131 3.985 4.594 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1062 1 45 ILE MG 1 49 LEU H 3.100 . 4.300 3.595 3.487 3.723 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1063 1 46 LEU H 1 46 LEU HA 2.300 . 3.000 2.810 2.785 2.831 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1064 1 46 LEU H 1 46 LEU QB 2.300 . 2.900 2.549 2.424 2.609 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1065 1 46 LEU H 1 46 LEU HG 2.400 . 3.100 2.165 1.980 2.460 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1066 1 46 LEU H 1 47 THR H 2.300 . 3.000 2.694 2.609 2.867 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1067 1 46 LEU HA 1 46 LEU QD 2.100 . 2.700 1.998 1.786 2.103 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1068 1 46 LEU HA 1 50 LYS H 3.800 . 5.600 3.317 3.227 3.390 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1069 1 46 LEU QB 1 47 THR H 2.700 . 3.600 3.431 2.212 3.596 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1070 1 46 LEU QD 1 47 THR H 5.100 . 6.000 2.504 2.129 4.036 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1071 1 46 LEU HG 1 47 THR H 3.100 . 4.300 2.598 2.125 4.307 0.007 17 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1072 1 46 LEU HG 1 48 ALA H 4.200 . 6.000 4.258 4.052 4.621 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1073 1 47 THR H 1 47 THR HA 2.200 . 2.800 2.828 2.783 2.851 0.051 13 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1074 1 47 THR H 1 47 THR HB 2.100 . 2.600 2.533 2.441 2.618 0.018 44 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1075 1 47 THR H 1 47 THR MG 3.200 . 4.400 3.769 3.743 3.784 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1076 1 47 THR H 1 48 ALA H 2.300 . 2.900 2.734 2.607 2.923 0.023 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1077 1 47 THR H 1 48 ALA MB 3.700 . 5.400 4.401 4.275 4.579 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1078 1 47 THR HA 1 47 THR MG 2.100 . 2.600 2.392 2.327 2.446 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1079 1 47 THR HA 1 48 ALA H 2.900 . 4.000 3.580 3.555 3.597 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1080 1 47 THR HA 1 49 LEU H 4.800 . 6.000 4.442 4.216 4.699 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1081 1 47 THR HA 1 50 LYS H 2.700 . 3.600 2.754 2.720 2.779 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1082 1 47 THR HA 1 51 ARG H 3.600 . 5.300 3.322 3.241 3.370 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1083 1 47 THR HB 1 47 THR MG 2.000 . 2.500 2.136 2.130 2.140 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1084 1 47 THR HB 1 48 ALA H 2.200 . 2.800 2.387 2.185 2.660 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1085 1 47 THR MG 1 48 ALA H 3.000 . 4.100 3.276 3.091 3.463 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1086 1 47 THR MG 1 51 ARG H 3.700 . 5.400 4.379 3.964 4.647 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1087 1 47 THR MG 1 51 ARG QD 3.000 . 4.100 3.772 2.989 4.218 0.118 45 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1088 1 48 ALA H 1 48 ALA HA 2.400 . 3.100 2.811 2.779 2.832 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1089 1 48 ALA H 1 48 ALA MB 1.900 . 2.400 2.239 2.218 2.262 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1090 1 48 ALA H 1 49 LEU H 2.200 . 2.800 2.664 2.561 2.817 0.017 49 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1091 1 48 ALA H 1 49 LEU HA 3.100 . 6.000 5.250 5.149 5.376 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1092 1 48 ALA H 1 49 LEU QB 4.500 . 6.000 4.160 4.002 4.311 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1093 1 48 ALA HA 1 48 ALA MB 2.100 . 2.600 2.128 2.123 2.131 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1094 1 48 ALA HA 1 49 LEU H 3.100 . 4.300 3.518 3.476 3.562 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1095 1 48 ALA HA 1 50 LYS H 5.400 . 6.000 4.862 4.732 5.043 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1096 1 48 ALA HA 1 51 ARG H 2.700 . 3.600 2.759 2.696 2.821 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1097 1 48 ALA MB 1 49 LEU H 2.400 . 3.100 2.611 2.352 2.773 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1098 1 48 ALA MB 1 51 ARG H 3.400 . 4.800 4.417 3.751 4.748 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1099 1 49 LEU H 1 49 LEU HA 2.300 . 2.900 2.811 2.774 2.857 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1100 1 49 LEU H 1 49 LEU QB 2.100 . 2.600 2.236 2.200 2.269 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1101 1 49 LEU H 1 49 LEU QD 3.700 . 5.400 3.679 3.611 3.726 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1102 1 49 LEU H 1 49 LEU MD2 4.700 . 6.000 4.262 4.217 4.301 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1103 1 49 LEU H 1 49 LEU HG 3.400 . 4.800 4.508 4.470 4.548 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1104 1 49 LEU H 1 50 LYS H 2.400 . 