NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
635168 |
6ggz   |
34268 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6ggz
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 912
_Distance_constraint_stats_list.Viol_count 384
_Distance_constraint_stats_list.Viol_total 409.847
_Distance_constraint_stats_list.Viol_max 0.968
_Distance_constraint_stats_list.Viol_rms 0.0379
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0045
_Distance_constraint_stats_list.Viol_average_violations_only 0.1067
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 PCA 0.038 0.034 10 0 "[ . 1]"
1 2 ILE 0.820 0.274 7 0 "[ . 1]"
1 3 GLU 0.356 0.082 6 0 "[ . 1]"
1 4 THR 1.708 0.504 5 1 "[ + 1]"
1 5 ASN 0.000 0.000 . 0 "[ . 1]"
1 6 LYS 2.569 0.392 7 0 "[ . 1]"
1 7 LYS 6.562 0.968 5 3 "[ + -* 1]"
1 8 CYS 1.782 0.383 5 0 "[ . 1]"
1 9 GLN 3.445 0.852 2 1 "[ + . 1]"
1 10 GLY 0.000 0.000 . 0 "[ . 1]"
1 11 GLY 0.705 0.383 5 0 "[ . 1]"
1 12 SER 8.371 0.852 2 4 "[ +* .* - 1]"
1 13 CYS 2.263 0.579 8 2 "[ .- + 1]"
1 14 ALA 0.612 0.096 1 0 "[ . 1]"
1 15 SER 0.014 0.012 6 0 "[ . 1]"
1 16 VAL 0.472 0.134 7 0 "[ . 1]"
1 17 CYS 2.347 0.676 6 2 "[ .+ - 1]"
1 18 ARG 0.441 0.107 9 0 "[ . 1]"
1 19 LYS 0.878 0.165 4 0 "[ . 1]"
1 20 VAL 0.214 0.143 6 0 "[ . 1]"
1 21 ILE 0.502 0.080 9 0 "[ . 1]"
1 22 GLY 0.038 0.015 9 0 "[ . 1]"
1 23 VAL 1.478 0.220 7 0 "[ . 1]"
1 24 ALA 1.945 0.220 7 0 "[ . 1]"
1 25 ALA 0.728 0.108 9 0 "[ . 1]"
1 26 GLY 2.019 0.671 3 1 "[ + . 1]"
1 27 LYS 3.109 0.589 8 3 "[ -* + 1]"
1 28 CYS 0.658 0.094 6 0 "[ . 1]"
1 29 ILE 2.359 0.487 1 0 "[ . 1]"
1 30 ASN 3.735 0.351 1 0 "[ . 1]"
1 31 GLY 1.478 0.178 7 0 "[ . 1]"
1 32 ARG 3.925 0.968 5 3 "[ + -* 1]"
1 33 CYS 7.482 0.676 6 3 "[ -+ * 1]"
1 34 VAL 6.526 0.829 3 4 "[ *+ .- * 1]"
1 35 CYS 0.272 0.058 8 0 "[ . 1]"
1 36 TYR 3.651 0.175 1 0 "[ . 1]"
1 37 PRO 1.508 0.274 7 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 1 PCA HA 1 1 PCA HB2 2.554 . 3.369 2.256 2.252 2.263 . 0 0 "[ . 1]" 1
2 1 1 PCA HA 1 1 PCA HB3 2.869 . 3.898 2.871 2.811 2.901 . 0 0 "[ . 1]" 1
3 1 1 PCA HA 1 1 PCA HG2 4.203 . 6.411 3.547 3.451 3.713 . 0 0 "[ . 1]" 1
4 1 1 PCA HA 1 1 PCA HG3 3.775 . 5.556 3.993 3.980 4.011 . 0 0 "[ . 1]" 1
5 1 1 PCA HA 1 2 ILE H 2.351 . 3.042 2.328 2.175 2.529 . 0 0 "[ . 1]" 1
6 1 1 PCA HA 1 2 ILE MD 3.858 . 5.718 4.381 3.916 4.610 . 0 0 "[ . 1]" 1
7 1 1 PCA HA 1 2 ILE HG13 3.776 . 5.558 3.764 3.262 5.335 . 0 0 "[ . 1]" 1
8 1 1 PCA HA 1 34 VAL QG 2.914 . 3.976 3.671 3.101 3.948 . 0 0 "[ . 1]" 1
9 1 1 PCA HA 1 36 TYR HA 2.940 . 4.021 3.036 2.803 3.395 . 0 0 "[ . 1]" 1
10 1 1 PCA HA 1 36 TYR HB3 4.060 . 6.120 5.089 4.819 5.314 . 0 0 "[ . 1]" 1
11 1 1 PCA HA 1 36 TYR QD 3.175 . 4.435 4.104 2.917 4.438 0.003 6 0 "[ . 1]" 1
12 1 1 PCA HA 1 36 TYR QE 3.520 . 5.069 4.734 4.386 5.103 0.034 10 0 "[ . 1]" 1
13 1 1 PCA HA 1 37 PRO HD3 3.429 . 4.898 3.367 2.955 4.174 . 0 0 "[ . 1]" 1
14 1 1 PCA HB2 1 1 PCA HB3 2.052 . 2.578 1.768 1.768 1.769 . 0 0 "[ . 1]" 1
15 1 1 PCA HB2 1 1 PCA HG2 3.539 . 5.105 2.279 2.276 2.282 . 0 0 "[ . 1]" 1
16 1 1 PCA HB2 1 2 ILE H 3.423 . 4.888 3.289 2.934 3.877 . 0 0 "[ . 1]" 1
17 1 1 PCA HB2 1 34 VAL QG 2.941 . 4.022 2.551 2.406 2.678 . 0 0 "[ . 1]" 1
18 1 1 PCA HB2 1 36 TYR HA 4.394 . 6.808 3.564 2.837 4.669 . 0 0 "[ . 1]" 1
19 1 1 PCA HB2 1 36 TYR QD 3.354 . 4.760 3.304 2.208 3.948 . 0 0 "[ . 1]" 1
20 1 1 PCA HB2 1 36 TYR QE 3.011 . 4.144 3.107 2.422 3.352 . 0 0 "[ . 1]" 1
21 1 1 PCA HB3 1 1 PCA HG2 2.838 . 3.844 2.897 2.862 2.927 . 0 0 "[ . 1]" 1
22 1 1 PCA HB3 1 1 PCA HG3 3.149 . 4.389 2.278 2.276 2.283 . 0 0 "[ . 1]" 1
23 1 1 PCA HB3 1 2 ILE H 3.338 . 4.731 3.144 2.706 3.654 . 0 0 "[ . 1]" 1
24 1 1 PCA HB3 1 2 ILE HA 4.095 . 6.191 4.393 4.196 4.614 . 0 0 "[ . 1]" 1
25 1 1 PCA HB3 1 34 VAL QG 2.756 . 3.706 2.142 1.862 2.298 . 0 0 "[ . 1]" 1
26 1 1 PCA HG2 1 34 VAL QG 3.611 . 5.240 3.869 3.568 4.072 . 0 0 "[ . 1]" 1
27 1 1 PCA HG2 1 36 TYR QD 3.591 . 5.203 3.858 2.876 5.124 . 0 0 "[ . 1]" 1
28 1 1 PCA HG2 1 36 TYR QE 3.200 . 4.480 2.871 2.208 3.855 . 0 0 "[ . 1]" 1
29 1 1 PCA HG3 1 34 VAL QG 3.791 . 5.587 3.547 2.958 3.918 . 0 0 "[ . 1]" 1
30 1 1 PCA HG3 1 36 TYR QD 4.460 . 6.947 5.268 4.435 6.371 . 0 0 "[ . 1]" 1
31 1 1 PCA HG3 1 36 TYR QE 3.620 . 5.258 4.142 3.314 5.235 . 0 0 "[ . 1]" 1
32 1 2 ILE H 1 2 ILE MD 2.929 . 4.001 3.180 2.960 3.279 . 0 0 "[ . 1]" 1
33 1 2 ILE H 1 2 ILE HB 2.487 . 3.260 2.497 2.421 2.567 . 0 0 "[ . 1]" 1
34 1 2 ILE H 1 2 ILE HG12 3.026 . 4.171 3.523 2.390 3.885 . 0 0 "[ . 1]" 1
35 1 2 ILE H 1 2 ILE HG13 2.750 . 3.695 2.658 2.293 3.311 . 0 0 "[ . 1]" 1
36 1 2 ILE H 1 36 TYR HB3 3.845 . 5.693 5.093 4.943 5.209 . 0 0 "[ . 1]" 1
37 1 2 ILE H 1 21 ILE MG 4.122 . 6.246 4.987 4.468 5.552 . 0 0 "[ . 1]" 1
38 1 2 ILE H 1 34 VAL HB 3.290 . 4.643 4.117 4.031 4.179 . 0 0 "[ . 1]" 1
39 1 2 ILE H 1 34 VAL QG 2.437 . 3.179 2.569 2.469 2.692 . 0 0 "[ . 1]" 1
40 1 2 ILE H 1 36 TYR H 3.803 . 5.610 4.202 4.181 4.237 . 0 0 "[ . 1]" 1
41 1 2 ILE H 1 36 TYR QD 4.012 . 6.024 4.245 3.800 4.409 . 0 0 "[ . 1]" 1
42 1 2 ILE H 1 36 TYR QE 4.618 . 7.284 4.771 4.643 4.853 . 0 0 "[ . 1]" 1
43 1 2 ILE H 1 36 TYR HA 3.499 . 5.029 3.648 3.492 3.740 . 0 0 "[ . 1]" 1
44 1 2 ILE H 1 37 PRO HD2 3.801 . 5.607 4.042 3.077 4.639 . 0 0 "[ . 1]" 1
45 1 2 ILE H 1 37 PRO HD3 3.444 . 4.926 3.323 2.874 3.668 . 0 0 "[ . 1]" 1
46 1 2 ILE HA 1 2 ILE HB 2.652 . 3.531 3.020 3.019 3.023 . 0 0 "[ . 1]" 1
47 1 2 ILE HA 1 2 ILE HG12 2.796 . 3.773 2.709 2.519 3.195 . 0 0 "[ . 1]" 1
48 1 2 ILE HA 1 2 ILE HG13 2.732 . 3.665 3.226 3.027 3.760 0.095 1 0 "[ . 1]" 1
49 1 2 ILE HA 1 2 ILE MG 2.202 . 2.808 2.345 2.315 2.393 . 0 0 "[ . 1]" 1
50 1 2 ILE HA 1 3 GLU H 1.937 . 2.406 2.233 2.194 2.260 . 0 0 "[ . 1]" 1
51 1 2 ILE HA 1 3 GLU HG2 4.115 . 6.231 5.760 5.444 6.110 . 0 0 "[ . 1]" 1
52 1 2 ILE HA 1 3 GLU HG3 4.191 . 6.387 4.480 3.989 5.139 . 0 0 "[ . 1]" 1
53 1 2 ILE HA 1 35 CYS H 3.547 . 5.119 4.336 4.237 4.421 . 0 0 "[ . 1]" 1
54 1 2 ILE HA 1 34 VAL QG 3.985 . 5.970 4.042 3.924 4.217 . 0 0 "[ . 1]" 1
55 1 2 ILE HB 1 2 ILE HG13 2.641 . 3.513 2.478 2.455 2.492 . 0 0 "[ . 1]" 1
56 1 2 ILE HB 1 3 GLU H 3.388 . 4.823 4.420 4.398 4.462 . 0 0 "[ . 1]" 1
57 1 2 ILE HB 1 21 ILE MG 3.521 . 5.070 3.967 3.458 4.641 . 0 0 "[ . 1]" 1
58 1 2 ILE HB 1 35 CYS HA 4.291 . 6.593 4.801 4.629 5.087 . 0 0 "[ . 1]" 1
59 1 2 ILE HB 1 35 CYS HB2 2.582 . 3.415 2.120 1.939 2.393 . 0 0 "[ . 1]" 1
60 1 2 ILE HB 1 36 TYR H 4.048 . 6.097 5.600 5.358 5.959 . 0 0 "[ . 1]" 1
61 1 2 ILE HB 1 37 PRO HD3 4.061 . 6.122 3.967 3.448 4.283 . 0 0 "[ . 1]" 1
62 1 2 ILE MD 1 2 ILE HG12 2.380 . 3.088 2.118 2.116 2.120 . 0 0 "[ . 1]" 1
63 1 2 ILE MD 1 2 ILE HG13 2.266 . 2.908 1.872 1.807 1.916 . 0 0 "[ . 1]" 1
64 1 2 ILE MD 1 35 CYS HB2 3.648 . 5.311 3.044 2.792 3.696 . 0 0 "[ . 1]" 1
65 1 2 ILE MD 1 36 TYR HA 4.181 . 6.366 5.012 4.665 5.608 . 0 0 "[ . 1]" 1
66 1 2 ILE MD 1 36 TYR QD 4.192 . 6.389 5.153 4.851 5.521 . 0 0 "[ . 1]" 1
67 1 2 ILE MD 1 37 PRO HD2 3.569 . 5.161 4.356 4.044 4.922 . 0 0 "[ . 1]" 1
68 1 2 ILE MD 1 37 PRO HG3 3.080 . 4.266 2.760 2.329 4.274 0.008 10 0 "[ . 1]" 1
69 1 2 ILE HG12 1 3 GLU H 3.895 . 5.792 4.901 4.733 5.186 . 0 0 "[ . 1]" 1
70 1 2 ILE HG12 1 35 CYS HB2 5.096 . 8.343 4.743 3.721 5.128 . 0 0 "[ . 1]" 1
71 1 2 ILE HG12 1 37 PRO HD2 3.832 . 5.667 5.036 2.780 5.941 0.274 7 0 "[ . 1]" 1
72 1 2 ILE HG12 1 37 PRO HD3 3.441 . 4.921 4.381 2.708 4.911 . 0 0 "[ . 1]" 1
73 1 2 ILE HG12 1 37 PRO HG2 4.907 . 7.917 4.796 3.222 5.598 . 0 0 "[ . 1]" 1
74 1 2 ILE HG12 1 37 PRO HG3 3.628 . 5.273 4.113 2.490 4.979 . 0 0 "[ . 1]" 1
75 1 2 ILE HG13 1 3 GLU H 3.419 . 4.880 4.303 4.203 4.389 . 0 0 "[ . 1]" 1
76 1 2 ILE HG13 1 37 PRO HG2 4.126 . 6.254 3.850 3.050 4.641 . 0 0 "[ . 1]" 1
77 1 2 ILE HG13 1 35 CYS HB2 3.285 . 4.634 3.333 3.043 3.566 . 0 0 "[ . 1]" 1
78 1 2 ILE HG13 1 35 CYS HB3 5.643 . 9.624 4.349 4.000 4.565 . 0 0 "[ . 1]" 1
79 1 2 ILE HG13 1 37 PRO HD2 3.991 . 5.982 4.021 3.436 5.281 . 0 0 "[ . 1]" 1
80 1 2 ILE HG13 1 37 PRO HD3 3.463 . 4.962 3.182 2.784 4.448 . 0 0 "[ . 1]" 1
81 1 2 ILE HG13 1 37 PRO HG3 3.787 . 5.580 3.178 2.599 3.794 . 0 0 "[ . 1]" 1
82 1 2 ILE MG 1 3 GLU H 2.564 . 3.386 3.409 3.297 3.468 0.082 6 0 "[ . 1]" 1
83 1 2 ILE MG 1 3 GLU HA 3.774 . 5.554 4.168 4.093 4.229 . 0 0 "[ . 1]" 1
84 1 2 ILE MG 1 4 THR H 3.646 . 5.308 3.804 3.358 4.489 . 0 0 "[ . 1]" 1
85 1 2 ILE MG 1 4 THR HA 3.644 . 5.303 3.699 3.260 4.192 . 0 0 "[ . 1]" 1
86 1 2 ILE MG 1 34 VAL HA 3.854 . 5.710 4.601 4.480 4.722 . 0 0 "[ . 1]" 1
87 1 3 GLU H 1 3 GLU HB2 2.314 . 2.983 2.437 2.357 2.548 . 0 0 "[ . 1]" 1
88 1 3 GLU H 1 3 GLU HG2 2.978 . 4.087 3.710 3.546 3.922 . 0 0 "[ . 1]" 1
89 1 3 GLU H 1 3 GLU HG3 2.763 . 3.717 2.544 2.209 3.181 . 0 0 "[ . 1]" 1
90 1 3 GLU H 1 4 THR H 3.779 . 5.564 4.304 4.112 4.554 . 0 0 "[ . 1]" 1
91 1 3 GLU H 1 34 VAL HA 4.058 . 6.116 4.090 3.873 4.247 . 0 0 "[ . 1]" 1
92 1 3 GLU H 1 34 VAL QG 3.816 . 5.131 3.229 3.134 3.332 . 0 0 "[ . 1]" 1
93 1 3 GLU HA 1 3 GLU HB2 2.914 . 3.975 2.606 2.426 2.705 . 0 0 "[ . 1]" 1
94 1 3 GLU HA 1 3 GLU HB3 2.602 . 3.448 2.494 2.436 2.536 . 0 0 "[ . 1]" 1
95 1 3 GLU HA 1 3 GLU HG2 2.927 . 3.998 2.806 2.502 3.658 . 0 0 "[ . 1]" 1
