NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
386970 |
1m3a   |
cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1m3a
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 771
_Distance_constraint_stats_list.Viol_count 1959
_Distance_constraint_stats_list.Viol_total 5069.938
_Distance_constraint_stats_list.Viol_max 0.508
_Distance_constraint_stats_list.Viol_rms 0.0541
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0164
_Distance_constraint_stats_list.Viol_average_violations_only 0.1294
_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 CYS 3.514 0.193 4 0 "[ . 1 . 2]"
1 2 TYR 7.388 0.377 16 0 "[ . 1 . 2]"
1 3 VAL 6.717 0.235 13 0 "[ . 1 . 2]"
1 4 ARG 24.489 0.464 20 0 "[ . 1 . 2]"
1 5 ALA 5.930 0.296 8 0 "[ . 1 . 2]"
1 6 LEU 4.095 0.198 16 0 "[ . 1 . 2]"
1 7 PHE 16.978 0.351 20 0 "[ . 1 . 2]"
1 8 ASP 13.208 0.351 20 0 "[ . 1 . 2]"
1 9 PHE 13.843 0.352 12 0 "[ . 1 . 2]"
1 10 ASN 0.311 0.150 17 0 "[ . 1 . 2]"
1 11 GLY 0.700 0.144 17 0 "[ . 1 . 2]"
1 12 ASN 1.298 0.144 17 0 "[ . 1 . 2]"
1 13 ASP 4.426 0.382 17 0 "[ . 1 . 2]"
1 14 GLU 1.419 0.232 9 0 "[ . 1 . 2]"
1 15 GLU 1.789 0.140 6 0 "[ . 1 . 2]"
1 16 ASP 6.068 0.382 17 0 "[ . 1 . 2]"
1 17 LEU 3.047 0.241 20 0 "[ . 1 . 2]"
1 18 PRO 1.749 0.180 6 0 "[ . 1 . 2]"
1 19 PHE 15.448 0.352 12 0 "[ . 1 . 2]"
1 20 LYS 12.126 0.278 18 0 "[ . 1 . 2]"
1 21 LYS 11.819 0.399 6 0 "[ . 1 . 2]"
1 22 GLY 8.998 0.399 6 0 "[ . 1 . 2]"
1 23 ASP 6.284 0.197 2 0 "[ . 1 . 2]"
1 24 ILE 9.699 0.464 20 0 "[ . 1 . 2]"
1 25 LEU 16.838 0.508 17 2 "[ . -1 . + 2]"
1 26 ARG 10.282 0.508 17 1 "[ . 1 . + 2]"
1 27 ILE 17.000 0.427 13 0 "[ . 1 . 2]"
1 28 ARG 3.444 0.135 17 0 "[ . 1 . 2]"
1 29 ASP 4.686 0.188 8 0 "[ . 1 . 2]"
1 30 LYS 0.573 0.119 20 0 "[ . 1 . 2]"
1 31 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 GLU 2.783 0.148 16 0 "[ . 1 . 2]"
1 33 GLU 1.095 0.134 8 0 "[ . 1 . 2]"
1 34 GLN 5.231 0.191 13 0 "[ . 1 . 2]"
1 35 TRP 4.285 0.155 6 0 "[ . 1 . 2]"
1 36 TRP 11.877 0.248 15 0 "[ . 1 . 2]"
1 37 ASN 7.251 0.230 17 0 "[ . 1 . 2]"
1 38 ALA 6.492 0.427 13 0 "[ . 1 . 2]"
1 39 GLU 28.083 0.405 12 0 "[ . 1 . 2]"
1 40 ASP 30.650 0.501 9 1 "[ . +1 . 2]"
1 41 SER 9.335 0.282 12 0 "[ . 1 . 2]"
1 42 GLU 17.673 0.419 4 0 "[ . 1 . 2]"
1 43 GLY 33.702 0.419 4 0 "[ . 1 . 2]"
1 44 LYS 12.541 0.252 4 0 "[ . 1 . 2]"
1 45 ARG 20.194 0.433 17 0 "[ . 1 . 2]"
1 46 GLY 7.890 0.433 17 0 "[ . 1 . 2]"
1 47 MET 10.988 0.241 20 0 "[ . 1 . 2]"
1 48 ILE 3.047 0.142 15 0 "[ . 1 . 2]"
1 49 PRO 0.822 0.107 4 0 "[ . 1 . 2]"
1 50 VAL 7.648 0.292 15 0 "[ . 1 . 2]"
1 51 PRO 0.171 0.088 2 0 "[ . 1 . 2]"
1 52 TYR 11.151 0.293 19 0 "[ . 1 . 2]"
1 53 VAL 9.379 0.296 8 0 "[ . 1 . 2]"
1 54 GLU 7.057 0.333 5 0 "[ . 1 . 2]"
1 55 LYS 2.347 0.172 12 0 "[ . 1 . 2]"
1 56 TYR 2.540 0.228 10 0 "[ . 1 . 2]"
1 57 GLY 3.514 0.193 4 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 CYS HB2 1 2 TYR H . . 7.000 4.220 3.351 4.608 . 0 0 "[ . 1 . 2]" 1
2 1 1 CYS N 1 57 GLY C . . 1.330 1.506 1.494 1.523 0.193 4 0 "[ . 1 . 2]" 1
3 1 2 TYR H 1 2 TYR HA . . 3.140 2.903 2.879 2.939 . 0 0 "[ . 1 . 2]" 1
4 1 2 TYR H 1 2 TYR HB2 . . 3.640 2.843 2.339 3.674 0.034 6 0 "[ . 1 . 2]" 1
5 1 2 TYR H 1 2 TYR HB3 . . 4.330 3.672 3.400 3.858 . 0 0 "[ . 1 . 2]" 1
6 1 2 TYR H 1 3 VAL H . . 4.360 4.406 4.386 4.471 0.111 3 0 "[ . 1 . 2]" 1
7 1 2 TYR H 1 26 ARG HA . . 4.700 4.572 4.326 4.714 0.014 8 0 "[ . 1 . 2]" 1
8 1 2 TYR H 1 27 ILE H . . 3.910 4.132 4.039 4.287 0.377 16 0 "[ . 1 . 2]" 1
9 1 2 TYR H 1 56 TYR H . . 4.190 3.760 3.456 4.137 . 0 0 "[ . 1 . 2]" 1
10 1 2 TYR HA 1 3 VAL H . . 2.580 2.523 2.388 2.644 0.064 16 0 "[ . 1 . 2]" 1
11 1 2 TYR HA 1 3 VAL MG1 . . 8.030 3.393 2.756 3.776 . 0 0 "[ . 1 . 2]" 1
12 1 2 TYR HA 1 3 VAL MG2 . . 8.030 3.733 3.136 5.025 . 0 0 "[ . 1 . 2]" 1
13 1 2 TYR HA 1 24 ILE MG . . 7.840 3.939 3.745 4.206 . 0 0 "[ . 1 . 2]" 1
14 1 2 TYR HA 1 25 LEU H . . 4.100 4.183 4.008 4.278 0.178 15 0 "[ . 1 . 2]" 1
15 1 2 TYR HA 1 26 ARG HA . . 4.060 1.996 1.879 2.140 . 0 0 "[ . 1 . 2]" 1
16 1 2 TYR HA 1 27 ILE H . . 3.410 2.201 1.854 2.643 . 0 0 "[ . 1 . 2]" 1
17 1 2 TYR HB2 1 3 VAL H . . 4.290 3.446 2.251 4.096 . 0 0 "[ . 1 . 2]" 1
18 1 2 TYR HB2 1 24 ILE MD . . 8.030 5.171 3.076 6.750 . 0 0 "[ . 1 . 2]" 1
19 1 2 TYR HB2 1 24 ILE MG . . 5.500 3.334 1.995 4.202 . 0 0 "[ . 1 . 2]" 1
20 1 2 TYR HB2 1 25 LEU H . . 7.000 4.855 2.869 5.764 . 0 0 "[ . 1 . 2]" 1
21 1 2 TYR HB2 1 56 TYR H . . 7.000 4.476 3.894 5.215 . 0 0 "[ . 1 . 2]" 1
22 1 2 TYR HB3 1 3 VAL H . . 3.730 2.687 2.208 3.483 . 0 0 "[ . 1 . 2]" 1
23 1 2 TYR HB3 1 24 ILE MG . . 5.500 2.497 2.001 3.038 . 0 0 "[ . 1 . 2]" 1
24 1 2 TYR HB3 1 56 TYR HB3 . . 7.000 3.629 2.214 5.596 . 0 0 "[ . 1 . 2]" 1
25 1 3 VAL H 1 4 ARG HA . . 4.690 4.525 4.480 4.592 . 0 0 "[ . 1 . 2]" 1
26 1 3 VAL H 1 24 ILE HA . . 3.830 3.947 3.868 4.065 0.235 13 0 "[ . 1 . 2]" 1
27 1 3 VAL H 1 24 ILE MG . . 5.130 2.760 2.487 3.092 . 0 0 "[ . 1 . 2]" 1
28 1 3 VAL H 1 25 LEU HA . . 4.260 4.355 4.273 4.455 0.195 8 0 "[ . 1 . 2]" 1
29 1 3 VAL H 1 26 ARG HA . . 3.640 3.708 3.656 3.793 0.153 19 0 "[ . 1 . 2]" 1
30 1 3 VAL H 1 27 ILE MD . . 8.030 5.904 4.773 6.798 . 0 0 "[ . 1 . 2]" 1
31 1 3 VAL H 1 56 TYR H . . 5.300 4.556 4.176 4.777 . 0 0 "[ . 1 . 2]" 1
32 1 3 VAL H 1 56 TYR HB2 . . 7.000 4.731 3.810 6.619 . 0 0 "[ . 1 . 2]" 1
33 1 3 VAL H 1 56 TYR HB3 . . 7.000 4.318 3.580 5.337 . 0 0 "[ . 1 . 2]" 1
34 1 3 VAL HA 1 4 ARG H . . 2.770 2.341 2.221 2.506 . 0 0 "[ . 1 . 2]" 1
35 1 3 VAL HA 1 24 ILE MG . . 8.030 4.556 4.272 5.149 . 0 0 "[ . 1 . 2]" 1
36 1 3 VAL HA 1 25 LEU H . . 4.560 4.408 4.362 4.471 . 0 0 "[ . 1 . 2]" 1
37 1 3 VAL HA 1 53 VAL HB . . 6.630 4.521 3.982 5.164 . 0 0 "[ . 1 . 2]" 1
38 1 3 VAL HA 1 54 GLU H . . 4.560 4.152 4.004 4.389 . 0 0 "[ . 1 . 2]" 1
39 1 3 VAL HA 1 55 LYS H . . 5.110 4.938 4.815 5.030 . 0 0 "[ . 1 . 2]" 1
40 1 3 VAL HA 1 55 LYS HA . . 4.010 3.050 2.746 3.223 . 0 0 "[ . 1 . 2]" 1
41 1 3 VAL HA 1 56 TYR H . . 3.000 2.401 1.977 2.699 . 0 0 "[ . 1 . 2]" 1
42 1 3 VAL HA 1 56 TYR HB2 . . 5.760 3.021 2.318 4.435 . 0 0 "[ . 1 . 2]" 1
43 1 3 VAL HA 1 56 TYR HB3 . . 6.220 3.416 2.869 3.990 . 0 0 "[ . 1 . 2]" 1
44 1 3 VAL MG1 1 4 ARG H . . 7.290 3.854 3.604 4.142 . 0 0 "[ . 1 . 2]" 1
45 1 3 VAL MG1 1 27 ILE H . . 8.030 3.321 2.633 3.997 . 0 0 "[ . 1 . 2]" 1
46 1 3 VAL MG1 1 36 TRP HE3 . . 6.740 3.439 2.902 3.887 . 0 0 "[ . 1 . 2]" 1
47 1 3 VAL MG1 1 36 TRP HH2 . . 8.030 5.676 5.265 6.595 . 0 0 "[ . 1 . 2]" 1
48 1 3 VAL MG1 1 36 TRP HZ3 . . 5.500 3.804 3.414 4.553 . 0 0 "[ . 1 . 2]" 1
49 1 3 VAL MG1 1 50 VAL MG1 . . 9.060 4.496 4.109 5.647 . 0 0 "[ . 1 . 2]" 1
50 1 3 VAL MG1 1 53 VAL MG2 . . 9.060 2.624 2.168 3.185 . 0 0 "[ . 1 . 2]" 1
51 1 3 VAL MG1 1 55 LYS H . . 8.030 4.550 3.543 5.874 . 0 0 "[ . 1 . 2]" 1
52 1 3 VAL MG1 1 55 LYS HA . . 5.960 2.412 1.785 3.740 . 0 0 "[ . 1 . 2]" 1
53 1 3 VAL MG1 1 56 TYR H . . 6.510 2.962 2.419 3.740 . 0 0 "[ . 1 . 2]" 1
54 1 3 VAL MG2 1 4 ARG H . . 6.280 3.598 2.016 4.137 . 0 0 "[ . 1 . 2]" 1
55 1 3 VAL MG2 1 4 ARG HA . . 8.030 4.000 3.113 4.345 . 0 0 "[ . 1 . 2]" 1
56 1 3 VAL MG2 1 5 ALA H . . 5.770 4.186 3.461 4.547 . 0 0 "[ . 1 . 2]" 1
57 1 3 VAL MG2 1 5 ALA HA . . 7.890 4.658 3.675 5.303 . 0 0 "[ . 1 . 2]" 1
58 1 3 VAL MG2 1 25 LEU H . . 5.500 2.637 2.145 3.249 . 0 0 "[ . 1 . 2]" 1
59 1 3 VAL MG2 1 27 ILE H . . 8.030 3.685 2.883 5.346 . 0 0 "[ . 1 . 2]" 1
60 1 3 VAL MG2 1 36 TRP HE3 . . 7.840 4.731 4.211 5.062 . 0 0 "[ . 1 . 2]" 1
61 1 3 VAL MG2 1 36 TRP HZ3 . . 7.430 5.675 4.949 6.051 . 0 0 "[ . 1 . 2]" 1
62 1 3 VAL MG2 1 54 GLU H . . 6.600 4.227 2.328 5.083 . 0 0 "[ . 1 . 2]" 1
63 1 4 ARG H 1 4 ARG HG2 . . 4.930 4.589 4.285 4.774 . 0 0 "[ . 1 . 2]" 1
64 1 4 ARG H 1 4 ARG HG3 . . 4.190 4.396 4.314 4.531 0.341 9 0 "[ . 1 . 2]" 1
65 1 4 ARG H 1 24 ILE HA . . 4.360 4.660 4.529 4.824 0.464 20 0 "[ . 1 . 2]" 1
66 1 4 ARG H 1 24 ILE MD . . 8.030 5.170 3.431 6.620 . 0 0 "[ . 1 . 2]" 1
67 1 4 ARG H 1 53 VAL HA . . 4.060 4.205 4.101 4.298 0.238 16 0 "[ . 1 . 2]" 1
