NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
386955 |
1m30   |
cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1m30
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 750
_Distance_constraint_stats_list.Viol_count 1701
_Distance_constraint_stats_list.Viol_total 4268.594
_Distance_constraint_stats_list.Viol_max 0.725
_Distance_constraint_stats_list.Viol_rms 0.0524
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0142
_Distance_constraint_stats_list.Viol_average_violations_only 0.1255
_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 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 GLU 7.526 0.581 15 1 "[ . 1 + 2]"
1 3 TYR 12.016 0.402 15 0 "[ . 1 . 2]"
1 4 VAL 15.471 0.718 13 2 "[ .- 1 + . 2]"
1 5 ARG 27.649 0.718 13 3 "[ .* 1 + . - 2]"
1 6 ALA 14.037 0.725 10 4 "[ *. + . * -]"
1 7 LEU 2.188 0.267 6 0 "[ . 1 . 2]"
1 8 PHE 11.683 0.292 20 0 "[ . 1 . 2]"
1 9 ASP 21.623 0.548 11 2 "[ -. 1+ . 2]"
1 10 PHE 20.427 0.513 18 1 "[ . 1 . + 2]"
1 11 ASN 9.705 0.454 3 0 "[ . 1 . 2]"
1 12 GLY 1.442 0.305 16 0 "[ . 1 . 2]"
1 13 ASN 4.389 0.350 18 0 "[ . 1 . 2]"
1 14 ASP 15.798 0.350 18 0 "[ . 1 . 2]"
1 15 GLU 3.415 0.325 20 0 "[ . 1 . 2]"
1 16 GLU 1.671 0.130 13 0 "[ . 1 . 2]"
1 17 ASP 5.629 0.343 2 0 "[ . 1 . 2]"
1 18 LEU 8.115 0.411 18 0 "[ . 1 . 2]"
1 19 PRO 3.625 0.282 16 0 "[ . 1 . 2]"
1 20 PHE 16.360 0.411 18 0 "[ . 1 . 2]"
1 21 LYS 5.201 0.501 12 1 "[ . 1 + . 2]"
1 22 LYS 14.471 0.501 12 1 "[ . 1 + . 2]"
1 23 GLY 15.930 0.725 10 4 "[ *. + . * -]"
1 24 ASP 9.219 0.351 20 0 "[ . 1 . 2]"
1 25 ILE 3.491 0.413 4 0 "[ . 1 . 2]"
1 26 LEU 14.378 0.275 14 0 "[ . 1 . 2]"
1 27 ARG 24.176 0.402 15 0 "[ . 1 . 2]"
1 28 ILE 10.846 0.581 15 1 "[ . 1 + 2]"
1 29 ARG 4.447 0.151 9 0 "[ . 1 . 2]"
1 30 ASP 3.043 0.169 18 0 "[ . 1 . 2]"
1 31 LYS 0.093 0.047 3 0 "[ . 1 . 2]"
1 32 PRO 0.487 0.041 4 0 "[ . 1 . 2]"
1 33 GLU 1.085 0.121 7 0 "[ . 1 . 2]"
1 34 GLU 0.196 0.029 11 0 "[ . 1 . 2]"
1 35 GLN 1.001 0.141 20 0 "[ . 1 . 2]"
1 36 TRP 4.133 0.190 10 0 "[ . 1 . 2]"
1 37 TRP 4.554 0.201 9 0 "[ . 1 . 2]"
1 38 ASN 3.620 0.392 9 0 "[ . 1 . 2]"
1 39 ALA 0.243 0.092 10 0 "[ . 1 . 2]"
1 40 GLU 7.789 0.175 18 0 "[ . 1 . 2]"
1 41 ASP 1.132 0.125 18 0 "[ . 1 . 2]"
1 42 SER 3.446 0.172 18 0 "[ . 1 . 2]"
1 43 GLU 1.690 0.099 16 0 "[ . 1 . 2]"
1 44 GLY 9.104 0.179 6 0 "[ . 1 . 2]"
1 45 LYS 8.850 0.198 18 0 "[ . 1 . 2]"
1 46 ARG 6.971 0.257 19 0 "[ . 1 . 2]"
1 47 GLY 5.589 0.257 19 0 "[ . 1 . 2]"
1 48 MET 9.662 0.392 9 0 "[ . 1 . 2]"
1 49 ILE 1.135 0.225 10 0 "[ . 1 . 2]"
1 50 PRO 3.575 0.202 9 0 "[ . 1 . 2]"
1 51 VAL 2.009 0.177 15 0 "[ . 1 . 2]"
1 52 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 TYR 7.933 0.513 18 1 "[ . 1 . + 2]"
1 54 VAL 4.896 0.328 20 0 "[ . 1 . 2]"
1 55 GLU 14.545 0.549 17 1 "[ . 1 . + 2]"
1 56 LYS 6.115 0.338 1 0 "[ . 1 . 2]"
1 57 TYR 2.081 0.324 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 1 ALA HA 1 2 GLU H . . 5.020 2.590 2.225 3.641 . 0 0 "[ . 1 . 2]" 1
2 1 1 ALA MB 1 2 GLU H . . 8.030 3.363 2.262 3.761 . 0 0 "[ . 1 . 2]" 1
3 1 1 ALA MB 1 2 GLU HA . . 8.030 4.209 3.888 4.536 . 0 0 "[ . 1 . 2]" 1
4 1 2 GLU H 1 3 TYR H . . 4.520 3.085 1.933 4.376 . 0 0 "[ . 1 . 2]" 1
5 1 2 GLU H 1 27 ARG HA . . 4.000 4.154 3.794 4.334 0.334 14 0 "[ . 1 . 2]" 1
6 1 2 GLU HA 1 3 TYR H . . 3.830 3.306 2.788 3.642 . 0 0 "[ . 1 . 2]" 1
7 1 2 GLU HA 1 3 TYR HA . . 4.610 4.569 4.539 4.632 0.022 15 0 "[ . 1 . 2]" 1
8 1 2 GLU HA 1 27 ARG HG2 . . 7.000 5.079 2.489 7.302 0.302 3 0 "[ . 1 . 2]" 1
9 1 2 GLU HA 1 28 ILE H . . 3.460 3.064 2.204 4.041 0.581 15 1 "[ . 1 + 2]" 1
10 1 2 GLU HA 1 28 ILE HB . . 7.000 3.602 2.617 4.762 . 0 0 "[ . 1 . 2]" 1
11 1 2 GLU HG2 1 3 TYR H . . 4.790 3.300 2.082 4.327 . 0 0 "[ . 1 . 2]" 1
12 1 2 GLU HG2 1 28 ILE HB . . 7.000 4.809 1.909 6.520 . 0 0 "[ . 1 . 2]" 1
13 1 2 GLU HG3 1 3 TYR H . . 4.420 3.354 1.962 4.438 0.018 4 0 "[ . 1 . 2]" 1
14 1 2 GLU HG3 1 3 TYR HA . . 7.000 5.063 4.081 6.501 . 0 0 "[ . 1 . 2]" 1
15 1 2 GLU HG3 1 28 ILE H . . 7.000 4.646 3.851 5.408 . 0 0 "[ . 1 . 2]" 1
16 1 3 TYR H 1 4 VAL H . . 4.420 4.235 3.783 4.434 0.014 13 0 "[ . 1 . 2]" 1
17 1 3 TYR H 1 4 VAL HA . . 4.560 4.726 4.576 4.847 0.287 16 0 "[ . 1 . 2]" 1
18 1 3 TYR H 1 27 ARG HA . . 3.860 4.086 3.933 4.262 0.402 15 0 "[ . 1 . 2]" 1
19 1 3 TYR H 1 28 ILE H . . 3.690 3.696 3.549 3.822 0.132 9 0 "[ . 1 . 2]" 1
20 1 3 TYR H 1 57 TYR HB2 . . 7.000 5.962 4.694 7.014 0.014 19 0 "[ . 1 . 2]" 1
21 1 3 TYR HA 1 4 VAL H . . 3.180 2.243 2.188 2.465 . 0 0 "[ . 1 . 2]" 1
22 1 3 TYR HA 1 4 VAL HA . . 4.880 4.404 4.373 4.494 . 0 0 "[ . 1 . 2]" 1
23 1 3 TYR HA 1 4 VAL MG1 . . 8.030 3.956 3.617 4.222 . 0 0 "[ . 1 . 2]" 1
24 1 3 TYR HA 1 4 VAL MG2 . . 7.940 3.431 3.104 3.850 . 0 0 "[ . 1 . 2]" 1
25 1 3 TYR HA 1 27 ARG H . . 4.310 4.420 4.156 4.531 0.221 16 0 "[ . 1 . 2]" 1
26 1 3 TYR HA 1 27 ARG HA . . 3.600 1.881 1.686 2.008 . 0 0 "[ . 1 . 2]" 1
27 1 3 TYR HA 1 27 ARG HG2 . . 7.000 4.574 3.251 5.874 . 0 0 "[ . 1 . 2]" 1
28 1 3 TYR HA 1 28 ILE H . . 3.460 3.314 2.501 3.522 0.062 19 0 "[ . 1 . 2]" 1
29 1 3 TYR HA 1 57 TYR HB3 . . 7.000 5.238 4.022 7.324 0.324 16 0 "[ . 1 . 2]" 1
30 1 3 TYR QB 1 4 VAL H . . 5.210 3.286 2.569 3.739 . 0 0 "[ . 1 . 2]" 1
31 1 3 TYR QD 1 4 VAL H . . 9.140 4.144 3.214 4.864 . 0 0 "[ . 1 . 2]" 1
32 1 4 VAL H 1 4 VAL MG2 . . 4.530 2.107 1.843 2.389 . 0 0 "[ . 1 . 2]" 1
33 1 4 VAL H 1 5 ARG HA . . 4.600 4.620 4.474 4.709 0.109 9 0 "[ . 1 . 2]" 1
34 1 4 VAL H 1 5 ARG HE . . 5.110 5.415 5.258 5.828 0.718 13 2 "[ .- 1 + . 2]" 1
35 1 4 VAL H 1 25 ILE HA . . 6.450 4.447 3.790 5.020 . 0 0 "[ . 1 . 2]" 1
36 1 4 VAL H 1 26 LEU H . . 3.140 2.704 2.337 3.238 0.098 9 0 "[ . 1 . 2]" 1
37 1 4 VAL H 1 26 LEU HA . . 5.620 4.546 4.391 4.885 . 0 0 "[ . 1 . 2]" 1
38 1 4 VAL H 1 26 LEU HB3 . . 7.000 5.065 4.778 5.345 . 0 0 "[ . 1 . 2]" 1
39 1 4 VAL H 1 27 ARG HA . . 4.190 3.098 2.829 3.575 . 0 0 "[ . 1 . 2]" 1
40 1 4 VAL H 1 28 ILE H . . 4.790 4.574 3.996 4.976 0.186 13 0 "[ . 1 . 2]" 1
41 1 4 VAL H 1 28 ILE MD . . 8.030 3.815 3.292 4.246 . 0 0 "[ . 1 . 2]" 1
42 1 4 VAL HA 1 5 ARG H . . 3.000 2.370 2.259 2.533 . 0 0 "[ . 1 . 2]" 1
43 1 4 VAL HA 1 26 LEU H . . 4.580 4.658 4.555 4.775 0.195 3 0 "[ . 1 . 2]" 1
44 1 4 VAL HA 1 54 VAL HB . . 5.110 4.855 4.369 5.176 0.066 10 0 "[ . 1 . 2]" 1
45 1 4 VAL HA 1 55 GLU H . . 4.010 4.122 3.946 4.287 0.277 17 0 "[ . 1 . 2]" 1
46 1 4 VAL HA 1 56 LYS H . . 4.520 4.448 4.134 4.729 0.209 9 0 "[ . 1 . 2]" 1
47 1 4 VAL HA 1 56 LYS HA . . 4.150 2.218 1.961 2.574 . 0 0 "[ . 1 . 2]" 1
48 1 4 VAL HA 1 56 LYS HD2 . . 4.240 3.963 3.362 4.334 0.094 6 0 "[ . 1 . 2]" 1
49 1 4 VAL HA 1 57 TYR HB2 . . 6.910 4.453 3.149 5.389 . 0 0 "[ . 1 . 2]" 1
50 1 4 VAL HA 1 57 TYR HB3 . . 6.820 4.450 3.652 6.107 . 0 0 "[ . 1 . 2]" 1
51 1 4 VAL MG1 1 5 ARG H . . 6.600 3.604 3.314 4.002 . 0 0 "[ . 1 . 2]" 1
52 1 4 VAL MG1 1 28 ILE H . . 7.710 4.221 3.822 4.551 . 0 0 "[ . 1 . 2]" 1
53 1 4 VAL MG1 1 37 TRP HE3 . . 4.950 2.839 2.301 3.905 . 0 0 "[ . 1 . 2]" 1
54 1 4 VAL MG1 1 37 TRP HH2 . . 5.870 4.988 4.794 5.113 . 0 0 "[ . 1 . 2]" 1
55 1 4 VAL MG1 1 37 TRP HZ3 . . 5.360 2.995 2.787 3.148 . 0 0 "[ . 1 . 2]" 1
56 1 4 VAL MG1 1 54 VAL MG2 . . 8.780 2.802 2.212 3.241 . 0 0 "[ . 1 . 2]" 1
57 1 4 VAL MG1 1 55 GLU H . . 8.030 4.320 3.917 4.900 . 0 0 "[ . 1 . 2]" 1
58 1 4 VAL MG1 1 56 LYS H . . 8.030 4.411 3.830 5.099 . 0 0 "[ . 1 . 2]" 1
59 1 4 VAL MG1 1 56 LYS HA . . 4.720 2.368 1.881 3.020 . 0 0 "[ . 1 . 2]" 1
60 1 4 VAL MG2 1 5 ARG H . . 6.230 3.877 3.611 4.101 . 0 0 "[ . 1 . 2]" 1
61 1 4 VAL MG2 1 5 ARG HA . . 5.450 4.159 3.722 4.373 . 0 0 "[ . 1 . 2]" 1
62 1 4 VAL MG2 1 6 ALA H . . 8.030 5.279 4.601 5.988 . 0 0 "[ . 1 . 2]" 1
63 1 4 VAL MG2 1 6 ALA HA . . 8.030 5.706 5.330 6.098 . 0 0 "[ . 1 . 2]" 1