96 1 3 GLU HA 1 3 GLU HG3 3.101 . 4.303 2.853 2.428 3.065 . 0 0 "[ . 1]" 1
97 1 3 GLU HA 1 4 THR H 2.061 . 2.592 2.174 2.118 2.241 . 0 0 "[ . 1]" 1
98 1 3 GLU HA 1 4 THR MG 3.160 . 4.408 3.862 3.676 4.100 . 0 0 "[ . 1]" 1
99 1 3 GLU HA 1 34 VAL HA 2.556 . 3.372 1.948 1.868 2.006 . 0 0 "[ . 1]" 1
100 1 3 GLU HA 1 34 VAL QG 2.784 . 3.753 2.853 2.663 3.085 . 0 0 "[ . 1]" 1
101 1 3 GLU HA 1 35 CYS H 3.454 . 4.945 3.461 3.297 3.610 . 0 0 "[ . 1]" 1
102 1 3 GLU HB2 1 4 THR H 3.392 . 4.830 3.953 3.752 4.133 . 0 0 "[ . 1]" 1
103 1 3 GLU HB3 1 3 GLU HG2 2.446 . 3.194 2.372 2.279 2.443 . 0 0 "[ . 1]" 1
104 1 3 GLU HB3 1 3 GLU HG2 1.752 . 2.136 2.050 1.975 2.122 . 0 0 "[ . 1]" 1
105 1 3 GLU HB3 1 4 THR H 3.056 . 4.223 3.704 3.187 3.988 . 0 0 "[ . 1]" 1
106 1 3 GLU HB3 1 4 THR MG 3.758 . 5.524 4.198 3.433 4.567 . 0 0 "[ . 1]" 1
107 1 3 GLU HB3 1 34 VAL HA 4.382 . 6.782 3.867 3.796 3.955 . 0 0 "[ . 1]" 1
108 1 3 GLU HG2 1 4 THR H 3.787 . 5.579 4.779 4.344 5.583 0.004 9 0 "[ . 1]" 1
109 1 3 GLU HG2 1 34 VAL QG 3.295 . 4.652 2.833 2.403 3.538 . 0 0 "[ . 1]" 1
110 1 3 GLU HG3 1 4 THR H 3.857 . 5.717 4.943 4.459 5.167 . 0 0 "[ . 1]" 1
111 1 3 GLU HG3 1 34 VAL QG 3.259 . 4.587 2.434 2.103 2.906 . 0 0 "[ . 1]" 1
112 1 4 THR H 1 4 THR HB 3.674 . 5.361 3.678 3.618 3.802 . 0 0 "[ . 1]" 1
113 1 4 THR H 1 4 THR MG 2.367 . 3.067 2.529 2.260 2.947 . 0 0 "[ . 1]" 1
114 1 4 THR H 1 5 ASN QB 4.371 . 6.759 5.423 5.222 5.729 . 0 0 "[ . 1]" 1
115 1 4 THR H 1 6 LYS H 3.970 . 5.940 4.366 4.240 4.536 . 0 0 "[ . 1]" 1
116 1 4 THR H 1 27 LYS H 4.381 . 6.780 6.696 6.540 6.837 0.057 6 0 "[ . 1]" 1
117 1 4 THR H 1 33 CYS H 3.824 . 5.652 3.620 3.310 3.874 . 0 0 "[ . 1]" 1
118 1 4 THR H 1 33 CYS HB2 4.350 . 6.715 4.330 3.547 5.248 . 0 0 "[ . 1]" 1
119 1 4 THR H 1 34 VAL H 4.773 . 7.620 4.622 4.529 4.737 . 0 0 "[ . 1]" 1
120 1 4 THR H 1 34 VAL HA 2.885 . 3.925 2.827 2.614 3.055 . 0 0 "[ . 1]" 1
121 1 4 THR H 1 34 VAL QG 3.503 . 5.037 4.249 4.107 4.413 . 0 0 "[ . 1]" 1
122 1 4 THR H 1 35 CYS H 3.987 . 5.974 3.702 3.197 4.286 . 0 0 "[ . 1]" 1
123 1 4 THR HA 1 4 THR HB 2.693 . 3.599 2.474 2.450 2.496 . 0 0 "[ . 1]" 1
124 1 4 THR HA 1 4 THR MG 2.644 . 3.518 2.359 2.326 2.391 . 0 0 "[ . 1]" 1
125 1 4 THR HB 1 4 THR MG 2.414 . 3.143 2.134 2.132 2.136 . 0 0 "[ . 1]" 1
126 1 4 THR HB 1 5 ASN QB 3.852 . 5.707 3.730 2.586 4.342 . 0 0 "[ . 1]" 1
127 1 4 THR HB 1 6 LYS H 2.645 . 3.519 3.114 2.445 3.534 0.015 5 0 "[ . 1]" 1
128 1 4 THR HB 1 6 LYS QB 3.425 . 4.891 3.622 3.436 3.937 . 0 0 "[ . 1]" 1
129 1 4 THR HB 1 6 LYS QD 4.210 . 6.426 3.855 3.135 4.714 . 0 0 "[ . 1]" 1
130 1 4 THR HB 1 6 LYS QG 2.871 . 3.901 2.636 2.282 3.383 . 0 0 "[ . 1]" 1
131 1 4 THR HB 1 16 VAL MG1 3.501 . 5.033 4.744 4.380 5.059 0.026 10 0 "[ . 1]" 1
132 1 4 THR HB 1 20 VAL MG1 3.769 . 5.545 3.952 3.521 4.306 . 0 0 "[ . 1]" 1
133 1 4 THR HB 1 20 VAL MG2 3.606 . 5.231 4.684 3.737 5.178 . 0 0 "[ . 1]" 1
134 1 4 THR HB 1 33 CYS HB3 4.931 . 7.970 4.325 4.072 4.860 . 0 0 "[ . 1]" 1
135 1 4 THR HB 1 33 CYS HB2 4.303 . 6.617 4.803 4.163 5.939 . 0 0 "[ . 1]" 1
136 1 4 THR HG1 1 4 THR MG 4.263 . 6.534 2.279 2.067 2.656 . 0 0 "[ . 1]" 1
137 1 4 THR MG 1 6 LYS H 3.318 . 4.694 4.410 4.031 4.736 0.042 7 0 "[ . 1]" 1
138 1 4 THR MG 1 6 LYS QB 3.945 . 5.890 4.288 4.083 4.590 . 0 0 "[ . 1]" 1
139 1 4 THR MG 1 17 CYS HA 4.898 . 7.897 5.031 4.242 5.450 . 0 0 "[ . 1]" 1
140 1 4 THR MG 1 33 CYS HB2 3.556 . 5.137 4.627 3.909 5.641 0.504 5 1 "[ + 1]" 1
141 1 4 THR MG 1 33 CYS HB3 4.096 . 6.193 4.567 4.187 5.160 . 0 0 "[ . 1]" 1
142 1 4 THR MG 1 34 VAL H 4.686 . 7.431 5.774 5.562 5.929 . 0 0 "[ . 1]" 1
143 1 4 THR MG 1 34 VAL HA 2.950 . 4.037 4.018 3.847 4.085 0.048 2 0 "[ . 1]" 1
144 1 5 ASN HA 1 6 LYS H 3.165 . 4.417 2.858 2.597 3.277 . 0 0 "[ . 1]" 1
145 1 5 ASN HA 1 32 ARG QB 3.783 . 5.572 3.571 3.076 3.879 . 0 0 "[ . 1]" 1
146 1 5 ASN QB 1 5 ASN QD 2.384 . 3.094 2.152 2.107 2.217 . 0 0 "[ . 1]" 1
147 1 5 ASN QB 1 6 LYS H 3.400 . 4.845 3.837 3.336 4.027 . 0 0 "[ . 1]" 1
148 1 5 ASN QD 1 6 LYS H 4.281 . 6.572 4.579 4.224 4.923 . 0 0 "[ . 1]" 1
149 1 5 ASN QD 1 32 ARG HE 4.236 . 6.479 4.951 3.227 6.224 . 0 0 "[ . 1]" 1
150 1 6 LYS H 1 6 LYS HA 2.535 . 3.339 2.729 2.670 2.771 . 0 0 "[ . 1]" 1
151 1 6 LYS H 1 6 LYS QB 2.359 . 3.055 2.444 2.270 2.578 . 0 0 "[ . 1]" 1
152 1 6 LYS H 1 6 LYS QD 3.909 . 5.819 4.037 3.536 4.583 . 0 0 "[ . 1]" 1
153 1 6 LYS H 1 6 LYS QG 2.650 . 3.528 2.672 2.295 3.106 . 0 0 "[ . 1]" 1
154 1 6 LYS H 1 16 VAL MG1 3.454 . 4.946 4.352 4.164 4.509 . 0 0 "[ . 1]" 1
155 1 6 LYS H 1 16 VAL MG2 4.106 . 6.214 5.631 5.123 6.105 . 0 0 "[ . 1]" 1
156 1 6 LYS H 1 32 ARG HA 3.900 . 5.801 4.180 3.575 5.149 . 0 0 "[ . 1]" 1
157 1 6 LYS H 1 33 CYS H 3.164 . 4.415 3.066 2.551 3.820 . 0 0 "[ . 1]" 1
158 1 6 LYS H 1 33 CYS HB2 3.664 . 5.342 3.718 3.195 4.762 . 0 0 "[ . 1]" 1
159 1 6 LYS HA 1 6 LYS QB 2.557 . 3.374 2.388 2.359 2.456 . 0 0 "[ . 1]" 1
160 1 6 LYS HA 1 6 LYS QD 2.989 . 4.106 3.425 2.018 4.162 0.056 6 0 "[ . 1]" 1
161 1 6 LYS HA 1 6 LYS QG 2.990 . 4.107 2.553 2.301 2.938 . 0 0 "[ . 1]" 1
162 1 6 LYS HA 1 7 LYS H 1.934 . 2.401 2.300 2.194 2.425 0.024 2 0 "[ . 1]" 1
163 1 6 LYS QB 1 6 LYS HE3 2.670 . 3.561 3.030 1.997 3.884 0.323 1 0 "[ . 1]" 1
164 1 6 LYS QB 1 9 GLN HE21 4.347 . 6.709 6.437 4.742 7.101 0.392 7 0 "[ . 1]" 1
165 1 6 LYS QB 1 16 VAL MG1 2.658 . 3.541 2.615 2.153 3.178 . 0 0 "[ . 1]" 1
166 1 6 LYS QB 1 16 VAL MG2 3.060 . 4.231 3.738 3.333 4.210 . 0 0 "[ . 1]" 1
167 1 6 LYS QB 1 33 CYS HB2 2.916 . 3.979 2.534 1.948 3.250 . 0 0 "[ . 1]" 1
168 1 6 LYS QB 1 33 CYS HB3 3.073 . 4.254 3.260 2.414 3.994 . 0 0 "[ . 1]" 1
169 1 6 LYS HB3 1 6 LYS HD3 1.759 . 2.146 2.121 2.027 2.302 0.156 3 0 "[ . 1]" 1
170 1 6 LYS QD 1 6 LYS QG 2.067 . 2.601 2.075 2.011 2.092 . 0 0 "[ . 1]" 1
171 1 6 LYS QD 1 16 VAL MG1 3.787 . 5.580 2.601 2.218 3.513 . 0 0 "[ . 1]" 1
172 1 6 LYS HE2 1 6 LYS QG 3.211 . 4.500 2.617 2.341 3.463 . 0 0 "[ . 1]" 1
173 1 6 LYS HE2 1 20 VAL HA 4.270 . 6.549 5.721 4.824 6.452 . 0 0 "[ . 1]" 1
174 1 6 LYS HE2 1 16 VAL MG1 4.546 . 7.129 4.016 2.264 5.120 . 0 0 "[ . 1]" 1
175 1 6 LYS HE2 1 20 VAL MG1 4.272 . 6.553 4.443 3.237 5.445 . 0 0 "[ . 1]" 1
176 1 6 LYS HE2 1 20 VAL MG2 3.455 . 4.947 3.409 2.024 4.345 . 0 0 "[ . 1]" 1
177 1 6 LYS HE3 1 20 VAL MG1 4.050 . 6.100 4.352 3.229 6.243 0.143 6 0 "[ . 1]" 1
178 1 6 LYS HE3 1 20 VAL MG2 3.460 . 4.956 3.113 1.927 4.621 0.037 9 0 "[ . 1]" 1
179 1 6 LYS QG 1 7 LYS H 3.363 . 4.777 4.033 3.560 4.492 . 0 0 "[ . 1]" 1
180 1 6 LYS QG 1 20 VAL MG2 3.558 . 5.141 3.732 2.433 4.356 . 0 0 "[ . 1]" 1
181 1 7 LYS H 1 7 LYS HA 2.493 . 3.270 2.892 2.855 2.918 . 0 0 "[ . 1]" 1
182 1 7 LYS H 1 7 LYS HB2 2.610 . 3.461 2.803 2.244 3.643 0.182 2 0 "[ . 1]" 1
183 1 7 LYS H 1 7 LYS QD 2.402 . 3.123 2.882 1.672 3.262 0.139 7 0 "[ . 1]" 1
184 1 7 LYS H 1 7 LYS QE 5.373 . 8.981 4.404 3.769 4.767 . 0 0 "[ . 1]" 1
185 1 7 LYS H 1 7 LYS QG 2.796 . 3.773 2.518 1.812 3.769 0.007 2 0 "[ . 1]" 1
186 1 7 LYS H 1 8 CYS H 3.467 . 4.970 4.083 4.061 4.108 . 0 0 "[ . 1]" 1
187 1 7 LYS H 1 16 VAL MG1 3.722 . 5.454 4.318 3.948 4.621 . 0 0 "[ . 1]" 1
188 1 7 LYS H 1 16 VAL MG2 3.741 . 5.491 4.853 4.292 5.377 . 0 0 "[ . 1]" 1
189 1 7 LYS HA 1 7 LYS HB2 2.707 . 3.623 2.857 2.399 3.032 . 0 0 "[ . 1]" 1
190 1 7 LYS HA 1 7 LYS HB3 2.729 . 3.660 2.461 2.357 2.667 . 0 0 "[ . 1]" 1
191 1 7 LYS HA 1 7 LYS QD 3.094 . 4.290 3.078 1.982 4.242 . 0 0 "[ . 1]" 1
192 1 7 LYS HA 1 7 LYS QG 3.038 . 4.192 2.947 2.390 3.462 . 0 0 "[ . 1]" 1
193 1 7 LYS HA 1 8 CYS H 2.279 . 2.928 2.217 2.164 2.257 . 0 0 "[ . 1]" 1
194 1 7 LYS HA 1 8 CYS HB3 3.683 . 5.379 3.795 3.379 4.159 . 0 0 "[ . 1]" 1
195 1 7 LYS HA 1 32 ARG HA 2.549 . 3.361 3.288 3.065 3.464 0.103 7 0 "[ . 1]" 1
196 1 7 LYS HA 1 32 ARG HD2 3.440 . 4.920 5.065 4.480 5.888 0.968 5 3 "[ + -* 1]" 1
197 1 7 LYS HB2 1 7 LYS QD 2.509 . 3.296 2.768 2.171 3.469 0.173 9 0 "[ . 1]" 1
198 1 7 LYS HB2 1 7 LYS QE 4.366 . 6.749 3.784 2.541 4.507 . 0 0 "[ . 1]" 1
199 1 7 LYS HB2 1 7 LYS QG 3.437 . 4.913 2.308 2.150 2.459 . 0 0 "[ . 1]" 1
200 1 7 LYS HB2 1 8 CYS H 2.907 . 3.963 3.615 2.793 4.235 0.272 4 0 "[ . 1]" 1
201 1 7 LYS HB2 1 32 ARG HA 4.277 . 6.564 6.068 5.551 6.401 . 0 0 "[ . 1]" 1
202 1 7 LYS HB3 1 7 LYS QG 1.915 . 2.373 2.020 1.922 2.117 . 0 0 "[ . 1]" 1
203 1 7 LYS HB3 1 8 CYS H 3.194 . 4.469 3.222 2.791 4.005 . 0 0 "[ . 1]" 1
204 1 7 LYS HB3 1 31 GLY HA2 4.021 . 6.042 4.784 4.530 5.025 . 0 0 "[ . 1]" 1
205 1 7 LYS QD 1 7 LYS QG 1.905 . 2.359 2.057 2.005 2.092 . 0 0 "[ . 1]" 1
206 1 7 LYS QD 1 8 CYS H 3.904 . 5.809 4.383 3.692 5.689 . 0 0 "[ . 1]" 1
207 1 7 LYS QG 1 8 CYS H 3.862 . 5.726 4.182 3.518 4.573 . 0 0 "[ . 1]" 1
208 1 8 CYS H 1 8 CYS HB2 3.380 . 4.808 2.884 2.547 3.631 . 0 0 "[ . 1]" 1
209 1 8 CYS H 1 8 CYS HB3 3.027 . 4.172 3.403 2.761 3.578 . 0 0 "[ . 1]" 1
210 1 8 CYS H 1 31 GLY HA2 4.127 . 6.256 3.679 2.904 4.060 . 0 0 "[ . 1]" 1
211 1 8 CYS H 1 31 GLY HA3 3.820 . 5.644 4.749 4.102 5.119 . 0 0 "[ . 1]" 1
212 1 8 CYS H 1 32 ARG HA 3.027 . 4.172 4.189 4.148 4.244 0.072 4 0 "[ . 1]" 1
213 1 8 CYS HA 1 8 CYS HB3 2.747 . 3.690 2.369 2.296 2.451 . 0 0 "[ . 1]" 1
214 1 8 CYS HA 1 9 GLN H 2.399 . 3.118 2.338 2.190 2.461 . 0 0 "[ . 1]" 1