68 1 4 ARG H 1 53 VAL HB . . 5.480 3.435 3.321 3.675 . 0 0 "[ . 1 . 2]" 1
69 1 4 ARG H 1 53 VAL MG2 . . 8.030 3.941 3.587 4.254 . 0 0 "[ . 1 . 2]" 1
70 1 4 ARG H 1 54 GLU H . . 3.000 2.187 1.955 2.273 . 0 0 "[ . 1 . 2]" 1
71 1 4 ARG H 1 54 GLU HA . . 3.960 4.214 4.117 4.293 0.333 5 0 "[ . 1 . 2]" 1
72 1 4 ARG H 1 54 GLU QG . . 7.880 4.323 1.805 4.936 . 0 0 "[ . 1 . 2]" 1
73 1 4 ARG H 1 55 LYS H . . 4.920 4.799 4.661 4.915 . 0 0 "[ . 1 . 2]" 1
74 1 4 ARG H 1 55 LYS HA . . 4.190 4.285 4.127 4.362 0.172 12 0 "[ . 1 . 2]" 1
75 1 4 ARG H 1 56 TYR H . . 4.010 4.124 4.050 4.238 0.228 10 0 "[ . 1 . 2]" 1
76 1 4 ARG H 1 56 TYR HB3 . . 7.000 4.843 3.961 5.497 . 0 0 "[ . 1 . 2]" 1
77 1 4 ARG HA 1 5 ALA H . . 2.680 2.228 2.226 2.237 . 0 0 "[ . 1 . 2]" 1
78 1 4 ARG HA 1 5 ALA MB . . 7.340 3.967 3.900 4.018 . 0 0 "[ . 1 . 2]" 1
79 1 4 ARG HA 1 24 ILE HA . . 4.060 2.267 2.051 2.505 . 0 0 "[ . 1 . 2]" 1
80 1 4 ARG HA 1 24 ILE MD . . 6.330 3.397 1.901 4.602 . 0 0 "[ . 1 . 2]" 1
81 1 4 ARG HA 1 24 ILE HG13 . . 5.620 3.597 2.596 4.824 . 0 0 "[ . 1 . 2]" 1
82 1 4 ARG HA 1 24 ILE MG . . 8.030 3.874 3.531 4.398 . 0 0 "[ . 1 . 2]" 1
83 1 4 ARG HA 1 25 LEU H . . 3.960 3.753 3.622 3.903 . 0 0 "[ . 1 . 2]" 1
84 1 4 ARG HA 1 53 VAL HB . . 7.000 4.230 3.953 4.393 . 0 0 "[ . 1 . 2]" 1
85 1 4 ARG HD2 1 24 ILE MD . . 8.030 3.714 2.885 5.523 . 0 0 "[ . 1 . 2]" 1
86 1 4 ARG HD3 1 6 LEU MD2 . . 8.030 5.362 3.859 6.758 . 0 0 "[ . 1 . 2]" 1
87 1 4 ARG HD3 1 24 ILE MD . . 5.910 3.833 1.951 4.824 . 0 0 "[ . 1 . 2]" 1
88 1 4 ARG HE 1 24 ILE MD . . 8.030 3.976 1.905 6.238 . 0 0 "[ . 1 . 2]" 1
89 1 4 ARG HE 1 24 ILE HG13 . . 7.000 4.928 2.944 6.835 . 0 0 "[ . 1 . 2]" 1
90 1 4 ARG HG2 1 5 ALA H . . 5.760 3.561 3.163 4.306 . 0 0 "[ . 1 . 2]" 1
91 1 4 ARG HG2 1 22 GLY H . . 4.380 4.487 4.432 4.524 0.144 11 0 "[ . 1 . 2]" 1
92 1 4 ARG HG2 1 22 GLY HA2 . . 7.000 3.249 2.953 3.705 . 0 0 "[ . 1 . 2]" 1
93 1 4 ARG HG2 1 22 GLY HA3 . . 7.000 4.866 4.552 5.453 . 0 0 "[ . 1 . 2]" 1
94 1 4 ARG HG2 1 23 ASP H . . 7.000 4.008 3.582 5.032 . 0 0 "[ . 1 . 2]" 1
95 1 4 ARG HG3 1 5 ALA H . . 5.670 3.659 2.841 4.089 . 0 0 "[ . 1 . 2]" 1
96 1 4 ARG HG3 1 5 ALA HA . . 6.170 5.759 4.436 6.136 . 0 0 "[ . 1 . 2]" 1
97 1 4 ARG HG3 1 6 LEU HA . . 7.000 5.941 4.301 6.553 . 0 0 "[ . 1 . 2]" 1
98 1 4 ARG HG3 1 22 GLY H . . 7.000 5.563 3.865 6.015 . 0 0 "[ . 1 . 2]" 1
99 1 4 ARG HG3 1 54 GLU H . . 6.950 5.351 4.665 5.712 . 0 0 "[ . 1 . 2]" 1
100 1 5 ALA H 1 6 LEU H . . 4.750 4.376 4.318 4.458 . 0 0 "[ . 1 . 2]" 1
101 1 5 ALA H 1 23 ASP H . . 3.870 3.045 2.824 3.362 . 0 0 "[ . 1 . 2]" 1
102 1 5 ALA H 1 23 ASP HB2 . . 7.000 4.891 4.681 5.141 . 0 0 "[ . 1 . 2]" 1
103 1 5 ALA H 1 23 ASP HB3 . . 7.000 3.470 3.312 3.760 . 0 0 "[ . 1 . 2]" 1
104 1 5 ALA H 1 24 ILE H . . 4.650 4.560 4.454 4.672 0.022 9 0 "[ . 1 . 2]" 1
105 1 5 ALA H 1 24 ILE HA . . 3.920 3.136 2.953 3.274 . 0 0 "[ . 1 . 2]" 1
106 1 5 ALA H 1 24 ILE MD . . 6.790 4.665 3.288 5.806 . 0 0 "[ . 1 . 2]" 1
107 1 5 ALA H 1 25 LEU MD1 . . 7.340 3.494 3.211 3.833 . 0 0 "[ . 1 . 2]" 1
108 1 5 ALA H 1 25 LEU HG . . 3.730 3.762 3.535 3.939 0.209 1 0 "[ . 1 . 2]" 1
109 1 5 ALA H 1 53 VAL HA . . 3.960 4.160 4.088 4.256 0.296 8 0 "[ . 1 . 2]" 1
110 1 5 ALA H 1 53 VAL HB . . 5.070 3.738 3.331 4.021 . 0 0 "[ . 1 . 2]" 1
111 1 5 ALA H 1 53 VAL MG1 . . 6.830 3.601 3.391 3.908 . 0 0 "[ . 1 . 2]" 1
112 1 5 ALA HA 1 6 LEU H . . 2.450 2.200 2.187 2.214 . 0 0 "[ . 1 . 2]" 1
113 1 5 ALA HA 1 7 PHE H . . 3.410 3.419 3.351 3.529 0.119 13 0 "[ . 1 . 2]" 1
114 1 5 ALA HA 1 22 GLY H . . 5.300 4.770 4.676 5.035 . 0 0 "[ . 1 . 2]" 1
115 1 5 ALA HA 1 25 LEU MD1 . . 8.030 3.965 3.658 4.482 . 0 0 "[ . 1 . 2]" 1
116 1 5 ALA HA 1 53 VAL HA . . 3.550 1.894 1.795 1.985 . 0 0 "[ . 1 . 2]" 1
117 1 5 ALA HA 1 53 VAL HB . . 4.290 2.782 2.444 3.046 . 0 0 "[ . 1 . 2]" 1
118 1 5 ALA HA 1 53 VAL MG1 . . 7.800 2.073 1.881 2.332 . 0 0 "[ . 1 . 2]" 1
119 1 5 ALA HA 1 54 GLU H . . 3.830 3.660 3.544 3.728 . 0 0 "[ . 1 . 2]" 1
120 1 5 ALA MB 1 6 LEU H . . 5.870 3.474 3.387 3.535 . 0 0 "[ . 1 . 2]" 1
121 1 5 ALA MB 1 6 LEU HA . . 8.030 4.343 4.280 4.373 . 0 0 "[ . 1 . 2]" 1
122 1 5 ALA MB 1 7 PHE H . . 6.420 2.734 2.540 2.878 . 0 0 "[ . 1 . 2]" 1
123 1 5 ALA MB 1 19 PHE HB2 . . 5.770 2.956 2.479 3.242 . 0 0 "[ . 1 . 2]" 1
124 1 5 ALA MB 1 19 PHE HB3 . . 8.030 3.726 3.273 4.012 . 0 0 "[ . 1 . 2]" 1
125 1 5 ALA MB 1 19 PHE HZ . . 6.740 3.854 3.271 4.360 . 0 0 "[ . 1 . 2]" 1
126 1 5 ALA MB 1 20 LYS H . . 7.710 4.011 3.682 4.252 . 0 0 "[ . 1 . 2]" 1
127 1 5 ALA MB 1 21 LYS H . . 7.570 5.124 4.865 5.381 . 0 0 "[ . 1 . 2]" 1
128 1 5 ALA MB 1 22 GLY H . . 4.760 3.527 3.326 3.865 . 0 0 "[ . 1 . 2]" 1
129 1 5 ALA MB 1 22 GLY HA2 . . 8.030 4.875 4.687 5.016 . 0 0 "[ . 1 . 2]" 1
130 1 5 ALA MB 1 23 ASP H . . 4.720 2.736 2.515 2.938 . 0 0 "[ . 1 . 2]" 1
131 1 5 ALA MB 1 23 ASP HA . . 8.030 4.631 4.391 4.826 . 0 0 "[ . 1 . 2]" 1
132 1 5 ALA MB 1 23 ASP HB3 . . 5.680 2.460 2.021 2.747 . 0 0 "[ . 1 . 2]" 1
133 1 5 ALA MB 1 25 LEU MD1 . . 8.460 2.121 1.822 2.477 . 0 0 "[ . 1 . 2]" 1
134 1 5 ALA MB 1 52 TYR HB2 . . 5.730 4.597 4.488 4.764 . 0 0 "[ . 1 . 2]" 1
135 1 5 ALA MB 1 53 VAL HA . . 7.520 3.563 3.440 3.671 . 0 0 "[ . 1 . 2]" 1
136 1 6 LEU H 1 6 LEU MD1 . . 5.680 2.429 1.826 3.186 . 0 0 "[ . 1 . 2]" 1
137 1 6 LEU H 1 7 PHE H . . 2.720 2.817 2.721 2.918 0.198 16 0 "[ . 1 . 2]" 1
138 1 6 LEU H 1 52 TYR HA . . 4.840 4.216 3.858 4.489 . 0 0 "[ . 1 . 2]" 1
139 1 6 LEU H 1 53 VAL H . . 4.840 4.625 4.442 4.826 . 0 0 "[ . 1 . 2]" 1
140 1 6 LEU H 1 53 VAL HA . . 3.040 2.518 2.299 2.718 . 0 0 "[ . 1 . 2]" 1
141 1 6 LEU H 1 53 VAL HB . . 7.000 4.537 4.182 4.821 . 0 0 "[ . 1 . 2]" 1
142 1 6 LEU H 1 53 VAL MG1 . . 7.710 3.607 3.281 3.850 . 0 0 "[ . 1 . 2]" 1
143 1 6 LEU H 1 54 GLU H . . 4.100 4.189 4.079 4.286 0.186 13 0 "[ . 1 . 2]" 1
144 1 6 LEU HA 1 6 LEU MD1 . . 4.670 3.237 2.151 3.952 . 0 0 "[ . 1 . 2]" 1
145 1 6 LEU HA 1 6 LEU MD2 . . 4.580 3.230 2.439 3.639 . 0 0 "[ . 1 . 2]" 1
146 1 6 LEU HA 1 7 PHE H . . 3.870 3.032 2.967 3.095 . 0 0 "[ . 1 . 2]" 1
147 1 6 LEU HA 1 22 GLY H . . 4.420 2.360 2.039 2.637 . 0 0 "[ . 1 . 2]" 1
148 1 6 LEU HA 1 53 VAL HA . . 5.300 5.228 5.029 5.446 0.146 10 0 "[ . 1 . 2]" 1
149 1 6 LEU MD1 1 53 VAL H . . 6.370 4.749 3.371 5.403 . 0 0 "[ . 1 . 2]" 1
150 1 6 LEU MD1 1 53 VAL HA . . 6.190 2.981 1.983 3.694 . 0 0 "[ . 1 . 2]" 1
151 1 6 LEU MD1 1 54 GLU H . . 6.600 3.080 2.567 3.552 . 0 0 "[ . 1 . 2]" 1
152 1 6 LEU MD2 1 53 VAL HA . . 7.660 4.259 1.904 5.739 . 0 0 "[ . 1 . 2]" 1
153 1 6 LEU MD2 1 54 GLU H . . 7.750 4.627 2.473 5.657 . 0 0 "[ . 1 . 2]" 1
154 1 7 PHE H 1 7 PHE HB2 . . 3.320 2.683 2.528 3.000 . 0 0 "[ . 1 . 2]" 1
155 1 7 PHE H 1 7 PHE HB3 . . 3.830 3.411 2.775 3.799 . 0 0 "[ . 1 . 2]" 1
156 1 7 PHE H 1 8 ASP H . . 4.100 4.398 4.327 4.439 0.339 12 0 "[ . 1 . 2]" 1
157 1 7 PHE H 1 22 GLY H . . 5.160 3.209 3.109 3.379 . 0 0 "[ . 1 . 2]" 1
158 1 7 PHE H 1 52 TYR HB2 . . 5.710 5.642 5.396 5.841 0.131 9 0 "[ . 1 . 2]" 1
159 1 7 PHE H 1 52 TYR HD2 . . 4.750 4.763 4.599 4.837 0.087 8 0 "[ . 1 . 2]" 1
160 1 7 PHE H 1 53 VAL MG1 . . 7.750 4.207 3.991 4.535 . 0 0 "[ . 1 . 2]" 1
161 1 7 PHE HA 1 8 ASP H . . 2.540 2.399 2.254 2.562 0.022 18 0 "[ . 1 . 2]" 1
162 1 7 PHE HA 1 21 LYS H . . 4.380 4.394 3.974 4.703 0.323 14 0 "[ . 1 . 2]" 1
163 1 7 PHE HB2 1 8 ASP H . . 3.920 4.090 3.975 4.271 0.351 20 0 "[ . 1 . 2]" 1
164 1 7 PHE HB2 1 52 TYR HB2 . . 6.490 4.062 3.647 4.652 . 0 0 "[ . 1 . 2]" 1
165 1 7 PHE HB2 1 52 TYR HD2 . . 3.270 2.375 2.086 2.758 . 0 0 "[ . 1 . 2]" 1
166 1 7 PHE HB2 1 52 TYR HE2 . . 7.000 4.476 4.254 4.724 . 0 0 "[ . 1 . 2]" 1
167 1 7 PHE HB3 1 8 ASP H . . 3.370 3.042 2.624 3.445 0.075 7 0 "[ . 1 . 2]" 1
168 1 7 PHE HB3 1 52 TYR HB2 . . 4.700 4.702 4.194 4.906 0.206 2 0 "[ . 1 . 2]" 1
169 1 7 PHE HB3 1 52 TYR HB3 . . 7.000 3.136 2.503 3.419 . 0 0 "[ . 1 . 2]" 1
170 1 7 PHE HB3 1 52 TYR HD2 . . 4.290 2.050 1.971 2.290 . 0 0 "[ . 1 . 2]" 1