64 1 4 VAL MG2 1 26 LEU H . . 6.000 3.080 2.439 3.729 . 0 0 "[ . 1 . 2]" 1
65 1 4 VAL MG2 1 26 LEU MD1 . . 7.400 2.229 1.754 3.652 . 0 0 "[ . 1 . 2]" 1
66 1 4 VAL MG2 1 27 ARG HA . . 8.030 3.366 2.835 3.928 . 0 0 "[ . 1 . 2]" 1
67 1 4 VAL MG2 1 28 ILE H . . 8.030 3.846 3.345 4.233 . 0 0 "[ . 1 . 2]" 1
68 1 4 VAL MG2 1 37 TRP HZ3 . . 8.030 5.008 3.817 5.441 . 0 0 "[ . 1 . 2]" 1
69 1 4 VAL MG2 1 54 VAL HB . . 4.850 3.724 2.825 4.063 . 0 0 "[ . 1 . 2]" 1
70 1 4 VAL MG2 1 55 GLU H . . 6.920 4.778 4.205 5.199 . 0 0 "[ . 1 . 2]" 1
71 1 5 ARG H 1 5 ARG HA . . 3.000 2.908 2.888 2.913 . 0 0 "[ . 1 . 2]" 1
72 1 5 ARG H 1 5 ARG HG2 . . 4.930 3.262 1.769 4.846 . 0 0 "[ . 1 . 2]" 1
73 1 5 ARG H 1 5 ARG HG3 . . 4.150 3.817 2.441 4.454 0.304 17 0 "[ . 1 . 2]" 1
74 1 5 ARG H 1 6 ALA H . . 4.520 4.392 4.139 4.546 0.026 16 0 "[ . 1 . 2]" 1
75 1 5 ARG H 1 26 LEU H . . 4.760 4.906 4.573 5.035 0.275 14 0 "[ . 1 . 2]" 1
76 1 5 ARG H 1 54 VAL HA . . 4.470 4.348 3.994 4.589 0.119 15 0 "[ . 1 . 2]" 1
77 1 5 ARG H 1 54 VAL HB . . 4.100 3.307 2.912 3.793 . 0 0 "[ . 1 . 2]" 1
78 1 5 ARG H 1 54 VAL MG2 . . 8.030 3.567 2.746 4.730 . 0 0 "[ . 1 . 2]" 1
79 1 5 ARG H 1 55 GLU H . . 3.410 2.122 1.906 2.364 . 0 0 "[ . 1 . 2]" 1
80 1 5 ARG H 1 55 GLU HG2 . . 7.000 4.744 4.271 5.141 . 0 0 "[ . 1 . 2]" 1
81 1 5 ARG H 1 55 GLU HG3 . . 7.000 4.211 2.841 5.456 . 0 0 "[ . 1 . 2]" 1
82 1 5 ARG H 1 56 LYS H . . 4.190 4.280 3.852 4.528 0.338 1 0 "[ . 1 . 2]" 1
83 1 5 ARG H 1 56 LYS HA . . 4.700 3.637 3.433 3.942 . 0 0 "[ . 1 . 2]" 1
84 1 5 ARG H 1 57 TYR HB3 . . 7.000 5.532 4.904 6.312 . 0 0 "[ . 1 . 2]" 1
85 1 5 ARG HA 1 5 ARG HG2 . . 4.010 3.697 3.357 3.958 . 0 0 "[ . 1 . 2]" 1
86 1 5 ARG HA 1 5 ARG HG3 . . 4.330 3.559 2.909 4.184 . 0 0 "[ . 1 . 2]" 1
87 1 5 ARG HA 1 6 ALA H . . 2.810 2.379 2.225 2.828 0.018 9 0 "[ . 1 . 2]" 1
88 1 5 ARG HA 1 6 ALA HA . . 6.080 4.433 4.382 4.611 . 0 0 "[ . 1 . 2]" 1
89 1 5 ARG HA 1 6 ALA MB . . 7.110 3.897 3.761 4.014 . 0 0 "[ . 1 . 2]" 1
90 1 5 ARG HA 1 25 ILE HA . . 4.700 2.551 1.994 2.947 . 0 0 "[ . 1 . 2]" 1
91 1 5 ARG HA 1 25 ILE MD . . 6.880 3.177 1.950 4.363 . 0 0 "[ . 1 . 2]" 1
92 1 5 ARG HA 1 26 LEU H . . 3.780 3.435 2.777 3.784 0.004 14 0 "[ . 1 . 2]" 1
93 1 5 ARG HA 1 26 LEU HG . . 5.070 4.479 2.582 5.166 0.096 16 0 "[ . 1 . 2]" 1
94 1 5 ARG HA 1 54 VAL HB . . 5.110 4.098 3.622 4.560 . 0 0 "[ . 1 . 2]" 1
95 1 5 ARG HA 1 55 GLU H . . 4.010 4.085 3.813 4.272 0.262 1 0 "[ . 1 . 2]" 1
96 1 5 ARG HA 1 57 TYR HB3 . . 6.820 6.415 5.110 7.124 0.304 16 0 "[ . 1 . 2]" 1
97 1 5 ARG QB 1 6 ALA H . . 4.610 3.163 1.899 3.955 . 0 0 "[ . 1 . 2]" 1
98 1 5 ARG HD2 1 23 GLY HA2 . . 7.000 4.575 2.171 6.527 . 0 0 "[ . 1 . 2]" 1
99 1 5 ARG HE 1 25 ILE MD . . 8.030 2.754 1.726 3.972 . 0 0 "[ . 1 . 2]" 1
100 1 5 ARG HG2 1 6 ALA H . . 6.220 4.366 3.432 5.067 . 0 0 "[ . 1 . 2]" 1
101 1 5 ARG HG2 1 23 GLY HA2 . . 7.000 4.725 3.266 5.680 . 0 0 "[ . 1 . 2]" 1
102 1 5 ARG HG2 1 25 ILE HA . . 6.030 5.609 4.362 6.204 0.174 13 0 "[ . 1 . 2]" 1
103 1 5 ARG HG2 1 25 ILE MD . . 5.590 4.481 4.026 4.745 . 0 0 "[ . 1 . 2]" 1
104 1 5 ARG HG3 1 6 ALA H . . 6.590 3.464 1.888 4.778 . 0 0 "[ . 1 . 2]" 1
105 1 5 ARG HG3 1 6 ALA HA . . 5.110 4.199 3.499 5.178 0.068 20 0 "[ . 1 . 2]" 1
106 1 5 ARG HG3 1 7 LEU H . . 7.000 4.171 3.225 5.273 . 0 0 "[ . 1 . 2]" 1
107 1 5 ARG HG3 1 7 LEU HA . . 7.000 4.765 4.042 6.520 . 0 0 "[ . 1 . 2]" 1
108 1 5 ARG HG3 1 7 LEU MD2 . . 6.420 2.815 2.030 3.523 . 0 0 "[ . 1 . 2]" 1
109 1 5 ARG HG3 1 23 GLY HA2 . . 5.670 3.616 2.022 4.701 . 0 0 "[ . 1 . 2]" 1
110 1 5 ARG HG3 1 23 GLY HA3 . . 5.020 5.109 3.031 5.471 0.451 8 0 "[ . 1 . 2]" 1
111 1 5 ARG HG3 1 25 ILE MD . . 8.030 4.461 3.730 5.838 . 0 0 "[ . 1 . 2]" 1
112 1 5 ARG HG3 1 55 GLU H . . 3.500 3.694 3.058 4.049 0.549 17 1 "[ . 1 . + 2]" 1
113 1 5 ARG HG3 1 55 GLU HG3 . . 3.320 3.111 1.928 3.475 0.155 9 0 "[ . 1 . 2]" 1
114 1 6 ALA H 1 7 LEU H . . 5.390 4.236 3.629 4.570 . 0 0 "[ . 1 . 2]" 1
115 1 6 ALA H 1 23 GLY H . . 3.460 3.767 3.114 4.185 0.725 10 4 "[ *. + . * -]" 1
116 1 6 ALA H 1 24 ASP H . . 4.420 2.684 2.216 3.027 . 0 0 "[ . 1 . 2]" 1
117 1 6 ALA H 1 25 ILE HA . . 4.060 3.988 3.552 4.473 0.413 4 0 "[ . 1 . 2]" 1
118 1 6 ALA H 1 26 LEU MD1 . . 6.970 3.469 2.649 4.906 . 0 0 "[ . 1 . 2]" 1
119 1 6 ALA H 1 26 LEU HG . . 7.000 4.966 3.711 6.382 . 0 0 "[ . 1 . 2]" 1
120 1 6 ALA H 1 54 VAL HA . . 4.190 4.413 4.201 4.518 0.328 20 0 "[ . 1 . 2]" 1
121 1 6 ALA H 1 54 VAL HB . . 6.590 4.025 3.166 5.175 . 0 0 "[ . 1 . 2]" 1
122 1 6 ALA HA 1 7 LEU H . . 2.630 2.226 2.186 2.348 . 0 0 "[ . 1 . 2]" 1
123 1 6 ALA HA 1 7 LEU HG . . 4.290 3.603 3.374 3.928 . 0 0 "[ . 1 . 2]" 1
124 1 6 ALA HA 1 8 PHE H . . 3.500 3.504 3.134 3.732 0.232 12 0 "[ . 1 . 2]" 1
125 1 6 ALA HA 1 26 LEU MD1 . . 8.030 4.414 3.781 5.428 . 0 0 "[ . 1 . 2]" 1
126 1 6 ALA HA 1 53 TYR HB2 . . 7.000 5.795 5.193 6.196 . 0 0 "[ . 1 . 2]" 1
127 1 6 ALA HA 1 54 VAL HA . . 4.290 1.970 1.833 2.182 . 0 0 "[ . 1 . 2]" 1
128 1 6 ALA HA 1 54 VAL HB . . 5.250 2.770 2.018 3.786 . 0 0 "[ . 1 . 2]" 1
129 1 6 ALA HA 1 54 VAL MG1 . . 6.790 2.256 1.827 2.999 . 0 0 "[ . 1 . 2]" 1
130 1 6 ALA HA 1 55 GLU H . . 4.150 3.648 3.416 3.767 . 0 0 "[ . 1 . 2]" 1
131 1 6 ALA MB 1 7 LEU H . . 5.820 3.391 3.002 3.715 . 0 0 "[ . 1 . 2]" 1
132 1 6 ALA MB 1 8 PHE H . . 6.280 3.047 2.732 3.388 . 0 0 "[ . 1 . 2]" 1
133 1 6 ALA MB 1 20 PHE HB2 . . 7.290 2.164 1.802 2.790 . 0 0 "[ . 1 . 2]" 1
134 1 6 ALA MB 1 20 PHE HB3 . . 8.030 3.179 2.873 3.806 . 0 0 "[ . 1 . 2]" 1
135 1 6 ALA MB 1 20 PHE HZ . . 8.030 4.224 3.393 4.971 . 0 0 "[ . 1 . 2]" 1
136 1 6 ALA MB 1 21 LYS H . . 8.030 3.136 2.541 3.959 . 0 0 "[ . 1 . 2]" 1
137 1 6 ALA MB 1 22 LYS H . . 8.030 4.657 2.832 5.182 . 0 0 "[ . 1 . 2]" 1
138 1 6 ALA MB 1 23 GLY H . . 4.760 3.181 2.694 4.030 . 0 0 "[ . 1 . 2]" 1
139 1 6 ALA MB 1 23 GLY HA2 . . 7.430 4.370 3.540 4.829 . 0 0 "[ . 1 . 2]" 1
140 1 6 ALA MB 1 23 GLY HA3 . . 6.230 5.230 4.751 5.470 . 0 0 "[ . 1 . 2]" 1
141 1 6 ALA MB 1 24 ASP H . . 4.810 2.468 2.105 3.051 . 0 0 "[ . 1 . 2]" 1
142 1 6 ALA MB 1 24 ASP HA . . 8.030 4.435 3.779 4.984 . 0 0 "[ . 1 . 2]" 1
143 1 6 ALA MB 1 24 ASP HB2 . . 8.030 3.209 1.909 3.994 . 0 0 "[ . 1 . 2]" 1
144 1 6 ALA MB 1 24 ASP HB3 . . 6.650 2.457 1.753 3.980 . 0 0 "[ . 1 . 2]" 1
145 1 6 ALA MB 1 26 LEU MD1 . . 8.140 2.654 2.074 3.769 . 0 0 "[ . 1 . 2]" 1
146 1 6 ALA MB 1 26 LEU MD2 . . 8.870 3.784 3.017 4.597 . 0 0 "[ . 1 . 2]" 1
147 1 6 ALA MB 1 53 TYR HB2 . . 6.690 5.216 4.775 5.615 . 0 0 "[ . 1 . 2]" 1
148 1 6 ALA MB 1 54 VAL HA . . 7.890 3.546 3.119 3.772 . 0 0 "[ . 1 . 2]" 1
149 1 7 LEU H 1 7 LEU MD1 . . 5.770 1.947 1.757 2.206 . 0 0 "[ . 1 . 2]" 1
150 1 7 LEU H 1 7 LEU HG . . 4.880 2.428 1.933 2.899 . 0 0 "[ . 1 . 2]" 1
151 1 7 LEU H 1 8 PHE H . . 2.950 2.539 2.178 2.962 0.012 15 0 "[ . 1 . 2]" 1
152 1 7 LEU H 1 53 TYR HA . . 5.160 4.677 4.266 5.141 . 0 0 "[ . 1 . 2]" 1
153 1 7 LEU H 1 54 VAL HA . . 3.320 2.715 2.230 3.283 . 0 0 "[ . 1 . 2]" 1
154 1 7 LEU H 1 54 VAL HB . . 7.000 4.590 3.862 5.539 . 0 0 "[ . 1 . 2]" 1
155 1 7 LEU H 1 54 VAL MG1 . . 5.870 3.804 3.076 4.760 . 0 0 "[ . 1 . 2]" 1
156 1 7 LEU H 1 55 GLU H . . 4.610 4.498 4.142 4.877 0.267 6 0 "[ . 1 . 2]" 1
157 1 7 LEU HA 1 7 LEU MD2 . . 4.580 3.888 3.641 4.028 . 0 0 "[ . 1 . 2]" 1
158 1 7 LEU HA 1 8 PHE H . . 3.870 2.994 2.863 3.120 . 0 0 "[ . 1 . 2]" 1
159 1 7 LEU HA 1 23 GLY H . . 5.710 2.617 1.872 3.565 . 0 0 "[ . 1 . 2]" 1
160 1 7 LEU MD1 1 54 VAL H . . 4.670 3.974 3.819 4.143 . 0 0 "[ . 1 . 2]" 1
161 1 7 LEU MD1 1 54 VAL HA . . 6.140 2.332 1.918 3.396 . 0 0 "[ . 1 . 2]" 1
162 1 7 LEU MD1 1 55 GLU H . . 6.000 3.209 2.777 4.054 . 0 0 "[ . 1 . 2]" 1
163 1 7 LEU MD1 1 55 GLU HB2 . . 5.180 3.854 3.118 4.315 . 0 0 "[ . 1 . 2]" 1