215 1 8 CYS HA 1 9 GLN QG 3.961 . 5.922 5.441 3.512 5.865 . 0 0 "[ . 1]" 1
216 1 8 CYS HA 1 13 CYS HA 4.282 . 6.574 3.711 3.221 4.180 . 0 0 "[ . 1]" 1
217 1 8 CYS HA 1 16 VAL MG2 3.565 . 5.154 3.654 3.066 4.096 . 0 0 "[ . 1]" 1
218 1 8 CYS HB2 1 9 GLN H 2.720 . 3.645 3.334 2.265 3.731 0.086 7 0 "[ . 1]" 1
219 1 8 CYS HB2 1 11 GLY H 3.483 . 5.000 3.896 2.754 5.034 0.034 1 0 "[ . 1]" 1
220 1 8 CYS HB2 1 11 GLY HA2 5.510 . 9.304 4.528 3.975 5.420 . 0 0 "[ . 1]" 1
221 1 8 CYS HB2 1 11 GLY HA3 3.772 . 5.550 4.169 3.746 5.092 . 0 0 "[ . 1]" 1
222 1 8 CYS HB2 1 12 SER H 3.614 . 5.246 4.656 3.680 5.275 0.029 7 0 "[ . 1]" 1
223 1 8 CYS HB2 1 32 ARG HA 4.098 . 6.197 5.411 4.436 5.770 . 0 0 "[ . 1]" 1
224 1 8 CYS HB3 1 9 GLN H 2.764 . 3.719 2.863 2.392 3.672 . 0 0 "[ . 1]" 1
225 1 8 CYS HB3 1 10 GLY HA2 4.086 . 6.173 5.087 4.683 5.562 . 0 0 "[ . 1]" 1
226 1 8 CYS HB3 1 10 GLY HA3 6.002 . 10.505 6.240 5.692 7.432 . 0 0 "[ . 1]" 1
227 1 8 CYS HB3 1 10 GLY HA3 4.973 . 8.065 5.834 5.479 6.809 . 0 0 "[ . 1]" 1
228 1 8 CYS HB3 1 11 GLY H 3.202 . 4.484 4.030 3.225 4.867 0.383 5 0 "[ . 1]" 1
229 1 8 CYS HB3 1 11 GLY HA2 4.268 . 6.545 3.535 2.941 3.991 . 0 0 "[ . 1]" 1
230 1 8 CYS HB3 1 11 GLY HA2 3.766 . 5.539 3.628 2.954 4.115 . 0 0 "[ . 1]" 1
231 1 8 CYS HB3 1 11 GLY HA3 3.809 . 5.623 4.419 4.049 4.721 . 0 0 "[ . 1]" 1
232 1 8 CYS HB3 1 12 SER H 3.892 . 5.786 4.075 3.281 5.276 . 0 0 "[ . 1]" 1
233 1 8 CYS HB3 1 12 SER HB2 4.575 . 7.191 5.038 4.427 5.529 . 0 0 "[ . 1]" 1
234 1 8 CYS HB3 1 13 CYS H 3.523 . 5.074 5.054 4.698 5.414 0.340 5 0 "[ . 1]" 1
235 1 8 CYS HB3 1 14 ALA H 4.214 . 6.434 5.373 5.150 5.594 . 0 0 "[ . 1]" 1
236 1 8 CYS HB3 1 16 VAL MG2 4.794 . 7.667 5.128 4.801 5.399 . 0 0 "[ . 1]" 1
237 1 8 CYS HB3 1 31 GLY HA3 5.465 . 9.199 6.090 5.864 6.343 . 0 0 "[ . 1]" 1
238 1 9 GLN H 1 9 GLN HA 2.642 . 3.515 2.932 2.907 2.952 . 0 0 "[ . 1]" 1
239 1 9 GLN H 1 9 GLN HB2 2.296 . 2.955 2.662 2.252 3.069 0.114 3 0 "[ . 1]" 1
240 1 9 GLN H 1 9 GLN HB3 2.954 . 4.045 2.858 2.579 3.738 . 0 0 "[ . 1]" 1
241 1 9 GLN H 1 9 GLN QG 2.995 . 4.116 3.936 3.048 4.134 0.018 2 0 "[ . 1]" 1
242 1 9 GLN H 1 10 GLY HA2 3.811 . 5.626 4.276 4.198 4.345 . 0 0 "[ . 1]" 1
243 1 9 GLN H 1 12 SER H 3.361 . 4.773 3.620 2.815 4.288 . 0 0 "[ . 1]" 1
244 1 9 GLN H 1 12 SER HB2 3.643 . 5.302 5.356 4.944 6.154 0.852 2 1 "[ + . 1]" 1
245 1 9 GLN H 1 13 CYS HB2 3.423 . 4.888 4.298 3.451 4.881 . 0 0 "[ . 1]" 1
246 1 9 GLN H 1 16 VAL MG2 3.563 . 5.150 3.619 2.900 4.355 . 0 0 "[ . 1]" 1
247 1 9 GLN HA 1 9 GLN HB3 2.569 . 3.394 2.931 2.526 3.023 . 0 0 "[ . 1]" 1
248 1 9 GLN HA 1 9 GLN QG 2.960 . 4.055 2.579 2.287 2.899 . 0 0 "[ . 1]" 1
249 1 9 GLN HA 1 10 GLY H 3.159 . 4.406 2.520 2.158 2.950 . 0 0 "[ . 1]" 1
250 1 9 GLN HA 1 10 GLY HA2 4.063 . 6.126 4.521 4.383 4.797 . 0 0 "[ . 1]" 1
251 1 9 GLN HA 1 10 GLY HA3 4.344 . 6.703 4.347 4.292 4.405 . 0 0 "[ . 1]" 1
252 1 9 GLN HA 1 11 GLY H 4.003 . 6.006 4.898 3.582 6.008 0.002 5 0 "[ . 1]" 1
253 1 9 GLN HB2 1 12 SER H 4.248 . 6.504 5.313 4.223 6.201 . 0 0 "[ . 1]" 1
254 1 9 GLN HB2 1 12 SER HB2 3.745 . 5.498 5.171 4.270 5.532 0.034 2 0 "[ . 1]" 1
255 1 9 GLN HB2 1 12 SER HB3 4.048 . 6.096 5.841 5.201 6.111 0.015 9 0 "[ . 1]" 1
256 1 9 GLN HB2 1 16 VAL MG1 3.840 . 5.683 4.431 4.156 5.016 . 0 0 "[ . 1]" 1
257 1 9 GLN HB2 1 16 VAL MG2 3.234 . 4.542 2.610 2.002 4.552 0.010 5 0 "[ . 1]" 1
258 1 9 GLN HB3 1 10 GLY H 4.271 . 6.552 4.347 4.153 4.430 . 0 0 "[ . 1]" 1
259 1 9 GLN HB3 1 12 SER H 4.266 . 6.541 4.446 3.841 5.155 . 0 0 "[ . 1]" 1
260 1 9 GLN HB3 1 12 SER HB3 4.283 . 6.576 6.169 5.104 6.887 0.311 6 0 "[ . 1]" 1
261 1 9 GLN HE21 1 9 GLN QG 3.765 . 5.536 2.322 2.142 2.783 . 0 0 "[ . 1]" 1
262 1 9 GLN HE21 1 15 SER QB 4.074 . 6.148 4.737 2.823 6.016 . 0 0 "[ . 1]" 1
263 1 9 GLN HE21 1 16 VAL MG2 3.834 . 5.671 3.328 2.153 4.769 . 0 0 "[ . 1]" 1
264 1 9 GLN HE22 1 16 VAL MG2 3.623 . 5.264 3.555 1.962 4.636 0.020 5 0 "[ . 1]" 1
265 1 9 GLN QG 1 10 GLY H 4.290 . 6.590 4.224 3.247 4.903 . 0 0 "[ . 1]" 1
266 1 9 GLN QG 1 16 VAL MG2 2.874 . 3.906 3.339 1.966 3.844 . 0 0 "[ . 1]" 1
267 1 10 GLY H 1 11 GLY H 3.585 . 5.192 2.987 2.352 3.827 . 0 0 "[ . 1]" 1
268 1 10 GLY HA2 1 11 GLY H 2.763 . 3.717 2.923 2.252 3.546 . 0 0 "[ . 1]" 1
269 1 10 GLY HA2 1 11 GLY HA3 3.149 . 4.389 3.899 3.666 4.217 . 0 0 "[ . 1]" 1
270 1 10 GLY HA3 1 11 GLY H 2.795 . 3.771 3.182 2.351 3.570 . 0 0 "[ . 1]" 1
271 1 10 GLY HA3 1 28 CYS HB3 7.171 . 13.598 8.110 6.544 8.889 . 0 0 "[ . 1]" 1
272 1 11 GLY H 1 11 GLY HA2 2.488 . 3.262 2.544 2.326 2.949 . 0 0 "[ . 1]" 1
273 1 11 GLY H 1 11 GLY HA3 2.600 . 3.445 2.815 2.547 2.957 . 0 0 "[ . 1]" 1
274 1 11 GLY H 1 12 SER H 2.967 . 4.068 2.609 1.780 3.461 0.086 1 0 "[ . 1]" 1
275 1 11 GLY H 1 12 SER HA 3.916 . 5.833 4.830 4.508 5.087 . 0 0 "[ . 1]" 1
276 1 11 GLY HA3 1 12 SER H 2.811 . 3.799 2.946 2.485 3.292 . 0 0 "[ . 1]" 1
277 1 11 GLY HA3 1 28 CYS HB3 4.501 . 7.033 5.088 4.326 5.732 . 0 0 "[ . 1]" 1
278 1 12 SER H 1 12 SER HA 2.818 . 3.811 2.929 2.907 2.948 . 0 0 "[ . 1]" 1
279 1 12 SER H 1 12 SER HB2 2.465 . 3.225 3.132 2.629 3.929 0.704 3 3 "[ + .* - 1]" 1
280 1 12 SER H 1 13 CYS H 3.938 . 5.876 4.372 4.310 4.468 . 0 0 "[ . 1]" 1
281 1 12 SER HA 1 12 SER HB2 2.513 . 3.302 2.786 2.419 3.025 . 0 0 "[ . 1]" 1
282 1 12 SER HA 1 12 SER HB3 2.776 . 3.739 2.503 2.385 3.033 . 0 0 "[ . 1]" 1
283 1 12 SER HA 1 13 CYS H 2.633 . 3.500 2.598 2.456 2.770 . 0 0 "[ . 1]" 1
284 1 12 SER HA 1 14 ALA H 3.095 . 4.293 4.348 4.315 4.389 0.096 1 0 "[ . 1]" 1
285 1 12 SER HA 1 14 ALA MB 4.171 . 6.345 5.280 5.207 5.344 . 0 0 "[ . 1]" 1
286 1 12 SER HA 1 27 LYS QE 4.392 . 6.803 6.217 5.541 6.843 0.040 7 0 "[ . 1]" 1
287 1 12 SER HA 1 28 CYS HB3 9.102 . 19.457 3.859 3.482 4.468 . 0 0 "[ . 1]" 1
288 1 12 SER HB2 1 13 CYS H 3.873 . 5.748 2.884 1.960 3.528 0.038 8 0 "[ . 1]" 1
289 1 12 SER HB2 1 14 ALA H 2.595 . 3.437 2.569 2.416 2.808 . 0 0 "[ . 1]" 1
290 1 12 SER HB3 1 13 CYS H 3.799 . 5.603 2.679 2.062 3.630 . 0 0 "[ . 1]" 1
291 1 12 SER HB3 1 14 ALA H 3.335 . 4.726 3.272 2.704 4.267 . 0 0 "[ . 1]" 1
292 1 12 SER HB3 1 26 GLY H 4.000 . 6.000 5.132 4.090 6.671 0.671 3 1 "[ + . 1]" 1
293 1 12 SER HB3 1 34 VAL QG 4.203 . 6.411 6.606 6.250 7.240 0.829 3 4 "[ *+ .- * 1]" 1
294 1 13 CYS H 1 13 CYS HB2 3.269 . 4.605 2.838 2.591 3.200 . 0 0 "[ . 1]" 1
295 1 13 CYS H 1 13 CYS HB3 3.521 . 5.071 3.425 2.784 3.804 . 0 0 "[ . 1]" 1
296 1 13 CYS H 1 14 ALA H 2.821 . 3.816 2.303 2.129 2.498 . 0 0 "[ . 1]" 1
297 1 13 CYS H 1 28 CYS H 3.896 . 5.794 3.920 3.707 4.157 . 0 0 "[ . 1]" 1
298 1 13 CYS H 1 28 CYS HB3 3.643 . 5.302 4.214 4.104 4.317 . 0 0 "[ . 1]" 1
299 1 13 CYS HA 1 14 ALA H 2.760 . 3.712 2.894 2.773 2.968 . 0 0 "[ . 1]" 1
300 1 13 CYS HA 1 16 VAL H 2.978 . 4.086 3.238 2.934 3.659 . 0 0 "[ . 1]" 1
301 1 13 CYS HA 1 16 VAL HB 2.973 . 4.077 3.124 2.614 3.753 . 0 0 "[ . 1]" 1
302 1 13 CYS HA 1 16 VAL MG1 3.501 . 5.033 4.418 3.947 5.053 0.020 5 0 "[ . 1]" 1
303 1 13 CYS HA 1 17 CYS H 3.323 . 4.703 4.301 3.997 4.612 . 0 0 "[ . 1]" 1
304 1 13 CYS HA 1 33 CYS HB3 7.365 . 14.145 5.149 4.601 6.325 . 0 0 "[ . 1]" 1
305 1 13 CYS HB2 1 14 ALA H 3.492 . 5.016 4.253 4.014 4.558 . 0 0 "[ . 1]" 1
306 1 13 CYS HB2 1 17 CYS H 4.325 . 6.663 4.755 4.162 5.503 . 0 0 "[ . 1]" 1
307 1 13 CYS HB2 1 26 GLY HA3 3.913 . 5.827 3.384 2.328 5.224 . 0 0 "[ . 1]" 1
308 1 13 CYS HB2 1 27 LYS H 3.512 . 5.054 3.892 3.427 4.883 . 0 0 "[ . 1]" 1
309 1 13 CYS HB2 1 28 CYS H 4.060 . 6.121 4.981 4.830 5.234 . 0 0 "[ . 1]" 1
310 1 13 CYS HB3 1 14 ALA H 3.379 . 4.806 4.293 4.067 4.462 . 0 0 "[ . 1]" 1
311 1 13 CYS HB3 1 16 VAL HB 4.573 . 7.187 2.841 2.084 4.119 . 0 0 "[ . 1]" 1
312 1 13 CYS HB3 1 16 VAL MG1 5.262 . 8.723 3.728 2.935 4.906 . 0 0 "[ . 1]" 1
313 1 13 CYS HB3 1 16 VAL MG2 5.516 . 9.320 3.753 2.833 5.054 . 0 0 "[ . 1]" 1
314 1 13 CYS HB3 1 17 CYS H 3.323 . 4.703 3.635 3.166 4.159 . 0 0 "[ . 1]" 1
315 1 13 CYS HB3 1 26 GLY H 4.277 . 6.564 5.615 4.411 6.541 . 0 0 "[ . 1]" 1
316 1 13 CYS HB3 1 26 GLY HA3 3.812 . 5.629 3.186 1.988 4.086 0.007 8 0 "[ . 1]" 1
317 1 13 CYS HB3 1 27 LYS H 3.523 . 5.074 4.498 3.227 5.134 0.060 1 0 "[ . 1]" 1
318 1 13 CYS HB3 1 33 CYS HA 4.371 . 6.759 3.795 2.992 4.619 . 0 0 "[ . 1]" 1
319 1 13 CYS HB3 1 33 CYS HB2 4.256 . 6.521 3.895 3.595 4.204 . 0 0 "[ . 1]" 1
320 1 13 CYS HB3 1 33 CYS HB3 3.268 . 4.603 3.154 2.067 5.182 0.579 8 2 "[ .- + 1]" 1
321 1 13 CYS HB3 1 34 VAL H 4.003 . 6.006 4.403 3.194 5.210 . 0 0 "[ . 1]" 1
322 1 14 ALA H 1 14 ALA HA 2.273 . 2.919 2.513 2.499 2.531 . 0 0 "[ . 1]" 1
323 1 14 ALA H 1 14 ALA MB 1.941 . 2.412 2.227 2.220 2.236 . 0 0 "[ . 1]" 1
324 1 14 ALA H 1 15 SER H 2.905 . 3.960 2.783 2.662 3.036 . 0 0 "[ . 1]" 1
325 1 14 ALA H 1 16 VAL H 3.606 . 5.232 4.009 3.787 4.347 . 0 0 "[ . 1]" 1
326 1 14 ALA H 1 17 CYS H 3.866 . 5.734 4.197 4.122 4.303 . 0 0 "[ . 1]" 1
327 1 14 ALA H 1 17 CYS HB2 4.104 . 6.209 4.769 4.587 4.866 . 0 0 "[ . 1]" 1
328 1 14 ALA H 1 24 ALA MB 4.016 . 6.032 5.508 5.188 5.843 . 0 0 "[ . 1]" 1
329 1 14 ALA H 1 25 ALA HA 4.171 . 6.346 4.756 4.453 4.990 . 0 0 "[ . 1]" 1
330 1 14 ALA HA 1 14 ALA MB 2.274 . 2.920 2.127 2.125 2.129 . 0 0 "[ . 1]" 1
