NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
607992 |
5lcs   |
34014 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5lcs
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 833
_Distance_constraint_stats_list.Viol_count 709
_Distance_constraint_stats_list.Viol_total 671.793
_Distance_constraint_stats_list.Viol_max 0.901
_Distance_constraint_stats_list.Viol_rms 0.0432
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0081
_Distance_constraint_stats_list.Viol_average_violations_only 0.0948
_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 0.805 0.197 1 0 "[ . 1]"
1 2 PRO 1.149 0.156 8 0 "[ . 1]"
1 3 PHE 2.766 0.273 7 0 "[ . 1]"
1 4 ILE 2.356 0.802 1 1 "[+ . 1]"
1 5 PRO 3.868 0.695 5 2 "[ - + 1]"
1 6 ARG 1.967 0.802 1 1 "[+ . 1]"
1 7 PRO 3.478 0.268 2 0 "[ . 1]"
1 8 ILE 3.218 0.572 3 1 "[ + . 1]"
1 9 ASP 1.241 0.208 5 0 "[ . 1]"
1 10 THR 1.233 0.243 2 0 "[ . 1]"
1 11 CYS 1.166 0.171 10 0 "[ . 1]"
1 12 ARG 2.384 0.208 5 0 "[ . 1]"
1 13 LEU 0.851 0.117 10 0 "[ . 1]"
1 14 ARG 10.868 0.718 4 2 "[ +. - 1]"
1 15 ASN 1.403 0.678 3 1 "[ + . 1]"
1 16 GLY 1.554 0.190 7 0 "[ . 1]"
1 17 ILE 1.393 0.142 1 0 "[ . 1]"
1 18 CYS 0.954 0.121 9 0 "[ . 1]"
1 19 PHE 2.372 0.142 1 0 "[ . 1]"
1 20 PRO 1.347 0.395 3 0 "[ . 1]"
1 21 GLY 0.194 0.053 1 0 "[ . 1]"
1 22 ILE 0.422 0.070 8 0 "[ . 1]"
1 23 CYS 1.632 0.131 3 0 "[ . 1]"
1 24 ARG 1.094 0.131 3 0 "[ . 1]"
1 25 ARG 0.728 0.127 6 0 "[ . 1]"
1 26 PRO 4.707 0.901 9 1 "[ . +1]"
1 27 TYR 6.418 0.563 9 3 "[ * . -+1]"
1 28 TYR 4.762 0.243 2 0 "[ . 1]"
1 29 TRP 2.243 0.119 8 0 "[ . 1]"
1 30 ILE 7.707 0.718 4 2 "[ +. - 1]"
1 31 GLY 1.445 0.118 1 0 "[ . 1]"
1 32 THR 1.027 0.201 1 0 "[ . 1]"
1 33 CYS 1.658 0.638 3 1 "[ + . 1]"
1 34 ASN 3.355 0.638 3 1 "[ + . 1]"
1 35 ASN 2.305 0.666 6 2 "[ -+ 1]"
1 36 GLY 1.745 0.156 10 0 "[ . 1]"
1 37 ILE 4.259 0.666 6 2 "[ -+ 1]"
1 38 GLY 3.125 0.715 9 2 "[ . -+1]"
1 39 SER 2.253 0.715 9 2 "[ . -+1]"
1 40 CYS 0.471 0.102 7 0 "[ . 1]"
1 41 CYS 1.371 0.118 1 0 "[ . 1]"
1 42 ALA 8.158 0.678 3 3 "[ + . -*1]"
1 43 ARG 4.084 0.563 9 3 "[ * . -+1]"
1 44 GLY 4.201 0.336 5 0 "[ . 1]"
1 45 TRP 4.505 0.901 9 1 "[ . +1]"
1 46 ARG 2.165 0.191 10 0 "[ . 1]"
1 47 SER 1.327 0.695 5 1 "[ + 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 18 CYS HA 1 19 PHE H 2.031 . 2.547 2.154 2.126 2.177 . 0 0 "[ . 1]" 1
2 1 27 TYR H 1 27 TYR HA 2.827 . 3.826 2.864 2.855 2.871 . 0 0 "[ . 1]" 1
3 1 27 TYR HA 1 28 TYR H 2.210 . 2.821 2.171 2.120 2.220 . 0 0 "[ . 1]" 1
4 1 27 TYR HA 1 27 TYR QD 2.565 . 3.387 2.931 2.824 3.009 . 0 0 "[ . 1]" 1
5 1 27 TYR HA 1 44 GLY H 3.093 . 4.289 2.356 2.221 2.463 . 0 0 "[ . 1]" 1
6 1 32 THR H 1 32 THR HA 2.810 . 3.797 2.938 2.927 2.945 . 0 0 "[ . 1]" 1
7 1 32 THR HA 1 33 CYS H 2.181 . 2.776 2.352 2.184 2.492 . 0 0 "[ . 1]" 1
8 1 29 TRP HE1 1 32 THR HA 3.110 . 4.319 3.211 2.781 3.567 . 0 0 "[ . 1]" 1
9 1 32 THR HA 1 40 CYS H 2.518 . 3.311 2.222 1.992 2.545 . 0 0 "[ . 1]" 1
10 1 42 ALA H 1 42 ALA HA 2.791 . 3.765 2.911 2.874 2.929 . 0 0 "[ . 1]" 1
11 1 42 ALA HA 1 43 ARG H 2.168 . 2.755 2.174 2.112 2.201 . 0 0 "[ . 1]" 1
12 1 27 TYR QD 1 42 ALA HA 2.857 . 3.878 3.779 3.501 3.944 0.066 3 0 "[ . 1]" 1
13 1 28 TYR H 1 28 TYR HA 2.891 . 3.936 2.929 2.924 2.933 . 0 0 "[ . 1]" 1
14 1 28 TYR HA 1 28 TYR QD 2.766 . 3.722 3.728 3.703 3.754 0.032 5 0 "[ . 1]" 1
15 1 28 TYR HA 1 29 TRP H 2.102 . 2.654 2.091 2.068 2.122 . 0 0 "[ . 1]" 1
16 1 29 TRP HE1 1 39 SER HA 2.861 . 3.884 2.726 2.173 3.158 . 0 0 "[ . 1]" 1
17 1 39 SER HA 1 40 CYS H 2.080 . 2.621 2.128 2.058 2.192 . 0 0 "[ . 1]" 1
18 1 29 TRP HD1 1 39 SER HA 2.730 . 3.662 3.352 2.490 3.718 0.056 1 0 "[ . 1]" 1
19 1 39 SER H 1 39 SER HA 2.864 . 3.889 2.913 2.887 2.933 . 0 0 "[ . 1]" 1
20 1 19 PHE HA 1 19 PHE QD 2.592 . 3.432 2.668 2.438 2.896 . 0 0 "[ . 1]" 1
21 1 19 PHE H 1 19 PHE HA 2.545 . 3.355 2.923 2.905 2.943 . 0 0 "[ . 1]" 1
22 1 40 CYS HA 1 41 CYS H 2.216 . 2.830 2.184 2.132 2.242 . 0 0 "[ . 1]" 1
23 1 29 TRP HA 1 29 TRP HD1 2.811 . 3.798 3.247 3.127 3.358 . 0 0 "[ . 1]" 1
24 1 29 TRP H 1 29 TRP HA 2.578 . 3.409 2.819 2.797 2.852 . 0 0 "[ . 1]" 1
25 1 29 TRP HA 1 30 ILE H 2.176 . 2.768 2.126 2.100 2.194 . 0 0 "[ . 1]" 1
26 1 20 PRO HA 1 21 GLY H 2.668 . 3.557 2.204 2.181 2.231 . 0 0 "[ . 1]" 1
27 1 38 GLY H 1 38 GLY HA2 2.539 . 3.345 2.520 2.266 2.920 . 0 0 "[ . 1]" 1
28 1 45 TRP H 1 45 TRP HA 2.792 . 3.766 2.904 2.887 2.924 . 0 0 "[ . 1]" 1
29 1 3 PHE HA 1 4 ILE H 2.275 . 2.922 2.466 2.444 2.492 . 0 0 "[ . 1]" 1
30 1 45 TRP HA 1 45 TRP HE3 3.117 . 4.331 2.440 2.193 2.650 . 0 0 "[ . 1]" 1
31 1 45 TRP HA 1 46 ARG H 2.405 . 3.128 2.129 2.096 2.195 . 0 0 "[ . 1]" 1
32 1 30 ILE H 1 30 ILE HA 2.952 . 4.041 2.941 2.936 2.945 . 0 0 "[ . 1]" 1
33 1 26 PRO HA 1 27 TYR H 2.871 . 3.901 2.232 2.201 2.251 . 0 0 "[ . 1]" 1
34 1 22 ILE HA 1 23 CYS H 2.057 . 2.586 2.225 2.173 2.276 . 0 0 "[ . 1]" 1
35 1 7 PRO HA 1 8 ILE H 2.023 . 2.535 2.152 2.095 2.210 . 0 0 "[ . 1]" 1
36 1 22 ILE H 1 22 ILE HA 2.709 . 3.626 2.929 2.915 2.944 . 0 0 "[ . 1]" 1
37 1 37 ILE H 1 37 ILE HA 2.462 . 3.220 2.883 2.862 2.936 . 0 0 "[ . 1]" 1
38 1 34 ASN H 1 34 ASN HA 2.872 . 3.903 2.314 2.246 2.699 . 0 0 "[ . 1]" 1
39 1 4 ILE H 1 4 ILE HA 2.917 . 3.980 2.897 2.880 2.919 . 0 0 "[ . 1]" 1
40 1 11 CYS H 1 11 CYS HA 2.685 . 3.586 2.784 2.763 2.818 . 0 0 "[ . 1]" 1
41 1 14 ARG H 1 14 ARG HA 2.656 . 3.538 2.906 2.859 2.923 . 0 0 "[ . 1]" 1
42 1 35 ASN H 1 35 ASN HA 2.375 . 3.080 2.685 2.255 2.946 . 0 0 "[ . 1]" 1
43 1 32 THR H 1 32 THR HB 3.062 . 4.234 3.552 3.158 3.717 . 0 0 "[ . 1]" 1
44 1 32 THR HB 1 33 CYS H 2.220 . 2.836 2.556 2.110 2.885 0.049 1 0 "[ . 1]" 1
45 1 25 ARG HA 1 27 TYR H 2.216 . 2.830 1.883 1.657 2.165 . 0 0 "[ . 1]" 1
46 1 5 PRO HA 1 6 ARG H 2.174 . 2.765 2.134 2.113 2.162 . 0 0 "[ . 1]" 1
47 1 23 CYS HA 1 24 ARG H 2.020 . 2.530 2.229 2.184 2.264 . 0 0 "[ . 1]" 1
48 1 46 ARG HA 1 47 SER H 2.389 . 3.103 2.126 2.026 2.209 . 0 0 "[ . 1]" 1
49 1 44 GLY HA2 1 45 TRP H 2.626 . 3.488 2.847 2.687 2.929 . 0 0 "[ . 1]" 1
50 1 21 GLY H 1 21 GLY HA2 2.318 . 2.990 2.549 2.491 2.599 . 0 0 "[ . 1]" 1
51 1 28 TYR H 1 43 ARG HA 3.244 . 4.559 4.575 4.524 4.636 0.077 7 0 "[ . 1]" 1
52 1 43 ARG HA 1 44 GLY H 2.277 . 2.925 2.083 2.057 2.105 . 0 0 "[ . 1]" 1
53 1 27 TYR QD 1 43 ARG HA 2.924 . 3.993 2.088 1.971 2.256 . 0 0 "[ . 1]" 1
54 1 43 ARG H 1 43 ARG HA 2.775 . 3.737 2.798 2.766 2.807 . 0 0 "[ . 1]" 1
55 1 27 TYR QE 1 43 ARG HA 3.167 . 4.421 2.795 2.554 2.933 . 0 0 "[ . 1]" 1
56 1 13 LEU HA 1 14 ARG H 3.146 . 4.383 2.222 2.188 2.345 . 0 0 "[ . 1]" 1
57 1 13 LEU H 1 13 LEU HA 2.616 . 3.471 2.910 2.865 2.938 . 0 0 "[ . 1]" 1
58 1 17 ILE HA 1 18 CYS H 2.040 . 2.560 2.251 2.199 2.325 . 0 0 "[ . 1]" 1
59 1 8 ILE HA 1 9 ASP H 2.125 . 2.690 2.116 2.084 2.160 . 0 0 "[ . 1]" 1
60 1 8 ILE H 1 8 ILE HA 2.741 . 3.680 2.808 2.790 2.886 . 0 0 "[ . 1]" 1
61 1 29 TRP HE1 1 39 SER QB 3.180 . 4.444 3.155 2.763 3.829 . 0 0 "[ . 1]" 1
62 1 39 SER QB 1 40 CYS H 2.902 . 3.955 3.471 3.246 3.714 . 0 0 "[ . 1]" 1
63 1 29 TRP HD1 1 39 SER QB 2.244 . 2.874 1.993 1.825 2.357 0.008 2 0 "[ . 1]" 1
64 1 10 THR HA 1 11 CYS H 3.069 . 4.247 2.653 2.626 2.710 . 0 0 "[ . 1]" 1
65 1 10 THR H 1 10 THR HA 2.762 . 3.716 2.874 2.778 2.918 . 0 0 "[ . 1]" 1
66 1 39 SER H 1 39 SER QB 2.570 . 3.396 2.773 2.253 3.167 . 0 0 "[ . 1]" 1
67 1 44 GLY H 1 44 GLY HA3 2.513 . 3.302 2.936 2.929 2.940 . 0 0 "[ . 1]" 1
68 1 44 GLY HA3 1 45 TRP H 2.705 . 3.619 2.304 2.220 2.461 . 0 0 "[ . 1]" 1
69 1 21 GLY H 1 21 GLY HA3 2.564 . 3.385 2.943 2.930 2.953 . 0 0 "[ . 1]" 1
70 1 28 TYR QD 1 44 GLY HA3 2.916 . 3.979 3.918 3.759 4.040 0.061 7 0 "[ . 1]" 1
71 1 28 TYR QE 1 44 GLY HA3 2.758 . 3.709 3.123 2.827 3.492 . 0 0 "[ . 1]" 1
72 1 21 GLY HA3 1 22 ILE H 2.131 . 2.699 2.174 2.156 2.195 . 0 0 "[ . 1]" 1
73 1 19 PHE QD 1 20 PRO HD2 2.741 . 3.680 2.836 2.619 3.084 . 0 0 "[ . 1]" 1
74 1 31 GLY HA3 1 32 THR H 2.241 . 2.869 2.462 2.362 2.579 . 0 0 "[ . 1]" 1
75 1 38 GLY HA3 1 39 SER H 2.376 . 3.081 2.807 2.396 3.381 0.300 7 0 "[ . 1]" 1
76 1 36 GLY H 1 36 GLY HA3 2.214 . 2.826 2.939 2.910 2.956 0.130 4 0 "[ . 1]" 1
77 1 36 GLY HA3 1 37 ILE H 3.068 . 4.245 2.749 2.469 3.384 . 0 0 "[ . 1]" 1
78 1 33 CYS H 1 33 CYS HB2 3.142 . 4.376 3.112 2.884 3.415 . 0 0 "[ . 1]" 1
79 1 29 TRP H 1 29 TRP HB3 2.260 . 2.898 2.471 2.396 2.552 . 0 0 "[ . 1]" 1
80 1 29 TRP HB3 1 29 TRP HE3 2.447 . 3.195 2.555 2.517 2.604 . 0 0 "[ . 1]" 1
81 1 29 TRP H 1 29 TRP HB2 2.267 . 2.909 2.518 2.427 2.616 . 0 0 "[ . 1]" 1
82 1 29 TRP HB2 1 29 TRP HE3 2.921 . 3.988 4.085 4.066 4.107 0.119 8 0 "[ . 1]" 1
83 1 29 TRP HB2 1 29 TRP HD1 2.286 . 2.939 2.670 2.633 2.701 . 0 0 "[ . 1]" 1
84 1 33 CYS H 1 33 CYS HB3 3.019 . 4.158 2.804 2.608 3.026 . 0 0 "[ . 1]" 1