171 1 8 ASP H 1 8 ASP HB2 . . 3.410 3.289 2.943 3.482 0.072 13 0 "[ . 1 . 2]" 1
172 1 8 ASP H 1 8 ASP HB3 . . 3.960 2.831 2.111 3.487 . 0 0 "[ . 1 . 2]" 1
173 1 8 ASP H 1 21 LYS H . . 3.730 3.671 3.331 3.884 0.154 10 0 "[ . 1 . 2]" 1
174 1 8 ASP H 1 21 LYS HB2 . . 7.000 2.817 2.138 3.371 . 0 0 "[ . 1 . 2]" 1
175 1 8 ASP H 1 52 TYR HD2 . . 7.000 4.743 4.512 5.026 . 0 0 "[ . 1 . 2]" 1
176 1 8 ASP HB2 1 9 PHE H . . 3.550 3.521 3.266 3.687 0.137 20 0 "[ . 1 . 2]" 1
177 1 8 ASP HB2 1 20 LYS HA . . 7.000 3.366 2.454 4.301 . 0 0 "[ . 1 . 2]" 1
178 1 8 ASP HB2 1 21 LYS H . . 7.000 3.056 1.887 4.172 . 0 0 "[ . 1 . 2]" 1
179 1 8 ASP HB3 1 9 PHE H . . 3.920 3.982 3.562 4.127 0.207 20 0 "[ . 1 . 2]" 1
180 1 8 ASP HB3 1 21 LYS H . . 7.000 2.671 1.898 3.740 . 0 0 "[ . 1 . 2]" 1
181 1 9 PHE H 1 9 PHE HB2 . . 3.690 3.082 2.686 3.382 . 0 0 "[ . 1 . 2]" 1
182 1 9 PHE H 1 9 PHE HB3 . . 3.870 3.018 2.602 3.313 . 0 0 "[ . 1 . 2]" 1
183 1 9 PHE H 1 18 PRO HA . . 4.660 4.731 4.525 4.840 0.180 6 0 "[ . 1 . 2]" 1
184 1 9 PHE H 1 20 LYS H . . 4.610 4.620 4.325 4.770 0.160 15 0 "[ . 1 . 2]" 1
185 1 9 PHE H 1 20 LYS HA . . 3.500 3.051 2.854 3.237 . 0 0 "[ . 1 . 2]" 1
186 1 9 PHE H 1 21 LYS H . . 4.210 4.320 4.175 4.436 0.226 9 0 "[ . 1 . 2]" 1
187 1 9 PHE H 1 52 TYR HD2 . . 6.820 6.480 5.720 6.867 0.047 9 0 "[ . 1 . 2]" 1
188 1 9 PHE HA 1 10 ASN H . . 4.240 2.252 2.196 2.367 . 0 0 "[ . 1 . 2]" 1
189 1 9 PHE HA 1 19 PHE H . . 4.240 4.406 4.176 4.592 0.352 12 0 "[ . 1 . 2]" 1
190 1 9 PHE HA 1 52 TYR HD2 . . 7.000 6.171 5.052 6.895 . 0 0 "[ . 1 . 2]" 1
191 1 9 PHE HB2 1 18 PRO HA . . 6.220 4.713 3.770 5.771 . 0 0 "[ . 1 . 2]" 1
192 1 9 PHE HB2 1 19 PHE HB2 . . 7.000 5.844 4.988 6.358 . 0 0 "[ . 1 . 2]" 1
193 1 9 PHE HB2 1 19 PHE HZ . . 6.720 2.698 2.159 3.398 . 0 0 "[ . 1 . 2]" 1
194 1 9 PHE HB2 1 52 TYR HB2 . . 6.720 5.976 5.511 6.391 . 0 0 "[ . 1 . 2]" 1
195 1 9 PHE HB2 1 52 TYR HD2 . . 5.760 4.219 3.870 4.626 . 0 0 "[ . 1 . 2]" 1
196 1 9 PHE HB3 1 10 ASN H . . 5.300 4.100 3.599 4.463 . 0 0 "[ . 1 . 2]" 1
197 1 9 PHE HB3 1 19 PHE H . . 7.000 2.859 2.343 3.862 . 0 0 "[ . 1 . 2]" 1
198 1 9 PHE HB3 1 19 PHE HZ . . 6.080 3.250 2.428 3.984 . 0 0 "[ . 1 . 2]" 1
199 1 9 PHE HB3 1 52 TYR HB2 . . 7.000 6.810 6.540 7.022 0.022 19 0 "[ . 1 . 2]" 1
200 1 9 PHE HB3 1 52 TYR HB3 . . 6.130 6.265 6.076 6.423 0.293 19 0 "[ . 1 . 2]" 1
201 1 10 ASN H 1 11 GLY H . . 4.840 3.311 1.854 4.397 . 0 0 "[ . 1 . 2]" 1
202 1 10 ASN HA 1 11 GLY H . . 4.520 2.764 2.251 3.653 . 0 0 "[ . 1 . 2]" 1
203 1 10 ASN HA 1 18 PRO HB2 . . 5.850 2.549 1.993 3.194 . 0 0 "[ . 1 . 2]" 1
204 1 10 ASN HA 1 18 PRO HB3 . . 4.150 2.084 1.890 3.261 . 0 0 "[ . 1 . 2]" 1
205 1 10 ASN HA 1 18 PRO HG2 . . 7.000 4.430 3.556 5.120 . 0 0 "[ . 1 . 2]" 1
206 1 10 ASN HA 1 18 PRO HG3 . . 6.860 4.039 3.222 4.687 . 0 0 "[ . 1 . 2]" 1
207 1 10 ASN HA 1 19 PHE H . . 3.600 3.298 2.503 3.750 0.150 17 0 "[ . 1 . 2]" 1
208 1 10 ASN HB2 1 11 GLY H . . 5.440 3.807 2.685 4.722 . 0 0 "[ . 1 . 2]" 1
209 1 10 ASN HB3 1 11 GLY H . . 5.210 3.978 2.739 4.633 . 0 0 "[ . 1 . 2]" 1
210 1 11 GLY H 1 12 ASN H . . 3.870 3.744 2.675 4.014 0.144 17 0 "[ . 1 . 2]" 1
211 1 11 GLY QA 1 12 ASN H . . 5.020 2.209 2.168 2.426 . 0 0 "[ . 1 . 2]" 1
212 1 12 ASN H 1 13 ASP H . . 3.040 2.399 1.762 3.062 0.022 13 0 "[ . 1 . 2]" 1
213 1 12 ASN H 1 13 ASP HA . . 4.470 4.182 3.651 4.547 0.077 15 0 "[ . 1 . 2]" 1
214 1 12 ASN H 1 13 ASP HB3 . . 5.440 5.133 4.176 5.563 0.123 12 0 "[ . 1 . 2]" 1
215 1 12 ASN HA 1 13 ASP H . . 4.290 3.119 2.331 3.655 . 0 0 "[ . 1 . 2]" 1
216 1 13 ASP H 1 13 ASP HB2 . . 4.010 2.917 2.169 3.887 . 0 0 "[ . 1 . 2]" 1
217 1 13 ASP H 1 16 ASP H . . 3.270 3.410 3.101 3.652 0.382 17 0 "[ . 1 . 2]" 1
218 1 13 ASP HA 1 14 GLU HA . . 5.530 4.563 4.305 5.137 . 0 0 "[ . 1 . 2]" 1
219 1 13 ASP HB2 1 14 GLU H . . 4.190 3.124 2.008 4.234 0.044 16 0 "[ . 1 . 2]" 1
220 1 13 ASP HB2 1 15 GLU H . . 4.700 3.843 2.101 4.783 0.083 9 0 "[ . 1 . 2]" 1
221 1 13 ASP HB2 1 16 ASP H . . 4.840 4.007 2.945 4.984 0.144 9 0 "[ . 1 . 2]" 1
222 1 13 ASP HB3 1 14 GLU H . . 4.240 2.630 1.914 3.792 . 0 0 "[ . 1 . 2]" 1
223 1 13 ASP HB3 1 15 GLU H . . 4.330 3.283 1.954 4.449 0.119 9 0 "[ . 1 . 2]" 1
224 1 13 ASP HB3 1 16 ASP H . . 4.700 3.733 2.471 4.772 0.072 10 0 "[ . 1 . 2]" 1
225 1 14 GLU H 1 15 GLU H . . 3.230 2.695 1.878 3.297 0.067 11 0 "[ . 1 . 2]" 1
226 1 14 GLU H 1 15 GLU HG3 . . 7.000 5.492 3.988 6.474 . 0 0 "[ . 1 . 2]" 1
227 1 14 GLU HA 1 15 GLU H . . 3.550 3.164 2.769 3.609 0.059 13 0 "[ . 1 . 2]" 1
228 1 14 GLU HA 1 16 ASP H . . 4.240 4.160 3.618 4.472 0.232 9 0 "[ . 1 . 2]" 1
229 1 15 GLU H 1 15 GLU HA . . 3.000 2.745 2.171 2.919 . 0 0 "[ . 1 . 2]" 1
230 1 15 GLU H 1 15 GLU HG2 . . 4.750 3.700 1.985 4.760 0.010 13 0 "[ . 1 . 2]" 1
231 1 15 GLU H 1 15 GLU HG3 . . 4.420 3.707 2.835 4.445 0.025 9 0 "[ . 1 . 2]" 1
232 1 15 GLU H 1 16 ASP H . . 2.770 2.095 1.628 2.761 . 0 0 "[ . 1 . 2]" 1
233 1 15 GLU HA 1 15 GLU HG2 . . 3.640 2.822 2.064 3.656 0.016 11 0 "[ . 1 . 2]" 1
234 1 15 GLU HA 1 15 GLU HG3 . . 3.830 3.076 2.070 3.899 0.069 14 0 "[ . 1 . 2]" 1
235 1 15 GLU HA 1 16 ASP H . . 3.410 3.228 2.720 3.550 0.140 6 0 "[ . 1 . 2]" 1
236 1 15 GLU HG2 1 16 ASP H . . 5.800 4.464 2.190 5.892 0.092 13 0 "[ . 1 . 2]" 1
237 1 15 GLU HG3 1 16 ASP H . . 6.680 4.601 2.971 5.513 . 0 0 "[ . 1 . 2]" 1
238 1 16 ASP H 1 17 LEU H . . 4.610 4.511 4.101 4.669 0.059 4 0 "[ . 1 . 2]" 1
239 1 16 ASP HA 1 17 LEU H . . 2.770 2.400 2.257 2.656 . 0 0 "[ . 1 . 2]" 1
240 1 16 ASP HA 1 47 MET H . . 2.580 2.426 1.939 2.770 0.190 12 0 "[ . 1 . 2]" 1
241 1 16 ASP HA 1 47 MET HB2 . . 6.490 2.472 1.937 3.403 . 0 0 "[ . 1 . 2]" 1
242 1 16 ASP HA 1 47 MET HB3 . . 6.220 2.922 1.970 3.851 . 0 0 "[ . 1 . 2]" 1
243 1 16 ASP QB 1 17 LEU H . . 4.980 2.964 2.136 3.701 . 0 0 "[ . 1 . 2]" 1
244 1 17 LEU H 1 17 LEU MD1 . . 5.540 4.071 3.739 4.288 . 0 0 "[ . 1 . 2]" 1
245 1 17 LEU H 1 46 GLY QA . . 5.810 3.619 3.044 4.180 . 0 0 "[ . 1 . 2]" 1
246 1 17 LEU H 1 47 MET H . . 3.180 2.724 2.157 3.255 0.075 8 0 "[ . 1 . 2]" 1
247 1 17 LEU H 1 47 MET ME . . 8.030 5.842 5.305 6.544 . 0 0 "[ . 1 . 2]" 1
248 1 17 LEU HA 1 17 LEU MD2 . . 4.720 3.854 3.812 3.891 . 0 0 "[ . 1 . 2]" 1
249 1 17 LEU HA 1 18 PRO HD2 . . 3.830 2.249 2.181 2.410 . 0 0 "[ . 1 . 2]" 1
250 1 17 LEU HA 1 18 PRO HD3 . . 5.070 1.993 1.910 2.120 . 0 0 "[ . 1 . 2]" 1
251 1 17 LEU HA 1 18 PRO HG2 . . 7.000 4.355 4.340 4.430 . 0 0 "[ . 1 . 2]" 1
252 1 17 LEU HA 1 47 MET H . . 3.990 4.125 4.042 4.231 0.241 20 0 "[ . 1 . 2]" 1
253 1 17 LEU MD1 1 18 PRO HD2 . . 6.690 2.399 1.892 2.971 . 0 0 "[ . 1 . 2]" 1
254 1 17 LEU MD1 1 18 PRO HD3 . . 6.560 3.130 2.770 3.653 . 0 0 "[ . 1 . 2]" 1
255 1 17 LEU MD1 1 40 ASP H . . 7.150 3.347 3.076 3.998 . 0 0 "[ . 1 . 2]" 1
256 1 17 LEU MD1 1 44 LYS H . . 8.030 4.357 4.034 4.752 . 0 0 "[ . 1 . 2]" 1
257 1 17 LEU MD1 1 46 GLY H . . 7.200 2.655 2.058 4.238 . 0 0 "[ . 1 . 2]" 1
258 1 17 LEU MD2 1 25 LEU MD1 . . 6.020 3.064 2.114 3.589 . 0 0 "[ . 1 . 2]" 1
259 1 17 LEU MD2 1 38 ALA H . . 7.520 3.166 2.750 3.679 . 0 0 "[ . 1 . 2]" 1
260 1 17 LEU MD2 1 39 GLU H . . 4.620 3.886 3.759 4.007 . 0 0 "[ . 1 . 2]" 1
261 1 17 LEU MD2 1 39 GLU HA . . 6.370 2.470 2.112 2.838 . 0 0 "[ . 1 . 2]" 1
262 1 17 LEU MD2 1 40 ASP H . . 4.620 2.800 2.276 3.316 . 0 0 "[ . 1 . 2]" 1
263 1 17 LEU MD2 1 40 ASP HB2 . . 5.270 3.122 2.359 4.255 . 0 0 "[ . 1 . 2]" 1
264 1 17 LEU MD2 1 40 ASP HB3 . . 5.590 3.729 1.990 4.536 . 0 0 "[ . 1 . 2]" 1
265 1 17 LEU MD2 1 45 ARG HA . . 5.540 2.952 2.397 3.591 . 0 0 "[ . 1 . 2]" 1
266 1 17 LEU MD2 1 46 GLY H . . 5.910 2.363 1.864 2.823 . 0 0 "[ . 1 . 2]" 1
267 1 17 LEU HG 1 18 PRO HA . . 6.310 4.857 4.562 5.175 . 0 0 "[ . 1 . 2]" 1
268 1 17 LEU HG 1 18 PRO HD2 . . 7.000 2.949 2.123 4.192 . 0 0 "[ . 1 . 2]" 1
269 1 17 LEU HG 1 18 PRO HD3 . . 7.000 4.117 3.468 4.953 . 0 0 "[ . 1 . 2]" 1
270 1 17 LEU HG 1 19 PHE HB2 . . 7.000 6.155 5.523 6.854 . 0 0 "[ . 1 . 2]" 1
