NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
636465 |
5zgg   |
36172 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5zgg
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 930
_Distance_constraint_stats_list.Viol_count 1826
_Distance_constraint_stats_list.Viol_total 3449.903
_Distance_constraint_stats_list.Viol_max 0.607
_Distance_constraint_stats_list.Viol_rms 0.0965
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0371
_Distance_constraint_stats_list.Viol_average_violations_only 0.1889
_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 1 THR 1.515 0.415 9 0 "[ . 1]"
1 2 ARG 2.732 0.229 7 0 "[ . 1]"
1 3 GLY 2.123 0.415 9 0 "[ . 1]"
1 4 THR 2.916 0.285 6 0 "[ . 1]"
1 5 THR 8.675 0.607 2 5 "[*+* -* 1]"
1 6 ASP 6.402 0.319 2 0 "[ . 1]"
1 7 ASN 4.348 0.285 6 0 "[ . 1]"
1 8 LEU 3.146 0.221 2 0 "[ . 1]"
1 9 ILE 8.504 0.607 2 5 "[*+* -* 1]"
1 10 PRO 0.000 0.000 . 0 "[ . 1]"
1 11 VAL 7.017 0.598 3 2 "[- + . 1]"
1 12 TYR 7.633 0.598 3 2 "[- + . 1]"
1 13 CYS 0.846 0.130 9 0 "[ . 1]"
1 14 SER 14.003 0.474 6 0 "[ . 1]"
1 15 ILE 16.002 0.518 3 4 "[ + .* *-1]"
1 16 LEU 11.988 0.450 7 0 "[ . 1]"
1 17 ALA 18.603 0.555 2 10 [*+***-****]
1 18 ALA 21.287 0.560 6 10 [*****+**-*]
1 19 VAL 10.185 0.358 2 0 "[ . 1]"
1 20 VAL 16.319 0.555 2 10 [*+***-****]
1 21 VAL 14.451 0.560 6 10 [****-+****]
1 22 GLY 3.391 0.325 9 0 "[ . 1]"
1 23 LEU 16.218 0.372 9 0 "[ . 1]"
1 24 VAL 12.527 0.456 9 0 "[ . 1]"
1 25 ALA 7.026 0.372 9 0 "[ . 1]"
1 26 TYR 30.168 0.442 9 0 "[ . 1]"
1 27 ILE 13.154 0.360 9 0 "[ . 1]"
1 28 ALA 13.331 0.456 9 0 "[ . 1]"
1 29 PHE 8.165 0.330 9 0 "[ . 1]"
1 30 LYS 23.101 0.463 9 0 "[ . 1]"
1 31 ARG 15.411 0.360 9 0 "[ . 1]"
1 32 TRP 14.354 0.557 6 4 "[ .+ -**]"
1 33 ASN 11.711 0.463 9 0 "[ . 1]"
1 34 SER 2.477 0.356 5 0 "[ . 1]"
2 1 THR 2.182 0.310 3 0 "[ . 1]"
2 2 ARG 2.431 0.305 2 0 "[ . 1]"
2 3 GLY 3.647 0.478 6 0 "[ . 1]"
2 4 THR 2.422 0.343 4 0 "[ . 1]"
2 5 THR 8.102 0.569 5 3 "[ + *-]"
2 6 ASP 7.254 0.478 6 0 "[ . 1]"
2 7 ASN 4.245 0.343 4 0 "[ . 1]"
2 8 LEU 3.021 0.243 5 0 "[ . 1]"
2 9 ILE 8.543 0.569 5 3 "[ + *-]"
2 10 PRO 0.000 0.000 . 0 "[ . 1]"
2 11 VAL 0.633 0.102 10 0 "[ . 1]"
2 12 TYR 3.694 0.216 3 0 "[ . 1]"
2 13 CYS 0.337 0.206 9 0 "[ . 1]"
2 14 SER 11.796 0.537 8 5 "[ **.* +-1]"
2 15 ILE 9.390 0.377 9 0 "[ . 1]"
2 16 LEU 9.961 0.462 7 0 "[ . 1]"
2 17 ALA 18.937 0.537 8 10 [*******+-*]
2 18 ALA 13.488 0.573 6 10 [*****+***-]
2 19 VAL 9.835 0.377 9 0 "[ . 1]"
2 20 VAL 14.110 0.534 5 10 [**-*+*****]
2 21 VAL 14.461 0.573 6 10 [*****+***-]
2 22 GLY 3.859 0.353 9 0 "[ . 1]"
2 23 LEU 12.758 0.317 5 0 "[ . 1]"
2 24 VAL 14.603 0.486 6 0 "[ . 1]"
2 25 ALA 6.369 0.253 6 0 "[ . 1]"
2 26 TYR 27.742 0.514 6 3 "[ .+ *-1]"
2 27 ILE 11.795 0.388 9 0 "[ . 1]"
2 28 ALA 17.292 0.514 6 3 "[ .+ *-1]"
2 29 PHE 16.953 0.481 6 0 "[ . 1]"
2 30 LYS 16.496 0.311 9 0 "[ . 1]"
2 31 ARG 17.369 0.557 6 4 "[ .+ -**]"
2 32 TRP 11.961 0.393 9 0 "[ . 1]"
2 33 ASN 10.855 0.311 9 0 "[ . 1]"
2 34 SER 2.419 0.277 4 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 THR HA 1 2 ARG H . . 2.800 2.773 2.512 3.029 0.229 7 0 "[ . 1]" 1
2 1 1 THR HA 1 3 GLY H . . 5.500 3.953 3.735 4.227 . 0 0 "[ . 1]" 1
3 1 1 THR HA 1 5 THR H . . 5.500 5.437 5.266 5.602 0.102 9 0 "[ . 1]" 1
4 1 1 THR HB 1 2 ARG H . . 5.500 4.535 4.346 4.712 . 0 0 "[ . 1]" 1
5 1 1 THR MG 1 2 ARG H . . 5.500 4.195 3.924 4.499 . 0 0 "[ . 1]" 1
6 1 1 THR MG 1 3 GLY H . . 5.500 5.389 4.830 5.915 0.415 9 0 "[ . 1]" 1
7 1 2 ARG H 1 2 ARG HG2 . . 5.500 4.452 4.385 4.551 . 0 0 "[ . 1]" 1
8 1 2 ARG HA 1 3 GLY H . . 3.400 3.540 3.518 3.570 0.170 10 0 "[ . 1]" 1
9 1 2 ARG HB2 1 3 GLY H . . 5.500 4.078 4.013 4.162 . 0 0 "[ . 1]" 1
10 1 2 ARG HB3 1 3 GLY H . . 5.500 2.889 2.772 3.022 . 0 0 "[ . 1]" 1
11 1 2 ARG HG2 1 3 GLY H . . 5.500 3.919 3.727 4.187 . 0 0 "[ . 1]" 1
12 1 2 ARG HG2 1 6 ASP H . . 5.500 5.419 5.230 5.520 0.020 9 0 "[ . 1]" 1
13 1 2 ARG HG3 1 4 THR H . . 5.500 5.566 5.456 5.667 0.167 5 0 "[ . 1]" 1
14 1 3 GLY H 1 4 THR H . . 3.400 2.822 2.732 2.962 . 0 0 "[ . 1]" 1
15 1 3 GLY H 1 5 THR H . . 5.500 4.699 4.592 4.845 . 0 0 "[ . 1]" 1
16 1 3 GLY HA2 1 4 THR H . . 3.400 3.331 3.291 3.384 . 0 0 "[ . 1]" 1
17 1 3 GLY HA2 1 5 THR H . . 5.500 4.183 4.044 4.283 . 0 0 "[ . 1]" 1
18 1 3 GLY HA2 1 6 ASP H . . 5.500 4.693 4.477 4.838 . 0 0 "[ . 1]" 1
19 1 3 GLY HA3 1 4 THR H . . 5.500 3.330 3.236 3.411 . 0 0 "[ . 1]" 1
20 1 4 THR H 1 5 THR H . . 3.400 2.280 2.161 2.420 . 0 0 "[ . 1]" 1
21 1 4 THR HA 1 5 THR H . . 5.500 3.058 2.952 3.143 . 0 0 "[ . 1]" 1
22 1 4 THR HA 1 7 ASN H . . 5.500 4.302 4.239 4.393 . 0 0 "[ . 1]" 1
23 1 4 THR MG 1 7 ASN H . . 5.500 5.721 5.623 5.785 0.285 6 0 "[ . 1]" 1
24 1 5 THR H 1 5 THR HB . . 3.400 3.026 2.764 3.414 0.014 10 0 "[ . 1]" 1
25 1 5 THR H 1 9 ILE MD . . 6.000 6.494 6.411 6.607 0.607 2 5 "[*+* -* 1]" 1
26 1 5 THR HA 1 6 ASP H . . 3.400 3.607 3.588 3.624 0.224 6 0 "[ . 1]" 1
27 1 5 THR HA 1 7 ASN H . . 5.500 4.334 4.234 4.446 . 0 0 "[ . 1]" 1
28 1 5 THR HA 1 8 LEU H . . 5.500 4.994 4.888 5.128 . 0 0 "[ . 1]" 1
29 1 5 THR MG 1 6 ASP H . . 5.500 2.910 2.169 3.478 . 0 0 "[ . 1]" 1
30 1 5 THR MG 1 8 LEU H . . 5.500 5.646 5.538 5.721 0.221 2 0 "[ . 1]" 1
31 1 6 ASP H 1 6 ASP HA . . 2.800 2.988 2.979 2.999 0.199 6 0 "[ . 1]" 1
32 1 6 ASP H 1 7 ASN HA . . 5.500 4.895 4.780 4.971 . 0 0 "[ . 1]" 1
33 1 6 ASP H 1 9 ILE MD . . 5.500 5.404 5.326 5.463 . 0 0 "[ . 1]" 1
34 1 6 ASP HA 1 7 ASN H . . 5.500 3.064 2.999 3.111 . 0 0 "[ . 1]" 1
35 1 6 ASP HA 1 8 LEU H . . 5.500 3.205 3.124 3.305 . 0 0 "[ . 1]" 1
36 1 6 ASP HB2 1 7 ASN H . . 5.000 4.496 4.472 4.523 . 0 0 "[ . 1]" 1
37 1 6 ASP HB2 1 8 LEU H . . 5.500 5.185 5.099 5.276 . 0 0 "[ . 1]" 1
38 1 6 ASP HB2 1 9 ILE MD . . 6.000 3.530 3.449 3.648 . 0 0 "[ . 1]" 1
39 1 6 ASP HB2 1 9 ILE HG13 . . 5.500 5.742 5.679 5.819 0.319 2 0 "[ . 1]" 1
40 1 7 ASN H 1 7 ASN HA . . 2.800 2.987 2.966 3.016 0.216 9 0 "[ . 1]" 1
41 1 7 ASN H 1 7 ASN QD . . 5.500 4.478 4.214 4.622 . 0 0 "[ . 1]" 1
42 1 7 ASN H 1 8 LEU H . . 3.400 2.289 2.202 2.364 . 0 0 "[ . 1]" 1
43 1 7 ASN H 1 8 LEU HB3 . . 5.500 5.418 4.459 5.580 0.080 1 0 "[ . 1]" 1
44 1 7 ASN HA 1 8 LEU H . . 3.400 3.187 3.092 3.277 . 0 0 "[ . 1]" 1
45 1 7 ASN HB2 1 8 LEU H . . 5.500 4.173 4.021 4.337 . 0 0 "[ . 1]" 1
46 1 7 ASN HB3 1 8 LEU H . . 5.500 3.916 3.754 4.077 . 0 0 "[ . 1]" 1
47 1 7 ASN QD 1 9 ILE MD . . 5.500 4.837 4.680 4.938 . 0 0 "[ . 1]" 1
48 1 7 ASN QD 1 9 ILE HG12 . . 5.500 3.901 3.663 4.154 . 0 0 "[ . 1]" 1
49 1 7 ASN QD 1 9 ILE HG13 . . 5.500 4.884 4.813 4.958 . 0 0 "[ . 1]" 1
50 1 7 ASN QD 1 10 PRO HG3 . . 5.500 4.739 4.259 5.399 . 0 0 "[ . 1]" 1
51 1 8 LEU H 1 8 LEU HA . . 2.800 2.926 2.910 2.941 0.141 9 0 "[ . 1]" 1
52 1 8 LEU H 1 8 LEU MD1 . . 5.500 3.012 2.424 3.786 . 0 0 "[ . 1]" 1
53 1 8 LEU H 1 8 LEU MD2 . . 5.500 3.590 2.830 4.242 . 0 0 "[ . 1]" 1
54 1 8 LEU H 1 9 ILE H . . 3.400 2.835 2.723 3.024 . 0 0 "[ . 1]" 1
55 1 8 LEU HA 1 9 ILE H . . 3.400 3.155 3.064 3.249 . 0 0 "[ . 1]" 1
56 1 8 LEU HA 1 11 VAL HB . . 5.500 4.805 4.738 4.929 . 0 0 "[ . 1]" 1
57 1 8 LEU HA 1 11 VAL MG1 . . 5.500 2.403 2.120 2.526 . 0 0 "[ . 1]" 1
58 1 8 LEU HA 1 11 VAL MG2 . . 5.500 2.467 2.248 3.072 . 0 0 "[ . 1]" 1
59 1 8 LEU HB3 1 9 ILE H . . 5.500 4.474 4.233 4.648 . 0 0 "[ . 1]" 1
60 1 8 LEU MD1 1 9 ILE H . . 5.500 4.826 3.176 5.498 . 0 0 "[ . 1]" 1
61 1 8 LEU MD2 1 12 TYR QD . . 5.500 3.969 3.065 4.662 . 0 0 "[ . 1]" 1
62 1 8 LEU MD2 1 12 TYR QE . . 5.500 3.426 2.129 4.434 . 0 0 "[ . 1]" 1
63 1 8 LEU HG 1 11 VAL MG1 . . 5.500 4.164 2.447 5.667 0.167 2 0 "[ . 1]" 1
64 1 9 ILE H 1 9 ILE MD . . 5.500 2.435 2.280 2.538 . 0 0 "[ . 1]" 1
65 1 9 ILE H 1 9 ILE HG12 . . 3.400 1.938 1.915 1.963 . 0 0 "[ . 1]" 1
66 1 9 ILE H 1 9 ILE HG13 . . 5.500 3.487 3.457 3.536 . 0 0 "[ . 1]" 1
67 1 9 ILE H 1 10 PRO HD2 . . 5.500 2.404 2.340 2.612 . 0 0 "[ . 1]" 1
68 1 9 ILE H 1 10 PRO HD3 . . 5.500 3.338 3.235 3.536 . 0 0 "[ . 1]" 1
69 1 9 ILE H 1 10 PRO HG3 . . 5.500 5.024 4.924 5.225 . 0 0 "[ . 1]" 1
70 1 9 ILE HA 1 11 VAL MG1 . . 5.500 5.448 5.198 5.599 0.099 2 0 "[ . 1]" 1
71 1 9 ILE HA 1 11 VAL MG2 . . 5.500 4.867 4.763 5.071 . 0 0 "[ . 1]" 1
72 1 9 ILE MD 1 10 PRO HD2 . . 5.500 4.425 4.379 4.479 . 0 0 "[ . 1]" 1
73 1 9 ILE MD 1 10 PRO HD3 . . 5.500 4.701 4.672 4.761 . 0 0 "[ . 1]" 1
74 1 9 ILE MD 1 12 TYR HB2 . . 5.500 4.407 4.230 4.512 . 0 0 "[ . 1]" 1
75 1 9 ILE MD 1 12 TYR QD . . 5.500 4.577 3.196 4.979 . 0 0 "[ . 1]" 1
76 1 9 ILE MD 1 12 TYR QE . . 5.500 5.232 4.066 5.652 0.152 2 0 "[ . 1]" 1
77 1 9 ILE MG 1 10 PRO HA . . 5.500 4.018 3.949 4.087 . 0 0 "[ . 1]" 1
78 1 9 ILE MG 1 10 PRO HD2 . . 5.500 4.375 4.356 4.404 . 0 0 "[ . 1]" 1
79 1 9 ILE MG 1 10 PRO HD3 . . 5.500 3.750 3.717 3.767 . 0 0 "[ . 1]" 1
80 1 9 ILE MG 1 12 TYR HB2 . . 5.500 4.076 3.922 4.148 . 0 0 "[ . 1]" 1
81 1 9 ILE MG 1 12 TYR QD . . 5.500 5.089 4.387 5.255 . 0 0 "[ . 1]" 1
82 1 9 ILE MG 1 13 CYS HB2 . . 5.500 4.597 4.124 4.824 . 0 0 "[ . 1]" 1
83 1 9 ILE MG 1 13 CYS HB3 . . 5.500 5.575 5.415 5.630 0.130 9 0 "[ . 1]" 1