331 1 14 ALA HA 1 18 ARG HB2 5.046 . 8.228 4.234 3.882 4.457 . 0 0 "[ . 1]" 1
332 1 14 ALA HA 1 17 CYS H 3.074 . 4.256 3.863 3.384 4.207 . 0 0 "[ . 1]" 1
333 1 14 ALA HA 1 17 CYS HB2 3.108 . 4.315 3.235 2.473 3.619 . 0 0 "[ . 1]" 1
334 1 14 ALA HA 1 17 CYS HB3 4.703 . 7.467 4.915 4.108 5.313 . 0 0 "[ . 1]" 1
335 1 14 ALA HA 1 18 ARG H 3.238 . 4.549 4.214 4.082 4.329 . 0 0 "[ . 1]" 1
336 1 14 ALA HA 1 24 ALA HA 3.159 . 4.406 3.285 2.865 3.604 . 0 0 "[ . 1]" 1
337 1 14 ALA HA 1 24 ALA MB 3.056 . 4.223 3.807 3.384 4.275 0.052 2 0 "[ . 1]" 1
338 1 14 ALA HA 1 25 ALA H 3.684 . 5.381 4.020 3.705 4.378 . 0 0 "[ . 1]" 1
339 1 14 ALA HA 1 25 ALA HA 3.712 . 5.434 3.729 3.268 4.422 . 0 0 "[ . 1]" 1
340 1 14 ALA HA 1 26 GLY H 3.198 . 4.476 3.071 2.613 3.585 . 0 0 "[ . 1]" 1
341 1 14 ALA MB 1 15 SER H 2.402 . 3.123 2.401 2.170 2.627 . 0 0 "[ . 1]" 1
342 1 14 ALA MB 1 16 VAL H 3.635 . 5.287 4.359 4.151 4.576 . 0 0 "[ . 1]" 1
343 1 14 ALA MB 1 16 VAL HA 5.019 . 8.167 5.278 4.796 5.572 . 0 0 "[ . 1]" 1
344 1 14 ALA MB 1 17 CYS H 3.661 . 5.337 4.491 4.277 4.700 . 0 0 "[ . 1]" 1
345 1 14 ALA MB 1 18 ARG H 3.583 . 5.187 4.785 4.584 4.909 . 0 0 "[ . 1]" 1
346 1 14 ALA MB 1 24 ALA HA 3.102 . 4.304 3.329 3.033 3.695 . 0 0 "[ . 1]" 1
347 1 14 ALA MB 1 24 ALA MB 2.954 . 4.045 2.452 2.080 2.782 . 0 0 "[ . 1]" 1
348 1 15 SER H 1 15 SER HA 2.561 . 3.381 2.840 2.817 2.859 . 0 0 "[ . 1]" 1
349 1 15 SER H 1 15 SER QB 2.339 . 3.023 2.524 2.274 2.684 . 0 0 "[ . 1]" 1
350 1 15 SER H 1 16 VAL H 2.512 . 3.301 2.554 2.457 2.635 . 0 0 "[ . 1]" 1
351 1 15 SER H 1 16 VAL HB 3.983 . 5.966 4.754 4.573 4.959 . 0 0 "[ . 1]" 1
352 1 15 SER H 1 16 VAL MG2 3.599 . 5.218 3.963 3.814 4.236 . 0 0 "[ . 1]" 1
353 1 15 SER H 1 18 ARG HB2 4.296 . 6.603 5.001 4.455 5.296 . 0 0 "[ . 1]" 1
354 1 15 SER H 1 24 ALA MB 4.242 . 6.491 4.804 4.699 4.930 . 0 0 "[ . 1]" 1
355 1 15 SER HA 1 16 VAL H 3.000 . 4.125 3.500 3.445 3.543 . 0 0 "[ . 1]" 1
356 1 15 SER HA 1 16 VAL MG1 5.332 . 8.885 5.549 5.450 5.600 . 0 0 "[ . 1]" 1
357 1 15 SER HA 1 16 VAL MG2 3.556 . 5.136 4.397 4.325 4.439 . 0 0 "[ . 1]" 1
358 1 15 SER HA 1 17 CYS H 3.569 . 5.161 4.739 4.606 4.964 . 0 0 "[ . 1]" 1
359 1 15 SER HA 1 18 ARG H 2.701 . 3.613 3.429 3.138 3.625 0.012 6 0 "[ . 1]" 1
360 1 15 SER HA 1 18 ARG HB2 2.623 . 3.483 2.936 2.134 3.326 . 0 0 "[ . 1]" 1
361 1 15 SER HA 1 18 ARG HB3 2.553 . 3.368 2.573 2.221 3.011 . 0 0 "[ . 1]" 1
362 1 15 SER HA 1 18 ARG QD 3.021 . 4.162 3.394 2.828 3.921 . 0 0 "[ . 1]" 1
363 1 15 SER HA 1 24 ALA MB 3.502 . 5.035 4.018 3.703 4.215 . 0 0 "[ . 1]" 1
364 1 15 SER QB 1 16 VAL H 2.625 . 3.486 2.884 2.610 3.355 . 0 0 "[ . 1]" 1
365 1 15 SER QB 1 16 VAL MG2 3.416 . 4.875 3.439 3.136 3.970 . 0 0 "[ . 1]" 1
366 1 15 SER QB 1 19 LYS H 4.010 . 6.020 5.261 4.794 5.597 . 0 0 "[ . 1]" 1
367 1 16 VAL H 1 16 VAL HA 2.523 . 3.319 2.825 2.807 2.877 . 0 0 "[ . 1]" 1
368 1 16 VAL H 1 16 VAL HB 2.261 . 2.900 2.485 2.387 2.568 . 0 0 "[ . 1]" 1
369 1 16 VAL H 1 16 VAL MG1 2.968 . 4.069 3.762 3.730 3.786 . 0 0 "[ . 1]" 1
370 1 16 VAL H 1 16 VAL MG2 2.189 . 2.788 2.158 2.003 2.319 . 0 0 "[ . 1]" 1
371 1 16 VAL H 1 17 CYS H 2.338 . 3.021 2.743 2.641 2.810 . 0 0 "[ . 1]" 1
372 1 16 VAL H 1 17 CYS HB2 3.983 . 5.966 4.807 4.624 4.936 . 0 0 "[ . 1]" 1
373 1 16 VAL H 1 18 ARG H 3.595 . 5.210 3.809 3.622 3.933 . 0 0 "[ . 1]" 1
374 1 16 VAL HA 1 16 VAL HB 2.677 . 3.573 3.024 3.019 3.028 . 0 0 "[ . 1]" 1
375 1 16 VAL HA 1 16 VAL MG1 2.550 . 3.363 2.464 2.389 2.533 . 0 0 "[ . 1]" 1
376 1 16 VAL HA 1 16 VAL MG2 2.362 . 3.060 2.353 2.298 2.403 . 0 0 "[ . 1]" 1
377 1 16 VAL HA 1 17 CYS H 2.992 . 4.111 3.562 3.556 3.572 . 0 0 "[ . 1]" 1
378 1 16 VAL HA 1 19 LYS H 3.328 . 4.713 3.623 3.483 3.752 . 0 0 "[ . 1]" 1
379 1 16 VAL HA 1 19 LYS HB2 3.400 . 4.845 4.045 3.797 4.408 . 0 0 "[ . 1]" 1
380 1 16 VAL HA 1 19 LYS QD 3.892 . 5.785 4.786 4.040 5.809 0.024 4 0 "[ . 1]" 1
381 1 16 VAL HA 1 19 LYS HG3 4.566 . 7.172 5.956 5.042 6.503 . 0 0 "[ . 1]" 1
382 1 16 VAL HA 1 20 VAL H 3.555 . 5.135 4.410 4.185 4.601 . 0 0 "[ . 1]" 1
383 1 16 VAL HB 1 17 CYS H 2.252 . 2.886 2.331 2.210 2.526 . 0 0 "[ . 1]" 1
384 1 16 VAL HB 1 17 CYS HB2 8.872 . 18.712 4.300 4.113 4.419 . 0 0 "[ . 1]" 1
385 1 16 VAL HB 1 18 ARG H 3.837 . 5.677 4.367 4.266 4.519 . 0 0 "[ . 1]" 1
386 1 16 VAL HB 1 33 CYS HB2 4.396 . 6.811 4.625 4.176 4.925 . 0 0 "[ . 1]" 1
387 1 16 VAL HB 1 33 CYS HB3 4.754 . 7.579 4.170 3.662 5.086 . 0 0 "[ . 1]" 1
388 1 16 VAL MG1 1 16 VAL MG2 2.049 . 2.574 2.088 2.086 2.091 . 0 0 "[ . 1]" 1
389 1 16 VAL MG1 1 17 CYS H 2.660 . 3.544 3.117 2.995 3.223 . 0 0 "[ . 1]" 1
390 1 16 VAL MG1 1 17 CYS HA 3.590 . 5.201 3.248 3.130 3.363 . 0 0 "[ . 1]" 1
391 1 16 VAL MG1 1 17 CYS HB2 4.520 . 7.074 3.872 3.718 4.063 . 0 0 "[ . 1]" 1
392 1 16 VAL MG1 1 18 ARG H 3.690 . 5.392 4.502 4.438 4.597 . 0 0 "[ . 1]" 1
393 1 16 VAL MG1 1 19 LYS H 4.028 . 6.057 4.475 4.269 4.589 . 0 0 "[ . 1]" 1
394 1 16 VAL MG1 1 20 VAL H 3.354 . 4.760 3.989 3.788 4.286 . 0 0 "[ . 1]" 1
395 1 16 VAL MG1 1 33 CYS HA 3.763 . 5.533 5.316 5.015 5.667 0.134 7 0 "[ . 1]" 1
396 1 16 VAL MG1 1 33 CYS HB2 2.637 . 3.506 3.458 3.334 3.606 0.100 5 0 "[ . 1]" 1
397 1 16 VAL MG1 1 33 CYS HB3 3.257 . 4.583 3.447 3.054 3.693 . 0 0 "[ . 1]" 1
398 1 16 VAL MG2 1 17 CYS H 2.885 . 3.926 3.751 3.664 3.881 . 0 0 "[ . 1]" 1
399 1 16 VAL MG2 1 17 CYS HB2 5.463 . 9.193 4.854 4.695 4.961 . 0 0 "[ . 1]" 1
400 1 16 VAL MG2 1 18 ARG H 3.823 . 5.650 4.417 4.288 4.548 . 0 0 "[ . 1]" 1
401 1 16 VAL MG2 1 27 LYS H 4.246 . 6.500 6.121 5.755 6.349 . 0 0 "[ . 1]" 1
402 1 16 VAL MG2 1 34 VAL H 4.552 . 7.143 5.529 5.340 5.802 . 0 0 "[ . 1]" 1
403 1 16 VAL MG2 1 33 CYS HA 4.315 . 6.642 5.694 5.361 6.337 . 0 0 "[ . 1]" 1
404 1 16 VAL MG2 1 33 CYS HB2 4.100 . 6.201 4.522 3.876 4.922 . 0 0 "[ . 1]" 1
405 1 16 VAL MG2 1 33 CYS HB3 4.844 . 7.777 4.520 4.116 4.918 . 0 0 "[ . 1]" 1
406 1 17 CYS H 1 17 CYS HA 2.444 . 3.191 2.809 2.783 2.827 . 0 0 "[ . 1]" 1
407 1 17 CYS H 1 17 CYS HB2 2.213 . 2.825 2.444 2.406 2.490 . 0 0 "[ . 1]" 1
408 1 17 CYS H 1 17 CYS HB3 2.654 . 3.535 3.568 3.560 3.574 0.039 2 0 "[ . 1]" 1
409 1 17 CYS H 1 18 ARG H 2.384 . 3.095 2.641 2.580 2.745 . 0 0 "[ . 1]" 1
410 1 17 CYS H 1 18 ARG HA 3.594 . 5.208 4.113 4.004 4.280 . 0 0 "[ . 1]" 1
411 1 17 CYS H 1 18 ARG HB2 3.908 . 5.817 4.045 3.947 4.195 . 0 0 "[ . 1]" 1
412 1 17 CYS H 1 35 CYS HB3 3.383 . 4.813 4.519 4.151 4.871 0.058 8 0 "[ . 1]" 1
413 1 17 CYS H 1 19 LYS H 3.712 . 5.434 4.127 4.040 4.268 . 0 0 "[ . 1]" 1
414 1 17 CYS H 1 26 GLY HA3 4.134 . 6.270 4.114 3.754 4.778 . 0 0 "[ . 1]" 1
415 1 17 CYS H 1 33 CYS HB3 3.912 . 5.825 5.313 4.586 6.501 0.676 6 2 "[ .+ - 1]" 1
416 1 17 CYS HA 1 17 CYS HB2 2.817 . 3.809 3.020 3.014 3.024 . 0 0 "[ . 1]" 1
417 1 17 CYS HA 1 18 ARG H 2.982 . 4.093 3.484 3.449 3.516 . 0 0 "[ . 1]" 1
418 1 17 CYS HA 1 19 LYS H 3.703 . 5.417 3.846 3.642 4.006 . 0 0 "[ . 1]" 1
419 1 17 CYS HA 1 20 VAL H 2.819 . 3.813 2.937 2.689 3.170 . 0 0 "[ . 1]" 1
420 1 17 CYS HA 1 20 VAL HB 3.253 . 4.576 2.268 1.981 2.462 . 0 0 "[ . 1]" 1
421 1 17 CYS HA 1 20 VAL MG1 4.822 . 7.728 3.834 3.614 3.969 . 0 0 "[ . 1]" 1
422 1 17 CYS HA 1 20 VAL MG2 3.460 . 4.956 2.796 2.573 2.960 . 0 0 "[ . 1]" 1
423 1 17 CYS HA 1 21 ILE H 3.015 . 4.151 3.068 2.931 3.165 . 0 0 "[ . 1]" 1
424 1 17 CYS HA 1 21 ILE HB 4.046 . 6.092 6.089 5.871 6.172 0.080 9 0 "[ . 1]" 1
425 1 17 CYS HA 1 21 ILE HG12 4.253 . 6.514 3.195 3.026 3.318 . 0 0 "[ . 1]" 1
426 1 17 CYS HA 1 21 ILE MG 4.767 . 7.607 4.170 3.816 4.431 . 0 0 "[ . 1]" 1
427 1 17 CYS HA 1 35 CYS HB3 5.028 . 8.188 4.172 4.011 4.386 . 0 0 "[ . 1]" 1
428 1 17 CYS HB2 1 18 ARG H 2.657 . 3.539 2.920 2.801 3.057 . 0 0 "[ . 1]" 1
429 1 17 CYS HB2 1 18 ARG HA 4.268 . 6.545 4.436 4.367 4.527 . 0 0 "[ . 1]" 1
430 1 17 CYS HB2 1 21 ILE HG12 4.538 . 7.112 4.228 3.932 4.561 . 0 0 "[ . 1]" 1
431 1 17 CYS HB2 1 21 ILE HG13 3.942 . 5.884 4.297 4.111 4.528 . 0 0 "[ . 1]" 1
432 1 17 CYS HB2 1 23 VAL H 4.568 . 7.176 5.202 4.853 5.552 . 0 0 "[ . 1]" 1
433 1 17 CYS HB2 1 23 VAL QG 4.190 . 6.384 4.480 3.382 5.304 . 0 0 "[ . 1]" 1
434 1 17 CYS HB2 1 24 ALA HA 4.529 . 7.093 3.617 3.397 3.917 . 0 0 "[ . 1]" 1
435 1 17 CYS HB2 1 24 ALA MB 4.707 . 7.477 5.036 4.849 5.264 . 0 0 "[ . 1]" 1
436 1 17 CYS HB2 1 25 ALA H 3.199 . 4.478 3.539 3.209 3.867 . 0 0 "[ . 1]" 1
437 1 17 CYS HB2 1 26 GLY H 3.951 . 5.902 4.681 4.427 4.964 . 0 0 "[ . 1]" 1
438 1 17 CYS HB2 1 26 GLY HA3 4.476 . 6.980 3.276 2.998 3.522 . 0 0 "[ . 1]" 1
439 1 17 CYS HB2 1 35 CYS H 4.558 . 7.155 6.272 5.990 6.470 . 0 0 "[ . 1]" 1
440 1 17 CYS HB2 1 35 CYS HA 4.149 . 6.301 3.926 3.629 4.076 . 0 0 "[ . 1]" 1
441 1 17 CYS HB2 1 35 CYS HB2 4.409 . 6.839 5.487 5.336 5.694 . 0 0 "[ . 1]" 1
442 1 17 CYS HB2 1 35 CYS HB3 3.150 . 4.390 4.071 3.851 4.385 . 0 0 "[ . 1]" 1
443 1 17 CYS HB3 1 18 ARG H 3.013 . 4.148 3.860 3.739 3.983 . 0 0 "[ . 1]" 1
444 1 17 CYS HB3 1 20 VAL H 4.282 . 6.574 4.972 4.748 5.198 . 0 0 "[ . 1]" 1
445 1 17 CYS HB3 1 20 VAL MG2 7.225 . 13.750 4.849 4.577 5.043 . 0 0 "[ . 1]" 1
446 1 17 CYS HB3 1 21 ILE H 4.126 . 6.254 3.879 3.571 4.170 . 0 0 "[ . 1]" 1
