NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
426458 |
2h80   |
7151 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2h80
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 1064
_Distance_constraint_stats_list.Viol_count 1473
_Distance_constraint_stats_list.Viol_total 4990.844
_Distance_constraint_stats_list.Viol_max 1.108
_Distance_constraint_stats_list.Viol_rms 0.0591
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0117
_Distance_constraint_stats_list.Viol_average_violations_only 0.1694
_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 11 LEU 1.058 0.208 8 0 "[ . 1 . 2]"
1 12 VAL 0.078 0.037 2 0 "[ . 1 . 2]"
1 13 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 ARG 1.429 0.207 3 0 "[ . 1 . 2]"
1 15 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 SER 1.968 0.342 5 0 "[ . 1 . 2]"
1 17 GLN 2.306 0.340 1 0 "[ . 1 . 2]"
1 18 GLU 4.986 0.536 12 1 "[ . 1 + . 2]"
1 19 ILE 4.388 0.342 5 0 "[ . 1 . 2]"
1 20 GLU 7.164 0.536 12 1 "[ . 1 + . 2]"
1 21 ALA 8.787 0.684 18 1 "[ . 1 . + 2]"
1 22 LYS 1.393 0.384 13 0 "[ . 1 . 2]"
1 23 GLU 20.354 0.562 9 5 "[ . *-+1 * * 2]"
1 24 ALA 28.531 0.562 9 5 "[ . *-+1 * * 2]"
1 25 CYS 5.904 0.414 12 0 "[ . 1 . 2]"
1 26 ASP 3.182 0.393 19 0 "[ . 1 . 2]"
1 27 TRP 5.257 0.511 7 1 "[ . + 1 . 2]"
1 28 LEU 13.314 0.832 14 6 "[* ** 1*- +. 2]"
1 29 ARG 8.668 0.395 5 0 "[ . 1 . 2]"
1 30 ALA 2.900 0.383 11 0 "[ . 1 . 2]"
1 31 ALA 2.878 0.283 7 0 "[ . 1 . 2]"
1 32 GLY 1.626 0.161 18 0 "[ . 1 . 2]"
1 33 PHE 2.426 0.486 17 0 "[ . 1 . 2]"
1 34 PRO 4.461 0.395 5 0 "[ . 1 . 2]"
1 35 GLN 4.472 0.272 19 0 "[ . 1 . 2]"
1 36 TYR 5.840 0.553 4 1 "[ +. 1 . 2]"
1 37 ALA 16.955 0.511 7 2 "[ . + 1 - . 2]"
1 38 GLN 8.824 0.354 3 0 "[ . 1 . 2]"
1 39 LEU 4.452 0.422 11 0 "[ . 1 . 2]"
1 40 TYR 10.055 0.684 18 1 "[ . 1 . + 2]"
1 41 GLU 4.853 0.667 5 3 "[ + 1 . * -2]"
1 42 ASP 1.306 0.385 14 0 "[ . 1 . 2]"
1 43 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 GLN 3.257 0.422 11 0 "[ . 1 . 2]"
1 45 PHE 7.489 0.276 19 0 "[ . 1 . 2]"
1 46 PRO 8.558 0.407 15 0 "[ . 1 . 2]"
1 47 ILE 14.007 1.108 13 3 "[ - . 1 + * 2]"
1 48 ASN 6.596 0.502 20 1 "[ . 1 . +]"
1 49 ILE 10.681 0.711 10 3 "[ * + - . 2]"
1 50 VAL 9.186 0.761 14 4 "[ * 1 -+. *]"
1 51 ALA 6.432 0.502 20 1 "[ . 1 . +]"
1 52 VAL 15.441 1.090 18 4 "[ * . - 1 * + 2]"
1 53 LYS 23.633 1.090 18 7 "[ * * - ** * + 2]"
1 54 ASN 5.071 0.761 14 2 "[ . 1 +. -]"
1 55 ASP 2.309 0.369 6 0 "[ . 1 . 2]"
1 56 HIS 0.202 0.167 9 0 "[ . 1 . 2]"
1 57 ASP 1.207 0.238 6 0 "[ . 1 . 2]"
1 58 PHE 2.577 0.367 17 0 "[ . 1 . 2]"
1 59 LEU 6.818 0.407 14 0 "[ . 1 . 2]"
1 60 GLU 8.269 0.581 10 2 "[ - + . 2]"
1 61 LYS 2.366 0.338 2 0 "[ . 1 . 2]"
1 62 ASP 4.595 0.581 10 2 "[ - + . 2]"
1 63 LEU 8.211 0.480 7 0 "[ . 1 . 2]"
1 64 VAL 9.454 0.559 3 3 "[ + . * 1 . - 2]"
1 65 GLU 2.440 0.603 5 1 "[ + 1 . 2]"
1 66 PRO 22.135 0.559 3 2 "[ + . 1 . - 2]"
1 67 LEU 8.919 0.584 9 3 "[ *- +1 . 2]"
1 68 CYS 4.492 0.603 5 1 "[ + 1 . 2]"
1 69 ARG 12.725 0.997 16 2 "[ . 1 - .+ 2]"
1 70 ARG 16.017 0.997 16 4 "[ .* 1 * .+ -]"
1 71 LEU 17.115 0.832 14 6 "[* ** *1- +. 2]"
1 72 ASN 1.576 0.365 9 0 "[ . 1 . 2]"
1 73 THR 13.591 0.808 1 4 "[+ ** 1 . -]"
1 74 LEU 14.616 0.808 1 4 "[+ * 1 . * -2]"
1 75 ASN 7.714 1.108 13 3 "[ - . 1 + * 2]"
1 76 LYS 6.742 0.622 5 1 "[ + 1 . 2]"
1 77 CYS 0.358 0.317 16 0 "[ . 1 . 2]"
1 78 ALA 5.185 0.407 15 0 "[ . 1 . 2]"
1 79 SER 0.350 0.183 13 0 "[ . 1 . 2]"
1 80 MET 0.043 0.043 10 0 "[ . 1 . 2]"
1 81 LYS 0.217 0.141 14 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 11 LEU H 1 11 LEU HB2 . . 4.030 3.275 2.636 3.939 . 0 0 "[ . 1 . 2]" 1
2 1 11 LEU H 1 11 LEU QB . . 3.400 2.855 2.575 3.449 0.049 2 0 "[ . 1 . 2]" 1
3 1 11 LEU H 1 11 LEU HB3 . . 4.030 3.230 2.788 4.040 0.010 2 0 "[ . 1 . 2]" 1
4 1 11 LEU H 1 11 LEU HG . . 5.040 4.076 2.511 5.149 0.109 6 0 "[ . 1 . 2]" 1
5 1 11 LEU HA 1 11 LEU QD . . 3.240 2.510 2.037 3.448 0.208 8 0 "[ . 1 . 2]" 1
6 1 11 LEU HA 1 12 VAL H . . 3.110 2.448 2.081 3.147 0.037 2 0 "[ . 1 . 2]" 1
7 1 11 LEU QB 1 11 LEU QD . . 2.790 1.965 1.885 2.094 . 0 0 "[ . 1 . 2]" 1
8 1 11 LEU QB 1 12 VAL H . . 4.200 3.971 3.516 4.082 . 0 0 "[ . 1 . 2]" 1
9 1 11 LEU HB2 1 12 VAL H . . 4.880 4.518 3.960 4.668 . 0 0 "[ . 1 . 2]" 1
10 1 11 LEU HB3 1 12 VAL H . . 4.880 4.430 3.666 4.674 . 0 0 "[ . 1 . 2]" 1
11 1 11 LEU HG 1 12 VAL H . . 5.190 4.588 3.741 5.211 0.021 13 0 "[ . 1 . 2]" 1
12 1 12 VAL H 1 12 VAL HB . . 3.860 3.542 3.326 3.717 . 0 0 "[ . 1 . 2]" 1
13 1 12 VAL H 1 12 VAL QG . . 3.550 2.528 2.309 2.721 . 0 0 "[ . 1 . 2]" 1
14 1 12 VAL HA 1 12 VAL MG1 . . 3.530 2.896 2.313 3.278 . 0 0 "[ . 1 . 2]" 1
15 1 12 VAL HA 1 12 VAL QG . . 2.980 2.240 2.111 2.344 . 0 0 "[ . 1 . 2]" 1
16 1 12 VAL HA 1 12 VAL MG2 . . 3.530 2.397 2.343 2.444 . 0 0 "[ . 1 . 2]" 1
17 1 12 VAL HA 1 13 PRO HD2 . . 3.150 2.142 2.092 2.233 . 0 0 "[ . 1 . 2]" 1
18 1 12 VAL HA 1 13 PRO QD . . 2.710 2.084 2.045 2.141 . 0 0 "[ . 1 . 2]" 1
19 1 12 VAL HA 1 13 PRO HD3 . . 3.150 2.859 2.747 2.944 . 0 0 "[ . 1 . 2]" 1
20 1 12 VAL HA 1 13 PRO QG . . 4.520 3.988 3.942 4.064 . 0 0 "[ . 1 . 2]" 1
21 1 12 VAL HB 1 13 PRO QD . . 4.810 4.288 4.117 4.510 . 0 0 "[ . 1 . 2]" 1
22 1 12 VAL QG 1 13 PRO QD . . 3.980 3.292 3.196 3.375 . 0 0 "[ . 1 . 2]" 1
23 1 13 PRO QB 1 14 ARG H . . 3.960 3.138 2.314 3.862 . 0 0 "[ . 1 . 2]" 1
24 1 14 ARG H 1 14 ARG HB2 . . 4.060 2.829 2.330 3.971 . 0 0 "[ . 1 . 2]" 1
25 1 14 ARG H 1 14 ARG QB . . 3.530 2.556 2.249 3.320 . 0 0 "[ . 1 . 2]" 1
26 1 14 ARG H 1 14 ARG HB3 . . 4.060 3.114 2.493 3.927 . 0 0 "[ . 1 . 2]" 1
27 1 14 ARG H 1 14 ARG QG . . 4.650 3.732 2.195 4.408 . 0 0 "[ . 1 . 2]" 1
28 1 14 ARG HA 1 14 ARG QD . . 3.740 3.101 2.105 3.947 0.207 3 0 "[ . 1 . 2]" 1
29 1 14 ARG HA 1 15 GLY QA . . 4.560 4.151 3.924 4.456 . 0 0 "[ . 1 . 2]" 1
30 1 14 ARG QB 1 15 GLY H . . 4.350 2.890 2.176 3.818 . 0 0 "[ . 1 . 2]" 1
31 1 16 SER HA 1 19 ILE HB . . 4.430 3.535 2.435 4.541 0.111 6 0 "[ . 1 . 2]" 1
32 1 16 SER HA 1 19 ILE MD . . 3.780 2.536 2.056 3.780 0.000 16 0 "[ . 1 . 2]" 1
33 1 16 SER QB 1 19 ILE HB . . 4.300 2.744 2.177 3.986 . 0 0 "[ . 1 . 2]" 1
34 1 16 SER QB 1 19 ILE MG . . 4.460 3.737 3.202 4.738 0.278 2 0 "[ . 1 . 2]" 1
35 1 16 SER HB2 1 19 ILE HB . . 4.880 3.632 2.199 4.699 . 0 0 "[ . 1 . 2]" 1
36 1 16 SER HB2 1 19 ILE MG . . 5.170 4.567 3.321 5.512 0.342 5 0 "[ . 1 . 2]" 1
37 1 16 SER HB3 1 19 ILE HB . . 4.880 3.302 2.226 4.531 . 0 0 "[ . 1 . 2]" 1
38 1 16 SER HB3 1 19 ILE MG . . 5.170 4.258 3.310 5.218 0.048 2 0 "[ . 1 . 2]" 1
39 1 17 GLN H 1 18 GLU H . . 4.960 2.926 2.160 3.215 . 0 0 "[ . 1 . 2]" 1
40 1 17 GLN HA 1 17 GLN QE . . 4.730 4.439 2.912 5.070 0.340 1 0 "[ . 1 . 2]" 1
41 1 17 GLN HA 1 17 GLN HG2 . . 4.100 3.262 2.415 4.160 0.060 1 0 "[ . 1 . 2]" 1
42 1 17 GLN HA 1 17 GLN QG . . 3.530 2.694 2.326 3.453 . 0 0 "[ . 1 . 2]" 1
43 1 17 GLN HA 1 17 GLN HG3 . . 4.100 3.042 2.356 3.880 . 0 0 "[ . 1 . 2]" 1
44 1 17 GLN HA 1 20 GLU H . . 4.160 3.752 3.170 4.320 0.160 13 0 "[ . 1 . 2]" 1
45 1 17 GLN HA 1 20 GLU QB . . 5.230 3.169 2.171 4.580 . 0 0 "[ . 1 . 2]" 1
46 1 18 GLU H 1 18 GLU QB . . 3.280 2.497 2.356 2.724 . 0 0 "[ . 1 . 2]" 1
47 1 18 GLU H 1 18 GLU HG2 . . 3.870 2.963 2.106 3.950 0.080 4 0 "[ . 1 . 2]" 1
48 1 18 GLU H 1 18 GLU HG3 . . 3.870 3.049 2.324 3.932 0.062 9 0 "[ . 1 . 2]" 1
49 1 18 GLU H 1 19 ILE H . . 3.890 2.585 2.213 2.714 . 0 0 "[ . 1 . 2]" 1
50 1 18 GLU HA 1 18 GLU QG . . 3.500 2.800 2.288 3.523 0.023 3 0 "[ . 1 . 2]" 1
51 1 18 GLU HA 1 20 GLU H . . 4.280 4.488 4.049 4.816 0.536 12 1 "[ . 1 + . 2]" 1
52 1 18 GLU HA 1 21 ALA H . . 4.640 3.577 3.436 3.930 . 0 0 "[ . 1 . 2]" 1
53 1 18 GLU HA 1 21 ALA MB . . 3.650 2.953 2.334 3.775 0.125 9 0 "[ . 1 . 2]" 1
54 1 18 GLU QB 1 19 ILE H . . 3.800 3.078 2.567 3.780 . 0 0 "[ . 1 . 2]" 1
55 1 18 GLU QB 1 21 ALA H . . 5.040 4.944 4.555 5.088 0.048 12 0 "[ . 1 . 2]" 1
56 1 18 GLU QB 1 21 ALA MB . . 4.920 4.109 3.750 4.505 . 0 0 "[ . 1 . 2]" 1
57 1 18 GLU QG 1 19 ILE H . . 4.440 3.759 2.367 4.463 0.023 4 0 "[ . 1 . 2]" 1
58 1 19 ILE H 1 19 ILE HB . . 3.390 2.547 2.487 2.624 . 0 0 "[ . 1 . 2]" 1
59 1 19 ILE H 1 19 ILE MD . . 3.970 2.442 1.752 3.694 . 0 0 "[ . 1 . 2]" 1
60 1 19 ILE H 1 19 ILE HG12 . . 4.000 3.781 2.177 4.230 0.230 18 0 "[ . 1 . 2]" 1
61 1 19 ILE H 1 19 ILE QG . . 3.380 2.820 2.014 3.413 0.033 18 0 "[ . 1 . 2]" 1
62 1 19 ILE H 1 19 ILE HG13 . . 4.000 2.994 2.032 3.664 . 0 0 "[ . 1 . 2]" 1
63 1 19 ILE H 1 19 ILE MG . . 3.910 3.824 3.803 3.860 . 0 0 "[ . 1 . 2]" 1
64 1 19 ILE H 1 20 GLU H . . 3.430 2.559 2.237 2.852 . 0 0 "[ . 1 . 2]" 1
65 1 19 ILE H 1 20 GLU QB . . 4.650 4.433 4.046 4.893 0.243 12 0 "[ . 1 . 2]" 1
66 1 19 ILE HA 1 19 ILE MD . . 4.070 3.481 2.203 3.916 . 0 0 "[ . 1 . 2]" 1
67 1 19 ILE HA 1 19 ILE HG12 . . 3.920 3.298 2.532 3.743 . 0 0 "[ . 1 . 2]" 1
68 1 19 ILE HA 1 19 ILE HG13 . . 3.920 2.646 2.324 3.788 . 0 0 "[ . 1 . 2]" 1
69 1 19 ILE HA 1 19 ILE MG . . 3.300 2.406 2.349 2.469 . 0 0 "[ . 1 . 2]" 1
70 1 19 ILE HA 1 22 LYS H . . 3.720 3.301 2.965 3.758 0.038 12 0 "[ . 1 . 2]" 1
71 1 19 ILE HA 1 22 LYS QB . . 3.520 2.632 2.119 3.491 . 0 0 "[ . 1 . 2]" 1
72 1 19 ILE HA 1 23 GLU H . . 5.010 3.954 3.534 4.709 . 0 0 "[ . 1 . 2]" 1
73 1 19 ILE HB 1 19 ILE MD . . 3.230 2.409 2.269 3.299 0.069 16 0 "[ . 1 . 2]" 1
74 1 19 ILE HB 1 20 GLU H . . 3.860 2.806 2.398 3.079 . 0 0 "[ . 1 . 2]" 1
75 1 19 ILE MD 1 20 GLU H . . 4.630 4.140 3.758 4.804 0.174 4 0 "[ . 1 . 2]" 1
76 1 19 ILE QG 1 19 ILE MG . . 2.990 2.144 2.028 2.390 . 0 0 "[ . 1 . 2]" 1
77 1 19 ILE QG 1 20 GLU H . . 4.820 4.395 3.967 4.609 . 0 0 "[ . 1 . 2]" 1
78 1 19 ILE HG12 1 19 ILE MG . . 3.540 2.271 2.131 3.224 . 0 0 "[ . 1 . 2]" 1
79 1 19 ILE HG13 1 19 ILE MG . . 3.540 2.787 2.284 3.256 . 0 0 "[ . 1 . 2]" 1
80 1 19 ILE MG 1 20 GLU H . . 3.890 3.581 3.239 3.834 . 0 0 "[ . 1 . 2]" 1
81 1 19 ILE MG 1 20 GLU HA . . 3.920 3.812 3.410 4.126 0.206 16 0 "[ . 1 . 2]" 1
82 1 19 ILE MG 1 23 GLU H . . 4.980 3.765 3.409 4.420 . 0 0 "[ . 1 . 2]" 1
83 1 19 ILE MG 1 23 GLU QB . . 4.700 3.888 3.414 4.423 . 0 0 "[ . 1 . 2]" 1
84 1 19 ILE MG 1 23 GLU QG . . 4.420 2.633 2.058 3.585 . 0 0 "[ . 1 . 2]" 1
85 1 20 GLU H 1 20 GLU HB2 . . 3.650 2.562 2.182 3.635 . 0 0 "[ . 1 . 2]" 1
86 1 20 GLU H 1 20 GLU QB . . 3.130 2.358 2.160 2.574 . 0 0 "[ . 1 . 2]" 1
87 1 20 GLU H 1 20 GLU HB3 . . 3.650 3.422 2.452 3.653 0.003 8 0 "[ . 1 . 2]" 1
88 1 20 GLU H 1 20 GLU HG2 . . 4.140 3.067 2.183 4.299 0.159 3 0 "[ . 1 . 2]" 1
89 1 20 GLU H 1 20 GLU QG . . 3.620 2.649 2.125 3.782 0.162 3 0 "[ . 1 . 2]" 1
90 1 20 GLU H 1 20 GLU HG3 . . 4.140 3.415 2.157 4.196 0.056 3 0 "[ . 1 . 2]" 1
91 1 20 GLU HA 1 20 GLU QG . . 3.610 2.666 2.279 3.374 . 0 0 "[ . 1 . 2]" 1
92 1 20 GLU HA 1 73 THR MG . . 5.050 3.971 3.236 4.588 . 0 0 "[ . 1 . 2]" 1
93 1 20 GLU QB 1 21 ALA H . . 3.550 2.770 2.319 3.690 0.140 9 0 "[ . 1 . 2]" 1
94 1 20 GLU QB 1 21 ALA HA . . 4.830 4.053 3.830 4.656 . 0 0 "[ . 1 . 2]" 1
95 1 20 GLU QB 1 73 THR HB . . 5.340 4.479 3.672 5.177 . 0 0 "[ . 1 . 2]" 1