84 1 10 PRO HA 1 12 TYR H . . 5.500 4.546 4.492 4.608 . 0 0 "[ . 1]" 1
85 1 10 PRO HA 1 13 CYS HB2 . . 5.500 4.037 3.718 4.298 . 0 0 "[ . 1]" 1
86 1 10 PRO HA 1 13 CYS HB3 . . 5.500 3.696 3.530 3.976 . 0 0 "[ . 1]" 1
87 1 10 PRO HA 1 14 SER H . . 5.500 5.045 4.849 5.242 . 0 0 "[ . 1]" 1
88 1 10 PRO HB2 1 11 VAL MG1 . . 5.500 3.750 3.637 3.782 . 0 0 "[ . 1]" 1
89 1 11 VAL HA 1 11 VAL MG1 . . 3.400 2.676 2.624 2.797 . 0 0 "[ . 1]" 1
90 1 11 VAL HA 1 11 VAL MG2 . . 3.400 3.189 3.131 3.216 . 0 0 "[ . 1]" 1
91 1 11 VAL HA 1 12 TYR H . . 5.500 3.569 3.535 3.587 . 0 0 "[ . 1]" 1
92 1 11 VAL HA 1 14 SER H . . 3.400 3.522 3.429 3.578 0.178 2 0 "[ . 1]" 1
93 1 11 VAL HA 1 14 SER HB2 . . 3.400 3.530 3.456 3.577 0.177 4 0 "[ . 1]" 1
94 1 11 VAL HA 1 14 SER HB3 . . 3.400 3.266 3.215 3.329 . 0 0 "[ . 1]" 1
95 1 11 VAL HA 1 15 ILE H . . 5.500 4.257 4.155 4.294 . 0 0 "[ . 1]" 1
96 1 11 VAL HB 1 12 TYR H . . 5.500 4.196 4.147 4.264 . 0 0 "[ . 1]" 1
97 1 11 VAL HB 1 14 SER H . . 5.500 5.293 5.202 5.381 . 0 0 "[ . 1]" 1
98 1 11 VAL HB 1 15 ILE MD . . 5.500 3.974 3.716 4.285 . 0 0 "[ . 1]" 1
99 1 11 VAL HB 1 15 ILE MG . . 5.500 3.967 3.784 4.176 . 0 0 "[ . 1]" 1
100 1 11 VAL MG1 1 12 TYR H . . 5.500 3.615 3.401 3.716 . 0 0 "[ . 1]" 1
101 1 11 VAL MG1 1 12 TYR HB2 . . 5.500 5.405 5.078 5.561 0.061 7 0 "[ . 1]" 1
102 1 11 VAL MG1 1 12 TYR QD . . 5.500 4.688 4.558 4.984 . 0 0 "[ . 1]" 1
103 1 11 VAL MG1 1 12 TYR QE . . 5.500 5.908 5.804 6.098 0.598 3 2 "[- + . 1]" 1
104 1 11 VAL MG1 1 14 SER HB3 . . 5.500 5.270 5.212 5.385 . 0 0 "[ . 1]" 1
105 1 11 VAL MG1 1 15 ILE MG . . 5.500 5.057 4.927 5.188 . 0 0 "[ . 1]" 1
106 1 11 VAL MG2 1 12 TYR H . . 3.400 2.399 2.333 2.511 . 0 0 "[ . 1]" 1
107 1 11 VAL MG2 1 12 TYR HA . . 5.500 3.239 3.184 3.295 . 0 0 "[ . 1]" 1
108 1 11 VAL MG2 1 12 TYR HB2 . . 5.500 3.986 3.914 4.049 . 0 0 "[ . 1]" 1
109 1 11 VAL MG2 1 12 TYR QD . . 5.500 2.602 2.301 3.766 . 0 0 "[ . 1]" 1
110 1 11 VAL MG2 1 12 TYR QE . . 5.500 3.829 3.601 4.636 . 0 0 "[ . 1]" 1
111 1 11 VAL MG2 1 14 SER H . . 5.500 4.917 4.708 5.028 . 0 0 "[ . 1]" 1
112 1 11 VAL MG2 1 14 SER HB3 . . 5.500 4.764 4.355 4.988 . 0 0 "[ . 1]" 1
113 1 11 VAL MG2 1 15 ILE HB . . 5.500 5.370 5.030 5.498 . 0 0 "[ . 1]" 1
114 1 12 TYR H 1 12 TYR QD . . 5.500 2.812 2.664 3.310 . 0 0 "[ . 1]" 1
115 1 12 TYR H 1 12 TYR QE . . 5.500 5.044 4.973 5.266 . 0 0 "[ . 1]" 1
116 1 12 TYR H 1 14 SER H . . 5.500 4.265 4.155 4.325 . 0 0 "[ . 1]" 1
117 1 12 TYR HA 1 14 SER H . . 5.500 4.143 4.071 4.199 . 0 0 "[ . 1]" 1
118 1 12 TYR HA 1 15 ILE H . . 5.500 3.553 3.513 3.589 . 0 0 "[ . 1]" 1
119 1 12 TYR HA 1 15 ILE HB . . 5.500 4.914 4.885 4.952 . 0 0 "[ . 1]" 1
120 1 12 TYR HA 1 15 ILE MD . . 2.800 2.484 2.450 2.507 . 0 0 "[ . 1]" 1
121 1 12 TYR HA 1 15 ILE MG . . 5.500 4.245 4.207 4.280 . 0 0 "[ . 1]" 1
122 1 12 TYR HA 1 16 LEU H . . 5.500 3.284 3.243 3.339 . 0 0 "[ . 1]" 1
123 1 12 TYR HB2 1 12 TYR QD . . 3.400 2.723 2.360 2.819 . 0 0 "[ . 1]" 1
124 1 12 TYR HB2 1 15 ILE MD . . 5.500 4.693 4.662 4.720 . 0 0 "[ . 1]" 1
125 1 12 TYR HB2 1 16 LEU MD1 . . 5.500 4.609 4.513 4.779 . 0 0 "[ . 1]" 1
126 1 12 TYR HB2 1 16 LEU MD2 . . 5.500 5.615 5.535 5.751 0.251 3 0 "[ . 1]" 1
127 1 12 TYR HB3 1 14 SER H . . 5.500 5.141 5.059 5.191 . 0 0 "[ . 1]" 1
128 1 12 TYR HB3 1 15 ILE MD . . 5.500 4.562 4.511 4.612 . 0 0 "[ . 1]" 1
129 1 12 TYR QD 1 15 ILE H . . 5.500 5.402 5.313 5.451 . 0 0 "[ . 1]" 1
130 1 12 TYR QD 1 15 ILE MD . . 3.400 2.686 2.436 3.171 . 0 0 "[ . 1]" 1
131 1 12 TYR QD 1 16 LEU HB2 . . 5.500 3.760 2.602 4.134 . 0 0 "[ . 1]" 1
132 1 12 TYR QD 1 16 LEU MD1 . . 5.500 2.554 2.347 2.700 . 0 0 "[ . 1]" 1
133 1 12 TYR QD 1 16 LEU MD2 . . 5.500 4.322 4.279 4.383 . 0 0 "[ . 1]" 1
134 1 12 TYR QD 1 16 LEU HG . . 5.500 5.411 4.704 5.674 0.174 2 0 "[ . 1]" 1
135 1 12 TYR QE 1 15 ILE MD . . 5.500 3.179 2.928 3.533 . 0 0 "[ . 1]" 1
136 1 12 TYR QE 1 16 LEU MD2 . . 5.500 5.649 5.616 5.676 0.176 10 0 "[ . 1]" 1
137 1 13 CYS HA 1 14 SER H . . 5.500 3.536 3.500 3.568 . 0 0 "[ . 1]" 1
138 1 13 CYS HA 1 16 LEU H . . 5.500 4.071 4.005 4.150 . 0 0 "[ . 1]" 1
139 1 13 CYS HA 1 16 LEU HB2 . . 5.500 3.982 3.891 4.048 . 0 0 "[ . 1]" 1
140 1 13 CYS HA 1 16 LEU HB3 . . 3.400 2.983 2.888 3.050 . 0 0 "[ . 1]" 1
141 1 13 CYS HA 1 16 LEU MD1 . . 5.500 4.700 4.602 4.769 . 0 0 "[ . 1]" 1
142 1 13 CYS HA 1 16 LEU MD2 . . 5.500 3.759 3.690 3.812 . 0 0 "[ . 1]" 1
143 1 13 CYS HA 1 17 ALA H . . 5.500 3.740 3.672 3.807 . 0 0 "[ . 1]" 1
144 1 13 CYS HB2 1 14 SER H . . 5.500 4.037 3.899 4.119 . 0 0 "[ . 1]" 1
145 1 13 CYS HB2 1 16 LEU MD2 . . 5.500 5.430 5.372 5.507 0.007 1 0 "[ . 1]" 1
146 1 13 CYS HB3 1 14 SER H . . 5.500 2.979 2.856 3.152 . 0 0 "[ . 1]" 1
147 1 14 SER H 1 14 SER HA . . 2.800 2.910 2.892 2.927 0.127 1 0 "[ . 1]" 1
148 1 14 SER H 1 15 ILE HG13 . . 5.500 5.480 5.398 5.591 0.091 2 0 "[ . 1]" 1
149 1 14 SER H 1 15 ILE MG . . 5.500 4.622 4.553 4.653 . 0 0 "[ . 1]" 1
150 1 14 SER H 1 16 LEU H . . 5.500 4.019 3.942 4.057 . 0 0 "[ . 1]" 1
151 1 14 SER H 1 17 ALA MB . . 5.500 4.795 4.769 4.818 . 0 0 "[ . 1]" 1
152 1 14 SER HA 1 15 ILE H . . 5.500 3.640 3.626 3.652 . 0 0 "[ . 1]" 1
153 1 14 SER HA 1 17 ALA H . . 3.400 3.848 3.807 3.874 0.474 6 0 "[ . 1]" 1
154 1 14 SER HA 1 17 ALA MB . . 3.400 3.044 3.007 3.067 . 0 0 "[ . 1]" 1
155 1 14 SER HA 1 18 ALA H . . 5.500 4.492 4.405 4.567 . 0 0 "[ . 1]" 1
156 1 14 SER HB2 1 15 ILE H . . 5.500 3.642 3.593 3.665 . 0 0 "[ . 1]" 1
157 1 14 SER HB2 1 17 ALA H . . 5.500 5.908 5.871 5.934 0.434 6 0 "[ . 1]" 1
158 1 14 SER HB3 1 15 ILE H . . 5.500 2.242 2.208 2.262 . 0 0 "[ . 1]" 1
159 1 14 SER HB3 1 18 ALA MB . . 5.500 5.672 5.622 5.717 0.217 2 0 "[ . 1]" 1
160 1 15 ILE H 1 15 ILE MD . . 5.500 3.530 3.504 3.568 . 0 0 "[ . 1]" 1
161 1 15 ILE H 1 15 ILE HG12 . . 5.500 2.039 1.997 2.095 . 0 0 "[ . 1]" 1
162 1 15 ILE H 1 15 ILE HG13 . . 3.400 3.388 3.340 3.484 0.084 2 0 "[ . 1]" 1
163 1 15 ILE H 1 16 LEU H . . 5.500 2.721 2.697 2.733 . 0 0 "[ . 1]" 1
164 1 15 ILE H 1 17 ALA H . . 5.500 4.310 4.291 4.328 . 0 0 "[ . 1]" 1
165 1 15 ILE HA 1 17 ALA H . . 5.500 4.505 4.458 4.546 . 0 0 "[ . 1]" 1
166 1 15 ILE HA 1 18 ALA H . . 3.400 3.386 3.349 3.416 0.016 6 0 "[ . 1]" 1
167 1 15 ILE HA 1 18 ALA MB . . 3.400 2.754 2.739 2.772 . 0 0 "[ . 1]" 1
168 1 15 ILE HA 1 19 VAL H . . 5.500 3.914 3.903 3.926 . 0 0 "[ . 1]" 1
169 1 15 ILE HB 1 16 LEU H . . 5.500 3.763 3.741 3.802 . 0 0 "[ . 1]" 1
170 1 15 ILE HB 1 18 ALA H . . 5.500 5.282 5.239 5.328 . 0 0 "[ . 1]" 1
171 1 15 ILE HB 1 19 VAL H . . 5.500 4.629 4.598 4.665 . 0 0 "[ . 1]" 1
172 1 15 ILE HB 1 19 VAL MG2 . . 5.500 3.260 3.234 3.294 . 0 0 "[ . 1]" 1
173 1 15 ILE MD 1 16 LEU H . . 5.500 3.920 3.896 3.949 . 0 0 "[ . 1]" 1
174 1 15 ILE MD 1 18 ALA MB . . 5.500 5.827 5.796 5.850 0.350 1 0 "[ . 1]" 1
175 1 15 ILE HG12 1 18 ALA H . . 5.500 5.975 5.923 6.018 0.518 3 4 "[ + .* *-1]" 1
176 1 15 ILE HG12 1 19 VAL MG2 . . 5.500 5.413 5.326 5.501 0.001 3 0 "[ . 1]" 1
177 1 15 ILE HG13 1 16 LEU H . . 5.500 2.473 2.417 2.561 . 0 0 "[ . 1]" 1
178 1 15 ILE HG13 1 17 ALA H . . 5.500 5.140 5.108 5.180 . 0 0 "[ . 1]" 1
179 1 15 ILE HG13 1 18 ALA H . . 5.500 5.825 5.802 5.853 0.353 6 0 "[ . 1]" 1
180 1 15 ILE HG13 1 19 VAL H . . 5.500 5.384 5.294 5.447 . 0 0 "[ . 1]" 1
181 1 15 ILE MG 1 17 ALA H . . 5.500 5.613 5.573 5.648 0.148 10 0 "[ . 1]" 1
182 1 15 ILE MG 1 18 ALA MB . . 5.500 4.018 3.991 4.047 . 0 0 "[ . 1]" 1
183 1 15 ILE MG 1 19 VAL HB . . 5.500 5.838 5.821 5.858 0.358 2 0 "[ . 1]" 1
184 1 15 ILE MG 1 19 VAL MG2 . . 5.500 4.220 4.194 4.281 . 0 0 "[ . 1]" 1
185 1 16 LEU H 1 17 ALA H . . 3.400 2.753 2.739 2.761 . 0 0 "[ . 1]" 1
186 1 16 LEU HA 1 17 ALA H . . 5.500 3.642 3.627 3.658 . 0 0 "[ . 1]" 1
187 1 16 LEU HA 1 18 ALA H . . 5.500 4.433 4.406 4.456 . 0 0 "[ . 1]" 1
188 1 16 LEU HA 1 19 VAL H . . 5.500 3.392 3.378 3.400 . 0 0 "[ . 1]" 1
189 1 16 LEU HA 1 19 VAL HB . . 3.400 2.468 2.436 2.503 . 0 0 "[ . 1]" 1
190 1 16 LEU HA 1 19 VAL MG2 . . 5.500 3.704 3.688 3.725 . 0 0 "[ . 1]" 1
191 1 16 LEU HA 1 20 VAL H . . 5.500 3.319 3.298 3.344 . 0 0 "[ . 1]" 1
192 1 16 LEU HB2 1 17 ALA H . . 5.500 3.803 3.785 3.825 . 0 0 "[ . 1]" 1
193 1 16 LEU HB2 1 20 VAL H . . 5.500 5.658 5.640 5.666 0.166 8 0 "[ . 1]" 1
194 1 16 LEU HB2 1 20 VAL MG2 . . 5.500 4.463 4.437 4.494 . 0 0 "[ . 1]" 1
195 1 16 LEU HB3 1 17 ALA H . . 5.500 2.734 2.707 2.758 . 0 0 "[ . 1]" 1
196 1 16 LEU HB3 1 19 VAL H . . 5.500 5.669 5.651 5.681 0.181 9 0 "[ . 1]" 1
197 1 16 LEU HB3 1 20 VAL H . . 5.500 5.267 5.236 5.290 . 0 0 "[ . 1]" 1
198 1 16 LEU HB3 1 20 VAL MG2 . . 5.500 4.035 3.994 4.063 . 0 0 "[ . 1]" 1
199 1 16 LEU MD1 1 20 VAL HB . . 5.500 5.612 5.565 5.643 0.143 7 0 "[ . 1]" 1
200 1 16 LEU MD1 1 20 VAL MG2 . . 5.500 3.438 3.411 3.459 . 0 0 "[ . 1]" 1
201 1 16 LEU MD1 2 17 ALA MB . . 6.000 5.955 5.915 5.994 . 0 0 "[ . 1]" 1
202 1 16 LEU MD2 1 20 VAL HB . . 3.400 3.828 3.794 3.850 0.450 7 0 "[ . 1]" 1
203 1 16 LEU MD2 2 17 ALA MB . . 6.000 4.317 4.232 4.387 . 0 0 "[ . 1]" 1
204 1 16 LEU MD2 2 21 VAL MG2 . . 6.000 4.122 3.886 4.423 . 0 0 "[ . 1]" 1