85 1 45 TRP H 1 45 TRP HB3 2.948 . 4.034 3.039 2.954 3.106 . 0 0 "[ . 1]" 1
86 1 16 GLY HA3 1 17 ILE H 2.495 . 3.273 2.645 2.575 2.699 . 0 0 "[ . 1]" 1
87 1 16 GLY H 1 16 GLY HA3 2.383 . 3.093 2.439 2.317 2.538 . 0 0 "[ . 1]" 1
88 1 45 TRP H 1 45 TRP HB2 2.834 . 3.838 3.117 3.022 3.192 . 0 0 "[ . 1]" 1
89 1 45 TRP HB2 1 45 TRP HE3 2.897 . 3.946 2.790 2.694 2.901 . 0 0 "[ . 1]" 1
90 1 45 TRP HB2 1 46 ARG H 3.236 . 4.545 4.391 4.123 4.475 . 0 0 "[ . 1]" 1
91 1 3 PHE H 1 3 PHE HB2 2.940 . 4.020 3.797 3.596 3.941 . 0 0 "[ . 1]" 1
92 1 3 PHE HB2 1 3 PHE QD 2.893 . 3.939 2.285 2.266 2.302 . 0 0 "[ . 1]" 1
93 1 28 TYR HB2 1 29 TRP H 2.472 . 3.236 3.212 3.116 3.271 0.035 6 0 "[ . 1]" 1
94 1 28 TYR HB2 1 28 TYR QD 2.153 . 2.732 2.329 2.312 2.360 . 0 0 "[ . 1]" 1
95 1 19 PHE H 1 19 PHE HB3 2.648 . 3.524 3.567 3.533 3.593 0.069 2 0 "[ . 1]" 1
96 1 19 PHE HB3 1 19 PHE QD 2.381 . 3.090 2.505 2.410 2.584 . 0 0 "[ . 1]" 1
97 1 35 ASN HB3 1 35 ASN HD21 3.087 . 4.279 3.051 2.210 3.477 . 0 0 "[ . 1]" 1
98 1 24 ARG H 1 27 TYR HB2 2.917 . 3.980 3.524 3.179 3.981 0.001 2 0 "[ . 1]" 1
99 1 27 TYR H 1 27 TYR HB2 2.381 . 3.089 3.045 3.010 3.076 . 0 0 "[ . 1]" 1
100 1 34 ASN HB2 1 34 ASN QD 2.495 . 3.273 2.190 2.141 2.226 . 0 0 "[ . 1]" 1
101 1 27 TYR HB2 1 27 TYR QD 2.312 . 2.980 2.373 2.350 2.401 . 0 0 "[ . 1]" 1
102 1 41 CYS H 1 41 CYS HB3 3.125 . 4.346 3.802 3.658 3.893 . 0 0 "[ . 1]" 1
103 1 3 PHE H 1 3 PHE HB3 2.845 . 3.856 2.832 2.411 3.100 . 0 0 "[ . 1]" 1
104 1 3 PHE HB3 1 3 PHE QD 2.715 . 3.636 2.548 2.505 2.605 . 0 0 "[ . 1]" 1
105 1 41 CYS HB3 1 42 ALA H 2.887 . 3.929 2.638 2.273 3.582 . 0 0 "[ . 1]" 1
106 1 29 TRP HZ3 1 31 GLY HA2 3.184 . 4.451 4.038 3.930 4.158 . 0 0 "[ . 1]" 1
107 1 29 TRP HZ2 1 31 GLY HA2 2.743 . 3.684 3.368 3.334 3.400 . 0 0 "[ . 1]" 1
108 1 29 TRP HH2 1 31 GLY HA2 2.796 . 3.773 3.073 3.030 3.107 . 0 0 "[ . 1]" 1
109 1 28 TYR HB3 1 28 TYR QE 3.180 . 4.444 4.445 4.437 4.455 0.011 8 0 "[ . 1]" 1
110 1 15 ASN HB2 1 15 ASN HD21 2.783 . 3.751 2.564 2.224 3.474 . 0 0 "[ . 1]" 1
111 1 15 ASN H 1 15 ASN HB2 2.876 . 3.910 3.305 2.768 3.537 . 0 0 "[ . 1]" 1
112 1 9 ASP H 1 9 ASP HB2 2.533 . 3.335 2.500 2.369 2.900 . 0 0 "[ . 1]" 1
113 1 35 ASN H 1 35 ASN HB2 3.097 . 4.296 2.999 2.327 3.588 . 0 0 "[ . 1]" 1
114 1 35 ASN HB2 1 35 ASN HD21 2.652 . 3.531 2.424 2.202 3.479 . 0 0 "[ . 1]" 1
115 1 19 PHE H 1 19 PHE HB2 2.234 . 2.858 2.313 2.271 2.346 . 0 0 "[ . 1]" 1
116 1 19 PHE HB2 1 19 PHE QD 2.522 . 3.317 2.286 2.256 2.333 . 0 0 "[ . 1]" 1
117 1 23 CYS QB 1 29 TRP H 3.025 . 4.169 3.581 3.484 3.704 . 0 0 "[ . 1]" 1
118 1 23 CYS H 1 23 CYS QB 2.427 . 3.164 2.618 2.159 2.921 . 0 0 "[ . 1]" 1
119 1 41 CYS H 1 41 CYS HB2 2.686 . 3.588 2.799 2.672 3.025 . 0 0 "[ . 1]" 1
120 1 19 PHE QD 1 41 CYS HB2 2.545 . 3.355 2.642 2.135 3.009 . 0 0 "[ . 1]" 1
121 1 19 PHE QE 1 41 CYS HB2 2.691 . 3.596 3.215 2.648 3.637 0.041 7 0 "[ . 1]" 1
122 1 41 CYS HB2 1 42 ALA H 2.992 . 4.111 3.436 3.034 4.192 0.081 1 0 "[ . 1]" 1
123 1 27 TYR HB3 1 27 TYR QD 2.277 . 2.925 2.422 2.393 2.451 . 0 0 "[ . 1]" 1
124 1 27 TYR HB3 1 28 TYR H 2.620 . 3.478 3.069 2.921 3.210 . 0 0 "[ . 1]" 1
125 1 9 ASP HB3 1 10 THR H 3.160 . 4.408 2.525 2.367 3.127 . 0 0 "[ . 1]" 1
126 1 34 ASN HB3 1 38 GLY H 3.246 . 4.563 4.321 3.469 4.692 0.129 5 0 "[ . 1]" 1
127 1 34 ASN HB3 1 34 ASN QD 2.890 . 3.934 2.799 2.677 2.864 . 0 0 "[ . 1]" 1
128 1 23 CYS QB 1 24 ARG H 2.979 . 4.088 3.150 2.884 3.337 . 0 0 "[ . 1]" 1
129 1 7 PRO HB3 1 8 ILE H 3.193 . 4.468 3.469 3.273 3.798 . 0 0 "[ . 1]" 1
130 1 40 CYS H 1 40 CYS HB3 2.474 . 3.239 2.429 2.300 2.535 . 0 0 "[ . 1]" 1
131 1 40 CYS H 1 40 CYS HB2 2.532 . 3.333 2.699 2.607 2.790 . 0 0 "[ . 1]" 1
132 1 14 ARG H 1 14 ARG HB3 2.921 . 3.987 2.824 2.344 3.780 . 0 0 "[ . 1]" 1
133 1 22 ILE HB 1 23 CYS H 2.350 . 3.040 2.760 2.534 2.970 . 0 0 "[ . 1]" 1
134 1 8 ILE H 1 8 ILE HB 2.475 . 3.241 2.426 2.360 2.489 . 0 0 "[ . 1]" 1
135 1 13 LEU H 1 13 LEU HB2 2.369 . 3.071 2.289 2.139 2.437 . 0 0 "[ . 1]" 1
136 1 10 THR H 1 12 ARG QG 2.869 . 3.898 3.006 2.462 3.971 0.073 10 0 "[ . 1]" 1
137 1 4 ILE H 1 4 ILE HB 2.778 . 3.743 2.759 2.504 2.941 . 0 0 "[ . 1]" 1
138 1 46 ARG QB 1 47 SER H 2.755 . 3.704 3.563 3.470 3.711 0.007 1 0 "[ . 1]" 1
139 1 12 ARG H 1 12 ARG QG 2.920 . 3.986 2.518 1.883 3.674 0.028 7 0 "[ . 1]" 1
140 1 14 ARG H 1 14 ARG HB2 2.299 . 2.960 2.776 2.211 3.441 0.481 2 0 "[ . 1]" 1
141 1 29 TRP HE1 1 32 THR MG 2.543 . 3.352 2.757 2.536 2.922 . 0 0 "[ . 1]" 1
142 1 32 THR MG 1 33 CYS H 2.797 . 3.775 3.134 2.276 3.539 . 0 0 "[ . 1]" 1
143 1 29 TRP HZ2 1 32 THR MG 2.117 . 2.677 2.229 1.913 2.720 0.043 2 0 "[ . 1]" 1
144 1 43 ARG H 1 43 ARG HB3 2.627 . 3.490 2.589 2.494 2.741 . 0 0 "[ . 1]" 1
145 1 8 ILE H 1 8 ILE HG13 2.749 . 3.693 2.837 2.149 3.552 . 0 0 "[ . 1]" 1
146 1 17 ILE HB 1 18 CYS H 3.156 . 4.401 4.245 4.050 4.363 . 0 0 "[ . 1]" 1
147 1 37 ILE H 1 37 ILE HG12 2.626 . 3.488 2.607 1.733 3.495 0.031 10 0 "[ . 1]" 1
148 1 17 ILE HB 1 19 PHE QD 3.000 . 4.125 3.807 3.131 4.162 0.037 4 0 "[ . 1]" 1
149 1 17 ILE HB 1 19 PHE QE 2.352 . 3.044 2.978 2.764 3.119 0.075 6 0 "[ . 1]" 1
150 1 17 ILE H 1 17 ILE HB 2.574 . 3.402 3.107 3.035 3.160 . 0 0 "[ . 1]" 1
151 1 27 TYR QD 1 43 ARG HB2 2.907 . 3.963 3.392 3.206 3.591 . 0 0 "[ . 1]" 1
152 1 27 TYR QE 1 43 ARG HB2 2.572 . 3.399 2.324 2.044 2.571 . 0 0 "[ . 1]" 1
153 1 43 ARG H 1 43 ARG HB2 2.584 . 3.419 2.460 2.295 2.583 . 0 0 "[ . 1]" 1
154 1 37 ILE H 1 37 ILE HG13 2.396 . 3.114 2.146 1.685 2.578 . 0 0 "[ . 1]" 1
155 1 22 ILE HG13 1 23 CYS H 3.168 . 4.423 4.207 3.969 4.391 . 0 0 "[ . 1]" 1
156 1 22 ILE H 1 22 ILE HG13 2.597 . 3.440 2.861 2.748 2.938 . 0 0 "[ . 1]" 1
157 1 27 TYR QE 1 43 ARG HG2 3.144 . 4.379 3.649 2.388 4.428 0.049 4 0 "[ . 1]" 1
158 1 10 THR H 1 10 THR MG 2.613 . 3.466 2.557 2.369 2.791 . 0 0 "[ . 1]" 1
159 1 8 ILE H 1 8 ILE HG12 2.847 . 3.860 3.671 3.376 3.903 0.043 2 0 "[ . 1]" 1
160 1 22 ILE H 1 22 ILE HG12 2.245 . 2.875 2.432 2.288 2.523 . 0 0 "[ . 1]" 1
161 1 23 CYS H 1 24 ARG H 3.174 . 4.433 4.507 4.453 4.564 0.131 3 0 "[ . 1]" 1
162 1 19 PHE H 1 39 SER H 2.945 . 4.029 3.297 2.794 3.798 . 0 0 "[ . 1]" 1
163 1 17 ILE H 1 41 CYS H 2.744 . 3.685 3.483 3.024 3.709 0.024 7 0 "[ . 1]" 1
164 1 41 CYS H 1 41 CYS HA 2.836 . 3.842 2.935 2.927 2.945 . 0 0 "[ . 1]" 1
165 1 30 ILE H 1 41 CYS HA 3.025 . 4.168 2.226 2.139 2.297 . 0 0 "[ . 1]" 1
166 1 41 CYS HA 1 42 ALA H 2.171 . 2.760 2.430 2.151 2.584 . 0 0 "[ . 1]" 1
167 1 42 ALA MB 1 43 ARG H 2.339 . 3.023 2.815 2.732 2.998 . 0 0 "[ . 1]" 1
168 1 28 TYR QD 1 42 ALA MB 3.021 . 4.162 3.820 3.537 3.951 . 0 0 "[ . 1]" 1
169 1 28 TYR H 1 42 ALA MB 3.142 . 4.376 4.051 3.679 4.283 . 0 0 "[ . 1]" 1
170 1 42 ALA H 1 42 ALA MB 2.367 . 3.067 2.522 2.260 2.636 . 0 0 "[ . 1]" 1
171 1 27 TYR QE 1 43 ARG HG3 2.669 . 3.560 3.019 2.543 3.504 . 0 0 "[ . 1]" 1
172 1 28 TYR QE 1 42 ALA MB 2.503 . 3.286 2.816 2.654 2.944 . 0 0 "[ . 1]" 1
173 1 37 ILE MG 1 38 GLY H 3.147 . 4.385 3.469 2.503 4.365 . 0 0 "[ . 1]" 1
174 1 37 ILE H 1 37 ILE MG 2.650 . 3.528 3.168 2.634 3.690 0.162 9 0 "[ . 1]" 1
175 1 22 ILE MG 1 23 CYS H 2.655 . 3.536 3.571 3.549 3.606 0.070 8 0 "[ . 1]" 1
176 1 22 ILE H 1 22 ILE MG 2.530 . 3.330 3.231 3.104 3.335 0.005 4 0 "[ . 1]" 1
177 1 13 LEU H 1 13 LEU QD 2.763 . 3.717 2.458 2.279 2.661 . 0 0 "[ . 1]" 1
178 1 34 ASN QD 1 37 ILE MD 3.063 . 4.236 2.886 1.858 3.579 0.032 8 0 "[ . 1]" 1
179 1 8 ILE MG 1 9 ASP H 2.677 . 3.573 2.907 2.647 3.212 . 0 0 "[ . 1]" 1
180 1 8 ILE H 1 8 ILE MD 2.767 . 3.724 2.729 1.774 3.708 0.036 5 0 "[ . 1]" 1
181 1 30 ILE MG 1 42 ALA H 2.863 . 3.888 3.917 3.743 4.024 0.136 2 0 "[ . 1]" 1
182 1 30 ILE H 1 30 ILE MG 2.864 . 3.889 3.049 2.909 3.169 . 0 0 "[ . 1]" 1
183 1 28 TYR QD 1 30 ILE MG 2.374 . 3.079 1.978 1.901 2.133 . 0 0 "[ . 1]" 1
184 1 30 ILE MG 1 31 GLY H 3.203 . 4.485 4.108 4.065 4.140 . 0 0 "[ . 1]" 1
185 1 17 ILE MD 1 27 TYR QE 2.520 . 3.314 2.385 1.823 3.250 . 0 0 "[ . 1]" 1
186 1 17 ILE MD 1 19 PHE QE 2.999 . 4.123 3.642 3.100 4.211 0.088 2 0 "[ . 1]" 1
187 1 28 TYR QE 1 30 ILE MG 2.177 . 2.769 2.192 1.993 2.354 . 0 0 "[ . 1]" 1
188 1 17 ILE MD 1 19 PHE HZ 3.191 . 4.464 3.587 2.714 4.434 . 0 0 "[ . 1]" 1
189 1 16 GLY H 1 30 ILE MD 3.183 . 4.450 4.036 2.949 4.556 0.106 10 0 "[ . 1]" 1
190 1 30 ILE QG 1 42 ALA H 3.069 . 4.247 3.036 2.245 3.926 . 0 0 "[ . 1]" 1
191 1 30 ILE H 1 30 ILE QG 2.452 . 3.204 2.078 2.027 2.137 . 0 0 "[ . 1]" 1
192 1 30 ILE QG 1 41 CYS HA 3.234 . 4.541 2.036 1.823 2.639 0.104 9 0 "[ . 1]" 1
193 1 17 ILE MG 1 27 TYR QE 3.118 . 4.333 3.604 3.261 3.878 . 0 0 "[ . 1]" 1
194 1 17 ILE MG 1 18 CYS H 2.379 . 3.086 2.479 2.265 2.662 . 0 0 "[ . 1]" 1
195 1 17 ILE MG 1 19 PHE QD 2.767 . 3.724 2.672 2.436 2.928 . 0 0 "[ . 1]" 1