447 1 17 CYS HB3 1 21 ILE MD 4.446 . 6.917 2.715 2.514 2.852 . 0 0 "[ . 1]" 1
448 1 17 CYS HB3 1 21 ILE HG12 4.438 . 6.900 2.599 2.279 2.961 . 0 0 "[ . 1]" 1
449 1 17 CYS HB3 1 21 ILE HG13 4.130 . 6.262 3.485 3.331 3.648 . 0 0 "[ . 1]" 1
450 1 17 CYS HB3 1 21 ILE MG 7.091 . 13.377 3.459 2.868 3.973 . 0 0 "[ . 1]" 1
451 1 17 CYS HB3 1 23 VAL H 4.176 . 6.356 4.343 3.939 4.665 . 0 0 "[ . 1]" 1
452 1 17 CYS HB3 1 23 VAL HB 3.623 . 5.264 4.584 4.061 5.242 . 0 0 "[ . 1]" 1
453 1 17 CYS HB3 1 23 VAL QG 5.116 . 8.388 3.752 2.866 4.427 . 0 0 "[ . 1]" 1
454 1 17 CYS HB3 1 25 ALA H 3.274 . 4.614 3.958 3.725 4.228 . 0 0 "[ . 1]" 1
455 1 17 CYS HB3 1 26 GLY H 3.962 . 5.924 5.357 5.243 5.464 . 0 0 "[ . 1]" 1
456 1 17 CYS HB3 1 26 GLY HA2 6.394 . 11.504 4.602 4.373 4.731 . 0 0 "[ . 1]" 1
457 1 17 CYS HB3 1 26 GLY HA3 3.969 . 5.938 4.049 3.950 4.151 . 0 0 "[ . 1]" 1
458 1 17 CYS HB3 1 35 CYS HA 3.552 . 5.129 3.461 3.255 3.659 . 0 0 "[ . 1]" 1
459 1 17 CYS HB3 1 35 CYS HB2 4.639 . 7.329 4.127 3.938 4.369 . 0 0 "[ . 1]" 1
460 1 17 CYS HB3 1 36 TYR H 3.042 . 4.199 3.409 3.362 3.457 . 0 0 "[ . 1]" 1
461 1 18 ARG H 1 18 ARG HB2 2.183 . 2.779 2.467 2.220 2.519 . 0 0 "[ . 1]" 1
462 1 18 ARG H 1 18 ARG HB3 2.316 . 2.987 2.567 2.468 2.802 . 0 0 "[ . 1]" 1
463 1 18 ARG H 1 18 ARG QD 3.365 . 4.781 4.537 4.327 4.888 0.107 9 0 "[ . 1]" 1
464 1 18 ARG H 1 19 LYS H 2.397 . 3.115 2.592 2.562 2.726 . 0 0 "[ . 1]" 1
465 1 18 ARG H 1 23 VAL H 3.799 . 5.603 5.250 4.661 5.629 0.026 1 0 "[ . 1]" 1
466 1 18 ARG H 1 23 VAL QG 4.200 . 6.405 5.323 4.738 5.774 . 0 0 "[ . 1]" 1
467 1 18 ARG H 1 24 ALA HA 2.664 . 3.551 3.297 3.126 3.390 . 0 0 "[ . 1]" 1
468 1 18 ARG H 1 24 ALA MB 3.239 . 4.550 4.405 4.240 4.561 0.011 7 0 "[ . 1]" 1
469 1 18 ARG H 1 25 ALA H 4.365 . 6.747 5.011 4.726 5.285 . 0 0 "[ . 1]" 1
470 1 18 ARG HA 1 18 ARG HB2 2.712 . 3.631 2.488 2.430 2.620 . 0 0 "[ . 1]" 1
471 1 18 ARG HA 1 18 ARG HB3 2.771 . 3.731 3.023 3.000 3.027 . 0 0 "[ . 1]" 1
472 1 18 ARG HA 1 18 ARG QD 3.186 . 4.455 4.026 3.970 4.134 . 0 0 "[ . 1]" 1
473 1 18 ARG HA 1 18 ARG QG 2.865 . 3.891 2.442 2.356 2.520 . 0 0 "[ . 1]" 1
474 1 18 ARG HA 1 19 LYS H 3.036 . 4.188 3.471 3.434 3.507 . 0 0 "[ . 1]" 1
475 1 18 ARG HA 1 20 VAL H 3.854 . 5.711 4.556 4.321 4.716 . 0 0 "[ . 1]" 1
476 1 18 ARG HA 1 21 ILE H 3.857 . 5.717 4.424 4.313 4.573 . 0 0 "[ . 1]" 1
477 1 18 ARG HA 1 22 GLY H 3.097 . 4.296 3.023 2.800 3.211 . 0 0 "[ . 1]" 1
478 1 18 ARG HA 1 22 GLY HA2 3.336 . 4.727 3.216 2.958 3.479 . 0 0 "[ . 1]" 1
479 1 18 ARG HA 1 22 GLY HA3 3.773 . 5.552 4.384 4.100 4.627 . 0 0 "[ . 1]" 1
480 1 18 ARG HA 1 23 VAL H 2.638 . 3.508 3.181 2.565 3.551 0.043 8 0 "[ . 1]" 1
481 1 18 ARG HA 1 23 VAL HA 3.567 . 5.157 3.797 3.609 4.038 . 0 0 "[ . 1]" 1
482 1 18 ARG HA 1 23 VAL QG 4.517 . 7.067 4.154 3.971 4.442 . 0 0 "[ . 1]" 1
483 1 18 ARG HA 1 24 ALA HA 3.588 . 5.197 3.432 3.163 3.637 . 0 0 "[ . 1]" 1
484 1 18 ARG HA 1 24 ALA MB 3.931 . 5.863 4.016 3.719 4.197 . 0 0 "[ . 1]" 1
485 1 18 ARG HB2 1 18 ARG QD 2.905 . 3.960 2.478 2.349 3.144 . 0 0 "[ . 1]" 1
486 1 18 ARG HB2 1 18 ARG HE 3.641 . 5.298 3.833 2.435 4.459 . 0 0 "[ . 1]" 1
487 1 18 ARG HB2 1 18 ARG QG 2.310 . 2.977 2.338 2.270 2.384 . 0 0 "[ . 1]" 1
488 1 18 ARG HB2 1 19 LYS H 2.997 . 4.120 3.974 3.696 4.090 . 0 0 "[ . 1]" 1
489 1 18 ARG HB2 1 24 ALA HA 3.162 . 4.412 2.378 2.148 2.661 . 0 0 "[ . 1]" 1
490 1 18 ARG HB2 1 24 ALA MB 3.148 . 4.386 2.673 2.470 3.067 . 0 0 "[ . 1]" 1
491 1 18 ARG HB3 1 18 ARG QD 2.905 . 3.960 2.612 2.364 3.037 . 0 0 "[ . 1]" 1
492 1 18 ARG HB3 1 18 ARG HE 3.747 . 5.502 3.372 2.177 4.467 . 0 0 "[ . 1]" 1
493 1 18 ARG HB3 1 18 ARG QG 2.652 . 3.531 2.344 2.297 2.405 . 0 0 "[ . 1]" 1
494 1 18 ARG HB3 1 19 LYS H 2.709 . 3.627 2.885 2.757 3.075 . 0 0 "[ . 1]" 1
495 1 18 ARG HB3 1 22 GLY HA2 4.267 . 6.542 5.410 5.150 5.807 . 0 0 "[ . 1]" 1
496 1 18 ARG HB3 1 24 ALA HA 3.451 . 4.940 4.038 3.853 4.384 . 0 0 "[ . 1]" 1
497 1 18 ARG HB3 1 24 ALA MB 3.393 . 4.832 4.026 3.839 4.331 . 0 0 "[ . 1]" 1
498 1 18 ARG QD 1 18 ARG HE 2.414 . 3.143 2.461 2.286 2.494 . 0 0 "[ . 1]" 1
499 1 18 ARG QD 1 18 ARG QG 2.267 . 2.910 2.042 1.963 2.090 . 0 0 "[ . 1]" 1
500 1 18 ARG QD 1 19 LYS H 4.140 . 6.282 5.067 4.661 5.442 . 0 0 "[ . 1]" 1
501 1 18 ARG QD 1 22 GLY HA2 5.383 . 9.005 5.645 5.335 6.158 . 0 0 "[ . 1]" 1
502 1 18 ARG QD 1 24 ALA MB 3.014 . 4.150 2.417 2.001 3.190 . 0 0 "[ . 1]" 1
503 1 18 ARG HE 1 18 ARG QG 3.369 . 4.788 2.429 2.251 3.163 . 0 0 "[ . 1]" 1
504 1 18 ARG HE 1 24 ALA MB 3.405 . 4.854 4.345 3.675 4.859 0.005 6 0 "[ . 1]" 1
505 1 18 ARG QG 1 19 LYS H 2.831 . 3.833 3.702 3.525 3.877 0.044 9 0 "[ . 1]" 1
506 1 18 ARG QG 1 21 ILE H 4.330 . 6.673 5.702 5.447 5.798 . 0 0 "[ . 1]" 1
507 1 18 ARG QG 1 22 GLY HA2 4.781 . 7.638 3.634 3.380 4.043 . 0 0 "[ . 1]" 1
508 1 18 ARG QG 1 23 VAL H 4.357 . 6.730 4.733 4.197 5.292 . 0 0 "[ . 1]" 1
509 1 18 ARG QG 1 24 ALA H 3.597 . 5.214 4.101 3.614 4.651 . 0 0 "[ . 1]" 1
510 1 18 ARG QG 1 24 ALA HA 3.405 . 4.855 3.790 3.186 4.039 . 0 0 "[ . 1]" 1
511 1 19 LYS H 1 19 LYS HA 2.518 . 3.311 2.902 2.882 2.922 . 0 0 "[ . 1]" 1
512 1 19 LYS H 1 19 LYS HB2 2.377 . 3.083 2.687 2.596 2.805 . 0 0 "[ . 1]" 1
513 1 19 LYS H 1 19 LYS HB3 2.470 . 3.233 2.488 2.422 2.570 . 0 0 "[ . 1]" 1
514 1 19 LYS H 1 19 LYS QD 3.955 . 5.910 4.482 4.230 4.763 . 0 0 "[ . 1]" 1
515 1 19 LYS H 1 19 LYS HG2 3.345 . 4.744 4.474 4.376 4.650 . 0 0 "[ . 1]" 1
516 1 19 LYS H 1 20 VAL H 2.364 . 3.062 2.294 2.165 2.416 . 0 0 "[ . 1]" 1
517 1 19 LYS H 1 20 VAL MG1 4.228 . 6.463 5.632 5.522 5.737 . 0 0 "[ . 1]" 1
518 1 19 LYS H 1 20 VAL MG2 3.215 . 4.507 3.674 3.575 3.833 . 0 0 "[ . 1]" 1
519 1 19 LYS H 1 21 ILE H 3.804 . 5.613 4.398 4.297 4.580 . 0 0 "[ . 1]" 1
520 1 19 LYS HA 1 19 LYS HB2 2.580 . 3.412 2.474 2.445 2.518 . 0 0 "[ . 1]" 1
521 1 19 LYS HA 1 19 LYS HB3 2.601 . 3.447 3.024 3.021 3.028 . 0 0 "[ . 1]" 1
522 1 19 LYS HA 1 19 LYS QD 3.264 . 4.596 3.565 2.034 4.233 . 0 0 "[ . 1]" 1
523 1 19 LYS HA 1 19 LYS QE 3.970 . 5.940 4.485 4.041 4.909 . 0 0 "[ . 1]" 1
524 1 19 LYS HA 1 19 LYS HG2 2.724 . 3.651 3.192 2.444 3.816 0.165 4 0 "[ . 1]" 1
525 1 19 LYS HA 1 19 LYS HG3 2.867 . 3.894 2.782 2.492 3.657 . 0 0 "[ . 1]" 1
526 1 19 LYS HA 1 20 VAL H 2.821 . 3.816 3.519 3.496 3.549 . 0 0 "[ . 1]" 1
527 1 19 LYS HA 1 21 ILE H 3.882 . 5.766 5.248 5.072 5.381 . 0 0 "[ . 1]" 1
528 1 19 LYS HA 1 22 GLY H 4.142 . 6.287 4.570 4.234 4.962 . 0 0 "[ . 1]" 1
529 1 19 LYS HB2 1 19 LYS HG2 2.637 . 3.506 2.853 2.425 3.011 . 0 0 "[ . 1]" 1
530 1 19 LYS HB3 1 19 LYS HG2 2.703 . 3.616 2.397 2.332 2.716 . 0 0 "[ . 1]" 1
531 1 19 LYS HB3 1 19 LYS HG3 2.679 . 3.576 2.855 2.437 3.012 . 0 0 "[ . 1]" 1
532 1 19 LYS HB3 1 20 VAL H 2.755 . 3.703 2.679 2.507 2.818 . 0 0 "[ . 1]" 1
533 1 19 LYS QD 1 19 LYS HG2 2.161 . 2.745 2.326 2.176 2.367 . 0 0 "[ . 1]" 1
534 1 19 LYS QD 1 19 LYS HG3 1.862 . 2.295 2.317 2.173 2.371 0.076 7 0 "[ . 1]" 1
535 1 19 LYS QD 1 20 VAL H 4.183 . 6.370 4.652 3.318 5.188 . 0 0 "[ . 1]" 1
536 1 19 LYS QE 1 19 LYS HG3 3.830 . 5.663 2.704 2.378 3.312 . 0 0 "[ . 1]" 1
537 1 19 LYS HG3 1 20 VAL H 3.890 . 5.781 4.642 3.733 4.913 . 0 0 "[ . 1]" 1
538 1 20 VAL H 1 20 VAL HB 2.293 . 2.950 2.554 2.526 2.602 . 0 0 "[ . 1]" 1
539 1 20 VAL H 1 20 VAL MG1 2.839 . 3.846 3.780 3.774 3.789 . 0 0 "[ . 1]" 1
540 1 20 VAL H 1 20 VAL MG2 2.188 . 2.786 2.102 2.002 2.214 . 0 0 "[ . 1]" 1
541 1 20 VAL H 1 21 ILE H 2.489 . 3.263 2.862 2.731 2.925 . 0 0 "[ . 1]" 1
542 1 20 VAL H 1 21 ILE HG12 4.147 . 6.296 4.531 4.379 4.608 . 0 0 "[ . 1]" 1
543 1 20 VAL H 1 21 ILE MG 4.066 . 6.133 4.853 4.670 5.010 . 0 0 "[ . 1]" 1
544 1 20 VAL H 1 22 GLY H 3.428 . 4.897 3.711 3.412 4.038 . 0 0 "[ . 1]" 1
545 1 20 VAL HA 1 20 VAL MG1 2.350 . 3.041 2.394 2.366 2.410 . 0 0 "[ . 1]" 1
546 1 20 VAL HA 1 20 VAL MG2 2.283 . 2.934 2.397 2.385 2.437 . 0 0 "[ . 1]" 1
547 1 20 VAL HA 1 21 ILE H 2.959 . 4.054 3.587 3.579 3.596 . 0 0 "[ . 1]" 1
548 1 20 VAL HB 1 20 VAL MG1 2.394 . 3.110 2.130 2.128 2.132 . 0 0 "[ . 1]" 1
549 1 20 VAL HB 1 21 ILE H 2.546 . 3.356 2.165 2.084 2.260 . 0 0 "[ . 1]" 1
550 1 20 VAL HB 1 21 ILE HG12 3.757 . 5.521 3.182 2.910 3.387 . 0 0 "[ . 1]" 1
551 1 20 VAL HB 1 21 ILE MG 3.242 . 4.555 2.965 2.789 3.120 . 0 0 "[ . 1]" 1
552 1 20 VAL HB 1 22 GLY H 4.120 . 6.242 4.180 4.036 4.297 . 0 0 "[ . 1]" 1
553 1 20 VAL MG1 1 21 ILE H 3.030 . 4.178 3.035 2.920 3.141 . 0 0 "[ . 1]" 1
554 1 20 VAL MG1 1 21 ILE HA 2.390 . 3.104 2.305 2.277 2.338 . 0 0 "[ . 1]" 1
555 1 20 VAL MG2 1 21 ILE H 3.077 . 4.260 3.670 3.604 3.721 . 0 0 "[ . 1]" 1
556 1 20 VAL MG2 1 35 CYS H 4.144 . 6.290 5.031 4.775 5.652 . 0 0 "[ . 1]" 1
557 1 21 ILE H 1 21 ILE HA 2.904 . 3.958 2.934 2.921 2.945 . 0 0 "[ . 1]" 1
558 1 21 ILE H 1 21 ILE HB 2.849 . 3.864 3.719 3.694 3.759 . 0 0 "[ . 1]" 1
559 1 21 ILE H 1 21 ILE MD 3.290 . 4.643 3.762 3.706 3.868 . 0 0 "[ . 1]" 1
560 1 21 ILE H 1 21 ILE HG12 2.582 . 3.415 2.096 2.012 2.246 . 0 0 "[ . 1]" 1
561 1 21 ILE H 1 21 ILE HG13 2.847 . 3.860 2.862 2.801 2.924 . 0 0 "[ . 1]" 1
562 1 21 ILE H 1 21 ILE MG 2.761 . 3.714 2.710 2.637 2.915 . 0 0 "[ . 1]" 1
563 1 21 ILE H 1 22 GLY H 2.266 . 2.908 2.155 2.054 2.215 . 0 0 "[ . 1]" 1
