NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
411997 |
2b1u   |
6841 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2b1u
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 1193
_Distance_constraint_stats_list.Viol_count 1214
_Distance_constraint_stats_list.Viol_total 3181.581
_Distance_constraint_stats_list.Viol_max 0.953
_Distance_constraint_stats_list.Viol_rms 0.0447
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0067
_Distance_constraint_stats_list.Viol_average_violations_only 0.1310
_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 2 ARG 4.201 0.436 16 0 "[ . 1 . 2]"
1 3 ALA 4.159 0.436 16 0 "[ . 1 . 2]"
1 4 GLY 4.985 0.408 8 0 "[ . 1 . 2]"
1 5 LEU 8.368 0.408 8 0 "[ . 1 . 2]"
1 6 GLU 4.388 0.198 19 0 "[ . 1 . 2]"
1 7 ASP 1.753 0.638 6 1 "[ .+ 1 . 2]"
1 8 LEU 3.923 0.638 6 1 "[ .+ 1 . 2]"
1 9 GLN 13.800 0.548 20 3 "[ *. 1- . +]"
1 10 VAL 7.147 0.507 20 3 "[ *. 1- . +]"
1 11 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 PHE 1.886 0.149 3 0 "[ . 1 . 2]"
1 13 ARG 0.052 0.020 8 0 "[ . 1 . 2]"
1 14 ALA 0.029 0.029 11 0 "[ . 1 . 2]"
1 15 PHE 2.785 0.533 3 1 "[ + . 1 . 2]"
1 16 ASP 1.697 0.317 14 0 "[ . 1 . 2]"
1 17 GLN 9.044 0.489 17 0 "[ . 1 . 2]"
1 18 ASP 4.440 0.489 17 0 "[ . 1 . 2]"
1 19 GLY 11.589 0.953 19 5 "[ *. * 1- *. +2]"
1 20 ASP 1.734 0.769 14 1 "[ . 1 +. 2]"
1 21 GLY 4.762 0.953 19 4 "[ *. * 1- . +2]"
1 22 HIS 4.069 0.560 2 1 "[ + . 1 . 2]"
1 23 ILE 3.160 0.533 3 1 "[ + . 1 . 2]"
1 24 THR 2.556 0.135 8 0 "[ . 1 . 2]"
1 25 VAL 0.923 0.099 4 0 "[ . 1 . 2]"
1 26 ASP 3.779 0.338 10 0 "[ . 1 . 2]"
1 27 GLU 3.637 0.208 6 0 "[ . 1 . 2]"
1 28 LEU 12.978 0.737 2 7 "[*+ .** -1 * . *2]"
1 29 ARG 8.076 0.562 10 6 "[* . * + .-* *2]"
1 30 ARG 1.543 0.258 19 0 "[ . 1 . 2]"
1 31 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 ALA 2.156 0.547 4 1 "[ +. 1 . 2]"
1 34 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 LEU 12.538 0.675 3 7 "[* + . *1 * *-* 2]"
1 36 GLY 0.917 0.264 13 0 "[ . 1 . 2]"
1 37 GLN 2.156 0.547 4 1 "[ +. 1 . 2]"
1 38 PRO 15.174 0.757 9 8 "[* * .* +1 * *-* 2]"
1 39 LEU 0.570 0.076 1 0 "[ . 1 . 2]"
1 40 PRO 4.147 0.757 9 2 "[ .- +1 . 2]"
1 41 GLN 2.421 0.179 15 0 "[ . 1 . 2]"
1 42 GLU 4.130 0.880 16 2 "[ - . 1 .+ 2]"
1 43 GLU 4.558 0.880 16 2 "[ - . 1 .+ 2]"
1 44 LEU 6.147 0.338 10 0 "[ . 1 . 2]"
1 45 ASP 8.446 0.365 3 0 "[ . 1 . 2]"
1 46 ALA 4.035 0.398 7 0 "[ . 1 . 2]"
1 47 MET 13.602 0.778 10 8 "[** .** -+ * . *2]"
1 48 ILE 5.273 0.544 15 1 "[ . 1 + 2]"
1 49 ARG 3.397 0.398 7 0 "[ . 1 . 2]"
1 50 GLU 1.279 0.778 10 1 "[ . + . 2]"
1 51 ALA 0.234 0.212 14 0 "[ . 1 . 2]"
1 52 ASP 3.046 0.361 9 0 "[ . 1 . 2]"
1 53 VAL 1.096 0.152 13 0 "[ . 1 . 2]"
1 54 ASP 1.805 0.304 20 0 "[ . 1 . 2]"
1 55 GLN 1.801 0.304 20 0 "[ . 1 . 2]"
1 56 ASP 3.427 0.511 12 1 "[ . 1 + . 2]"
1 57 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 ARG 0.485 0.071 14 0 "[ . 1 . 2]"
1 59 VAL 0.893 0.158 4 0 "[ . 1 . 2]"
1 60 ASN 1.998 0.560 2 1 "[ + . 1 . 2]"
1 61 TYR 7.560 0.826 12 2 "[ . 1 + . -]"
1 62 GLU 2.958 0.477 18 0 "[ . 1 . 2]"
1 63 GLU 0.866 0.419 4 0 "[ . 1 . 2]"
1 64 PHE 6.529 0.826 12 2 "[ . 1 + - 2]"
1 65 ALA 0.503 0.061 2 0 "[ . 1 . 2]"
1 66 ARG 4.717 0.568 20 2 "[ . 1 - . +]"
1 67 MET 5.519 0.568 20 2 "[ . 1 - . +]"
1 68 LEU 6.330 0.416 13 0 "[ . 1 . 2]"
1 69 ALA 2.321 0.369 15 0 "[ . 1 . 2]"
1 70 GLN 3.250 0.310 10 0 "[ . 1 . 2]"
1 71 GLU 0.796 0.120 16 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 ARG HA 1 3 ALA H . . 2.900 2.112 1.963 2.398 . 0 0 "[ . 1 . 2]" 1
2 1 2 ARG HA 1 3 ALA MB . . 4.500 3.840 3.802 3.901 . 0 0 "[ . 1 . 2]" 1
3 1 2 ARG HA 1 6 GLU H . . 6.500 5.649 4.472 6.542 0.042 11 0 "[ . 1 . 2]" 1
4 1 2 ARG HB2 1 3 ALA H . . 3.900 3.868 2.248 4.336 0.436 16 0 "[ . 1 . 2]" 1
5 1 2 ARG HB2 1 5 LEU QD . . 7.500 5.591 4.079 6.716 . 0 0 "[ . 1 . 2]" 1
6 1 2 ARG HB3 1 3 ALA H . . 4.300 3.538 2.003 4.216 . 0 0 "[ . 1 . 2]" 1
7 1 2 ARG QD 1 3 ALA H . . 7.500 4.037 2.279 5.590 . 0 0 "[ . 1 . 2]" 1
8 1 2 ARG QD 1 68 LEU MD1 . . 8.500 5.942 4.826 6.366 . 0 0 "[ . 1 . 2]" 1
9 1 2 ARG QD 1 68 LEU MD2 . . 8.500 6.173 4.704 6.400 . 0 0 "[ . 1 . 2]" 1
10 1 2 ARG QG 1 3 ALA H . . 7.500 3.324 1.917 4.651 . 0 0 "[ . 1 . 2]" 1
11 1 2 ARG QG 1 5 LEU QD . . 8.500 5.173 3.000 6.557 . 0 0 "[ . 1 . 2]" 1
12 1 3 ALA H 1 3 ALA MB . . 3.400 2.169 1.972 2.362 . 0 0 "[ . 1 . 2]" 1
13 1 3 ALA H 1 4 GLY H . . 6.200 3.939 3.028 4.524 . 0 0 "[ . 1 . 2]" 1
14 1 3 ALA H 1 5 LEU QD . . 7.500 6.734 6.358 6.820 . 0 0 "[ . 1 . 2]" 1
15 1 3 ALA HA 1 4 GLY H . . 4.000 2.833 2.110 3.535 . 0 0 "[ . 1 . 2]" 1
16 1 3 ALA HA 1 6 GLU H . . 4.800 3.886 3.314 4.785 . 0 0 "[ . 1 . 2]" 1
17 1 3 ALA MB 1 4 GLY H . . 3.900 2.110 1.808 3.386 . 0 0 "[ . 1 . 2]" 1
18 1 3 ALA MB 1 5 LEU HA . . 7.500 6.285 6.011 6.366 . 0 0 "[ . 1 . 2]" 1
19 1 3 ALA MB 1 7 ASP HB2 . . 7.500 2.670 2.024 3.289 . 0 0 "[ . 1 . 2]" 1
20 1 3 ALA MB 1 7 ASP HB3 . . 7.500 3.520 1.970 4.141 . 0 0 "[ . 1 . 2]" 1
21 1 3 ALA MB 1 8 LEU H . . 7.500 4.882 3.997 5.347 . 0 0 "[ . 1 . 2]" 1
22 1 3 ALA MB 1 8 LEU MD1 . . 8.500 5.692 3.932 5.994 . 0 0 "[ . 1 . 2]" 1
23 1 3 ALA MB 1 8 LEU MD2 . . 8.300 4.985 3.405 5.922 . 0 0 "[ . 1 . 2]" 1
24 1 3 ALA MB 1 35 LEU QD . . 8.500 4.145 3.141 4.756 . 0 0 "[ . 1 . 2]" 1
25 1 3 ALA MB 1 37 GLN QE . . 7.500 5.724 4.624 6.702 . 0 0 "[ . 1 . 2]" 1
26 1 3 ALA MB 1 37 GLN QG . . 8.500 6.138 4.427 6.358 . 0 0 "[ . 1 . 2]" 1
27 1 4 GLY H 1 5 LEU H . . 4.400 4.140 2.686 4.438 0.038 9 0 "[ . 1 . 2]" 1
28 1 4 GLY H 1 7 ASP HB2 . . 4.800 2.799 1.982 4.687 . 0 0 "[ . 1 . 2]" 1
29 1 4 GLY H 1 7 ASP HB3 . . 5.200 3.990 3.532 5.216 0.016 2 0 "[ . 1 . 2]" 1
30 1 4 GLY HA2 1 5 LEU H . . 3.200 3.431 2.940 3.608 0.408 8 0 "[ . 1 . 2]" 1
31 1 4 GLY HA2 1 69 ALA MB . . 7.500 6.093 4.600 7.487 . 0 0 "[ . 1 . 2]" 1
32 1 4 GLY HA3 1 5 LEU H . . 4.600 2.284 2.177 2.432 . 0 0 "[ . 1 . 2]" 1
33 1 5 LEU H 1 5 LEU HB2 . . 3.200 2.392 2.017 2.971 . 0 0 "[ . 1 . 2]" 1
34 1 5 LEU H 1 5 LEU HB3 . . 3.200 2.528 2.000 3.306 0.106 9 0 "[ . 1 . 2]" 1
35 1 5 LEU H 1 5 LEU QD . . 4.600 3.432 2.364 3.710 . 0 0 "[ . 1 . 2]" 1
36 1 5 LEU H 1 5 LEU HG . . 4.400 4.348 3.775 4.447 0.047 15 0 "[ . 1 . 2]" 1
37 1 5 LEU H 1 6 GLU H . . 4.200 3.053 2.584 3.429 . 0 0 "[ . 1 . 2]" 1
38 1 5 LEU H 1 69 ALA MB . . 7.500 4.336 2.178 5.883 . 0 0 "[ . 1 . 2]" 1
39 1 5 LEU HA 1 5 LEU QD . . 3.800 2.990 2.164 3.384 . 0 0 "[ . 1 . 2]" 1
40 1 5 LEU HA 1 5 LEU HG . . 3.900 2.754 2.238 3.821 . 0 0 "[ . 1 . 2]" 1
41 1 5 LEU HA 1 6 GLU H . . 4.700 3.533 3.386 3.626 . 0 0 "[ . 1 . 2]" 1
42 1 5 LEU HA 1 7 ASP H . . 4.500 4.519 4.322 4.584 0.084 2 0 "[ . 1 . 2]" 1
43 1 5 LEU HA 1 8 LEU QB . . 3.700 2.512 2.150 2.705 . 0 0 "[ . 1 . 2]" 1
44 1 5 LEU HA 1 8 LEU MD2 . . 7.500 4.188 1.985 5.416 . 0 0 "[ . 1 . 2]" 1
45 1 5 LEU HA 1 9 GLN H . . 5.200 3.835 3.348 4.213 . 0 0 "[ . 1 . 2]" 1
46 1 5 LEU HA 1 69 ALA MB . . 7.200 4.539 3.492 5.738 . 0 0 "[ . 1 . 2]" 1
47 1 5 LEU HB2 1 6 GLU H . . 3.900 3.871 2.755 4.098 0.198 19 0 "[ . 1 . 2]" 1
48 1 5 LEU HB3 1 6 GLU H . . 4.000 2.879 2.565 3.528 . 0 0 "[ . 1 . 2]" 1
49 1 5 LEU HB3 1 6 GLU HA . . 5.300 4.588 3.975 5.189 . 0 0 "[ . 1 . 2]" 1
50 1 5 LEU QD 1 6 GLU H . . 7.500 3.018 2.049 4.278 . 0 0 "[ . 1 . 2]" 1
51 1 5 LEU QD 1 6 GLU HA . . 8.900 3.108 2.215 5.235 . 0 0 "[ . 1 . 2]" 1
52 1 5 LEU QD 1 9 GLN HB2 . . 8.900 3.613 2.594 5.186 . 0 0 "[ . 1 . 2]" 1
53 1 5 LEU QD 1 9 GLN QE . . 7.500 4.246 2.906 5.212 . 0 0 "[ . 1 . 2]" 1
54 1 5 LEU QD 1 9 GLN QG . . 8.500 4.654 3.703 6.129 . 0 0 "[ . 1 . 2]" 1
55 1 5 LEU QD 1 65 ALA MB . . 7.600 3.029 2.084 4.081 . 0 0 "[ . 1 . 2]" 1
56 1 5 LEU QD 1 66 ARG HA . . 8.900 3.510 2.267 4.755 . 0 0 "[ . 1 . 2]" 1
57 1 5 LEU QD 1 66 ARG QG . . 8.500 4.554 3.162 5.803 . 0 0 "[ . 1 . 2]" 1
58 1 5 LEU QD 1 67 MET H . . 7.500 5.729 4.935 6.441 . 0 0 "[ . 1 . 2]" 1
59 1 5 LEU QD 1 69 ALA H . . 7.500 3.769 2.927 4.424 . 0 0 "[ . 1 . 2]" 1
60 1 5 LEU QD 1 69 ALA MB . . 8.500 2.406 1.875 3.296 . 0 0 "[ . 1 . 2]" 1
61 1 5 LEU HG 1 6 GLU H . . 6.500 4.314 3.388 5.220 . 0 0 "[ . 1 . 2]" 1
62 1 5 LEU HG 1 6 GLU HA . . 6.500 4.577 3.487 6.106 . 0 0 "[ . 1 . 2]" 1
63 1 5 LEU HG 1 9 GLN H . . 6.500 4.515 3.715 6.222 . 0 0 "[ . 1 . 2]" 1
64 1 5 LEU HG 1 9 GLN HB2 . . 6.500 4.078 3.000 5.667 . 0 0 "[ . 1 . 2]" 1
65 1 5 LEU HG 1 9 GLN QE . . 6.500 4.950 3.945 5.745 . 0 0 "[ . 1 . 2]" 1
66 1 5 LEU HG 1 9 GLN QG . . 7.500 5.730 4.528 6.700 . 0 0 "[ . 1 . 2]" 1
67 1 6 GLU H 1 6 GLU QB . . 3.900 2.276 2.078 2.581 . 0 0 "[ . 1 . 2]" 1
68 1 6 GLU H 1 7 ASP H . . 3.400 2.630 2.405 2.875 . 0 0 "[ . 1 . 2]" 1
69 1 6 GLU H 1 8 LEU HG . . 6.500 6.053 4.653 6.607 0.107 20 0 "[ . 1 . 2]" 1
70 1 6 GLU H 1 9 GLN H . . 5.300 4.687 4.454 4.843 . 0 0 "[ . 1 . 2]" 1
71 1 6 GLU HA 1 7 ASP H . . 3.900 3.556 3.531 3.590 . 0 0 "[ . 1 . 2]" 1
72 1 6 GLU HA 1 9 GLN H . . 4.000 3.468 3.106 3.797 . 0 0 "[ . 1 . 2]" 1
73 1 6 GLU HA 1 9 GLN HB2 . . 3.500 3.534 2.981 3.637 0.137 13 0 "[ . 1 . 2]" 1
74 1 6 GLU HA 1 9 GLN HB3 . . 3.600 3.242 2.827 3.625 0.025 16 0 "[ . 1 . 2]" 1
75 1 6 GLU HA 1 9 GLN QG . . 7.500 4.769 4.410 5.141 . 0 0 "[ . 1 . 2]" 1
76 1 6 GLU HA 1 10 VAL MG1 . . 7.500 6.143 5.733 6.640 . 0 0 "[ . 1 . 2]" 1
77 1 6 GLU QB 1 7 ASP H . . 4.800 2.482 2.250 2.838 . 0 0 "[ . 1 . 2]" 1
78 1 6 GLU QG 1 10 VAL MG1 . . 8.500 5.733 4.545 7.167 . 0 0 "[ . 1 . 2]" 1
79 1 7 ASP H 1 7 ASP HB2 . . 3.200 2.338 2.118 2.594 . 0 0 "[ . 1 . 2]" 1
80 1 7 ASP H 1 7 ASP HB3 . . 3.700 3.406 2.649 3.683 . 0 0 "[ . 1 . 2]" 1
81 1 7 ASP H 1 8 LEU H . . 3.400 2.705 2.388 2.909 . 0 0 "[ . 1 . 2]" 1
82 1 7 ASP H 1 8 LEU QB . . 6.100 4.519 3.830 4.835 . 0 0 "[ . 1 . 2]" 1
83 1 7 ASP H 1 8 LEU HG . . 6.500 5.248 3.753 6.370 . 0 0 "[ . 1 . 2]" 1
84 1 7 ASP H 1 9 GLN H . . 5.600 4.299 4.018 4.554 . 0 0 "[ . 1 . 2]" 1
85 1 7 ASP HA 1 8 LEU H . . 4.300 3.540 3.354 3.688 . 0 0 "[ . 1 . 2]" 1
86 1 7 ASP HA 1 8 LEU MD1 . . 7.500 6.060 5.073 6.371 . 0 0 "[ . 1 . 2]" 1
87 1 7 ASP HA 1 8 LEU MD2 . . 7.500 5.060 3.998 6.376 . 0 0 "[ . 1 . 2]" 1
88 1 7 ASP HA 1 10 VAL H . . 4.600 3.716 2.939 4.434 . 0 0 "[ . 1 . 2]" 1
89 1 7 ASP HA 1 10 VAL HB . . 3.700 2.719 2.154 3.579 . 0 0 "[ . 1 . 2]" 1
90 1 7 ASP HA 1 10 VAL MG1 . . 7.500 3.758 3.360 4.668 . 0 0 "[ . 1 . 2]" 1
91 1 7 ASP HA 1 10 VAL MG2 . . 7.500 3.654 2.952 4.248 . 0 0 "[ . 1 . 2]" 1
92 1 7 ASP HA 1 11 ALA H . . 5.200 4.014 3.522 4.253 . 0 0 "[ . 1 . 2]" 1
93 1 7 ASP HA 1 35 LEU QD . . 7.500 2.961 2.168 4.344 . 0 0 "[ . 1 . 2]" 1
94 1 7 ASP HB2 1 8 LEU H . . 3.400 2.858 2.397 4.038 0.638 6 1 "[ .+ 1 . 2]" 1
95 1 7 ASP HB2 1 35 LEU QD . . 7.500 3.599 2.946 4.663 . 0 0 "[ . 1 . 2]" 1
96 1 7 ASP HB3 1 8 LEU H . . 4.100 3.073 2.198 3.658 . 0 0 "[ . 1 . 2]" 1
97 1 7 ASP HB3 1 35 LEU QD . . 7.500 2.547 2.039 3.880 . 0 0 "[ . 1 . 2]" 1
98 1 8 LEU H 1 8 LEU QB . . 3.500 2.237 1.891 2.619 . 0 0 "[ . 1 . 2]" 1
99 1 8 LEU H 1 8 LEU MD1 . . 4.500 3.590 2.549 4.109 . 0 0 "[ . 1 . 2]" 1
100 1 8 LEU H 1 8 LEU MD2 . . 5.000 3.024 2.038 4.051 . 0 0 "[ . 1 . 2]" 1
101 1 8 LEU H 1 8 LEU HG . . 3.600 2.955 1.990 3.737 0.137 2 0 "[ . 1 . 2]" 1
102 1 8 LEU H 1 9 GLN H . . 3.400 2.835 2.484 2.984 . 0 0 "[ . 1 . 2]" 1
103 1 8 LEU H 1 35 LEU QD . . 7.500 4.123 3.709 4.934 . 0 0 "[ . 1 . 2]" 1
104 1 8 LEU H 1 65 ALA MB . . 7.500 5.696 4.789 6.302 . 0 0 "[ . 1 . 2]" 1
105 1 8 LEU HA 1 8 LEU MD1 . . 4.100 2.955 2.061 3.566 . 0 0 "[ . 1 . 2]" 1
106 1 8 LEU HA 1 8 LEU MD2 . . 3.700 2.429 1.946 3.623 . 0 0 "[ . 1 . 2]" 1
107 1 8 LEU HA 1 8 LEU HG . . 4.200 3.151 2.121 3.693 . 0 0 "[ . 1 . 2]" 1
108 1 8 LEU HA 1 9 GLN H . . 4.400 3.634 3.587 3.693 . 0 0 "[ . 1 . 2]" 1
109 1 8 LEU HA 1 11 ALA H . . 4.300 3.162 2.886 3.875 . 0 0 "[ . 1 . 2]" 1
110 1 8 LEU HA 1 11 ALA MB . . 4.100 2.145 1.898 2.550 . 0 0 "[ . 1 . 2]" 1
111 1 8 LEU HA 1 12 PHE H . . 5.200 3.685 3.416 3.987 . 0 0 "[ . 1 . 2]" 1
112 1 8 LEU HA 1 12 PHE QE . . 8.500 4.014 3.313 4.720 . 0 0 "[ . 1 . 2]" 1
113 1 8 LEU HA 1 35 LEU QD . . 7.500 3.397 2.867 4.080 . 0 0 "[ . 1 . 2]" 1
114 1 8 LEU QB 1 9 GLN H . . 3.700 2.697 2.485 2.989 . 0 0 "[ . 1 . 2]" 1
115 1 8 LEU QB 1 9 GLN HA . . 5.000 4.064 3.755 4.591 . 0 0 "[ . 1 . 2]" 1
