NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
648968 |
6k7w   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6k7w
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 819
_Distance_constraint_stats_list.Viol_count 1511
_Distance_constraint_stats_list.Viol_total 2531.146
_Distance_constraint_stats_list.Viol_max 1.943
_Distance_constraint_stats_list.Viol_rms 0.1003
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0309
_Distance_constraint_stats_list.Viol_average_violations_only 0.1675
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 THR 13.160 1.943 8 8 "[ -**.**+**]"
1 2 PRO 17.763 1.943 8 8 "[ -**.**+**]"
1 3 GLU 2.306 0.451 2 0 "[ . 1]"
1 4 LEU 1.237 0.924 8 1 "[ . + 1]"
1 5 ALA 1.605 0.924 8 1 "[ . + 1]"
1 6 LEU 3.630 0.539 6 2 "[ - .+ 1]"
1 7 ASP 1.758 0.244 7 0 "[ . 1]"
1 8 TRP 9.229 0.682 7 1 "[ . + 1]"
1 9 ARG 3.786 0.682 7 2 "[- . + 1]"
1 10 GLN 6.955 0.618 1 2 "[+ - . 1]"
1 11 SER 3.605 0.508 3 1 "[ + . 1]"
1 12 ALA 3.735 0.206 5 0 "[ . 1]"
1 13 GLU 5.083 0.331 3 0 "[ . 1]"
1 14 GLU 6.093 1.510 6 1 "[ .+ 1]"
1 15 VAL 4.494 0.351 7 0 "[ . 1]"
1 16 ILE 2.985 0.337 1 0 "[ . 1]"
1 17 VAL 3.819 0.353 6 0 "[ . 1]"
1 18 LYS 9.055 0.487 6 0 "[ . 1]"
1 19 LEU 4.462 0.315 5 0 "[ . 1]"
1 20 ARG 2.118 0.798 7 1 "[ . + 1]"
1 21 VAL 3.698 0.678 1 1 "[+ . 1]"
1 22 GLY 2.666 0.309 7 0 "[ . 1]"
1 23 VAL 8.168 0.678 1 1 "[+ . 1]"
1 24 GLY 0.000 0.000 . 0 "[ . 1]"
1 25 PRO 1.228 0.233 7 0 "[ . 1]"
1 26 LEU 5.230 0.386 7 0 "[ . 1]"
1 27 GLN 4.808 0.856 10 1 "[ . +]"
1 28 LEU 3.775 1.310 7 1 "[ . + 1]"
1 29 GLU 3.021 1.310 7 2 "[ . + -]"
1 30 ASP 6.142 0.386 7 0 "[ . 1]"
1 31 VAL 0.100 0.060 6 0 "[ . 1]"
1 32 ASP 3.211 0.247 1 0 "[ . 1]"
1 33 ALA 0.836 0.112 2 0 "[ . 1]"
1 34 ALA 2.930 0.276 1 0 "[ . 1]"
1 35 PHE 3.737 0.809 1 2 "[+ .- 1]"
1 36 THR 6.318 0.384 9 0 "[ . 1]"
1 37 ASP 6.385 0.384 9 0 "[ . 1]"
1 38 THR 3.272 0.318 10 0 "[ . 1]"
1 39 ASP 6.976 0.592 6 1 "[ .+ 1]"
1 40 CYS 0.701 0.112 10 0 "[ . 1]"
1 41 VAL 9.730 0.295 6 0 "[ . 1]"
1 42 VAL 16.182 0.330 3 0 "[ . 1]"
1 43 ARG 10.372 0.342 8 0 "[ . 1]"
1 44 PHE 1.616 0.177 10 0 "[ . 1]"
1 45 ALA 1.535 0.199 7 0 "[ . 1]"
1 46 GLY 0.335 0.284 10 0 "[ . 1]"
1 47 GLY 0.075 0.058 10 0 "[ . 1]"
1 48 GLN 5.789 0.327 9 0 "[ . 1]"
1 49 GLN 3.790 0.330 3 0 "[ . 1]"
1 50 TRP 14.395 0.342 8 0 "[ . 1]"
1 51 GLY 3.335 0.325 3 0 "[ . 1]"
1 52 GLY 6.258 0.333 6 0 "[ . 1]"
1 53 VAL 8.290 0.592 6 1 "[ .+ 1]"
1 54 PHE 10.266 0.868 10 1 "[ . +]"
1 55 TYR 11.537 0.829 10 3 "[ * . - +]"
1 56 ALA 9.242 0.868 10 1 "[ . +]"
1 57 GLU 14.695 0.829 10 3 "[ * . - +]"
1 58 ILE 10.297 0.636 6 4 "[ *.+- *1]"
1 59 LYS 5.070 0.292 3 0 "[ . 1]"
1 60 SER 10.627 0.441 6 0 "[ . 1]"
1 61 SER 5.284 0.636 6 1 "[ .+ 1]"
1 62 CYS 3.712 0.292 3 0 "[ . 1]"
1 63 ALA 11.092 0.809 1 4 "[+ .**- 1]"
1 64 LYS 10.853 0.702 8 4 "[ *-. *+ 1]"
1 65 VAL 10.182 0.710 10 5 "[ -** * +]"
1 66 GLN 0.108 0.026 8 0 "[ . 1]"
1 67 THR 2.347 0.294 8 0 "[ . 1]"
1 68 ARG 2.585 0.260 8 0 "[ . 1]"
1 69 LYS 0.781 0.142 9 0 "[ . 1]"
1 70 GLY 0.929 0.120 8 0 "[ . 1]"
1 71 SER 0.929 0.120 8 0 "[ . 1]"
1 72 LEU 0.375 0.199 10 0 "[ . 1]"
1 73 LEU 5.256 0.294 8 0 "[ . 1]"
1 74 HIS 3.962 0.487 6 0 "[ . 1]"
1 75 LEU 7.173 0.710 10 2 "[ - +]"
1 76 THR 2.336 0.192 7 0 "[ . 1]"
1 77 LEU 6.900 1.510 6 1 "[ .+ 1]"
1 79 LYS 0.658 0.201 3 0 "[ . 1]"
1 80 LYS 1.573 0.448 2 0 "[ . 1]"
1 81 VAL 1.969 0.323 10 0 "[ . 1]"
1 82 PRO 5.068 0.463 3 0 "[ . 1]"
1 83 MET 2.999 0.545 6 1 "[ .+ 1]"
1 84 LEU 1.534 0.545 6 1 "[ .+ 1]"
1 85 THR 0.211 0.132 9 0 "[ . 1]"
1 86 TRP 7.840 0.687 4 2 "[ +.- 1]"
1 87 PRO 4.370 0.687 4 2 "[ +.- 1]"
1 88 SER 4.665 0.682 2 3 "[*+ .- 1]"
1 89 LEU 9.275 0.998 2 3 "[ + * -]"
1 90 LEU 5.155 0.529 5 1 "[ + 1]"
1 91 VAL 4.461 0.902 6 1 "[ .+ 1]"
1 92 GLU 2.974 0.902 6 1 "[ .+ 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 THR H1 1 1 THR HB 3.653 . 5.321 3.220 2.490 4.105 . 0 0 "[ . 1]" 1
2 1 1 THR H1 1 2 PRO HA 2.740 . 3.679 4.995 4.109 5.622 1.943 8 8 "[ -**.**+**]" 1
3 1 1 THR HA 1 1 THR HB 2.720 . 3.645 2.995 2.731 3.035 . 0 0 "[ . 1]" 1
4 1 1 THR HB 1 3 GLU QB 4.467 . 6.961 6.502 6.027 6.687 . 0 0 "[ . 1]" 1
5 1 2 PRO HA 1 2 PRO HG2 2.592 . 3.432 3.731 3.628 3.759 0.327 2 0 "[ . 1]" 1
6 1 2 PRO HA 1 3 GLU H 2.718 . 3.641 2.208 2.121 2.304 . 0 0 "[ . 1]" 1
7 1 2 PRO HA 1 3 GLU QB 3.016 . 4.153 4.091 3.909 4.215 0.062 5 0 "[ . 1]" 1
8 1 2 PRO QD 1 6 LEU HA 2.991 . 3.569 3.444 2.766 4.108 0.539 6 2 "[ - .+ 1]" 1
9 1 2 PRO HG2 1 3 GLU HA 3.649 . 5.314 5.120 4.895 5.601 0.287 5 0 "[ . 1]" 1
10 1 2 PRO HG2 1 4 LEU H 3.018 . 4.156 3.372 2.724 3.766 . 0 0 "[ . 1]" 1
11 1 3 GLU H 1 3 GLU HG2 2.968 . 4.069 3.457 1.830 4.520 0.451 2 0 "[ . 1]" 1
12 1 3 GLU H 1 4 LEU H 2.767 . 3.724 3.400 2.289 3.843 0.119 5 0 "[ . 1]" 1
13 1 3 GLU HA 1 3 GLU HG2 2.610 . 3.461 2.935 2.292 3.645 0.184 8 0 "[ . 1]" 1
14 1 3 GLU HA 1 4 LEU H 2.625 . 3.486 2.714 2.428 3.500 0.014 5 0 "[ . 1]" 1
15 1 3 GLU HG2 1 4 LEU H 3.404 . 4.852 4.552 3.262 4.952 0.100 9 0 "[ . 1]" 1
16 1 4 LEU HA 1 4 LEU HB3 2.368 . 3.069 2.766 2.404 3.025 . 0 0 "[ . 1]" 1
17 1 4 LEU HB3 1 5 ALA MB 2.828 . 3.828 3.569 3.320 4.752 0.924 8 1 "[ . + 1]" 1
18 1 5 ALA H 1 5 ALA MB 3.702 . 5.416 2.727 2.157 2.947 . 0 0 "[ . 1]" 1
19 1 5 ALA MB 1 6 LEU H 3.791 . 5.588 2.590 1.751 3.577 0.243 4 0 "[ . 1]" 1
20 1 5 ALA MB 1 8 TRP HD1 5.851 . 10.131 7.979 7.144 8.812 . 0 0 "[ . 1]" 1
21 1 6 LEU H 1 6 LEU HA 2.732 . 3.665 2.946 2.929 2.960 . 0 0 "[ . 1]" 1
22 1 6 LEU H 1 6 LEU HB2 2.564 . 3.386 2.849 2.606 3.508 0.122 5 0 "[ . 1]" 1
23 1 6 LEU HB2 1 7 ASP HA 3.043 . 4.200 4.348 4.177 4.444 0.244 7 0 "[ . 1]" 1
24 1 6 LEU HB3 1 7 ASP H 2.589 . 3.427 3.162 2.813 3.504 0.077 9 0 "[ . 1]" 1
25 1 7 ASP H 1 7 ASP HA 2.283 . 2.934 2.938 2.918 2.957 0.023 8 0 "[ . 1]" 1
26 1 7 ASP H 1 7 ASP HB3 3.013 . 4.148 2.835 2.560 3.771 . 0 0 "[ . 1]" 1
27 1 7 ASP H 1 8 TRP HA 3.725 . 5.459 5.003 4.818 5.116 . 0 0 "[ . 1]" 1
28 1 7 ASP H 1 8 TRP HB2 4.996 . 8.117 6.273 5.957 6.564 . 0 0 "[ . 1]" 1
29 1 7 ASP HA 1 7 ASP HB3 2.544 . 3.353 2.966 2.426 3.034 . 0 0 "[ . 1]" 1
30 1 7 ASP HA 1 8 TRP H 2.652 . 3.531 2.120 2.086 2.176 . 0 0 "[ . 1]" 1
31 1 7 ASP HB3 1 8 TRP H 3.387 . 4.821 4.092 3.344 4.306 . 0 0 "[ . 1]" 1
32 1 7 ASP HB3 1 18 LYS QG 3.372 . 4.793 3.916 2.566 4.840 0.047 4 0 "[ . 1]" 1
33 1 8 TRP H 1 8 TRP HA 2.599 . 3.443 2.934 2.916 2.948 . 0 0 "[ . 1]" 1
34 1 8 TRP H 1 8 TRP HB2 3.805 . 5.614 2.874 2.730 2.983 . 0 0 "[ . 1]" 1
35 1 8 TRP H 1 8 TRP HB3 3.561 . 5.147 3.830 3.778 3.905 . 0 0 "[ . 1]" 1
36 1 8 TRP H 1 8 TRP HD1 2.963 . 4.061 3.910 3.684 4.138 0.077 8 0 "[ . 1]" 1
37 1 8 TRP H 1 16 ILE MD 5.985 . 10.462 8.039 7.723 8.263 . 0 0 "[ . 1]" 1
38 1 8 TRP H 1 16 ILE HG12 5.482 . 9.238 8.700 8.346 9.130 . 0 0 "[ . 1]" 1
39 1 8 TRP H 1 17 VAL HA 3.166 . 4.419 4.683 4.617 4.772 0.353 6 0 "[ . 1]" 1
40 1 8 TRP H 1 17 VAL MG1 5.546 . 9.390 6.959 6.854 7.097 . 0 0 "[ . 1]" 1
41 1 8 TRP H 1 17 VAL MG2 4.380 . 6.778 5.446 5.210 5.696 . 0 0 "[ . 1]" 1
42 1 8 TRP H 1 18 LYS HA 5.200 . 8.580 7.205 7.138 7.332 . 0 0 "[ . 1]" 1
43 1 8 TRP H 1 19 LEU HB2 5.883 . 10.209 9.862 9.630 10.092 . 0 0 "[ . 1]" 1
44 1 8 TRP HA 1 9 ARG H 2.190 . 2.790 2.348 2.217 2.437 . 0 0 "[ . 1]" 1
45 1 8 TRP HA 1 9 ARG HB2 4.304 . 6.620 5.612 5.518 5.712 . 0 0 "[ . 1]" 1
46 1 8 TRP HA 1 17 VAL HA 3.231 . 4.536 2.297 2.221 2.367 . 0 0 "[ . 1]" 1
47 1 8 TRP HA 1 17 VAL MG1 3.757 . 5.522 4.962 4.870 5.064 . 0 0 "[ . 1]" 1
48 1 8 TRP HA 1 18 LYS H 3.533 . 5.093 2.766 2.627 2.899 . 0 0 "[ . 1]" 1
49 1 8 TRP HA 1 18 LYS HA 3.862 . 5.726 5.385 5.201 5.576 . 0 0 "[ . 1]" 1
50 1 8 TRP HB2 1 9 ARG H 3.224 . 4.523 3.313 3.228 3.538 . 0 0 "[ . 1]" 1
51 1 8 TRP HB2 1 9 ARG HA 2.827 . 3.826 3.858 3.738 3.988 0.162 6 0 "[ . 1]" 1
52 1 8 TRP HB2 1 10 GLN H 3.891 . 5.783 5.437 5.160 5.727 . 0 0 "[ . 1]" 1
53 1 8 TRP HB3 1 9 ARG H 3.183 . 4.450 2.559 2.455 2.798 . 0 0 "[ . 1]" 1
54 1 8 TRP HB3 1 10 GLN H 3.737 . 5.483 5.704 5.554 5.818 0.335 6 0 "[ . 1]" 1
55 1 8 TRP HB3 1 16 ILE H 4.043 . 6.086 4.408 4.197 4.561 . 0 0 "[ . 1]" 1
56 1 8 TRP HB3 1 16 ILE MD 4.135 . 6.272 6.000 5.970 6.038 . 0 0 "[ . 1]" 1
57 1 8 TRP HD1 1 9 ARG H 3.201 . 4.482 4.620 4.493 4.701 0.219 5 0 "[ . 1]" 1
58 1 8 TRP HD1 1 9 ARG QD 4.443 . 6.910 6.567 5.321 7.592 0.682 7 1 "[ . + 1]" 1
59 1 8 TRP HD1 1 17 VAL MG2 2.464 . 3.223 2.224 2.010 2.601 . 0 0 "[ . 1]" 1
60 1 8 TRP HD1 1 18 LYS HA 2.928 . 4.000 4.178 4.087 4.294 0.294 4 0 "[ . 1]" 1
61 1 8 TRP HD1 1 18 LYS QG 3.710 . 5.431 3.770 3.498 4.102 . 0 0 "[ . 1]" 1