164 1 7 LEU MD1 1 55 GLU HB3 . . 5.500 3.958 3.011 4.237 . 0 0 "[ . 1 . 2]" 1
165 1 7 LEU MD1 1 55 GLU HG3 . . 8.030 2.111 1.867 2.698 . 0 0 "[ . 1 . 2]" 1
166 1 7 LEU MD2 1 54 VAL HA . . 6.460 4.695 4.310 5.425 . 0 0 "[ . 1 . 2]" 1
167 1 7 LEU MD2 1 55 GLU H . . 7.940 4.450 4.007 4.981 . 0 0 "[ . 1 . 2]" 1
168 1 7 LEU MD2 1 55 GLU HA . . 8.030 5.122 4.847 5.524 . 0 0 "[ . 1 . 2]" 1
169 1 7 LEU MD2 1 55 GLU HB2 . . 5.500 3.512 2.594 4.467 . 0 0 "[ . 1 . 2]" 1
170 1 7 LEU MD2 1 55 GLU HB3 . . 5.960 3.931 3.434 4.350 . 0 0 "[ . 1 . 2]" 1
171 1 7 LEU MD2 1 55 GLU HG2 . . 7.890 3.020 1.916 3.353 . 0 0 "[ . 1 . 2]" 1
172 1 7 LEU MD2 1 55 GLU HG3 . . 6.740 2.187 1.779 3.080 . 0 0 "[ . 1 . 2]" 1
173 1 7 LEU HG 1 8 PHE H . . 4.610 4.657 4.439 4.774 0.164 5 0 "[ . 1 . 2]" 1
174 1 7 LEU HG 1 54 VAL HA . . 7.000 3.743 3.260 4.370 . 0 0 "[ . 1 . 2]" 1
175 1 7 LEU HG 1 54 VAL MG1 . . 7.890 5.269 4.681 5.951 . 0 0 "[ . 1 . 2]" 1
176 1 7 LEU HG 1 55 GLU H . . 7.000 4.099 3.764 4.355 . 0 0 "[ . 1 . 2]" 1
177 1 7 LEU HG 1 55 GLU HG3 . . 3.090 2.677 2.023 3.216 0.126 13 0 "[ . 1 . 2]" 1
178 1 8 PHE H 1 8 PHE HB2 . . 3.730 2.595 2.463 2.709 . 0 0 "[ . 1 . 2]" 1
179 1 8 PHE H 1 8 PHE HB3 . . 3.780 3.060 2.831 3.437 . 0 0 "[ . 1 . 2]" 1
180 1 8 PHE H 1 9 ASP H . . 3.600 1.671 1.577 1.811 . 0 0 "[ . 1 . 2]" 1
181 1 8 PHE H 1 9 ASP HA . . 3.660 3.808 3.730 3.952 0.292 20 0 "[ . 1 . 2]" 1
182 1 8 PHE H 1 23 GLY H . . 5.850 4.030 3.413 4.452 . 0 0 "[ . 1 . 2]" 1
183 1 8 PHE H 1 53 TYR HD2 . . 4.380 4.480 4.335 4.603 0.223 18 0 "[ . 1 . 2]" 1
184 1 8 PHE H 1 54 VAL HA . . 4.840 4.591 4.331 4.890 0.050 9 0 "[ . 1 . 2]" 1
185 1 8 PHE H 1 54 VAL MG1 . . 8.030 4.292 3.802 5.150 . 0 0 "[ . 1 . 2]" 1
186 1 8 PHE HA 1 9 ASP H . . 3.260 3.433 3.321 3.501 0.241 3 0 "[ . 1 . 2]" 1
187 1 8 PHE HB2 1 9 ASP H . . 3.870 3.729 3.322 3.958 0.088 14 0 "[ . 1 . 2]" 1
188 1 8 PHE HB2 1 53 TYR HD2 . . 4.010 3.702 3.278 4.068 0.058 18 0 "[ . 1 . 2]" 1
189 1 8 PHE HB2 1 53 TYR HE2 . . 7.000 4.970 4.416 5.498 . 0 0 "[ . 1 . 2]" 1
190 1 8 PHE HB3 1 9 ASP H . . 3.500 3.393 3.150 3.634 0.134 14 0 "[ . 1 . 2]" 1
191 1 8 PHE HB3 1 53 TYR HD2 . . 5.070 2.319 1.974 3.061 . 0 0 "[ . 1 . 2]" 1
192 1 8 PHE HB3 1 53 TYR HE2 . . 7.000 3.325 2.834 3.875 . 0 0 "[ . 1 . 2]" 1
193 1 9 ASP H 1 9 ASP HA . . 2.450 2.169 2.166 2.172 . 0 0 "[ . 1 . 2]" 1
194 1 9 ASP H 1 9 ASP HB2 . . 3.370 3.433 3.222 3.918 0.548 11 2 "[ -. 1+ . 2]" 1
195 1 9 ASP H 1 9 ASP HB3 . . 3.690 3.431 3.136 3.999 0.309 20 0 "[ . 1 . 2]" 1
196 1 9 ASP H 1 21 LYS HA . . 4.150 3.778 2.416 4.410 0.260 12 0 "[ . 1 . 2]" 1
197 1 9 ASP H 1 22 LYS H . . 3.780 3.816 3.167 4.089 0.309 15 0 "[ . 1 . 2]" 1
198 1 9 ASP H 1 53 TYR HD2 . . 7.000 4.242 4.036 4.423 . 0 0 "[ . 1 . 2]" 1
199 1 9 ASP HA 1 10 PHE H . . 2.450 2.486 2.363 2.563 0.113 14 0 "[ . 1 . 2]" 1
200 1 9 ASP HA 1 20 PHE H . . 4.190 4.376 4.175 4.481 0.291 2 0 "[ . 1 . 2]" 1
201 1 9 ASP HA 1 22 LYS H . . 3.410 3.543 2.727 3.671 0.261 9 0 "[ . 1 . 2]" 1
202 1 9 ASP HB2 1 10 PHE H . . 3.690 3.521 2.891 3.830 0.140 20 0 "[ . 1 . 2]" 1
203 1 9 ASP HB2 1 21 LYS HA . . 7.000 2.511 1.933 4.141 . 0 0 "[ . 1 . 2]" 1
204 1 9 ASP HB3 1 10 PHE H . . 3.960 3.691 2.492 4.118 0.158 10 0 "[ . 1 . 2]" 1
205 1 9 ASP HB3 1 21 LYS HA . . 6.590 3.350 1.887 4.041 . 0 0 "[ . 1 . 2]" 1
206 1 9 ASP HB3 1 22 LYS H . . 7.000 3.504 3.138 4.898 . 0 0 "[ . 1 . 2]" 1
207 1 10 PHE H 1 10 PHE HB2 . . 3.730 3.513 3.025 3.696 . 0 0 "[ . 1 . 2]" 1
208 1 10 PHE H 1 10 PHE HB3 . . 4.100 2.755 2.598 2.935 . 0 0 "[ . 1 . 2]" 1
209 1 10 PHE H 1 11 ASN HA . . 3.840 4.105 3.954 4.294 0.454 3 0 "[ . 1 . 2]" 1
210 1 10 PHE H 1 19 PRO HA . . 4.790 4.799 4.574 4.932 0.142 13 0 "[ . 1 . 2]" 1
211 1 10 PHE H 1 20 PHE HA . . 4.810 4.978 4.861 5.117 0.307 14 0 "[ . 1 . 2]" 1
212 1 10 PHE H 1 21 LYS H . . 5.170 4.925 4.757 5.175 0.005 14 0 "[ . 1 . 2]" 1
213 1 10 PHE H 1 21 LYS HA . . 3.960 3.289 2.985 3.790 . 0 0 "[ . 1 . 2]" 1
214 1 10 PHE H 1 22 LYS H . . 5.280 5.398 4.790 5.758 0.478 20 0 "[ . 1 . 2]" 1
215 1 10 PHE H 1 53 TYR HD2 . . 7.000 5.087 4.456 5.564 . 0 0 "[ . 1 . 2]" 1
216 1 10 PHE HA 1 11 ASN H . . 4.190 3.619 3.552 3.644 . 0 0 "[ . 1 . 2]" 1
217 1 10 PHE HA 1 20 PHE H . . 5.060 5.144 4.957 5.292 0.232 8 0 "[ . 1 . 2]" 1
218 1 10 PHE HA 1 53 TYR HE2 . . 4.190 3.502 1.963 4.200 0.010 2 0 "[ . 1 . 2]" 1
219 1 10 PHE HB2 1 11 ASN H . . 4.380 3.815 3.322 4.066 . 0 0 "[ . 1 . 2]" 1
220 1 10 PHE HB2 1 19 PRO HA . . 6.360 5.299 3.917 5.749 . 0 0 "[ . 1 . 2]" 1
221 1 10 PHE HB2 1 20 PHE H . . 5.900 4.464 3.815 4.903 . 0 0 "[ . 1 . 2]" 1
222 1 10 PHE HB2 1 20 PHE HB2 . . 7.000 6.310 5.804 7.076 0.076 17 0 "[ . 1 . 2]" 1
223 1 10 PHE HB2 1 20 PHE HZ . . 5.160 2.481 2.087 3.681 . 0 0 "[ . 1 . 2]" 1
224 1 10 PHE HB2 1 53 TYR HB2 . . 7.000 5.353 4.660 6.335 . 0 0 "[ . 1 . 2]" 1
225 1 10 PHE HB2 1 53 TYR HD2 . . 5.340 2.829 2.326 3.269 . 0 0 "[ . 1 . 2]" 1
226 1 10 PHE HB3 1 11 ASN H . . 4.930 2.415 1.714 2.766 . 0 0 "[ . 1 . 2]" 1
227 1 10 PHE HB3 1 20 PHE H . . 7.000 2.778 2.372 3.201 . 0 0 "[ . 1 . 2]" 1
228 1 10 PHE HB3 1 20 PHE HZ . . 6.590 3.112 2.735 4.535 . 0 0 "[ . 1 . 2]" 1
229 1 10 PHE HB3 1 53 TYR HB3 . . 7.000 5.354 4.805 6.298 . 0 0 "[ . 1 . 2]" 1
230 1 10 PHE HB3 1 53 TYR HD2 . . 3.830 4.038 3.927 4.343 0.513 18 1 "[ . 1 . + 2]" 1
231 1 10 PHE HB3 1 53 TYR HE2 . . 7.000 4.940 4.111 5.460 . 0 0 "[ . 1 . 2]" 1
232 1 11 ASN H 1 12 GLY H . . 3.830 3.534 1.554 4.135 0.305 16 0 "[ . 1 . 2]" 1
233 1 11 ASN H 1 19 PRO HA . . 2.770 2.896 2.721 3.052 0.282 16 0 "[ . 1 . 2]" 1
234 1 11 ASN H 1 53 TYR HE2 . . 7.000 6.572 5.285 7.020 0.020 2 0 "[ . 1 . 2]" 1
235 1 11 ASN HA 1 12 GLY H . . 4.980 2.724 2.320 3.654 . 0 0 "[ . 1 . 2]" 1
236 1 11 ASN HA 1 19 PRO HB2 . . 7.000 2.547 2.004 4.215 . 0 0 "[ . 1 . 2]" 1
237 1 11 ASN HA 1 19 PRO HB3 . . 4.650 2.176 1.883 4.129 . 0 0 "[ . 1 . 2]" 1
238 1 11 ASN HA 1 20 PHE H . . 3.830 3.246 2.616 4.139 0.309 18 0 "[ . 1 . 2]" 1
239 1 11 ASN HB2 1 12 GLY H . . 5.020 4.205 1.906 4.733 . 0 0 "[ . 1 . 2]" 1
240 1 11 ASN HB3 1 12 GLY H . . 6.030 3.921 1.786 4.610 . 0 0 "[ . 1 . 2]" 1
241 1 12 GLY H 1 13 ASN H . . 5.110 2.931 1.783 4.654 . 0 0 "[ . 1 . 2]" 1
242 1 13 ASN H 1 14 ASP HA . . 3.540 3.666 3.576 3.890 0.350 18 0 "[ . 1 . 2]" 1
243 1 13 ASN H 1 14 ASP HB3 . . 3.730 3.813 3.579 3.963 0.233 14 0 "[ . 1 . 2]" 1
244 1 14 ASP H 1 14 ASP HA . . 2.400 2.189 2.168 2.219 . 0 0 "[ . 1 . 2]" 1
245 1 14 ASP H 1 14 ASP HB2 . . 3.830 3.900 3.788 3.988 0.158 10 0 "[ . 1 . 2]" 1
246 1 14 ASP H 1 14 ASP HB3 . . 3.920 3.163 2.971 3.316 . 0 0 "[ . 1 . 2]" 1
247 1 14 ASP HA 1 15 GLU H . . 2.640 2.761 2.509 2.965 0.325 20 0 "[ . 1 . 2]" 1
248 1 14 ASP HA 1 16 GLU H . . 2.880 2.947 2.899 3.010 0.130 13 0 "[ . 1 . 2]" 1
249 1 14 ASP HA 1 17 ASP H . . 2.860 2.923 2.612 3.030 0.170 7 0 "[ . 1 . 2]" 1
250 1 14 ASP HB2 1 15 GLU H . . 5.340 3.925 1.997 4.705 . 0 0 "[ . 1 . 2]" 1
251 1 14 ASP HB3 1 15 GLU H . . 4.560 4.347 3.559 4.720 0.160 5 0 "[ . 1 . 2]" 1
252 1 14 ASP HB3 1 17 ASP HA . . 7.000 7.041 6.217 7.343 0.343 2 0 "[ . 1 . 2]" 1
253 1 15 GLU H 1 16 GLU H . . 3.410 2.645 2.527 2.758 . 0 0 "[ . 1 . 2]" 1
254 1 15 GLU H 1 17 ASP H . . 4.520 3.692 3.320 4.216 . 0 0 "[ . 1 . 2]" 1
255 1 15 GLU HA 1 16 GLU H . . 3.600 3.259 3.151 3.430 . 0 0 "[ . 1 . 2]" 1
256 1 16 GLU H 1 16 GLU HG3 . . 4.650 4.485 4.088 4.754 0.104 18 0 "[ . 1 . 2]" 1
257 1 16 GLU H 1 17 ASP H . . 4.240 1.790 1.668 1.977 . 0 0 "[ . 1 . 2]" 1
258 1 16 GLU HG2 1 17 ASP H . . 7.000 4.062 1.939 5.404 . 0 0 "[ . 1 . 2]" 1
259 1 16 GLU HG2 1 48 MET H . . 5.940 5.532 4.771 6.018 0.078 18 0 "[ . 1 . 2]" 1
260 1 17 ASP HA 1 18 LEU H . . 2.680 2.502 2.252 2.774 0.094 9 0 "[ . 1 . 2]" 1