271 1 17 LEU HG 1 25 LEU MD1 . . 8.030 4.352 2.967 5.028 . 0 0 "[ . 1 . 2]" 1
272 1 18 PRO HA 1 19 PHE H . . 2.540 2.366 2.176 2.594 0.054 19 0 "[ . 1 . 2]" 1
273 1 18 PRO HB2 1 19 PHE H . . 4.100 2.922 2.343 3.542 . 0 0 "[ . 1 . 2]" 1
274 1 18 PRO HB3 1 19 PHE H . . 4.060 3.521 3.232 3.891 . 0 0 "[ . 1 . 2]" 1
275 1 19 PHE H 1 19 PHE HA . . 2.910 2.820 2.732 2.891 . 0 0 "[ . 1 . 2]" 1
276 1 19 PHE H 1 20 LYS H . . 4.150 4.364 4.341 4.389 0.239 12 0 "[ . 1 . 2]" 1
277 1 19 PHE HA 1 20 LYS H . . 2.580 2.675 2.571 2.770 0.190 11 0 "[ . 1 . 2]" 1
278 1 19 PHE HA 1 20 LYS HB3 . . 4.010 4.049 3.944 4.128 0.118 10 0 "[ . 1 . 2]" 1
279 1 19 PHE HA 1 23 ASP HB3 . . 5.710 4.552 4.072 4.863 . 0 0 "[ . 1 . 2]" 1
280 1 19 PHE HA 1 25 LEU MD2 . . 6.140 4.009 3.768 4.229 . 0 0 "[ . 1 . 2]" 1
281 1 19 PHE HB2 1 20 LYS H . . 3.270 2.115 1.922 2.328 . 0 0 "[ . 1 . 2]" 1
282 1 19 PHE HB2 1 23 ASP HB2 . . 6.590 3.127 2.763 3.709 . 0 0 "[ . 1 . 2]" 1
283 1 19 PHE HB2 1 23 ASP HB3 . . 4.150 2.471 2.215 2.897 . 0 0 "[ . 1 . 2]" 1
284 1 19 PHE HB2 1 25 LEU MD1 . . 6.560 3.698 3.355 4.156 . 0 0 "[ . 1 . 2]" 1
285 1 19 PHE HB2 1 25 LEU MD2 . . 5.820 3.202 2.923 3.712 . 0 0 "[ . 1 . 2]" 1
286 1 19 PHE HB2 1 40 ASP HB2 . . 6.950 7.089 6.689 7.282 0.332 14 0 "[ . 1 . 2]" 1
287 1 19 PHE HB3 1 20 LYS H . . 3.500 3.520 3.316 3.719 0.219 12 0 "[ . 1 . 2]" 1
288 1 19 PHE HB3 1 23 ASP HB2 . . 7.000 4.570 4.070 5.181 . 0 0 "[ . 1 . 2]" 1
289 1 19 PHE HB3 1 23 ASP HB3 . . 4.190 3.745 3.259 4.263 0.073 9 0 "[ . 1 . 2]" 1
290 1 19 PHE HB3 1 25 LEU MD1 . . 6.560 3.178 2.678 3.652 . 0 0 "[ . 1 . 2]" 1
291 1 19 PHE HB3 1 25 LEU MD2 . . 5.910 2.315 2.141 2.636 . 0 0 "[ . 1 . 2]" 1
292 1 19 PHE QD 1 20 LYS H . . 8.020 3.174 2.778 3.737 . 0 0 "[ . 1 . 2]" 1
293 1 19 PHE HZ 1 25 LEU MD1 . . 8.030 4.964 4.300 5.624 . 0 0 "[ . 1 . 2]" 1
294 1 19 PHE HZ 1 48 ILE HA . . 7.000 4.870 4.206 5.667 . 0 0 "[ . 1 . 2]" 1
295 1 19 PHE HZ 1 49 PRO HD2 . . 5.670 2.991 2.144 3.877 . 0 0 "[ . 1 . 2]" 1
296 1 19 PHE HZ 1 49 PRO HD3 . . 4.100 3.314 2.688 4.112 0.012 18 0 "[ . 1 . 2]" 1
297 1 19 PHE HZ 1 49 PRO HG2 . . 7.000 2.497 1.922 3.058 . 0 0 "[ . 1 . 2]" 1
298 1 19 PHE HZ 1 49 PRO HG3 . . 6.030 2.733 2.057 3.465 . 0 0 "[ . 1 . 2]" 1
299 1 19 PHE HZ 1 52 TYR H . . 6.540 5.720 5.174 6.256 . 0 0 "[ . 1 . 2]" 1
300 1 19 PHE HZ 1 52 TYR HB2 . . 4.290 3.666 3.074 4.182 . 0 0 "[ . 1 . 2]" 1
301 1 19 PHE HZ 1 52 TYR HB3 . . 4.750 3.338 2.778 4.080 . 0 0 "[ . 1 . 2]" 1
302 1 19 PHE HZ 1 53 VAL MG1 . . 7.430 3.853 3.025 4.574 . 0 0 "[ . 1 . 2]" 1
303 1 20 LYS H 1 20 LYS HA . . 3.040 2.932 2.918 2.940 . 0 0 "[ . 1 . 2]" 1
304 1 20 LYS H 1 20 LYS HB2 . . 4.100 3.673 3.552 3.810 . 0 0 "[ . 1 . 2]" 1
305 1 20 LYS H 1 20 LYS HB3 . . 3.830 2.588 2.449 2.759 . 0 0 "[ . 1 . 2]" 1
306 1 20 LYS H 1 23 ASP HB2 . . 4.520 2.249 1.948 2.661 . 0 0 "[ . 1 . 2]" 1
307 1 20 LYS H 1 23 ASP HB3 . . 4.190 2.918 2.658 3.182 . 0 0 "[ . 1 . 2]" 1
308 1 20 LYS HA 1 21 LYS H . . 2.490 2.253 2.193 2.307 . 0 0 "[ . 1 . 2]" 1
309 1 20 LYS HA 1 21 LYS HB2 . . 4.420 4.463 4.282 4.698 0.278 18 0 "[ . 1 . 2]" 1
310 1 20 LYS HA 1 21 LYS HB3 . . 5.570 4.864 4.562 5.175 . 0 0 "[ . 1 . 2]" 1
311 1 20 LYS HB2 1 21 LYS H . . 3.960 3.590 3.254 3.925 . 0 0 "[ . 1 . 2]" 1
312 1 20 LYS HB3 1 23 ASP H . . 5.940 6.015 5.960 6.085 0.145 20 0 "[ . 1 . 2]" 1
313 1 21 LYS H 1 21 LYS HB2 . . 4.060 2.294 2.081 2.573 . 0 0 "[ . 1 . 2]" 1
314 1 21 LYS H 1 21 LYS QE . . 5.940 4.519 3.907 4.989 . 0 0 "[ . 1 . 2]" 1
315 1 21 LYS H 1 22 GLY H . . 4.210 4.502 4.367 4.609 0.399 6 0 "[ . 1 . 2]" 1
316 1 21 LYS HB2 1 22 GLY H . . 5.160 4.429 4.156 4.625 . 0 0 "[ . 1 . 2]" 1
317 1 21 LYS HB3 1 22 GLY H . . 6.030 4.306 4.010 4.476 . 0 0 "[ . 1 . 2]" 1
318 1 21 LYS QE 1 22 GLY H . . 4.470 3.613 2.750 4.179 . 0 0 "[ . 1 . 2]" 1
319 1 22 GLY H 1 22 GLY HA2 . . 2.810 2.310 2.259 2.374 . 0 0 "[ . 1 . 2]" 1
320 1 22 GLY H 1 22 GLY HA3 . . 2.860 2.910 2.853 2.948 0.088 5 0 "[ . 1 . 2]" 1
321 1 22 GLY H 1 23 ASP H . . 2.860 2.287 2.043 2.597 . 0 0 "[ . 1 . 2]" 1
322 1 22 GLY HA2 1 23 ASP H . . 4.420 2.930 2.777 3.114 . 0 0 "[ . 1 . 2]" 1
323 1 22 GLY HA3 1 23 ASP H . . 3.710 3.603 3.532 3.639 . 0 0 "[ . 1 . 2]" 1
324 1 23 ASP H 1 23 ASP HA . . 2.720 2.911 2.893 2.917 0.197 2 0 "[ . 1 . 2]" 1
325 1 23 ASP H 1 23 ASP HB2 . . 3.320 2.858 2.628 3.052 . 0 0 "[ . 1 . 2]" 1
326 1 23 ASP H 1 23 ASP HB3 . . 3.460 2.529 2.357 2.723 . 0 0 "[ . 1 . 2]" 1
327 1 23 ASP HA 1 24 ILE HB . . 4.560 4.468 4.233 4.660 0.100 20 0 "[ . 1 . 2]" 1
328 1 23 ASP HA 1 24 ILE HG13 . . 7.000 4.482 3.502 5.381 . 0 0 "[ . 1 . 2]" 1
329 1 23 ASP HB2 1 24 ILE H . . 3.780 3.809 3.742 3.864 0.084 20 0 "[ . 1 . 2]" 1
330 1 23 ASP HB2 1 25 LEU MD1 . . 6.970 5.378 5.067 5.683 . 0 0 "[ . 1 . 2]" 1
331 1 23 ASP HB2 1 25 LEU MD2 . . 8.030 4.596 4.340 4.848 . 0 0 "[ . 1 . 2]" 1
332 1 23 ASP HB2 1 25 LEU HG . . 6.590 5.473 5.270 5.622 . 0 0 "[ . 1 . 2]" 1
333 1 23 ASP HB3 1 24 ILE H . . 4.240 3.436 3.028 3.789 . 0 0 "[ . 1 . 2]" 1
334 1 23 ASP HB3 1 25 LEU MD1 . . 8.030 3.956 3.607 4.255 . 0 0 "[ . 1 . 2]" 1
335 1 23 ASP HB3 1 25 LEU MD2 . . 8.030 3.584 3.158 3.867 . 0 0 "[ . 1 . 2]" 1
336 1 24 ILE H 1 24 ILE HA . . 3.140 2.937 2.929 2.939 . 0 0 "[ . 1 . 2]" 1
337 1 24 ILE H 1 24 ILE HB . . 3.600 2.516 2.395 2.630 . 0 0 "[ . 1 . 2]" 1
338 1 24 ILE H 1 24 ILE HG12 . . 4.470 3.980 2.847 4.638 0.168 16 0 "[ . 1 . 2]" 1
339 1 24 ILE H 1 24 ILE HG13 . . 4.560 3.724 3.056 4.335 . 0 0 "[ . 1 . 2]" 1
340 1 24 ILE H 1 25 LEU H . . 4.470 4.469 4.423 4.499 0.029 15 0 "[ . 1 . 2]" 1
341 1 24 ILE HA 1 24 ILE HG12 . . 4.100 2.949 2.571 3.541 . 0 0 "[ . 1 . 2]" 1
342 1 24 ILE HA 1 25 LEU H . . 2.860 2.315 2.255 2.385 . 0 0 "[ . 1 . 2]" 1
343 1 24 ILE HA 1 25 LEU HG . . 7.000 3.185 3.055 3.375 . 0 0 "[ . 1 . 2]" 1
344 1 24 ILE HB 1 25 LEU H . . 5.210 4.087 3.955 4.223 . 0 0 "[ . 1 . 2]" 1
345 1 24 ILE MD 1 25 LEU H . . 7.290 4.290 2.972 5.062 . 0 0 "[ . 1 . 2]" 1
346 1 24 ILE MD 1 56 TYR HB2 . . 8.030 5.138 3.349 6.723 . 0 0 "[ . 1 . 2]" 1
347 1 24 ILE MD 1 56 TYR HB3 . . 8.030 5.377 3.659 6.768 . 0 0 "[ . 1 . 2]" 1
348 1 24 ILE MG 1 25 LEU H . . 4.990 2.065 1.879 2.288 . 0 0 "[ . 1 . 2]" 1
349 1 24 ILE MG 1 25 LEU HA . . 6.880 3.328 3.098 3.541 . 0 0 "[ . 1 . 2]" 1
350 1 25 LEU H 1 25 LEU HA . . 3.140 2.908 2.897 2.921 . 0 0 "[ . 1 . 2]" 1
351 1 25 LEU H 1 25 LEU HG . . 4.610 2.828 2.681 2.962 . 0 0 "[ . 1 . 2]" 1
352 1 25 LEU H 1 26 ARG H . . 4.210 4.312 4.250 4.362 0.152 15 0 "[ . 1 . 2]" 1
353 1 25 LEU H 1 26 ARG HA . . 4.930 4.529 4.472 4.585 . 0 0 "[ . 1 . 2]" 1
354 1 25 LEU HA 1 25 LEU HG . . 3.730 3.066 2.911 3.188 . 0 0 "[ . 1 . 2]" 1
355 1 25 LEU HA 1 26 ARG H . . 2.450 2.250 2.218 2.315 . 0 0 "[ . 1 . 2]" 1
356 1 25 LEU HA 1 26 ARG HB2 . . 4.930 4.468 4.131 5.218 0.288 18 0 "[ . 1 . 2]" 1
357 1 25 LEU HA 1 26 ARG HB3 . . 4.980 4.826 4.394 5.488 0.508 17 1 "[ . 1 . + 2]" 1
358 1 25 LEU HA 1 38 ALA MB . . 6.000 3.912 3.752 4.075 . 0 0 "[ . 1 . 2]" 1
359 1 25 LEU HA 1 40 ASP HB2 . . 6.450 5.700 5.491 5.856 . 0 0 "[ . 1 . 2]" 1
360 1 25 LEU HA 1 40 ASP HB3 . . 5.340 5.717 5.548 5.841 0.501 9 1 "[ . +1 . 2]" 1
361 1 25 LEU MD1 1 38 ALA MB . . 7.770 3.132 2.885 3.303 . 0 0 "[ . 1 . 2]" 1
362 1 25 LEU MD1 1 53 VAL HB . . 8.030 3.291 2.844 4.072 . 0 0 "[ . 1 . 2]" 1
363 1 25 LEU MD2 1 26 ARG H . . 6.230 4.116 3.943 4.303 . 0 0 "[ . 1 . 2]" 1
364 1 25 LEU MD2 1 40 ASP H . . 4.950 4.019 3.887 4.105 . 0 0 "[ . 1 . 2]" 1
365 1 25 LEU MD2 1 40 ASP HB2 . . 5.870 3.622 3.200 3.953 . 0 0 "[ . 1 . 2]" 1
366 1 25 LEU MD2 1 40 ASP HB3 . . 6.190 3.770 3.131 4.107 . 0 0 "[ . 1 . 2]" 1
367 1 25 LEU MD2 1 41 SER H . . 6.650 3.589 3.336 4.010 . 0 0 "[ . 1 . 2]" 1
368 1 26 ARG H 1 26 ARG HB2 . . 3.460 2.634 2.254 3.000 . 0 0 "[ . 1 . 2]" 1
369 1 26 ARG H 1 26 ARG HB3 . . 3.270 2.647 2.241 3.549 0.279 18 0 "[ . 1 . 2]" 1
370 1 26 ARG H 1 38 ALA MB . . 5.680 3.304 3.074 3.451 . 0 0 "[ . 1 . 2]" 1