3.100 2.839 2.673 2.973 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1105 1 49 LEU H 1 50 LYS QD 3.900 . 5.800 5.738 5.171 5.884 0.084 43 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1106 1 49 LEU H 1 51 ARG H 5.300 . 6.000 4.018 3.804 4.272 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1107 1 49 LEU H 1 52 LYS QD 4.200 . 6.000 4.924 3.882 6.064 0.064 14 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1108 1 49 LEU HA 1 49 LEU QB 2.100 . 2.600 2.375 2.349 2.402 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1109 1 49 LEU HA 1 49 LEU QD 2.300 . 3.000 2.024 1.922 2.113 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1110 1 49 LEU HA 1 49 LEU HG 3.100 . 4.300 3.037 2.927 3.107 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1111 1 49 LEU HA 1 51 ARG H 2.600 . 6.000 4.333 4.081 4.646 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1112 1 49 LEU HA 1 52 LYS H 3.700 . 5.400 3.769 3.496 4.212 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1113 1 49 LEU QB 1 49 LEU HG 2.300 . 2.900 2.381 2.352 2.413 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1114 1 49 LEU QB 1 50 LYS H 2.900 . 3.900 2.290 2.155 2.491 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1115 1 49 LEU MD1 1 52 LYS H 4.400 . 6.000 4.268 3.378 4.760 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1116 1 49 LEU MD2 1 49 LEU HG 2.400 . 3.100 2.129 2.125 2.134 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1117 1 49 LEU MD2 1 50 LYS H 3.400 . 4.800 4.000 3.749 4.267 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1118 1 49 LEU HG 1 50 LYS H 3.000 . 4.100 3.641 3.409 3.848 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1119 1 49 LEU HG 1 50 LYS HA 2.900 . 4.000 3.603 3.359 3.878 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1120 1 49 LEU HG 1 53 LEU HA 3.000 . 4.100 3.840 3.327 4.139 0.039 14 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1121 1 49 LEU HG 1 53 LEU QB 2.300 . 2.900 2.953 2.824 3.031 0.131 25 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1122 1 50 LYS H 1 50 LYS HA 2.200 . 2.800 2.813 2.796 2.831 0.031 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1123 1 50 LYS H 1 50 LYS QB 2.500 . 3.300 2.529 2.394 2.638 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1124 1 50 LYS H 1 50 LYS QD 3.400 . 4.900 3.735 3.471 3.893 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1125 1 50 LYS H 1 50 LYS QG 3.300 . 4.600 2.138 1.980 2.387 0.020 5 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1126 1 50 LYS H 1 51 ARG H 2.200 . 2.800 2.640 2.572 2.715 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1127 1 50 LYS H 1 52 LYS H 4.600 . 6.000 4.451 4.125 4.697 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1128 1 50 LYS HA 1 50 LYS QB 1.900 . 2.400 2.174 2.164 2.185 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1129 1 50 LYS HA 1 50 LYS QD 2.200 . 2.800 2.578 2.160 2.913 0.113 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1130 1 50 LYS HA 1 50 LYS QG 2.600 . 3.500 3.355 3.336 3.375 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1131 1 50 LYS HA 1 51 ARG H 2.600 . 3.400 3.470 3.447 3.515 0.115 2 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1132 1 50 LYS HA 1 52 LYS H 4.400 . 6.000 4.688 4.352 4.942 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1133 1 50 LYS HA 1 53 LEU H 2.700 . 3.600 3.537 3.311 3.674 0.074 19 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1134 1 50 LYS HB2 1 51 ARG H 2.100 . 2.700 2.365 2.266 2.481 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1135 1 50 LYS QD 1 50 LYS QE 2.100 . 2.600 2.071 2.011 2.093 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1136 1 50 LYS QE 1 50 LYS QG 2.800 . 3.800 2.186 2.127 2.353 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1137 1 50 LYS QE 1 51 ARG HG2 2.800 . 3.800 3.349 2.891 3.912 0.112 19 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1138 1 51 ARG H 1 51 ARG HA 2.200 . 2.800 2.838 2.788 2.877 0.077 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1139 1 51 ARG H 1 51 ARG QB 2.600 . 3.400 2.385 2.281 2.514 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1140 1 51 ARG H 1 51 ARG QD 3.800 . 5.600 3.705 3.224 4.395 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1141 1 51 ARG H 1 51 ARG HG2 2.400 . 3.100 2.376 2.017 3.323 0.223 14 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1142 1 51 ARG H 1 51 ARG HG3 3.300 . 4.700 3.619 2.540 3.940 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1143 1 51 ARG H 1 52 LYS H 2.200 . 2.800 2.662 2.440 2.858 0.058 22 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1144 1 51 ARG H 1 52 LYS QG 6.000 . 6.000 5.439 3.945 6.072 0.072 35 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1145 1 51 ARG H 1 55 GLU QG 3.800 . 