NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
494756 |
2kro   |
16643 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kro
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 1006
_Distance_constraint_stats_list.Viol_count 639
_Distance_constraint_stats_list.Viol_total 1213.256
_Distance_constraint_stats_list.Viol_max 1.997
_Distance_constraint_stats_list.Viol_rms 0.0734
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0121
_Distance_constraint_stats_list.Viol_average_violations_only 0.1899
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ALA 4.515 1.215 9 2 "[- . +1]"
1 3 MET 0.357 0.107 9 0 "[ . 1]"
1 4 GLY 0.000 0.000 . 0 "[ . 1]"
1 5 ALA 0.340 0.136 9 0 "[ . 1]"
1 6 LYS 1.103 0.273 5 0 "[ . 1]"
1 7 GLU 2.264 0.391 6 0 "[ . 1]"
1 8 TYR 9.381 0.946 10 4 "[ ** -+]"
1 9 CYS 2.171 0.476 9 0 "[ . 1]"
1 10 ARG 0.000 0.000 . 0 "[ . 1]"
1 11 THR 0.409 0.195 1 0 "[ . 1]"
1 12 LEU 1.287 0.369 1 0 "[ . 1]"
1 13 PHE 0.536 0.369 1 0 "[ . 1]"
1 14 PRO 0.030 0.030 10 0 "[ . 1]"
1 15 TYR 2.545 0.399 4 0 "[ . 1]"
1 16 THR 1.242 0.160 5 0 "[ . 1]"
1 17 GLY 3.540 0.520 5 1 "[ + 1]"
1 18 THR 5.499 0.863 6 2 "[ - .+ 1]"
1 19 ASN 7.905 0.897 6 3 "[ - .+ *]"
1 20 GLU 1.091 0.192 10 0 "[ . 1]"
1 21 ASP 1.666 0.327 6 0 "[ . 1]"
1 22 GLU 10.917 0.897 6 3 "[ -+ *]"
1 23 LEU 19.378 1.475 2 3 "[-+ . *1]"
1 24 THR 2.028 0.234 4 0 "[ . 1]"
1 25 PHE 0.000 0.000 . 0 "[ . 1]"
1 26 ARG 2.781 0.365 7 0 "[ . 1]"
1 27 GLU 2.989 0.643 1 1 "[+ . 1]"
1 28 GLY 0.000 0.000 . 0 "[ . 1]"
1 29 GLU 3.158 0.291 1 0 "[ . 1]"
1 30 ILE 4.779 0.324 4 0 "[ . 1]"
1 31 ILE 9.362 1.175 1 5 "[+ ** -*]"
1 32 HIS 0.119 0.058 6 0 "[ . 1]"
1 33 LEU 1.453 0.319 4 0 "[ . 1]"
1 34 ILE 1.329 0.458 5 0 "[ . 1]"
1 35 SER 1.985 0.546 5 1 "[ + 1]"
1 36 LYS 4.805 1.215 9 2 "[- . +1]"
1 37 GLU 1.722 0.507 3 1 "[ + . 1]"
1 38 THR 3.978 0.507 3 1 "[ + . 1]"
1 39 GLY 1.917 0.319 8 0 "[ . 1]"
1 40 GLU 1.023 0.285 3 0 "[ . 1]"
1 41 ALA 1.170 0.131 7 0 "[ . 1]"
1 42 GLY 2.920 1.750 5 1 "[ + 1]"
1 43 TRP 9.656 1.997 5 2 "[ + - 1]"
1 44 TRP 8.827 0.718 7 3 "[- . + *1]"
1 45 LYS 4.490 0.546 5 1 "[ + 1]"
1 46 GLY 0.137 0.062 1 0 "[ . 1]"
1 47 GLU 2.889 0.792 6 2 "[ .+ -]"
1 48 LEU 3.453 0.328 7 0 "[ . 1]"
1 49 ASN 0.494 0.161 7 0 "[ . 1]"
1 50 GLY 4.499 0.792 6 2 "[ .+ -]"
1 51 LYS 5.912 0.605 1 2 "[+ -. 1]"
1 52 GLU 8.348 1.208 9 3 "[ * -. +1]"
1 53 GLY 4.885 1.007 2 2 "[ + . *1]"
1 54 VAL 11.568 1.475 2 2 "[ + . -1]"
1 55 PHE 16.479 1.175 1 2 "[+* . 1]"
1 56 PRO 0.599 0.187 4 0 "[ . 1]"
1 57 ASP 11.084 1.997 5 3 "[ + * -1]"
1 58 ASN 1.080 0.488 5 0 "[ . 1]"
1 59 PHE 1.215 0.488 5 0 "[ . 1]"
1 60 ALA 5.868 0.901 1 2 "[+- . 1]"
1 61 VAL 3.253 0.419 6 0 "[ . 1]"
1 62 GLN 3.698 0.490 9 0 "[ . 1]"
1 63 ILE 1.965 0.490 9 0 "[ . 1]"
1 64 SER 2.162 0.407 9 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 ALA HA 1 3 MET H 3.520 . 3.520 2.789 2.227 3.627 0.107 9 0 "[ . 1]" 1
2 1 2 ALA MB 1 3 MET H 4.360 . 4.360 2.507 1.876 3.549 . 0 0 "[ . 1]" 1
3 1 2 ALA MB 1 36 LYS H 3.660 . 3.660 3.551 1.922 4.875 1.215 9 2 "[- . +1]" 1
4 1 2 ALA MB 1 36 LYS HB2 2.920 . 2.920 2.746 1.715 3.613 0.693 1 1 "[+ . 1]" 1
5 1 2 ALA MB 1 36 LYS QE 4.120 . 4.120 2.920 1.668 3.895 . 0 0 "[ . 1]" 1
6 1 2 ALA MB 1 36 LYS QG 4.550 . 4.550 3.519 2.783 4.397 . 0 0 "[ . 1]" 1
7 1 3 MET H 1 3 MET QB 3.690 . 3.690 2.758 2.316 3.146 . 0 0 "[ . 1]" 1
8 1 3 MET H 1 3 MET HG2 5.500 . 5.500 4.718 3.927 5.425 . 0 0 "[ . 1]" 1
9 1 3 MET H 1 3 MET QG 4.760 . 4.760 4.072 2.933 4.455 . 0 0 "[ . 1]" 1
10 1 3 MET H 1 3 MET HG3 5.500 . 5.500 4.522 3.028 5.261 . 0 0 "[ . 1]" 1
11 1 3 MET HA 1 4 GLY H 3.100 . 3.100 2.393 2.061 2.976 . 0 0 "[ . 1]" 1
12 1 5 ALA H 1 5 ALA MB 2.910 . 2.910 2.403 2.354 2.446 . 0 0 "[ . 1]" 1
13 1 5 ALA H 1 6 LYS H 4.000 . 4.000 2.374 2.129 3.649 . 0 0 "[ . 1]" 1
14 1 5 ALA HA 1 6 LYS H 3.420 . 3.420 3.352 3.166 3.556 0.136 9 0 "[ . 1]" 1
15 1 5 ALA MB 1 6 LYS H 3.750 . 3.750 3.102 1.803 3.518 . 0 0 "[ . 1]" 1
16 1 6 LYS H 1 6 LYS HB2 4.120 . 4.120 3.198 2.560 3.748 . 0 0 "[ . 1]" 1
17 1 6 LYS H 1 6 LYS QB 3.510 . 3.510 3.059 2.514 3.491 . 0 0 "[ . 1]" 1
18 1 6 LYS H 1 6 LYS HB3 4.120 . 4.120 3.990 3.610 4.198 0.078 3 0 "[ . 1]" 1
19 1 6 LYS H 1 6 LYS HG2 4.950 . 4.950 3.848 2.943 4.931 . 0 0 "[ . 1]" 1
20 1 6 LYS H 1 6 LYS QG 4.240 . 4.240 3.094 1.965 3.890 . 0 0 "[ . 1]" 1
21 1 6 LYS H 1 6 LYS HG3 4.950 . 4.950 3.523 1.990 4.526 . 0 0 "[ . 1]" 1
22 1 6 LYS HA 1 6 LYS QG 3.700 . 3.700 2.470 2.247 2.928 . 0 0 "[ . 1]" 1
23 1 6 LYS HA 1 7 GLU H 2.850 . 2.850 2.404 2.172 2.671 . 0 0 "[ . 1]" 1
24 1 6 LYS HA 1 8 TYR QE 5.260 . 5.260 4.365 3.785 4.636 . 0 0 "[ . 1]" 1
25 1 6 LYS QB 1 7 GLU H 4.130 . 4.130 3.743 3.244 3.986 . 0 0 "[ . 1]" 1
26 1 6 LYS QB 1 8 TYR QE 4.080 . 4.080 2.909 2.100 3.421 . 0 0 "[ . 1]" 1
27 1 6 LYS HB2 1 7 GLU H 4.790 . 4.790 4.458 4.329 4.680 . 0 0 "[ . 1]" 1
28 1 6 LYS HB2 1 8 TYR QE 4.930 . 4.930 4.266 3.083 4.994 0.064 5 0 "[ . 1]" 1
29 1 6 LYS HB3 1 7 GLU H 4.790 . 4.790 4.067 3.340 4.456 . 0 0 "[ . 1]" 1
30 1 6 LYS HB3 1 8 TYR QE 4.930 . 4.930 2.969 2.137 3.513 . 0 0 "[ . 1]" 1
31 1 6 LYS HG2 1 7 GLU H 5.500 . 5.500 4.995 4.585 5.773 0.273 5 0 "[ . 1]" 1
32 1 6 LYS HG3 1 7 GLU H 5.500 . 5.500 5.118 4.549 5.629 0.129 6 0 "[ . 1]" 1
33 1 7 GLU H 1 7 GLU HB2 2.960 . 2.960 2.586 2.397 2.821 . 0 0 "[ . 1]" 1
34 1 7 GLU H 1 7 GLU HG2 4.200 . 4.200 3.858 2.974 4.232 0.032 2 0 "[ . 1]" 1
35 1 7 GLU H 1 7 GLU QG 3.540 . 3.540 2.836 2.229 3.338 . 0 0 "[ . 1]" 1
36 1 7 GLU H 1 7 GLU HG3 4.200 . 4.200 3.048 2.255 4.202 0.002 1 0 "[ . 1]" 1
37 1 7 GLU H 1 8 TYR H 5.020 . 5.020 4.449 4.272 4.593 . 0 0 "[ . 1]" 1
38 1 7 GLU H 1 8 TYR QD 5.050 . 5.050 4.889 4.216 5.441 0.391 6 0 "[ . 1]" 1
39 1 7 GLU H 1 33 LEU H 5.010 . 5.010 4.616 3.655 5.199 0.189 8 0 "[ . 1]" 1
40 1 7 GLU H 1 33 LEU HB3 4.910 . 4.910 3.867 3.591 4.259 . 0 0 "[ . 1]" 1
41 1 7 GLU HA 1 7 GLU QG 3.720 . 3.720 2.441 2.249 2.928 . 0 0 "[ . 1]" 1
42 1 7 GLU HA 1 8 TYR H 2.690 . 2.690 2.120 2.066 2.186 . 0 0 "[ . 1]" 1
43 1 7 GLU HA 1 8 TYR QD 4.710 . 4.710 3.737 3.248 4.436 . 0 0 "[ . 1]" 1
44 1 7 GLU HB2 1 33 LEU H 4.880 . 4.880 4.372 2.702 4.942 0.062 4 0 "[ . 1]" 1
45 1 7 GLU HB2 1 33 LEU HB2 4.070 . 4.070 3.629 2.876 4.234 0.164 2 0 "[ . 1]" 1
46 1 7 GLU HB2 1 33 LEU HB3 3.770 . 3.770 2.359 1.680 3.162 . 0 0 "[ . 1]" 1
47 1 7 GLU HB2 1 33 LEU MD1 4.940 . 4.940 2.670 2.080 3.398 . 0 0 "[ . 1]" 1
48 1 7 GLU HB3 1 8 TYR H 3.840 . 3.840 3.206 3.110 3.319 . 0 0 "[ . 1]" 1
49 1 7 GLU HB3 1 33 LEU MD1 4.630 . 4.630 2.491 1.908 3.257 . 0 0 "[ . 1]" 1
50 1 7 GLU HB3 1 62 GLN HE21 5.500 . 5.500 3.717 2.024 5.377 . 0 0 "[ . 1]" 1
51 1 7 GLU HB3 1 62 GLN QE 4.410 . 4.410 2.981 1.791 4.692 0.282 8 0 "[ . 1]" 1
52 1 7 GLU HB3 1 62 GLN HE22 5.500 . 5.500 3.334 1.996 5.211 . 0 0 "[ . 1]" 1
53 1 7 GLU QG 1 8 TYR H 4.950 . 4.950 4.087 3.936 4.687 . 0 0 "[ . 1]" 1
54 1 7 GLU QG 1 62 GLN QE 4.490 . 4.490 3.301 2.292 4.312 . 0 0 "[ . 1]" 1
55 1 8 TYR H 1 8 TYR HB2 3.830 . 3.830 2.744 2.634 2.822 . 0 0 "[ . 1]" 1
56 1 8 TYR H 1 8 TYR HB3 4.070 . 4.070 3.827 3.791 3.852 . 0 0 "[ . 1]" 1
57 1 8 TYR H 1 8 TYR QD 3.620 . 3.620 2.873 2.343 3.501 . 0 0 "[ . 1]" 1
58 1 8 TYR H 1 8 TYR QE 5.500 . 5.500 4.716 4.337 5.088 . 0 0 "[ . 1]" 1
59 1 8 TYR H 1 9 CYS H 4.660 . 4.660 4.536 4.440 4.561 . 0 0 "[ . 1]" 1
60 1 8 TYR H 1 30 ILE MG 5.500 . 5.500 5.333 5.009 5.716 0.216 5 0 "[ . 1]" 1
61 1 8 TYR H 1 62 GLN HG2 5.500 . 5.500 5.179 4.707 5.870 0.370 7 0 "[ . 1]" 1
62 1 8 TYR H 1 62 GLN QG 4.830 . 4.830 4.050 3.531 4.888 0.058 9 0 "[ . 1]" 1
63 1 8 TYR H 1 62 GLN HG3 5.500 . 5.500 4.307 3.621 5.537 0.037 4 0 "[ . 1]" 1
64 1 8 TYR H 1 63 ILE H 4.750 . 4.750 4.131 3.439 4.703 . 0 0 "[ . 1]" 1
65 1 8 TYR H 1 63 ILE QG 4.980 . 4.980 4.043 3.015 4.962 . 0 0 "[ . 1]" 1
66 1 8 TYR H 1 64 SER H 4.810 . 4.810 4.626 3.887 5.087 0.277 5 0 "[ . 1]" 1
67 1 8 TYR HA 1 8 TYR QD 3.900 . 3.900 2.866 2.330 3.192 . 0 0 "[ . 1]" 1
68 1 8 TYR HA 1 9 CYS H 3.000 . 3.000 2.405 2.290 2.502 . 0 0 "[ . 1]" 1
69 1 8 TYR HA 1 30 ILE MG 4.700 . 4.700 3.888 3.311 4.441 . 0 0 "[ . 1]" 1
70 1 8 TYR HA 1 31 ILE H 5.480 . 5.480 5.007 4.387 5.476 . 0 0 "[ . 1]" 1
71 1 8 TYR HA 1 32 HIS HA 4.230 . 4.230 3.155 2.916 3.532 . 0 0 "[ . 1]" 1
72 1 8 TYR HA 1 33 LEU H 4.010 . 4.010 2.742 2.194 3.485 . 0 0 "[ . 1]" 1
73 1 8 TYR HA 1 33 LEU HB2 4.550 . 4.550 3.262 2.790 4.487 . 0 0 "[ . 1]" 1
74 1 8 TYR HB2 1 9 CYS H 4.490 . 4.490 3.649 3.397 4.046 . 0 0 "[ . 1]" 1
75 1 8 TYR HB2 1 30 ILE MG 3.800 . 3.800 3.346 2.897 3.825 0.025 10 0 "[ . 1]" 1
76 1 8 TYR HB2 1 31 ILE H 5.500 . 5.500 5.957 5.528 6.446 0.946 10 4 "[ ** -+]" 1
77 1 8 TYR HB2 1 63 ILE H 5.500 . 5.500 4.674 4.168 5.178 . 0 0 "[ . 1]" 1
78 1 8 TYR HB2 1 63 ILE QG 4.300 . 4.300 3.302 2.763 3.884 . 0 0 "[ . 1]" 1
79 1 8 TYR HB3 1 9 CYS H 3.600 . 3.600 2.660 2.477 3.185 . 0 0 "[ . 1]" 1
80 1 8 TYR HB3 1 30 ILE MG 3.760 . 3.760 2.337 1.932 2.727 . 0 0 "[ . 1]" 1
81 1 8 TYR HB3 1 31 ILE H 5.500 . 5.500 4.524 4.056 5.089 . 0 0 "[ . 1]" 1
82 1 8 TYR QD 1 9 CYS H 4.450 . 4.450 4.059 3.568 4.403 . 0 0 "[ . 1]" 1
83 1 8 TYR QD 1 30 ILE MG 3.370 . 3.370 3.096 2.216 3.554 0.184 6 0 "[ . 1]" 1
84 1 8 TYR QD 1 32 HIS HA 4.550 . 4.550 2.652 2.033 3.905 . 0 0 "[ . 1]" 1
85 1 8 TYR QD 1 33 LEU H 5.260 . 5.260 3.768 2.915 5.208 . 0 0 "[ . 1]" 1
86 1 8 TYR QE 1 30 ILE MG 4.640 . 4.640 4.611 3.876 4.964 0.324 4 0 "[ . 1]" 1
87 1 9 CYS H 1 9 CYS HB3 4.150 . 4.150 3.511 3.294 3.909 . 0 0 "[ . 1]" 1
88 1 9 CYS H 1 10 ARG H 4.590 . 4.590 4.434 4.388 4.458 . 0 0 "[ . 1]" 1
89 1 9 CYS H 1 30 ILE HA 5.130 . 5.130 4.218 3.959 4.729 . 0 0 "[ . 1]" 1
90 1 9 CYS H 1 30 ILE MG 3.730 . 3.730 2.873 2.652 3.325 . 0 0 "[ . 1]" 1
91 1 9 CYS H 1 31 ILE H 3.660 . 3.660 3.015 2.578 3.352 . 0 0 "[ . 1]" 1
92 1 9 CYS H 1 31 ILE HB 4.290 . 4.290 3.969 3.476 4.283 . 0 0 "[ . 1]" 1
93 1 9 CYS H 1 31 ILE HG13 5.500 . 5.500 5.350 4.973 5.536 0.036 4 0 "[ . 1]" 1
94 1 9 CYS H 1 31 ILE MG 5.360 . 5.360 4.823 4.471 5.056 . 0 0 "[ . 1]" 1
95 1 9 CYS H 1 32 HIS HA 4.930 . 4.930 4.171 3.757 4.553 . 0 0 "[ . 1]" 1
96 1 9 CYS H 1 33 LEU H 4.840 . 4.840 4.359 3.736 4.698 . 0 0 "[ . 1]" 1
97 1 9 CYS H 1 33 LEU HB2 5.250 . 5.250 4.265 3.654 4.828 . 0 0 "[ . 1]" 1