96 1 20 GLU QB 1 73 THR MG . . 3.560 2.322 1.992 2.806 . 0 0 "[ . 1 . 2]" 1
97 1 20 GLU HB2 1 21 ALA H . . 4.170 2.931 2.370 4.090 . 0 0 "[ . 1 . 2]" 1
98 1 20 GLU HB2 1 73 THR MG . . 4.230 3.329 2.145 3.842 . 0 0 "[ . 1 . 2]" 1
99 1 20 GLU HB3 1 21 ALA H . . 4.170 3.505 2.998 4.199 0.029 9 0 "[ . 1 . 2]" 1
100 1 20 GLU HB3 1 73 THR MG . . 4.230 2.566 2.017 3.971 . 0 0 "[ . 1 . 2]" 1
101 1 20 GLU QG 1 73 THR MG . . 5.030 3.441 2.164 4.529 . 0 0 "[ . 1 . 2]" 1
102 1 21 ALA H 1 21 ALA MB . . 3.020 2.223 2.179 2.258 . 0 0 "[ . 1 . 2]" 1
103 1 21 ALA H 1 22 LYS H . . 3.290 2.755 2.576 2.906 . 0 0 "[ . 1 . 2]" 1
104 1 21 ALA H 1 74 LEU QD . . 4.320 4.121 3.948 4.321 0.001 3 0 "[ . 1 . 2]" 1
105 1 21 ALA HA 1 23 GLU H . . 5.190 4.722 4.569 4.886 . 0 0 "[ . 1 . 2]" 1
106 1 21 ALA HA 1 24 ALA H . . 4.200 3.554 3.323 3.764 . 0 0 "[ . 1 . 2]" 1
107 1 21 ALA HA 1 24 ALA MB . . 3.570 2.644 2.342 2.913 . 0 0 "[ . 1 . 2]" 1
108 1 21 ALA HA 1 73 THR MG . . 4.580 3.232 2.611 4.015 . 0 0 "[ . 1 . 2]" 1
109 1 21 ALA HA 1 74 LEU H . . 5.390 5.238 4.753 5.773 0.383 14 0 "[ . 1 . 2]" 1
110 1 21 ALA HA 1 74 LEU QD . . 3.260 2.094 1.935 2.325 . 0 0 "[ . 1 . 2]" 1
111 1 21 ALA MB 1 22 LYS H . . 3.370 2.546 2.394 2.739 . 0 0 "[ . 1 . 2]" 1
112 1 21 ALA MB 1 25 CYS H . . 4.720 4.710 4.323 5.086 0.366 1 0 "[ . 1 . 2]" 1
113 1 21 ALA MB 1 40 TYR QD . . 5.010 5.179 4.710 5.694 0.684 18 1 "[ . 1 . + 2]" 1
114 1 21 ALA MB 1 40 TYR QE . . 3.910 3.978 3.492 4.443 0.533 18 1 "[ . 1 . + 2]" 1
115 1 21 ALA MB 1 74 LEU QD . . 3.120 2.226 1.993 2.895 . 0 0 "[ . 1 . 2]" 1
116 1 21 ALA MB 1 77 CYS QB . . 5.280 4.495 4.068 5.133 . 0 0 "[ . 1 . 2]" 1
117 1 22 LYS H 1 22 LYS QB . . 3.040 2.291 2.174 2.510 . 0 0 "[ . 1 . 2]" 1
118 1 22 LYS H 1 23 GLU H . . 3.580 2.826 2.603 2.972 . 0 0 "[ . 1 . 2]" 1
119 1 22 LYS HA 1 25 CYS H . . 4.370 3.828 3.590 4.135 . 0 0 "[ . 1 . 2]" 1
120 1 22 LYS HA 1 25 CYS QB . . 3.940 3.287 2.793 4.324 0.384 13 0 "[ . 1 . 2]" 1
121 1 22 LYS HA 1 26 ASP H . . 4.250 4.029 3.689 4.487 0.237 1 0 "[ . 1 . 2]" 1
122 1 22 LYS QB 1 23 GLU H . . 3.290 2.414 2.288 2.775 . 0 0 "[ . 1 . 2]" 1
123 1 23 GLU H 1 23 GLU QB . . 3.120 2.396 2.293 2.641 . 0 0 "[ . 1 . 2]" 1
124 1 23 GLU H 1 23 GLU HG2 . . 3.920 2.866 2.337 3.717 . 0 0 "[ . 1 . 2]" 1
125 1 23 GLU H 1 23 GLU QG . . 3.370 2.466 2.285 2.642 . 0 0 "[ . 1 . 2]" 1
126 1 23 GLU H 1 23 GLU HG3 . . 3.920 3.276 2.432 3.838 . 0 0 "[ . 1 . 2]" 1
127 1 23 GLU H 1 24 ALA H . . 3.460 2.874 2.800 2.945 . 0 0 "[ . 1 . 2]" 1
128 1 23 GLU H 1 24 ALA HA . . 5.050 5.475 5.402 5.520 0.470 8 0 "[ . 1 . 2]" 1
129 1 23 GLU H 1 24 ALA MB . . 4.000 4.475 4.420 4.562 0.562 9 5 "[ . *-+1 * * 2]" 1
130 1 23 GLU H 1 25 CYS H . . 4.650 4.637 4.432 4.909 0.259 1 0 "[ . 1 . 2]" 1
131 1 23 GLU HA 1 23 GLU HG2 . . 4.050 2.755 2.317 3.852 . 0 0 "[ . 1 . 2]" 1
132 1 23 GLU HA 1 23 GLU QG . . 3.300 2.649 2.245 3.378 0.078 20 0 "[ . 1 . 2]" 1
133 1 23 GLU HA 1 23 GLU HG3 . . 4.050 3.504 3.008 3.753 . 0 0 "[ . 1 . 2]" 1
134 1 23 GLU HA 1 26 ASP H . . 3.970 3.685 3.455 3.935 . 0 0 "[ . 1 . 2]" 1
135 1 23 GLU HA 1 26 ASP HB2 . . 4.050 3.694 2.615 4.195 0.145 17 0 "[ . 1 . 2]" 1
136 1 23 GLU HA 1 26 ASP QB . . 3.490 2.690 2.323 2.906 . 0 0 "[ . 1 . 2]" 1
137 1 23 GLU HA 1 26 ASP HB3 . . 4.050 3.049 2.361 4.344 0.294 13 0 "[ . 1 . 2]" 1
138 1 23 GLU HA 1 27 TRP H . . 4.590 3.642 3.425 3.852 . 0 0 "[ . 1 . 2]" 1
139 1 23 GLU QB 1 24 ALA H . . 3.510 2.724 2.467 3.703 0.193 20 0 "[ . 1 . 2]" 1
140 1 23 GLU QG 1 24 ALA H . . 4.590 4.230 2.527 4.409 . 0 0 "[ . 1 . 2]" 1
141 1 24 ALA H 1 24 ALA MB . . 3.130 2.207 2.166 2.248 . 0 0 "[ . 1 . 2]" 1
142 1 24 ALA H 1 25 CYS H . . 3.710 2.937 2.704 3.068 . 0 0 "[ . 1 . 2]" 1
143 1 24 ALA H 1 26 ASP H . . 4.890 4.380 4.182 4.582 . 0 0 "[ . 1 . 2]" 1
144 1 24 ALA H 1 70 ARG HB3 . . 4.950 5.017 4.708 5.250 0.300 5 0 "[ . 1 . 2]" 1
145 1 24 ALA H 1 70 ARG HG3 . . 5.500 5.335 5.151 5.659 0.159 12 0 "[ . 1 . 2]" 1
146 1 24 ALA H 1 73 THR MG . . 5.310 4.383 3.466 5.368 0.058 11 0 "[ . 1 . 2]" 1
147 1 24 ALA H 1 74 LEU QD . . 5.180 3.956 3.707 4.191 . 0 0 "[ . 1 . 2]" 1
148 1 24 ALA HA 1 27 TRP H . . 4.420 3.784 3.555 4.099 . 0 0 "[ . 1 . 2]" 1
149 1 24 ALA HA 1 27 TRP HB2 . . 4.500 4.001 3.696 4.345 . 0 0 "[ . 1 . 2]" 1
150 1 24 ALA HA 1 27 TRP HB3 . . 4.400 2.970 2.627 3.259 . 0 0 "[ . 1 . 2]" 1
151 1 24 ALA HA 1 70 ARG H . . 5.470 5.571 5.276 5.808 0.338 7 0 "[ . 1 . 2]" 1
152 1 24 ALA HA 1 70 ARG HB3 . . 4.190 2.565 2.365 2.855 . 0 0 "[ . 1 . 2]" 1
153 1 24 ALA HA 1 70 ARG HD2 . . 4.530 2.295 2.095 3.426 . 0 0 "[ . 1 . 2]" 1
154 1 24 ALA HA 1 70 ARG QD . . 3.940 2.144 2.060 2.303 . 0 0 "[ . 1 . 2]" 1
155 1 24 ALA HA 1 70 ARG HD3 . . 4.530 3.557 2.078 3.967 . 0 0 "[ . 1 . 2]" 1
156 1 24 ALA HA 1 70 ARG HG2 . . 4.010 4.041 3.855 4.321 0.311 12 0 "[ . 1 . 2]" 1
157 1 24 ALA HA 1 70 ARG HG3 . . 4.750 2.634 2.408 3.025 . 0 0 "[ . 1 . 2]" 1
158 1 24 ALA MB 1 25 CYS H . . 3.590 2.387 2.296 2.488 . 0 0 "[ . 1 . 2]" 1
159 1 24 ALA MB 1 26 ASP H . . 4.850 4.626 4.463 4.753 . 0 0 "[ . 1 . 2]" 1
160 1 24 ALA MB 1 28 LEU QD . . 4.060 3.319 3.062 4.127 0.067 4 0 "[ . 1 . 2]" 1
161 1 24 ALA MB 1 70 ARG H . . 5.360 4.945 4.671 5.189 . 0 0 "[ . 1 . 2]" 1
162 1 24 ALA MB 1 70 ARG HA . . 3.500 2.762 2.407 3.098 . 0 0 "[ . 1 . 2]" 1
163 1 24 ALA MB 1 70 ARG HD2 . . 4.740 2.580 2.188 4.195 . 0 0 "[ . 1 . 2]" 1
164 1 24 ALA MB 1 70 ARG QD . . 3.900 2.341 2.168 2.640 . 0 0 "[ . 1 . 2]" 1
165 1 24 ALA MB 1 70 ARG HD3 . . 4.740 3.517 2.278 3.909 . 0 0 "[ . 1 . 2]" 1
166 1 24 ALA MB 1 73 THR H . . 4.500 4.625 4.071 4.990 0.490 14 0 "[ . 1 . 2]" 1
167 1 24 ALA MB 1 73 THR HB . . 4.460 3.214 2.223 4.652 0.192 6 0 "[ . 1 . 2]" 1
168 1 24 ALA MB 1 73 THR MG . . 3.540 2.903 2.185 3.845 0.305 11 0 "[ . 1 . 2]" 1
169 1 24 ALA MB 1 74 LEU H . . 4.190 3.787 3.353 4.152 . 0 0 "[ . 1 . 2]" 1
170 1 24 ALA MB 1 74 LEU QB . . 4.780 3.787 3.309 4.312 . 0 0 "[ . 1 . 2]" 1
171 1 24 ALA MB 1 74 LEU MD1 . . 3.630 2.335 1.959 3.542 . 0 0 "[ . 1 . 2]" 1
172 1 24 ALA MB 1 74 LEU QD . . 2.710 2.060 1.893 2.341 . 0 0 "[ . 1 . 2]" 1
173 1 24 ALA MB 1 74 LEU MD2 . . 3.630 2.816 1.902 3.355 . 0 0 "[ . 1 . 2]" 1
174 1 25 CYS H 1 25 CYS HB2 . . 3.950 2.576 2.338 3.649 . 0 0 "[ . 1 . 2]" 1
175 1 25 CYS H 1 25 CYS QB . . 3.380 2.295 2.175 2.542 . 0 0 "[ . 1 . 2]" 1
176 1 25 CYS H 1 25 CYS HB3 . . 3.950 2.914 2.483 3.594 . 0 0 "[ . 1 . 2]" 1
177 1 25 CYS H 1 26 ASP H . . 3.510 2.869 2.744 2.949 . 0 0 "[ . 1 . 2]" 1
178 1 25 CYS H 1 37 ALA MB . . 5.500 4.973 4.607 5.513 0.013 12 0 "[ . 1 . 2]" 1
179 1 25 CYS H 1 70 ARG QD . . 5.340 5.252 4.983 5.386 0.046 10 0 "[ . 1 . 2]" 1
180 1 25 CYS H 1 74 LEU QD . . 4.070 3.102 2.480 3.334 . 0 0 "[ . 1 . 2]" 1
181 1 25 CYS HA 1 28 LEU H . . 4.290 3.851 3.566 4.103 . 0 0 "[ . 1 . 2]" 1
182 1 25 CYS HA 1 28 LEU HB2 . . 4.870 3.118 2.687 3.409 . 0 0 "[ . 1 . 2]" 1
183 1 25 CYS HA 1 28 LEU QB . . 4.070 3.074 2.658 3.362 . 0 0 "[ . 1 . 2]" 1
184 1 25 CYS HA 1 28 LEU HB3 . . 4.870 4.668 4.221 5.114 0.244 10 0 "[ . 1 . 2]" 1
185 1 25 CYS HA 1 28 LEU QD . . 3.510 2.885 2.323 3.378 . 0 0 "[ . 1 . 2]" 1
186 1 25 CYS HA 1 29 ARG H . . 4.920 4.667 4.343 5.137 0.217 2 0 "[ . 1 . 2]" 1
187 1 25 CYS HA 1 37 ALA MB . . 4.010 2.620 2.276 3.148 . 0 0 "[ . 1 . 2]" 1
188 1 25 CYS HA 1 74 LEU QD . . 4.650 3.652 2.894 3.989 . 0 0 "[ . 1 . 2]" 1
189 1 25 CYS QB 1 26 ASP H . . 3.550 2.654 2.357 3.695 0.145 5 0 "[ . 1 . 2]" 1
190 1 25 CYS QB 1 37 ALA MB . . 3.730 3.281 2.312 4.144 0.414 12 0 "[ . 1 . 2]" 1
191 1 25 CYS HB2 1 26 ASP H . . 4.370 3.430 2.545 4.144 . 0 0 "[ . 1 . 2]" 1
192 1 25 CYS HB3 1 26 ASP H . . 4.370 3.059 2.382 4.190 . 0 0 "[ . 1 . 2]" 1
193 1 26 ASP H 1 26 ASP HB2 . . 3.740 2.446 2.323 2.579 . 0 0 "[ . 1 . 2]" 1
194 1 26 ASP H 1 26 ASP QB . . 3.200 2.246 2.201 2.394 . 0 0 "[ . 1 . 2]" 1
195 1 26 ASP H 1 26 ASP HB3 . . 3.740 2.742 2.461 3.610 . 0 0 "[ . 1 . 2]" 1
196 1 26 ASP H 1 27 TRP H . . 3.800 2.797 2.572 2.885 . 0 0 "[ . 1 . 2]" 1
197 1 26 ASP HA 1 27 TRP HA . . 4.820 4.838 4.766 4.911 0.091 4 0 "[ . 1 . 2]" 1
198 1 26 ASP HA 1 29 ARG H . . 4.230 3.781 3.540 4.035 . 0 0 "[ . 1 . 2]" 1
199 1 26 ASP HA 1 29 ARG QB . . 4.510 3.446 2.504 4.495 . 0 0 "[ . 1 . 2]" 1
200 1 26 ASP HA 1 29 ARG QD . . 4.340 3.497 2.250 4.733 0.393 19 0 "[ . 1 . 2]" 1
201 1 26 ASP HA 1 29 ARG QG . . 4.840 3.480 2.320 4.913 0.073 14 0 "[ . 1 . 2]" 1
202 1 26 ASP QB 1 27 TRP H . . 3.530 2.630 2.477 2.932 . 0 0 "[ . 1 . 2]" 1
203 1 26 ASP HB2 1 27 TRP H . . 4.180 3.706 2.553 4.006 . 0 0 "[ . 1 . 2]" 1
204 1 26 ASP HB3 1 27 TRP H . . 4.180 2.832 2.518 3.817 . 0 0 "[ . 1 . 2]" 1
205 1 27 TRP H 1 27 TRP HB2 . . 3.590 2.535 2.459 2.609 . 0 0 "[ . 1 . 2]" 1
206 1 27 TRP H 1 27 TRP HB3 . . 3.710 2.532 2.449 2.604 . 0 0 "[ . 1 . 2]" 1
207 1 27 TRP H 1 28 LEU H . . 3.790 2.838 2.662 2.945 . 0 0 "[ . 1 . 2]" 1
208 1 27 TRP H 1 28 LEU QD . . 5.040 4.842 4.138 5.398 0.358 4 0 "[ . 1 . 2]" 1
209 1 27 TRP H 1 29 ARG H . . 4.950 4.412 4.218 4.628 . 0 0 "[ . 1 . 2]" 1
210 1 27 TRP H 1 37 ALA MB . . 5.500 5.594 5.149 6.011 0.511 7 1 "[ . + 1 . 2]" 1
211 1 27 TRP HA 1 27 TRP HD1 . . 4.430 3.162 3.095 3.350 . 0 0 "[ . 1 . 2]" 1
212 1 27 TRP HA 1 30 ALA H . . 3.940 3.428 3.320 3.556 . 0 0 "[ . 1 . 2]" 1
213 1 27 TRP HA 1 30 ALA MB . . 3.110 2.496 2.304 2.778 . 0 0 "[ . 1 . 2]" 1
214 1 27 TRP HB2 1 28 LEU H . . 4.230 3.964 3.913 4.016 . 0 0 "[ . 1 . 2]" 1
215 1 27 TRP HB3 1 28 LEU H . . 4.060 2.654 2.571 2.713 . 0 0 "[ . 1 . 2]" 1
216 1 27 TRP HB3 1 28 LEU HA . . 4.460 4.411 4.337 4.519 0.059 12 0 "[ . 1 . 2]" 1
217 1 27 TRP HB3 1 28 LEU QD . . 5.100 4.069 2.912 4.766 . 0 0 "[ . 1 . 2]" 1
218 1 27 TRP HB3 1 31 ALA MB . . 5.190 4.892 4.729 5.006 . 0 0 "[ . 1 . 2]" 1
219 1 27 TRP HE1 1 63 LEU QD . . 4.750 4.276 3.539 4.673 . 0 0 "[ . 1 . 2]" 1
220 1 27 TRP HE3 1 28 LEU H . . 4.360 3.004 2.849 3.186 . 0 0 "[ . 1 . 2]" 1
221 1 27 TRP HE3 1 28 LEU HA . . 3.670 2.719 2.522 2.926 . 0 0 "[ . 1 . 2]" 1
222 1 27 TRP HE3 1 28 LEU MD1 . . 4.470 3.711 2.139 4.175 . 0 0 "[ . 1 . 2]" 1
223 1 27 TRP HE3 1 28 LEU QD . . 3.330 2.635 2.026 3.341 0.011 4 0 "[ . 1 . 2]" 1
224 1 27 TRP HE3 1 28 LEU MD2 . . 4.470 2.880 2.055 4.106 . 0 0 "[ . 1 . 2]" 1
225 1 27 TRP HE3 1 28 LEU HG . . 4.870 2.800 2.279 4.834 . 0 0 "[ . 1 . 2]" 1
226 1 27 TRP HH2 1 63 LEU QD . . 4.050 2.454 2.086 3.079 . 0 0 "[ . 1 . 2]" 1
227 1 27 TRP HH2 1 66 PRO QG . . 4.730 2.512 2.198 2.819 . 0 0 "[ . 1 . 2]" 1
228 1 27 TRP HZ2 1 63 LEU QD . . 3.990 2.270 2.081 2.536 . 0 0 "[ . 1 . 2]" 1
229 1 27 TRP HZ2 1 66 PRO HB2 . . 4.500 3.179 2.736 3.519 . 0 0 "[ . 1 . 2]" 1
230 1 27 TRP HZ2 1 66 PRO HB3 . . 4.160 4.205 3.980 4.471 0.311 4 0 "[ . 1 . 2]" 1
231 1 27 TRP HZ2 1 66 PRO QG . . 4.500 2.388 2.206 2.604 . 0 0 "[ . 1 . 2]" 1
232 1 28 LEU H 1 28 LEU HB2 . . 4.110 2.286 2.074 2.462 . 0 0 "[ . 1 . 2]" 1
233 1 28 LEU H 1 28 LEU QB . . 3.430 2.260 2.056 2.426 . 0 0 "[ . 1 . 2]" 1