205 1 17 ALA H 1 18 ALA H . . 2.800 2.851 2.834 2.865 0.065 3 0 "[ . 1]" 1
206 1 17 ALA HA 1 18 ALA H . . 5.500 3.614 3.599 3.638 . 0 0 "[ . 1]" 1
207 1 17 ALA HA 1 19 VAL H . . 5.500 4.732 4.709 4.768 . 0 0 "[ . 1]" 1
208 1 17 ALA HA 1 20 VAL H . . 3.400 3.942 3.925 3.955 0.555 2 10 [*+***-****] 1
209 1 17 ALA HA 1 20 VAL HB . . 2.800 3.098 3.072 3.135 0.335 2 0 "[ . 1]" 1
210 1 17 ALA HA 1 20 VAL MG1 . . 5.500 4.312 4.282 4.361 . 0 0 "[ . 1]" 1
211 1 17 ALA HA 1 20 VAL MG2 . . 5.500 4.043 4.018 4.054 . 0 0 "[ . 1]" 1
212 1 17 ALA MB 1 19 VAL H . . 5.500 4.755 4.747 4.762 . 0 0 "[ . 1]" 1
213 1 17 ALA MB 1 20 VAL H . . 5.500 5.051 5.039 5.066 . 0 0 "[ . 1]" 1
214 1 17 ALA MB 1 21 VAL HB . . 5.500 4.829 4.770 4.882 . 0 0 "[ . 1]" 1
215 1 17 ALA MB 1 21 VAL MG1 . . 5.500 5.261 5.208 5.309 . 0 0 "[ . 1]" 1
216 1 17 ALA MB 1 21 VAL MG2 . . 5.500 3.520 3.466 3.563 . 0 0 "[ . 1]" 1
217 1 17 ALA MB 2 16 LEU MD1 . . 6.000 4.286 3.918 4.570 . 0 0 "[ . 1]" 1
218 1 17 ALA MB 2 16 LEU MD2 . . 6.000 2.827 2.557 3.053 . 0 0 "[ . 1]" 1
219 1 18 ALA H 1 19 VAL H . . 2.800 2.706 2.671 2.737 . 0 0 "[ . 1]" 1
220 1 18 ALA H 1 19 VAL HB . . 5.500 4.727 4.687 4.770 . 0 0 "[ . 1]" 1
221 1 18 ALA H 1 20 VAL H . . 5.500 4.408 4.387 4.425 . 0 0 "[ . 1]" 1
222 1 18 ALA H 1 21 VAL HB . . 5.500 5.194 5.170 5.216 . 0 0 "[ . 1]" 1
223 1 18 ALA HA 1 19 VAL H . . 5.500 3.584 3.578 3.599 . 0 0 "[ . 1]" 1
224 1 18 ALA HA 1 20 VAL H . . 5.500 4.919 4.895 4.937 . 0 0 "[ . 1]" 1
225 1 18 ALA HA 1 21 VAL H . . 3.400 3.946 3.930 3.960 0.560 6 10 [****-+****] 1
226 1 18 ALA HA 1 21 VAL HB . . 2.800 3.029 3.012 3.044 0.244 6 0 "[ . 1]" 1
227 1 18 ALA HA 1 22 GLY H . . 5.500 4.094 4.040 4.154 . 0 0 "[ . 1]" 1
228 1 18 ALA MB 1 21 VAL H . . 5.500 4.992 4.982 5.002 . 0 0 "[ . 1]" 1
229 1 19 VAL H 1 21 VAL H . . 5.500 4.302 4.277 4.334 . 0 0 "[ . 1]" 1
230 1 19 VAL H 1 21 VAL HB . . 5.500 5.239 5.212 5.266 . 0 0 "[ . 1]" 1
231 1 19 VAL HA 1 20 VAL H . . 5.500 3.617 3.605 3.624 . 0 0 "[ . 1]" 1
232 1 19 VAL HA 1 22 GLY H . . 3.400 3.706 3.691 3.725 0.325 9 0 "[ . 1]" 1
233 1 19 VAL HA 1 23 LEU H . . 5.500 3.998 3.972 4.026 . 0 0 "[ . 1]" 1
234 1 19 VAL HB 1 20 VAL H . . 5.500 2.654 2.644 2.667 . 0 0 "[ . 1]" 1
235 1 19 VAL MG1 1 20 VAL H . . 5.500 3.068 3.046 3.084 . 0 0 "[ . 1]" 1
236 1 19 VAL MG1 1 21 VAL H . . 5.500 5.057 5.041 5.067 . 0 0 "[ . 1]" 1
237 1 19 VAL MG1 1 22 GLY HA3 . . 5.500 5.245 5.199 5.299 . 0 0 "[ . 1]" 1
238 1 19 VAL MG2 1 20 VAL H . . 5.500 4.052 4.042 4.066 . 0 0 "[ . 1]" 1
239 1 19 VAL MG2 1 21 VAL H . . 5.500 5.674 5.663 5.700 0.200 10 0 "[ . 1]" 1
240 1 19 VAL MG2 1 23 LEU HB2 . . 5.500 5.532 5.517 5.553 0.053 10 0 "[ . 1]" 1
241 1 20 VAL H 1 21 VAL H . . 2.800 2.852 2.831 2.873 0.073 1 0 "[ . 1]" 1
242 1 20 VAL H 1 22 GLY H . . 5.500 4.415 4.370 4.453 . 0 0 "[ . 1]" 1
243 1 20 VAL HA 1 21 VAL H . . 5.500 3.615 3.609 3.619 . 0 0 "[ . 1]" 1
244 1 20 VAL HA 1 22 GLY H . . 5.500 4.677 4.659 4.714 . 0 0 "[ . 1]" 1
245 1 20 VAL HA 1 23 LEU H . . 3.400 3.370 3.352 3.405 0.005 7 0 "[ . 1]" 1
246 1 20 VAL HA 1 23 LEU HB2 . . 2.800 2.459 2.423 2.509 . 0 0 "[ . 1]" 1
247 1 20 VAL HA 1 23 LEU HB3 . . 3.400 3.095 3.068 3.130 . 0 0 "[ . 1]" 1
248 1 20 VAL HA 1 24 VAL H . . 5.500 3.984 3.934 4.029 . 0 0 "[ . 1]" 1
249 1 20 VAL HB 1 23 LEU H . . 5.500 5.542 5.527 5.562 0.062 3 0 "[ . 1]" 1
250 1 20 VAL MG1 1 23 LEU H . . 5.500 4.740 4.716 4.771 . 0 0 "[ . 1]" 1
251 1 20 VAL MG2 1 23 LEU H . . 5.500 5.118 5.090 5.151 . 0 0 "[ . 1]" 1
252 1 20 VAL MG2 2 21 VAL MG2 . . 6.000 5.068 4.940 5.184 . 0 0 "[ . 1]" 1
253 1 21 VAL H 1 22 GLY H . . 2.800 2.833 2.805 2.856 0.056 1 0 "[ . 1]" 1
254 1 21 VAL H 1 23 LEU H . . 5.500 4.081 4.059 4.108 . 0 0 "[ . 1]" 1
255 1 21 VAL H 1 23 LEU HB3 . . 5.500 5.813 5.775 5.859 0.359 3 0 "[ . 1]" 1
256 1 21 VAL HA 1 23 LEU H . . 5.500 4.415 4.375 4.457 . 0 0 "[ . 1]" 1
257 1 21 VAL HA 1 24 VAL H . . 3.400 3.417 3.401 3.430 0.030 3 0 "[ . 1]" 1
258 1 21 VAL HA 1 24 VAL HB . . 2.800 2.882 2.859 2.903 0.103 7 0 "[ . 1]" 1
259 1 21 VAL HA 1 25 ALA H . . 5.500 4.569 4.483 4.643 . 0 0 "[ . 1]" 1
260 1 21 VAL HB 1 23 LEU H . . 5.500 5.049 5.004 5.093 . 0 0 "[ . 1]" 1
261 1 21 VAL MG2 2 16 LEU MD2 . . 6.000 3.905 3.360 4.364 . 0 0 "[ . 1]" 1
262 1 21 VAL MG2 2 20 VAL MG2 . . 6.000 4.065 3.904 4.183 . 0 0 "[ . 1]" 1
263 1 22 GLY H 1 24 VAL H . . 5.500 4.397 4.380 4.421 . 0 0 "[ . 1]" 1
264 1 22 GLY HA2 1 23 LEU H . . 5.500 3.582 3.575 3.597 . 0 0 "[ . 1]" 1
265 1 22 GLY HA2 1 24 VAL H . . 5.500 4.641 4.604 4.664 . 0 0 "[ . 1]" 1
266 1 22 GLY HA2 1 25 ALA H . . 5.500 3.855 3.829 3.871 . 0 0 "[ . 1]" 1
267 1 22 GLY HA2 1 25 ALA MB . . 5.500 3.393 3.353 3.427 . 0 0 "[ . 1]" 1
268 1 22 GLY HA2 1 26 TYR H . . 5.500 4.152 4.068 4.211 . 0 0 "[ . 1]" 1
269 1 22 GLY HA3 1 24 VAL H . . 5.500 4.974 4.955 5.004 . 0 0 "[ . 1]" 1
270 1 22 GLY HA3 1 25 ALA H . . 5.500 5.099 5.080 5.113 . 0 0 "[ . 1]" 1
271 1 22 GLY HA3 1 25 ALA MB . . 5.500 4.789 4.766 4.810 . 0 0 "[ . 1]" 1
272 1 22 GLY HA3 1 26 TYR H . . 5.500 4.941 4.871 4.995 . 0 0 "[ . 1]" 1
273 1 23 LEU H 1 23 LEU HG . . 5.500 4.294 4.276 4.316 . 0 0 "[ . 1]" 1
274 1 23 LEU H 1 24 VAL H . . 2.800 2.879 2.843 2.918 0.118 9 0 "[ . 1]" 1
275 1 23 LEU H 1 25 ALA H . . 5.500 4.579 4.549 4.618 . 0 0 "[ . 1]" 1
276 1 23 LEU HA 1 24 VAL H . . 5.500 3.621 3.613 3.631 . 0 0 "[ . 1]" 1
277 1 23 LEU HA 1 25 ALA H . . 5.500 4.542 4.505 4.591 . 0 0 "[ . 1]" 1
278 1 23 LEU HA 1 26 TYR H . . 3.400 3.342 3.298 3.385 . 0 0 "[ . 1]" 1
279 1 23 LEU HA 1 26 TYR HB2 . . 3.400 3.721 3.695 3.747 0.347 6 0 "[ . 1]" 1
280 1 23 LEU HA 1 26 TYR HB3 . . 3.400 2.325 2.305 2.338 . 0 0 "[ . 1]" 1
281 1 23 LEU HA 1 27 ILE H . . 5.500 3.073 3.050 3.108 . 0 0 "[ . 1]" 1
282 1 23 LEU HB2 1 24 VAL H . . 3.400 3.432 3.412 3.458 0.058 5 0 "[ . 1]" 1
283 1 23 LEU HB2 1 25 ALA H . . 5.500 5.849 5.835 5.872 0.372 9 0 "[ . 1]" 1
284 1 23 LEU HB2 1 26 TYR H . . 5.500 5.766 5.740 5.795 0.295 6 0 "[ . 1]" 1
285 1 23 LEU HB2 1 27 ILE H . . 5.500 5.485 5.458 5.526 0.026 9 0 "[ . 1]" 1
286 1 23 LEU HB2 2 24 VAL MG2 . . 6.000 5.859 5.843 5.875 . 0 0 "[ . 1]" 1
287 1 23 LEU HB3 1 24 VAL H . . 5.500 2.790 2.769 2.817 . 0 0 "[ . 1]" 1
288 1 23 LEU HB3 1 25 ALA H . . 5.500 5.339 5.326 5.364 . 0 0 "[ . 1]" 1
289 1 23 LEU HB3 1 26 TYR H . . 5.500 5.456 5.416 5.503 0.003 9 0 "[ . 1]" 1
290 1 23 LEU HB3 1 26 TYR QD . . 5.500 5.684 5.663 5.711 0.211 9 0 "[ . 1]" 1
291 1 23 LEU HB3 1 27 ILE MD . . 5.500 5.190 5.140 5.259 . 0 0 "[ . 1]" 1
292 1 23 LEU HB3 2 24 VAL MG2 . . 6.000 4.890 4.817 4.947 . 0 0 "[ . 1]" 1
293 1 23 LEU MD1 1 26 TYR HB2 . . 5.500 4.942 4.839 5.035 . 0 0 "[ . 1]" 1
294 1 23 LEU MD1 1 26 TYR HB3 . . 5.500 3.897 3.792 3.979 . 0 0 "[ . 1]" 1
295 1 23 LEU MD1 1 26 TYR QD . . 5.500 3.757 3.666 3.822 . 0 0 "[ . 1]" 1
296 1 23 LEU MD1 1 26 TYR QE . . 5.500 4.819 4.744 4.877 . 0 0 "[ . 1]" 1
297 1 23 LEU MD2 1 26 TYR QD . . 5.500 4.597 4.551 4.656 . 0 0 "[ . 1]" 1
298 1 23 LEU MD2 2 24 VAL MG2 . . 6.000 3.958 3.908 4.035 . 0 0 "[ . 1]" 1
299 1 23 LEU HG 1 27 ILE MD . . 5.500 3.375 3.352 3.410 . 0 0 "[ . 1]" 1
300 1 24 VAL H 1 24 VAL HB . . 2.800 2.409 2.390 2.432 . 0 0 "[ . 1]" 1
301 1 24 VAL H 1 25 ALA H . . 2.800 3.005 2.995 3.018 0.218 6 0 "[ . 1]" 1
302 1 24 VAL H 1 26 TYR H . . 5.500 4.331 4.299 4.357 . 0 0 "[ . 1]" 1
303 1 24 VAL H 1 28 ALA MB . . 5.500 5.930 5.906 5.956 0.456 9 0 "[ . 1]" 1
304 1 24 VAL HA 1 26 TYR H . . 5.500 4.764 4.733 4.785 . 0 0 "[ . 1]" 1
305 1 24 VAL HA 1 27 ILE H . . 5.500 4.315 4.283 4.337 . 0 0 "[ . 1]" 1
306 1 24 VAL HA 1 27 ILE HB . . 3.400 3.597 3.571 3.621 0.221 8 0 "[ . 1]" 1
307 1 24 VAL HB 1 25 ALA H . . 5.500 2.792 2.745 2.818 . 0 0 "[ . 1]" 1
308 1 24 VAL HB 1 26 TYR H . . 5.500 5.232 5.197 5.254 . 0 0 "[ . 1]" 1
309 1 24 VAL MG1 1 25 ALA H . . 5.500 3.080 3.046 3.108 . 0 0 "[ . 1]" 1
310 1 24 VAL MG1 1 25 ALA MB . . 5.500 3.505 3.474 3.547 . 0 0 "[ . 1]" 1
311 1 24 VAL MG1 1 26 TYR H . . 5.500 5.080 5.058 5.104 . 0 0 "[ . 1]" 1
312 1 24 VAL MG2 1 25 ALA H . . 5.500 4.129 4.112 4.141 . 0 0 "[ . 1]" 1
313 1 24 VAL MG2 1 26 TYR H . . 5.500 5.710 5.683 5.724 0.224 6 0 "[ . 1]" 1
314 1 24 VAL MG2 1 28 ALA H . . 5.500 5.478 5.447 5.513 0.013 10 0 "[ . 1]" 1
315 1 24 VAL MG2 1 28 ALA MB . . 5.500 4.785 4.760 4.811 . 0 0 "[ . 1]" 1
316 1 24 VAL MG2 2 23 LEU HB2 . . 6.000 5.625 5.540 5.696 . 0 0 "[ . 1]" 1
317 1 24 VAL MG2 2 23 LEU HB3 . . 6.000 4.360 4.283 4.428 . 0 0 "[ . 1]" 1
318 1 24 VAL MG2 2 23 LEU MD2 . . 6.000 3.422 3.320 3.502 . 0 0 "[ . 1]" 1
319 1 24 VAL MG2 2 27 ILE MD . . 6.000 4.389 4.161 4.721 . 0 0 "[ . 1]" 1
320 1 25 ALA H 1 25 ALA MB . . 3.400 2.238 2.234 2.246 . 0 0 "[ . 1]" 1
321 1 25 ALA H 1 26 TYR H . . 2.800 2.679 2.663 2.716 . 0 0 "[ . 1]" 1
322 1 25 ALA H 1 27 ILE H . . 5.500 4.630 4.618 4.646 . 0 0 "[ . 1]" 1
323 1 25 ALA HA 1 26 TYR H . . 5.500 3.612 3.602 3.634 . 0 0 "[ . 1]" 1
324 1 25 ALA HA 1 27 ILE H . . 5.500 5.110 5.063 5.140 . 0 0 "[ . 1]" 1
325 1 25 ALA HA 1 28 ALA H . . 5.000 4.104 4.076 4.126 . 0 0 "[ . 1]" 1