98 1 9 CYS H 1 62 GLN HA 5.310 . 5.310 4.960 4.784 5.103 . 0 0 "[ . 1]" 1
99 1 9 CYS HA 1 30 ILE MG 5.330 . 5.330 4.295 4.147 4.675 . 0 0 "[ . 1]" 1
100 1 9 CYS HA 1 31 ILE H 5.500 . 5.500 4.931 4.567 5.182 . 0 0 "[ . 1]" 1
101 1 9 CYS QB 1 10 ARG H 3.500 . 3.500 2.808 2.758 2.941 . 0 0 "[ . 1]" 1
102 1 9 CYS QB 1 31 ILE H 5.340 . 5.340 4.401 3.647 4.725 . 0 0 "[ . 1]" 1
103 1 9 CYS QB 1 60 ALA MB 3.470 . 3.470 2.229 1.914 2.689 . 0 0 "[ . 1]" 1
104 1 9 CYS QB 1 61 VAL H 4.160 . 4.160 3.434 2.937 3.873 . 0 0 "[ . 1]" 1
105 1 9 CYS QB 1 62 GLN HA 3.610 . 3.610 2.709 2.217 3.385 . 0 0 "[ . 1]" 1
106 1 9 CYS QB 1 63 ILE H 4.410 . 4.410 4.238 3.667 4.886 0.476 9 0 "[ . 1]" 1
107 1 9 CYS HB2 1 10 ARG H 4.210 . 4.210 3.079 2.825 3.884 . 0 0 "[ . 1]" 1
108 1 9 CYS HB2 1 44 TRP HZ3 4.430 . 4.430 3.829 3.124 4.383 . 0 0 "[ . 1]" 1
109 1 9 CYS HB2 1 60 ALA MB 4.070 . 4.070 2.322 1.927 2.726 . 0 0 "[ . 1]" 1
110 1 9 CYS HB2 1 61 VAL H 4.990 . 4.990 3.788 2.973 5.140 0.150 2 0 "[ . 1]" 1
111 1 9 CYS HB2 1 62 GLN HA 4.350 . 4.350 3.564 2.940 4.551 0.201 9 0 "[ . 1]" 1
112 1 9 CYS HB3 1 10 ARG H 4.210 . 4.210 3.713 2.869 4.024 . 0 0 "[ . 1]" 1
113 1 9 CYS HB3 1 44 TRP HZ3 4.400 . 4.400 3.202 2.633 4.069 . 0 0 "[ . 1]" 1
114 1 9 CYS HB3 1 60 ALA MB 4.070 . 4.070 3.400 2.104 4.106 0.036 10 0 "[ . 1]" 1
115 1 9 CYS HB3 1 61 VAL H 4.990 . 4.990 4.741 3.388 5.409 0.419 6 0 "[ . 1]" 1
116 1 9 CYS HB3 1 62 GLN HA 4.350 . 4.350 2.814 2.293 3.491 . 0 0 "[ . 1]" 1
117 1 10 ARG H 1 10 ARG HB2 3.880 . 3.880 2.877 2.743 3.056 . 0 0 "[ . 1]" 1
118 1 10 ARG H 1 10 ARG HB3 3.770 . 3.770 2.545 2.402 2.707 . 0 0 "[ . 1]" 1
119 1 10 ARG H 1 10 ARG HG2 5.500 . 5.500 4.450 4.259 4.617 . 0 0 "[ . 1]" 1
120 1 10 ARG H 1 10 ARG QG 4.850 . 4.850 4.032 3.947 4.091 . 0 0 "[ . 1]" 1
121 1 10 ARG H 1 10 ARG HG3 5.500 . 5.500 4.621 4.565 4.670 . 0 0 "[ . 1]" 1
122 1 10 ARG H 1 12 LEU MD2 5.500 . 5.500 4.956 4.784 5.362 . 0 0 "[ . 1]" 1
123 1 10 ARG H 1 30 ILE MD 5.500 . 5.500 3.733 3.547 4.115 . 0 0 "[ . 1]" 1
124 1 10 ARG H 1 30 ILE MG 5.480 . 5.480 4.706 4.576 4.937 . 0 0 "[ . 1]" 1
125 1 10 ARG H 1 60 ALA HA 5.500 . 5.500 4.605 4.176 5.320 . 0 0 "[ . 1]" 1
126 1 10 ARG H 1 60 ALA MB 4.490 . 4.490 3.615 3.367 3.944 . 0 0 "[ . 1]" 1
127 1 10 ARG H 1 61 VAL H 3.380 . 3.380 2.995 2.478 3.307 . 0 0 "[ . 1]" 1
128 1 10 ARG H 1 61 VAL MG1 4.860 . 4.860 2.792 2.410 3.181 . 0 0 "[ . 1]" 1
129 1 10 ARG H 1 61 VAL MG2 4.860 . 4.860 4.579 4.357 4.772 . 0 0 "[ . 1]" 1
130 1 10 ARG H 1 62 GLN HA 4.430 . 4.430 3.844 3.364 4.337 . 0 0 "[ . 1]" 1
131 1 10 ARG H 1 63 ILE MD 5.500 . 5.500 3.763 3.031 4.507 . 0 0 "[ . 1]" 1
132 1 10 ARG HA 1 11 THR H 2.730 . 2.730 2.195 2.165 2.215 . 0 0 "[ . 1]" 1
133 1 10 ARG HA 1 11 THR MG 4.370 . 4.370 3.766 3.712 3.809 . 0 0 "[ . 1]" 1
134 1 10 ARG HA 1 29 GLU H 5.060 . 5.060 3.979 3.585 4.999 . 0 0 "[ . 1]" 1
135 1 10 ARG HA 1 30 ILE HA 3.830 . 3.830 2.567 2.386 2.795 . 0 0 "[ . 1]" 1
136 1 10 ARG HA 1 30 ILE MD 4.790 . 4.790 1.982 1.845 2.240 . 0 0 "[ . 1]" 1
137 1 10 ARG HA 1 30 ILE MG 4.480 . 4.480 3.726 3.500 3.909 . 0 0 "[ . 1]" 1
138 1 10 ARG HA 1 31 ILE H 4.130 . 4.130 3.669 3.355 3.929 . 0 0 "[ . 1]" 1
139 1 10 ARG HA 1 61 VAL H 5.100 . 5.100 4.653 4.321 4.925 . 0 0 "[ . 1]" 1
140 1 10 ARG HA 1 61 VAL MG1 5.090 . 5.090 4.487 4.157 4.717 . 0 0 "[ . 1]" 1
141 1 10 ARG QB 1 30 ILE HA 5.340 . 5.340 4.157 3.927 4.454 . 0 0 "[ . 1]" 1
142 1 10 ARG QB 1 61 VAL H 4.650 . 4.650 3.563 3.368 3.788 . 0 0 "[ . 1]" 1
143 1 10 ARG HB2 1 11 THR H 4.590 . 4.590 4.212 4.063 4.316 . 0 0 "[ . 1]" 1
144 1 10 ARG HB2 1 30 ILE HA 5.140 . 5.140 4.317 4.064 4.668 . 0 0 "[ . 1]" 1
145 1 10 ARG HB2 1 61 VAL H 5.500 . 5.500 5.003 4.691 5.318 . 0 0 "[ . 1]" 1
146 1 10 ARG HB3 1 11 THR H 4.590 . 4.590 4.133 3.959 4.248 . 0 0 "[ . 1]" 1
147 1 10 ARG HB3 1 61 VAL H 5.420 . 5.420 3.647 3.452 3.890 . 0 0 "[ . 1]" 1
148 1 10 ARG QD 1 30 ILE MD 4.840 . 4.840 2.704 2.279 3.366 . 0 0 "[ . 1]" 1
149 1 10 ARG HD2 1 11 THR H 5.500 . 5.500 5.139 4.993 5.273 . 0 0 "[ . 1]" 1
150 1 10 ARG HD2 1 30 ILE MD 5.500 . 5.500 3.497 2.305 4.184 . 0 0 "[ . 1]" 1
151 1 10 ARG HD3 1 11 THR H 5.500 . 5.500 5.281 5.089 5.402 . 0 0 "[ . 1]" 1
152 1 10 ARG HD3 1 30 ILE MD 5.500 . 5.500 3.094 2.313 4.182 . 0 0 "[ . 1]" 1
153 1 10 ARG QG 1 11 THR H 4.280 . 4.280 2.663 2.579 2.759 . 0 0 "[ . 1]" 1
154 1 10 ARG HG2 1 11 THR H 5.010 . 5.010 3.066 2.731 3.346 . 0 0 "[ . 1]" 1
155 1 10 ARG HG2 1 29 GLU H 5.500 . 5.500 3.906 2.938 4.991 . 0 0 "[ . 1]" 1
156 1 10 ARG HG3 1 11 THR H 5.010 . 5.010 2.978 2.707 3.379 . 0 0 "[ . 1]" 1
157 1 10 ARG HG3 1 29 GLU H 5.500 . 5.500 3.358 2.895 4.600 . 0 0 "[ . 1]" 1
158 1 11 THR H 1 11 THR MG 2.890 . 2.890 2.430 2.358 2.495 . 0 0 "[ . 1]" 1
159 1 11 THR H 1 12 LEU MD2 5.410 . 5.410 5.050 4.734 5.482 0.072 1 0 "[ . 1]" 1
160 1 11 THR H 1 28 GLY H 4.740 . 4.740 3.801 3.381 4.194 . 0 0 "[ . 1]" 1
161 1 11 THR H 1 28 GLY HA2 5.500 . 5.500 4.134 3.849 4.341 . 0 0 "[ . 1]" 1
162 1 11 THR H 1 29 GLU H 3.500 . 3.500 2.489 2.131 3.262 . 0 0 "[ . 1]" 1
163 1 11 THR H 1 29 GLU HB2 5.440 . 5.440 4.667 3.979 5.246 . 0 0 "[ . 1]" 1
164 1 11 THR H 1 29 GLU QB 5.010 . 5.010 4.093 3.709 4.391 . 0 0 "[ . 1]" 1
165 1 11 THR H 1 30 ILE HA 4.380 . 4.380 3.626 3.404 3.829 . 0 0 "[ . 1]" 1
166 1 11 THR H 1 30 ILE MD 4.600 . 4.600 3.438 3.078 3.711 . 0 0 "[ . 1]" 1
167 1 11 THR H 1 31 ILE MD 4.980 . 4.980 4.694 4.474 5.175 0.195 1 0 "[ . 1]" 1
168 1 11 THR H 1 31 ILE HG13 5.410 . 5.410 4.388 4.212 4.648 . 0 0 "[ . 1]" 1
169 1 11 THR H 1 60 ALA HA 5.080 . 5.080 4.470 4.216 4.749 . 0 0 "[ . 1]" 1
170 1 11 THR H 1 60 ALA MB 4.980 . 4.980 3.927 3.763 4.148 . 0 0 "[ . 1]" 1
171 1 11 THR HA 1 12 LEU H 3.010 . 3.010 2.151 2.108 2.239 . 0 0 "[ . 1]" 1
172 1 11 THR HA 1 12 LEU MD2 4.740 . 4.740 4.340 3.855 4.618 . 0 0 "[ . 1]" 1
173 1 11 THR HA 1 12 LEU HG 4.020 . 4.020 3.733 3.240 4.049 0.029 8 0 "[ . 1]" 1
174 1 11 THR HA 1 60 ALA H 5.500 . 5.500 4.522 4.249 4.943 . 0 0 "[ . 1]" 1
175 1 11 THR HA 1 60 ALA HA 3.340 . 3.340 2.095 1.852 2.519 . 0 0 "[ . 1]" 1
176 1 11 THR HA 1 60 ALA MB 3.140 . 3.140 2.427 2.117 2.816 . 0 0 "[ . 1]" 1
177 1 11 THR HA 1 61 VAL H 4.250 . 4.250 3.701 3.222 4.108 . 0 0 "[ . 1]" 1
178 1 11 THR HA 1 61 VAL MG1 4.970 . 4.970 4.710 4.266 5.019 0.049 9 0 "[ . 1]" 1
179 1 11 THR HB 1 13 PHE H 4.500 . 4.500 2.860 2.698 2.960 . 0 0 "[ . 1]" 1
180 1 11 THR MG 1 12 LEU H 4.180 . 4.180 3.862 3.673 4.009 . 0 0 "[ . 1]" 1
181 1 11 THR MG 1 13 PHE H 4.690 . 4.690 4.179 4.123 4.229 . 0 0 "[ . 1]" 1
182 1 11 THR MG 1 25 PHE HB2 4.730 . 4.730 3.222 2.818 3.571 . 0 0 "[ . 1]" 1
183 1 11 THR MG 1 25 PHE QB 3.980 . 3.980 3.111 2.750 3.429 . 0 0 "[ . 1]" 1
184 1 11 THR MG 1 25 PHE HB3 4.730 . 4.730 4.120 3.831 4.423 . 0 0 "[ . 1]" 1
185 1 11 THR MG 1 25 PHE QD 4.400 . 4.400 2.459 2.194 2.653 . 0 0 "[ . 1]" 1
186 1 11 THR MG 1 26 ARG H 4.960 . 4.960 4.700 4.357 5.012 0.052 5 0 "[ . 1]" 1
187 1 11 THR MG 1 28 GLY H 4.700 . 4.700 4.127 3.860 4.303 . 0 0 "[ . 1]" 1
188 1 11 THR MG 1 29 GLU H 4.130 . 4.130 3.540 3.433 3.647 . 0 0 "[ . 1]" 1
189 1 11 THR MG 1 29 GLU HB2 4.780 . 4.780 3.562 2.935 4.221 . 0 0 "[ . 1]" 1
190 1 11 THR MG 1 29 GLU QB 4.010 . 4.010 2.984 2.821 3.157 . 0 0 "[ . 1]" 1
191 1 11 THR MG 1 29 GLU HB3 4.780 . 4.780 3.530 2.890 4.219 . 0 0 "[ . 1]" 1
192 1 11 THR MG 1 31 ILE H 4.930 . 4.930 3.942 3.732 4.255 . 0 0 "[ . 1]" 1
193 1 11 THR MG 1 31 ILE MD 3.180 . 3.180 2.189 2.015 2.774 . 0 0 "[ . 1]" 1
194 1 11 THR MG 1 31 ILE HG12 4.000 . 4.000 3.566 2.755 3.818 . 0 0 "[ . 1]" 1
195 1 11 THR MG 1 31 ILE HG13 3.920 . 3.920 2.551 2.311 2.750 . 0 0 "[ . 1]" 1
196 1 11 THR MG 1 60 ALA HA 4.630 . 4.630 3.676 3.454 4.050 . 0 0 "[ . 1]" 1
197 1 11 THR MG 1 60 ALA MB 3.640 . 3.640 2.325 2.041 2.848 . 0 0 "[ . 1]" 1
198 1 12 LEU H 1 12 LEU HB2 3.420 . 3.420 2.662 2.493 3.608 0.188 1 0 "[ . 1]" 1
199 1 12 LEU H 1 12 LEU MD1 4.170 . 4.170 3.650 3.025 3.815 . 0 0 "[ . 1]" 1
200 1 12 LEU H 1 12 LEU MD2 4.440 . 4.440 3.403 3.286 3.683 . 0 0 "[ . 1]" 1
201 1 12 LEU H 1 12 LEU HG 3.470 . 3.470 2.358 1.829 2.720 . 0 0 "[ . 1]" 1
202 1 12 LEU H 1 13 PHE H 2.990 . 2.990 2.280 1.970 2.480 . 0 0 "[ . 1]" 1
203 1 12 LEU H 1 60 ALA H 5.040 . 5.040 4.228 3.849 4.549 . 0 0 "[ . 1]" 1
204 1 12 LEU H 1 60 ALA HA 3.380 . 3.380 2.364 2.007 2.906 . 0 0 "[ . 1]" 1
205 1 12 LEU H 1 60 ALA MB 4.320 . 4.320 3.642 3.341 4.023 . 0 0 "[ . 1]" 1
206 1 12 LEU H 1 61 VAL H 4.880 . 4.880 3.989 3.391 4.695 . 0 0 "[ . 1]" 1
207 1 12 LEU HA 1 12 LEU HG 4.170 . 4.170 3.200 3.096 3.435 . 0 0 "[ . 1]" 1
208 1 12 LEU HA 1 28 GLY H 5.110 . 5.110 4.108 3.573 4.412 . 0 0 "[ . 1]" 1
209 1 12 LEU HB2 1 12 LEU MD1 2.830 . 2.830 2.313 2.143 2.346 . 0 0 "[ . 1]" 1
210 1 12 LEU HB2 1 13 PHE H 3.610 . 3.610 3.307 3.136 3.979 0.369 1 0 "[ . 1]" 1
211 1 12 LEU MD1 1 13 PHE H 5.340 . 5.340 4.795 3.320 5.012 . 0 0 "[ . 1]" 1
212 1 12 LEU MD1 1 13 PHE QD 4.720 . 4.720 3.773 1.999 4.201 . 0 0 "[ . 1]" 1
213 1 12 LEU MD1 1 60 ALA H 4.460 . 4.460 4.146 3.512 4.609 0.149 5 0 "[ . 1]" 1
214 1 12 LEU MD1 1 60 ALA HA 4.370 . 4.370 3.888 3.421 4.124 . 0 0 "[ . 1]" 1
215 1 12 LEU MD1 1 61 VAL H 4.910 . 4.910 3.793 3.405 4.958 0.048 1 0 "[ . 1]" 1
216 1 12 LEU MD1 1 61 VAL HB 4.010 . 4.010 2.286 1.783 4.296 0.286 1 0 "[ . 1]" 1
217 1 12 LEU MD2 1 13 PHE H 5.500 . 5.500 4.707 4.629 4.800 . 0 0 "[ . 1]" 1
218 1 12 LEU MD2 1 60 ALA HA 4.720 . 4.720 3.942 3.172 4.415 . 0 0 "[ . 1]" 1
219 1 12 LEU MD2 1 61 VAL H 5.490 . 5.490 3.438 2.754 3.852 . 0 0 "[ . 1]" 1
220 1 12 LEU MD2 1 61 VAL HB 4.210 . 4.210 2.783 2.163 3.336 . 0 0 "[ . 1]" 1
221 1 12 LEU HG 1 13 PHE H 4.500 . 4.500 4.341 3.398 4.539 0.039 10 0 "[ . 1]" 1
222 1 12 LEU HG 1 60 ALA H 5.440 . 5.440 4.413 3.649 4.866 . 0 0 "[ . 1]" 1
223 1 12 LEU HG 1 60 ALA HA 3.640 . 3.640 2.718 2.000 3.089 . 0 0 "[ . 1]" 1
224 1 12 LEU HG 1 61 VAL H 4.200 . 4.200 2.975 2.382 4.046 . 0 0 "[ . 1]" 1
225 1 12 LEU HG 1 61 VAL HB 4.420 . 4.420 3.321 2.657 4.385 . 0 0 "[ . 1]" 1
226 1 13 PHE H 1 13 PHE HB2 3.940 . 3.940 2.898 2.797 3.004 . 0 0 "[ . 1]" 1
227 1 13 PHE H 1 13 PHE QB 3.350 . 3.350 2.825 2.732 2.920 . 0 0 "[ . 1]" 1
228 1 13 PHE H 1 13 PHE HB3 3.940 . 3.940 3.912 3.829 3.981 0.041 3 0 "[ . 1]" 1