371 1 26 ARG H 1 39 GLU HB2 . . 6.540 3.015 2.582 4.637 . 0 0 "[ . 1 . 2]" 1
372 1 26 ARG H 1 39 GLU HB3 . . 5.070 3.622 3.283 3.927 . 0 0 "[ . 1 . 2]" 1
373 1 26 ARG H 1 39 GLU HG3 . . 7.000 5.291 4.400 5.625 . 0 0 "[ . 1 . 2]" 1
374 1 26 ARG HA 1 27 ILE H . . 2.540 2.249 2.230 2.278 . 0 0 "[ . 1 . 2]" 1
375 1 26 ARG HA 1 39 GLU H . . 3.730 3.935 3.856 4.013 0.283 6 0 "[ . 1 . 2]" 1
376 1 26 ARG HB2 1 27 ILE H . . 5.530 4.535 4.143 4.706 . 0 0 "[ . 1 . 2]" 1
377 1 26 ARG HB2 1 39 GLU H . . 6.130 3.755 2.683 4.234 . 0 0 "[ . 1 . 2]" 1
378 1 26 ARG HB3 1 27 ILE H . . 4.520 4.378 3.958 4.608 0.088 2 0 "[ . 1 . 2]" 1
379 1 26 ARG HB3 1 39 GLU H . . 6.720 2.765 2.488 4.266 . 0 0 "[ . 1 . 2]" 1
380 1 27 ILE H 1 27 ILE HB . . 3.550 2.669 2.054 3.590 0.040 1 0 "[ . 1 . 2]" 1
381 1 27 ILE H 1 28 ARG H . . 4.610 4.532 4.490 4.567 . 0 0 "[ . 1 . 2]" 1
382 1 27 ILE H 1 38 ALA HA . . 4.060 4.283 4.170 4.487 0.427 13 0 "[ . 1 . 2]" 1
383 1 27 ILE H 1 38 ALA MB . . 5.910 2.858 2.741 3.126 . 0 0 "[ . 1 . 2]" 1
384 1 27 ILE HA 1 28 ARG H . . 2.720 2.190 2.179 2.204 . 0 0 "[ . 1 . 2]" 1
385 1 27 ILE HA 1 28 ARG HB3 . . 4.610 4.658 4.580 4.697 0.087 10 0 "[ . 1 . 2]" 1
386 1 27 ILE HA 1 29 ASP H . . 3.410 3.551 3.491 3.598 0.188 8 0 "[ . 1 . 2]" 1
387 1 27 ILE HA 1 36 TRP HE3 . . 7.000 5.469 5.203 5.823 . 0 0 "[ . 1 . 2]" 1
388 1 27 ILE HA 1 38 ALA HA . . 3.320 1.952 1.846 2.259 . 0 0 "[ . 1 . 2]" 1
389 1 27 ILE HA 1 38 ALA MB . . 5.680 1.877 1.818 1.930 . 0 0 "[ . 1 . 2]" 1
390 1 27 ILE HA 1 39 GLU H . . 3.410 3.607 3.485 3.745 0.335 13 0 "[ . 1 . 2]" 1
391 1 27 ILE HB 1 28 ARG H . . 5.300 4.195 3.399 4.546 . 0 0 "[ . 1 . 2]" 1
392 1 27 ILE HB 1 36 TRP HE3 . . 7.000 3.874 3.050 4.863 . 0 0 "[ . 1 . 2]" 1
393 1 27 ILE MD 1 28 ARG H . . 5.730 3.336 2.435 4.295 . 0 0 "[ . 1 . 2]" 1
394 1 27 ILE MD 1 29 ASP H . . 5.360 3.411 2.374 4.466 . 0 0 "[ . 1 . 2]" 1
395 1 27 ILE MD 1 36 TRP H . . 8.030 4.783 3.474 6.496 . 0 0 "[ . 1 . 2]" 1
396 1 27 ILE MD 1 36 TRP HB2 . . 5.310 2.843 1.770 4.302 . 0 0 "[ . 1 . 2]" 1
397 1 27 ILE MD 1 36 TRP HB3 . . 5.680 2.674 1.798 3.727 . 0 0 "[ . 1 . 2]" 1
398 1 27 ILE MD 1 36 TRP HE3 . . 5.180 2.479 1.898 3.204 . 0 0 "[ . 1 . 2]" 1
399 1 27 ILE MD 1 36 TRP HZ3 . . 7.610 4.030 3.269 5.035 . 0 0 "[ . 1 . 2]" 1
400 1 27 ILE MD 1 37 ASN H . . 7.110 3.770 2.233 4.995 . 0 0 "[ . 1 . 2]" 1
401 1 27 ILE MD 1 38 ALA HA . . 7.840 3.932 2.522 4.934 . 0 0 "[ . 1 . 2]" 1
402 1 27 ILE MD 1 39 GLU H . . 7.520 5.469 4.453 6.369 . 0 0 "[ . 1 . 2]" 1
403 1 28 ARG H 1 28 ARG HB2 . . 3.640 3.270 2.909 3.754 0.114 2 0 "[ . 1 . 2]" 1
404 1 28 ARG H 1 28 ARG HB3 . . 4.060 2.880 2.631 3.274 . 0 0 "[ . 1 . 2]" 1
405 1 28 ARG H 1 29 ASP H . . 2.770 1.771 1.698 1.847 . 0 0 "[ . 1 . 2]" 1
406 1 28 ARG H 1 38 ALA HA . . 3.000 2.695 2.544 2.861 . 0 0 "[ . 1 . 2]" 1
407 1 28 ARG H 1 38 ALA MB . . 7.150 3.609 3.341 3.712 . 0 0 "[ . 1 . 2]" 1
408 1 28 ARG H 1 39 GLU H . . 4.750 4.680 4.532 4.766 0.016 2 0 "[ . 1 . 2]" 1
409 1 28 ARG HA 1 28 ARG HB3 . . 3.140 2.812 2.415 3.062 . 0 0 "[ . 1 . 2]" 1
410 1 28 ARG HA 1 29 ASP H . . 3.640 3.512 3.489 3.529 . 0 0 "[ . 1 . 2]" 1
411 1 28 ARG HB2 1 29 ASP H . . 3.960 4.043 3.987 4.095 0.135 17 0 "[ . 1 . 2]" 1
412 1 28 ARG HB3 1 29 ASP H . . 4.240 3.522 2.997 4.257 0.017 11 0 "[ . 1 . 2]" 1
413 1 28 ARG HB3 1 38 ALA HA . . 7.000 4.542 4.203 4.992 . 0 0 "[ . 1 . 2]" 1
414 1 28 ARG QG 1 29 ASP H . . 7.880 3.399 2.108 4.288 . 0 0 "[ . 1 . 2]" 1
415 1 29 ASP H 1 29 ASP HB2 . . 4.330 2.769 2.393 3.686 . 0 0 "[ . 1 . 2]" 1
416 1 29 ASP H 1 29 ASP HB3 . . 3.730 3.522 3.047 3.783 0.053 16 0 "[ . 1 . 2]" 1
417 1 29 ASP H 1 37 ASN H . . 3.600 3.461 3.325 3.634 0.034 18 0 "[ . 1 . 2]" 1
418 1 29 ASP H 1 37 ASN HB2 . . 4.650 3.917 3.770 4.113 . 0 0 "[ . 1 . 2]" 1
419 1 29 ASP H 1 37 ASN HB3 . . 4.840 3.101 2.855 3.573 . 0 0 "[ . 1 . 2]" 1
420 1 29 ASP H 1 38 ALA HA . . 4.290 3.966 3.876 4.047 . 0 0 "[ . 1 . 2]" 1
421 1 29 ASP HA 1 30 LYS HG2 . . 6.400 4.733 3.496 6.405 0.005 14 0 "[ . 1 . 2]" 1
422 1 29 ASP HA 1 30 LYS HG3 . . 7.000 4.586 2.967 6.758 . 0 0 "[ . 1 . 2]" 1
423 1 29 ASP HB2 1 30 LYS H . . 4.750 3.896 2.670 4.407 . 0 0 "[ . 1 . 2]" 1
424 1 29 ASP HB2 1 37 ASN H . . 7.000 3.453 2.654 4.546 . 0 0 "[ . 1 . 2]" 1
425 1 29 ASP HB3 1 30 LYS H . . 4.380 3.165 2.749 3.627 . 0 0 "[ . 1 . 2]" 1
426 1 29 ASP HB3 1 37 ASN H . . 5.990 3.698 2.504 5.423 . 0 0 "[ . 1 . 2]" 1
427 1 30 LYS H 1 30 LYS HB3 . . 4.190 3.602 2.746 3.964 . 0 0 "[ . 1 . 2]" 1
428 1 30 LYS H 1 31 PRO HA . . 4.420 4.172 3.994 4.318 . 0 0 "[ . 1 . 2]" 1
429 1 30 LYS HA 1 30 LYS HG2 . . 4.470 3.276 2.712 3.909 . 0 0 "[ . 1 . 2]" 1
430 1 30 LYS HA 1 32 GLU H . . 3.830 3.467 2.923 3.900 0.070 1 0 "[ . 1 . 2]" 1
431 1 30 LYS HA 1 36 TRP HA . . 3.410 2.387 2.075 2.706 . 0 0 "[ . 1 . 2]" 1
432 1 30 LYS HA 1 36 TRP HD1 . . 4.290 3.000 2.364 3.641 . 0 0 "[ . 1 . 2]" 1
433 1 30 LYS HA 1 36 TRP HE1 . . 7.000 4.670 3.950 5.502 . 0 0 "[ . 1 . 2]" 1
434 1 30 LYS HA 1 37 ASN H . . 3.600 2.942 2.438 3.367 . 0 0 "[ . 1 . 2]" 1
435 1 30 LYS HA 1 47 MET ME . . 8.030 4.628 3.786 6.583 . 0 0 "[ . 1 . 2]" 1
436 1 30 LYS HB2 1 36 TRP HD1 . . 5.900 4.055 2.974 5.047 . 0 0 "[ . 1 . 2]" 1
437 1 30 LYS HB2 1 36 TRP HE1 . . 4.750 4.177 3.070 4.869 0.119 20 0 "[ . 1 . 2]" 1
438 1 30 LYS HB2 1 36 TRP HZ2 . . 7.000 4.811 3.619 5.841 . 0 0 "[ . 1 . 2]" 1
439 1 30 LYS HB3 1 36 TRP HD1 . . 7.000 3.830 2.382 5.480 . 0 0 "[ . 1 . 2]" 1
440 1 30 LYS HB3 1 36 TRP HE1 . . 7.000 4.214 2.654 5.841 . 0 0 "[ . 1 . 2]" 1
441 1 30 LYS HG2 1 36 TRP HD1 . . 6.360 4.869 2.828 6.000 . 0 0 "[ . 1 . 2]" 1
442 1 30 LYS HG3 1 36 TRP HD1 . . 7.000 4.987 3.146 6.078 . 0 0 "[ . 1 . 2]" 1
443 1 30 LYS HG3 1 36 TRP HE1 . . 7.000 5.223 2.828 6.966 . 0 0 "[ . 1 . 2]" 1
444 1 30 LYS HG3 1 36 TRP HE3 . . 7.000 4.561 3.351 6.011 . 0 0 "[ . 1 . 2]" 1
445 1 31 PRO HA 1 32 GLU H . . 3.550 3.411 3.148 3.535 . 0 0 "[ . 1 . 2]" 1
446 1 31 PRO QD 1 32 GLU H . . 7.190 2.454 2.240 2.879 . 0 0 "[ . 1 . 2]" 1
447 1 31 PRO QD 1 36 TRP HD1 . . 6.860 3.339 2.868 3.917 . 0 0 "[ . 1 . 2]" 1
448 1 31 PRO QG 1 32 GLU H . . 7.880 2.998 2.444 3.932 . 0 0 "[ . 1 . 2]" 1
449 1 31 PRO QG 1 37 ASN H . . 7.550 4.330 3.696 4.911 . 0 0 "[ . 1 . 2]" 1
450 1 32 GLU H 1 32 GLU HA . . 3.090 2.873 2.820 2.915 . 0 0 "[ . 1 . 2]" 1
451 1 32 GLU H 1 32 GLU HB2 . . 3.870 2.663 2.469 2.995 . 0 0 "[ . 1 . 2]" 1
452 1 32 GLU H 1 32 GLU HB3 . . 4.100 3.696 3.565 3.951 . 0 0 "[ . 1 . 2]" 1
453 1 32 GLU H 1 33 GLU H . . 4.560 4.497 4.338 4.587 0.027 15 0 "[ . 1 . 2]" 1
454 1 32 GLU H 1 36 TRP HA . . 4.060 3.562 3.232 3.943 . 0 0 "[ . 1 . 2]" 1
455 1 32 GLU H 1 36 TRP HE1 . . 7.000 4.283 3.743 5.145 . 0 0 "[ . 1 . 2]" 1
456 1 32 GLU H 1 47 MET ME . . 6.330 4.242 3.486 5.184 . 0 0 "[ . 1 . 2]" 1
457 1 32 GLU HA 1 33 GLU H . . 2.770 2.652 2.582 2.792 0.022 8 0 "[ . 1 . 2]" 1
458 1 32 GLU HA 1 33 GLU HG2 . . 5.440 4.323 3.668 5.134 . 0 0 "[ . 1 . 2]" 1
459 1 32 GLU HA 1 34 GLN H . . 4.610 4.357 4.057 4.660 0.050 15 0 "[ . 1 . 2]" 1
460 1 32 GLU HB2 1 33 GLU H . . 3.730 3.208 2.825 3.356 . 0 0 "[ . 1 . 2]" 1
461 1 32 GLU HB2 1 33 GLU HA . . 4.610 4.628 4.474 4.711 0.101 18 0 "[ . 1 . 2]" 1
462 1 32 GLU HB2 1 34 GLN H . . 4.520 2.739 2.378 3.113 . 0 0 "[ . 1 . 2]" 1
463 1 32 GLU HB2 1 35 TRP H . . 3.500 2.105 1.902 2.357 . 0 0 "[ . 1 . 2]" 1
464 1 32 GLU HB2 1 35 TRP HB3 . . 3.920 3.980 3.823 4.068 0.148 16 0 "[ . 1 . 2]" 1
465 1 32 GLU HB2 1 35 TRP HD1 . . 7.000 4.823 4.214 5.257 . 0 0 "[ . 1 . 2]" 1
466 1 32 GLU HB3 1 33 GLU H . . 5.440 2.233 2.043 2.388 . 0 0 "[ . 1 . 2]" 1
467 1 32 GLU HB3 1 35 TRP H . . 4.610 2.801 2.677 2.913 . 0 0 "[ . 1 . 2]" 1
468 1 32 GLU HB3 1 35 TRP HB3 . . 5.070 5.014 4.886 5.165 0.095 20 0 "[ . 1 . 2]" 1
469 1 32 GLU HB3 1 35 TRP HD1 . . 7.000 4.664 3.982 5.034 . 0 0 "[ . 1 . 2]" 1
470 1 32 GLU QG 1 33 GLU H . . 6.540 4.143 3.822 4.355 . 0 0 "[ . 1 . 2]" 1
471 1 32 GLU QG 1 35 TRP H . . 7.880 3.806 3.407 4.199 . 0 0 "[ . 1 . 2]" 1