62 1 9 ARG H 1 9 ARG QD 4.353 . 6.448 3.251 1.895 3.844 0.099 5 0 "[ . 1]" 1
63 1 9 ARG H 1 9 ARG QG 2.976 . 4.083 2.806 2.521 3.112 . 0 0 "[ . 1]" 1
64 1 9 ARG H 1 11 SER HB2 4.980 . 8.080 7.499 7.164 7.979 . 0 0 "[ . 1]" 1
65 1 9 ARG H 1 15 VAL MG1 3.495 . 5.022 4.596 4.281 5.188 0.166 7 0 "[ . 1]" 1
66 1 9 ARG H 1 16 ILE H 2.635 . 3.503 3.048 2.823 3.219 . 0 0 "[ . 1]" 1
67 1 9 ARG H 1 16 ILE MG 2.587 . 3.424 3.198 2.980 3.278 . 0 0 "[ . 1]" 1
68 1 9 ARG HA 1 10 GLN H 2.809 . 3.795 2.238 2.175 2.290 . 0 0 "[ . 1]" 1
69 1 9 ARG HB2 1 10 GLN H 2.910 . 3.968 2.896 2.662 3.131 . 0 0 "[ . 1]" 1
70 1 9 ARG HB2 1 11 SER HA 4.283 . 6.576 6.163 5.692 6.657 0.081 3 0 "[ . 1]" 1
71 1 9 ARG QD 1 10 GLN H 4.388 . 6.795 4.844 3.722 5.177 . 0 0 "[ . 1]" 1
72 1 9 ARG QD 1 10 GLN HA 3.400 . 4.845 4.691 3.128 5.463 0.618 1 1 "[+ . 1]" 1
73 1 9 ARG QD 1 16 ILE MG 3.360 . 4.772 2.371 1.967 3.311 0.027 5 0 "[ . 1]" 1
74 1 9 ARG QG 1 10 GLN HA 3.601 . 5.222 3.324 2.952 4.718 . 0 0 "[ . 1]" 1
75 1 9 ARG QG 1 11 SER HB3 4.052 . 6.104 4.603 3.936 6.277 0.173 7 0 "[ . 1]" 1
76 1 9 ARG QG 1 16 ILE HA 3.472 . 4.979 4.510 4.125 5.028 0.049 4 0 "[ . 1]" 1
77 1 10 GLN H 1 10 GLN HB2 2.717 . 3.639 3.348 3.161 3.493 . 0 0 "[ . 1]" 1
78 1 10 GLN H 1 11 SER H 3.572 . 5.167 4.343 4.283 4.416 . 0 0 "[ . 1]" 1
79 1 10 GLN H 1 11 SER HB2 4.474 . 6.976 4.985 4.862 5.184 . 0 0 "[ . 1]" 1
80 1 10 GLN HA 1 11 SER H 2.677 . 3.573 2.160 2.130 2.214 . 0 0 "[ . 1]" 1
81 1 10 GLN HA 1 14 GLU HA 3.746 . 5.500 5.708 5.537 5.838 0.338 3 0 "[ . 1]" 1
82 1 10 GLN HA 1 15 VAL H 4.363 . 6.742 5.002 4.821 5.338 . 0 0 "[ . 1]" 1
83 1 10 GLN HA 1 15 VAL HA 2.736 . 3.672 2.401 2.203 2.831 . 0 0 "[ . 1]" 1
84 1 10 GLN HA 1 15 VAL MG1 3.955 . 5.910 3.809 3.186 4.718 . 0 0 "[ . 1]" 1
85 1 10 GLN HA 1 15 VAL MG2 3.659 . 5.333 3.574 2.845 4.018 . 0 0 "[ . 1]" 1
86 1 10 GLN HA 1 16 ILE H 2.431 . 3.170 2.987 2.734 3.204 0.034 3 0 "[ . 1]" 1
87 1 10 GLN HA 1 16 ILE MD 4.147 . 6.296 5.301 4.914 5.562 . 0 0 "[ . 1]" 1
88 1 10 GLN HB2 1 15 VAL HA 4.662 . 7.379 3.334 2.988 4.144 . 0 0 "[ . 1]" 1
89 1 10 GLN HE21 1 14 GLU QG 3.272 . 4.610 4.335 3.996 4.531 . 0 0 "[ . 1]" 1
90 1 10 GLN HE21 1 15 VAL MG1 3.600 . 5.220 3.439 2.905 4.422 . 0 0 "[ . 1]" 1
91 1 10 GLN HE21 1 16 ILE H 2.654 . 3.534 3.631 3.092 3.871 0.337 1 0 "[ . 1]" 1
92 1 10 GLN HE22 1 11 SER H 2.458 . 3.213 3.085 2.874 3.721 0.508 3 1 "[ + . 1]" 1
93 1 10 GLN HE22 1 15 VAL MG1 3.424 . 4.889 3.525 2.221 4.538 . 0 0 "[ . 1]" 1
94 1 11 SER H 1 11 SER HA 2.981 . 4.092 2.907 2.896 2.917 . 0 0 "[ . 1]" 1
95 1 11 SER H 1 11 SER HB3 2.221 . 2.837 2.791 2.706 2.837 . 0 0 "[ . 1]" 1
96 1 11 SER H 1 12 ALA HA 3.356 . 4.764 4.954 4.909 4.970 0.206 5 0 "[ . 1]" 1
97 1 11 SER H 1 13 GLU H 3.377 . 4.802 3.759 3.667 3.834 . 0 0 "[ . 1]" 1
98 1 11 SER H 1 13 GLU HG3 2.902 . 3.955 4.035 3.954 4.090 0.135 6 0 "[ . 1]" 1
99 1 11 SER H 1 14 GLU H 3.194 . 4.469 2.876 2.786 2.943 . 0 0 "[ . 1]" 1
100 1 11 SER HA 1 11 SER HB2 2.340 . 3.024 2.517 2.485 2.549 . 0 0 "[ . 1]" 1
101 1 11 SER HA 1 11 SER HB3 2.879 . 3.915 3.036 3.022 3.043 . 0 0 "[ . 1]" 1
102 1 11 SER HB2 1 14 GLU H 4.138 . 6.278 4.397 4.240 4.554 . 0 0 "[ . 1]" 1
103 1 11 SER HB3 1 13 GLU HG3 3.628 . 5.273 2.000 1.872 2.083 0.111 7 0 "[ . 1]" 1
104 1 12 ALA H 1 12 ALA MB 1.852 . 2.281 2.168 2.158 2.177 . 0 0 "[ . 1]" 1
105 1 12 ALA H 1 13 GLU H 3.536 . 5.099 2.632 2.579 2.693 . 0 0 "[ . 1]" 1
106 1 12 ALA HA 1 13 GLU HB3 3.719 . 5.448 5.554 5.512 5.592 0.144 4 0 "[ . 1]" 1
107 1 12 ALA HA 1 13 GLU HG2 3.244 . 4.560 4.606 4.565 4.642 0.082 1 0 "[ . 1]" 1
108 1 12 ALA HA 1 13 GLU HG3 4.333 . 6.680 5.512 5.437 5.629 . 0 0 "[ . 1]" 1
109 1 12 ALA HA 1 80 LYS HB3 5.469 . 9.208 8.312 6.969 9.275 0.067 4 0 "[ . 1]" 1
110 1 12 ALA MB 1 13 GLU H 2.959 . 4.053 3.085 3.048 3.139 . 0 0 "[ . 1]" 1
111 1 12 ALA MB 1 13 GLU HG2 2.534 . 3.337 3.356 3.331 3.398 0.061 9 0 "[ . 1]" 1
112 1 13 GLU H 1 13 GLU HG3 2.724 . 3.651 2.280 2.224 2.382 . 0 0 "[ . 1]" 1
113 1 13 GLU HA 1 13 GLU HB3 2.467 . 3.228 2.314 2.291 2.341 . 0 0 "[ . 1]" 1
114 1 13 GLU HA 1 13 GLU HG2 2.822 . 3.817 3.555 3.525 3.585 . 0 0 "[ . 1]" 1
115 1 13 GLU HA 1 13 GLU HG3 2.908 . 3.965 3.732 3.695 3.762 . 0 0 "[ . 1]" 1
116 1 13 GLU HG3 1 15 VAL HA 3.994 . 5.988 6.229 6.156 6.319 0.331 3 0 "[ . 1]" 1
117 1 14 GLU H 1 14 GLU QG 1.925 . 2.388 2.411 2.239 2.481 0.093 9 0 "[ . 1]" 1
118 1 14 GLU H 1 15 VAL H 3.629 . 5.275 4.242 4.163 4.306 . 0 0 "[ . 1]" 1
119 1 14 GLU H 1 77 LEU HG 4.067 . 6.135 6.413 6.202 7.645 1.510 6 1 "[ .+ 1]" 1
120 1 14 GLU HA 1 14 GLU HB2 2.142 . 2.716 2.540 2.429 2.596 . 0 0 "[ . 1]" 1
121 1 14 GLU HA 1 14 GLU QG 3.350 . 4.752 3.281 3.266 3.310 . 0 0 "[ . 1]" 1
122 1 14 GLU HA 1 77 LEU H 2.875 . 3.908 3.914 3.514 4.079 0.171 3 0 "[ . 1]" 1
123 1 14 GLU HB2 1 15 VAL HA 3.285 . 4.633 4.292 4.179 4.464 . 0 0 "[ . 1]" 1
124 1 15 VAL H 1 15 VAL HB 2.454 . 3.207 2.650 2.435 2.775 . 0 0 "[ . 1]" 1
125 1 15 VAL H 1 15 VAL MG2 3.489 . 5.010 2.776 2.265 3.765 . 0 0 "[ . 1]" 1
126 1 15 VAL H 1 77 LEU H 3.149 . 4.389 2.817 2.552 2.958 . 0 0 "[ . 1]" 1
127 1 15 VAL H 1 77 LEU QB 2.454 . 3.207 1.902 1.350 2.548 0.351 7 0 "[ . 1]" 1
128 1 15 VAL H 1 77 LEU QD 3.281 . 4.626 3.240 2.923 3.506 . 0 0 "[ . 1]" 1
129 1 15 VAL HA 1 15 VAL MG1 2.140 . 2.712 2.474 2.235 3.002 0.290 7 0 "[ . 1]" 1
130 1 15 VAL HA 1 15 VAL MG2 2.339 . 3.023 2.424 2.152 2.598 . 0 0 "[ . 1]" 1
131 1 15 VAL HA 1 16 ILE H 2.786 . 3.756 2.114 2.022 2.167 . 0 0 "[ . 1]" 1
132 1 15 VAL HB 1 15 VAL MG2 3.038 . 4.191 2.126 2.122 2.129 . 0 0 "[ . 1]" 1
133 1 16 ILE H 1 16 ILE HB 3.299 . 4.659 2.586 2.508 2.635 . 0 0 "[ . 1]" 1
134 1 16 ILE H 1 16 ILE MD 2.550 . 3.363 3.303 3.233 3.373 0.010 7 0 "[ . 1]" 1
135 1 16 ILE H 1 16 ILE HG12 2.959 . 4.054 2.913 2.733 3.066 . 0 0 "[ . 1]" 1
136 1 16 ILE H 1 16 ILE MG 4.405 . 6.831 3.796 3.734 3.827 . 0 0 "[ . 1]" 1
137 1 16 ILE H 1 75 LEU HB3 3.866 . 5.734 5.792 5.743 5.852 0.118 6 0 "[ . 1]" 1
138 1 16 ILE H 1 75 LEU QD 4.233 . 6.473 5.444 4.823 5.779 . 0 0 "[ . 1]" 1
139 1 16 ILE HA 1 16 ILE MG 2.128 . 2.694 2.447 2.385 2.508 . 0 0 "[ . 1]" 1
140 1 16 ILE HA 1 17 VAL H 2.425 . 3.160 2.088 2.059 2.117 . 0 0 "[ . 1]" 1
141 1 16 ILE HA 1 75 LEU H 2.857 . 3.877 3.832 3.708 3.904 0.027 8 0 "[ . 1]" 1
142 1 16 ILE HA 1 75 LEU QD 3.788 . 5.582 4.077 3.404 4.597 . 0 0 "[ . 1]" 1
143 1 16 ILE HA 1 76 THR HA 3.280 . 4.625 3.396 3.289 3.562 . 0 0 "[ . 1]" 1
144 1 16 ILE MD 1 75 LEU HB3 2.916 . 3.979 3.988 3.922 4.049 0.070 7 0 "[ . 1]" 1
145 1 16 ILE MD 1 76 THR HA 3.074 . 4.255 1.853 1.726 2.027 0.167 3 0 "[ . 1]" 1
146 1 16 ILE MD 1 76 THR HB 3.649 . 5.314 3.443 3.234 3.678 . 0 0 "[ . 1]" 1
147 1 16 ILE MG 1 17 VAL H 3.004 . 4.132 2.688 2.549 2.886 . 0 0 "[ . 1]" 1
148 1 16 ILE MG 1 75 LEU H 3.813 . 5.631 3.480 3.225 3.808 . 0 0 "[ . 1]" 1
149 1 17 VAL H 1 17 VAL HB 2.519 . 3.312 3.359 3.199 3.423 0.111 9 0 "[ . 1]" 1
150 1 17 VAL H 1 17 VAL MG1 1.774 . 2.167 2.077 2.025 2.141 . 0 0 "[ . 1]" 1
151 1 17 VAL H 1 18 LYS QG 7.634 . 14.918 4.078 3.936 4.423 . 0 0 "[ . 1]" 1
152 1 17 VAL H 1 19 LEU HB2 4.904 . 7.910 7.962 7.853 8.036 0.126 7 0 "[ . 1]" 1
153 1 17 VAL H 1 42 VAL HA 5.608 . 9.540 8.460 8.233 8.794 . 0 0 "[ . 1]" 1
154 1 17 VAL H 1 75 LEU H 3.260 . 4.588 2.499 2.403 2.633 . 0 0 "[ . 1]" 1
155 1 17 VAL HA 1 17 VAL HB 2.663 . 3.549 2.364 2.318 2.488 . 0 0 "[ . 1]" 1
156 1 17 VAL HA 1 17 VAL MG1 2.677 . 3.573 3.158 3.142 3.214 . 0 0 "[ . 1]" 1
157 1 17 VAL HA 1 17 VAL MG2 3.127 . 4.350 2.585 2.390 2.676 . 0 0 "[ . 1]" 1
158 1 17 VAL MG1 1 50 TRP HD1 4.178 . 6.360 4.774 4.614 4.950 . 0 0 "[ . 1]" 1
159 1 17 VAL MG1 1 74 HIS H 4.149 . 6.301 5.810 5.128 5.957 . 0 0 "[ . 1]" 1
160 1 17 VAL MG1 1 75 LEU H 2.207 . 2.816 2.624 2.455 2.794 . 0 0 "[ . 1]" 1
161 1 17 VAL MG2 1 42 VAL HB 3.773 . 5.553 4.397 3.969 4.966 . 0 0 "[ . 1]" 1
162 1 18 LYS H 1 18 LYS QG 2.948 . 4.034 2.557 2.253 2.831 . 0 0 "[ . 1]" 1
163 1 18 LYS H 1 19 LEU MD1 3.496 . 5.024 4.424 4.124 4.593 . 0 0 "[ . 1]" 1
164 1 18 LYS H 1 19 LEU HG 2.622 . 3.481 3.684 3.524 3.796 0.315 5 0 "[ . 1]" 1
165 1 18 LYS H 1 31 VAL MG2 6.836 . 12.677 7.941 7.418 8.784 . 0 0 "[ . 1]" 1
166 1 18 LYS H 1 74 HIS HA 3.121 . 4.338 4.734 4.544 4.825 0.487 6 0 "[ . 1]" 1
167 1 18 LYS HA 1 18 LYS HB3 2.668 . 3.558 2.368 2.227 2.475 . 0 0 "[ . 1]" 1
168 1 18 LYS HA 1 19 LEU H 2.734 . 3.669 2.110 2.073 2.149 . 0 0 "[ . 1]" 1
169 1 18 LYS HA 1 19 LEU HB2 3.176 . 4.437 4.446 4.194 4.520 0.083 10 0 "[ . 1]" 1
170 1 18 LYS HA 1 19 LEU HG 2.565 . 3.387 3.375 3.090 3.471 0.084 10 0 "[ . 1]" 1