234 1 28 LEU H 1 28 LEU HB3 . . 4.110 3.558 3.384 3.654 . 0 0 "[ . 1 . 2]" 1
235 1 28 LEU H 1 28 LEU MD1 . . 4.160 3.435 2.239 3.922 . 0 0 "[ . 1 . 2]" 1
236 1 28 LEU H 1 28 LEU MD2 . . 4.160 3.680 2.431 4.294 0.134 12 0 "[ . 1 . 2]" 1
237 1 28 LEU H 1 28 LEU HG . . 4.130 2.960 2.455 4.300 0.170 1 0 "[ . 1 . 2]" 1
238 1 28 LEU H 1 29 ARG H . . 4.130 2.862 2.747 2.966 . 0 0 "[ . 1 . 2]" 1
239 1 28 LEU H 1 37 ALA MB . . 4.640 4.065 3.726 4.438 . 0 0 "[ . 1 . 2]" 1
240 1 28 LEU HA 1 28 LEU QD . . 3.160 2.205 2.011 3.021 . 0 0 "[ . 1 . 2]" 1
241 1 28 LEU HA 1 31 ALA H . . 4.450 3.584 3.365 3.809 . 0 0 "[ . 1 . 2]" 1
242 1 28 LEU HA 1 31 ALA MB . . 3.940 2.575 2.239 2.845 . 0 0 "[ . 1 . 2]" 1
243 1 28 LEU HA 1 33 PHE H . . 4.670 4.129 3.916 4.345 . 0 0 "[ . 1 . 2]" 1
244 1 28 LEU HA 1 33 PHE HB2 . . 4.580 3.957 3.615 4.417 . 0 0 "[ . 1 . 2]" 1
245 1 28 LEU QB 1 29 ARG H . . 3.390 2.688 2.464 2.906 . 0 0 "[ . 1 . 2]" 1
246 1 28 LEU QB 1 29 ARG HA . . 4.290 4.078 3.913 4.183 . 0 0 "[ . 1 . 2]" 1
247 1 28 LEU QB 1 37 ALA H . . 4.530 2.880 2.645 3.295 . 0 0 "[ . 1 . 2]" 1
248 1 28 LEU QB 1 37 ALA HA . . 4.580 3.730 3.352 4.113 . 0 0 "[ . 1 . 2]" 1
249 1 28 LEU QB 1 37 ALA MB . . 3.310 2.123 1.985 2.345 . 0 0 "[ . 1 . 2]" 1
250 1 28 LEU HB2 1 29 ARG H . . 4.110 2.829 2.559 3.040 . 0 0 "[ . 1 . 2]" 1
251 1 28 LEU HB3 1 29 ARG H . . 4.110 3.398 2.935 3.718 . 0 0 "[ . 1 . 2]" 1
252 1 28 LEU QD 1 31 ALA MB . . 4.050 3.418 3.057 4.085 0.035 10 0 "[ . 1 . 2]" 1
253 1 28 LEU QD 1 33 PHE HB2 . . 3.650 2.931 2.253 3.541 . 0 0 "[ . 1 . 2]" 1
254 1 28 LEU QD 1 33 PHE HB3 . . 4.030 3.782 3.194 4.322 0.292 3 0 "[ . 1 . 2]" 1
255 1 28 LEU QD 1 36 TYR H . . 5.440 3.871 3.384 4.212 . 0 0 "[ . 1 . 2]" 1
256 1 28 LEU QD 1 36 TYR QB . . 3.290 2.064 1.888 2.417 . 0 0 "[ . 1 . 2]" 1
257 1 28 LEU QD 1 36 TYR QD . . 3.310 2.400 2.157 2.674 . 0 0 "[ . 1 . 2]" 1
258 1 28 LEU QD 1 37 ALA H . . 3.340 2.943 2.555 3.636 0.296 14 0 "[ . 1 . 2]" 1
259 1 28 LEU QD 1 37 ALA HA . . 3.810 2.995 2.562 3.999 0.189 14 0 "[ . 1 . 2]" 1
260 1 28 LEU QD 1 37 ALA MB . . 3.710 2.780 2.364 3.449 . 0 0 "[ . 1 . 2]" 1
261 1 28 LEU QD 1 38 GLN H . . 5.440 5.032 4.612 5.722 0.282 1 0 "[ . 1 . 2]" 1
262 1 28 LEU QD 1 67 LEU QD . . 3.030 2.304 1.934 2.980 . 0 0 "[ . 1 . 2]" 1
263 1 28 LEU QD 1 71 LEU H . . 4.660 3.712 3.251 4.513 . 0 0 "[ . 1 . 2]" 1
264 1 28 LEU QD 1 71 LEU QD . . 2.860 2.201 1.772 2.656 . 0 0 "[ . 1 . 2]" 1
265 1 28 LEU QD 1 71 LEU HG . . 3.810 3.042 2.285 4.089 0.279 9 0 "[ . 1 . 2]" 1
266 1 28 LEU QD 1 74 LEU QD . . 3.730 3.429 2.758 3.880 0.150 1 0 "[ . 1 . 2]" 1
267 1 28 LEU MD1 1 29 ARG H . . 4.860 4.602 4.220 4.853 . 0 0 "[ . 1 . 2]" 1
268 1 28 LEU MD1 1 36 TYR HB2 . . 4.890 2.679 2.228 4.289 . 0 0 "[ . 1 . 2]" 1
269 1 28 LEU MD1 1 36 TYR HB3 . . 4.890 2.933 2.454 4.593 . 0 0 "[ . 1 . 2]" 1
270 1 28 LEU MD1 1 37 ALA H . . 4.200 3.189 2.630 4.701 0.501 12 1 "[ . 1 + . 2]" 1
271 1 28 LEU MD1 1 71 LEU H . . 5.500 4.301 3.423 4.999 . 0 0 "[ . 1 . 2]" 1
272 1 28 LEU MD1 1 71 LEU MD1 . . 4.310 4.005 1.999 4.779 0.469 5 0 "[ . 1 . 2]" 1
273 1 28 LEU MD1 1 71 LEU MD2 . . 4.310 2.596 1.995 3.603 . 0 0 "[ . 1 . 2]" 1
274 1 28 LEU MD2 1 29 ARG H . . 4.860 4.747 4.409 4.954 0.094 10 0 "[ . 1 . 2]" 1
275 1 28 LEU MD2 1 36 TYR HB2 . . 4.890 2.544 2.046 4.022 . 0 0 "[ . 1 . 2]" 1
276 1 28 LEU MD2 1 36 TYR HB3 . . 4.890 3.219 2.599 4.089 . 0 0 "[ . 1 . 2]" 1
277 1 28 LEU MD2 1 37 ALA H . . 4.200 3.868 2.946 4.550 0.350 1 0 "[ . 1 . 2]" 1
278 1 28 LEU MD2 1 71 LEU H . . 5.500 4.179 3.510 5.373 . 0 0 "[ . 1 . 2]" 1
279 1 28 LEU MD2 1 71 LEU MD1 . . 4.310 3.490 2.085 4.167 . 0 0 "[ . 1 . 2]" 1
280 1 28 LEU MD2 1 71 LEU MD2 . . 4.310 2.838 2.085 4.106 . 0 0 "[ . 1 . 2]" 1
281 1 28 LEU HG 1 71 LEU HG . . 4.940 5.164 4.450 5.772 0.832 14 5 "[* ** 1- +. 2]" 1
282 1 29 ARG H 1 29 ARG QB . . 3.290 2.504 2.189 2.792 . 0 0 "[ . 1 . 2]" 1
283 1 29 ARG H 1 29 ARG QD . . 4.570 4.018 2.875 4.746 0.176 19 0 "[ . 1 . 2]" 1
284 1 29 ARG H 1 29 ARG QG . . 3.780 2.761 1.977 4.032 0.252 19 0 "[ . 1 . 2]" 1
285 1 29 ARG H 1 30 ALA H . . 3.490 2.771 2.560 2.877 . 0 0 "[ . 1 . 2]" 1
286 1 29 ARG H 1 30 ALA MB . . 5.430 4.369 4.171 4.455 . 0 0 "[ . 1 . 2]" 1
287 1 29 ARG H 1 34 PRO HA . . 5.040 3.922 3.649 4.487 . 0 0 "[ . 1 . 2]" 1
288 1 29 ARG H 1 37 ALA MB . . 4.480 3.410 2.848 3.963 . 0 0 "[ . 1 . 2]" 1
289 1 29 ARG HA 1 29 ARG QG . . 4.020 2.707 2.362 3.383 . 0 0 "[ . 1 . 2]" 1
290 1 29 ARG HA 1 34 PRO HA . . 3.900 2.668 2.280 3.068 . 0 0 "[ . 1 . 2]" 1
291 1 29 ARG HA 1 34 PRO QB . . 4.660 2.397 2.251 2.601 . 0 0 "[ . 1 . 2]" 1
292 1 29 ARG QB 1 29 ARG HE . . 4.960 3.120 2.288 4.411 . 0 0 "[ . 1 . 2]" 1
293 1 29 ARG QB 1 30 ALA H . . 3.600 2.666 2.222 3.543 . 0 0 "[ . 1 . 2]" 1
294 1 29 ARG QB 1 30 ALA HA . . 5.260 4.175 3.828 4.527 . 0 0 "[ . 1 . 2]" 1
295 1 29 ARG QD 1 34 PRO HA . . 5.190 4.347 2.356 5.379 0.189 5 0 "[ . 1 . 2]" 1
296 1 29 ARG QD 1 37 ALA MB . . 5.330 3.677 2.408 4.728 . 0 0 "[ . 1 . 2]" 1
297 1 29 ARG QG 1 30 ALA HA . . 5.500 4.727 3.472 5.883 0.383 11 0 "[ . 1 . 2]" 1
298 1 29 ARG QG 1 31 ALA H . . 5.500 5.307 4.579 5.783 0.283 7 0 "[ . 1 . 2]" 1
299 1 29 ARG QG 1 34 PRO HA . . 4.250 3.458 2.113 4.645 0.395 5 0 "[ . 1 . 2]" 1
300 1 30 ALA H 1 30 ALA MB . . 3.020 2.211 2.196 2.222 . 0 0 "[ . 1 . 2]" 1
301 1 30 ALA H 1 31 ALA H . . 3.540 2.807 2.668 2.919 . 0 0 "[ . 1 . 2]" 1
302 1 30 ALA H 1 31 ALA MB . . 4.600 4.375 4.206 4.503 . 0 0 "[ . 1 . 2]" 1
303 1 30 ALA HA 1 31 ALA MB . . 5.290 5.011 4.973 5.033 . 0 0 "[ . 1 . 2]" 1
304 1 30 ALA HA 1 32 GLY H . . 4.870 3.798 3.610 4.498 . 0 0 "[ . 1 . 2]" 1
305 1 30 ALA MB 1 31 ALA H . . 3.360 2.669 2.489 2.740 . 0 0 "[ . 1 . 2]" 1
306 1 30 ALA MB 1 31 ALA HA . . 4.640 4.049 3.956 4.105 . 0 0 "[ . 1 . 2]" 1
307 1 30 ALA MB 1 31 ALA MB . . 4.500 3.780 3.637 3.850 . 0 0 "[ . 1 . 2]" 1
308 1 30 ALA MB 1 32 GLY H . . 5.080 4.386 4.298 4.679 . 0 0 "[ . 1 . 2]" 1
309 1 31 ALA H 1 31 ALA MB . . 3.070 2.172 2.139 2.189 . 0 0 "[ . 1 . 2]" 1
310 1 31 ALA H 1 32 GLY H . . 3.630 2.804 2.742 2.879 . 0 0 "[ . 1 . 2]" 1
311 1 31 ALA H 1 32 GLY QA . . 5.060 4.716 4.668 4.777 . 0 0 "[ . 1 . 2]" 1
312 1 31 ALA H 1 33 PHE H . . 4.690 4.023 3.879 4.230 . 0 0 "[ . 1 . 2]" 1
313 1 31 ALA MB 1 32 GLY H . . 3.110 3.135 2.443 3.271 0.161 18 0 "[ . 1 . 2]" 1
314 1 31 ALA MB 1 32 GLY QA . . 5.300 4.075 3.818 4.144 . 0 0 "[ . 1 . 2]" 1
315 1 31 ALA MB 1 33 PHE H . . 4.400 3.066 2.799 3.288 . 0 0 "[ . 1 . 2]" 1
316 1 31 ALA MB 1 33 PHE QE . . 4.510 3.760 3.134 4.422 . 0 0 "[ . 1 . 2]" 1
317 1 31 ALA MB 1 63 LEU QD . . 3.800 2.266 2.011 2.774 . 0 0 "[ . 1 . 2]" 1
318 1 32 GLY H 1 33 PHE H . . 3.260 2.410 1.942 2.523 . 0 0 "[ . 1 . 2]" 1
319 1 32 GLY H 1 33 PHE HA . . 5.180 5.095 4.724 5.216 0.036 9 0 "[ . 1 . 2]" 1
320 1 32 GLY H 1 34 PRO HD3 . . 4.720 3.830 3.646 3.980 . 0 0 "[ . 1 . 2]" 1
321 1 33 PHE H 1 33 PHE HB2 . . 4.060 2.775 2.729 2.811 . 0 0 "[ . 1 . 2]" 1
322 1 33 PHE H 1 34 PRO HA . . 5.210 4.515 4.398 4.591 . 0 0 "[ . 1 . 2]" 1
323 1 33 PHE H 1 34 PRO HD2 . . 4.680 3.811 3.668 3.941 . 0 0 "[ . 1 . 2]" 1
324 1 33 PHE H 1 34 PRO HD3 . . 4.490 3.058 2.935 3.210 . 0 0 "[ . 1 . 2]" 1
325 1 33 PHE HA 1 34 PRO HD3 . . 4.000 3.248 3.151 3.327 . 0 0 "[ . 1 . 2]" 1
326 1 33 PHE HA 1 35 GLN H . . 4.770 3.289 3.195 3.427 . 0 0 "[ . 1 . 2]" 1
327 1 33 PHE HA 1 36 TYR QD . . 5.500 4.601 4.354 4.893 . 0 0 "[ . 1 . 2]" 1
328 1 33 PHE HB2 1 36 TYR QD . . 3.690 2.649 2.370 3.268 . 0 0 "[ . 1 . 2]" 1
329 1 33 PHE HB2 1 67 LEU QD . . 4.070 3.589 2.883 3.902 . 0 0 "[ . 1 . 2]" 1
330 1 33 PHE HB3 1 36 TYR QD . . 3.570 2.419 2.233 2.680 . 0 0 "[ . 1 . 2]" 1
331 1 33 PHE HB3 1 36 TYR QE . . 4.740 2.902 2.447 3.566 . 0 0 "[ . 1 . 2]" 1
332 1 33 PHE HB3 1 67 LEU QD . . 4.540 4.023 3.506 4.404 . 0 0 "[ . 1 . 2]" 1
333 1 33 PHE QD 1 34 PRO HD2 . . 4.880 4.422 4.184 4.738 . 0 0 "[ . 1 . 2]" 1
334 1 33 PHE QD 1 67 LEU QB . . 4.440 4.401 4.073 4.926 0.486 17 0 "[ . 1 . 2]" 1
335 1 33 PHE QD 1 67 LEU QD . . 4.110 3.022 2.403 3.619 . 0 0 "[ . 1 . 2]" 1
336 1 33 PHE QE 1 63 LEU MD1 . . 4.560 3.454 2.308 4.614 0.054 5 0 "[ . 1 . 2]" 1
337 1 33 PHE QE 1 63 LEU QD . . 3.520 2.561 2.191 3.607 0.087 20 0 "[ . 1 . 2]" 1
338 1 33 PHE QE 1 63 LEU MD2 . . 4.560 3.297 2.203 4.715 0.155 20 0 "[ . 1 . 2]" 1
339 1 33 PHE QE 1 67 LEU QD . . 4.640 3.517 3.034 4.162 . 0 0 "[ . 1 . 2]" 1
340 1 34 PRO HA 1 37 ALA H . . 4.450 3.296 3.105 3.478 . 0 0 "[ . 1 . 2]" 1
341 1 34 PRO QB 1 35 GLN H . . 3.920 3.506 3.418 3.592 . 0 0 "[ . 1 . 2]" 1
342 1 34 PRO QB 1 37 ALA MB . . 4.710 3.653 3.331 3.926 . 0 0 "[ . 1 . 2]" 1
343 1 34 PRO HD2 1 35 GLN H . . 4.590 2.855 2.793 2.928 . 0 0 "[ . 1 . 2]" 1
344 1 34 PRO HD2 1 35 GLN HA . . 5.340 5.495 5.388 5.612 0.272 19 0 "[ . 1 . 2]" 1
345 1 34 PRO HD3 1 35 GLN H . . 4.620 3.977 3.935 4.028 . 0 0 "[ . 1 . 2]" 1
346 1 35 GLN H 1 35 GLN HB2 . . 3.750 3.199 2.424 3.628 . 0 0 "[ . 1 . 2]" 1
347 1 35 GLN H 1 35 GLN QB . . 3.210 2.373 2.180 2.509 . 0 0 "[ . 1 . 2]" 1
348 1 35 GLN H 1 35 GLN HB3 . . 3.750 2.515 2.448 2.613 . 0 0 "[ . 1 . 2]" 1
349 1 35 GLN H 1 35 GLN HG2 . . 4.580 3.048 2.233 4.521 . 0 0 "[ . 1 . 2]" 1
350 1 35 GLN H 1 35 GLN HG3 . . 4.580 3.824 3.334 4.524 . 0 0 "[ . 1 . 2]" 1
351 1 35 GLN H 1 36 TYR H . . 3.900 2.940 2.888 3.021 . 0 0 "[ . 1 . 2]" 1
352 1 35 GLN HA 1 35 GLN QG . . 3.730 3.065 2.380 3.426 . 0 0 "[ . 1 . 2]" 1
353 1 35 GLN HA 1 36 TYR HA . . 4.990 4.800 4.748 4.861 . 0 0 "[ . 1 . 2]" 1
354 1 35 GLN HA 1 38 GLN H . . 4.430 3.679 3.474 3.905 . 0 0 "[ . 1 . 2]" 1
355 1 35 GLN HA 1 38 GLN HB2 . . 3.870 2.804 2.522 3.074 . 0 0 "[ . 1 . 2]" 1
356 1 35 GLN HA 1 38 GLN HB3 . . 4.440 4.381 4.052 4.689 0.249 3 0 "[ . 1 . 2]" 1
357 1 35 GLN HA 1 38 GLN HG2 . . 4.770 4.188 3.787 4.659 . 0 0 "[ . 1 . 2]" 1
358 1 35 GLN HA 1 38 GLN QG . . 4.140 3.552 3.205 3.900 . 0 0 "[ . 1 . 2]" 1
359 1 35 GLN HA 1 38 GLN HG3 . . 4.770 3.844 3.459 4.256 . 0 0 "[ . 1 . 2]" 1
360 1 35 GLN QB 1 36 TYR H . . 4.190 3.169 2.477 3.650 . 0 0 "[ . 1 . 2]" 1
361 1 35 GLN HB2 1 36 TYR H . . 4.890 3.858 3.599 4.000 . 0 0 "[ . 1 . 2]" 1
362 1 35 GLN HB3 1 36 TYR H . . 4.890 3.543 2.508 4.212 . 0 0 "[ . 1 . 2]" 1
363 1 35 GLN QE 1 35 GLN QG . . 3.100 2.248 2.175 2.338 . 0 0 "[ . 1 . 2]" 1
364 1 35 GLN QE 1 36 TYR QD . . 4.430 4.128 3.778 4.493 0.063 20 0 "[ . 1 . 2]" 1
365 1 35 GLN QE 1 39 LEU QD . . 4.580 3.907 2.959 4.443 . 0 0 "[ . 1 . 2]" 1
366 1 35 GLN QG 1 36 TYR H . . 4.120 2.753 2.041 4.123 0.003 8 0 "[ . 1 . 2]" 1
367 1 35 GLN HG2 1 36 TYR H . . 4.780 3.083 2.416 4.407 . 0 0 "[ . 1 . 2]" 1
368 1 35 GLN HG3 1 36 TYR H . . 4.780 3.253 2.156 4.962 0.182 8 0 "[ . 1 . 2]" 1
369 1 36 TYR H 1 36 TYR HB2 . . 3.960 2.488 2.396 2.576 . 0 0 "[ . 1 . 2]" 1
370 1 36 TYR H 1 36 TYR QB . . 3.450 2.447 2.363 2.526 . 0 0 "[ . 1 . 2]" 1
371 1 36 TYR H 1 36 TYR HB3 . . 3.960 3.621 3.597 3.640 . 0 0 "[ . 1 . 2]" 1
372 1 36 TYR H 1 36 TYR QD . . 3.900 3.174 2.902 3.337 . 0 0 "[ . 1 . 2]" 1