196 1 17 ILE MG 1 19 PHE QE 2.641 . 3.513 2.602 2.387 2.725 . 0 0 "[ . 1]" 1
197 1 17 ILE MG 1 19 PHE HZ 2.924 . 3.993 2.979 2.606 3.161 . 0 0 "[ . 1]" 1
198 1 41 CYS HA 1 41 CYS HB3 2.725 . 3.653 2.380 2.304 2.466 . 0 0 "[ . 1]" 1
199 1 31 GLY H 1 31 GLY HA2 2.448 . 3.197 2.297 2.292 2.302 . 0 0 "[ . 1]" 1
200 1 41 CYS HA 1 41 CYS HB2 2.875 . 3.908 3.011 2.980 3.027 . 0 0 "[ . 1]" 1
201 1 27 TYR HA 1 27 TYR HB3 2.870 . 3.899 2.457 2.436 2.481 . 0 0 "[ . 1]" 1
202 1 29 TRP HA 1 41 CYS HA 2.890 . 3.934 2.815 2.484 3.106 . 0 0 "[ . 1]" 1
203 1 30 ILE HA 1 31 GLY H 2.902 . 3.955 2.219 2.176 2.251 . 0 0 "[ . 1]" 1
204 1 22 ILE HA 1 39 SER HG 3.126 . 4.348 2.853 1.917 3.998 . 0 0 "[ . 1]" 1
205 1 39 SER QB 1 39 SER HG 3.107 . 4.314 2.047 2.002 2.111 . 0 0 "[ . 1]" 1
206 1 31 GLY H 1 31 GLY HA3 2.512 . 3.301 2.829 2.808 2.846 . 0 0 "[ . 1]" 1
207 1 27 TYR HA 1 43 ARG HA 2.794 . 3.769 3.052 2.871 3.222 . 0 0 "[ . 1]" 1
208 1 18 CYS HA 1 40 CYS HA 2.453 . 3.205 2.765 2.564 2.980 . 0 0 "[ . 1]" 1
209 1 37 ILE HA 1 37 ILE HB 2.409 . 3.135 2.715 2.556 2.958 . 0 0 "[ . 1]" 1
210 1 14 ARG HA 1 14 ARG HB3 2.418 . 3.149 2.828 2.265 3.018 . 0 0 "[ . 1]" 1
211 1 1 PCA HB2 1 5 PRO HD2 2.527 . 3.325 3.405 3.343 3.522 0.197 1 0 "[ . 1]" 1
212 1 1 PCA HB2 1 5 PRO HD3 2.591 . 3.430 2.521 2.187 3.205 . 0 0 "[ . 1]" 1
213 1 30 ILE HA 1 30 ILE HB 2.608 . 3.458 2.545 2.479 2.597 . 0 0 "[ . 1]" 1
214 1 22 ILE HA 1 22 ILE HB 2.146 . 2.722 2.519 2.486 2.553 . 0 0 "[ . 1]" 1
215 1 7 PRO HB2 1 7 PRO HD3 2.713 . 3.633 3.873 3.855 3.901 0.268 2 0 "[ . 1]" 1
216 1 7 PRO HB2 1 7 PRO HD2 3.099 . 4.300 3.296 2.931 4.008 . 0 0 "[ . 1]" 1
217 1 2 PRO HA 1 2 PRO HB3 2.529 . 3.328 2.272 2.267 2.278 . 0 0 "[ . 1]" 1
218 1 8 ILE HA 1 8 ILE HB 2.649 . 3.526 3.012 3.005 3.022 . 0 0 "[ . 1]" 1
219 1 7 PRO HA 1 8 ILE HB 3.207 . 4.492 4.558 4.523 4.582 0.090 8 0 "[ . 1]" 1
220 1 13 LEU HA 1 13 LEU HB2 2.547 . 3.358 3.000 2.941 3.014 . 0 0 "[ . 1]" 1
221 1 4 ILE HA 1 4 ILE HB 2.663 . 3.549 2.541 2.403 3.024 . 0 0 "[ . 1]" 1
222 1 46 ARG HA 1 46 ARG QB 3.006 . 3.410 2.324 2.224 2.531 . 0 0 "[ . 1]" 1
223 1 12 ARG QD 1 12 ARG QG 2.751 . 3.697 2.052 2.006 2.080 . 0 0 "[ . 1]" 1
224 1 14 ARG HA 1 14 ARG HB2 2.267 . 2.909 2.606 2.388 2.974 0.065 3 0 "[ . 1]" 1
225 1 32 THR HB 1 32 THR MG 2.202 . 2.808 2.134 2.130 2.139 . 0 0 "[ . 1]" 1
226 1 32 THR MG 1 37 ILE HA 2.951 . 4.039 4.060 3.583 4.240 0.201 1 0 "[ . 1]" 1
227 1 43 ARG HA 1 43 ARG HB3 2.807 . 3.792 3.020 3.017 3.023 . 0 0 "[ . 1]" 1
228 1 17 ILE HA 1 17 ILE HB 2.634 . 3.502 3.015 2.992 3.043 . 0 0 "[ . 1]" 1
229 1 43 ARG HA 1 43 ARG HB2 2.695 . 3.603 2.485 2.432 2.559 . 0 0 "[ . 1]" 1
230 1 43 ARG HB2 1 43 ARG HD2 3.231 . 4.536 3.335 2.441 3.736 . 0 0 "[ . 1]" 1
231 1 37 ILE HA 1 37 ILE HG13 2.779 . 3.744 3.451 2.829 3.740 . 0 0 "[ . 1]" 1
232 1 22 ILE HA 1 22 ILE HG13 3.077 . 4.260 3.727 3.703 3.755 . 0 0 "[ . 1]" 1
233 1 43 ARG HA 1 43 ARG HG2 3.149 . 4.388 2.830 2.392 3.266 . 0 0 "[ . 1]" 1
234 1 10 THR HB 1 10 THR MG 2.128 . 2.694 2.133 2.131 2.135 . 0 0 "[ . 1]" 1
235 1 10 THR HA 1 10 THR MG 2.299 . 2.959 2.251 2.174 2.340 . 0 0 "[ . 1]" 1
236 1 22 ILE HA 1 22 ILE HG12 2.963 . 4.060 3.696 3.644 3.732 . 0 0 "[ . 1]" 1
237 1 4 ILE HA 1 4 ILE HG12 3.128 . 4.351 3.507 2.413 3.795 . 0 0 "[ . 1]" 1
238 1 43 ARG HA 1 43 ARG HG3 2.880 . 3.917 2.973 2.472 3.652 . 0 0 "[ . 1]" 1
239 1 37 ILE HA 1 37 ILE MG 2.320 . 2.993 2.177 2.122 2.246 . 0 0 "[ . 1]" 1
240 1 22 ILE HA 1 22 ILE MG 2.174 . 2.765 2.274 2.247 2.305 . 0 0 "[ . 1]" 1
241 1 13 LEU HA 1 13 LEU QD 2.174 . 2.765 2.241 1.899 2.740 . 0 0 "[ . 1]" 1
242 1 37 ILE HA 1 37 ILE MD 2.932 . 4.007 3.917 3.645 4.166 0.159 7 0 "[ . 1]" 1
243 1 8 ILE HA 1 8 ILE MG 2.466 . 3.226 2.488 2.387 2.563 . 0 0 "[ . 1]" 1
244 1 4 ILE HA 1 4 ILE MD 2.655 . 3.536 2.223 2.004 3.287 . 0 0 "[ . 1]" 1
245 1 4 ILE MD 1 5 PRO HD2 3.119 . 4.335 2.291 1.892 3.363 0.011 10 0 "[ . 1]" 1
246 1 30 ILE HA 1 30 ILE MG 2.668 . 3.558 2.249 2.227 2.264 . 0 0 "[ . 1]" 1
247 1 12 ARG HA 1 12 ARG QD 3.023 . 4.166 4.088 3.677 4.259 0.093 7 0 "[ . 1]" 1
248 1 15 ASN HA 1 15 ASN HB3 2.267 . 2.910 2.783 2.542 3.018 0.108 1 0 "[ . 1]" 1
249 1 35 ASN HA 1 35 ASN HB3 2.297 . 2.956 2.672 2.478 3.031 0.075 5 0 "[ . 1]" 1
250 1 23 CYS HA 1 27 TYR HB2 3.096 . 4.294 3.481 2.929 3.784 . 0 0 "[ . 1]" 1
251 1 15 ASN HA 1 15 ASN HB2 2.607 . 3.457 2.767 2.482 3.012 . 0 0 "[ . 1]" 1
252 1 23 CYS HA 1 23 CYS QB 2.956 . 3.410 2.286 2.178 2.454 . 0 0 "[ . 1]" 1
253 1 34 ASN HA 1 34 ASN HB3 2.394 . 3.110 2.517 2.336 2.692 . 0 0 "[ . 1]" 1
254 1 10 THR HA 1 10 THR HB 2.347 . 3.036 2.535 2.479 2.578 . 0 0 "[ . 1]" 1
255 1 36 GLY H 1 37 ILE H 2.593 . 3.433 2.971 2.326 3.470 0.037 5 0 "[ . 1]" 1
256 1 28 TYR QD 1 45 TRP HE3 2.884 . 3.924 3.421 3.175 3.670 . 0 0 "[ . 1]" 1
257 1 19 PHE H 1 41 CYS H 3.558 . 5.140 3.615 3.322 3.734 . 0 0 "[ . 1]" 1
258 1 29 TRP HE1 1 40 CYS H 3.577 . 5.176 3.795 3.183 4.217 . 0 0 "[ . 1]" 1
259 1 18 CYS H 1 19 PHE H 3.535 . 5.097 4.260 4.078 4.435 . 0 0 "[ . 1]" 1
260 1 15 ASN HB3 1 15 ASN HD21 3.294 . 4.651 2.760 2.236 3.489 . 0 0 "[ . 1]" 1
261 1 29 TRP HE1 1 31 GLY H 3.817 . 5.638 5.265 5.205 5.348 . 0 0 "[ . 1]" 1
262 1 29 TRP HE1 1 31 GLY HA3 4.043 . 6.086 5.930 5.836 5.990 . 0 0 "[ . 1]" 1
263 1 29 TRP HB2 1 29 TRP HE1 3.604 . 5.227 4.783 4.772 4.797 . 0 0 "[ . 1]" 1
264 1 29 TRP HE1 1 31 GLY HA2 3.479 . 4.992 5.018 4.998 5.048 0.056 8 0 "[ . 1]" 1
265 1 19 PHE H 1 39 SER QB 3.423 . 4.887 3.957 3.393 4.255 . 0 0 "[ . 1]" 1
266 1 33 CYS HB2 1 34 ASN H 3.270 . 4.607 3.780 3.631 4.441 . 0 0 "[ . 1]" 1
267 1 40 CYS HB3 1 41 CYS H 3.754 . 5.515 4.421 4.315 4.515 . 0 0 "[ . 1]" 1
268 1 26 PRO HB3 1 27 TYR H 4.028 . 6.056 4.238 4.160 4.437 . 0 0 "[ . 1]" 1
269 1 26 PRO HG3 1 27 TYR H 3.934 . 5.868 5.476 5.367 5.748 . 0 0 "[ . 1]" 1
270 1 34 ASN H 1 34 ASN HB3 3.487 . 5.007 4.062 3.949 4.125 . 0 0 "[ . 1]" 1
271 1 23 CYS QB 1 27 TYR H 4.165 . 6.333 4.319 3.994 4.598 . 0 0 "[ . 1]" 1
272 1 23 CYS QB 1 41 CYS H 4.039 . 6.078 5.359 4.859 5.737 . 0 0 "[ . 1]" 1
273 1 23 CYS QB 1 28 TYR H 3.786 . 5.578 4.367 4.003 4.630 . 0 0 "[ . 1]" 1
274 1 19 PHE HB2 1 41 CYS H 3.931 . 5.862 4.876 4.407 5.187 . 0 0 "[ . 1]" 1
275 1 26 PRO HB3 1 44 GLY H 3.786 . 5.577 4.704 4.354 5.393 . 0 0 "[ . 1]" 1
276 1 5 PRO HB2 1 6 ARG H 3.383 . 4.814 3.967 3.503 4.245 . 0 0 "[ . 1]" 1
277 1 2 PRO HB2 1 3 PHE H 4.087 . 6.175 2.913 2.451 3.421 . 0 0 "[ . 1]" 1
278 1 30 ILE H 1 40 CYS HB3 3.480 . 4.994 4.011 3.932 4.148 . 0 0 "[ . 1]" 1
279 1 32 THR H 1 40 CYS HB3 3.793 . 5.591 3.759 3.405 4.127 . 0 0 "[ . 1]" 1
280 1 30 ILE H 1 40 CYS HB2 3.960 . 5.921 5.507 5.449 5.645 . 0 0 "[ . 1]" 1
281 1 11 CYS H 1 40 CYS HB2 4.155 . 6.313 5.820 5.137 6.090 . 0 0 "[ . 1]" 1
282 1 30 ILE H 1 30 ILE HB 3.323 . 4.703 3.726 3.655 3.809 . 0 0 "[ . 1]" 1
283 1 16 GLY H 1 42 ALA MB 3.568 . 5.159 3.403 2.980 4.106 . 0 0 "[ . 1]" 1
284 1 4 ILE H 1 4 ILE HG12 3.386 . 4.819 4.261 2.471 4.770 . 0 0 "[ . 1]" 1
285 1 21 GLY H 1 37 ILE MD 3.717 . 5.444 5.218 4.320 5.497 0.053 1 0 "[ . 1]" 1
286 1 8 ILE MD 1 47 SER H 3.326 . 4.708 4.557 4.019 4.773 0.065 1 0 "[ . 1]" 1
287 1 12 ARG H 1 13 LEU QD 3.717 . 5.444 4.218 4.085 4.346 . 0 0 "[ . 1]" 1
288 1 4 ILE H 1 4 ILE MG 3.583 . 5.188 2.323 1.946 3.797 0.032 6 0 "[ . 1]" 1
289 1 28 TYR H 1 30 ILE MG 3.815 . 5.634 4.834 4.700 5.062 . 0 0 "[ . 1]" 1
290 1 30 ILE MD 1 42 ALA H 3.578 . 5.178 3.273 2.430 3.636 . 0 0 "[ . 1]" 1
291 1 17 ILE MG 1 19 PHE H 3.641 . 5.298 3.128 2.785 3.527 . 0 0 "[ . 1]" 1
292 1 17 ILE HB 1 41 CYS H 3.670 . 5.353 4.520 3.837 5.061 . 0 0 "[ . 1]" 1
293 1 14 ARG H 1 30 ILE MD 3.854 . 5.710 4.621 4.089 5.254 . 0 0 "[ . 1]" 1
294 1 17 ILE MD 1 19 PHE QD 3.664 . 5.342 4.678 4.178 5.144 . 0 0 "[ . 1]" 1
295 1 28 TYR QD 1 30 ILE MD 3.644 . 5.304 3.851 3.272 4.305 . 0 0 "[ . 1]" 1
296 1 28 TYR QE 1 30 ILE MD 3.660 . 5.335 2.845 2.516 3.124 . 0 0 "[ . 1]" 1
297 1 30 ILE MG 1 41 CYS HA 3.625 . 5.267 3.729 3.490 3.990 . 0 0 "[ . 1]" 1
298 1 41 CYS HA 1 42 ALA MB 3.341 . 4.736 3.996 3.942 4.089 . 0 0 "[ . 1]" 1
299 1 17 ILE MG 1 18 CYS HA 3.617 . 5.253 3.306 3.082 3.507 . 0 0 "[ . 1]" 1
300 1 32 THR HA 1 32 THR MG 3.001 . 4.127 2.210 2.150 2.290 . 0 0 "[ . 1]" 1
301 1 18 CYS HA 1 40 CYS HB3 4.020 . 6.040 5.778 5.563 5.963 . 0 0 "[ . 1]" 1
302 1 18 CYS HA 1 40 CYS HB2 3.733 . 5.475 4.869 4.642 5.016 . 0 0 "[ . 1]" 1
303 1 18 CYS HA 1 33 CYS HB3 3.761 . 5.529 3.656 3.041 3.996 . 0 0 "[ . 1]" 1
304 1 18 CYS HA 1 33 CYS HB2 3.862 . 5.727 3.616 3.414 3.952 . 0 0 "[ . 1]" 1
305 1 17 ILE HA 1 18 CYS HA 3.721 . 5.452 4.428 4.396 4.465 . 0 0 "[ . 1]" 1
306 1 29 TRP HD1 1 40 CYS H 3.631 . 5.279 4.308 3.731 4.631 . 0 0 "[ . 1]" 1