116 1 8 LEU QB 1 12 PHE QD . . 8.500 3.622 2.845 5.143 . 0 0 "[ . 1 . 2]" 1
117 1 8 LEU QB 1 12 PHE QE . . 8.500 2.540 2.094 4.631 . 0 0 "[ . 1 . 2]" 1
118 1 8 LEU QB 1 12 PHE HZ . . 6.500 3.573 2.311 5.079 . 0 0 "[ . 1 . 2]" 1
119 1 8 LEU QB 1 64 PHE QD . . 8.500 4.428 3.456 7.043 . 0 0 "[ . 1 . 2]" 1
120 1 8 LEU QB 1 64 PHE QE . . 8.500 4.372 3.349 6.612 . 0 0 "[ . 1 . 2]" 1
121 1 8 LEU QB 1 64 PHE HZ . . 6.500 5.961 5.174 6.722 0.222 2 0 "[ . 1 . 2]" 1
122 1 8 LEU QB 1 65 ALA MB . . 7.500 3.655 2.781 4.275 . 0 0 "[ . 1 . 2]" 1
123 1 8 LEU QB 1 68 LEU MD1 . . 7.500 3.321 1.887 4.037 . 0 0 "[ . 1 . 2]" 1
124 1 8 LEU QB 1 68 LEU MD2 . . 7.500 3.594 1.845 5.659 . 0 0 "[ . 1 . 2]" 1
125 1 8 LEU MD1 1 9 GLN H . . 7.500 4.602 3.752 5.055 . 0 0 "[ . 1 . 2]" 1
126 1 8 LEU MD1 1 12 PHE QD . . 9.500 4.548 2.836 5.967 . 0 0 "[ . 1 . 2]" 1
127 1 8 LEU MD1 1 12 PHE QE . . 9.500 3.088 2.374 4.705 . 0 0 "[ . 1 . 2]" 1
128 1 8 LEU MD1 1 12 PHE HZ . . 7.500 3.242 2.217 5.717 . 0 0 "[ . 1 . 2]" 1
129 1 8 LEU MD1 1 32 MET ME . . 8.500 3.549 1.814 5.694 . 0 0 "[ . 1 . 2]" 1
130 1 8 LEU MD1 1 64 PHE QD . . 9.500 3.983 2.567 5.791 . 0 0 "[ . 1 . 2]" 1
131 1 8 LEU MD1 1 64 PHE QE . . 9.500 3.144 2.261 5.059 . 0 0 "[ . 1 . 2]" 1
132 1 8 LEU MD1 1 64 PHE HZ . . 7.500 4.284 3.172 6.507 . 0 0 "[ . 1 . 2]" 1
133 1 8 LEU MD1 1 65 ALA HA . . 7.000 3.914 2.070 5.645 . 0 0 "[ . 1 . 2]" 1
134 1 8 LEU MD1 1 68 LEU MD2 . . 8.500 3.060 1.950 4.447 . 0 0 "[ . 1 . 2]" 1
135 1 8 LEU MD2 1 9 GLN H . . 7.500 4.537 3.536 5.100 . 0 0 "[ . 1 . 2]" 1
136 1 8 LEU MD2 1 11 ALA MB . . 8.500 3.217 2.251 5.119 . 0 0 "[ . 1 . 2]" 1
137 1 8 LEU MD2 1 12 PHE QD . . 9.500 4.939 3.376 6.210 . 0 0 "[ . 1 . 2]" 1
138 1 8 LEU MD2 1 12 PHE QE . . 9.500 3.895 2.128 5.210 . 0 0 "[ . 1 . 2]" 1
139 1 8 LEU MD2 1 12 PHE HZ . . 7.500 4.125 2.198 6.204 . 0 0 "[ . 1 . 2]" 1
140 1 8 LEU MD2 1 32 MET ME . . 8.500 3.202 1.915 5.663 . 0 0 "[ . 1 . 2]" 1
141 1 8 LEU MD2 1 32 MET QG . . 8.500 4.556 2.782 7.643 . 0 0 "[ . 1 . 2]" 1
142 1 8 LEU MD2 1 35 LEU QD . . 8.500 3.346 2.017 6.068 . 0 0 "[ . 1 . 2]" 1
143 1 8 LEU MD2 1 64 PHE QD . . 9.500 5.107 3.328 6.893 . 0 0 "[ . 1 . 2]" 1
144 1 8 LEU MD2 1 65 ALA HA . . 7.500 5.117 2.018 6.295 . 0 0 "[ . 1 . 2]" 1
145 1 8 LEU MD2 1 65 ALA MB . . 8.500 5.223 2.611 6.280 . 0 0 "[ . 1 . 2]" 1
146 1 8 LEU MD2 1 68 LEU HB2 . . 7.500 4.161 2.378 5.556 . 0 0 "[ . 1 . 2]" 1
147 1 8 LEU MD2 1 68 LEU MD1 . . 8.500 2.829 1.966 4.326 . 0 0 "[ . 1 . 2]" 1
148 1 8 LEU MD2 1 69 ALA MB . . 7.400 6.358 3.407 7.769 0.369 15 0 "[ . 1 . 2]" 1
149 1 8 LEU HG 1 9 GLN H . . 6.500 4.584 2.499 5.353 . 0 0 "[ . 1 . 2]" 1
150 1 8 LEU HG 1 11 ALA MB . . 7.500 4.532 3.615 5.335 . 0 0 "[ . 1 . 2]" 1
151 1 8 LEU HG 1 12 PHE QE . . 8.500 4.609 3.952 5.026 . 0 0 "[ . 1 . 2]" 1
152 1 8 LEU HG 1 12 PHE HZ . . 6.500 5.310 3.337 6.550 0.050 14 0 "[ . 1 . 2]" 1
153 1 9 GLN H 1 9 GLN HB2 . . 3.000 2.296 2.165 2.474 . 0 0 "[ . 1 . 2]" 1
154 1 9 GLN H 1 9 GLN HB3 . . 3.800 2.777 2.578 3.039 . 0 0 "[ . 1 . 2]" 1
155 1 9 GLN H 1 10 VAL H . . 3.600 2.804 2.697 2.936 . 0 0 "[ . 1 . 2]" 1
156 1 9 GLN H 1 11 ALA H . . 5.800 4.056 3.871 4.325 . 0 0 "[ . 1 . 2]" 1
157 1 9 GLN H 1 65 ALA MB . . 7.500 4.290 3.761 4.929 . 0 0 "[ . 1 . 2]" 1
158 1 9 GLN HA 1 10 VAL H . . 4.500 3.650 3.625 3.695 . 0 0 "[ . 1 . 2]" 1
159 1 9 GLN HA 1 11 ALA H . . 6.500 4.410 4.181 4.594 . 0 0 "[ . 1 . 2]" 1
160 1 9 GLN HA 1 12 PHE H . . 4.400 3.530 3.218 3.810 . 0 0 "[ . 1 . 2]" 1
161 1 9 GLN HA 1 12 PHE HB2 . . 3.900 2.453 2.337 2.546 . 0 0 "[ . 1 . 2]" 1
162 1 9 GLN HA 1 12 PHE HB3 . . 3.900 3.960 3.917 3.989 0.089 15 0 "[ . 1 . 2]" 1
163 1 9 GLN HA 1 12 PHE QD . . 8.500 2.692 2.070 4.244 . 0 0 "[ . 1 . 2]" 1
164 1 9 GLN HA 1 12 PHE QE . . 8.500 4.459 3.802 5.600 . 0 0 "[ . 1 . 2]" 1
165 1 9 GLN HA 1 13 ARG H . . 5.500 3.974 3.739 4.283 . 0 0 "[ . 1 . 2]" 1
166 1 9 GLN HA 1 61 TYR QD . . 8.500 5.187 4.264 5.872 . 0 0 "[ . 1 . 2]" 1
167 1 9 GLN HA 1 61 TYR QE . . 8.500 4.176 2.538 7.614 . 0 0 "[ . 1 . 2]" 1
168 1 9 GLN HA 1 65 ALA MB . . 7.500 3.957 3.291 4.595 . 0 0 "[ . 1 . 2]" 1
169 1 9 GLN HB2 1 9 GLN QE . . 4.100 3.078 2.053 3.807 . 0 0 "[ . 1 . 2]" 1
170 1 9 GLN HB2 1 10 VAL H . . 3.500 3.820 3.577 4.007 0.507 20 3 "[ *. 1- . +]" 1
171 1 9 GLN HB2 1 10 VAL HA . . 5.800 5.723 5.560 5.862 0.062 11 0 "[ . 1 . 2]" 1
172 1 9 GLN HB2 1 10 VAL MG1 . . 7.500 6.604 6.379 6.778 . 0 0 "[ . 1 . 2]" 1
173 1 9 GLN HB2 1 62 GLU HA . . 6.500 6.549 5.800 6.977 0.477 18 0 "[ . 1 . 2]" 1
174 1 9 GLN HB2 1 65 ALA MB . . 7.500 3.717 3.076 4.320 . 0 0 "[ . 1 . 2]" 1
175 1 9 GLN HB3 1 10 VAL H . . 4.800 2.741 2.597 2.928 . 0 0 "[ . 1 . 2]" 1
176 1 9 GLN QE 1 61 TYR HA . . 6.500 6.003 5.065 7.048 0.548 20 1 "[ . 1 . +]" 1
177 1 9 GLN QE 1 65 ALA MB . . 7.500 2.612 1.977 3.417 . 0 0 "[ . 1 . 2]" 1
178 1 9 GLN QG 1 10 VAL H . . 7.500 4.090 3.776 4.367 . 0 0 "[ . 1 . 2]" 1
179 1 9 GLN QG 1 65 ALA MB . . 8.500 4.341 3.680 5.271 . 0 0 "[ . 1 . 2]" 1
180 1 10 VAL H 1 10 VAL HB . . 3.300 2.123 2.072 2.282 . 0 0 "[ . 1 . 2]" 1
181 1 10 VAL H 1 10 VAL MG1 . . 3.500 3.531 3.514 3.561 0.061 11 0 "[ . 1 . 2]" 1
182 1 10 VAL H 1 10 VAL MG2 . . 4.100 2.261 2.074 2.455 . 0 0 "[ . 1 . 2]" 1
183 1 10 VAL H 1 11 ALA H . . 3.400 2.644 2.549 2.763 . 0 0 "[ . 1 . 2]" 1
184 1 10 VAL H 1 11 ALA MB . . 5.500 4.312 4.208 4.391 . 0 0 "[ . 1 . 2]" 1
185 1 10 VAL H 1 12 PHE H . . 5.800 4.446 4.104 4.757 . 0 0 "[ . 1 . 2]" 1
186 1 10 VAL HA 1 10 VAL MG1 . . 3.400 2.500 2.321 2.612 . 0 0 "[ . 1 . 2]" 1
187 1 10 VAL HA 1 10 VAL MG2 . . 3.500 2.315 2.263 2.412 . 0 0 "[ . 1 . 2]" 1
188 1 10 VAL HA 1 11 ALA H . . 4.300 3.593 3.556 3.647 . 0 0 "[ . 1 . 2]" 1
189 1 10 VAL HA 1 12 PHE H . . 6.500 4.810 4.460 5.260 . 0 0 "[ . 1 . 2]" 1
190 1 10 VAL HA 1 13 ARG H . . 4.200 3.509 3.216 4.057 . 0 0 "[ . 1 . 2]" 1
191 1 10 VAL HA 1 13 ARG QB . . 4.700 2.600 2.197 3.060 . 0 0 "[ . 1 . 2]" 1
192 1 10 VAL HA 1 13 ARG QD . . 6.500 4.937 3.747 5.851 . 0 0 "[ . 1 . 2]" 1
193 1 10 VAL HA 1 13 ARG QG . . 7.500 3.914 2.916 4.549 . 0 0 "[ . 1 . 2]" 1
194 1 10 VAL HA 1 14 ALA H . . 6.500 5.070 4.295 5.599 . 0 0 "[ . 1 . 2]" 1
195 1 10 VAL HB 1 11 ALA H . . 3.300 2.747 2.490 2.954 . 0 0 "[ . 1 . 2]" 1
196 1 10 VAL HB 1 11 ALA MB . . 7.500 4.324 4.155 4.472 . 0 0 "[ . 1 . 2]" 1
197 1 10 VAL MG1 1 11 ALA H . . 7.500 3.195 2.967 3.445 . 0 0 "[ . 1 . 2]" 1
198 1 10 VAL MG1 1 11 ALA HA . . 7.500 3.566 3.401 3.869 . 0 0 "[ . 1 . 2]" 1
199 1 10 VAL MG1 1 12 PHE H . . 7.500 5.218 4.870 5.489 . 0 0 "[ . 1 . 2]" 1
200 1 10 VAL MG1 1 13 ARG H . . 7.500 4.889 4.611 5.336 . 0 0 "[ . 1 . 2]" 1
201 1 10 VAL MG1 1 13 ARG QB . . 8.500 3.752 3.330 4.478 . 0 0 "[ . 1 . 2]" 1
202 1 10 VAL MG2 1 11 ALA H . . 7.500 4.056 3.936 4.147 . 0 0 "[ . 1 . 2]" 1
203 1 10 VAL MG2 1 11 ALA HA . . 7.500 5.648 5.571 5.717 . 0 0 "[ . 1 . 2]" 1
204 1 10 VAL MG2 1 12 PHE H . . 7.500 5.766 5.509 6.063 . 0 0 "[ . 1 . 2]" 1
205 1 10 VAL MG2 1 13 ARG H . . 7.500 5.174 4.907 5.584 . 0 0 "[ . 1 . 2]" 1
206 1 10 VAL MG2 1 13 ARG HA . . 7.500 6.605 6.081 7.048 . 0 0 "[ . 1 . 2]" 1
207 1 10 VAL MG2 1 13 ARG QB . . 8.500 4.044 3.471 4.468 . 0 0 "[ . 1 . 2]" 1
208 1 11 ALA H 1 11 ALA MB . . 3.400 2.248 2.207 2.281 . 0 0 "[ . 1 . 2]" 1
209 1 11 ALA H 1 12 PHE H . . 3.300 2.881 2.695 3.145 . 0 0 "[ . 1 . 2]" 1
210 1 11 ALA H 1 13 ARG H . . 5.400 4.256 4.098 4.547 . 0 0 "[ . 1 . 2]" 1
211 1 11 ALA H 1 35 LEU QD . . 7.500 3.049 2.426 4.576 . 0 0 "[ . 1 . 2]" 1
212 1 11 ALA HA 1 12 PHE H . . 4.100 3.536 3.497 3.577 . 0 0 "[ . 1 . 2]" 1
213 1 11 ALA HA 1 14 ALA H . . 4.600 3.996 3.693 4.178 . 0 0 "[ . 1 . 2]" 1
214 1 11 ALA HA 1 14 ALA MB . . 4.600 3.696 3.265 3.864 . 0 0 "[ . 1 . 2]" 1
215 1 11 ALA MB 1 12 PHE H . . 3.500 2.137 1.973 2.363 . 0 0 "[ . 1 . 2]" 1
216 1 11 ALA MB 1 12 PHE HA . . 6.400 3.756 3.563 3.896 . 0 0 "[ . 1 . 2]" 1
217 1 11 ALA MB 1 12 PHE QD . . 9.500 3.460 1.992 4.183 . 0 0 "[ . 1 . 2]" 1
218 1 11 ALA MB 1 12 PHE QE . . 9.500 3.798 2.940 4.572 . 0 0 "[ . 1 . 2]" 1
219 1 11 ALA MB 1 12 PHE HZ . . 7.500 4.545 3.791 5.242 . 0 0 "[ . 1 . 2]" 1
220 1 11 ALA MB 1 13 ARG H . . 6.300 4.510 4.372 4.644 . 0 0 "[ . 1 . 2]" 1
221 1 11 ALA MB 1 14 ALA H . . 7.500 4.765 4.593 4.995 . 0 0 "[ . 1 . 2]" 1
222 1 11 ALA MB 1 31 ALA HA . . 7.500 4.520 4.063 4.998 . 0 0 "[ . 1 . 2]" 1
223 1 11 ALA MB 1 31 ALA MB . . 8.300 2.294 2.084 2.715 . 0 0 "[ . 1 . 2]" 1
224 1 11 ALA MB 1 32 MET HA . . 7.500 3.660 3.059 4.222 . 0 0 "[ . 1 . 2]" 1
225 1 11 ALA MB 1 35 LEU H . . 7.500 4.987 4.442 5.477 . 0 0 "[ . 1 . 2]" 1
226 1 11 ALA MB 1 35 LEU QD . . 8.500 2.126 1.882 2.635 . 0 0 "[ . 1 . 2]" 1
227 1 11 ALA MB 1 68 LEU HB2 . . 7.500 7.002 6.698 7.311 . 0 0 "[ . 1 . 2]" 1
228 1 12 PHE H 1 12 PHE HB2 . . 3.400 2.337 2.156 2.525 . 0 0 "[ . 1 . 2]" 1
229 1 12 PHE H 1 12 PHE HB3 . . 3.900 3.503 3.440 3.572 . 0 0 "[ . 1 . 2]" 1
230 1 12 PHE H 1 12 PHE QE . . 6.000 4.253 3.787 4.606 . 0 0 "[ . 1 . 2]" 1
231 1 12 PHE H 1 13 ARG H . . 3.500 2.972 2.689 3.168 . 0 0 "[ . 1 . 2]" 1
232 1 12 PHE H 1 13 ARG QB . . 6.800 4.588 4.317 4.966 . 0 0 "[ . 1 . 2]" 1
233 1 12 PHE H 1 14 ALA H . . 6.500 4.395 4.153 4.581 . 0 0 "[ . 1 . 2]" 1
234 1 12 PHE H 1 31 ALA MB . . 7.500 4.011 3.681 4.387 . 0 0 "[ . 1 . 2]" 1
235 1 12 PHE HA 1 13 ARG H . . 4.600 3.565 3.520 3.629 . 0 0 "[ . 1 . 2]" 1
236 1 12 PHE HA 1 14 ALA H . . 6.500 3.899 3.548 4.240 . 0 0 "[ . 1 . 2]" 1
237 1 12 PHE HA 1 15 PHE H . . 6.500 3.666 3.319 4.219 . 0 0 "[ . 1 . 2]" 1
238 1 12 PHE HA 1 15 PHE QD . . 8.500 4.704 4.162 5.556 . 0 0 "[ . 1 . 2]" 1
239 1 12 PHE HA 1 15 PHE QE . . 8.500 6.597 5.973 7.403 . 0 0 "[ . 1 . 2]" 1
240 1 12 PHE HA 1 28 LEU HG . . 6.500 4.220 3.810 4.542 . 0 0 "[ . 1 . 2]" 1
241 1 12 PHE HA 1 31 ALA MB . . 7.500 3.620 2.804 4.236 . 0 0 "[ . 1 . 2]" 1
242 1 12 PHE HB2 1 13 ARG H . . 5.000 2.541 2.312 2.847 . 0 0 "[ . 1 . 2]" 1
243 1 12 PHE HB2 1 28 LEU HG . . 6.500 6.378 5.836 6.649 0.149 3 0 "[ . 1 . 2]" 1
244 1 12 PHE HB2 1 61 TYR QB . . 6.500 5.481 3.875 6.362 . 0 0 "[ . 1 . 2]" 1
245 1 12 PHE HB2 1 61 TYR QD . . 8.500 3.688 3.113 4.218 . 0 0 "[ . 1 . 2]" 1
246 1 12 PHE HB2 1 61 TYR QE . . 8.500 3.141 2.170 5.480 . 0 0 "[ . 1 . 2]" 1
247 1 12 PHE HB3 1 13 ARG H . . 4.300 3.287 2.951 3.529 . 0 0 "[ . 1 . 2]" 1
248 1 12 PHE HB3 1 61 TYR QB . . 6.500 4.162 2.403 5.007 . 0 0 "[ . 1 . 2]" 1
249 1 12 PHE HB3 1 61 TYR QD . . 8.500 2.371 2.061 2.916 . 0 0 "[ . 1 . 2]" 1
250 1 12 PHE HB3 1 61 TYR QE . . 8.500 2.603 2.019 4.100 . 0 0 "[ . 1 . 2]" 1
251 1 12 PHE QD 1 23 ILE MD . . 9.500 3.911 2.122 5.585 . 0 0 "[ . 1 . 2]" 1
252 1 12 PHE QD 1 23 ILE MG . . 9.500 2.520 1.958 4.429 . 0 0 "[ . 1 . 2]" 1
253 1 12 PHE QD 1 28 LEU HA . . 8.500 4.556 3.663 5.327 . 0 0 "[ . 1 . 2]" 1
254 1 12 PHE QD 1 28 LEU HG . . 8.500 3.439 2.710 4.483 . 0 0 "[ . 1 . 2]" 1
255 1 12 PHE QD 1 31 ALA MB . . 9.200 4.392 3.238 5.407 . 0 0 "[ . 1 . 2]" 1
256 1 12 PHE QD 1 32 MET QG . . 9.500 6.455 4.445 7.524 . 0 0 "[ . 1 . 2]" 1
257 1 12 PHE QD 1 61 TYR HA . . 8.500 3.876 2.351 4.893 . 0 0 "[ . 1 . 2]" 1
258 1 12 PHE QD 1 61 TYR QB . . 8.500 3.950 2.830 4.728 . 0 0 "[ . 1 . 2]" 1
259 1 12 PHE QD 1 61 TYR QD . . 10.500 2.850 2.101 3.791 . 0 0 "[ . 1 . 2]" 1
260 1 12 PHE QD 1 61 TYR QE . . 10.500 3.399 2.336 5.011 . 0 0 "[ . 1 . 2]" 1
261 1 12 PHE QD 1 65 ALA HA . . 8.500 4.801 3.883 5.862 . 0 0 "[ . 1 . 2]" 1
262 1 12 PHE QD 1 65 ALA MB . . 9.500 3.344 2.308 4.924 . 0 0 "[ . 1 . 2]" 1
263 1 12 PHE QE 1 13 ARG H . . 8.500 6.309 6.028 6.481 . 0 0 "[ . 1 . 2]" 1
264 1 12 PHE QE 1 15 PHE QD . . 10.500 7.107 6.267 7.970 . 0 0 "[ . 1 . 2]" 1
265 1 12 PHE QE 1 28 LEU HA . . 8.500 4.560 4.065 5.397 . 0 0 "[ . 1 . 2]" 1
266 1 12 PHE QE 1 28 LEU MD1 . . 9.500 2.426 2.013 4.066 . 0 0 "[ . 1 . 2]" 1
267 1 12 PHE QE 1 28 LEU MD2 . . 9.500 2.359 1.982 2.767 . 0 0 "[ . 1 . 2]" 1
268 1 12 PHE QE 1 28 LEU HG . . 8.500 2.679 2.048 4.495 . 0 0 "[ . 1 . 2]" 1
269 1 12 PHE QE 1 31 ALA H . . 8.500 7.409 6.776 7.606 . 0 0 "[ . 1 . 2]" 1
270 1 12 PHE QE 1 31 ALA MB . . 9.500 4.996 4.199 5.430 . 0 0 "[ . 1 . 2]" 1
271 1 12 PHE QE 1 32 MET H . . 8.500 7.266 5.977 7.645 . 0 0 "[ . 1 . 2]" 1