171 1 18 LYS HB3 1 75 LEU HA 5.053 . 8.244 8.178 6.927 8.350 0.106 9 0 "[ . 1]" 1
172 1 18 LYS QG 1 74 HIS HA 3.014 . 4.149 2.918 2.475 4.057 . 0 0 "[ . 1]" 1
173 1 19 LEU H 1 19 LEU HA 2.504 . 3.288 2.934 2.924 2.940 . 0 0 "[ . 1]" 1
174 1 19 LEU H 1 19 LEU MD1 2.526 . 3.324 2.663 2.009 3.195 . 0 0 "[ . 1]" 1
175 1 19 LEU H 1 19 LEU HG 2.617 . 3.473 2.835 2.697 2.931 . 0 0 "[ . 1]" 1
176 1 19 LEU H 1 21 VAL QG 3.940 . 5.881 5.411 5.342 5.571 . 0 0 "[ . 1]" 1
177 1 19 LEU H 1 73 LEU HB2 1.769 . 2.160 2.286 2.204 2.351 0.191 10 0 "[ . 1]" 1
178 1 19 LEU HA 1 31 VAL MG1 5.358 . 8.946 7.603 7.073 7.999 . 0 0 "[ . 1]" 1
179 1 19 LEU HB2 1 42 VAL MG2 4.405 . 6.831 5.610 5.154 6.153 . 0 0 "[ . 1]" 1
180 1 19 LEU MD1 1 74 HIS QB 4.521 . 7.076 5.268 4.642 5.889 . 0 0 "[ . 1]" 1
181 1 20 ARG H 1 20 ARG HA 2.478 . 3.245 2.915 2.910 2.921 . 0 0 "[ . 1]" 1
182 1 20 ARG H 1 20 ARG HG2 2.701 . 3.613 2.954 2.185 4.411 0.798 7 1 "[ . + 1]" 1
183 1 20 ARG H 1 73 LEU H 3.317 . 4.692 4.798 4.647 4.848 0.156 7 0 "[ . 1]" 1
184 1 20 ARG HA 1 20 ARG HB2 2.315 . 2.985 2.523 2.283 3.026 0.041 8 0 "[ . 1]" 1
185 1 20 ARG HA 1 21 VAL H 3.146 . 4.383 2.190 2.132 2.299 . 0 0 "[ . 1]" 1
186 1 21 VAL H 1 21 VAL HB 2.917 . 3.981 2.556 2.366 3.221 . 0 0 "[ . 1]" 1
187 1 21 VAL H 1 21 VAL QG 3.285 . 4.634 2.448 1.849 2.790 0.087 1 0 "[ . 1]" 1
188 1 21 VAL H 1 22 GLY HA3 4.822 . 7.728 5.691 5.501 5.875 . 0 0 "[ . 1]" 1
189 1 21 VAL HA 1 21 VAL QG 2.668 . 2.998 2.163 2.069 2.532 . 0 0 "[ . 1]" 1
190 1 21 VAL HA 1 22 GLY H 2.226 . 2.846 2.101 2.074 2.172 . 0 0 "[ . 1]" 1
191 1 21 VAL HA 1 68 ARG HA 5.730 . 9.834 8.837 8.641 9.200 . 0 0 "[ . 1]" 1
192 1 21 VAL QG 1 22 GLY H 3.715 . 5.440 2.823 2.390 3.023 . 0 0 "[ . 1]" 1
193 1 21 VAL QG 1 23 VAL H 3.257 . 4.583 2.105 1.779 2.467 0.152 7 0 "[ . 1]" 1
194 1 21 VAL QG 1 23 VAL HB 3.207 . 4.493 3.488 3.043 3.976 . 0 0 "[ . 1]" 1
195 1 21 VAL QG 1 23 VAL MG1 3.640 . 5.296 1.739 1.306 2.119 0.678 1 1 "[+ . 1]" 1
196 1 21 VAL QG 1 25 PRO HA 4.223 . 6.452 4.371 3.800 5.327 . 0 0 "[ . 1]" 1
197 1 21 VAL QG 1 26 LEU MD1 3.443 . 4.925 2.003 1.715 2.349 0.246 8 0 "[ . 1]" 1
198 1 21 VAL QG 1 68 ARG HA 3.970 . 5.940 5.004 4.740 5.229 . 0 0 "[ . 1]" 1
199 1 22 GLY HA3 1 23 VAL H 3.018 . 4.156 3.401 3.255 3.536 . 0 0 "[ . 1]" 1
200 1 22 GLY HA3 1 23 VAL HA 2.977 . 4.085 4.352 4.318 4.394 0.309 7 0 "[ . 1]" 1
201 1 23 VAL H 1 23 VAL HB 3.224 . 4.523 2.672 2.499 2.818 . 0 0 "[ . 1]" 1
202 1 23 VAL H 1 23 VAL MG1 2.990 . 4.107 1.979 1.892 2.090 . 0 0 "[ . 1]" 1
203 1 23 VAL H 1 27 GLN HE22 3.807 . 5.619 5.780 5.687 5.886 0.267 8 0 "[ . 1]" 1
204 1 23 VAL HA 1 23 VAL HB 1.905 . 2.359 2.466 2.434 2.495 0.136 5 0 "[ . 1]" 1
205 1 23 VAL HA 1 23 VAL MG1 2.697 . 3.606 3.201 3.196 3.207 . 0 0 "[ . 1]" 1
206 1 23 VAL HA 1 24 GLY H 3.976 . 5.952 3.141 2.772 3.381 . 0 0 "[ . 1]" 1
207 1 23 VAL HB 1 24 GLY H 3.382 . 4.812 4.231 3.700 4.538 . 0 0 "[ . 1]" 1
208 1 23 VAL HB 1 25 PRO HA 5.218 . 8.621 8.245 7.837 8.468 . 0 0 "[ . 1]" 1
209 1 23 VAL HB 1 26 LEU HA 9.392 . 20.419 6.920 6.386 7.370 . 0 0 "[ . 1]" 1
210 1 23 VAL MG1 1 24 GLY H 3.153 . 4.395 2.973 2.582 3.657 . 0 0 "[ . 1]" 1
211 1 23 VAL MG1 1 25 PRO HA 4.056 . 6.112 5.105 4.589 5.395 . 0 0 "[ . 1]" 1
212 1 25 PRO HA 1 26 LEU QB . . 4.367 3.947 3.868 4.041 . 0 0 "[ . 1]" 1
213 1 25 PRO HA 1 27 GLN HB3 4.016 . 6.032 6.098 5.974 6.195 0.163 8 0 "[ . 1]" 1
214 1 25 PRO HD2 1 28 LEU HB2 6.499 . 11.778 11.629 10.896 12.011 0.233 7 0 "[ . 1]" 1
215 1 26 LEU H 1 26 LEU QB . . 2.017 2.101 2.054 2.160 0.143 2 0 "[ . 1]" 1
216 1 26 LEU H 1 27 GLN HB3 3.931 . 5.862 5.429 5.190 5.576 . 0 0 "[ . 1]" 1
217 1 26 LEU H 1 29 GLU QG 5.487 . 9.250 7.734 7.346 8.489 . 0 0 "[ . 1]" 1
218 1 26 LEU H 1 30 ASP HA 5.052 . 8.242 8.454 8.272 8.628 0.386 7 0 "[ . 1]" 1
219 1 26 LEU HA 1 27 GLN HE21 2.415 . 3.144 3.134 2.668 3.286 0.142 5 0 "[ . 1]" 1
220 1 26 LEU HA 1 30 ASP QB 4.085 . 6.171 3.340 2.941 3.822 . 0 0 "[ . 1]" 1
221 1 26 LEU QB 1 26 LEU MD1 1.984 . 2.476 2.240 2.103 2.375 . 0 0 "[ . 1]" 1
222 1 26 LEU QB 1 30 ASP HA 4.615 . 7.278 6.758 6.530 6.899 . 0 0 "[ . 1]" 1
223 1 26 LEU MD1 1 27 GLN HA 3.786 . 5.577 4.543 3.586 5.075 . 0 0 "[ . 1]" 1
224 1 26 LEU MD1 1 28 LEU HA 5.040 . 8.215 4.721 3.791 5.622 . 0 0 "[ . 1]" 1
225 1 26 LEU MD1 1 30 ASP HA 3.608 . 5.235 4.595 4.175 4.931 . 0 0 "[ . 1]" 1
226 1 26 LEU MD1 1 30 ASP QB 2.418 . 3.149 2.345 1.755 2.715 . 0 0 "[ . 1]" 1
227 1 26 LEU MD1 1 68 ARG HA 3.566 . 5.156 3.699 3.345 4.378 . 0 0 "[ . 1]" 1
228 1 26 LEU MD1 1 68 ARG HB2 3.721 . 5.452 2.019 1.730 2.463 0.260 8 0 "[ . 1]" 1
229 1 27 GLN H 1 27 GLN HB3 2.841 . 3.850 3.055 2.938 3.259 . 0 0 "[ . 1]" 1
230 1 27 GLN H 1 27 GLN QG 3.180 . 4.444 2.843 2.352 2.985 . 0 0 "[ . 1]" 1
231 1 27 GLN H 1 28 LEU MD1 4.322 . 6.657 6.084 4.921 6.883 0.226 7 0 "[ . 1]" 1
232 1 27 GLN H 1 30 ASP H 3.641 . 5.298 3.905 3.412 4.331 . 0 0 "[ . 1]" 1
233 1 27 GLN H 1 30 ASP HA 4.346 . 6.707 4.782 4.286 5.049 . 0 0 "[ . 1]" 1
234 1 27 GLN H 1 44 PHE QB 7.087 . 13.366 9.474 8.802 10.599 . 0 0 "[ . 1]" 1
235 1 27 GLN HA 1 27 GLN QG 2.608 . 3.458 3.452 3.414 3.475 0.017 2 0 "[ . 1]" 1
236 1 27 GLN HA 1 28 LEU H 3.030 . 4.178 2.418 2.315 2.532 . 0 0 "[ . 1]" 1
237 1 27 GLN HB3 1 27 GLN HE21 3.382 . 4.812 3.793 3.665 3.869 . 0 0 "[ . 1]" 1
238 1 27 GLN HB3 1 27 GLN HE22 3.228 . 4.530 4.240 4.069 4.311 . 0 0 "[ . 1]" 1
239 1 27 GLN HE21 1 27 GLN QG 3.538 . 5.103 2.253 2.171 2.309 . 0 0 "[ . 1]" 1
240 1 27 GLN HE22 1 27 GLN QG 3.264 . 4.596 3.327 3.292 3.349 . 0 0 "[ . 1]" 1
241 1 27 GLN QG 1 29 GLU QB 2.142 . 2.716 2.722 1.631 3.572 0.856 10 1 "[ . +]" 1
242 1 28 LEU H 1 28 LEU HB2 2.759 . 3.711 2.492 2.030 3.586 . 0 0 "[ . 1]" 1
243 1 28 LEU H 1 28 LEU MD1 3.356 . 4.764 3.357 1.727 4.358 0.221 10 0 "[ . 1]" 1
244 1 28 LEU H 1 29 GLU QG 3.268 . 4.603 4.487 3.438 5.913 1.310 7 1 "[ . + 1]" 1
245 1 28 LEU HA 1 28 LEU HB2 2.486 . 3.259 2.756 2.361 2.976 . 0 0 "[ . 1]" 1
246 1 28 LEU HA 1 28 LEU MD1 2.371 . 3.074 2.549 1.714 3.256 0.182 5 0 "[ . 1]" 1
247 1 28 LEU HA 1 28 LEU MD2 2.996 . 4.118 2.568 1.633 3.603 0.241 3 0 "[ . 1]" 1
248 1 28 LEU HA 1 29 GLU H 3.124 . 4.344 3.415 3.375 3.476 . 0 0 "[ . 1]" 1
249 1 28 LEU HA 1 29 GLU QB 4.326 . 6.666 5.284 4.933 5.574 . 0 0 "[ . 1]" 1
250 1 28 LEU HA 1 29 GLU QG 4.491 . 7.012 5.244 4.829 6.249 . 0 0 "[ . 1]" 1
251 1 28 LEU HB2 1 28 LEU MD1 2.553 . 3.368 3.066 2.228 3.196 . 0 0 "[ . 1]" 1
252 1 28 LEU HB2 1 28 LEU MD2 2.442 . 3.187 2.411 2.220 2.614 . 0 0 "[ . 1]" 1
253 1 28 LEU HB2 1 29 GLU H 3.166 . 4.419 3.481 2.965 4.190 . 0 0 "[ . 1]" 1
254 1 28 LEU HB2 1 30 ASP QB 5.073 . 8.290 6.428 6.170 6.528 . 0 0 "[ . 1]" 1
255 1 28 LEU MD1 1 29 GLU H 4.062 . 6.124 3.961 1.910 4.631 0.090 5 0 "[ . 1]" 1
256 1 28 LEU MD2 1 44 PHE QB 7.066 . 13.307 10.386 8.776 11.466 . 0 0 "[ . 1]" 1
257 1 29 GLU H 1 29 GLU QB 2.737 . 3.673 2.327 2.030 2.925 . 0 0 "[ . 1]" 1
258 1 29 GLU H 1 29 GLU QG 3.387 . 4.821 2.479 1.777 3.760 0.176 2 0 "[ . 1]" 1
259 1 29 GLU H 1 30 ASP H 3.166 . 4.419 2.771 2.716 2.842 . 0 0 "[ . 1]" 1
260 1 29 GLU HA 1 29 GLU QB 3.066 . 4.241 2.146 2.118 2.240 . 0 0 "[ . 1]" 1
261 1 29 GLU HA 1 29 GLU QG . . 3.371 3.221 2.795 3.374 0.003 9 0 "[ . 1]" 1
262 1 29 GLU QB 1 29 GLU QG 2.381 . 3.089 2.035 1.976 2.059 . 0 0 "[ . 1]" 1
263 1 29 GLU QB 1 30 ASP H 2.970 . 4.073 3.717 3.137 3.888 . 0 0 "[ . 1]" 1
264 1 29 GLU QG 1 30 ASP HA 3.077 . 4.261 3.183 2.639 4.335 0.074 2 0 "[ . 1]" 1
265 1 30 ASP H 1 30 ASP HA 2.066 . 2.600 2.805 2.772 2.833 0.233 3 0 "[ . 1]" 1
266 1 30 ASP H 1 30 ASP QB 2.535 . 3.338 2.302 2.185 2.400 . 0 0 "[ . 1]" 1
267 1 30 ASP H 1 31 VAL H 2.867 . 3.894 2.531 2.437 2.620 . 0 0 "[ . 1]" 1
268 1 30 ASP H 1 45 ALA MB 3.011 . 4.145 4.093 3.943 4.201 0.056 7 0 "[ . 1]" 1
269 1 30 ASP HA 1 30 ASP QB 1.821 . 2.235 2.237 2.147 2.389 0.154 10 0 "[ . 1]" 1
270 1 30 ASP HA 1 31 VAL H 2.921 . 3.987 3.442 3.381 3.504 . 0 0 "[ . 1]" 1
271 1 30 ASP HA 1 45 ALA MB 3.022 . 4.163 1.742 1.682 1.841 0.199 7 0 "[ . 1]" 1
272 1 30 ASP HA 1 68 ARG QG 4.646 . 7.345 6.780 5.726 7.156 . 0 0 "[ . 1]" 1
273 1 30 ASP QB 1 31 VAL H 3.066 . 4.241 3.376 2.995 3.651 . 0 0 "[ . 1]" 1
274 1 30 ASP QB 1 31 VAL MG1 4.725 . 7.516 5.459 5.055 5.769 . 0 0 "[ . 1]" 1
275 1 30 ASP QB 1 45 ALA H 2.886 . 3.927 3.575 3.250 3.771 . 0 0 "[ . 1]" 1
276 1 30 ASP QB 1 45 ALA HA 3.285 . 4.633 4.365 3.920 4.601 . 0 0 "[ . 1]" 1
277 1 30 ASP QB 1 45 ALA MB 2.906 . 3.961 2.508 2.157 2.968 . 0 0 "[ . 1]" 1
278 1 31 VAL H 1 31 VAL HB 2.759 . 3.711 2.869 2.765 2.960 . 0 0 "[ . 1]" 1
279 1 31 VAL H 1 31 VAL MG2 3.482 . 4.997 2.723 2.546 2.867 . 0 0 "[ . 1]" 1