307 1 35 ASN H 1 37 ILE H 3.939 . 5.879 3.788 2.613 5.017 . 0 0 "[ . 1]" 1
308 1 29 TRP HD1 1 30 ILE H 3.579 . 5.180 4.558 4.365 4.771 . 0 0 "[ . 1]" 1
309 1 22 ILE H 1 23 CYS H 3.419 . 4.881 4.371 4.312 4.426 . 0 0 "[ . 1]" 1
310 1 21 GLY H 1 39 SER H 3.584 . 5.190 3.356 2.915 3.850 . 0 0 "[ . 1]" 1
311 1 38 GLY H 1 39 SER H 3.449 . 4.936 4.154 3.378 4.543 . 0 0 "[ . 1]" 1
312 1 32 THR H 1 40 CYS H 3.876 . 5.754 4.270 3.932 4.604 . 0 0 "[ . 1]" 1
313 1 29 TRP H 1 30 ILE H 3.594 . 5.209 4.388 4.351 4.427 . 0 0 "[ . 1]" 1
314 1 27 TYR QD 1 41 CYS H 3.863 . 5.728 5.720 5.478 5.815 0.087 2 0 "[ . 1]" 1
315 1 19 PHE QE 1 41 CYS H 3.916 . 5.833 5.415 4.840 5.781 . 0 0 "[ . 1]" 1
316 1 28 TYR QE 1 42 ALA H 4.176 . 6.356 4.168 3.997 4.370 . 0 0 "[ . 1]" 1
317 1 29 TRP HZ2 1 31 GLY H 3.656 . 5.327 4.394 4.301 4.500 . 0 0 "[ . 1]" 1
318 1 18 CYS HA 1 19 PHE QD 3.284 . 4.632 4.431 4.082 4.637 0.005 8 0 "[ . 1]" 1
319 1 28 TYR QE 1 45 TRP HA 3.602 . 5.224 3.900 3.702 4.091 . 0 0 "[ . 1]" 1
320 1 19 PHE HA 1 19 PHE QE 3.749 . 5.506 4.460 4.388 4.529 . 0 0 "[ . 1]" 1
321 1 26 PRO HA 1 27 TYR QD 3.897 . 5.795 4.158 3.911 4.299 . 0 0 "[ . 1]" 1
322 1 35 ASN HA 1 35 ASN HD22 3.597 . 5.215 4.378 3.807 4.715 . 0 0 "[ . 1]" 1
323 1 25 ARG HA 1 27 TYR QD 3.309 . 4.678 3.415 2.997 3.750 . 0 0 "[ . 1]" 1
324 1 19 PHE QD 1 39 SER QB 3.671 . 5.355 4.104 3.588 4.533 . 0 0 "[ . 1]" 1
325 1 28 TYR QD 1 45 TRP HA 3.672 . 5.358 2.234 2.094 2.326 . 0 0 "[ . 1]" 1
326 1 29 TRP HZ3 1 30 ILE HA 3.307 . 4.674 4.494 4.312 4.642 . 0 0 "[ . 1]" 1
327 1 22 ILE HA 1 39 SER QB 3.281 . 4.627 2.652 2.102 3.346 . 0 0 "[ . 1]" 1
328 1 5 PRO HA 1 5 PRO HD3 3.277 . 4.619 3.287 2.946 3.695 . 0 0 "[ . 1]" 1
329 1 7 PRO HA 1 7 PRO HD3 3.644 . 5.304 3.448 3.091 3.663 . 0 0 "[ . 1]" 1
330 1 2 PRO HD2 1 3 PHE HA 3.323 . 4.703 4.818 4.780 4.859 0.156 8 0 "[ . 1]" 1
331 1 30 ILE HB 1 30 ILE MD 2.518 . 3.310 2.447 2.370 2.742 . 0 0 "[ . 1]" 1
332 1 37 ILE HB 1 37 ILE MG 2.414 . 3.143 2.125 2.120 2.129 . 0 0 "[ . 1]" 1
333 1 37 ILE HB 1 37 ILE MD 2.820 . 3.814 2.343 2.246 2.402 . 0 0 "[ . 1]" 1
334 1 26 PRO HB3 1 26 PRO HG2 2.693 . 3.600 2.765 2.716 2.983 . 0 0 "[ . 1]" 1
335 1 37 ILE HB 1 37 ILE HG12 2.726 . 3.655 2.804 2.533 3.021 . 0 0 "[ . 1]" 1
336 1 37 ILE HB 1 37 ILE HG13 2.742 . 3.682 2.742 2.462 3.016 . 0 0 "[ . 1]" 1
337 1 19 PHE HB3 1 20 PRO HD2 2.814 . 3.804 3.319 2.967 3.584 . 0 0 "[ . 1]" 1
338 1 22 ILE HB 1 22 ILE MG 2.179 . 2.772 2.122 2.120 2.125 . 0 0 "[ . 1]" 1
339 1 13 LEU HB2 1 13 LEU QD 2.320 . 2.993 2.204 2.104 2.333 . 0 0 "[ . 1]" 1
340 1 12 ARG QG 1 13 LEU QD 2.144 . 2.719 1.976 1.785 2.732 0.013 10 0 "[ . 1]" 1
341 1 8 ILE HB 1 8 ILE MG 2.220 . 2.836 2.131 2.127 2.135 . 0 0 "[ . 1]" 1
342 1 30 ILE HB 1 30 ILE MG 2.125 . 2.689 2.124 2.115 2.130 . 0 0 "[ . 1]" 1
343 1 8 ILE HG12 1 8 ILE MG 2.193 . 2.794 2.315 2.193 2.434 . 0 0 "[ . 1]" 1
344 1 22 ILE MD 1 22 ILE HG12 2.271 . 2.916 2.118 2.115 2.119 . 0 0 "[ . 1]" 1
345 1 22 ILE HB 1 22 ILE HG13 2.919 . 3.984 2.480 2.458 2.498 . 0 0 "[ . 1]" 1
346 1 26 PRO HB3 1 26 PRO HG3 2.053 . 2.580 2.295 2.285 2.336 . 0 0 "[ . 1]" 1
347 1 1 PCA HB3 1 1 PCA HG3 2.325 . 3.001 2.284 2.275 2.292 . 0 0 "[ . 1]" 1
348 1 19 PHE HB2 1 20 PRO HD2 3.338 . 4.731 4.561 4.390 4.680 . 0 0 "[ . 1]" 1
349 1 19 PHE HB2 1 39 SER QB 3.366 . 4.740 3.127 2.097 3.771 . 0 0 "[ . 1]" 1
350 1 34 ASN HB3 1 38 GLY HA3 3.451 . 4.939 4.009 3.639 4.933 . 0 0 "[ . 1]" 1
351 1 1 PCA HB3 1 2 PRO HD3 3.493 . 5.018 4.497 4.368 4.702 . 0 0 "[ . 1]" 1
352 1 26 PRO HA 1 26 PRO HB3 2.446 . 3.194 2.284 2.276 2.336 . 0 0 "[ . 1]" 1
353 1 5 PRO HA 1 5 PRO HB2 2.432 . 3.171 2.876 2.776 2.993 . 0 0 "[ . 1]" 1
354 1 7 PRO HA 1 7 PRO HB3 2.255 . 2.891 2.299 2.259 2.326 . 0 0 "[ . 1]" 1
355 1 30 ILE HB 1 31 GLY H 3.463 . 4.962 3.951 3.930 4.001 . 0 0 "[ . 1]" 1
356 1 31 GLY H 1 32 THR MG 3.939 . 5.879 5.273 4.978 5.919 0.040 1 0 "[ . 1]" 1
357 1 26 PRO HB2 1 27 TYR QD 3.565 . 5.153 4.780 4.706 4.940 . 0 0 "[ . 1]" 1
358 1 26 PRO HB2 1 27 TYR QE 3.388 . 4.823 5.059 4.951 5.193 0.370 9 0 "[ . 1]" 1
359 1 13 LEU HB2 1 46 ARG HE 4.209 . 6.424 6.068 5.364 6.508 0.084 2 0 "[ . 1]" 1
360 1 14 ARG HB2 1 14 ARG HE 3.476 . 4.986 3.813 2.058 4.552 . 0 0 "[ . 1]" 1
361 1 34 ASN QD 1 37 ILE HB 3.501 . 5.033 3.355 2.478 3.666 . 0 0 "[ . 1]" 1
362 1 17 ILE HB 1 19 PHE HZ 3.398 . 4.841 4.394 4.061 4.827 . 0 0 "[ . 1]" 1
363 1 3 PHE HZ 1 5 PRO HB2 3.665 . 5.344 5.298 5.086 5.617 0.273 7 0 "[ . 1]" 1
364 1 26 PRO HB3 1 45 TRP HE3 3.793 . 5.591 4.800 4.519 5.886 0.295 9 0 "[ . 1]" 1
365 1 27 TYR HA 1 28 TYR QE 3.759 . 5.526 4.671 4.471 4.870 . 0 0 "[ . 1]" 1
366 1 19 PHE QD 1 41 CYS HA 3.757 . 5.522 5.287 4.951 5.569 0.047 6 0 "[ . 1]" 1
367 1 27 TYR QD 1 41 CYS HA 3.845 . 5.693 5.534 5.319 5.674 . 0 0 "[ . 1]" 1
368 1 38 GLY H 1 39 SER QB 3.644 . 5.304 5.387 5.170 6.019 0.715 9 2 "[ . -+1]" 1
369 1 34 ASN QD 1 38 GLY HA2 3.616 . 5.251 2.304 1.913 3.094 0.068 5 0 "[ . 1]" 1
370 1 34 ASN QD 1 38 GLY H 2.287 . 2.941 2.718 2.063 3.061 0.120 2 0 "[ . 1]" 1
371 1 39 SER H 1 39 SER HG 3.625 . 5.267 3.213 2.888 3.779 . 0 0 "[ . 1]" 1
372 1 18 CYS HA 1 39 SER H 4.017 . 6.034 4.662 4.143 5.390 . 0 0 "[ . 1]" 1
373 1 29 TRP HA 1 42 ALA H 3.644 . 5.304 4.505 4.367 4.670 . 0 0 "[ . 1]" 1
374 1 16 GLY H 1 17 ILE H 3.532 . 5.091 2.383 2.201 2.663 . 0 0 "[ . 1]" 1
375 1 31 GLY H 1 41 CYS HA 3.993 . 5.986 6.042 5.972 6.104 0.118 1 0 "[ . 1]" 1
376 1 29 TRP HE3 1 31 GLY H 3.234 . 4.542 3.361 3.183 3.536 . 0 0 "[ . 1]" 1
377 1 31 GLY H 1 32 THR H 3.388 . 4.823 4.623 4.546 4.669 . 0 0 "[ . 1]" 1
378 1 29 TRP H 1 41 CYS HA 3.707 . 5.425 4.880 4.530 5.204 . 0 0 "[ . 1]" 1
379 1 29 TRP H 1 30 ILE HA 4.180 . 6.364 5.473 5.409 5.547 . 0 0 "[ . 1]" 1
380 1 29 TRP HA 1 29 TRP HE3 3.608 . 5.235 4.501 4.454 4.548 . 0 0 "[ . 1]" 1
381 1 26 PRO HA 1 45 TRP HE3 3.281 . 4.627 3.641 3.451 4.250 . 0 0 "[ . 1]" 1
382 1 22 ILE HA 1 29 TRP HD1 3.449 . 4.936 3.999 3.465 4.453 . 0 0 "[ . 1]" 1
383 1 44 GLY HA2 1 45 TRP HE3 3.472 . 4.979 5.021 4.938 5.056 0.077 8 0 "[ . 1]" 1
384 1 23 CYS H 1 39 SER QB 3.661 . 5.337 2.986 2.576 3.423 . 0 0 "[ . 1]" 1
385 1 27 TYR HB2 1 28 TYR H 2.854 . 3.872 3.991 3.905 4.066 0.194 10 0 "[ . 1]" 1
386 1 9 ASP HB2 1 10 THR H 3.560 . 5.144 3.687 3.501 3.916 . 0 0 "[ . 1]" 1
387 1 29 TRP HE1 1 32 THR HB 4.252 . 6.512 5.109 4.818 5.391 . 0 0 "[ . 1]" 1
388 1 19 PHE H 1 38 GLY HA2 4.161 . 6.325 5.176 4.744 5.571 . 0 0 "[ . 1]" 1
389 1 17 ILE HB 1 19 PHE H 4.029 . 6.058 5.195 4.493 5.883 . 0 0 "[ . 1]" 1
390 1 19 PHE H 1 21 GLY H 4.191 . 6.387 5.658 5.494 5.843 . 0 0 "[ . 1]" 1
391 1 28 TYR H 1 44 GLY H 4.177 . 6.358 3.944 3.856 4.044 . 0 0 "[ . 1]" 1
392 1 27 TYR H 1 44 GLY HA3 4.507 . 7.046 6.402 6.148 6.721 . 0 0 "[ . 1]" 1
393 1 34 ASN H 1 34 ASN HB2 3.604 . 5.228 3.533 3.233 3.819 . 0 0 "[ . 1]" 1
394 1 18 CYS H 1 41 CYS H 4.071 . 6.142 4.911 4.668 5.154 . 0 0 "[ . 1]" 1
395 1 17 ILE HA 1 41 CYS H 4.280 . 6.570 5.142 4.814 5.369 . 0 0 "[ . 1]" 1
396 1 34 ASN H 1 35 ASN H 3.913 . 5.827 3.835 1.909 4.679 0.090 3 0 "[ . 1]" 1
397 1 27 TYR H 1 28 TYR H 4.019 . 6.038 4.102 4.034 4.177 . 0 0 "[ . 1]" 1
398 1 28 TYR H 1 41 CYS HA 3.341 . 4.737 4.469 4.224 4.598 . 0 0 "[ . 1]" 1
399 1 42 ALA H 1 43 ARG HA 4.250 . 6.508 4.987 4.811 5.448 . 0 0 "[ . 1]" 1
400 1 27 TYR HA 1 42 ALA H 3.387 . 4.821 4.159 3.792 4.889 0.068 1 0 "[ . 1]" 1
401 1 29 TRP HE1 1 39 SER H 4.225 . 6.456 5.377 4.867 5.845 . 0 0 "[ . 1]" 1
402 1 39 SER H 1 40 CYS HB2 4.346 . 6.707 5.847 5.453 6.152 . 0 0 "[ . 1]" 1
403 1 32 THR HA 1 39 SER H 4.490 . 7.010 4.892 4.157 5.251 . 0 0 "[ . 1]" 1
404 1 29 TRP H 1 30 ILE MG 3.836 . 5.675 4.571 4.403 4.754 . 0 0 "[ . 1]" 1
405 1 32 THR MG 1 40 CYS H 3.501 . 5.034 3.913 3.739 4.092 . 0 0 "[ . 1]" 1
406 1 32 THR HB 1 40 CYS H 3.667 . 5.348 4.569 4.348 4.915 . 0 0 "[ . 1]" 1
407 1 19 PHE H 1 40 CYS H 4.362 . 6.740 4.998 4.817 5.218 . 0 0 "[ . 1]" 1
408 1 39 SER H 1 40 CYS H 4.216 . 6.438 4.136 3.938 4.336 . 0 0 "[ . 1]" 1
409 1 31 GLY HA2 1 40 CYS H 3.863 . 5.729 5.183 4.847 5.410 . 0 0 "[ . 1]" 1
410 1 18 CYS HA 1 40 CYS H 4.482 . 6.993 5.046 4.725 5.203 . 0 0 "[ . 1]" 1
411 1 31 GLY HA3 1 40 CYS H 3.865 . 5.732 4.861 4.516 5.247 . 0 0 "[ . 1]" 1
412 1 40 CYS H 1 41 CYS H 3.920 . 5.841 4.267 4.063 4.364 . 0 0 "[ . 1]" 1
413 1 43 ARG H 1 43 ARG HD2 4.127 . 6.256 5.231 4.724 5.964 . 0 0 "[ . 1]" 1
414 1 33 CYS HB2 1 40 CYS H 3.738 . 5.485 3.188 2.621 3.529 . 0 0 "[ . 1]" 1
415 1 33 CYS HB3 1 40 CYS H 4.346 . 6.707 3.814 3.655 3.966 . 0 0 "[ . 1]" 1
416 1 27 TYR HA 1 43 ARG H 3.875 . 5.752 4.986 4.773 5.216 . 0 0 "[ . 1]" 1
417 1 43 ARG H 1 43 ARG HG2 3.395 . 4.836 4.419 4.276 4.502 . 0 0 "[ . 1]" 1