373 1 36 TYR H 1 37 ALA H . . 3.350 2.790 2.669 2.907 . 0 0 "[ . 1 . 2]" 1
374 1 36 TYR H 1 37 ALA MB . . 4.410 4.391 4.268 4.529 0.119 7 0 "[ . 1 . 2]" 1
375 1 36 TYR H 1 38 GLN H . . 4.200 4.310 4.168 4.481 0.281 1 0 "[ . 1 . 2]" 1
376 1 36 TYR HA 1 39 LEU H . . 4.440 3.541 3.270 3.700 . 0 0 "[ . 1 . 2]" 1
377 1 36 TYR HA 1 39 LEU HB2 . . 5.120 2.903 2.468 3.518 . 0 0 "[ . 1 . 2]" 1
378 1 36 TYR HA 1 39 LEU QB . . 4.440 2.866 2.447 3.454 . 0 0 "[ . 1 . 2]" 1
379 1 36 TYR HA 1 39 LEU HB3 . . 5.120 4.444 4.012 5.139 0.019 20 0 "[ . 1 . 2]" 1
380 1 36 TYR QB 1 37 ALA H . . 3.770 2.525 2.375 2.735 . 0 0 "[ . 1 . 2]" 1
381 1 36 TYR QB 1 71 LEU QD . . 3.340 2.311 2.186 2.632 . 0 0 "[ . 1 . 2]" 1
382 1 36 TYR HB2 1 37 ALA H . . 4.380 2.585 2.439 2.813 . 0 0 "[ . 1 . 2]" 1
383 1 36 TYR HB3 1 37 ALA H . . 4.380 3.555 3.256 3.817 . 0 0 "[ . 1 . 2]" 1
384 1 36 TYR QD 1 39 LEU HB2 . . 5.500 4.262 3.875 4.561 . 0 0 "[ . 1 . 2]" 1
385 1 36 TYR QD 1 39 LEU QB . . 4.630 4.094 3.730 4.394 . 0 0 "[ . 1 . 2]" 1
386 1 36 TYR QD 1 39 LEU HB3 . . 5.500 5.301 4.835 5.743 0.243 14 0 "[ . 1 . 2]" 1
387 1 36 TYR QD 1 39 LEU QD . . 3.770 3.111 2.420 3.703 . 0 0 "[ . 1 . 2]" 1
388 1 36 TYR QD 1 47 ILE MD . . 4.420 3.594 2.792 4.060 . 0 0 "[ . 1 . 2]" 1
389 1 36 TYR QD 1 52 VAL QG . . 4.420 4.082 3.348 4.543 0.123 5 0 "[ . 1 . 2]" 1
390 1 36 TYR QD 1 67 LEU QD . . 3.410 2.841 2.444 3.300 . 0 0 "[ . 1 . 2]" 1
391 1 36 TYR QD 1 71 LEU QD . . 3.720 3.146 2.553 3.461 . 0 0 "[ . 1 . 2]" 1
392 1 36 TYR QE 1 47 ILE MD . . 4.300 3.418 2.903 4.062 . 0 0 "[ . 1 . 2]" 1
393 1 36 TYR QE 1 52 VAL QG . . 4.090 2.933 2.460 3.515 . 0 0 "[ . 1 . 2]" 1
394 1 36 TYR QE 1 67 LEU QB . . 5.340 5.390 4.983 5.893 0.553 4 1 "[ +. 1 . 2]" 1
395 1 36 TYR QE 1 67 LEU MD1 . . 4.220 2.845 2.364 3.173 . 0 0 "[ . 1 . 2]" 1
396 1 36 TYR QE 1 67 LEU QD . . 3.350 2.665 2.325 2.997 . 0 0 "[ . 1 . 2]" 1
397 1 36 TYR QE 1 67 LEU MD2 . . 4.220 3.464 2.398 4.268 0.048 12 0 "[ . 1 . 2]" 1
398 1 36 TYR QE 1 71 LEU QD . . 4.720 3.846 3.115 4.453 . 0 0 "[ . 1 . 2]" 1
399 1 37 ALA H 1 37 ALA MB . . 3.200 2.222 2.190 2.253 . 0 0 "[ . 1 . 2]" 1
400 1 37 ALA H 1 38 GLN H . . 3.530 2.879 2.790 2.959 . 0 0 "[ . 1 . 2]" 1
401 1 37 ALA H 1 38 GLN HB2 . . 4.660 4.878 4.713 5.014 0.354 3 0 "[ . 1 . 2]" 1
402 1 37 ALA H 1 71 LEU QD . . 4.630 4.875 4.636 5.098 0.468 5 0 "[ . 1 . 2]" 1
403 1 37 ALA HA 1 40 TYR H . . 4.780 3.886 3.691 4.101 . 0 0 "[ . 1 . 2]" 1
404 1 37 ALA HA 1 40 TYR HB2 . . 4.840 3.634 3.258 4.035 . 0 0 "[ . 1 . 2]" 1
405 1 37 ALA HA 1 40 TYR QB . . 4.170 3.484 3.162 3.797 . 0 0 "[ . 1 . 2]" 1
406 1 37 ALA HA 1 40 TYR HB3 . . 4.840 4.489 4.237 4.776 . 0 0 "[ . 1 . 2]" 1
407 1 37 ALA HA 1 74 LEU QD . . 4.270 4.127 3.581 4.531 0.261 18 0 "[ . 1 . 2]" 1
408 1 37 ALA MB 1 38 GLN H . . 3.520 2.526 2.376 2.801 . 0 0 "[ . 1 . 2]" 1
409 1 37 ALA MB 1 38 GLN HB2 . . 5.220 4.472 4.314 4.707 . 0 0 "[ . 1 . 2]" 1
410 1 37 ALA MB 1 38 GLN QG . . 4.660 3.382 3.116 3.666 . 0 0 "[ . 1 . 2]" 1
411 1 38 GLN H 1 38 GLN HB2 . . 3.510 2.338 2.272 2.400 . 0 0 "[ . 1 . 2]" 1
412 1 38 GLN H 1 38 GLN HB3 . . 3.620 3.577 3.550 3.601 . 0 0 "[ . 1 . 2]" 1
413 1 38 GLN H 1 38 GLN HG2 . . 4.170 2.507 2.362 2.707 . 0 0 "[ . 1 . 2]" 1
414 1 38 GLN H 1 38 GLN QG . . 3.660 2.466 2.331 2.651 . 0 0 "[ . 1 . 2]" 1
415 1 38 GLN H 1 38 GLN HG3 . . 4.170 3.679 3.590 3.787 . 0 0 "[ . 1 . 2]" 1
416 1 38 GLN H 1 39 LEU H . . 3.680 2.821 2.707 2.883 . 0 0 "[ . 1 . 2]" 1
417 1 38 GLN HA 1 38 GLN HE21 . . 4.500 3.295 2.522 4.060 . 0 0 "[ . 1 . 2]" 1
418 1 38 GLN HA 1 38 GLN HE22 . . 4.850 3.728 3.399 4.093 . 0 0 "[ . 1 . 2]" 1
419 1 38 GLN HA 1 38 GLN HG2 . . 4.150 2.846 2.728 2.974 . 0 0 "[ . 1 . 2]" 1
420 1 38 GLN HA 1 38 GLN HG3 . . 4.150 3.718 3.676 3.755 . 0 0 "[ . 1 . 2]" 1
421 1 38 GLN HB2 1 38 GLN HE21 . . 4.580 4.216 3.784 4.645 0.065 2 0 "[ . 1 . 2]" 1
422 1 38 GLN HB2 1 38 GLN HE22 . . 5.350 5.182 4.994 5.386 0.036 2 0 "[ . 1 . 2]" 1
423 1 38 GLN HB2 1 39 LEU H . . 3.960 3.100 2.895 3.361 . 0 0 "[ . 1 . 2]" 1
424 1 38 GLN HB3 1 38 GLN HE21 . . 4.630 3.533 2.366 4.455 . 0 0 "[ . 1 . 2]" 1
425 1 38 GLN HB3 1 38 GLN HE22 . . 4.640 4.142 3.665 4.594 . 0 0 "[ . 1 . 2]" 1
426 1 38 GLN HB3 1 39 LEU H . . 3.910 3.796 3.580 4.078 0.168 14 0 "[ . 1 . 2]" 1
427 1 39 LEU H 1 39 LEU HB2 . . 3.780 2.294 2.118 2.604 . 0 0 "[ . 1 . 2]" 1
428 1 39 LEU H 1 39 LEU QB . . 3.200 2.267 2.099 2.551 . 0 0 "[ . 1 . 2]" 1
429 1 39 LEU H 1 39 LEU HB3 . . 3.780 3.543 3.364 3.652 . 0 0 "[ . 1 . 2]" 1
430 1 39 LEU H 1 39 LEU MD1 . . 4.240 3.365 2.503 3.869 . 0 0 "[ . 1 . 2]" 1
431 1 39 LEU H 1 39 LEU QD . . 3.570 3.007 2.269 3.424 . 0 0 "[ . 1 . 2]" 1
432 1 39 LEU H 1 39 LEU MD2 . . 4.240 3.722 2.285 4.070 . 0 0 "[ . 1 . 2]" 1
433 1 39 LEU H 1 39 LEU HG . . 4.220 3.283 2.355 4.327 0.107 17 0 "[ . 1 . 2]" 1
434 1 39 LEU H 1 40 TYR H . . 3.430 2.764 2.553 2.917 . 0 0 "[ . 1 . 2]" 1
435 1 39 LEU H 1 45 PHE QE . . 4.380 3.806 3.397 4.137 . 0 0 "[ . 1 . 2]" 1
436 1 39 LEU HA 1 39 LEU QD . . 3.100 2.204 2.049 2.585 . 0 0 "[ . 1 . 2]" 1
437 1 39 LEU HA 1 42 ASP H . . 4.150 3.230 2.992 3.390 . 0 0 "[ . 1 . 2]" 1
438 1 39 LEU HA 1 42 ASP HB2 . . 4.010 2.787 2.201 3.649 . 0 0 "[ . 1 . 2]" 1
439 1 39 LEU HA 1 42 ASP QB . . 3.500 2.439 2.187 2.846 . 0 0 "[ . 1 . 2]" 1
440 1 39 LEU HA 1 42 ASP HB3 . . 4.010 3.318 2.228 4.298 0.288 5 0 "[ . 1 . 2]" 1
441 1 39 LEU HA 1 44 GLN H . . 5.010 4.082 3.559 4.332 . 0 0 "[ . 1 . 2]" 1
442 1 39 LEU HA 1 44 GLN QG . . 4.710 4.563 3.946 4.990 0.280 20 0 "[ . 1 . 2]" 1
443 1 39 LEU QB 1 39 LEU QD . . 2.700 1.981 1.950 2.138 . 0 0 "[ . 1 . 2]" 1
444 1 39 LEU QB 1 40 TYR H . . 3.700 3.445 3.226 3.548 . 0 0 "[ . 1 . 2]" 1
445 1 39 LEU QB 1 44 GLN H . . 4.830 3.255 2.817 3.464 . 0 0 "[ . 1 . 2]" 1
446 1 39 LEU QB 1 44 GLN QG . . 4.920 4.019 3.517 4.485 . 0 0 "[ . 1 . 2]" 1
447 1 39 LEU QB 1 45 PHE QE . . 3.890 3.714 2.901 4.025 0.135 4 0 "[ . 1 . 2]" 1
448 1 39 LEU HB2 1 39 LEU MD1 . . 3.520 2.454 2.263 3.291 . 0 0 "[ . 1 . 2]" 1
449 1 39 LEU HB2 1 39 LEU MD2 . . 3.520 2.914 2.303 3.271 . 0 0 "[ . 1 . 2]" 1
450 1 39 LEU HB2 1 40 TYR H . . 4.300 3.691 3.362 3.949 . 0 0 "[ . 1 . 2]" 1
451 1 39 LEU HB2 1 45 PHE QD . . 4.800 3.606 2.425 4.165 . 0 0 "[ . 1 . 2]" 1
452 1 39 LEU HB3 1 39 LEU MD1 . . 3.520 2.697 2.312 3.283 . 0 0 "[ . 1 . 2]" 1
453 1 39 LEU HB3 1 39 LEU MD2 . . 3.520 2.465 2.276 3.243 . 0 0 "[ . 1 . 2]" 1
454 1 39 LEU HB3 1 40 TYR H . . 4.300 4.148 3.830 4.327 0.027 14 0 "[ . 1 . 2]" 1
455 1 39 LEU HB3 1 45 PHE QD . . 4.800 3.532 3.008 3.835 . 0 0 "[ . 1 . 2]" 1
456 1 39 LEU QD 1 40 TYR H . . 4.730 4.468 4.139 4.587 . 0 0 "[ . 1 . 2]" 1
457 1 39 LEU QD 1 42 ASP QB . . 4.300 2.915 2.271 4.080 . 0 0 "[ . 1 . 2]" 1
458 1 39 LEU QD 1 44 GLN H . . 4.720 4.044 3.733 4.449 . 0 0 "[ . 1 . 2]" 1
459 1 39 LEU QD 1 44 GLN QB . . 3.110 2.136 2.031 2.263 . 0 0 "[ . 1 . 2]" 1
460 1 39 LEU QD 1 44 GLN QE . . 5.030 4.296 3.021 5.108 0.078 2 0 "[ . 1 . 2]" 1
461 1 39 LEU QD 1 44 GLN QG . . 3.540 3.132 2.300 3.962 0.422 11 0 "[ . 1 . 2]" 1
462 1 39 LEU QD 1 45 PHE QE . . 5.440 4.952 4.337 5.173 . 0 0 "[ . 1 . 2]" 1
463 1 39 LEU MD1 1 40 TYR H . . 5.500 5.081 4.559 5.393 . 0 0 "[ . 1 . 2]" 1
464 1 39 LEU MD2 1 40 TYR H . . 5.500 5.048 4.411 5.517 0.017 17 0 "[ . 1 . 2]" 1
465 1 39 LEU HG 1 40 TYR H . . 5.500 5.173 4.706 5.886 0.386 19 0 "[ . 1 . 2]" 1
466 1 39 LEU HG 1 42 ASP QB . . 5.340 4.243 2.955 5.120 . 0 0 "[ . 1 . 2]" 1
467 1 40 TYR H 1 40 TYR HB2 . . 3.580 2.569 2.456 2.663 . 0 0 "[ . 1 . 2]" 1
468 1 40 TYR H 1 40 TYR HB3 . . 3.580 2.494 2.434 2.600 . 0 0 "[ . 1 . 2]" 1
469 1 40 TYR H 1 40 TYR QD . . 4.570 4.243 4.222 4.264 . 0 0 "[ . 1 . 2]" 1
470 1 40 TYR H 1 41 GLU H . . 3.730 2.878 2.705 3.020 . 0 0 "[ . 1 . 2]" 1
471 1 40 TYR H 1 45 PHE QE . . 3.890 2.640 2.392 2.890 . 0 0 "[ . 1 . 2]" 1
472 1 40 TYR HA 1 40 TYR QD . . 4.270 2.216 2.175 2.269 . 0 0 "[ . 1 . 2]" 1
473 1 40 TYR HA 1 40 TYR QE . . 4.790 4.503 4.463 4.538 . 0 0 "[ . 1 . 2]" 1
474 1 40 TYR HA 1 45 PHE QD . . 3.870 2.361 2.209 2.634 . 0 0 "[ . 1 . 2]" 1
475 1 40 TYR HA 1 45 PHE QE . . 4.040 3.208 2.744 3.617 . 0 0 "[ . 1 . 2]" 1
476 1 40 TYR QB 1 41 GLU H . . 3.680 2.365 2.251 2.494 . 0 0 "[ . 1 . 2]" 1
477 1 40 TYR QB 1 45 PHE QD . . 4.560 3.363 3.046 3.672 . 0 0 "[ . 1 . 2]" 1
478 1 40 TYR QB 1 74 LEU QD . . 3.860 2.826 2.375 3.417 . 0 0 "[ . 1 . 2]" 1
479 1 40 TYR QD 1 41 GLU H . . 4.690 3.772 3.459 4.100 . 0 0 "[ . 1 . 2]" 1
480 1 40 TYR QD 1 41 GLU HG2 . . 5.000 3.753 2.845 4.256 . 0 0 "[ . 1 . 2]" 1
481 1 40 TYR QD 1 41 GLU QG . . 4.300 3.160 2.636 3.736 . 0 0 "[ . 1 . 2]" 1
482 1 40 TYR QD 1 41 GLU HG3 . . 5.000 3.621 2.761 5.210 0.210 11 0 "[ . 1 . 2]" 1
483 1 40 TYR QD 1 45 PHE HB2 . . 4.090 3.645 3.149 4.040 . 0 0 "[ . 1 . 2]" 1
484 1 40 TYR QD 1 45 PHE QD . . 4.240 3.565 3.288 3.835 . 0 0 "[ . 1 . 2]" 1
485 1 40 TYR QD 1 74 LEU HA . . 5.500 5.239 4.618 5.692 0.192 2 0 "[ . 1 . 2]" 1
486 1 40 TYR QD 1 74 LEU HB2 . . 4.910 4.572 4.086 5.068 0.158 20 0 "[ . 1 . 2]" 1
487 1 40 TYR QD 1 74 LEU HB3 . . 4.910 3.215 2.847 3.727 . 0 0 "[ . 1 . 2]" 1
488 1 40 TYR QD 1 74 LEU MD1 . . 4.560 3.839 2.735 4.757 0.197 14 0 "[ . 1 . 2]" 1
489 1 40 TYR QD 1 74 LEU MD2 . . 4.560 3.315 2.525 4.681 0.121 19 0 "[ . 1 . 2]" 1
490 1 40 TYR QD 1 78 ALA MB . . 4.120 3.407 2.811 3.872 . 0 0 "[ . 1 . 2]" 1
491 1 40 TYR QE 1 45 PHE HB2 . . 5.230 5.177 4.724 5.455 0.225 3 0 "[ . 1 . 2]" 1
492 1 40 TYR QE 1 74 LEU HA . . 4.880 4.132 3.306 4.730 . 0 0 "[ . 1 . 2]" 1
493 1 40 TYR QE 1 74 LEU QB . . 4.720 3.260 2.546 4.109 . 0 0 "[ . 1 . 2]" 1
494 1 40 TYR QE 1 74 LEU QD . . 4.030 2.928 2.444 3.355 . 0 0 "[ . 1 . 2]" 1
495 1 40 TYR QE 1 77 CYS QB . . 4.350 3.169 2.580 3.811 . 0 0 "[ . 1 . 2]" 1
496 1 40 TYR QE 1 78 ALA H . . 4.600 3.895 3.122 4.492 . 0 0 "[ . 1 . 2]" 1
497 1 40 TYR QE 1 78 ALA HA . . 4.560 4.118 3.482 4.684 0.124 12 0 "[ . 1 . 2]" 1
498 1 40 TYR QE 1 78 ALA MB . . 3.670 3.202 2.631 3.754 0.084 20 0 "[ . 1 . 2]" 1
499 1 41 GLU H 1 41 GLU HB2 . . 3.810 2.486 2.390 2.551 . 0 0 "[ . 1 . 2]" 1
500 1 41 GLU H 1 41 GLU QB . . 3.250 2.445 2.358 2.503 . 0 0 "[ . 1 . 2]" 1
501 1 41 GLU H 1 41 GLU HB3 . . 3.810 3.619 3.595 3.643 . 0 0 "[ . 1 . 2]" 1
502 1 41 GLU H 1 41 GLU HG2 . . 3.890 3.171 2.238 3.536 . 0 0 "[ . 1 . 2]" 1
503 1 41 GLU H 1 41 GLU QG . . 3.280 2.261 2.161 2.393 . 0 0 "[ . 1 . 2]" 1
504 1 41 GLU H 1 41 GLU HG3 . . 3.890 2.556 2.194 3.685 . 0 0 "[ . 1 . 2]" 1
505 1 41 GLU H 1 42 ASP H . . 3.670 2.680 2.604 2.737 . 0 0 "[ . 1 . 2]" 1
506 1 41 GLU H 1 74 LEU QD . . 5.440 5.669 5.441 6.107 0.667 5 3 "[ + 1 . * -2]" 1
507 1 41 GLU HA 1 41 GLU HG2 . . 3.890 2.578 2.420 3.250 . 0 0 "[ . 1 . 2]" 1
508 1 41 GLU HA 1 41 GLU QG . . 3.400 2.486 2.333 3.077 . 0 0 "[ . 1 . 2]" 1
509 1 41 GLU HA 1 41 GLU HG3 . . 3.890 3.269 2.989 3.822 . 0 0 "[ . 1 . 2]" 1
510 1 41 GLU HA 1 43 SER H . . 4.260 3.565 3.367 3.740 . 0 0 "[ . 1 . 2]" 1
511 1 41 GLU QB 1 42 ASP H . . 3.670 2.977 2.793 3.142 . 0 0 "[ . 1 . 2]" 1