280 1 31 VAL H 1 32 ASP H 3.675 . 5.363 4.195 4.154 4.328 . 0 0 "[ . 1]" 1
281 1 31 VAL H 1 43 ARG H 4.797 . 7.673 6.624 6.521 6.792 . 0 0 "[ . 1]" 1
282 1 31 VAL HA 1 31 VAL HB 2.411 . 3.138 3.015 3.001 3.026 . 0 0 "[ . 1]" 1
283 1 31 VAL HA 1 31 VAL MG2 2.033 . 2.550 2.443 2.353 2.513 . 0 0 "[ . 1]" 1
284 1 31 VAL HA 1 43 ARG HD3 2.918 . 3.982 3.420 3.070 4.018 0.036 3 0 "[ . 1]" 1
285 1 31 VAL HA 1 44 PHE HA 2.612 . 3.465 2.985 2.727 3.176 . 0 0 "[ . 1]" 1
286 1 31 VAL HA 1 66 GLN QB 4.893 . 7.886 6.042 5.678 6.580 . 0 0 "[ . 1]" 1
287 1 31 VAL MG1 1 33 ALA HA 3.334 . 4.723 3.705 3.524 3.907 . 0 0 "[ . 1]" 1
288 1 31 VAL MG1 1 43 ARG H 2.386 . 3.098 2.667 2.561 2.889 . 0 0 "[ . 1]" 1
289 1 31 VAL MG1 1 43 ARG HB2 3.673 . 5.360 4.957 4.782 5.178 . 0 0 "[ . 1]" 1
290 1 31 VAL MG1 1 44 PHE H 3.376 . 4.800 4.756 4.672 4.860 0.060 6 0 "[ . 1]" 1
291 1 31 VAL MG1 1 44 PHE HA 3.373 . 4.795 3.786 3.652 3.892 . 0 0 "[ . 1]" 1
292 1 31 VAL MG1 1 66 GLN HA 5.660 . 9.664 4.923 4.620 5.557 . 0 0 "[ . 1]" 1
293 1 31 VAL MG1 1 66 GLN QB 3.759 . 5.525 3.030 2.741 3.556 . 0 0 "[ . 1]" 1
294 1 31 VAL MG1 1 73 LEU HB2 3.849 . 5.701 5.084 4.871 5.240 . 0 0 "[ . 1]" 1
295 1 31 VAL MG2 1 44 PHE HA 2.613 . 3.466 3.328 2.908 3.463 . 0 0 "[ . 1]" 1
296 1 31 VAL MG2 1 66 GLN QB 4.003 . 6.006 3.513 3.131 3.879 . 0 0 "[ . 1]" 1
297 1 32 ASP H 1 32 ASP HA 2.232 . 2.855 2.929 2.919 2.938 0.083 8 0 "[ . 1]" 1
298 1 32 ASP H 1 43 ARG HA 2.994 . 4.115 4.144 4.048 4.245 0.130 3 0 "[ . 1]" 1
299 1 32 ASP H 1 43 ARG HB2 5.189 . 8.555 3.743 3.525 3.966 . 0 0 "[ . 1]" 1
300 1 32 ASP H 1 43 ARG HD3 2.063 . 2.595 2.607 2.407 2.769 0.174 3 0 "[ . 1]" 1
301 1 32 ASP HA 1 42 VAL HB 6.156 . 10.892 8.881 8.742 9.071 . 0 0 "[ . 1]" 1
302 1 32 ASP HA 1 43 ARG HD2 2.743 . 3.683 3.830 3.754 3.930 0.247 1 0 "[ . 1]" 1
303 1 33 ALA H 1 33 ALA HA 2.477 . 3.244 2.935 2.924 2.943 . 0 0 "[ . 1]" 1
304 1 33 ALA H 1 33 ALA MB 2.855 . 3.874 2.439 2.388 2.581 . 0 0 "[ . 1]" 1
305 1 33 ALA H 1 34 ALA H 3.209 . 4.496 4.332 4.218 4.380 . 0 0 "[ . 1]" 1
306 1 33 ALA H 1 41 VAL MG1 3.346 . 4.745 4.551 4.282 4.641 . 0 0 "[ . 1]" 1
307 1 33 ALA HA 1 33 ALA MB 2.868 . 3.896 2.118 2.100 2.129 . 0 0 "[ . 1]" 1
308 1 33 ALA HA 1 34 ALA H 2.304 . 2.968 2.152 2.058 2.191 . 0 0 "[ . 1]" 1
309 1 33 ALA HA 1 42 VAL H 3.118 . 4.333 4.417 4.374 4.445 0.112 2 0 "[ . 1]" 1
310 1 33 ALA HA 1 42 VAL HA 2.956 . 4.049 2.676 2.482 2.865 . 0 0 "[ . 1]" 1
311 1 33 ALA HA 1 42 VAL MG2 3.559 . 5.142 4.083 3.840 4.315 . 0 0 "[ . 1]" 1
312 1 33 ALA HA 1 43 ARG H 3.046 . 4.206 2.984 2.800 3.135 . 0 0 "[ . 1]" 1
313 1 33 ALA MB 1 41 VAL HA 3.873 . 5.748 5.324 5.216 5.430 . 0 0 "[ . 1]" 1
314 1 33 ALA MB 1 43 ARG H 3.180 . 4.444 3.426 2.967 3.693 . 0 0 "[ . 1]" 1
315 1 34 ALA H 1 34 ALA MB 2.747 . 3.690 2.449 2.366 2.509 . 0 0 "[ . 1]" 1
316 1 34 ALA H 1 41 VAL HA 2.789 . 3.761 3.989 3.920 4.037 0.276 1 0 "[ . 1]" 1
317 1 34 ALA H 1 41 VAL HB 3.714 . 5.438 1.947 1.851 2.179 0.139 9 0 "[ . 1]" 1
318 1 34 ALA H 1 41 VAL MG1 1.791 . 2.192 2.072 1.848 2.213 0.021 1 0 "[ . 1]" 1
319 1 34 ALA HA 1 35 PHE H 2.744 . 3.685 2.228 2.167 2.313 . 0 0 "[ . 1]" 1
320 1 34 ALA HA 1 41 VAL HB 4.690 . 7.440 3.832 3.698 4.133 . 0 0 "[ . 1]" 1
321 1 34 ALA MB 1 35 PHE H 3.089 . 4.281 3.079 2.769 3.256 . 0 0 "[ . 1]" 1
322 1 34 ALA MB 1 35 PHE HA 3.985 . 5.970 3.982 3.671 4.164 . 0 0 "[ . 1]" 1
323 1 34 ALA MB 1 40 CYS HA 3.131 . 4.356 4.135 3.958 4.304 . 0 0 "[ . 1]" 1
324 1 34 ALA MB 1 41 VAL H 3.458 . 4.953 3.537 3.266 3.769 . 0 0 "[ . 1]" 1
325 1 34 ALA MB 1 42 VAL HA 4.512 . 7.057 5.689 5.518 5.840 . 0 0 "[ . 1]" 1
326 1 35 PHE H 1 35 PHE QB 3.576 . 4.482 2.742 2.490 3.063 . 0 0 "[ . 1]" 1
327 1 35 PHE H 1 35 PHE QD 3.277 . 4.619 3.543 2.476 4.399 . 0 0 "[ . 1]" 1
328 1 35 PHE H 1 36 THR H 3.834 . 5.671 4.298 4.216 4.389 . 0 0 "[ . 1]" 1
329 1 35 PHE HA 1 35 PHE QB . . 3.091 2.343 2.174 2.517 . 0 0 "[ . 1]" 1
330 1 35 PHE HA 1 35 PHE QD 3.366 . 4.782 3.169 2.591 3.670 . 0 0 "[ . 1]" 1
331 1 35 PHE HA 1 36 THR H 2.680 . 3.578 2.110 2.030 2.176 . 0 0 "[ . 1]" 1
332 1 35 PHE HA 1 36 THR MG 4.105 . 6.211 5.263 5.188 5.329 . 0 0 "[ . 1]" 1
333 1 35 PHE HA 1 40 CYS QB 3.388 . 4.823 2.743 2.088 3.361 . 0 0 "[ . 1]" 1
334 1 35 PHE HA 1 41 VAL H 3.582 . 5.185 3.112 2.695 3.492 . 0 0 "[ . 1]" 1
335 1 35 PHE QB 1 36 THR H 3.118 . 4.333 3.298 2.946 3.600 . 0 0 "[ . 1]" 1
336 1 35 PHE QB 1 36 THR HA 3.846 . 5.695 4.471 4.318 4.610 . 0 0 "[ . 1]" 1
337 1 35 PHE QB 1 40 CYS QB 3.882 . 5.766 3.157 2.197 4.121 . 0 0 "[ . 1]" 1
338 1 35 PHE QB 1 41 VAL H 3.404 . 4.852 3.842 3.198 4.519 . 0 0 "[ . 1]" 1
339 1 35 PHE QB 1 41 VAL HB 4.056 . 6.112 5.301 4.912 5.846 . 0 0 "[ . 1]" 1
340 1 35 PHE QB 1 42 VAL MG1 6.175 . 10.941 8.000 7.374 8.649 . 0 0 "[ . 1]" 1
341 1 35 PHE QB 1 63 ALA H 3.028 . 4.174 4.513 4.328 4.983 0.809 1 2 "[+ .- 1]" 1
342 1 35 PHE QB 1 64 LYS HG2 2.368 . 3.069 2.568 2.227 3.234 0.165 7 0 "[ . 1]" 1
343 1 35 PHE QB 1 64 LYS HG3 2.886 . 3.927 2.898 1.843 3.575 0.002 3 0 "[ . 1]" 1
344 1 35 PHE QB 1 77 LEU HA 4.909 . 7.921 6.958 6.421 7.255 . 0 0 "[ . 1]" 1
345 1 35 PHE QD 1 36 THR H 3.872 . 5.746 2.902 2.026 3.725 . 0 0 "[ . 1]" 1
346 1 35 PHE QD 1 36 THR HB 3.799 . 5.603 5.041 4.384 5.673 0.070 3 0 "[ . 1]" 1
347 1 35 PHE QD 1 36 THR MG 3.799 . 5.603 5.040 4.930 5.132 . 0 0 "[ . 1]" 1
348 1 35 PHE QD 1 40 CYS QB 3.721 . 4.471 3.536 2.790 4.233 . 0 0 "[ . 1]" 1
349 1 35 PHE QD 1 58 ILE MG 4.402 . 6.824 3.806 2.742 5.479 . 0 0 "[ . 1]" 1
350 1 35 PHE QD 1 63 ALA MB 4.016 . 6.032 5.668 5.373 6.047 0.015 1 0 "[ . 1]" 1
351 1 36 THR H 1 36 THR MG 3.294 . 4.650 3.863 3.830 3.887 . 0 0 "[ . 1]" 1
352 1 36 THR H 1 39 ASP H 3.308 . 4.676 3.028 2.817 3.267 . 0 0 "[ . 1]" 1
353 1 36 THR H 1 39 ASP HA 3.159 . 4.407 4.568 4.436 4.629 0.222 8 0 "[ . 1]" 1
354 1 36 THR H 1 40 CYS HA 3.856 . 5.714 2.828 2.523 3.142 . 0 0 "[ . 1]" 1
355 1 36 THR H 1 58 ILE MG 3.825 . 5.654 4.001 3.516 4.370 . 0 0 "[ . 1]" 1
356 1 36 THR HA 1 38 THR MG 4.610 . 7.267 6.039 5.871 6.249 . 0 0 "[ . 1]" 1
357 1 36 THR HB 1 37 ASP HA 3.151 . 4.392 4.707 4.626 4.776 0.384 9 0 "[ . 1]" 1
358 1 36 THR HB 1 38 THR MG 4.054 . 6.108 4.715 4.416 5.047 . 0 0 "[ . 1]" 1
359 1 36 THR HB 1 39 ASP H 3.616 . 5.251 2.007 1.934 2.081 0.047 6 0 "[ . 1]" 1
360 1 36 THR MG 1 37 ASP HA 2.994 . 4.114 3.976 3.946 4.020 . 0 0 "[ . 1]" 1
361 1 36 THR MG 1 39 ASP H 2.550 . 3.363 3.493 3.409 3.566 0.203 4 0 "[ . 1]" 1
362 1 37 ASP H 1 37 ASP QB 3.588 . 4.667 2.489 2.328 2.768 . 0 0 "[ . 1]" 1
363 1 37 ASP H 1 38 THR H 3.121 . 4.339 2.494 2.443 2.601 . 0 0 "[ . 1]" 1
364 1 37 ASP H 1 38 THR HA 3.421 . 4.884 5.068 5.038 5.102 0.218 10 0 "[ . 1]" 1
365 1 37 ASP HA 1 37 ASP QB 2.533 . 3.335 2.358 2.162 2.428 . 0 0 "[ . 1]" 1
366 1 37 ASP HA 1 58 ILE HB 3.405 . 4.854 3.817 3.023 4.805 . 0 0 "[ . 1]" 1
367 1 37 ASP HA 1 58 ILE MG 2.843 . 3.854 2.985 2.438 3.711 . 0 0 "[ . 1]" 1
368 1 37 ASP HA 1 60 SER HB2 4.924 . 7.955 8.094 8.000 8.175 0.220 2 0 "[ . 1]" 1
369 1 37 ASP QB 1 38 THR H 4.184 . 6.372 3.155 2.929 3.388 . 0 0 "[ . 1]" 1
370 1 37 ASP QB 1 38 THR HA 3.392 . 4.830 4.163 4.061 4.243 . 0 0 "[ . 1]" 1
371 1 37 ASP QB 1 38 THR MG 3.552 . 5.129 2.669 2.376 2.816 . 0 0 "[ . 1]" 1
372 1 37 ASP QB 1 55 TYR H 5.224 . 8.635 7.675 7.197 7.946 . 0 0 "[ . 1]" 1
373 1 37 ASP QB 1 55 TYR HB2 5.603 . 9.527 8.530 7.983 8.945 . 0 0 "[ . 1]" 1
374 1 37 ASP QB 1 56 ALA H 4.160 . 6.324 5.861 5.328 6.073 . 0 0 "[ . 1]" 1
375 1 38 THR H 1 38 THR MG 3.033 . 4.183 2.953 2.872 3.088 . 0 0 "[ . 1]" 1
376 1 38 THR H 1 57 GLU H 4.216 . 6.437 6.445 6.092 6.642 0.205 10 0 "[ . 1]" 1
377 1 38 THR HA 1 38 THR HB 2.501 . 3.283 2.451 2.384 2.497 . 0 0 "[ . 1]" 1
378 1 38 THR HA 1 38 THR MG 2.369 . 3.071 2.210 2.129 2.305 . 0 0 "[ . 1]" 1
379 1 38 THR HA 1 54 PHE QB 3.624 . 5.266 2.423 1.881 3.122 0.101 9 0 "[ . 1]" 1
380 1 38 THR HB 1 38 THR MG 2.002 . 2.503 2.117 2.104 2.125 . 0 0 "[ . 1]" 1
381 1 38 THR HB 1 56 ALA H 2.675 . 3.569 3.568 3.228 3.887 0.318 10 0 "[ . 1]" 1
382 1 38 THR MG 1 57 GLU HG2 3.532 . 5.092 4.928 4.714 5.194 0.102 9 0 "[ . 1]" 1
383 1 38 THR MG 1 57 GLU HG3 3.816 . 5.636 5.200 5.020 5.363 . 0 0 "[ . 1]" 1
384 1 38 THR MG 1 58 ILE H 2.935 . 4.011 3.905 3.662 4.055 0.044 10 0 "[ . 1]" 1
385 1 39 ASP H 1 40 CYS H 3.173 . 4.431 4.390 4.278 4.438 0.007 10 0 "[ . 1]" 1
386 1 39 ASP H 1 53 VAL HA 3.371 . 4.792 4.928 4.840 5.133 0.341 10 0 "[ . 1]" 1
387 1 39 ASP H 1 54 PHE QB 3.398 . 4.842 4.197 3.727 4.710 . 0 0 "[ . 1]" 1
388 1 39 ASP HA 1 39 ASP HB3 2.795 . 3.772 2.423 2.369 2.471 . 0 0 "[ . 1]" 1