326 1 25 ALA HA 1 28 ALA MB . . 2.800 2.888 2.869 2.913 0.113 3 0 "[ . 1]" 1
327 1 25 ALA HA 1 29 PHE H . . 5.500 3.977 3.945 3.996 . 0 0 "[ . 1]" 1
328 1 25 ALA MB 1 26 TYR H . . 5.500 2.603 2.580 2.639 . 0 0 "[ . 1]" 1
329 1 25 ALA MB 1 28 ALA H . . 5.500 5.065 5.054 5.078 . 0 0 "[ . 1]" 1
330 1 25 ALA MB 1 29 PHE H . . 5.500 4.667 4.628 4.681 . 0 0 "[ . 1]" 1
331 1 25 ALA MB 1 29 PHE QB . . 5.500 4.140 4.097 4.157 . 0 0 "[ . 1]" 1
332 1 25 ALA MB 1 29 PHE QD . . 5.500 5.520 5.291 5.591 0.091 2 0 "[ . 1]" 1
333 1 26 TYR H 1 26 TYR QD . . 5.500 4.209 4.202 4.217 . 0 0 "[ . 1]" 1
334 1 26 TYR H 1 27 ILE H . . 2.800 2.914 2.891 2.931 0.131 9 0 "[ . 1]" 1
335 1 26 TYR H 1 28 ALA H . . 5.500 4.250 4.217 4.288 . 0 0 "[ . 1]" 1
336 1 26 TYR HA 1 26 TYR QD . . 3.400 2.765 2.748 2.782 . 0 0 "[ . 1]" 1
337 1 26 TYR HA 1 28 ALA H . . 5.500 4.653 4.639 4.669 . 0 0 "[ . 1]" 1
338 1 26 TYR HA 1 29 PHE H . . 3.400 3.706 3.675 3.730 0.330 9 0 "[ . 1]" 1
339 1 26 TYR HA 1 29 PHE QB . . 3.400 3.007 2.943 3.038 . 0 0 "[ . 1]" 1
340 1 26 TYR HA 1 30 LYS H . . 5.500 3.948 3.928 3.969 . 0 0 "[ . 1]" 1
341 1 26 TYR HB2 1 27 ILE H . . 5.500 3.826 3.816 3.837 . 0 0 "[ . 1]" 1
342 1 26 TYR HB2 1 28 ALA H . . 5.500 5.923 5.914 5.942 0.442 9 0 "[ . 1]" 1
343 1 26 TYR HB2 1 30 LYS HD2 . . 5.500 5.643 5.633 5.667 0.167 5 0 "[ . 1]" 1
344 1 26 TYR HB3 1 26 TYR QD . . 3.400 2.382 2.368 2.387 . 0 0 "[ . 1]" 1
345 1 26 TYR HB3 1 27 ILE H . . 5.500 2.394 2.371 2.409 . 0 0 "[ . 1]" 1
346 1 26 TYR HB3 1 28 ALA H . . 5.500 4.942 4.921 4.962 . 0 0 "[ . 1]" 1
347 1 26 TYR HB3 1 30 LYS HD2 . . 5.500 5.825 5.811 5.854 0.354 5 0 "[ . 1]" 1
348 1 26 TYR QD 1 27 ILE H . . 3.400 2.951 2.919 2.978 . 0 0 "[ . 1]" 1
349 1 26 TYR QD 1 27 ILE MD . . 3.400 3.065 3.002 3.161 . 0 0 "[ . 1]" 1
350 1 26 TYR QD 1 27 ILE HG12 . . 5.500 2.380 2.368 2.387 . 0 0 "[ . 1]" 1
351 1 26 TYR QD 1 27 ILE MG . . 5.500 4.765 4.750 4.782 . 0 0 "[ . 1]" 1
352 1 26 TYR QD 1 28 ALA H . . 5.500 5.310 5.288 5.329 . 0 0 "[ . 1]" 1
353 1 26 TYR QD 1 29 PHE QD . . 5.500 5.080 4.985 5.350 . 0 0 "[ . 1]" 1
354 1 26 TYR QD 1 30 LYS HD2 . . 5.500 3.901 3.888 3.910 . 0 0 "[ . 1]" 1
355 1 26 TYR QD 1 30 LYS HD3 . . 5.500 3.953 3.922 3.967 . 0 0 "[ . 1]" 1
356 1 26 TYR QD 1 30 LYS HG2 . . 5.500 4.351 4.331 4.379 . 0 0 "[ . 1]" 1
357 1 26 TYR QD 1 30 LYS HG3 . . 5.500 5.703 5.685 5.730 0.230 10 0 "[ . 1]" 1
358 1 26 TYR QE 1 27 ILE H . . 5.500 5.097 5.072 5.117 . 0 0 "[ . 1]" 1
359 1 26 TYR QE 1 27 ILE MD . . 5.500 3.272 3.217 3.365 . 0 0 "[ . 1]" 1
360 1 26 TYR QE 1 27 ILE HG12 . . 5.500 4.122 4.099 4.138 . 0 0 "[ . 1]" 1
361 1 26 TYR QE 1 27 ILE MG . . 5.500 5.633 5.624 5.656 0.156 5 0 "[ . 1]" 1
362 1 26 TYR QE 1 29 PHE QD . . 5.500 5.686 5.654 5.738 0.238 10 0 "[ . 1]" 1
363 1 26 TYR QE 1 30 LYS HD2 . . 3.400 3.600 3.570 3.618 0.218 6 0 "[ . 1]" 1
364 1 26 TYR QE 1 30 LYS HD3 . . 5.500 2.680 2.652 2.706 . 0 0 "[ . 1]" 1
365 1 26 TYR QE 1 30 LYS QE . . 5.500 3.945 3.917 3.975 . 0 0 "[ . 1]" 1
366 1 26 TYR QE 1 30 LYS HG2 . . 5.500 3.152 3.123 3.208 . 0 0 "[ . 1]" 1
367 1 26 TYR QE 1 30 LYS HG3 . . 5.500 4.577 4.558 4.611 . 0 0 "[ . 1]" 1
368 1 27 ILE H 1 28 ALA H . . 2.800 2.773 2.763 2.790 . 0 0 "[ . 1]" 1
369 1 27 ILE HA 1 28 ALA H . . 5.500 3.601 3.571 3.615 . 0 0 "[ . 1]" 1
370 1 27 ILE HA 1 29 PHE H . . 5.500 4.737 4.719 4.753 . 0 0 "[ . 1]" 1
371 1 27 ILE HA 1 30 LYS H . . 3.400 3.511 3.488 3.534 0.134 3 0 "[ . 1]" 1
372 1 27 ILE HA 1 30 LYS HB2 . . 3.400 2.511 2.489 2.542 . 0 0 "[ . 1]" 1
373 1 27 ILE HA 1 30 LYS HB3 . . 3.400 3.512 3.469 3.583 0.183 9 0 "[ . 1]" 1
374 1 27 ILE HA 1 31 ARG H . . 5.500 3.900 3.858 3.953 . 0 0 "[ . 1]" 1
375 1 27 ILE HB 1 28 ALA H . . 5.500 2.725 2.695 2.739 . 0 0 "[ . 1]" 1
376 1 27 ILE HB 1 29 PHE H . . 5.500 5.356 5.339 5.373 . 0 0 "[ . 1]" 1
377 1 27 ILE MD 1 28 ALA H . . 5.500 4.885 4.861 4.906 . 0 0 "[ . 1]" 1
378 1 27 ILE MD 1 31 ARG HG2 . . 5.500 5.152 4.997 5.215 . 0 0 "[ . 1]" 1
379 1 27 ILE MD 1 31 ARG HG3 . . 5.500 5.734 5.695 5.781 0.281 10 0 "[ . 1]" 1
380 1 27 ILE MD 2 24 VAL MG2 . . 6.000 6.133 6.080 6.160 0.160 1 0 "[ . 1]" 1
381 1 27 ILE MG 1 29 PHE H . . 5.500 5.078 5.067 5.087 . 0 0 "[ . 1]" 1
382 1 27 ILE MG 1 31 ARG HB2 . . 5.500 3.598 3.562 3.655 . 0 0 "[ . 1]" 1
383 1 27 ILE MG 1 31 ARG HB3 . . 5.500 4.853 4.815 4.916 . 0 0 "[ . 1]" 1
384 1 27 ILE MG 1 31 ARG HD2 . . 3.400 3.627 2.886 3.760 0.360 9 0 "[ . 1]" 1
385 1 27 ILE MG 1 31 ARG HD3 . . 5.500 2.296 2.212 2.788 . 0 0 "[ . 1]" 1
386 1 27 ILE MG 1 31 ARG HE . . 5.500 4.067 3.504 4.764 . 0 0 "[ . 1]" 1
387 1 27 ILE MG 1 31 ARG HG2 . . 5.500 3.805 3.627 3.872 . 0 0 "[ . 1]" 1
388 1 27 ILE MG 2 28 ALA HA . . 6.000 3.733 3.697 3.759 . 0 0 "[ . 1]" 1
389 1 27 ILE MG 2 28 ALA MB . . 6.000 3.745 3.698 3.784 . 0 0 "[ . 1]" 1
390 1 27 ILE MG 2 32 TRP HE3 . . 6.000 3.954 3.933 3.994 . 0 0 "[ . 1]" 1
391 1 27 ILE MG 2 32 TRP HH2 . . 6.000 2.075 2.061 2.095 . 0 0 "[ . 1]" 1
392 1 27 ILE MG 2 32 TRP HZ3 . . 6.000 2.020 2.002 2.055 . 0 0 "[ . 1]" 1
393 1 28 ALA H 1 28 ALA HA . . 2.800 2.827 2.819 2.831 0.031 1 0 "[ . 1]" 1
394 1 28 ALA H 1 29 PHE H . . 2.800 2.883 2.874 2.899 0.099 7 0 "[ . 1]" 1
395 1 28 ALA H 1 30 LYS H . . 5.500 4.233 4.218 4.252 . 0 0 "[ . 1]" 1
396 1 28 ALA HA 1 29 PHE H . . 5.500 3.614 3.606 3.629 . 0 0 "[ . 1]" 1
397 1 28 ALA HA 1 30 LYS H . . 5.500 4.583 4.559 4.638 . 0 0 "[ . 1]" 1
398 1 28 ALA HA 1 31 ARG H . . 3.400 3.564 3.535 3.606 0.206 9 0 "[ . 1]" 1
399 1 28 ALA HA 1 31 ARG HB2 . . 5.500 3.087 3.039 3.164 . 0 0 "[ . 1]" 1
400 1 28 ALA HA 1 31 ARG HB3 . . 5.500 4.508 4.441 4.611 . 0 0 "[ . 1]" 1
401 1 28 ALA HA 1 31 ARG HD2 . . 5.500 5.331 4.648 5.468 . 0 0 "[ . 1]" 1
402 1 28 ALA HA 1 31 ARG HD3 . . 5.500 4.703 4.553 5.650 0.150 5 0 "[ . 1]" 1
403 1 28 ALA HA 1 32 TRP H . . 5.500 4.080 4.031 4.177 . 0 0 "[ . 1]" 1
404 1 28 ALA HA 1 32 TRP HZ3 . . 5.500 5.377 5.263 5.450 . 0 0 "[ . 1]" 1
405 1 28 ALA HA 2 27 ILE MG . . 6.000 4.650 4.424 4.780 . 0 0 "[ . 1]" 1
406 1 28 ALA MB 1 29 PHE H . . 5.500 2.400 2.387 2.410 . 0 0 "[ . 1]" 1
407 1 28 ALA MB 1 30 LYS H . . 5.500 4.552 4.535 4.580 . 0 0 "[ . 1]" 1
408 1 28 ALA MB 1 31 ARG H . . 5.500 4.730 4.707 4.763 . 0 0 "[ . 1]" 1
409 1 28 ALA MB 1 32 TRP H . . 5.500 4.657 4.626 4.707 . 0 0 "[ . 1]" 1
410 1 28 ALA MB 1 32 TRP QB . . 5.500 4.359 4.322 4.403 . 0 0 "[ . 1]" 1
411 1 28 ALA MB 1 32 TRP HD1 . . 5.500 5.602 5.525 5.669 0.169 9 0 "[ . 1]" 1
412 1 28 ALA MB 1 32 TRP HE3 . . 5.500 3.148 3.115 3.167 . 0 0 "[ . 1]" 1
413 1 28 ALA MB 1 32 TRP HZ3 . . 5.500 2.853 2.750 2.917 . 0 0 "[ . 1]" 1
414 1 28 ALA MB 2 27 ILE MG . . 6.000 3.272 3.137 3.362 . 0 0 "[ . 1]" 1
415 1 29 PHE H 1 29 PHE HA . . 2.800 2.836 2.829 2.844 0.044 10 0 "[ . 1]" 1
416 1 29 PHE H 1 29 PHE QD . . 5.500 4.095 4.070 4.118 . 0 0 "[ . 1]" 1
417 1 29 PHE H 1 30 LYS H . . 2.800 2.815 2.797 2.853 0.053 10 0 "[ . 1]" 1
418 1 29 PHE H 1 31 ARG H . . 5.500 4.396 4.359 4.430 . 0 0 "[ . 1]" 1
419 1 29 PHE HA 1 31 ARG H . . 5.500 4.532 4.469 4.619 . 0 0 "[ . 1]" 1
420 1 29 PHE HA 1 32 TRP H . . 3.400 3.322 3.282 3.372 . 0 0 "[ . 1]" 1
421 1 29 PHE HA 1 32 TRP QB . . 3.400 2.355 2.323 2.381 . 0 0 "[ . 1]" 1
422 1 29 PHE HA 1 33 ASN H . . 5.500 3.865 3.815 3.962 . 0 0 "[ . 1]" 1
423 1 29 PHE QB 1 31 ARG H . . 5.500 4.980 4.899 5.023 . 0 0 "[ . 1]" 1
424 1 29 PHE QD 1 30 LYS H . . 5.500 4.250 3.899 4.353 . 0 0 "[ . 1]" 1
425 1 29 PHE QD 1 33 ASN H . . 5.500 4.816 4.770 4.855 . 0 0 "[ . 1]" 1
426 1 29 PHE QE 1 33 ASN H . . 5.500 5.628 5.552 5.688 0.188 1 0 "[ . 1]" 1
427 1 29 PHE QE 1 33 ASN HB2 . . 5.500 4.140 3.668 4.685 . 0 0 "[ . 1]" 1
428 1 29 PHE HZ 1 33 ASN QD . . 5.500 3.485 2.628 3.926 . 0 0 "[ . 1]" 1
429 1 29 PHE HZ 1 33 ASN HD22 . . 5.500 4.324 3.651 4.837 . 0 0 "[ . 1]" 1
430 1 30 LYS H 1 30 LYS HD3 . . 5.500 4.447 4.425 4.473 . 0 0 "[ . 1]" 1
431 1 30 LYS H 1 30 LYS HG2 . . 5.500 4.191 4.169 4.205 . 0 0 "[ . 1]" 1
432 1 30 LYS H 1 30 LYS HG3 . . 5.500 4.412 4.401 4.438 . 0 0 "[ . 1]" 1
433 1 30 LYS H 1 31 ARG H . . 2.800 2.881 2.851 2.904 0.104 3 0 "[ . 1]" 1
434 1 30 LYS HA 1 30 LYS HB2 . . 2.800 2.942 2.936 2.949 0.149 7 0 "[ . 1]" 1
435 1 30 LYS HA 1 30 LYS HB3 . . 2.800 2.830 2.817 2.848 0.048 5 0 "[ . 1]" 1
436 1 30 LYS HA 1 33 ASN H . . 3.400 3.571 3.502 3.597 0.197 6 0 "[ . 1]" 1
437 1 30 LYS HA 1 33 ASN HB2 . . 5.500 3.898 3.459 4.339 . 0 0 "[ . 1]" 1
438 1 30 LYS HA 1 33 ASN HB3 . . 5.500 4.359 3.792 4.968 . 0 0 "[ . 1]" 1
439 1 30 LYS HB2 1 31 ARG H . . 5.500 3.150 3.118 3.188 . 0 0 "[ . 1]" 1
440 1 30 LYS HD2 1 31 ARG H . . 5.500 5.090 5.074 5.107 . 0 0 "[ . 1]" 1
441 1 30 LYS HD2 1 33 ASN H . . 5.500 5.950 5.929 5.963 0.463 9 0 "[ . 1]" 1
442 1 30 LYS QE 1 31 ARG H . . 5.500 5.281 5.264 5.289 . 0 0 "[ . 1]" 1
443 1 30 LYS QE 1 32 TRP H . . 5.500 5.827 5.758 5.884 0.384 9 0 "[ . 1]" 1
444 1 30 LYS HG2 1 31 ARG H . . 5.500 5.192 5.156 5.222 . 0 0 "[ . 1]" 1
445 1 30 LYS HG3 1 31 ARG H . . 5.500 5.007 4.954 5.031 . 0 0 "[ . 1]" 1
446 1 31 ARG H 1 31 ARG HD2 . . 5.500 2.596 2.312 2.671 . 0 0 "[ . 1]" 1