261 1 17 ASP HA 1 48 MET H . . 2.910 2.377 1.870 3.111 0.201 2 0 "[ . 1 . 2]" 1
262 1 17 ASP HA 1 48 MET HB2 . . 7.000 2.943 1.961 4.922 . 0 0 "[ . 1 . 2]" 1
263 1 18 LEU H 1 18 LEU MD1 . . 4.950 4.175 4.049 4.280 . 0 0 "[ . 1 . 2]" 1
264 1 18 LEU H 1 47 GLY QA . . 5.850 3.299 2.747 3.845 . 0 0 "[ . 1 . 2]" 1
265 1 18 LEU H 1 48 MET H . . 3.370 3.025 2.268 3.447 0.077 17 0 "[ . 1 . 2]" 1
266 1 18 LEU H 1 48 MET HA . . 4.130 4.287 4.153 4.388 0.258 15 0 "[ . 1 . 2]" 1
267 1 18 LEU H 1 49 ILE HA . . 4.610 3.741 3.112 4.384 . 0 0 "[ . 1 . 2]" 1
268 1 18 LEU HA 1 18 LEU MD2 . . 4.760 3.869 3.716 4.040 . 0 0 "[ . 1 . 2]" 1
269 1 18 LEU HA 1 19 PRO HD2 . . 3.960 2.260 2.196 2.339 . 0 0 "[ . 1 . 2]" 1
270 1 18 LEU HA 1 19 PRO HD3 . . 3.920 1.971 1.921 2.062 . 0 0 "[ . 1 . 2]" 1
271 1 18 LEU HA 1 19 PRO HG2 . . 7.000 4.356 4.341 4.391 . 0 0 "[ . 1 . 2]" 1
272 1 18 LEU HA 1 19 PRO HG3 . . 7.000 4.210 4.179 4.271 . 0 0 "[ . 1 . 2]" 1
273 1 18 LEU QB 1 47 GLY H . . 7.600 3.061 2.554 3.546 . 0 0 "[ . 1 . 2]" 1
274 1 18 LEU MD1 1 19 PRO HD2 . . 8.030 1.849 1.704 2.029 . 0 0 "[ . 1 . 2]" 1
275 1 18 LEU MD1 1 41 ASP H . . 7.290 3.565 2.760 5.093 . 0 0 "[ . 1 . 2]" 1
276 1 18 LEU MD1 1 47 GLY H . . 7.710 4.604 3.651 5.327 . 0 0 "[ . 1 . 2]" 1
277 1 18 LEU MD2 1 20 PHE HB2 . . 8.030 5.428 5.072 5.699 . 0 0 "[ . 1 . 2]" 1
278 1 18 LEU MD2 1 26 LEU MD1 . . 7.490 2.959 1.721 3.775 . 0 0 "[ . 1 . 2]" 1
279 1 18 LEU MD2 1 39 ALA H . . 7.110 3.381 2.464 4.236 . 0 0 "[ . 1 . 2]" 1
280 1 18 LEU MD2 1 40 GLU H . . 7.060 3.992 3.263 5.038 . 0 0 "[ . 1 . 2]" 1
281 1 18 LEU MD2 1 40 GLU HA . . 6.370 3.046 2.507 3.920 . 0 0 "[ . 1 . 2]" 1
282 1 18 LEU MD2 1 41 ASP H . . 5.870 2.803 2.388 3.498 . 0 0 "[ . 1 . 2]" 1
283 1 18 LEU MD2 1 41 ASP HA . . 5.730 2.841 2.020 3.730 . 0 0 "[ . 1 . 2]" 1
284 1 18 LEU MD2 1 41 ASP HB2 . . 6.690 2.778 1.936 4.751 . 0 0 "[ . 1 . 2]" 1
285 1 18 LEU MD2 1 41 ASP HB3 . . 5.960 4.026 3.457 4.780 . 0 0 "[ . 1 . 2]" 1
286 1 18 LEU MD2 1 45 LYS H . . 7.980 4.708 4.299 5.316 . 0 0 "[ . 1 . 2]" 1
287 1 18 LEU MD2 1 46 ARG H . . 7.150 5.710 5.179 5.961 . 0 0 "[ . 1 . 2]" 1
288 1 18 LEU MD2 1 46 ARG HA . . 5.730 4.112 3.806 4.584 . 0 0 "[ . 1 . 2]" 1
289 1 18 LEU MD2 1 47 GLY H . . 5.730 3.047 2.612 3.660 . 0 0 "[ . 1 . 2]" 1
290 1 18 LEU HG 1 19 PRO HA . . 7.000 4.626 4.364 4.904 . 0 0 "[ . 1 . 2]" 1
291 1 18 LEU HG 1 19 PRO HD2 . . 7.000 4.087 3.717 4.638 . 0 0 "[ . 1 . 2]" 1
292 1 18 LEU HG 1 20 PHE HB2 . . 4.790 5.022 4.797 5.201 0.411 18 0 "[ . 1 . 2]" 1
293 1 18 LEU HG 1 26 LEU MD1 . . 5.360 3.706 2.732 4.427 . 0 0 "[ . 1 . 2]" 1
294 1 18 LEU HG 1 26 LEU MD2 . . 4.350 2.657 1.850 3.542 . 0 0 "[ . 1 . 2]" 1
295 1 19 PRO HA 1 20 PHE H . . 2.770 2.173 2.148 2.403 . 0 0 "[ . 1 . 2]" 1
296 1 19 PRO HB2 1 20 PHE H . . 4.190 3.643 2.794 3.859 . 0 0 "[ . 1 . 2]" 1
297 1 19 PRO HB3 1 20 PHE H . . 4.290 3.970 3.440 4.124 . 0 0 "[ . 1 . 2]" 1
298 1 19 PRO HB3 1 20 PHE HA . . 5.620 5.567 5.354 5.670 0.050 12 0 "[ . 1 . 2]" 1
299 1 20 PHE H 1 20 PHE HA . . 3.040 2.911 2.764 2.937 . 0 0 "[ . 1 . 2]" 1
300 1 20 PHE HA 1 21 LYS H . . 2.720 2.557 2.359 2.704 . 0 0 "[ . 1 . 2]" 1
301 1 20 PHE HA 1 21 LYS HB3 . . 5.670 5.336 4.460 5.734 0.064 18 0 "[ . 1 . 2]" 1
302 1 20 PHE HA 1 26 LEU MD2 . . 6.690 3.854 2.875 5.056 . 0 0 "[ . 1 . 2]" 1
303 1 20 PHE HB2 1 21 LYS H . . 3.270 2.358 2.044 2.822 . 0 0 "[ . 1 . 2]" 1
304 1 20 PHE HB2 1 24 ASP HB3 . . 5.800 2.464 1.935 4.164 . 0 0 "[ . 1 . 2]" 1
305 1 20 PHE HB2 1 26 LEU MD1 . . 7.660 3.395 2.583 4.569 . 0 0 "[ . 1 . 2]" 1
306 1 20 PHE HB2 1 26 LEU MD2 . . 7.430 3.504 2.615 5.139 . 0 0 "[ . 1 . 2]" 1
307 1 20 PHE HB3 1 21 LYS H . . 3.600 3.695 3.476 3.877 0.277 10 0 "[ . 1 . 2]" 1
308 1 20 PHE HB3 1 24 ASP HB3 . . 7.000 3.565 2.717 4.517 . 0 0 "[ . 1 . 2]" 1
309 1 20 PHE HB3 1 26 LEU MD1 . . 7.060 3.038 2.357 3.810 . 0 0 "[ . 1 . 2]" 1
310 1 20 PHE HB3 1 26 LEU MD2 . . 6.920 2.615 2.114 4.030 . 0 0 "[ . 1 . 2]" 1
311 1 20 PHE QD 1 21 LYS H . . 8.060 3.316 2.894 3.905 . 0 0 "[ . 1 . 2]" 1
312 1 20 PHE HZ 1 49 ILE HA . . 7.000 5.005 3.941 5.843 . 0 0 "[ . 1 . 2]" 1
313 1 20 PHE HZ 1 50 PRO HD2 . . 4.750 2.938 1.914 3.978 . 0 0 "[ . 1 . 2]" 1
314 1 20 PHE HZ 1 50 PRO HD3 . . 4.240 3.330 2.202 4.212 . 0 0 "[ . 1 . 2]" 1
315 1 20 PHE HZ 1 50 PRO HG3 . . 5.670 2.654 2.044 4.954 . 0 0 "[ . 1 . 2]" 1
316 1 20 PHE HZ 1 53 TYR H . . 6.910 5.296 4.654 5.927 . 0 0 "[ . 1 . 2]" 1
317 1 20 PHE HZ 1 53 TYR HB2 . . 4.470 3.403 2.749 3.830 . 0 0 "[ . 1 . 2]" 1
318 1 20 PHE HZ 1 53 TYR HB3 . . 5.110 2.708 1.984 3.352 . 0 0 "[ . 1 . 2]" 1
319 1 20 PHE HZ 1 54 VAL MG1 . . 6.600 3.626 2.358 4.488 . 0 0 "[ . 1 . 2]" 1
320 1 21 LYS H 1 21 LYS HB2 . . 4.060 2.745 2.271 4.073 0.013 17 0 "[ . 1 . 2]" 1
321 1 21 LYS H 1 21 LYS HB3 . . 3.870 3.402 2.944 3.772 . 0 0 "[ . 1 . 2]" 1
322 1 21 LYS H 1 24 ASP H . . 4.420 3.418 2.647 4.596 0.176 12 0 "[ . 1 . 2]" 1
323 1 21 LYS H 1 24 ASP HB2 . . 4.790 2.149 1.824 4.883 0.093 12 0 "[ . 1 . 2]" 1
324 1 21 LYS H 1 24 ASP HB3 . . 4.190 2.691 1.825 3.800 . 0 0 "[ . 1 . 2]" 1
325 1 21 LYS HA 1 22 LYS H . . 2.720 2.623 2.300 3.221 0.501 12 1 "[ . 1 + . 2]" 1
326 1 21 LYS HB2 1 22 LYS H . . 4.010 3.673 2.627 4.247 0.237 12 0 "[ . 1 . 2]" 1
327 1 21 LYS HB3 1 22 LYS H . . 3.640 2.722 2.067 3.968 0.328 4 0 "[ . 1 . 2]" 1
328 1 22 LYS H 1 22 LYS QE . . 5.900 3.584 1.751 5.257 . 0 0 "[ . 1 . 2]" 1
329 1 22 LYS H 1 23 GLY H . . 3.960 3.609 2.659 4.250 0.290 14 0 "[ . 1 . 2]" 1
330 1 22 LYS H 1 24 ASP H . . 4.610 4.617 3.719 4.947 0.337 13 0 "[ . 1 . 2]" 1
331 1 22 LYS QE 1 23 GLY H . . 4.380 3.827 3.259 4.283 . 0 0 "[ . 1 . 2]" 1
332 1 22 LYS QE 1 24 ASP H . . 6.540 5.224 4.394 5.881 . 0 0 "[ . 1 . 2]" 1
333 1 23 GLY H 1 23 GLY HA3 . . 3.140 2.880 2.607 2.961 . 0 0 "[ . 1 . 2]" 1
334 1 23 GLY H 1 24 ASP H . . 3.140 2.058 1.558 3.169 0.029 10 0 "[ . 1 . 2]" 1
335 1 23 GLY HA2 1 24 ASP H . . 4.150 3.006 2.775 3.246 . 0 0 "[ . 1 . 2]" 1
336 1 23 GLY HA2 1 24 ASP HA . . 4.420 4.625 4.516 4.771 0.351 20 0 "[ . 1 . 2]" 1
337 1 23 GLY HA3 1 24 ASP H . . 3.830 3.571 3.452 3.638 . 0 0 "[ . 1 . 2]" 1
338 1 24 ASP H 1 24 ASP HA . . 3.140 2.827 2.627 2.896 . 0 0 "[ . 1 . 2]" 1
339 1 24 ASP H 1 24 ASP HB2 . . 3.550 2.643 2.025 3.447 . 0 0 "[ . 1 . 2]" 1
340 1 24 ASP H 1 24 ASP HB3 . . 3.320 2.559 2.062 3.346 0.026 8 0 "[ . 1 . 2]" 1
341 1 24 ASP HA 1 25 ILE H . . 2.910 2.439 2.253 2.615 . 0 0 "[ . 1 . 2]" 1
342 1 24 ASP HA 1 25 ILE HB . . 6.680 4.409 4.111 5.250 . 0 0 "[ . 1 . 2]" 1
343 1 24 ASP HB2 1 25 ILE H . . 3.870 3.938 3.699 4.212 0.342 14 0 "[ . 1 . 2]" 1
344 1 24 ASP HB2 1 26 LEU MD1 . . 8.030 4.372 2.950 5.664 . 0 0 "[ . 1 . 2]" 1
345 1 24 ASP HB3 1 25 ILE H . . 4.700 3.720 2.520 4.446 . 0 0 "[ . 1 . 2]" 1
346 1 24 ASP HB3 1 26 LEU MD1 . . 8.030 3.267 2.398 4.386 . 0 0 "[ . 1 . 2]" 1
347 1 24 ASP HB3 1 26 LEU MD2 . . 8.030 3.533 1.990 4.374 . 0 0 "[ . 1 . 2]" 1
348 1 25 ILE H 1 25 ILE HB . . 3.550 2.572 2.197 3.248 . 0 0 "[ . 1 . 2]" 1
349 1 25 ILE H 1 26 LEU H . . 4.610 4.411 4.202 4.545 . 0 0 "[ . 1 . 2]" 1
350 1 25 ILE H 1 26 LEU MD1 . . 6.790 4.389 3.117 5.582 . 0 0 "[ . 1 . 2]" 1
351 1 25 ILE H 1 26 LEU HG . . 7.000 3.896 3.247 4.666 . 0 0 "[ . 1 . 2]" 1
352 1 25 ILE HA 1 25 ILE MD . . 4.530 2.308 1.846 2.749 . 0 0 "[ . 1 . 2]" 1
353 1 25 ILE HA 1 26 LEU H . . 2.630 2.206 2.177 2.266 . 0 0 "[ . 1 . 2]" 1
354 1 25 ILE HA 1 26 LEU HG . . 7.000 3.570 2.999 4.206 . 0 0 "[ . 1 . 2]" 1
355 1 25 ILE HB 1 26 LEU H . . 6.030 4.339 3.852 4.586 . 0 0 "[ . 1 . 2]" 1
356 1 25 ILE MD 1 26 LEU H . . 5.540 3.481 1.908 4.584 . 0 0 "[ . 1 . 2]" 1
357 1 26 LEU H 1 26 LEU HB2 . . 4.190 3.102 2.815 3.464 . 0 0 "[ . 1 . 2]" 1
358 1 26 LEU H 1 26 LEU HB3 . . 3.960 3.885 3.774 3.941 . 0 0 "[ . 1 . 2]" 1