512 1 41 GLU QB 1 43 SER H . . 5.270 4.535 4.478 4.672 . 0 0 "[ . 1 . 2]" 1
513 1 41 GLU HB2 1 42 ASP H . . 4.190 3.078 2.872 3.266 . 0 0 "[ . 1 . 2]" 1
514 1 41 GLU HB3 1 42 ASP H . . 4.190 3.963 3.803 4.086 . 0 0 "[ . 1 . 2]" 1
515 1 41 GLU QG 1 42 ASP H . . 5.340 4.264 4.144 4.428 . 0 0 "[ . 1 . 2]" 1
516 1 42 ASP H 1 42 ASP HB2 . . 3.680 2.410 2.256 2.712 . 0 0 "[ . 1 . 2]" 1
517 1 42 ASP H 1 42 ASP QB . . 3.080 2.295 2.232 2.415 . 0 0 "[ . 1 . 2]" 1
518 1 42 ASP H 1 42 ASP HB3 . . 3.680 3.136 2.617 3.644 . 0 0 "[ . 1 . 2]" 1
519 1 42 ASP H 1 43 SER H . . 3.350 2.557 2.342 2.655 . 0 0 "[ . 1 . 2]" 1
520 1 42 ASP H 1 43 SER HA . . 4.950 4.685 4.265 4.833 . 0 0 "[ . 1 . 2]" 1
521 1 42 ASP H 1 44 GLN QG . . 5.340 4.976 4.617 5.278 . 0 0 "[ . 1 . 2]" 1
522 1 42 ASP QB 1 44 GLN H . . 4.570 3.228 2.786 3.522 . 0 0 "[ . 1 . 2]" 1
523 1 42 ASP QB 1 44 GLN QE . . 4.780 4.376 2.297 5.165 0.385 14 0 "[ . 1 . 2]" 1
524 1 42 ASP QB 1 44 GLN QG . . 3.510 2.673 2.300 3.152 . 0 0 "[ . 1 . 2]" 1
525 1 42 ASP HB2 1 43 SER H . . 4.680 3.919 3.516 4.358 . 0 0 "[ . 1 . 2]" 1
526 1 42 ASP HB2 1 44 GLN QG . . 4.910 3.815 3.072 4.641 . 0 0 "[ . 1 . 2]" 1
527 1 42 ASP HB3 1 43 SER H . . 4.680 3.881 3.491 4.281 . 0 0 "[ . 1 . 2]" 1
528 1 42 ASP HB3 1 44 GLN QG . . 4.910 2.738 2.375 3.206 . 0 0 "[ . 1 . 2]" 1
529 1 43 SER H 1 43 SER HB2 . . 4.130 3.411 2.941 3.960 . 0 0 "[ . 1 . 2]" 1
530 1 43 SER H 1 43 SER QB . . 3.620 3.173 2.838 3.428 . 0 0 "[ . 1 . 2]" 1
531 1 43 SER H 1 43 SER HB3 . . 4.130 3.884 2.978 4.063 . 0 0 "[ . 1 . 2]" 1
532 1 43 SER H 1 44 GLN H . . 3.230 2.791 2.689 2.889 . 0 0 "[ . 1 . 2]" 1
533 1 43 SER H 1 44 GLN QB . . 5.340 4.737 4.402 5.135 . 0 0 "[ . 1 . 2]" 1
534 1 43 SER H 1 44 GLN QG . . 5.500 4.420 4.260 4.674 . 0 0 "[ . 1 . 2]" 1
535 1 43 SER HB2 1 44 GLN H . . 4.790 4.413 4.094 4.636 . 0 0 "[ . 1 . 2]" 1
536 1 43 SER HB3 1 44 GLN H . . 4.790 4.456 4.249 4.620 . 0 0 "[ . 1 . 2]" 1
537 1 44 GLN H 1 44 GLN HB2 . . 3.840 2.525 2.277 2.820 . 0 0 "[ . 1 . 2]" 1
538 1 44 GLN H 1 44 GLN QB . . 3.340 2.486 2.252 2.756 . 0 0 "[ . 1 . 2]" 1
539 1 44 GLN H 1 44 GLN HB3 . . 3.840 3.726 3.571 3.877 0.037 14 0 "[ . 1 . 2]" 1
540 1 44 GLN H 1 44 GLN QG . . 3.710 2.927 2.525 3.131 . 0 0 "[ . 1 . 2]" 1
541 1 44 GLN H 1 45 PHE H . . 2.800 2.593 2.382 2.933 0.133 8 0 "[ . 1 . 2]" 1
542 1 44 GLN H 1 45 PHE QD . . 4.950 3.925 3.695 4.385 . 0 0 "[ . 1 . 2]" 1
543 1 44 GLN HA 1 44 GLN QG . . 3.630 2.614 2.328 2.966 . 0 0 "[ . 1 . 2]" 1
544 1 44 GLN QB 1 45 PHE QD . . 5.000 4.667 4.345 5.026 0.026 4 0 "[ . 1 . 2]" 1
545 1 44 GLN HB2 1 45 PHE H . . 4.840 4.041 3.786 4.214 . 0 0 "[ . 1 . 2]" 1
546 1 44 GLN HB3 1 45 PHE H . . 4.840 4.446 4.333 4.516 . 0 0 "[ . 1 . 2]" 1
547 1 45 PHE H 1 45 PHE HB2 . . 3.450 2.146 2.111 2.194 . 0 0 "[ . 1 . 2]" 1
548 1 45 PHE H 1 45 PHE HB3 . . 4.030 3.403 3.283 3.485 . 0 0 "[ . 1 . 2]" 1
549 1 45 PHE H 1 45 PHE QD . . 3.860 2.937 2.609 3.279 . 0 0 "[ . 1 . 2]" 1
550 1 45 PHE H 1 78 ALA MB . . 4.580 3.769 3.194 4.251 . 0 0 "[ . 1 . 2]" 1
551 1 45 PHE HA 1 45 PHE QD . . 3.920 2.718 2.509 2.947 . 0 0 "[ . 1 . 2]" 1
552 1 45 PHE HA 1 45 PHE QE . . 4.600 4.379 4.295 4.474 . 0 0 "[ . 1 . 2]" 1
553 1 45 PHE HA 1 47 ILE H . . 5.080 4.376 4.254 4.509 . 0 0 "[ . 1 . 2]" 1
554 1 45 PHE HA 1 47 ILE QG . . 4.810 3.558 3.380 3.678 . 0 0 "[ . 1 . 2]" 1
555 1 45 PHE HA 1 47 ILE MG . . 4.440 4.503 4.322 4.627 0.187 7 0 "[ . 1 . 2]" 1
556 1 45 PHE HB2 1 46 PRO HA . . 5.380 5.243 5.113 5.427 0.047 7 0 "[ . 1 . 2]" 1
557 1 45 PHE HB2 1 74 LEU QD . . 4.850 4.693 3.945 5.126 0.276 19 0 "[ . 1 . 2]" 1
558 1 45 PHE HB2 1 78 ALA MB . . 3.610 2.947 2.468 3.334 . 0 0 "[ . 1 . 2]" 1
559 1 45 PHE HB3 1 46 PRO HA . . 3.990 4.071 3.995 4.144 0.154 2 0 "[ . 1 . 2]" 1
560 1 45 PHE HB3 1 47 ILE H . . 5.500 5.119 5.018 5.232 . 0 0 "[ . 1 . 2]" 1
561 1 45 PHE HB3 1 78 ALA MB . . 3.690 3.532 3.351 3.836 0.146 13 0 "[ . 1 . 2]" 1
562 1 45 PHE QD 1 71 LEU QD . . 5.190 2.959 2.507 3.932 . 0 0 "[ . 1 . 2]" 1
563 1 45 PHE QD 1 74 LEU HB2 . . 4.290 2.727 2.513 3.045 . 0 0 "[ . 1 . 2]" 1
564 1 45 PHE QD 1 74 LEU QB . . 3.670 2.575 2.347 2.766 . 0 0 "[ . 1 . 2]" 1
565 1 45 PHE QD 1 74 LEU HB3 . . 4.290 3.290 2.668 3.756 . 0 0 "[ . 1 . 2]" 1
566 1 45 PHE QD 1 78 ALA MB . . 4.220 4.186 3.792 4.432 0.212 4 0 "[ . 1 . 2]" 1
567 1 45 PHE QE 1 71 LEU QD . . 3.800 2.522 2.261 2.891 . 0 0 "[ . 1 . 2]" 1
568 1 45 PHE QE 1 74 LEU HB2 . . 4.630 2.491 2.243 3.030 . 0 0 "[ . 1 . 2]" 1
569 1 45 PHE QE 1 74 LEU HB3 . . 4.630 3.656 3.296 4.167 . 0 0 "[ . 1 . 2]" 1
570 1 45 PHE QE 1 74 LEU MD1 . . 5.080 3.312 2.330 4.338 . 0 0 "[ . 1 . 2]" 1
571 1 45 PHE QE 1 74 LEU QD . . 4.070 2.446 2.289 2.661 . 0 0 "[ . 1 . 2]" 1
572 1 45 PHE QE 1 74 LEU MD2 . . 5.080 3.212 2.298 4.608 . 0 0 "[ . 1 . 2]" 1
573 1 46 PRO HA 1 47 ILE H . . 3.550 2.355 2.308 2.392 . 0 0 "[ . 1 . 2]" 1
574 1 46 PRO HB2 1 47 ILE H . . 4.190 4.340 4.287 4.368 0.178 11 0 "[ . 1 . 2]" 1
575 1 46 PRO HB2 1 47 ILE HA . . 4.890 4.801 4.707 4.845 . 0 0 "[ . 1 . 2]" 1
576 1 46 PRO HB3 1 47 ILE H . . 4.450 4.536 4.483 4.566 0.116 10 0 "[ . 1 . 2]" 1
577 1 46 PRO HB3 1 78 ALA MB . . 4.170 4.198 3.694 4.577 0.407 15 0 "[ . 1 . 2]" 1
578 1 46 PRO QD 1 78 ALA MB . . 3.470 2.522 2.179 2.954 . 0 0 "[ . 1 . 2]" 1
579 1 46 PRO HD2 1 78 ALA MB . . 4.190 3.391 2.992 3.829 . 0 0 "[ . 1 . 2]" 1
580 1 46 PRO HD3 1 78 ALA MB . . 4.190 2.604 2.226 3.072 . 0 0 "[ . 1 . 2]" 1
581 1 47 ILE H 1 47 ILE MD . . 4.280 4.046 4.003 4.099 . 0 0 "[ . 1 . 2]" 1
582 1 47 ILE H 1 47 ILE HG12 . . 4.370 2.533 2.440 2.717 . 0 0 "[ . 1 . 2]" 1
583 1 47 ILE H 1 47 ILE QG . . 3.700 2.340 2.295 2.406 . 0 0 "[ . 1 . 2]" 1
584 1 47 ILE H 1 47 ILE HG13 . . 4.370 2.774 2.628 2.934 . 0 0 "[ . 1 . 2]" 1
585 1 47 ILE H 1 47 ILE MG . . 3.580 3.133 3.056 3.242 . 0 0 "[ . 1 . 2]" 1
586 1 47 ILE H 1 49 ILE MD . . 4.660 4.302 3.415 5.040 0.380 12 0 "[ . 1 . 2]" 1
587 1 47 ILE H 1 75 ASN QD . . 4.600 4.648 3.654 5.708 1.108 13 3 "[ - . 1 + * 2]" 1
588 1 47 ILE HA 1 47 ILE MD . . 4.360 4.197 4.163 4.213 . 0 0 "[ . 1 . 2]" 1
589 1 47 ILE HA 1 47 ILE QG . . 3.550 3.381 3.371 3.390 . 0 0 "[ . 1 . 2]" 1
590 1 47 ILE HA 1 47 ILE MG . . 3.480 2.232 2.205 2.264 . 0 0 "[ . 1 . 2]" 1
591 1 47 ILE HA 1 48 ASN QB . . 4.640 4.182 3.782 4.473 . 0 0 "[ . 1 . 2]" 1
592 1 47 ILE HB 1 48 ASN H . . 4.610 4.276 4.105 4.414 . 0 0 "[ . 1 . 2]" 1
593 1 47 ILE MD 1 47 ILE MG . . 3.060 2.162 2.128 2.217 . 0 0 "[ . 1 . 2]" 1
594 1 47 ILE QG 1 47 ILE MG . . 3.170 2.314 2.257 2.393 . 0 0 "[ . 1 . 2]" 1
595 1 47 ILE QG 1 48 ASN H . . 4.220 4.309 4.086 4.457 0.237 4 0 "[ . 1 . 2]" 1
596 1 47 ILE QG 1 49 ILE HA . . 5.040 4.597 4.291 4.807 . 0 0 "[ . 1 . 2]" 1
597 1 47 ILE QG 1 49 ILE QG . . 4.550 4.170 3.571 4.558 0.008 11 0 "[ . 1 . 2]" 1
598 1 47 ILE MG 1 48 ASN H . . 4.810 4.234 4.138 4.329 . 0 0 "[ . 1 . 2]" 1
599 1 48 ASN H 1 48 ASN HB2 . . 4.040 3.399 2.870 3.738 . 0 0 "[ . 1 . 2]" 1
600 1 48 ASN H 1 48 ASN HB3 . . 4.040 3.895 3.534 4.084 0.044 14 0 "[ . 1 . 2]" 1
601 1 48 ASN HA 1 49 ILE H . . 3.220 2.392 2.250 2.578 . 0 0 "[ . 1 . 2]" 1
602 1 48 ASN HA 1 49 ILE HB . . 4.920 4.675 4.535 4.893 . 0 0 "[ . 1 . 2]" 1
603 1 48 ASN QB 1 49 ILE H . . 4.290 3.972 3.858 4.087 . 0 0 "[ . 1 . 2]" 1
604 1 48 ASN QB 1 51 ALA MB . . 3.440 2.376 2.089 3.037 . 0 0 "[ . 1 . 2]" 1
605 1 48 ASN HB2 1 49 ILE H . . 4.960 4.570 4.503 4.671 . 0 0 "[ . 1 . 2]" 1
606 1 48 ASN HB3 1 49 ILE H . . 4.960 4.367 4.172 4.578 . 0 0 "[ . 1 . 2]" 1
607 1 48 ASN QD 1 51 ALA MB . . 3.800 3.187 2.318 3.664 . 0 0 "[ . 1 . 2]" 1
608 1 48 ASN HD21 1 51 ALA MB . . 4.460 3.404 2.820 3.773 . 0 0 "[ . 1 . 2]" 1
609 1 48 ASN HD22 1 51 ALA MB . . 4.460 4.144 2.405 4.962 0.502 20 1 "[ . 1 . +]" 1
610 1 49 ILE H 1 49 ILE HB . . 3.490 2.565 2.485 2.761 . 0 0 "[ . 1 . 2]" 1
611 1 49 ILE H 1 49 ILE MD . . 3.540 3.477 3.311 3.604 0.064 5 0 "[ . 1 . 2]" 1
612 1 49 ILE H 1 49 ILE QG . . 3.790 2.066 1.846 2.144 . 0 0 "[ . 1 . 2]" 1
613 1 49 ILE H 1 49 ILE MG . . 3.910 3.821 3.791 3.856 . 0 0 "[ . 1 . 2]" 1
614 1 49 ILE H 1 50 VAL H . . 3.690 2.895 2.777 3.035 . 0 0 "[ . 1 . 2]" 1
615 1 49 ILE H 1 50 VAL HA . . 5.500 5.525 5.410 5.618 0.118 1 0 "[ . 1 . 2]" 1
616 1 49 ILE H 1 51 ALA H . . 4.840 4.343 4.252 4.478 . 0 0 "[ . 1 . 2]" 1
617 1 49 ILE H 1 75 ASN QD . . 5.240 4.981 4.471 5.429 0.189 15 0 "[ . 1 . 2]" 1
618 1 49 ILE HA 1 49 ILE MD . . 3.890 3.877 3.810 3.921 0.031 11 0 "[ . 1 . 2]" 1
619 1 49 ILE HA 1 49 ILE MG . . 3.260 2.451 2.368 2.511 . 0 0 "[ . 1 . 2]" 1
620 1 49 ILE HA 1 51 ALA H . . 4.480 4.168 3.883 4.355 . 0 0 "[ . 1 . 2]" 1
621 1 49 ILE HA 1 52 VAL H . . 4.070 3.563 3.348 3.804 . 0 0 "[ . 1 . 2]" 1
622 1 49 ILE HA 1 52 VAL MG1 . . 4.020 3.620 2.974 4.060 0.040 1 0 "[ . 1 . 2]" 1
623 1 49 ILE HA 1 52 VAL QG . . 3.280 2.084 1.999 2.213 . 0 0 "[ . 1 . 2]" 1
624 1 49 ILE HA 1 52 VAL MG2 . . 4.020 2.100 2.019 2.235 . 0 0 "[ . 1 . 2]" 1
625 1 49 ILE HA 1 53 LYS H . . 4.770 4.176 3.686 5.216 0.446 10 0 "[ . 1 . 2]" 1
626 1 49 ILE HB 1 49 ILE MD . . 3.210 2.409 2.298 2.485 . 0 0 "[ . 1 . 2]" 1
627 1 49 ILE HB 1 50 VAL H . . 3.980 2.790 2.437 3.179 . 0 0 "[ . 1 . 2]" 1
628 1 49 ILE HB 1 50 VAL QG . . 3.620 3.621 3.290 4.271 0.651 5 2 "[ + 1 - . 2]" 1
629 1 49 ILE MD 1 68 CYS HA . . 4.380 4.046 3.498 4.584 0.204 15 0 "[ . 1 . 2]" 1
630 1 49 ILE MD 1 71 LEU H . . 5.130 4.672 4.359 5.165 0.035 10 0 "[ . 1 . 2]" 1
631 1 49 ILE MD 1 71 LEU HB2 . . 3.690 2.824 2.408 3.225 . 0 0 "[ . 1 . 2]" 1
632 1 49 ILE MD 1 71 LEU QB . . 3.160 2.245 2.061 2.650 . 0 0 "[ . 1 . 2]" 1
633 1 49 ILE MD 1 71 LEU HB3 . . 3.690 2.388 2.162 2.891 . 0 0 "[ . 1 . 2]" 1
634 1 49 ILE MD 1 72 ASN H . . 4.400 3.220 2.877 3.879 . 0 0 "[ . 1 . 2]" 1
635 1 49 ILE MD 1 72 ASN HA . . 3.480 2.923 2.323 3.485 0.005 10 0 "[ . 1 . 2]" 1
636 1 49 ILE MD 1 72 ASN HB2 . . 3.820 3.215 2.665 3.933 0.113 10 0 "[ . 1 . 2]" 1
637 1 49 ILE MD 1 72 ASN HB3 . . 5.100 4.465 3.967 5.138 0.038 10 0 "[ . 1 . 2]" 1
638 1 49 ILE MD 1 75 ASN QB . . 4.260 3.241 2.492 4.173 . 0 0 "[ . 1 . 2]" 1
639 1 49 ILE MD 1 75 ASN HD21 . . 3.790 2.569 1.896 3.041 . 0 0 "[ . 1 . 2]" 1
640 1 49 ILE MD 1 75 ASN HD22 . . 3.790 2.581 1.838 3.162 . 0 0 "[ . 1 . 2]" 1
641 1 49 ILE QG 1 68 CYS HA . . 4.920 4.830 4.310 5.387 0.467 10 0 "[ . 1 . 2]" 1
642 1 49 ILE QG 1 71 LEU QB . . 4.210 2.648 2.333 2.953 . 0 0 "[ . 1 . 2]" 1
643 1 49 ILE QG 1 75 ASN HD21 . . 4.950 4.129 3.570 4.729 . 0 0 "[ . 1 . 2]" 1
644 1 49 ILE QG 1 75 ASN QD . . 4.180 3.399 2.713 4.248 0.068 13 0 "[ . 1 . 2]" 1
645 1 49 ILE QG 1 75 ASN HD22 . . 4.950 3.820 2.767 4.985 0.035 13 0 "[ . 1 . 2]" 1
646 1 49 ILE MG 1 50 VAL H . . 4.230 3.498 3.259 3.795 . 0 0 "[ . 1 . 2]" 1
647 1 49 ILE MG 1 52 VAL QG . . 3.040 3.003 2.672 3.369 0.329 1 0 "[ . 1 . 2]" 1
648 1 49 ILE MG 1 53 LYS H . . 4.590 4.112 3.573 5.301 0.711 10 1 "[ . + . 2]" 1
649 1 49 ILE MG 1 53 LYS QD . . 3.800 2.773 2.174 4.179 0.379 10 0 "[ . 1 . 2]" 1