389 1 39 ASP HA 1 40 CYS H 2.814 . 3.804 2.488 2.335 2.630 . 0 0 "[ . 1]" 1
390 1 39 ASP HA 1 40 CYS HA 3.180 . 4.444 4.496 4.439 4.556 0.112 10 0 "[ . 1]" 1
391 1 39 ASP HA 1 54 PHE H 2.382 . 3.091 2.802 2.633 3.225 0.134 10 0 "[ . 1]" 1
392 1 39 ASP HA 1 54 PHE QB 2.673 . 3.566 3.697 3.555 3.911 0.345 10 0 "[ . 1]" 1
393 1 39 ASP HB2 1 53 VAL HA 2.833 . 3.836 3.197 2.288 4.428 0.592 6 1 "[ .+ 1]" 1
394 1 39 ASP HB3 1 53 VAL HA 3.049 . 4.211 2.807 2.069 3.984 . 0 0 "[ . 1]" 1
395 1 40 CYS H 1 40 CYS QB 2.722 . 3.447 3.030 2.669 3.258 . 0 0 "[ . 1]" 1
396 1 40 CYS H 1 41 VAL MG1 4.842 . 7.772 6.243 6.158 6.372 . 0 0 "[ . 1]" 1
397 1 40 CYS H 1 51 GLY HA2 3.510 . 5.050 4.983 4.604 5.111 0.061 1 0 "[ . 1]" 1
398 1 40 CYS H 1 52 GLY H 2.976 . 4.083 2.695 2.332 2.924 . 0 0 "[ . 1]" 1
399 1 40 CYS HA 1 40 CYS QB 2.532 . 3.333 2.190 2.153 2.261 . 0 0 "[ . 1]" 1
400 1 40 CYS HA 1 41 VAL H 2.740 . 3.679 2.322 2.165 2.472 . 0 0 "[ . 1]" 1
401 1 40 CYS QB 1 41 VAL H 3.744 . 4.469 2.735 2.240 3.444 . 0 0 "[ . 1]" 1
402 1 40 CYS QB 1 52 GLY H 4.246 . 6.500 3.660 2.231 4.511 . 0 0 "[ . 1]" 1
403 1 41 VAL H 1 41 VAL HB 3.396 . 4.838 2.560 2.464 2.620 . 0 0 "[ . 1]" 1
404 1 41 VAL H 1 41 VAL MG1 3.051 . 4.215 3.668 3.612 3.787 . 0 0 "[ . 1]" 1
405 1 41 VAL H 1 42 VAL HA 3.308 . 4.676 4.827 4.772 4.884 0.208 3 0 "[ . 1]" 1
406 1 41 VAL H 1 52 GLY H 3.570 . 5.163 4.746 4.307 4.969 . 0 0 "[ . 1]" 1
407 1 41 VAL HA 1 41 VAL HB 2.888 . 3.931 2.977 2.964 2.993 . 0 0 "[ . 1]" 1
408 1 41 VAL HA 1 41 VAL MG1 2.756 . 3.706 2.621 2.508 2.691 . 0 0 "[ . 1]" 1
409 1 41 VAL HA 1 42 VAL H 2.586 . 3.422 1.998 1.961 2.037 . 0 0 "[ . 1]" 1
410 1 41 VAL HA 1 43 ARG HD3 5.876 . 10.191 9.471 9.171 9.689 . 0 0 "[ . 1]" 1
411 1 41 VAL HA 1 50 TRP HB3 4.154 . 6.311 6.393 6.330 6.524 0.213 9 0 "[ . 1]" 1
412 1 41 VAL HA 1 50 TRP HD1 4.346 . 6.707 6.954 6.901 7.002 0.295 6 0 "[ . 1]" 1
413 1 41 VAL HB 1 41 VAL MG1 2.436 . 3.178 2.131 2.118 2.140 . 0 0 "[ . 1]" 1
414 1 41 VAL HB 1 42 VAL H 2.919 . 3.984 4.185 4.149 4.254 0.270 10 0 "[ . 1]" 1
415 1 41 VAL MG1 1 43 ARG HA 4.346 . 6.707 4.006 3.841 4.422 . 0 0 "[ . 1]" 1
416 1 42 VAL H 1 42 VAL HA 2.266 . 2.908 2.915 2.914 2.918 0.010 9 0 "[ . 1]" 1
417 1 42 VAL H 1 42 VAL HB 2.957 . 4.050 2.622 2.543 2.671 . 0 0 "[ . 1]" 1
418 1 42 VAL H 1 42 VAL MG1 2.812 . 3.801 2.817 2.741 2.867 . 0 0 "[ . 1]" 1
419 1 42 VAL H 1 42 VAL MG2 3.408 . 4.860 3.798 3.754 3.826 . 0 0 "[ . 1]" 1
420 1 42 VAL H 1 51 GLY HA2 4.690 . 7.440 3.043 2.746 3.229 . 0 0 "[ . 1]" 1
421 1 42 VAL HA 1 42 VAL MG2 2.459 . 3.215 2.144 2.122 2.165 . 0 0 "[ . 1]" 1
422 1 42 VAL HA 1 43 ARG H 2.890 . 3.934 2.186 2.146 2.224 . 0 0 "[ . 1]" 1
423 1 42 VAL HA 1 43 ARG HA 2.941 . 4.022 4.287 4.260 4.310 0.288 3 0 "[ . 1]" 1
424 1 42 VAL HA 1 49 GLN H 5.790 . 9.981 8.078 8.024 8.191 . 0 0 "[ . 1]" 1
425 1 42 VAL HB 1 42 VAL MG1 1.712 . 2.078 2.033 2.019 2.051 . 0 0 "[ . 1]" 1
426 1 42 VAL HB 1 42 VAL MG2 2.948 . 4.034 2.139 2.137 2.142 . 0 0 "[ . 1]" 1
427 1 42 VAL HB 1 43 ARG HD2 5.429 . 9.113 8.878 8.694 9.094 . 0 0 "[ . 1]" 1
428 1 42 VAL HB 1 49 GLN H 4.618 . 7.284 7.540 7.449 7.614 0.330 3 0 "[ . 1]" 1
429 1 42 VAL HB 1 50 TRP H 2.542 . 3.349 3.542 3.491 3.594 0.245 2 0 "[ . 1]" 1
430 1 42 VAL HB 1 51 GLY H 3.051 . 4.214 4.463 4.388 4.539 0.325 3 0 "[ . 1]" 1
431 1 42 VAL HB 1 51 GLY HA2 2.550 . 3.363 3.219 3.065 3.354 . 0 0 "[ . 1]" 1
432 1 42 VAL HB 1 52 GLY H 4.208 . 6.421 5.883 5.735 6.100 . 0 0 "[ . 1]" 1
433 1 42 VAL HB 1 90 LEU QB 3.683 . 5.378 5.335 5.160 5.504 0.126 7 0 "[ . 1]" 1
434 1 42 VAL MG1 1 43 ARG HA 3.694 . 5.400 3.042 2.960 3.125 . 0 0 "[ . 1]" 1
435 1 42 VAL MG1 1 48 GLN HB3 4.849 . 7.788 5.953 5.615 6.361 . 0 0 "[ . 1]" 1
436 1 42 VAL MG1 1 49 GLN H 4.012 . 6.024 4.555 4.491 4.642 . 0 0 "[ . 1]" 1
437 1 42 VAL MG1 1 50 TRP HA 2.406 . 3.129 3.243 3.226 3.267 0.138 1 0 "[ . 1]" 1
438 1 42 VAL MG1 1 51 GLY H 3.322 . 4.701 3.710 3.637 3.770 . 0 0 "[ . 1]" 1
439 1 42 VAL MG1 1 51 GLY HA2 2.780 . 3.746 3.814 3.758 3.862 0.116 6 0 "[ . 1]" 1
440 1 42 VAL MG1 1 52 GLY H 4.842 . 7.772 6.139 6.053 6.235 . 0 0 "[ . 1]" 1
441 1 42 VAL MG2 1 43 ARG H 2.937 . 4.015 3.047 2.981 3.097 . 0 0 "[ . 1]" 1
442 1 42 VAL MG2 1 43 ARG HA 3.304 . 4.668 4.404 4.302 4.514 . 0 0 "[ . 1]" 1
443 1 42 VAL MG2 1 43 ARG HB2 3.740 . 5.488 5.457 5.425 5.486 . 0 0 "[ . 1]" 1
444 1 42 VAL MG2 1 50 TRP HD1 3.074 . 4.255 3.772 3.625 3.860 . 0 0 "[ . 1]" 1
445 1 42 VAL MG2 1 51 GLY H 4.546 . 7.129 5.652 5.594 5.709 . 0 0 "[ . 1]" 1
446 1 43 ARG H 1 43 ARG HB2 2.532 . 3.334 3.128 3.103 3.172 . 0 0 "[ . 1]" 1
447 1 43 ARG H 1 43 ARG HD2 5.672 . 9.693 4.494 4.286 4.746 . 0 0 "[ . 1]" 1
448 1 43 ARG H 1 43 ARG HD3 3.377 . 4.802 4.671 4.395 4.924 0.122 3 0 "[ . 1]" 1
449 1 43 ARG H 1 48 GLN HA 5.873 . 10.184 8.686 8.570 8.906 . 0 0 "[ . 1]" 1
450 1 43 ARG HA 1 43 ARG HD2 3.049 . 4.211 4.383 4.286 4.471 0.260 10 0 "[ . 1]" 1
451 1 43 ARG HA 1 43 ARG HD3 2.982 . 4.093 3.949 3.780 4.182 0.089 3 0 "[ . 1]" 1
452 1 43 ARG HA 1 43 ARG HG2 1.922 . 2.384 2.491 2.421 2.539 0.155 8 0 "[ . 1]" 1
453 1 43 ARG HA 1 44 PHE H 2.602 . 3.448 2.085 2.044 2.122 . 0 0 "[ . 1]" 1
454 1 43 ARG HA 1 49 GLN HA 2.464 . 3.223 2.321 2.054 2.516 . 0 0 "[ . 1]" 1
455 1 43 ARG HA 1 50 TRP HD1 2.922 . 3.989 4.205 4.127 4.331 0.342 8 0 "[ . 1]" 1
456 1 43 ARG HB2 1 44 PHE QB 4.156 . 6.315 5.819 5.784 5.873 . 0 0 "[ . 1]" 1
457 1 43 ARG HD3 1 50 TRP HA 6.944 . 12.972 10.055 9.861 10.187 . 0 0 "[ . 1]" 1
458 1 43 ARG HG2 1 44 PHE QB 3.750 . 5.508 4.082 3.950 4.218 . 0 0 "[ . 1]" 1
459 1 43 ARG HG2 1 49 GLN H 4.174 . 6.352 5.632 5.275 6.058 . 0 0 "[ . 1]" 1
460 1 43 ARG HG3 1 44 PHE H 3.619 . 5.256 4.158 3.980 4.368 . 0 0 "[ . 1]" 1
461 1 43 ARG HG3 1 44 PHE QB 4.359 . 6.735 5.656 5.512 5.785 . 0 0 "[ . 1]" 1
462 1 44 PHE H 1 44 PHE HA 2.235 . 2.860 2.883 2.868 2.905 0.045 4 0 "[ . 1]" 1
463 1 44 PHE H 1 44 PHE QB 3.598 . 4.378 2.260 2.185 2.288 . 0 0 "[ . 1]" 1
464 1 44 PHE H 1 49 GLN QB 2.120 . 2.682 2.638 2.507 2.729 0.047 9 0 "[ . 1]" 1
465 1 44 PHE HA 1 44 PHE QB 3.027 . 3.697 2.353 2.268 2.441 . 0 0 "[ . 1]" 1
466 1 44 PHE HA 1 45 ALA MB 3.797 . 5.599 4.185 4.015 4.351 . 0 0 "[ . 1]" 1
467 1 44 PHE HA 1 46 GLY H 3.802 . 5.609 4.214 3.916 4.511 . 0 0 "[ . 1]" 1
468 1 44 PHE HA 1 49 GLN QB 3.567 . 5.158 5.270 5.167 5.335 0.177 10 0 "[ . 1]" 1
469 1 44 PHE QB 1 45 ALA H 3.075 . 4.257 3.399 3.244 3.627 . 0 0 "[ . 1]" 1
470 1 44 PHE QB 1 46 GLY H 5.548 . 9.395 3.148 2.685 3.775 . 0 0 "[ . 1]" 1
471 1 44 PHE QB 1 48 GLN H 3.658 . 4.650 2.716 1.939 3.025 0.046 1 0 "[ . 1]" 1
472 1 44 PHE QB 1 48 GLN HA 3.137 . 4.367 3.987 3.700 4.204 . 0 0 "[ . 1]" 1
473 1 44 PHE QB 1 48 GLN HB3 2.890 . 3.934 2.402 1.805 3.828 0.041 1 0 "[ . 1]" 1
474 1 44 PHE QB 1 49 GLN H 3.371 . 4.792 4.509 4.126 4.709 . 0 0 "[ . 1]" 1
475 1 44 PHE QB 1 50 TRP HD1 3.470 . 4.975 4.303 4.210 4.446 . 0 0 "[ . 1]" 1
476 1 45 ALA H 1 45 ALA MB 4.641 . 7.333 2.220 2.196 2.254 . 0 0 "[ . 1]" 1
477 1 45 ALA H 1 46 GLY H 3.015 . 4.152 2.807 2.736 2.971 . 0 0 "[ . 1]" 1
478 1 45 ALA H 1 47 GLY H 4.350 . 6.715 6.061 4.226 6.773 0.058 10 0 "[ . 1]" 1
479 1 45 ALA HA 1 45 ALA MB 1.770 . 2.162 2.101 2.093 2.108 . 0 0 "[ . 1]" 1
480 1 45 ALA MB 1 46 GLY H 3.553 . 5.131 2.851 2.745 3.096 . 0 0 "[ . 1]" 1
481 1 46 GLY H 1 47 GLY H 3.130 . 4.355 3.592 2.468 4.112 . 0 0 "[ . 1]" 1
482 1 46 GLY H 1 47 GLY HA3 6.202 . 11.011 5.358 4.658 5.940 . 0 0 "[ . 1]" 1
483 1 46 GLY H 1 48 GLN QG 7.097 . 13.393 5.420 4.346 6.065 . 0 0 "[ . 1]" 1
484 1 46 GLY HA3 1 47 GLY H 2.935 . 4.012 2.641 2.141 3.231 . 0 0 "[ . 1]" 1
485 1 46 GLY HA3 1 48 GLN QG 4.576 . 7.193 6.447 4.791 7.477 0.284 10 0 "[ . 1]" 1
486 1 48 GLN H 1 48 GLN QG 2.736 . 3.671 3.494 2.450 3.799 0.128 8 0 "[ . 1]" 1
487 1 48 GLN HA 1 48 GLN HB3 2.096 . 2.645 2.858 2.506 2.958 0.313 8 0 "[ . 1]" 1
488 1 48 GLN HA 1 48 GLN QG 2.391 . 3.106 2.704 2.508 3.242 0.136 6 0 "[ . 1]" 1
489 1 48 GLN HA 1 49 GLN HA 3.380 . 4.808 4.357 4.281 4.425 . 0 0 "[ . 1]" 1
490 1 48 GLN HA 1 50 TRP HD1 3.573 . 5.169 4.997 4.654 5.159 . 0 0 "[ . 1]" 1
491 1 48 GLN HA 1 50 TRP HE1 2.488 . 3.262 3.399 2.860 3.589 0.327 9 0 "[ . 1]" 1
492 1 48 GLN HB3 1 50 TRP HD1 4.256 . 6.521 5.568 5.415 5.855 . 0 0 "[ . 1]" 1
493 1 48 GLN QG 1 50 TRP HD1 2.495 . 3.273 3.266 3.099 3.438 0.165 1 0 "[ . 1]" 1
494 1 49 GLN H 1 49 GLN HA 2.961 . 4.057 2.873 2.830 2.915 . 0 0 "[ . 1]" 1
495 1 49 GLN H 1 49 GLN QB 2.685 . 3.586 2.794 2.356 3.299 . 0 0 "[ . 1]" 1
496 1 49 GLN H 1 50 TRP H 3.867 . 5.736 4.254 4.209 4.346 . 0 0 "[ . 1]" 1