359 1 26 LEU H 1 26 LEU HG . . 4.980 2.897 2.147 3.571 . 0 0 "[ . 1 . 2]" 1
360 1 26 LEU H 1 27 ARG H . . 4.160 4.362 4.257 4.409 0.249 16 0 "[ . 1 . 2]" 1
361 1 26 LEU HA 1 26 LEU MD2 . . 4.620 3.290 2.879 3.743 . 0 0 "[ . 1 . 2]" 1
362 1 26 LEU HA 1 26 LEU HG . . 3.690 2.942 2.519 3.560 . 0 0 "[ . 1 . 2]" 1
363 1 26 LEU HA 1 27 ARG H . . 2.720 2.625 2.219 2.759 0.039 19 0 "[ . 1 . 2]" 1
364 1 26 LEU HA 1 27 ARG HA . . 5.160 4.398 4.286 4.455 . 0 0 "[ . 1 . 2]" 1
365 1 26 LEU HA 1 39 ALA MB . . 6.920 4.362 3.746 4.642 . 0 0 "[ . 1 . 2]" 1
366 1 26 LEU HA 1 40 GLU H . . 4.880 4.800 4.327 4.927 0.047 19 0 "[ . 1 . 2]" 1
367 1 26 LEU HA 1 42 SER H . . 3.870 3.955 3.878 4.042 0.172 18 0 "[ . 1 . 2]" 1
368 1 26 LEU HB2 1 27 ARG H . . 6.170 2.886 2.250 4.117 . 0 0 "[ . 1 . 2]" 1
369 1 26 LEU HB2 1 28 ILE MD . . 4.850 4.034 3.688 4.120 . 0 0 "[ . 1 . 2]" 1
370 1 26 LEU HB3 1 27 ARG H . . 4.420 2.568 2.234 3.200 . 0 0 "[ . 1 . 2]" 1
371 1 26 LEU HB3 1 27 ARG HA . . 5.800 4.951 4.761 5.370 . 0 0 "[ . 1 . 2]" 1
372 1 26 LEU HB3 1 28 ILE MD . . 6.560 5.061 4.443 5.484 . 0 0 "[ . 1 . 2]" 1
373 1 26 LEU HB3 1 40 GLU H . . 4.560 3.784 3.479 4.313 . 0 0 "[ . 1 . 2]" 1
374 1 26 LEU MD1 1 39 ALA MB . . 6.430 3.203 2.298 3.980 . 0 0 "[ . 1 . 2]" 1
375 1 26 LEU MD1 1 54 VAL HB . . 7.020 3.673 3.136 4.505 . 0 0 "[ . 1 . 2]" 1
376 1 26 LEU MD2 1 27 ARG H . . 8.030 4.211 3.834 4.695 . 0 0 "[ . 1 . 2]" 1
377 1 26 LEU MD2 1 40 GLU H . . 8.030 4.899 4.419 5.815 . 0 0 "[ . 1 . 2]" 1
378 1 26 LEU MD2 1 41 ASP H . . 6.330 3.966 3.192 5.040 . 0 0 "[ . 1 . 2]" 1
379 1 26 LEU MD2 1 41 ASP HB2 . . 6.970 3.454 2.642 4.486 . 0 0 "[ . 1 . 2]" 1
380 1 26 LEU MD2 1 41 ASP HB3 . . 6.880 4.151 2.869 5.642 . 0 0 "[ . 1 . 2]" 1
381 1 26 LEU MD2 1 42 SER H . . 7.250 3.620 2.985 5.090 . 0 0 "[ . 1 . 2]" 1
382 1 26 LEU HG 1 27 ARG H . . 4.520 4.691 4.584 4.794 0.274 11 0 "[ . 1 . 2]" 1
383 1 26 LEU HG 1 40 GLU H . . 7.000 6.394 5.955 6.610 . 0 0 "[ . 1 . 2]" 1
384 1 26 LEU HG 1 41 ASP HA . . 7.000 3.771 2.499 5.127 . 0 0 "[ . 1 . 2]" 1
385 1 27 ARG H 1 28 ILE MD . . 8.030 4.378 3.934 4.958 . 0 0 "[ . 1 . 2]" 1
386 1 27 ARG H 1 39 ALA HA . . 5.070 4.345 4.071 4.885 . 0 0 "[ . 1 . 2]" 1
387 1 27 ARG H 1 39 ALA MB . . 6.690 2.880 2.524 3.427 . 0 0 "[ . 1 . 2]" 1
388 1 27 ARG H 1 40 GLU HA . . 5.530 4.559 4.399 4.868 . 0 0 "[ . 1 . 2]" 1
389 1 27 ARG H 1 40 GLU HB2 . . 3.830 3.927 3.868 4.005 0.175 18 0 "[ . 1 . 2]" 1
390 1 27 ARG H 1 40 GLU HB3 . . 5.990 4.220 4.065 4.350 . 0 0 "[ . 1 . 2]" 1
391 1 27 ARG H 1 41 ASP HA . . 5.070 4.196 4.004 4.354 . 0 0 "[ . 1 . 2]" 1
392 1 27 ARG HA 1 27 ARG HG2 . . 4.470 3.309 2.637 4.249 . 0 0 "[ . 1 . 2]" 1
393 1 27 ARG HA 1 28 ILE H . . 2.770 2.362 2.305 2.446 . 0 0 "[ . 1 . 2]" 1
394 1 27 ARG HA 1 28 ILE HB . . 4.010 4.160 4.103 4.271 0.261 10 0 "[ . 1 . 2]" 1
395 1 27 ARG HA 1 28 ILE MD . . 8.030 3.592 3.147 3.988 . 0 0 "[ . 1 . 2]" 1
396 1 27 ARG HA 1 39 ALA MB . . 8.030 3.865 3.615 4.062 . 0 0 "[ . 1 . 2]" 1
397 1 27 ARG HG2 1 28 ILE H . . 5.850 3.788 1.950 5.174 . 0 0 "[ . 1 . 2]" 1
398 1 27 ARG HG3 1 28 ILE H . . 4.380 3.717 1.918 4.440 0.060 3 0 "[ . 1 . 2]" 1
399 1 27 ARG HG3 1 28 ILE HB . . 6.260 5.616 3.802 6.360 0.100 19 0 "[ . 1 . 2]" 1
400 1 28 ILE H 1 28 ILE HB . . 3.180 2.119 2.075 2.212 . 0 0 "[ . 1 . 2]" 1
401 1 28 ILE H 1 39 ALA MB . . 8.030 3.813 3.351 4.059 . 0 0 "[ . 1 . 2]" 1
402 1 28 ILE HA 1 29 ARG H . . 2.950 2.178 2.176 2.184 . 0 0 "[ . 1 . 2]" 1
403 1 28 ILE HA 1 29 ARG HB3 . . 4.420 4.473 4.356 4.548 0.128 9 0 "[ . 1 . 2]" 1
404 1 28 ILE HA 1 30 ASP H . . 3.960 3.981 3.668 4.129 0.169 18 0 "[ . 1 . 2]" 1
405 1 28 ILE HA 1 39 ALA HA . . 3.920 2.319 2.069 2.529 . 0 0 "[ . 1 . 2]" 1
406 1 28 ILE HA 1 39 ALA MB . . 4.950 2.281 1.919 2.802 . 0 0 "[ . 1 . 2]" 1
407 1 28 ILE HA 1 40 GLU H . . 3.830 3.881 3.756 3.985 0.155 10 0 "[ . 1 . 2]" 1
408 1 28 ILE HB 1 29 ARG H . . 6.260 4.613 4.557 4.657 . 0 0 "[ . 1 . 2]" 1
409 1 28 ILE HB 1 29 ARG HA . . 5.670 5.549 5.395 5.712 0.042 15 0 "[ . 1 . 2]" 1
410 1 28 ILE MD 1 29 ARG H . . 5.360 3.804 3.494 4.231 . 0 0 "[ . 1 . 2]" 1
411 1 28 ILE MD 1 37 TRP HB2 . . 7.570 3.316 2.829 4.150 . 0 0 "[ . 1 . 2]" 1
412 1 28 ILE MD 1 37 TRP HB3 . . 6.560 2.887 2.478 3.734 . 0 0 "[ . 1 . 2]" 1
413 1 28 ILE MD 1 37 TRP HZ3 . . 7.840 3.809 3.352 4.265 . 0 0 "[ . 1 . 2]" 1
414 1 28 ILE MD 1 39 ALA HA . . 8.030 3.212 2.844 3.700 . 0 0 "[ . 1 . 2]" 1
415 1 29 ARG H 1 29 ARG HB2 . . 3.550 3.078 2.868 3.701 0.151 9 0 "[ . 1 . 2]" 1
416 1 29 ARG H 1 30 ASP H . . 2.950 2.181 1.979 2.389 . 0 0 "[ . 1 . 2]" 1
417 1 29 ARG H 1 39 ALA H . . 5.620 4.585 4.389 4.739 . 0 0 "[ . 1 . 2]" 1
418 1 29 ARG H 1 39 ALA HA . . 3.040 2.201 2.083 2.411 . 0 0 "[ . 1 . 2]" 1
419 1 29 ARG H 1 39 ALA MB . . 6.790 3.562 3.398 3.861 . 0 0 "[ . 1 . 2]" 1
420 1 29 ARG H 1 40 GLU H . . 3.920 3.989 3.921 4.066 0.146 8 0 "[ . 1 . 2]" 1
421 1 29 ARG HA 1 30 ASP H . . 3.730 3.627 3.575 3.642 . 0 0 "[ . 1 . 2]" 1
422 1 29 ARG HB2 1 30 ASP H . . 3.830 3.900 3.817 3.980 0.150 20 0 "[ . 1 . 2]" 1
423 1 29 ARG HB3 1 30 ASP H . . 4.190 2.687 2.374 3.982 . 0 0 "[ . 1 . 2]" 1
424 1 29 ARG HB3 1 30 ASP HB3 . . 7.000 5.202 4.395 6.788 . 0 0 "[ . 1 . 2]" 1
425 1 29 ARG HB3 1 38 ASN HB3 . . 7.000 3.971 3.339 5.566 . 0 0 "[ . 1 . 2]" 1
426 1 30 ASP H 1 38 ASN H . . 3.690 3.700 3.577 3.809 0.119 12 0 "[ . 1 . 2]" 1
427 1 30 ASP H 1 38 ASN HB2 . . 6.680 3.973 2.758 4.427 . 0 0 "[ . 1 . 2]" 1
428 1 30 ASP H 1 38 ASN HB3 . . 6.400 2.504 2.173 3.774 . 0 0 "[ . 1 . 2]" 1
429 1 30 ASP H 1 39 ALA HA . . 4.700 3.796 3.550 3.951 . 0 0 "[ . 1 . 2]" 1
430 1 30 ASP HA 1 31 LYS H . . 3.600 2.555 2.259 2.758 . 0 0 "[ . 1 . 2]" 1
431 1 30 ASP HB2 1 31 LYS H . . 4.880 3.572 2.024 4.453 . 0 0 "[ . 1 . 2]" 1
432 1 30 ASP HB3 1 31 LYS H . . 5.570 2.903 1.952 3.627 . 0 0 "[ . 1 . 2]" 1
433 1 30 ASP HB3 1 38 ASN H . . 6.310 4.764 3.738 6.208 . 0 0 "[ . 1 . 2]" 1
434 1 31 LYS H 1 31 LYS HB2 . . 4.330 3.386 2.657 4.068 . 0 0 "[ . 1 . 2]" 1
435 1 31 LYS H 1 31 LYS HB3 . . 4.010 3.479 2.765 3.864 . 0 0 "[ . 1 . 2]" 1
436 1 31 LYS HA 1 33 GLU H . . 4.980 3.956 3.427 4.661 . 0 0 "[ . 1 . 2]" 1
437 1 31 LYS HA 1 37 TRP HA . . 4.010 2.756 2.591 3.059 . 0 0 "[ . 1 . 2]" 1
438 1 31 LYS HA 1 37 TRP HB3 . . 7.000 4.128 3.631 4.663 . 0 0 "[ . 1 . 2]" 1
439 1 31 LYS HA 1 37 TRP HD1 . . 6.590 3.420 2.792 3.864 . 0 0 "[ . 1 . 2]" 1
440 1 31 LYS HA 1 38 ASN H . . 4.190 2.480 2.042 2.831 . 0 0 "[ . 1 . 2]" 1
441 1 31 LYS HA 1 48 MET ME . . 7.340 5.205 3.225 6.191 . 0 0 "[ . 1 . 2]" 1
442 1 31 LYS HB2 1 37 TRP HD1 . . 7.000 3.557 1.992 4.832 . 0 0 "[ . 1 . 2]" 1
443 1 31 LYS HB2 1 37 TRP HE1 . . 5.670 4.091 2.351 5.370 . 0 0 "[ . 1 . 2]" 1
444 1 31 LYS HB2 1 37 TRP HZ2 . . 7.000 5.849 4.394 7.047 0.047 3 0 "[ . 1 . 2]" 1
445 1 31 LYS HB3 1 37 TRP HE1 . . 6.720 4.096 2.541 5.417 . 0 0 "[ . 1 . 2]" 1
446 1 31 LYS HG2 1 37 TRP HB2 . . 7.000 6.056 3.625 7.022 0.022 14 0 "[ . 1 . 2]" 1
447 1 31 LYS HG2 1 37 TRP HD1 . . 7.000 4.070 2.475 5.703 . 0 0 "[ . 1 . 2]" 1
448 1 32 PRO HA 1 33 GLU H . . 3.500 3.522 3.460 3.541 0.041 4 0 "[ . 1 . 2]" 1
449 1 32 PRO QD 1 38 ASN H . . 6.400 2.660 2.145 3.557 . 0 0 "[ . 1 . 2]" 1
450 1 32 PRO QG 1 38 ASN H . . 7.460 4.309 3.521 5.460 . 0 0 "[ . 1 . 2]" 1
451 1 33 GLU H 1 33 GLU HB2 . . 3.730 2.654 2.380 2.916 . 0 0 "[ . 1 . 2]" 1
452 1 33 GLU H 1 33 GLU HB3 . . 4.290 3.712 3.598 3.872 . 0 0 "[ . 1 . 2]" 1
453 1 33 GLU H 1 34 GLU H . . 5.300 4.115 3.127 4.491 . 0 0 "[ . 1 . 2]" 1
454 1 33 GLU H 1 36 TRP H . . 4.380 4.278 3.852 4.501 0.121 7 0 "[ . 1 . 2]" 1
455 1 33 GLU H 1 37 TRP HA . . 4.840 4.241 3.285 4.848 0.008 14 0 "[ . 1 . 2]" 1
456 1 33 GLU H 1 37 TRP HE1 . . 7.000 5.530 4.809 5.956 . 0 0 "[ . 1 . 2]" 1