472 1 33 GLU H 1 33 GLU HA . . 3.090 2.913 2.900 2.919 . 0 0 "[ . 1 . 2]" 1
473 1 33 GLU H 1 33 GLU HG2 . . 4.650 3.030 1.948 3.900 . 0 0 "[ . 1 . 2]" 1
474 1 33 GLU H 1 33 GLU HG3 . . 5.760 3.532 2.574 4.340 . 0 0 "[ . 1 . 2]" 1
475 1 33 GLU H 1 34 GLN H . . 3.180 2.674 1.905 3.175 . 0 0 "[ . 1 . 2]" 1
476 1 33 GLU H 1 34 GLN HG3 . . 7.000 4.899 3.666 6.524 . 0 0 "[ . 1 . 2]" 1
477 1 33 GLU HA 1 34 GLN H . . 3.320 2.994 2.680 3.454 0.134 8 0 "[ . 1 . 2]" 1
478 1 33 GLU HA 1 34 GLN HG3 . . 7.000 5.302 4.621 7.075 0.075 14 0 "[ . 1 . 2]" 1
479 1 33 GLU HA 1 36 TRP HD1 . . 7.000 4.243 3.906 4.478 . 0 0 "[ . 1 . 2]" 1
480 1 33 GLU HA 1 36 TRP HE1 . . 4.470 2.012 1.880 2.314 . 0 0 "[ . 1 . 2]" 1
481 1 33 GLU HA 1 36 TRP HZ2 . . 7.000 3.526 3.286 3.884 . 0 0 "[ . 1 . 2]" 1
482 1 33 GLU HG2 1 34 GLN H . . 5.210 4.645 2.696 5.121 . 0 0 "[ . 1 . 2]" 1
483 1 34 GLN H 1 34 GLN HA . . 3.040 2.798 2.685 2.919 . 0 0 "[ . 1 . 2]" 1
484 1 34 GLN H 1 34 GLN HB2 . . 3.460 3.005 2.487 3.265 . 0 0 "[ . 1 . 2]" 1
485 1 34 GLN H 1 34 GLN HB3 . . 3.960 3.776 2.479 3.905 . 0 0 "[ . 1 . 2]" 1
486 1 34 GLN H 1 34 GLN HG2 . . 4.240 4.115 3.119 4.431 0.191 13 0 "[ . 1 . 2]" 1
487 1 34 GLN H 1 35 TRP H . . 2.950 1.864 1.786 1.945 . 0 0 "[ . 1 . 2]" 1
488 1 34 GLN H 1 35 TRP HD1 . . 7.000 4.946 4.117 5.605 . 0 0 "[ . 1 . 2]" 1
489 1 34 GLN HA 1 34 GLN HG2 . . 3.920 2.264 1.979 3.667 . 0 0 "[ . 1 . 2]" 1
490 1 34 GLN HA 1 35 TRP H . . 3.460 3.576 3.510 3.615 0.155 6 0 "[ . 1 . 2]" 1
491 1 34 GLN HA 1 50 VAL H . . 3.830 3.193 2.921 3.647 . 0 0 "[ . 1 . 2]" 1
492 1 34 GLN HA 1 50 VAL HB . . 4.240 2.074 1.967 2.668 . 0 0 "[ . 1 . 2]" 1
493 1 34 GLN HA 1 50 VAL MG1 . . 6.000 3.350 3.181 3.792 . 0 0 "[ . 1 . 2]" 1
494 1 34 GLN HA 1 50 VAL MG2 . . 6.560 2.861 2.332 3.254 . 0 0 "[ . 1 . 2]" 1
495 1 34 GLN HB2 1 35 TRP H . . 5.110 3.040 2.659 4.269 . 0 0 "[ . 1 . 2]" 1
496 1 34 GLN HB2 1 35 TRP HD1 . . 4.610 3.520 2.613 4.421 . 0 0 "[ . 1 . 2]" 1
497 1 34 GLN HB2 1 50 VAL H . . 7.000 5.051 4.609 5.336 . 0 0 "[ . 1 . 2]" 1
498 1 34 GLN HB2 1 50 VAL HB . . 4.790 4.882 4.811 4.979 0.189 20 0 "[ . 1 . 2]" 1
499 1 34 GLN HB3 1 35 TRP H . . 5.390 3.494 3.102 3.945 . 0 0 "[ . 1 . 2]" 1
500 1 34 GLN HB3 1 35 TRP HB3 . . 7.000 5.791 5.497 6.297 . 0 0 "[ . 1 . 2]" 1
501 1 34 GLN HB3 1 35 TRP HD1 . . 5.300 3.436 2.963 3.916 . 0 0 "[ . 1 . 2]" 1
502 1 34 GLN HB3 1 35 TRP HE1 . . 7.000 4.481 3.914 4.951 . 0 0 "[ . 1 . 2]" 1
503 1 34 GLN HB3 1 50 VAL HB . . 5.340 4.173 3.829 5.425 0.085 14 0 "[ . 1 . 2]" 1
504 1 35 TRP H 1 35 TRP HB2 . . 3.730 2.414 2.334 2.537 . 0 0 "[ . 1 . 2]" 1
505 1 35 TRP H 1 35 TRP HB3 . . 4.380 3.602 3.561 3.675 . 0 0 "[ . 1 . 2]" 1
506 1 35 TRP H 1 36 TRP H . . 4.240 4.141 3.983 4.289 0.049 10 0 "[ . 1 . 2]" 1
507 1 35 TRP H 1 36 TRP HE1 . . 7.000 4.245 3.833 4.959 . 0 0 "[ . 1 . 2]" 1
508 1 35 TRP HA 1 36 TRP H . . 2.680 2.231 2.205 2.266 . 0 0 "[ . 1 . 2]" 1
509 1 35 TRP HA 1 36 TRP HD1 . . 7.000 4.258 3.888 5.184 . 0 0 "[ . 1 . 2]" 1
510 1 35 TRP HA 1 48 ILE H . . 4.650 4.014 3.755 4.268 . 0 0 "[ . 1 . 2]" 1
511 1 35 TRP HA 1 49 PRO HA . . 4.330 2.911 2.697 3.090 . 0 0 "[ . 1 . 2]" 1
512 1 35 TRP HA 1 49 PRO HB2 . . 7.000 5.624 5.396 5.805 . 0 0 "[ . 1 . 2]" 1
513 1 35 TRP HA 1 50 VAL H . . 3.730 3.387 3.123 3.659 . 0 0 "[ . 1 . 2]" 1
514 1 35 TRP HB2 1 36 TRP H . . 4.930 4.586 4.511 4.634 . 0 0 "[ . 1 . 2]" 1
515 1 35 TRP HB2 1 36 TRP HA . . 5.300 5.138 4.988 5.207 . 0 0 "[ . 1 . 2]" 1
516 1 35 TRP HB2 1 47 MET HA . . 7.000 6.115 5.625 6.369 . 0 0 "[ . 1 . 2]" 1
517 1 35 TRP HB2 1 48 ILE H . . 7.000 6.007 5.731 6.375 . 0 0 "[ . 1 . 2]" 1
518 1 35 TRP HB3 1 35 TRP HE3 . . 4.150 2.625 2.451 2.801 . 0 0 "[ . 1 . 2]" 1
519 1 35 TRP HB3 1 36 TRP H . . 4.470 3.866 3.624 3.995 . 0 0 "[ . 1 . 2]" 1
520 1 35 TRP HB3 1 47 MET HB2 . . 5.020 4.404 3.947 4.703 . 0 0 "[ . 1 . 2]" 1
521 1 35 TRP HB3 1 47 MET ME . . 6.100 2.816 1.908 3.930 . 0 0 "[ . 1 . 2]" 1
522 1 35 TRP HE3 1 36 TRP H . . 6.030 3.919 3.543 4.499 . 0 0 "[ . 1 . 2]" 1
523 1 35 TRP HE3 1 47 MET HA . . 7.000 3.613 3.358 4.102 . 0 0 "[ . 1 . 2]" 1
524 1 35 TRP HE3 1 47 MET HB2 . . 4.060 3.657 3.048 4.137 0.077 19 0 "[ . 1 . 2]" 1
525 1 35 TRP HE3 1 47 MET HB3 . . 6.770 2.477 2.000 3.121 . 0 0 "[ . 1 . 2]" 1
526 1 35 TRP HE3 1 47 MET ME . . 5.500 3.757 3.178 4.592 . 0 0 "[ . 1 . 2]" 1
527 1 35 TRP HE3 1 48 ILE H . . 6.310 3.053 2.631 3.632 . 0 0 "[ . 1 . 2]" 1
528 1 35 TRP HE3 1 48 ILE HA . . 6.950 3.356 2.978 3.775 . 0 0 "[ . 1 . 2]" 1
529 1 35 TRP HE3 1 49 PRO HA . . 5.530 3.850 3.456 4.171 . 0 0 "[ . 1 . 2]" 1
530 1 35 TRP HE3 1 49 PRO HB2 . . 7.000 6.071 5.691 6.435 . 0 0 "[ . 1 . 2]" 1
531 1 35 TRP HE3 1 49 PRO HD3 . . 5.800 3.989 3.580 4.281 . 0 0 "[ . 1 . 2]" 1
532 1 35 TRP HH2 1 49 PRO HA . . 7.000 5.004 4.534 5.522 . 0 0 "[ . 1 . 2]" 1
533 1 35 TRP HH2 1 49 PRO HB2 . . 6.310 5.175 4.429 5.839 . 0 0 "[ . 1 . 2]" 1
534 1 35 TRP HH2 1 49 PRO HB3 . . 6.490 3.754 3.014 4.419 . 0 0 "[ . 1 . 2]" 1
535 1 35 TRP HH2 1 49 PRO HD3 . . 6.490 3.129 2.663 4.262 . 0 0 "[ . 1 . 2]" 1
536 1 35 TRP HH2 1 49 PRO HG2 . . 7.000 4.639 4.035 5.392 . 0 0 "[ . 1 . 2]" 1
537 1 35 TRP HZ2 1 49 PRO HA . . 7.000 5.012 4.703 5.324 . 0 0 "[ . 1 . 2]" 1
538 1 35 TRP HZ2 1 49 PRO HB2 . . 7.000 5.144 4.562 5.623 . 0 0 "[ . 1 . 2]" 1
539 1 35 TRP HZ2 1 49 PRO HB3 . . 6.220 3.494 2.981 3.898 . 0 0 "[ . 1 . 2]" 1
540 1 35 TRP HZ3 1 47 MET HB2 . . 7.000 4.384 3.581 5.208 . 0 0 "[ . 1 . 2]" 1
541 1 35 TRP HZ3 1 47 MET HB3 . . 7.000 3.520 2.935 4.203 . 0 0 "[ . 1 . 2]" 1
542 1 35 TRP HZ3 1 48 ILE HA . . 7.000 2.426 1.979 3.577 . 0 0 "[ . 1 . 2]" 1
543 1 35 TRP HZ3 1 49 PRO HA . . 7.000 4.441 3.811 4.954 . 0 0 "[ . 1 . 2]" 1
544 1 35 TRP HZ3 1 49 PRO HB2 . . 7.000 5.619 4.870 6.248 . 0 0 "[ . 1 . 2]" 1
545 1 35 TRP HZ3 1 49 PRO HD2 . . 5.160 3.989 3.660 4.843 . 0 0 "[ . 1 . 2]" 1
546 1 35 TRP HZ3 1 49 PRO HD3 . . 5.800 2.351 1.990 3.112 . 0 0 "[ . 1 . 2]" 1
547 1 35 TRP HZ3 1 49 PRO HG2 . . 6.220 5.011 4.405 5.606 . 0 0 "[ . 1 . 2]" 1
548 1 36 TRP H 1 36 TRP HB2 . . 3.730 2.547 2.410 2.667 . 0 0 "[ . 1 . 2]" 1
549 1 36 TRP H 1 37 ASN H . . 4.420 4.516 4.479 4.554 0.134 18 0 "[ . 1 . 2]" 1
550 1 36 TRP H 1 47 MET HA . . 4.400 4.507 4.419 4.585 0.185 9 0 "[ . 1 . 2]" 1
551 1 36 TRP H 1 47 MET HB2 . . 7.000 6.383 6.194 6.583 . 0 0 "[ . 1 . 2]" 1
552 1 36 TRP H 1 48 ILE H . . 3.640 3.111 2.938 3.287 . 0 0 "[ . 1 . 2]" 1
553 1 36 TRP H 1 48 ILE HA . . 5.110 5.074 4.947 5.219 0.109 20 0 "[ . 1 . 2]" 1
554 1 36 TRP H 1 49 PRO HA . . 4.190 4.094 3.955 4.166 . 0 0 "[ . 1 . 2]" 1
555 1 36 TRP H 1 50 VAL H . . 3.910 4.045 3.968 4.158 0.248 15 0 "[ . 1 . 2]" 1
556 1 36 TRP HA 1 36 TRP HD1 . . 3.870 2.346 2.171 2.483 . 0 0 "[ . 1 . 2]" 1
557 1 36 TRP HA 1 36 TRP HE1 . . 6.720 4.894 4.747 5.056 . 0 0 "[ . 1 . 2]" 1
558 1 36 TRP HA 1 37 ASN H . . 2.950 2.459 2.384 2.608 . 0 0 "[ . 1 . 2]" 1
559 1 36 TRP HA 1 37 ASN HA . . 4.260 4.314 4.295 4.352 0.092 15 0 "[ . 1 . 2]" 1
560 1 36 TRP HA 1 37 ASN HB2 . . 4.010 4.182 4.152 4.240 0.230 17 0 "[ . 1 . 2]" 1
561 1 36 TRP HA 1 37 ASN HB3 . . 5.670 5.395 5.264 5.594 . 0 0 "[ . 1 . 2]" 1
562 1 36 TRP HA 1 47 MET ME . . 6.230 3.041 2.523 5.067 . 0 0 "[ . 1 . 2]" 1
563 1 36 TRP HB2 1 36 TRP HE3 . . 4.380 2.687 2.478 2.850 . 0 0 "[ . 1 . 2]" 1
564 1 36 TRP HB2 1 37 ASN H . . 4.060 3.673 3.212 3.901 . 0 0 "[ . 1 . 2]" 1
565 1 36 TRP HB2 1 38 ALA MB . . 8.030 3.937 3.721 4.176 . 0 0 "[ . 1 . 2]" 1
566 1 36 TRP HB3 1 37 ASN H . . 3.830 2.575 2.353 2.740 . 0 0 "[ . 1 . 2]" 1
567 1 36 TRP HB3 1 50 VAL MG2 . . 6.560 3.907 3.577 4.354 . 0 0 "[ . 1 . 2]" 1
568 1 36 TRP HD1 1 37 ASN H . . 6.950 4.641 4.162 4.833 . 0 0 "[ . 1 . 2]" 1
569 1 36 TRP HE1 1 50 VAL MG1 . . 6.140 4.455 3.963 4.781 . 0 0 "[ . 1 . 2]" 1
570 1 36 TRP HE1 1 50 VAL MG2 . . 7.610 3.170 2.646 3.586 . 0 0 "[ . 1 . 2]" 1
571 1 36 TRP HE3 1 38 ALA MB . . 7.840 4.772 4.348 5.006 . 0 0 "[ . 1 . 2]" 1