497 1 49 GLN HA 1 49 GLN QB 1.892 . 2.340 2.201 2.153 2.242 . 0 0 "[ . 1]" 1
498 1 49 GLN HA 1 50 TRP H 2.728 . 3.658 2.172 2.125 2.234 . 0 0 "[ . 1]" 1
499 1 49 GLN HA 1 50 TRP HA 3.289 . 4.641 4.386 4.339 4.420 . 0 0 "[ . 1]" 1
500 1 49 GLN HA 1 50 TRP HD1 3.165 . 4.418 2.495 2.383 2.830 . 0 0 "[ . 1]" 1
501 1 49 GLN QB 1 50 TRP H 2.921 . 3.987 3.295 2.660 3.584 . 0 0 "[ . 1]" 1
502 1 50 TRP H 1 50 TRP HA 2.322 . 2.996 2.913 2.887 2.931 . 0 0 "[ . 1]" 1
503 1 50 TRP H 1 50 TRP HB2 3.491 . 5.014 2.982 2.915 3.099 . 0 0 "[ . 1]" 1
504 1 50 TRP H 1 50 TRP HB3 3.510 . 5.050 3.912 3.882 3.963 . 0 0 "[ . 1]" 1
505 1 50 TRP H 1 50 TRP HD1 4.145 . 6.292 2.681 2.514 2.820 . 0 0 "[ . 1]" 1
506 1 50 TRP HA 1 50 TRP HB2 2.701 . 3.613 2.990 2.984 2.994 . 0 0 "[ . 1]" 1
507 1 50 TRP HA 1 51 GLY H 2.999 . 4.123 2.528 2.505 2.569 . 0 0 "[ . 1]" 1
508 1 50 TRP HA 1 90 LEU QB 2.222 . 2.839 2.859 2.362 3.131 0.292 2 0 "[ . 1]" 1
509 1 50 TRP HB2 1 50 TRP HD1 2.578 . 3.409 2.835 2.791 2.885 . 0 0 "[ . 1]" 1
510 1 50 TRP HB2 1 51 GLY H 3.466 . 4.968 2.996 2.851 3.115 . 0 0 "[ . 1]" 1
511 1 50 TRP HB2 1 52 GLY H 4.105 . 6.211 6.480 6.367 6.529 0.318 3 0 "[ . 1]" 1
512 1 50 TRP HB3 1 51 GLY H 3.569 . 5.161 2.346 2.249 2.511 . 0 0 "[ . 1]" 1
513 1 50 TRP HB3 1 90 LEU QD 2.247 . 2.878 2.429 1.810 2.704 . 0 0 "[ . 1]" 1
514 1 51 GLY H 1 52 GLY H 3.176 . 4.437 4.275 4.208 4.312 . 0 0 "[ . 1]" 1
515 1 51 GLY HA2 1 52 GLY H 2.668 . 3.558 2.760 2.690 2.806 . 0 0 "[ . 1]" 1
516 1 52 GLY H 1 52 GLY HA2 2.827 . 3.826 2.888 2.825 2.908 . 0 0 "[ . 1]" 1
517 1 52 GLY H 1 53 VAL HA 3.169 . 4.424 4.571 4.496 4.608 0.184 3 0 "[ . 1]" 1
518 1 52 GLY H 1 53 VAL HB 3.387 . 4.821 4.886 4.796 5.154 0.333 6 0 "[ . 1]" 1
519 1 52 GLY HA2 1 53 VAL HB 2.804 . 3.787 3.928 3.788 3.997 0.210 9 0 "[ . 1]" 1
520 1 53 VAL H 1 54 PHE H 2.862 . 3.886 4.150 4.081 4.245 0.359 10 0 "[ . 1]" 1
521 1 53 VAL H 1 58 ILE MD 4.941 . 7.993 7.020 6.688 7.305 . 0 0 "[ . 1]" 1
522 1 53 VAL HA 1 55 TYR H 4.290 . 6.591 6.172 5.485 6.302 . 0 0 "[ . 1]" 1
523 1 53 VAL MG1 1 54 PHE H 2.875 . 3.909 3.661 2.635 3.972 0.063 3 0 "[ . 1]" 1
524 1 54 PHE H 1 54 PHE QB 3.224 . 3.955 2.471 2.425 2.542 . 0 0 "[ . 1]" 1
525 1 54 PHE H 1 55 TYR H 2.957 . 4.050 4.320 4.245 4.339 0.289 5 0 "[ . 1]" 1
526 1 54 PHE H 1 56 ALA H 3.268 . 4.603 4.916 4.793 5.471 0.868 10 1 "[ . +]" 1
527 1 54 PHE HA 1 55 TYR H 2.716 . 3.638 2.346 1.946 2.477 . 0 0 "[ . 1]" 1
528 1 54 PHE HA 1 57 GLU H 5.142 . 8.447 7.907 6.278 8.480 0.033 2 0 "[ . 1]" 1
529 1 54 PHE QB 1 56 ALA H 2.996 . 4.118 2.519 2.276 3.191 . 0 0 "[ . 1]" 1
530 1 54 PHE QB 1 58 ILE HG12 4.271 . 6.551 3.476 2.195 5.569 . 0 0 "[ . 1]" 1
531 1 55 TYR H 1 55 TYR HB2 3.303 . 4.667 3.022 2.299 3.751 . 0 0 "[ . 1]" 1
532 1 55 TYR H 1 55 TYR HD1 4.193 . 6.391 2.803 1.769 4.358 0.226 1 0 "[ . 1]" 1
533 1 55 TYR H 1 56 ALA H 3.382 . 4.812 2.273 1.964 2.474 . 0 0 "[ . 1]" 1
534 1 55 TYR H 1 56 ALA HA 3.787 . 5.579 4.850 4.552 4.962 . 0 0 "[ . 1]" 1
535 1 55 TYR H 1 56 ALA MB 3.137 . 4.367 3.963 3.874 4.149 . 0 0 "[ . 1]" 1
536 1 55 TYR HA 1 55 TYR HB2 2.111 . 2.668 2.709 2.372 2.987 0.319 7 0 "[ . 1]" 1
537 1 55 TYR HA 1 57 GLU H 4.044 . 6.088 6.576 6.416 6.917 0.829 10 3 "[ * . - +]" 1
538 1 55 TYR HA 1 57 GLU HG3 4.713 . 7.490 7.276 6.950 7.849 0.359 9 0 "[ . 1]" 1
539 1 55 TYR HB2 1 56 ALA H 3.428 . 4.897 3.845 2.534 4.419 . 0 0 "[ . 1]" 1
540 1 55 TYR HD1 1 56 ALA H 4.191 . 6.387 4.727 3.547 5.521 . 0 0 "[ . 1]" 1
541 1 55 TYR HD1 1 56 ALA MB 3.599 . 5.218 5.037 3.958 5.678 0.460 4 0 "[ . 1]" 1
542 1 56 ALA H 1 56 ALA MB 3.089 . 4.282 2.825 2.804 2.888 . 0 0 "[ . 1]" 1
543 1 56 ALA H 1 57 GLU H 2.921 . 3.987 4.179 4.097 4.223 0.236 3 0 "[ . 1]" 1
544 1 56 ALA H 1 57 GLU HB3 4.037 . 6.074 6.240 5.998 6.516 0.442 10 0 "[ . 1]" 1
545 1 56 ALA HA 1 56 ALA MB 2.073 . 2.610 2.113 2.104 2.121 . 0 0 "[ . 1]" 1
546 1 56 ALA HA 1 57 GLU H 3.130 . 4.355 2.209 2.092 2.337 . 0 0 "[ . 1]" 1
547 1 56 ALA MB 1 57 GLU H 2.981 . 4.092 2.486 2.283 2.791 . 0 0 "[ . 1]" 1
548 1 56 ALA MB 1 57 GLU HA 5.876 . 10.191 3.879 3.676 4.151 . 0 0 "[ . 1]" 1
549 1 57 GLU H 1 57 GLU HB2 3.879 . 5.760 4.041 3.844 4.142 . 0 0 "[ . 1]" 1
550 1 57 GLU H 1 57 GLU HB3 3.030 . 4.178 3.759 3.338 3.952 . 0 0 "[ . 1]" 1
551 1 57 GLU H 1 57 GLU HG2 3.166 . 4.419 2.882 2.260 3.698 . 0 0 "[ . 1]" 1
552 1 57 GLU H 1 57 GLU HG3 3.387 . 4.821 3.899 3.236 4.091 . 0 0 "[ . 1]" 1
553 1 57 GLU H 1 58 ILE H 3.542 . 5.110 3.545 3.053 3.764 . 0 0 "[ . 1]" 1
554 1 57 GLU HA 1 57 GLU HG2 3.151 . 4.392 3.161 2.928 3.804 . 0 0 "[ . 1]" 1
555 1 57 GLU HA 1 57 GLU HG3 2.959 . 4.053 3.869 3.705 3.933 . 0 0 "[ . 1]" 1
556 1 57 GLU HA 1 58 ILE H 2.532 . 3.333 3.466 3.382 3.498 0.165 1 0 "[ . 1]" 1
557 1 57 GLU HA 1 58 ILE MG 5.201 . 8.582 5.991 5.843 6.114 . 0 0 "[ . 1]" 1
558 1 57 GLU HB2 1 58 ILE H 2.761 . 3.714 2.519 1.916 3.294 . 0 0 "[ . 1]" 1
559 1 57 GLU HB2 1 58 ILE MD 3.654 . 5.323 3.070 2.523 3.584 . 0 0 "[ . 1]" 1
560 1 57 GLU HB2 1 60 SER HB3 3.511 . 5.052 5.205 4.917 5.381 0.329 3 0 "[ . 1]" 1
561 1 57 GLU HB3 1 58 ILE H 2.833 . 3.836 3.768 3.415 4.064 0.228 3 0 "[ . 1]" 1
562 1 57 GLU HB3 1 60 SER HB3 4.135 . 6.272 6.339 6.178 6.572 0.300 9 0 "[ . 1]" 1
563 1 57 GLU HG3 1 58 ILE H 3.371 . 4.792 2.852 1.662 3.638 0.288 9 0 "[ . 1]" 1
564 1 57 GLU HG3 1 58 ILE HG13 3.896 . 5.793 5.354 3.974 6.121 0.328 7 0 "[ . 1]" 1
565 1 58 ILE H 1 58 ILE MD 3.498 . 5.027 2.638 2.139 3.116 . 0 0 "[ . 1]" 1
566 1 58 ILE H 1 58 ILE HG12 3.133 . 4.360 3.192 1.835 4.192 0.071 6 0 "[ . 1]" 1
567 1 58 ILE H 1 58 ILE HG13 3.006 . 4.135 3.810 3.441 4.212 0.077 7 0 "[ . 1]" 1
568 1 58 ILE H 1 58 ILE MG 3.699 . 5.410 3.638 3.347 3.877 . 0 0 "[ . 1]" 1
569 1 58 ILE HA 1 58 ILE HB 2.872 . 3.903 2.925 2.802 3.014 . 0 0 "[ . 1]" 1
570 1 58 ILE HA 1 58 ILE MD 2.935 . 4.011 2.026 1.634 2.795 0.225 8 0 "[ . 1]" 1
571 1 58 ILE HA 1 58 ILE HG12 2.282 . 2.933 3.226 2.895 3.477 0.544 4 3 "[ +. - *1]" 1
572 1 58 ILE HA 1 58 ILE HG13 3.024 . 4.167 2.865 2.048 3.698 . 0 0 "[ . 1]" 1
573 1 58 ILE HA 1 58 ILE MG 3.038 . 4.191 2.750 2.440 3.040 . 0 0 "[ . 1]" 1
574 1 58 ILE HA 1 59 LYS H 3.372 . 4.793 2.367 2.215 2.567 . 0 0 "[ . 1]" 1
575 1 58 ILE HA 1 59 LYS HG2 3.071 . 4.250 4.146 3.863 4.366 0.116 6 0 "[ . 1]" 1
576 1 58 ILE HA 1 60 SER H 3.382 . 4.812 2.784 2.428 3.358 . 0 0 "[ . 1]" 1
577 1 58 ILE HA 1 60 SER HB2 3.687 . 5.386 4.931 4.494 5.518 0.132 6 0 "[ . 1]" 1
578 1 58 ILE HB 1 61 SER QB 4.961 . 8.038 3.801 3.641 4.089 . 0 0 "[ . 1]" 1
579 1 58 ILE MD 1 58 ILE HG12 4.719 . 7.503 2.112 2.101 2.118 . 0 0 "[ . 1]" 1
580 1 58 ILE MD 1 58 ILE HG13 2.225 . 2.844 2.113 2.095 2.121 . 0 0 "[ . 1]" 1
581 1 58 ILE MD 1 63 ALA HA 6.404 . 11.530 8.738 7.675 9.734 . 0 0 "[ . 1]" 1
582 1 58 ILE HG12 1 61 SER QB 8.274 . 16.830 3.267 2.114 4.463 . 0 0 "[ . 1]" 1
583 1 58 ILE HG12 1 79 LYS HB2 6.115 . 10.789 9.726 7.851 10.990 0.201 3 0 "[ . 1]" 1
584 1 58 ILE HG13 1 58 ILE MG 2.257 . 2.894 2.331 1.981 2.692 . 0 0 "[ . 1]" 1
585 1 58 ILE HG13 1 61 SER QB 3.294 . 4.650 2.762 2.084 3.795 . 0 0 "[ . 1]" 1
586 1 58 ILE HG13 1 62 CYS QB 5.308 . 8.829 6.139 4.813 7.485 . 0 0 "[ . 1]" 1
587 1 58 ILE MG 1 59 LYS H 3.849 . 5.701 3.813 3.585 3.973 . 0 0 "[ . 1]" 1
588 1 58 ILE MG 1 59 LYS HG2 4.366 . 6.749 5.090 4.860 5.294 . 0 0 "[ . 1]" 1
589 1 58 ILE MG 1 61 SER QB 2.395 . 3.112 1.592 1.279 1.730 0.636 6 1 "[ .+ 1]" 1
590 1 58 ILE MG 1 62 CYS HA 3.427 . 4.895 3.586 3.250 4.015 . 0 0 "[ . 1]" 1
591 1 58 ILE MG 1 62 CYS QB 3.223 . 4.522 3.392 2.584 4.075 . 0 0 "[ . 1]" 1
592 1 58 ILE MG 1 77 LEU HA 5.000 . 8.125 7.132 6.415 7.483 . 0 0 "[ . 1]" 1
593 1 59 LYS H 1 59 LYS HG2 3.069 . 4.246 2.044 1.843 2.260 0.049 3 0 "[ . 1]" 1
594 1 59 LYS H 1 59 LYS HG3 2.006 . 2.509 2.268 1.988 2.512 0.003 3 0 "[ . 1]" 1
595 1 59 LYS H 1 63 ALA MB 4.862 . 7.817 6.047 5.621 6.551 . 0 0 "[ . 1]" 1
596 1 59 LYS HA 1 59 LYS HB2 2.930 . 4.003 2.706 2.594 2.913 . 0 0 "[ . 1]" 1
597 1 59 LYS HA 1 62 CYS H 3.608 . 5.235 2.736 2.539 2.935 . 0 0 "[ . 1]" 1
598 1 59 LYS HB2 1 60 SER HB2 3.554 . 5.133 5.282 5.200 5.338 0.205 9 0 "[ . 1]" 1
599 1 59 LYS HG2 1 62 CYS HA 4.571 . 7.183 7.364 7.243 7.475 0.292 3 0 "[ . 1]" 1
600 1 59 LYS HG3 1 60 SER H 3.133 . 4.360 2.870 2.660 3.424 . 0 0 "[ . 1]" 1
601 1 59 LYS HG3 1 60 SER HB3 3.051 . 4.215 4.361 4.306 4.454 0.239 4 0 "[ . 1]" 1
602 1 60 SER H 1 60 SER HA 2.770 . 3.729 2.834 2.821 2.845 . 0 0 "[ . 1]" 1
603 1 60 SER H 1 60 SER HB2 3.356 . 4.764 2.790 2.581 3.240 . 0 0 "[ . 1]" 1