457 1 33 GLU H 1 48 MET ME . . 6.420 4.480 3.589 5.163 . 0 0 "[ . 1 . 2]" 1
458 1 33 GLU HA 1 34 GLU H . . 3.730 2.974 2.726 3.542 . 0 0 "[ . 1 . 2]" 1
459 1 33 GLU HA 1 34 GLU HG2 . . 6.860 5.450 4.298 6.803 . 0 0 "[ . 1 . 2]" 1
460 1 33 GLU HA 1 35 GLN H . . 5.710 4.775 4.179 5.760 0.050 11 0 "[ . 1 . 2]" 1
461 1 33 GLU HB2 1 34 GLU H . . 3.690 2.622 1.939 2.999 . 0 0 "[ . 1 . 2]" 1
462 1 33 GLU HB2 1 34 GLU HA . . 4.560 4.551 4.400 4.589 0.029 11 0 "[ . 1 . 2]" 1
463 1 33 GLU HB2 1 35 GLN H . . 4.560 3.145 2.312 3.984 . 0 0 "[ . 1 . 2]" 1
464 1 33 GLU HB2 1 36 TRP H . . 3.370 2.553 2.096 3.388 0.018 3 0 "[ . 1 . 2]" 1
465 1 33 GLU HB2 1 36 TRP HB3 . . 6.260 4.717 3.406 6.087 . 0 0 "[ . 1 . 2]" 1
466 1 33 GLU HB2 1 36 TRP HD1 . . 6.170 4.717 4.073 5.587 . 0 0 "[ . 1 . 2]" 1
467 1 33 GLU HB3 1 34 GLU H . . 4.290 2.102 1.942 2.269 . 0 0 "[ . 1 . 2]" 1
468 1 33 GLU HB3 1 35 GLN H . . 6.770 3.152 2.731 4.071 . 0 0 "[ . 1 . 2]" 1
469 1 33 GLU HB3 1 36 TRP H . . 4.750 3.737 3.066 4.659 . 0 0 "[ . 1 . 2]" 1
470 1 33 GLU HB3 1 36 TRP HD1 . . 7.000 5.522 4.451 6.623 . 0 0 "[ . 1 . 2]" 1
471 1 33 GLU QG 1 34 GLU H . . 6.270 4.006 3.777 4.186 . 0 0 "[ . 1 . 2]" 1
472 1 33 GLU QG 1 35 GLN H . . 7.370 4.820 4.178 5.716 . 0 0 "[ . 1 . 2]" 1
473 1 34 GLU H 1 34 GLU HG2 . . 5.110 3.643 1.939 5.002 . 0 0 "[ . 1 . 2]" 1
474 1 34 GLU H 1 34 GLU HG3 . . 5.160 3.833 2.401 4.878 . 0 0 "[ . 1 . 2]" 1
475 1 34 GLU H 1 35 GLN H . . 3.230 2.140 1.903 2.667 . 0 0 "[ . 1 . 2]" 1
476 1 34 GLU H 1 35 GLN HG3 . . 7.000 4.638 3.629 6.504 . 0 0 "[ . 1 . 2]" 1
477 1 34 GLU H 1 36 TRP H . . 5.340 3.395 2.584 4.390 . 0 0 "[ . 1 . 2]" 1
478 1 34 GLU HA 1 35 GLN H . . 4.190 3.505 3.103 3.645 . 0 0 "[ . 1 . 2]" 1
479 1 34 GLU HA 1 37 TRP HE1 . . 5.620 2.353 1.934 3.417 . 0 0 "[ . 1 . 2]" 1
480 1 34 GLU HG2 1 35 GLN H . . 5.760 4.111 1.932 5.440 . 0 0 "[ . 1 . 2]" 1
481 1 35 GLN H 1 35 GLN HB2 . . 3.460 2.749 2.205 3.580 0.120 7 0 "[ . 1 . 2]" 1
482 1 35 GLN H 1 35 GLN HB3 . . 4.060 3.173 2.193 3.684 . 0 0 "[ . 1 . 2]" 1
483 1 35 GLN H 1 35 GLN HG2 . . 3.920 3.140 1.930 4.061 0.141 20 0 "[ . 1 . 2]" 1
484 1 35 GLN H 1 36 TRP H . . 3.040 2.447 1.908 2.828 . 0 0 "[ . 1 . 2]" 1
485 1 35 GLN H 1 36 TRP HD1 . . 7.000 4.622 4.090 5.340 . 0 0 "[ . 1 . 2]" 1
486 1 35 GLN HA 1 36 TRP H . . 3.830 3.578 3.455 3.628 . 0 0 "[ . 1 . 2]" 1
487 1 35 GLN HA 1 51 VAL H . . 4.420 4.155 3.551 4.512 0.092 10 0 "[ . 1 . 2]" 1
488 1 35 GLN HA 1 51 VAL HB . . 4.750 3.741 3.326 4.783 0.033 7 0 "[ . 1 . 2]" 1
489 1 35 GLN HA 1 51 VAL MG1 . . 5.770 4.609 3.175 4.807 . 0 0 "[ . 1 . 2]" 1
490 1 35 GLN HA 1 51 VAL MG2 . . 6.330 3.598 1.922 4.688 . 0 0 "[ . 1 . 2]" 1
491 1 35 GLN HB2 1 36 TRP H . . 5.210 3.238 2.516 4.263 . 0 0 "[ . 1 . 2]" 1
492 1 35 GLN HB2 1 36 TRP HA . . 6.030 4.886 4.562 5.736 . 0 0 "[ . 1 . 2]" 1
493 1 35 GLN HB2 1 36 TRP HD1 . . 4.930 3.272 2.304 4.742 . 0 0 "[ . 1 . 2]" 1
494 1 35 GLN HB3 1 36 TRP H . . 6.770 3.666 2.808 4.338 . 0 0 "[ . 1 . 2]" 1
495 1 35 GLN HB3 1 36 TRP HD1 . . 5.900 3.299 2.202 5.117 . 0 0 "[ . 1 . 2]" 1
496 1 35 GLN HB3 1 36 TRP HE1 . . 7.000 4.743 3.631 6.789 . 0 0 "[ . 1 . 2]" 1
497 1 35 GLN HB3 1 51 VAL HB . . 7.000 5.780 5.285 7.089 0.089 7 0 "[ . 1 . 2]" 1
498 1 36 TRP H 1 36 TRP HB2 . . 3.780 2.438 2.311 2.608 . 0 0 "[ . 1 . 2]" 1
499 1 36 TRP H 1 37 TRP H . . 5.300 4.451 4.306 4.522 . 0 0 "[ . 1 . 2]" 1
500 1 36 TRP H 1 37 TRP HE1 . . 7.000 5.359 4.951 5.729 . 0 0 "[ . 1 . 2]" 1
501 1 36 TRP HA 1 36 TRP HE3 . . 4.980 3.406 2.889 3.841 . 0 0 "[ . 1 . 2]" 1
502 1 36 TRP HA 1 37 TRP H . . 2.860 2.275 2.224 2.361 . 0 0 "[ . 1 . 2]" 1
503 1 36 TRP HA 1 37 TRP HA . . 4.330 4.409 4.398 4.433 0.103 10 0 "[ . 1 . 2]" 1
504 1 36 TRP HA 1 49 ILE H . . 4.470 3.972 3.627 4.532 0.062 5 0 "[ . 1 . 2]" 1
505 1 36 TRP HA 1 50 PRO HA . . 4.060 2.809 2.489 3.044 . 0 0 "[ . 1 . 2]" 1
506 1 36 TRP HA 1 50 PRO HB2 . . 7.000 5.499 5.215 5.735 . 0 0 "[ . 1 . 2]" 1
507 1 36 TRP HA 1 51 VAL H . . 3.690 3.551 3.196 3.789 0.099 9 0 "[ . 1 . 2]" 1
508 1 36 TRP HB2 1 37 TRP H . . 6.080 4.253 4.118 4.385 . 0 0 "[ . 1 . 2]" 1
509 1 36 TRP HB2 1 48 MET ME . . 6.420 3.676 2.271 5.310 . 0 0 "[ . 1 . 2]" 1
510 1 36 TRP HB2 1 50 PRO HA . . 7.000 5.421 5.106 5.685 . 0 0 "[ . 1 . 2]" 1
511 1 36 TRP HB3 1 37 TRP H . . 4.330 3.139 2.863 3.378 . 0 0 "[ . 1 . 2]" 1
512 1 36 TRP HB3 1 48 MET HB2 . . 7.000 3.751 2.045 4.771 . 0 0 "[ . 1 . 2]" 1
513 1 36 TRP HB3 1 48 MET ME . . 8.030 3.212 1.973 4.586 . 0 0 "[ . 1 . 2]" 1
514 1 36 TRP HE3 1 37 TRP H . . 6.450 3.480 2.611 4.007 . 0 0 "[ . 1 . 2]" 1
515 1 36 TRP HE3 1 48 MET HA . . 7.000 3.656 3.336 3.982 . 0 0 "[ . 1 . 2]" 1
516 1 36 TRP HE3 1 48 MET HB2 . . 7.000 3.263 2.207 3.826 . 0 0 "[ . 1 . 2]" 1
517 1 36 TRP HE3 1 48 MET HB3 . . 7.000 2.477 1.879 4.288 . 0 0 "[ . 1 . 2]" 1
518 1 36 TRP HE3 1 48 MET ME . . 6.230 4.170 2.902 5.262 . 0 0 "[ . 1 . 2]" 1
519 1 36 TRP HE3 1 49 ILE H . . 5.710 2.617 2.219 2.938 . 0 0 "[ . 1 . 2]" 1
520 1 36 TRP HE3 1 49 ILE HA . . 7.000 2.689 2.125 3.441 . 0 0 "[ . 1 . 2]" 1
521 1 36 TRP HE3 1 50 PRO HA . . 6.220 4.123 3.865 4.546 . 0 0 "[ . 1 . 2]" 1
522 1 36 TRP HH2 1 50 PRO HA . . 7.000 5.474 5.217 6.089 . 0 0 "[ . 1 . 2]" 1
523 1 36 TRP HH2 1 50 PRO HB2 . . 7.000 5.789 5.399 6.552 . 0 0 "[ . 1 . 2]" 1
524 1 36 TRP HH2 1 50 PRO HB3 . . 5.390 4.449 4.050 5.276 . 0 0 "[ . 1 . 2]" 1
525 1 36 TRP HH2 1 50 PRO HD3 . . 6.860 3.070 2.788 3.323 . 0 0 "[ . 1 . 2]" 1
526 1 36 TRP HH2 1 50 PRO HG2 . . 7.000 4.994 4.611 5.570 . 0 0 "[ . 1 . 2]" 1
527 1 36 TRP HZ2 1 50 PRO HA . . 7.000 5.322 4.882 5.772 . 0 0 "[ . 1 . 2]" 1
528 1 36 TRP HZ2 1 50 PRO HB2 . . 7.000 5.667 5.332 5.941 . 0 0 "[ . 1 . 2]" 1
529 1 36 TRP HZ2 1 50 PRO HB3 . . 6.080 3.996 3.611 4.345 . 0 0 "[ . 1 . 2]" 1
530 1 36 TRP HZ2 1 50 PRO HG2 . . 5.710 5.808 5.728 5.900 0.190 10 0 "[ . 1 . 2]" 1
531 1 36 TRP HZ3 1 48 MET HB3 . . 7.000 4.117 2.710 6.086 . 0 0 "[ . 1 . 2]" 1
532 1 36 TRP HZ3 1 49 ILE HA . . 5.570 2.010 1.940 2.119 . 0 0 "[ . 1 . 2]" 1
533 1 36 TRP HZ3 1 50 PRO HB2 . . 7.000 6.060 5.599 6.860 . 0 0 "[ . 1 . 2]" 1
534 1 36 TRP HZ3 1 50 PRO HD2 . . 4.880 3.940 3.588 4.459 . 0 0 "[ . 1 . 2]" 1
535 1 36 TRP HZ3 1 50 PRO HD3 . . 5.990 2.388 1.968 3.034 . 0 0 "[ . 1 . 2]" 1
536 1 36 TRP HZ3 1 50 PRO HG2 . . 6.590 5.229 4.768 5.928 . 0 0 "[ . 1 . 2]" 1
537 1 37 TRP H 1 37 TRP HB2 . . 3.730 2.492 2.425 2.567 . 0 0 "[ . 1 . 2]" 1
538 1 37 TRP H 1 37 TRP HB3 . . 4.290 3.636 3.567 3.715 . 0 0 "[ . 1 . 2]" 1
539 1 37 TRP H 1 38 ASN H . . 6.450 4.435 4.370 4.482 . 0 0 "[ . 1 . 2]" 1
540 1 37 TRP H 1 48 MET HA . . 4.010 4.069 3.915 4.211 0.201 9 0 "[ . 1 . 2]" 1
541 1 37 TRP H 1 49 ILE H . . 3.460 2.410 2.186 2.741 . 0 0 "[ . 1 . 2]" 1
542 1 37 TRP H 1 51 VAL H . . 5.760 4.539 4.284 4.838 . 0 0 "[ . 1 . 2]" 1
543 1 37 TRP HA 1 37 TRP HD1 . . 4.840 2.089 1.973 2.212 . 0 0 "[ . 1 . 2]" 1
544 1 37 TRP HA 1 38 ASN H . . 3.410 2.346 2.237 2.677 . 0 0 "[ . 1 . 2]" 1
545 1 37 TRP HA 1 38 ASN HA . . 4.450 4.328 4.303 4.426 . 0 0 "[ . 1 . 2]" 1
546 1 37 TRP HA 1 38 ASN HB2 . . 4.650 4.314 4.053 4.628 . 0 0 "[ . 1 . 2]" 1
547 1 37 TRP HA 1 38 ASN HB3 . . 5.850 4.971 4.513 5.707 . 0 0 "[ . 1 . 2]" 1
548 1 37 TRP HA 1 48 MET ME . . 6.690 4.633 2.326 5.701 . 0 0 "[ . 1 . 2]" 1
549 1 37 TRP HA 1 49 ILE H . . 4.490 4.392 4.234 4.568 0.078 19 0 "[ . 1 . 2]" 1
550 1 37 TRP HB2 1 38 ASN H . . 4.470 4.112 3.531 4.355 . 0 0 "[ . 1 . 2]" 1
551 1 37 TRP HB2 1 39 ALA MB . . 8.030 4.157 3.764 4.469 . 0 0 "[ . 1 . 2]" 1
552 1 37 TRP HB3 1 38 ASN H . . 3.960 2.927 2.109 3.297 . 0 0 "[ . 1 . 2]" 1
553 1 37 TRP HB3 1 39 ALA MB . . 8.030 3.891 3.593 4.127 . 0 0 "[ . 1 . 2]" 1
554 1 37 TRP HB3 1 51 VAL HA . . 5.900 5.927 5.410 6.077 0.177 15 0 "[ . 1 . 2]" 1