572 1 36 TRP HE3 1 50 VAL HA . . 6.720 5.076 4.258 5.511 . 0 0 "[ . 1 . 2]" 1
573 1 36 TRP HE3 1 50 VAL MG1 . . 6.740 4.198 3.626 4.642 . 0 0 "[ . 1 . 2]" 1
574 1 36 TRP HE3 1 50 VAL MG2 . . 8.030 2.845 2.485 3.157 . 0 0 "[ . 1 . 2]" 1
575 1 36 TRP HH2 1 50 VAL MG1 . . 7.250 3.184 2.578 3.754 . 0 0 "[ . 1 . 2]" 1
576 1 36 TRP HH2 1 50 VAL MG2 . . 6.970 3.784 3.319 4.178 . 0 0 "[ . 1 . 2]" 1
577 1 36 TRP HZ2 1 50 VAL MG1 . . 7.200 3.301 2.370 3.729 . 0 0 "[ . 1 . 2]" 1
578 1 36 TRP HZ2 1 50 VAL MG2 . . 6.880 3.405 2.877 3.767 . 0 0 "[ . 1 . 2]" 1
579 1 36 TRP HZ3 1 50 VAL MG1 . . 7.840 3.552 2.605 4.004 . 0 0 "[ . 1 . 2]" 1
580 1 36 TRP HZ3 1 50 VAL MG2 . . 8.030 3.450 2.988 3.843 . 0 0 "[ . 1 . 2]" 1
581 1 36 TRP HZ3 1 53 VAL MG2 . . 8.030 5.016 4.064 5.714 . 0 0 "[ . 1 . 2]" 1
582 1 37 ASN H 1 37 ASN HB2 . . 3.960 2.249 2.119 2.399 . 0 0 "[ . 1 . 2]" 1
583 1 37 ASN H 1 37 ASN HB3 . . 3.780 3.041 2.938 3.261 . 0 0 "[ . 1 . 2]" 1
584 1 37 ASN H 1 38 ALA H . . 4.980 4.365 4.148 4.432 . 0 0 "[ . 1 . 2]" 1
585 1 37 ASN HA 1 38 ALA H . . 2.580 2.256 2.251 2.302 . 0 0 "[ . 1 . 2]" 1
586 1 37 ASN HA 1 38 ALA MB . . 7.380 4.013 3.944 4.115 . 0 0 "[ . 1 . 2]" 1
587 1 37 ASN HA 1 46 GLY H . . 4.930 4.103 3.992 4.210 . 0 0 "[ . 1 . 2]" 1
588 1 37 ASN HA 1 47 MET HA . . 3.230 2.501 2.269 2.697 . 0 0 "[ . 1 . 2]" 1
589 1 37 ASN HA 1 48 ILE H . . 3.460 3.460 3.181 3.553 0.093 20 0 "[ . 1 . 2]" 1
590 1 37 ASN HB2 1 38 ALA H . . 4.930 4.646 4.591 4.726 . 0 0 "[ . 1 . 2]" 1
591 1 37 ASN HB3 1 38 ALA H . . 5.530 3.983 3.833 4.223 . 0 0 "[ . 1 . 2]" 1
592 1 37 ASN HB3 1 47 MET HA . . 7.000 5.352 5.190 5.551 . 0 0 "[ . 1 . 2]" 1
593 1 38 ALA H 1 46 GLY H . . 3.270 2.971 2.847 3.292 0.022 8 0 "[ . 1 . 2]" 1
594 1 38 ALA H 1 46 GLY QA . . 7.000 4.313 4.207 4.546 . 0 0 "[ . 1 . 2]" 1
595 1 38 ALA H 1 47 MET HA . . 3.500 3.586 3.279 3.721 0.221 18 0 "[ . 1 . 2]" 1
596 1 38 ALA HA 1 39 GLU H . . 2.810 2.478 2.408 2.519 . 0 0 "[ . 1 . 2]" 1
597 1 38 ALA HA 1 39 GLU HA . . 4.520 4.302 4.287 4.320 . 0 0 "[ . 1 . 2]" 1
598 1 38 ALA MB 1 39 GLU H . . 4.580 2.564 2.411 2.727 . 0 0 "[ . 1 . 2]" 1
599 1 38 ALA MB 1 39 GLU HA . . 8.030 4.176 4.115 4.238 . 0 0 "[ . 1 . 2]" 1
600 1 38 ALA MB 1 46 GLY H . . 7.940 4.401 4.263 4.496 . 0 0 "[ . 1 . 2]" 1
601 1 38 ALA MB 1 48 ILE H . . 8.030 4.136 3.858 4.366 . 0 0 "[ . 1 . 2]" 1
602 1 39 GLU H 1 39 GLU HA . . 2.740 2.891 2.877 2.905 0.165 1 0 "[ . 1 . 2]" 1
603 1 39 GLU H 1 39 GLU HB2 . . 3.960 2.362 2.176 3.438 . 0 0 "[ . 1 . 2]" 1
604 1 39 GLU H 1 39 GLU HB3 . . 3.500 3.365 2.222 3.523 0.023 7 0 "[ . 1 . 2]" 1
605 1 39 GLU H 1 39 GLU HG3 . . 4.980 3.916 3.745 4.477 . 0 0 "[ . 1 . 2]" 1
606 1 39 GLU H 1 45 ARG HA . . 4.000 4.263 4.202 4.327 0.327 6 0 "[ . 1 . 2]" 1
607 1 39 GLU HA 1 40 ASP H . . 2.490 2.426 2.393 2.457 . 0 0 "[ . 1 . 2]" 1
608 1 39 GLU HA 1 43 GLY HA3 . . 5.480 5.630 5.534 5.738 0.258 11 0 "[ . 1 . 2]" 1
609 1 39 GLU HA 1 44 LYS H . . 5.390 4.756 4.637 4.893 . 0 0 "[ . 1 . 2]" 1
610 1 39 GLU HA 1 45 ARG H . . 4.380 4.145 4.046 4.236 . 0 0 "[ . 1 . 2]" 1
611 1 39 GLU HA 1 45 ARG HA . . 2.770 2.020 1.887 2.093 . 0 0 "[ . 1 . 2]" 1
612 1 39 GLU HA 1 45 ARG HB2 . . 4.930 4.892 4.603 5.065 0.135 10 0 "[ . 1 . 2]" 1
613 1 39 GLU HA 1 45 ARG HG2 . . 5.940 3.857 2.616 4.441 . 0 0 "[ . 1 . 2]" 1
614 1 39 GLU HA 1 45 ARG HG3 . . 7.000 3.844 2.933 5.083 . 0 0 "[ . 1 . 2]" 1
615 1 39 GLU HA 1 46 GLY H . . 3.920 3.377 3.246 3.476 . 0 0 "[ . 1 . 2]" 1
616 1 39 GLU HB2 1 40 ASP H . . 3.960 3.949 3.220 4.081 0.121 15 0 "[ . 1 . 2]" 1
617 1 39 GLU HB3 1 40 ASP H . . 3.920 2.849 2.619 4.130 0.210 5 0 "[ . 1 . 2]" 1
618 1 39 GLU HB3 1 43 GLY HA3 . . 5.020 3.941 3.665 5.425 0.405 12 0 "[ . 1 . 2]" 1
619 1 39 GLU HB3 1 45 ARG HA . . 7.000 4.304 4.176 4.512 . 0 0 "[ . 1 . 2]" 1
620 1 39 GLU HG2 1 40 ASP H . . 4.380 4.068 2.018 4.392 0.012 7 0 "[ . 1 . 2]" 1
621 1 39 GLU HG2 1 43 GLY H . . 4.560 4.402 2.342 4.710 0.150 8 0 "[ . 1 . 2]" 1
622 1 39 GLU HG2 1 43 GLY HA2 . . 6.820 2.596 2.347 2.706 . 0 0 "[ . 1 . 2]" 1
623 1 39 GLU HG2 1 43 GLY HA3 . . 5.530 3.604 3.331 4.113 . 0 0 "[ . 1 . 2]" 1
624 1 39 GLU HG2 1 44 LYS H . . 4.790 4.769 3.917 4.973 0.183 20 0 "[ . 1 . 2]" 1
625 1 39 GLU HG2 1 44 LYS HA . . 6.030 4.967 4.800 5.622 . 0 0 "[ . 1 . 2]" 1
626 1 39 GLU HG2 1 45 ARG HA . . 6.130 4.100 3.889 4.880 . 0 0 "[ . 1 . 2]" 1
627 1 39 GLU HG3 1 40 ASP H . . 4.980 3.606 3.493 3.737 . 0 0 "[ . 1 . 2]" 1
628 1 39 GLU HG3 1 43 GLY H . . 4.840 4.809 2.974 5.148 0.308 20 0 "[ . 1 . 2]" 1
629 1 39 GLU HG3 1 43 GLY HA2 . . 6.260 3.445 1.604 3.737 . 0 0 "[ . 1 . 2]" 1
630 1 39 GLU HG3 1 43 GLY HA3 . . 7.000 4.453 3.340 4.660 . 0 0 "[ . 1 . 2]" 1
631 1 39 GLU HG3 1 44 LYS H . . 7.000 4.682 4.479 4.947 . 0 0 "[ . 1 . 2]" 1
632 1 40 ASP H 1 40 ASP HA . . 3.000 2.874 2.856 2.890 . 0 0 "[ . 1 . 2]" 1
633 1 40 ASP H 1 40 ASP HB2 . . 4.010 2.522 2.102 3.635 . 0 0 "[ . 1 . 2]" 1
634 1 40 ASP H 1 42 GLU H . . 3.410 3.493 3.402 3.553 0.143 4 0 "[ . 1 . 2]" 1
635 1 40 ASP H 1 43 GLY H . . 3.410 2.950 2.881 3.013 . 0 0 "[ . 1 . 2]" 1
636 1 40 ASP H 1 43 GLY HA3 . . 4.470 4.727 4.637 4.822 0.352 11 0 "[ . 1 . 2]" 1
637 1 40 ASP H 1 44 LYS HA . . 4.290 4.300 4.200 4.412 0.122 18 0 "[ . 1 . 2]" 1
638 1 40 ASP H 1 45 ARG HA . . 3.640 3.880 3.784 3.951 0.311 10 0 "[ . 1 . 2]" 1
639 1 40 ASP HA 1 41 SER H . . 2.720 2.944 2.881 3.002 0.282 12 0 "[ . 1 . 2]" 1
640 1 40 ASP HA 1 43 GLY H . . 4.560 4.468 4.403 4.563 0.003 12 0 "[ . 1 . 2]" 1
641 1 40 ASP HB2 1 41 SER H . . 3.500 3.082 1.842 3.536 0.036 18 0 "[ . 1 . 2]" 1
642 1 40 ASP HB2 1 42 GLU H . . 3.410 3.422 3.219 3.594 0.184 18 0 "[ . 1 . 2]" 1
643 1 40 ASP HB3 1 41 SER H . . 3.320 2.359 1.938 3.446 0.126 3 0 "[ . 1 . 2]" 1
644 1 40 ASP HB3 1 42 GLU H . . 6.030 2.638 2.080 4.052 . 0 0 "[ . 1 . 2]" 1
645 1 40 ASP HB3 1 43 GLY H . . 6.310 3.678 3.233 4.690 . 0 0 "[ . 1 . 2]" 1
646 1 41 SER H 1 42 GLU H . . 3.270 2.681 2.630 2.738 . 0 0 "[ . 1 . 2]" 1
647 1 41 SER H 1 43 GLY H . . 3.870 4.084 4.036 4.134 0.264 3 0 "[ . 1 . 2]" 1
648 1 41 SER HA 1 42 GLU H . . 3.780 3.203 3.155 3.251 . 0 0 "[ . 1 . 2]" 1
649 1 41 SER HA 1 43 GLY H . . 3.960 3.897 3.865 3.952 . 0 0 "[ . 1 . 2]" 1
650 1 42 GLU H 1 42 GLU HA . . 3.140 2.911 2.902 2.917 . 0 0 "[ . 1 . 2]" 1
651 1 42 GLU H 1 42 GLU HB2 . . 3.270 2.636 2.564 2.698 . 0 0 "[ . 1 . 2]" 1
652 1 42 GLU H 1 42 GLU HB3 . . 4.060 3.751 3.703 3.783 . 0 0 "[ . 1 . 2]" 1
653 1 42 GLU H 1 43 GLY HA2 . . 3.760 4.106 4.046 4.179 0.419 4 0 "[ . 1 . 2]" 1
654 1 42 GLU H 1 44 LYS H . . 2.860 3.011 2.952 3.079 0.219 12 0 "[ . 1 . 2]" 1
655 1 42 GLU H 1 44 LYS HG2 . . 6.680 5.268 3.390 5.501 . 0 0 "[ . 1 . 2]" 1
656 1 42 GLU HA 1 43 GLY H . . 3.180 3.347 3.309 3.362 0.182 19 0 "[ . 1 . 2]" 1
657 1 42 GLU HA 1 44 LYS H . . 4.750 4.405 4.347 4.470 . 0 0 "[ . 1 . 2]" 1
658 1 42 GLU HB2 1 43 GLY H . . 3.500 3.574 3.539 3.656 0.156 12 0 "[ . 1 . 2]" 1
659 1 42 GLU HB2 1 44 LYS HG2 . . 4.060 3.723 1.921 4.009 . 0 0 "[ . 1 . 2]" 1
660 1 42 GLU HB2 1 44 LYS HG3 . . 3.180 2.567 2.297 3.074 . 0 0 "[ . 1 . 2]" 1
661 1 42 GLU HB3 1 43 GLY H . . 4.240 4.263 4.227 4.300 0.060 12 0 "[ . 1 . 2]" 1
662 1 42 GLU HB3 1 44 LYS HG2 . . 6.400 4.107 3.171 4.539 . 0 0 "[ . 1 . 2]" 1
663 1 42 GLU QG 1 44 LYS H . . 7.230 4.738 4.614 4.917 . 0 0 "[ . 1 . 2]" 1
664 1 43 GLY H 1 43 GLY HA2 . . 2.950 2.349 2.329 2.379 . 0 0 "[ . 1 . 2]" 1
665 1 43 GLY H 1 43 GLY HA3 . . 2.950 2.939 2.929 2.950 . 0 0 "[ . 1 . 2]" 1
666 1 43 GLY H 1 44 LYS H . . 2.770 2.490 2.406 2.636 . 0 0 "[ . 1 . 2]" 1
667 1 43 GLY H 1 44 LYS HG2 . . 7.000 5.090 3.985 5.298 . 0 0 "[ . 1 . 2]" 1
668 1 43 GLY HA2 1 44 LYS H . . 3.640 3.460 3.412 3.511 . 0 0 "[ . 1 . 2]" 1
669 1 43 GLY HA3 1 44 LYS H . . 3.040 3.232 3.155 3.292 0.252 4 0 "[ . 1 . 2]" 1
670 1 44 LYS H 1 44 LYS HA . . 3.140 2.747 2.693 2.772 . 0 0 "[ . 1 . 2]" 1
671 1 44 LYS H 1 44 LYS HG2 . . 5.160 2.707 2.193 2.901 . 0 0 "[ . 1 . 2]" 1