650 1 49 ILE MG 1 53 LYS QE . . 4.300 4.030 2.409 4.462 0.162 9 0 "[ . 1 . 2]" 1
651 1 49 ILE MG 1 68 CYS HA . . 4.010 2.479 2.191 2.759 . 0 0 "[ . 1 . 2]" 1
652 1 49 ILE MG 1 68 CYS QB . . 4.330 3.281 2.175 3.816 . 0 0 "[ . 1 . 2]" 1
653 1 49 ILE MG 1 71 LEU H . . 4.890 4.649 4.358 5.008 0.118 14 0 "[ . 1 . 2]" 1
654 1 50 VAL H 1 50 VAL HB . . 3.190 2.605 2.439 2.704 . 0 0 "[ . 1 . 2]" 1
655 1 50 VAL H 1 50 VAL MG1 . . 3.840 3.401 2.115 3.845 0.005 4 0 "[ . 1 . 2]" 1
656 1 50 VAL H 1 50 VAL QG . . 2.930 2.067 1.962 2.233 . 0 0 "[ . 1 . 2]" 1
657 1 50 VAL H 1 50 VAL MG2 . . 3.840 2.486 1.968 3.829 . 0 0 "[ . 1 . 2]" 1
658 1 50 VAL H 1 51 ALA H . . 3.460 2.801 2.517 2.876 . 0 0 "[ . 1 . 2]" 1
659 1 50 VAL HA 1 50 VAL MG1 . . 3.380 2.593 2.326 3.271 . 0 0 "[ . 1 . 2]" 1
660 1 50 VAL HA 1 50 VAL QG . . 2.960 2.174 2.108 2.324 . 0 0 "[ . 1 . 2]" 1
661 1 50 VAL HA 1 50 VAL MG2 . . 3.380 2.406 2.307 2.496 . 0 0 "[ . 1 . 2]" 1
662 1 50 VAL HA 1 53 LYS H . . 4.630 3.895 3.603 4.126 . 0 0 "[ . 1 . 2]" 1
663 1 50 VAL HA 1 53 LYS QB . . 4.530 3.933 3.064 4.444 . 0 0 "[ . 1 . 2]" 1
664 1 50 VAL HA 1 53 LYS QD . . 4.410 2.684 2.063 4.397 . 0 0 "[ . 1 . 2]" 1
665 1 50 VAL HA 1 53 LYS QE . . 4.710 3.265 1.939 4.465 . 0 0 "[ . 1 . 2]" 1
666 1 50 VAL HB 1 51 ALA H . . 4.250 3.277 2.747 4.256 0.006 11 0 "[ . 1 . 2]" 1
667 1 50 VAL HB 1 51 ALA MB . . 5.330 4.492 3.953 5.645 0.315 11 0 "[ . 1 . 2]" 1
668 1 50 VAL QG 1 51 ALA HA . . 4.270 3.712 3.372 4.044 . 0 0 "[ . 1 . 2]" 1
669 1 50 VAL QG 1 53 LYS QE . . 4.150 3.261 2.151 4.564 0.414 5 0 "[ . 1 . 2]" 1
670 1 50 VAL QG 1 53 LYS QG . . 4.090 3.406 3.115 3.801 . 0 0 "[ . 1 . 2]" 1
671 1 50 VAL QG 1 54 ASN H . . 4.830 4.771 4.094 5.591 0.761 14 1 "[ . 1 +. 2]" 1
672 1 50 VAL QG 1 54 ASN QD . . 3.560 3.023 2.341 4.160 0.600 20 1 "[ . 1 . +]" 1
673 1 50 VAL MG1 1 51 ALA H . . 4.150 3.510 2.512 4.049 . 0 0 "[ . 1 . 2]" 1
674 1 50 VAL MG2 1 51 ALA H . . 4.150 3.972 3.866 4.054 . 0 0 "[ . 1 . 2]" 1
675 1 51 ALA H 1 51 ALA MB . . 3.120 2.275 2.238 2.327 . 0 0 "[ . 1 . 2]" 1
676 1 51 ALA H 1 52 VAL H . . 3.580 2.653 2.411 2.778 . 0 0 "[ . 1 . 2]" 1
677 1 51 ALA H 1 52 VAL MG1 . . 4.800 4.210 3.858 4.479 . 0 0 "[ . 1 . 2]" 1
678 1 51 ALA H 1 52 VAL QG . . 4.220 3.678 3.493 3.836 . 0 0 "[ . 1 . 2]" 1
679 1 51 ALA H 1 52 VAL MG2 . . 4.800 4.079 3.744 4.332 . 0 0 "[ . 1 . 2]" 1
680 1 51 ALA HA 1 54 ASN H . . 4.240 3.738 3.401 4.111 . 0 0 "[ . 1 . 2]" 1
681 1 51 ALA HA 1 54 ASN QB . . 3.760 3.047 2.550 3.733 . 0 0 "[ . 1 . 2]" 1
682 1 51 ALA HA 1 54 ASN QD . . 4.360 3.765 2.450 4.611 0.251 12 0 "[ . 1 . 2]" 1
683 1 51 ALA MB 1 52 VAL H . . 3.680 2.438 2.330 2.562 . 0 0 "[ . 1 . 2]" 1
684 1 51 ALA MB 1 52 VAL HA . . 4.700 3.845 3.741 3.939 . 0 0 "[ . 1 . 2]" 1
685 1 51 ALA MB 1 52 VAL QG . . 3.580 2.980 2.782 3.102 . 0 0 "[ . 1 . 2]" 1
686 1 51 ALA MB 1 54 ASN QB . . 4.340 4.294 3.773 4.552 0.212 11 0 "[ . 1 . 2]" 1
687 1 52 VAL H 1 52 VAL HB . . 3.700 3.713 3.674 3.734 0.034 12 0 "[ . 1 . 2]" 1
688 1 52 VAL H 1 52 VAL MG1 . . 3.740 2.195 2.039 2.401 . 0 0 "[ . 1 . 2]" 1
689 1 52 VAL H 1 52 VAL QG . . 2.970 1.992 1.936 2.045 . 0 0 "[ . 1 . 2]" 1
690 1 52 VAL H 1 52 VAL MG2 . . 3.740 2.322 2.125 2.616 . 0 0 "[ . 1 . 2]" 1
691 1 52 VAL H 1 53 LYS H . . 3.630 2.831 2.736 2.911 . 0 0 "[ . 1 . 2]" 1
692 1 52 VAL H 1 53 LYS QB . . 5.130 4.955 4.704 5.145 0.015 2 0 "[ . 1 . 2]" 1
693 1 52 VAL H 1 53 LYS QD . . 5.500 5.736 4.881 6.590 1.090 18 2 "[ . 1 - + 2]" 1
694 1 52 VAL HA 1 52 VAL MG1 . . 3.230 2.367 2.279 2.454 . 0 0 "[ . 1 . 2]" 1
695 1 52 VAL HA 1 52 VAL MG2 . . 3.230 3.257 3.241 3.276 0.046 18 0 "[ . 1 . 2]" 1
696 1 52 VAL HA 1 55 ASP H . . 4.790 3.753 3.401 4.341 . 0 0 "[ . 1 . 2]" 1
697 1 52 VAL HA 1 55 ASP HB2 . . 5.020 3.491 2.560 4.851 . 0 0 "[ . 1 . 2]" 1
698 1 52 VAL HA 1 55 ASP QB . . 4.220 3.206 2.511 4.173 . 0 0 "[ . 1 . 2]" 1
699 1 52 VAL HA 1 55 ASP HB3 . . 5.020 4.190 2.885 5.105 0.085 5 0 "[ . 1 . 2]" 1
700 1 52 VAL HB 1 53 LYS H . . 4.220 4.032 3.881 4.410 0.190 9 0 "[ . 1 . 2]" 1
701 1 52 VAL QG 1 53 LYS H . . 3.370 2.510 2.348 3.076 . 0 0 "[ . 1 . 2]" 1
702 1 52 VAL QG 1 53 LYS HA . . 4.320 3.592 3.377 3.970 . 0 0 "[ . 1 . 2]" 1
703 1 52 VAL QG 1 53 LYS QB . . 3.860 3.433 3.075 4.323 0.463 15 0 "[ . 1 . 2]" 1
704 1 52 VAL QG 1 53 LYS QG . . 3.740 3.837 2.790 4.333 0.593 3 2 "[ + . - 1 . 2]" 1
705 1 52 VAL QG 1 67 LEU QD . . 3.650 2.938 2.220 3.607 . 0 0 "[ . 1 . 2]" 1
706 1 52 VAL QG 1 67 LEU HG . . 5.440 3.971 2.629 5.375 . 0 0 "[ . 1 . 2]" 1
707 1 52 VAL MG1 1 53 LYS H . . 4.060 4.088 3.912 4.226 0.166 10 0 "[ . 1 . 2]" 1
708 1 52 VAL MG2 1 53 LYS H . . 4.060 2.536 2.367 3.161 . 0 0 "[ . 1 . 2]" 1
709 1 53 LYS H 1 53 LYS QB . . 3.390 2.479 2.304 2.812 . 0 0 "[ . 1 . 2]" 1
710 1 53 LYS H 1 53 LYS QD . . 4.730 3.841 2.983 4.408 . 0 0 "[ . 1 . 2]" 1
711 1 53 LYS H 1 53 LYS HG2 . . 4.440 2.534 2.164 3.029 . 0 0 "[ . 1 . 2]" 1
712 1 53 LYS H 1 53 LYS QG . . 3.730 2.392 1.999 2.827 . 0 0 "[ . 1 . 2]" 1
713 1 53 LYS H 1 53 LYS HG3 . . 4.440 3.488 2.046 4.065 . 0 0 "[ . 1 . 2]" 1
714 1 53 LYS H 1 54 ASN H . . 3.430 2.659 2.286 2.775 . 0 0 "[ . 1 . 2]" 1
715 1 53 LYS HA 1 53 LYS HG2 . . 4.130 3.583 2.379 3.862 . 0 0 "[ . 1 . 2]" 1
716 1 53 LYS HA 1 53 LYS HG3 . . 4.130 3.675 3.387 3.818 . 0 0 "[ . 1 . 2]" 1
717 1 53 LYS HA 1 64 VAL MG1 . . 4.000 3.025 2.047 4.114 0.114 6 0 "[ . 1 . 2]" 1
718 1 53 LYS QB 1 53 LYS QE . . 4.320 2.960 2.065 3.743 . 0 0 "[ . 1 . 2]" 1
719 1 53 LYS QB 1 54 ASN H . . 3.880 3.540 2.809 3.943 0.063 12 0 "[ . 1 . 2]" 1
720 1 53 LYS QB 1 55 ASP H . . 4.860 4.920 4.601 5.229 0.369 6 0 "[ . 1 . 2]" 1
721 1 53 LYS QB 1 64 VAL HA . . 4.710 4.210 3.244 4.986 0.276 18 0 "[ . 1 . 2]" 1
722 1 53 LYS QB 1 64 VAL MG1 . . 4.100 2.129 1.974 2.608 . 0 0 "[ . 1 . 2]" 1
723 1 53 LYS QB 1 67 LEU QD . . 4.410 3.173 2.214 4.079 . 0 0 "[ . 1 . 2]" 1
724 1 53 LYS QB 1 67 LEU HG . . 5.500 4.404 2.587 6.038 0.538 5 1 "[ + 1 . 2]" 1
725 1 53 LYS QD 1 67 LEU QD . . 4.800 4.385 2.101 5.384 0.584 9 1 "[ . +1 . 2]" 1
726 1 53 LYS QE 1 53 LYS HG2 . . 3.880 3.060 2.441 3.579 . 0 0 "[ . 1 . 2]" 1
727 1 53 LYS QE 1 53 LYS HG3 . . 3.880 2.484 2.174 2.954 . 0 0 "[ . 1 . 2]" 1
728 1 53 LYS QE 1 64 VAL MG1 . . 4.450 3.138 1.893 5.009 0.559 7 1 "[ . + 1 . 2]" 1
729 1 53 LYS QG 1 54 ASN H . . 4.580 2.922 2.074 4.252 . 0 0 "[ . 1 . 2]" 1
730 1 53 LYS QG 1 64 VAL MG1 . . 4.410 2.997 2.262 3.810 . 0 0 "[ . 1 . 2]" 1
731 1 53 LYS HG2 1 64 VAL MG1 . . 5.120 3.929 2.530 4.630 . 0 0 "[ . 1 . 2]" 1
732 1 53 LYS HG3 1 64 VAL MG1 . . 5.120 3.276 2.285 4.054 . 0 0 "[ . 1 . 2]" 1
733 1 54 ASN H 1 54 ASN HB2 . . 3.820 2.377 2.184 2.526 . 0 0 "[ . 1 . 2]" 1
734 1 54 ASN H 1 54 ASN QB . . 3.170 2.313 2.110 2.431 . 0 0 "[ . 1 . 2]" 1
735 1 54 ASN H 1 54 ASN HB3 . . 3.820 3.374 2.552 3.677 . 0 0 "[ . 1 . 2]" 1
736 1 54 ASN H 1 55 ASP H . . 3.510 2.621 2.349 2.822 . 0 0 "[ . 1 . 2]" 1
737 1 54 ASN H 1 55 ASP QB . . 4.950 4.305 3.947 4.721 . 0 0 "[ . 1 . 2]" 1
738 1 54 ASN QB 1 54 ASN QD . . 3.060 2.245 2.119 2.379 . 0 0 "[ . 1 . 2]" 1
739 1 54 ASN QB 1 55 ASP H . . 3.860 3.452 2.840 3.802 . 0 0 "[ . 1 . 2]" 1
740 1 54 ASN HB2 1 55 ASP H . . 4.600 3.854 3.317 4.368 . 0 0 "[ . 1 . 2]" 1
741 1 54 ASN HB3 1 55 ASP H . . 4.600 4.052 2.932 4.456 . 0 0 "[ . 1 . 2]" 1
742 1 55 ASP H 1 55 ASP HB2 . . 3.820 2.525 2.256 3.574 . 0 0 "[ . 1 . 2]" 1
743 1 55 ASP H 1 55 ASP QB . . 3.150 2.254 2.142 2.442 . 0 0 "[ . 1 . 2]" 1
744 1 55 ASP H 1 55 ASP HB3 . . 3.820 2.828 2.421 3.640 . 0 0 "[ . 1 . 2]" 1
745 1 55 ASP H 1 56 HIS H . . 4.030 3.384 2.723 3.912 . 0 0 "[ . 1 . 2]" 1
746 1 56 HIS H 1 56 HIS QB . . 3.570 2.669 2.160 3.277 . 0 0 "[ . 1 . 2]" 1
747 1 56 HIS H 1 57 ASP H . . 3.740 3.174 2.761 3.907 0.167 9 0 "[ . 1 . 2]" 1
748 1 57 ASP H 1 57 ASP HB2 . . 3.610 2.779 2.282 3.706 0.096 3 0 "[ . 1 . 2]" 1
749 1 57 ASP H 1 57 ASP QB . . 3.140 2.345 2.167 2.751 . 0 0 "[ . 1 . 2]" 1
750 1 57 ASP H 1 57 ASP HB3 . . 3.610 2.655 2.416 3.563 . 0 0 "[ . 1 . 2]" 1
751 1 57 ASP H 1 58 PHE H . . 4.260 3.533 2.230 4.498 0.238 6 0 "[ . 1 . 2]" 1
752 1 58 PHE H 1 58 PHE QB . . 3.540 2.651 2.097 3.453 . 0 0 "[ . 1 . 2]" 1
753 1 58 PHE H 1 58 PHE QD . . 3.950 3.215 2.191 4.239 0.289 10 0 "[ . 1 . 2]" 1
754 1 58 PHE QB 1 59 LEU H . . 4.300 3.194 2.093 4.036 . 0 0 "[ . 1 . 2]" 1
755 1 58 PHE QB 1 59 LEU QB . . 4.650 4.404 3.802 5.017 0.367 17 0 "[ . 1 . 2]" 1
756 1 59 LEU H 1 59 LEU HB2 . . 3.600 2.708 2.215 3.931 0.331 3 0 "[ . 1 . 2]" 1
757 1 59 LEU H 1 59 LEU QB . . 3.140 2.449 2.156 3.329 0.189 3 0 "[ . 1 . 2]" 1
758 1 59 LEU H 1 59 LEU HB3 . . 3.600 3.140 2.412 3.836 0.236 10 0 "[ . 1 . 2]" 1
759 1 59 LEU H 1 59 LEU QD . . 4.330 3.177 1.898 4.122 . 0 0 "[ . 1 . 2]" 1
760 1 59 LEU H 1 59 LEU HG . . 4.650 3.924 2.392 4.767 0.117 4 0 "[ . 1 . 2]" 1
761 1 59 LEU H 1 60 GLU H . . 4.770 3.592 2.636 4.616 . 0 0 "[ . 1 . 2]" 1
762 1 59 LEU HA 1 59 LEU MD1 . . 3.840 2.868 2.096 3.889 0.049 2 0 "[ . 1 . 2]" 1
763 1 59 LEU HA 1 59 LEU QD . . 3.160 2.580 1.998 3.443 0.283 15 0 "[ . 1 . 2]" 1
764 1 59 LEU HA 1 59 LEU MD2 . . 3.840 3.458 2.158 4.115 0.275 3 0 "[ . 1 . 2]" 1
765 1 59 LEU HA 1 59 LEU HG . . 3.690 3.022 2.297 3.829 0.139 19 0 "[ . 1 . 2]" 1
766 1 59 LEU QB 1 59 LEU QD . . 2.770 1.971 1.905 2.102 . 0 0 "[ . 1 . 2]" 1
767 1 59 LEU HB2 1 60 GLU H . . 4.440 3.555 2.150 4.587 0.147 10 0 "[ . 1 . 2]" 1
768 1 59 LEU HB3 1 60 GLU H . . 4.440 3.115 1.988 4.442 0.002 10 0 "[ . 1 . 2]" 1
769 1 59 LEU QD 1 60 GLU H . . 3.930 3.344 1.845 4.337 0.407 14 0 "[ . 1 . 2]" 1
770 1 59 LEU QD 1 60 GLU HA . . 5.000 4.509 2.879 5.243 0.243 1 0 "[ . 1 . 2]" 1
771 1 59 LEU HG 1 60 GLU H . . 4.960 4.032 1.882 5.039 0.079 1 0 "[ . 1 . 2]" 1
772 1 60 GLU H 1 60 GLU HB2 . . 4.020 2.720 2.239 3.644 . 0 0 "[ . 1 . 2]" 1
773 1 60 GLU H 1 60 GLU QB . . 3.350 2.573 2.217 3.383 0.033 7 0 "[ . 1 . 2]" 1
774 1 60 GLU H 1 60 GLU HB3 . . 4.020 3.610 2.800 4.069 0.049 5 0 "[ . 1 . 2]" 1
775 1 60 GLU H 1 60 GLU QG . . 3.620 2.611 1.894 3.457 . 0 0 "[ . 1 . 2]" 1
776 1 60 GLU HA 1 60 GLU QG . . 3.570 2.703 2.319 3.399 . 0 0 "[ . 1 . 2]" 1
777 1 60 GLU HA 1 61 LYS H . . 3.190 2.340 2.107 3.065 . 0 0 "[ . 1 . 2]" 1
778 1 60 GLU HA 1 61 LYS HA . . 5.050 4.549 4.368 4.849 . 0 0 "[ . 1 . 2]" 1
779 1 60 GLU HA 1 62 ASP H . . 4.850 3.639 3.218 4.255 . 0 0 "[ . 1 . 2]" 1
780 1 60 GLU QB 1 61 LYS H . . 3.930 3.500 2.594 3.893 . 0 0 "[ . 1 . 2]" 1
781 1 60 GLU QB 1 61 LYS QB . . 5.070 4.951 4.221 5.408 0.338 2 0 "[ . 1 . 2]" 1
782 1 60 GLU QB 1 63 LEU QB . . 5.180 2.958 2.143 3.856 . 0 0 "[ . 1 . 2]" 1
783 1 60 GLU HB2 1 61 LYS H . . 4.470 4.268 3.365 4.584 0.114 16 0 "[ . 1 . 2]" 1
784 1 60 GLU HB2 1 62 ASP H . . 5.010 4.347 2.868 5.591 0.581 10 2 "[ - + . 2]" 1
785 1 60 GLU HB3 1 61 LYS H . . 4.470 3.817 2.639 4.486 0.016 7 0 "[ . 1 . 2]" 1
786 1 60 GLU HB3 1 62 ASP H . . 5.010 3.511 2.523 4.993 . 0 0 "[ . 1 . 2]" 1
787 1 60 GLU QG 1 61 LYS H . . 4.800 4.517 3.875 4.904 0.104 5 0 "[ . 1 . 2]" 1