272 1 12 PHE QE 1 32 MET QG . . 9.500 5.864 4.058 6.592 . 0 0 "[ . 1 . 2]" 1
273 1 12 PHE QE 1 44 LEU QD . . 9.500 4.921 4.194 5.261 . 0 0 "[ . 1 . 2]" 1
274 1 12 PHE QE 1 61 TYR QB . . 8.500 5.002 3.951 6.065 . 0 0 "[ . 1 . 2]" 1
275 1 12 PHE QE 1 64 PHE HB2 . . 8.500 4.428 2.902 5.530 . 0 0 "[ . 1 . 2]" 1
276 1 12 PHE QE 1 64 PHE HB3 . . 8.500 3.369 2.349 4.267 . 0 0 "[ . 1 . 2]" 1
277 1 12 PHE QE 1 64 PHE QD . . 10.500 2.740 2.458 3.296 . 0 0 "[ . 1 . 2]" 1
278 1 12 PHE QE 1 65 ALA H . . 8.500 4.003 3.237 4.981 . 0 0 "[ . 1 . 2]" 1
279 1 12 PHE QE 1 65 ALA HA . . 8.500 3.421 2.423 5.003 . 0 0 "[ . 1 . 2]" 1
280 1 12 PHE QE 1 65 ALA MB . . 9.500 3.231 2.179 4.848 . 0 0 "[ . 1 . 2]" 1
281 1 12 PHE QE 1 68 LEU MD2 . . 9.500 5.025 2.631 6.757 . 0 0 "[ . 1 . 2]" 1
282 1 12 PHE HZ 1 28 LEU HA . . 6.500 5.935 5.220 6.574 0.074 7 0 "[ . 1 . 2]" 1
283 1 12 PHE HZ 1 28 LEU MD1 . . 7.500 2.850 2.106 4.171 . 0 0 "[ . 1 . 2]" 1
284 1 12 PHE HZ 1 28 LEU MD2 . . 7.500 2.472 2.103 3.299 . 0 0 "[ . 1 . 2]" 1
285 1 12 PHE HZ 1 28 LEU HG . . 6.500 4.182 3.266 5.188 . 0 0 "[ . 1 . 2]" 1
286 1 12 PHE HZ 1 31 ALA MB . . 7.500 6.114 5.509 6.287 . 0 0 "[ . 1 . 2]" 1
287 1 12 PHE HZ 1 32 MET QG . . 7.500 6.484 5.975 6.745 . 0 0 "[ . 1 . 2]" 1
288 1 12 PHE HZ 1 35 LEU QD . . 7.500 6.510 5.873 6.758 . 0 0 "[ . 1 . 2]" 1
289 1 12 PHE HZ 1 44 LEU QD . . 7.500 5.168 4.389 5.597 . 0 0 "[ . 1 . 2]" 1
290 1 12 PHE HZ 1 65 ALA HA . . 6.500 4.796 3.908 5.585 . 0 0 "[ . 1 . 2]" 1
291 1 12 PHE HZ 1 65 ALA MB . . 7.500 4.994 4.302 5.895 . 0 0 "[ . 1 . 2]" 1
292 1 12 PHE HZ 1 68 LEU MD1 . . 7.500 5.091 2.397 6.265 . 0 0 "[ . 1 . 2]" 1
293 1 12 PHE HZ 1 68 LEU MD2 . . 7.500 5.438 2.777 6.336 . 0 0 "[ . 1 . 2]" 1
294 1 13 ARG H 1 13 ARG QB . . 3.900 2.127 1.998 2.233 . 0 0 "[ . 1 . 2]" 1
295 1 13 ARG H 1 14 ALA H . . 3.600 3.047 2.960 3.130 . 0 0 "[ . 1 . 2]" 1
296 1 13 ARG H 1 14 ALA MB . . 5.700 4.678 4.524 4.750 . 0 0 "[ . 1 . 2]" 1
297 1 13 ARG H 1 15 PHE H . . 6.500 4.870 4.600 5.180 . 0 0 "[ . 1 . 2]" 1
298 1 13 ARG H 1 61 TYR QD . . 8.500 5.309 4.451 5.997 . 0 0 "[ . 1 . 2]" 1
299 1 13 ARG H 1 61 TYR QE . . 8.500 4.346 3.141 6.318 . 0 0 "[ . 1 . 2]" 1
300 1 13 ARG HA 1 13 ARG QD . . 4.600 2.854 2.073 3.826 . 0 0 "[ . 1 . 2]" 1
301 1 13 ARG HA 1 14 ALA H . . 4.600 3.532 3.341 3.584 . 0 0 "[ . 1 . 2]" 1
302 1 13 ARG HA 1 14 ALA MB . . 6.300 4.992 4.832 5.051 . 0 0 "[ . 1 . 2]" 1
303 1 13 ARG HA 1 15 PHE H . . 5.200 4.497 4.015 4.993 . 0 0 "[ . 1 . 2]" 1
304 1 13 ARG HA 1 16 ASP H . . 4.100 3.640 3.060 4.120 0.020 8 0 "[ . 1 . 2]" 1
305 1 13 ARG HA 1 16 ASP QB . . 3.800 2.321 2.075 2.746 . 0 0 "[ . 1 . 2]" 1
306 1 13 ARG HA 1 61 TYR QD . . 8.500 5.506 4.341 6.627 . 0 0 "[ . 1 . 2]" 1
307 1 13 ARG HA 1 61 TYR QE . . 8.500 4.626 3.108 5.867 . 0 0 "[ . 1 . 2]" 1
308 1 13 ARG QB 1 14 ALA H . . 5.600 3.070 2.750 3.593 . 0 0 "[ . 1 . 2]" 1
309 1 13 ARG QB 1 14 ALA HA . . 7.500 4.287 4.051 4.831 . 0 0 "[ . 1 . 2]" 1
310 1 13 ARG QB 1 16 ASP H . . 7.500 5.301 4.815 5.829 . 0 0 "[ . 1 . 2]" 1
311 1 13 ARG QB 1 61 TYR QD . . 9.500 6.223 5.027 7.189 . 0 0 "[ . 1 . 2]" 1
312 1 13 ARG QB 1 61 TYR QE . . 9.500 5.022 3.182 7.098 . 0 0 "[ . 1 . 2]" 1
313 1 13 ARG QD 1 15 PHE H . . 6.500 5.720 5.008 6.302 . 0 0 "[ . 1 . 2]" 1
314 1 13 ARG QD 1 61 TYR QE . . 9.500 6.200 3.534 7.551 . 0 0 "[ . 1 . 2]" 1
315 1 13 ARG QG 1 14 ALA H . . 7.500 4.378 2.267 4.877 . 0 0 "[ . 1 . 2]" 1
316 1 13 ARG QG 1 61 TYR QD . . 9.500 6.825 5.426 7.564 . 0 0 "[ . 1 . 2]" 1
317 1 14 ALA H 1 14 ALA MB . . 3.400 2.225 2.134 2.281 . 0 0 "[ . 1 . 2]" 1
318 1 14 ALA H 1 15 PHE H . . 3.600 2.842 2.602 3.121 . 0 0 "[ . 1 . 2]" 1
319 1 14 ALA H 1 16 ASP H . . 5.700 4.380 3.805 5.012 . 0 0 "[ . 1 . 2]" 1
320 1 14 ALA HA 1 15 PHE H . . 4.400 3.630 3.602 3.691 . 0 0 "[ . 1 . 2]" 1
321 1 14 ALA HA 1 16 ASP H . . 5.400 4.610 4.166 5.429 0.029 11 0 "[ . 1 . 2]" 1
322 1 14 ALA MB 1 15 PHE H . . 3.900 2.445 2.172 2.845 . 0 0 "[ . 1 . 2]" 1
323 1 14 ALA MB 1 15 PHE HA . . 5.800 4.201 4.049 4.388 . 0 0 "[ . 1 . 2]" 1
324 1 14 ALA MB 1 15 PHE QD . . 9.500 2.445 2.281 2.575 . 0 0 "[ . 1 . 2]" 1
325 1 14 ALA MB 1 15 PHE QE . . 9.500 2.641 2.082 3.426 . 0 0 "[ . 1 . 2]" 1
326 1 14 ALA MB 1 15 PHE HZ . . 7.500 3.816 3.200 5.390 . 0 0 "[ . 1 . 2]" 1
327 1 14 ALA MB 1 16 ASP H . . 6.800 4.567 4.140 5.005 . 0 0 "[ . 1 . 2]" 1
328 1 15 PHE H 1 15 PHE HB2 . . 3.300 2.567 2.177 2.914 . 0 0 "[ . 1 . 2]" 1
329 1 15 PHE H 1 15 PHE HB3 . . 3.900 3.709 3.486 3.869 . 0 0 "[ . 1 . 2]" 1
330 1 15 PHE H 1 16 ASP H . . 3.300 2.850 2.102 3.321 0.021 17 0 "[ . 1 . 2]" 1
331 1 15 PHE H 1 16 ASP QB . . 4.400 3.938 3.308 4.576 0.176 12 0 "[ . 1 . 2]" 1
332 1 15 PHE H 1 23 ILE MG . . 7.500 4.898 3.528 5.353 . 0 0 "[ . 1 . 2]" 1
333 1 15 PHE H 1 27 GLU HA . . 6.300 6.359 6.306 6.399 0.099 14 0 "[ . 1 . 2]" 1
334 1 15 PHE H 1 27 GLU HB2 . . 6.500 5.963 5.027 6.518 0.018 18 0 "[ . 1 . 2]" 1
335 1 15 PHE H 1 27 GLU QG . . 6.500 5.509 3.754 6.345 . 0 0 "[ . 1 . 2]" 1
336 1 15 PHE H 1 28 LEU HG . . 6.500 6.408 5.576 6.610 0.110 11 0 "[ . 1 . 2]" 1
337 1 15 PHE HA 1 15 PHE QE . . 6.300 4.519 4.219 4.862 . 0 0 "[ . 1 . 2]" 1
338 1 15 PHE HA 1 16 ASP H . . 4.300 2.930 2.496 3.574 . 0 0 "[ . 1 . 2]" 1
339 1 15 PHE HA 1 23 ILE MG . . 7.500 5.716 4.415 6.278 . 0 0 "[ . 1 . 2]" 1
340 1 15 PHE HA 1 24 THR MG . . 7.500 6.305 5.856 6.410 . 0 0 "[ . 1 . 2]" 1
341 1 15 PHE HB2 1 16 ASP H . . 4.800 4.049 2.444 4.436 . 0 0 "[ . 1 . 2]" 1
342 1 15 PHE HB2 1 23 ILE MG . . 7.500 3.997 2.453 4.377 . 0 0 "[ . 1 . 2]" 1
343 1 15 PHE HB2 1 27 GLU HB3 . . 6.500 2.455 2.121 4.405 . 0 0 "[ . 1 . 2]" 1
344 1 15 PHE HB2 1 28 LEU HG . . 6.500 5.434 4.945 5.893 . 0 0 "[ . 1 . 2]" 1
345 1 15 PHE HB3 1 16 ASP H . . 6.200 4.318 2.968 4.577 . 0 0 "[ . 1 . 2]" 1
346 1 15 PHE HB3 1 23 ILE HB . . 6.500 5.791 4.257 7.033 0.533 3 1 "[ + . 1 . 2]" 1
347 1 15 PHE HB3 1 23 ILE MG . . 7.500 4.736 3.197 5.434 . 0 0 "[ . 1 . 2]" 1
348 1 15 PHE HB3 1 27 GLU HB3 . . 6.500 2.642 2.021 4.154 . 0 0 "[ . 1 . 2]" 1
349 1 15 PHE HB3 1 28 LEU QD . . 8.900 6.516 6.134 7.079 . 0 0 "[ . 1 . 2]" 1
350 1 15 PHE QD 1 23 ILE MG . . 9.500 5.241 4.003 5.505 . 0 0 "[ . 1 . 2]" 1
351 1 15 PHE QD 1 27 GLU HA . . 8.500 3.709 3.119 3.977 . 0 0 "[ . 1 . 2]" 1
352 1 15 PHE QD 1 27 GLU HB3 . . 8.500 3.035 2.364 4.404 . 0 0 "[ . 1 . 2]" 1
353 1 15 PHE QD 1 27 GLU QG . . 8.500 2.753 2.163 3.367 . 0 0 "[ . 1 . 2]" 1
354 1 15 PHE QD 1 28 LEU HG . . 8.500 5.738 5.257 6.279 . 0 0 "[ . 1 . 2]" 1
355 1 15 PHE QD 1 30 ARG QB . . 9.500 3.724 3.198 4.053 . 0 0 "[ . 1 . 2]" 1
356 1 15 PHE QD 1 30 ARG QD . . 9.500 5.140 3.822 6.405 . 0 0 "[ . 1 . 2]" 1
357 1 15 PHE QD 1 31 ALA H . . 8.500 3.381 2.925 3.762 . 0 0 "[ . 1 . 2]" 1
358 1 15 PHE QD 1 31 ALA HA . . 8.500 3.606 2.552 4.378 . 0 0 "[ . 1 . 2]" 1
359 1 15 PHE QD 1 31 ALA MB . . 9.500 2.360 2.118 2.934 . 0 0 "[ . 1 . 2]" 1
360 1 15 PHE QE 1 23 ILE MG . . 9.500 7.002 5.777 7.147 . 0 0 "[ . 1 . 2]" 1
361 1 15 PHE QE 1 27 GLU HA . . 8.500 3.952 3.174 5.035 . 0 0 "[ . 1 . 2]" 1
362 1 15 PHE QE 1 27 GLU QG . . 8.500 3.597 2.993 4.685 . 0 0 "[ . 1 . 2]" 1
363 1 15 PHE QE 1 28 LEU HG . . 8.500 7.429 6.896 7.660 . 0 0 "[ . 1 . 2]" 1
364 1 15 PHE QE 1 30 ARG QB . . 9.500 2.531 2.242 3.090 . 0 0 "[ . 1 . 2]" 1
365 1 15 PHE QE 1 30 ARG QD . . 9.500 3.926 2.491 4.992 . 0 0 "[ . 1 . 2]" 1
366 1 15 PHE QE 1 31 ALA H . . 8.500 2.985 2.502 3.692 . 0 0 "[ . 1 . 2]" 1
367 1 15 PHE QE 1 31 ALA HA . . 8.500 2.568 1.999 3.705 . 0 0 "[ . 1 . 2]" 1
368 1 15 PHE QE 1 31 ALA MB . . 9.500 3.044 2.265 3.730 . 0 0 "[ . 1 . 2]" 1
369 1 15 PHE HZ 1 27 GLU HA . . 6.500 4.844 4.174 6.464 . 0 0 "[ . 1 . 2]" 1
370 1 15 PHE HZ 1 27 GLU QG . . 6.500 4.694 3.509 6.424 . 0 0 "[ . 1 . 2]" 1
371 1 15 PHE HZ 1 30 ARG QB . . 7.500 2.851 2.212 4.198 . 0 0 "[ . 1 . 2]" 1
372 1 15 PHE HZ 1 30 ARG QD . . 7.500 3.833 2.584 6.083 . 0 0 "[ . 1 . 2]" 1
373 1 15 PHE HZ 1 31 ALA HA . . 6.500 4.696 3.666 5.976 . 0 0 "[ . 1 . 2]" 1
374 1 15 PHE HZ 1 31 ALA MB . . 7.500 5.151 4.464 5.877 . 0 0 "[ . 1 . 2]" 1
375 1 16 ASP H 1 16 ASP QB . . 3.300 2.414 2.078 2.824 . 0 0 "[ . 1 . 2]" 1
376 1 16 ASP H 1 17 GLN H . . 5.100 4.022 2.447 4.558 . 0 0 "[ . 1 . 2]" 1
377 1 16 ASP H 1 23 ILE MG . . 7.500 5.030 3.690 5.896 . 0 0 "[ . 1 . 2]" 1
378 1 16 ASP HA 1 17 GLN H . . 3.100 2.494 2.038 3.256 0.156 20 0 "[ . 1 . 2]" 1
379 1 16 ASP HA 1 17 GLN HG2 . . 6.500 5.776 3.964 6.817 0.317 14 0 "[ . 1 . 2]" 1
380 1 16 ASP HA 1 18 ASP H . . 5.400 4.302 3.140 5.443 0.043 8 0 "[ . 1 . 2]" 1
381 1 16 ASP HA 1 23 ILE MG . . 7.500 3.688 2.358 4.705 . 0 0 "[ . 1 . 2]" 1
382 1 16 ASP HA 1 61 TYR QD . . 8.500 4.370 2.522 6.404 . 0 0 "[ . 1 . 2]" 1
383 1 16 ASP HA 1 61 TYR QE . . 8.500 4.900 2.473 7.072 . 0 0 "[ . 1 . 2]" 1
384 1 16 ASP QB 1 23 ILE MG . . 7.500 4.030 2.551 5.848 . 0 0 "[ . 1 . 2]" 1
385 1 16 ASP QB 1 61 TYR QD . . 8.500 3.600 2.212 5.596 . 0 0 "[ . 1 . 2]" 1
386 1 16 ASP QB 1 61 TYR QE . . 8.500 3.663 1.982 5.288 . 0 0 "[ . 1 . 2]" 1
387 1 17 GLN H 1 17 GLN HB2 . . 3.700 2.617 2.196 3.635 . 0 0 "[ . 1 . 2]" 1
388 1 17 GLN H 1 17 GLN HB3 . . 3.300 3.274 2.366 3.780 0.480 8 0 "[ . 1 . 2]" 1
389 1 17 GLN H 1 17 GLN HG2 . . 4.400 4.062 2.741 4.732 0.332 14 0 "[ . 1 . 2]" 1
390 1 17 GLN H 1 17 GLN HG3 . . 5.000 4.062 2.748 4.922 . 0 0 "[ . 1 . 2]" 1
391 1 17 GLN H 1 18 ASP HB2 . . 5.500 5.215 4.407 5.989 0.489 17 0 "[ . 1 . 2]" 1
392 1 17 GLN H 1 18 ASP HB3 . . 6.200 5.674 5.202 6.023 . 0 0 "[ . 1 . 2]" 1
393 1 17 GLN H 1 23 ILE MG . . 7.500 4.971 3.145 6.268 . 0 0 "[ . 1 . 2]" 1
394 1 17 GLN HA 1 17 GLN HG3 . . 4.500 3.245 2.361 3.781 . 0 0 "[ . 1 . 2]" 1
395 1 17 GLN HA 1 18 ASP H . . 4.200 3.480 3.209 3.656 . 0 0 "[ . 1 . 2]" 1
396 1 17 GLN HA 1 19 GLY H . . 5.400 5.353 4.848 5.541 0.141 16 0 "[ . 1 . 2]" 1
397 1 17 GLN HB2 1 18 ASP H . . 4.600 3.201 1.996 4.329 . 0 0 "[ . 1 . 2]" 1
398 1 17 GLN HB2 1 18 ASP HB2 . . 6.500 5.339 4.041 6.034 . 0 0 "[ . 1 . 2]" 1
399 1 17 GLN HB3 1 18 ASP H . . 4.000 2.977 2.000 4.305 0.305 7 0 "[ . 1 . 2]" 1
400 1 17 GLN HG2 1 18 ASP H . . 6.500 4.750 3.952 5.824 . 0 0 "[ . 1 . 2]" 1
401 1 18 ASP H 1 18 ASP HB2 . . 3.700 3.220 2.150 3.743 0.043 4 0 "[ . 1 . 2]" 1
402 1 18 ASP H 1 18 ASP HB3 . . 3.900 3.318 2.680 3.909 0.009 12 0 "[ . 1 . 2]" 1
403 1 18 ASP H 1 19 GLY H . . 3.500 2.508 2.044 3.355 . 0 0 "[ . 1 . 2]" 1
404 1 18 ASP H 1 19 GLY HA3 . . 6.100 4.609 3.891 5.477 . 0 0 "[ . 1 . 2]" 1
405 1 18 ASP HA 1 19 GLY H . . 4.400 2.988 2.468 3.746 . 0 0 "[ . 1 . 2]" 1
406 1 18 ASP HB2 1 19 GLY H . . 6.200 4.328 2.647 4.820 . 0 0 "[ . 1 . 2]" 1
407 1 18 ASP HB3 1 19 GLY H . . 4.300 3.958 2.400 4.686 0.386 16 0 "[ . 1 . 2]" 1
408 1 19 GLY H 1 19 GLY HA3 . . 3.100 2.817 2.240 3.033 . 0 0 "[ . 1 . 2]" 1
409 1 19 GLY H 1 20 ASP H . . 3.700 3.377 2.430 3.755 0.055 13 0 "[ . 1 . 2]" 1
410 1 19 GLY H 1 21 GLY H . . 6.500 4.248 2.930 5.817 . 0 0 "[ . 1 . 2]" 1
411 1 19 GLY H 1 61 TYR HA . . 5.700 5.815 5.765 5.895 0.195 16 0 "[ . 1 . 2]" 1
412 1 19 GLY HA2 1 20 ASP H . . 4.200 3.237 2.101 3.604 . 0 0 "[ . 1 . 2]" 1
413 1 19 GLY HA2 1 21 GLY HA3 . . 5.500 5.434 4.446 6.453 0.953 19 4 "[ *. * 1- . +2]" 1
414 1 19 GLY HA3 1 20 ASP HB3 . . 5.900 5.482 4.706 6.669 0.769 14 1 "[ . 1 +. 2]" 1
415 1 20 ASP H 1 20 ASP HB3 . . 4.200 2.987 2.195 3.718 . 0 0 "[ . 1 . 2]" 1
416 1 20 ASP H 1 21 GLY H . . 3.700 3.025 2.401 3.723 0.023 12 0 "[ . 1 . 2]" 1
417 1 20 ASP H 1 21 GLY HA2 . . 5.800 5.215 4.141 5.790 . 0 0 "[ . 1 . 2]" 1
418 1 20 ASP HA 1 21 GLY H . . 4.500 3.182 2.306 3.585 . 0 0 "[ . 1 . 2]" 1
419 1 21 GLY H 1 22 HIS H . . 4.000 3.138 1.980 4.106 0.106 13 0 "[ . 1 . 2]" 1
420 1 21 GLY H 1 61 TYR QE . . 8.500 5.600 2.242 6.991 . 0 0 "[ . 1 . 2]" 1
421 1 21 GLY HA2 1 22 HIS H . . 4.700 3.124 1.925 3.641 . 0 0 "[ . 1 . 2]" 1
422 1 21 GLY HA2 1 61 TYR QD . . 8.500 5.160 2.522 6.729 . 0 0 "[ . 1 . 2]" 1
423 1 21 GLY HA2 1 61 TYR QE . . 8.500 6.599 4.295 7.676 . 0 0 "[ . 1 . 2]" 1
424 1 21 GLY HA3 1 22 HIS H . . 5.500 2.754 2.094 3.670 . 0 0 "[ . 1 . 2]" 1
425 1 21 GLY HA3 1 61 TYR QD . . 8.500 5.273 3.485 6.558 . 0 0 "[ . 1 . 2]" 1