229 1 13 PHE H 1 13 PHE QD 4.410 . 4.410 3.691 3.269 4.005 . 0 0 "[ . 1]" 1
230 1 13 PHE H 1 14 PRO HD2 5.400 . 5.400 5.102 4.884 5.347 . 0 0 "[ . 1]" 1
231 1 13 PHE H 1 14 PRO HD3 5.500 . 5.500 4.741 4.561 4.874 . 0 0 "[ . 1]" 1
232 1 13 PHE H 1 27 GLU HA 4.350 . 4.350 3.553 3.052 3.939 . 0 0 "[ . 1]" 1
233 1 13 PHE H 1 28 GLY H 5.500 . 5.500 4.413 4.152 4.604 . 0 0 "[ . 1]" 1
234 1 13 PHE H 1 59 PHE HA 5.260 . 5.260 3.738 3.180 4.470 . 0 0 "[ . 1]" 1
235 1 13 PHE H 1 59 PHE QD 4.770 . 4.770 3.935 3.139 4.548 . 0 0 "[ . 1]" 1
236 1 13 PHE H 1 60 ALA HA 5.110 . 5.110 4.419 3.983 5.092 . 0 0 "[ . 1]" 1
237 1 13 PHE HA 1 13 PHE QD 3.630 . 3.630 2.660 2.269 2.886 . 0 0 "[ . 1]" 1
238 1 13 PHE HA 1 14 PRO HD2 3.550 . 3.550 2.847 2.555 3.250 . 0 0 "[ . 1]" 1
239 1 13 PHE HA 1 14 PRO HD3 3.740 . 3.740 2.147 1.890 2.402 . 0 0 "[ . 1]" 1
240 1 13 PHE HA 1 27 GLU H 5.410 . 5.410 4.506 4.078 4.942 . 0 0 "[ . 1]" 1
241 1 13 PHE HA 1 27 GLU HB2 5.090 . 5.090 2.332 1.650 3.277 . 0 0 "[ . 1]" 1
242 1 13 PHE HA 1 27 GLU QB 4.270 . 4.270 2.186 1.646 2.869 . 0 0 "[ . 1]" 1
243 1 13 PHE HA 1 27 GLU HB3 5.090 . 5.090 3.568 1.991 4.351 . 0 0 "[ . 1]" 1
244 1 13 PHE QB 1 14 PRO HD2 3.980 . 3.980 2.206 1.849 2.570 . 0 0 "[ . 1]" 1
245 1 13 PHE QB 1 59 PHE QD 3.960 . 3.960 2.210 1.684 3.291 . 0 0 "[ . 1]" 1
246 1 13 PHE QB 1 59 PHE QE 4.460 . 4.460 3.168 2.398 3.736 . 0 0 "[ . 1]" 1
247 1 13 PHE QD 1 14 PRO HD2 4.280 . 4.280 2.816 2.226 3.507 . 0 0 "[ . 1]" 1
248 1 14 PRO HA 1 15 TYR H 2.770 . 2.770 2.208 2.140 2.271 . 0 0 "[ . 1]" 1
249 1 14 PRO HB2 1 15 TYR H 3.690 . 3.690 3.323 2.933 3.720 0.030 10 0 "[ . 1]" 1
250 1 14 PRO HB2 1 26 ARG HA 4.870 . 4.870 3.262 2.805 3.930 . 0 0 "[ . 1]" 1
251 1 14 PRO HB3 1 26 ARG HA 4.600 . 4.600 2.182 1.878 2.583 . 0 0 "[ . 1]" 1
252 1 14 PRO HB3 1 27 GLU H 3.670 . 3.670 2.372 1.997 2.958 . 0 0 "[ . 1]" 1
253 1 14 PRO HD3 1 27 GLU H 4.340 . 4.340 3.521 2.786 4.019 . 0 0 "[ . 1]" 1
254 1 14 PRO HD3 1 27 GLU HB2 4.430 . 4.430 2.263 1.836 4.330 . 0 0 "[ . 1]" 1
255 1 14 PRO HD3 1 27 GLU QB 3.730 . 3.730 2.078 1.824 2.717 . 0 0 "[ . 1]" 1
256 1 14 PRO HD3 1 27 GLU HB3 4.430 . 4.430 3.185 2.645 3.795 . 0 0 "[ . 1]" 1
257 1 14 PRO HD3 1 27 GLU HG2 5.500 . 5.500 4.415 3.732 4.840 . 0 0 "[ . 1]" 1
258 1 14 PRO HD3 1 27 GLU QG 4.830 . 4.830 3.429 2.903 4.002 . 0 0 "[ . 1]" 1
259 1 14 PRO HD3 1 27 GLU HG3 5.500 . 5.500 3.594 2.986 4.282 . 0 0 "[ . 1]" 1
260 1 14 PRO QG 1 15 TYR H 4.820 . 4.820 4.599 4.348 4.817 . 0 0 "[ . 1]" 1
261 1 15 TYR H 1 15 TYR HB2 3.960 . 3.960 3.239 3.031 3.397 . 0 0 "[ . 1]" 1
262 1 15 TYR H 1 15 TYR HB3 3.560 . 3.560 2.762 2.628 2.910 . 0 0 "[ . 1]" 1
263 1 15 TYR H 1 15 TYR QD 4.760 . 4.760 4.354 4.275 4.450 . 0 0 "[ . 1]" 1
264 1 15 TYR H 1 16 THR H 4.740 . 4.740 4.321 4.266 4.441 . 0 0 "[ . 1]" 1
265 1 15 TYR H 1 24 THR MG 4.440 . 4.440 4.506 4.231 4.617 0.177 5 0 "[ . 1]" 1
266 1 15 TYR H 1 25 PHE H 3.930 . 3.930 3.191 2.996 3.553 . 0 0 "[ . 1]" 1
267 1 15 TYR H 1 25 PHE QD 5.150 . 5.150 3.152 2.788 3.414 . 0 0 "[ . 1]" 1
268 1 15 TYR HA 1 15 TYR QD 3.610 . 3.610 2.777 2.534 3.004 . 0 0 "[ . 1]" 1
269 1 15 TYR HA 1 16 THR H 2.740 . 2.740 2.144 2.111 2.168 . 0 0 "[ . 1]" 1
270 1 15 TYR HB2 1 16 THR H 4.510 . 4.510 4.222 4.151 4.281 . 0 0 "[ . 1]" 1
271 1 15 TYR HB2 1 25 PHE H 5.240 . 5.240 5.061 4.798 5.191 . 0 0 "[ . 1]" 1
272 1 15 TYR HB2 1 59 PHE QD 3.960 . 3.960 3.005 2.008 3.728 . 0 0 "[ . 1]" 1
273 1 15 TYR HB2 1 59 PHE QE 4.630 . 4.630 3.918 2.829 4.709 0.079 3 0 "[ . 1]" 1
274 1 15 TYR HB3 1 16 THR H 4.290 . 4.290 4.196 4.079 4.252 . 0 0 "[ . 1]" 1
275 1 15 TYR HB3 1 25 PHE H 4.650 . 4.650 3.517 3.223 3.715 . 0 0 "[ . 1]" 1
276 1 15 TYR QD 1 16 THR H 3.770 . 3.770 3.497 3.090 3.610 . 0 0 "[ . 1]" 1
277 1 15 TYR QD 1 17 GLY H 4.810 . 4.810 4.393 3.937 4.890 0.080 5 0 "[ . 1]" 1
278 1 15 TYR QD 1 22 GLU QG 4.610 . 4.610 4.194 3.666 4.835 0.225 7 0 "[ . 1]" 1
279 1 15 TYR QD 1 24 THR HA 4.510 . 4.510 3.018 2.786 3.307 . 0 0 "[ . 1]" 1
280 1 15 TYR QD 1 25 PHE H 4.480 . 4.480 3.808 3.528 4.210 . 0 0 "[ . 1]" 1
281 1 15 TYR QD 1 59 PHE QD 4.250 . 4.250 3.532 3.201 4.108 . 0 0 "[ . 1]" 1
282 1 15 TYR QD 1 59 PHE QE 4.130 . 4.130 3.063 1.935 3.872 . 0 0 "[ . 1]" 1
283 1 15 TYR QD 1 59 PHE HZ 4.730 . 4.730 3.716 2.804 4.382 . 0 0 "[ . 1]" 1
284 1 15 TYR QE 1 16 THR H 4.640 . 4.640 4.471 4.250 4.550 . 0 0 "[ . 1]" 1
285 1 15 TYR QE 1 17 GLY H 5.110 . 5.110 4.702 4.217 5.140 0.030 3 0 "[ . 1]" 1
286 1 15 TYR QE 1 17 GLY HA2 4.690 . 4.690 3.090 2.488 3.617 . 0 0 "[ . 1]" 1
287 1 15 TYR QE 1 17 GLY QA 3.940 . 3.940 2.994 2.443 3.405 . 0 0 "[ . 1]" 1
288 1 15 TYR QE 1 17 GLY HA3 4.690 . 4.690 4.068 3.556 4.577 . 0 0 "[ . 1]" 1
289 1 15 TYR QE 1 18 THR H 5.500 . 5.500 4.574 4.085 5.082 . 0 0 "[ . 1]" 1
290 1 15 TYR QE 1 22 GLU HB3 4.730 . 4.730 3.817 2.951 4.546 . 0 0 "[ . 1]" 1
291 1 15 TYR QE 1 22 GLU HG2 4.180 . 4.180 2.307 1.698 3.359 . 0 0 "[ . 1]" 1
292 1 15 TYR QE 1 22 GLU QG 4.200 . 4.200 2.178 1.693 2.866 . 0 0 "[ . 1]" 1
293 1 15 TYR QE 1 22 GLU HG3 4.180 . 4.180 3.230 2.501 4.159 . 0 0 "[ . 1]" 1
294 1 15 TYR QE 1 23 LEU H 5.130 . 5.130 3.823 3.347 5.240 0.110 9 0 "[ . 1]" 1
295 1 15 TYR QE 1 54 VAL MG2 5.440 . 5.440 5.434 4.810 5.839 0.399 4 0 "[ . 1]" 1
296 1 15 TYR QE 1 55 PHE HA 5.160 . 5.160 3.978 3.173 4.573 . 0 0 "[ . 1]" 1
297 1 15 TYR QE 1 55 PHE HB2 5.020 . 5.020 3.676 2.745 4.594 . 0 0 "[ . 1]" 1
298 1 16 THR H 1 16 THR HB 3.160 . 3.160 2.628 2.610 2.646 . 0 0 "[ . 1]" 1
299 1 16 THR H 1 16 THR MG 4.000 . 4.000 3.869 3.860 3.878 . 0 0 "[ . 1]" 1
300 1 16 THR H 1 17 GLY H 4.360 . 4.360 4.484 4.428 4.520 0.160 5 0 "[ . 1]" 1
301 1 16 THR H 1 24 THR MG 4.710 . 4.710 4.330 4.275 4.370 . 0 0 "[ . 1]" 1
302 1 16 THR HA 1 16 THR MG 3.230 . 3.230 2.364 2.345 2.376 . 0 0 "[ . 1]" 1
303 1 16 THR HA 1 17 GLY H 2.640 . 2.640 2.197 2.186 2.214 . 0 0 "[ . 1]" 1
304 1 16 THR HA 1 24 THR HA 3.930 . 3.930 3.073 2.813 3.363 . 0 0 "[ . 1]" 1
305 1 16 THR HA 1 24 THR MG 3.070 . 3.070 1.716 1.660 1.766 . 0 0 "[ . 1]" 1
306 1 16 THR HA 1 25 PHE H 4.770 . 4.770 3.430 3.315 3.726 . 0 0 "[ . 1]" 1
307 1 16 THR HB 1 17 GLY H 4.570 . 4.570 4.167 4.090 4.256 . 0 0 "[ . 1]" 1
308 1 16 THR MG 1 17 GLY H 3.300 . 3.300 2.656 2.524 2.828 . 0 0 "[ . 1]" 1
309 1 16 THR MG 1 18 THR H 5.390 . 5.390 4.789 4.640 4.966 . 0 0 "[ . 1]" 1
310 1 16 THR MG 1 18 THR HA 4.490 . 4.490 4.108 3.970 4.334 . 0 0 "[ . 1]" 1
311 1 16 THR MG 1 24 THR MG 3.240 . 3.240 2.487 2.274 2.743 . 0 0 "[ . 1]" 1
312 1 17 GLY H 1 22 GLU HB3 5.500 . 5.500 4.703 4.294 5.294 . 0 0 "[ . 1]" 1
313 1 17 GLY H 1 22 GLU QG 5.340 . 5.340 5.041 4.521 5.721 0.381 7 0 "[ . 1]" 1
314 1 17 GLY H 1 24 THR H 4.930 . 4.930 4.672 4.187 5.029 0.099 6 0 "[ . 1]" 1
315 1 17 GLY H 1 24 THR HA 3.340 . 3.340 2.825 2.680 3.011 . 0 0 "[ . 1]" 1
316 1 17 GLY H 1 24 THR MG 3.580 . 3.580 2.411 2.170 2.570 . 0 0 "[ . 1]" 1
317 1 17 GLY H 1 25 PHE H 5.310 . 5.310 4.424 4.161 4.598 . 0 0 "[ . 1]" 1
318 1 17 GLY QA 1 18 THR H 2.700 . 2.700 2.146 2.115 2.204 . 0 0 "[ . 1]" 1
319 1 17 GLY QA 1 22 GLU H 4.950 . 4.950 4.515 4.040 5.001 0.051 6 0 "[ . 1]" 1
320 1 17 GLY QA 1 22 GLU HB3 3.780 . 3.780 2.273 1.857 2.749 . 0 0 "[ . 1]" 1
321 1 17 GLY HA2 1 18 THR H 3.400 . 3.400 2.196 2.146 2.288 . 0 0 "[ . 1]" 1
322 1 17 GLY HA2 1 19 ASN H 4.130 . 4.130 3.779 3.609 3.913 . 0 0 "[ . 1]" 1
323 1 17 GLY HA2 1 22 GLU H 5.500 . 5.500 5.481 4.821 6.020 0.520 5 1 "[ + 1]" 1
324 1 17 GLY HA2 1 22 GLU HB3 4.560 . 4.560 2.668 1.952 3.326 . 0 0 "[ . 1]" 1
325 1 17 GLY HA3 1 18 THR H 3.400 . 3.400 3.055 2.844 3.206 . 0 0 "[ . 1]" 1
326 1 17 GLY HA3 1 19 ASN H 4.130 . 4.130 3.636 3.211 3.948 . 0 0 "[ . 1]" 1
327 1 17 GLY HA3 1 22 GLU H 5.500 . 5.500 4.809 4.337 5.376 . 0 0 "[ . 1]" 1
328 1 17 GLY HA3 1 22 GLU HB2 4.660 . 4.660 4.040 3.348 4.688 0.028 6 0 "[ . 1]" 1
329 1 17 GLY HA3 1 22 GLU HB3 4.370 . 4.370 2.504 2.142 2.978 . 0 0 "[ . 1]" 1
330 1 18 THR H 1 18 THR HB 3.950 . 3.950 3.598 2.588 3.797 . 0 0 "[ . 1]" 1
331 1 18 THR H 1 18 THR MG 3.140 . 3.140 2.721 2.461 3.812 0.672 3 1 "[ + . 1]" 1
332 1 18 THR H 1 19 ASN H 2.830 . 2.830 2.256 2.162 2.431 . 0 0 "[ . 1]" 1
333 1 18 THR H 1 19 ASN HB2 5.500 . 5.500 4.779 3.985 6.026 0.526 3 1 "[ + . 1]" 1
334 1 18 THR H 1 19 ASN QB 5.340 . 5.340 4.357 3.812 4.959 . 0 0 "[ . 1]" 1
335 1 18 THR H 1 19 ASN HB3 5.500 . 5.500 5.375 4.857 5.970 0.470 1 0 "[ . 1]" 1
336 1 18 THR H 1 19 ASN QD 5.340 . 5.340 4.620 3.211 6.203 0.863 6 1 "[ .+ 1]" 1
337 1 18 THR H 1 22 GLU H 5.500 . 5.500 5.057 4.544 5.469 . 0 0 "[ . 1]" 1
338 1 18 THR H 1 22 GLU HB2 5.280 . 5.280 3.390 2.674 3.861 . 0 0 "[ . 1]" 1
339 1 18 THR H 1 22 GLU HB3 4.380 . 4.380 2.908 2.538 3.208 . 0 0 "[ . 1]" 1
340 1 18 THR H 1 22 GLU QG 5.340 . 5.340 3.410 2.912 3.906 . 0 0 "[ . 1]" 1
341 1 18 THR HA 1 19 ASN H 3.540 . 3.540 3.415 3.180 3.521 . 0 0 "[ . 1]" 1
342 1 18 THR MG 1 19 ASN H 4.010 . 4.010 4.082 3.773 4.306 0.296 5 0 "[ . 1]" 1
343 1 19 ASN H 1 19 ASN QB 3.610 . 3.610 2.747 2.390 3.095 . 0 0 "[ . 1]" 1
344 1 19 ASN H 1 19 ASN QD 4.670 . 4.670 3.617 2.448 4.921 0.251 6 0 "[ . 1]" 1
345 1 19 ASN H 1 20 GLU H 4.710 . 4.710 4.489 4.421 4.569 . 0 0 "[ . 1]" 1
346 1 19 ASN H 1 22 GLU HB2 4.330 . 4.330 2.778 2.184 3.337 . 0 0 "[ . 1]" 1
347 1 19 ASN H 1 22 GLU HB3 4.940 . 4.940 2.854 2.395 3.577 . 0 0 "[ . 1]" 1
348 1 19 ASN HA 1 20 GLU H 2.850 . 2.850 2.380 2.298 2.477 . 0 0 "[ . 1]" 1
349 1 19 ASN HA 1 21 ASP H 4.800 . 4.800 4.214 4.004 4.911 0.111 6 0 "[ . 1]" 1
350 1 19 ASN QB 1 20 GLU H 3.430 . 3.430 2.630 2.285 3.194 . 0 0 "[ . 1]" 1
351 1 19 ASN QB 1 21 ASP H 4.190 . 4.190 2.626 2.161 3.526 . 0 0 "[ . 1]" 1
352 1 19 ASN QB 1 22 GLU H 4.740 . 4.740 2.966 2.101 3.972 . 0 0 "[ . 1]" 1
353 1 19 ASN HB2 1 20 GLU H 4.130 . 4.130 3.450 2.369 4.204 0.074 8 0 "[ . 1]" 1
354 1 19 ASN HB2 1 21 ASP H 4.880 . 4.880 3.385 2.525 5.207 0.327 6 0 "[ . 1]" 1
355 1 19 ASN HB2 1 22 GLU H 5.500 . 5.500 3.480 2.457 4.174 . 0 0 "[ . 1]" 1
356 1 19 ASN HB3 1 20 GLU H 4.130 . 4.130 3.054 2.308 3.713 . 0 0 "[ . 1]" 1
357 1 19 ASN HB3 1 21 ASP H 4.880 . 4.880 3.175 2.171 4.140 . 0 0 "[ . 1]" 1
358 1 19 ASN QD 1 22 GLU H 5.010 . 5.010 4.493 2.926 5.146 0.136 10 0 "[ . 1]" 1