604 1 60 SER H 1 60 SER HB3 3.627 . 5.272 2.086 1.933 2.220 0.049 4 0 "[ . 1]" 1
605 1 60 SER H 1 62 CYS H 2.455 . 3.208 3.234 3.198 3.269 0.061 10 0 "[ . 1]" 1
606 1 60 SER H 1 63 ALA H 4.206 . 6.417 4.567 4.305 4.846 . 0 0 "[ . 1]" 1
607 1 60 SER HB2 1 63 ALA H 4.254 . 6.516 5.516 5.302 5.714 . 0 0 "[ . 1]" 1
608 1 60 SER HB2 1 63 ALA HA 4.600 . 7.245 7.568 7.446 7.686 0.441 6 0 "[ . 1]" 1
609 1 61 SER H 1 61 SER QB 3.103 . 4.307 2.358 2.261 2.414 . 0 0 "[ . 1]" 1
610 1 61 SER H 1 62 CYS H 3.285 . 4.634 2.349 2.246 2.406 . 0 0 "[ . 1]" 1
611 1 61 SER H 1 63 ALA HA 4.174 . 6.352 6.538 6.466 6.599 0.247 6 0 "[ . 1]" 1
612 1 61 SER QB 1 62 CYS HA 3.703 . 5.417 4.241 4.162 4.324 . 0 0 "[ . 1]" 1
613 1 61 SER QB 1 62 CYS QB 3.723 . 5.455 4.585 4.083 4.876 . 0 0 "[ . 1]" 1
614 1 61 SER QB 1 63 ALA H 3.796 . 5.597 4.340 4.260 4.402 . 0 0 "[ . 1]" 1
615 1 61 SER QB 1 63 ALA MB 4.586 . 7.214 5.271 5.038 5.467 . 0 0 "[ . 1]" 1
616 1 61 SER QB 1 64 LYS HG2 4.064 . 6.129 5.292 4.426 5.779 . 0 0 "[ . 1]" 1
617 1 61 SER QB 1 77 LEU QB 4.801 . 7.682 5.044 4.729 5.246 . 0 0 "[ . 1]" 1
618 1 61 SER QB 1 77 LEU QD 3.939 . 5.879 2.287 1.886 2.684 0.113 10 0 "[ . 1]" 1
619 1 62 CYS H 1 62 CYS HA 2.621 . 3.480 2.869 2.864 2.876 . 0 0 "[ . 1]" 1
620 1 62 CYS H 1 62 CYS QB 3.264 . 4.596 2.203 2.151 2.232 . 0 0 "[ . 1]" 1
621 1 62 CYS H 1 63 ALA H 2.804 . 3.787 2.180 2.071 2.332 . 0 0 "[ . 1]" 1
622 1 62 CYS H 1 63 ALA MB 3.634 . 5.285 3.845 3.730 4.035 . 0 0 "[ . 1]" 1
623 1 62 CYS H 1 64 LYS HB3 4.726 . 7.518 7.359 6.343 7.643 0.125 10 0 "[ . 1]" 1
624 1 62 CYS H 1 64 LYS HG2 3.886 . 5.774 5.403 4.677 5.882 0.108 2 0 "[ . 1]" 1
625 1 62 CYS HA 1 62 CYS QB 2.627 . 3.490 2.441 2.350 2.484 . 0 0 "[ . 1]" 1
626 1 62 CYS HA 1 63 ALA H 2.752 . 3.698 3.275 3.175 3.348 . 0 0 "[ . 1]" 1
627 1 62 CYS HA 1 65 VAL HB 6.118 . 10.797 10.787 10.051 11.088 0.291 7 0 "[ . 1]" 1
628 1 62 CYS QB 1 63 ALA H 2.739 . 3.677 2.968 2.861 3.095 . 0 0 "[ . 1]" 1
629 1 62 CYS QB 1 63 ALA HA 3.211 . 4.500 4.055 3.842 4.369 . 0 0 "[ . 1]" 1
630 1 62 CYS QB 1 63 ALA MB 3.350 . 4.752 3.854 3.575 4.106 . 0 0 "[ . 1]" 1
631 1 63 ALA H 1 63 ALA MB 2.732 . 3.665 2.235 2.076 2.360 . 0 0 "[ . 1]" 1
632 1 63 ALA H 1 64 LYS H 3.849 . 5.701 4.394 4.228 4.494 . 0 0 "[ . 1]" 1
633 1 63 ALA HA 1 64 LYS H 3.290 . 4.643 2.185 2.079 2.258 . 0 0 "[ . 1]" 1
634 1 63 ALA HA 1 64 LYS HB3 3.667 . 5.348 5.385 4.970 5.603 0.255 4 0 "[ . 1]" 1
635 1 63 ALA HA 1 64 LYS HD2 3.870 . 5.742 5.835 5.344 6.409 0.667 7 2 "[ . +- 1]" 1
636 1 63 ALA HA 1 65 VAL QG 7.426 . 14.319 5.084 4.500 5.550 . 0 0 "[ . 1]" 1
637 1 63 ALA MB 1 64 LYS H 3.255 . 4.580 3.206 3.114 3.288 . 0 0 "[ . 1]" 1
638 1 64 LYS H 1 64 LYS HG2 3.617 . 5.252 3.556 3.001 3.918 . 0 0 "[ . 1]" 1
639 1 64 LYS H 1 64 LYS HG3 4.911 . 7.926 2.653 1.994 4.198 . 0 0 "[ . 1]" 1
640 1 64 LYS H 1 76 THR HB 4.749 . 7.568 7.693 7.625 7.760 0.192 7 0 "[ . 1]" 1
641 1 64 LYS HA 1 64 LYS HB3 2.994 . 4.114 2.278 2.204 2.443 . 0 0 "[ . 1]" 1
642 1 64 LYS HA 1 64 LYS HG2 3.344 . 4.742 3.258 2.725 3.832 . 0 0 "[ . 1]" 1
643 1 64 LYS HA 1 64 LYS HG3 2.525 . 3.322 3.413 3.110 3.824 0.502 4 1 "[ +. 1]" 1
644 1 64 LYS HA 1 65 VAL H 2.664 . 3.551 2.160 2.093 2.208 . 0 0 "[ . 1]" 1
645 1 64 LYS HA 1 77 LEU QD 3.040 . 4.195 3.489 3.314 3.836 . 0 0 "[ . 1]" 1
646 1 64 LYS HB3 1 64 LYS HD2 2.549 . 3.361 2.951 2.347 3.814 0.453 9 0 "[ . 1]" 1
647 1 64 LYS HB3 1 65 VAL H 2.505 . 3.289 3.436 3.221 3.991 0.702 8 1 "[ . + 1]" 1
648 1 64 LYS HB3 1 76 THR HB 4.625 . 7.299 7.250 6.863 7.464 0.165 4 0 "[ . 1]" 1
649 1 64 LYS HG2 1 65 VAL H 3.775 . 5.556 5.157 4.854 5.616 0.060 8 0 "[ . 1]" 1
650 1 64 LYS HG2 1 66 GLN HA 5.662 . 9.669 8.769 8.260 9.070 . 0 0 "[ . 1]" 1
651 1 64 LYS HG3 1 65 VAL H 3.454 . 4.945 5.150 4.893 5.589 0.644 4 2 "[ -+. 1]" 1
652 1 64 LYS HG3 1 77 LEU HA 4.116 . 6.234 6.043 5.548 6.327 0.093 6 0 "[ . 1]" 1
653 1 65 VAL H 1 65 VAL HB 2.551 . 3.365 2.867 2.702 3.381 0.016 8 0 "[ . 1]" 1
654 1 65 VAL HA 1 66 GLN QG 4.504 . 7.040 5.734 5.534 5.817 . 0 0 "[ . 1]" 1
655 1 65 VAL HA 1 75 LEU H 4.679 . 7.416 7.893 7.807 8.126 0.710 10 2 "[ - +]" 1
656 1 65 VAL HA 1 75 LEU HA 3.532 . 5.091 5.121 4.933 5.328 0.237 10 0 "[ . 1]" 1
657 1 65 VAL QG 1 66 GLN H 1.795 . 2.198 2.187 2.163 2.219 0.021 1 0 "[ . 1]" 1
658 1 65 VAL QG 1 76 THR H 3.143 . 4.378 3.688 3.028 3.832 . 0 0 "[ . 1]" 1
659 1 65 VAL QG 1 76 THR HA 6.069 . 10.673 5.030 4.356 5.275 . 0 0 "[ . 1]" 1
660 1 66 GLN H 1 66 GLN QB 2.020 . 2.530 2.517 2.438 2.556 0.026 8 0 "[ . 1]" 1
661 1 66 GLN HA 1 66 GLN QB 3.054 . 4.211 2.290 2.191 2.503 . 0 0 "[ . 1]" 1
662 1 66 GLN HA 1 66 GLN QG 3.727 . 5.463 2.587 2.304 2.773 . 0 0 "[ . 1]" 1
663 1 66 GLN HA 1 67 THR H 2.703 . 3.616 2.155 2.123 2.199 . 0 0 "[ . 1]" 1
664 1 66 GLN HA 1 76 THR MG 3.403 . 4.850 4.651 4.608 4.699 . 0 0 "[ . 1]" 1
665 1 66 GLN QB 1 74 HIS QB 3.491 . 5.015 4.499 4.342 4.761 . 0 0 "[ . 1]" 1
666 1 66 GLN QG 1 73 LEU H 4.726 . 7.518 5.813 5.414 6.242 . 0 0 "[ . 1]" 1
667 1 66 GLN QG 1 74 HIS H 3.025 . 4.169 2.354 2.015 2.849 . 0 0 "[ . 1]" 1
668 1 66 GLN QG 1 74 HIS QB 2.706 . 3.621 3.546 3.434 3.622 0.001 10 0 "[ . 1]" 1
669 1 67 THR H 1 67 THR HB 2.870 . 3.900 2.616 2.495 2.746 . 0 0 "[ . 1]" 1
670 1 67 THR H 1 73 LEU HA 3.035 . 4.187 3.970 3.809 4.204 0.017 8 0 "[ . 1]" 1
671 1 67 THR HA 1 67 THR HB 2.645 . 3.519 3.028 3.021 3.034 . 0 0 "[ . 1]" 1
672 1 67 THR HA 1 67 THR MG 2.930 . 4.003 2.351 2.290 2.417 . 0 0 "[ . 1]" 1
673 1 67 THR HA 1 68 ARG H 2.915 . 3.977 2.183 2.142 2.228 . 0 0 "[ . 1]" 1
674 1 67 THR HA 1 69 LYS H 5.556 . 9.415 6.126 6.049 6.251 . 0 0 "[ . 1]" 1
675 1 67 THR HB 1 67 THR MG 2.087 . 2.631 2.139 2.136 2.143 . 0 0 "[ . 1]" 1
676 1 67 THR HB 1 68 ARG HA 4.886 . 7.870 4.393 4.164 4.579 . 0 0 "[ . 1]" 1
677 1 67 THR HB 1 73 LEU H 3.726 . 5.462 5.695 5.584 5.756 0.294 8 0 "[ . 1]" 1
678 1 67 THR MG 1 68 ARG H 3.456 . 4.949 2.816 2.709 2.898 . 0 0 "[ . 1]" 1
679 1 67 THR MG 1 68 ARG HA 2.770 . 3.729 3.328 3.227 3.548 . 0 0 "[ . 1]" 1
680 1 68 ARG H 1 68 ARG HB2 3.466 . 4.968 3.895 3.844 3.956 . 0 0 "[ . 1]" 1
681 1 68 ARG H 1 68 ARG QG 2.939 . 4.018 2.992 2.378 3.453 . 0 0 "[ . 1]" 1
682 1 68 ARG HA 1 68 ARG HB2 1.867 . 2.303 2.399 2.327 2.530 0.227 10 0 "[ . 1]" 1
683 1 68 ARG HA 1 69 LYS QG 2.549 . 3.361 3.418 3.153 3.503 0.142 9 0 "[ . 1]" 1
684 1 68 ARG HA 1 71 SER H 4.542 . 7.121 6.448 6.200 6.663 . 0 0 "[ . 1]" 1
685 1 68 ARG HA 1 74 HIS QB 3.739 . 5.486 5.356 5.151 5.467 . 0 0 "[ . 1]" 1
686 1 68 ARG HB2 1 71 SER HB2 6.191 . 10.981 9.309 8.577 9.746 . 0 0 "[ . 1]" 1
687 1 69 LYS H 1 69 LYS QG 3.371 . 4.792 2.573 2.291 2.768 . 0 0 "[ . 1]" 1
688 1 69 LYS QG 1 70 GLY QA 2.679 . 3.576 3.009 2.798 3.524 . 0 0 "[ . 1]" 1
689 1 70 GLY H 1 71 SER H 3.290 . 4.643 3.596 3.329 3.888 . 0 0 "[ . 1]" 1
690 1 70 GLY QA 1 71 SER H 1.638 . 1.973 2.066 2.047 2.093 0.120 8 0 "[ . 1]" 1
691 1 71 SER H 1 72 LEU H 3.030 . 4.178 2.512 2.448 2.647 . 0 0 "[ . 1]" 1
692 1 71 SER HA 1 71 SER HB2 2.845 . 3.857 2.747 2.492 3.032 . 0 0 "[ . 1]" 1
693 1 71 SER HA 1 73 LEU QD 3.285 . 4.633 3.954 3.694 4.372 . 0 0 "[ . 1]" 1
694 1 72 LEU H 1 72 LEU HB3 2.520 . 3.314 3.074 2.673 3.513 0.199 10 0 "[ . 1]" 1
695 1 72 LEU H 1 73 LEU QD 3.118 . 4.333 3.384 3.084 3.845 . 0 0 "[ . 1]" 1
696 1 72 LEU HA 1 72 LEU HB3 2.438 . 3.181 2.733 2.362 3.019 . 0 0 "[ . 1]" 1
697 1 72 LEU HA 1 73 LEU H 3.103 . 4.307 2.096 2.067 2.166 . 0 0 "[ . 1]" 1
698 1 72 LEU QD 1 73 LEU HA 3.344 . 4.742 3.656 3.131 4.346 . 0 0 "[ . 1]" 1
699 1 73 LEU H 1 73 LEU HB2 2.050 . 2.575 2.520 2.399 2.699 0.124 4 0 "[ . 1]" 1
700 1 73 LEU H 1 73 LEU HG 3.083 . 4.271 4.106 2.611 4.383 0.112 5 0 "[ . 1]" 1
701 1 74 HIS H 1 74 HIS QB 3.346 . 4.745 2.322 2.215 2.443 . 0 0 "[ . 1]" 1
702 1 74 HIS HA 1 74 HIS QB 2.169 . 2.757 2.451 2.323 2.540 . 0 0 "[ . 1]" 1
703 1 74 HIS HA 1 75 LEU H 2.872 . 3.903 2.281 2.240 2.305 . 0 0 "[ . 1]" 1
704 1 75 LEU H 1 75 LEU HB3 4.241 . 6.489 2.710 2.526 2.825 . 0 0 "[ . 1]" 1
705 1 75 LEU H 1 75 LEU QD 3.731 . 5.465 3.761 3.640 3.871 . 0 0 "[ . 1]" 1
706 1 75 LEU H 1 77 LEU QB 4.228 . 6.463 6.054 5.723 6.296 . 0 0 "[ . 1]" 1
707 1 75 LEU H 1 77 LEU QD 5.231 . 8.651 6.549 6.063 6.787 . 0 0 "[ . 1]" 1
708 1 75 LEU HA 1 75 LEU QD . . 4.076 2.000 1.820 2.550 0.048 9 0 "[ . 1]" 1
709 1 75 LEU HA 1 76 THR H 2.392 . 3.107 2.123 2.084 2.164 . 0 0 "[ . 1]" 1
710 1 75 LEU HA 1 77 LEU QB 4.534 . 7.104 5.335 4.975 5.707 . 0 0 "[ . 1]" 1
711 1 75 LEU HB3 1 75 LEU QD 2.726 . 3.655 2.205 2.106 2.269 . 0 0 "[ . 1]" 1
712 1 75 LEU HB3 1 76 THR H 3.442 . 4.923 4.113 4.052 4.169 . 0 0 "[ . 1]" 1