564 1 21 ILE H 1 22 GLY HA3 3.859 . 5.720 4.871 4.788 4.927 . 0 0 "[ . 1]" 1
565 1 21 ILE H 1 23 VAL H 3.299 . 4.660 3.904 3.440 4.357 . 0 0 "[ . 1]" 1
566 1 21 ILE HA 1 21 ILE HB 2.560 . 3.379 2.475 2.433 2.515 . 0 0 "[ . 1]" 1
567 1 21 ILE HA 1 21 ILE HG12 3.802 . 5.609 3.744 3.680 3.804 . 0 0 "[ . 1]" 1
568 1 21 ILE HA 1 21 ILE HG13 3.826 . 5.656 3.705 3.657 3.754 . 0 0 "[ . 1]" 1
569 1 21 ILE HA 1 21 ILE MG 2.358 . 3.053 2.302 2.259 2.352 . 0 0 "[ . 1]" 1
570 1 21 ILE HA 1 22 GLY H 3.064 . 4.237 3.447 3.330 3.536 . 0 0 "[ . 1]" 1
571 1 21 ILE HA 1 22 GLY HA2 3.692 . 5.396 4.975 4.890 5.084 . 0 0 "[ . 1]" 1
572 1 21 ILE HB 1 21 ILE MD 2.569 . 3.394 2.398 2.353 2.428 . 0 0 "[ . 1]" 1
573 1 21 ILE HB 1 21 ILE HG13 2.794 . 3.770 2.498 2.463 2.541 . 0 0 "[ . 1]" 1
574 1 21 ILE HB 1 21 ILE MG 2.400 . 3.120 2.126 2.124 2.128 . 0 0 "[ . 1]" 1
575 1 21 ILE HB 1 22 GLY H 3.550 . 5.125 3.981 3.723 4.243 . 0 0 "[ . 1]" 1
576 1 21 ILE HB 1 23 VAL H 3.515 . 5.060 3.844 3.618 4.123 . 0 0 "[ . 1]" 1
577 1 21 ILE MD 1 21 ILE HG12 2.284 . 2.936 2.118 2.116 2.120 . 0 0 "[ . 1]" 1
578 1 21 ILE MD 1 21 ILE HG13 2.292 . 2.948 2.119 2.117 2.121 . 0 0 "[ . 1]" 1
579 1 21 ILE MD 1 22 GLY H 4.301 . 6.613 4.173 3.912 4.514 . 0 0 "[ . 1]" 1
580 1 21 ILE MD 1 23 VAL H 3.493 . 5.018 3.236 2.904 3.465 . 0 0 "[ . 1]" 1
581 1 21 ILE MD 1 23 VAL HB 2.718 . 3.641 2.175 1.987 2.388 . 0 0 "[ . 1]" 1
582 1 21 ILE MD 1 25 ALA H 3.810 . 5.625 4.091 3.545 4.678 . 0 0 "[ . 1]" 1
583 1 21 ILE MD 1 35 CYS HA 3.575 . 5.173 3.756 3.534 3.962 . 0 0 "[ . 1]" 1
584 1 21 ILE MD 1 35 CYS HB2 4.460 . 6.947 2.873 2.648 3.152 . 0 0 "[ . 1]" 1
585 1 21 ILE MD 1 35 CYS HB3 3.665 . 5.344 1.969 1.952 1.985 0.034 8 0 "[ . 1]" 1
586 1 21 ILE MD 1 36 TYR H 3.078 . 4.262 3.230 2.873 3.648 . 0 0 "[ . 1]" 1
587 1 21 ILE MD 1 36 TYR HB2 4.679 . 7.416 4.936 4.435 5.466 . 0 0 "[ . 1]" 1
588 1 21 ILE MD 1 37 PRO HA 2.529 . 3.329 2.655 2.160 3.276 . 0 0 "[ . 1]" 1
589 1 21 ILE MD 1 37 PRO HB2 3.266 . 4.600 3.801 3.571 4.149 . 0 0 "[ . 1]" 1
590 1 21 ILE MD 1 37 PRO HD3 3.050 . 4.213 3.070 2.672 3.358 . 0 0 "[ . 1]" 1
591 1 21 ILE HG12 1 21 ILE MG 2.931 . 4.005 2.356 2.301 2.405 . 0 0 "[ . 1]" 1
592 1 21 ILE HG12 1 22 GLY H 3.727 . 5.463 3.150 2.870 3.510 . 0 0 "[ . 1]" 1
593 1 21 ILE HG12 1 23 VAL H 3.269 . 4.605 3.410 3.090 3.795 . 0 0 "[ . 1]" 1
594 1 21 ILE HG12 1 23 VAL HB 4.147 . 6.297 4.398 3.822 4.927 . 0 0 "[ . 1]" 1
595 1 21 ILE HG12 1 35 CYS HB2 3.993 . 5.986 4.184 3.871 4.425 . 0 0 "[ . 1]" 1
596 1 21 ILE HG12 1 35 CYS HB3 5.234 . 8.659 3.019 2.673 3.393 . 0 0 "[ . 1]" 1
597 1 21 ILE HG13 1 21 ILE MG 3.024 . 4.167 3.200 3.189 3.207 . 0 0 "[ . 1]" 1
598 1 21 ILE HG13 1 22 GLY H 3.490 . 5.012 2.588 2.257 3.005 . 0 0 "[ . 1]" 1
599 1 21 ILE HG13 1 23 VAL H 2.472 . 3.236 1.877 1.681 2.112 0.027 8 0 "[ . 1]" 1
600 1 21 ILE HG13 1 23 VAL HA 3.987 . 5.974 4.563 4.316 4.847 . 0 0 "[ . 1]" 1
601 1 21 ILE HG13 1 23 VAL QG 2.906 . 3.961 2.304 1.929 2.682 . 0 0 "[ . 1]" 1
602 1 21 ILE HG13 1 35 CYS HB2 3.857 . 5.717 5.472 5.231 5.672 . 0 0 "[ . 1]" 1
603 1 21 ILE HG13 1 35 CYS HB3 6.321 . 11.315 4.101 3.938 4.218 . 0 0 "[ . 1]" 1
604 1 21 ILE MG 1 22 GLY H 3.562 . 5.148 4.111 4.025 4.210 . 0 0 "[ . 1]" 1
605 1 21 ILE MG 1 22 GLY HA3 3.925 . 5.850 3.559 3.490 3.644 . 0 0 "[ . 1]" 1
606 1 21 ILE MG 1 35 CYS HB2 3.860 . 5.722 3.504 2.963 4.147 . 0 0 "[ . 1]" 1
607 1 21 ILE MG 1 35 CYS HB3 4.435 . 6.894 3.416 2.839 4.064 . 0 0 "[ . 1]" 1
608 1 21 ILE MG 1 37 PRO HD3 3.435 . 4.910 4.479 3.940 4.922 0.012 9 0 "[ . 1]" 1
609 1 21 ILE MG 1 37 PRO HG3 3.278 . 4.621 3.785 2.325 4.387 . 0 0 "[ . 1]" 1
610 1 22 GLY H 1 22 GLY HA2 2.509 . 3.296 2.450 2.333 2.569 . 0 0 "[ . 1]" 1
611 1 22 GLY H 1 22 GLY HA3 2.666 . 3.554 2.941 2.903 2.960 . 0 0 "[ . 1]" 1
612 1 22 GLY H 1 23 VAL H 2.701 . 3.613 2.515 2.215 2.780 . 0 0 "[ . 1]" 1
613 1 22 GLY HA2 1 23 VAL H 3.106 . 4.312 3.386 3.158 3.546 . 0 0 "[ . 1]" 1
614 1 22 GLY HA2 1 23 VAL QG 3.871 . 5.744 4.364 4.221 4.454 . 0 0 "[ . 1]" 1
615 1 22 GLY HA3 1 23 VAL H 3.195 . 4.471 3.083 2.848 3.375 . 0 0 "[ . 1]" 1
616 1 22 GLY HA3 1 23 VAL QG 3.577 . 5.176 3.601 3.529 3.697 . 0 0 "[ . 1]" 1
617 1 23 VAL H 1 23 VAL HA 2.582 . 3.416 2.912 2.864 2.948 . 0 0 "[ . 1]" 1
618 1 23 VAL H 1 23 VAL HB 2.906 . 3.962 3.192 2.818 3.675 . 0 0 "[ . 1]" 1
619 1 23 VAL H 1 23 VAL QG 2.709 . 3.626 2.113 1.890 2.448 0.004 3 0 "[ . 1]" 1
620 1 23 VAL H 1 24 ALA H 3.409 . 4.861 4.517 4.406 4.600 . 0 0 "[ . 1]" 1
621 1 23 VAL H 1 35 CYS HB3 3.980 . 5.961 5.546 5.286 5.708 . 0 0 "[ . 1]" 1
622 1 23 VAL HA 1 23 VAL HB 2.600 . 3.445 2.759 2.399 2.993 . 0 0 "[ . 1]" 1
623 1 23 VAL HA 1 23 VAL QG 2.589 . 3.186 2.198 2.085 2.344 . 0 0 "[ . 1]" 1
624 1 23 VAL HA 1 23 VAL QG 2.591 . 3.430 2.040 1.956 2.173 . 0 0 "[ . 1]" 1
625 1 23 VAL HA 1 24 ALA H 1.925 . 2.388 2.252 2.224 2.287 . 0 0 "[ . 1]" 1
626 1 23 VAL HA 1 24 ALA MB 3.351 . 4.754 3.927 3.899 3.967 . 0 0 "[ . 1]" 1
627 1 23 VAL HA 1 25 ALA H 3.926 . 5.853 4.126 3.940 4.314 . 0 0 "[ . 1]" 1
628 1 23 VAL HB 1 24 ALA H 2.560 . 3.379 3.228 2.721 3.599 0.220 7 0 "[ . 1]" 1
629 1 23 VAL HB 1 25 ALA H 3.194 . 4.469 2.905 2.741 3.165 . 0 0 "[ . 1]" 1
630 1 23 VAL HB 1 26 GLY H 4.268 . 6.545 6.558 6.464 6.653 0.108 1 0 "[ . 1]" 1
631 1 23 VAL HB 1 35 CYS HA 4.166 . 6.335 5.457 5.218 5.698 . 0 0 "[ . 1]" 1
632 1 23 VAL HB 1 35 CYS HB3 4.791 . 7.660 4.523 4.225 4.819 . 0 0 "[ . 1]" 1
633 1 23 VAL HB 1 36 TYR H 4.500 . 7.031 4.775 4.391 5.215 . 0 0 "[ . 1]" 1
634 1 23 VAL QG 1 24 ALA H 2.972 . 3.503 2.579 2.057 3.306 . 0 0 "[ . 1]" 1
635 1 23 VAL QG 1 25 ALA H 3.023 . 4.165 2.431 1.918 3.088 . 0 0 "[ . 1]" 1
636 1 23 VAL QG 1 25 ALA HA 3.869 . 5.741 4.339 4.171 4.561 . 0 0 "[ . 1]" 1
637 1 23 VAL QG 1 25 ALA MB 2.539 . 3.345 2.591 2.338 2.832 . 0 0 "[ . 1]" 1
638 1 23 VAL QG 1 26 GLY H 4.138 . 6.278 5.543 5.083 6.009 . 0 0 "[ . 1]" 1
639 1 23 VAL QG 1 36 TYR QD 4.178 . 6.360 4.954 4.572 5.258 . 0 0 "[ . 1]" 1
640 1 23 VAL QG 1 35 CYS HB3 3.930 . 5.860 4.332 3.291 5.068 . 0 0 "[ . 1]" 1
641 1 23 VAL QG 1 36 TYR H 3.779 . 5.564 4.067 3.063 4.815 . 0 0 "[ . 1]" 1
642 1 23 VAL QG 1 36 TYR HB2 4.988 . 8.098 4.511 3.846 5.064 . 0 0 "[ . 1]" 1
643 1 23 VAL QG 1 37 PRO HA 2.821 . 3.816 2.211 1.914 2.671 . 0 0 "[ . 1]" 1
644 1 24 ALA H 1 24 ALA HA 2.444 . 3.190 2.920 2.912 2.931 . 0 0 "[ . 1]" 1
645 1 24 ALA H 1 24 ALA MB 2.052 . 2.578 2.334 2.308 2.363 . 0 0 "[ . 1]" 1
646 1 24 ALA H 1 25 ALA H 2.667 . 3.556 3.002 2.752 3.226 . 0 0 "[ . 1]" 1
647 1 24 ALA H 1 25 ALA MB 3.436 . 4.911 4.044 4.005 4.120 . 0 0 "[ . 1]" 1
648 1 24 ALA HA 1 24 ALA MB 2.060 . 2.591 2.130 2.125 2.133 . 0 0 "[ . 1]" 1
649 1 24 ALA HA 1 25 ALA H 2.478 . 3.246 2.779 2.676 2.956 . 0 0 "[ . 1]" 1
650 1 24 ALA HA 1 36 TYR H 4.227 . 6.460 6.542 6.478 6.585 0.125 9 0 "[ . 1]" 1
651 1 24 ALA MB 1 25 ALA H 2.991 . 4.109 3.658 3.593 3.698 . 0 0 "[ . 1]" 1
652 1 24 ALA MB 1 25 ALA HA 3.630 . 5.278 4.213 4.178 4.230 . 0 0 "[ . 1]" 1
653 1 24 ALA MB 1 26 GLY H 3.832 . 5.668 5.237 5.137 5.419 . 0 0 "[ . 1]" 1
654 1 25 ALA H 1 25 ALA HA 2.733 . 3.667 2.939 2.935 2.944 . 0 0 "[ . 1]" 1
655 1 25 ALA H 1 25 ALA MB 2.370 . 3.072 2.441 2.380 2.532 . 0 0 "[ . 1]" 1
656 1 25 ALA H 1 26 GLY H 3.465 . 4.966 4.169 4.070 4.334 . 0 0 "[ . 1]" 1
657 1 25 ALA H 1 26 GLY HA3 4.131 . 6.265 4.590 4.525 4.665 . 0 0 "[ . 1]" 1
658 1 25 ALA H 1 36 TYR H 3.846 . 5.695 4.174 4.067 4.334 . 0 0 "[ . 1]" 1
659 1 25 ALA H 1 36 TYR HB2 4.696 . 7.452 4.871 4.772 4.999 . 0 0 "[ . 1]" 1
660 1 25 ALA HA 1 25 ALA MB 2.048 . 2.572 2.127 2.124 2.130 . 0 0 "[ . 1]" 1
661 1 25 ALA HA 1 26 GLY H 1.932 . 2.398 2.122 2.104 2.139 . 0 0 "[ . 1]" 1
662 1 25 ALA HA 1 36 TYR QD 3.993 . 5.986 4.925 3.438 5.439 . 0 0 "[ . 1]" 1
663 1 25 ALA MB 1 26 GLY H 2.478 . 3.246 3.305 3.184 3.354 0.108 9 0 "[ . 1]" 1
664 1 25 ALA MB 1 35 CYS HA 3.793 . 5.591 4.442 4.200 4.701 . 0 0 "[ . 1]" 1
665 1 25 ALA MB 1 36 TYR H 2.933 . 4.008 2.844 2.612 3.102 . 0 0 "[ . 1]" 1
666 1 25 ALA MB 1 36 TYR HA 3.859 . 5.720 4.223 4.126 4.375 . 0 0 "[ . 1]" 1
667 1 25 ALA MB 1 36 TYR HB2 2.513 . 3.303 2.048 1.879 2.250 . 0 0 "[ . 1]" 1
668 1 25 ALA MB 1 36 TYR HB3 4.059 . 6.119 3.104 2.992 3.277 . 0 0 "[ . 1]" 1
669 1 25 ALA MB 1 36 TYR QD 2.831 . 3.833 3.434 2.133 3.912 0.079 8 0 "[ . 1]" 1
670 1 26 GLY H 1 26 GLY HA2 2.645 . 3.520 2.864 2.838 2.890 . 0 0 "[ . 1]" 1
671 1 26 GLY H 1 26 GLY HA3 2.533 . 3.335 2.732 2.694 2.768 . 0 0 "[ . 1]" 1
672 1 26 GLY H 1 27 LYS H 3.548 . 5.122 4.131 4.021 4.338 . 0 0 "[ . 1]" 1
673 1 26 GLY H 1 27 LYS QB 3.754 . 5.515 5.243 4.537 5.449 . 0 0 "[ . 1]" 1
674 1 26 GLY H 1 35 CYS HA 3.727 . 5.464 4.842 4.713 4.964 . 0 0 "[ . 1]" 1
675 1 26 GLY H 1 36 TYR QD 3.454 . 4.945 4.271 3.387 4.749 . 0 0 "[ . 1]" 1
676 1 26 GLY H 1 36 TYR QE 4.244 . 6.495 5.628 3.891 6.126 . 0 0 "[ . 1]" 1
677 1 26 GLY HA2 1 27 LYS H 2.333 . 3.013 2.171 2.121 2.345 . 0 0 "[ . 1]" 1
678 1 26 GLY HA2 1 35 CYS HA 2.507 . 3.293 2.482 2.228 2.673 . 0 0 "[ . 1]" 1
679 1 26 GLY HA2 1 36 TYR H 3.116 . 4.329 3.253 2.895 3.548 . 0 0 "[ . 1]" 1
680 1 26 GLY HA2 1 36 TYR QD 2.659 . 3.543 2.739 2.216 3.401 . 0 0 "[ . 1]" 1