359 1 19 ASN QD 1 22 GLU HB2 4.410 . 4.410 3.798 2.494 5.307 0.897 6 2 "[ .+ -]" 1
360 1 20 GLU H 1 20 GLU QB 3.580 . 3.580 2.372 2.213 2.576 . 0 0 "[ . 1]" 1
361 1 20 GLU H 1 20 GLU HB3 4.190 . 4.190 2.783 2.368 3.610 . 0 0 "[ . 1]" 1
362 1 20 GLU H 1 20 GLU QG 3.880 . 3.880 2.959 2.028 3.996 0.116 4 0 "[ . 1]" 1
363 1 20 GLU HA 1 21 ASP H 3.530 . 3.530 3.461 3.328 3.603 0.073 8 0 "[ . 1]" 1
364 1 20 GLU HA 1 22 GLU H 4.380 . 4.380 4.072 3.518 4.475 0.095 5 0 "[ . 1]" 1
365 1 20 GLU QG 1 21 ASP H 4.540 . 4.540 3.539 2.508 4.615 0.075 10 0 "[ . 1]" 1
366 1 20 GLU HG2 1 21 ASP H 5.360 . 5.360 3.877 2.664 4.933 . 0 0 "[ . 1]" 1
367 1 20 GLU HG3 1 21 ASP H 5.360 . 5.360 4.237 2.840 5.552 0.192 10 0 "[ . 1]" 1
368 1 21 ASP H 1 21 ASP QB 3.120 . 3.120 2.468 2.332 2.651 . 0 0 "[ . 1]" 1
369 1 21 ASP H 1 22 GLU H 3.030 . 3.030 2.452 2.138 3.193 0.163 6 0 "[ . 1]" 1
370 1 21 ASP H 1 22 GLU HB3 5.500 . 5.500 5.189 4.575 5.698 0.198 6 0 "[ . 1]" 1
371 1 21 ASP QB 1 22 GLU H 4.360 . 4.360 3.017 2.421 3.740 . 0 0 "[ . 1]" 1
372 1 21 ASP HB2 1 22 GLU H 5.080 . 5.080 3.380 2.465 4.321 . 0 0 "[ . 1]" 1
373 1 21 ASP HB3 1 22 GLU H 5.080 . 5.080 3.785 2.796 4.377 . 0 0 "[ . 1]" 1
374 1 22 GLU H 1 22 GLU HB2 3.150 . 3.150 2.294 2.109 2.598 . 0 0 "[ . 1]" 1
375 1 22 GLU H 1 22 GLU HB3 4.070 . 4.070 2.937 2.623 3.424 . 0 0 "[ . 1]" 1
376 1 22 GLU H 1 23 LEU H 4.890 . 4.890 4.584 4.085 4.683 . 0 0 "[ . 1]" 1
377 1 22 GLU H 1 53 GLY HA3 5.500 . 5.500 5.137 4.884 5.342 . 0 0 "[ . 1]" 1
378 1 22 GLU H 1 54 VAL H 5.020 . 5.020 5.237 4.861 5.503 0.483 6 0 "[ . 1]" 1
379 1 22 GLU H 1 54 VAL MG2 4.850 . 4.850 4.951 4.396 5.312 0.462 10 0 "[ . 1]" 1
380 1 22 GLU HA 1 22 GLU QG 3.740 . 3.740 2.238 2.035 2.484 . 0 0 "[ . 1]" 1
381 1 22 GLU HA 1 23 LEU H 2.860 . 2.860 2.243 2.221 2.269 . 0 0 "[ . 1]" 1
382 1 22 GLU HA 1 53 GLY HA3 4.840 . 4.840 3.509 2.876 4.247 . 0 0 "[ . 1]" 1
383 1 22 GLU HA 1 54 VAL H 3.070 . 3.070 3.116 2.847 3.324 0.254 6 0 "[ . 1]" 1
384 1 22 GLU HA 1 54 VAL MG2 3.660 . 3.660 3.328 2.945 3.656 . 0 0 "[ . 1]" 1
385 1 22 GLU HB3 1 23 LEU H 4.300 . 4.300 3.676 3.185 4.281 . 0 0 "[ . 1]" 1
386 1 22 GLU QG 1 23 LEU H 3.750 . 3.750 2.768 2.321 3.851 0.101 9 0 "[ . 1]" 1
387 1 22 GLU QG 1 43 TRP HH2 5.340 . 5.340 4.233 3.252 5.009 . 0 0 "[ . 1]" 1
388 1 22 GLU QG 1 43 TRP HZ3 4.670 . 4.670 3.263 2.629 4.217 . 0 0 "[ . 1]" 1
389 1 22 GLU QG 1 55 PHE HA 4.610 . 4.610 3.625 2.870 4.483 . 0 0 "[ . 1]" 1
390 1 22 GLU HG2 1 43 TRP HH2 5.500 . 5.500 5.168 4.517 5.783 0.283 8 0 "[ . 1]" 1
391 1 22 GLU HG3 1 43 TRP HH2 5.500 . 5.500 4.540 3.334 5.763 0.263 6 0 "[ . 1]" 1
392 1 23 LEU H 1 23 LEU HB2 3.590 . 3.590 2.175 2.111 2.215 . 0 0 "[ . 1]" 1
393 1 23 LEU H 1 23 LEU HB3 3.590 . 3.590 3.296 3.091 3.517 . 0 0 "[ . 1]" 1
394 1 23 LEU H 1 24 THR H 4.610 . 4.610 4.607 4.338 4.673 0.063 6 0 "[ . 1]" 1
395 1 23 LEU H 1 43 TRP HZ3 5.500 . 5.500 5.462 4.847 5.746 0.246 7 0 "[ . 1]" 1
396 1 23 LEU H 1 53 GLY HA2 5.500 . 5.500 4.930 3.901 5.378 . 0 0 "[ . 1]" 1
397 1 23 LEU H 1 53 GLY HA3 4.130 . 4.130 3.418 2.507 3.830 . 0 0 "[ . 1]" 1
398 1 23 LEU H 1 54 VAL H 3.900 . 3.900 3.889 2.952 4.252 0.352 3 0 "[ . 1]" 1
399 1 23 LEU H 1 54 VAL MG2 4.450 . 4.450 4.393 3.958 4.610 0.160 6 0 "[ . 1]" 1
400 1 23 LEU H 1 55 PHE HA 5.120 . 5.120 4.841 4.122 5.339 0.219 6 0 "[ . 1]" 1
401 1 23 LEU H 1 55 PHE HB2 5.450 . 5.450 4.880 4.180 5.441 . 0 0 "[ . 1]" 1
402 1 23 LEU HB2 1 24 THR H 4.470 . 4.470 4.236 3.984 4.704 0.234 4 0 "[ . 1]" 1
403 1 23 LEU HB2 1 53 GLY HA2 5.500 . 5.500 5.105 3.946 5.607 0.107 7 0 "[ . 1]" 1
404 1 23 LEU HB2 1 55 PHE QD 4.680 . 4.680 3.010 2.093 4.113 . 0 0 "[ . 1]" 1
405 1 23 LEU HB3 1 24 THR H 4.470 . 4.470 3.181 2.656 4.236 . 0 0 "[ . 1]" 1
406 1 23 LEU HB3 1 55 PHE QD 5.480 . 5.480 4.021 3.046 5.309 . 0 0 "[ . 1]" 1
407 1 23 LEU HG 1 24 THR H 4.390 . 4.390 3.979 2.541 4.556 0.166 4 0 "[ . 1]" 1
408 1 23 LEU HG 1 48 LEU H 4.600 . 4.600 4.479 3.985 4.928 0.328 7 0 "[ . 1]" 1
409 1 23 LEU HG 1 48 LEU HB3 4.700 . 4.700 4.190 3.034 4.812 0.112 3 0 "[ . 1]" 1
410 1 23 LEU HG 1 51 LYS H 5.500 . 5.500 5.748 5.360 6.105 0.605 1 1 "[+ . 1]" 1
411 1 23 LEU HG 1 51 LYS HB3 5.190 . 5.190 4.038 3.510 4.774 . 0 0 "[ . 1]" 1
412 1 23 LEU HG 1 52 GLU H 5.410 . 5.410 5.380 4.759 6.464 1.054 9 2 "[ - . +1]" 1
413 1 23 LEU HG 1 52 GLU HA 3.980 . 3.980 4.188 3.710 5.188 1.208 9 2 "[ - . +1]" 1
414 1 23 LEU HG 1 53 GLY H 4.150 . 4.150 3.809 3.253 5.157 1.007 2 2 "[ + . -1]" 1
415 1 23 LEU HG 1 53 GLY HA2 5.420 . 5.420 4.962 4.320 6.313 0.893 9 2 "[ - . +1]" 1
416 1 23 LEU HG 1 53 GLY HA3 4.320 . 4.320 3.417 2.755 4.705 0.385 9 0 "[ . 1]" 1
417 1 23 LEU HG 1 54 VAL H 5.500 . 5.500 5.649 4.926 6.975 1.475 2 2 "[ + . -1]" 1
418 1 24 THR H 1 24 THR HB 2.850 . 2.850 2.707 2.553 2.778 . 0 0 "[ . 1]" 1
419 1 24 THR H 1 24 THR MG 3.910 . 3.910 3.892 3.795 3.934 0.024 3 0 "[ . 1]" 1
420 1 24 THR H 1 25 PHE H 4.780 . 4.780 4.483 4.367 4.698 . 0 0 "[ . 1]" 1
421 1 24 THR H 1 48 LEU QD 5.360 . 5.360 4.013 3.104 5.340 . 0 0 "[ . 1]" 1
422 1 24 THR HA 1 24 THR MG 3.510 . 3.510 2.381 2.366 2.403 . 0 0 "[ . 1]" 1
423 1 24 THR HA 1 25 PHE H 2.680 . 2.680 2.274 2.225 2.320 . 0 0 "[ . 1]" 1
424 1 24 THR HB 1 25 PHE H 4.410 . 4.410 4.046 3.879 4.241 . 0 0 "[ . 1]" 1
425 1 24 THR MG 1 25 PHE H 2.990 . 2.990 2.418 2.190 2.703 . 0 0 "[ . 1]" 1
426 1 24 THR MG 1 25 PHE HA 4.340 . 4.340 3.283 3.215 3.399 . 0 0 "[ . 1]" 1
427 1 24 THR MG 1 26 ARG H 5.130 . 5.130 4.988 4.842 5.035 . 0 0 "[ . 1]" 1
428 1 25 PHE H 1 26 ARG H 4.770 . 4.770 4.424 4.407 4.434 . 0 0 "[ . 1]" 1
429 1 25 PHE H 1 48 LEU QD 4.990 . 4.990 4.644 4.062 4.945 . 0 0 "[ . 1]" 1
430 1 25 PHE HA 1 26 ARG H 2.910 . 2.910 2.442 2.404 2.487 . 0 0 "[ . 1]" 1
431 1 25 PHE HA 1 48 LEU QD 3.890 . 3.890 3.203 2.632 3.471 . 0 0 "[ . 1]" 1
432 1 25 PHE QB 1 26 ARG H 3.300 . 3.300 2.334 2.262 2.453 . 0 0 "[ . 1]" 1
433 1 25 PHE QB 1 48 LEU QD 3.520 . 3.520 1.981 1.672 2.249 . 0 0 "[ . 1]" 1
434 1 25 PHE HB2 1 26 ARG H 3.990 . 3.990 2.363 2.284 2.485 . 0 0 "[ . 1]" 1
435 1 25 PHE HB3 1 26 ARG H 3.990 . 3.990 3.639 3.501 3.797 . 0 0 "[ . 1]" 1
436 1 26 ARG H 1 26 ARG HB2 3.820 . 3.820 2.602 2.342 3.769 . 0 0 "[ . 1]" 1
437 1 26 ARG H 1 26 ARG QB 3.130 . 3.130 2.459 2.311 2.672 . 0 0 "[ . 1]" 1
438 1 26 ARG H 1 26 ARG HB3 3.820 . 3.820 3.579 2.733 3.756 . 0 0 "[ . 1]" 1
439 1 26 ARG H 1 26 ARG QG 3.730 . 3.730 3.116 2.363 3.888 0.158 5 0 "[ . 1]" 1
440 1 26 ARG H 1 27 GLU H 5.080 . 5.080 4.594 4.585 4.606 . 0 0 "[ . 1]" 1
441 1 26 ARG H 1 29 GLU QB 4.950 . 4.950 3.658 3.186 3.947 . 0 0 "[ . 1]" 1
442 1 26 ARG H 1 29 GLU HB3 5.080 . 5.080 4.555 3.798 5.023 . 0 0 "[ . 1]" 1
443 1 26 ARG H 1 29 GLU QG 4.630 . 4.630 3.685 3.095 4.148 . 0 0 "[ . 1]" 1
444 1 26 ARG H 1 48 LEU QD 4.080 . 4.080 4.053 3.641 4.350 0.270 8 0 "[ . 1]" 1
445 1 26 ARG HA 1 26 ARG QG 3.710 . 3.710 2.494 2.228 3.312 . 0 0 "[ . 1]" 1
446 1 26 ARG HA 1 27 GLU H 2.960 . 2.960 2.550 2.489 2.609 . 0 0 "[ . 1]" 1
447 1 26 ARG QB 1 27 GLU H 3.280 . 3.280 2.389 2.287 2.533 . 0 0 "[ . 1]" 1
448 1 26 ARG HD2 1 27 GLU H 5.500 . 5.500 5.300 4.816 5.865 0.365 7 0 "[ . 1]" 1
449 1 26 ARG HD3 1 27 GLU H 5.500 . 5.500 5.366 4.709 5.759 0.259 10 0 "[ . 1]" 1
450 1 27 GLU H 1 27 GLU HB2 2.970 . 2.970 2.641 2.370 3.613 0.643 1 1 "[+ . 1]" 1
451 1 27 GLU H 1 27 GLU QB 2.590 . 2.590 2.263 2.178 2.604 0.014 1 0 "[ . 1]" 1
452 1 27 GLU H 1 27 GLU HB3 2.970 . 2.970 2.515 2.306 2.671 . 0 0 "[ . 1]" 1
453 1 27 GLU H 1 28 GLY H 4.780 . 4.780 4.643 4.567 4.683 . 0 0 "[ . 1]" 1
454 1 27 GLU HA 1 28 GLY H 2.870 . 2.870 2.205 2.137 2.258 . 0 0 "[ . 1]" 1
455 1 27 GLU HA 1 29 GLU H 4.500 . 4.500 4.416 3.233 4.782 0.282 5 0 "[ . 1]" 1
456 1 27 GLU HB2 1 28 GLY H 4.720 . 4.720 4.026 3.313 4.277 . 0 0 "[ . 1]" 1
457 1 27 GLU HB3 1 28 GLY H 4.720 . 4.720 4.065 3.928 4.202 . 0 0 "[ . 1]" 1
458 1 28 GLY H 1 29 GLU H 3.150 . 3.150 2.783 2.459 3.014 . 0 0 "[ . 1]" 1
459 1 29 GLU H 1 29 GLU HB2 3.880 . 3.880 3.027 2.471 3.277 . 0 0 "[ . 1]" 1
460 1 29 GLU H 1 29 GLU QB 3.080 . 3.080 2.852 2.338 2.995 . 0 0 "[ . 1]" 1
461 1 29 GLU H 1 29 GLU HB3 4.110 . 4.110 3.588 2.888 3.992 . 0 0 "[ . 1]" 1
462 1 29 GLU H 1 30 ILE H 4.670 . 4.670 4.132 3.991 4.502 . 0 0 "[ . 1]" 1
463 1 29 GLU H 1 30 ILE HG12 5.500 . 5.500 4.855 4.591 5.577 0.077 6 0 "[ . 1]" 1
464 1 29 GLU H 1 31 ILE HG13 5.500 . 5.500 5.333 5.071 5.791 0.291 1 0 "[ . 1]" 1
465 1 29 GLU HA 1 29 GLU QG 3.530 . 3.530 2.454 2.336 2.698 . 0 0 "[ . 1]" 1
466 1 29 GLU HA 1 30 ILE H 2.810 . 2.810 2.195 2.152 2.219 . 0 0 "[ . 1]" 1
467 1 29 GLU HA 1 30 ILE HB 5.040 . 5.040 4.720 4.666 4.765 . 0 0 "[ . 1]" 1
468 1 29 GLU HA 1 30 ILE HG12 4.880 . 4.880 3.753 3.713 3.812 . 0 0 "[ . 1]" 1
469 1 29 GLU QB 1 30 ILE H 3.420 . 3.420 3.445 3.112 3.687 0.267 8 0 "[ . 1]" 1
470 1 29 GLU HB3 1 30 ILE H 3.680 . 3.680 3.610 3.216 3.951 0.271 8 0 "[ . 1]" 1
471 1 29 GLU QG 1 30 ILE H 5.340 . 5.340 3.895 3.376 4.457 . 0 0 "[ . 1]" 1
472 1 29 GLU QG 1 48 LEU QD 5.130 . 5.130 3.332 2.451 4.544 . 0 0 "[ . 1]" 1
473 1 30 ILE H 1 30 ILE HB 3.020 . 3.020 2.546 2.511 2.570 . 0 0 "[ . 1]" 1
474 1 30 ILE H 1 30 ILE MD 4.220 . 4.220 3.370 3.283 3.443 . 0 0 "[ . 1]" 1
475 1 30 ILE H 1 30 ILE HG12 3.850 . 3.850 2.353 2.277 2.422 . 0 0 "[ . 1]" 1
476 1 30 ILE H 1 30 ILE HG13 4.070 . 4.070 3.784 3.728 3.843 . 0 0 "[ . 1]" 1
477 1 30 ILE H 1 30 ILE MG 4.050 . 4.050 3.818 3.802 3.831 . 0 0 "[ . 1]" 1
478 1 30 ILE H 1 31 ILE H 4.790 . 4.790 4.524 4.480 4.543 . 0 0 "[ . 1]" 1
479 1 30 ILE HA 1 30 ILE MD 4.050 . 4.050 2.045 2.012 2.068 . 0 0 "[ . 1]" 1
480 1 30 ILE HA 1 30 ILE MG 3.570 . 3.570 2.382 2.363 2.396 . 0 0 "[ . 1]" 1
481 1 30 ILE HA 1 31 ILE H 2.820 . 2.820 2.117 2.101 2.132 . 0 0 "[ . 1]" 1
482 1 30 ILE HA 1 31 ILE HB 4.960 . 4.960 4.639 4.607 4.665 . 0 0 "[ . 1]" 1
483 1 30 ILE HB 1 31 ILE H 4.870 . 4.870 4.192 4.158 4.225 . 0 0 "[ . 1]" 1
484 1 30 ILE MD 1 31 ILE H 5.300 . 5.300 3.645 3.587 3.697 . 0 0 "[ . 1]" 1
485 1 30 ILE HG12 1 31 ILE H 5.500 . 5.500 5.101 5.053 5.140 . 0 0 "[ . 1]" 1
486 1 30 ILE HG13 1 30 ILE MG 3.460 . 3.460 2.340 2.326 2.359 . 0 0 "[ . 1]" 1
487 1 30 ILE HG13 1 31 ILE H 5.500 . 5.500 5.406 5.365 5.456 . 0 0 "[ . 1]" 1