713 1 75 LEU QD 1 77 LEU HA 4.194 . 6.392 3.265 2.708 4.062 . 0 0 "[ . 1]" 1
714 1 75 LEU QD 1 77 LEU QB 3.211 . 3.927 2.228 1.789 2.772 0.133 4 0 "[ . 1]" 1
715 1 76 THR H 1 76 THR HB 3.419 . 4.881 3.551 3.436 3.620 . 0 0 "[ . 1]" 1
716 1 76 THR H 1 76 THR MG 3.083 . 4.271 2.979 2.783 3.201 . 0 0 "[ . 1]" 1
717 1 76 THR H 1 77 LEU H 3.441 . 4.921 4.261 4.165 4.349 . 0 0 "[ . 1]" 1
718 1 76 THR HA 1 76 THR MG 2.922 . 3.989 2.210 2.134 2.273 . 0 0 "[ . 1]" 1
719 1 76 THR HA 1 77 LEU H 2.135 . 2.705 2.101 2.040 2.151 . 0 0 "[ . 1]" 1
720 1 76 THR HB 1 77 LEU HA 3.366 . 4.782 4.626 4.498 4.803 0.021 6 0 "[ . 1]" 1
721 1 77 LEU H 1 77 LEU QB 3.561 . 5.147 2.309 2.211 2.414 . 0 0 "[ . 1]" 1
722 1 77 LEU H 1 77 LEU QD 3.398 . 4.842 3.737 3.586 3.816 . 0 0 "[ . 1]" 1
723 1 77 LEU HA 1 77 LEU QD 2.939 . 4.019 1.863 1.524 2.419 0.335 3 0 "[ . 1]" 1
724 1 77 LEU QB 1 77 LEU QD 3.173 . 4.333 1.924 1.804 2.015 0.111 8 0 "[ . 1]" 1
725 1 77 LEU QD 1 80 LYS HA 4.620 . 7.288 4.731 4.199 6.473 . 0 0 "[ . 1]" 1
726 1 77 LEU QD 1 80 LYS HB3 5.151 . 8.468 3.726 2.727 5.563 . 0 0 "[ . 1]" 1
727 1 79 LYS H 1 79 LYS HA 2.176 . 2.768 2.787 2.752 2.874 0.106 6 0 "[ . 1]" 1
728 1 79 LYS H 1 79 LYS HB2 3.281 . 4.626 3.011 2.158 3.620 . 0 0 "[ . 1]" 1
729 1 79 LYS HA 1 80 LYS H 1.705 . 2.068 2.090 2.066 2.137 0.069 6 0 "[ . 1]" 1
730 1 80 LYS H 1 80 LYS HB3 2.401 . 3.121 3.066 2.766 3.569 0.448 2 0 "[ . 1]" 1
731 1 80 LYS H 1 80 LYS QG 2.336 . 3.018 2.020 1.685 2.618 . 0 0 "[ . 1]" 1
732 1 80 LYS QG 1 81 VAL H 2.461 . 3.218 2.428 1.381 3.209 0.323 10 0 "[ . 1]" 1
733 1 81 VAL HA 1 82 PRO HA 3.077 . 4.261 4.422 4.375 4.455 0.194 10 0 "[ . 1]" 1
734 1 82 PRO CG 1 83 MET H 3.251 . 4.572 4.553 4.413 4.745 0.173 4 0 "[ . 1]" 1
735 1 82 PRO HA 1 82 PRO HG2 2.697 . 3.606 3.901 3.772 4.069 0.463 3 0 "[ . 1]" 1
736 1 82 PRO HG2 1 83 MET HA 4.917 . 7.939 6.312 5.507 7.166 . 0 0 "[ . 1]" 1
737 1 83 MET H 1 83 MET HA 2.877 . 3.912 2.257 2.232 2.279 . 0 0 "[ . 1]" 1
738 1 83 MET H 1 83 MET HB2 3.317 . 4.692 4.008 3.952 4.052 . 0 0 "[ . 1]" 1
739 1 83 MET H 1 83 MET HB3 3.156 . 4.401 3.239 3.132 3.299 . 0 0 "[ . 1]" 1
740 1 83 MET H 1 84 LEU H 3.351 . 4.755 2.418 2.202 2.539 . 0 0 "[ . 1]" 1
741 1 83 MET H 1 84 LEU QB 3.216 . 4.509 4.475 4.245 4.597 0.088 3 0 "[ . 1]" 1
742 1 83 MET H 1 86 TRP HD1 4.568 . 7.176 7.273 7.153 7.423 0.247 8 0 "[ . 1]" 1
743 1 83 MET HA 1 83 MET HB2 2.740 . 3.679 2.307 2.280 2.366 . 0 0 "[ . 1]" 1
744 1 83 MET HA 1 83 MET HB3 2.131 . 2.698 2.610 2.505 2.670 . 0 0 "[ . 1]" 1
745 1 83 MET HA 1 83 MET HG2 2.857 . 3.877 3.820 3.753 3.944 0.067 6 0 "[ . 1]" 1
746 1 83 MET HA 1 84 LEU H 3.651 . 5.318 3.022 2.790 3.121 . 0 0 "[ . 1]" 1
747 1 83 MET HA 1 84 LEU HA 3.248 . 4.567 4.503 4.384 4.625 0.058 6 0 "[ . 1]" 1
748 1 83 MET HG2 1 84 LEU H 3.637 . 5.290 3.844 3.515 4.207 . 0 0 "[ . 1]" 1
749 1 83 MET HG2 1 84 LEU QB 3.098 . 4.298 4.252 3.721 4.843 0.545 6 1 "[ .+ 1]" 1
750 1 84 LEU H 1 84 LEU QB 2.846 . 3.858 2.432 2.181 2.763 . 0 0 "[ . 1]" 1
751 1 84 LEU H 1 85 THR MG 3.212 . 4.502 4.403 4.228 4.634 0.132 9 0 "[ . 1]" 1
752 1 84 LEU H 1 89 LEU H 7.187 . 13.644 12.642 11.813 13.490 . 0 0 "[ . 1]" 1
753 1 84 LEU HA 1 84 LEU QB 2.548 . 2.803 2.252 2.110 2.486 . 0 0 "[ . 1]" 1
754 1 84 LEU HA 1 85 THR MG 2.476 . 3.243 2.864 2.788 3.003 . 0 0 "[ . 1]" 1
755 1 84 LEU QB 1 85 THR MG 3.223 . 4.522 4.216 4.105 4.283 . 0 0 "[ . 1]" 1
756 1 84 LEU QB 1 86 TRP HD1 4.210 . 6.425 4.673 3.185 6.179 . 0 0 "[ . 1]" 1
757 1 85 THR H 1 85 THR MG 1.800 . 2.205 2.133 2.010 2.249 0.044 6 0 "[ . 1]" 1
758 1 85 THR H 1 86 TRP H 3.410 . 4.864 4.328 4.078 4.405 . 0 0 "[ . 1]" 1
759 1 85 THR HA 1 85 THR MG 2.099 . 2.649 2.380 2.330 2.438 . 0 0 "[ . 1]" 1
760 1 85 THR HA 1 86 TRP H 2.845 . 3.857 2.101 2.058 2.123 . 0 0 "[ . 1]" 1
761 1 85 THR HA 1 86 TRP HD1 3.913 . 5.827 4.835 3.538 5.587 . 0 0 "[ . 1]" 1
762 1 85 THR HA 1 88 SER HA 8.806 . 18.499 8.222 7.136 8.718 . 0 0 "[ . 1]" 1
763 1 85 THR MG 1 86 TRP H 3.303 . 4.667 4.071 3.974 4.158 . 0 0 "[ . 1]" 1
764 1 85 THR MG 1 86 TRP HE3 5.018 . 8.166 6.050 5.046 7.477 . 0 0 "[ . 1]" 1
765 1 86 TRP H 1 86 TRP HB3 3.424 . 4.889 3.546 3.292 3.620 . 0 0 "[ . 1]" 1
766 1 86 TRP H 1 86 TRP HD1 3.247 . 4.565 3.653 1.810 4.267 0.119 8 0 "[ . 1]" 1
767 1 86 TRP H 1 86 TRP HE3 3.479 . 4.992 3.109 2.357 4.913 . 0 0 "[ . 1]" 1
768 1 86 TRP H 1 86 TRP HZ2 3.552 . 5.129 5.269 5.199 5.570 0.441 8 0 "[ . 1]" 1
769 1 86 TRP H 1 87 PRO HA 4.018 . 6.036 5.520 5.222 6.044 0.008 9 0 "[ . 1]" 1
770 1 86 TRP H 1 87 PRO HD2 3.435 . 4.910 4.923 4.579 5.375 0.465 4 0 "[ . 1]" 1
771 1 86 TRP H 1 89 LEU H 4.678 . 7.413 7.547 7.418 7.688 0.275 10 0 "[ . 1]" 1
772 1 86 TRP HA 1 86 TRP HB3 2.902 . 3.955 2.292 2.252 2.345 . 0 0 "[ . 1]" 1
773 1 86 TRP HA 1 86 TRP HD1 2.623 . 3.483 3.393 3.198 3.835 0.352 8 0 "[ . 1]" 1
774 1 86 TRP HA 1 86 TRP HZ2 4.863 . 7.820 7.213 6.979 7.640 . 0 0 "[ . 1]" 1
775 1 86 TRP HB3 1 87 PRO HD2 2.316 . 2.986 2.811 1.853 3.191 0.205 8 0 "[ . 1]" 1
776 1 86 TRP HD1 1 87 PRO HG2 4.259 . 6.527 6.662 6.318 7.214 0.687 4 2 "[ +.- 1]" 1
777 1 87 PRO HA 1 87 PRO HB2 2.529 . 3.329 2.885 2.744 3.008 . 0 0 "[ . 1]" 1
778 1 87 PRO HA 1 87 PRO HD2 2.873 . 3.905 3.940 3.693 4.061 0.156 8 0 "[ . 1]" 1
779 1 87 PRO HB2 1 87 PRO HD2 2.935 . 4.011 3.508 2.859 4.057 0.046 10 0 "[ . 1]" 1
780 1 88 SER H 1 88 SER HB2 3.040 . 4.195 3.299 2.956 3.846 . 0 0 "[ . 1]" 1
781 1 88 SER H 1 88 SER HB3 2.500 . 3.281 3.336 2.909 3.963 0.682 2 3 "[*+ .- 1]" 1
782 1 88 SER H 1 89 LEU H 2.925 . 3.994 4.239 4.169 4.279 0.285 3 0 "[ . 1]" 1
783 1 88 SER HA 1 89 LEU H 3.086 . 4.276 2.405 2.222 2.574 . 0 0 "[ . 1]" 1
784 1 89 LEU H 1 89 LEU HB3 3.069 . 4.246 3.146 2.597 3.635 . 0 0 "[ . 1]" 1
785 1 89 LEU H 1 89 LEU MD1 3.387 . 4.821 3.253 1.807 4.305 0.146 3 0 "[ . 1]" 1
786 1 89 LEU H 1 89 LEU MD2 3.322 . 4.701 3.254 1.442 4.306 0.501 10 1 "[ . +]" 1
787 1 89 LEU HA 1 89 LEU MD1 2.154 . 2.734 2.679 1.798 3.732 0.998 2 2 "[ + - 1]" 1
788 1 89 LEU HA 1 89 LEU MD2 3.211 . 4.500 2.909 1.808 3.757 0.114 9 0 "[ . 1]" 1
789 1 89 LEU HA 1 90 LEU H 3.802 . 5.609 3.502 3.437 3.562 . 0 0 "[ . 1]" 1
790 1 89 LEU HB3 1 89 LEU MD2 3.544 . 5.114 2.852 2.304 3.205 . 0 0 "[ . 1]" 1
791 1 89 LEU HB3 1 90 LEU H 4.566 . 7.173 2.895 1.944 3.923 0.015 1 0 "[ . 1]" 1
792 1 89 LEU HB3 1 90 LEU QD 3.636 . 5.288 3.451 1.713 5.614 0.326 10 0 "[ . 1]" 1
793 1 89 LEU MD1 1 89 LEU MD2 3.083 . 4.271 2.083 2.070 2.093 . 0 0 "[ . 1]" 1
794 1 89 LEU MD1 1 90 LEU H 2.932 . 4.007 3.971 3.679 4.536 0.529 5 1 "[ + 1]" 1
795 1 89 LEU MD2 1 89 LEU HG 4.092 . 6.185 2.125 2.118 2.127 . 0 0 "[ . 1]" 1
796 1 89 LEU MD2 1 90 LEU H 3.496 . 5.024 3.836 2.843 4.590 . 0 0 "[ . 1]" 1
797 1 90 LEU H 1 90 LEU HA 2.926 . 3.996 2.919 2.910 2.930 . 0 0 "[ . 1]" 1
798 1 90 LEU H 1 90 LEU QB 2.612 . 3.465 2.424 2.153 2.779 . 0 0 "[ . 1]" 1
799 1 90 LEU H 1 90 LEU QD 3.387 . 4.152 2.967 1.887 3.715 0.066 1 0 "[ . 1]" 1
800 1 90 LEU H 1 90 LEU HG 3.149 . 4.389 3.856 2.471 4.583 0.194 6 0 "[ . 1]" 1
801 1 90 LEU H 1 91 VAL H 4.003 . 6.006 4.330 4.110 4.459 . 0 0 "[ . 1]" 1
802 1 90 LEU H 1 91 VAL HA 3.346 . 4.745 4.891 4.715 5.060 0.315 6 0 "[ . 1]" 1
803 1 90 LEU H 1 91 VAL MG2 4.110 . 6.222 4.014 3.214 5.166 . 0 0 "[ . 1]" 1
804 1 90 LEU HA 1 90 LEU QD 2.948 . 4.034 2.466 1.953 3.385 . 0 0 "[ . 1]" 1
805 1 90 LEU HA 1 90 LEU HG 2.789 . 3.761 3.437 2.755 3.767 0.006 9 0 "[ . 1]" 1
806 1 90 LEU HA 1 91 VAL H 3.008 . 4.139 2.172 2.122 2.400 . 0 0 "[ . 1]" 1
807 1 90 LEU HA 1 91 VAL MG2 3.089 . 4.282 3.337 3.105 3.969 . 0 0 "[ . 1]" 1
808 1 90 LEU QB 1 90 LEU QD 1.956 . 2.434 1.888 1.752 2.031 . 0 0 "[ . 1]" 1
809 1 90 LEU QD 1 92 GLU HA 4.060 . 6.120 4.990 4.063 5.741 . 0 0 "[ . 1]" 1
810 1 91 VAL H 1 91 VAL HB 2.717 . 3.639 2.822 2.646 3.108 . 0 0 "[ . 1]" 1
811 1 91 VAL H 1 91 VAL MG2 4.791 . 7.660 2.569 2.072 3.286 . 0 0 "[ . 1]" 1
812 1 91 VAL H 1 92 GLU QB 2.712 . 3.631 3.597 3.273 4.533 0.902 6 1 "[ .+ 1]" 1
813 1 91 VAL HA 1 91 VAL MG1 2.157 . 2.738 2.318 2.240 2.407 . 0 0 "[ . 1]" 1
814 1 91 VAL HA 1 92 GLU H 2.495 . 3.273 3.157 2.351 3.460 0.187 6 0 "[ . 1]" 1
815 1 91 VAL HB 1 92 GLU HA 3.083 . 4.271 3.934 3.563 4.419 0.148 9 0 "[ . 1]" 1
816 1 91 VAL HB 1 92 GLU QB 3.111 . 4.321 4.186 3.199 4.473 0.152 10 0 "[ . 1]" 1
817 1 91 VAL MG1 1 92 GLU H 3.130 . 4.355 3.012 2.130 4.090 . 0 0 "[ . 1]" 1
818 1 92 GLU H 1 92 GLU QB 2.719 . 3.643 2.833 2.605 2.959 . 0 0 "[ . 1]" 1
819 1 92 GLU HA 1 92 GLU QB 2.025 . 2.538 2.345 2.150 2.446 . 0 0 "[ . 1]" 1
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