418 1 17 ILE MD 1 43 ARG H 4.242 . 6.491 4.682 4.151 4.960 . 0 0 "[ . 1]" 1
419 1 42 ALA H 1 43 ARG H 4.559 . 7.157 4.394 4.327 4.571 . 0 0 "[ . 1]" 1
420 1 17 ILE H 1 42 ALA HA 3.404 . 4.853 2.416 2.105 2.828 . 0 0 "[ . 1]" 1
421 1 17 ILE H 1 17 ILE MD 3.529 . 5.086 4.634 4.147 4.961 . 0 0 "[ . 1]" 1
422 1 17 ILE H 1 30 ILE MD 4.380 . 6.778 4.497 4.162 4.743 . 0 0 "[ . 1]" 1
423 1 30 ILE H 1 30 ILE MD 3.896 . 5.793 3.755 3.488 3.836 . 0 0 "[ . 1]" 1
424 1 22 ILE HG12 1 23 CYS H 3.537 . 5.101 5.005 4.865 5.112 0.011 8 0 "[ . 1]" 1
425 1 19 PHE HB3 1 23 CYS H 3.420 . 4.882 4.934 4.917 4.967 0.085 2 0 "[ . 1]" 1
426 1 29 TRP HB2 1 30 ILE H 3.537 . 5.101 4.378 4.294 4.482 . 0 0 "[ . 1]" 1
427 1 30 ILE H 1 40 CYS H 3.470 . 4.975 4.573 4.473 4.706 . 0 0 "[ . 1]" 1
428 1 30 ILE H 1 42 ALA H 3.794 . 5.593 4.222 3.855 4.395 . 0 0 "[ . 1]" 1
429 1 30 ILE H 1 42 ALA MB 3.921 . 5.843 5.233 4.937 5.404 . 0 0 "[ . 1]" 1
430 1 30 ILE H 1 41 CYS HB3 3.635 . 5.287 4.018 3.908 4.223 . 0 0 "[ . 1]" 1
431 1 30 ILE H 1 31 GLY HA3 4.019 . 6.038 5.240 5.192 5.304 . 0 0 "[ . 1]" 1
432 1 28 TYR HA 1 30 ILE H 4.125 . 6.252 5.628 5.567 5.728 . 0 0 "[ . 1]" 1
433 1 28 TYR QE 1 30 ILE H 4.301 . 6.613 5.727 5.545 5.907 . 0 0 "[ . 1]" 1
434 1 18 CYS H 1 40 CYS HA 3.751 . 5.510 5.338 4.926 5.588 0.078 10 0 "[ . 1]" 1
435 1 17 ILE MD 1 18 CYS H 3.583 . 5.188 4.167 3.350 4.724 . 0 0 "[ . 1]" 1
436 1 18 CYS H 1 33 CYS HB3 4.138 . 6.279 6.166 5.679 6.400 0.121 9 0 "[ . 1]" 1
437 1 42 ALA HA 1 44 GLY H 3.711 . 5.433 5.544 5.509 5.589 0.156 4 0 "[ . 1]" 1
438 1 43 ARG HD2 1 44 GLY H 3.745 . 5.499 5.283 4.598 5.835 0.336 5 0 "[ . 1]" 1
439 1 43 ARG H 1 44 GLY H 3.853 . 5.709 4.364 4.329 4.391 . 0 0 "[ . 1]" 1
440 1 43 ARG HB3 1 44 GLY H 3.443 . 4.924 4.297 4.260 4.361 . 0 0 "[ . 1]" 1
441 1 43 ARG HB2 1 44 GLY H 3.487 . 5.007 4.365 4.271 4.465 . 0 0 "[ . 1]" 1
442 1 43 ARG HG2 1 44 GLY H 3.463 . 4.962 3.470 3.202 3.689 . 0 0 "[ . 1]" 1
443 1 10 THR MG 1 11 CYS H 3.477 . 4.988 3.386 3.193 3.555 . 0 0 "[ . 1]" 1
444 1 11 CYS H 1 13 LEU QD 4.086 . 6.173 5.873 5.472 6.017 . 0 0 "[ . 1]" 1
445 1 9 ASP HB3 1 11 CYS H 4.038 . 6.076 5.927 5.796 6.083 0.007 3 0 "[ . 1]" 1
446 1 11 CYS H 1 30 ILE MD 4.171 . 6.345 4.495 3.765 5.653 . 0 0 "[ . 1]" 1
447 1 11 CYS H 1 13 LEU H 3.494 . 5.020 4.790 4.391 5.012 . 0 0 "[ . 1]" 1
448 1 10 THR H 1 13 LEU QD 3.435 . 4.910 4.189 3.882 4.633 . 0 0 "[ . 1]" 1
449 1 10 THR H 1 12 ARG QD 4.489 . 7.008 3.751 2.183 5.520 . 0 0 "[ . 1]" 1
450 1 3 PHE QE 1 6 ARG H 4.185 . 6.374 2.443 2.028 2.778 . 0 0 "[ . 1]" 1
451 1 6 ARG H 1 7 PRO HD3 3.740 . 5.489 5.104 4.857 5.463 . 0 0 "[ . 1]" 1
452 1 6 ARG H 1 7 PRO HD2 3.790 . 5.586 4.889 4.643 5.050 . 0 0 "[ . 1]" 1
453 1 3 PHE HB2 1 6 ARG H 4.373 . 6.764 6.367 5.926 6.775 0.011 10 0 "[ . 1]" 1
454 1 29 TRP HE1 1 32 THR H 4.197 . 6.398 5.252 4.937 5.538 . 0 0 "[ . 1]" 1
455 1 33 CYS HB3 1 38 GLY H 4.233 . 6.473 5.199 4.188 6.571 0.098 3 0 "[ . 1]" 1
456 1 38 GLY H 1 38 GLY HA3 2.377 . 3.084 2.652 2.276 2.877 . 0 0 "[ . 1]" 1
457 1 3 PHE H 1 4 ILE H 3.882 . 5.766 4.437 4.333 4.586 . 0 0 "[ . 1]" 1
458 1 2 PRO HB3 1 3 PHE H 3.391 . 4.829 4.075 3.818 4.337 . 0 0 "[ . 1]" 1
459 1 3 PHE H 1 3 PHE QD 4.127 . 6.256 2.091 1.953 2.285 0.045 7 0 "[ . 1]" 1
460 1 45 TRP H 1 46 ARG QB 4.312 . 6.588 4.918 4.727 5.199 . 0 0 "[ . 1]" 1
461 1 28 TYR QE 1 45 TRP H 3.908 . 5.817 3.583 3.220 3.932 . 0 0 "[ . 1]" 1
462 1 45 TRP H 1 45 TRP HE3 3.703 . 5.417 4.659 4.547 4.755 . 0 0 "[ . 1]" 1
463 1 44 GLY H 1 45 TRP H 3.387 . 4.821 4.411 4.392 4.427 . 0 0 "[ . 1]" 1
464 1 26 PRO HB3 1 45 TRP H 4.216 . 6.438 5.946 4.944 7.040 0.602 9 1 "[ . +1]" 1
465 1 42 ALA MB 1 45 TRP H 4.003 . 6.006 6.010 5.764 6.110 0.104 8 0 "[ . 1]" 1
466 1 11 CYS H 1 12 ARG H 2.668 . 3.558 2.870 2.813 2.925 . 0 0 "[ . 1]" 1
467 1 9 ASP HB3 1 12 ARG H 4.063 . 6.126 4.483 4.256 4.935 . 0 0 "[ . 1]" 1
468 1 10 THR MG 1 12 ARG H 4.251 . 6.510 4.309 3.933 4.569 . 0 0 "[ . 1]" 1
469 1 16 GLY H 1 42 ALA HA 3.905 . 5.811 3.383 2.808 3.702 . 0 0 "[ . 1]" 1
470 1 16 GLY H 1 16 GLY HA2 2.650 . 3.528 2.936 2.877 2.955 . 0 0 "[ . 1]" 1
471 1 15 ASN H 1 15 ASN HD22 4.257 . 6.522 5.576 4.438 6.421 . 0 0 "[ . 1]" 1
472 1 19 PHE HA 1 21 GLY H 3.762 . 5.531 5.275 5.137 5.377 . 0 0 "[ . 1]" 1
473 1 19 PHE HB2 1 21 GLY H 3.569 . 5.161 4.821 4.500 5.057 . 0 0 "[ . 1]" 1
474 1 22 ILE MD 1 24 ARG H 4.360 . 6.736 5.515 5.069 6.044 . 0 0 "[ . 1]" 1
475 1 30 ILE MD 1 46 ARG H 4.407 . 6.835 6.942 6.870 7.026 0.191 10 0 "[ . 1]" 1
476 1 45 TRP HD1 1 46 ARG H 3.591 . 5.203 4.508 3.681 4.870 . 0 0 "[ . 1]" 1
477 1 45 TRP H 1 46 ARG H 3.263 . 4.594 4.084 3.988 4.315 . 0 0 "[ . 1]" 1
478 1 24 ARG H 1 27 TYR H 3.864 . 5.730 4.855 4.537 5.255 . 0 0 "[ . 1]" 1
479 1 45 TRP HB3 1 46 ARG H 3.328 . 4.712 4.067 3.691 4.155 . 0 0 "[ . 1]" 1
480 1 3 PHE HB3 1 4 ILE H 3.646 . 5.308 4.012 3.973 4.052 . 0 0 "[ . 1]" 1
481 1 3 PHE HB2 1 4 ILE H 3.760 . 5.527 2.676 2.609 2.771 . 0 0 "[ . 1]" 1
482 1 4 ILE H 1 5 PRO HD3 4.186 . 6.377 4.670 4.234 4.901 . 0 0 "[ . 1]" 1
483 1 4 ILE H 1 4 ILE HG13 3.415 . 4.873 4.329 3.867 4.748 . 0 0 "[ . 1]" 1
484 1 3 PHE QD 1 4 ILE H 4.001 . 6.002 3.134 2.950 3.290 . 0 0 "[ . 1]" 1
485 1 12 ARG H 1 13 LEU H 2.797 . 3.775 2.788 2.628 3.045 . 0 0 "[ . 1]" 1
486 1 21 GLY H 1 22 ILE H 3.122 . 4.340 4.191 4.043 4.366 0.026 1 0 "[ . 1]" 1
487 1 10 THR MG 1 13 LEU H 3.976 . 5.953 5.878 5.795 5.966 0.013 4 0 "[ . 1]" 1
488 1 11 CYS HA 1 13 LEU H 3.648 . 5.312 3.544 2.950 3.881 . 0 0 "[ . 1]" 1
489 1 9 ASP HB2 1 13 LEU H 3.998 . 5.996 4.300 3.854 5.602 . 0 0 "[ . 1]" 1
490 1 12 ARG QD 1 13 LEU H 4.380 . 6.778 4.291 4.023 4.595 . 0 0 "[ . 1]" 1
491 1 47 SER H 1 47 SER HA 2.896 . 3.944 2.260 2.252 2.275 . 0 0 "[ . 1]" 1
492 1 5 PRO HD3 1 47 SER H 3.399 . 4.843 4.898 4.628 5.538 0.695 5 1 "[ + 1]" 1
493 1 33 CYS H 1 39 SER H 3.802 . 5.609 3.794 3.065 4.415 . 0 0 "[ . 1]" 1
494 1 33 CYS H 1 40 CYS H 3.490 . 5.013 3.029 2.652 3.327 . 0 0 "[ . 1]" 1
495 1 29 TRP HE1 1 33 CYS H 4.493 . 7.016 4.931 4.442 5.446 . 0 0 "[ . 1]" 1
496 1 33 CYS H 1 40 CYS HB2 3.699 . 5.409 3.861 3.148 4.573 . 0 0 "[ . 1]" 1
497 1 36 GLY H 1 37 ILE HB 4.015 . 6.030 5.910 5.236 6.186 0.156 10 0 "[ . 1]" 1
498 1 35 ASN HB2 1 36 GLY H 3.511 . 5.052 4.345 3.625 4.640 . 0 0 "[ . 1]" 1
499 1 33 CYS H 1 34 ASN H 4.407 . 6.835 4.296 3.629 4.387 . 0 0 "[ . 1]" 1
500 1 33 CYS H 1 34 ASN HB2 3.674 . 5.362 4.344 3.770 4.993 . 0 0 "[ . 1]" 1
501 1 36 GLY H 1 37 ILE HG13 4.133 . 6.268 4.615 3.808 5.234 . 0 0 "[ . 1]" 1
502 1 36 GLY H 1 37 ILE MG 4.439 . 6.902 5.527 4.767 6.029 . 0 0 "[ . 1]" 1
503 1 34 ASN HB3 1 36 GLY H 4.437 . 6.897 4.757 3.629 5.926 . 0 0 "[ . 1]" 1
504 1 35 ASN HB3 1 36 GLY H 3.304 . 4.669 4.276 4.017 4.475 . 0 0 "[ . 1]" 1
505 1 33 CYS HA 1 36 GLY H 3.855 . 5.713 4.940 3.988 5.754 0.041 7 0 "[ . 1]" 1
506 1 35 ASN H 1 36 GLY H 2.836 . 3.841 2.983 1.964 3.847 0.006 10 0 "[ . 1]" 1
507 1 44 GLY H 1 45 TRP HE3 4.198 . 6.401 4.648 4.530 4.760 . 0 0 "[ . 1]" 1
508 1 25 ARG HE 1 45 TRP HE3 3.423 . 4.888 4.886 4.759 4.968 0.080 6 0 "[ . 1]" 1
509 1 44 GLY HA3 1 45 TRP HE3 3.707 . 5.424 5.496 5.450 5.558 0.134 6 0 "[ . 1]" 1
510 1 26 PRO HG3 1 45 TRP HE3 4.317 . 6.647 6.763 6.559 7.548 0.901 9 1 "[ . +1]" 1
511 1 45 TRP HE3 1 46 ARG QB 4.142 . 6.286 5.883 5.685 6.015 . 0 0 "[ . 1]" 1
512 1 35 ASN HA 1 35 ASN HD21 3.714 . 5.438 3.971 2.855 4.473 . 0 0 "[ . 1]" 1
513 1 35 ASN HD21 1 37 ILE MD 4.207 . 6.419 4.974 2.993 6.416 . 0 0 "[ . 1]" 1
514 1 35 ASN HB2 1 37 ILE H 3.495 . 5.022 4.766 3.687 5.688 0.666 6 2 "[ -+ 1]" 1
515 1 34 ASN QD 1 38 GLY HA3 3.615 . 5.248 2.219 1.924 2.694 0.058 9 0 "[ . 1]" 1
516 1 19 PHE HA 1 34 ASN QD 3.995 . 5.990 5.025 4.546 5.847 . 0 0 "[ . 1]" 1
517 1 29 TRP HE3 1 30 ILE MG 3.417 . 4.876 4.751 4.548 4.872 . 0 0 "[ . 1]" 1
518 1 28 TYR HB3 1 45 TRP HZ2 3.581 . 5.184 5.245 5.142 5.307 0.123 10 0 "[ . 1]" 1
519 1 29 TRP HE3 1 30 ILE H 3.633 . 5.283 4.716 4.649 4.767 . 0 0 "[ . 1]" 1
520 1 29 TRP H 1 29 TRP HE3 3.520 . 5.069 4.607 4.471 4.757 . 0 0 "[ . 1]" 1
521 1 29 TRP HD1 1 32 THR MG 3.457 . 4.951 4.889 4.643 5.014 0.063 7 0 "[ . 1]" 1
522 1 22 ILE MG 1 29 TRP HD1 3.734 . 5.477 4.395 3.508 5.164 . 0 0 "[ . 1]" 1
523 1 22 ILE HB 1 29 TRP HD1 4.077 . 6.154 5.113 4.323 5.901 . 0 0 "[ . 1]" 1
524 1 23 CYS QB 1 29 TRP HD1 3.945 . 5.220 3.995 3.204 4.589 . 0 0 "[ . 1]" 1
525 1 29 TRP HD1 1 41 CYS HB3 4.359 . 6.734 5.385 4.961 5.877 . 0 0 "[ . 1]" 1
526 1 29 TRP HD1 1 41 CYS HA 4.214 . 6.434 5.382 5.155 5.697 . 0 0 "[ . 1]" 1
527 1 29 TRP HD1 1 39 SER HG 3.838 . 5.679 3.865 3.520 4.499 . 0 0 "[ . 1]" 1
528 1 23 CYS H 1 29 TRP HD1 2.948 . 4.034 3.383 2.860 3.875 . 0 0 "[ . 1]" 1
529 1 29 TRP HD1 1 39 SER H 4.327 . 6.667 5.382 4.848 5.874 . 0 0 "[ . 1]" 1