681 1 26 GLY HA2 1 36 TYR QE 3.310 . 4.679 4.022 3.443 4.261 . 0 0 "[ . 1]" 1
682 1 26 GLY HA3 1 27 LYS H 2.485 . 3.257 3.085 2.754 3.223 . 0 0 "[ . 1]" 1
683 1 26 GLY HA3 1 34 VAL H 4.252 . 6.512 4.847 4.412 5.110 . 0 0 "[ . 1]" 1
684 1 26 GLY HA3 1 35 CYS HA 2.678 . 3.574 3.181 2.993 3.365 . 0 0 "[ . 1]" 1
685 1 26 GLY HA3 1 35 CYS HB3 4.482 . 6.993 4.610 4.462 4.716 . 0 0 "[ . 1]" 1
686 1 26 GLY HA3 1 36 TYR H 3.465 . 4.966 3.977 3.762 4.181 . 0 0 "[ . 1]" 1
687 1 26 GLY HA3 1 36 TYR QD 3.276 . 4.618 4.403 3.939 4.690 0.072 1 0 "[ . 1]" 1
688 1 26 GLY HA3 1 36 TYR QE 3.928 . 5.857 5.602 4.856 5.860 0.003 6 0 "[ . 1]" 1
689 1 27 LYS H 1 27 LYS HA 2.694 . 3.601 2.946 2.929 2.952 . 0 0 "[ . 1]" 1
690 1 27 LYS H 1 27 LYS QB 2.467 . 3.228 2.539 2.388 2.714 . 0 0 "[ . 1]" 1
691 1 27 LYS H 1 27 LYS QG 3.112 . 4.323 3.033 2.720 4.039 . 0 0 "[ . 1]" 1
692 1 27 LYS H 1 28 CYS H 3.771 . 5.549 4.175 4.131 4.224 . 0 0 "[ . 1]" 1
693 1 27 LYS H 1 29 ILE MD 3.819 . 5.642 5.034 3.760 5.428 . 0 0 "[ . 1]" 1
694 1 27 LYS H 1 33 CYS HA 3.668 . 5.349 4.492 4.287 4.801 . 0 0 "[ . 1]" 1
695 1 27 LYS H 1 33 CYS HB3 4.121 . 6.244 5.601 4.563 6.833 0.589 8 3 "[ -* + 1]" 1
696 1 27 LYS H 1 34 VAL HA 4.267 . 6.543 4.707 4.638 4.887 . 0 0 "[ . 1]" 1
697 1 27 LYS H 1 34 VAL QG 3.350 . 4.753 2.040 1.903 2.339 0.071 3 0 "[ . 1]" 1
698 1 27 LYS H 1 35 CYS HA 3.207 . 4.492 3.987 3.693 4.159 . 0 0 "[ . 1]" 1
699 1 27 LYS H 1 36 TYR H 4.240 . 6.487 5.081 4.755 5.423 . 0 0 "[ . 1]" 1
700 1 27 LYS H 1 36 TYR QD 3.384 . 4.815 3.447 2.861 4.469 . 0 0 "[ . 1]" 1
701 1 27 LYS H 1 36 TYR QE 3.023 . 4.165 3.266 2.975 3.668 . 0 0 "[ . 1]" 1
702 1 27 LYS HA 1 27 LYS QB 2.452 . 3.204 2.383 2.361 2.420 . 0 0 "[ . 1]" 1
703 1 27 LYS HA 1 27 LYS QG 2.856 . 3.876 2.416 2.382 2.450 . 0 0 "[ . 1]" 1
704 1 27 LYS HA 1 28 CYS H 1.959 . 2.439 2.447 2.334 2.533 0.094 6 0 "[ . 1]" 1
705 1 27 LYS HA 1 28 CYS HB3 5.204 . 8.589 4.758 4.588 4.936 . 0 0 "[ . 1]" 1
706 1 27 LYS HA 1 34 VAL H 4.030 . 6.060 4.846 4.702 5.053 . 0 0 "[ . 1]" 1
707 1 27 LYS HA 1 36 TYR QE 4.000 . 6.000 5.091 4.378 5.692 . 0 0 "[ . 1]" 1
708 1 27 LYS QB 1 27 LYS QE 4.004 . 6.008 2.155 1.963 3.509 0.037 7 0 "[ . 1]" 1
709 1 27 LYS QB 1 27 LYS QG 2.031 . 2.547 2.085 2.081 2.088 . 0 0 "[ . 1]" 1
710 1 27 LYS QB 1 28 CYS H 2.520 . 3.314 2.348 2.073 3.367 0.053 7 0 "[ . 1]" 1
711 1 27 LYS QB 1 28 CYS HA 3.872 . 5.746 3.926 3.830 4.173 . 0 0 "[ . 1]" 1
712 1 27 LYS QB 1 28 CYS HB2 3.990 . 5.980 4.709 4.570 5.205 . 0 0 "[ . 1]" 1
713 1 27 LYS QB 1 28 CYS HB3 5.346 . 8.919 4.047 3.906 4.237 . 0 0 "[ . 1]" 1
714 1 27 LYS QB 1 34 VAL H 3.458 . 4.953 3.752 3.518 4.093 . 0 0 "[ . 1]" 1
715 1 27 LYS QB 1 34 VAL QG 2.520 . 3.314 2.041 1.849 2.577 . 0 0 "[ . 1]" 1
716 1 27 LYS QB 1 36 TYR QD 3.311 . 4.681 4.222 3.385 4.713 0.032 1 0 "[ . 1]" 1
717 1 27 LYS QB 1 36 TYR QE 2.406 . 3.130 2.698 2.073 3.141 0.011 6 0 "[ . 1]" 1
718 1 27 LYS HB2 1 33 CYS HA 4.332 . 6.678 4.635 4.534 4.755 . 0 0 "[ . 1]" 1
719 1 27 LYS QD 1 28 CYS H 4.198 . 6.401 4.667 4.056 5.099 . 0 0 "[ . 1]" 1
720 1 27 LYS QD 1 29 ILE MD 3.592 . 5.205 4.336 3.386 5.231 0.026 6 0 "[ . 1]" 1
721 1 27 LYS QD 1 36 TYR QD 4.343 . 6.701 4.428 3.693 5.280 . 0 0 "[ . 1]" 1
722 1 27 LYS QD 1 36 TYR QE 3.351 . 4.755 3.069 2.127 4.254 . 0 0 "[ . 1]" 1
723 1 27 LYS QE 1 27 LYS QG 3.104 . 4.308 2.388 2.114 2.800 . 0 0 "[ . 1]" 1
724 1 27 LYS QE 1 29 ILE MD 3.589 . 5.199 3.933 2.383 5.194 . 0 0 "[ . 1]" 1
725 1 27 LYS QE 1 29 ILE HG12 4.093 . 6.187 4.515 2.492 6.297 0.110 9 0 "[ . 1]" 1
726 1 27 LYS QE 1 36 TYR QE 3.939 . 5.879 3.667 2.270 4.701 . 0 0 "[ . 1]" 1
727 1 27 LYS QG 1 28 CYS H 2.788 . 3.760 3.584 2.070 3.853 0.093 4 0 "[ . 1]" 1
728 1 27 LYS QG 1 34 VAL H 4.925 . 7.957 5.342 4.715 5.764 . 0 0 "[ . 1]" 1
729 1 27 LYS QG 1 36 TYR QE 2.901 . 3.953 3.121 1.990 4.076 0.123 7 0 "[ . 1]" 1
730 1 28 CYS H 1 28 CYS HA 2.893 . 3.940 2.937 2.923 2.947 . 0 0 "[ . 1]" 1
731 1 28 CYS H 1 28 CYS HB2 2.337 . 3.019 2.851 2.766 2.946 . 0 0 "[ . 1]" 1
732 1 28 CYS H 1 28 CYS HB3 2.359 . 3.055 2.587 2.458 2.706 . 0 0 "[ . 1]" 1
733 1 28 CYS H 1 29 ILE MD 3.697 . 5.405 4.952 3.140 5.245 . 0 0 "[ . 1]" 1
734 1 28 CYS H 1 29 ILE HG13 4.113 . 6.228 4.460 4.174 5.735 . 0 0 "[ . 1]" 1
735 1 28 CYS H 1 33 CYS HA 4.298 . 6.608 4.842 4.629 5.012 . 0 0 "[ . 1]" 1
736 1 28 CYS H 1 34 VAL QG 3.361 . 4.773 2.813 2.692 2.970 . 0 0 "[ . 1]" 1
737 1 28 CYS HA 1 28 CYS HB2 2.934 . 4.010 2.490 2.426 2.547 . 0 0 "[ . 1]" 1
738 1 28 CYS HA 1 29 ILE H 2.314 . 2.983 2.156 2.117 2.235 . 0 0 "[ . 1]" 1
739 1 28 CYS HA 1 32 ARG H 3.525 . 5.078 4.187 3.635 4.820 . 0 0 "[ . 1]" 1
740 1 28 CYS HA 1 33 CYS HA 2.905 . 3.960 3.040 2.588 3.328 . 0 0 "[ . 1]" 1
741 1 28 CYS HA 1 33 CYS HB2 4.597 . 7.238 5.607 4.812 6.151 . 0 0 "[ . 1]" 1
742 1 28 CYS HA 1 33 CYS HB3 4.842 . 7.773 5.519 4.514 5.987 . 0 0 "[ . 1]" 1
743 1 28 CYS HA 1 34 VAL H 3.335 . 4.726 3.716 3.379 4.008 . 0 0 "[ . 1]" 1
744 1 28 CYS HB3 1 31 GLY H 3.679 . 5.371 3.936 3.846 4.107 . 0 0 "[ . 1]" 1
745 1 28 CYS HB3 1 32 ARG H 3.899 . 5.799 3.774 3.538 4.075 . 0 0 "[ . 1]" 1
746 1 28 CYS HB3 1 33 CYS HA 4.137 . 6.277 5.348 5.247 5.487 . 0 0 "[ . 1]" 1
747 1 29 ILE H 1 29 ILE HB 2.596 . 3.439 2.594 2.396 2.771 . 0 0 "[ . 1]" 1
748 1 29 ILE H 1 29 ILE MD 3.165 . 4.417 3.404 2.574 3.576 . 0 0 "[ . 1]" 1
749 1 29 ILE H 1 29 ILE HG12 3.330 . 4.716 3.981 3.758 4.312 . 0 0 "[ . 1]" 1
750 1 29 ILE H 1 29 ILE HG13 3.069 . 4.247 2.977 2.631 4.194 . 0 0 "[ . 1]" 1
751 1 29 ILE H 1 30 ASN H 4.016 . 6.032 4.123 3.954 4.335 . 0 0 "[ . 1]" 1
752 1 29 ILE H 1 31 GLY H 3.611 . 5.241 3.941 3.734 4.198 . 0 0 "[ . 1]" 1
753 1 29 ILE H 1 32 ARG H 2.878 . 3.913 3.024 2.596 3.299 . 0 0 "[ . 1]" 1
754 1 29 ILE H 1 32 ARG QB 4.234 . 6.475 3.595 3.279 4.032 . 0 0 "[ . 1]" 1
755 1 29 ILE H 1 33 CYS HA 3.291 . 4.645 3.644 3.193 3.782 . 0 0 "[ . 1]" 1
756 1 29 ILE H 1 34 VAL HB 4.197 . 6.399 4.673 4.245 5.301 . 0 0 "[ . 1]" 1
757 1 29 ILE H 1 34 VAL QG 3.225 . 4.525 3.383 2.951 3.781 . 0 0 "[ . 1]" 1
758 1 29 ILE HA 1 29 ILE HB 2.814 . 3.804 3.020 3.000 3.025 . 0 0 "[ . 1]" 1
759 1 29 ILE HA 1 29 ILE HG12 2.590 . 3.429 2.632 2.436 3.619 0.190 1 0 "[ . 1]" 1
760 1 29 ILE HA 1 29 ILE HG13 2.874 . 3.907 2.969 2.396 3.116 . 0 0 "[ . 1]" 1
761 1 29 ILE HA 1 29 ILE MG 2.564 . 3.386 2.431 2.342 2.618 . 0 0 "[ . 1]" 1
762 1 29 ILE HA 1 30 ASN H 1.731 . 2.105 1.960 1.946 1.975 . 0 0 "[ . 1]" 1
763 1 29 ILE HA 1 30 ASN HD21 3.701 . 5.414 4.064 2.248 4.306 . 0 0 "[ . 1]" 1
764 1 29 ILE HA 1 31 GLY HA3 5.387 . 9.015 4.288 4.263 4.316 . 0 0 "[ . 1]" 1
765 1 29 ILE HA 1 32 ARG H 4.403 . 6.826 3.893 3.847 4.012 . 0 0 "[ . 1]" 1
766 1 29 ILE HB 1 29 ILE MD 2.212 . 2.824 2.000 1.993 2.005 . 0 0 "[ . 1]" 1
767 1 29 ILE HB 1 29 ILE HG13 2.756 . 3.705 2.523 2.448 3.028 . 0 0 "[ . 1]" 1
768 1 29 ILE HB 1 30 ASN H 3.353 . 4.758 4.397 4.350 4.424 . 0 0 "[ . 1]" 1
769 1 29 ILE HB 1 32 ARG H 4.083 . 6.167 4.088 3.935 4.430 . 0 0 "[ . 1]" 1
770 1 29 ILE HB 1 32 ARG HD2 4.640 . 7.331 6.758 5.971 7.356 0.025 5 0 "[ . 1]" 1
771 1 29 ILE MD 1 29 ILE HG12 2.025 . 2.538 1.982 1.951 1.995 . 0 0 "[ . 1]" 1
772 1 29 ILE MD 1 29 ILE HG13 2.279 . 2.928 2.120 2.116 2.123 . 0 0 "[ . 1]" 1
773 1 29 ILE MD 1 32 ARG H 3.895 . 5.791 4.191 3.959 4.368 . 0 0 "[ . 1]" 1
774 1 29 ILE MD 1 33 CYS H 3.839 . 5.682 5.763 5.703 5.840 0.158 9 0 "[ . 1]" 1
775 1 29 ILE MD 1 34 VAL H 3.913 . 5.827 4.295 3.707 4.754 . 0 0 "[ . 1]" 1
776 1 29 ILE MD 1 36 TYR QE 3.249 . 4.568 3.930 3.632 4.127 . 0 0 "[ . 1]" 1
777 1 29 ILE HG12 1 30 ASN H 3.456 . 4.949 4.654 4.368 5.300 0.351 1 0 "[ . 1]" 1
778 1 29 ILE HG12 1 36 TYR QE 4.683 . 7.424 5.753 5.125 6.068 . 0 0 "[ . 1]" 1
779 1 29 ILE HG13 1 30 ASN H 3.647 . 5.309 5.005 4.070 5.172 . 0 0 "[ . 1]" 1
780 1 29 ILE HG13 1 34 VAL H 3.979 . 5.958 4.340 3.732 6.445 0.487 1 0 "[ . 1]" 1
781 1 29 ILE MG 1 30 ASN H 2.413 . 3.141 3.125 2.906 3.202 0.061 10 0 "[ . 1]" 1
782 1 29 ILE MG 1 30 ASN HB2 3.111 . 4.321 2.776 2.558 3.006 . 0 0 "[ . 1]" 1
783 1 29 ILE MG 1 30 ASN HD21 2.884 . 3.923 2.888 2.734 3.097 . 0 0 "[ . 1]" 1
784 1 29 ILE MG 1 30 ASN HD22 2.756 . 3.706 3.304 3.080 3.846 0.140 9 0 "[ . 1]" 1
785 1 29 ILE MG 1 31 GLY H 3.756 . 5.519 4.782 4.499 4.942 . 0 0 "[ . 1]" 1
786 1 30 ASN H 1 30 ASN HB2 2.853 . 3.870 3.487 3.347 3.548 . 0 0 "[ . 1]" 1
787 1 30 ASN H 1 30 ASN HB3 3.051 . 4.214 4.028 4.001 4.107 . 0 0 "[ . 1]" 1
788 1 30 ASN H 1 30 ASN HD21 4.137 . 6.277 4.469 2.125 4.813 . 0 0 "[ . 1]" 1
789 1 30 ASN H 1 30 ASN HD22 4.048 . 6.096 4.697 3.838 4.848 . 0 0 "[ . 1]" 1
790 1 30 ASN H 1 31 GLY H 2.499 . 3.280 2.767 2.694 2.867 . 0 0 "[ . 1]" 1
791 1 30 ASN H 1 31 GLY HA3 4.008 . 6.016 5.361 5.309 5.430 . 0 0 "[ . 1]" 1
792 1 30 ASN H 1 32 ARG H 3.622 . 5.262 4.031 3.976 4.218 . 0 0 "[ . 1]" 1
793 1 30 ASN HA 1 30 ASN HB2 2.170 . 2.758 3.014 2.961 3.024 0.266 2 0 "[ . 1]" 1
794 1 30 ASN HA 1 30 ASN HD22 3.803 . 5.611 4.548 3.457 4.717 . 0 0 "[ . 1]" 1
795 1 30 ASN HA 1 31 GLY H 2.347 . 3.036 2.841 2.756 2.944 . 0 0 "[ . 1]" 1
796 1 30 ASN HA 1 31 GLY HA3 4.014 . 6.028 4.340 4.308 4.377 . 0 0 "[ . 1]" 1
797 1 30 ASN HB2 1 30 ASN HD21 2.979 . 4.088 2.291 2.202 2.910 . 0 0 "[ . 1]" 1