426 1 21 GLY HA3 1 61 TYR QE . . 8.500 6.562 2.847 7.670 . 0 0 "[ . 1 . 2]" 1
427 1 22 HIS H 1 22 HIS HB2 . . 3.800 3.088 2.255 3.909 0.109 14 0 "[ . 1 . 2]" 1
428 1 22 HIS H 1 22 HIS HB3 . . 4.300 3.314 2.392 3.890 . 0 0 "[ . 1 . 2]" 1
429 1 22 HIS H 1 61 TYR QD . . 8.500 5.116 3.683 5.994 . 0 0 "[ . 1 . 2]" 1
430 1 22 HIS H 1 61 TYR QE . . 8.500 6.474 2.300 7.588 . 0 0 "[ . 1 . 2]" 1
431 1 22 HIS HA 1 23 ILE H . . 3.300 2.208 2.117 2.317 . 0 0 "[ . 1 . 2]" 1
432 1 22 HIS HA 1 23 ILE MD . . 7.500 5.004 3.612 5.684 . 0 0 "[ . 1 . 2]" 1
433 1 22 HIS HA 1 23 ILE MG . . 7.500 4.300 3.419 5.473 . 0 0 "[ . 1 . 2]" 1
434 1 22 HIS HA 1 60 ASN HA . . 3.900 2.660 2.047 3.539 . 0 0 "[ . 1 . 2]" 1
435 1 22 HIS HA 1 61 TYR H . . 4.000 2.791 1.994 4.039 0.039 7 0 "[ . 1 . 2]" 1
436 1 22 HIS HA 1 61 TYR QD . . 8.500 5.236 4.459 5.699 . 0 0 "[ . 1 . 2]" 1
437 1 22 HIS HA 1 61 TYR QE . . 8.500 6.928 4.171 7.629 . 0 0 "[ . 1 . 2]" 1
438 1 22 HIS HB2 1 23 ILE H . . 5.400 4.159 3.340 4.647 . 0 0 "[ . 1 . 2]" 1
439 1 22 HIS HB2 1 58 ARG QG . . 6.500 5.433 3.581 6.541 0.041 10 0 "[ . 1 . 2]" 1
440 1 22 HIS HB3 1 23 ILE H . . 4.100 3.695 2.873 4.426 0.326 10 0 "[ . 1 . 2]" 1
441 1 22 HIS HB3 1 58 ARG QB . . 6.500 4.820 3.016 5.831 . 0 0 "[ . 1 . 2]" 1
442 1 22 HIS HB3 1 59 VAL H . . 6.500 4.819 3.438 6.275 . 0 0 "[ . 1 . 2]" 1
443 1 22 HIS HD2 1 23 ILE HB . . 6.500 6.432 5.811 6.556 0.056 9 0 "[ . 1 . 2]" 1
444 1 22 HIS HD2 1 54 ASP H . . 6.500 5.699 4.902 6.440 . 0 0 "[ . 1 . 2]" 1
445 1 22 HIS HD2 1 58 ARG QB . . 6.500 2.787 2.103 4.285 . 0 0 "[ . 1 . 2]" 1
446 1 22 HIS HD2 1 59 VAL HA . . 6.500 4.074 3.281 4.984 . 0 0 "[ . 1 . 2]" 1
447 1 22 HIS HD2 1 60 ASN H . . 6.500 4.510 3.255 5.649 . 0 0 "[ . 1 . 2]" 1
448 1 22 HIS HD2 1 60 ASN HA . . 6.500 4.032 2.683 4.784 . 0 0 "[ . 1 . 2]" 1
449 1 22 HIS HD2 1 60 ASN HB2 . . 6.500 5.657 3.705 7.060 0.560 2 1 "[ + . 1 . 2]" 1
450 1 23 ILE H 1 23 ILE MD . . 4.100 3.368 1.959 3.935 . 0 0 "[ . 1 . 2]" 1
451 1 23 ILE H 1 23 ILE MG . . 4.700 2.974 2.002 3.915 . 0 0 "[ . 1 . 2]" 1
452 1 23 ILE H 1 59 VAL H . . 4.400 3.483 2.814 4.422 0.022 14 0 "[ . 1 . 2]" 1
453 1 23 ILE H 1 61 TYR H . . 6.500 3.645 2.954 4.765 . 0 0 "[ . 1 . 2]" 1
454 1 23 ILE H 1 61 TYR QD . . 8.500 5.354 4.331 5.656 . 0 0 "[ . 1 . 2]" 1
455 1 23 ILE H 1 61 TYR QE . . 8.500 7.047 3.978 7.621 . 0 0 "[ . 1 . 2]" 1
456 1 23 ILE HA 1 23 ILE MD . . 4.300 3.938 3.557 4.170 . 0 0 "[ . 1 . 2]" 1
457 1 23 ILE HA 1 23 ILE MG . . 3.700 2.311 2.151 2.596 . 0 0 "[ . 1 . 2]" 1
458 1 23 ILE HA 1 24 THR H . . 3.300 2.309 2.071 2.828 . 0 0 "[ . 1 . 2]" 1
459 1 23 ILE HA 1 27 GLU HB2 . . 5.800 5.032 4.404 5.559 . 0 0 "[ . 1 . 2]" 1
460 1 23 ILE HA 1 28 LEU HG . . 6.500 5.812 5.335 6.448 . 0 0 "[ . 1 . 2]" 1
461 1 23 ILE HA 1 61 TYR QB . . 6.500 4.473 3.570 5.864 . 0 0 "[ . 1 . 2]" 1
462 1 23 ILE HA 1 61 TYR QD . . 8.500 5.501 4.386 6.931 . 0 0 "[ . 1 . 2]" 1
463 1 23 ILE HB 1 24 THR H . . 3.100 2.406 1.964 3.151 0.051 13 0 "[ . 1 . 2]" 1
464 1 23 ILE HB 1 24 THR MG . . 7.500 4.550 3.854 5.927 . 0 0 "[ . 1 . 2]" 1
465 1 23 ILE HB 1 27 GLU HB2 . . 6.500 4.445 3.219 6.218 . 0 0 "[ . 1 . 2]" 1
466 1 23 ILE HB 1 27 GLU HB3 . . 6.500 4.939 3.561 6.418 . 0 0 "[ . 1 . 2]" 1
467 1 23 ILE HB 1 28 LEU HG . . 6.500 3.603 3.080 4.394 . 0 0 "[ . 1 . 2]" 1
468 1 23 ILE HB 1 61 TYR QD . . 8.500 5.668 4.846 6.272 . 0 0 "[ . 1 . 2]" 1
469 1 23 ILE MD 1 24 THR H . . 7.500 3.834 3.087 4.970 . 0 0 "[ . 1 . 2]" 1
470 1 23 ILE MD 1 27 GLU H . . 7.500 5.647 4.406 7.361 . 0 0 "[ . 1 . 2]" 1
471 1 23 ILE MD 1 27 GLU HB2 . . 7.500 5.282 4.491 6.351 . 0 0 "[ . 1 . 2]" 1
472 1 23 ILE MD 1 28 LEU H . . 7.500 4.174 3.378 5.433 . 0 0 "[ . 1 . 2]" 1
473 1 23 ILE MD 1 28 LEU MD1 . . 8.500 2.029 1.816 2.780 . 0 0 "[ . 1 . 2]" 1
474 1 23 ILE MD 1 28 LEU MD2 . . 8.500 3.695 2.764 4.370 . 0 0 "[ . 1 . 2]" 1
475 1 23 ILE MD 1 28 LEU HG . . 7.500 2.797 2.114 4.017 . 0 0 "[ . 1 . 2]" 1
476 1 23 ILE MD 1 51 ALA MB . . 8.500 3.636 2.860 5.938 . 0 0 "[ . 1 . 2]" 1
477 1 23 ILE MD 1 59 VAL HB . . 7.500 2.949 2.016 4.736 . 0 0 "[ . 1 . 2]" 1
478 1 23 ILE MD 1 61 TYR H . . 7.500 5.227 4.061 6.441 . 0 0 "[ . 1 . 2]" 1
479 1 23 ILE MD 1 61 TYR QD . . 9.500 4.903 2.085 6.278 . 0 0 "[ . 1 . 2]" 1
480 1 23 ILE MD 1 61 TYR QE . . 9.500 6.297 3.678 7.897 . 0 0 "[ . 1 . 2]" 1
481 1 23 ILE MD 1 64 PHE QD . . 9.500 3.178 2.122 4.998 . 0 0 "[ . 1 . 2]" 1
482 1 23 ILE MD 1 64 PHE QE . . 9.500 3.846 2.769 5.084 . 0 0 "[ . 1 . 2]" 1
483 1 23 ILE MD 1 64 PHE HZ . . 7.500 5.344 4.455 6.541 . 0 0 "[ . 1 . 2]" 1
484 1 23 ILE QG 1 24 THR H . . 7.500 3.899 2.256 4.362 . 0 0 "[ . 1 . 2]" 1
485 1 23 ILE QG 1 28 LEU HA . . 7.500 5.819 3.691 6.735 . 0 0 "[ . 1 . 2]" 1
486 1 23 ILE QG 1 61 TYR QD . . 9.500 4.652 2.794 5.652 . 0 0 "[ . 1 . 2]" 1
487 1 23 ILE QG 1 61 TYR QE . . 9.500 6.224 4.760 7.468 . 0 0 "[ . 1 . 2]" 1
488 1 23 ILE MG 1 24 THR H . . 7.500 3.209 1.794 4.028 . 0 0 "[ . 1 . 2]" 1
489 1 23 ILE MG 1 27 GLU HB2 . . 7.500 4.625 3.598 5.517 . 0 0 "[ . 1 . 2]" 1
490 1 23 ILE MG 1 28 LEU MD1 . . 8.500 3.453 2.738 4.290 . 0 0 "[ . 1 . 2]" 1
491 1 23 ILE MG 1 28 LEU MD2 . . 8.500 3.968 3.077 4.643 . 0 0 "[ . 1 . 2]" 1
492 1 23 ILE MG 1 28 LEU HG . . 7.500 2.932 2.038 3.750 . 0 0 "[ . 1 . 2]" 1
493 1 23 ILE MG 1 51 ALA MB . . 8.500 5.890 5.337 6.023 . 0 0 "[ . 1 . 2]" 1
494 1 23 ILE MG 1 59 VAL HB . . 7.000 4.877 3.680 5.972 . 0 0 "[ . 1 . 2]" 1
495 1 23 ILE MG 1 61 TYR H . . 7.500 4.125 3.195 6.226 . 0 0 "[ . 1 . 2]" 1
496 1 23 ILE MG 1 61 TYR QD . . 9.500 3.048 2.442 4.355 . 0 0 "[ . 1 . 2]" 1
497 1 23 ILE MG 1 61 TYR QE . . 9.500 4.434 2.183 5.754 . 0 0 "[ . 1 . 2]" 1
498 1 24 THR H 1 24 THR MG . . 4.600 2.846 1.908 3.653 . 0 0 "[ . 1 . 2]" 1
499 1 24 THR H 1 27 GLU H . . 5.200 4.370 3.865 5.109 . 0 0 "[ . 1 . 2]" 1
500 1 24 THR H 1 27 GLU HB2 . . 3.900 3.141 2.343 3.960 0.060 15 0 "[ . 1 . 2]" 1
501 1 24 THR H 1 27 GLU HB3 . . 4.300 3.972 2.258 4.370 0.070 12 0 "[ . 1 . 2]" 1
502 1 24 THR H 1 27 GLU QG . . 6.500 4.426 3.017 5.134 . 0 0 "[ . 1 . 2]" 1
503 1 24 THR H 1 28 LEU H . . 6.500 4.235 3.569 4.585 . 0 0 "[ . 1 . 2]" 1
504 1 24 THR H 1 28 LEU HG . . 6.500 5.277 4.414 6.171 . 0 0 "[ . 1 . 2]" 1
505 1 24 THR HA 1 24 THR MG . . 3.400 2.751 2.396 3.026 . 0 0 "[ . 1 . 2]" 1
506 1 24 THR HA 1 25 VAL H . . 3.300 2.092 1.998 2.236 . 0 0 "[ . 1 . 2]" 1
507 1 24 THR HA 1 25 VAL HA . . 5.700 4.373 4.286 4.521 . 0 0 "[ . 1 . 2]" 1
508 1 24 THR HA 1 25 VAL HB . . 6.200 4.857 3.972 5.691 . 0 0 "[ . 1 . 2]" 1
509 1 24 THR HA 1 26 ASP H . . 3.500 3.597 3.552 3.635 0.135 8 0 "[ . 1 . 2]" 1
510 1 24 THR HA 1 27 GLU H . . 4.600 4.488 4.170 4.675 0.075 1 0 "[ . 1 . 2]" 1
511 1 24 THR MG 1 25 VAL H . . 7.500 3.811 3.201 4.522 . 0 0 "[ . 1 . 2]" 1
512 1 24 THR MG 1 26 ASP H . . 7.500 3.019 2.029 4.357 . 0 0 "[ . 1 . 2]" 1
513 1 24 THR MG 1 26 ASP HB2 . . 7.500 3.929 2.630 5.417 . 0 0 "[ . 1 . 2]" 1
514 1 24 THR MG 1 27 GLU H . . 7.500 2.168 1.702 3.367 . 0 0 "[ . 1 . 2]" 1
515 1 24 THR MG 1 27 GLU HB2 . . 7.500 2.194 1.977 3.164 . 0 0 "[ . 1 . 2]" 1
516 1 24 THR MG 1 28 LEU H . . 7.500 3.875 3.410 4.737 . 0 0 "[ . 1 . 2]" 1
517 1 24 THR MG 1 28 LEU HG . . 7.500 6.227 5.921 6.321 . 0 0 "[ . 1 . 2]" 1
518 1 24 THR MG 1 59 VAL MG2 . . 8.500 6.782 4.950 8.500 . 0 0 "[ . 1 . 2]" 1
519 1 25 VAL H 1 25 VAL HB . . 3.700 2.862 2.009 3.611 . 0 0 "[ . 1 . 2]" 1
520 1 25 VAL H 1 25 VAL MG1 . . 3.800 2.819 2.207 3.743 . 0 0 "[ . 1 . 2]" 1
521 1 25 VAL H 1 26 ASP H . . 3.600 2.822 2.622 3.136 . 0 0 "[ . 1 . 2]" 1
522 1 25 VAL H 1 58 ARG HA . . 5.700 4.743 3.780 5.771 0.071 14 0 "[ . 1 . 2]" 1
523 1 25 VAL H 1 59 VAL MG1 . . 7.500 5.989 4.433 7.078 . 0 0 "[ . 1 . 2]" 1
524 1 25 VAL HA 1 25 VAL MG1 . . 3.500 2.497 2.161 3.126 . 0 0 "[ . 1 . 2]" 1
525 1 25 VAL HA 1 25 VAL MG2 . . 3.600 2.639 2.116 3.140 . 0 0 "[ . 1 . 2]" 1
526 1 25 VAL HA 1 26 ASP H . . 4.200 3.496 3.392 3.590 . 0 0 "[ . 1 . 2]" 1
527 1 25 VAL HA 1 27 GLU H . . 5.900 4.704 4.056 5.157 . 0 0 "[ . 1 . 2]" 1
528 1 25 VAL HA 1 28 LEU H . . 3.800 3.436 3.129 3.714 . 0 0 "[ . 1 . 2]" 1
529 1 25 VAL HA 1 28 LEU HB2 . . 3.400 2.271 2.035 2.660 . 0 0 "[ . 1 . 2]" 1
530 1 25 VAL HA 1 28 LEU HB3 . . 3.400 3.309 2.970 3.434 0.034 15 0 "[ . 1 . 2]" 1
531 1 25 VAL HA 1 28 LEU MD1 . . 7.500 2.424 2.134 3.155 . 0 0 "[ . 1 . 2]" 1
532 1 25 VAL HA 1 28 LEU MD2 . . 7.500 4.663 4.425 5.147 . 0 0 "[ . 1 . 2]" 1
533 1 25 VAL HA 1 29 ARG H . . 5.200 4.368 4.113 4.738 . 0 0 "[ . 1 . 2]" 1
534 1 25 VAL HA 1 48 ILE MD . . 7.500 5.098 2.816 5.838 . 0 0 "[ . 1 . 2]" 1
535 1 25 VAL HA 1 59 VAL MG1 . . 7.500 5.515 3.913 6.331 . 0 0 "[ . 1 . 2]" 1
536 1 25 VAL HA 1 59 VAL MG2 . . 7.500 4.723 3.060 6.348 . 0 0 "[ . 1 . 2]" 1
537 1 25 VAL HB 1 26 ASP H . . 3.700 3.523 2.748 3.799 0.099 4 0 "[ . 1 . 2]" 1
538 1 25 VAL HB 1 48 ILE MD . . 7.500 3.855 2.290 5.491 . 0 0 "[ . 1 . 2]" 1
539 1 25 VAL HB 1 48 ILE MG . . 7.500 4.813 3.998 6.206 . 0 0 "[ . 1 . 2]" 1
540 1 25 VAL QG 1 48 ILE MD . . 9.900 2.693 1.894 3.293 . 0 0 "[ . 1 . 2]" 1
541 1 25 VAL QG 1 59 VAL MG1 . . 9.900 3.931 2.535 5.032 . 0 0 "[ . 1 . 2]" 1
542 1 25 VAL MG1 1 26 ASP H . . 7.500 3.572 2.228 4.326 . 0 0 "[ . 1 . 2]" 1
543 1 25 VAL MG1 1 28 LEU H . . 7.500 4.929 4.422 5.310 . 0 0 "[ . 1 . 2]" 1
544 1 25 VAL MG1 1 29 ARG H . . 7.500 4.950 3.976 6.051 . 0 0 "[ . 1 . 2]" 1
545 1 25 VAL MG1 1 29 ARG HE . . 7.500 4.817 3.635 6.200 . 0 0 "[ . 1 . 2]" 1
546 1 25 VAL MG1 1 44 LEU QD . . 8.500 3.001 1.979 4.228 . 0 0 "[ . 1 . 2]" 1
547 1 25 VAL MG1 1 57 GLY HA3 . . 7.500 3.964 2.102 5.386 . 0 0 "[ . 1 . 2]" 1
548 1 25 VAL MG1 1 59 VAL H . . 7.500 5.545 3.818 6.296 . 0 0 "[ . 1 . 2]" 1
549 1 25 VAL MG2 1 26 ASP H . . 7.500 3.291 2.249 4.234 . 0 0 "[ . 1 . 2]" 1
550 1 25 VAL MG2 1 28 LEU H . . 7.500 4.983 4.545 5.300 . 0 0 "[ . 1 . 2]" 1
551 1 25 VAL MG2 1 29 ARG HE . . 7.500 5.312 4.153 6.302 . 0 0 "[ . 1 . 2]" 1
552 1 25 VAL MG2 1 57 GLY HA3 . . 7.300 3.859 2.678 6.180 . 0 0 "[ . 1 . 2]" 1
553 1 25 VAL MG2 1 59 VAL H . . 7.500 5.212 3.662 6.254 . 0 0 "[ . 1 . 2]" 1
554 1 26 ASP H 1 26 ASP HB2 . . 3.100 2.476 2.187 2.933 . 0 0 "[ . 1 . 2]" 1
555 1 26 ASP H 1 26 ASP HB3 . . 3.400 2.948 2.312 3.502 0.102 7 0 "[ . 1 . 2]" 1
556 1 26 ASP H 1 27 GLU H . . 3.500 2.577 2.396 2.803 . 0 0 "[ . 1 . 2]" 1
557 1 26 ASP H 1 27 GLU HB2 . . 6.500 4.411 3.918 5.875 . 0 0 "[ . 1 . 2]" 1
558 1 26 ASP H 1 27 GLU QG . . 6.500 5.004 4.481 5.833 . 0 0 "[ . 1 . 2]" 1
559 1 26 ASP HA 1 27 GLU H . . 4.400 3.530 3.431 3.605 . 0 0 "[ . 1 . 2]" 1
560 1 26 ASP HA 1 28 LEU H . . 6.500 4.259 3.999 4.383 . 0 0 "[ . 1 . 2]" 1
561 1 26 ASP HA 1 29 ARG H . . 4.000 3.122 2.926 3.493 . 0 0 "[ . 1 . 2]" 1
562 1 26 ASP HA 1 29 ARG HB2 . . 3.800 2.832 2.533 3.171 . 0 0 "[ . 1 . 2]" 1
563 1 26 ASP HA 1 29 ARG HB3 . . 3.900 3.152 2.491 3.909 0.009 14 0 "[ . 1 . 2]" 1
564 1 26 ASP HA 1 29 ARG HD2 . . 6.500 4.825 4.265 5.961 . 0 0 "[ . 1 . 2]" 1
565 1 26 ASP HA 1 29 ARG HD3 . . 6.500 5.563 5.285 5.948 . 0 0 "[ . 1 . 2]" 1
566 1 26 ASP HA 1 44 LEU HB3 . . 6.500 6.239 5.750 6.838 0.338 10 0 "[ . 1 . 2]" 1
567 1 26 ASP HB2 1 27 GLU H . . 3.800 3.598 2.500 4.008 0.208 6 0 "[ . 1 . 2]" 1
568 1 26 ASP HB3 1 27 GLU H . . 4.100 2.746 2.303 3.334 . 0 0 "[ . 1 . 2]" 1
569 1 27 GLU H 1 27 GLU HB2 . . 3.400 2.337 2.011 3.362 . 0 0 "[ . 1 . 2]" 1
570 1 27 GLU H 1 27 GLU HB3 . . 3.800 3.308 2.083 3.557 . 0 0 "[ . 1 . 2]" 1
571 1 27 GLU H 1 27 GLU QG . . 4.000 2.961 2.393 3.773 . 0 0 "[ . 1 . 2]" 1
572 1 27 GLU H 1 28 LEU H . . 3.500 2.712 2.297 3.080 . 0 0 "[ . 1 . 2]" 1
573 1 27 GLU H 1 28 LEU HG . . 6.500 6.112 5.550 6.543 0.043 14 0 "[ . 1 . 2]" 1
574 1 27 GLU H 1 29 ARG H . . 5.900 4.188 3.779 4.470 . 0 0 "[ . 1 . 2]" 1
575 1 27 GLU HA 1 27 GLU QG . . 3.500 2.320 2.135 3.186 . 0 0 "[ . 1 . 2]" 1
576 1 27 GLU HA 1 28 LEU H . . 4.700 3.559 3.517 3.601 . 0 0 "[ . 1 . 2]" 1
577 1 27 GLU HA 1 30 ARG QB . . 4.700 2.386 2.084 3.184 . 0 0 "[ . 1 . 2]" 1
578 1 27 GLU HA 1 31 ALA H . . 4.900 3.924 3.751 4.130 . 0 0 "[ . 1 . 2]" 1
579 1 27 GLU HB2 1 28 LEU H . . 3.800 2.896 2.586 3.963 0.163 15 0 "[ . 1 . 2]" 1