530 1 29 TRP HH2 1 31 GLY H 4.064 . 6.129 3.802 3.707 3.908 . 0 0 "[ . 1]" 1
531 1 29 TRP HZ2 1 32 THR HA 3.590 . 5.201 3.859 3.454 4.221 . 0 0 "[ . 1]" 1
532 1 28 TYR HA 1 45 TRP HH2 3.879 . 5.760 4.009 3.789 4.221 . 0 0 "[ . 1]" 1
533 1 29 TRP HZ2 1 32 THR HB 3.826 . 5.656 4.983 4.668 5.281 . 0 0 "[ . 1]" 1
534 1 29 TRP HH2 1 31 GLY HA3 3.354 . 4.761 4.818 4.779 4.851 0.090 7 0 "[ . 1]" 1
535 1 1 PCA HB2 1 3 PHE QD 4.066 . 6.133 4.669 4.247 5.754 . 0 0 "[ . 1]" 1
536 1 3 PHE QD 1 5 PRO HD3 4.052 . 6.105 4.361 4.102 4.594 . 0 0 "[ . 1]" 1
537 1 3 PHE QD 1 5 PRO HA 3.836 . 5.675 3.983 3.642 4.293 . 0 0 "[ . 1]" 1
538 1 3 PHE HZ 1 5 PRO HA 3.628 . 5.274 2.880 2.472 3.454 . 0 0 "[ . 1]" 1
539 1 3 PHE QE 1 5 PRO HA 3.992 . 5.984 2.604 2.107 3.134 . 0 0 "[ . 1]" 1
540 1 3 PHE HZ 1 5 PRO HD3 4.148 . 6.299 4.754 4.052 5.540 . 0 0 "[ . 1]" 1
541 1 3 PHE QE 1 45 TRP HB3 4.030 . 6.060 4.854 4.319 6.004 . 0 0 "[ . 1]" 1
542 1 3 PHE HZ 1 4 ILE HA 4.114 . 6.230 6.317 6.260 6.354 0.124 10 0 "[ . 1]" 1
543 1 12 ARG HE 1 13 LEU QD 4.232 . 6.471 3.218 2.590 4.071 . 0 0 "[ . 1]" 1
544 1 17 ILE HA 1 19 PHE QD 4.087 . 6.175 5.691 5.472 5.831 . 0 0 "[ . 1]" 1
545 1 19 PHE QD 1 23 CYS HA 3.449 . 4.936 3.712 3.269 4.252 . 0 0 "[ . 1]" 1
546 1 29 TRP HH2 1 32 THR HA 4.246 . 6.500 5.856 5.550 6.145 . 0 0 "[ . 1]" 1
547 1 17 ILE H 1 19 PHE QD 3.812 . 5.629 5.539 5.173 5.771 0.142 1 0 "[ . 1]" 1
548 1 19 PHE QD 1 39 SER H 3.846 . 5.695 5.164 4.885 5.378 . 0 0 "[ . 1]" 1
549 1 19 PHE QD 1 41 CYS H 3.147 . 4.385 4.054 3.749 4.339 . 0 0 "[ . 1]" 1
550 1 19 PHE H 1 19 PHE QD 2.709 . 3.626 3.100 2.897 3.280 . 0 0 "[ . 1]" 1
551 1 29 TRP HZ3 1 31 GLY H 4.059 . 6.118 3.248 3.114 3.377 . 0 0 "[ . 1]" 1
552 1 29 TRP HZ3 1 30 ILE MG 4.255 . 6.519 5.767 5.625 5.917 . 0 0 "[ . 1]" 1
553 1 29 TRP HZ3 1 31 GLY HA3 4.019 . 6.038 5.467 5.348 5.591 . 0 0 "[ . 1]" 1
554 1 29 TRP HH2 1 29 TRP HZ3 2.038 . 2.557 2.442 2.440 2.445 . 0 0 "[ . 1]" 1
555 1 29 TRP HZ3 1 30 ILE H 4.166 . 6.336 6.309 6.227 6.353 0.017 4 0 "[ . 1]" 1
556 1 46 ARG H 1 46 ARG HE 4.151 . 6.305 5.255 4.683 6.476 0.171 5 0 "[ . 1]" 1
557 1 28 TYR HA 1 45 TRP HZ3 3.910 . 5.821 2.869 2.422 3.380 . 0 0 "[ . 1]" 1
558 1 26 PRO HA 1 45 TRP HZ3 4.202 . 6.409 4.277 3.765 4.825 . 0 0 "[ . 1]" 1
559 1 5 PRO HA 1 46 ARG HE 4.067 . 6.135 5.271 3.748 6.148 0.013 6 0 "[ . 1]" 1
560 1 28 TYR HB2 1 45 TRP HZ3 4.044 . 6.088 4.748 4.274 5.335 . 0 0 "[ . 1]" 1
561 1 10 THR MG 1 28 TYR QD 4.584 . 7.210 7.325 7.245 7.453 0.243 2 0 "[ . 1]" 1
562 1 28 TYR QD 1 30 ILE HB 4.241 . 6.489 4.886 4.763 5.067 . 0 0 "[ . 1]" 1
563 1 28 TYR QD 1 41 CYS HB2 4.293 . 6.597 6.279 6.107 6.479 . 0 0 "[ . 1]" 1
564 1 28 TYR QD 1 45 TRP HB3 4.301 . 6.613 5.048 4.855 5.137 . 0 0 "[ . 1]" 1
565 1 28 TYR QD 1 29 TRP HB3 4.141 . 6.284 5.790 5.600 5.996 . 0 0 "[ . 1]" 1
566 1 28 TYR QD 1 44 GLY HA2 3.228 . 4.531 4.600 4.554 4.688 0.157 7 0 "[ . 1]" 1
567 1 14 ARG HA 1 14 ARG HE 4.499 . 7.029 4.021 1.783 5.801 0.186 10 0 "[ . 1]" 1
568 1 27 TYR HA 1 28 TYR QD 3.103 . 4.306 3.305 3.168 3.423 . 0 0 "[ . 1]" 1
569 1 28 TYR QD 1 45 TRP H 4.092 . 6.185 3.692 3.434 3.829 . 0 0 "[ . 1]" 1
570 1 28 TYR QD 1 46 ARG H 4.239 . 6.485 2.886 2.694 3.203 . 0 0 "[ . 1]" 1
571 1 28 TYR QD 1 44 GLY H 3.248 . 4.567 3.822 3.713 3.927 . 0 0 "[ . 1]" 1
572 1 28 TYR QD 1 30 ILE H 3.960 . 5.920 4.732 4.560 4.858 . 0 0 "[ . 1]" 1
573 1 28 TYR QD 1 43 ARG H 3.955 . 5.910 5.946 5.886 5.974 0.064 8 0 "[ . 1]" 1
574 1 28 TYR H 1 28 TYR QD 2.534 . 3.337 2.311 2.210 2.449 . 0 0 "[ . 1]" 1
575 1 34 ASN H 1 34 ASN QD 4.371 . 6.760 4.437 4.278 4.857 . 0 0 "[ . 1]" 1
576 1 27 TYR QD 1 28 TYR H 3.240 . 4.552 4.158 3.974 4.278 . 0 0 "[ . 1]" 1
577 1 27 TYR QD 1 42 ALA H 3.392 . 4.830 4.187 3.857 4.724 . 0 0 "[ . 1]" 1
578 1 27 TYR QD 1 43 ARG H 3.139 . 4.371 3.326 3.115 3.550 . 0 0 "[ . 1]" 1
579 1 27 TYR QE 1 43 ARG H 3.276 . 4.617 3.879 3.672 4.047 . 0 0 "[ . 1]" 1
580 1 27 TYR QD 1 44 GLY H 4.031 . 6.062 3.524 3.385 3.689 . 0 0 "[ . 1]" 1
581 1 24 ARG H 1 27 TYR QD 3.406 . 4.856 3.522 3.298 3.874 . 0 0 "[ . 1]" 1
582 1 19 PHE HZ 1 27 TYR QD 3.470 . 4.975 3.487 3.196 3.856 . 0 0 "[ . 1]" 1
583 1 19 PHE HZ 1 27 TYR QE 3.294 . 4.651 2.749 2.657 2.918 . 0 0 "[ . 1]" 1
584 1 33 CYS HB3 1 34 ASN QD 4.103 . 6.207 4.128 3.951 4.885 . 0 0 "[ . 1]" 1
585 1 35 ASN HB2 1 35 ASN HD22 2.861 . 3.884 3.565 3.466 4.052 0.168 1 0 "[ . 1]" 1
586 1 23 CYS QB 1 27 TYR QD 3.789 . 5.584 3.802 3.392 4.062 . 0 0 "[ . 1]" 1
587 1 26 PRO HB3 1 27 TYR QD 4.360 . 6.737 5.525 5.173 5.615 . 0 0 "[ . 1]" 1
588 1 26 PRO HG3 1 27 TYR QD 4.366 . 6.749 5.567 5.212 5.692 . 0 0 "[ . 1]" 1
589 1 27 TYR QD 1 43 ARG HG2 3.489 . 5.011 4.471 3.490 5.049 0.038 1 0 "[ . 1]" 1
590 1 17 ILE MG 1 27 TYR QD 3.584 . 5.189 3.992 3.795 4.229 . 0 0 "[ . 1]" 1
591 1 19 PHE QE 1 41 CYS HB3 3.319 . 4.696 4.228 3.758 4.720 0.024 7 0 "[ . 1]" 1
592 1 19 PHE QE 1 20 PRO HD2 3.914 . 5.829 4.892 4.692 5.072 . 0 0 "[ . 1]" 1
593 1 19 PHE QE 1 24 ARG H 4.183 . 6.371 5.001 4.650 5.450 . 0 0 "[ . 1]" 1
594 1 17 ILE H 1 19 PHE QE 3.812 . 5.628 5.572 5.217 5.711 0.083 5 0 "[ . 1]" 1
595 1 19 PHE QE 1 28 TYR H 4.249 . 6.506 5.934 5.514 6.291 . 0 0 "[ . 1]" 1
596 1 19 PHE H 1 19 PHE QE 4.434 . 6.892 5.074 4.882 5.223 . 0 0 "[ . 1]" 1
597 1 28 TYR QE 1 46 ARG QB 4.281 . 6.572 3.114 2.921 3.415 . 0 0 "[ . 1]" 1
598 1 28 TYR QE 1 30 ILE HB 3.805 . 5.615 4.690 4.507 4.860 . 0 0 "[ . 1]" 1
599 1 28 TYR QE 1 46 ARG H 4.124 . 6.250 3.956 3.691 4.607 . 0 0 "[ . 1]" 1
600 1 28 TYR QE 1 44 GLY H 3.241 . 4.554 4.234 3.922 4.508 . 0 0 "[ . 1]" 1
601 1 28 TYR QE 1 43 ARG H 4.048 . 6.096 5.070 4.937 5.356 . 0 0 "[ . 1]" 1
602 1 28 TYR H 1 28 TYR QE 3.508 . 5.047 3.907 3.812 4.005 . 0 0 "[ . 1]" 1
603 1 19 PHE HZ 1 41 CYS HB2 4.064 . 6.128 5.639 5.123 6.064 . 0 0 "[ . 1]" 1
604 1 19 PHE HZ 1 24 ARG H 4.178 . 6.360 5.599 5.160 6.094 . 0 0 "[ . 1]" 1
605 1 31 GLY H 1 32 THR HA 4.278 . 6.565 5.457 5.364 5.502 . 0 0 "[ . 1]" 1
606 1 29 TRP HB3 1 31 GLY H 4.137 . 6.277 5.087 4.943 5.241 . 0 0 "[ . 1]" 1
607 1 29 TRP HB2 1 31 GLY H 4.194 . 6.393 5.993 5.882 6.089 . 0 0 "[ . 1]" 1
608 1 22 ILE H 1 39 SER HG 4.280 . 6.570 4.514 3.722 5.327 . 0 0 "[ . 1]" 1
609 1 21 GLY H 1 39 SER HG 4.429 . 6.881 4.407 3.156 5.714 . 0 0 "[ . 1]" 1
610 1 39 SER HG 1 40 CYS H 4.048 . 6.097 4.992 4.427 5.443 . 0 0 "[ . 1]" 1
611 1 23 CYS H 1 39 SER HG 4.027 . 6.054 3.415 2.913 3.957 . 0 0 "[ . 1]" 1
612 1 22 ILE MG 1 39 SER HG 4.133 . 6.268 4.261 2.794 5.565 . 0 0 "[ . 1]" 1
613 1 41 CYS HA 1 42 ALA HA 3.951 . 5.903 4.434 4.329 4.542 . 0 0 "[ . 1]" 1
614 1 40 CYS HA 1 41 CYS HA 4.113 . 6.228 4.381 4.349 4.433 . 0 0 "[ . 1]" 1
615 1 23 CYS QB 1 41 CYS HA 4.073 . 6.147 4.645 4.241 5.039 . 0 0 "[ . 1]" 1
616 1 30 ILE MD 1 41 CYS HA 4.173 . 6.350 3.329 3.087 3.488 . 0 0 "[ . 1]" 1
617 1 18 CYS HA 1 41 CYS H 3.144 . 4.379 2.983 2.647 3.209 . 0 0 "[ . 1]" 1
618 1 18 CYS H 1 18 CYS HA 2.763 . 3.717 2.935 2.921 2.953 . 0 0 "[ . 1]" 1
619 1 18 CYS HA 1 39 SER QB 4.226 . 6.459 5.287 5.026 5.518 . 0 0 "[ . 1]" 1
620 1 17 ILE MG 1 41 CYS H 3.836 . 5.675 4.082 3.716 4.233 . 0 0 "[ . 1]" 1
621 1 30 ILE MD 1 41 CYS H 4.094 . 6.189 4.442 4.037 4.860 . 0 0 "[ . 1]" 1
622 1 17 ILE MD 1 41 CYS H 4.363 . 6.743 6.317 5.905 6.625 . 0 0 "[ . 1]" 1
623 1 40 CYS HB2 1 41 CYS H 3.651 . 5.317 4.458 4.338 4.590 . 0 0 "[ . 1]" 1
624 1 17 ILE H 1 17 ILE MG 3.103 . 4.306 3.853 3.791 3.937 . 0 0 "[ . 1]" 1
625 1 16 GLY H 1 17 ILE MG 4.227 . 6.460 5.623 5.445 6.010 . 0 0 "[ . 1]" 1
626 1 17 ILE MD 1 17 ILE MG 2.440 . 3.184 1.886 1.865 1.944 . 0 0 "[ . 1]" 1
627 1 17 ILE HB 1 17 ILE MG 2.193 . 2.794 2.128 2.124 2.133 . 0 0 "[ . 1]" 1
628 1 17 ILE MG 1 41 CYS HB2 3.963 . 5.926 3.691 3.458 3.992 . 0 0 "[ . 1]" 1
629 1 17 ILE MG 1 19 PHE HB2 3.195 . 4.471 3.800 3.645 3.983 . 0 0 "[ . 1]" 1
630 1 17 ILE HA 1 17 ILE MG 2.346 . 3.034 2.593 2.457 2.706 . 0 0 "[ . 1]" 1
631 1 17 ILE MG 1 40 CYS HA 3.620 . 5.258 5.203 4.811 5.360 0.102 7 0 "[ . 1]" 1
632 1 17 ILE MG 1 19 PHE HB3 4.013 . 6.027 4.421 4.233 4.692 . 0 0 "[ . 1]" 1
633 1 11 CYS HA 1 30 ILE QG 4.172 . 6.348 2.755 2.337 3.384 . 0 0 "[ . 1]" 1
634 1 30 ILE HA 1 30 ILE MD 4.009 . 6.018 4.197 4.133 4.212 . 0 0 "[ . 1]" 1
635 1 16 GLY HA2 1 30 ILE MD 3.857 . 5.717 5.502 4.449 5.768 0.051 3 0 "[ . 1]" 1
636 1 11 CYS HA 1 30 ILE MD 3.387 . 4.821 2.483 2.066 3.798 . 0 0 "[ . 1]" 1
637 1 26 PRO HA 1 26 PRO HG2 3.352 . 4.757 4.068 3.781 4.113 . 0 0 "[ . 1]" 1
638 1 16 GLY HA2 1 42 ALA MB 3.553 . 5.131 3.342 3.080 3.789 . 0 0 "[ . 1]" 1
639 1 4 ILE MD 1 5 PRO HD3 3.433 . 4.906 3.667 3.205 4.176 . 0 0 "[ . 1]" 1
640 1 30 ILE MD 1 40 CYS HB2 3.938 . 5.876 5.385 5.046 5.879 0.003 2 0 "[ . 1]" 1