488 1 30 ILE MG 1 31 ILE H 3.440 . 3.440 2.696 2.646 2.768 . 0 0 "[ . 1]" 1
489 1 30 ILE MG 1 32 HIS H 5.020 . 5.020 4.616 4.433 4.781 . 0 0 "[ . 1]" 1
490 1 31 ILE H 1 31 ILE HB 3.200 . 3.200 2.628 2.597 2.649 . 0 0 "[ . 1]" 1
491 1 31 ILE H 1 31 ILE MD 4.370 . 4.370 3.855 3.801 4.046 . 0 0 "[ . 1]" 1
492 1 31 ILE H 1 31 ILE HG12 4.710 . 4.710 3.678 2.606 3.827 . 0 0 "[ . 1]" 1
493 1 31 ILE H 1 31 ILE HG13 3.530 . 3.530 2.663 2.540 3.535 0.005 1 0 "[ . 1]" 1
494 1 31 ILE H 1 31 ILE MG 4.440 . 4.440 3.864 3.853 3.876 . 0 0 "[ . 1]" 1
495 1 31 ILE H 1 32 HIS H 4.880 . 4.880 4.540 4.495 4.564 . 0 0 "[ . 1]" 1
496 1 31 ILE H 1 32 HIS HA 5.090 . 5.090 5.056 5.006 5.112 0.022 7 0 "[ . 1]" 1
497 1 31 ILE HA 1 31 ILE MD 4.440 . 4.440 3.751 2.597 3.891 . 0 0 "[ . 1]" 1
498 1 31 ILE HA 1 31 ILE HG12 3.930 . 3.930 2.639 2.584 2.760 . 0 0 "[ . 1]" 1
499 1 31 ILE HA 1 31 ILE HG13 3.890 . 3.890 3.146 3.052 3.829 . 0 0 "[ . 1]" 1
500 1 31 ILE HA 1 31 ILE MG 3.460 . 3.460 2.353 2.333 2.381 . 0 0 "[ . 1]" 1
501 1 31 ILE HA 1 32 HIS H 2.800 . 2.800 2.241 2.127 2.337 . 0 0 "[ . 1]" 1
502 1 31 ILE HA 1 47 GLU H 4.960 . 4.960 4.816 4.411 5.125 0.165 1 0 "[ . 1]" 1
503 1 31 ILE HB 1 31 ILE MD 3.670 . 3.670 2.475 2.377 3.157 . 0 0 "[ . 1]" 1
504 1 31 ILE HB 1 32 HIS H 4.180 . 4.180 3.836 3.688 3.942 . 0 0 "[ . 1]" 1
505 1 31 ILE MD 1 31 ILE MG 3.330 . 3.330 1.944 1.866 1.974 . 0 0 "[ . 1]" 1
506 1 31 ILE MD 1 32 HIS H 5.210 . 5.210 4.737 3.874 4.952 . 0 0 "[ . 1]" 1
507 1 31 ILE MD 1 48 LEU HB2 5.230 . 5.230 3.585 2.572 4.008 . 0 0 "[ . 1]" 1
508 1 31 ILE MD 1 55 PHE QD 4.300 . 4.300 4.367 3.933 5.475 1.175 1 1 "[+ . 1]" 1
509 1 31 ILE MD 1 55 PHE QE 4.020 . 4.020 3.641 3.246 4.247 0.227 1 0 "[ . 1]" 1
510 1 31 ILE MD 1 55 PHE HZ 4.650 . 4.650 3.760 3.026 4.575 . 0 0 "[ . 1]" 1
511 1 31 ILE MD 1 60 ALA MB 4.340 . 4.340 3.311 2.962 4.468 0.128 1 0 "[ . 1]" 1
512 1 31 ILE HG13 1 32 HIS H 5.500 . 5.500 5.012 4.946 5.358 . 0 0 "[ . 1]" 1
513 1 31 ILE MG 1 32 HIS H 3.120 . 3.120 2.193 2.013 2.356 . 0 0 "[ . 1]" 1
514 1 31 ILE MG 1 33 LEU H 4.860 . 4.860 4.513 4.405 4.600 . 0 0 "[ . 1]" 1
515 1 31 ILE MG 1 46 GLY H 5.010 . 5.010 4.279 3.930 4.595 . 0 0 "[ . 1]" 1
516 1 31 ILE MG 1 46 GLY HA2 4.140 . 4.140 3.568 3.313 3.809 . 0 0 "[ . 1]" 1
517 1 31 ILE MG 1 46 GLY HA3 3.600 . 3.600 2.420 2.081 2.693 . 0 0 "[ . 1]" 1
518 1 31 ILE MG 1 47 GLU H 3.440 . 3.440 2.677 2.472 3.109 . 0 0 "[ . 1]" 1
519 1 31 ILE MG 1 48 LEU H 5.500 . 5.500 4.335 4.078 4.839 . 0 0 "[ . 1]" 1
520 1 31 ILE MG 1 55 PHE QD 4.580 . 4.580 4.695 4.075 4.994 0.414 1 0 "[ . 1]" 1
521 1 31 ILE MG 1 55 PHE QE 4.010 . 4.010 3.427 3.131 3.994 . 0 0 "[ . 1]" 1
522 1 31 ILE MG 1 55 PHE HZ 4.930 . 4.930 3.327 2.560 4.337 . 0 0 "[ . 1]" 1
523 1 32 HIS H 1 32 HIS HB2 3.690 . 3.690 2.552 2.224 2.814 . 0 0 "[ . 1]" 1
524 1 32 HIS H 1 32 HIS QB 3.120 . 3.120 2.477 2.200 2.725 . 0 0 "[ . 1]" 1
525 1 32 HIS H 1 32 HIS HB3 3.690 . 3.690 3.545 2.667 3.703 0.013 10 0 "[ . 1]" 1
526 1 32 HIS H 1 46 GLY HA3 5.000 . 5.000 4.389 4.128 4.697 . 0 0 "[ . 1]" 1
527 1 32 HIS H 1 47 GLU H 3.690 . 3.690 2.961 2.643 3.304 . 0 0 "[ . 1]" 1
528 1 32 HIS H 1 47 GLU HB2 5.500 . 5.500 5.037 4.478 5.481 . 0 0 "[ . 1]" 1
529 1 32 HIS H 1 47 GLU HB3 4.950 . 4.950 4.266 3.870 5.008 0.058 6 0 "[ . 1]" 1
530 1 32 HIS H 1 48 LEU HB2 5.500 . 5.500 4.384 4.020 4.932 . 0 0 "[ . 1]" 1
531 1 32 HIS H 1 48 LEU QD 5.440 . 5.440 4.190 3.667 5.005 . 0 0 "[ . 1]" 1
532 1 32 HIS HA 1 33 LEU H 3.080 . 3.080 2.170 2.143 2.192 . 0 0 "[ . 1]" 1
533 1 32 HIS QB 1 47 GLU H 4.520 . 4.520 2.645 2.389 2.827 . 0 0 "[ . 1]" 1
534 1 32 HIS QB 1 47 GLU HB3 4.190 . 4.190 2.836 2.339 3.654 . 0 0 "[ . 1]" 1
535 1 32 HIS HB2 1 47 GLU H 5.250 . 5.250 2.831 2.408 4.047 . 0 0 "[ . 1]" 1
536 1 32 HIS HB3 1 47 GLU H 5.250 . 5.250 3.881 2.668 4.332 . 0 0 "[ . 1]" 1
537 1 33 LEU H 1 33 LEU HB2 3.180 . 3.180 2.498 2.395 2.651 . 0 0 "[ . 1]" 1
538 1 33 LEU H 1 33 LEU HB3 3.290 . 3.290 2.696 2.592 2.815 . 0 0 "[ . 1]" 1
539 1 33 LEU H 1 33 LEU MD1 5.500 . 5.500 4.308 4.283 4.363 . 0 0 "[ . 1]" 1
540 1 33 LEU H 1 33 LEU MD2 5.460 . 5.460 4.222 4.146 4.270 . 0 0 "[ . 1]" 1
541 1 33 LEU H 1 33 LEU HG 4.760 . 4.760 4.480 4.391 4.567 . 0 0 "[ . 1]" 1
542 1 33 LEU HA 1 33 LEU MD2 3.950 . 3.950 2.751 2.493 2.979 . 0 0 "[ . 1]" 1
543 1 33 LEU HA 1 33 LEU HG 4.160 . 4.160 2.462 2.428 2.506 . 0 0 "[ . 1]" 1
544 1 33 LEU HA 1 34 ILE H 2.880 . 2.880 2.128 2.107 2.143 . 0 0 "[ . 1]" 1
545 1 33 LEU HA 1 35 SER H 4.130 . 4.130 4.039 3.994 4.077 . 0 0 "[ . 1]" 1
546 1 33 LEU HA 1 46 GLY HA2 4.020 . 4.020 3.031 2.841 3.430 . 0 0 "[ . 1]" 1
547 1 33 LEU HA 1 47 GLU H 5.020 . 5.020 4.414 4.155 4.802 . 0 0 "[ . 1]" 1
548 1 33 LEU HB2 1 33 LEU MD1 3.570 . 3.570 2.282 2.245 2.323 . 0 0 "[ . 1]" 1
549 1 33 LEU HB3 1 34 ILE H 4.580 . 4.580 4.234 4.083 4.291 . 0 0 "[ . 1]" 1
550 1 33 LEU MD1 1 36 LYS QG 5.270 . 5.270 2.072 1.940 2.275 . 0 0 "[ . 1]" 1
551 1 33 LEU MD1 1 44 TRP HE3 5.500 . 5.500 3.260 2.862 3.936 . 0 0 "[ . 1]" 1
552 1 33 LEU MD1 1 44 TRP HH2 4.520 . 4.520 3.658 3.172 4.351 . 0 0 "[ . 1]" 1
553 1 33 LEU MD1 1 44 TRP HZ3 4.340 . 4.340 2.981 2.340 3.995 . 0 0 "[ . 1]" 1
554 1 33 LEU MD2 1 34 ILE H 3.790 . 3.790 2.598 2.263 2.772 . 0 0 "[ . 1]" 1
555 1 33 LEU MD2 1 35 SER H 3.600 . 3.600 2.440 2.098 2.599 . 0 0 "[ . 1]" 1
556 1 33 LEU MD2 1 36 LYS H 5.090 . 5.090 2.924 2.732 3.060 . 0 0 "[ . 1]" 1
557 1 33 LEU MD2 1 36 LYS QG 5.240 . 5.240 1.905 1.805 2.071 . 0 0 "[ . 1]" 1
558 1 33 LEU MD2 1 44 TRP HE3 5.500 . 5.500 4.595 4.120 5.157 . 0 0 "[ . 1]" 1
559 1 33 LEU MD2 1 45 LYS H 4.090 . 4.090 3.677 3.290 4.086 . 0 0 "[ . 1]" 1
560 1 33 LEU HG 1 34 ILE H 5.220 . 5.220 3.699 3.485 4.018 . 0 0 "[ . 1]" 1
561 1 33 LEU HG 1 35 SER H 5.160 . 5.160 4.271 3.912 4.667 . 0 0 "[ . 1]" 1
562 1 33 LEU HG 1 36 LYS H 5.500 . 5.500 5.450 5.172 5.594 0.094 6 0 "[ . 1]" 1
563 1 33 LEU HG 1 36 LYS QG 4.330 . 4.330 3.516 3.356 3.813 . 0 0 "[ . 1]" 1
564 1 33 LEU HG 1 44 TRP HB3 5.300 . 5.300 3.524 3.197 3.820 . 0 0 "[ . 1]" 1
565 1 33 LEU HG 1 44 TRP HE3 4.170 . 4.170 3.501 2.838 4.042 . 0 0 "[ . 1]" 1
566 1 33 LEU HG 1 44 TRP HZ3 5.500 . 5.500 4.566 3.861 5.343 . 0 0 "[ . 1]" 1
567 1 33 LEU HG 1 55 PHE QE 5.500 . 5.500 5.158 4.041 5.819 0.319 4 0 "[ . 1]" 1
568 1 33 LEU HG 1 55 PHE HZ 5.400 . 5.400 4.469 3.058 5.309 . 0 0 "[ . 1]" 1
569 1 34 ILE H 1 34 ILE HB 3.240 . 3.240 2.588 2.552 2.641 . 0 0 "[ . 1]" 1
570 1 34 ILE H 1 34 ILE HG12 4.330 . 4.330 2.320 2.209 2.387 . 0 0 "[ . 1]" 1
571 1 34 ILE H 1 34 ILE QG 3.610 . 3.610 2.300 2.193 2.364 . 0 0 "[ . 1]" 1
572 1 34 ILE H 1 34 ILE HG13 4.330 . 4.330 3.781 3.703 3.820 . 0 0 "[ . 1]" 1
573 1 34 ILE H 1 34 ILE MG 4.020 . 4.020 3.829 3.820 3.837 . 0 0 "[ . 1]" 1
574 1 34 ILE H 1 35 SER H 2.870 . 2.870 2.420 2.366 2.543 . 0 0 "[ . 1]" 1
575 1 34 ILE H 1 35 SER HA 5.160 . 5.160 4.939 4.904 5.005 . 0 0 "[ . 1]" 1
576 1 34 ILE H 1 45 LYS HB3 4.880 . 4.880 4.163 3.906 4.407 . 0 0 "[ . 1]" 1
577 1 34 ILE H 1 46 GLY H 5.030 . 5.030 4.496 4.396 4.723 . 0 0 "[ . 1]" 1
578 1 34 ILE H 1 46 GLY HA2 3.350 . 3.350 2.234 1.960 2.567 . 0 0 "[ . 1]" 1
579 1 34 ILE H 1 46 GLY HA3 4.090 . 4.090 3.558 3.347 3.753 . 0 0 "[ . 1]" 1
580 1 34 ILE HA 1 34 ILE HG12 3.860 . 3.860 3.167 3.106 3.244 . 0 0 "[ . 1]" 1
581 1 34 ILE HA 1 34 ILE HG13 3.860 . 3.860 3.766 3.744 3.777 . 0 0 "[ . 1]" 1
582 1 34 ILE HA 1 34 ILE MG 3.220 . 3.220 2.361 2.312 2.398 . 0 0 "[ . 1]" 1
583 1 34 ILE HB 1 35 SER H 3.140 . 3.140 2.480 2.410 2.529 . 0 0 "[ . 1]" 1
584 1 34 ILE HB 1 45 LYS H 5.500 . 5.500 4.749 4.275 5.085 . 0 0 "[ . 1]" 1
585 1 34 ILE HB 1 47 GLU H 5.500 . 5.500 5.271 4.953 5.642 0.142 5 0 "[ . 1]" 1
586 1 34 ILE MD 1 46 GLY HA2 4.650 . 4.650 3.548 3.447 3.752 . 0 0 "[ . 1]" 1
587 1 34 ILE MD 1 47 GLU QG 5.450 . 5.450 3.791 2.901 4.292 . 0 0 "[ . 1]" 1
588 1 34 ILE MD 1 52 GLU QB 5.420 . 5.420 4.681 4.467 4.948 . 0 0 "[ . 1]" 1
589 1 34 ILE QG 1 34 ILE MG 3.150 . 3.150 2.270 2.251 2.300 . 0 0 "[ . 1]" 1
590 1 34 ILE QG 1 35 SER H 4.800 . 4.800 3.869 3.784 3.927 . 0 0 "[ . 1]" 1
591 1 34 ILE QG 1 46 GLY H 4.920 . 4.920 4.133 4.020 4.325 . 0 0 "[ . 1]" 1
592 1 34 ILE QG 1 52 GLU QB . . 3.980 3.684 3.443 4.125 0.145 4 0 "[ . 1]" 1
593 1 34 ILE HG12 1 46 GLY HA2 4.200 . 4.200 1.904 1.790 2.140 . 0 0 "[ . 1]" 1
594 1 34 ILE HG12 1 47 GLU H 4.480 . 4.480 3.042 2.670 3.419 . 0 0 "[ . 1]" 1
595 1 34 ILE HG13 1 46 GLY HA2 4.200 . 4.200 3.267 3.087 3.535 . 0 0 "[ . 1]" 1
596 1 34 ILE HG13 1 47 GLU H 4.480 . 4.480 4.035 3.696 4.407 . 0 0 "[ . 1]" 1
597 1 34 ILE MG 1 35 SER H 3.830 . 3.830 3.461 3.417 3.525 . 0 0 "[ . 1]" 1
598 1 34 ILE MG 1 35 SER HA 4.820 . 4.820 4.157 4.067 4.196 . 0 0 "[ . 1]" 1
599 1 34 ILE MG 1 35 SER QB 4.200 . 4.200 3.065 2.704 3.522 . 0 0 "[ . 1]" 1
600 1 34 ILE MG 1 52 GLU QB . . 4.300 4.290 3.973 4.758 0.458 5 0 "[ . 1]" 1
601 1 35 SER H 1 35 SER QB 3.360 . 3.360 2.793 2.741 2.870 . 0 0 "[ . 1]" 1
602 1 35 SER H 1 36 LYS H 4.490 . 4.490 4.197 4.085 4.268 . 0 0 "[ . 1]" 1
603 1 35 SER H 1 45 LYS H 3.820 . 3.820 3.051 2.723 3.284 . 0 0 "[ . 1]" 1
604 1 35 SER H 1 45 LYS HB2 4.780 . 4.780 4.140 3.180 4.475 . 0 0 "[ . 1]" 1
605 1 35 SER H 1 45 LYS HB3 3.870 . 3.870 2.694 2.463 3.274 . 0 0 "[ . 1]" 1
606 1 35 SER H 1 45 LYS QD 4.910 . 4.910 4.437 3.946 5.059 0.149 6 0 "[ . 1]" 1
607 1 35 SER H 1 45 LYS QG 4.380 . 4.380 3.990 3.569 4.926 0.546 5 1 "[ + 1]" 1
608 1 35 SER H 1 46 GLY HA2 4.450 . 4.450 4.097 3.705 4.363 . 0 0 "[ . 1]" 1
609 1 35 SER HA 1 36 LYS H 2.710 . 2.710 2.173 2.132 2.192 . 0 0 "[ . 1]" 1
610 1 35 SER HA 1 36 LYS QG 5.500 . 5.500 4.128 3.862 4.479 . 0 0 "[ . 1]" 1
611 1 35 SER HA 1 37 GLU H 4.070 . 4.070 3.540 3.395 3.675 . 0 0 "[ . 1]" 1
612 1 35 SER QB 1 36 LYS H 3.890 . 3.890 3.591 3.128 3.892 0.002 6 0 "[ . 1]" 1
613 1 35 SER QB 1 37 GLU H 4.020 . 4.020 3.267 2.452 3.795 . 0 0 "[ . 1]" 1
614 1 35 SER QB 1 45 LYS H 4.840 . 4.840 3.905 3.651 4.275 . 0 0 "[ . 1]" 1
615 1 35 SER QB 1 45 LYS HB2 5.300 . 5.300 3.402 2.671 3.816 . 0 0 "[ . 1]" 1
616 1 35 SER QB 1 45 LYS HB3 3.750 . 3.750 2.581 2.101 3.504 . 0 0 "[ . 1]" 1
617 1 35 SER QB 1 45 LYS QD 5.030 . 5.030 3.175 2.750 3.721 . 0 0 "[ . 1]" 1
618 1 35 SER HB2 1 36 LYS H 4.440 . 4.440 4.304 4.169 4.405 . 0 0 "[ . 1]" 1