580 1 27 GLU HB2 1 28 LEU HG . . 6.500 5.509 4.883 5.915 . 0 0 "[ . 1 . 2]" 1
581 1 27 GLU HB3 1 28 LEU H . . 4.500 3.265 2.752 3.646 . 0 0 "[ . 1 . 2]" 1
582 1 27 GLU HB3 1 28 LEU HG . . 6.500 5.462 4.912 6.103 . 0 0 "[ . 1 . 2]" 1
583 1 27 GLU QG 1 28 LEU H . . 6.500 4.143 2.022 4.621 . 0 0 "[ . 1 . 2]" 1
584 1 27 GLU QG 1 30 ARG H . . 6.500 5.012 4.591 5.362 . 0 0 "[ . 1 . 2]" 1
585 1 27 GLU QG 1 30 ARG HA . . 6.500 6.496 6.035 6.666 0.166 15 0 "[ . 1 . 2]" 1
586 1 27 GLU QG 1 31 ALA H . . 6.500 5.224 3.649 5.575 . 0 0 "[ . 1 . 2]" 1
587 1 28 LEU H 1 28 LEU HB2 . . 3.200 2.010 1.962 2.109 . 0 0 "[ . 1 . 2]" 1
588 1 28 LEU H 1 28 LEU HB3 . . 3.100 3.209 3.056 3.257 0.157 5 0 "[ . 1 . 2]" 1
589 1 28 LEU H 1 28 LEU MD1 . . 5.600 3.873 3.421 4.274 . 0 0 "[ . 1 . 2]" 1
590 1 28 LEU H 1 28 LEU MD2 . . 5.400 4.210 4.079 4.325 . 0 0 "[ . 1 . 2]" 1
591 1 28 LEU H 1 28 LEU HG . . 4.700 3.509 3.215 3.898 . 0 0 "[ . 1 . 2]" 1
592 1 28 LEU H 1 29 ARG H . . 3.800 2.875 2.737 3.038 . 0 0 "[ . 1 . 2]" 1
593 1 28 LEU HA 1 28 LEU MD1 . . 4.800 3.762 3.663 3.855 . 0 0 "[ . 1 . 2]" 1
594 1 28 LEU HA 1 28 LEU MD2 . . 4.100 2.265 2.075 2.577 . 0 0 "[ . 1 . 2]" 1
595 1 28 LEU HA 1 28 LEU HG . . 3.600 2.485 2.221 2.762 . 0 0 "[ . 1 . 2]" 1
596 1 28 LEU HA 1 29 ARG H . . 4.600 3.582 3.539 3.621 . 0 0 "[ . 1 . 2]" 1
597 1 28 LEU HA 1 30 ARG H . . 6.500 4.497 4.119 4.825 . 0 0 "[ . 1 . 2]" 1
598 1 28 LEU HA 1 31 ALA H . . 4.600 3.402 3.168 3.627 . 0 0 "[ . 1 . 2]" 1
599 1 28 LEU HA 1 31 ALA MB . . 4.400 2.551 2.114 2.822 . 0 0 "[ . 1 . 2]" 1
600 1 28 LEU HB2 1 29 ARG H . . 3.500 3.109 2.898 3.469 . 0 0 "[ . 1 . 2]" 1
601 1 28 LEU HB2 1 44 LEU QD . . 7.500 3.308 2.914 3.712 . 0 0 "[ . 1 . 2]" 1
602 1 28 LEU HB2 1 64 PHE QD . . 8.500 6.239 5.826 7.172 . 0 0 "[ . 1 . 2]" 1
603 1 28 LEU HB2 1 64 PHE QE . . 8.500 5.540 4.814 6.868 . 0 0 "[ . 1 . 2]" 1
604 1 28 LEU HB3 1 29 ARG H . . 4.000 2.649 2.423 2.888 . 0 0 "[ . 1 . 2]" 1
605 1 28 LEU HB3 1 29 ARG HB3 . . 6.500 5.282 4.913 5.661 . 0 0 "[ . 1 . 2]" 1
606 1 28 LEU MD1 1 29 ARG H . . 7.500 4.429 4.204 4.639 . 0 0 "[ . 1 . 2]" 1
607 1 28 LEU MD1 1 29 ARG HA . . 7.500 5.430 5.016 5.779 . 0 0 "[ . 1 . 2]" 1
608 1 28 LEU MD1 1 32 MET ME . . 8.500 4.393 3.074 5.055 . 0 0 "[ . 1 . 2]" 1
609 1 28 LEU MD1 1 32 MET QG . . 8.500 5.261 4.522 6.311 . 0 0 "[ . 1 . 2]" 1
610 1 28 LEU MD1 1 44 LEU QD . . 8.500 2.619 2.061 3.067 . 0 0 "[ . 1 . 2]" 1
611 1 28 LEU MD1 1 44 LEU HG . . 7.500 4.798 4.024 5.368 . 0 0 "[ . 1 . 2]" 1
612 1 28 LEU MD1 1 48 ILE HA . . 7.500 4.899 4.567 5.340 . 0 0 "[ . 1 . 2]" 1
613 1 28 LEU MD1 1 48 ILE MD . . 8.500 5.287 2.971 5.765 . 0 0 "[ . 1 . 2]" 1
614 1 28 LEU MD1 1 51 ALA MB . . 8.500 3.504 3.009 4.365 . 0 0 "[ . 1 . 2]" 1
615 1 28 LEU MD1 1 53 VAL QG . . 9.900 6.338 5.724 6.619 . 0 0 "[ . 1 . 2]" 1
616 1 28 LEU MD1 1 59 VAL MG1 . . 8.500 3.766 2.318 4.384 . 0 0 "[ . 1 . 2]" 1
617 1 28 LEU MD1 1 59 VAL MG2 . . 8.500 3.600 2.786 4.342 . 0 0 "[ . 1 . 2]" 1
618 1 28 LEU MD1 1 61 TYR HA . . 7.500 5.332 4.869 5.835 . 0 0 "[ . 1 . 2]" 1
619 1 28 LEU MD1 1 64 PHE QD . . 9.500 3.052 2.393 3.955 . 0 0 "[ . 1 . 2]" 1
620 1 28 LEU MD1 1 64 PHE QE . . 9.500 2.481 2.097 3.582 . 0 0 "[ . 1 . 2]" 1
621 1 28 LEU MD1 1 64 PHE HZ . . 7.500 3.399 2.467 4.099 . 0 0 "[ . 1 . 2]" 1
622 1 28 LEU MD2 1 29 ARG H . . 7.500 4.204 3.695 4.460 . 0 0 "[ . 1 . 2]" 1
623 1 28 LEU MD2 1 31 ALA H . . 7.500 4.618 4.145 4.983 . 0 0 "[ . 1 . 2]" 1
624 1 28 LEU MD2 1 31 ALA MB . . 8.500 2.898 2.521 3.307 . 0 0 "[ . 1 . 2]" 1
625 1 28 LEU MD2 1 32 MET ME . . 8.500 2.997 1.973 4.152 . 0 0 "[ . 1 . 2]" 1
626 1 28 LEU MD2 1 32 MET QG . . 8.500 3.361 2.856 4.303 . 0 0 "[ . 1 . 2]" 1
627 1 28 LEU MD2 1 44 LEU QD . . 8.500 2.579 2.166 3.349 . 0 0 "[ . 1 . 2]" 1
628 1 28 LEU MD2 1 44 LEU HG . . 7.500 4.705 3.926 5.619 . 0 0 "[ . 1 . 2]" 1
629 1 28 LEU MD2 1 48 ILE MD . . 8.500 6.418 4.534 7.328 . 0 0 "[ . 1 . 2]" 1
630 1 28 LEU MD2 1 59 VAL MG1 . . 8.500 5.543 3.988 5.953 . 0 0 "[ . 1 . 2]" 1
631 1 28 LEU MD2 1 59 VAL MG2 . . 8.500 5.532 4.749 5.933 . 0 0 "[ . 1 . 2]" 1
632 1 28 LEU MD2 1 61 TYR HA . . 7.500 6.195 5.899 6.292 . 0 0 "[ . 1 . 2]" 1
633 1 28 LEU MD2 1 61 TYR QB . . 7.500 6.482 5.765 6.885 . 0 0 "[ . 1 . 2]" 1
634 1 28 LEU MD2 1 61 TYR QD . . 9.500 5.871 5.408 6.189 . 0 0 "[ . 1 . 2]" 1
635 1 28 LEU MD2 1 64 PHE HB2 . . 7.500 6.236 5.711 6.981 . 0 0 "[ . 1 . 2]" 1
636 1 28 LEU MD2 1 64 PHE QD . . 9.500 4.183 3.053 4.708 . 0 0 "[ . 1 . 2]" 1
637 1 28 LEU MD2 1 64 PHE QE . . 9.500 3.398 1.981 4.397 . 0 0 "[ . 1 . 2]" 1
638 1 28 LEU MD2 1 64 PHE HZ . . 7.500 4.125 2.869 5.075 . 0 0 "[ . 1 . 2]" 1
639 1 28 LEU HG 1 29 ARG H . . 6.500 4.952 4.796 5.121 . 0 0 "[ . 1 . 2]" 1
640 1 28 LEU HG 1 31 ALA MB . . 7.500 4.282 3.728 4.712 . 0 0 "[ . 1 . 2]" 1
641 1 28 LEU HG 1 47 MET HB3 . . 6.500 6.867 6.233 7.237 0.737 2 7 "[*+ .** -1 * . *2]" 1
642 1 28 LEU HG 1 61 TYR HA . . 6.500 6.165 5.702 6.521 0.021 5 0 "[ . 1 . 2]" 1
643 1 28 LEU HG 1 61 TYR QB . . 6.500 6.379 5.489 6.661 0.161 4 0 "[ . 1 . 2]" 1
644 1 28 LEU HG 1 61 TYR QD . . 8.500 6.027 5.446 6.340 . 0 0 "[ . 1 . 2]" 1
645 1 28 LEU HG 1 61 TYR QE . . 8.500 7.246 4.877 7.674 . 0 0 "[ . 1 . 2]" 1
646 1 29 ARG H 1 29 ARG HB2 . . 3.400 2.164 2.029 2.273 . 0 0 "[ . 1 . 2]" 1
647 1 29 ARG H 1 29 ARG HB3 . . 3.200 2.833 2.583 3.143 . 0 0 "[ . 1 . 2]" 1
648 1 29 ARG H 1 29 ARG HD2 . . 6.500 5.357 4.919 5.903 . 0 0 "[ . 1 . 2]" 1
649 1 29 ARG H 1 29 ARG HD3 . . 5.300 5.563 4.449 5.862 0.562 10 6 "[* . * + .-* *2]" 1
650 1 29 ARG H 1 30 ARG H . . 3.500 2.750 2.467 2.891 . 0 0 "[ . 1 . 2]" 1
651 1 29 ARG H 1 48 ILE MD . . 7.500 5.539 4.558 6.560 . 0 0 "[ . 1 . 2]" 1
652 1 29 ARG HA 1 29 ARG HB3 . . 3.100 3.025 2.966 3.056 . 0 0 "[ . 1 . 2]" 1
653 1 29 ARG HA 1 30 ARG H . . 4.400 3.566 3.512 3.616 . 0 0 "[ . 1 . 2]" 1
654 1 29 ARG HA 1 31 ALA H . . 6.500 4.484 4.313 4.780 . 0 0 "[ . 1 . 2]" 1
655 1 29 ARG HA 1 32 MET H . . 4.200 3.681 3.321 4.050 . 0 0 "[ . 1 . 2]" 1
656 1 29 ARG HA 1 32 MET QB . . 5.100 3.276 2.826 3.867 . 0 0 "[ . 1 . 2]" 1
657 1 29 ARG HA 1 32 MET ME . . 7.500 4.382 3.429 5.725 . 0 0 "[ . 1 . 2]" 1
658 1 29 ARG HA 1 32 MET QG . . 7.500 3.443 2.266 4.686 . 0 0 "[ . 1 . 2]" 1
659 1 29 ARG HA 1 33 ALA H . . 5.800 5.333 4.904 5.696 . 0 0 "[ . 1 . 2]" 1
660 1 29 ARG HA 1 44 LEU QD . . 7.500 2.340 2.019 2.880 . 0 0 "[ . 1 . 2]" 1
661 1 29 ARG HA 1 48 ILE MD . . 7.500 6.024 5.046 7.610 0.110 13 0 "[ . 1 . 2]" 1
662 1 29 ARG HB2 1 30 ARG H . . 3.700 3.610 3.221 3.958 0.258 19 0 "[ . 1 . 2]" 1
663 1 29 ARG HB2 1 31 ALA MB . . 7.300 6.167 6.065 6.212 . 0 0 "[ . 1 . 2]" 1
664 1 29 ARG HB3 1 29 ARG HD2 . . 4.400 3.060 2.564 4.199 . 0 0 "[ . 1 . 2]" 1
665 1 29 ARG HB3 1 29 ARG HD3 . . 4.400 3.869 3.762 3.990 . 0 0 "[ . 1 . 2]" 1
666 1 29 ARG HB3 1 30 ARG H . . 4.200 2.653 2.302 3.153 . 0 0 "[ . 1 . 2]" 1
667 1 29 ARG HB3 1 31 ALA MB . . 7.400 6.117 5.950 6.190 . 0 0 "[ . 1 . 2]" 1
668 1 29 ARG HB3 1 44 LEU QD . . 7.500 4.075 3.812 4.462 . 0 0 "[ . 1 . 2]" 1
669 1 29 ARG QD 1 48 ILE QG . . 7.500 5.498 5.088 6.395 . 0 0 "[ . 1 . 2]" 1
670 1 29 ARG HE 1 48 ILE HA . . 6.500 6.518 6.273 6.581 0.081 9 0 "[ . 1 . 2]" 1
671 1 29 ARG HE 1 48 ILE MD . . 7.500 2.820 2.367 4.864 . 0 0 "[ . 1 . 2]" 1
672 1 30 ARG H 1 30 ARG QD . . 5.800 3.771 2.387 4.807 . 0 0 "[ . 1 . 2]" 1
673 1 30 ARG H 1 31 ALA H . . 3.400 2.734 2.410 2.896 . 0 0 "[ . 1 . 2]" 1
674 1 30 ARG H 1 31 ALA MB . . 5.600 4.342 3.975 4.511 . 0 0 "[ . 1 . 2]" 1
675 1 30 ARG HA 1 31 ALA H . . 4.400 3.586 3.540 3.623 . 0 0 "[ . 1 . 2]" 1
676 1 30 ARG HA 1 32 MET H . . 5.900 4.429 4.141 4.655 . 0 0 "[ . 1 . 2]" 1
677 1 30 ARG HA 1 33 ALA H . . 3.900 3.581 2.962 3.857 . 0 0 "[ . 1 . 2]" 1
678 1 30 ARG HA 1 33 ALA MB . . 4.300 3.237 2.588 3.601 . 0 0 "[ . 1 . 2]" 1
679 1 30 ARG QB 1 31 ALA H . . 5.400 2.622 2.303 2.903 . 0 0 "[ . 1 . 2]" 1
680 1 30 ARG QD 1 31 ALA H . . 7.500 4.793 4.275 5.146 . 0 0 "[ . 1 . 2]" 1
681 1 30 ARG QG 1 31 ALA H . . 7.500 4.282 3.694 4.692 . 0 0 "[ . 1 . 2]" 1
682 1 31 ALA H 1 31 ALA MB . . 3.400 2.218 2.161 2.279 . 0 0 "[ . 1 . 2]" 1
683 1 31 ALA H 1 32 MET H . . 3.500 2.887 2.741 3.022 . 0 0 "[ . 1 . 2]" 1
684 1 31 ALA H 1 44 LEU QD . . 7.500 5.134 4.739 5.482 . 0 0 "[ . 1 . 2]" 1
685 1 31 ALA HA 1 32 MET H . . 4.400 3.557 3.481 3.601 . 0 0 "[ . 1 . 2]" 1
686 1 31 ALA HA 1 33 ALA H . . 6.500 3.959 3.762 4.190 . 0 0 "[ . 1 . 2]" 1
687 1 31 ALA HA 1 34 GLY H . . 4.800 3.514 3.190 3.791 . 0 0 "[ . 1 . 2]" 1
688 1 31 ALA MB 1 32 MET H . . 3.600 2.427 2.316 2.597 . 0 0 "[ . 1 . 2]" 1
689 1 31 ALA MB 1 32 MET QG . . 8.500 3.190 2.511 4.071 . 0 0 "[ . 1 . 2]" 1
690 1 31 ALA MB 1 34 GLY QA . . 6.400 4.736 4.592 4.778 . 0 0 "[ . 1 . 2]" 1
691 1 32 MET H 1 32 MET ME . . 6.800 4.313 3.315 4.650 . 0 0 "[ . 1 . 2]" 1
692 1 32 MET H 1 32 MET QG . . 5.100 2.376 2.024 3.413 . 0 0 "[ . 1 . 2]" 1
693 1 32 MET H 1 33 ALA H . . 3.600 2.898 2.641 3.105 . 0 0 "[ . 1 . 2]" 1
694 1 32 MET H 1 33 ALA MB . . 6.200 4.564 4.359 4.716 . 0 0 "[ . 1 . 2]" 1
695 1 32 MET H 1 44 LEU QD . . 7.500 4.207 3.736 4.777 . 0 0 "[ . 1 . 2]" 1
696 1 32 MET HA 1 32 MET ME . . 5.000 4.066 2.925 4.234 . 0 0 "[ . 1 . 2]" 1
697 1 32 MET HA 1 33 ALA H . . 4.400 3.518 3.450 3.590 . 0 0 "[ . 1 . 2]" 1
698 1 32 MET HA 1 33 ALA MB . . 6.000 4.982 4.870 5.025 . 0 0 "[ . 1 . 2]" 1
699 1 32 MET HA 1 35 LEU HB2 . . 3.500 2.519 2.146 3.232 . 0 0 "[ . 1 . 2]" 1
700 1 32 MET HA 1 35 LEU HB3 . . 5.000 4.075 3.101 4.698 . 0 0 "[ . 1 . 2]" 1
701 1 32 MET QB 1 33 ALA H . . 4.900 3.099 2.867 3.476 . 0 0 "[ . 1 . 2]" 1
702 1 32 MET QB 1 33 ALA MB . . 8.500 4.310 4.061 4.685 . 0 0 "[ . 1 . 2]" 1
703 1 32 MET QB 1 38 PRO HD2 . . 7.500 5.939 5.274 6.729 . 0 0 "[ . 1 . 2]" 1
704 1 32 MET QB 1 38 PRO HD3 . . 7.500 5.508 4.663 6.288 . 0 0 "[ . 1 . 2]" 1
705 1 32 MET QB 1 39 LEU QD . . 9.900 4.179 2.802 5.335 . 0 0 "[ . 1 . 2]" 1
706 1 32 MET QB 1 44 LEU QD . . 8.500 3.459 2.773 4.164 . 0 0 "[ . 1 . 2]" 1
707 1 32 MET ME 1 35 LEU QD . . 8.500 3.217 2.064 3.750 . 0 0 "[ . 1 . 2]" 1
708 1 32 MET ME 1 39 LEU H . . 7.500 5.669 4.403 6.284 . 0 0 "[ . 1 . 2]" 1
709 1 32 MET ME 1 39 LEU QD . . 9.900 5.166 2.064 6.187 . 0 0 "[ . 1 . 2]" 1
710 1 32 MET ME 1 44 LEU QD . . 8.100 2.355 1.859 3.605 . 0 0 "[ . 1 . 2]" 1
711 1 32 MET ME 1 44 LEU HG . . 7.500 4.727 4.102 6.267 . 0 0 "[ . 1 . 2]" 1
712 1 32 MET ME 1 64 PHE QD . . 9.500 6.491 5.434 7.083 . 0 0 "[ . 1 . 2]" 1
713 1 32 MET ME 1 64 PHE QE . . 9.500 5.046 4.119 5.776 . 0 0 "[ . 1 . 2]" 1
714 1 32 MET ME 1 64 PHE HZ . . 7.500 5.202 4.066 6.286 . 0 0 "[ . 1 . 2]" 1
715 1 32 MET ME 1 68 LEU HB2 . . 7.500 6.472 5.467 7.237 . 0 0 "[ . 1 . 2]" 1
716 1 32 MET ME 1 68 LEU MD2 . . 8.500 5.464 3.621 6.407 . 0 0 "[ . 1 . 2]" 1
717 1 32 MET QG 1 33 ALA H . . 7.500 4.423 4.140 4.832 . 0 0 "[ . 1 . 2]" 1
718 1 32 MET QG 1 33 ALA MB . . 8.500 5.620 5.380 5.923 . 0 0 "[ . 1 . 2]" 1
719 1 32 MET QG 1 35 LEU QD . . 8.500 2.847 1.949 3.699 . 0 0 "[ . 1 . 2]" 1
720 1 32 MET QG 1 39 LEU QD . . 9.900 4.731 1.946 6.560 . 0 0 "[ . 1 . 2]" 1
721 1 32 MET QG 1 44 LEU QD . . 8.500 2.708 1.941 3.943 . 0 0 "[ . 1 . 2]" 1
722 1 32 MET QG 1 64 PHE QE . . 9.500 6.793 6.332 7.300 . 0 0 "[ . 1 . 2]" 1
723 1 32 MET QG 1 68 LEU MD2 . . 8.500 7.430 5.915 8.375 . 0 0 "[ . 1 . 2]" 1
724 1 33 ALA H 1 33 ALA MB . . 3.400 2.238 2.195 2.280 . 0 0 "[ . 1 . 2]" 1
725 1 33 ALA HA 1 34 GLY H . . 4.300 3.541 3.511 3.566 . 0 0 "[ . 1 . 2]" 1
726 1 33 ALA HA 1 37 GLN QG . . 7.500 5.928 4.954 6.690 . 0 0 "[ . 1 . 2]" 1
727 1 33 ALA MB 1 34 GLY H . . 3.700 2.676 2.449 2.879 . 0 0 "[ . 1 . 2]" 1
728 1 33 ALA MB 1 35 LEU H . . 7.500 4.513 4.384 4.668 . 0 0 "[ . 1 . 2]" 1
729 1 33 ALA MB 1 37 GLN QE . . 7.500 7.262 6.040 8.047 0.547 4 1 "[ +. 1 . 2]" 1
730 1 34 GLY H 1 35 LEU H . . 3.500 2.639 2.504 2.847 . 0 0 "[ . 1 . 2]" 1
731 1 34 GLY HA2 1 35 LEU H . . 4.400 3.576 3.552 3.602 . 0 0 "[ . 1 . 2]" 1
732 1 34 GLY HA3 1 35 LEU H . . 3.900 2.899 2.703 3.090 . 0 0 "[ . 1 . 2]" 1
733 1 35 LEU H 1 35 LEU HB2 . . 2.900 2.272 2.098 2.451 . 0 0 "[ . 1 . 2]" 1
734 1 35 LEU H 1 35 LEU HB3 . . 3.900 3.526 3.160 3.624 . 0 0 "[ . 1 . 2]" 1