447 1 31 ARG H 1 32 TRP H . . 2.800 2.622 2.584 2.672 . 0 0 "[ . 1]" 1
448 1 31 ARG H 1 33 ASN H . . 5.500 4.232 4.186 4.302 . 0 0 "[ . 1]" 1
449 1 31 ARG HA 1 33 ASN H . . 5.500 4.329 4.250 4.399 . 0 0 "[ . 1]" 1
450 1 31 ARG HA 1 34 SER HB2 . . 3.400 2.730 2.428 3.037 . 0 0 "[ . 1]" 1
451 1 31 ARG HA 1 34 SER HB3 . . 5.500 3.362 2.741 3.995 . 0 0 "[ . 1]" 1
452 1 31 ARG HB3 1 32 TRP H . . 5.500 3.755 3.721 3.809 . 0 0 "[ . 1]" 1
453 1 31 ARG HB3 1 33 ASN H . . 5.500 5.738 5.684 5.784 0.284 2 0 "[ . 1]" 1
454 1 31 ARG HD2 2 32 TRP HZ3 . . 6.000 4.659 4.008 4.777 . 0 0 "[ . 1]" 1
455 1 31 ARG HD3 2 32 TRP HZ3 . . 6.000 3.079 2.968 3.489 . 0 0 "[ . 1]" 1
456 1 31 ARG HE 2 32 TRP HZ3 . . 6.000 4.594 4.163 6.107 0.107 5 0 "[ . 1]" 1
457 1 31 ARG HG2 1 32 TRP H . . 5.500 5.586 5.539 5.623 0.123 10 0 "[ . 1]" 1
458 1 31 ARG HG2 2 32 TRP HD1 . . 6.000 5.548 5.486 5.671 . 0 0 "[ . 1]" 1
459 1 31 ARG HG2 2 32 TRP HZ3 . . 6.000 3.201 3.072 3.251 . 0 0 "[ . 1]" 1
460 1 31 ARG HG3 1 34 SER H . . 5.500 5.737 5.687 5.856 0.356 5 0 "[ . 1]" 1
461 1 31 ARG HG3 2 32 TRP HD1 . . 6.000 6.197 6.109 6.271 0.271 3 0 "[ . 1]" 1
462 1 31 ARG HG3 2 32 TRP HZ3 . . 6.000 4.850 4.783 4.890 . 0 0 "[ . 1]" 1
463 1 32 TRP H 1 32 TRP QB . . 2.800 2.286 2.277 2.305 . 0 0 "[ . 1]" 1
464 1 32 TRP H 1 32 TRP HD1 . . 5.500 3.996 3.938 4.101 . 0 0 "[ . 1]" 1
465 1 32 TRP H 1 32 TRP HE3 . . 5.500 4.311 4.236 4.352 . 0 0 "[ . 1]" 1
466 1 32 TRP H 1 33 ASN H . . 2.800 2.594 2.549 2.635 . 0 0 "[ . 1]" 1
467 1 32 TRP H 1 34 SER H . . 5.500 3.937 3.898 4.021 . 0 0 "[ . 1]" 1
468 1 32 TRP HA 1 32 TRP HE1 . . 5.500 4.654 4.631 4.674 . 0 0 "[ . 1]" 1
469 1 32 TRP HA 1 32 TRP HE3 . . 5.500 5.288 5.251 5.305 . 0 0 "[ . 1]" 1
470 1 32 TRP QB 1 32 TRP HZ3 . . 5.500 4.777 4.760 4.786 . 0 0 "[ . 1]" 1
471 1 32 TRP QB 1 33 ASN H . . 5.500 2.920 2.891 2.978 . 0 0 "[ . 1]" 1
472 1 32 TRP QB 1 34 SER H . . 5.500 4.721 4.693 4.735 . 0 0 "[ . 1]" 1
473 1 32 TRP HD1 1 33 ASN H . . 5.500 5.459 5.434 5.495 . 0 0 "[ . 1]" 1
474 1 32 TRP HD1 2 31 ARG HG2 . . 6.000 5.269 4.515 5.603 . 0 0 "[ . 1]" 1
475 1 32 TRP HD1 2 31 ARG HG3 . . 6.000 4.248 4.008 4.376 . 0 0 "[ . 1]" 1
476 1 32 TRP HH2 2 27 ILE MG . . 6.000 5.211 4.964 5.331 . 0 0 "[ . 1]" 1
477 1 32 TRP HZ3 2 27 ILE MG . . 6.000 6.173 6.001 6.289 0.289 6 0 "[ . 1]" 1
478 1 32 TRP HZ3 2 31 ARG HD2 . . 6.000 6.257 6.190 6.329 0.329 10 0 "[ . 1]" 1
479 1 32 TRP HZ3 2 31 ARG HD3 . . 6.000 5.904 4.524 6.557 0.557 6 2 "[ .+ - 1]" 1
480 1 32 TRP HZ3 2 31 ARG HE . . 6.000 4.639 3.769 6.530 0.530 9 2 "[ . +-]" 1
481 1 32 TRP HZ3 2 31 ARG HG2 . . 6.000 5.211 5.132 5.275 . 0 0 "[ . 1]" 1
482 1 32 TRP HZ3 2 31 ARG HG3 . . 6.000 5.278 5.070 5.739 . 0 0 "[ . 1]" 1
483 1 33 ASN H 1 33 ASN HA . . 2.800 2.985 2.973 2.999 0.199 10 0 "[ . 1]" 1
484 1 33 ASN H 1 33 ASN QD . . 5.500 3.935 2.715 4.635 . 0 0 "[ . 1]" 1
485 1 33 ASN H 1 33 ASN HD22 . . 5.500 4.122 2.740 5.083 . 0 0 "[ . 1]" 1
486 1 33 ASN H 1 34 SER H . . 2.800 2.341 2.283 2.431 . 0 0 "[ . 1]" 1
487 1 33 ASN HB2 1 34 SER H . . 5.500 3.843 3.524 4.071 . 0 0 "[ . 1]" 1
488 1 33 ASN HB3 1 34 SER H . . 5.500 3.879 3.589 4.187 . 0 0 "[ . 1]" 1
489 1 34 SER H 1 34 SER HA . . 2.800 2.808 2.783 2.827 0.027 9 0 "[ . 1]" 1
490 2 1 THR HA 2 2 ARG H . . 2.800 2.790 2.519 3.038 0.238 10 0 "[ . 1]" 1
491 2 1 THR HA 2 3 GLY H . . 5.500 3.685 3.125 5.810 0.310 3 0 "[ . 1]" 1
492 2 1 THR HA 2 5 THR H . . 5.500 5.374 4.196 5.755 0.255 1 0 "[ . 1]" 1
493 2 1 THR HB 2 2 ARG H . . 5.500 4.555 4.374 4.738 . 0 0 "[ . 1]" 1
494 2 1 THR MG 2 2 ARG H . . 5.500 4.187 3.927 4.541 . 0 0 "[ . 1]" 1
495 2 1 THR MG 2 3 GLY H . . 5.500 4.775 3.562 5.731 0.231 10 0 "[ . 1]" 1
496 2 2 ARG H 2 2 ARG HG2 . . 5.500 3.399 2.112 4.776 . 0 0 "[ . 1]" 1
497 2 2 ARG HA 2 3 GLY H . . 3.400 3.338 2.108 3.593 0.193 10 0 "[ . 1]" 1
498 2 2 ARG HB2 2 3 GLY H . . 5.500 4.128 3.878 4.422 . 0 0 "[ . 1]" 1
499 2 2 ARG HB3 2 3 GLY H . . 5.500 3.721 2.521 4.385 . 0 0 "[ . 1]" 1
500 2 2 ARG HG2 2 3 GLY H . . 5.500 3.429 2.567 4.261 . 0 0 "[ . 1]" 1
501 2 2 ARG HG2 2 6 ASP H . . 5.500 5.012 3.845 5.805 0.305 2 0 "[ . 1]" 1
502 2 2 ARG HG3 2 4 THR H . . 5.500 4.137 1.904 5.691 0.191 3 0 "[ . 1]" 1
503 2 3 GLY H 2 4 THR H . . 3.400 2.850 2.469 3.590 0.190 7 0 "[ . 1]" 1
504 2 3 GLY H 2 5 THR H . . 5.500 3.702 2.728 4.749 . 0 0 "[ . 1]" 1
505 2 3 GLY HA2 2 4 THR H . . 5.500 3.377 3.212 3.512 . 0 0 "[ . 1]" 1
506 2 3 GLY HA3 2 4 THR H . . 3.400 3.041 2.192 3.392 . 0 0 "[ . 1]" 1
507 2 3 GLY HA3 2 5 THR H . . 5.500 4.781 4.105 5.037 . 0 0 "[ . 1]" 1
508 2 3 GLY HA3 2 6 ASP H . . 5.500 5.693 5.469 5.978 0.478 6 0 "[ . 1]" 1
509 2 4 THR H 2 5 THR H . . 3.400 2.502 2.048 3.019 . 0 0 "[ . 1]" 1
510 2 4 THR HA 2 5 THR H . . 5.500 2.956 2.562 3.185 . 0 0 "[ . 1]" 1
511 2 4 THR HA 2 7 ASN H . . 5.500 4.450 4.135 5.425 . 0 0 "[ . 1]" 1
512 2 4 THR MG 2 7 ASN H . . 5.500 5.638 5.118 5.843 0.343 4 0 "[ . 1]" 1
513 2 5 THR H 2 5 THR HB . . 3.400 3.066 2.743 3.432 0.032 2 0 "[ . 1]" 1
514 2 5 THR H 2 9 ILE MD . . 6.000 6.465 6.376 6.569 0.569 5 3 "[ + *-]" 1
515 2 5 THR HA 2 6 ASP H . . 3.400 3.528 3.149 3.605 0.205 10 0 "[ . 1]" 1
516 2 5 THR HA 2 7 ASN H . . 5.500 4.004 3.124 4.294 . 0 0 "[ . 1]" 1
517 2 5 THR HA 2 8 LEU H . . 5.500 4.831 3.559 5.387 . 0 0 "[ . 1]" 1
518 2 5 THR MG 2 6 ASP H . . 5.500 3.190 2.054 4.443 . 0 0 "[ . 1]" 1
519 2 5 THR MG 2 8 LEU H . . 5.500 5.413 3.632 5.743 0.243 5 0 "[ . 1]" 1
520 2 6 ASP H 2 6 ASP HA . . 2.800 2.962 2.922 2.987 0.187 6 0 "[ . 1]" 1
521 2 6 ASP H 2 7 ASN HA . . 5.500 4.992 4.859 5.247 . 0 0 "[ . 1]" 1
522 2 6 ASP H 2 9 ILE MD . . 5.500 5.352 5.139 5.504 0.004 5 0 "[ . 1]" 1
523 2 6 ASP HA 2 7 ASN H . . 5.500 3.059 2.928 3.202 . 0 0 "[ . 1]" 1
524 2 6 ASP HA 2 8 LEU H . . 5.500 3.362 3.199 3.789 . 0 0 "[ . 1]" 1
525 2 6 ASP HB2 2 7 ASN H . . 5.000 4.484 4.402 4.555 . 0 0 "[ . 1]" 1
526 2 6 ASP HB2 2 8 LEU H . . 5.500 5.309 4.733 5.739 0.239 8 0 "[ . 1]" 1
527 2 6 ASP HB2 2 9 ILE MD . . 6.000 3.531 3.120 3.783 . 0 0 "[ . 1]" 1
528 2 6 ASP HB2 2 9 ILE HG12 . . 5.500 5.561 5.057 5.793 0.293 8 0 "[ . 1]" 1
529 2 7 ASN H 2 7 ASN HA . . 2.800 2.975 2.839 3.014 0.214 9 0 "[ . 1]" 1
530 2 7 ASN H 2 7 ASN QD . . 5.500 4.485 4.302 4.572 . 0 0 "[ . 1]" 1
531 2 7 ASN H 2 8 LEU H . . 3.400 2.264 2.137 2.718 . 0 0 "[ . 1]" 1
532 2 7 ASN H 2 8 LEU HB3 . . 5.500 5.536 5.255 5.649 0.149 6 0 "[ . 1]" 1
533 2 7 ASN HA 2 8 LEU H . . 3.400 3.316 3.088 3.417 0.017 10 0 "[ . 1]" 1
534 2 7 ASN HB2 2 8 LEU H . . 5.500 4.210 3.881 4.391 . 0 0 "[ . 1]" 1
535 2 7 ASN HB3 2 8 LEU H . . 5.500 3.622 3.238 3.967 . 0 0 "[ . 1]" 1
536 2 7 ASN QD 2 9 ILE MD . . 5.500 4.745 4.662 4.851 . 0 0 "[ . 1]" 1
537 2 7 ASN QD 2 9 ILE HG12 . . 5.500 3.870 3.621 4.068 . 0 0 "[ . 1]" 1
538 2 7 ASN QD 2 9 ILE HG13 . . 5.500 4.860 4.618 5.020 . 0 0 "[ . 1]" 1
539 2 7 ASN QD 2 10 PRO HG3 . . 5.500 4.945 4.373 5.346 . 0 0 "[ . 1]" 1
540 2 8 LEU H 2 8 LEU HA . . 2.800 2.902 2.814 2.951 0.151 9 0 "[ . 1]" 1
541 2 8 LEU H 2 8 LEU MD1 . . 5.500 2.651 2.285 3.763 . 0 0 "[ . 1]" 1
542 2 8 LEU H 2 8 LEU MD2 . . 5.500 3.923 2.870 4.233 . 0 0 "[ . 1]" 1
543 2 8 LEU H 2 9 ILE H . . 3.400 3.055 2.700 3.305 . 0 0 "[ . 1]" 1
544 2 8 LEU HA 2 9 ILE H . . 3.400 3.007 2.894 3.188 . 0 0 "[ . 1]" 1
545 2 8 LEU HA 2 11 VAL HB . . 5.500 4.789 4.707 5.044 . 0 0 "[ . 1]" 1
546 2 8 LEU HA 2 11 VAL QG . . 5.500 2.099 2.037 2.153 . 0 0 "[ . 1]" 1
547 2 8 LEU HB3 2 9 ILE H . . 5.500 4.492 4.398 4.763 . 0 0 "[ . 1]" 1
548 2 8 LEU MD1 2 9 ILE H . . 5.500 4.729 3.331 5.556 0.056 4 0 "[ . 1]" 1
549 2 8 LEU MD2 2 12 TYR QD . . 5.500 3.913 2.966 4.979 . 0 0 "[ . 1]" 1
550 2 8 LEU MD2 2 12 TYR QE . . 5.500 3.722 2.203 5.511 0.011 4 0 "[ . 1]" 1
551 2 8 LEU HG 2 11 VAL QG . . 5.500 2.817 2.069 4.283 . 0 0 "[ . 1]" 1
552 2 9 ILE H 2 9 ILE MD . . 5.500 2.534 2.375 2.867 . 0 0 "[ . 1]" 1
553 2 9 ILE H 2 9 ILE HG12 . . 5.500 1.955 1.893 1.998 . 0 0 "[ . 1]" 1
554 2 9 ILE H 2 9 ILE HG13 . . 3.400 3.505 3.459 3.537 0.137 7 0 "[ . 1]" 1
555 2 9 ILE H 2 10 PRO HD2 . . 5.500 2.366 2.309 2.531 . 0 0 "[ . 1]" 1
556 2 9 ILE H 2 10 PRO HD3 . . 5.500 3.226 3.140 3.349 . 0 0 "[ . 1]" 1
557 2 9 ILE H 2 10 PRO HG3 . . 5.500 4.946 4.861 5.077 . 0 0 "[ . 1]" 1
558 2 9 ILE HA 2 11 VAL QG . . 5.500 4.538 4.471 4.586 . 0 0 "[ . 1]" 1
559 2 9 ILE MD 2 10 PRO HD2 . . 5.500 4.481 4.377 4.784 . 0 0 "[ . 1]" 1
560 2 9 ILE MD 2 10 PRO HD3 . . 5.500 4.671 4.636 4.846 . 0 0 "[ . 1]" 1
561 2 9 ILE MD 2 12 TYR HB2 . . 5.500 4.609 4.281 4.708 . 0 0 "[ . 1]" 1
562 2 9 ILE MD 2 12 TYR QD . . 5.500 4.664 4.424 5.021 . 0 0 "[ . 1]" 1
563 2 9 ILE MD 2 12 TYR QE . . 5.500 5.673 5.608 5.716 0.216 3 0 "[ . 1]" 1
564 2 9 ILE MG 2 10 PRO HA . . 5.500 3.973 3.721 4.085 . 0 0 "[ . 1]" 1
565 2 9 ILE MG 2 10 PRO HD2 . . 5.500 4.391 4.331 4.433 . 0 0 "[ . 1]" 1
566 2 9 ILE MG 2 10 PRO HD3 . . 5.500 3.701 3.610 3.746 . 0 0 "[ . 1]" 1
567 2 9 ILE MG 2 12 TYR HB2 . . 5.500 4.337 4.154 4.447 . 0 0 "[ . 1]" 1
568 2 9 ILE MG 2 12 TYR QD . . 5.500 5.324 5.233 5.365 . 0 0 "[ . 1]" 1