555 1 37 TRP HD1 1 38 ASN H . . 7.000 4.168 3.891 4.379 . 0 0 "[ . 1 . 2]" 1
556 1 37 TRP HE1 1 51 VAL MG1 . . 6.420 4.802 3.859 5.265 . 0 0 "[ . 1 . 2]" 1
557 1 37 TRP HE1 1 51 VAL MG2 . . 8.030 3.434 2.763 5.281 . 0 0 "[ . 1 . 2]" 1
558 1 37 TRP HE3 1 39 ALA MB . . 8.030 4.629 4.395 4.830 . 0 0 "[ . 1 . 2]" 1
559 1 37 TRP HE3 1 51 VAL HA . . 6.490 4.243 3.645 4.586 . 0 0 "[ . 1 . 2]" 1
560 1 37 TRP HH2 1 51 VAL MG1 . . 6.970 3.461 2.633 4.446 . 0 0 "[ . 1 . 2]" 1
561 1 37 TRP HH2 1 51 VAL MG2 . . 6.690 3.874 3.340 5.443 . 0 0 "[ . 1 . 2]" 1
562 1 37 TRP HZ2 1 51 VAL MG1 . . 6.740 3.756 2.605 4.621 . 0 0 "[ . 1 . 2]" 1
563 1 37 TRP HZ2 1 51 VAL MG2 . . 7.380 3.464 2.967 5.169 . 0 0 "[ . 1 . 2]" 1
564 1 37 TRP HZ3 1 51 VAL MG1 . . 8.030 3.537 2.469 4.378 . 0 0 "[ . 1 . 2]" 1
565 1 37 TRP HZ3 1 51 VAL MG2 . . 8.030 3.613 2.759 5.507 . 0 0 "[ . 1 . 2]" 1
566 1 37 TRP HZ3 1 54 VAL MG2 . . 6.000 4.600 4.079 5.038 . 0 0 "[ . 1 . 2]" 1
567 1 37 TRP HZ3 1 56 LYS HD2 . . 6.910 3.430 2.138 5.402 . 0 0 "[ . 1 . 2]" 1
568 1 38 ASN H 1 38 ASN HB2 . . 3.730 2.529 2.245 3.073 . 0 0 "[ . 1 . 2]" 1
569 1 38 ASN H 1 38 ASN HB3 . . 3.960 2.736 2.307 3.566 . 0 0 "[ . 1 . 2]" 1
570 1 38 ASN H 1 39 ALA H . . 5.480 4.132 3.919 4.273 . 0 0 "[ . 1 . 2]" 1
571 1 38 ASN H 1 48 MET HA . . 4.130 4.274 4.104 4.522 0.392 9 0 "[ . 1 . 2]" 1
572 1 38 ASN HA 1 39 ALA H . . 2.630 2.314 2.273 2.375 . 0 0 "[ . 1 . 2]" 1
573 1 38 ASN HA 1 39 ALA MB . . 7.150 4.099 4.050 4.159 . 0 0 "[ . 1 . 2]" 1
574 1 38 ASN HA 1 47 GLY H . . 4.840 4.141 3.951 4.431 . 0 0 "[ . 1 . 2]" 1
575 1 38 ASN HA 1 48 MET H . . 5.850 4.229 4.024 4.503 . 0 0 "[ . 1 . 2]" 1
576 1 38 ASN HA 1 48 MET HA . . 3.410 2.059 1.952 2.267 . 0 0 "[ . 1 . 2]" 1
577 1 38 ASN HA 1 49 ILE H . . 4.150 3.551 3.172 3.780 . 0 0 "[ . 1 . 2]" 1
578 1 38 ASN HB2 1 39 ALA H . . 4.840 4.670 4.539 4.738 . 0 0 "[ . 1 . 2]" 1
579 1 38 ASN HB3 1 39 ALA H . . 5.620 4.363 3.981 4.587 . 0 0 "[ . 1 . 2]" 1
580 1 38 ASN HB3 1 48 MET HA . . 7.000 4.928 4.348 5.159 . 0 0 "[ . 1 . 2]" 1
581 1 39 ALA H 1 47 GLY H . . 3.640 3.519 3.275 3.732 0.092 10 0 "[ . 1 . 2]" 1
582 1 39 ALA H 1 48 MET HA . . 3.730 3.266 3.031 3.540 . 0 0 "[ . 1 . 2]" 1
583 1 39 ALA HA 1 40 GLU H . . 2.860 2.475 2.398 2.518 . 0 0 "[ . 1 . 2]" 1
584 1 39 ALA MB 1 40 GLU H . . 5.310 2.562 2.441 2.679 . 0 0 "[ . 1 . 2]" 1
585 1 39 ALA MB 1 40 GLU HA . . 8.030 4.060 3.996 4.144 . 0 0 "[ . 1 . 2]" 1
586 1 39 ALA MB 1 47 GLY H . . 8.030 4.497 4.351 4.651 . 0 0 "[ . 1 . 2]" 1
587 1 39 ALA MB 1 49 ILE H . . 7.060 4.323 3.892 4.957 . 0 0 "[ . 1 . 2]" 1
588 1 40 GLU H 1 40 GLU HB2 . . 4.060 2.313 2.251 2.385 . 0 0 "[ . 1 . 2]" 1
589 1 40 GLU H 1 40 GLU HB3 . . 3.600 3.339 3.279 3.382 . 0 0 "[ . 1 . 2]" 1
590 1 40 GLU H 1 41 ASP HA . . 5.020 4.986 4.919 5.044 0.024 16 0 "[ . 1 . 2]" 1
591 1 40 GLU HA 1 41 ASP H . . 2.770 2.260 2.215 2.312 . 0 0 "[ . 1 . 2]" 1
592 1 40 GLU HA 1 46 ARG HA . . 3.000 2.419 2.214 2.632 . 0 0 "[ . 1 . 2]" 1
593 1 40 GLU HA 1 46 ARG HB2 . . 6.080 5.404 5.188 5.642 . 0 0 "[ . 1 . 2]" 1
594 1 40 GLU HA 1 46 ARG HG2 . . 6.820 4.116 3.954 4.582 . 0 0 "[ . 1 . 2]" 1
595 1 40 GLU HA 1 47 GLY H . . 4.420 3.252 3.101 3.382 . 0 0 "[ . 1 . 2]" 1
596 1 40 GLU HB3 1 41 ASP H . . 4.190 3.402 3.207 3.625 . 0 0 "[ . 1 . 2]" 1
597 1 40 GLU HB3 1 44 GLY HA3 . . 4.560 4.642 4.594 4.691 0.131 4 0 "[ . 1 . 2]" 1
598 1 40 GLU HB3 1 46 ARG HA . . 7.000 4.519 4.346 4.700 . 0 0 "[ . 1 . 2]" 1
599 1 40 GLU HG2 1 41 ASP H . . 5.070 3.304 3.021 3.552 . 0 0 "[ . 1 . 2]" 1
600 1 40 GLU HG2 1 44 GLY H . . 4.790 4.397 4.294 4.484 . 0 0 "[ . 1 . 2]" 1
601 1 40 GLU HG2 1 44 GLY HA2 . . 7.000 3.235 3.022 3.305 . 0 0 "[ . 1 . 2]" 1
602 1 40 GLU HG2 1 44 GLY HA3 . . 4.420 4.421 4.208 4.479 0.059 4 0 "[ . 1 . 2]" 1
603 1 40 GLU HG2 1 45 LYS H . . 3.320 3.353 3.179 3.417 0.097 3 0 "[ . 1 . 2]" 1
604 1 40 GLU HG2 1 45 LYS HA . . 4.420 3.522 3.386 3.735 . 0 0 "[ . 1 . 2]" 1
605 1 40 GLU HG2 1 46 ARG HA . . 7.000 2.727 2.587 3.008 . 0 0 "[ . 1 . 2]" 1
606 1 40 GLU HG2 1 46 ARG HG2 . . 3.920 2.363 2.113 2.766 . 0 0 "[ . 1 . 2]" 1
607 1 40 GLU HG3 1 41 ASP H . . 5.990 4.279 4.160 4.432 . 0 0 "[ . 1 . 2]" 1
608 1 40 GLU HG3 1 44 GLY H . . 6.310 5.990 5.928 6.057 . 0 0 "[ . 1 . 2]" 1
609 1 40 GLU HG3 1 44 GLY HA3 . . 7.000 6.013 5.773 6.163 . 0 0 "[ . 1 . 2]" 1
610 1 41 ASP H 1 41 ASP HB2 . . 3.870 2.257 2.098 2.548 . 0 0 "[ . 1 . 2]" 1
611 1 41 ASP H 1 43 GLU H . . 4.650 4.338 4.242 4.451 . 0 0 "[ . 1 . 2]" 1
612 1 41 ASP H 1 44 GLY H . . 4.380 3.383 3.179 3.588 . 0 0 "[ . 1 . 2]" 1
613 1 41 ASP H 1 45 LYS H . . 3.500 2.414 2.224 2.607 . 0 0 "[ . 1 . 2]" 1
614 1 41 ASP H 1 46 ARG HA . . 4.150 4.057 3.918 4.200 0.050 18 0 "[ . 1 . 2]" 1
615 1 41 ASP HA 1 42 SER H . . 2.950 2.523 2.473 2.575 . 0 0 "[ . 1 . 2]" 1
616 1 41 ASP HA 1 43 GLU H . . 5.620 3.977 3.958 4.005 . 0 0 "[ . 1 . 2]" 1
617 1 41 ASP HB2 1 42 SER H . . 4.790 3.994 3.516 4.152 . 0 0 "[ . 1 . 2]" 1
618 1 41 ASP HB2 1 43 GLU H . . 4.980 3.710 2.420 3.888 . 0 0 "[ . 1 . 2]" 1
619 1 41 ASP HB3 1 42 SER H . . 3.230 3.205 2.499 3.355 0.125 18 0 "[ . 1 . 2]" 1
620 1 41 ASP HB3 1 43 GLU H . . 5.710 2.227 2.078 2.744 . 0 0 "[ . 1 . 2]" 1
621 1 41 ASP HB3 1 44 GLY H . . 7.000 2.938 2.612 4.082 . 0 0 "[ . 1 . 2]" 1
622 1 42 SER H 1 43 GLU H . . 3.600 2.756 2.705 2.793 . 0 0 "[ . 1 . 2]" 1
623 1 42 SER H 1 44 GLY H . . 4.150 4.186 4.135 4.223 0.073 2 0 "[ . 1 . 2]" 1
624 1 42 SER HA 1 43 GLU H . . 4.420 3.481 3.451 3.498 . 0 0 "[ . 1 . 2]" 1
625 1 42 SER HA 1 44 GLY H . . 5.020 3.970 3.838 4.151 . 0 0 "[ . 1 . 2]" 1
626 1 43 GLU H 1 43 GLU HB2 . . 4.330 2.472 2.388 2.546 . 0 0 "[ . 1 . 2]" 1
627 1 43 GLU H 1 44 GLY HA2 . . 4.880 4.672 4.620 4.720 . 0 0 "[ . 1 . 2]" 1
628 1 43 GLU H 1 44 GLY HA3 . . 4.970 5.029 4.981 5.069 0.099 16 0 "[ . 1 . 2]" 1
629 1 43 GLU H 1 45 LYS H . . 4.010 3.622 3.511 3.703 . 0 0 "[ . 1 . 2]" 1
630 1 43 GLU HA 1 44 GLY H . . 3.830 3.515 3.479 3.543 . 0 0 "[ . 1 . 2]" 1
631 1 43 GLU HA 1 45 LYS H . . 6.170 5.043 4.903 5.131 . 0 0 "[ . 1 . 2]" 1
632 1 43 GLU HB2 1 44 GLY H . . 3.920 3.081 2.975 3.210 . 0 0 "[ . 1 . 2]" 1
633 1 43 GLU HB2 1 45 LYS H . . 3.270 3.261 3.120 3.351 0.081 13 0 "[ . 1 . 2]" 1
634 1 43 GLU HB2 1 45 LYS HG2 . . 4.520 2.516 1.970 3.552 . 0 0 "[ . 1 . 2]" 1
635 1 43 GLU HB2 1 45 LYS HG3 . . 3.640 3.249 2.501 3.724 0.084 19 0 "[ . 1 . 2]" 1
636 1 43 GLU HB3 1 44 GLY H . . 5.710 4.076 3.986 4.148 . 0 0 "[ . 1 . 2]" 1
637 1 43 GLU HB3 1 45 LYS H . . 6.170 4.564 4.344 4.791 . 0 0 "[ . 1 . 2]" 1
638 1 43 GLU HB3 1 45 LYS HG3 . . 7.000 4.725 3.612 5.277 . 0 0 "[ . 1 . 2]" 1
639 1 44 GLY H 1 44 GLY HA2 . . 2.860 2.360 2.329 2.408 . 0 0 "[ . 1 . 2]" 1
640 1 44 GLY H 1 44 GLY HA3 . . 3.090 2.943 2.931 2.957 . 0 0 "[ . 1 . 2]" 1
641 1 44 GLY H 1 45 LYS H . . 3.270 2.071 1.944 2.168 . 0 0 "[ . 1 . 2]" 1
642 1 44 GLY HA2 1 45 LYS H . . 3.730 3.024 3.000 3.076 . 0 0 "[ . 1 . 2]" 1
643 1 44 GLY HA2 1 45 LYS HA . . 4.430 4.555 4.516 4.609 0.179 6 0 "[ . 1 . 2]" 1
644 1 44 GLY HA3 1 45 LYS H . . 3.450 3.574 3.552 3.584 0.134 4 0 "[ . 1 . 2]" 1
645 1 45 LYS H 1 45 LYS HA . . 3.140 2.923 2.902 2.933 . 0 0 "[ . 1 . 2]" 1
646 1 45 LYS H 1 45 LYS HG3 . . 5.160 2.424 1.942 3.318 . 0 0 "[ . 1 . 2]" 1
647 1 45 LYS H 1 46 ARG H . . 4.310 4.429 4.384 4.508 0.198 18 0 "[ . 1 . 2]" 1
648 1 45 LYS HA 1 45 LYS HG2 . . 4.290 3.367 2.328 4.245 . 0 0 "[ . 1 . 2]" 1
649 1 45 LYS HA 1 45 LYS HG3 . . 4.470 3.627 3.546 3.789 . 0 0 "[ . 1 . 2]" 1
650 1 45 LYS HA 1 46 ARG H . . 2.450 2.183 2.176 2.213 . 0 0 "[ . 1 . 2]" 1
651 1 45 LYS HA 1 46 ARG HA . . 5.340 4.310 4.288 4.326 . 0 0 "[ . 1 . 2]" 1
652 1 45 LYS HA 1 46 ARG HB3 . . 6.130 5.591 5.520 5.653 . 0 0 "[ . 1 . 2]" 1