735 1 35 LEU H 1 35 LEU QD . . 4.800 2.967 2.191 3.395 . 0 0 "[ . 1 . 2]" 1
736 1 35 LEU H 1 36 GLY H . . 3.500 2.738 2.507 2.881 . 0 0 "[ . 1 . 2]" 1
737 1 35 LEU HA 1 35 LEU HB2 . . 3.100 3.009 2.803 3.054 . 0 0 "[ . 1 . 2]" 1
738 1 35 LEU HA 1 35 LEU QD . . 3.500 2.186 2.037 2.424 . 0 0 "[ . 1 . 2]" 1
739 1 35 LEU HA 1 36 GLY H . . 3.600 3.586 3.386 3.617 0.017 12 0 "[ . 1 . 2]" 1
740 1 35 LEU HA 1 37 GLN QG . . 7.500 5.869 4.370 6.722 . 0 0 "[ . 1 . 2]" 1
741 1 35 LEU HB2 1 36 GLY H . . 4.300 2.766 2.193 3.779 . 0 0 "[ . 1 . 2]" 1
742 1 35 LEU HB2 1 37 GLN H . . 6.500 3.290 2.573 4.510 . 0 0 "[ . 1 . 2]" 1
743 1 35 LEU HB2 1 38 PRO HA . . 5.300 5.555 5.237 5.820 0.520 15 1 "[ . 1 + 2]" 1
744 1 35 LEU HB2 1 38 PRO HD3 . . 6.500 6.194 5.733 6.810 0.310 7 0 "[ . 1 . 2]" 1
745 1 35 LEU HB3 1 36 GLY H . . 4.400 3.298 2.725 4.227 . 0 0 "[ . 1 . 2]" 1
746 1 35 LEU HB3 1 37 GLN H . . 5.000 3.402 2.787 3.829 . 0 0 "[ . 1 . 2]" 1
747 1 35 LEU HB3 1 38 PRO HD3 . . 6.500 6.812 6.146 7.175 0.675 3 6 "[* + . *1 * .-* 2]" 1
748 1 35 LEU QD 1 36 GLY H . . 7.500 4.076 3.819 4.620 . 0 0 "[ . 1 . 2]" 1
749 1 35 LEU QD 1 38 PRO HA . . 7.500 5.868 5.566 6.275 . 0 0 "[ . 1 . 2]" 1
750 1 36 GLY H 1 36 GLY HA2 . . 2.600 2.574 2.305 2.864 0.264 13 0 "[ . 1 . 2]" 1
751 1 36 GLY H 1 37 GLN H . . 5.300 2.257 1.996 2.967 . 0 0 "[ . 1 . 2]" 1
752 1 36 GLY HA2 1 37 GLN H . . 4.700 3.477 3.198 3.581 . 0 0 "[ . 1 . 2]" 1
753 1 36 GLY HA3 1 37 GLN H . . 4.400 3.012 2.709 3.459 . 0 0 "[ . 1 . 2]" 1
754 1 37 GLN H 1 37 GLN HB2 . . 4.400 3.547 2.664 3.807 . 0 0 "[ . 1 . 2]" 1
755 1 37 GLN H 1 37 GLN HB3 . . 4.100 3.193 2.776 3.807 . 0 0 "[ . 1 . 2]" 1
756 1 37 GLN H 1 38 PRO HD2 . . 6.500 4.452 4.106 4.604 . 0 0 "[ . 1 . 2]" 1
757 1 37 GLN H 1 38 PRO HD3 . . 6.500 3.870 3.343 4.213 . 0 0 "[ . 1 . 2]" 1
758 1 37 GLN HA 1 38 PRO HD2 . . 6.500 2.210 2.128 2.331 . 0 0 "[ . 1 . 2]" 1
759 1 37 GLN HA 1 38 PRO HD3 . . 6.000 2.967 2.718 3.156 . 0 0 "[ . 1 . 2]" 1
760 1 37 GLN QE 1 44 LEU QD . . 7.500 4.965 4.236 5.494 . 0 0 "[ . 1 . 2]" 1
761 1 37 GLN QG 1 38 PRO HD2 . . 7.500 5.050 4.560 5.332 . 0 0 "[ . 1 . 2]" 1
762 1 37 GLN QG 1 38 PRO HD3 . . 7.500 5.159 4.850 5.612 . 0 0 "[ . 1 . 2]" 1
763 1 37 GLN QG 1 39 LEU H . . 7.500 5.602 4.128 6.719 . 0 0 "[ . 1 . 2]" 1
764 1 38 PRO HA 1 39 LEU H . . 3.800 2.217 2.146 2.255 . 0 0 "[ . 1 . 2]" 1
765 1 38 PRO HD2 1 40 PRO HB3 . . 6.500 5.810 4.966 7.257 0.757 9 2 "[ .- +1 . 2]" 1
766 1 38 PRO HD3 1 39 LEU H . . 6.500 5.466 5.255 5.575 . 0 0 "[ . 1 . 2]" 1
767 1 39 LEU H 1 44 LEU HG . . 6.500 6.431 5.770 6.576 0.076 1 0 "[ . 1 . 2]" 1
768 1 39 LEU QB 1 41 GLN H . . 6.800 4.499 3.717 6.060 . 0 0 "[ . 1 . 2]" 1
769 1 39 LEU QD 1 44 LEU H . . 8.900 5.699 3.594 6.695 . 0 0 "[ . 1 . 2]" 1
770 1 40 PRO HA 1 41 GLN H . . 3.000 2.418 2.334 2.543 . 0 0 "[ . 1 . 2]" 1
771 1 40 PRO HA 1 41 GLN HA . . 4.500 4.415 4.030 4.564 0.064 15 0 "[ . 1 . 2]" 1
772 1 40 PRO HA 1 42 GLU H . . 6.400 4.166 3.787 5.288 . 0 0 "[ . 1 . 2]" 1
773 1 40 PRO HB2 1 41 GLN H . . 4.300 3.884 2.346 4.386 0.086 15 0 "[ . 1 . 2]" 1
774 1 40 PRO HB2 1 42 GLU H . . 5.300 4.090 3.154 4.452 . 0 0 "[ . 1 . 2]" 1
775 1 40 PRO HB2 1 43 GLU H . . 5.100 3.106 2.470 4.306 . 0 0 "[ . 1 . 2]" 1
776 1 40 PRO HB3 1 40 PRO HD3 . . 4.400 3.045 2.797 3.385 . 0 0 "[ . 1 . 2]" 1
777 1 40 PRO HB3 1 41 GLN H . . 4.700 4.272 3.353 4.575 . 0 0 "[ . 1 . 2]" 1
778 1 40 PRO HB3 1 42 GLU H . . 5.400 5.370 4.874 5.454 0.054 8 0 "[ . 1 . 2]" 1
779 1 41 GLN H 1 41 GLN HB2 . . 3.400 2.414 2.141 3.579 0.179 15 0 "[ . 1 . 2]" 1
780 1 41 GLN H 1 41 GLN HB3 . . 3.500 3.104 2.248 3.569 0.069 17 0 "[ . 1 . 2]" 1
781 1 41 GLN H 1 42 GLU H . . 4.200 3.139 2.968 3.338 . 0 0 "[ . 1 . 2]" 1
782 1 41 GLN HA 1 41 GLN HB2 . . 3.100 2.707 2.283 3.026 . 0 0 "[ . 1 . 2]" 1
783 1 41 GLN HA 1 41 GLN HE21 . . 6.200 3.045 2.000 4.754 . 0 0 "[ . 1 . 2]" 1
784 1 41 GLN HA 1 41 GLN HE22 . . 6.500 3.870 3.222 4.889 . 0 0 "[ . 1 . 2]" 1
785 1 41 GLN HA 1 42 GLU H . . 4.300 3.557 3.461 3.655 . 0 0 "[ . 1 . 2]" 1
786 1 41 GLN HA 1 43 GLU H . . 5.200 4.417 4.114 4.705 . 0 0 "[ . 1 . 2]" 1
787 1 41 GLN HA 1 44 LEU H . . 4.200 3.751 3.384 3.994 . 0 0 "[ . 1 . 2]" 1
788 1 41 GLN HA 1 44 LEU HB2 . . 3.700 3.659 3.205 3.812 0.112 11 0 "[ . 1 . 2]" 1
789 1 41 GLN HA 1 44 LEU HB3 . . 3.800 3.421 2.913 3.761 . 0 0 "[ . 1 . 2]" 1
790 1 41 GLN HA 1 44 LEU QD . . 7.500 4.803 4.468 4.961 . 0 0 "[ . 1 . 2]" 1
791 1 41 GLN HA 1 44 LEU HG . . 6.500 5.254 4.748 5.557 . 0 0 "[ . 1 . 2]" 1
792 1 41 GLN HA 1 45 ASP H . . 4.800 3.664 3.201 3.922 . 0 0 "[ . 1 . 2]" 1
793 1 41 GLN HB2 1 42 GLU H . . 4.000 3.549 2.508 4.075 0.075 13 0 "[ . 1 . 2]" 1
794 1 41 GLN HB3 1 42 GLU H . . 3.900 3.064 2.471 4.056 0.156 15 0 "[ . 1 . 2]" 1
795 1 41 GLN HE21 1 44 LEU QD . . 7.500 5.752 4.739 7.146 . 0 0 "[ . 1 . 2]" 1
796 1 41 GLN HE22 1 44 LEU QD . . 7.500 5.634 4.646 7.094 . 0 0 "[ . 1 . 2]" 1
797 1 41 GLN QG 1 42 GLU H . . 7.500 4.028 2.217 4.737 . 0 0 "[ . 1 . 2]" 1
798 1 41 GLN QG 1 45 ASP H . . 7.500 4.894 3.737 5.761 . 0 0 "[ . 1 . 2]" 1
799 1 42 GLU H 1 42 GLU QB . . 3.900 2.295 2.041 2.597 . 0 0 "[ . 1 . 2]" 1
800 1 42 GLU H 1 43 GLU H . . 3.500 2.760 2.527 3.183 . 0 0 "[ . 1 . 2]" 1
801 1 42 GLU H 1 44 LEU H . . 5.700 4.255 3.857 4.696 . 0 0 "[ . 1 . 2]" 1
802 1 42 GLU H 1 44 LEU HB2 . . 6.500 5.710 5.379 6.350 . 0 0 "[ . 1 . 2]" 1
803 1 42 GLU HA 1 43 GLU H . . 4.400 3.567 3.520 3.626 . 0 0 "[ . 1 . 2]" 1
804 1 42 GLU HA 1 43 GLU HG2 . . 6.500 6.264 5.346 7.380 0.880 16 2 "[ - . 1 .+ 2]" 1
805 1 42 GLU HA 1 45 ASP H . . 3.900 3.468 3.096 3.922 0.022 7 0 "[ . 1 . 2]" 1
806 1 42 GLU HA 1 45 ASP HB2 . . 3.200 2.890 2.212 3.565 0.365 3 0 "[ . 1 . 2]" 1
807 1 42 GLU HA 1 45 ASP HB3 . . 4.100 3.039 2.165 4.121 0.021 17 0 "[ . 1 . 2]" 1
808 1 42 GLU HA 1 46 ALA H . . 4.500 3.658 3.536 3.746 . 0 0 "[ . 1 . 2]" 1
809 1 42 GLU HA 1 46 ALA MB . . 5.000 4.238 4.211 4.262 . 0 0 "[ . 1 . 2]" 1
810 1 42 GLU QB 1 43 GLU H . . 5.000 2.756 2.427 3.438 . 0 0 "[ . 1 . 2]" 1
811 1 42 GLU QG 1 43 GLU H . . 7.500 3.805 1.844 4.594 . 0 0 "[ . 1 . 2]" 1
812 1 42 GLU QG 1 43 GLU HG2 . . 6.700 5.602 2.285 6.571 . 0 0 "[ . 1 . 2]" 1
813 1 42 GLU QG 1 45 ASP HA . . 7.500 6.714 6.552 6.816 . 0 0 "[ . 1 . 2]" 1
814 1 42 GLU QG 1 46 ALA H . . 7.500 5.086 4.231 5.729 . 0 0 "[ . 1 . 2]" 1
815 1 43 GLU H 1 43 GLU HB2 . . 3.700 2.252 2.029 2.581 . 0 0 "[ . 1 . 2]" 1
816 1 43 GLU H 1 43 GLU HB3 . . 3.200 3.142 2.504 3.679 0.479 11 0 "[ . 1 . 2]" 1
817 1 43 GLU H 1 43 GLU HG2 . . 4.800 3.798 2.538 4.614 . 0 0 "[ . 1 . 2]" 1
818 1 43 GLU H 1 44 LEU H . . 3.100 2.415 2.283 2.542 . 0 0 "[ . 1 . 2]" 1
819 1 43 GLU H 1 44 LEU HB2 . . 4.900 4.466 4.223 4.631 . 0 0 "[ . 1 . 2]" 1
820 1 43 GLU H 1 44 LEU HB3 . . 5.200 5.225 5.203 5.245 0.045 19 0 "[ . 1 . 2]" 1
821 1 43 GLU H 1 45 ASP H . . 5.000 3.824 3.480 4.329 . 0 0 "[ . 1 . 2]" 1
822 1 43 GLU H 1 46 ALA MB . . 7.500 4.655 4.523 4.854 . 0 0 "[ . 1 . 2]" 1
823 1 43 GLU HA 1 43 GLU HB3 . . 3.100 2.865 2.412 3.046 . 0 0 "[ . 1 . 2]" 1
824 1 43 GLU HA 1 43 GLU HG3 . . 4.300 3.487 2.390 3.777 . 0 0 "[ . 1 . 2]" 1
825 1 43 GLU HA 1 44 LEU H . . 4.200 3.588 3.556 3.689 . 0 0 "[ . 1 . 2]" 1
826 1 43 GLU HA 1 46 ALA H . . 3.800 3.658 3.494 3.818 0.018 7 0 "[ . 1 . 2]" 1
827 1 43 GLU HA 1 46 ALA MB . . 4.100 2.682 2.411 3.005 . 0 0 "[ . 1 . 2]" 1
828 1 43 GLU HB2 1 44 LEU H . . 3.800 3.201 2.433 3.801 0.001 2 0 "[ . 1 . 2]" 1
829 1 43 GLU HB3 1 44 LEU H . . 3.600 2.950 2.582 3.782 0.182 19 0 "[ . 1 . 2]" 1
830 1 43 GLU HB3 1 45 ASP H . . 5.700 5.366 5.050 5.839 0.139 11 0 "[ . 1 . 2]" 1
831 1 43 GLU HB3 1 46 ALA MB . . 7.500 4.793 4.015 5.098 . 0 0 "[ . 1 . 2]" 1
832 1 43 GLU HG2 1 46 ALA MB . . 7.500 4.270 3.781 5.131 . 0 0 "[ . 1 . 2]" 1
833 1 43 GLU HG3 1 44 LEU H . . 6.500 5.015 4.374 5.279 . 0 0 "[ . 1 . 2]" 1
834 1 44 LEU H 1 44 LEU HB2 . . 3.200 2.214 2.107 2.298 . 0 0 "[ . 1 . 2]" 1
835 1 44 LEU H 1 44 LEU HB3 . . 3.100 3.061 2.895 3.219 0.119 14 0 "[ . 1 . 2]" 1
836 1 44 LEU H 1 44 LEU HG . . 5.000 4.570 4.453 4.714 . 0 0 "[ . 1 . 2]" 1
837 1 44 LEU H 1 45 ASP H . . 3.400 2.779 2.594 2.985 . 0 0 "[ . 1 . 2]" 1
838 1 44 LEU H 1 45 ASP HA . . 5.500 5.354 5.136 5.511 0.011 15 0 "[ . 1 . 2]" 1
839 1 44 LEU H 1 46 ALA H . . 5.900 4.330 4.064 4.534 . 0 0 "[ . 1 . 2]" 1
840 1 44 LEU H 1 46 ALA MB . . 7.400 4.733 4.572 4.845 . 0 0 "[ . 1 . 2]" 1
841 1 44 LEU HA 1 44 LEU QD . . 3.400 1.961 1.888 2.003 . 0 0 "[ . 1 . 2]" 1
842 1 44 LEU HA 1 45 ASP H . . 4.200 3.608 3.507 3.690 . 0 0 "[ . 1 . 2]" 1
843 1 44 LEU HA 1 47 MET H . . 6.200 3.151 2.986 3.488 . 0 0 "[ . 1 . 2]" 1
844 1 44 LEU HA 1 47 MET HB3 . . 4.500 3.883 3.492 4.407 . 0 0 "[ . 1 . 2]" 1
845 1 44 LEU HA 1 47 MET HG2 . . 6.500 4.326 3.123 5.467 . 0 0 "[ . 1 . 2]" 1
846 1 44 LEU HA 1 47 MET HG3 . . 6.500 4.357 2.727 5.456 . 0 0 "[ . 1 . 2]" 1
847 1 44 LEU HA 1 48 ILE MD . . 7.500 4.473 3.580 6.136 . 0 0 "[ . 1 . 2]" 1
848 1 44 LEU HB2 1 45 ASP H . . 3.600 3.719 3.315 3.829 0.229 20 0 "[ . 1 . 2]" 1
849 1 44 LEU HB3 1 45 ASP H . . 3.800 3.008 2.451 3.258 . 0 0 "[ . 1 . 2]" 1
850 1 44 LEU HB3 1 48 ILE MD . . 7.500 3.195 2.560 5.848 . 0 0 "[ . 1 . 2]" 1
851 1 44 LEU QD 1 45 ASP H . . 7.500 4.022 3.709 4.173 . 0 0 "[ . 1 . 2]" 1
852 1 44 LEU QD 1 47 MET HB3 . . 8.900 2.992 2.586 3.341 . 0 0 "[ . 1 . 2]" 1
853 1 44 LEU QD 1 48 ILE H . . 7.500 3.172 2.868 3.334 . 0 0 "[ . 1 . 2]" 1
854 1 44 LEU QD 1 48 ILE MD . . 9.900 2.476 1.870 3.368 . 0 0 "[ . 1 . 2]" 1
855 1 44 LEU QD 1 64 PHE QD . . 9.500 5.612 5.006 6.141 . 0 0 "[ . 1 . 2]" 1
856 1 44 LEU QD 1 64 PHE QE . . 9.500 4.211 3.524 4.882 . 0 0 "[ . 1 . 2]" 1
857 1 44 LEU QD 1 64 PHE HZ . . 7.500 4.214 3.470 4.936 . 0 0 "[ . 1 . 2]" 1
858 1 44 LEU QD 1 68 LEU MD2 . . 8.500 6.324 4.814 7.209 . 0 0 "[ . 1 . 2]" 1
859 1 44 LEU HG 1 45 ASP H . . 6.500 5.321 4.848 5.530 . 0 0 "[ . 1 . 2]" 1
860 1 44 LEU HG 1 48 ILE HA . . 6.500 6.515 6.279 6.570 0.070 4 0 "[ . 1 . 2]" 1
861 1 44 LEU HG 1 48 ILE MD . . 7.500 4.045 3.107 5.893 . 0 0 "[ . 1 . 2]" 1
862 1 45 ASP H 1 45 ASP HB2 . . 3.100 2.518 2.167 2.735 . 0 0 "[ . 1 . 2]" 1
863 1 45 ASP H 1 45 ASP HB3 . . 3.600 3.020 2.495 3.609 0.009 18 0 "[ . 1 . 2]" 1
864 1 45 ASP H 1 46 ALA H . . 3.500 2.755 2.461 3.149 . 0 0 "[ . 1 . 2]" 1
865 1 45 ASP H 1 46 ALA MB . . 5.400 4.251 4.033 4.513 . 0 0 "[ . 1 . 2]" 1
866 1 45 ASP H 1 47 MET H . . 5.900 4.286 3.986 4.616 . 0 0 "[ . 1 . 2]" 1
867 1 45 ASP H 1 48 ILE HB . . 4.400 4.442 4.388 4.507 0.107 1 0 "[ . 1 . 2]" 1
868 1 45 ASP H 1 48 ILE MD . . 7.500 3.874 2.963 6.355 . 0 0 "[ . 1 . 2]" 1
869 1 45 ASP HA 1 46 ALA H . . 4.200 3.541 3.493 3.571 . 0 0 "[ . 1 . 2]" 1
870 1 45 ASP HA 1 47 MET H . . 5.400 4.719 4.159 4.998 . 0 0 "[ . 1 . 2]" 1
871 1 45 ASP HA 1 48 ILE H . . 4.500 3.269 3.014 3.490 . 0 0 "[ . 1 . 2]" 1
872 1 45 ASP HA 1 48 ILE HB . . 4.200 2.129 2.009 2.427 . 0 0 "[ . 1 . 2]" 1
873 1 45 ASP HA 1 48 ILE MD . . 7.500 2.594 2.076 4.505 . 0 0 "[ . 1 . 2]" 1
874 1 45 ASP HA 1 48 ILE QG . . 6.500 3.527 2.509 4.100 . 0 0 "[ . 1 . 2]" 1
875 1 45 ASP HB2 1 46 ALA H . . 3.500 3.228 2.428 3.819 0.319 4 0 "[ . 1 . 2]" 1
876 1 45 ASP HB2 1 46 ALA HA . . 6.500 5.169 4.498 5.716 . 0 0 "[ . 1 . 2]" 1
877 1 45 ASP HB2 1 46 ALA MB . . 7.500 4.637 3.881 5.218 . 0 0 "[ . 1 . 2]" 1
878 1 45 ASP HB3 1 46 ALA H . . 4.000 2.738 2.272 3.517 . 0 0 "[ . 1 . 2]" 1
879 1 46 ALA H 1 46 ALA MB . . 3.400 2.120 2.066 2.156 . 0 0 "[ . 1 . 2]" 1
880 1 46 ALA H 1 47 MET H . . 3.200 2.976 2.848 3.116 . 0 0 "[ . 1 . 2]" 1
881 1 46 ALA H 1 48 ILE H . . 5.500 4.005 3.844 4.350 . 0 0 "[ . 1 . 2]" 1
882 1 46 ALA HA 1 47 MET H . . 4.300 3.656 3.624 3.687 . 0 0 "[ . 1 . 2]" 1
883 1 46 ALA HA 1 49 ARG H . . 5.200 3.832 3.545 4.070 . 0 0 "[ . 1 . 2]" 1
884 1 46 ALA HA 1 49 ARG HB2 . . 5.400 3.883 2.989 4.638 . 0 0 "[ . 1 . 2]" 1
885 1 46 ALA HA 1 49 ARG HB3 . . 4.800 3.827 3.196 4.640 . 0 0 "[ . 1 . 2]" 1
886 1 46 ALA HA 1 49 ARG HD2 . . 6.500 5.457 3.995 6.517 0.017 9 0 "[ . 1 . 2]" 1
887 1 46 ALA HA 1 49 ARG HD3 . . 6.500 5.311 3.598 6.382 . 0 0 "[ . 1 . 2]" 1
888 1 46 ALA HA 1 49 ARG HG3 . . 6.500 6.032 5.022 6.898 0.398 7 0 "[ . 1 . 2]" 1