569 2 9 ILE MG 2 13 CYS HB2 . . 5.500 4.333 4.213 4.545 . 0 0 "[ . 1]" 1
570 2 9 ILE MG 2 13 CYS HB3 . . 5.500 5.358 5.283 5.408 . 0 0 "[ . 1]" 1
571 2 10 PRO HA 2 12 TYR H . . 5.500 4.560 4.520 4.604 . 0 0 "[ . 1]" 1
572 2 10 PRO HA 2 13 CYS HB2 . . 5.500 3.560 3.348 3.803 . 0 0 "[ . 1]" 1
573 2 10 PRO HA 2 13 CYS HB3 . . 5.500 3.164 2.973 3.567 . 0 0 "[ . 1]" 1
574 2 10 PRO HA 2 14 SER H . . 5.500 4.756 4.570 5.041 . 0 0 "[ . 1]" 1
575 2 10 PRO HB2 2 11 VAL QG . . 5.500 3.947 3.612 4.162 . 0 0 "[ . 1]" 1
576 2 11 VAL HA 2 12 TYR H . . 5.500 3.610 3.574 3.640 . 0 0 "[ . 1]" 1
577 2 11 VAL HA 2 14 SER H . . 3.400 3.337 3.238 3.487 0.087 10 0 "[ . 1]" 1
578 2 11 VAL HA 2 14 SER HB2 . . 3.400 3.257 3.036 3.502 0.102 10 0 "[ . 1]" 1
579 2 11 VAL HA 2 14 SER HB3 . . 3.400 3.171 3.012 3.348 . 0 0 "[ . 1]" 1
580 2 11 VAL HA 2 15 ILE H . . 5.500 4.308 4.214 4.459 . 0 0 "[ . 1]" 1
581 2 11 VAL HB 2 12 TYR H . . 5.500 4.247 4.118 4.313 . 0 0 "[ . 1]" 1
582 2 11 VAL HB 2 14 SER H . . 5.500 5.367 5.200 5.472 . 0 0 "[ . 1]" 1
583 2 11 VAL HB 2 15 ILE MD . . 5.500 4.959 3.925 5.551 0.051 6 0 "[ . 1]" 1
584 2 11 VAL HB 2 15 ILE MG . . 5.500 4.862 3.982 5.407 . 0 0 "[ . 1]" 1
585 2 11 VAL QG 2 12 TYR H . . 3.400 2.302 2.254 2.331 . 0 0 "[ . 1]" 1
586 2 11 VAL QG 2 12 TYR HA . . 5.500 3.222 3.148 3.301 . 0 0 "[ . 1]" 1
587 2 11 VAL QG 2 12 TYR HB2 . . 5.500 3.805 3.708 3.897 . 0 0 "[ . 1]" 1
588 2 11 VAL QG 2 12 TYR QD . . 5.500 3.123 2.205 3.731 . 0 0 "[ . 1]" 1
589 2 11 VAL QG 2 12 TYR QE . . 5.500 4.281 3.453 4.781 . 0 0 "[ . 1]" 1
590 2 11 VAL QG 2 14 SER H . . 5.500 4.403 4.281 4.579 . 0 0 "[ . 1]" 1
591 2 11 VAL QG 2 14 SER HB3 . . 5.500 4.035 3.713 4.552 . 0 0 "[ . 1]" 1
592 2 11 VAL QG 2 15 ILE HB . . 5.500 5.426 5.378 5.513 0.013 5 0 "[ . 1]" 1
593 2 11 VAL QG 2 15 ILE MG . . 5.500 3.397 3.204 3.726 . 0 0 "[ . 1]" 1
594 2 12 TYR H 2 12 TYR QD . . 5.500 3.144 2.565 3.482 . 0 0 "[ . 1]" 1
595 2 12 TYR H 2 12 TYR QE . . 5.500 5.287 4.886 5.502 0.002 8 0 "[ . 1]" 1
596 2 12 TYR H 2 14 SER H . . 5.500 4.231 4.185 4.287 . 0 0 "[ . 1]" 1
597 2 12 TYR HA 2 14 SER H . . 5.500 4.153 4.043 4.239 . 0 0 "[ . 1]" 1
598 2 12 TYR HA 2 15 ILE H . . 5.500 3.687 3.507 3.810 . 0 0 "[ . 1]" 1
599 2 12 TYR HA 2 15 ILE HB . . 5.500 5.160 4.865 5.372 . 0 0 "[ . 1]" 1
600 2 12 TYR HA 2 15 ILE MD . . 2.800 2.666 2.442 2.825 0.025 8 0 "[ . 1]" 1
601 2 12 TYR HA 2 15 ILE MG . . 5.500 4.349 4.222 4.443 . 0 0 "[ . 1]" 1
602 2 12 TYR HA 2 16 LEU H . . 5.500 3.488 3.187 3.671 . 0 0 "[ . 1]" 1
603 2 12 TYR HB2 2 12 TYR QD . . 3.400 2.559 2.381 2.816 . 0 0 "[ . 1]" 1
604 2 12 TYR HB2 2 15 ILE MD . . 5.500 4.930 4.677 5.134 . 0 0 "[ . 1]" 1
605 2 12 TYR HB2 2 16 LEU MD1 . . 5.500 4.845 4.487 5.092 . 0 0 "[ . 1]" 1
606 2 12 TYR HB2 2 16 LEU MD2 . . 5.500 5.536 5.458 5.633 0.133 10 0 "[ . 1]" 1
607 2 12 TYR HB3 2 14 SER H . . 5.500 5.147 5.113 5.180 . 0 0 "[ . 1]" 1
608 2 12 TYR HB3 2 15 ILE MD . . 5.500 4.746 4.447 4.947 . 0 0 "[ . 1]" 1
609 2 12 TYR QD 2 15 ILE H . . 5.500 5.411 5.330 5.470 . 0 0 "[ . 1]" 1
610 2 12 TYR QD 2 15 ILE MD . . 3.400 3.073 2.523 3.406 0.006 3 0 "[ . 1]" 1
611 2 12 TYR QD 2 16 LEU HB2 . . 5.500 3.146 2.465 4.080 . 0 0 "[ . 1]" 1
612 2 12 TYR QD 2 16 LEU MD1 . . 5.500 2.581 2.517 2.717 . 0 0 "[ . 1]" 1
613 2 12 TYR QD 2 16 LEU MD2 . . 5.500 4.232 4.211 4.291 . 0 0 "[ . 1]" 1
614 2 12 TYR QD 2 16 LEU HG . . 5.500 5.194 4.821 5.700 0.200 10 0 "[ . 1]" 1
615 2 12 TYR QE 2 15 ILE MD . . 5.500 3.385 2.894 3.630 . 0 0 "[ . 1]" 1
616 2 12 TYR QE 2 16 LEU MD2 . . 5.500 5.607 5.564 5.629 0.129 6 0 "[ . 1]" 1
617 2 13 CYS HA 2 14 SER H . . 5.500 3.556 3.515 3.584 . 0 0 "[ . 1]" 1
618 2 13 CYS HA 2 16 LEU H . . 5.500 3.950 3.806 4.189 . 0 0 "[ . 1]" 1
619 2 13 CYS HA 2 16 LEU HB2 . . 5.500 3.862 3.708 4.151 . 0 0 "[ . 1]" 1
620 2 13 CYS HA 2 16 LEU HB3 . . 3.400 2.720 2.447 3.213 . 0 0 "[ . 1]" 1
621 2 13 CYS HA 2 16 LEU MD1 . . 5.500 4.652 4.489 4.974 . 0 0 "[ . 1]" 1
622 2 13 CYS HA 2 16 LEU MD2 . . 5.500 3.460 3.120 4.017 . 0 0 "[ . 1]" 1
623 2 13 CYS HA 2 17 ALA H . . 5.500 3.469 3.355 3.652 . 0 0 "[ . 1]" 1
624 2 13 CYS HB2 2 14 SER H . . 5.500 4.046 3.992 4.143 . 0 0 "[ . 1]" 1
625 2 13 CYS HB2 2 16 LEU MD2 . . 5.500 5.055 4.632 5.706 0.206 9 0 "[ . 1]" 1
626 2 13 CYS HB3 2 14 SER H . . 5.500 2.936 2.861 3.031 . 0 0 "[ . 1]" 1
627 2 14 SER H 2 14 SER HA . . 2.800 2.891 2.862 2.931 0.131 2 0 "[ . 1]" 1
628 2 14 SER H 2 15 ILE QG . . 5.500 4.003 3.866 4.120 . 0 0 "[ . 1]" 1
629 2 14 SER H 2 15 ILE MG . . 5.500 4.667 4.575 4.722 . 0 0 "[ . 1]" 1
630 2 14 SER H 2 16 LEU H . . 5.500 4.009 3.980 4.034 . 0 0 "[ . 1]" 1
631 2 14 SER H 2 17 ALA MB . . 5.500 4.780 4.739 4.811 . 0 0 "[ . 1]" 1
632 2 14 SER HA 2 15 ILE H . . 5.500 3.624 3.614 3.639 . 0 0 "[ . 1]" 1
633 2 14 SER HA 2 17 ALA H . . 3.400 3.903 3.876 3.937 0.537 8 5 "[ **.* +-1]" 1
634 2 14 SER HA 2 17 ALA MB . . 3.400 3.125 3.020 3.201 . 0 0 "[ . 1]" 1
635 2 14 SER HA 2 18 ALA H . . 5.500 4.360 4.254 4.451 . 0 0 "[ . 1]" 1
636 2 14 SER HB2 2 15 ILE H . . 5.500 3.623 3.593 3.645 . 0 0 "[ . 1]" 1
637 2 14 SER HB2 2 17 ALA H . . 5.500 5.938 5.910 5.969 0.469 6 0 "[ . 1]" 1
638 2 14 SER HB3 2 15 ILE H . . 5.500 2.192 2.167 2.221 . 0 0 "[ . 1]" 1
639 2 14 SER HB3 2 18 ALA MB . . 5.500 5.571 5.379 5.695 0.195 8 0 "[ . 1]" 1
640 2 15 ILE H 2 15 ILE MD . . 5.500 3.566 3.518 3.602 . 0 0 "[ . 1]" 1
641 2 15 ILE H 2 15 ILE QG . . 3.400 2.029 1.984 2.056 . 0 0 "[ . 1]" 1
642 2 15 ILE H 2 16 LEU H . . 5.500 2.687 2.643 2.749 . 0 0 "[ . 1]" 1
643 2 15 ILE H 2 17 ALA H . . 5.500 4.379 4.345 4.403 . 0 0 "[ . 1]" 1
644 2 15 ILE HA 2 17 ALA H . . 5.500 4.645 4.628 4.658 . 0 0 "[ . 1]" 1
645 2 15 ILE HA 2 18 ALA H . . 3.400 3.446 3.402 3.490 0.090 6 0 "[ . 1]" 1
646 2 15 ILE HA 2 18 ALA MB . . 3.400 2.699 2.649 2.737 . 0 0 "[ . 1]" 1
647 2 15 ILE HA 2 19 VAL H . . 5.500 3.914 3.880 3.938 . 0 0 "[ . 1]" 1
648 2 15 ILE HB 2 16 LEU H . . 5.500 3.774 3.721 3.804 . 0 0 "[ . 1]" 1
649 2 15 ILE HB 2 18 ALA H . . 5.500 5.385 5.340 5.441 . 0 0 "[ . 1]" 1
650 2 15 ILE HB 2 19 VAL H . . 5.500 4.727 4.690 4.743 . 0 0 "[ . 1]" 1
651 2 15 ILE HB 2 19 VAL MG2 . . 5.500 3.365 3.299 3.416 . 0 0 "[ . 1]" 1
652 2 15 ILE MD 2 16 LEU H . . 5.500 3.915 3.870 3.936 . 0 0 "[ . 1]" 1
653 2 15 ILE MD 2 18 ALA MB . . 5.500 5.821 5.795 5.835 0.335 5 0 "[ . 1]" 1
654 2 15 ILE QG 2 16 LEU H . . 5.500 2.223 2.185 2.243 . 0 0 "[ . 1]" 1
655 2 15 ILE QG 2 17 ALA H . . 5.500 4.624 4.545 4.670 . 0 0 "[ . 1]" 1
656 2 15 ILE QG 2 18 ALA H . . 5.500 5.286 5.215 5.346 . 0 0 "[ . 1]" 1
657 2 15 ILE QG 2 19 VAL H . . 5.500 5.152 5.123 5.192 . 0 0 "[ . 1]" 1
658 2 15 ILE QG 2 19 VAL MG2 . . 5.500 4.261 4.195 4.336 . 0 0 "[ . 1]" 1
659 2 15 ILE MG 2 17 ALA H . . 5.500 5.696 5.675 5.716 0.216 10 0 "[ . 1]" 1
660 2 15 ILE MG 2 18 ALA MB . . 5.500 4.013 3.968 4.053 . 0 0 "[ . 1]" 1
661 2 15 ILE MG 2 19 VAL HB . . 5.500 5.856 5.827 5.877 0.377 9 0 "[ . 1]" 1
662 2 15 ILE MG 2 19 VAL MG2 . . 5.500 4.275 4.214 4.333 . 0 0 "[ . 1]" 1
663 2 16 LEU H 2 17 ALA H . . 3.400 2.812 2.754 2.845 . 0 0 "[ . 1]" 1
664 2 16 LEU HA 2 17 ALA H . . 5.500 3.664 3.652 3.685 . 0 0 "[ . 1]" 1
665 2 16 LEU HA 2 18 ALA H . . 5.500 4.500 4.464 4.542 . 0 0 "[ . 1]" 1
666 2 16 LEU HA 2 19 VAL H . . 5.500 3.463 3.430 3.489 . 0 0 "[ . 1]" 1
667 2 16 LEU HA 2 19 VAL HB . . 3.400 2.628 2.607 2.650 . 0 0 "[ . 1]" 1
668 2 16 LEU HA 2 19 VAL MG2 . . 5.500 3.840 3.818 3.863 . 0 0 "[ . 1]" 1
669 2 16 LEU HA 2 20 VAL H . . 5.500 3.359 3.314 3.392 . 0 0 "[ . 1]" 1
670 2 16 LEU HB2 2 17 ALA H . . 5.500 3.818 3.704 3.895 . 0 0 "[ . 1]" 1
671 2 16 LEU HB2 2 20 VAL H . . 5.500 5.675 5.647 5.707 0.207 2 0 "[ . 1]" 1
672 2 16 LEU HB2 2 20 VAL MG2 . . 5.500 4.406 4.384 4.434 . 0 0 "[ . 1]" 1
673 2 16 LEU HB3 2 17 ALA H . . 5.500 2.632 2.595 2.673 . 0 0 "[ . 1]" 1
674 2 16 LEU HB3 2 19 VAL H . . 5.500 5.671 5.652 5.688 0.188 6 0 "[ . 1]" 1
675 2 16 LEU HB3 2 20 VAL H . . 5.500 5.343 5.242 5.409 . 0 0 "[ . 1]" 1
676 2 16 LEU HB3 2 20 VAL MG2 . . 5.500 4.111 3.942 4.222 . 0 0 "[ . 1]" 1
677 2 16 LEU MD1 2 20 VAL HB . . 5.500 5.311 5.116 5.573 0.073 5 0 "[ . 1]" 1
678 2 16 LEU MD1 2 20 VAL MG2 . . 5.500 3.219 3.048 3.465 . 0 0 "[ . 1]" 1
679 2 16 LEU MD2 2 20 VAL HB . . 3.400 3.809 3.735 3.862 0.462 7 0 "[ . 1]" 1
680 2 17 ALA H 2 18 ALA H . . 2.800 2.885 2.871 2.906 0.106 6 0 "[ . 1]" 1
681 2 17 ALA HA 2 18 ALA H . . 5.500 3.619 3.610 3.636 . 0 0 "[ . 1]" 1
682 2 17 ALA HA 2 19 VAL H . . 5.500 4.675 4.655 4.695 . 0 0 "[ . 1]" 1
683 2 17 ALA HA 2 20 VAL H . . 3.400 3.923 3.908 3.934 0.534 5 10 [**-*+*****] 1
684 2 17 ALA HA 2 20 VAL HB . . 2.800 2.949 2.936 2.962 0.162 3 0 "[ . 1]" 1
685 2 17 ALA HA 2 20 VAL MG1 . . 5.500 4.088 4.053 4.128 . 0 0 "[ . 1]" 1
686 2 17 ALA HA 2 20 VAL MG2 . . 5.500 4.054 4.040 4.076 . 0 0 "[ . 1]" 1
687 2 17 ALA MB 2 19 VAL H . . 5.500 4.749 4.735 4.766 . 0 0 "[ . 1]" 1
688 2 17 ALA MB 2 20 VAL H . . 5.500 5.045 5.034 5.062 . 0 0 "[ . 1]" 1
689 2 17 ALA MB 2 21 VAL HB . . 5.500 4.663 4.625 4.714 . 0 0 "[ . 1]" 1