641 1 16 GLY HA3 1 42 ALA MB 3.233 . 4.540 2.175 1.943 2.704 . 0 0 "[ . 1]" 1
642 1 16 GLY HA3 1 17 ILE MG 4.306 . 6.624 5.684 5.620 5.730 . 0 0 "[ . 1]" 1
643 1 16 GLY HA3 1 17 ILE HB 4.234 . 6.475 4.740 4.636 4.871 . 0 0 "[ . 1]" 1
644 1 8 ILE HA 1 9 ASP HA 3.599 . 5.218 4.380 4.343 4.399 . 0 0 "[ . 1]" 1
645 1 32 THR HA 1 32 THR HB 2.225 . 2.844 2.640 2.521 2.883 0.039 1 0 "[ . 1]" 1
646 1 39 SER HA 1 39 SER QB 2.579 . 3.410 2.256 2.157 2.487 . 0 0 "[ . 1]" 1
647 1 19 PHE HA 1 20 PRO HD3 2.248 . 2.880 2.291 2.162 2.469 . 0 0 "[ . 1]" 1
648 1 19 PHE HA 1 20 PRO HD2 2.316 . 2.986 2.231 2.048 2.425 . 0 0 "[ . 1]" 1
649 1 6 ARG HA 1 7 PRO HD2 2.267 . 2.909 2.723 2.094 3.098 0.189 1 0 "[ . 1]" 1
650 1 6 ARG HA 1 7 PRO HD3 2.361 . 3.058 2.465 2.177 2.913 . 0 0 "[ . 1]" 1
651 1 25 ARG HA 1 26 PRO HA 2.101 . 2.653 1.892 1.810 2.165 . 0 0 "[ . 1]" 1
652 1 29 TRP HA 1 29 TRP HB3 2.713 . 3.633 3.026 3.021 3.032 . 0 0 "[ . 1]" 1
653 1 29 TRP HA 1 29 TRP HB2 2.571 . 3.397 2.461 2.423 2.494 . 0 0 "[ . 1]" 1
654 1 28 TYR HA 1 29 TRP HB3 3.406 . 4.856 4.539 4.460 4.611 . 0 0 "[ . 1]" 1
655 1 28 TYR HA 1 29 TRP HB2 3.306 . 4.672 4.393 4.308 4.434 . 0 0 "[ . 1]" 1
656 1 9 ASP HA 1 9 ASP HB3 2.796 . 3.773 2.610 2.432 2.987 . 0 0 "[ . 1]" 1
657 1 23 CYS QB 1 29 TRP HA 3.852 . 5.707 3.591 3.179 3.890 . 0 0 "[ . 1]" 1
658 1 23 CYS QB 1 25 ARG HA 3.621 . 5.260 4.952 4.437 5.193 . 0 0 "[ . 1]" 1
659 1 5 PRO HB2 1 47 SER HA 3.925 . 5.850 2.847 2.282 3.376 . 0 0 "[ . 1]" 1
660 1 22 ILE HG12 1 23 CYS HA 4.030 . 6.060 5.888 5.656 6.067 0.007 2 0 "[ . 1]" 1
661 1 21 GLY HA3 1 22 ILE MG 3.677 . 5.367 4.023 3.934 4.143 . 0 0 "[ . 1]" 1
662 1 21 GLY HA3 1 22 ILE HG12 3.571 . 5.165 3.797 3.453 4.031 . 0 0 "[ . 1]" 1
663 1 21 GLY HA3 1 22 ILE HG13 4.092 . 6.185 4.809 4.603 4.996 . 0 0 "[ . 1]" 1
664 1 22 ILE HB 1 22 ILE HG12 2.637 . 3.506 3.026 3.024 3.028 . 0 0 "[ . 1]" 1
665 1 17 ILE MD 1 43 ARG HB2 2.752 . 3.699 3.455 2.708 3.787 0.088 3 0 "[ . 1]" 1
666 1 22 ILE HG13 1 22 ILE MG 2.926 . 3.996 3.209 3.207 3.212 . 0 0 "[ . 1]" 1
667 1 22 ILE HG12 1 22 ILE MG 2.752 . 3.699 2.394 2.370 2.426 . 0 0 "[ . 1]" 1
668 1 30 ILE MD 1 30 ILE MG 2.100 . 2.651 1.970 1.824 2.050 . 0 0 "[ . 1]" 1
669 1 30 ILE MD 1 42 ALA MB 2.239 . 2.865 2.186 1.928 2.418 . 0 0 "[ . 1]" 1
670 1 14 ARG HA 1 30 ILE MD 3.626 . 5.270 3.390 2.777 5.281 0.011 2 0 "[ . 1]" 1
671 1 23 CYS QB 1 29 TRP HB3 3.648 . 5.312 4.602 4.060 5.105 . 0 0 "[ . 1]" 1
672 1 23 CYS QB 1 29 TRP HB2 3.297 . 4.656 3.155 2.495 3.805 . 0 0 "[ . 1]" 1
673 1 33 CYS HB3 1 34 ASN HB3 3.898 . 5.798 5.643 5.395 6.436 0.638 3 1 "[ + . 1]" 1
674 1 23 CYS QB 1 27 TYR HB3 3.072 . 4.251 2.710 2.375 3.084 . 0 0 "[ . 1]" 1
675 1 23 CYS QB 1 41 CYS HB3 3.530 . 5.087 2.885 2.173 3.571 . 0 0 "[ . 1]" 1
676 1 1 PCA HB3 1 2 PRO HD2 3.946 . 5.893 4.475 4.163 4.916 . 0 0 "[ . 1]" 1
677 1 5 PRO HB2 1 5 PRO HD3 3.500 . 5.032 3.869 3.844 3.900 . 0 0 "[ . 1]" 1
678 1 7 PRO HB3 1 7 PRO HD3 3.543 . 5.112 3.749 3.066 4.054 . 0 0 "[ . 1]" 1
679 1 12 ARG QD 1 13 LEU QD 3.938 . 5.876 3.134 1.966 3.703 0.034 10 0 "[ . 1]" 1
680 1 15 ASN HB3 1 42 ALA MB 4.123 . 6.248 6.104 5.493 6.926 0.678 3 1 "[ + . 1]" 1
681 1 41 CYS HB3 1 42 ALA MB 3.942 . 5.884 4.686 4.456 5.151 . 0 0 "[ . 1]" 1
682 1 28 TYR HB3 1 42 ALA MB 3.906 . 5.813 5.688 5.327 5.853 0.040 1 0 "[ . 1]" 1
683 1 9 ASP HB2 1 13 LEU QD 3.717 . 5.444 2.430 1.912 2.967 0.078 2 0 "[ . 1]" 1
684 1 5 PRO HB3 1 8 ILE MD 3.874 . 5.750 5.855 5.284 6.322 0.572 3 1 "[ + . 1]" 1
685 1 30 ILE MD 1 40 CYS HB3 3.848 . 5.699 4.640 4.370 4.867 . 0 0 "[ . 1]" 1
686 1 14 ARG HD2 1 30 ILE QG 3.783 . 5.572 5.118 4.345 6.290 0.718 4 2 "[ +. - 1]" 1
687 1 43 ARG HA 1 43 ARG HD2 3.529 . 5.086 4.455 4.143 4.837 . 0 0 "[ . 1]" 1
688 1 9 ASP HB3 1 12 ARG QG 3.942 . 5.885 2.675 2.329 3.970 . 0 0 "[ . 1]" 1
689 1 43 ARG HB3 1 43 ARG HD2 3.305 . 4.670 2.951 2.292 3.738 . 0 0 "[ . 1]" 1
690 1 28 TYR HB3 1 30 ILE MG 3.821 . 5.646 4.881 4.714 5.108 . 0 0 "[ . 1]" 1
691 1 31 GLY HA3 1 40 CYS HB3 3.488 . 5.008 3.390 3.204 3.610 . 0 0 "[ . 1]" 1
692 1 5 PRO HB2 1 5 PRO HD2 3.232 . 4.538 3.721 2.924 4.063 . 0 0 "[ . 1]" 1
693 1 33 CYS HB2 1 40 CYS HB3 3.264 . 4.596 3.732 3.618 3.945 . 0 0 "[ . 1]" 1
694 1 33 CYS HB3 1 40 CYS HB2 3.382 . 4.811 3.821 3.329 4.309 . 0 0 "[ . 1]" 1
695 1 34 ASN HB2 1 37 ILE HB 3.449 . 4.936 3.994 3.474 4.949 0.013 8 0 "[ . 1]" 1
696 1 4 ILE HA 1 5 PRO HD2 1.924 . 2.387 1.940 1.758 2.413 0.026 5 0 "[ . 1]" 1
697 1 42 ALA MB 1 44 GLY HA2 4.120 . 6.242 6.092 5.855 6.201 . 0 0 "[ . 1]" 1
698 1 3 PHE HA 1 3 PHE QD 3.098 . 4.297 3.507 3.475 3.534 . 0 0 "[ . 1]" 1
699 1 15 ASN H 1 15 ASN HA 1.981 . 2.471 2.122 2.075 2.181 . 0 0 "[ . 1]" 1
700 1 47 SER H 1 47 SER QB 2.978 . 4.086 3.108 2.946 3.365 . 0 0 "[ . 1]" 1
701 1 26 PRO QD 1 27 TYR QD 2.592 . 3.432 3.312 3.083 3.442 0.010 3 0 "[ . 1]" 1
702 1 26 PRO QD 1 27 TYR QE 2.606 . 3.455 2.553 1.795 2.736 . 0 0 "[ . 1]" 1
703 1 3 PHE QD 1 6 ARG QD 2.815 . 3.806 3.803 3.667 3.890 0.084 7 0 "[ . 1]" 1
704 1 11 CYS QB 1 12 ARG H 2.514 . 3.304 3.385 3.245 3.460 0.156 2 0 "[ . 1]" 1
705 1 11 CYS H 1 11 CYS QB 2.278 . 2.927 2.230 2.152 2.614 . 0 0 "[ . 1]" 1
706 1 34 ASN HB2 1 35 ASN H 3.126 . 4.348 2.708 1.773 3.728 0.131 9 0 "[ . 1]" 1
707 1 8 ILE H 1 46 ARG QD 2.729 . 3.660 3.704 3.588 3.776 0.116 5 0 "[ . 1]" 1
708 1 28 TYR H 1 28 TYR HB3 2.795 . 3.772 2.836 2.666 2.975 . 0 0 "[ . 1]" 1
709 1 18 CYS H 1 18 CYS QB 2.166 . 2.752 2.328 2.245 2.438 . 0 0 "[ . 1]" 1
710 1 34 ASN QD 1 37 ILE HB 2.392 . 3.107 2.993 2.412 3.269 0.162 2 0 "[ . 1]" 1
711 1 6 ARG H 1 6 ARG QB 2.776 . 3.739 2.450 2.238 2.568 . 0 0 "[ . 1]" 1
712 1 12 ARG H 1 12 ARG QB 2.176 . 2.768 2.378 1.985 2.604 . 0 0 "[ . 1]" 1
713 1 24 ARG H 1 24 ARG QB 2.901 . 3.953 3.088 2.972 3.246 . 0 0 "[ . 1]" 1
714 1 25 ARG QB 1 27 TYR H 3.234 . 4.541 4.021 3.049 4.340 . 0 0 "[ . 1]" 1
715 1 14 ARG H 1 14 ARG QG 2.651 . 3.529 3.530 1.767 3.955 0.426 4 0 "[ . 1]" 1
716 1 6 ARG H 1 6 ARG QG 2.416 . 3.146 2.589 1.954 3.096 . 0 0 "[ . 1]" 1
717 1 13 LEU H 1 13 LEU HB3 2.507 . 3.292 3.350 3.282 3.409 0.117 10 0 "[ . 1]" 1
718 1 24 ARG H 1 24 ARG QG 2.280 . 2.930 2.186 2.042 2.334 . 0 0 "[ . 1]" 1
719 1 46 ARG H 1 46 ARG QG 3.113 . 4.324 3.906 3.576 4.058 . 0 0 "[ . 1]" 1
720 1 8 ILE H 1 46 ARG QG 3.167 . 4.421 4.308 3.877 4.492 0.071 5 0 "[ . 1]" 1
721 1 42 ALA MB 1 44 GLY H 3.114 . 4.326 3.785 3.170 4.414 0.088 3 0 "[ . 1]" 1
722 1 27 TYR QD 1 42 ALA MB 2.771 . 3.731 3.932 3.622 4.294 0.563 9 3 "[ * . -+1]" 1
723 1 17 ILE H 1 17 ILE QG 3.091 . 4.285 3.688 3.487 3.797 . 0 0 "[ . 1]" 1
724 1 18 CYS HA 1 18 CYS QB 2.225 . 2.844 2.395 2.285 2.525 . 0 0 "[ . 1]" 1
725 1 20 PRO QB 1 20 PRO HD3 2.920 . 3.986 3.113 2.970 3.226 . 0 0 "[ . 1]" 1
726 1 26 PRO QD 1 26 PRO HG3 2.595 . 3.437 2.250 2.184 2.269 . 0 0 "[ . 1]" 1
727 1 20 PRO HD2 1 20 PRO QG 2.229 . 2.850 2.176 2.174 2.180 . 0 0 "[ . 1]" 1
728 1 20 PRO HD3 1 20 PRO QG 2.201 . 2.807 2.199 2.185 2.221 . 0 0 "[ . 1]" 1
729 1 14 ARG HB3 1 14 ARG QD 2.861 . 3.884 3.084 2.226 3.489 . 0 0 "[ . 1]" 1
730 1 7 PRO HD3 1 7 PRO QG 2.539 . 3.345 2.201 2.180 2.251 . 0 0 "[ . 1]" 1
731 1 12 ARG QB 1 12 ARG QD 2.949 . 3.680 2.051 1.990 2.149 . 0 0 "[ . 1]" 1
732 1 24 ARG HA 1 24 ARG QB 2.993 . 4.113 2.169 2.154 2.180 . 0 0 "[ . 1]" 1
733 1 12 ARG HA 1 12 ARG QB 2.179 . 2.772 2.183 2.139 2.471 . 0 0 "[ . 1]" 1
734 1 24 ARG QB 1 24 ARG QD 2.718 . 3.642 2.243 2.105 2.341 . 0 0 "[ . 1]" 1
735 1 25 ARG QB 1 26 PRO HA 2.268 . 2.911 2.810 1.872 2.963 0.052 7 0 "[ . 1]" 1
736 1 14 ARG HA 1 14 ARG QG 2.811 . 3.799 2.760 2.239 3.407 . 0 0 "[ . 1]" 1
737 1 25 ARG HA 1 25 ARG QB 2.160 . 2.743 2.481 2.175 2.539 . 0 0 "[ . 1]" 1
738 1 25 ARG QB 1 25 ARG QD 2.244 . 2.873 2.256 2.125 2.431 . 0 0 "[ . 1]" 1
739 1 46 ARG QB 1 46 ARG QD 3.190 . 4.462 2.333 2.102 2.606 . 0 0 "[ . 1]" 1
740 1 6 ARG HA 1 6 ARG QG 3.072 . 4.252 2.537 2.321 3.093 . 0 0 "[ . 1]" 1
741 1 6 ARG QG 1 7 PRO HD3 3.262 . 4.592 4.064 3.257 4.659 0.067 2 0 "[ . 1]" 1
742 1 24 ARG QD 1 24 ARG QG 2.263 . 2.903 2.037 1.995 2.090 . 0 0 "[ . 1]" 1
743 1 24 ARG HA 1 24 ARG QG 2.749 . 3.693 3.329 3.275 3.349 . 0 0 "[ . 1]" 1
744 1 23 CYS HA 1 24 ARG QG 2.955 . 4.047 3.643 3.156 3.913 . 0 0 "[ . 1]" 1
745 1 14 ARG HB2 1 14 ARG QD 2.363 . 3.061 2.721 2.235 3.436 0.375 5 0 "[ . 1]" 1
746 1 25 ARG QG 1 26 PRO HA 2.966 . 4.066 2.843 1.914 3.745 . 0 0 "[ . 1]" 1
747 1 46 ARG HA 1 46 ARG QG 2.936 . 4.014 2.585 2.214 3.033 . 0 0 "[ . 1]" 1
748 1 26 PRO QD 1 26 PRO HG2 2.354 . 3.047 2.201 2.192 2.223 . 0 0 "[ . 1]" 1
749 1 17 ILE HA 1 17 ILE QG 2.883 . 3.922 2.450 2.156 2.883 . 0 0 "[ . 1]" 1
750 1 25 ARG HA 1 25 ARG QD 2.853 . 3.871 3.140 1.890 3.998 0.127 6 0 "[ . 1]" 1