788 1 60 GLU QG 1 62 ASP H . . 4.980 4.866 4.157 5.417 0.437 8 0 "[ . 1 . 2]" 1
789 1 60 GLU QG 1 63 LEU H . . 5.500 4.860 3.095 5.410 . 0 0 "[ . 1 . 2]" 1
790 1 60 GLU QG 1 63 LEU QB . . 5.340 4.295 2.222 5.321 . 0 0 "[ . 1 . 2]" 1
791 1 61 LYS H 1 61 LYS QB . . 3.450 2.329 2.100 2.534 . 0 0 "[ . 1 . 2]" 1
792 1 61 LYS H 1 61 LYS QD . . 4.990 3.957 1.988 4.917 . 0 0 "[ . 1 . 2]" 1
793 1 61 LYS H 1 61 LYS QG . . 4.140 3.108 2.181 4.052 . 0 0 "[ . 1 . 2]" 1
794 1 61 LYS HA 1 61 LYS QD . . 4.600 4.029 2.222 4.592 . 0 0 "[ . 1 . 2]" 1
795 1 61 LYS HA 1 61 LYS QG . . 3.950 2.724 2.287 3.484 . 0 0 "[ . 1 . 2]" 1
796 1 61 LYS HA 1 63 LEU H . . 4.850 3.851 3.508 4.084 . 0 0 "[ . 1 . 2]" 1
797 1 61 LYS HA 1 64 VAL H . . 4.490 3.291 2.787 3.771 . 0 0 "[ . 1 . 2]" 1
798 1 61 LYS HA 1 64 VAL HB . . 4.430 3.121 2.200 4.068 . 0 0 "[ . 1 . 2]" 1
799 1 61 LYS HA 1 64 VAL MG2 . . 3.960 2.411 2.189 2.763 . 0 0 "[ . 1 . 2]" 1
800 1 61 LYS QB 1 62 ASP H . . 3.710 3.220 2.765 3.788 0.078 7 0 "[ . 1 . 2]" 1
801 1 61 LYS QB 1 62 ASP QB . . 5.340 4.655 4.080 5.455 0.115 13 0 "[ . 1 . 2]" 1
802 1 61 LYS QE 1 61 LYS QG . . 3.450 2.432 2.107 2.898 . 0 0 "[ . 1 . 2]" 1
803 1 61 LYS QG 1 62 ASP H . . 4.700 3.703 2.242 4.787 0.087 1 0 "[ . 1 . 2]" 1
804 1 62 ASP H 1 62 ASP HB2 . . 3.850 2.507 2.393 3.579 . 0 0 "[ . 1 . 2]" 1
805 1 62 ASP H 1 62 ASP QB . . 3.270 2.288 2.192 2.561 . 0 0 "[ . 1 . 2]" 1
806 1 62 ASP H 1 62 ASP HB3 . . 3.850 2.855 2.439 3.618 . 0 0 "[ . 1 . 2]" 1
807 1 62 ASP H 1 63 LEU H . . 3.770 2.748 2.605 2.855 . 0 0 "[ . 1 . 2]" 1
808 1 62 ASP QB 1 63 LEU QB . . 4.670 4.205 3.698 5.150 0.480 7 0 "[ . 1 . 2]" 1
809 1 62 ASP HB2 1 63 LEU H . . 4.680 3.815 2.975 4.215 . 0 0 "[ . 1 . 2]" 1
810 1 62 ASP HB3 1 63 LEU H . . 4.680 3.335 2.755 4.263 . 0 0 "[ . 1 . 2]" 1
811 1 63 LEU H 1 63 LEU HB2 . . 3.690 2.311 2.060 2.654 . 0 0 "[ . 1 . 2]" 1
812 1 63 LEU H 1 63 LEU HB3 . . 3.690 2.908 2.395 3.613 . 0 0 "[ . 1 . 2]" 1
813 1 63 LEU H 1 63 LEU MD1 . . 4.600 4.074 3.703 4.381 . 0 0 "[ . 1 . 2]" 1
814 1 63 LEU H 1 63 LEU QD . . 4.010 3.537 2.669 3.802 . 0 0 "[ . 1 . 2]" 1
815 1 63 LEU H 1 63 LEU MD2 . . 4.600 3.988 2.699 4.298 . 0 0 "[ . 1 . 2]" 1
816 1 63 LEU H 1 63 LEU HG . . 4.690 4.166 2.910 4.589 . 0 0 "[ . 1 . 2]" 1
817 1 63 LEU H 1 64 VAL H . . 3.270 2.473 2.290 2.647 . 0 0 "[ . 1 . 2]" 1
818 1 63 LEU H 1 64 VAL MG2 . . 4.230 3.702 3.406 3.987 . 0 0 "[ . 1 . 2]" 1
819 1 63 LEU H 1 66 PRO QG . . 5.350 5.194 5.001 5.380 0.030 11 0 "[ . 1 . 2]" 1
820 1 63 LEU HA 1 63 LEU MD1 . . 4.160 2.587 2.094 3.865 . 0 0 "[ . 1 . 2]" 1
821 1 63 LEU HA 1 63 LEU QD . . 3.240 2.087 1.940 2.207 . 0 0 "[ . 1 . 2]" 1
822 1 63 LEU HA 1 63 LEU MD2 . . 4.160 3.027 2.111 3.917 . 0 0 "[ . 1 . 2]" 1
823 1 63 LEU HA 1 66 PRO HB3 . . 5.500 5.548 5.270 5.810 0.310 11 0 "[ . 1 . 2]" 1
824 1 63 LEU HA 1 66 PRO HD2 . . 4.390 2.924 2.594 3.174 . 0 0 "[ . 1 . 2]" 1
825 1 63 LEU HA 1 66 PRO HD3 . . 4.390 4.150 3.870 4.382 . 0 0 "[ . 1 . 2]" 1
826 1 63 LEU HA 1 66 PRO HG2 . . 4.550 2.943 2.557 3.341 . 0 0 "[ . 1 . 2]" 1
827 1 63 LEU HA 1 66 PRO QG . . 3.960 2.767 2.457 3.072 . 0 0 "[ . 1 . 2]" 1
828 1 63 LEU HA 1 66 PRO HG3 . . 4.550 3.374 3.150 3.596 . 0 0 "[ . 1 . 2]" 1
829 1 63 LEU QB 1 63 LEU QD . . 2.770 1.984 1.927 2.094 . 0 0 "[ . 1 . 2]" 1
830 1 63 LEU QB 1 64 VAL H . . 3.960 3.044 2.884 3.233 . 0 0 "[ . 1 . 2]" 1
831 1 63 LEU QB 1 64 VAL MG2 . . 4.310 3.338 3.012 3.722 . 0 0 "[ . 1 . 2]" 1
832 1 63 LEU QB 1 66 PRO QG . . 4.600 4.343 3.770 4.687 0.087 11 0 "[ . 1 . 2]" 1
833 1 63 LEU HB2 1 64 VAL H . . 4.620 3.774 3.094 4.161 . 0 0 "[ . 1 . 2]" 1
834 1 63 LEU HB3 1 64 VAL H . . 4.620 3.319 2.982 3.915 . 0 0 "[ . 1 . 2]" 1
835 1 63 LEU QD 1 66 PRO HB2 . . 4.170 4.424 4.121 4.646 0.476 5 0 "[ . 1 . 2]" 1
836 1 63 LEU QD 1 66 PRO QG . . 5.060 2.734 2.464 2.922 . 0 0 "[ . 1 . 2]" 1
837 1 64 VAL H 1 64 VAL HB . . 3.310 2.483 2.267 2.580 . 0 0 "[ . 1 . 2]" 1
838 1 64 VAL H 1 64 VAL MG1 . . 4.000 3.789 3.725 3.821 . 0 0 "[ . 1 . 2]" 1
839 1 64 VAL H 1 64 VAL MG2 . . 3.130 2.258 2.126 2.432 . 0 0 "[ . 1 . 2]" 1
840 1 64 VAL H 1 65 GLU H . . 3.750 2.638 2.460 2.864 . 0 0 "[ . 1 . 2]" 1
841 1 64 VAL H 1 66 PRO HD2 . . 5.040 3.785 3.598 3.943 . 0 0 "[ . 1 . 2]" 1
842 1 64 VAL H 1 66 PRO QD . . 4.420 3.715 3.534 3.868 . 0 0 "[ . 1 . 2]" 1
843 1 64 VAL H 1 66 PRO HD3 . . 5.040 5.396 5.179 5.599 0.559 3 2 "[ + . 1 . - 2]" 1
844 1 64 VAL HA 1 64 VAL MG1 . . 3.660 2.428 2.349 2.668 . 0 0 "[ . 1 . 2]" 1
845 1 64 VAL HA 1 64 VAL MG2 . . 3.270 2.354 2.250 2.422 . 0 0 "[ . 1 . 2]" 1
846 1 64 VAL HA 1 67 LEU H . . 4.300 3.507 3.269 3.821 . 0 0 "[ . 1 . 2]" 1
847 1 64 VAL HA 1 67 LEU HB2 . . 4.240 3.230 2.544 3.652 . 0 0 "[ . 1 . 2]" 1
848 1 64 VAL HA 1 67 LEU QB . . 3.380 2.218 2.082 2.374 . 0 0 "[ . 1 . 2]" 1
849 1 64 VAL HA 1 67 LEU HB3 . . 4.240 2.267 2.107 2.411 . 0 0 "[ . 1 . 2]" 1
850 1 64 VAL HA 1 67 LEU MD1 . . 5.130 4.460 3.094 4.929 . 0 0 "[ . 1 . 2]" 1
851 1 64 VAL HA 1 67 LEU QD . . 3.800 2.761 2.667 2.913 . 0 0 "[ . 1 . 2]" 1
852 1 64 VAL HA 1 67 LEU MD2 . . 5.130 2.833 2.679 3.245 . 0 0 "[ . 1 . 2]" 1
853 1 64 VAL HA 1 68 CYS H . . 4.920 3.974 3.697 4.572 . 0 0 "[ . 1 . 2]" 1
854 1 64 VAL HB 1 65 GLU H . . 3.020 3.001 2.763 3.364 0.344 7 0 "[ . 1 . 2]" 1
855 1 64 VAL MG1 1 65 GLU H . . 4.020 3.678 3.350 3.992 . 0 0 "[ . 1 . 2]" 1
856 1 64 VAL MG1 1 65 GLU HA . . 4.250 3.840 3.562 4.248 . 0 0 "[ . 1 . 2]" 1
857 1 64 VAL MG1 1 68 CYS H . . 4.690 3.955 3.596 4.783 0.093 7 0 "[ . 1 . 2]" 1
858 1 64 VAL MG1 1 68 CYS QB . . 5.100 3.504 2.641 4.818 . 0 0 "[ . 1 . 2]" 1
859 1 64 VAL MG2 1 67 LEU QD . . 4.170 3.056 2.813 3.263 . 0 0 "[ . 1 . 2]" 1
860 1 65 GLU H 1 65 GLU QB . . 3.080 2.220 2.116 2.339 . 0 0 "[ . 1 . 2]" 1
861 1 65 GLU H 1 65 GLU HG2 . . 4.220 3.430 2.716 4.325 0.105 11 0 "[ . 1 . 2]" 1
862 1 65 GLU H 1 65 GLU HG3 . . 4.220 3.503 2.577 4.240 0.020 11 0 "[ . 1 . 2]" 1
863 1 65 GLU H 1 66 PRO HD2 . . 3.650 2.465 2.269 2.613 . 0 0 "[ . 1 . 2]" 1
864 1 65 GLU H 1 66 PRO QD . . 3.110 2.426 2.242 2.567 . 0 0 "[ . 1 . 2]" 1
865 1 65 GLU H 1 66 PRO HD3 . . 3.650 3.624 3.509 3.758 0.108 11 0 "[ . 1 . 2]" 1
866 1 65 GLU HA 1 65 GLU HG2 . . 4.000 2.530 2.239 3.571 . 0 0 "[ . 1 . 2]" 1
867 1 65 GLU HA 1 65 GLU QG . . 3.490 2.397 2.175 2.679 . 0 0 "[ . 1 . 2]" 1
868 1 65 GLU HA 1 65 GLU HG3 . . 4.000 3.245 2.376 3.682 . 0 0 "[ . 1 . 2]" 1
869 1 65 GLU HA 1 68 CYS H . . 4.710 3.792 3.492 3.936 . 0 0 "[ . 1 . 2]" 1
870 1 65 GLU HA 1 68 CYS HB2 . . 5.200 4.151 3.155 5.803 0.603 5 1 "[ + 1 . 2]" 1
871 1 65 GLU HA 1 68 CYS QB . . 4.330 3.338 2.885 4.309 . 0 0 "[ . 1 . 2]" 1
872 1 65 GLU HA 1 68 CYS HB3 . . 5.200 3.678 3.031 4.946 . 0 0 "[ . 1 . 2]" 1
873 1 65 GLU QB 1 66 PRO QD . . 3.480 2.079 2.026 2.152 . 0 0 "[ . 1 . 2]" 1
874 1 65 GLU QG 1 66 PRO QD . . 4.090 3.801 3.665 3.911 . 0 0 "[ . 1 . 2]" 1
875 1 66 PRO HA 1 69 ARG H . . 4.720 3.243 2.952 3.552 . 0 0 "[ . 1 . 2]" 1
876 1 66 PRO HA 1 69 ARG HB2 . . 4.150 2.683 2.095 3.605 . 0 0 "[ . 1 . 2]" 1
877 1 66 PRO HA 1 69 ARG QD . . 4.390 3.370 2.463 4.838 0.448 14 0 "[ . 1 . 2]" 1
878 1 66 PRO HA 1 69 ARG QG . . 4.570 3.718 2.389 4.776 0.206 8 0 "[ . 1 . 2]" 1
879 1 66 PRO HB2 1 67 LEU HA . . 4.470 4.448 4.306 4.613 0.143 7 0 "[ . 1 . 2]" 1
880 1 66 PRO HB2 1 69 ARG H . . 5.200 5.402 4.973 5.623 0.423 11 0 "[ . 1 . 2]" 1
881 1 66 PRO HB3 1 67 LEU H . . 4.670 4.307 4.180 4.420 . 0 0 "[ . 1 . 2]" 1
882 1 66 PRO HD2 1 67 LEU H . . 4.680 2.976 2.889 3.074 . 0 0 "[ . 1 . 2]" 1
883 1 66 PRO HD3 1 67 LEU H . . 4.680 4.085 4.022 4.129 . 0 0 "[ . 1 . 2]" 1
884 1 66 PRO QG 1 67 LEU H . . 4.130 2.538 2.345 2.822 . 0 0 "[ . 1 . 2]" 1
885 1 67 LEU H 1 67 LEU HB2 . . 3.890 2.525 2.403 2.584 . 0 0 "[ . 1 . 2]" 1
886 1 67 LEU H 1 67 LEU QB . . 3.270 2.211 2.176 2.241 . 0 0 "[ . 1 . 2]" 1
887 1 67 LEU H 1 67 LEU HB3 . . 3.890 2.446 2.365 2.499 . 0 0 "[ . 1 . 2]" 1
888 1 67 LEU H 1 67 LEU QD . . 4.220 3.747 3.713 3.776 . 0 0 "[ . 1 . 2]" 1
889 1 67 LEU H 1 67 LEU HG . . 4.640 4.484 4.454 4.530 . 0 0 "[ . 1 . 2]" 1
890 1 67 LEU H 1 68 CYS H . . 3.930 2.907 2.789 3.019 . 0 0 "[ . 1 . 2]" 1
891 1 67 LEU HA 1 67 LEU MD1 . . 4.130 2.473 2.193 3.587 . 0 0 "[ . 1 . 2]" 1
892 1 67 LEU HA 1 67 LEU QD . . 3.180 2.397 2.181 3.188 0.008 12 0 "[ . 1 . 2]" 1
893 1 67 LEU HA 1 67 LEU MD2 . . 4.130 3.842 3.536 3.936 . 0 0 "[ . 1 . 2]" 1
894 1 67 LEU HA 1 71 LEU QD . . 4.720 3.795 2.483 4.477 . 0 0 "[ . 1 . 2]" 1
895 1 67 LEU QB 1 67 LEU QD . . 2.830 1.952 1.893 1.972 . 0 0 "[ . 1 . 2]" 1
896 1 67 LEU QB 1 68 CYS H . . 3.560 2.565 2.327 3.077 . 0 0 "[ . 1 . 2]" 1
897 1 67 LEU HB2 1 68 CYS H . . 4.430 3.947 3.802 4.271 . 0 0 "[ . 1 . 2]" 1
898 1 67 LEU HB3 1 68 CYS H . . 4.430 2.600 2.348 3.155 . 0 0 "[ . 1 . 2]" 1
899 1 67 LEU QD 1 68 CYS H . . 4.760 3.665 2.870 4.260 . 0 0 "[ . 1 . 2]" 1
900 1 67 LEU QD 1 71 LEU H . . 4.520 4.246 3.692 4.861 0.341 4 0 "[ . 1 . 2]" 1
901 1 67 LEU QD 1 71 LEU QB . . 4.800 3.977 3.515 4.323 . 0 0 "[ . 1 . 2]" 1
902 1 67 LEU QD 1 71 LEU QD . . 2.940 2.197 1.997 2.450 . 0 0 "[ . 1 . 2]" 1
903 1 67 LEU QD 1 71 LEU HG . . 3.800 3.024 2.351 4.356 0.556 9 1 "[ . +1 . 2]" 1
904 1 67 LEU HG 1 68 CYS H . . 5.170 3.725 3.256 4.354 . 0 0 "[ . 1 . 2]" 1
905 1 67 LEU HG 1 71 LEU QB . . 5.340 4.526 3.947 5.223 . 0 0 "[ . 1 . 2]" 1
906 1 67 LEU HG 1 71 LEU MD1 . . 5.500 3.212 2.277 5.479 . 0 0 "[ . 1 . 2]" 1
907 1 67 LEU HG 1 71 LEU QD . . 4.110 2.856 2.264 3.935 . 0 0 "[ . 1 . 2]" 1
908 1 67 LEU HG 1 71 LEU MD2 . . 5.500 4.218 2.679 5.262 . 0 0 "[ . 1 . 2]" 1
909 1 68 CYS H 1 68 CYS HB2 . . 4.160 2.619 2.287 3.765 . 0 0 "[ . 1 . 2]" 1
910 1 68 CYS H 1 68 CYS QB . . 3.560 2.289 2.163 2.735 . 0 0 "[ . 1 . 2]" 1
911 1 68 CYS H 1 68 CYS HB3 . . 4.160 2.695 2.450 3.596 . 0 0 "[ . 1 . 2]" 1
912 1 68 CYS H 1 69 ARG H . . 3.680 2.781 2.409 2.948 . 0 0 "[ . 1 . 2]" 1
913 1 68 CYS H 1 69 ARG HB2 . . 4.980 4.912 4.372 5.355 0.375 8 0 "[ . 1 . 2]" 1
914 1 68 CYS HA 1 71 LEU H . . 4.140 3.929 3.390 4.343 0.203 4 0 "[ . 1 . 2]" 1
915 1 68 CYS HA 1 71 LEU QB . . 3.690 2.920 2.480 3.415 . 0 0 "[ . 1 . 2]" 1
916 1 68 CYS HA 1 71 LEU QD . . 3.940 3.269 2.526 4.206 0.266 1 0 "[ . 1 . 2]" 1
917 1 68 CYS HA 1 72 ASN H . . 4.770 3.993 3.734 4.262 . 0 0 "[ . 1 . 2]" 1
918 1 68 CYS QB 1 69 ARG H . . 3.810 2.688 2.340 3.626 . 0 0 "[ . 1 . 2]" 1
919 1 68 CYS HB2 1 69 ARG H . . 4.480 3.743 2.677 4.362 . 0 0 "[ . 1 . 2]" 1
920 1 68 CYS HB3 1 69 ARG H . . 4.480 2.881 2.365 4.052 . 0 0 "[ . 1 . 2]" 1
921 1 69 ARG H 1 69 ARG HB2 . . 3.580 2.432 2.185 2.640 . 0 0 "[ . 1 . 2]" 1
922 1 69 ARG H 1 69 ARG HB3 . . 3.820 3.348 2.556 3.680 . 0 0 "[ . 1 . 2]" 1
923 1 69 ARG H 1 69 ARG HG2 . . 4.570 3.902 2.119 4.643 0.073 6 0 "[ . 1 . 2]" 1
924 1 69 ARG H 1 69 ARG QG . . 3.910 3.127 2.104 4.021 0.111 8 0 "[ . 1 . 2]" 1
925 1 69 ARG H 1 69 ARG HG3 . . 4.570 3.460 2.343 4.487 . 0 0 "[ . 1 . 2]" 1
926 1 69 ARG H 1 70 ARG H . . 3.570 2.925 2.181 3.105 . 0 0 "[ . 1 . 2]" 1