798 1 30 ASN HB3 1 30 ASN HD22 3.775 . 5.556 3.806 3.769 4.062 . 0 0 "[ . 1]" 1
799 1 30 ASN HB3 1 31 GLY H 3.426 . 4.893 4.424 4.349 4.450 . 0 0 "[ . 1]" 1
800 1 30 ASN HB3 1 32 ARG H 3.686 . 5.384 3.660 3.038 4.253 . 0 0 "[ . 1]" 1
801 1 30 ASN HD22 1 32 ARG QB 4.527 . 7.089 6.705 6.273 7.385 0.296 7 0 "[ . 1]" 1
802 1 31 GLY H 1 31 GLY HA2 2.672 . 3.564 2.328 2.308 2.360 . 0 0 "[ . 1]" 1
803 1 31 GLY H 1 31 GLY HA3 2.162 . 2.746 2.894 2.861 2.924 0.178 7 0 "[ . 1]" 1
804 1 31 GLY H 1 32 ARG H 2.598 . 3.442 2.500 2.379 2.725 . 0 0 "[ . 1]" 1
805 1 31 GLY H 1 32 ARG HA 4.177 . 6.358 5.105 5.042 5.176 . 0 0 "[ . 1]" 1
806 1 31 GLY H 1 32 ARG QB 3.780 . 5.566 4.714 4.573 5.016 . 0 0 "[ . 1]" 1
807 1 31 GLY HA2 1 32 ARG H 3.196 . 4.473 3.195 2.974 3.437 . 0 0 "[ . 1]" 1
808 1 31 GLY HA2 1 32 ARG HA 5.129 . 8.417 4.501 4.438 4.582 . 0 0 "[ . 1]" 1
809 1 31 GLY HA2 1 32 ARG HG3 5.377 . 8.991 6.456 6.130 6.747 . 0 0 "[ . 1]" 1
810 1 31 GLY HA3 1 32 ARG H 3.184 . 4.452 3.330 3.090 3.458 . 0 0 "[ . 1]" 1
811 1 31 GLY HA3 1 32 ARG HA 6.999 . 13.122 4.501 4.400 4.574 . 0 0 "[ . 1]" 1
812 1 32 ARG H 1 32 ARG QB 2.532 . 3.333 2.510 2.359 2.685 . 0 0 "[ . 1]" 1
813 1 32 ARG H 1 32 ARG HD2 3.813 . 5.631 4.270 2.790 5.301 . 0 0 "[ . 1]" 1
814 1 32 ARG H 1 32 ARG HG2 3.166 . 4.419 3.301 2.392 4.496 0.077 1 0 "[ . 1]" 1
815 1 32 ARG H 1 32 ARG HG3 3.207 . 4.493 4.120 3.821 4.255 . 0 0 "[ . 1]" 1
816 1 32 ARG HA 1 32 ARG QB 2.392 . 3.107 2.391 2.317 2.468 . 0 0 "[ . 1]" 1
817 1 32 ARG HA 1 32 ARG HD2 3.244 . 4.559 2.944 2.282 3.812 . 0 0 "[ . 1]" 1
818 1 32 ARG HA 1 32 ARG HD3 3.466 . 4.968 2.867 1.945 3.913 0.019 2 0 "[ . 1]" 1
819 1 32 ARG HA 1 32 ARG HG2 3.156 . 4.401 3.255 2.792 3.649 . 0 0 "[ . 1]" 1
820 1 32 ARG HA 1 32 ARG HG3 3.099 . 4.299 3.366 2.377 3.886 . 0 0 "[ . 1]" 1
821 1 32 ARG HA 1 33 CYS H 2.380 . 3.088 2.272 2.199 2.342 . 0 0 "[ . 1]" 1
822 1 32 ARG QB 1 32 ARG HD2 2.920 . 3.986 2.707 2.400 3.418 . 0 0 "[ . 1]" 1
823 1 32 ARG QB 1 32 ARG HD3 2.978 . 4.087 2.763 2.369 3.452 . 0 0 "[ . 1]" 1
824 1 32 ARG QB 1 32 ARG HE 3.709 . 5.429 3.776 2.179 4.237 . 0 0 "[ . 1]" 1
825 1 32 ARG QB 1 33 CYS H 2.059 . 2.589 2.452 2.294 2.617 0.028 6 0 "[ . 1]" 1
826 1 32 ARG QB 1 34 VAL QG 3.514 . 5.057 4.656 4.452 4.846 . 0 0 "[ . 1]" 1
827 1 32 ARG HD2 1 32 ARG HG2 2.961 . 4.057 2.921 2.544 3.017 . 0 0 "[ . 1]" 1
828 1 32 ARG HD2 1 32 ARG HG3 2.805 . 3.788 2.487 2.336 3.003 . 0 0 "[ . 1]" 1
829 1 32 ARG HD3 1 32 ARG HG2 2.973 . 4.078 2.495 2.339 3.001 . 0 0 "[ . 1]" 1
830 1 32 ARG HE 1 32 ARG HG2 3.570 . 5.163 2.749 2.483 3.639 . 0 0 "[ . 1]" 1
831 1 32 ARG HE 1 32 ARG HG3 3.720 . 5.449 2.720 2.370 3.663 . 0 0 "[ . 1]" 1
832 1 33 CYS H 1 33 CYS HB2 2.701 . 3.613 2.614 2.353 3.010 . 0 0 "[ . 1]" 1
833 1 33 CYS H 1 33 CYS HB3 3.111 . 4.321 3.266 2.329 3.742 . 0 0 "[ . 1]" 1
834 1 33 CYS H 1 34 VAL H 4.182 . 6.368 4.309 4.175 4.564 . 0 0 "[ . 1]" 1
835 1 33 CYS HA 1 33 CYS HB2 2.773 . 3.734 2.821 2.349 3.029 . 0 0 "[ . 1]" 1
836 1 33 CYS HA 1 33 CYS HB3 2.761 . 3.714 2.670 2.450 3.025 . 0 0 "[ . 1]" 1
837 1 33 CYS HA 1 34 VAL H 2.106 . 2.660 2.157 2.115 2.212 . 0 0 "[ . 1]" 1
838 1 33 CYS HA 1 34 VAL HB 3.921 . 5.843 4.770 4.630 4.936 . 0 0 "[ . 1]" 1
839 1 33 CYS HA 1 34 VAL QG 3.359 . 4.770 3.631 3.537 3.695 . 0 0 "[ . 1]" 1
840 1 33 CYS HB2 1 34 VAL H 3.623 . 5.263 4.292 3.919 4.516 . 0 0 "[ . 1]" 1
841 1 33 CYS HB3 1 34 VAL H 3.007 . 4.137 3.830 3.349 4.302 0.165 5 0 "[ . 1]" 1
842 1 33 CYS HB3 1 34 VAL HA 4.784 . 7.644 4.729 4.630 4.866 . 0 0 "[ . 1]" 1
843 1 33 CYS HB3 1 34 VAL QG 5.252 . 8.700 4.957 4.584 5.363 . 0 0 "[ . 1]" 1
844 1 34 VAL H 1 34 VAL HA 2.915 . 3.977 2.925 2.907 2.941 . 0 0 "[ . 1]" 1
845 1 34 VAL H 1 34 VAL HB 2.513 . 3.303 3.047 2.876 3.313 0.010 8 0 "[ . 1]" 1
846 1 34 VAL H 1 34 VAL QG 2.633 . 3.499 2.040 1.888 2.260 0.037 1 0 "[ . 1]" 1
847 1 34 VAL H 1 35 CYS H 3.933 . 5.866 4.259 4.115 4.387 . 0 0 "[ . 1]" 1
848 1 34 VAL H 1 35 CYS HA 4.499 . 7.029 4.906 4.558 5.059 . 0 0 "[ . 1]" 1
849 1 34 VAL H 1 36 TYR QE 4.880 . 7.857 4.877 4.474 5.287 . 0 0 "[ . 1]" 1
850 1 34 VAL HA 1 34 VAL HB 2.972 . 4.076 2.407 2.383 2.436 . 0 0 "[ . 1]" 1
851 1 34 VAL HA 1 34 VAL QG 2.442 . 3.188 2.346 2.318 2.378 . 0 0 "[ . 1]" 1
852 1 34 VAL HA 1 35 CYS H 2.278 . 2.927 2.103 2.086 2.114 . 0 0 "[ . 1]" 1
853 1 34 VAL HA 1 35 CYS HA 4.348 . 6.711 4.363 4.342 4.386 . 0 0 "[ . 1]" 1
854 1 34 VAL HA 1 35 CYS HB2 4.220 . 6.446 4.518 4.437 4.564 . 0 0 "[ . 1]" 1
855 1 34 VAL HA 1 36 TYR QE 4.636 . 7.323 5.064 4.988 5.215 . 0 0 "[ . 1]" 1
856 1 34 VAL HB 1 36 TYR QD 3.565 . 5.154 5.225 5.122 5.278 0.124 8 0 "[ . 1]" 1
857 1 34 VAL HB 1 36 TYR QE 3.039 . 4.193 4.280 4.222 4.368 0.175 1 0 "[ . 1]" 1
858 1 34 VAL MG1 1 34 VAL MG2 2.055 . 2.583 2.083 2.073 2.090 . 0 0 "[ . 1]" 1
859 1 34 VAL QG 1 35 CYS HA 3.682 . 5.377 3.674 3.552 3.738 . 0 0 "[ . 1]" 1
860 1 34 VAL QG 1 35 CYS HB2 3.961 . 5.923 4.451 4.330 4.576 . 0 0 "[ . 1]" 1
861 1 34 VAL QG 1 36 TYR H 4.552 . 7.143 4.316 4.241 4.401 . 0 0 "[ . 1]" 1
862 1 34 VAL QG 1 36 TYR HA 3.947 . 5.894 4.131 3.981 4.306 . 0 0 "[ . 1]" 1
863 1 34 VAL QG 1 36 TYR QD 3.234 . 4.541 2.815 2.692 2.917 . 0 0 "[ . 1]" 1
864 1 34 VAL QG 1 36 TYR QE 3.418 . 3.712 1.880 1.846 1.991 0.112 7 0 "[ . 1]" 1
865 1 35 CYS H 1 35 CYS HA 2.937 . 4.015 2.903 2.887 2.929 . 0 0 "[ . 1]" 1
866 1 35 CYS H 1 35 CYS HB2 2.693 . 3.599 2.447 2.401 2.505 . 0 0 "[ . 1]" 1
867 1 35 CYS H 1 35 CYS HB3 3.184 . 4.451 3.617 3.599 3.664 . 0 0 "[ . 1]" 1
868 1 35 CYS HA 1 35 CYS HB2 2.853 . 3.870 3.024 3.018 3.028 . 0 0 "[ . 1]" 1
869 1 35 CYS HA 1 35 CYS HB3 2.464 . 3.223 2.473 2.454 2.503 . 0 0 "[ . 1]" 1
870 1 35 CYS HA 1 36 TYR H 2.263 . 2.903 2.193 2.161 2.252 . 0 0 "[ . 1]" 1
871 1 35 CYS HA 1 36 TYR HA 4.369 . 6.755 4.381 4.374 4.390 . 0 0 "[ . 1]" 1
872 1 35 CYS HA 1 36 TYR HB2 3.733 . 5.475 4.377 4.278 4.631 . 0 0 "[ . 1]" 1
873 1 35 CYS HA 1 36 TYR QD 3.076 . 4.259 3.407 3.180 4.287 0.028 1 0 "[ . 1]" 1
874 1 35 CYS HA 1 36 TYR QE 3.872 . 5.746 4.987 4.899 5.090 . 0 0 "[ . 1]" 1
875 1 35 CYS HB2 1 36 TYR H 3.404 . 4.852 4.036 3.922 4.104 . 0 0 "[ . 1]" 1
876 1 35 CYS HB2 1 37 PRO HD3 4.155 . 6.313 3.787 3.079 4.377 . 0 0 "[ . 1]" 1
877 1 35 CYS HB3 1 36 TYR H 2.763 . 3.717 3.010 2.882 3.086 . 0 0 "[ . 1]" 1
878 1 35 CYS HB3 1 36 TYR HA 6.543 . 11.894 4.622 4.525 4.691 . 0 0 "[ . 1]" 1
879 1 36 TYR H 1 36 TYR HA 2.752 . 3.699 2.951 2.948 2.954 . 0 0 "[ . 1]" 1
880 1 36 TYR H 1 36 TYR HB2 2.593 . 3.433 2.511 2.458 2.695 . 0 0 "[ . 1]" 1
881 1 36 TYR H 1 36 TYR QD 2.891 . 3.936 2.909 2.764 3.443 . 0 0 "[ . 1]" 1
882 1 36 TYR H 1 36 TYR QE 4.123 . 6.248 5.049 4.952 5.195 . 0 0 "[ . 1]" 1
883 1 36 TYR H 1 37 PRO HD3 3.691 . 5.394 3.802 3.448 4.057 . 0 0 "[ . 1]" 1
884 1 36 TYR H 1 37 PRO HG3 4.349 . 6.713 5.651 4.887 6.139 . 0 0 "[ . 1]" 1
885 1 36 TYR HA 1 36 TYR HB2 2.861 . 3.884 3.013 3.004 3.020 . 0 0 "[ . 1]" 1
886 1 36 TYR HA 1 36 TYR QD 2.572 . 3.399 3.010 2.365 3.118 . 0 0 "[ . 1]" 1
887 1 36 TYR HA 1 36 TYR QE 3.889 . 5.779 4.622 4.564 4.663 . 0 0 "[ . 1]" 1
888 1 36 TYR HA 1 37 PRO HA 4.122 . 6.246 4.550 4.498 4.621 . 0 0 "[ . 1]" 1
889 1 36 TYR HA 1 37 PRO HB2 4.638 . 7.327 5.427 5.078 5.565 . 0 0 "[ . 1]" 1
890 1 36 TYR HA 1 37 PRO HD2 2.385 . 3.096 2.291 1.985 2.629 . 0 0 "[ . 1]" 1
891 1 36 TYR HA 1 37 PRO HD3 2.457 . 3.212 2.313 1.984 2.811 . 0 0 "[ . 1]" 1
892 1 36 TYR HA 1 37 PRO HG2 3.685 . 5.382 4.363 4.163 4.512 . 0 0 "[ . 1]" 1
893 1 36 TYR HA 1 37 PRO HG3 3.872 . 5.746 4.376 4.180 4.646 . 0 0 "[ . 1]" 1
894 1 36 TYR HB2 1 36 TYR QD 2.380 . 3.088 2.484 2.271 2.608 . 0 0 "[ . 1]" 1
895 1 36 TYR HB2 1 37 PRO HD2 3.804 . 5.613 5.000 4.783 5.316 . 0 0 "[ . 1]" 1
896 1 36 TYR HB2 1 37 PRO HD3 4.561 . 7.161 4.900 4.702 5.131 . 0 0 "[ . 1]" 1
897 1 36 TYR HB3 1 36 TYR QD 2.306 . 2.971 2.354 2.272 2.685 . 0 0 "[ . 1]" 1
898 1 36 TYR HB3 1 37 PRO HD2 3.393 . 4.832 4.087 3.788 4.416 . 0 0 "[ . 1]" 1
899 1 36 TYR HB3 1 37 PRO HD3 4.294 . 6.599 4.592 4.238 4.968 . 0 0 "[ . 1]" 1
900 1 36 TYR QD 1 37 PRO HD2 3.422 . 4.885 4.367 3.968 4.861 . 0 0 "[ . 1]" 1
901 1 36 TYR QD 1 37 PRO HD3 3.707 . 5.425 4.819 4.571 5.169 . 0 0 "[ . 1]" 1
902 1 36 TYR QE 1 37 PRO HD2 4.962 . 8.039 6.017 5.654 6.384 . 0 0 "[ . 1]" 1
903 1 37 PRO HA 1 37 PRO HB3 2.416 . 3.145 2.278 2.260 2.293 . 0 0 "[ . 1]" 1
904 1 37 PRO HA 1 37 PRO HD3 3.308 . 4.676 3.810 3.549 3.999 . 0 0 "[ . 1]" 1
905 1 37 PRO HA 1 37 PRO HG3 2.869 . 3.898 3.800 3.207 3.985 0.087 10 0 "[ . 1]" 1
906 1 37 PRO HB2 1 37 PRO HD2 3.483 . 5.000 3.681 2.970 4.009 . 0 0 "[ . 1]" 1
907 1 37 PRO HB2 1 37 PRO HD3 3.098 . 4.298 4.002 3.914 4.096 . 0 0 "[ . 1]" 1
908 1 37 PRO HB2 1 37 PRO HG3 2.520 . 3.314 2.782 2.677 2.984 . 0 0 "[ . 1]" 1
909 1 37 PRO HD2 1 37 PRO HG2 2.544 . 3.353 2.281 2.252 2.330 . 0 0 "[ . 1]" 1
910 1 37 PRO HD2 1 37 PRO HG3 2.749 . 3.693 2.844 2.712 3.000 . 0 0 "[ . 1]" 1
911 1 37 PRO HD3 1 37 PRO HG2 2.748 . 3.692 2.857 2.668 2.972 . 0 0 "[ . 1]" 1
912 1 37 PRO HD3 1 37 PRO HG3 2.545 . 3.355 2.281 2.254 2.325 . 0 0 "[ . 1]" 1
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