690 2 17 ALA MB 2 21 VAL MG1 . . 5.500 5.118 5.082 5.163 . 0 0 "[ . 1]" 1
691 2 17 ALA MB 2 21 VAL MG2 . . 5.500 3.356 3.323 3.394 . 0 0 "[ . 1]" 1
692 2 18 ALA H 2 19 VAL H . . 2.800 2.754 2.710 2.792 . 0 0 "[ . 1]" 1
693 2 18 ALA H 2 19 VAL HB . . 5.500 4.783 4.713 4.843 . 0 0 "[ . 1]" 1
694 2 18 ALA H 2 20 VAL H . . 5.500 4.443 4.416 4.465 . 0 0 "[ . 1]" 1
695 2 18 ALA H 2 21 VAL HB . . 5.500 5.125 5.105 5.143 . 0 0 "[ . 1]" 1
696 2 18 ALA HA 2 19 VAL H . . 5.500 3.585 3.579 3.600 . 0 0 "[ . 1]" 1
697 2 18 ALA HA 2 20 VAL H . . 5.500 4.965 4.951 4.985 . 0 0 "[ . 1]" 1
698 2 18 ALA HA 2 21 VAL H . . 3.400 3.956 3.926 3.973 0.573 6 10 [*****+***-] 1
699 2 18 ALA HA 2 21 VAL HB . . 2.800 3.039 3.020 3.053 0.253 1 0 "[ . 1]" 1
700 2 18 ALA HA 2 22 GLY H . . 5.500 4.224 4.168 4.297 . 0 0 "[ . 1]" 1
701 2 18 ALA MB 2 21 VAL H . . 5.500 4.988 4.962 5.008 . 0 0 "[ . 1]" 1
702 2 19 VAL H 2 21 VAL H . . 5.500 4.223 4.184 4.257 . 0 0 "[ . 1]" 1
703 2 19 VAL H 2 21 VAL HB . . 5.500 5.177 5.139 5.214 . 0 0 "[ . 1]" 1
704 2 19 VAL HA 2 20 VAL H . . 5.500 3.598 3.591 3.609 . 0 0 "[ . 1]" 1
705 2 19 VAL HA 2 22 GLY H . . 3.400 3.715 3.703 3.753 0.353 9 0 "[ . 1]" 1
706 2 19 VAL HA 2 23 LEU H . . 5.500 4.102 4.071 4.132 . 0 0 "[ . 1]" 1
707 2 19 VAL HB 2 20 VAL H . . 5.500 2.605 2.578 2.640 . 0 0 "[ . 1]" 1
708 2 19 VAL MG1 2 20 VAL H . . 5.500 3.024 3.002 3.046 . 0 0 "[ . 1]" 1
709 2 19 VAL MG1 2 21 VAL H . . 5.500 5.043 5.029 5.065 . 0 0 "[ . 1]" 1
710 2 19 VAL MG1 2 22 GLY HA3 . . 5.500 5.340 5.304 5.393 . 0 0 "[ . 1]" 1
711 2 19 VAL MG2 2 20 VAL H . . 5.500 4.017 3.994 4.048 . 0 0 "[ . 1]" 1
712 2 19 VAL MG2 2 21 VAL H . . 5.500 5.642 5.614 5.661 0.161 1 0 "[ . 1]" 1
713 2 19 VAL MG2 2 23 LEU HB2 . . 5.500 5.447 5.427 5.460 . 0 0 "[ . 1]" 1
714 2 20 VAL H 2 21 VAL H . . 2.800 2.874 2.860 2.909 0.109 10 0 "[ . 1]" 1
715 2 20 VAL H 2 22 GLY H . . 5.500 4.452 4.424 4.507 . 0 0 "[ . 1]" 1
716 2 20 VAL HA 2 21 VAL H . . 5.500 3.624 3.618 3.632 . 0 0 "[ . 1]" 1
717 2 20 VAL HA 2 22 GLY H . . 5.500 4.648 4.601 4.680 . 0 0 "[ . 1]" 1
718 2 20 VAL HA 2 23 LEU H . . 3.400 3.372 3.329 3.405 0.005 1 0 "[ . 1]" 1
719 2 20 VAL HA 2 23 LEU HB2 . . 2.800 2.553 2.504 2.593 . 0 0 "[ . 1]" 1
720 2 20 VAL HA 2 23 LEU HB3 . . 3.400 2.962 2.865 3.016 . 0 0 "[ . 1]" 1
721 2 20 VAL HA 2 24 VAL H . . 5.500 3.995 3.893 4.073 . 0 0 "[ . 1]" 1
722 2 20 VAL HB 2 23 LEU H . . 5.500 5.564 5.549 5.584 0.084 5 0 "[ . 1]" 1
723 2 20 VAL MG1 2 23 LEU H . . 5.500 4.800 4.767 4.817 . 0 0 "[ . 1]" 1
724 2 20 VAL MG2 2 23 LEU H . . 5.500 5.102 5.073 5.139 . 0 0 "[ . 1]" 1
725 2 21 VAL H 2 22 GLY H . . 2.800 2.868 2.855 2.882 0.082 7 0 "[ . 1]" 1
726 2 21 VAL H 2 23 LEU H . . 5.500 4.093 4.073 4.109 . 0 0 "[ . 1]" 1
727 2 21 VAL H 2 23 LEU HB3 . . 5.500 5.777 5.741 5.817 0.317 5 0 "[ . 1]" 1
728 2 21 VAL HA 2 23 LEU H . . 5.500 4.404 4.361 4.444 . 0 0 "[ . 1]" 1
729 2 21 VAL HA 2 24 VAL H . . 3.400 3.381 3.364 3.396 . 0 0 "[ . 1]" 1
730 2 21 VAL HA 2 24 VAL HB . . 2.800 2.891 2.879 2.907 0.107 10 0 "[ . 1]" 1
731 2 21 VAL HA 2 25 ALA H . . 5.500 4.934 4.855 5.038 . 0 0 "[ . 1]" 1
732 2 21 VAL HB 2 23 LEU H . . 5.500 5.049 5.006 5.080 . 0 0 "[ . 1]" 1
733 2 22 GLY H 2 24 VAL H . . 5.500 4.237 4.206 4.260 . 0 0 "[ . 1]" 1
734 2 22 GLY HA2 2 23 LEU H . . 5.500 3.562 3.553 3.572 . 0 0 "[ . 1]" 1
735 2 22 GLY HA2 2 24 VAL H . . 5.500 4.430 4.385 4.468 . 0 0 "[ . 1]" 1
736 2 22 GLY HA2 2 25 ALA H . . 5.500 3.987 3.944 4.037 . 0 0 "[ . 1]" 1
737 2 22 GLY HA2 2 25 ALA MB . . 5.500 3.642 3.588 3.671 . 0 0 "[ . 1]" 1
738 2 22 GLY HA2 2 26 TYR H . . 5.500 4.811 4.761 4.864 . 0 0 "[ . 1]" 1
739 2 22 GLY HA3 2 24 VAL H . . 5.500 4.826 4.802 4.857 . 0 0 "[ . 1]" 1
740 2 22 GLY HA3 2 25 ALA H . . 5.500 5.151 5.122 5.174 . 0 0 "[ . 1]" 1
741 2 22 GLY HA3 2 25 ALA MB . . 5.500 4.896 4.852 4.929 . 0 0 "[ . 1]" 1
742 2 22 GLY HA3 2 26 TYR H . . 5.500 5.480 5.445 5.526 0.026 7 0 "[ . 1]" 1
743 2 23 LEU H 2 23 LEU HG . . 5.500 4.329 4.321 4.343 . 0 0 "[ . 1]" 1
744 2 23 LEU H 2 24 VAL H . . 2.800 2.764 2.729 2.792 . 0 0 "[ . 1]" 1
745 2 23 LEU H 2 25 ALA H . . 5.500 4.502 4.467 4.547 . 0 0 "[ . 1]" 1
746 2 23 LEU HA 2 24 VAL H . . 5.500 3.589 3.578 3.608 . 0 0 "[ . 1]" 1
747 2 23 LEU HA 2 25 ALA H . . 5.500 4.170 4.135 4.190 . 0 0 "[ . 1]" 1
748 2 23 LEU HA 2 26 TYR H . . 3.400 3.151 3.108 3.185 . 0 0 "[ . 1]" 1
749 2 23 LEU HA 2 26 TYR HB2 . . 3.400 3.585 3.544 3.635 0.235 9 0 "[ . 1]" 1
750 2 23 LEU HA 2 26 TYR HB3 . . 3.400 2.412 2.398 2.432 . 0 0 "[ . 1]" 1
751 2 23 LEU HA 2 27 ILE H . . 5.500 3.322 3.288 3.355 . 0 0 "[ . 1]" 1
752 2 23 LEU HB2 2 24 VAL H . . 3.400 3.570 3.537 3.610 0.210 10 0 "[ . 1]" 1
753 2 23 LEU HB2 2 25 ALA H . . 5.500 5.730 5.714 5.753 0.253 6 0 "[ . 1]" 1
754 2 23 LEU HB2 2 26 TYR H . . 5.500 5.715 5.687 5.744 0.244 6 0 "[ . 1]" 1
755 2 23 LEU HB2 2 27 ILE H . . 5.500 5.496 5.466 5.521 0.021 6 0 "[ . 1]" 1
756 2 23 LEU HB3 2 24 VAL H . . 5.500 2.989 2.967 3.008 . 0 0 "[ . 1]" 1
757 2 23 LEU HB3 2 25 ALA H . . 5.500 5.211 5.186 5.242 . 0 0 "[ . 1]" 1
758 2 23 LEU HB3 2 26 TYR H . . 5.500 5.306 5.258 5.357 . 0 0 "[ . 1]" 1
759 2 23 LEU HB3 2 26 TYR QD . . 5.500 5.631 5.605 5.653 0.153 1 0 "[ . 1]" 1
760 2 23 LEU HB3 2 27 ILE MD . . 5.500 4.766 4.683 4.906 . 0 0 "[ . 1]" 1
761 2 23 LEU MD1 2 26 TYR HB2 . . 5.500 4.625 4.590 4.657 . 0 0 "[ . 1]" 1
762 2 23 LEU MD1 2 26 TYR HB3 . . 5.500 3.697 3.659 3.729 . 0 0 "[ . 1]" 1
763 2 23 LEU MD1 2 26 TYR QD . . 5.500 3.705 3.661 3.746 . 0 0 "[ . 1]" 1
764 2 23 LEU MD1 2 26 TYR QE . . 5.500 4.846 4.794 4.901 . 0 0 "[ . 1]" 1
765 2 23 LEU MD2 2 26 TYR QD . . 5.500 4.274 4.220 4.322 . 0 0 "[ . 1]" 1
766 2 23 LEU HG 2 27 ILE MD . . 5.500 3.094 3.038 3.209 . 0 0 "[ . 1]" 1
767 2 24 VAL H 2 24 VAL HB . . 2.800 2.222 2.214 2.230 . 0 0 "[ . 1]" 1
768 2 24 VAL H 2 25 ALA H . . 2.800 2.876 2.831 2.894 0.094 6 0 "[ . 1]" 1
769 2 24 VAL H 2 26 TYR H . . 5.500 4.319 4.306 4.333 . 0 0 "[ . 1]" 1
770 2 24 VAL H 2 28 ALA MB . . 5.500 5.957 5.938 5.986 0.486 6 0 "[ . 1]" 1
771 2 24 VAL HA 2 26 TYR H . . 5.500 4.625 4.607 4.653 . 0 0 "[ . 1]" 1
772 2 24 VAL HA 2 27 ILE H . . 5.500 4.150 4.129 4.174 . 0 0 "[ . 1]" 1
773 2 24 VAL HA 2 27 ILE HB . . 3.400 3.410 3.392 3.427 0.027 3 0 "[ . 1]" 1
774 2 24 VAL HB 2 25 ALA H . . 5.500 3.741 3.719 3.753 . 0 0 "[ . 1]" 1
775 2 24 VAL HB 2 26 TYR H . . 5.500 5.830 5.809 5.850 0.350 9 0 "[ . 1]" 1
776 2 24 VAL MG1 2 25 ALA H . . 5.500 2.380 2.372 2.385 . 0 0 "[ . 1]" 1
777 2 24 VAL MG1 2 25 ALA MB . . 5.500 2.954 2.925 2.977 . 0 0 "[ . 1]" 1
778 2 24 VAL MG1 2 26 TYR H . . 5.500 4.590 4.575 4.607 . 0 0 "[ . 1]" 1
779 2 24 VAL MG2 2 25 ALA H . . 5.500 4.183 4.172 4.192 . 0 0 "[ . 1]" 1
780 2 24 VAL MG2 2 26 TYR H . . 5.500 5.693 5.672 5.723 0.223 9 0 "[ . 1]" 1
781 2 24 VAL MG2 2 28 ALA H . . 5.500 4.573 4.549 4.607 . 0 0 "[ . 1]" 1
782 2 24 VAL MG2 2 28 ALA MB . . 5.500 3.563 3.544 3.583 . 0 0 "[ . 1]" 1
783 2 25 ALA H 2 25 ALA MB . . 3.400 2.216 2.206 2.238 . 0 0 "[ . 1]" 1
784 2 25 ALA H 2 26 TYR H . . 2.800 2.556 2.548 2.567 . 0 0 "[ . 1]" 1
785 2 25 ALA H 2 27 ILE H . . 5.500 4.456 4.437 4.471 . 0 0 "[ . 1]" 1
786 2 25 ALA HA 2 26 TYR H . . 5.500 3.602 3.596 3.621 . 0 0 "[ . 1]" 1
787 2 25 ALA HA 2 27 ILE H . . 5.500 5.115 5.088 5.139 . 0 0 "[ . 1]" 1
788 2 25 ALA HA 2 28 ALA H . . 5.000 4.165 4.154 4.176 . 0 0 "[ . 1]" 1
789 2 25 ALA HA 2 28 ALA MB . . 2.800 2.978 2.954 3.013 0.213 9 0 "[ . 1]" 1
790 2 25 ALA HA 2 29 PHE H . . 5.500 3.977 3.965 3.990 . 0 0 "[ . 1]" 1
791 2 25 ALA MB 2 26 TYR H . . 5.500 2.579 2.550 2.605 . 0 0 "[ . 1]" 1
792 2 25 ALA MB 2 28 ALA H . . 5.500 5.105 5.097 5.113 . 0 0 "[ . 1]" 1
793 2 25 ALA MB 2 29 PHE H . . 5.500 4.718 4.713 4.728 . 0 0 "[ . 1]" 1
794 2 25 ALA MB 2 29 PHE HB2 . . 5.500 4.475 4.461 4.488 . 0 0 "[ . 1]" 1
795 2 25 ALA MB 2 29 PHE HB3 . . 5.500 5.251 5.237 5.275 . 0 0 "[ . 1]" 1
796 2 25 ALA MB 2 29 PHE QD . . 5.500 5.653 5.633 5.670 0.170 7 0 "[ . 1]" 1
797 2 26 TYR H 2 26 TYR QD . . 5.500 4.213 4.206 4.220 . 0 0 "[ . 1]" 1
798 2 26 TYR H 2 27 ILE H . . 2.800 2.839 2.819 2.857 0.057 9 0 "[ . 1]" 1
799 2 26 TYR H 2 28 ALA H . . 5.500 4.251 4.210 4.284 . 0 0 "[ . 1]" 1
800 2 26 TYR HA 2 26 TYR QD . . 3.400 2.698 2.673 2.748 . 0 0 "[ . 1]" 1
801 2 26 TYR HA 2 28 ALA H . . 5.500 4.738 4.696 4.769 . 0 0 "[ . 1]" 1
802 2 26 TYR HA 2 29 PHE H . . 3.400 3.684 3.648 3.718 0.318 9 0 "[ . 1]" 1
803 2 26 TYR HA 2 29 PHE HB2 . . 3.400 3.862 3.834 3.881 0.481 6 0 "[ . 1]" 1
804 2 26 TYR HA 2 29 PHE HB3 . . 3.400 3.186 3.163 3.212 . 0 0 "[ . 1]" 1
805 2 26 TYR HA 2 30 LYS H . . 5.500 3.983 3.942 4.013 . 0 0 "[ . 1]" 1
806 2 26 TYR HB2 2 27 ILE H . . 5.500 3.825 3.816 3.840 . 0 0 "[ . 1]" 1
807 2 26 TYR HB2 2 28 ALA H . . 5.500 5.992 5.974 6.014 0.514 6 3 "[ .+ *-1]" 1
808 2 26 TYR HB2 2 30 LYS QD . . 5.500 5.170 5.152 5.185 . 0 0 "[ . 1]" 1
809 2 26 TYR HB3 2 26 TYR QD . . 3.400 2.380 2.374 2.386 . 0 0 "[ . 1]" 1
810 2 26 TYR HB3 2 27 ILE H . . 5.500 2.408 2.389 2.423 . 0 0 "[ . 1]" 1