619 1 35 SER HB2 1 37 GLU H 4.640 . 4.640 4.263 3.772 4.532 . 0 0 "[ . 1]" 1
620 1 35 SER HB2 1 45 LYS HB2 4.950 . 4.950 4.418 3.409 5.203 0.253 8 0 "[ . 1]" 1
621 1 35 SER HB2 1 45 LYS HB3 4.680 . 4.680 3.402 2.402 4.710 0.030 5 0 "[ . 1]" 1
622 1 35 SER HB3 1 36 LYS H 4.440 . 4.440 3.898 3.220 4.335 . 0 0 "[ . 1]" 1
623 1 35 SER HB3 1 37 GLU H 4.640 . 4.640 3.427 2.485 4.072 . 0 0 "[ . 1]" 1
624 1 35 SER HB3 1 45 LYS HB2 4.950 . 4.950 4.043 2.699 5.286 0.336 7 0 "[ . 1]" 1
625 1 35 SER HB3 1 45 LYS HB3 4.680 . 4.680 3.270 2.117 4.568 . 0 0 "[ . 1]" 1
626 1 36 LYS H 1 36 LYS HB2 3.730 . 3.730 2.368 2.227 2.461 . 0 0 "[ . 1]" 1
627 1 36 LYS H 1 36 LYS HD2 5.500 . 5.500 4.544 3.674 5.185 . 0 0 "[ . 1]" 1
628 1 36 LYS H 1 36 LYS HD3 5.500 . 5.500 5.041 4.714 5.435 . 0 0 "[ . 1]" 1
629 1 36 LYS H 1 36 LYS QE 5.340 . 5.340 4.292 3.564 5.107 . 0 0 "[ . 1]" 1
630 1 36 LYS H 1 36 LYS HE3 5.500 . 5.500 4.874 3.898 5.637 0.137 1 0 "[ . 1]" 1
631 1 36 LYS H 1 36 LYS QG 4.140 . 4.140 2.684 2.472 3.055 . 0 0 "[ . 1]" 1
632 1 36 LYS H 1 37 GLU H 3.020 . 3.020 2.431 2.386 2.484 . 0 0 "[ . 1]" 1
633 1 36 LYS H 1 37 GLU QB 5.020 . 5.020 4.324 4.187 4.502 . 0 0 "[ . 1]" 1
634 1 36 LYS HA 1 36 LYS HD2 5.410 . 5.410 4.400 3.900 4.696 . 0 0 "[ . 1]" 1
635 1 36 LYS HA 1 36 LYS QD 4.640 . 4.640 3.949 3.680 4.083 . 0 0 "[ . 1]" 1
636 1 36 LYS HA 1 36 LYS HD3 5.410 . 5.410 4.527 4.293 4.740 . 0 0 "[ . 1]" 1
637 1 36 LYS HA 1 36 LYS QG 3.950 . 3.950 2.354 2.193 2.479 . 0 0 "[ . 1]" 1
638 1 36 LYS HA 1 38 THR MG 4.650 . 4.650 4.033 3.863 4.635 . 0 0 "[ . 1]" 1
639 1 36 LYS HA 1 44 TRP HA 3.870 . 3.870 2.852 2.690 3.176 . 0 0 "[ . 1]" 1
640 1 36 LYS HA 1 44 TRP HD1 3.510 . 3.510 2.784 2.588 3.077 . 0 0 "[ . 1]" 1
641 1 36 LYS HA 1 44 TRP HE1 4.340 . 4.340 3.617 3.247 3.957 . 0 0 "[ . 1]" 1
642 1 36 LYS HA 1 45 LYS H 4.380 . 4.380 3.425 3.071 3.751 . 0 0 "[ . 1]" 1
643 1 36 LYS HB3 1 44 TRP HD1 4.570 . 4.570 3.681 3.497 3.978 . 0 0 "[ . 1]" 1
644 1 36 LYS HB3 1 44 TRP HE1 3.970 . 3.970 2.634 2.245 3.137 . 0 0 "[ . 1]" 1
645 1 36 LYS QD 1 44 TRP HE1 4.660 . 4.660 3.312 2.764 3.989 . 0 0 "[ . 1]" 1
646 1 36 LYS QD 1 44 TRP HH2 5.340 . 5.340 3.953 3.177 5.015 . 0 0 "[ . 1]" 1
647 1 36 LYS QD 1 44 TRP HZ2 4.510 . 4.510 2.750 2.178 3.472 . 0 0 "[ . 1]" 1
648 1 36 LYS HD2 1 44 TRP HZ2 5.060 . 5.060 3.673 2.221 5.109 0.049 1 0 "[ . 1]" 1
649 1 36 LYS HD3 1 44 TRP HZ2 5.060 . 5.060 3.173 2.548 3.533 . 0 0 "[ . 1]" 1
650 1 36 LYS QE 1 44 TRP HE1 5.340 . 5.340 4.670 3.684 5.482 0.142 1 0 "[ . 1]" 1
651 1 36 LYS QG 1 44 TRP HD1 . . 5.060 3.952 3.287 4.294 . 0 0 "[ . 1]" 1
652 1 36 LYS QG 1 44 TRP HE1 4.760 . 4.760 3.293 2.811 3.748 . 0 0 "[ . 1]" 1
653 1 36 LYS QG 1 44 TRP HH2 5.500 . 5.500 4.347 3.838 4.933 . 0 0 "[ . 1]" 1
654 1 37 GLU H 1 37 GLU QB 3.570 . 3.570 2.500 2.442 2.545 . 0 0 "[ . 1]" 1
655 1 37 GLU H 1 37 GLU HG2 5.500 . 5.500 4.599 3.895 4.921 . 0 0 "[ . 1]" 1
656 1 37 GLU H 1 37 GLU QG 4.680 . 4.680 3.906 2.997 4.251 . 0 0 "[ . 1]" 1
657 1 37 GLU H 1 37 GLU HG3 5.500 . 5.500 4.261 3.106 4.695 . 0 0 "[ . 1]" 1
658 1 37 GLU H 1 38 THR H 4.470 . 4.470 3.993 3.862 4.170 . 0 0 "[ . 1]" 1
659 1 37 GLU H 1 38 THR MG 4.280 . 4.280 3.979 3.749 4.787 0.507 3 1 "[ + . 1]" 1
660 1 37 GLU H 1 39 GLY H 5.500 . 5.500 5.411 5.213 5.543 0.043 7 0 "[ . 1]" 1
661 1 37 GLU HA 1 37 GLU QG 3.740 . 3.740 2.527 2.262 3.008 . 0 0 "[ . 1]" 1
662 1 37 GLU HA 1 38 THR H 2.660 . 2.660 2.188 2.113 2.233 . 0 0 "[ . 1]" 1
663 1 37 GLU HA 1 38 THR MG 4.860 . 4.860 3.811 3.635 3.970 . 0 0 "[ . 1]" 1
664 1 37 GLU HA 1 39 GLY H 3.720 . 3.720 3.236 3.156 3.344 . 0 0 "[ . 1]" 1
665 1 37 GLU QB 1 38 THR H 4.010 . 4.010 3.924 3.787 4.033 0.023 5 0 "[ . 1]" 1
666 1 37 GLU QB 1 39 GLY H 4.520 . 4.520 3.924 3.197 4.364 . 0 0 "[ . 1]" 1
667 1 37 GLU HB2 1 38 THR H 4.640 . 4.640 4.580 4.498 4.678 0.038 9 0 "[ . 1]" 1
668 1 37 GLU HB3 1 38 THR H 4.640 . 4.640 4.276 4.050 4.468 . 0 0 "[ . 1]" 1
669 1 37 GLU HG2 1 38 THR H 5.500 . 5.500 4.781 4.002 5.729 0.229 3 0 "[ . 1]" 1
670 1 37 GLU HG2 1 39 GLY H 5.500 . 5.500 4.189 2.722 5.693 0.193 3 0 "[ . 1]" 1
671 1 37 GLU HG3 1 38 THR H 5.500 . 5.500 4.235 3.706 5.325 . 0 0 "[ . 1]" 1
672 1 37 GLU HG3 1 39 GLY H 5.500 . 5.500 3.836 2.603 5.819 0.319 8 0 "[ . 1]" 1
673 1 38 THR H 1 38 THR MG 3.140 . 3.140 2.344 1.966 2.548 . 0 0 "[ . 1]" 1
674 1 38 THR H 1 39 GLY H 2.880 . 2.880 2.409 2.221 2.622 . 0 0 "[ . 1]" 1
675 1 38 THR H 1 39 GLY HA2 5.500 . 5.500 4.841 4.652 5.075 . 0 0 "[ . 1]" 1
676 1 38 THR H 1 39 GLY QA 4.710 . 4.710 4.381 4.236 4.551 . 0 0 "[ . 1]" 1
677 1 38 THR H 1 39 GLY HA3 5.500 . 5.500 5.003 4.877 5.142 . 0 0 "[ . 1]" 1
678 1 38 THR H 1 40 GLU H 3.510 . 3.510 3.122 2.893 3.484 . 0 0 "[ . 1]" 1
679 1 38 THR H 1 43 TRP H 5.390 . 5.390 4.759 4.302 5.146 . 0 0 "[ . 1]" 1
680 1 38 THR HA 1 38 THR MG 3.300 . 3.300 2.484 2.350 3.219 . 0 0 "[ . 1]" 1
681 1 38 THR HA 1 39 GLY H 3.190 . 3.190 3.290 3.252 3.345 0.155 7 0 "[ . 1]" 1
682 1 38 THR HA 1 40 GLU H 4.930 . 4.930 4.590 4.519 4.701 . 0 0 "[ . 1]" 1
683 1 38 THR HB 1 40 GLU H 5.330 . 5.330 4.544 4.332 5.066 . 0 0 "[ . 1]" 1
684 1 38 THR MG 1 39 GLY H 4.540 . 4.540 4.073 3.185 4.237 . 0 0 "[ . 1]" 1
685 1 38 THR MG 1 40 GLU H 4.610 . 4.610 4.266 2.558 4.549 . 0 0 "[ . 1]" 1
686 1 38 THR MG 1 43 TRP H 4.940 . 4.940 5.004 4.200 5.253 0.313 6 0 "[ . 1]" 1
687 1 38 THR MG 1 44 TRP H 4.500 . 4.500 3.997 3.581 4.461 . 0 0 "[ . 1]" 1
688 1 38 THR MG 1 44 TRP HA 3.480 . 3.480 2.648 2.191 3.139 . 0 0 "[ . 1]" 1
689 1 38 THR MG 1 44 TRP HD1 4.520 . 4.520 4.018 3.624 4.349 . 0 0 "[ . 1]" 1
690 1 38 THR MG 1 45 LYS H 3.500 . 3.500 2.970 2.610 3.793 0.293 3 0 "[ . 1]" 1
691 1 38 THR MG 1 45 LYS HA 4.310 . 4.310 3.319 2.919 3.975 . 0 0 "[ . 1]" 1
692 1 38 THR MG 1 45 LYS HB2 3.770 . 3.770 1.897 1.673 2.940 . 0 0 "[ . 1]" 1
693 1 38 THR MG 1 45 LYS HB3 3.770 . 3.770 2.837 2.284 4.144 0.374 3 0 "[ . 1]" 1
694 1 38 THR MG 1 54 VAL HA 4.470 . 4.470 3.354 2.849 4.023 . 0 0 "[ . 1]" 1
695 1 38 THR MG 1 55 PHE H 4.750 . 4.750 4.105 3.449 4.851 0.101 9 0 "[ . 1]" 1
696 1 39 GLY H 1 40 GLU H 3.070 . 3.070 2.264 2.190 2.486 . 0 0 "[ . 1]" 1
697 1 39 GLY H 1 40 GLU HA 5.110 . 5.110 4.767 4.709 4.800 . 0 0 "[ . 1]" 1
698 1 40 GLU H 1 40 GLU HB2 3.820 . 3.820 2.831 2.532 3.047 . 0 0 "[ . 1]" 1
699 1 40 GLU H 1 40 GLU QB 3.090 . 3.090 2.635 2.478 2.760 . 0 0 "[ . 1]" 1
700 1 40 GLU H 1 40 GLU HB3 3.820 . 3.820 3.315 2.792 3.871 0.051 7 0 "[ . 1]" 1
701 1 40 GLU H 1 40 GLU HG2 5.500 . 5.500 4.693 4.071 5.016 . 0 0 "[ . 1]" 1
702 1 40 GLU H 1 40 GLU QG 4.820 . 4.820 3.858 2.890 4.293 . 0 0 "[ . 1]" 1
703 1 40 GLU H 1 40 GLU HG3 5.500 . 5.500 4.157 2.935 4.666 . 0 0 "[ . 1]" 1
704 1 40 GLU H 1 41 ALA H 4.630 . 4.630 4.322 4.205 4.408 . 0 0 "[ . 1]" 1
705 1 40 GLU H 1 43 TRP H 5.190 . 5.190 4.587 4.396 4.865 . 0 0 "[ . 1]" 1
706 1 40 GLU H 1 43 TRP HB2 4.760 . 4.760 3.394 3.086 3.740 . 0 0 "[ . 1]" 1
707 1 40 GLU HA 1 41 ALA H 2.730 . 2.730 2.178 2.111 2.210 . 0 0 "[ . 1]" 1
708 1 40 GLU HA 1 41 ALA MB 4.910 . 4.910 4.039 3.994 4.064 . 0 0 "[ . 1]" 1
709 1 40 GLU QB 1 41 ALA H 3.880 . 3.880 3.454 3.014 3.761 . 0 0 "[ . 1]" 1
710 1 40 GLU QB 1 43 TRP HB2 4.460 . 4.460 2.214 1.817 2.625 . 0 0 "[ . 1]" 1
711 1 40 GLU QB 1 43 TRP HD1 3.660 . 3.660 2.450 1.950 3.234 . 0 0 "[ . 1]" 1
712 1 40 GLU HB2 1 41 ALA H 4.720 . 4.720 4.303 4.017 4.512 . 0 0 "[ . 1]" 1
713 1 40 GLU HB2 1 43 TRP H 5.400 . 5.400 4.915 3.688 5.547 0.147 3 0 "[ . 1]" 1
714 1 40 GLU HB2 1 43 TRP HD1 4.430 . 4.430 3.673 2.145 4.715 0.285 3 0 "[ . 1]" 1
715 1 40 GLU HB3 1 41 ALA H 4.720 . 4.720 3.653 3.109 4.096 . 0 0 "[ . 1]" 1
716 1 40 GLU HB3 1 43 TRP H 5.400 . 5.400 4.143 3.632 4.945 . 0 0 "[ . 1]" 1
717 1 40 GLU HB3 1 43 TRP HD1 4.430 . 4.430 2.542 2.073 3.294 . 0 0 "[ . 1]" 1
718 1 40 GLU QG 1 41 ALA H 4.810 . 4.810 3.363 2.670 4.338 . 0 0 "[ . 1]" 1
719 1 40 GLU HG2 1 41 ALA H 5.500 . 5.500 4.288 3.125 5.140 . 0 0 "[ . 1]" 1
720 1 40 GLU HG3 1 41 ALA H 5.500 . 5.500 3.655 2.703 5.155 . 0 0 "[ . 1]" 1
721 1 41 ALA H 1 41 ALA MB 2.620 . 2.620 2.259 2.240 2.281 . 0 0 "[ . 1]" 1
722 1 41 ALA H 1 42 GLY H 4.550 . 4.550 4.667 4.646 4.681 0.131 7 0 "[ . 1]" 1
723 1 41 ALA H 1 43 TRP H 5.500 . 5.500 4.696 4.511 4.885 . 0 0 "[ . 1]" 1
724 1 41 ALA HA 1 42 GLY H 3.120 . 3.120 2.210 2.190 2.225 . 0 0 "[ . 1]" 1
725 1 41 ALA HA 1 43 TRP H 4.410 . 4.410 3.363 3.304 3.421 . 0 0 "[ . 1]" 1
726 1 41 ALA MB 1 42 GLY H 3.640 . 3.640 2.905 2.842 2.947 . 0 0 "[ . 1]" 1
727 1 41 ALA MB 1 43 TRP H 5.350 . 5.350 4.367 4.284 4.446 . 0 0 "[ . 1]" 1
728 1 42 GLY H 1 43 TRP H 3.130 . 3.130 2.711 2.620 2.859 . 0 0 "[ . 1]" 1
729 1 42 GLY H 1 43 TRP HD1 5.400 . 5.400 4.761 4.466 5.334 . 0 0 "[ . 1]" 1
730 1 42 GLY QA 1 43 TRP HD1 4.440 . 4.440 3.801 3.333 4.377 . 0 0 "[ . 1]" 1
731 1 42 GLY QA 1 57 ASP H 4.740 . 4.740 4.551 4.061 6.490 1.750 5 1 "[ + 1]" 1
732 1 43 TRP H 1 43 TRP HB2 3.140 . 3.140 2.436 2.345 2.492 . 0 0 "[ . 1]" 1
733 1 43 TRP H 1 43 TRP HB3 4.050 . 4.050 3.662 3.613 3.700 . 0 0 "[ . 1]" 1
734 1 43 TRP H 1 43 TRP HD1 3.510 . 3.510 3.027 2.801 3.308 . 0 0 "[ . 1]" 1
735 1 43 TRP H 1 44 TRP H 5.090 . 5.090 4.515 4.466 4.580 . 0 0 "[ . 1]" 1
736 1 43 TRP H 1 44 TRP HD1 5.010 . 5.010 4.085 3.709 4.490 . 0 0 "[ . 1]" 1
737 1 43 TRP H 1 57 ASP H 5.500 . 5.500 5.857 5.394 7.497 1.997 5 2 "[ + - 1]" 1
738 1 43 TRP HA 1 44 TRP H 2.980 . 2.980 2.169 2.158 2.203 . 0 0 "[ . 1]" 1
739 1 43 TRP HA 1 55 PHE H 4.870 . 4.870 3.899 3.560 4.179 . 0 0 "[ . 1]" 1
740 1 43 TRP HA 1 57 ASP H 3.940 . 3.940 3.872 3.372 4.889 0.949 5 1 "[ + 1]" 1
741 1 43 TRP HB2 1 44 TRP H 4.570 . 4.570 4.210 4.176 4.229 . 0 0 "[ . 1]" 1
742 1 43 TRP HB2 1 54 VAL MG2 5.200 . 5.200 5.102 4.866 5.299 0.099 9 0 "[ . 1]" 1
743 1 43 TRP HB2 1 55 PHE H 5.500 . 5.500 5.155 4.707 5.643 0.143 7 0 "[ . 1]" 1
744 1 43 TRP HB3 1 43 TRP HE3 3.730 . 3.730 2.486 2.399 2.663 . 0 0 "[ . 1]" 1
745 1 43 TRP HB3 1 54 VAL MG1 4.170 . 4.170 3.601 3.077 4.179 0.009 3 0 "[ . 1]" 1
746 1 43 TRP HB3 1 54 VAL MG2 4.370 . 4.370 3.972 3.725 4.161 . 0 0 "[ . 1]" 1
747 1 43 TRP HB3 1 55 PHE H 4.310 . 4.310 3.445 2.986 3.974 . 0 0 "[ . 1]" 1