889 1 46 ALA MB 1 47 MET H . . 3.600 2.423 2.265 2.838 . 0 0 "[ . 1 . 2]" 1
890 1 46 ALA MB 1 47 MET HG2 . . 7.500 4.460 3.133 5.590 . 0 0 "[ . 1 . 2]" 1
891 1 46 ALA MB 1 48 ILE H . . 7.500 4.427 4.308 4.762 . 0 0 "[ . 1 . 2]" 1
892 1 47 MET H 1 47 MET HB2 . . 3.400 2.249 2.140 2.471 . 0 0 "[ . 1 . 2]" 1
893 1 47 MET H 1 47 MET HB3 . . 3.300 3.468 3.439 3.504 0.204 16 0 "[ . 1 . 2]" 1
894 1 47 MET H 1 47 MET ME . . 5.300 3.960 2.284 4.437 . 0 0 "[ . 1 . 2]" 1
895 1 47 MET H 1 47 MET HG2 . . 3.900 3.434 2.215 4.311 0.411 17 0 "[ . 1 . 2]" 1
896 1 47 MET H 1 47 MET HG3 . . 4.500 3.456 2.290 3.997 . 0 0 "[ . 1 . 2]" 1
897 1 47 MET H 1 48 ILE H . . 3.400 2.743 2.446 2.898 . 0 0 "[ . 1 . 2]" 1
898 1 47 MET H 1 48 ILE MG . . 7.500 5.748 4.744 6.123 . 0 0 "[ . 1 . 2]" 1
899 1 47 MET HA 1 47 MET ME . . 6.200 3.791 2.114 4.785 . 0 0 "[ . 1 . 2]" 1
900 1 47 MET HA 1 47 MET HG3 . . 3.900 2.944 2.214 3.745 . 0 0 "[ . 1 . 2]" 1
901 1 47 MET HA 1 48 ILE H . . 4.800 3.569 3.525 3.647 . 0 0 "[ . 1 . 2]" 1
902 1 47 MET HA 1 50 GLU H . . 5.500 3.257 2.907 3.984 . 0 0 "[ . 1 . 2]" 1
903 1 47 MET HA 1 50 GLU HB2 . . 3.700 2.872 2.210 4.478 0.778 10 1 "[ . + . 2]" 1
904 1 47 MET HA 1 51 ALA MB . . 6.600 4.264 3.201 4.779 . 0 0 "[ . 1 . 2]" 1
905 1 47 MET HB2 1 48 ILE H . . 4.700 3.016 2.448 3.261 . 0 0 "[ . 1 . 2]" 1
906 1 47 MET HB2 1 64 PHE QD . . 8.500 6.768 6.265 7.313 . 0 0 "[ . 1 . 2]" 1
907 1 47 MET HB2 1 64 PHE QE . . 8.500 4.704 4.064 5.213 . 0 0 "[ . 1 . 2]" 1
908 1 47 MET HB2 1 64 PHE HZ . . 6.500 3.928 3.350 4.396 . 0 0 "[ . 1 . 2]" 1
909 1 47 MET HB3 1 48 ILE H . . 3.800 3.597 3.177 3.878 0.078 6 0 "[ . 1 . 2]" 1
910 1 47 MET HB3 1 64 PHE QD . . 8.500 5.361 4.853 5.894 . 0 0 "[ . 1 . 2]" 1
911 1 47 MET HB3 1 64 PHE QE . . 8.500 3.316 2.650 3.916 . 0 0 "[ . 1 . 2]" 1
912 1 47 MET HB3 1 64 PHE HZ . . 6.500 2.532 2.084 2.978 . 0 0 "[ . 1 . 2]" 1
913 1 47 MET HG2 1 64 PHE QE . . 8.500 4.060 2.778 5.359 . 0 0 "[ . 1 . 2]" 1
914 1 47 MET HG3 1 64 PHE QE . . 8.500 4.065 3.254 5.454 . 0 0 "[ . 1 . 2]" 1
915 1 48 ILE H 1 48 ILE HB . . 3.100 2.216 2.055 2.581 . 0 0 "[ . 1 . 2]" 1
916 1 48 ILE H 1 48 ILE MD . . 5.100 3.563 2.884 4.277 . 0 0 "[ . 1 . 2]" 1
917 1 48 ILE H 1 48 ILE QG . . 4.000 2.923 2.189 3.813 . 0 0 "[ . 1 . 2]" 1
918 1 48 ILE H 1 48 ILE MG . . 4.800 3.622 3.209 3.835 . 0 0 "[ . 1 . 2]" 1
919 1 48 ILE H 1 49 ARG H . . 3.800 2.706 2.496 2.970 . 0 0 "[ . 1 . 2]" 1
920 1 48 ILE H 1 51 ALA MB . . 7.300 4.345 4.039 4.797 . 0 0 "[ . 1 . 2]" 1
921 1 48 ILE H 1 64 PHE QE . . 8.500 5.990 5.130 6.482 . 0 0 "[ . 1 . 2]" 1
922 1 48 ILE H 1 64 PHE HZ . . 6.500 5.972 5.546 6.501 0.001 6 0 "[ . 1 . 2]" 1
923 1 48 ILE HA 1 48 ILE MD . . 4.400 3.495 2.264 3.813 . 0 0 "[ . 1 . 2]" 1
924 1 48 ILE HA 1 48 ILE QG . . 3.900 2.191 2.059 2.314 . 0 0 "[ . 1 . 2]" 1
925 1 48 ILE HA 1 48 ILE MG . . 3.600 2.798 2.485 3.067 . 0 0 "[ . 1 . 2]" 1
926 1 48 ILE HA 1 49 ARG H . . 4.400 3.571 3.497 3.608 . 0 0 "[ . 1 . 2]" 1
927 1 48 ILE HA 1 51 ALA H . . 4.500 3.564 3.210 4.520 0.020 14 0 "[ . 1 . 2]" 1
928 1 48 ILE HA 1 51 ALA MB . . 3.800 2.461 2.048 3.193 . 0 0 "[ . 1 . 2]" 1
929 1 48 ILE HA 1 64 PHE QD . . 8.500 6.919 5.694 7.544 . 0 0 "[ . 1 . 2]" 1
930 1 48 ILE HA 1 64 PHE QE . . 8.500 5.353 4.140 6.127 . 0 0 "[ . 1 . 2]" 1
931 1 48 ILE HA 1 64 PHE HZ . . 6.500 6.113 5.577 6.546 0.046 2 0 "[ . 1 . 2]" 1
932 1 48 ILE HB 1 49 ARG H . . 3.800 2.854 2.549 3.329 . 0 0 "[ . 1 . 2]" 1
933 1 48 ILE MD 1 64 PHE QD . . 9.500 8.243 5.304 9.006 . 0 0 "[ . 1 . 2]" 1
934 1 48 ILE MD 1 64 PHE QE . . 9.500 6.858 3.749 7.574 . 0 0 "[ . 1 . 2]" 1
935 1 48 ILE MD 1 64 PHE HZ . . 7.500 7.422 4.934 8.044 0.544 15 1 "[ . 1 + 2]" 1
936 1 48 ILE QG 1 49 ARG H . . 6.500 4.349 4.074 4.625 . 0 0 "[ . 1 . 2]" 1
937 1 48 ILE QG 1 51 ALA H . . 6.500 5.288 4.982 6.128 . 0 0 "[ . 1 . 2]" 1
938 1 48 ILE QG 1 57 GLY HA2 . . 6.500 5.512 4.665 6.489 . 0 0 "[ . 1 . 2]" 1
939 1 48 ILE MG 1 49 ARG H . . 7.500 2.789 2.197 3.349 . 0 0 "[ . 1 . 2]" 1
940 1 48 ILE MG 1 51 ALA H . . 7.500 4.752 4.389 5.378 . 0 0 "[ . 1 . 2]" 1
941 1 48 ILE MG 1 51 ALA MB . . 8.500 4.036 3.541 4.878 . 0 0 "[ . 1 . 2]" 1
942 1 49 ARG H 1 49 ARG HB2 . . 3.200 2.305 2.099 2.582 . 0 0 "[ . 1 . 2]" 1
943 1 49 ARG H 1 49 ARG HB3 . . 3.700 2.804 2.401 3.438 . 0 0 "[ . 1 . 2]" 1
944 1 49 ARG H 1 49 ARG HG2 . . 4.400 4.491 4.234 4.664 0.264 13 0 "[ . 1 . 2]" 1
945 1 49 ARG H 1 50 GLU H . . 4.000 2.753 2.507 2.898 . 0 0 "[ . 1 . 2]" 1
946 1 49 ARG H 1 50 GLU HA . . 5.500 5.385 5.138 5.510 0.010 19 0 "[ . 1 . 2]" 1
947 1 49 ARG HA 1 49 ARG HG2 . . 3.800 2.935 2.279 3.614 . 0 0 "[ . 1 . 2]" 1
948 1 49 ARG HA 1 49 ARG HG3 . . 3.900 2.623 2.224 3.667 . 0 0 "[ . 1 . 2]" 1
949 1 49 ARG HA 1 50 GLU H . . 4.700 3.572 3.441 3.643 . 0 0 "[ . 1 . 2]" 1
950 1 49 ARG HA 1 51 ALA H . . 5.500 4.224 3.843 4.713 . 0 0 "[ . 1 . 2]" 1
951 1 49 ARG HB2 1 50 GLU H . . 5.000 3.741 2.897 4.287 . 0 0 "[ . 1 . 2]" 1
952 1 49 ARG HB3 1 49 ARG HD3 . . 4.100 2.967 2.305 3.950 . 0 0 "[ . 1 . 2]" 1
953 1 49 ARG HB3 1 51 ALA MB . . 7.500 6.144 5.757 6.435 . 0 0 "[ . 1 . 2]" 1
954 1 50 GLU H 1 50 GLU HB2 . . 3.600 2.431 2.078 2.983 . 0 0 "[ . 1 . 2]" 1
955 1 50 GLU H 1 50 GLU HB3 . . 4.400 3.271 2.212 3.637 . 0 0 "[ . 1 . 2]" 1
956 1 50 GLU H 1 50 GLU HG2 . . 5.500 3.753 2.137 4.617 . 0 0 "[ . 1 . 2]" 1
957 1 50 GLU H 1 50 GLU HG3 . . 5.300 3.519 2.199 4.667 . 0 0 "[ . 1 . 2]" 1
958 1 50 GLU H 1 51 ALA H . . 3.500 2.560 1.995 3.502 0.002 14 0 "[ . 1 . 2]" 1
959 1 50 GLU H 1 51 ALA MB . . 6.600 4.185 3.752 4.945 . 0 0 "[ . 1 . 2]" 1
960 1 50 GLU HA 1 51 ALA H . . 4.400 3.460 2.622 3.564 . 0 0 "[ . 1 . 2]" 1
961 1 50 GLU HA 1 52 ASP H . . 4.000 3.752 3.365 4.054 0.054 9 0 "[ . 1 . 2]" 1
962 1 50 GLU HB2 1 51 ALA H . . 4.300 3.387 2.719 4.512 0.212 14 0 "[ . 1 . 2]" 1
963 1 50 GLU HB3 1 51 ALA H . . 5.500 3.548 2.414 4.413 . 0 0 "[ . 1 . 2]" 1
964 1 51 ALA H 1 51 ALA MB . . 3.400 2.215 2.096 2.503 . 0 0 "[ . 1 . 2]" 1
965 1 51 ALA H 1 52 ASP H . . 4.500 3.468 1.995 3.836 . 0 0 "[ . 1 . 2]" 1
966 1 51 ALA HA 1 52 ASP H . . 3.800 2.749 2.550 3.550 . 0 0 "[ . 1 . 2]" 1
967 1 51 ALA HA 1 64 PHE QD . . 8.500 4.092 2.906 5.191 . 0 0 "[ . 1 . 2]" 1
968 1 51 ALA HA 1 64 PHE QE . . 8.500 4.082 2.686 5.481 . 0 0 "[ . 1 . 2]" 1
969 1 51 ALA MB 1 52 ASP H . . 4.900 3.728 2.761 3.819 . 0 0 "[ . 1 . 2]" 1
970 1 51 ALA MB 1 52 ASP HA . . 5.100 4.269 4.235 4.301 . 0 0 "[ . 1 . 2]" 1
971 1 51 ALA MB 1 53 VAL H . . 6.600 4.363 3.014 5.167 . 0 0 "[ . 1 . 2]" 1
972 1 51 ALA MB 1 53 VAL QG . . 9.900 4.307 2.319 4.946 . 0 0 "[ . 1 . 2]" 1
973 1 51 ALA MB 1 59 VAL MG1 . . 8.500 2.545 1.704 3.410 . 0 0 "[ . 1 . 2]" 1
974 1 51 ALA MB 1 59 VAL MG2 . . 8.500 2.315 1.818 3.540 . 0 0 "[ . 1 . 2]" 1
975 1 51 ALA MB 1 64 PHE HB2 . . 7.500 4.945 3.967 5.731 . 0 0 "[ . 1 . 2]" 1
976 1 51 ALA MB 1 64 PHE QD . . 9.500 3.534 2.450 4.587 . 0 0 "[ . 1 . 2]" 1
977 1 51 ALA MB 1 64 PHE QE . . 9.500 2.781 2.041 4.016 . 0 0 "[ . 1 . 2]" 1
978 1 51 ALA MB 1 64 PHE HZ . . 7.500 3.965 2.817 4.687 . 0 0 "[ . 1 . 2]" 1
979 1 52 ASP H 1 52 ASP HB2 . . 3.700 3.245 2.422 3.735 0.035 4 0 "[ . 1 . 2]" 1
980 1 52 ASP H 1 52 ASP HB3 . . 4.000 3.017 2.610 3.948 . 0 0 "[ . 1 . 2]" 1
981 1 52 ASP H 1 53 VAL H . . 4.700 3.278 2.159 4.155 . 0 0 "[ . 1 . 2]" 1
982 1 52 ASP H 1 56 ASP H . . 6.500 6.243 5.675 6.554 0.054 20 0 "[ . 1 . 2]" 1
983 1 52 ASP H 1 67 MET QG . . 6.500 6.114 4.969 6.601 0.101 10 0 "[ . 1 . 2]" 1
984 1 52 ASP HA 1 53 VAL H . . 3.200 2.545 2.141 3.221 0.021 18 0 "[ . 1 . 2]" 1
985 1 52 ASP HA 1 56 ASP HB3 . . 6.100 5.855 5.118 6.461 0.361 9 0 "[ . 1 . 2]" 1
986 1 52 ASP HB2 1 53 VAL H . . 4.500 4.534 4.372 4.652 0.152 13 0 "[ . 1 . 2]" 1
987 1 52 ASP HB3 1 53 VAL H . . 4.700 4.510 4.299 4.710 0.010 4 0 "[ . 1 . 2]" 1
988 1 53 VAL H 1 53 VAL HB . . 3.600 2.412 2.092 2.816 . 0 0 "[ . 1 . 2]" 1
989 1 53 VAL H 1 54 ASP H . . 4.700 2.661 2.188 3.488 . 0 0 "[ . 1 . 2]" 1
990 1 53 VAL HA 1 54 ASP H . . 3.900 3.582 3.435 3.681 . 0 0 "[ . 1 . 2]" 1
991 1 53 VAL HA 1 59 VAL HA . . 5.100 4.675 4.122 5.105 0.005 18 0 "[ . 1 . 2]" 1
992 1 53 VAL HA 1 59 VAL MG1 . . 7.500 5.135 4.120 6.416 . 0 0 "[ . 1 . 2]" 1
993 1 53 VAL HA 1 59 VAL MG2 . . 7.500 5.444 4.192 6.452 . 0 0 "[ . 1 . 2]" 1
994 1 53 VAL HA 1 60 ASN H . . 5.900 5.420 4.325 5.896 . 0 0 "[ . 1 . 2]" 1
995 1 53 VAL HB 1 54 ASP H . . 3.700 2.663 2.106 2.975 . 0 0 "[ . 1 . 2]" 1
996 1 53 VAL HB 1 59 VAL HB . . 6.500 4.835 3.872 5.435 . 0 0 "[ . 1 . 2]" 1
997 1 53 VAL QG 1 54 ASP H . . 8.900 2.987 2.487 3.218 . 0 0 "[ . 1 . 2]" 1
998 1 53 VAL QG 1 58 ARG H . . 8.900 4.917 4.375 5.689 . 0 0 "[ . 1 . 2]" 1
999 1 53 VAL QG 1 58 ARG HD2 . . 8.900 6.174 4.164 6.643 . 0 0 "[ . 1 . 2]" 1
1000 1 53 VAL QG 1 58 ARG HD3 . . 8.900 5.992 5.018 6.627 . 0 0 "[ . 1 . 2]" 1
1001 1 53 VAL QG 1 59 VAL H . . 8.900 4.444 3.641 4.952 . 0 0 "[ . 1 . 2]" 1
1002 1 53 VAL QG 1 59 VAL HA . . 8.900 2.329 1.997 2.886 . 0 0 "[ . 1 . 2]" 1
1003 1 53 VAL QG 1 59 VAL HB . . 8.900 3.881 2.589 4.460 . 0 0 "[ . 1 . 2]" 1
1004 1 53 VAL QG 1 59 VAL MG1 . . 9.900 2.649 1.929 3.835 . 0 0 "[ . 1 . 2]" 1
1005 1 54 ASP H 1 54 ASP HB2 . . 3.900 2.448 2.272 2.707 . 0 0 "[ . 1 . 2]" 1
1006 1 54 ASP H 1 54 ASP HB3 . . 3.600 3.182 2.305 3.689 0.089 20 0 "[ . 1 . 2]" 1
1007 1 54 ASP H 1 55 GLN H . . 4.400 3.251 2.640 4.440 0.040 6 0 "[ . 1 . 2]" 1
1008 1 54 ASP H 1 58 ARG HA . . 5.100 5.051 4.506 5.165 0.065 13 0 "[ . 1 . 2]" 1
1009 1 54 ASP H 1 58 ARG QB . . 6.500 2.866 2.102 3.561 . 0 0 "[ . 1 . 2]" 1
1010 1 54 ASP H 1 59 VAL HA . . 5.300 4.218 3.301 4.699 . 0 0 "[ . 1 . 2]" 1
1011 1 54 ASP HA 1 55 GLN H . . 3.900 3.405 2.362 3.598 . 0 0 "[ . 1 . 2]" 1
1012 1 54 ASP HA 1 55 GLN HA . . 5.900 4.882 4.480 5.271 . 0 0 "[ . 1 . 2]" 1
1013 1 54 ASP HA 1 55 GLN QG . . 7.500 5.045 3.532 6.222 . 0 0 "[ . 1 . 2]" 1
1014 1 54 ASP HA 1 56 ASP H . . 6.500 5.435 4.317 6.172 . 0 0 "[ . 1 . 2]" 1
1015 1 54 ASP HA 1 58 ARG H . . 6.500 6.017 5.517 6.548 0.048 12 0 "[ . 1 . 2]" 1
1016 1 54 ASP HB2 1 55 GLN H . . 3.500 2.823 1.987 3.804 0.304 20 0 "[ . 1 . 2]" 1
1017 1 54 ASP HB3 1 55 GLN H . . 3.900 2.308 1.980 2.950 . 0 0 "[ . 1 . 2]" 1
1018 1 55 GLN H 1 55 GLN HB2 . . 4.100 3.448 2.201 4.106 0.006 8 0 "[ . 1 . 2]" 1
1019 1 55 GLN H 1 55 GLN HB3 . . 4.000 3.638 3.105 4.170 0.170 9 0 "[ . 1 . 2]" 1
1020 1 55 GLN H 1 56 ASP H . . 4.100 2.546 2.034 3.739 . 0 0 "[ . 1 . 2]" 1
1021 1 55 GLN HA 1 55 GLN HB3 . . 3.000 2.790 2.398 3.066 0.066 10 0 "[ . 1 . 2]" 1
1022 1 55 GLN HA 1 56 ASP H . . 4.100 2.669 2.306 3.618 . 0 0 "[ . 1 . 2]" 1
1023 1 55 GLN HB2 1 56 ASP H . . 5.300 4.477 3.487 4.731 . 0 0 "[ . 1 . 2]" 1
1024 1 55 GLN HB3 1 56 ASP H . . 5.900 4.221 2.373 4.779 . 0 0 "[ . 1 . 2]" 1
1025 1 55 GLN QG 1 56 ASP H . . 7.500 4.289 3.910 4.824 . 0 0 "[ . 1 . 2]" 1
1026 1 56 ASP H 1 56 ASP HB3 . . 3.500 3.426 2.887 4.011 0.511 12 1 "[ . 1 + . 2]" 1
1027 1 56 ASP HB3 1 58 ARG QB . . 6.500 4.539 3.195 6.312 . 0 0 "[ . 1 . 2]" 1
1028 1 56 ASP HB3 1 58 ARG QG . . 6.500 4.180 2.292 5.766 . 0 0 "[ . 1 . 2]" 1
1029 1 57 GLY HA2 1 58 ARG H . . 5.100 2.726 2.372 3.319 . 0 0 "[ . 1 . 2]" 1
1030 1 57 GLY HA3 1 58 ARG H . . 4.700 3.566 3.455 3.641 . 0 0 "[ . 1 . 2]" 1
1031 1 58 ARG H 1 58 ARG QB . . 3.900 2.543 2.234 2.998 . 0 0 "[ . 1 . 2]" 1
1032 1 58 ARG H 1 58 ARG QG . . 4.700 3.499 2.760 4.206 . 0 0 "[ . 1 . 2]" 1
1033 1 58 ARG HA 1 59 VAL H . . 3.000 2.239 2.045 2.512 . 0 0 "[ . 1 . 2]" 1
1034 1 58 ARG HA 1 59 VAL MG1 . . 7.500 4.573 3.348 5.452 . 0 0 "[ . 1 . 2]" 1
1035 1 58 ARG HA 1 59 VAL MG2 . . 7.500 3.713 2.180 5.528 . 0 0 "[ . 1 . 2]" 1
1036 1 58 ARG QB 1 59 VAL H . . 3.800 3.076 2.374 3.764 . 0 0 "[ . 1 . 2]" 1
1037 1 58 ARG QG 1 59 VAL H . . 6.500 4.074 3.577 4.459 . 0 0 "[ . 1 . 2]" 1
1038 1 59 VAL H 1 59 VAL HB . . 3.500 3.160 2.502 3.658 0.158 4 0 "[ . 1 . 2]" 1
1039 1 59 VAL H 1 59 VAL MG1 . . 4.100 3.368 2.247 3.950 . 0 0 "[ . 1 . 2]" 1
1040 1 59 VAL H 1 59 VAL MG2 . . 4.700 2.765 1.916 3.984 . 0 0 "[ . 1 . 2]" 1
1041 1 59 VAL HA 1 60 ASN H . . 3.900 2.243 2.115 2.515 . 0 0 "[ . 1 . 2]" 1