811 2 26 TYR HB3 2 28 ALA H . . 5.500 5.025 5.007 5.053 . 0 0 "[ . 1]" 1
812 2 26 TYR HB3 2 30 LYS QD . . 5.500 5.324 5.310 5.335 . 0 0 "[ . 1]" 1
813 2 26 TYR QD 2 27 ILE H . . 3.400 3.108 3.072 3.147 . 0 0 "[ . 1]" 1
814 2 26 TYR QD 2 27 ILE MD . . 3.400 2.742 2.715 2.785 . 0 0 "[ . 1]" 1
815 2 26 TYR QD 2 27 ILE HG12 . . 5.500 2.623 2.497 2.695 . 0 0 "[ . 1]" 1
816 2 26 TYR QD 2 27 ILE MG . . 5.500 4.800 4.781 4.814 . 0 0 "[ . 1]" 1
817 2 26 TYR QD 2 28 ALA H . . 5.500 5.484 5.441 5.521 0.021 6 0 "[ . 1]" 1
818 2 26 TYR QD 2 29 PHE QD . . 5.500 5.009 4.957 5.091 . 0 0 "[ . 1]" 1
819 2 26 TYR QD 2 30 LYS QD . . 5.500 3.488 3.476 3.504 . 0 0 "[ . 1]" 1
820 2 26 TYR QD 2 30 LYS HG2 . . 5.500 4.308 4.297 4.320 . 0 0 "[ . 1]" 1
821 2 26 TYR QD 2 30 LYS HG3 . . 5.500 5.677 5.669 5.689 0.189 10 0 "[ . 1]" 1
822 2 26 TYR QE 2 27 ILE H . . 5.500 5.232 5.202 5.270 . 0 0 "[ . 1]" 1
823 2 26 TYR QE 2 27 ILE MD . . 5.500 3.233 3.175 3.270 . 0 0 "[ . 1]" 1
824 2 26 TYR QE 2 27 ILE HG12 . . 5.500 4.578 4.402 4.658 . 0 0 "[ . 1]" 1
825 2 26 TYR QE 2 27 ILE MG . . 5.500 5.666 5.641 5.691 0.191 6 0 "[ . 1]" 1
826 2 26 TYR QE 2 29 PHE QD . . 5.500 5.593 5.536 5.684 0.184 9 0 "[ . 1]" 1
827 2 26 TYR QE 2 30 LYS QD . . 3.400 2.612 2.590 2.642 . 0 0 "[ . 1]" 1
828 2 26 TYR QE 2 30 LYS QE . . 5.500 3.963 3.933 3.992 . 0 0 "[ . 1]" 1
829 2 26 TYR QE 2 30 LYS HG2 . . 5.500 3.152 3.138 3.165 . 0 0 "[ . 1]" 1
830 2 26 TYR QE 2 30 LYS HG3 . . 5.500 4.554 4.546 4.559 . 0 0 "[ . 1]" 1
831 2 27 ILE H 2 28 ALA H . . 2.800 2.820 2.811 2.829 0.029 7 0 "[ . 1]" 1
832 2 27 ILE HA 2 28 ALA H . . 5.500 3.620 3.588 3.635 . 0 0 "[ . 1]" 1
833 2 27 ILE HA 2 29 PHE H . . 5.500 4.737 4.726 4.744 . 0 0 "[ . 1]" 1
834 2 27 ILE HA 2 30 LYS H . . 3.400 3.551 3.539 3.561 0.161 1 0 "[ . 1]" 1
835 2 27 ILE HA 2 30 LYS HB2 . . 3.400 2.598 2.579 2.610 . 0 0 "[ . 1]" 1
836 2 27 ILE HA 2 30 LYS HB3 . . 3.400 3.660 3.626 3.695 0.295 9 0 "[ . 1]" 1
837 2 27 ILE HA 2 31 ARG H . . 5.500 3.810 3.796 3.831 . 0 0 "[ . 1]" 1
838 2 27 ILE HB 2 28 ALA H . . 5.500 2.633 2.600 2.696 . 0 0 "[ . 1]" 1
839 2 27 ILE HB 2 29 PHE H . . 5.500 5.325 5.308 5.370 . 0 0 "[ . 1]" 1
840 2 27 ILE MD 2 28 ALA H . . 5.500 4.888 4.882 4.894 . 0 0 "[ . 1]" 1
841 2 27 ILE MD 2 31 ARG HG2 . . 5.500 5.634 5.516 5.888 0.388 9 0 "[ . 1]" 1
842 2 27 ILE MD 2 31 ARG HG3 . . 5.500 5.721 5.536 5.804 0.304 6 0 "[ . 1]" 1
843 2 27 ILE MG 2 29 PHE H . . 5.500 5.261 5.232 5.276 . 0 0 "[ . 1]" 1
844 2 27 ILE MG 2 31 ARG HB2 . . 5.500 3.605 3.563 3.637 . 0 0 "[ . 1]" 1
845 2 27 ILE MG 2 31 ARG HB3 . . 5.500 4.785 4.732 4.852 . 0 0 "[ . 1]" 1
846 2 27 ILE MG 2 31 ARG HD2 . . 3.400 2.876 2.095 3.240 . 0 0 "[ . 1]" 1
847 2 27 ILE MG 2 31 ARG HD3 . . 5.500 2.258 2.026 2.777 . 0 0 "[ . 1]" 1
848 2 27 ILE MG 2 31 ARG HE . . 5.500 3.258 3.169 3.433 . 0 0 "[ . 1]" 1
849 2 27 ILE MG 2 31 ARG HG2 . . 5.500 3.825 3.614 4.289 . 0 0 "[ . 1]" 1
850 2 28 ALA H 2 28 ALA HA . . 2.800 2.837 2.826 2.859 0.059 10 0 "[ . 1]" 1
851 2 28 ALA H 2 29 PHE H . . 2.800 2.954 2.913 2.967 0.167 7 0 "[ . 1]" 1
852 2 28 ALA H 2 30 LYS H . . 5.500 4.351 4.288 4.385 . 0 0 "[ . 1]" 1
853 2 28 ALA HA 2 29 PHE H . . 5.500 3.655 3.637 3.683 . 0 0 "[ . 1]" 1
854 2 28 ALA HA 2 30 LYS H . . 5.500 4.627 4.604 4.644 . 0 0 "[ . 1]" 1
855 2 28 ALA HA 2 31 ARG H . . 3.400 3.617 3.573 3.640 0.240 7 0 "[ . 1]" 1
856 2 28 ALA HA 2 31 ARG HB2 . . 5.500 2.919 2.890 2.977 . 0 0 "[ . 1]" 1
857 2 28 ALA HA 2 31 ARG HB3 . . 5.500 4.366 4.355 4.383 . 0 0 "[ . 1]" 1
858 2 28 ALA HA 2 31 ARG HD2 . . 5.500 4.870 3.872 5.316 . 0 0 "[ . 1]" 1
859 2 28 ALA HA 2 31 ARG HD3 . . 5.500 4.498 4.047 5.539 0.039 3 0 "[ . 1]" 1
860 2 28 ALA HA 2 32 TRP H . . 5.500 3.997 3.968 4.031 . 0 0 "[ . 1]" 1
861 2 28 ALA HA 2 32 TRP HZ3 . . 5.500 3.081 2.984 3.125 . 0 0 "[ . 1]" 1
862 2 28 ALA MB 2 29 PHE H . . 5.500 2.455 2.433 2.472 . 0 0 "[ . 1]" 1
863 2 28 ALA MB 2 30 LYS H . . 5.500 4.614 4.572 4.640 . 0 0 "[ . 1]" 1
864 2 28 ALA MB 2 31 ARG H . . 5.500 4.769 4.723 4.789 . 0 0 "[ . 1]" 1
865 2 28 ALA MB 2 32 TRP H . . 5.500 4.606 4.584 4.627 . 0 0 "[ . 1]" 1
866 2 28 ALA MB 2 32 TRP HB2 . . 5.500 4.398 4.346 4.435 . 0 0 "[ . 1]" 1
867 2 28 ALA MB 2 32 TRP HD1 . . 5.500 5.663 5.649 5.696 0.196 10 0 "[ . 1]" 1
868 2 28 ALA MB 2 32 TRP HE3 . . 5.500 3.748 3.674 3.783 . 0 0 "[ . 1]" 1
869 2 28 ALA MB 2 32 TRP HZ3 . . 5.500 3.710 3.631 3.759 . 0 0 "[ . 1]" 1
870 2 29 PHE H 2 29 PHE HA . . 2.800 2.826 2.817 2.836 0.036 10 0 "[ . 1]" 1
871 2 29 PHE H 2 29 PHE QD . . 5.500 4.087 4.070 4.101 . 0 0 "[ . 1]" 1
872 2 29 PHE H 2 30 LYS H . . 2.800 2.859 2.841 2.868 0.068 9 0 "[ . 1]" 1
873 2 29 PHE H 2 31 ARG H . . 5.500 4.440 4.426 4.473 . 0 0 "[ . 1]" 1
874 2 29 PHE HA 2 31 ARG H . . 5.500 4.600 4.575 4.635 . 0 0 "[ . 1]" 1
875 2 29 PHE HA 2 32 TRP H . . 3.400 3.374 3.360 3.391 . 0 0 "[ . 1]" 1
876 2 29 PHE HA 2 32 TRP HB2 . . 3.400 2.368 2.336 2.418 . 0 0 "[ . 1]" 1
877 2 29 PHE HA 2 32 TRP HB3 . . 3.400 3.752 3.711 3.793 0.393 9 0 "[ . 1]" 1
878 2 29 PHE HA 2 33 ASN H . . 5.500 3.842 3.766 3.897 . 0 0 "[ . 1]" 1
879 2 29 PHE HB3 2 31 ARG H . . 5.500 5.369 5.343 5.409 . 0 0 "[ . 1]" 1
880 2 29 PHE QD 2 30 LYS H . . 5.500 4.393 4.386 4.405 . 0 0 "[ . 1]" 1
881 2 29 PHE QD 2 33 ASN H . . 5.500 4.790 4.754 4.833 . 0 0 "[ . 1]" 1
882 2 29 PHE QE 2 33 ASN H . . 5.500 5.612 5.581 5.646 0.146 6 0 "[ . 1]" 1
883 2 29 PHE QE 2 33 ASN HB2 . . 5.500 5.037 4.774 5.233 . 0 0 "[ . 1]" 1
884 2 29 PHE HZ 2 33 ASN HD21 . . 5.500 4.055 2.857 5.262 . 0 0 "[ . 1]" 1
885 2 29 PHE HZ 2 33 ASN QD . . 5.500 3.884 2.800 5.067 . 0 0 "[ . 1]" 1
886 2 30 LYS H 2 30 LYS QD . . 5.500 2.703 2.692 2.714 . 0 0 "[ . 1]" 1
887 2 30 LYS H 2 30 LYS HG2 . . 5.500 4.119 4.107 4.143 . 0 0 "[ . 1]" 1
888 2 30 LYS H 2 30 LYS HG3 . . 5.500 4.363 4.352 4.390 . 0 0 "[ . 1]" 1
889 2 30 LYS H 2 31 ARG H . . 2.800 2.838 2.821 2.865 0.065 3 0 "[ . 1]" 1
890 2 30 LYS HA 2 30 LYS HB2 . . 2.800 2.965 2.957 2.972 0.172 7 0 "[ . 1]" 1
891 2 30 LYS HA 2 30 LYS HB3 . . 2.800 2.799 2.788 2.811 0.011 7 0 "[ . 1]" 1
892 2 30 LYS HA 2 33 ASN H . . 3.400 3.681 3.656 3.711 0.311 9 0 "[ . 1]" 1
893 2 30 LYS HA 2 33 ASN HB2 . . 5.500 3.368 3.180 3.632 . 0 0 "[ . 1]" 1
894 2 30 LYS HA 2 33 ASN HB3 . . 5.500 4.395 3.975 4.649 . 0 0 "[ . 1]" 1
895 2 30 LYS HB2 2 31 ARG H . . 5.500 3.045 3.020 3.088 . 0 0 "[ . 1]" 1
896 2 30 LYS QD 2 31 ARG H . . 5.500 4.836 4.823 4.857 . 0 0 "[ . 1]" 1
897 2 30 LYS QD 2 33 ASN H . . 5.500 5.769 5.755 5.783 0.283 9 0 "[ . 1]" 1
898 2 30 LYS QE 2 31 ARG H . . 5.500 5.232 5.226 5.242 . 0 0 "[ . 1]" 1
899 2 30 LYS QE 2 32 TRP H . . 5.500 5.747 5.718 5.767 0.267 2 0 "[ . 1]" 1
900 2 30 LYS HG2 2 31 ARG H . . 5.500 5.149 5.137 5.173 . 0 0 "[ . 1]" 1
901 2 30 LYS HG3 2 31 ARG H . . 5.500 5.026 5.011 5.052 . 0 0 "[ . 1]" 1
902 2 31 ARG H 2 31 ARG HD2 . . 5.500 2.877 2.721 3.175 . 0 0 "[ . 1]" 1
903 2 31 ARG H 2 32 TRP H . . 2.800 2.661 2.636 2.688 . 0 0 "[ . 1]" 1
904 2 31 ARG H 2 33 ASN H . . 5.500 4.436 4.410 4.469 . 0 0 "[ . 1]" 1
905 2 31 ARG HA 2 33 ASN H . . 5.500 4.633 4.599 4.669 . 0 0 "[ . 1]" 1
906 2 31 ARG HA 2 34 SER HB2 . . 3.400 2.818 2.339 3.107 . 0 0 "[ . 1]" 1
907 2 31 ARG HA 2 34 SER HB3 . . 5.500 3.083 2.680 3.764 . 0 0 "[ . 1]" 1
908 2 31 ARG HB2 2 32 TRP H . . 5.500 3.212 3.168 3.266 . 0 0 "[ . 1]" 1
909 2 31 ARG HB2 2 33 ASN H . . 5.500 5.661 5.626 5.709 0.209 3 0 "[ . 1]" 1
910 2 31 ARG HG2 2 32 TRP H . . 5.500 5.489 5.452 5.540 0.040 9 0 "[ . 1]" 1
911 2 31 ARG HG3 2 34 SER H . . 5.500 5.701 5.540 5.777 0.277 4 0 "[ . 1]" 1
912 2 32 TRP H 2 32 TRP HB2 . . 2.800 2.182 2.173 2.201 . 0 0 "[ . 1]" 1
913 2 32 TRP H 2 32 TRP HD1 . . 5.500 5.329 5.314 5.358 . 0 0 "[ . 1]" 1
914 2 32 TRP H 2 32 TRP HE3 . . 5.500 2.468 2.443 2.502 . 0 0 "[ . 1]" 1
915 2 32 TRP H 2 33 ASN H . . 2.800 2.680 2.652 2.708 . 0 0 "[ . 1]" 1
916 2 32 TRP H 2 34 SER H . . 5.500 3.925 3.853 3.966 . 0 0 "[ . 1]" 1
917 2 32 TRP HA 2 32 TRP HE1 . . 5.500 5.264 5.243 5.290 . 0 0 "[ . 1]" 1
918 2 32 TRP HA 2 32 TRP HE3 . . 5.500 3.134 3.088 3.252 . 0 0 "[ . 1]" 1
919 2 32 TRP HB2 2 32 TRP HZ3 . . 5.500 5.560 5.540 5.573 0.073 8 0 "[ . 1]" 1
920 2 32 TRP HB2 2 33 ASN H . . 5.500 2.897 2.880 2.919 . 0 0 "[ . 1]" 1
921 2 32 TRP HB2 2 34 SER H . . 5.500 5.070 4.992 5.115 . 0 0 "[ . 1]" 1
922 2 32 TRP HB3 2 33 ASN H . . 5.500 3.205 3.157 3.235 . 0 0 "[ . 1]" 1
923 2 32 TRP HD1 2 33 ASN H . . 5.500 5.655 5.620 5.689 0.189 10 0 "[ . 1]" 1
924 2 33 ASN H 2 33 ASN HA . . 2.800 2.907 2.895 2.927 0.127 10 0 "[ . 1]" 1
925 2 33 ASN H 2 33 ASN HD21 . . 5.500 5.240 4.800 5.451 . 0 0 "[ . 1]" 1
926 2 33 ASN H 2 33 ASN QD . . 5.500 4.258 3.763 4.584 . 0 0 "[ . 1]" 1
927 2 33 ASN H 2 34 SER H . . 2.800 2.637 2.605 2.663 . 0 0 "[ . 1]" 1
928 2 33 ASN HB2 2 34 SER H . . 5.500 3.519 3.281 3.717 . 0 0 "[ . 1]" 1
929 2 33 ASN HB3 2 34 SER H . . 5.500 3.660 3.396 3.979 . 0 0 "[ . 1]" 1
930 2 34 SER H 2 34 SER HA . . 2.800 2.841 2.818 2.865 0.065 2 0 "[ . 1]" 1
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