748 1 43 TRP HE3 1 44 TRP H 4.580 . 4.580 3.673 3.196 4.112 . 0 0 "[ . 1]" 1
749 1 43 TRP HE3 1 54 VAL HA 4.580 . 4.580 3.768 3.611 3.958 . 0 0 "[ . 1]" 1
750 1 43 TRP HE3 1 54 VAL MG1 4.340 . 4.340 3.621 3.468 3.833 . 0 0 "[ . 1]" 1
751 1 43 TRP HE3 1 54 VAL MG2 3.400 . 3.400 2.524 2.207 2.889 . 0 0 "[ . 1]" 1
752 1 43 TRP HE3 1 55 PHE H 3.470 . 3.470 2.324 2.188 2.816 . 0 0 "[ . 1]" 1
753 1 43 TRP HE3 1 55 PHE HA 4.110 . 4.110 3.118 2.637 3.559 . 0 0 "[ . 1]" 1
754 1 43 TRP HE3 1 55 PHE HB2 5.480 . 5.480 5.274 4.965 5.550 0.070 5 0 "[ . 1]" 1
755 1 43 TRP HH2 1 54 VAL MG2 5.500 . 5.500 3.876 3.744 4.022 . 0 0 "[ . 1]" 1
756 1 43 TRP HZ3 1 54 VAL MG2 4.170 . 4.170 2.083 1.848 2.413 . 0 0 "[ . 1]" 1
757 1 43 TRP HZ3 1 55 PHE H 5.080 . 5.080 3.783 3.388 4.157 . 0 0 "[ . 1]" 1
758 1 43 TRP HZ3 1 55 PHE HA 4.030 . 4.030 2.506 2.328 2.854 . 0 0 "[ . 1]" 1
759 1 43 TRP HZ3 1 55 PHE HB2 5.120 . 5.120 4.849 4.609 5.281 0.161 5 0 "[ . 1]" 1
760 1 44 TRP H 1 44 TRP HB2 3.750 . 3.750 2.529 2.481 2.577 . 0 0 "[ . 1]" 1
761 1 44 TRP H 1 44 TRP HB3 3.710 . 3.710 3.696 3.635 3.757 0.047 4 0 "[ . 1]" 1
762 1 44 TRP H 1 44 TRP HD1 4.390 . 4.390 3.712 3.543 3.905 . 0 0 "[ . 1]" 1
763 1 44 TRP H 1 45 LYS H 4.930 . 4.930 4.517 4.502 4.528 . 0 0 "[ . 1]" 1
764 1 44 TRP H 1 54 VAL HA 5.070 . 5.070 4.350 4.175 4.642 . 0 0 "[ . 1]" 1
765 1 44 TRP H 1 55 PHE H 3.610 . 3.610 2.665 2.370 2.972 . 0 0 "[ . 1]" 1
766 1 44 TRP H 1 55 PHE HB3 5.500 . 5.500 5.558 5.368 5.832 0.332 10 0 "[ . 1]" 1
767 1 44 TRP H 1 57 ASP H 4.110 . 4.110 4.190 3.522 4.828 0.718 7 2 "[ . + -1]" 1
768 1 44 TRP HA 1 44 TRP HD1 3.160 . 3.160 2.241 2.083 2.374 . 0 0 "[ . 1]" 1
769 1 44 TRP HA 1 44 TRP HE1 4.720 . 4.720 4.648 4.522 4.752 0.032 4 0 "[ . 1]" 1
770 1 44 TRP HA 1 45 LYS H 3.180 . 3.180 2.329 2.212 2.419 . 0 0 "[ . 1]" 1
771 1 44 TRP HB2 1 57 ASP H 5.500 . 5.500 4.354 3.200 5.035 . 0 0 "[ . 1]" 1
772 1 44 TRP HB3 1 44 TRP HE3 4.000 . 4.000 2.849 2.685 3.047 . 0 0 "[ . 1]" 1
773 1 44 TRP HB3 1 45 LYS H 3.880 . 3.880 2.591 2.426 2.833 . 0 0 "[ . 1]" 1
774 1 44 TRP HB3 1 55 PHE QE 4.550 . 4.550 3.731 2.974 4.245 . 0 0 "[ . 1]" 1
775 1 44 TRP HB3 1 55 PHE HZ 4.170 . 4.170 3.501 2.689 4.201 0.031 1 0 "[ . 1]" 1
776 1 44 TRP HD1 1 45 LYS H 4.700 . 4.700 4.341 4.145 4.567 . 0 0 "[ . 1]" 1
777 1 44 TRP HE1 1 57 ASP HB2 5.170 . 5.170 4.702 3.721 5.505 0.335 3 0 "[ . 1]" 1
778 1 44 TRP HE1 1 57 ASP QB 4.430 . 4.430 4.051 3.390 4.437 0.007 1 0 "[ . 1]" 1
779 1 44 TRP HE1 1 57 ASP HB3 5.170 . 5.170 4.584 3.905 5.520 0.350 5 0 "[ . 1]" 1
780 1 44 TRP HE3 1 55 PHE QD 5.360 . 5.360 5.363 4.786 5.588 0.228 10 0 "[ . 1]" 1
781 1 44 TRP HE3 1 55 PHE QE 3.460 . 3.460 3.527 2.698 3.963 0.503 1 1 "[+ . 1]" 1
782 1 44 TRP HE3 1 60 ALA MB 4.270 . 4.270 4.074 3.297 4.327 0.057 3 0 "[ . 1]" 1
783 1 44 TRP HH2 1 62 GLN H 4.850 . 4.850 3.976 2.851 4.571 . 0 0 "[ . 1]" 1
784 1 44 TRP HH2 1 62 GLN QB 5.340 . 5.340 2.517 2.107 3.131 . 0 0 "[ . 1]" 1
785 1 44 TRP HZ3 1 60 ALA MB 4.410 . 4.410 4.075 3.283 4.489 0.079 2 0 "[ . 1]" 1
786 1 44 TRP HZ3 1 62 GLN H 5.320 . 5.320 4.073 3.386 4.439 . 0 0 "[ . 1]" 1
787 1 44 TRP HZ3 1 62 GLN QB 5.340 . 5.340 2.787 2.290 3.281 . 0 0 "[ . 1]" 1
788 1 45 LYS H 1 45 LYS HB2 3.600 . 3.600 3.028 2.561 3.275 . 0 0 "[ . 1]" 1
789 1 45 LYS H 1 45 LYS HB3 3.600 . 3.600 2.804 2.607 3.440 . 0 0 "[ . 1]" 1
790 1 45 LYS H 1 46 GLY H 5.040 . 5.040 4.411 4.351 4.436 . 0 0 "[ . 1]" 1
791 1 45 LYS H 1 54 VAL MG1 5.150 . 5.150 4.779 4.513 4.940 . 0 0 "[ . 1]" 1
792 1 45 LYS HA 1 45 LYS QG 3.900 . 3.900 2.375 2.143 2.509 . 0 0 "[ . 1]" 1
793 1 45 LYS HA 1 46 GLY H 2.850 . 2.850 2.163 2.143 2.190 . 0 0 "[ . 1]" 1
794 1 45 LYS HA 1 53 GLY H 4.890 . 4.890 4.071 3.879 4.302 . 0 0 "[ . 1]" 1
795 1 45 LYS HA 1 54 VAL HA 3.330 . 3.330 2.443 2.137 2.800 . 0 0 "[ . 1]" 1
796 1 45 LYS HA 1 54 VAL MG1 3.800 . 3.800 3.461 3.112 3.657 . 0 0 "[ . 1]" 1
797 1 45 LYS HA 1 55 PHE H 4.080 . 4.080 3.987 3.523 4.223 0.143 7 0 "[ . 1]" 1
798 1 45 LYS HA 1 55 PHE HB3 5.500 . 5.500 5.613 5.096 5.836 0.336 1 0 "[ . 1]" 1
799 1 45 LYS HA 1 55 PHE QD 4.780 . 4.780 3.442 2.991 3.960 . 0 0 "[ . 1]" 1
800 1 45 LYS HA 1 55 PHE QE 4.820 . 4.820 3.069 2.546 3.746 . 0 0 "[ . 1]" 1
801 1 45 LYS HB2 1 46 GLY H 5.080 . 5.080 4.231 4.051 4.482 . 0 0 "[ . 1]" 1
802 1 45 LYS HB2 1 54 VAL MG1 3.960 . 3.960 2.793 2.420 3.765 . 0 0 "[ . 1]" 1
803 1 45 LYS HB3 1 46 GLY H 5.080 . 5.080 4.034 3.554 4.227 . 0 0 "[ . 1]" 1
804 1 45 LYS QG 1 46 GLY H . . 4.810 2.716 2.464 3.290 . 0 0 "[ . 1]" 1
805 1 45 LYS QG 1 53 GLY H 5.230 . 5.230 2.846 2.552 3.346 . 0 0 "[ . 1]" 1
806 1 46 GLY H 1 47 GLU H 4.830 . 4.830 4.456 4.438 4.477 . 0 0 "[ . 1]" 1
807 1 46 GLY H 1 52 GLU HA 5.500 . 5.500 4.423 4.267 4.685 . 0 0 "[ . 1]" 1
808 1 46 GLY H 1 53 GLY H 3.470 . 3.470 2.853 2.699 3.055 . 0 0 "[ . 1]" 1
809 1 46 GLY H 1 54 VAL HA 4.130 . 4.130 3.952 3.666 4.175 0.045 7 0 "[ . 1]" 1
810 1 46 GLY H 1 55 PHE QD 4.210 . 4.210 3.455 2.651 3.916 . 0 0 "[ . 1]" 1
811 1 46 GLY H 1 55 PHE QE 3.900 . 3.900 2.410 2.048 2.859 . 0 0 "[ . 1]" 1
812 1 46 GLY HA2 1 47 GLU H 3.210 . 3.210 2.523 2.459 2.588 . 0 0 "[ . 1]" 1
813 1 46 GLY HA2 1 55 PHE QE 4.330 . 4.330 3.990 3.369 4.392 0.062 1 0 "[ . 1]" 1
814 1 46 GLY HA3 1 47 GLU H 3.250 . 3.250 2.591 2.535 2.648 . 0 0 "[ . 1]" 1
815 1 46 GLY HA3 1 55 PHE QE 3.890 . 3.890 2.790 2.347 3.112 . 0 0 "[ . 1]" 1
816 1 47 GLU H 1 47 GLU HB2 3.580 . 3.580 2.811 2.504 3.028 . 0 0 "[ . 1]" 1
817 1 47 GLU H 1 47 GLU HB3 3.580 . 3.580 2.978 2.696 3.609 0.029 6 0 "[ . 1]" 1
818 1 47 GLU H 1 55 PHE QE 5.490 . 5.490 5.143 4.773 5.644 0.154 7 0 "[ . 1]" 1
819 1 47 GLU HA 1 48 LEU H 2.690 . 2.690 2.133 2.104 2.168 . 0 0 "[ . 1]" 1
820 1 47 GLU HA 1 51 LYS H 5.120 . 5.120 4.398 4.191 4.540 . 0 0 "[ . 1]" 1
821 1 47 GLU HB3 1 48 LEU H 4.410 . 4.410 3.839 3.225 4.166 . 0 0 "[ . 1]" 1
822 1 47 GLU QG 1 48 LEU H 3.420 . 3.420 2.879 2.629 3.420 0.000 6 0 "[ . 1]" 1
823 1 47 GLU QG 1 50 GLY H 4.130 . 4.130 3.938 2.802 4.922 0.792 6 2 "[ .+ -]" 1
824 1 47 GLU QG 1 51 LYS H 4.190 . 4.190 3.590 3.183 4.091 . 0 0 "[ . 1]" 1
825 1 47 GLU QG 1 52 GLU QB 3.180 . 3.180 2.954 2.431 3.657 0.477 7 0 "[ . 1]" 1
826 1 48 LEU H 1 48 LEU HB2 3.680 . 3.680 3.312 2.983 3.453 . 0 0 "[ . 1]" 1
827 1 48 LEU H 1 48 LEU HB3 3.220 . 3.220 2.921 2.711 3.055 . 0 0 "[ . 1]" 1
828 1 48 LEU H 1 48 LEU MD1 5.370 . 5.370 4.442 4.237 4.768 . 0 0 "[ . 1]" 1
829 1 48 LEU H 1 48 LEU QD 4.530 . 4.530 4.025 3.838 4.095 . 0 0 "[ . 1]" 1
830 1 48 LEU H 1 48 LEU MD2 5.370 . 5.370 4.658 4.047 4.849 . 0 0 "[ . 1]" 1
831 1 48 LEU H 1 48 LEU HG 5.020 . 5.020 4.607 4.459 4.737 . 0 0 "[ . 1]" 1
832 1 48 LEU H 1 49 ASN H 4.700 . 4.700 4.082 4.035 4.133 . 0 0 "[ . 1]" 1
833 1 48 LEU H 1 50 GLY H 4.540 . 4.540 3.975 3.660 4.211 . 0 0 "[ . 1]" 1
834 1 48 LEU H 1 51 LYS H 3.560 . 3.560 2.843 2.720 2.896 . 0 0 "[ . 1]" 1
835 1 48 LEU H 1 51 LYS HB2 5.020 . 5.020 3.927 3.665 4.444 . 0 0 "[ . 1]" 1
836 1 48 LEU HA 1 49 ASN H 2.900 . 2.900 2.133 2.079 2.208 . 0 0 "[ . 1]" 1
837 1 48 LEU HA 1 50 GLY H 4.220 . 4.220 3.854 3.650 4.082 . 0 0 "[ . 1]" 1
838 1 48 LEU HB2 1 48 LEU MD1 3.580 . 3.580 2.316 2.199 2.415 . 0 0 "[ . 1]" 1
839 1 48 LEU HB2 1 48 LEU QD 3.130 . 3.130 2.117 2.095 2.158 . 0 0 "[ . 1]" 1
840 1 48 LEU HB2 1 48 LEU MD2 3.580 . 3.580 2.502 2.347 3.135 . 0 0 "[ . 1]" 1
841 1 48 LEU HB2 1 49 ASN H 4.650 . 4.650 4.365 4.286 4.560 . 0 0 "[ . 1]" 1
842 1 48 LEU HB3 1 49 ASN H 4.600 . 4.600 4.278 4.179 4.431 . 0 0 "[ . 1]" 1
843 1 48 LEU HB3 1 50 GLY H 5.500 . 5.500 5.574 5.167 5.808 0.308 1 0 "[ . 1]" 1
844 1 48 LEU QD 1 49 ASN H 3.310 . 3.310 2.756 2.232 3.428 0.118 5 0 "[ . 1]" 1
845 1 48 LEU QD 1 49 ASN QD 4.190 . 4.190 2.999 2.090 3.821 . 0 0 "[ . 1]" 1
846 1 48 LEU QD 1 50 GLY H 5.000 . 5.000 4.778 4.505 5.132 0.132 5 0 "[ . 1]" 1
847 1 48 LEU MD1 1 49 ASN HD21 5.500 . 5.500 4.380 3.496 5.040 . 0 0 "[ . 1]" 1
848 1 48 LEU MD1 1 49 ASN HD22 5.500 . 5.500 3.855 3.077 4.360 . 0 0 "[ . 1]" 1
849 1 48 LEU MD2 1 49 ASN HD21 5.500 . 5.500 4.194 2.213 5.578 0.078 5 0 "[ . 1]" 1
850 1 48 LEU MD2 1 49 ASN HD22 5.500 . 5.500 3.857 2.599 5.131 . 0 0 "[ . 1]" 1
851 1 48 LEU HG 1 49 ASN H 4.020 . 4.020 3.280 3.074 3.577 . 0 0 "[ . 1]" 1
852 1 48 LEU HG 1 49 ASN HD21 4.640 . 4.640 3.696 1.927 4.774 0.134 7 0 "[ . 1]" 1
853 1 48 LEU HG 1 49 ASN QD 4.000 . 4.000 3.159 1.886 4.161 0.161 7 0 "[ . 1]" 1
854 1 48 LEU HG 1 49 ASN HD22 4.640 . 4.640 3.483 2.684 4.581 . 0 0 "[ . 1]" 1
855 1 49 ASN H 1 49 ASN HA 2.850 . 2.850 2.329 2.292 2.392 . 0 0 "[ . 1]" 1
856 1 49 ASN H 1 49 ASN HB2 4.180 . 4.180 3.624 3.560 3.696 . 0 0 "[ . 1]" 1
857 1 49 ASN H 1 49 ASN QB 3.660 . 3.660 3.397 3.354 3.447 . 0 0 "[ . 1]" 1
858 1 49 ASN H 1 49 ASN HB3 4.180 . 4.180 4.105 4.019 4.146 . 0 0 "[ . 1]" 1
859 1 49 ASN H 1 50 GLY H 3.470 . 3.470 2.674 2.596 2.858 . 0 0 "[ . 1]" 1
860 1 49 ASN H 1 51 LYS H 4.730 . 4.730 4.176 4.091 4.359 . 0 0 "[ . 1]" 1
861 1 49 ASN HA 1 50 GLY H 3.130 . 3.130 2.803 2.706 2.877 . 0 0 "[ . 1]" 1
862 1 49 ASN HA 1 51 LYS H 4.920 . 4.920 4.410 4.320 4.540 . 0 0 "[ . 1]" 1
863 1 49 ASN QB 1 49 ASN QD 3.100 . 3.100 2.294 2.127 2.674 . 0 0 "[ . 1]" 1
864 1 49 ASN QB 1 50 GLY H 4.030 . 4.030 3.913 3.884 3.954 . 0 0 "[ . 1]" 1
865 1 49 ASN QB 1 51 LYS H 4.440 . 4.440 3.585 3.408 3.796 . 0 0 "[ . 1]" 1
866 1 49 ASN HB2 1 50 GLY H 4.730 . 4.730 4.298 4.230 4.410 . 0 0 "[ . 1]" 1
867 1 49 ASN HB2 1 51 LYS H 5.290 . 5.290 3.725 3.522 3.939 . 0 0 "[ . 1]" 1
868 1 49 ASN HB3 1 50 GLY H 4.730 . 4.730 4.506 4.467 4.529 . 0 0 "[ . 1]" 1
869 1 49 ASN HB3 1 51 LYS H 5.290 . 5.290 4.671 4.501 4.967 . 0 0 "[ . 1]" 1
870 1 50 GLY H 1 51 LYS H 3.290 . 3.290 2.832 2.757 2.917 . 0 0 "[ . 1]" 1
871 1 50 GLY H 1 51 LYS HB2 4.960 . 4.960 5.090 4.992 5.261 0.301 4 0 "[ . 1]" 1
872 1 50 GLY H 1 51 LYS QD 5.340 . 5.340 4.727 3.981 5.437 0.097 10 0 "[ . 1]" 1
873 1 51 LYS H 1 51 LYS HB2 3.280 . 3.280 2.402 2.286 2.573 . 0 0 "[ . 1]" 1
874 1 51 LYS H 1 51 LYS QD 3.790 . 3.790 2.969 2.184 3.628 . 0 0 "[ . 1]" 1
875 1 51 LYS H 1 51 LYS HG2 4.960 . 4.960 4.269 2.659 4.702 . 0 0 "[ . 1]" 1
876 1 51 LYS H 1 51 LYS QG 4.070 . 4.070 3.697 2.624 4.185 0.115 2 0 "[ . 1]" 1
877 1 51 LYS H 1 51 LYS HG3 4.710 . 4.710 4.176 3.452 4.693 . 0 0 "[ . 1]" 1