672 1 44 LYS H 1 44 LYS HG3 . . 3.870 2.651 1.952 2.753 . 0 0 "[ . 1 . 2]" 1
673 1 44 LYS HA 1 44 LYS HG2 . . 4.290 2.296 2.141 3.821 . 0 0 "[ . 1 . 2]" 1
674 1 44 LYS HA 1 44 LYS HG3 . . 4.330 3.460 3.374 3.562 . 0 0 "[ . 1 . 2]" 1
675 1 44 LYS HA 1 45 ARG H . . 2.400 2.180 2.176 2.188 . 0 0 "[ . 1 . 2]" 1
676 1 44 LYS HA 1 45 ARG HA . . 4.150 4.332 4.325 4.342 0.192 5 0 "[ . 1 . 2]" 1
677 1 44 LYS HA 1 45 ARG HB3 . . 5.900 5.634 5.535 5.705 . 0 0 "[ . 1 . 2]" 1
678 1 44 LYS HA 1 45 ARG HG2 . . 5.760 5.084 3.690 5.781 0.021 5 0 "[ . 1 . 2]" 1
679 1 44 LYS HG3 1 45 ARG H . . 5.570 5.506 4.853 5.618 0.048 1 0 "[ . 1 . 2]" 1
680 1 45 ARG H 1 45 ARG HB2 . . 3.320 2.687 2.132 3.007 . 0 0 "[ . 1 . 2]" 1
681 1 45 ARG H 1 45 ARG HB3 . . 4.060 3.570 3.387 3.604 . 0 0 "[ . 1 . 2]" 1
682 1 45 ARG H 1 45 ARG HG3 . . 4.150 2.123 1.781 3.357 . 0 0 "[ . 1 . 2]" 1
683 1 45 ARG HA 1 46 GLY H . . 2.580 2.238 2.230 2.247 . 0 0 "[ . 1 . 2]" 1
684 1 45 ARG HB2 1 45 ARG HD2 . . 3.550 2.587 1.995 3.554 0.004 4 0 "[ . 1 . 2]" 1
685 1 45 ARG HB2 1 45 ARG HD3 . . 4.190 3.072 2.058 3.991 . 0 0 "[ . 1 . 2]" 1
686 1 45 ARG HB2 1 46 GLY H . . 4.790 4.097 3.872 4.522 . 0 0 "[ . 1 . 2]" 1
687 1 45 ARG HB3 1 46 GLY H . . 3.180 3.472 3.355 3.613 0.433 17 0 "[ . 1 . 2]" 1
688 1 45 ARG HG2 1 46 GLY H . . 7.000 4.952 3.686 5.352 . 0 0 "[ . 1 . 2]" 1
689 1 45 ARG HG3 1 46 GLY H . . 5.760 5.013 4.736 5.410 . 0 0 "[ . 1 . 2]" 1
690 1 46 GLY H 1 47 MET H . . 4.210 4.311 4.274 4.355 0.145 4 0 "[ . 1 . 2]" 1
691 1 46 GLY QA 1 47 MET H . . 4.100 2.310 2.293 2.329 . 0 0 "[ . 1 . 2]" 1
692 1 47 MET H 1 47 MET HB2 . . 4.010 2.379 2.244 2.541 . 0 0 "[ . 1 . 2]" 1
693 1 47 MET H 1 47 MET HB3 . . 3.870 3.157 2.655 3.626 . 0 0 "[ . 1 . 2]" 1
694 1 47 MET H 1 47 MET ME . . 5.450 4.254 3.983 4.545 . 0 0 "[ . 1 . 2]" 1
695 1 47 MET HA 1 47 MET ME . . 6.230 2.500 2.036 3.851 . 0 0 "[ . 1 . 2]" 1
696 1 47 MET HA 1 48 ILE H . . 2.450 2.216 2.203 2.254 . 0 0 "[ . 1 . 2]" 1
697 1 47 MET HB2 1 48 ILE H . . 4.420 4.431 4.270 4.562 0.142 15 0 "[ . 1 . 2]" 1
698 1 47 MET HB3 1 48 ILE H . . 6.080 3.764 3.402 4.148 . 0 0 "[ . 1 . 2]" 1
699 1 47 MET HB3 1 48 ILE HA . . 4.520 4.503 4.280 4.652 0.132 17 0 "[ . 1 . 2]" 1
700 1 47 MET ME 1 48 ILE H . . 8.030 3.587 3.041 5.357 . 0 0 "[ . 1 . 2]" 1
701 1 48 ILE H 1 49 PRO HD2 . . 7.000 5.006 4.966 5.044 . 0 0 "[ . 1 . 2]" 1
702 1 48 ILE H 1 49 PRO HD3 . . 7.000 4.635 4.454 4.730 . 0 0 "[ . 1 . 2]" 1
703 1 48 ILE HA 1 49 PRO HB2 . . 5.480 5.516 5.456 5.587 0.107 4 0 "[ . 1 . 2]" 1
704 1 48 ILE HA 1 49 PRO HD2 . . 5.070 2.577 2.399 2.757 . 0 0 "[ . 1 . 2]" 1
705 1 48 ILE HA 1 49 PRO HD3 . . 5.210 1.945 1.908 2.017 . 0 0 "[ . 1 . 2]" 1
706 1 48 ILE HA 1 49 PRO HG3 . . 7.000 4.213 4.176 4.277 . 0 0 "[ . 1 . 2]" 1
707 1 49 PRO HA 1 50 VAL H . . 2.720 2.160 2.149 2.174 . 0 0 "[ . 1 . 2]" 1
708 1 49 PRO HA 1 50 VAL HA . . 4.840 4.266 4.255 4.282 . 0 0 "[ . 1 . 2]" 1
709 1 49 PRO HA 1 50 VAL HB . . 4.840 4.397 4.278 4.582 . 0 0 "[ . 1 . 2]" 1
710 1 49 PRO HA 1 52 TYR H . . 4.650 4.062 3.994 4.149 . 0 0 "[ . 1 . 2]" 1
711 1 49 PRO HB2 1 52 TYR HD1 . . 7.000 2.612 1.988 3.039 . 0 0 "[ . 1 . 2]" 1
712 1 49 PRO HB3 1 52 TYR HB3 . . 7.000 4.875 4.732 5.140 . 0 0 "[ . 1 . 2]" 1
713 1 49 PRO HB3 1 52 TYR HD1 . . 5.390 3.825 3.300 4.301 . 0 0 "[ . 1 . 2]" 1
714 1 49 PRO HB3 1 52 TYR HE1 . . 5.570 4.957 4.122 5.576 0.006 15 0 "[ . 1 . 2]" 1
715 1 49 PRO HD2 1 52 TYR HB2 . . 7.000 3.520 3.209 3.818 . 0 0 "[ . 1 . 2]" 1
716 1 49 PRO HD2 1 52 TYR HD2 . . 7.000 5.525 5.102 6.081 . 0 0 "[ . 1 . 2]" 1
717 1 49 PRO HD2 1 53 VAL MG1 . . 8.030 2.514 1.996 2.976 . 0 0 "[ . 1 . 2]" 1
718 1 49 PRO HD3 1 52 TYR HB3 . . 6.450 5.244 5.134 5.339 . 0 0 "[ . 1 . 2]" 1
719 1 49 PRO HG2 1 52 TYR HB2 . . 7.000 1.587 1.443 1.715 . 0 0 "[ . 1 . 2]" 1
720 1 49 PRO HG2 1 52 TYR HD1 . . 7.000 4.049 3.434 4.464 . 0 0 "[ . 1 . 2]" 1
721 1 49 PRO HG2 1 52 TYR HD2 . . 6.400 3.529 3.176 3.996 . 0 0 "[ . 1 . 2]" 1
722 1 49 PRO HG2 1 52 TYR HE1 . . 6.540 5.789 5.049 6.309 . 0 0 "[ . 1 . 2]" 1
723 1 49 PRO HG3 1 52 TYR H . . 5.390 4.637 4.539 4.743 . 0 0 "[ . 1 . 2]" 1
724 1 49 PRO HG3 1 52 TYR HB2 . . 5.990 3.031 2.947 3.221 . 0 0 "[ . 1 . 2]" 1
725 1 49 PRO HG3 1 52 TYR HB3 . . 6.130 3.899 3.799 4.115 . 0 0 "[ . 1 . 2]" 1
726 1 49 PRO HG3 1 52 TYR HD1 . . 6.030 4.663 4.092 5.100 . 0 0 "[ . 1 . 2]" 1
727 1 49 PRO HG3 1 52 TYR HD2 . . 4.750 4.079 3.690 4.489 . 0 0 "[ . 1 . 2]" 1
728 1 49 PRO HG3 1 52 TYR HE1 . . 6.720 5.767 4.923 6.388 . 0 0 "[ . 1 . 2]" 1
729 1 50 VAL H 1 50 VAL HB . . 3.320 2.252 2.139 2.435 . 0 0 "[ . 1 . 2]" 1
730 1 50 VAL H 1 50 VAL MG1 . . 4.620 3.656 3.582 3.713 . 0 0 "[ . 1 . 2]" 1
731 1 50 VAL H 1 51 PRO QD . . 6.500 1.745 1.669 1.798 . 0 0 "[ . 1 . 2]" 1
732 1 50 VAL HA 1 52 TYR H . . 3.850 3.993 3.793 4.142 0.292 15 0 "[ . 1 . 2]" 1
733 1 50 VAL HA 1 53 VAL H . . 3.500 3.292 3.119 3.576 0.076 9 0 "[ . 1 . 2]" 1
734 1 50 VAL HA 1 53 VAL MG1 . . 4.580 3.693 3.530 3.838 . 0 0 "[ . 1 . 2]" 1
735 1 50 VAL HA 1 53 VAL MG2 . . 8.030 1.819 1.692 1.939 . 0 0 "[ . 1 . 2]" 1
736 1 50 VAL MG2 1 53 VAL MG2 . . 9.060 3.099 2.855 3.321 . 0 0 "[ . 1 . 2]" 1
737 1 51 PRO HA 1 52 TYR H . . 4.060 3.429 3.388 3.461 . 0 0 "[ . 1 . 2]" 1
738 1 51 PRO HA 1 53 VAL H . . 4.060 3.765 3.573 4.148 0.088 2 0 "[ . 1 . 2]" 1
739 1 51 PRO HB2 1 52 TYR H . . 4.560 3.579 3.462 3.715 . 0 0 "[ . 1 . 2]" 1
740 1 51 PRO HB2 1 52 TYR HD1 . . 5.710 2.545 2.332 2.788 . 0 0 "[ . 1 . 2]" 1
741 1 51 PRO HB2 1 52 TYR HE1 . . 3.550 3.445 3.178 3.587 0.037 18 0 "[ . 1 . 2]" 1
742 1 51 PRO HB3 1 52 TYR H . . 5.210 4.376 4.311 4.450 . 0 0 "[ . 1 . 2]" 1
743 1 51 PRO HB3 1 52 TYR HD1 . . 6.400 4.048 3.903 4.173 . 0 0 "[ . 1 . 2]" 1
744 1 51 PRO HB3 1 52 TYR HE1 . . 5.340 4.964 4.634 5.179 . 0 0 "[ . 1 . 2]" 1
745 1 51 PRO QD 1 52 TYR H . . 7.880 2.283 2.244 2.350 . 0 0 "[ . 1 . 2]" 1
746 1 52 TYR H 1 52 TYR HA . . 2.950 2.923 2.918 2.927 . 0 0 "[ . 1 . 2]" 1
747 1 52 TYR H 1 52 TYR HB2 . . 3.270 2.115 2.073 2.163 . 0 0 "[ . 1 . 2]" 1
748 1 52 TYR H 1 52 TYR HB3 . . 3.870 3.423 3.393 3.456 . 0 0 "[ . 1 . 2]" 1
749 1 52 TYR H 1 53 VAL MG1 . . 4.760 3.352 3.084 3.590 . 0 0 "[ . 1 . 2]" 1
750 1 52 TYR H 1 53 VAL MG2 . . 5.910 3.742 3.589 3.932 . 0 0 "[ . 1 . 2]" 1
751 1 52 TYR HA 1 53 VAL H . . 3.250 3.343 3.200 3.505 0.255 2 0 "[ . 1 . 2]" 1
752 1 52 TYR HA 1 53 VAL MG1 . . 6.920 4.048 3.861 4.168 . 0 0 "[ . 1 . 2]" 1
753 1 52 TYR HB2 1 53 VAL MG1 . . 6.830 2.798 2.627 2.985 . 0 0 "[ . 1 . 2]" 1
754 1 52 TYR HB3 1 53 VAL MG1 . . 7.800 2.968 2.825 3.164 . 0 0 "[ . 1 . 2]" 1
755 1 52 TYR HB3 1 53 VAL MG2 . . 8.030 5.086 4.971 5.267 . 0 0 "[ . 1 . 2]" 1
756 1 52 TYR HD1 1 53 VAL H . . 6.540 4.491 4.374 4.661 . 0 0 "[ . 1 . 2]" 1
757 1 53 VAL H 1 53 VAL HB . . 4.290 3.839 3.746 3.946 . 0 0 "[ . 1 . 2]" 1
758 1 53 VAL H 1 53 VAL MG1 . . 4.760 2.686 2.430 2.936 . 0 0 "[ . 1 . 2]" 1
759 1 53 VAL H 1 54 GLU H . . 4.470 4.437 4.344 4.509 0.039 2 0 "[ . 1 . 2]" 1
760 1 53 VAL HA 1 54 GLU H . . 2.770 2.385 2.298 2.459 . 0 0 "[ . 1 . 2]" 1
761 1 53 VAL HB 1 54 GLU H . . 3.730 2.763 2.582 2.985 . 0 0 "[ . 1 . 2]" 1
762 1 53 VAL MG1 1 54 GLU H . . 6.100 4.048 3.952 4.144 . 0 0 "[ . 1 . 2]" 1
763 1 53 VAL MG2 1 54 GLU H . . 7.110 3.344 3.063 3.546 . 0 0 "[ . 1 . 2]" 1
764 1 54 GLU H 1 54 GLU HA . . 3.140 2.909 2.897 2.919 . 0 0 "[ . 1 . 2]" 1
765 1 54 GLU HA 1 55 LYS H . . 2.490 2.409 2.275 2.548 0.058 20 0 "[ . 1 . 2]" 1
766 1 55 LYS H 1 55 LYS HA . . 3.040 2.898 2.889 2.911 . 0 0 "[ . 1 . 2]" 1
767 1 55 LYS HA 1 56 TYR H . . 2.400 2.185 2.176 2.205 . 0 0 "[ . 1 . 2]" 1
768 1 55 LYS HA 1 56 TYR HB2 . . 4.840 4.274 4.186 4.402 . 0 0 "[ . 1 . 2]" 1
769 1 55 LYS HA 1 56 TYR HB3 . . 4.700 4.662 4.489 4.770 0.070 9 0 "[ . 1 . 2]" 1
770 1 56 TYR H 1 56 TYR HB2 . . 3.640 2.521 2.203 3.186 . 0 0 "[ . 1 . 2]" 1
771 1 56 TYR H 1 56 TYR HB3 . . 3.830 2.552 2.327 2.927 . 0 0 "[ . 1 . 2]" 1
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