653 1 45 LYS HA 1 46 ARG HG2 . . 4.560 3.901 3.505 4.629 0.069 10 0 "[ . 1 . 2]" 1
654 1 45 LYS HG3 1 46 ARG H . . 7.000 5.015 4.398 5.630 . 0 0 "[ . 1 . 2]" 1
655 1 46 ARG H 1 46 ARG HB2 . . 3.270 2.822 2.659 2.947 . 0 0 "[ . 1 . 2]" 1
656 1 46 ARG H 1 46 ARG HB3 . . 4.010 3.572 3.541 3.601 . 0 0 "[ . 1 . 2]" 1
657 1 46 ARG H 1 46 ARG HG3 . . 3.960 2.006 1.877 2.387 . 0 0 "[ . 1 . 2]" 1
658 1 46 ARG H 1 47 GLY H . . 4.240 4.422 4.368 4.497 0.257 19 0 "[ . 1 . 2]" 1
659 1 46 ARG HA 1 47 GLY H . . 2.860 2.228 2.225 2.233 . 0 0 "[ . 1 . 2]" 1
660 1 46 ARG HB2 1 46 ARG HD2 . . 4.060 3.105 2.632 3.781 . 0 0 "[ . 1 . 2]" 1
661 1 46 ARG HB2 1 47 GLY H . . 4.840 4.151 3.962 4.285 . 0 0 "[ . 1 . 2]" 1
662 1 46 ARG HB3 1 47 GLY H . . 3.690 3.724 3.586 3.797 0.107 6 0 "[ . 1 . 2]" 1
663 1 46 ARG HG2 1 47 GLY H . . 7.000 4.943 4.858 5.027 . 0 0 "[ . 1 . 2]" 1
664 1 46 ARG HG3 1 47 GLY H . . 5.760 5.469 5.232 5.670 . 0 0 "[ . 1 . 2]" 1
665 1 47 GLY H 1 48 MET H . . 4.360 4.404 4.367 4.427 0.067 4 0 "[ . 1 . 2]" 1
666 1 47 GLY QA 1 48 MET H . . 4.100 2.311 2.246 2.333 . 0 0 "[ . 1 . 2]" 1
667 1 48 MET H 1 48 MET HB2 . . 4.100 2.443 2.062 3.649 . 0 0 "[ . 1 . 2]" 1
668 1 48 MET H 1 48 MET HB3 . . 3.600 3.324 2.633 3.578 . 0 0 "[ . 1 . 2]" 1
669 1 48 MET H 1 48 MET ME . . 5.130 4.043 2.821 4.376 . 0 0 "[ . 1 . 2]" 1
670 1 48 MET HA 1 49 ILE H . . 3.090 2.290 2.220 2.339 . 0 0 "[ . 1 . 2]" 1
671 1 48 MET HA 1 49 ILE HA . . 4.930 4.437 4.398 4.470 . 0 0 "[ . 1 . 2]" 1
672 1 48 MET HB2 1 49 ILE HA . . 5.070 4.859 4.376 5.295 0.225 10 0 "[ . 1 . 2]" 1
673 1 48 MET HB3 1 49 ILE HA . . 5.850 4.466 3.984 5.771 . 0 0 "[ . 1 . 2]" 1
674 1 48 MET ME 1 49 ILE H . . 8.030 4.474 2.460 5.523 . 0 0 "[ . 1 . 2]" 1
675 1 49 ILE H 1 50 PRO HD2 . . 7.000 4.954 4.867 5.015 . 0 0 "[ . 1 . 2]" 1
676 1 49 ILE H 1 50 PRO HD3 . . 7.000 4.650 4.476 4.779 . 0 0 "[ . 1 . 2]" 1
677 1 49 ILE HA 1 50 PRO HB2 . . 5.670 5.579 5.491 5.712 0.042 19 0 "[ . 1 . 2]" 1
678 1 49 ILE HA 1 50 PRO HD2 . . 3.270 2.728 2.515 3.010 . 0 0 "[ . 1 . 2]" 1
679 1 49 ILE HA 1 50 PRO HD3 . . 3.690 2.015 1.918 2.195 . 0 0 "[ . 1 . 2]" 1
680 1 49 ILE HA 1 50 PRO HG2 . . 7.000 4.652 4.496 4.877 . 0 0 "[ . 1 . 2]" 1
681 1 50 PRO HA 1 51 VAL H . . 2.810 2.208 2.165 2.291 . 0 0 "[ . 1 . 2]" 1
682 1 50 PRO HA 1 51 VAL HB . . 6.030 4.459 4.147 5.600 . 0 0 "[ . 1 . 2]" 1
683 1 50 PRO HA 1 53 TYR H . . 5.340 4.462 4.120 5.083 . 0 0 "[ . 1 . 2]" 1
684 1 50 PRO HB2 1 51 VAL H . . 4.380 3.398 3.102 3.604 . 0 0 "[ . 1 . 2]" 1
685 1 50 PRO HB2 1 53 TYR HB3 . . 6.860 3.531 3.292 4.393 . 0 0 "[ . 1 . 2]" 1
686 1 50 PRO HB2 1 53 TYR HD1 . . 7.000 3.620 2.634 4.006 . 0 0 "[ . 1 . 2]" 1
687 1 50 PRO HB3 1 51 VAL H . . 4.750 3.797 3.611 3.935 . 0 0 "[ . 1 . 2]" 1
688 1 50 PRO HB3 1 53 TYR H . . 5.160 3.893 3.600 4.555 . 0 0 "[ . 1 . 2]" 1
689 1 50 PRO HB3 1 53 TYR HD1 . . 4.700 4.669 3.973 4.902 0.202 9 0 "[ . 1 . 2]" 1
690 1 50 PRO HD2 1 53 TYR HB3 . . 7.000 3.785 2.947 4.085 . 0 0 "[ . 1 . 2]" 1
691 1 50 PRO HD2 1 53 TYR HD2 . . 7.000 4.799 3.788 5.587 . 0 0 "[ . 1 . 2]" 1
692 1 50 PRO HD3 1 53 TYR HB3 . . 7.000 4.816 4.597 5.174 . 0 0 "[ . 1 . 2]" 1
693 1 50 PRO HG2 1 53 TYR HB2 . . 7.000 1.732 1.578 1.901 . 0 0 "[ . 1 . 2]" 1
694 1 50 PRO HG2 1 53 TYR HB3 . . 7.000 2.152 1.918 2.910 . 0 0 "[ . 1 . 2]" 1
695 1 50 PRO HG2 1 53 TYR HD2 . . 6.540 3.242 2.664 3.745 . 0 0 "[ . 1 . 2]" 1
696 1 50 PRO HG3 1 53 TYR H . . 7.000 4.576 4.315 4.929 . 0 0 "[ . 1 . 2]" 1
697 1 50 PRO HG3 1 53 TYR HB2 . . 4.750 2.949 2.717 3.401 . 0 0 "[ . 1 . 2]" 1
698 1 50 PRO HG3 1 53 TYR HB3 . . 6.220 3.617 3.123 4.546 . 0 0 "[ . 1 . 2]" 1
699 1 50 PRO HG3 1 53 TYR HD1 . . 6.080 4.857 3.462 5.245 . 0 0 "[ . 1 . 2]" 1
700 1 50 PRO HG3 1 53 TYR HD2 . . 6.490 3.800 3.100 4.910 . 0 0 "[ . 1 . 2]" 1
701 1 51 VAL H 1 51 VAL HB . . 3.500 2.292 2.043 3.549 0.049 7 0 "[ . 1 . 2]" 1
702 1 51 VAL H 1 51 VAL MG1 . . 4.530 3.548 2.055 3.731 . 0 0 "[ . 1 . 2]" 1
703 1 51 VAL H 1 53 TYR H . . 5.110 4.125 3.770 4.757 . 0 0 "[ . 1 . 2]" 1
704 1 51 VAL HA 1 53 TYR H . . 6.080 4.559 3.487 5.661 . 0 0 "[ . 1 . 2]" 1
705 1 51 VAL HA 1 54 VAL H . . 4.840 3.798 3.140 4.714 . 0 0 "[ . 1 . 2]" 1
706 1 51 VAL HA 1 54 VAL MG1 . . 5.360 3.969 3.595 4.400 . 0 0 "[ . 1 . 2]" 1
707 1 51 VAL MG2 1 54 VAL MG2 . . 9.060 3.569 3.080 4.606 . 0 0 "[ . 1 . 2]" 1
708 1 52 PRO HA 1 52 PRO HB3 . . 2.950 2.303 2.301 2.304 . 0 0 "[ . 1 . 2]" 1
709 1 52 PRO HA 1 53 TYR H . . 4.240 3.462 3.280 3.538 . 0 0 "[ . 1 . 2]" 1
710 1 52 PRO HA 1 54 VAL H . . 5.390 3.697 3.437 4.460 . 0 0 "[ . 1 . 2]" 1
711 1 52 PRO HB2 1 53 TYR H . . 4.980 3.161 2.315 3.962 . 0 0 "[ . 1 . 2]" 1
712 1 52 PRO HB2 1 53 TYR HD1 . . 7.000 3.136 2.644 3.670 . 0 0 "[ . 1 . 2]" 1
713 1 52 PRO HB3 1 53 TYR H . . 5.940 4.138 3.660 4.579 . 0 0 "[ . 1 . 2]" 1
714 1 52 PRO HB3 1 53 TYR HD1 . . 7.000 4.809 4.230 5.224 . 0 0 "[ . 1 . 2]" 1
715 1 53 TYR H 1 53 TYR HB2 . . 3.500 2.003 1.926 2.136 . 0 0 "[ . 1 . 2]" 1
716 1 53 TYR H 1 53 TYR HB3 . . 3.830 3.272 3.115 3.436 . 0 0 "[ . 1 . 2]" 1
717 1 53 TYR H 1 54 VAL MG1 . . 6.920 3.656 3.104 4.234 . 0 0 "[ . 1 . 2]" 1
718 1 53 TYR H 1 54 VAL MG2 . . 7.380 4.085 3.403 4.980 . 0 0 "[ . 1 . 2]" 1
719 1 53 TYR HA 1 54 VAL H . . 4.610 3.351 2.860 3.588 . 0 0 "[ . 1 . 2]" 1
720 1 53 TYR HA 1 54 VAL MG1 . . 6.740 4.083 3.884 4.333 . 0 0 "[ . 1 . 2]" 1
721 1 53 TYR HB2 1 54 VAL H . . 5.210 3.496 2.731 4.301 . 0 0 "[ . 1 . 2]" 1
722 1 53 TYR HB2 1 54 VAL MG1 . . 8.030 3.127 2.842 3.567 . 0 0 "[ . 1 . 2]" 1
723 1 53 TYR HB3 1 53 TYR HD2 . . 3.960 2.327 2.310 2.380 . 0 0 "[ . 1 . 2]" 1
724 1 53 TYR HB3 1 54 VAL H . . 5.940 3.714 3.148 4.348 . 0 0 "[ . 1 . 2]" 1
725 1 53 TYR HB3 1 54 VAL MG2 . . 8.030 4.657 3.852 4.894 . 0 0 "[ . 1 . 2]" 1
726 1 53 TYR HD1 1 54 VAL H . . 7.000 4.956 4.531 5.216 . 0 0 "[ . 1 . 2]" 1
727 1 54 VAL H 1 54 VAL MG1 . . 4.720 2.645 2.140 3.066 . 0 0 "[ . 1 . 2]" 1
728 1 54 VAL H 1 55 GLU H . . 5.300 4.427 4.341 4.500 . 0 0 "[ . 1 . 2]" 1
729 1 54 VAL HA 1 55 GLU H . . 3.230 2.544 2.398 2.726 . 0 0 "[ . 1 . 2]" 1
730 1 54 VAL HB 1 55 GLU H . . 3.410 2.495 2.257 2.705 . 0 0 "[ . 1 . 2]" 1
731 1 54 VAL MG1 1 55 GLU H . . 6.420 3.939 3.713 4.090 . 0 0 "[ . 1 . 2]" 1
732 1 54 VAL MG2 1 55 GLU H . . 6.600 2.900 2.322 3.417 . 0 0 "[ . 1 . 2]" 1
733 1 54 VAL MG2 1 56 LYS H . . 8.030 5.254 4.827 5.757 . 0 0 "[ . 1 . 2]" 1
734 1 54 VAL MG2 1 56 LYS HD2 . . 7.750 5.019 3.651 6.300 . 0 0 "[ . 1 . 2]" 1
735 1 55 GLU H 1 55 GLU HB2 . . 4.060 2.994 2.640 3.735 . 0 0 "[ . 1 . 2]" 1
736 1 55 GLU H 1 55 GLU HB3 . . 4.240 3.794 3.561 3.896 . 0 0 "[ . 1 . 2]" 1
737 1 55 GLU H 1 55 GLU HG2 . . 4.980 2.957 2.514 3.260 . 0 0 "[ . 1 . 2]" 1
738 1 55 GLU H 1 55 GLU HG3 . . 4.470 2.913 1.897 4.137 . 0 0 "[ . 1 . 2]" 1
739 1 55 GLU H 1 56 LYS HA . . 4.700 4.757 4.622 4.853 0.153 19 0 "[ . 1 . 2]" 1
740 1 55 GLU HA 1 56 LYS H . . 3.230 2.878 2.774 2.967 . 0 0 "[ . 1 . 2]" 1
741 1 55 GLU HB2 1 56 LYS H . . 2.910 2.469 1.830 3.006 0.096 10 0 "[ . 1 . 2]" 1
742 1 55 GLU HB3 1 56 LYS H . . 3.550 2.251 1.850 3.265 . 0 0 "[ . 1 . 2]" 1
743 1 55 GLU HG2 1 56 LYS H . . 6.220 4.555 4.421 4.759 . 0 0 "[ . 1 . 2]" 1
744 1 55 GLU HG3 1 56 LYS H . . 4.470 4.510 4.025 4.708 0.238 15 0 "[ . 1 . 2]" 1
745 1 56 LYS H 1 56 LYS HD2 . . 6.490 4.566 3.939 5.369 . 0 0 "[ . 1 . 2]" 1
746 1 56 LYS H 1 56 LYS HD3 . . 7.000 4.560 2.937 5.831 . 0 0 "[ . 1 . 2]" 1
747 1 56 LYS HA 1 56 LYS HD2 . . 4.880 2.684 1.976 3.231 . 0 0 "[ . 1 . 2]" 1
748 1 56 LYS HA 1 57 TYR HB2 . . 4.880 4.428 3.943 4.763 . 0 0 "[ . 1 . 2]" 1
749 1 57 TYR H 1 57 TYR HA . . 2.950 2.706 2.220 2.945 . 0 0 "[ . 1 . 2]" 1
750 1 57 TYR H 1 57 TYR HB2 . . 3.780 2.911 2.332 3.327 . 0 0 "[ . 1 . 2]" 1
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