927 1 69 ARG H 1 70 ARG QD . . 5.340 5.522 5.114 6.337 0.997 16 2 "[ . 1 - .+ 2]" 1
928 1 69 ARG HA 1 69 ARG HG2 . . 4.080 2.907 2.360 3.624 . 0 0 "[ . 1 . 2]" 1
929 1 69 ARG HA 1 69 ARG QG . . 3.480 2.403 2.282 3.085 . 0 0 "[ . 1 . 2]" 1
930 1 69 ARG HA 1 69 ARG HG3 . . 4.080 2.804 2.308 3.885 . 0 0 "[ . 1 . 2]" 1
931 1 69 ARG HA 1 72 ASN H . . 4.170 3.653 3.374 3.908 . 0 0 "[ . 1 . 2]" 1
932 1 69 ARG HA 1 72 ASN HB2 . . 4.240 3.795 3.494 4.145 . 0 0 "[ . 1 . 2]" 1
933 1 69 ARG HA 1 72 ASN HB3 . . 3.810 2.729 2.436 3.189 . 0 0 "[ . 1 . 2]" 1
934 1 69 ARG HB3 1 69 ARG HD2 . . 4.060 3.286 2.517 3.864 . 0 0 "[ . 1 . 2]" 1
935 1 69 ARG HB3 1 69 ARG HD3 . . 4.060 2.844 2.263 3.825 . 0 0 "[ . 1 . 2]" 1
936 1 69 ARG HB3 1 70 ARG H . . 3.960 3.041 2.423 3.569 . 0 0 "[ . 1 . 2]" 1
937 1 69 ARG HB3 1 70 ARG HA . . 4.860 4.251 3.943 4.580 . 0 0 "[ . 1 . 2]" 1
938 1 69 ARG HB3 1 70 ARG QD . . 4.060 3.640 3.052 4.700 0.640 16 2 "[ . 1 - .+ 2]" 1
939 1 69 ARG QG 1 70 ARG H . . 5.340 4.087 3.530 4.522 . 0 0 "[ . 1 . 2]" 1
940 1 70 ARG H 1 70 ARG HB2 . . 3.620 2.553 2.481 2.646 . 0 0 "[ . 1 . 2]" 1
941 1 70 ARG H 1 70 ARG HB3 . . 3.740 3.654 3.623 3.674 . 0 0 "[ . 1 . 2]" 1
942 1 70 ARG H 1 70 ARG HD2 . . 4.250 4.256 4.034 4.587 0.337 16 0 "[ . 1 . 2]" 1
943 1 70 ARG H 1 70 ARG QD . . 3.710 3.229 2.889 4.047 0.337 16 0 "[ . 1 . 2]" 1
944 1 70 ARG H 1 70 ARG HD3 . . 4.250 3.368 2.960 4.546 0.296 12 0 "[ . 1 . 2]" 1
945 1 70 ARG H 1 70 ARG HG2 . . 3.500 2.497 2.306 2.651 . 0 0 "[ . 1 . 2]" 1
946 1 70 ARG H 1 70 ARG HG3 . . 4.530 3.889 3.724 4.009 . 0 0 "[ . 1 . 2]" 1
947 1 70 ARG H 1 71 LEU H . . 3.560 2.791 2.663 2.872 . 0 0 "[ . 1 . 2]" 1
948 1 70 ARG HA 1 70 ARG HD2 . . 4.080 2.635 2.289 3.994 . 0 0 "[ . 1 . 2]" 1
949 1 70 ARG HA 1 70 ARG QD . . 3.340 2.232 2.120 2.905 . 0 0 "[ . 1 . 2]" 1
950 1 70 ARG HA 1 70 ARG HD3 . . 4.080 2.503 2.190 2.983 . 0 0 "[ . 1 . 2]" 1
951 1 70 ARG HA 1 72 ASN H . . 5.180 4.598 4.235 4.771 . 0 0 "[ . 1 . 2]" 1
952 1 70 ARG HA 1 73 THR H . . 4.250 3.460 3.051 3.827 . 0 0 "[ . 1 . 2]" 1
953 1 70 ARG HA 1 73 THR HB . . 3.640 3.158 2.653 4.321 0.681 6 2 "[ .+ 1 . -]" 1
954 1 70 ARG HA 1 73 THR MG . . 5.420 3.725 2.226 4.700 . 0 0 "[ . 1 . 2]" 1
955 1 70 ARG HA 1 74 LEU H . . 5.040 4.414 4.154 4.648 . 0 0 "[ . 1 . 2]" 1
956 1 71 LEU H 1 71 LEU QB . . 3.200 2.378 2.198 2.498 . 0 0 "[ . 1 . 2]" 1
957 1 71 LEU H 1 71 LEU MD1 . . 4.090 3.625 2.211 4.195 0.105 1 0 "[ . 1 . 2]" 1
958 1 71 LEU H 1 71 LEU QD . . 3.580 2.997 2.063 3.270 . 0 0 "[ . 1 . 2]" 1
959 1 71 LEU H 1 71 LEU MD2 . . 4.090 3.394 2.070 3.899 . 0 0 "[ . 1 . 2]" 1
960 1 71 LEU H 1 71 LEU HG . . 3.900 2.858 2.425 4.193 0.293 9 0 "[ . 1 . 2]" 1
961 1 71 LEU H 1 72 ASN H . . 3.800 2.791 2.678 2.906 . 0 0 "[ . 1 . 2]" 1
962 1 71 LEU HA 1 71 LEU QD . . 3.140 2.166 2.068 2.542 . 0 0 "[ . 1 . 2]" 1
963 1 71 LEU HA 1 73 THR H . . 4.900 4.402 3.822 4.762 . 0 0 "[ . 1 . 2]" 1
964 1 71 LEU HA 1 74 LEU H . . 4.100 3.857 3.440 4.089 . 0 0 "[ . 1 . 2]" 1
965 1 71 LEU HA 1 74 LEU QB . . 4.690 3.473 2.893 3.908 . 0 0 "[ . 1 . 2]" 1
966 1 71 LEU HA 1 74 LEU QD . . 4.220 4.025 3.695 4.247 0.027 18 0 "[ . 1 . 2]" 1
967 1 71 LEU QB 1 72 ASN H . . 3.580 2.553 2.394 2.818 . 0 0 "[ . 1 . 2]" 1
968 1 71 LEU HB2 1 72 ASN H . . 4.360 2.638 2.450 2.917 . 0 0 "[ . 1 . 2]" 1
969 1 71 LEU HB3 1 72 ASN H . . 4.360 3.432 3.040 3.729 . 0 0 "[ . 1 . 2]" 1
970 1 71 LEU QD 1 74 LEU H . . 5.310 5.105 4.842 5.272 . 0 0 "[ . 1 . 2]" 1
971 1 71 LEU QD 1 74 LEU QD . . 3.990 4.073 3.916 4.249 0.259 2 0 "[ . 1 . 2]" 1
972 1 72 ASN H 1 72 ASN HB2 . . 3.400 2.455 2.374 2.581 . 0 0 "[ . 1 . 2]" 1
973 1 72 ASN H 1 72 ASN HB3 . . 3.390 2.513 2.416 2.605 . 0 0 "[ . 1 . 2]" 1
974 1 72 ASN H 1 73 THR H . . 3.650 2.882 2.698 3.049 . 0 0 "[ . 1 . 2]" 1
975 1 72 ASN HA 1 75 ASN H . . 4.120 3.454 3.227 3.853 . 0 0 "[ . 1 . 2]" 1
976 1 72 ASN HA 1 75 ASN QB . . 3.700 2.562 2.148 3.670 . 0 0 "[ . 1 . 2]" 1
977 1 72 ASN HA 1 75 ASN HD21 . . 4.900 3.497 2.550 4.419 . 0 0 "[ . 1 . 2]" 1
978 1 72 ASN HA 1 75 ASN QD . . 4.280 3.236 2.467 4.204 . 0 0 "[ . 1 . 2]" 1
979 1 72 ASN HA 1 75 ASN HD22 . . 4.900 4.210 2.991 5.265 0.365 9 0 "[ . 1 . 2]" 1
980 1 72 ASN HA 1 76 LYS H . . 4.810 4.580 4.192 5.019 0.209 17 0 "[ . 1 . 2]" 1
981 1 72 ASN HB2 1 73 THR H . . 4.960 4.096 3.933 4.390 . 0 0 "[ . 1 . 2]" 1
982 1 72 ASN HB3 1 73 THR H . . 3.470 2.917 2.683 3.596 0.126 6 0 "[ . 1 . 2]" 1
983 1 73 THR H 1 73 THR HB . . 3.390 2.621 2.430 2.879 . 0 0 "[ . 1 . 2]" 1
984 1 73 THR H 1 73 THR MG . . 3.870 3.521 2.333 3.861 . 0 0 "[ . 1 . 2]" 1
985 1 73 THR H 1 74 LEU H . . 3.840 2.887 2.306 3.068 . 0 0 "[ . 1 . 2]" 1
986 1 73 THR HA 1 73 THR MG . . 3.280 2.552 2.289 3.263 . 0 0 "[ . 1 . 2]" 1
987 1 73 THR HA 1 76 LYS H . . 4.460 4.079 3.832 4.242 . 0 0 "[ . 1 . 2]" 1
988 1 73 THR HA 1 76 LYS HB2 . . 4.660 4.043 3.456 4.573 . 0 0 "[ . 1 . 2]" 1
989 1 73 THR HA 1 76 LYS QB . . 4.010 3.678 3.280 3.947 . 0 0 "[ . 1 . 2]" 1
990 1 73 THR HA 1 76 LYS HB3 . . 4.660 4.310 3.663 4.885 0.225 17 0 "[ . 1 . 2]" 1
991 1 73 THR HA 1 76 LYS QG . . 5.340 5.415 4.543 5.962 0.622 5 1 "[ + 1 . 2]" 1
992 1 73 THR HB 1 74 LEU H . . 3.800 2.749 2.218 4.118 0.318 8 0 "[ . 1 . 2]" 1
993 1 73 THR HB 1 74 LEU QD . . 4.260 3.549 2.429 5.068 0.808 1 1 "[+ . 1 . 2]" 1
994 1 73 THR MG 1 74 LEU H . . 3.890 3.168 2.357 3.534 . 0 0 "[ . 1 . 2]" 1
995 1 73 THR MG 1 74 LEU QD . . 4.000 2.758 2.080 3.634 . 0 0 "[ . 1 . 2]" 1
996 1 73 THR MG 1 76 LYS QB . . 5.340 4.459 3.935 5.493 0.153 1 0 "[ . 1 . 2]" 1
997 1 74 LEU H 1 74 LEU HB2 . . 4.020 2.233 2.110 2.421 . 0 0 "[ . 1 . 2]" 1
998 1 74 LEU H 1 74 LEU HB3 . . 4.020 3.517 3.418 3.623 . 0 0 "[ . 1 . 2]" 1
999 1 74 LEU H 1 74 LEU MD1 . . 4.060 3.180 2.524 3.882 . 0 0 "[ . 1 . 2]" 1
1000 1 74 LEU H 1 74 LEU MD2 . . 4.060 3.630 2.223 4.127 0.067 8 0 "[ . 1 . 2]" 1
1001 1 74 LEU H 1 74 LEU HG . . 4.420 3.660 2.498 4.336 . 0 0 "[ . 1 . 2]" 1
1002 1 74 LEU H 1 75 ASN H . . 3.940 2.657 2.486 2.798 . 0 0 "[ . 1 . 2]" 1
1003 1 74 LEU HA 1 74 LEU MD1 . . 4.550 2.817 2.113 3.872 . 0 0 "[ . 1 . 2]" 1
1004 1 74 LEU HA 1 74 LEU QD . . 3.250 2.189 2.069 2.369 . 0 0 "[ . 1 . 2]" 1
1005 1 74 LEU HA 1 74 LEU MD2 . . 4.550 3.061 2.083 3.789 . 0 0 "[ . 1 . 2]" 1
1006 1 74 LEU HA 1 74 LEU HG . . 4.080 2.819 2.373 3.784 . 0 0 "[ . 1 . 2]" 1
1007 1 74 LEU HA 1 77 CYS H . . 4.310 3.393 3.215 3.581 . 0 0 "[ . 1 . 2]" 1
1008 1 74 LEU HA 1 77 CYS QB . . 3.910 3.215 2.451 3.798 . 0 0 "[ . 1 . 2]" 1
1009 1 74 LEU HB2 1 75 ASN H . . 4.360 3.167 2.943 3.416 . 0 0 "[ . 1 . 2]" 1
1010 1 74 LEU HB3 1 75 ASN H . . 4.360 3.634 3.326 3.959 . 0 0 "[ . 1 . 2]" 1
1011 1 74 LEU QD 1 75 ASN H . . 4.930 4.237 3.978 4.390 . 0 0 "[ . 1 . 2]" 1
1012 1 74 LEU QD 1 77 CYS QB . . 4.320 3.721 3.204 4.206 . 0 0 "[ . 1 . 2]" 1
1013 1 74 LEU HG 1 75 ASN H . . 5.260 5.096 4.613 5.467 0.207 5 0 "[ . 1 . 2]" 1
1014 1 75 ASN H 1 75 ASN HB2 . . 3.820 2.506 2.061 3.596 . 0 0 "[ . 1 . 2]" 1
1015 1 75 ASN H 1 75 ASN QB . . 3.270 2.267 2.039 2.510 . 0 0 "[ . 1 . 2]" 1
1016 1 75 ASN H 1 75 ASN HB3 . . 3.820 3.100 2.351 3.651 . 0 0 "[ . 1 . 2]" 1
1017 1 75 ASN H 1 75 ASN HD21 . . 5.500 4.189 2.423 4.979 . 0 0 "[ . 1 . 2]" 1
1018 1 75 ASN H 1 75 ASN HD22 . . 5.500 5.010 4.132 5.790 0.290 2 0 "[ . 1 . 2]" 1
1019 1 75 ASN H 1 76 LYS H . . 3.870 2.855 2.729 2.928 . 0 0 "[ . 1 . 2]" 1
1020 1 75 ASN HA 1 78 ALA H . . 5.260 3.266 2.988 3.619 . 0 0 "[ . 1 . 2]" 1
1021 1 75 ASN HA 1 78 ALA MB . . 3.970 2.250 2.087 2.549 . 0 0 "[ . 1 . 2]" 1
1022 1 75 ASN QB 1 76 LYS H . . 3.580 2.873 2.504 3.576 . 0 0 "[ . 1 . 2]" 1
1023 1 75 ASN HB2 1 76 LYS H . . 4.080 3.448 2.740 4.119 0.039 16 0 "[ . 1 . 2]" 1
1024 1 75 ASN HB3 1 76 LYS H . . 4.080 3.280 2.547 3.938 . 0 0 "[ . 1 . 2]" 1
1025 1 76 LYS H 1 76 LYS HB2 . . 3.520 2.355 2.073 2.581 . 0 0 "[ . 1 . 2]" 1
1026 1 76 LYS H 1 76 LYS HB3 . . 3.520 2.659 2.473 2.915 . 0 0 "[ . 1 . 2]" 1
1027 1 76 LYS H 1 76 LYS HG2 . . 4.700 4.551 4.453 4.625 . 0 0 "[ . 1 . 2]" 1
1028 1 76 LYS H 1 76 LYS HG3 . . 4.700 4.430 4.138 4.544 . 0 0 "[ . 1 . 2]" 1
1029 1 76 LYS H 1 77 CYS H . . 3.630 2.864 2.705 2.953 . 0 0 "[ . 1 . 2]" 1
1030 1 76 LYS H 1 78 ALA H . . 4.760 4.192 4.011 4.415 . 0 0 "[ . 1 . 2]" 1
1031 1 76 LYS HA 1 76 LYS HG2 . . 4.010 3.336 2.617 3.885 . 0 0 "[ . 1 . 2]" 1
1032 1 76 LYS HA 1 76 LYS QG . . 3.460 2.627 2.303 3.110 . 0 0 "[ . 1 . 2]" 1
1033 1 76 LYS HA 1 76 LYS HG3 . . 4.010 2.785 2.363 3.286 . 0 0 "[ . 1 . 2]" 1
1034 1 76 LYS HA 1 78 ALA H . . 4.780 4.762 4.411 5.119 0.339 19 0 "[ . 1 . 2]" 1
1035 1 76 LYS HA 1 79 SER H . . 4.370 4.170 3.508 4.553 0.183 13 0 "[ . 1 . 2]" 1
1036 1 76 LYS QB 1 77 CYS H . . 3.600 2.506 2.306 2.876 . 0 0 "[ . 1 . 2]" 1
1037 1 76 LYS HB2 1 76 LYS QE . . 4.570 3.155 2.149 4.270 . 0 0 "[ . 1 . 2]" 1
1038 1 76 LYS HB2 1 77 CYS H . . 4.260 3.773 3.617 3.941 . 0 0 "[ . 1 . 2]" 1
1039 1 76 LYS HB3 1 76 LYS QE . . 4.570 3.674 2.103 4.549 . 0 0 "[ . 1 . 2]" 1
1040 1 76 LYS HB3 1 77 CYS H . . 4.260 2.546 2.330 2.998 . 0 0 "[ . 1 . 2]" 1
1041 1 76 LYS QG 1 77 CYS QB . . 5.340 4.843 4.141 5.657 0.317 16 0 "[ . 1 . 2]" 1
1042 1 77 CYS H 1 77 CYS QB . . 3.550 2.362 2.206 2.479 . 0 0 "[ . 1 . 2]" 1
1043 1 77 CYS H 1 78 ALA H . . 3.290 2.561 2.256 2.867 . 0 0 "[ . 1 . 2]" 1
1044 1 77 CYS HA 1 79 SER H . . 4.860 4.388 3.792 4.809 . 0 0 "[ . 1 . 2]" 1
1045 1 77 CYS QB 1 78 ALA H . . 3.840 2.662 2.357 3.030 . 0 0 "[ . 1 . 2]" 1
1046 1 78 ALA H 1 78 ALA MB . . 3.100 2.203 2.180 2.221 . 0 0 "[ . 1 . 2]" 1
1047 1 78 ALA H 1 79 SER H . . 3.740 2.829 2.575 2.969 . 0 0 "[ . 1 . 2]" 1
1048 1 78 ALA MB 1 79 SER H . . 3.750 2.745 2.458 2.996 . 0 0 "[ . 1 . 2]" 1
1049 1 79 SER H 1 79 SER QB . . 3.410 2.533 2.206 3.360 . 0 0 "[ . 1 . 2]" 1
1050 1 79 SER QB 1 80 MET H . . 4.520 3.181 2.374 4.077 . 0 0 "[ . 1 . 2]" 1
1051 1 80 MET H 1 80 MET HB2 . . 4.140 2.693 2.205 3.640 . 0 0 "[ . 1 . 2]" 1
1052 1 80 MET H 1 80 MET QB . . 3.370 2.372 2.177 2.670 . 0 0 "[ . 1 . 2]" 1
1053 1 80 MET H 1 80 MET HB3 . . 4.140 2.943 2.359 3.685 . 0 0 "[ . 1 . 2]" 1
1054 1 80 MET H 1 80 MET HG2 . . 4.740 3.881 1.912 4.674 . 0 0 "[ . 1 . 2]" 1
1055 1 80 MET H 1 80 MET QG . . 4.080 3.451 1.892 4.123 0.043 10 0 "[ . 1 . 2]" 1
1056 1 80 MET H 1 80 MET HG3 . . 4.740 4.057 2.371 4.683 . 0 0 "[ . 1 . 2]" 1
1057 1 80 MET QB 1 81 LYS H . . 4.330 3.207 1.967 4.051 . 0 0 "[ . 1 . 2]" 1
1058 1 80 MET HB2 1 81 LYS H . . 4.990 3.909 1.977 4.615 . 0 0 "[ . 1 . 2]" 1
1059 1 80 MET HB3 1 81 LYS H . . 4.990 3.630 1.993 4.535 . 0 0 "[ . 1 . 2]" 1
1060 1 81 LYS H 1 81 LYS HB2 . . 4.100 2.820 2.256 3.945 . 0 0 "[ . 1 . 2]" 1
1061 1 81 LYS H 1 81 LYS QB . . 3.550 2.462 2.159 3.225 . 0 0 "[ . 1 . 2]" 1
1062 1 81 LYS H 1 81 LYS HB3 . . 4.100 3.028 2.423 3.875 . 0 0 "[ . 1 . 2]" 1
1063 1 81 LYS H 1 81 LYS QG . . 4.030 3.295 2.160 4.072 0.042 3 0 "[ . 1 . 2]" 1
1064 1 81 LYS HA 1 81 LYS QD . . 4.360 3.436 2.167 4.501 0.141 14 0 "[ . 1 . 2]" 1
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