1042 1 59 VAL HA 1 60 ASN HB2 . . 5.500 4.464 4.189 5.023 . 0 0 "[ . 1 . 2]" 1
1043 1 59 VAL HA 1 60 ASN HB3 . . 6.000 5.178 4.426 5.746 . 0 0 "[ . 1 . 2]" 1
1044 1 59 VAL HB 1 60 ASN H . . 4.900 3.865 2.849 4.382 . 0 0 "[ . 1 . 2]" 1
1045 1 59 VAL HB 1 64 PHE QD . . 8.500 3.302 2.255 4.543 . 0 0 "[ . 1 . 2]" 1
1046 1 59 VAL HB 1 64 PHE QE . . 8.500 4.734 4.140 5.402 . 0 0 "[ . 1 . 2]" 1
1047 1 59 VAL HB 1 64 PHE HZ . . 6.500 6.528 6.438 6.619 0.119 2 0 "[ . 1 . 2]" 1
1048 1 59 VAL MG1 1 60 ASN H . . 7.500 3.139 2.425 4.248 . 0 0 "[ . 1 . 2]" 1
1049 1 59 VAL MG1 1 61 TYR HA . . 7.500 4.483 2.715 6.105 . 0 0 "[ . 1 . 2]" 1
1050 1 59 VAL MG1 1 64 PHE H . . 7.500 3.870 2.803 5.246 . 0 0 "[ . 1 . 2]" 1
1051 1 59 VAL MG1 1 64 PHE HB2 . . 7.500 2.461 1.977 3.504 . 0 0 "[ . 1 . 2]" 1
1052 1 59 VAL MG1 1 64 PHE QD . . 9.500 2.236 2.030 2.885 . 0 0 "[ . 1 . 2]" 1
1053 1 59 VAL MG1 1 64 PHE QE . . 9.500 3.374 2.508 3.963 . 0 0 "[ . 1 . 2]" 1
1054 1 59 VAL MG2 1 60 ASN H . . 7.500 3.779 1.997 4.593 . 0 0 "[ . 1 . 2]" 1
1055 1 59 VAL MG2 1 61 TYR H . . 7.500 5.605 4.492 6.668 . 0 0 "[ . 1 . 2]" 1
1056 1 59 VAL MG2 1 61 TYR HA . . 7.500 5.074 3.833 6.147 . 0 0 "[ . 1 . 2]" 1
1057 1 59 VAL MG2 1 64 PHE H . . 7.500 5.016 3.059 6.296 . 0 0 "[ . 1 . 2]" 1
1058 1 59 VAL MG2 1 64 PHE HB2 . . 7.500 3.456 1.999 5.017 . 0 0 "[ . 1 . 2]" 1
1059 1 59 VAL MG2 1 64 PHE HB3 . . 7.500 4.597 3.431 6.054 . 0 0 "[ . 1 . 2]" 1
1060 1 59 VAL MG2 1 64 PHE QD . . 9.500 2.995 2.060 4.137 . 0 0 "[ . 1 . 2]" 1
1061 1 59 VAL MG2 1 64 PHE QE . . 9.500 3.682 2.703 4.751 . 0 0 "[ . 1 . 2]" 1
1062 1 60 ASN H 1 60 ASN HB2 . . 3.300 2.395 2.131 2.935 . 0 0 "[ . 1 . 2]" 1
1063 1 60 ASN H 1 60 ASN HB3 . . 3.400 2.991 2.168 3.466 0.066 11 0 "[ . 1 . 2]" 1
1064 1 60 ASN H 1 61 TYR H . . 6.000 4.470 4.184 4.715 . 0 0 "[ . 1 . 2]" 1
1065 1 60 ASN H 1 63 GLU HB2 . . 5.700 4.713 3.714 5.571 . 0 0 "[ . 1 . 2]" 1
1066 1 60 ASN H 1 63 GLU HB3 . . 4.900 3.857 3.014 4.801 . 0 0 "[ . 1 . 2]" 1
1067 1 60 ASN HA 1 61 TYR H . . 3.100 2.205 2.112 2.374 . 0 0 "[ . 1 . 2]" 1
1068 1 60 ASN HA 1 61 TYR QB . . 4.800 4.118 3.870 4.890 0.090 4 0 "[ . 1 . 2]" 1
1069 1 60 ASN HB2 1 63 GLU H . . 5.600 4.249 3.594 5.139 . 0 0 "[ . 1 . 2]" 1
1070 1 60 ASN HB2 1 63 GLU HB2 . . 6.500 3.379 2.368 4.371 . 0 0 "[ . 1 . 2]" 1
1071 1 60 ASN HB3 1 61 TYR H . . 5.400 3.840 3.150 4.492 . 0 0 "[ . 1 . 2]" 1
1072 1 60 ASN HB3 1 63 GLU H . . 5.800 2.940 2.536 3.756 . 0 0 "[ . 1 . 2]" 1
1073 1 60 ASN HD21 1 63 GLU HB2 . . 6.500 3.603 2.197 5.363 . 0 0 "[ . 1 . 2]" 1
1074 1 60 ASN HD21 1 63 GLU HB3 . . 6.500 4.367 3.103 5.462 . 0 0 "[ . 1 . 2]" 1
1075 1 60 ASN HD21 1 63 GLU QG . . 6.500 4.568 3.296 5.943 . 0 0 "[ . 1 . 2]" 1
1076 1 60 ASN HD22 1 63 GLU QG . . 6.500 5.509 4.286 6.919 0.419 4 0 "[ . 1 . 2]" 1
1077 1 61 TYR H 1 61 TYR QB . . 3.900 2.160 1.979 2.815 . 0 0 "[ . 1 . 2]" 1
1078 1 61 TYR H 1 61 TYR QE . . 6.700 5.504 3.460 6.032 . 0 0 "[ . 1 . 2]" 1
1079 1 61 TYR H 1 62 GLU H . . 3.700 3.094 2.850 3.524 . 0 0 "[ . 1 . 2]" 1
1080 1 61 TYR HA 1 62 GLU H . . 5.500 3.596 3.538 3.637 . 0 0 "[ . 1 . 2]" 1
1081 1 61 TYR HA 1 64 PHE HB2 . . 5.900 3.846 3.343 4.415 . 0 0 "[ . 1 . 2]" 1
1082 1 61 TYR HA 1 64 PHE HB3 . . 3.600 3.448 2.819 4.426 0.826 12 1 "[ . 1 + . 2]" 1
1083 1 61 TYR QB 1 62 GLU H . . 5.100 2.836 2.127 3.503 . 0 0 "[ . 1 . 2]" 1
1084 1 61 TYR QD 1 62 GLU H . . 8.500 2.755 2.109 4.181 . 0 0 "[ . 1 . 2]" 1
1085 1 61 TYR QD 1 62 GLU HA . . 8.500 3.960 2.580 5.604 . 0 0 "[ . 1 . 2]" 1
1086 1 61 TYR QD 1 65 ALA MB . . 9.500 4.935 3.886 5.944 . 0 0 "[ . 1 . 2]" 1
1087 1 61 TYR QE 1 62 GLU H . . 8.500 4.452 3.641 6.275 . 0 0 "[ . 1 . 2]" 1
1088 1 61 TYR QE 1 62 GLU HA . . 8.500 4.420 3.131 7.646 . 0 0 "[ . 1 . 2]" 1
1089 1 61 TYR QE 1 65 ALA MB . . 9.500 5.035 3.763 7.110 . 0 0 "[ . 1 . 2]" 1
1090 1 62 GLU H 1 62 GLU HB2 . . 3.200 2.412 2.140 2.600 . 0 0 "[ . 1 . 2]" 1
1091 1 62 GLU H 1 62 GLU HB3 . . 3.100 2.687 2.480 3.140 0.040 20 0 "[ . 1 . 2]" 1
1092 1 62 GLU H 1 63 GLU H . . 3.300 2.687 2.467 2.893 . 0 0 "[ . 1 . 2]" 1
1093 1 62 GLU HA 1 63 GLU H . . 4.200 3.573 3.529 3.626 . 0 0 "[ . 1 . 2]" 1
1094 1 62 GLU HA 1 65 ALA H . . 4.800 3.494 3.087 3.804 . 0 0 "[ . 1 . 2]" 1
1095 1 62 GLU HA 1 65 ALA MB . . 4.400 2.984 2.343 3.685 . 0 0 "[ . 1 . 2]" 1
1096 1 62 GLU HB2 1 63 GLU H . . 3.800 3.647 3.272 3.806 0.006 3 0 "[ . 1 . 2]" 1
1097 1 62 GLU HB3 1 63 GLU H . . 3.400 2.440 2.068 3.103 . 0 0 "[ . 1 . 2]" 1
1098 1 63 GLU H 1 63 GLU HB2 . . 2.900 2.193 1.985 2.377 . 0 0 "[ . 1 . 2]" 1
1099 1 63 GLU H 1 63 GLU HB3 . . 3.500 3.011 2.762 3.542 0.042 12 0 "[ . 1 . 2]" 1
1100 1 63 GLU H 1 63 GLU QG . . 4.600 3.731 2.337 4.085 . 0 0 "[ . 1 . 2]" 1
1101 1 63 GLU H 1 64 PHE H . . 3.300 2.890 2.712 3.064 . 0 0 "[ . 1 . 2]" 1
1102 1 63 GLU HA 1 63 GLU HB2 . . 2.900 2.693 2.532 3.045 0.145 2 0 "[ . 1 . 2]" 1
1103 1 63 GLU HA 1 64 PHE H . . 4.700 3.591 3.557 3.644 . 0 0 "[ . 1 . 2]" 1
1104 1 63 GLU HA 1 66 ARG HB3 . . 4.700 3.421 2.632 4.403 . 0 0 "[ . 1 . 2]" 1
1105 1 63 GLU HB2 1 64 PHE H . . 3.900 3.565 2.586 3.914 0.014 6 0 "[ . 1 . 2]" 1
1106 1 63 GLU HB3 1 64 PHE H . . 3.600 2.806 2.457 3.485 . 0 0 "[ . 1 . 2]" 1
1107 1 63 GLU QG 1 64 PHE H . . 6.500 4.312 3.888 4.645 . 0 0 "[ . 1 . 2]" 1
1108 1 63 GLU QG 1 66 ARG QG . . 7.500 4.865 3.868 5.704 . 0 0 "[ . 1 . 2]" 1
1109 1 64 PHE H 1 64 PHE HB2 . . 3.100 2.435 2.308 2.606 . 0 0 "[ . 1 . 2]" 1
1110 1 64 PHE H 1 64 PHE HB3 . . 3.600 2.658 2.464 2.876 . 0 0 "[ . 1 . 2]" 1
1111 1 64 PHE H 1 65 ALA H . . 3.600 2.904 2.696 3.162 . 0 0 "[ . 1 . 2]" 1
1112 1 64 PHE H 1 65 ALA MB . . 5.600 4.472 4.228 4.653 . 0 0 "[ . 1 . 2]" 1
1113 1 64 PHE HA 1 64 PHE HB3 . . 3.100 3.042 3.029 3.058 . 0 0 "[ . 1 . 2]" 1
1114 1 64 PHE HA 1 64 PHE QE . . 5.900 4.537 4.292 4.814 . 0 0 "[ . 1 . 2]" 1
1115 1 64 PHE HA 1 65 ALA H . . 4.600 3.560 3.508 3.593 . 0 0 "[ . 1 . 2]" 1
1116 1 64 PHE HA 1 65 ALA MB . . 5.900 4.969 4.947 4.986 . 0 0 "[ . 1 . 2]" 1
1117 1 64 PHE HA 1 67 MET H . . 4.300 3.228 2.795 3.599 . 0 0 "[ . 1 . 2]" 1
1118 1 64 PHE HA 1 67 MET QB . . 5.200 3.099 2.297 4.638 . 0 0 "[ . 1 . 2]" 1
1119 1 64 PHE HB2 1 65 ALA H . . 4.000 3.799 3.600 4.019 0.019 11 0 "[ . 1 . 2]" 1
1120 1 64 PHE HB3 1 65 ALA H . . 3.400 2.505 2.180 2.887 . 0 0 "[ . 1 . 2]" 1
1121 1 64 PHE QD 1 65 ALA H . . 8.500 3.604 3.011 4.551 . 0 0 "[ . 1 . 2]" 1
1122 1 64 PHE QD 1 65 ALA HA . . 8.500 3.255 2.439 4.931 . 0 0 "[ . 1 . 2]" 1
1123 1 64 PHE QD 1 66 ARG HB3 . . 8.500 6.567 6.162 7.080 . 0 0 "[ . 1 . 2]" 1
1124 1 64 PHE QD 1 68 LEU MD1 . . 9.500 4.874 2.659 6.113 . 0 0 "[ . 1 . 2]" 1
1125 1 64 PHE QD 1 68 LEU MD2 . . 9.500 4.510 3.353 6.381 . 0 0 "[ . 1 . 2]" 1
1126 1 64 PHE QD 1 68 LEU HG . . 8.500 5.218 3.722 6.269 . 0 0 "[ . 1 . 2]" 1
1127 1 64 PHE QE 1 65 ALA H . . 8.500 5.620 5.208 6.028 . 0 0 "[ . 1 . 2]" 1
1128 1 64 PHE QE 1 65 ALA HA . . 8.500 4.564 3.659 5.468 . 0 0 "[ . 1 . 2]" 1
1129 1 64 PHE QE 1 66 ARG HB3 . . 8.500 8.041 7.595 8.441 . 0 0 "[ . 1 . 2]" 1
1130 1 64 PHE QE 1 68 LEU MD1 . . 9.500 3.758 2.123 5.471 . 0 0 "[ . 1 . 2]" 1
1131 1 64 PHE QE 1 68 LEU MD2 . . 9.500 3.894 2.529 5.108 . 0 0 "[ . 1 . 2]" 1
1132 1 64 PHE QE 1 68 LEU HG . . 8.500 4.322 2.136 5.902 . 0 0 "[ . 1 . 2]" 1
1133 1 64 PHE HZ 1 65 ALA HA . . 6.500 6.388 5.697 6.557 0.057 9 0 "[ . 1 . 2]" 1
1134 1 64 PHE HZ 1 68 LEU MD1 . . 7.500 4.732 2.727 6.136 . 0 0 "[ . 1 . 2]" 1
1135 1 64 PHE HZ 1 68 LEU MD2 . . 7.500 5.089 3.217 6.167 . 0 0 "[ . 1 . 2]" 1
1136 1 65 ALA H 1 65 ALA MB . . 3.400 2.153 2.111 2.215 . 0 0 "[ . 1 . 2]" 1
1137 1 65 ALA H 1 66 ARG H . . 3.500 2.705 2.524 2.834 . 0 0 "[ . 1 . 2]" 1
1138 1 65 ALA H 1 67 MET H . . 6.500 4.290 4.054 4.651 . 0 0 "[ . 1 . 2]" 1
1139 1 65 ALA HA 1 66 ARG H . . 5.200 3.539 3.434 3.616 . 0 0 "[ . 1 . 2]" 1
1140 1 65 ALA HA 1 68 LEU HB2 . . 3.700 3.286 2.128 3.719 0.019 13 0 "[ . 1 . 2]" 1
1141 1 65 ALA HA 1 68 LEU HB3 . . 3.700 2.975 2.078 3.761 0.061 2 0 "[ . 1 . 2]" 1
1142 1 65 ALA MB 1 66 ARG H . . 3.600 2.658 2.330 3.025 . 0 0 "[ . 1 . 2]" 1
1143 1 65 ALA MB 1 66 ARG HA . . 5.300 4.029 3.819 4.284 . 0 0 "[ . 1 . 2]" 1
1144 1 65 ALA MB 1 67 MET H . . 6.800 4.691 4.407 5.114 . 0 0 "[ . 1 . 2]" 1
1145 1 66 ARG H 1 66 ARG HB2 . . 3.200 2.234 2.056 2.519 . 0 0 "[ . 1 . 2]" 1
1146 1 66 ARG H 1 66 ARG HB3 . . 3.700 2.821 2.537 3.138 . 0 0 "[ . 1 . 2]" 1
1147 1 66 ARG H 1 67 MET H . . 3.400 2.766 2.503 3.100 . 0 0 "[ . 1 . 2]" 1
1148 1 66 ARG H 1 68 LEU H . . 6.000 4.236 3.892 4.565 . 0 0 "[ . 1 . 2]" 1
1149 1 66 ARG HA 1 66 ARG HB2 . . 3.000 2.648 2.507 2.832 . 0 0 "[ . 1 . 2]" 1
1150 1 66 ARG HA 1 67 MET H . . 4.100 3.617 3.531 3.692 . 0 0 "[ . 1 . 2]" 1
1151 1 66 ARG HA 1 69 ALA MB . . 4.700 3.157 2.418 3.947 . 0 0 "[ . 1 . 2]" 1
1152 1 66 ARG HB2 1 67 MET H . . 3.400 3.613 3.132 3.968 0.568 20 2 "[ . 1 - . +]" 1
1153 1 66 ARG HB3 1 67 MET H . . 4.800 2.571 2.167 3.052 . 0 0 "[ . 1 . 2]" 1
1154 1 66 ARG HB3 1 67 MET QG . . 6.500 3.738 2.717 5.721 . 0 0 "[ . 1 . 2]" 1
1155 1 66 ARG QG 1 67 MET H . . 7.500 4.093 3.412 4.729 . 0 0 "[ . 1 . 2]" 1
1156 1 66 ARG QG 1 67 MET HA . . 7.500 4.469 3.572 5.609 . 0 0 "[ . 1 . 2]" 1
1157 1 67 MET H 1 67 MET QB . . 3.900 2.519 2.202 2.694 . 0 0 "[ . 1 . 2]" 1
1158 1 67 MET H 1 67 MET QG . . 4.100 2.668 2.115 3.909 . 0 0 "[ . 1 . 2]" 1
1159 1 67 MET H 1 68 LEU H . . 3.800 2.779 2.249 3.204 . 0 0 "[ . 1 . 2]" 1
1160 1 67 MET HA 1 67 MET QG . . 3.900 2.767 2.286 3.483 . 0 0 "[ . 1 . 2]" 1
1161 1 67 MET HA 1 68 LEU H . . 4.300 3.630 3.476 3.761 . 0 0 "[ . 1 . 2]" 1
1162 1 67 MET QB 1 68 LEU H . . 5.200 2.932 2.405 3.850 . 0 0 "[ . 1 . 2]" 1
1163 1 67 MET QB 1 68 LEU HA . . 7.300 4.210 3.671 5.044 . 0 0 "[ . 1 . 2]" 1
1164 1 67 MET QB 1 70 GLN HA . . 5.400 4.833 4.417 4.881 . 0 0 "[ . 1 . 2]" 1
1165 1 67 MET QG 1 68 LEU H . . 6.500 4.083 2.792 4.970 . 0 0 "[ . 1 . 2]" 1
1166 1 68 LEU H 1 68 LEU HB2 . . 3.100 2.560 2.028 3.461 0.361 13 0 "[ . 1 . 2]" 1
1167 1 68 LEU H 1 68 LEU HB3 . . 3.700 2.635 2.038 3.346 . 0 0 "[ . 1 . 2]" 1
1168 1 68 LEU H 1 68 LEU MD1 . . 5.000 4.192 3.696 4.264 . 0 0 "[ . 1 . 2]" 1
1169 1 68 LEU H 1 68 LEU MD2 . . 5.000 3.790 2.824 4.225 . 0 0 "[ . 1 . 2]" 1
1170 1 68 LEU H 1 68 LEU HG . . 4.000 3.891 3.326 4.138 0.138 11 0 "[ . 1 . 2]" 1
1171 1 68 LEU HA 1 68 LEU MD1 . . 4.600 2.942 2.227 3.744 . 0 0 "[ . 1 . 2]" 1
1172 1 68 LEU HA 1 68 LEU MD2 . . 3.500 2.935 1.910 3.916 0.416 13 0 "[ . 1 . 2]" 1
1173 1 68 LEU HA 1 68 LEU HG . . 4.100 3.211 2.269 3.807 . 0 0 "[ . 1 . 2]" 1
1174 1 68 LEU HA 1 69 ALA H . . 4.400 3.481 2.633 3.669 . 0 0 "[ . 1 . 2]" 1
1175 1 68 LEU HB2 1 69 ALA H . . 3.900 3.821 3.164 3.992 0.092 13 0 "[ . 1 . 2]" 1
1176 1 68 LEU HB3 1 69 ALA H . . 3.800 3.125 2.565 3.942 0.142 15 0 "[ . 1 . 2]" 1
1177 1 68 LEU MD1 1 69 ALA H . . 7.500 3.980 1.766 4.934 . 0 0 "[ . 1 . 2]" 1
1178 1 68 LEU MD2 1 69 ALA H . . 7.500 3.877 3.284 4.615 . 0 0 "[ . 1 . 2]" 1
1179 1 69 ALA H 1 69 ALA MB . . 3.400 2.259 2.099 2.731 . 0 0 "[ . 1 . 2]" 1
1180 1 69 ALA H 1 70 GLN H . . 3.800 2.964 2.287 3.552 . 0 0 "[ . 1 . 2]" 1
1181 1 69 ALA HA 1 70 GLN H . . 3.800 3.165 2.195 3.637 . 0 0 "[ . 1 . 2]" 1
1182 1 69 ALA MB 1 70 GLN H . . 4.000 2.822 2.018 3.501 . 0 0 "[ . 1 . 2]" 1
1183 1 69 ALA MB 1 70 GLN HA . . 5.700 4.251 3.917 4.813 . 0 0 "[ . 1 . 2]" 1
1184 1 69 ALA MB 1 70 GLN QG . . 8.500 4.991 2.193 5.763 . 0 0 "[ . 1 . 2]" 1
1185 1 69 ALA MB 1 71 GLU H . . 5.900 3.535 2.745 4.975 . 0 0 "[ . 1 . 2]" 1
1186 1 69 ALA MB 1 71 GLU QG . . 8.500 4.710 2.244 6.317 . 0 0 "[ . 1 . 2]" 1
1187 1 70 GLN H 1 70 GLN HB2 . . 3.700 3.255 2.380 3.790 0.090 3 0 "[ . 1 . 2]" 1
1188 1 70 GLN H 1 70 GLN HB3 . . 3.400 3.330 2.720 3.710 0.310 10 0 "[ . 1 . 2]" 1
1189 1 70 GLN H 1 71 GLU H . . 3.800 3.236 2.676 3.765 . 0 0 "[ . 1 . 2]" 1
1190 1 70 GLN HA 1 71 GLU H . . 6.500 2.501 2.189 2.811 . 0 0 "[ . 1 . 2]" 1
1191 1 70 GLN HB2 1 71 GLU H . . 4.600 4.559 4.209 4.720 0.120 16 0 "[ . 1 . 2]" 1
1192 1 70 GLN HB3 1 71 GLU QB . . 7.500 5.512 4.325 6.676 . 0 0 "[ . 1 . 2]" 1
1193 1 70 GLN QG 1 71 GLU H . . 7.500 4.035 3.477 4.643 . 0 0 "[ . 1 . 2]" 1
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