751 1 19 PHE H 1 20 PRO HD3 3.497 . 5.026 4.347 4.190 4.489 . 0 0 "[ . 1]" 1
752 1 1 PCA HB2 1 3 PHE H 3.903 . 5.807 3.181 3.040 3.272 . 0 0 "[ . 1]" 1
753 1 30 ILE QG 1 40 CYS H 3.538 . 5.102 4.779 4.602 4.940 . 0 0 "[ . 1]" 1
754 1 25 ARG QG 1 27 TYR H 3.736 . 5.481 3.678 2.879 4.745 . 0 0 "[ . 1]" 1
755 1 17 ILE QG 1 41 CYS H 4.137 . 6.276 5.881 5.327 6.283 0.007 7 0 "[ . 1]" 1
756 1 30 ILE QG 1 41 CYS H 4.006 . 6.012 3.851 3.608 4.164 . 0 0 "[ . 1]" 1
757 1 13 LEU QD 1 14 ARG H 3.492 . 5.016 3.775 3.272 4.334 . 0 0 "[ . 1]" 1
758 1 28 TYR QD 1 30 ILE QG 3.851 . 5.705 4.010 3.689 4.454 . 0 0 "[ . 1]" 1
759 1 27 TYR HA 1 42 ALA MB 3.787 . 5.579 4.555 4.312 4.930 . 0 0 "[ . 1]" 1
760 1 18 CYS HA 1 20 PRO HD3 3.970 . 5.940 5.170 4.933 5.412 . 0 0 "[ . 1]" 1
761 1 15 ASN HA 1 15 ASN HD22 3.664 . 5.342 3.727 3.432 3.883 . 0 0 "[ . 1]" 1
762 1 7 PRO HA 1 47 SER QB 3.435 . 4.910 4.534 3.938 4.937 0.027 8 0 "[ . 1]" 1
763 1 25 ARG HA 1 26 PRO QD 3.562 . 5.148 4.044 4.021 4.064 . 0 0 "[ . 1]" 1
764 1 26 PRO HA 1 26 PRO QD 3.210 . 4.498 3.509 3.500 3.518 . 0 0 "[ . 1]" 1
765 1 30 ILE QG 1 40 CYS HB3 2.782 . 3.750 3.251 3.048 3.416 . 0 0 "[ . 1]" 1
766 1 30 ILE HB 1 30 ILE QG 2.509 . 3.296 2.375 2.236 2.414 . 0 0 "[ . 1]" 1
767 1 13 LEU HB3 1 13 LEU MD1 2.181 . 2.776 1.850 1.817 1.879 . 0 0 "[ . 1]" 1
768 1 4 ILE MG 1 6 ARG QG 2.654 . 3.534 2.878 2.486 3.648 0.114 1 0 "[ . 1]" 1
769 1 24 ARG QB 1 24 ARG QG 1.759 . 2.146 2.087 2.085 2.089 . 0 0 "[ . 1]" 1
770 1 1 PCA HB2 1 1 PCA HG2 2.454 . 3.207 2.197 2.193 2.202 . 0 0 "[ . 1]" 1
771 1 20 PRO QB 1 20 PRO QG 1.689 . 2.046 1.963 1.953 1.972 . 0 0 "[ . 1]" 1
772 1 18 CYS QB 1 20 PRO HD3 3.442 . 4.923 4.718 4.183 4.963 0.040 8 0 "[ . 1]" 1
773 1 18 CYS QB 1 33 CYS HB2 3.393 . 4.832 3.712 3.509 4.072 . 0 0 "[ . 1]" 1
774 1 14 ARG HE 1 14 ARG QG 3.796 . 5.597 2.563 2.246 3.146 . 0 0 "[ . 1]" 1
775 1 19 PHE QE 1 24 ARG QG 4.238 . 6.484 5.576 5.360 5.837 . 0 0 "[ . 1]" 1
776 1 24 ARG HG3 1 27 TYR QD 3.633 . 5.283 4.604 4.440 4.715 . 0 0 "[ . 1]" 1
777 1 8 ILE H 1 47 SER QB 3.422 . 4.886 4.254 4.086 4.511 . 0 0 "[ . 1]" 1
778 1 20 PRO HA 1 22 ILE H 3.797 . 5.599 5.404 5.043 5.627 0.028 5 0 "[ . 1]" 1
779 1 20 PRO QB 1 21 GLY H 3.621 . 5.260 3.720 3.687 3.756 . 0 0 "[ . 1]" 1
780 1 19 PHE H 1 20 PRO QG 4.254 . 6.516 6.068 6.008 6.142 . 0 0 "[ . 1]" 1
781 1 45 TRP HE1 1 47 SER QB 4.188 . 6.380 5.153 4.599 5.824 . 0 0 "[ . 1]" 1
782 1 24 ARG HA 1 27 TYR H 4.164 . 6.331 4.554 4.255 4.793 . 0 0 "[ . 1]" 1
783 1 20 PRO QB 1 34 ASN H 4.304 . 6.619 6.743 6.690 7.014 0.395 3 0 "[ . 1]" 1
784 1 33 CYS H 1 34 ASN H 3.966 . 5.933 3.979 2.643 4.304 . 0 0 "[ . 1]" 1
785 1 18 CYS QB 1 34 ASN H 4.427 . 6.876 4.532 4.017 5.645 . 0 0 "[ . 1]" 1
786 1 17 ILE QG 1 18 CYS H 3.563 . 5.149 3.982 3.453 4.641 . 0 0 "[ . 1]" 1
787 1 11 CYS H 1 12 ARG QB 3.541 . 5.109 4.829 4.327 5.052 . 0 0 "[ . 1]" 1
788 1 10 THR H 1 12 ARG QB 3.363 . 4.777 4.104 2.338 4.777 0.000 9 0 "[ . 1]" 1
789 1 9 ASP H 1 46 ARG QG 4.223 . 6.452 4.417 2.960 5.414 . 0 0 "[ . 1]" 1
790 1 6 ARG H 1 8 ILE HG13 3.759 . 5.525 4.463 4.059 4.853 . 0 0 "[ . 1]" 1
791 1 6 ARG H 1 6 ARG QD 4.010 . 6.020 3.888 3.151 4.336 . 0 0 "[ . 1]" 1
792 1 11 CYS QB 1 13 LEU H 3.894 . 5.789 4.938 4.593 5.156 . 0 0 "[ . 1]" 1
793 1 46 ARG QG 1 47 SER H 3.763 . 5.533 2.666 2.267 3.277 . 0 0 "[ . 1]" 1
794 1 46 ARG QD 1 47 SER H 4.590 . 7.223 4.135 2.277 5.090 . 0 0 "[ . 1]" 1
795 1 18 CYS QB 1 33 CYS H 4.036 . 6.072 5.989 5.589 6.181 0.109 5 0 "[ . 1]" 1
796 1 25 ARG QB 1 45 TRP HE3 4.088 . 6.177 5.440 3.774 6.171 . 0 0 "[ . 1]" 1
797 1 3 PHE HZ 1 5 PRO QG 4.142 . 6.287 4.919 3.595 5.506 . 0 0 "[ . 1]" 1
798 1 12 ARG QB 1 12 ARG HE 4.082 . 6.165 3.463 2.319 4.005 . 0 0 "[ . 1]" 1
799 1 14 ARG H 1 14 ARG QD 3.364 . 4.778 4.209 1.928 4.836 0.058 10 0 "[ . 1]" 1
800 1 17 ILE QG 1 19 PHE QD 3.990 . 5.980 5.084 4.359 5.491 . 0 0 "[ . 1]" 1
801 1 19 PHE QD 1 24 ARG QG 4.017 . 6.034 6.022 5.818 6.124 0.090 6 0 "[ . 1]" 1
802 1 19 PHE QD 1 20 PRO QG 3.420 . 4.882 4.471 4.311 4.647 . 0 0 "[ . 1]" 1
803 1 42 ALA MB 1 45 TRP HZ3 4.314 . 6.641 5.465 4.594 6.611 . 0 0 "[ . 1]" 1
804 1 25 ARG QB 1 27 TYR QD 4.369 . 6.755 4.637 4.482 4.782 . 0 0 "[ . 1]" 1
805 1 24 ARG QG 1 27 TYR QE 4.261 . 6.530 5.318 5.099 5.612 . 0 0 "[ . 1]" 1
806 1 17 ILE QG 1 19 PHE QE 3.567 . 5.157 4.043 2.949 4.637 . 0 0 "[ . 1]" 1
807 1 28 TYR QE 1 30 ILE QG 4.338 . 6.690 4.133 3.803 4.400 . 0 0 "[ . 1]" 1
808 1 28 TYR QE 1 46 ARG QG 4.375 . 6.767 4.369 3.528 5.078 . 0 0 "[ . 1]" 1
809 1 17 ILE QG 1 19 PHE HZ 4.232 . 6.470 4.437 3.127 5.482 . 0 0 "[ . 1]" 1
810 1 17 ILE QG 1 17 ILE MG 2.474 . 3.239 2.351 2.276 2.414 . 0 0 "[ . 1]" 1
811 1 16 GLY HA3 1 30 ILE QG 3.733 . 5.475 5.527 4.694 5.665 0.190 7 0 "[ . 1]" 1
812 1 14 ARG QD 1 30 ILE MD 2.736 . 3.672 3.848 3.682 3.929 0.257 7 0 "[ . 1]" 1
813 1 14 ARG QD 1 30 ILE HG12 3.598 . 5.216 4.936 4.299 5.704 0.488 4 0 "[ . 1]" 1
814 1 30 ILE HA 1 30 ILE QG 3.605 . 5.229 3.327 3.288 3.379 . 0 0 "[ . 1]" 1
815 1 14 ARG QG 1 30 ILE MD 3.587 . 5.195 4.683 3.701 5.151 . 0 0 "[ . 1]" 1
816 1 30 ILE MD 1 30 ILE QG 1.662 . 2.007 1.881 1.875 1.884 . 0 0 "[ . 1]" 1
817 1 17 ILE MG 1 18 CYS QB 3.450 . 4.938 3.881 3.784 4.006 . 0 0 "[ . 1]" 1
818 1 5 PRO HA 1 5 PRO QG 3.621 . 5.260 3.265 2.817 3.486 . 0 0 "[ . 1]" 1
819 1 6 ARG QG 1 7 PRO HD2 3.560 . 5.144 3.440 2.871 3.986 . 0 0 "[ . 1]" 1
820 1 30 ILE QG 1 31 GLY HA3 3.716 . 5.442 4.668 4.544 4.743 . 0 0 "[ . 1]" 1
821 1 30 ILE QG 1 41 CYS HB3 3.780 . 5.566 4.097 3.784 4.797 . 0 0 "[ . 1]" 1
822 1 14 ARG QG 1 42 ALA MB 3.718 . 5.446 5.696 5.466 5.802 0.356 8 0 "[ . 1]" 1
823 1 4 ILE HG12 1 6 ARG QG 3.595 . 5.210 5.028 4.214 6.012 0.802 1 1 "[+ . 1]" 1
824 1 30 ILE QG 1 30 ILE MG 2.434 . 3.174 2.319 2.252 2.541 . 0 0 "[ . 1]" 1
825 1 30 ILE QG 1 42 ALA MB 2.840 . 3.848 3.410 3.258 3.556 . 0 0 "[ . 1]" 1
826 1 18 CYS QB 1 33 CYS HB3 3.100 . 4.301 3.531 3.002 3.965 . 0 0 "[ . 1]" 1
827 1 4 ILE MG 1 6 ARG QD 3.923 . 5.847 3.476 2.413 4.333 . 0 0 "[ . 1]" 1
828 1 11 CYS QB 1 30 ILE MG 3.681 . 5.375 5.061 4.704 5.546 0.171 10 0 "[ . 1]" 1
829 1 14 ARG QD 1 42 ALA MB 4.067 . 6.135 5.134 3.721 5.599 . 0 0 "[ . 1]" 1
830 1 47 SER HA 1 47 SER QB 2.307 . 2.972 2.364 2.180 2.447 . 0 0 "[ . 1]" 1
831 1 9 ASP HB3 1 12 ARG QB 3.087 . 4.278 4.181 2.157 4.486 0.208 5 0 "[ . 1]" 1
832 1 20 PRO QB 1 20 PRO HD2 3.066 . 4.241 3.492 3.467 3.517 . 0 0 "[ . 1]" 1
833 1 26 PRO HB3 1 26 PRO QD 3.128 . 4.351 3.440 2.828 3.512 . 0 0 "[ . 1]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 16
_Distance_constraint_stats_list.Viol_count 30
_Distance_constraint_stats_list.Viol_total 20.326
_Distance_constraint_stats_list.Viol_max 0.240
_Distance_constraint_stats_list.Viol_rms 0.0347
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0127
_Distance_constraint_stats_list.Viol_average_violations_only 0.0678
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 16 GLY 1.246 0.240 2 0 "[ . 1]"
1 17 ILE 0.011 0.011 1 0 "[ . 1]"
1 19 PHE 0.109 0.063 8 0 "[ . 1]"
1 31 GLY 0.478 0.072 7 0 "[ . 1]"
1 33 CYS 0.188 0.099 4 0 "[ . 1]"
1 38 GLY 0.188 0.099 4 0 "[ . 1]"
1 39 SER 0.109 0.063 8 0 "[ . 1]"
1 40 CYS 0.478 0.072 7 0 "[ . 1]"
1 41 CYS 0.011 0.011 1 0 "[ . 1]"
1 43 ARG 1.246 0.240 2 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 17 ILE H 1 41 CYS O 2.200 . 2.700 1.941 1.754 2.711 0.011 1 0 "[ . 1]" 2
2 1 17 ILE O 1 41 CYS H 2.200 . 2.700 2.061 1.745 2.253 . 0 0 "[ . 1]" 2
3 1 19 PHE O 1 39 SER H 2.200 . 2.700 1.751 1.667 1.849 0.063 8 0 "[ . 1]" 2
4 1 19 PHE H 1 39 SER O 2.200 . 2.700 1.975 1.804 2.133 . 0 0 "[ . 1]" 2
5 1 17 ILE N 1 41 CYS O 3.200 2.516 3.927 2.772 2.620 3.032 . 0 0 "[ . 1]" 2
6 1 19 PHE O 1 39 SER N 3.200 2.516 3.927 2.661 2.589 2.731 . 0 0 "[ . 1]" 2
7 1 19 PHE N 1 39 SER O 3.200 2.516 3.927 2.908 2.776 3.089 . 0 0 "[ . 1]" 2
8 1 17 ILE O 1 41 CYS N 3.200 2.516 3.927 2.954 2.663 3.145 . 0 0 "[ . 1]" 2
9 1 33 CYS H 1 38 GLY O 2.200 . 2.700 2.094 1.713 2.799 0.099 4 0 "[ . 1]" 2
10 1 31 GLY O 1 40 CYS H 2.200 . 2.700 2.275 1.980 2.456 . 0 0 "[ . 1]" 2
11 1 33 CYS N 1 38 GLY O 3.200 2.516 3.927 3.047 2.693 3.770 . 0 0 "[ . 1]" 2
12 1 33 CYS O 1 38 GLY N 3.200 2.516 3.927 3.384 2.748 3.953 0.026 3 0 "[ . 1]" 2
13 1 31 GLY O 1 40 CYS N 3.200 2.516 3.927 3.068 2.812 3.207 . 0 0 "[ . 1]" 2
14 1 31 GLY N 1 40 CYS O 3.200 2.516 3.927 3.975 3.944 3.999 0.072 7 0 "[ . 1]" 2
15 1 16 GLY O 1 43 ARG H 2.200 . 2.700 2.825 2.785 2.940 0.240 2 0 "[ . 1]" 2
16 1 16 GLY O 1 43 ARG N 3.200 2.516 3.927 3.673 3.558 3.862 . 0 0 "[ . 1]" 2
stop_
save_
Contact the webmaster for help, if required. Thursday, May 23, 2024 11:00:02 AM GMT (wattos1)