878 1 51 LYS H 1 52 GLU H 4.760 . 4.760 4.476 4.457 4.493 . 0 0 "[ . 1]" 1
879 1 51 LYS HA 1 52 GLU H 2.590 . 2.590 2.159 2.118 2.186 . 0 0 "[ . 1]" 1
880 1 51 LYS HB3 1 52 GLU H 3.370 . 3.370 3.190 2.982 3.275 . 0 0 "[ . 1]" 1
881 1 51 LYS QG 1 52 GLU H 4.120 . 4.120 3.689 2.907 4.640 0.520 4 1 "[ +. 1]" 1
882 1 51 LYS HG2 1 52 GLU H 4.960 . 4.960 4.838 4.027 5.185 0.225 5 0 "[ . 1]" 1
883 1 51 LYS HG3 1 52 GLU H 4.690 . 4.690 3.900 2.945 5.276 0.586 4 1 "[ +. 1]" 1
884 1 52 GLU H 1 52 GLU QB 3.630 . 3.630 2.961 2.857 3.107 . 0 0 "[ . 1]" 1
885 1 52 GLU H 1 52 GLU QG 3.880 . 3.880 2.029 1.819 2.235 . 0 0 "[ . 1]" 1
886 1 52 GLU HA 1 53 GLY H 2.660 . 2.660 2.298 2.262 2.364 . 0 0 "[ . 1]" 1
887 1 52 GLU QB 1 53 GLY H . . 3.610 2.914 2.813 2.972 . 0 0 "[ . 1]" 1
888 1 52 GLU HG2 1 53 GLY H 5.500 . 5.500 5.085 4.664 5.314 . 0 0 "[ . 1]" 1
889 1 52 GLU HG3 1 53 GLY H 5.500 . 5.500 4.635 4.084 5.268 . 0 0 "[ . 1]" 1
890 1 53 GLY H 1 54 VAL H 4.400 . 4.400 4.450 4.444 4.455 0.055 1 0 "[ . 1]" 1
891 1 53 GLY H 1 54 VAL MG1 5.500 . 5.500 4.924 4.805 5.162 . 0 0 "[ . 1]" 1
892 1 53 GLY HA2 1 54 VAL H 3.200 . 3.200 2.464 2.390 2.575 . 0 0 "[ . 1]" 1
893 1 53 GLY HA2 1 54 VAL MG1 3.560 . 3.560 3.456 3.349 3.565 0.005 5 0 "[ . 1]" 1
894 1 53 GLY HA2 1 54 VAL MG2 5.170 . 5.170 4.034 3.947 4.174 . 0 0 "[ . 1]" 1
895 1 53 GLY HA3 1 54 VAL H 3.260 . 3.260 2.633 2.536 2.719 . 0 0 "[ . 1]" 1
896 1 54 VAL H 1 54 VAL HB 4.000 . 4.000 3.727 3.693 3.740 . 0 0 "[ . 1]" 1
897 1 54 VAL H 1 54 VAL MG1 3.300 . 3.300 2.526 2.390 2.620 . 0 0 "[ . 1]" 1
898 1 54 VAL H 1 54 VAL MG2 2.890 . 2.890 2.034 1.983 2.100 . 0 0 "[ . 1]" 1
899 1 54 VAL H 1 55 PHE H 4.750 . 4.750 4.587 4.550 4.636 . 0 0 "[ . 1]" 1
900 1 54 VAL HA 1 54 VAL MG1 3.320 . 3.320 2.352 2.304 2.400 . 0 0 "[ . 1]" 1
901 1 54 VAL HA 1 55 PHE H 2.850 . 2.850 2.358 2.271 2.420 . 0 0 "[ . 1]" 1
902 1 54 VAL HA 1 55 PHE HB3 4.470 . 4.470 4.351 4.208 4.471 0.001 5 0 "[ . 1]" 1
903 1 54 VAL HA 1 55 PHE QD 4.120 . 4.120 3.052 2.507 3.483 . 0 0 "[ . 1]" 1
904 1 54 VAL HB 1 55 PHE HA 5.130 . 5.130 4.230 4.162 4.421 . 0 0 "[ . 1]" 1
905 1 54 VAL MG1 1 55 PHE H 3.840 . 3.840 3.668 3.545 3.829 . 0 0 "[ . 1]" 1
906 1 54 VAL MG2 1 55 PHE H 3.700 . 3.700 3.409 3.188 3.733 0.033 5 0 "[ . 1]" 1
907 1 55 PHE H 1 55 PHE HB3 3.590 . 3.590 3.547 3.377 3.639 0.049 2 0 "[ . 1]" 1
908 1 55 PHE H 1 55 PHE QD 3.580 . 3.580 3.206 2.759 3.615 0.035 2 0 "[ . 1]" 1
909 1 55 PHE HA 1 55 PHE QD 4.230 . 4.230 3.729 3.695 3.743 . 0 0 "[ . 1]" 1
910 1 55 PHE QD 1 57 ASP HA 4.380 . 4.380 3.428 2.923 4.105 . 0 0 "[ . 1]" 1
911 1 55 PHE QD 1 59 PHE H 4.800 . 4.800 4.392 4.223 4.751 . 0 0 "[ . 1]" 1
912 1 55 PHE QD 1 60 ALA MB 4.060 . 4.060 4.304 3.856 4.961 0.901 1 2 "[+- . 1]" 1
913 1 55 PHE QE 1 57 ASP HA 3.980 . 3.980 3.034 2.545 3.579 . 0 0 "[ . 1]" 1
914 1 55 PHE QE 1 57 ASP QB 4.880 . 4.880 4.190 3.698 4.851 . 0 0 "[ . 1]" 1
915 1 55 PHE QE 1 59 PHE H 5.500 . 5.500 4.897 4.469 5.240 . 0 0 "[ . 1]" 1
916 1 55 PHE QE 1 60 ALA H 5.260 . 5.260 4.949 4.645 5.277 0.017 3 0 "[ . 1]" 1
917 1 55 PHE QE 1 60 ALA MB 3.320 . 3.320 2.980 2.536 3.375 0.055 1 0 "[ . 1]" 1
918 1 55 PHE HZ 1 60 ALA MB 4.170 . 4.170 4.324 4.044 4.511 0.341 3 0 "[ . 1]" 1
919 1 56 PRO HA 1 58 ASN H 4.230 . 4.230 3.586 3.292 3.984 . 0 0 "[ . 1]" 1
920 1 56 PRO QB 1 58 ASN H 3.530 . 3.530 2.622 2.338 2.961 . 0 0 "[ . 1]" 1
921 1 56 PRO QB 1 58 ASN QB 4.200 . 4.200 3.269 2.949 3.514 . 0 0 "[ . 1]" 1
922 1 56 PRO QB 1 59 PHE H 4.190 . 4.190 3.534 2.500 4.377 0.187 4 0 "[ . 1]" 1
923 1 56 PRO QB 1 59 PHE QD 4.010 . 4.010 2.717 1.613 3.634 . 0 0 "[ . 1]" 1
924 1 56 PRO HB2 1 57 ASP H 4.370 . 4.370 3.413 2.157 3.911 . 0 0 "[ . 1]" 1
925 1 56 PRO HB2 1 58 ASN H 4.280 . 4.280 2.719 2.397 3.185 . 0 0 "[ . 1]" 1
926 1 56 PRO HB3 1 57 ASP H 4.370 . 4.370 3.610 3.339 4.053 . 0 0 "[ . 1]" 1
927 1 56 PRO HB3 1 58 ASN H 4.280 . 4.280 3.661 3.196 4.044 . 0 0 "[ . 1]" 1
928 1 57 ASP H 1 57 ASP HB2 3.670 . 3.670 3.630 3.532 3.731 0.061 4 0 "[ . 1]" 1
929 1 57 ASP H 1 57 ASP QB 3.100 . 3.100 2.572 2.339 3.215 0.115 5 0 "[ . 1]" 1
930 1 57 ASP H 1 57 ASP HB3 3.670 . 3.670 2.667 2.369 3.698 0.028 5 0 "[ . 1]" 1
931 1 57 ASP H 1 58 ASN H 3.420 . 3.420 2.741 2.075 3.291 . 0 0 "[ . 1]" 1
932 1 57 ASP HA 1 59 PHE H 4.240 . 4.240 3.493 3.284 3.759 . 0 0 "[ . 1]" 1
933 1 57 ASP HA 1 60 ALA H 4.660 . 4.660 3.998 3.587 4.370 . 0 0 "[ . 1]" 1
934 1 57 ASP HB2 1 58 ASN H 4.700 . 4.700 4.507 4.064 4.642 . 0 0 "[ . 1]" 1
935 1 57 ASP HB3 1 58 ASN H 4.700 . 4.700 4.261 2.808 4.754 0.054 3 0 "[ . 1]" 1
936 1 58 ASN H 1 58 ASN HB2 3.710 . 3.710 2.379 2.134 2.435 . 0 0 "[ . 1]" 1
937 1 58 ASN H 1 58 ASN QB 3.060 . 3.060 2.347 2.114 2.398 . 0 0 "[ . 1]" 1
938 1 58 ASN H 1 58 ASN HB3 3.710 . 3.710 3.597 3.442 3.644 . 0 0 "[ . 1]" 1
939 1 58 ASN H 1 58 ASN HD21 5.130 . 5.130 4.056 2.242 4.856 . 0 0 "[ . 1]" 1
940 1 58 ASN H 1 58 ASN QD 4.300 . 4.300 3.774 2.221 4.505 0.205 10 0 "[ . 1]" 1
941 1 58 ASN H 1 58 ASN HD22 5.130 . 5.130 4.579 3.590 5.333 0.203 10 0 "[ . 1]" 1
942 1 58 ASN H 1 59 PHE H 3.170 . 3.170 2.438 2.169 2.676 . 0 0 "[ . 1]" 1
943 1 58 ASN H 1 59 PHE HA 5.500 . 5.500 4.999 4.760 5.209 . 0 0 "[ . 1]" 1
944 1 58 ASN H 1 59 PHE QD 4.280 . 4.280 3.353 2.863 4.768 0.488 5 0 "[ . 1]" 1
945 1 58 ASN H 1 60 ALA H 4.680 . 4.680 4.220 3.950 4.530 . 0 0 "[ . 1]" 1
946 1 58 ASN HA 1 60 ALA H 4.600 . 4.600 3.533 3.395 3.692 . 0 0 "[ . 1]" 1
947 1 58 ASN HB2 1 59 PHE H 4.920 . 4.920 3.484 3.374 3.687 . 0 0 "[ . 1]" 1
948 1 58 ASN HB3 1 58 ASN QD 3.450 . 3.450 2.637 2.185 3.295 . 0 0 "[ . 1]" 1
949 1 58 ASN HB3 1 58 ASN HD22 4.040 . 4.040 3.727 3.514 4.082 0.042 4 0 "[ . 1]" 1
950 1 58 ASN HB3 1 59 PHE H 4.920 . 4.920 4.216 4.085 4.262 . 0 0 "[ . 1]" 1
951 1 59 PHE H 1 59 PHE HB2 3.680 . 3.680 2.415 2.257 2.524 . 0 0 "[ . 1]" 1
952 1 59 PHE H 1 59 PHE QB 3.000 . 3.000 2.382 2.233 2.484 . 0 0 "[ . 1]" 1
953 1 59 PHE H 1 59 PHE HB3 3.680 . 3.680 3.647 3.547 3.712 0.032 4 0 "[ . 1]" 1
954 1 59 PHE H 1 59 PHE QD 3.680 . 3.680 2.608 2.167 3.476 . 0 0 "[ . 1]" 1
955 1 59 PHE H 1 60 ALA MB 4.450 . 4.450 3.950 3.888 4.017 . 0 0 "[ . 1]" 1
956 1 59 PHE QB 1 60 ALA H 4.000 . 4.000 3.556 3.488 3.591 . 0 0 "[ . 1]" 1
957 1 59 PHE HB2 1 60 ALA H 4.790 . 4.790 3.783 3.732 3.849 . 0 0 "[ . 1]" 1
958 1 59 PHE HB3 1 60 ALA H 4.790 . 4.790 4.325 4.187 4.398 . 0 0 "[ . 1]" 1
959 1 60 ALA H 1 60 ALA MB 3.000 . 3.000 2.698 2.663 2.767 . 0 0 "[ . 1]" 1
960 1 60 ALA H 1 61 VAL H 4.770 . 4.770 4.328 4.189 4.426 . 0 0 "[ . 1]" 1
961 1 60 ALA HA 1 61 VAL H 2.850 . 2.850 2.262 2.155 2.358 . 0 0 "[ . 1]" 1
962 1 60 ALA HA 1 61 VAL MG1 4.350 . 4.350 3.786 3.723 3.870 . 0 0 "[ . 1]" 1
963 1 60 ALA MB 1 61 VAL H 3.000 . 3.000 2.795 2.467 3.143 0.143 9 0 "[ . 1]" 1
964 1 60 ALA MB 1 62 GLN H 5.500 . 5.500 4.997 4.655 5.208 . 0 0 "[ . 1]" 1
965 1 61 VAL H 1 61 VAL HB 3.670 . 3.670 2.964 2.743 3.101 . 0 0 "[ . 1]" 1
966 1 61 VAL H 1 61 VAL MG1 4.120 . 4.120 2.051 1.957 2.151 . 0 0 "[ . 1]" 1
967 1 61 VAL H 1 61 VAL MG2 4.120 . 4.120 3.882 3.819 3.934 . 0 0 "[ . 1]" 1
968 1 61 VAL H 1 62 GLN H 4.530 . 4.530 4.465 4.281 4.590 0.060 2 0 "[ . 1]" 1
969 1 61 VAL H 1 62 GLN HA 5.070 . 5.070 5.084 4.885 5.380 0.310 8 0 "[ . 1]" 1
970 1 61 VAL MG1 1 62 GLN H 4.140 . 4.140 3.921 3.746 4.110 . 0 0 "[ . 1]" 1
971 1 61 VAL MG2 1 62 GLN H 4.140 . 4.140 2.593 2.358 2.906 . 0 0 "[ . 1]" 1
972 1 61 VAL MG2 1 62 GLN HA 5.020 . 5.020 4.091 3.984 4.184 . 0 0 "[ . 1]" 1
973 1 61 VAL MG2 1 62 GLN QB 4.290 . 4.290 3.820 3.602 4.125 . 0 0 "[ . 1]" 1
974 1 61 VAL MG2 1 63 ILE H 5.500 . 5.500 4.739 4.568 4.891 . 0 0 "[ . 1]" 1
975 1 61 VAL MG2 1 63 ILE HA 5.380 . 5.380 4.090 3.918 4.326 . 0 0 "[ . 1]" 1
976 1 62 GLN H 1 62 GLN HB2 3.110 . 3.110 2.610 2.437 2.760 . 0 0 "[ . 1]" 1
977 1 62 GLN H 1 62 GLN QB 2.690 . 2.690 2.263 2.226 2.284 . 0 0 "[ . 1]" 1
978 1 62 GLN H 1 62 GLN HB3 3.110 . 3.110 2.509 2.349 2.673 . 0 0 "[ . 1]" 1
979 1 62 GLN H 1 62 GLN HG2 4.730 . 4.730 4.535 4.420 4.653 . 0 0 "[ . 1]" 1
980 1 62 GLN H 1 62 GLN HG3 4.730 . 4.730 4.493 4.370 4.670 . 0 0 "[ . 1]" 1
981 1 62 GLN H 1 63 ILE H 4.780 . 4.780 4.633 4.610 4.667 . 0 0 "[ . 1]" 1
982 1 62 GLN HA 1 62 GLN HG2 4.110 . 4.110 3.401 2.579 3.792 . 0 0 "[ . 1]" 1
983 1 62 GLN HA 1 62 GLN QG 3.610 . 3.610 2.549 2.328 3.054 . 0 0 "[ . 1]" 1
984 1 62 GLN HA 1 62 GLN HG3 4.110 . 4.110 2.710 2.370 3.390 . 0 0 "[ . 1]" 1
985 1 62 GLN HA 1 63 ILE H 2.620 . 2.620 2.208 2.194 2.232 . 0 0 "[ . 1]" 1
986 1 62 GLN QB 1 63 ILE H 3.950 . 3.950 3.696 3.576 3.746 . 0 0 "[ . 1]" 1
987 1 62 GLN HB2 1 63 ILE H 4.580 . 4.580 4.211 4.120 4.285 . 0 0 "[ . 1]" 1
988 1 62 GLN HB3 1 63 ILE H 4.580 . 4.580 4.099 3.865 4.213 . 0 0 "[ . 1]" 1
989 1 62 GLN QG 1 64 SER H 3.710 . 3.710 2.104 1.805 2.559 . 0 0 "[ . 1]" 1
990 1 62 GLN HG2 1 63 ILE H 3.880 . 3.880 3.538 2.380 4.370 0.490 9 0 "[ . 1]" 1
991 1 62 GLN HG2 1 64 SER H 4.390 . 4.390 2.704 1.815 3.630 . 0 0 "[ . 1]" 1
992 1 62 GLN HG3 1 63 ILE H 3.880 . 3.880 2.842 2.395 4.003 0.123 4 0 "[ . 1]" 1
993 1 62 GLN HG3 1 64 SER H 4.390 . 4.390 2.715 1.915 4.090 . 0 0 "[ . 1]" 1
994 1 63 ILE H 1 63 ILE HB 3.760 . 3.760 2.584 2.549 2.665 . 0 0 "[ . 1]" 1
995 1 63 ILE H 1 63 ILE MD 4.450 . 4.450 3.097 2.909 3.171 . 0 0 "[ . 1]" 1
996 1 63 ILE H 1 63 ILE HG12 4.020 . 4.020 2.112 2.028 2.153 . 0 0 "[ . 1]" 1
997 1 63 ILE H 1 63 ILE QG 3.310 . 3.310 2.098 2.017 2.138 . 0 0 "[ . 1]" 1
998 1 63 ILE H 1 63 ILE HG13 4.020 . 4.020 3.625 3.586 3.653 . 0 0 "[ . 1]" 1
999 1 63 ILE H 1 63 ILE MG 4.650 . 4.650 3.797 3.791 3.803 . 0 0 "[ . 1]" 1
1000 1 63 ILE HA 1 63 ILE MG 3.170 . 3.170 2.383 2.344 2.408 . 0 0 "[ . 1]" 1
1001 1 63 ILE HB 1 64 SER H 3.920 . 3.920 2.566 2.217 2.763 . 0 0 "[ . 1]" 1
1002 1 63 ILE MD 1 64 SER H 5.500 . 5.500 4.604 4.539 4.675 . 0 0 "[ . 1]" 1
1003 1 63 ILE QG 1 64 SER H 4.170 . 4.170 3.961 3.804 4.094 . 0 0 "[ . 1]" 1
1004 1 63 ILE MG 1 64 SER H 4.150 . 4.150 3.442 3.166 3.599 . 0 0 "[ . 1]" 1
1005 1 64 SER H 1 64 SER HB2 3.660 . 3.660 3.323 2.675 4.067 0.407 9 0 "[ . 1]" 1
1006 1 64 SER H 1 64 SER HB3 3.660 . 3.660 3.390 2.512 3.999 0.339 4 0 "[ . 1]" 1
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