5.600 4.906 3.846 5.504 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1146 1 51 ARG HA 1 51 ARG QD 2.600 . 3.400 2.188 1.847 3.666 0.266 14 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1147 1 51 ARG HA 1 53 LEU H 3.200 . 4.500 3.215 3.008 3.425 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1148 1 51 ARG HA 1 54 ARG H 3.500 . 5.000 3.623 3.234 4.064 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1149 1 51 ARG HA 1 55 GLU H 3.400 . 4.800 3.240 2.672 3.893 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1150 1 51 ARG QB 1 53 LEU H 3.500 . 5.100 3.337 2.808 3.821 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1151 1 51 ARG HG2 1 52 LYS H 3.000 . 4.100 2.607 1.893 3.123 0.007 22 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1152 1 52 LYS H 1 52 LYS HA 2.700 . 3.600 2.860 2.780 2.918 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1153 1 52 LYS H 1 52 LYS HB3 3.100 . 4.300 3.360 2.508 3.626 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1154 1 52 LYS H 1 52 LYS QD 2.300 . 3.000 2.636 1.895 3.191 0.191 28 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1155 1 52 LYS H 1 52 LYS QG 3.300 . 4.600 3.259 1.960 3.861 0.040 45 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1156 1 52 LYS HB3 1 52 LYS QG 2.900 . 3.900 2.221 2.154 2.482 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1157 1 53 LEU H 1 53 LEU HA 2.300 . 2.900 2.904 2.793 2.943 0.043 2 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1158 1 53 LEU H 1 53 LEU QB 2.200 . 2.800 2.346 2.078 2.546 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1159 1 53 LEU H 1 53 LEU MD1 3.600 . 5.300 3.992 2.468 4.308 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1160 1 53 LEU H 1 54 ARG H 2.400 . 3.100 2.346 1.936 2.763 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1161 1 53 LEU HA 1 54 ARG H 2.400 . 3.100 2.778 2.722 2.807 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1162 1 53 LEU HA 1 56 ALA MB 3.000 . 4.100 3.897 3.342 4.213 0.113 14 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1163 1 53 LEU QB 1 54 ARG H 2.500 . 3.300 2.722 1.926 3.314 0.014 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1164 1 53 LEU QB 1 56 ALA H 5.900 . 6.000 4.561 4.173 5.156 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1165 1 53 LEU QD 1 54 ARG H 3.200 . 4.500 4.060 3.150 4.371 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1166 1 53 LEU QD 1 56 ALA H 3.900 . 5.800 5.525 4.766 5.837 0.037 30 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1167 1 54 ARG H 1 54 ARG HA 2.300 . 2.900 2.925 2.861 2.946 0.046 3 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1168 1 54 ARG H 1 54 ARG QB 2.200 . 2.800 2.424 2.273 2.811 0.011 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1169 1 54 ARG H 1 55 GLU H 2.300 . 2.900 2.256 1.959 2.512 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1170 1 54 ARG HA 1 54 ARG QB 2.500 . 3.300 2.356 2.151 2.421 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1171 1 54 ARG HA 1 55 GLU H 2.400 . 3.100 2.775 2.739 2.812 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1172 1 54 ARG HA 1 56 ALA H 2.500 . 3.300 3.026 2.553 3.420 0.120 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1173 1 54 ARG QB 1 55 GLU H 3.400 . 4.900 2.615 2.106 3.609 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1174 1 54 ARG QG 1 55 GLU H 3.200 . 4.500 3.650 2.260 4.366 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1175 1 55 GLU H 1 55 GLU HB2 2.500 . 3.300 2.797 2.442 3.754 0.454 25 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1176 1 55 GLU H 1 55 GLU HB3 2.500 . 6.000 3.531 2.885 3.705 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1177 1 55 GLU H 1 55 GLU QG 2.900 . 3.600 2.100 1.756 2.354 0.044 45 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1178 1 55 GLU H 1 56 ALA H 2.400 . 3.100 2.611 2.138 3.170 0.070 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1179 1 55 GLU HA 1 55 GLU HB2 2.700 . 3.600 2.928 2.437 3.025 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1180 1 55 GLU HA 1 55 GLU HB3 2.200 . 2.800 2.397 2.336 2.489 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1181 1 55 GLU HA 1 55 GLU QG 2.900 . 3.900 3.009 2.367 3.347 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1182 1 55 GLU HB2 1 56 ALA H 3.900 . 5.800 3.684 2.632 4.455 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1183 1 55 GLU HB3 1 56 ALA H 4.000 . 6.000 4.354 3.867 4.631 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1184 1 56 ALA H 1 56 ALA HA 2.300 . 3.000 2.852 2.243 2.946 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1185 1 56 ALA H 1 56 ALA MB 2.400 . 3.100 2.438 2.227 2.917 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1186 1 56 ALA HA 1 56 ALA MB 2.100 . 2.700 2.129 2.117 2.136 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
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